diff --git a/README_main_benchmark.md b/README_main_benchmark.md new file mode 100644 index 0000000000000000000000000000000000000000..e264be4e867324a0c6420d78314fd7afcf7a6877 --- /dev/null +++ b/README_main_benchmark.md @@ -0,0 +1,50 @@ +# Main_benchmark benchmark — scoring scripts + reference structures + +Two-state / multi-conformer benchmark of 60 cases across four patterns +(FS fold-switch, AL allosteric, ID disorder-to-order, OL oligomer), 6 MSA-subsampling +methods each. This package ships the **scoring code** and the **per-case reference +structures + region definitions** so predictions can be scored and the benchmark +tables regenerated on CPU. The AlphaFold2 prediction PDBs (~16 GB) are **not** +distributed here — bring your own, or score the reference set. + +## Contents + +- `eval/main_benchmark_evaluate.py` — per-prediction scorer. For each state (a, b): + Cα RMSD on the common core, optional TM-score, and `hit_primary` (§9.1 binding + 3-condition: RMSD ≤ 3 Å on common core AND mean pLDDT ≥ 70 AND switch-region + pLDDT ≥ 70). Pure CPU: `numpy`, `biopython`, `pyyaml`. TMalign optional (extra + columns only). +- `eval/aggregate_main_benchmark.py` — aggregate per-(case, method) `evals.tsv` into + `main_table.csv` (per case×method hit counts/rates) and `pattern_summary.csv` + (per pattern×method means). +- `bench/main_benchmark/structures//{state_a,state_b}.pdb` — 60 cases, 120 references. +- `bench/main_benchmark/annotations//state_region_FINAL.tsv` — common-core and + switch-region residue indices (evaluator input only; oracle annotation, not a feature). +- `bench/main_benchmark/cases.yaml` — case metadata. + +## Usage + +```bash +pip install numpy biopython pyyaml # TMalign optional + +# Score one case×method directory of prediction PDBs: +python eval/main_benchmark_evaluate.py \ + --case SFB_FS_A1AT_1QLPA_1OPHA \ + --root /path/to/predictions///refine_per_state \ + --out evals.tsv + +# Aggregate a full results tree (SF_MAIN_BENCH_RESULTS///refine_per_state/evals.tsv): +SF_MAIN_BENCH_RESULTS=/path/to/results python eval/aggregate_main_benchmark.py +``` + +`SF_MAIN_BENCH_DATA` defaults to the bundled `bench/main_benchmark` (structures + annotations + +cases.yaml); override to point elsewhere. `SF_MAIN_BENCH_RESULTS` supplies the predictions tree. + +## Verification + +The scorer is deterministic. Re-scoring the internal prediction set reproduces the +published hit flags exactly (2594/2594 predictions across a 12-case stratified sample; +`main_table` → `pattern_summary` aggregation reproduces 24/24 rows; `main_table` hit +counts reproduce from `evals.tsv` 360/360). Headline: mosaic-SF beats AF-Cluster by +~5–18 pp across patterns but is statistically indistinguishable from depth-matched +random subsampling. diff --git a/bench/main_benchmark/annotations/SFB_AL_AKE_4AKEA_1AKEA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_AKE_4AKEA_1AKEA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..357b55555d1c2de2cba5b536c81d79b6255e8d85 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_AKE_4AKEA_1AKEA/state_region_BLIND_proxy.tsv @@ -0,0 +1,218 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 1 0 +4 1 0 +5 1 0 +6 1 0 +7 0 0 +8 0 0 +9 0 0 +10 0 0 +11 0 0 +12 0 0 +13 0 0 +14 0 0 +15 0 0 +16 0 0 +17 0 0 +18 0 1 +19 0 1 +20 1 0 +21 0 1 +22 0 0 +23 0 1 +24 0 0 +25 0 0 +26 1 0 +27 0 0 +28 0 0 +29 1 0 +30 0 0 +31 0 0 +32 0 0 +33 0 0 +34 0 0 +35 1 0 +36 0 0 +37 0 0 +38 0 0 +39 1 0 +40 0 0 +41 0 1 +42 0 0 +43 0 0 +44 1 0 +45 1 0 +46 0 0 +47 0 1 +48 0 1 +49 0 0 +50 0 0 +51 0 1 +52 1 0 +53 0 0 +54 1 0 +55 0 1 +56 0 0 +57 0 1 +58 0 0 +59 1 0 +60 0 0 +61 0 0 +62 0 0 +63 1 0 +64 1 0 +65 1 0 +66 0 1 +67 1 0 +68 1 0 +69 0 1 +70 0 0 +71 0 0 +72 1 0 +73 0 1 +74 0 1 +75 0 1 +76 0 0 +77 1 0 +78 1 1 +79 0 1 +80 0 0 +81 1 0 +82 1 0 +83 1 0 +84 0 0 +85 0 0 +86 1 0 +87 0 0 +88 0 0 +89 0 0 +90 1 0 +91 0 1 +92 0 0 +93 0 0 +94 0 0 +95 0 0 +96 0 0 +97 0 0 +98 0 0 +99 0 1 +100 0 0 +101 1 1 +102 0 1 +103 1 0 +104 0 0 +105 0 1 +106 1 0 +107 1 0 +108 0 1 +109 1 0 +110 0 0 +111 1 0 +112 0 0 +113 0 0 +114 0 0 +115 0 0 +116 1 0 +117 1 0 +118 0 1 +119 0 0 +120 1 0 +121 0 1 +122 0 0 +123 0 0 +124 0 0 +125 1 1 +126 0 0 +127 0 1 +128 0 1 +129 0 0 +130 0 0 +131 0 0 +132 1 0 +133 0 0 +134 0 0 +135 1 0 +136 0 1 +137 0 0 +138 0 0 +139 0 0 +140 0 0 +141 1 0 +142 0 1 +143 1 0 +144 0 0 +145 0 0 +146 0 0 +147 0 0 +148 0 1 +149 0 0 +150 0 0 +151 0 0 +152 0 1 +153 0 0 +154 0 1 +155 0 0 +156 1 0 +157 0 1 +158 0 0 +159 0 0 +160 0 1 +161 0 0 +162 1 0 +163 0 0 +164 1 0 +165 0 0 +166 0 1 +167 0 0 +168 1 0 +169 0 1 +170 0 0 +171 0 0 +172 0 1 +173 0 1 +174 0 0 +175 0 0 +176 0 1 +177 0 0 +178 1 0 +179 1 0 +180 0 0 +181 0 0 +182 0 0 +183 0 1 +184 0 1 +185 0 1 +186 0 0 +187 1 0 +188 0 0 +189 0 0 +190 0 0 +191 0 0 +192 0 1 +193 0 0 +194 0 1 +195 0 1 +196 1 0 +197 0 0 +198 0 0 +199 0 1 +200 0 0 +201 0 1 +202 1 0 +203 0 0 +204 0 0 +205 1 0 +206 0 1 +207 0 1 +208 0 1 +209 1 0 +210 0 1 +211 0 1 +212 1 1 +213 1 0 +214 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_AKE_4AKEA_1AKEA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_AKE_4AKEA_1AKEA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..9ca3b4125228991600a7521328987325020c1cf9 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_AKE_4AKEA_1AKEA/state_region_FINAL.tsv @@ -0,0 +1,218 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 0.914 1 0 +2 2 0.533 1 0 +3 3 0.679 1 0 +4 4 0.954 1 0 +5 5 1.086 1 0 +6 6 1.620 1 0 +7 7 2.000 1 0 +8 8 1.441 1 0 +9 9 1.393 1 0 +10 10 2.196 1 0 +11 11 2.215 1 0 +12 12 2.447 1 0 +13 13 1.673 1 0 +14 14 1.385 1 0 +15 15 1.377 1 0 +16 16 0.900 1 0 +17 17 1.439 1 0 +18 18 1.507 1 0 +19 19 0.938 1 0 +20 20 0.299 1 0 +21 21 0.476 1 0 +22 22 1.225 1 0 +23 23 1.593 1 0 +24 24 1.290 1 0 +25 25 0.611 1 0 +26 26 0.965 1 0 +27 27 0.928 1 0 +28 28 1.043 1 0 +29 29 0.794 1 0 +30 30 2.104 1 0 +31 31 2.813 1 0 +32 32 4.707 0 1 +33 33 4.664 0 1 +34 34 4.606 0 1 +35 35 6.055 0 1 +36 36 7.853 0 1 +37 37 8.073 0 1 +38 38 8.904 0 1 +39 39 10.870 0 1 +40 40 11.881 0 1 +41 41 12.024 0 1 +42 42 12.973 0 1 +43 43 12.022 0 1 +44 44 11.566 0 1 +45 45 8.133 0 1 +46 46 9.234 0 1 +47 47 12.086 0 1 +48 48 12.201 0 1 +49 49 11.168 0 1 +50 50 13.117 0 1 +51 51 15.949 0 1 +52 52 13.647 0 1 +53 53 12.849 0 1 +54 54 16.463 0 1 +55 55 17.969 0 1 +56 56 16.225 0 1 +57 57 14.056 0 1 +58 58 9.932 0 1 +59 59 7.277 0 1 +60 60 5.462 0 1 +61 61 3.579 0 1 +62 62 4.506 0 1 +63 63 5.439 0 1 +64 64 3.982 0 1 +65 65 3.333 0 1 +66 66 4.403 0 1 +67 67 3.923 0 1 +68 68 2.673 1 0 +69 69 3.157 0 1 +70 70 3.409 0 1 +71 71 2.082 1 0 +72 72 1.615 1 0 +73 73 2.570 1 0 +74 74 1.776 1 0 +75 75 1.727 1 0 +76 76 1.197 1 0 +77 77 1.596 1 0 +78 78 3.002 0 1 +79 79 2.531 1 0 +80 80 0.564 1 0 +81 81 0.486 1 0 +82 82 0.993 1 0 +83 83 0.898 1 0 +84 84 0.833 1 0 +85 85 0.787 1 0 +86 86 0.537 1 0 +87 87 0.656 1 0 +88 88 1.097 1 0 +89 89 1.278 1 0 +90 90 1.393 1 0 +91 91 1.633 1 0 +92 92 1.309 1 0 +93 93 0.535 1 0 +94 94 1.320 1 0 +95 95 1.528 1 0 +96 96 0.530 1 0 +97 97 1.086 1 0 +98 98 1.288 1 0 +99 99 0.676 1 0 +100 100 0.408 1 0 +101 101 0.579 1 0 +102 102 0.694 1 0 +103 103 0.686 1 0 +104 104 0.650 1 0 +105 105 1.090 1 0 +106 106 1.102 1 0 +107 107 1.066 1 0 +108 108 1.349 1 0 +109 109 1.283 1 0 +110 110 1.330 1 0 +111 111 1.177 1 0 +112 112 0.601 1 0 +113 113 0.467 1 0 +114 114 0.632 1 0 +115 115 1.327 1 0 +116 116 1.321 1 0 +117 117 2.973 1 0 +118 118 3.953 0 1 +119 119 3.365 0 1 +120 120 4.434 0 1 +121 121 6.336 0 1 +122 122 8.580 0 1 +123 123 9.412 0 1 +124 124 12.526 0 1 +125 125 13.953 0 1 +126 126 17.218 0 1 +127 127 17.407 0 1 +128 128 20.048 0 1 +129 129 19.640 0 1 +130 130 16.423 0 1 +131 131 16.470 0 1 +132 132 13.290 0 1 +133 133 12.508 0 1 +134 134 9.825 0 1 +135 135 11.219 0 1 +136 136 8.819 0 1 +137 137 7.538 0 1 +138 138 11.070 0 1 +139 139 13.449 0 1 +140 140 16.586 0 1 +141 141 18.987 0 1 +142 142 20.314 0 1 +143 143 17.823 0 1 +144 144 18.400 0 1 +145 145 20.455 0 1 +146 146 20.095 0 1 +147 147 21.332 0 1 +148 148 23.196 0 1 +149 149 24.530 0 1 +150 150 24.125 0 1 +151 151 22.685 0 1 +152 152 20.386 0 1 +153 153 17.100 0 1 +154 154 14.948 0 1 +155 155 11.734 0 1 +156 156 9.746 0 1 +157 157 8.816 0 1 +158 158 5.528 0 1 +159 159 5.876 0 1 +160 160 5.664 0 1 +161 161 4.780 0 1 +162 162 4.912 0 1 +163 163 4.442 0 1 +164 164 3.410 0 1 +165 165 3.202 0 1 +166 166 3.392 0 1 +167 167 2.403 1 0 +168 168 1.112 1 0 +169 169 2.124 1 0 +170 170 2.031 1 0 +171 171 0.821 1 0 +172 172 0.967 1 0 +173 173 1.561 1 0 +174 174 1.070 1 0 +175 175 1.694 1 0 +176 176 2.405 1 0 +177 177 1.717 1 0 +178 178 1.235 1 0 +179 179 1.058 1 0 +180 180 0.442 1 0 +181 181 0.410 1 0 +182 182 0.378 1 0 +183 183 0.190 1 0 +184 184 0.178 1 0 +185 185 0.206 1 0 +186 186 0.564 1 0 +187 187 0.605 1 0 +188 188 0.458 1 0 +189 189 0.682 1 0 +190 190 0.357 1 0 +191 191 0.693 1 0 +192 192 1.140 1 0 +193 193 1.176 1 0 +194 194 1.340 1 0 +195 195 1.233 1 0 +196 196 1.287 1 0 +197 197 0.748 1 0 +198 198 0.865 1 0 +199 199 0.549 1 0 +200 200 0.493 1 0 +201 201 1.518 1 0 +202 202 1.474 1 0 +203 203 1.571 1 0 +204 204 1.215 1 0 +205 205 0.823 1 0 +206 206 0.976 1 0 +207 207 0.988 1 0 +208 208 0.466 1 0 +209 209 0.307 1 0 +210 210 0.970 1 0 +211 211 1.049 1 0 +212 212 0.989 1 0 +213 213 1.317 1 0 +214 214 1.682 1 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_CALM_1CFDA_1CLLA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_CALM_1CFDA_1CLLA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..aab835eb4fd773e1173d549c6149ab2cde952c29 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_CALM_1CFDA_1CLLA/state_region_BLIND_proxy.tsv @@ -0,0 +1,152 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 1 0 +5 1 0 +6 0 0 +7 0 0 +8 0 0 +9 1 0 +10 0 1 +11 0 0 +12 1 0 +13 0 0 +14 0 0 +15 0 0 +16 1 0 +17 0 1 +18 1 0 +19 1 0 +20 0 0 +21 0 0 +22 0 0 +23 0 0 +24 0 0 +25 0 0 +26 0 1 +27 1 0 +28 0 0 +29 0 1 +30 0 1 +31 0 0 +32 1 0 +33 0 0 +34 0 1 +35 1 0 +36 0 0 +37 0 0 +38 0 0 +39 1 0 +40 0 0 +41 0 1 +42 0 0 +43 0 0 +44 0 0 +45 0 0 +46 0 1 +47 0 0 +48 1 0 +49 0 1 +50 0 1 +51 0 0 +52 1 0 +53 0 1 +54 0 0 +55 1 0 +56 0 0 +57 0 1 +58 0 0 +59 0 0 +60 0 0 +61 0 0 +62 0 1 +63 1 0 +64 0 0 +65 1 0 +66 0 1 +67 0 0 +68 1 0 +69 1 0 +70 0 1 +71 0 0 +72 1 0 +73 0 1 +74 0 1 +75 0 0 +76 0 1 +77 0 1 +78 0 1 +79 0 1 +80 0 0 +81 0 1 +82 0 0 +83 0 0 +84 0 0 +85 1 0 +86 0 1 +87 0 0 +88 0 0 +89 1 0 +90 1 1 +91 1 0 +92 1 0 +93 0 0 +94 0 0 +95 0 0 +96 0 0 +97 0 0 +98 0 0 +99 0 1 +100 1 0 +101 0 0 +102 0 1 +103 0 1 +104 0 0 +105 1 0 +106 0 0 +107 0 1 +108 1 0 +109 0 0 +110 0 1 +111 0 1 +112 1 0 +113 0 0 +114 0 0 +115 0 1 +116 1 0 +117 1 0 +118 0 0 +119 0 0 +120 0 0 +121 1 0 +122 0 1 +123 0 0 +124 1 0 +125 1 0 +126 1 1 +127 0 0 +128 0 0 +129 0 0 +130 0 1 +131 0 0 +132 0 0 +133 0 0 +134 0 0 +135 0 1 +136 1 0 +137 0 0 +138 0 0 +139 0 0 +140 0 0 +141 1 0 +142 1 1 +143 0 1 +144 0 0 +145 0 0 +146 0 0 +147 0 0 +148 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_CALM_1CFDA_1CLLA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_CALM_1CFDA_1CLLA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..8e27269769b1f2bf09fd629de5060e295205f9c2 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_CALM_1CFDA_1CLLA/state_region_FINAL.tsv @@ -0,0 +1,148 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +4 4 18.021 0 1 +5 5 15.868 0 1 +6 6 14.746 0 1 +7 7 14.074 0 1 +8 8 13.376 0 1 +9 9 10.822 0 1 +10 10 9.607 0 1 +11 11 9.133 0 1 +12 12 7.952 0 1 +13 13 5.988 0 1 +14 14 4.639 0 1 +15 15 5.151 0 1 +16 16 3.210 0 1 +17 17 0.914 1 0 +18 18 2.036 1 0 +19 19 3.951 0 1 +20 20 3.050 0 1 +21 21 5.587 0 1 +22 22 6.338 0 1 +23 23 5.307 0 1 +24 24 6.156 0 1 +25 25 4.733 0 1 +26 26 3.150 0 1 +27 27 2.402 1 0 +28 28 2.910 1 0 +29 29 3.074 0 1 +30 30 2.373 1 0 +31 31 0.732 1 0 +32 32 1.607 1 0 +33 33 1.157 1 0 +34 34 1.604 1 0 +35 35 2.627 1 0 +36 36 3.147 0 1 +37 37 3.188 0 1 +38 38 4.018 0 1 +39 39 4.267 0 1 +40 40 4.178 0 1 +41 41 3.540 0 1 +42 42 2.874 1 0 +43 43 1.991 1 0 +44 44 1.765 1 0 +45 45 1.905 1 0 +46 46 1.450 1 0 +47 47 1.013 1 0 +48 48 1.290 1 0 +49 49 2.833 1 0 +50 50 3.547 0 1 +51 51 3.848 0 1 +52 52 4.275 0 1 +53 53 5.403 0 1 +54 54 6.028 0 1 +55 55 5.562 0 1 +56 56 6.051 0 1 +57 57 6.632 0 1 +58 58 4.032 0 1 +59 59 5.647 0 1 +60 60 3.899 0 1 +61 61 3.504 0 1 +62 62 2.323 1 0 +63 63 1.224 1 0 +64 64 2.245 1 0 +65 65 4.142 0 1 +66 66 4.684 0 1 +67 67 3.162 0 1 +68 68 3.778 0 1 +69 69 6.150 0 1 +70 70 6.686 0 1 +71 71 6.598 0 1 +72 72 7.147 0 1 +73 73 8.808 0 1 +74 74 9.662 0 1 +75 75 9.322 0 1 +76 76 10.141 0 1 +77 77 12.099 0 1 +78 78 11.925 0 1 +79 79 10.526 0 1 +80 80 10.354 0 1 +81 81 8.582 0 1 +82 82 5.301 0 1 +83 83 10.361 0 1 +84 84 11.954 0 1 +85 85 7.879 0 1 +86 86 7.141 0 1 +87 87 12.643 0 1 +88 88 11.851 0 1 +89 89 6.759 0 1 +90 90 10.723 0 1 +91 91 14.057 0 1 +92 92 10.109 0 1 +93 93 8.120 0 1 +94 94 12.431 0 1 +95 95 12.512 0 1 +96 96 13.854 0 1 +97 97 12.527 0 1 +98 98 9.997 0 1 +99 99 6.980 0 1 +100 100 4.553 0 1 +101 101 6.735 0 1 +102 102 9.990 0 1 +103 103 9.865 0 1 +104 104 7.087 0 1 +105 105 8.560 0 1 +106 106 13.593 0 1 +107 107 13.811 0 1 +108 108 13.503 0 1 +109 109 16.819 0 1 +110 110 21.019 0 1 +111 111 21.555 0 1 +112 112 23.228 0 1 +113 113 28.324 0 1 +114 114 27.185 0 1 +115 115 30.061 0 1 +116 116 27.518 0 1 +117 117 30.268 0 1 +118 118 27.423 0 1 +119 119 30.952 0 1 +120 120 27.492 0 1 +121 121 21.398 0 1 +122 122 24.531 0 1 +123 123 25.615 0 1 +124 124 19.092 0 1 +125 125 18.406 0 1 +126 126 23.947 0 1 +127 127 20.649 0 1 +128 128 17.048 0 1 +129 129 20.479 0 1 +130 130 23.219 0 1 +131 131 26.751 0 1 +132 132 25.405 0 1 +133 133 20.973 0 1 +134 134 16.460 0 1 +135 135 11.326 0 1 +136 136 10.133 0 1 +137 137 9.240 0 1 +138 138 7.617 0 1 +139 139 8.363 0 1 +140 140 10.340 0 1 +141 141 8.383 0 1 +142 142 7.019 0 1 +143 143 9.769 0 1 +144 144 12.187 0 1 +145 145 11.319 0 1 +146 146 11.060 0 1 +147 147 15.158 0 1 diff --git a/bench/main_benchmark/annotations/SFB_AL_CDK6_1BI7A_2EUFB/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_CDK6_1BI7A_2EUFB/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..dcb612d3e9cdc25c4dc0524c04547191b46b44f5 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_CDK6_1BI7A_2EUFB/state_region_BLIND_proxy.tsv @@ -0,0 +1,273 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 1 1 +7 1 0 +8 0 1 +9 0 0 +10 1 0 +11 0 0 +12 0 0 +13 0 0 +14 0 0 +15 0 0 +16 0 0 +17 0 0 +18 1 0 +19 1 0 +20 0 0 +21 0 0 +22 0 0 +23 0 0 +24 0 0 +25 1 0 +26 0 0 +27 0 0 +28 0 0 +29 0 0 +30 0 1 +31 0 0 +32 0 0 +33 1 0 +34 0 0 +35 0 0 +36 1 0 +37 0 0 +38 1 1 +39 0 0 +40 0 1 +41 0 0 +42 0 0 +43 0 0 +44 0 0 +45 1 0 +46 0 0 +47 1 0 +48 0 0 +49 0 0 +50 1 0 +51 1 0 +52 0 0 +53 0 0 +54 0 0 +55 0 0 +56 0 0 +57 1 1 +58 0 1 +59 0 1 +60 0 1 +61 0 1 +62 1 0 +63 0 0 +64 1 0 +65 1 0 +66 1 0 +67 0 0 +68 0 0 +69 1 0 +70 0 0 +71 0 1 +72 0 0 +73 1 0 +74 0 1 +75 0 1 +76 0 0 +77 1 0 +78 0 1 +79 0 1 +80 0 1 +81 0 1 +82 0 1 +83 0 1 +84 0 1 +85 1 0 +86 0 0 +87 0 0 +88 0 1 +89 0 1 +90 1 0 +91 0 0 +92 0 1 +93 0 0 +94 0 0 +95 1 1 +96 0 0 +97 1 0 +98 1 0 +99 0 1 +100 0 0 +101 1 0 +102 0 1 +103 0 0 +104 1 0 +105 0 0 +106 0 0 +107 0 0 +108 0 0 +109 1 0 +110 1 0 +111 0 0 +112 0 0 +113 0 0 +114 1 0 +115 0 0 +116 0 0 +117 0 0 +118 0 0 +119 1 0 +120 0 0 +121 1 0 +122 0 0 +123 0 1 +124 0 1 +125 0 0 +126 0 1 +127 1 0 +128 0 0 +129 1 0 +130 0 0 +131 0 0 +132 0 0 +133 0 0 +134 0 0 +135 0 0 +136 0 0 +137 1 1 +138 0 0 +139 0 0 +140 0 1 +141 0 1 +142 0 1 +143 0 1 +144 1 0 +145 0 0 +146 0 0 +147 1 1 +148 0 0 +149 0 0 +150 0 0 +151 0 0 +152 0 0 +153 0 0 +154 0 0 +155 0 0 +156 0 0 +157 0 0 +158 1 0 +159 1 0 +160 1 0 +161 0 0 +162 0 1 +163 0 1 +164 0 0 +165 0 0 +166 0 0 +167 0 0 +168 1 0 +169 0 0 +170 1 0 +171 0 0 +172 0 0 +173 1 0 +174 0 0 +175 1 0 +176 1 0 +177 1 0 +178 0 0 +179 0 0 +180 0 0 +181 1 0 +182 0 0 +183 0 0 +184 0 0 +185 0 0 +186 1 0 +187 1 0 +188 0 0 +189 0 0 +190 0 1 +191 0 0 +192 0 0 +193 1 1 +194 0 0 +195 0 0 +196 1 0 +197 0 1 +198 0 0 +199 1 0 +200 1 0 +201 0 1 +202 1 0 +203 1 0 +204 0 0 +205 1 0 +206 0 0 +207 0 0 +208 0 0 +209 0 0 +210 0 1 +211 0 0 +212 0 0 +213 0 0 +214 0 1 +215 0 1 +216 0 1 +217 0 0 +218 0 0 +219 0 1 +220 0 1 +221 0 1 +222 0 0 +223 0 1 +224 0 1 +225 0 1 +226 0 1 +227 0 1 +228 0 1 +229 0 1 +230 1 0 +231 0 1 +232 0 1 +233 0 1 +234 1 1 +235 0 0 +236 0 1 +237 1 0 +238 0 0 +239 0 1 +240 0 1 +241 0 0 +242 0 1 +243 0 0 +244 1 0 +245 1 0 +246 1 1 +247 0 0 +248 1 0 +249 1 0 +250 0 1 +251 1 0 +252 0 0 +253 0 0 +254 0 1 +255 0 0 +256 0 0 +257 1 0 +258 0 0 +259 0 0 +260 0 1 +261 0 0 +262 0 0 +263 1 0 +264 0 1 +265 0 0 +266 0 0 +267 0 0 +268 0 0 +269 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_CDK6_1BI7A_2EUFB/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_CDK6_1BI7A_2EUFB/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..33c66e838a2dbde96e99cade23e241fa61ded3f7 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_CDK6_1BI7A_2EUFB/state_region_FINAL.tsv @@ -0,0 +1,259 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 10 5.864 0 1 +2 11 7.562 0 1 +3 12 4.549 0 1 +4 13 5.417 0 1 +5 14 5.852 0 1 +6 15 6.503 0 1 +7 16 6.362 0 1 +8 17 7.579 0 1 +9 18 7.080 0 1 +10 19 6.532 0 1 +11 20 6.705 0 1 +12 21 7.045 0 1 +13 22 6.394 0 1 +14 23 6.339 0 1 +15 24 7.718 0 1 +16 25 7.948 0 1 +17 26 6.980 0 1 +18 27 5.480 0 1 +19 28 5.337 0 1 +20 29 5.062 0 1 +21 30 4.939 0 1 +22 31 4.087 0 1 +23 32 3.805 0 1 +24 33 4.038 0 1 +25 34 3.647 0 1 +26 35 2.552 1 0 +27 36 4.319 0 1 +28 37 5.074 0 1 +29 38 3.862 0 1 +30 39 3.675 0 1 +31 40 3.024 0 1 +32 41 3.471 0 1 +33 42 4.477 0 1 +34 43 5.147 0 1 +35 44 6.863 0 1 +36 45 7.798 0 1 +37 46 10.989 0 1 +38 47 11.721 0 1 +39 48 15.397 0 1 +40 72 2.563 1 0 +41 73 1.039 1 0 +42 74 0.538 1 0 +43 75 0.395 1 0 +44 76 0.549 1 0 +45 77 0.596 1 0 +46 78 1.512 1 0 +47 79 2.254 1 0 +48 80 1.947 1 0 +49 81 3.141 0 1 +50 82 4.557 0 1 +51 83 4.867 0 1 +52 84 6.254 0 1 +53 85 5.726 0 1 +54 86 6.911 0 1 +55 87 13.793 0 1 +56 88 14.238 0 1 +57 89 19.937 0 1 +58 90 20.072 0 1 +59 91 14.476 0 1 +60 92 11.405 0 1 +61 93 9.129 0 1 +62 94 7.591 0 1 +63 95 5.836 0 1 +64 96 4.773 0 1 +65 97 3.104 0 1 +66 98 2.573 1 0 +67 99 1.942 1 0 +68 100 2.332 1 0 +69 101 0.938 1 0 +70 102 3.184 0 1 +71 103 0.960 1 0 +72 104 0.832 1 0 +73 105 0.293 1 0 +74 106 0.552 1 0 +75 107 0.581 1 0 +76 108 0.801 1 0 +77 109 0.633 1 0 +78 110 0.838 1 0 +79 111 0.829 1 0 +80 112 0.653 1 0 +81 113 0.773 1 0 +82 114 1.996 1 0 +83 115 0.745 1 0 +84 116 0.932 1 0 +85 117 0.658 1 0 +86 118 0.564 1 0 +87 119 0.463 1 0 +88 120 0.460 1 0 +89 121 0.247 1 0 +90 122 0.483 1 0 +91 123 0.349 1 0 +92 124 0.092 1 0 +93 125 0.193 1 0 +94 126 0.542 1 0 +95 127 0.560 1 0 +96 128 0.645 1 0 +97 129 0.563 1 0 +98 130 0.233 1 0 +99 131 0.315 1 0 +100 132 0.689 1 0 +101 133 0.963 1 0 +102 134 1.056 1 0 +103 135 0.803 1 0 +104 136 0.617 1 0 +105 137 0.353 1 0 +106 138 0.606 1 0 +107 139 0.601 1 0 +108 140 0.751 1 0 +109 141 0.723 1 0 +110 142 0.761 1 0 +111 143 0.873 1 0 +112 144 1.022 1 0 +113 145 0.932 1 0 +114 146 0.306 1 0 +115 147 0.664 1 0 +116 148 0.657 1 0 +117 149 0.405 1 0 +118 150 0.260 1 0 +119 151 0.320 1 0 +120 152 0.389 1 0 +121 153 0.910 1 0 +122 154 0.994 1 0 +123 155 1.117 1 0 +124 156 1.262 1 0 +125 157 1.039 1 0 +126 158 0.287 1 0 +127 159 0.479 1 0 +128 160 0.528 1 0 +129 161 0.505 1 0 +130 162 0.867 1 0 +131 163 1.545 1 0 +132 164 6.774 0 1 +133 165 6.470 0 1 +134 166 11.213 0 1 +135 167 15.222 0 1 +136 168 21.699 0 1 +137 169 26.721 0 1 +138 170 30.111 0 1 +139 171 36.495 0 1 +140 172 38.538 0 1 +141 173 41.202 0 1 +142 174 42.164 0 1 +143 175 40.990 0 1 +144 176 33.902 0 1 +145 177 28.515 0 1 +146 178 22.771 0 1 +147 179 17.405 0 1 +148 180 14.002 0 1 +149 181 9.565 0 1 +150 182 4.782 0 1 +151 183 1.160 1 0 +152 184 0.570 1 0 +153 185 0.633 1 0 +154 186 0.627 1 0 +155 187 0.879 1 0 +156 188 0.879 1 0 +157 189 1.002 1 0 +158 190 1.096 1 0 +159 191 1.347 1 0 +160 192 1.212 1 0 +161 193 1.513 1 0 +162 194 0.856 1 0 +163 195 2.023 1 0 +164 196 2.869 1 0 +165 197 0.414 1 0 +166 198 0.881 1 0 +167 199 0.826 1 0 +168 200 0.374 1 0 +169 201 0.274 1 0 +170 202 0.368 1 0 +171 203 0.428 1 0 +172 204 0.332 1 0 +173 205 0.270 1 0 +174 206 0.496 1 0 +175 207 0.126 1 0 +176 208 0.155 1 0 +177 209 0.186 1 0 +178 210 0.599 1 0 +179 211 0.583 1 0 +180 212 0.459 1 0 +181 213 0.307 1 0 +182 214 1.027 1 0 +183 215 0.699 1 0 +184 216 0.478 1 0 +185 217 0.597 1 0 +186 218 0.713 1 0 +187 219 0.448 1 0 +188 220 0.159 1 0 +189 221 0.746 1 0 +190 222 0.657 1 0 +191 223 1.000 1 0 +192 224 1.186 1 0 +193 225 1.194 1 0 +194 226 1.010 1 0 +195 227 0.855 1 0 +196 228 0.854 1 0 +197 229 0.930 1 0 +198 230 0.618 1 0 +199 231 0.634 1 0 +200 232 0.658 1 0 +201 233 0.433 1 0 +202 234 0.508 1 0 +203 235 0.424 1 0 +204 236 0.425 1 0 +205 237 0.900 1 0 +206 238 0.991 1 0 +207 239 0.975 1 0 +208 240 1.908 1 0 +209 241 2.272 1 0 +210 242 1.417 1 0 +211 243 1.655 1 0 +212 244 1.307 1 0 +227 259 0.943 1 0 +228 260 0.794 1 0 +229 261 0.567 1 0 +230 262 0.820 1 0 +231 263 0.333 1 0 +232 264 0.284 1 0 +233 265 0.942 1 0 +234 266 0.791 1 0 +235 267 0.539 1 0 +236 268 1.173 1 0 +237 269 0.253 1 0 +238 270 0.331 1 0 +239 271 0.805 1 0 +240 272 0.640 1 0 +241 273 0.153 1 0 +242 274 0.418 1 0 +243 275 0.751 1 0 +244 276 0.416 1 0 +245 277 0.390 1 0 +246 278 0.360 1 0 +247 279 0.442 1 0 +248 280 0.561 1 0 +249 281 0.806 1 0 +250 282 0.701 1 0 +251 283 0.729 1 0 +252 284 0.915 1 0 +253 285 1.037 1 0 +254 286 1.084 1 0 +255 287 0.506 1 0 +256 288 0.109 1 0 +257 289 0.207 1 0 +258 290 0.130 1 0 +259 291 0.787 1 0 +260 292 1.052 1 0 +261 293 0.984 1 0 +262 294 0.637 1 0 +263 295 0.432 1 0 +264 296 0.486 1 0 +265 297 0.498 1 0 +266 298 0.342 1 0 +267 299 0.281 1 0 +268 300 0.643 1 0 +269 301 1.438 1 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_CHEY_3CHYA_1FQWA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_CHEY_3CHYA_1FQWA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..f09b8e9872f18919c76c9d2bc896b6b968f3791a --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_CHEY_3CHYA_1FQWA/state_region_BLIND_proxy.tsv @@ -0,0 +1,132 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 1 0 +6 0 0 +7 1 0 +8 1 0 +9 1 0 +10 1 0 +11 0 0 +12 0 0 +13 0 0 +14 0 1 +15 0 0 +16 0 0 +17 0 0 +18 0 0 +19 1 0 +20 1 0 +21 0 0 +22 0 1 +23 1 1 +24 1 0 +25 0 0 +26 0 1 +27 1 0 +28 0 0 +29 0 0 +30 0 1 +31 0 1 +32 1 0 +33 0 1 +34 0 0 +35 0 0 +36 0 1 +37 0 0 +38 0 0 +39 0 1 +40 0 0 +41 0 0 +42 1 0 +43 0 1 +44 0 1 +45 1 0 +46 0 1 +47 0 1 +48 0 1 +49 0 1 +50 0 0 +51 0 0 +52 1 0 +53 1 0 +54 1 0 +55 0 0 +56 0 0 +57 0 0 +58 0 0 +59 0 0 +60 0 0 +61 0 1 +62 0 0 +63 0 0 +64 0 0 +65 1 0 +66 0 0 +67 1 0 +68 1 0 +69 0 0 +70 0 1 +71 1 0 +72 0 0 +73 0 0 +74 0 0 +75 0 1 +76 0 1 +77 0 1 +78 0 1 +79 0 1 +80 1 0 +81 0 0 +82 1 0 +83 1 0 +84 0 0 +85 1 0 +86 0 0 +87 0 0 +88 0 0 +89 0 0 +90 0 1 +91 0 1 +92 0 0 +93 0 1 +94 1 0 +95 1 1 +96 0 0 +97 0 0 +98 0 1 +99 0 0 +100 0 0 +101 0 0 +102 0 0 +103 0 0 +104 0 0 +105 0 0 +106 1 0 +107 1 0 +108 0 0 +109 0 0 +110 0 0 +111 0 0 +112 0 0 +113 0 1 +114 0 1 +115 1 0 +116 0 1 +117 0 0 +118 0 0 +119 1 0 +120 0 1 +121 0 1 +122 1 0 +123 0 0 +124 0 0 +125 0 0 +126 1 0 +127 0 0 +128 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_CHEY_3CHYA_1FQWA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_CHEY_3CHYA_1FQWA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..8a0932d95c4c5a07c9d2823215a0185d609a5b4a --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_CHEY_3CHYA_1FQWA/state_region_FINAL.tsv @@ -0,0 +1,132 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 2 1.261 1 0 +2 3 0.423 1 0 +3 4 0.873 1 0 +4 5 0.914 1 0 +5 6 0.480 1 0 +6 7 0.267 1 0 +7 8 0.271 1 0 +8 9 0.144 1 0 +9 10 0.225 1 0 +10 11 0.294 1 0 +11 12 0.443 1 0 +12 13 0.549 1 0 +13 14 0.400 1 0 +14 15 0.949 1 0 +15 16 1.278 1 0 +16 17 0.957 1 0 +17 18 0.694 1 0 +18 19 0.660 1 0 +19 20 0.756 1 0 +20 21 0.638 1 0 +21 22 0.281 1 0 +22 23 0.390 1 0 +23 24 0.650 1 0 +24 25 0.505 1 0 +25 26 0.600 1 0 +26 27 0.779 1 0 +27 28 0.947 1 0 +28 29 0.797 1 0 +29 30 0.889 1 0 +30 31 0.753 1 0 +31 32 0.597 1 0 +32 33 0.457 1 0 +33 34 0.130 1 0 +34 35 0.198 1 0 +35 36 0.218 1 0 +36 37 0.310 1 0 +37 38 0.407 1 0 +38 39 0.302 1 0 +39 40 0.445 1 0 +40 41 0.291 1 0 +41 42 0.274 1 0 +42 43 0.335 1 0 +43 44 0.548 1 0 +44 45 0.479 1 0 +45 46 0.168 1 0 +46 47 0.142 1 0 +47 48 0.444 1 0 +48 49 0.741 1 0 +49 50 0.323 1 0 +50 51 0.167 1 0 +51 52 0.601 1 0 +52 53 0.390 1 0 +53 54 0.280 1 0 +54 55 0.354 1 0 +55 56 0.421 1 0 +56 57 0.183 1 0 +57 58 0.935 1 0 +58 59 0.746 1 0 +59 60 0.593 1 0 +60 61 0.689 1 0 +61 62 1.112 1 0 +62 63 0.356 1 0 +63 64 0.338 1 0 +64 65 0.435 1 0 +65 66 0.293 1 0 +66 67 0.190 1 0 +67 68 0.168 1 0 +68 69 0.352 1 0 +69 70 0.422 1 0 +70 71 0.411 1 0 +71 72 0.301 1 0 +72 73 0.367 1 0 +73 74 0.680 1 0 +74 75 0.702 1 0 +75 76 0.749 1 0 +76 77 0.766 1 0 +77 78 0.808 1 0 +78 79 0.668 1 0 +79 80 0.530 1 0 +80 81 0.476 1 0 +81 82 0.335 1 0 +82 83 0.283 1 0 +83 84 0.353 1 0 +84 85 0.469 1 0 +85 86 1.122 1 0 +86 87 1.322 1 0 +87 88 0.937 1 0 +88 89 3.591 0 1 +89 90 1.283 1 0 +90 91 1.028 1 0 +91 92 0.601 1 0 +92 93 0.573 1 0 +93 94 0.472 1 0 +94 95 0.771 1 0 +95 96 0.821 1 0 +96 97 0.501 1 0 +97 98 0.394 1 0 +98 99 0.801 1 0 +99 100 0.757 1 0 +100 101 0.656 1 0 +101 102 0.702 1 0 +102 103 0.406 1 0 +103 104 0.102 1 0 +104 105 0.366 1 0 +105 106 0.378 1 0 +106 107 0.235 1 0 +107 108 0.889 1 0 +108 109 1.417 1 0 +109 110 1.738 1 0 +110 111 1.618 1 0 +111 112 2.260 1 0 +112 113 1.965 1 0 +113 114 1.365 1 0 +114 115 1.020 1 0 +115 116 0.845 1 0 +116 117 0.748 1 0 +117 118 0.193 1 0 +118 119 0.338 1 0 +119 120 0.589 1 0 +120 121 0.759 1 0 +121 122 0.617 1 0 +122 123 0.628 1 0 +123 124 0.918 1 0 +124 125 1.143 1 0 +125 126 1.479 1 0 +126 127 1.565 1 0 +127 128 1.935 1 0 +128 129 1.546 1 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_DHFR_1RX1A_1RX4A/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_DHFR_1RX1A_1RX4A/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..b6b8d70671d923abec70abc430f6fc9ee7f1eb03 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_DHFR_1RX1A_1RX4A/state_region_BLIND_proxy.tsv @@ -0,0 +1,163 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 1 0 +3 0 0 +4 1 0 +5 1 0 +6 0 0 +7 0 0 +8 1 1 +9 0 0 +10 1 1 +11 0 0 +12 0 0 +13 1 0 +14 1 0 +15 0 0 +16 0 1 +17 0 0 +18 0 0 +19 0 1 +20 0 0 +21 0 0 +22 0 0 +23 0 0 +24 1 0 +25 0 0 +26 0 0 +27 0 0 +28 1 0 +29 0 0 +30 0 0 +31 1 0 +32 0 0 +33 0 1 +34 0 0 +35 0 0 +36 0 0 +37 0 0 +38 0 0 +39 0 0 +40 1 0 +41 1 0 +42 0 0 +43 0 0 +44 0 0 +45 0 0 +46 0 0 +47 0 0 +48 0 0 +49 0 0 +50 1 0 +51 0 0 +52 0 0 +53 0 0 +54 1 0 +55 0 0 +56 0 0 +57 0 0 +58 0 1 +59 0 0 +60 1 0 +61 1 0 +62 1 0 +63 0 0 +64 0 0 +65 0 0 +66 0 1 +67 0 1 +68 0 1 +69 0 1 +70 0 0 +71 0 0 +72 1 0 +73 0 1 +74 0 0 +75 1 0 +76 0 1 +77 0 0 +78 1 0 +79 0 0 +80 0 0 +81 0 0 +82 1 0 +83 0 1 +84 0 1 +85 1 0 +86 0 1 +87 0 1 +88 1 1 +89 0 1 +90 0 0 +91 1 0 +92 1 0 +93 1 0 +94 1 0 +95 0 0 +96 0 0 +97 0 0 +98 0 0 +99 1 0 +100 0 0 +101 0 0 +102 0 0 +103 1 0 +104 1 0 +105 0 0 +106 0 1 +107 0 0 +108 0 0 +109 0 0 +110 1 0 +111 0 0 +112 1 0 +113 0 0 +114 0 1 +115 1 0 +116 0 0 +117 0 1 +118 0 1 +119 1 0 +120 0 0 +121 0 0 +122 0 0 +123 0 0 +124 0 0 +125 1 0 +126 0 0 +127 0 1 +128 0 0 +129 0 0 +130 0 1 +131 0 1 +132 0 1 +133 0 0 +134 0 1 +135 0 0 +136 1 0 +137 0 1 +138 0 1 +139 0 0 +140 0 1 +141 0 1 +142 0 1 +143 0 1 +144 0 0 +145 0 0 +146 0 1 +147 0 0 +148 0 1 +149 0 1 +150 0 1 +151 0 0 +152 1 1 +153 1 0 +154 0 1 +155 1 1 +156 1 0 +157 0 0 +158 0 0 +159 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_DHFR_1RX1A_1RX4A/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_DHFR_1RX1A_1RX4A/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..e84ded8fffc8fe78f7aac8974b8d7396a871fd8a --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_DHFR_1RX1A_1RX4A/state_region_FINAL.tsv @@ -0,0 +1,163 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 0.328 1 0 +2 2 0.301 1 0 +3 3 0.273 1 0 +4 4 0.126 1 0 +5 5 0.077 1 0 +6 6 0.189 1 0 +7 7 0.245 1 0 +8 8 0.044 1 0 +9 9 0.297 1 0 +10 10 0.217 1 0 +11 11 0.369 1 0 +12 12 0.628 1 0 +13 13 0.649 1 0 +14 14 0.305 1 0 +15 15 1.398 1 0 +16 16 5.989 0 1 +17 17 9.629 0 1 +18 18 7.281 0 1 +19 19 2.819 1 0 +20 20 2.783 1 0 +21 21 2.787 1 0 +22 22 1.539 1 0 +23 23 0.979 1 0 +24 24 0.979 1 0 +25 25 0.841 1 0 +26 26 0.771 1 0 +27 27 0.336 1 0 +28 28 0.429 1 0 +29 29 0.491 1 0 +30 30 0.392 1 0 +31 31 0.133 1 0 +32 32 0.221 1 0 +33 33 0.267 1 0 +34 34 0.150 1 0 +35 35 0.306 1 0 +36 36 0.375 1 0 +37 37 0.225 1 0 +38 38 0.184 1 0 +39 39 0.211 1 0 +40 40 0.123 1 0 +41 41 0.079 1 0 +42 42 0.162 1 0 +43 43 0.097 1 0 +44 44 0.166 1 0 +45 45 0.333 1 0 +46 46 0.064 1 0 +47 47 0.131 1 0 +48 48 0.145 1 0 +49 49 0.576 1 0 +50 50 0.229 1 0 +51 51 0.172 1 0 +52 52 0.154 1 0 +53 53 0.202 1 0 +54 54 0.077 1 0 +55 55 0.144 1 0 +56 56 0.139 1 0 +57 57 0.348 1 0 +58 58 0.297 1 0 +59 59 0.100 1 0 +60 60 0.303 1 0 +61 61 0.240 1 0 +62 62 0.313 1 0 +63 63 0.256 1 0 +64 64 0.413 1 0 +65 65 0.279 1 0 +66 66 0.187 1 0 +67 67 0.503 1 0 +68 68 0.346 1 0 +69 69 0.235 1 0 +70 70 0.307 1 0 +71 71 0.294 1 0 +72 72 0.136 1 0 +73 73 0.159 1 0 +74 74 0.239 1 0 +75 75 0.267 1 0 +76 76 0.484 1 0 +77 77 0.261 1 0 +78 78 0.155 1 0 +79 79 0.234 1 0 +80 80 0.241 1 0 +81 81 0.258 1 0 +82 82 0.202 1 0 +83 83 0.292 1 0 +84 84 0.370 1 0 +85 85 0.211 1 0 +86 86 0.154 1 0 +87 87 0.198 1 0 +88 88 0.433 1 0 +89 89 0.257 1 0 +90 90 0.084 1 0 +91 91 0.173 1 0 +92 92 0.206 1 0 +93 93 0.091 1 0 +94 94 0.182 1 0 +95 95 0.677 1 0 +96 96 0.452 1 0 +97 97 0.525 1 0 +98 98 0.647 1 0 +99 99 0.227 1 0 +100 100 0.161 1 0 +101 101 0.240 1 0 +102 102 0.284 1 0 +103 103 0.198 1 0 +104 104 0.292 1 0 +105 105 0.188 1 0 +106 106 0.186 1 0 +107 107 0.188 1 0 +108 108 0.435 1 0 +109 109 0.161 1 0 +110 110 0.228 1 0 +111 111 0.161 1 0 +112 112 0.187 1 0 +113 113 0.235 1 0 +114 114 0.269 1 0 +115 115 0.490 1 0 +116 116 0.319 1 0 +117 117 0.746 1 0 +118 118 0.971 1 0 +119 119 0.814 1 0 +120 120 0.972 1 0 +121 121 0.891 1 0 +122 122 0.716 1 0 +123 123 0.629 1 0 +124 124 0.422 1 0 +125 125 0.372 1 0 +126 126 0.384 1 0 +127 127 0.288 1 0 +128 128 0.206 1 0 +129 129 0.577 1 0 +130 130 0.610 1 0 +131 131 0.543 1 0 +132 132 0.511 1 0 +133 133 0.179 1 0 +134 134 0.178 1 0 +135 135 0.157 1 0 +136 136 0.210 1 0 +137 137 0.181 1 0 +138 138 0.199 1 0 +139 139 0.413 1 0 +140 140 0.412 1 0 +141 141 0.355 1 0 +142 142 0.327 1 0 +143 143 0.451 1 0 +144 144 0.369 1 0 +145 145 0.701 1 0 +146 146 0.640 1 0 +147 147 0.527 1 0 +148 148 1.140 1 0 +149 149 0.576 1 0 +150 150 0.433 1 0 +151 151 0.512 1 0 +152 152 0.460 1 0 +153 153 0.246 1 0 +154 154 0.138 1 0 +155 155 0.211 1 0 +156 156 0.315 1 0 +157 157 0.043 1 0 +158 158 0.183 1 0 +159 159 0.389 1 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_EGFR_2GS2A_1XKKA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_EGFR_2GS2A_1XKKA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..b2e8f6de880262dc89d690a661e22efc9a54440b --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_EGFR_2GS2A_1XKKA/state_region_BLIND_proxy.tsv @@ -0,0 +1,309 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 0 0 +7 0 0 +8 0 0 +9 1 0 +10 0 0 +11 1 0 +12 1 0 +13 0 0 +14 0 0 +15 0 1 +16 0 0 +17 1 0 +18 0 1 +19 0 0 +20 1 1 +21 0 0 +22 1 1 +23 1 0 +24 0 0 +25 0 0 +26 0 0 +27 0 0 +28 0 0 +29 0 0 +30 0 1 +31 1 0 +32 0 0 +33 0 0 +34 0 0 +35 1 1 +36 0 0 +37 1 1 +38 0 1 +39 0 1 +40 0 0 +41 0 1 +42 0 1 +43 1 0 +44 0 0 +45 1 0 +46 0 0 +47 1 0 +48 0 0 +49 1 0 +50 0 0 +51 0 1 +52 0 1 +53 0 1 +54 0 0 +55 0 1 +56 0 1 +57 0 1 +58 0 1 +59 0 1 +60 0 0 +61 1 0 +62 1 0 +63 0 1 +64 0 0 +65 0 0 +66 0 1 +67 1 0 +68 0 0 +69 0 0 +70 0 1 +71 1 0 +72 0 1 +73 0 0 +74 0 0 +75 0 0 +76 1 0 +77 1 0 +78 0 0 +79 1 0 +80 1 0 +81 0 0 +82 1 0 +83 1 0 +84 1 0 +85 0 1 +86 0 1 +87 0 0 +88 1 0 +89 0 1 +90 1 0 +91 1 0 +92 0 0 +93 0 0 +94 1 0 +95 0 0 +96 0 0 +97 1 1 +98 0 0 +99 1 0 +100 1 0 +101 1 0 +102 0 0 +103 0 0 +104 1 0 +105 0 0 +106 0 1 +107 0 1 +108 0 0 +109 0 1 +110 0 1 +111 1 0 +112 0 0 +113 0 1 +114 0 1 +115 0 1 +116 1 0 +117 1 0 +118 0 1 +119 0 0 +120 1 0 +121 1 1 +122 0 0 +123 1 0 +124 0 0 +125 0 0 +126 0 0 +127 0 0 +128 0 1 +129 0 0 +130 1 0 +131 0 0 +132 0 0 +133 0 0 +134 0 0 +135 1 0 +136 1 0 +137 0 0 +138 0 0 +139 0 0 +140 1 0 +141 0 0 +142 0 0 +143 0 0 +144 0 0 +145 1 0 +146 1 0 +147 1 0 +148 0 1 +149 0 1 +150 0 1 +151 0 1 +152 0 1 +153 1 0 +154 0 0 +155 1 0 +156 0 0 +157 0 0 +158 0 0 +159 0 0 +160 1 0 +161 0 0 +162 0 0 +163 1 1 +164 0 0 +165 0 1 +166 0 1 +167 0 1 +168 0 0 +169 0 1 +170 0 0 +171 0 0 +172 0 1 +173 0 1 +174 0 1 +175 0 0 +176 0 0 +177 0 0 +178 1 0 +179 0 0 +180 1 0 +181 0 0 +182 0 0 +183 0 0 +184 0 0 +185 1 0 +186 0 0 +187 0 0 +188 1 0 +189 0 1 +190 0 1 +191 0 0 +192 0 1 +193 0 0 +194 0 0 +195 0 0 +196 0 0 +197 0 0 +198 0 0 +199 1 0 +200 0 0 +201 0 0 +202 0 0 +203 0 0 +204 1 0 +205 0 0 +206 1 0 +207 0 0 +208 0 0 +209 1 0 +210 0 0 +211 0 0 +212 0 0 +213 0 0 +214 0 1 +215 0 1 +216 0 0 +217 0 0 +218 0 1 +219 0 0 +220 1 0 +221 0 1 +222 0 0 +223 0 1 +224 0 0 +225 1 0 +226 0 1 +227 0 1 +228 1 1 +229 1 0 +230 0 0 +231 0 1 +232 0 0 +233 0 0 +234 0 0 +235 1 0 +236 0 0 +237 0 0 +238 0 0 +239 0 1 +240 1 1 +241 1 0 +242 0 0 +243 1 1 +244 0 0 +245 1 0 +246 0 0 +247 0 1 +248 1 0 +249 0 0 +250 1 1 +251 0 0 +252 1 0 +253 0 0 +254 0 1 +255 1 1 +256 0 0 +257 0 0 +258 0 1 +259 0 1 +260 0 0 +261 0 0 +262 0 0 +263 1 0 +264 0 1 +265 0 0 +266 1 0 +267 1 1 +268 1 1 +269 0 1 +270 0 0 +271 0 1 +272 0 1 +273 0 0 +274 0 0 +275 0 0 +276 0 0 +277 0 0 +278 0 0 +279 0 0 +280 0 0 +281 0 0 +282 0 0 +283 1 0 +284 0 0 +285 0 0 +286 0 0 +287 0 0 +288 0 0 +289 0 0 +290 0 0 +291 0 0 +292 0 0 +293 0 0 +294 0 0 +295 0 0 +296 0 0 +297 0 0 +298 0 0 +299 0 0 +300 0 0 +301 0 0 +302 0 0 +303 0 0 +304 0 0 +305 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_EGFR_2GS2A_1XKKA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_EGFR_2GS2A_1XKKA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..e6b8401d935836a18637f1afe5d7aa29fc42f912 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_EGFR_2GS2A_1XKKA/state_region_FINAL.tsv @@ -0,0 +1,256 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +31 702 7.782 0 1 +32 703 6.193 0 1 +33 704 6.169 0 1 +34 705 5.797 0 1 +35 706 5.727 0 1 +36 707 4.468 0 1 +37 708 4.907 0 1 +38 709 7.811 0 1 +39 710 6.931 0 1 +40 711 10.400 0 1 +41 712 10.944 0 1 +42 713 11.236 0 1 +43 714 10.693 0 1 +44 715 13.603 0 1 +45 716 14.068 0 1 +46 717 15.683 0 1 +47 718 15.990 0 1 +48 719 17.836 0 1 +49 720 20.991 0 1 +50 721 20.731 0 1 +51 722 25.825 0 1 +52 726 28.443 0 1 +53 727 28.312 0 1 +54 728 27.336 0 1 +55 729 26.162 0 1 +56 730 24.772 0 1 +57 731 20.315 0 1 +58 732 18.888 0 1 +59 733 19.994 0 1 +64 738 17.762 0 1 +65 739 12.152 0 1 +66 740 10.266 0 1 +67 741 9.654 0 1 +68 742 6.097 0 1 +69 743 6.873 0 1 +70 744 12.973 0 1 +71 745 12.798 0 1 +72 746 14.353 0 1 +73 747 15.184 0 1 +74 748 12.561 0 1 +75 749 15.780 0 1 +80 754 24.723 0 1 +81 755 26.904 0 1 +82 756 23.728 0 1 +83 757 25.053 0 1 +84 758 28.737 0 1 +85 759 25.485 0 1 +86 760 23.349 0 1 +87 761 21.440 0 1 +88 762 20.708 0 1 +89 763 14.626 0 1 +90 764 13.538 0 1 +91 765 15.546 0 1 +92 766 11.801 0 1 +93 767 13.170 0 1 +94 768 15.792 0 1 +95 769 16.912 0 1 +96 770 21.492 0 1 +97 771 23.571 0 1 +98 772 21.366 0 1 +99 773 17.596 0 1 +100 774 16.493 0 1 +101 775 15.920 0 1 +102 776 17.025 0 1 +103 777 17.449 0 1 +104 778 23.837 0 1 +105 779 23.834 0 1 +106 780 20.582 0 1 +107 781 22.663 0 1 +108 782 24.435 0 1 +109 783 26.806 0 1 +110 784 21.857 0 1 +111 785 19.528 0 1 +112 786 22.497 0 1 +113 787 25.426 0 1 +114 788 24.537 0 1 +115 789 23.885 0 1 +116 790 25.331 0 1 +117 791 28.456 0 1 +118 792 24.551 0 1 +119 793 21.481 0 1 +120 794 23.496 0 1 +121 795 20.841 0 1 +122 796 14.715 0 1 +123 797 10.286 0 1 +124 798 11.376 0 1 +125 799 9.251 0 1 +126 800 7.384 0 1 +127 801 8.007 0 1 +128 802 8.885 0 1 +129 803 8.461 0 1 +130 804 7.952 0 1 +131 805 7.173 0 1 +132 806 9.459 0 1 +133 807 13.262 0 1 +134 808 9.640 0 1 +135 809 10.582 0 1 +136 810 12.360 0 1 +137 811 15.764 0 1 +138 812 13.624 0 1 +139 813 14.240 0 1 +140 814 14.557 0 1 +141 815 18.143 0 1 +142 816 21.723 0 1 +143 817 18.077 0 1 +144 818 15.967 0 1 +145 819 20.511 0 1 +146 820 20.888 0 1 +147 821 21.614 0 1 +148 822 26.766 0 1 +149 823 29.784 0 1 +150 824 26.457 0 1 +151 825 26.750 0 1 +152 826 28.120 0 1 +153 827 23.782 0 1 +154 828 19.489 0 1 +155 829 19.914 0 1 +156 830 20.009 0 1 +157 831 15.723 0 1 +158 832 19.599 0 1 +159 833 15.581 0 1 +160 834 17.061 0 1 +161 835 16.057 0 1 +162 836 21.625 0 1 +163 837 21.607 0 1 +164 838 20.259 0 1 +165 839 21.537 0 1 +166 840 19.778 0 1 +167 841 20.527 0 1 +168 842 20.850 0 1 +169 843 16.645 0 1 +170 844 15.432 0 1 +171 845 11.568 0 1 +172 846 15.493 0 1 +173 847 12.525 0 1 +174 848 13.660 0 1 +175 849 13.112 0 1 +176 850 11.592 0 1 +177 851 12.480 0 1 +178 852 10.199 0 1 +179 853 9.048 0 1 +180 854 15.261 0 1 +181 855 16.189 0 1 +182 856 12.792 0 1 +183 857 18.777 0 1 +184 858 23.110 0 1 +185 859 24.898 0 1 +186 860 29.023 0 1 +187 861 29.150 0 1 +188 862 30.283 0 1 +189 863 34.087 0 1 +190 864 32.385 0 1 +191 865 31.427 0 1 +192 866 35.666 0 1 +193 867 35.150 0 1 +202 876 11.334 0 1 +203 877 7.267 0 1 +204 878 7.290 0 1 +205 879 6.291 0 1 +206 880 3.557 0 1 +207 881 1.923 1 0 +208 882 5.740 0 1 +209 883 10.513 0 1 +210 884 9.794 0 1 +211 885 3.590 0 1 +212 886 5.775 0 1 +213 887 9.497 0 1 +214 888 6.399 0 1 +215 889 7.807 0 1 +216 890 8.379 0 1 +217 891 8.988 0 1 +218 892 5.500 0 1 +219 893 8.536 0 1 +220 894 6.156 0 1 +221 895 10.189 0 1 +222 896 9.918 0 1 +223 897 10.244 0 1 +224 898 11.465 0 1 +225 899 11.237 0 1 +226 900 10.997 0 1 +227 901 11.878 0 1 +228 902 13.490 0 1 +229 903 13.181 0 1 +230 904 13.533 0 1 +231 905 15.511 0 1 +232 906 17.072 0 1 +233 907 19.041 0 1 +234 908 16.527 0 1 +235 909 18.627 0 1 +236 910 24.052 0 1 +237 911 22.024 0 1 +238 912 21.051 0 1 +239 913 20.996 0 1 +240 914 17.467 0 1 +241 915 12.138 0 1 +242 916 13.263 0 1 +243 917 9.945 0 1 +244 918 3.185 0 1 +245 919 2.620 1 0 +246 920 4.823 0 1 +247 921 9.059 0 1 +248 922 8.969 0 1 +249 923 6.528 0 1 +250 924 9.657 0 1 +251 925 13.690 0 1 +252 926 13.002 0 1 +253 927 10.721 0 1 +254 928 15.910 0 1 +255 929 17.348 0 1 +256 930 16.967 0 1 +257 931 15.814 0 1 +258 932 14.569 0 1 +259 933 8.381 0 1 +260 934 6.480 0 1 +261 935 11.710 0 1 +262 936 11.990 0 1 +263 937 17.052 0 1 +264 938 20.131 0 1 +265 939 21.144 0 1 +266 940 24.757 0 1 +267 941 28.513 0 1 +268 942 31.446 0 1 +269 943 27.210 0 1 +270 944 25.605 0 1 +271 945 31.285 0 1 +272 946 31.866 0 1 +273 947 26.757 0 1 +274 948 28.598 0 1 +275 949 34.153 0 1 +276 950 31.317 0 1 +277 951 25.914 0 1 +278 952 28.138 0 1 +279 953 25.760 0 1 +280 954 25.775 0 1 +281 955 23.961 0 1 +282 956 28.191 0 1 +283 957 29.320 0 1 +284 958 30.663 0 1 +285 959 36.660 0 1 +286 960 35.591 0 1 +287 961 38.881 0 1 +288 962 43.147 0 1 +289 963 41.425 0 1 +290 964 40.086 0 1 +291 965 38.939 0 1 +292 966 43.331 0 1 +293 982 59.490 0 1 +294 983 56.661 0 1 +295 984 56.297 0 1 +296 985 55.290 0 1 +297 986 51.528 0 1 +298 987 44.802 0 1 diff --git a/bench/main_benchmark/annotations/SFB_AL_GLNBP_1GGGA_1WDNA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_GLNBP_1GGGA_1WDNA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..8732980ab0a0f7cb1cc96326000d6fd928aafe48 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_GLNBP_1GGGA_1WDNA/state_region_BLIND_proxy.tsv @@ -0,0 +1,224 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 1 0 +4 0 0 +5 0 0 +6 0 0 +7 0 1 +8 0 1 +9 0 0 +10 1 0 +11 0 0 +12 1 0 +13 0 0 +14 1 0 +15 0 1 +16 0 0 +17 0 1 +18 0 0 +19 0 0 +20 0 1 +21 1 0 +22 0 0 +23 1 0 +24 0 0 +25 1 0 +26 0 0 +27 1 0 +28 0 0 +29 0 1 +30 0 0 +31 1 0 +32 0 0 +33 0 0 +34 0 0 +35 1 0 +36 1 0 +37 1 0 +38 0 0 +39 0 0 +40 0 0 +41 1 0 +42 0 0 +43 0 1 +44 0 0 +45 0 1 +46 1 0 +47 0 0 +48 0 0 +49 1 0 +50 1 0 +51 0 0 +52 0 0 +53 1 0 +54 0 0 +55 0 0 +56 0 0 +57 0 0 +58 1 0 +59 0 0 +60 1 0 +61 0 0 +62 1 0 +63 0 0 +64 0 0 +65 1 0 +66 0 0 +67 1 0 +68 0 0 +69 1 0 +70 1 0 +71 0 0 +72 0 0 +73 1 0 +74 0 1 +75 1 0 +76 0 0 +77 1 0 +78 0 0 +79 0 0 +80 0 0 +81 0 0 +82 0 0 +83 0 1 +84 0 0 +85 0 0 +86 0 0 +87 1 1 +88 1 0 +89 1 0 +90 1 0 +91 0 0 +92 0 0 +93 0 0 +94 0 0 +95 0 1 +96 1 1 +97 0 0 +98 0 1 +99 0 0 +100 1 1 +101 0 0 +102 0 0 +103 1 0 +104 0 1 +105 0 0 +106 0 0 +107 1 0 +108 1 0 +109 0 0 +110 1 0 +111 0 0 +112 0 1 +113 0 0 +114 0 0 +115 0 0 +116 0 1 +117 1 0 +118 0 1 +119 0 1 +120 0 0 +121 0 1 +122 0 0 +123 0 1 +124 1 1 +125 0 1 +126 0 1 +127 0 0 +128 0 1 +129 1 0 +130 0 1 +131 0 1 +132 0 0 +133 0 0 +134 0 1 +135 0 1 +136 0 1 +137 0 1 +138 0 0 +139 0 0 +140 0 1 +141 0 0 +142 1 0 +143 0 1 +144 0 0 +145 0 0 +146 0 0 +147 0 0 +148 0 0 +149 0 0 +150 1 0 +151 1 0 +152 0 1 +153 0 0 +154 0 1 +155 0 0 +156 0 0 +157 1 0 +158 1 1 +159 0 0 +160 0 0 +161 1 0 +162 0 0 +163 0 1 +164 0 1 +165 0 0 +166 0 1 +167 0 1 +168 0 1 +169 1 0 +170 0 0 +171 0 0 +172 1 0 +173 0 0 +174 0 1 +175 0 1 +176 0 1 +177 0 1 +178 0 1 +179 0 0 +180 0 1 +181 0 0 +182 0 0 +183 1 0 +184 0 0 +185 1 0 +186 0 0 +187 0 0 +188 0 0 +189 0 0 +190 0 1 +191 0 0 +192 1 0 +193 0 0 +194 0 0 +195 0 1 +196 1 0 +197 0 0 +198 0 1 +199 0 0 +200 1 0 +201 0 1 +202 0 1 +203 1 0 +204 0 0 +205 0 0 +206 0 0 +207 0 0 +208 0 0 +209 0 0 +210 0 0 +211 0 0 +212 1 0 +213 0 1 +214 0 1 +215 0 0 +216 0 0 +217 0 0 +218 0 0 +219 0 0 +220 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_GLNBP_1GGGA_1WDNA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_GLNBP_1GGGA_1WDNA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..5986127db7d5ec20f4a5c0c97516a7b8c4861be4 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_GLNBP_1GGGA_1WDNA/state_region_FINAL.tsv @@ -0,0 +1,224 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 5 0.709 1 0 +2 6 0.743 1 0 +3 7 0.620 1 0 +4 8 0.808 1 0 +5 9 0.617 1 0 +6 10 1.208 1 0 +7 11 0.879 1 0 +8 12 0.865 1 0 +9 13 1.002 1 0 +10 14 1.211 1 0 +11 15 1.129 1 0 +12 16 0.913 1 0 +13 17 0.752 1 0 +14 18 0.870 1 0 +15 19 0.951 1 0 +16 20 1.471 1 0 +17 21 1.353 1 0 +18 22 1.238 1 0 +19 23 0.390 1 0 +20 24 0.389 1 0 +21 25 0.367 1 0 +22 26 0.844 1 0 +23 27 0.744 1 0 +24 28 0.709 1 0 +25 29 0.660 1 0 +26 30 0.740 1 0 +27 31 0.773 1 0 +28 32 0.398 1 0 +29 33 0.212 1 0 +30 34 0.382 1 0 +31 35 0.399 1 0 +32 36 0.305 1 0 +33 37 0.132 1 0 +34 38 0.396 1 0 +35 39 0.446 1 0 +36 40 0.784 1 0 +37 41 0.768 1 0 +38 42 0.652 1 0 +39 43 0.588 1 0 +40 44 0.984 1 0 +41 45 0.899 1 0 +42 46 1.071 1 0 +43 47 1.372 1 0 +44 48 1.619 1 0 +45 49 1.762 1 0 +46 50 1.571 1 0 +47 51 1.808 1 0 +48 52 1.643 1 0 +49 53 1.163 1 0 +50 54 1.312 1 0 +51 55 1.410 1 0 +52 56 1.729 1 0 +53 57 0.965 1 0 +54 58 1.238 1 0 +55 59 2.009 1 0 +56 60 1.427 1 0 +57 61 1.527 1 0 +58 62 1.057 1 0 +59 63 0.586 1 0 +60 64 0.323 1 0 +61 65 0.497 1 0 +62 66 0.475 1 0 +63 67 1.067 1 0 +64 68 1.275 1 0 +65 69 0.912 1 0 +66 70 0.838 1 0 +67 71 0.834 1 0 +68 72 1.051 1 0 +69 73 1.574 1 0 +70 74 1.551 1 0 +71 75 0.786 1 0 +72 76 0.847 1 0 +73 77 0.886 1 0 +74 78 0.675 1 0 +75 79 0.499 1 0 +76 80 0.489 1 0 +77 81 0.456 1 0 +78 82 0.502 1 0 +79 83 1.173 1 0 +80 84 1.064 1 0 +81 85 0.671 1 0 +82 86 0.877 1 0 +83 87 0.372 1 0 +84 88 0.572 1 0 +85 89 1.338 1 0 +86 90 4.272 0 1 +87 91 6.168 0 1 +88 92 9.622 0 1 +89 93 10.492 0 1 +90 94 13.611 0 1 +91 95 15.031 0 1 +92 96 15.083 0 1 +93 97 17.704 0 1 +94 98 18.896 0 1 +95 99 21.277 0 1 +96 100 21.277 0 1 +97 101 17.611 0 1 +98 102 14.520 0 1 +99 103 11.640 0 1 +100 104 15.871 0 1 +101 105 14.918 0 1 +102 106 17.138 0 1 +103 107 19.890 0 1 +104 108 23.229 0 1 +105 109 23.330 0 1 +106 110 19.842 0 1 +107 111 19.054 0 1 +108 112 15.756 0 1 +109 113 14.843 0 1 +110 114 12.890 0 1 +111 115 12.819 0 1 +112 116 15.093 0 1 +113 117 14.326 0 1 +114 118 10.860 0 1 +115 119 9.096 0 1 +116 120 9.621 0 1 +117 121 12.506 0 1 +118 122 11.910 0 1 +119 123 9.977 0 1 +120 124 12.531 0 1 +121 125 14.501 0 1 +122 126 13.324 0 1 +123 127 12.579 0 1 +124 128 14.862 0 1 +125 129 18.132 0 1 +126 130 18.790 0 1 +127 131 21.970 0 1 +128 132 20.885 0 1 +129 133 18.218 0 1 +130 134 18.270 0 1 +131 135 17.079 0 1 +132 136 16.716 0 1 +133 137 16.831 0 1 +134 138 13.640 0 1 +135 139 11.080 0 1 +136 140 11.062 0 1 +137 141 14.403 0 1 +138 142 13.469 0 1 +139 143 11.568 0 1 +140 144 14.249 0 1 +141 145 16.604 0 1 +142 146 15.327 0 1 +143 147 14.606 0 1 +144 148 18.986 0 1 +145 149 19.951 0 1 +146 150 20.631 0 1 +147 151 17.969 0 1 +148 152 17.529 0 1 +149 153 14.363 0 1 +150 154 11.880 0 1 +151 155 9.429 0 1 +152 156 6.948 0 1 +153 157 4.073 0 1 +154 158 2.508 1 0 +155 159 0.254 1 0 +156 160 2.657 1 0 +157 161 4.640 0 1 +158 162 3.858 0 1 +159 163 2.010 1 0 +160 164 4.216 0 1 +161 165 6.206 0 1 +162 166 4.996 0 1 +163 167 3.082 0 1 +164 168 5.761 0 1 +165 169 8.167 0 1 +166 170 8.515 0 1 +167 171 11.128 0 1 +168 172 12.972 0 1 +169 173 11.529 0 1 +170 174 10.983 0 1 +171 175 9.457 0 1 +172 176 11.840 0 1 +173 177 10.899 0 1 +174 178 8.066 0 1 +175 179 4.973 0 1 +176 180 4.507 0 1 +177 181 2.795 1 0 +178 182 0.663 1 0 +179 183 0.443 1 0 +180 184 0.601 1 0 +181 185 0.661 1 0 +182 186 1.118 1 0 +183 187 0.582 1 0 +184 188 0.541 1 0 +185 189 0.419 1 0 +186 190 0.574 1 0 +187 191 0.669 1 0 +188 192 0.954 1 0 +189 193 0.912 1 0 +190 194 0.972 1 0 +191 195 1.609 1 0 +192 196 0.772 1 0 +193 197 0.213 1 0 +194 198 1.287 1 0 +195 199 1.244 1 0 +196 200 0.367 1 0 +197 201 0.324 1 0 +198 202 0.405 1 0 +199 203 0.477 1 0 +200 204 0.415 1 0 +201 205 0.363 1 0 +202 206 0.724 1 0 +203 207 0.820 1 0 +204 208 0.971 1 0 +205 209 1.028 1 0 +206 210 1.346 1 0 +207 211 1.226 1 0 +208 212 1.175 1 0 +209 213 1.087 1 0 +210 214 1.464 1 0 +211 215 1.551 1 0 +212 216 1.199 1 0 +213 217 1.276 1 0 +214 218 1.743 1 0 +215 219 1.644 1 0 +216 220 1.482 1 0 +217 221 1.756 1 0 +218 222 1.835 1 0 +219 223 3.222 0 1 +220 224 3.348 0 1 diff --git a/bench/main_benchmark/annotations/SFB_AL_LIVBP_2LIVA_1Z15A/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_LIVBP_2LIVA_1Z15A/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..f8b7916d9008b67818d12fb910e7e688998bc1e4 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_LIVBP_2LIVA_1Z15A/state_region_BLIND_proxy.tsv @@ -0,0 +1,348 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 1 0 +4 0 0 +5 1 0 +6 0 0 +7 1 1 +8 1 1 +9 0 0 +10 0 0 +11 0 0 +12 0 0 +13 0 0 +14 0 1 +15 1 1 +16 0 0 +17 0 1 +18 0 1 +19 0 0 +20 0 1 +21 0 1 +22 0 1 +23 1 1 +24 0 0 +25 0 0 +26 1 0 +27 0 0 +28 0 0 +29 0 0 +30 1 0 +31 0 0 +32 0 0 +33 1 0 +34 0 0 +35 0 0 +36 0 0 +37 0 0 +38 0 0 +39 1 0 +40 0 1 +41 0 0 +42 0 1 +43 0 0 +44 1 0 +45 0 0 +46 1 0 +47 0 0 +48 0 1 +49 0 1 +50 0 0 +51 0 0 +52 0 0 +53 1 0 +54 0 0 +55 0 0 +56 0 0 +57 0 0 +58 0 0 +59 1 0 +60 0 1 +61 1 0 +62 0 0 +63 0 0 +64 0 0 +65 1 0 +66 1 0 +67 0 1 +68 0 0 +69 0 0 +70 1 0 +71 0 1 +72 0 0 +73 1 0 +74 1 0 +75 0 0 +76 0 0 +77 0 1 +78 1 0 +79 0 0 +80 0 0 +81 0 0 +82 0 0 +83 0 0 +84 0 0 +85 0 0 +86 0 0 +87 0 1 +88 1 0 +89 0 0 +90 0 1 +91 0 1 +92 0 0 +93 0 0 +94 1 0 +95 1 0 +96 1 0 +97 1 0 +98 0 0 +99 0 0 +100 0 0 +101 0 0 +102 0 0 +103 0 0 +104 0 0 +105 0 1 +106 1 0 +107 0 0 +108 0 1 +109 0 1 +110 0 0 +111 0 1 +112 0 1 +113 1 0 +114 1 0 +115 1 0 +116 0 0 +117 0 0 +118 0 0 +119 0 0 +120 0 0 +121 0 0 +122 0 0 +123 0 1 +124 0 0 +125 0 0 +126 0 1 +127 0 0 +128 0 0 +129 0 0 +130 0 1 +131 0 0 +132 1 0 +133 1 1 +134 0 1 +135 0 1 +136 1 0 +137 0 0 +138 0 0 +139 0 0 +140 0 0 +141 1 0 +142 0 0 +143 1 0 +144 1 0 +145 0 0 +146 0 0 +147 0 0 +148 0 0 +149 0 0 +150 0 0 +151 0 0 +152 0 0 +153 0 0 +154 1 0 +155 0 0 +156 0 0 +157 0 1 +158 1 0 +159 0 0 +160 0 0 +161 0 1 +162 1 0 +163 0 0 +164 0 0 +165 0 1 +166 0 0 +167 0 0 +168 0 1 +169 1 0 +170 1 0 +171 1 1 +172 1 1 +173 0 0 +174 0 1 +175 1 0 +176 0 0 +177 0 1 +178 0 0 +179 0 0 +180 0 0 +181 0 0 +182 1 0 +183 0 0 +184 0 0 +185 1 0 +186 1 0 +187 0 0 +188 0 0 +189 1 0 +190 0 0 +191 0 0 +192 0 1 +193 0 0 +194 1 0 +195 0 0 +196 1 0 +197 1 0 +198 0 0 +199 0 0 +200 0 0 +201 0 0 +202 0 0 +203 0 0 +204 0 1 +205 0 0 +206 1 0 +207 0 0 +208 0 0 +209 1 0 +210 1 0 +211 0 0 +212 0 0 +213 1 0 +214 0 0 +215 0 0 +216 0 0 +217 0 0 +218 1 0 +219 0 0 +220 0 0 +221 0 1 +222 1 0 +223 1 0 +224 0 0 +225 0 0 +226 0 0 +227 0 0 +228 1 1 +229 0 1 +230 0 0 +231 1 1 +232 0 0 +233 1 0 +234 0 1 +235 0 0 +236 1 0 +237 0 0 +238 0 0 +239 0 1 +240 0 0 +241 0 0 +242 0 0 +243 0 0 +244 1 1 +245 1 0 +246 1 1 +247 0 0 +248 0 1 +249 0 1 +250 0 1 +251 0 1 +252 0 0 +253 0 1 +254 0 1 +255 1 1 +256 0 0 +257 0 1 +258 0 0 +259 0 0 +260 0 1 +261 1 0 +262 1 0 +263 0 0 +264 0 1 +265 1 0 +266 0 0 +267 0 0 +268 0 0 +269 0 0 +270 0 0 +271 1 1 +272 0 1 +273 0 0 +274 0 1 +275 0 1 +276 1 0 +277 1 0 +278 0 0 +279 0 0 +280 0 0 +281 0 0 +282 0 0 +283 0 0 +284 1 0 +285 0 1 +286 0 0 +287 1 0 +288 0 0 +289 0 1 +290 0 0 +291 1 0 +292 0 0 +293 0 0 +294 0 0 +295 0 1 +296 0 0 +297 0 0 +298 0 1 +299 0 0 +300 1 0 +301 0 1 +302 0 1 +303 0 0 +304 1 0 +305 0 1 +306 0 1 +307 0 1 +308 0 1 +309 1 0 +310 0 1 +311 0 0 +312 1 0 +313 0 0 +314 0 0 +315 0 1 +316 1 0 +317 0 1 +318 0 0 +319 1 0 +320 0 1 +321 0 0 +322 0 0 +323 0 0 +324 1 1 +325 0 1 +326 0 1 +327 1 1 +328 0 1 +329 1 1 +330 0 1 +331 1 0 +332 1 0 +333 0 1 +334 0 0 +335 0 0 +336 0 0 +337 0 0 +338 0 0 +339 0 0 +340 0 0 +341 0 0 +342 0 0 +343 0 0 +344 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_LIVBP_2LIVA_1Z15A/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_LIVBP_2LIVA_1Z15A/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..5efdca8d9544e420eda39e2c44eb8143ff5b1127 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_LIVBP_2LIVA_1Z15A/state_region_FINAL.tsv @@ -0,0 +1,348 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 3.065 0 1 +2 2 1.099 1 0 +3 3 1.414 1 0 +4 4 1.371 1 0 +5 5 1.091 1 0 +6 6 1.171 1 0 +7 7 1.052 1 0 +8 8 1.244 1 0 +9 9 1.190 1 0 +10 10 1.368 1 0 +11 11 2.231 1 0 +12 12 1.785 1 0 +13 13 2.675 1 0 +14 14 2.879 1 0 +15 15 1.936 1 0 +16 16 1.727 1 0 +17 17 2.025 1 0 +18 18 1.508 1 0 +19 19 0.979 1 0 +20 20 1.449 1 0 +21 21 1.281 1 0 +22 22 0.958 1 0 +23 23 0.878 1 0 +24 24 1.122 1 0 +25 25 0.898 1 0 +26 26 0.686 1 0 +27 27 0.886 1 0 +28 28 0.776 1 0 +29 29 0.279 1 0 +30 30 0.367 1 0 +31 31 0.374 1 0 +32 32 0.240 1 0 +33 33 0.263 1 0 +34 34 0.321 1 0 +35 35 0.549 1 0 +36 36 0.526 1 0 +37 37 0.543 1 0 +38 38 0.844 1 0 +39 39 1.016 1 0 +40 40 1.337 1 0 +41 41 1.447 1 0 +42 42 1.170 1 0 +43 43 1.020 1 0 +44 44 0.965 1 0 +45 45 1.205 1 0 +46 46 1.199 1 0 +47 47 1.031 1 0 +48 48 1.048 1 0 +49 49 1.301 1 0 +50 50 1.349 1 0 +51 51 1.882 1 0 +52 52 1.579 1 0 +53 53 1.370 1 0 +54 54 1.664 1 0 +55 55 1.465 1 0 +56 56 1.514 1 0 +57 57 1.837 1 0 +58 58 1.433 1 0 +59 59 1.212 1 0 +60 60 1.730 1 0 +61 61 1.445 1 0 +62 62 1.020 1 0 +63 63 1.483 1 0 +64 64 1.612 1 0 +65 65 1.375 1 0 +66 66 1.348 1 0 +67 67 1.571 1 0 +68 68 1.704 1 0 +69 69 1.579 1 0 +70 70 1.613 1 0 +71 71 1.293 1 0 +72 72 0.800 1 0 +73 73 0.624 1 0 +74 74 0.346 1 0 +75 75 1.125 1 0 +76 76 1.068 1 0 +77 77 1.122 1 0 +78 78 1.360 1 0 +79 79 1.247 1 0 +80 80 1.159 1 0 +81 81 1.161 1 0 +82 82 0.733 1 0 +83 83 0.890 1 0 +84 84 0.884 1 0 +85 85 0.542 1 0 +86 86 0.794 1 0 +87 87 0.373 1 0 +88 88 0.940 1 0 +89 89 0.681 1 0 +90 90 0.400 1 0 +91 91 0.760 1 0 +92 92 0.559 1 0 +93 93 0.682 1 0 +94 94 0.649 1 0 +95 95 0.445 1 0 +96 96 0.387 1 0 +97 97 0.179 1 0 +98 98 0.741 1 0 +99 99 0.804 1 0 +100 100 1.185 1 0 +101 101 1.230 1 0 +102 102 1.502 1 0 +103 103 1.327 1 0 +104 104 1.282 1 0 +105 105 1.286 1 0 +106 106 0.848 1 0 +107 107 0.831 1 0 +108 108 0.958 1 0 +109 109 0.742 1 0 +110 110 0.815 1 0 +111 111 0.508 1 0 +112 112 0.459 1 0 +113 113 0.364 1 0 +114 114 0.187 1 0 +115 115 0.508 1 0 +116 116 0.481 1 0 +117 117 0.484 1 0 +118 118 1.031 1 0 +119 119 1.189 1 0 +120 120 1.161 1 0 +121 121 1.223 1 0 +122 122 1.269 1 0 +123 123 0.935 1 0 +124 124 0.921 1 0 +125 125 0.849 1 0 +126 126 0.792 1 0 +127 127 0.515 1 0 +128 128 0.330 1 0 +129 129 0.443 1 0 +130 130 0.618 1 0 +131 131 0.416 1 0 +132 132 0.478 1 0 +133 133 0.589 1 0 +134 134 0.823 1 0 +135 135 0.337 1 0 +136 136 0.644 1 0 +137 137 0.890 1 0 +138 138 1.010 1 0 +139 139 1.290 1 0 +140 140 1.033 1 0 +141 141 0.697 1 0 +142 142 0.761 1 0 +143 143 0.422 1 0 +144 144 0.488 1 0 +145 145 0.586 1 0 +146 146 0.989 1 0 +147 147 0.964 1 0 +148 148 0.871 1 0 +149 149 1.066 1 0 +150 150 1.372 1 0 +151 151 1.067 1 0 +152 152 0.686 1 0 +153 153 0.873 1 0 +154 154 0.671 1 0 +155 155 0.277 1 0 +156 156 0.265 1 0 +157 157 0.586 1 0 +158 158 0.388 1 0 +159 159 0.519 1 0 +160 160 0.923 1 0 +161 161 0.905 1 0 +162 162 0.738 1 0 +163 163 1.123 1 0 +164 164 1.167 1 0 +165 165 1.162 1 0 +166 166 1.133 1 0 +167 167 1.052 1 0 +168 168 1.131 1 0 +169 169 0.749 1 0 +170 170 1.036 1 0 +171 171 0.886 1 0 +172 172 0.618 1 0 +173 173 0.726 1 0 +174 174 0.595 1 0 +175 175 1.374 1 0 +176 176 1.170 1 0 +177 177 1.519 1 0 +178 178 1.683 1 0 +179 179 1.673 1 0 +180 180 2.050 1 0 +181 181 2.118 1 0 +182 182 1.898 1 0 +183 183 2.105 1 0 +184 184 2.119 1 0 +185 185 1.601 1 0 +186 186 1.781 1 0 +187 187 1.878 1 0 +188 188 1.576 1 0 +189 189 1.628 1 0 +190 190 2.133 1 0 +191 191 1.625 1 0 +192 192 1.242 1 0 +193 193 2.019 1 0 +194 194 1.420 1 0 +195 195 1.484 1 0 +196 196 1.032 1 0 +197 197 0.830 1 0 +198 198 0.293 1 0 +199 199 0.719 1 0 +200 200 0.716 1 0 +201 201 1.120 1 0 +202 202 1.382 1 0 +203 203 1.526 1 0 +204 204 1.707 1 0 +205 205 1.506 1 0 +206 206 1.575 1 0 +207 207 1.793 1 0 +208 208 2.088 1 0 +209 209 1.544 1 0 +210 210 1.530 1 0 +211 211 2.251 1 0 +212 212 2.337 1 0 +213 213 1.939 1 0 +214 214 1.957 1 0 +215 215 2.500 1 0 +216 216 2.417 1 0 +217 217 2.399 1 0 +218 218 2.101 1 0 +219 219 1.893 1 0 +220 220 1.403 1 0 +221 221 0.995 1 0 +222 222 0.769 1 0 +223 223 0.550 1 0 +224 224 0.584 1 0 +225 225 0.904 1 0 +226 226 0.976 1 0 +227 227 1.742 1 0 +228 228 1.710 1 0 +229 229 1.673 1 0 +230 230 2.296 1 0 +231 231 2.917 1 0 +232 232 3.027 0 1 +233 233 2.554 1 0 +234 234 2.713 1 0 +235 235 3.654 0 1 +236 236 2.718 1 0 +237 237 2.656 1 0 +238 238 2.654 1 0 +239 239 2.160 1 0 +240 240 1.975 1 0 +241 241 1.472 1 0 +242 242 1.264 1 0 +243 243 0.882 1 0 +244 244 0.763 1 0 +245 245 0.522 1 0 +246 246 0.591 1 0 +247 247 0.601 1 0 +248 248 1.084 1 0 +249 249 1.316 1 0 +250 250 1.190 1 0 +251 251 1.176 1 0 +252 252 1.301 1 0 +253 253 1.077 1 0 +254 254 1.159 1 0 +255 255 1.171 1 0 +256 256 1.368 1 0 +257 257 0.645 1 0 +258 258 0.677 1 0 +259 259 1.071 1 0 +260 260 0.882 1 0 +261 261 0.852 1 0 +262 262 0.990 1 0 +263 263 1.437 1 0 +264 264 1.212 1 0 +265 265 1.193 1 0 +266 266 1.190 1 0 +267 267 1.277 1 0 +268 268 1.164 1 0 +269 269 1.538 1 0 +270 270 1.254 1 0 +271 271 1.314 1 0 +272 272 1.028 1 0 +273 273 1.475 1 0 +274 274 1.366 1 0 +275 275 1.024 1 0 +276 276 1.084 1 0 +277 277 0.961 1 0 +278 278 0.961 1 0 +279 279 0.645 1 0 +280 280 0.484 1 0 +281 281 0.404 1 0 +282 282 0.455 1 0 +283 283 0.310 1 0 +284 284 0.296 1 0 +285 285 0.220 1 0 +286 286 0.496 1 0 +287 287 0.305 1 0 +288 288 0.773 1 0 +289 289 0.978 1 0 +290 290 0.693 1 0 +291 291 0.868 1 0 +292 292 1.376 1 0 +293 293 1.310 1 0 +294 294 1.183 1 0 +295 295 1.099 1 0 +296 296 0.860 1 0 +297 297 0.648 1 0 +298 298 0.545 1 0 +299 299 1.182 1 0 +300 300 0.717 1 0 +301 301 0.622 1 0 +302 302 1.021 1 0 +303 303 1.219 1 0 +304 304 0.874 1 0 +305 305 0.938 1 0 +306 306 0.920 1 0 +307 307 1.270 1 0 +308 308 1.014 1 0 +309 309 0.651 1 0 +310 310 0.925 1 0 +311 311 0.636 1 0 +312 312 0.704 1 0 +313 313 0.724 1 0 +314 314 0.788 1 0 +315 315 1.081 1 0 +316 316 1.065 1 0 +317 317 0.820 1 0 +318 318 0.797 1 0 +319 319 1.028 1 0 +320 320 1.094 1 0 +321 321 0.665 1 0 +322 322 0.996 1 0 +323 323 0.911 1 0 +324 324 0.833 1 0 +325 325 1.395 1 0 +326 326 1.148 1 0 +327 327 0.917 1 0 +328 328 0.790 1 0 +329 329 0.913 1 0 +330 330 0.912 1 0 +331 331 0.423 1 0 +332 332 0.624 1 0 +333 333 0.714 1 0 +334 334 1.068 1 0 +335 335 1.387 1 0 +336 336 1.520 1 0 +337 337 2.089 1 0 +338 338 1.998 1 0 +339 339 1.418 1 0 +340 340 0.653 1 0 +341 341 0.723 1 0 +342 342 0.723 1 0 +343 343 0.535 1 0 +344 344 0.946 1 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_MBP_1OMPA_1ANFA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_MBP_1OMPA_1ANFA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..e175318aca0666649eb5971cca276751c872da4b --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_MBP_1OMPA_1ANFA/state_region_BLIND_proxy.tsv @@ -0,0 +1,374 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 1 0 +3 1 0 +4 1 0 +5 0 0 +6 0 0 +7 1 0 +8 1 0 +9 1 0 +10 0 0 +11 1 1 +12 0 0 +13 0 1 +14 0 0 +15 0 0 +16 0 0 +17 0 1 +18 0 1 +19 0 0 +20 1 0 +21 0 1 +22 0 0 +23 1 0 +24 0 0 +25 0 0 +26 0 1 +27 0 0 +28 0 0 +29 0 0 +30 0 0 +31 0 0 +32 0 0 +33 1 0 +34 0 0 +35 1 0 +36 0 1 +37 1 0 +38 0 0 +39 0 1 +40 0 1 +41 0 0 +42 1 0 +43 1 0 +44 0 1 +45 0 1 +46 0 0 +47 1 0 +48 0 1 +49 0 0 +50 1 0 +51 0 0 +52 0 0 +53 0 0 +54 0 0 +55 0 1 +56 0 0 +57 0 0 +58 0 0 +59 1 0 +60 1 0 +61 1 0 +62 0 0 +63 0 0 +64 0 0 +65 0 0 +66 0 0 +67 1 0 +68 0 0 +69 0 1 +70 0 0 +71 0 0 +72 0 1 +73 0 0 +74 0 0 +75 1 0 +76 1 0 +77 0 0 +78 0 0 +79 1 0 +80 0 1 +81 0 1 +82 0 1 +83 0 1 +84 0 1 +85 0 1 +86 0 1 +87 0 0 +88 0 1 +89 1 0 +90 0 1 +91 0 0 +92 1 1 +93 0 0 +94 0 0 +95 0 0 +96 0 0 +97 1 0 +98 0 0 +99 0 0 +100 0 0 +101 0 0 +102 0 0 +103 1 0 +104 1 0 +105 0 0 +106 0 0 +107 0 0 +108 1 0 +109 0 0 +110 1 0 +111 0 0 +112 0 0 +113 1 0 +114 0 0 +115 1 0 +116 1 0 +117 0 0 +118 0 0 +119 0 0 +120 0 0 +121 1 0 +122 1 0 +123 0 0 +124 0 0 +125 0 0 +126 0 0 +127 0 0 +128 0 0 +129 0 0 +130 0 0 +131 0 0 +132 1 0 +133 0 1 +134 0 0 +135 1 0 +136 0 0 +137 0 0 +138 0 1 +139 1 0 +140 0 1 +141 0 0 +142 0 1 +143 0 0 +144 0 0 +145 0 1 +146 0 0 +147 1 0 +148 0 0 +149 1 0 +150 0 1 +151 1 1 +152 0 1 +153 0 0 +154 0 0 +155 0 0 +156 1 0 +157 0 1 +158 0 0 +159 0 0 +160 1 0 +161 1 0 +162 0 0 +163 0 0 +164 0 1 +165 0 0 +166 0 0 +167 0 0 +168 0 0 +169 1 0 +170 0 0 +171 0 1 +172 1 1 +173 0 0 +174 0 0 +175 0 1 +176 0 0 +177 0 0 +178 1 0 +179 0 1 +180 0 0 +181 1 0 +182 0 0 +183 1 0 +184 0 0 +185 0 0 +186 0 0 +187 0 0 +188 0 0 +189 0 0 +190 0 0 +191 0 0 +192 1 0 +193 0 0 +194 1 1 +195 1 0 +196 1 1 +197 0 1 +198 1 0 +199 1 1 +200 0 0 +201 0 1 +202 0 0 +203 0 1 +204 0 0 +205 0 0 +206 0 1 +207 0 0 +208 0 1 +209 0 0 +210 0 0 +211 0 0 +212 1 1 +213 0 0 +214 0 1 +215 0 0 +216 0 0 +217 1 0 +218 0 1 +219 0 1 +220 0 0 +221 0 0 +222 0 0 +223 0 0 +224 1 0 +225 0 1 +226 1 0 +227 0 0 +228 0 0 +229 0 0 +230 0 0 +231 0 0 +232 0 0 +233 0 1 +234 0 0 +235 1 0 +236 0 0 +237 0 0 +238 0 0 +239 0 0 +240 1 0 +241 0 0 +242 0 0 +243 0 0 +244 1 0 +245 0 0 +246 1 0 +247 1 0 +248 0 0 +249 0 0 +250 1 1 +251 0 0 +252 0 0 +253 0 0 +254 0 0 +255 0 0 +256 0 1 +257 0 0 +258 1 0 +259 1 0 +260 0 0 +261 1 0 +262 1 0 +263 0 0 +264 0 0 +265 0 1 +266 1 0 +267 0 0 +268 0 0 +269 0 1 +270 0 0 +271 0 0 +272 0 0 +273 0 0 +274 0 1 +275 1 0 +276 0 0 +277 0 1 +278 0 0 +279 1 0 +280 1 0 +281 0 0 +282 0 0 +283 0 0 +284 1 0 +285 1 1 +286 0 0 +287 0 0 +288 0 0 +289 0 1 +290 1 0 +291 0 1 +292 0 1 +293 1 1 +294 0 1 +295 0 1 +296 0 0 +297 0 1 +298 0 0 +299 0 0 +300 0 0 +301 0 0 +302 1 0 +303 0 1 +304 1 1 +305 0 1 +306 0 0 +307 0 1 +308 0 1 +309 0 1 +310 0 1 +311 1 0 +312 0 1 +313 1 1 +314 0 0 +315 0 0 +316 0 1 +317 1 0 +318 0 0 +319 0 0 +320 0 0 +321 0 1 +322 0 0 +323 0 0 +324 0 0 +325 0 1 +326 0 1 +327 0 0 +328 0 1 +329 1 0 +330 0 0 +331 0 0 +332 0 0 +333 1 0 +334 0 0 +335 0 0 +336 0 0 +337 0 0 +338 0 0 +339 1 0 +340 0 0 +341 0 1 +342 0 0 +343 1 1 +344 0 1 +345 0 1 +346 0 0 +347 1 0 +348 1 1 +349 0 1 +350 0 0 +351 0 1 +352 0 1 +353 0 0 +354 0 1 +355 0 0 +356 0 0 +357 1 0 +358 0 0 +359 0 0 +360 1 0 +361 1 0 +362 1 0 +363 0 1 +364 0 0 +365 0 0 +366 0 1 +367 0 1 +368 1 0 +369 0 0 +370 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_MBP_1OMPA_1ANFA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_MBP_1OMPA_1ANFA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..f06db9b0e8e948d0b29537517a37f711e9f18a8e --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_MBP_1OMPA_1ANFA/state_region_FINAL.tsv @@ -0,0 +1,374 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 12.199 0 1 +2 2 13.947 0 1 +3 3 14.859 0 1 +4 4 17.253 0 1 +5 5 16.667 0 1 +6 6 15.431 0 1 +7 7 13.325 0 1 +8 8 12.734 0 1 +9 9 10.782 0 1 +10 10 9.919 0 1 +11 11 8.593 0 1 +12 12 8.748 0 1 +13 13 10.479 0 1 +14 14 8.993 0 1 +15 15 7.732 0 1 +16 16 8.530 0 1 +17 17 10.068 0 1 +18 18 11.180 0 1 +19 19 9.803 0 1 +20 20 9.970 0 1 +21 21 12.059 0 1 +22 22 12.220 0 1 +23 23 11.702 0 1 +24 24 12.847 0 1 +25 25 14.343 0 1 +26 26 14.109 0 1 +27 27 14.143 0 1 +28 28 15.673 0 1 +29 29 17.591 0 1 +30 30 17.393 0 1 +31 31 17.064 0 1 +32 32 17.802 0 1 +33 33 16.326 0 1 +34 34 15.775 0 1 +35 35 14.066 0 1 +36 36 13.937 0 1 +37 37 12.191 0 1 +38 38 12.189 0 1 +39 39 11.210 0 1 +40 40 12.079 0 1 +41 41 12.111 0 1 +42 42 10.479 0 1 +43 43 9.750 0 1 +44 44 7.925 0 1 +45 45 8.961 0 1 +46 46 10.412 0 1 +47 47 8.949 0 1 +48 48 7.869 0 1 +49 49 10.229 0 1 +50 50 11.439 0 1 +51 51 9.926 0 1 +52 52 9.403 0 1 +53 53 11.621 0 1 +54 54 11.540 0 1 +55 55 11.813 0 1 +56 56 11.559 0 1 +57 57 11.265 0 1 +58 58 11.057 0 1 +59 59 9.188 0 1 +60 60 7.731 0 1 +61 61 6.416 0 1 +62 62 5.141 0 1 +63 63 3.286 0 1 +64 64 2.070 1 0 +65 65 2.313 1 0 +66 66 3.410 0 1 +67 67 2.894 1 0 +68 68 1.325 1 0 +69 69 2.819 1 0 +70 70 4.357 0 1 +71 71 3.863 0 1 +72 72 2.845 1 0 +73 73 5.255 0 1 +74 74 6.259 0 1 +75 75 6.904 0 1 +76 76 6.745 0 1 +77 77 7.797 0 1 +78 78 7.390 0 1 +79 79 8.417 0 1 +80 80 9.541 0 1 +81 81 9.420 0 1 +82 82 10.755 0 1 +83 83 10.693 0 1 +84 84 11.368 0 1 +85 85 9.917 0 1 +86 86 8.787 0 1 +87 87 9.413 0 1 +88 88 8.125 0 1 +89 89 6.315 0 1 +90 90 5.783 0 1 +91 91 6.578 0 1 +92 92 4.884 0 1 +93 93 3.793 0 1 +94 94 5.177 0 1 +95 95 4.552 0 1 +96 96 1.954 1 0 +97 97 2.858 1 0 +98 98 3.711 0 1 +99 99 2.659 1 0 +100 100 4.171 0 1 +101 101 5.392 0 1 +102 102 5.606 0 1 +103 103 5.747 0 1 +104 104 5.235 0 1 +105 105 5.278 0 1 +106 106 5.720 0 1 +107 107 4.026 0 1 +108 108 3.848 0 1 +109 109 1.764 1 0 +110 110 0.371 1 0 +111 111 0.506 1 0 +112 112 1.029 1 0 +113 113 0.802 1 0 +114 114 0.701 1 0 +115 115 0.525 1 0 +116 116 0.521 1 0 +117 117 0.450 1 0 +118 118 0.237 1 0 +119 119 0.390 1 0 +120 120 0.346 1 0 +121 121 0.445 1 0 +122 122 0.203 1 0 +123 123 1.088 1 0 +124 124 0.757 1 0 +125 125 0.589 1 0 +126 126 0.683 1 0 +127 127 0.778 1 0 +128 128 0.687 1 0 +129 129 0.402 1 0 +130 130 0.580 1 0 +131 131 0.655 1 0 +132 132 0.372 1 0 +133 133 0.426 1 0 +134 134 0.626 1 0 +135 135 0.594 1 0 +136 136 0.628 1 0 +137 137 0.678 1 0 +138 138 1.041 1 0 +139 139 0.847 1 0 +140 140 1.025 1 0 +141 141 1.650 1 0 +142 142 0.912 1 0 +143 143 0.949 1 0 +144 144 0.824 1 0 +145 145 0.399 1 0 +146 146 0.304 1 0 +147 147 0.218 1 0 +148 148 0.340 1 0 +149 149 0.447 1 0 +150 150 0.683 1 0 +151 151 0.796 1 0 +152 152 1.019 1 0 +153 153 1.231 1 0 +154 154 0.488 1 0 +155 155 0.918 1 0 +156 156 0.931 1 0 +157 157 0.747 1 0 +158 158 0.708 1 0 +159 159 0.898 1 0 +160 160 0.748 1 0 +161 161 0.913 1 0 +162 162 0.899 1 0 +163 163 0.828 1 0 +164 164 0.735 1 0 +165 165 0.452 1 0 +166 166 0.822 1 0 +167 167 1.132 1 0 +168 168 1.031 1 0 +169 169 0.964 1 0 +170 170 1.192 1 0 +171 171 1.751 1 0 +172 172 3.602 0 1 +173 173 4.508 0 1 +174 174 4.530 0 1 +175 175 2.038 1 0 +176 176 1.379 1 0 +177 177 1.036 1 0 +178 178 0.598 1 0 +179 179 0.675 1 0 +180 180 1.028 1 0 +181 181 0.699 1 0 +182 182 0.879 1 0 +183 183 0.349 1 0 +184 184 0.319 1 0 +185 185 0.452 1 0 +186 186 0.369 1 0 +187 187 0.604 1 0 +188 188 0.397 1 0 +189 189 0.338 1 0 +190 190 0.478 1 0 +191 191 0.152 1 0 +192 192 0.101 1 0 +193 193 0.316 1 0 +194 194 0.259 1 0 +195 195 0.148 1 0 +196 196 0.447 1 0 +197 197 0.398 1 0 +198 198 0.203 1 0 +199 199 0.156 1 0 +200 200 0.374 1 0 +201 201 0.575 1 0 +202 202 0.450 1 0 +203 203 0.517 1 0 +204 204 0.424 1 0 +205 205 0.747 1 0 +206 206 0.760 1 0 +207 207 0.761 1 0 +208 208 0.691 1 0 +209 209 0.664 1 0 +210 210 0.680 1 0 +211 211 0.692 1 0 +212 212 0.465 1 0 +213 213 0.668 1 0 +214 214 0.513 1 0 +215 215 0.385 1 0 +216 216 0.390 1 0 +217 217 0.194 1 0 +218 218 0.511 1 0 +219 219 0.487 1 0 +220 220 0.185 1 0 +221 221 0.307 1 0 +222 222 0.324 1 0 +223 223 0.116 1 0 +224 224 0.165 1 0 +225 225 0.219 1 0 +226 226 0.526 1 0 +227 227 0.614 1 0 +228 228 0.713 1 0 +229 229 0.851 1 0 +230 230 0.829 1 0 +231 231 0.562 1 0 +232 232 0.775 1 0 +233 233 0.774 1 0 +234 234 0.582 1 0 +235 235 0.528 1 0 +236 236 0.747 1 0 +237 237 0.941 1 0 +238 238 0.712 1 0 +239 239 1.174 1 0 +240 240 0.312 1 0 +241 241 0.558 1 0 +242 242 0.660 1 0 +243 243 0.760 1 0 +244 244 0.575 1 0 +245 245 0.570 1 0 +246 246 0.635 1 0 +247 247 0.601 1 0 +248 248 0.643 1 0 +249 249 0.763 1 0 +250 250 0.605 1 0 +251 251 0.781 1 0 +252 252 1.000 1 0 +253 253 1.022 1 0 +254 254 1.042 1 0 +255 255 0.931 1 0 +256 256 1.340 1 0 +257 257 1.229 1 0 +258 258 1.470 1 0 +259 259 0.934 1 0 +260 260 0.998 1 0 +261 261 0.823 1 0 +262 262 2.938 1 0 +263 263 4.003 0 1 +264 264 6.181 0 1 +265 265 6.700 0 1 +266 266 8.412 0 1 +267 267 9.095 0 1 +268 268 9.239 0 1 +269 269 11.106 0 1 +270 270 11.859 0 1 +271 271 13.625 0 1 +272 272 13.539 0 1 +273 273 11.881 0 1 +274 274 13.125 0 1 +275 275 13.369 0 1 +276 276 11.353 0 1 +277 277 10.862 0 1 +278 278 12.271 0 1 +279 279 11.269 0 1 +280 280 9.262 0 1 +281 281 9.638 0 1 +282 282 11.178 0 1 +283 283 10.801 0 1 +284 284 8.830 0 1 +285 285 7.827 0 1 +286 286 8.368 0 1 +287 287 7.336 0 1 +288 288 8.504 0 1 +289 289 8.590 0 1 +290 290 6.310 0 1 +291 291 6.681 0 1 +292 292 8.449 0 1 +293 293 7.457 0 1 +294 294 5.737 0 1 +295 295 7.267 0 1 +296 296 8.462 0 1 +297 297 7.204 0 1 +298 298 4.817 0 1 +299 299 3.601 0 1 +300 300 2.227 1 0 +301 301 0.623 1 0 +302 302 2.399 1 0 +303 303 3.511 0 1 +304 304 5.365 0 1 +305 305 5.888 0 1 +306 306 6.562 0 1 +307 307 5.051 0 1 +308 308 3.489 0 1 +309 309 4.622 0 1 +310 310 3.626 0 1 +311 311 1.900 1 0 +312 312 1.720 1 0 +313 313 1.283 1 0 +314 314 0.849 1 0 +315 315 0.670 1 0 +316 316 0.636 1 0 +317 317 0.726 1 0 +318 318 0.719 1 0 +319 319 0.782 1 0 +320 320 0.903 1 0 +321 321 1.170 1 0 +322 322 1.058 1 0 +323 323 0.926 1 0 +324 324 1.122 1 0 +325 325 1.360 1 0 +326 326 1.243 1 0 +327 327 1.336 1 0 +328 328 2.194 1 0 +329 329 1.448 1 0 +330 330 1.752 1 0 +331 331 1.724 1 0 +332 332 0.727 1 0 +333 333 1.268 1 0 +334 334 1.280 1 0 +335 335 1.177 1 0 +336 336 1.255 1 0 +337 337 1.293 1 0 +338 338 1.023 1 0 +339 339 1.116 1 0 +340 340 1.396 1 0 +341 341 1.313 1 0 +342 342 0.910 1 0 +343 343 0.805 1 0 +344 344 0.839 1 0 +345 345 0.881 1 0 +346 346 0.698 1 0 +347 347 0.653 1 0 +348 348 0.984 1 0 +349 349 1.027 1 0 +350 350 0.975 1 0 +351 351 1.021 1 0 +352 352 1.419 1 0 +353 353 1.358 1 0 +354 354 1.074 1 0 +355 355 0.931 1 0 +356 356 0.804 1 0 +357 357 0.697 1 0 +358 358 0.690 1 0 +359 359 0.678 1 0 +360 360 0.538 1 0 +361 361 0.269 1 0 +362 362 0.584 1 0 +363 363 0.566 1 0 +364 364 0.306 1 0 +365 365 0.271 1 0 +366 366 0.356 1 0 +367 367 0.227 1 0 +368 368 0.085 1 0 +369 369 0.199 1 0 +370 370 0.457 1 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_MEK1_3EQIA_3MBLA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_MEK1_3EQIA_3MBLA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..c5daa1b37a6149687e0106187dd1660baa0c2f34 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_MEK1_3EQIA_3MBLA/state_region_BLIND_proxy.tsv @@ -0,0 +1,319 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 1 0 +5 1 0 +6 1 0 +7 0 0 +8 0 0 +9 1 0 +10 1 0 +11 0 0 +12 1 0 +13 0 0 +14 0 0 +15 0 0 +16 0 0 +17 0 0 +18 0 0 +19 0 0 +20 0 0 +21 0 0 +22 0 0 +23 0 0 +24 0 0 +25 1 0 +26 1 0 +27 0 0 +28 1 0 +29 0 0 +30 0 0 +31 0 0 +32 0 1 +33 1 0 +34 0 1 +35 0 1 +36 1 0 +37 0 0 +38 0 1 +39 0 0 +40 0 0 +41 0 0 +42 0 0 +43 1 1 +44 0 0 +45 1 0 +46 0 0 +47 1 0 +48 0 1 +49 0 0 +50 0 0 +51 0 1 +52 0 0 +53 0 0 +54 0 1 +55 0 1 +56 0 0 +57 0 0 +58 0 0 +59 0 0 +60 0 1 +61 1 0 +62 0 1 +63 1 1 +64 0 1 +65 1 1 +66 0 1 +67 0 1 +68 0 1 +69 1 1 +70 0 1 +71 0 1 +72 0 0 +73 1 0 +74 1 1 +75 0 0 +76 0 0 +77 1 0 +78 0 1 +79 0 0 +80 1 0 +81 0 1 +82 0 1 +83 1 0 +84 0 1 +85 0 0 +86 0 0 +87 0 0 +88 1 0 +89 1 0 +90 0 1 +91 1 0 +92 0 0 +93 0 0 +94 0 0 +95 1 0 +96 0 1 +97 0 1 +98 0 0 +99 0 0 +100 0 1 +101 1 0 +102 0 1 +103 1 0 +104 1 0 +105 0 0 +106 0 0 +107 0 0 +108 0 0 +109 0 0 +110 0 0 +111 0 0 +112 0 0 +113 1 0 +114 0 0 +115 0 1 +116 1 0 +117 1 0 +118 0 0 +119 0 1 +120 0 1 +121 0 0 +122 0 1 +123 1 0 +124 0 0 +125 0 0 +126 0 1 +127 1 1 +128 1 0 +129 0 0 +130 0 1 +131 1 0 +132 0 0 +133 1 1 +134 0 0 +135 1 0 +136 1 0 +137 0 1 +138 0 0 +139 1 0 +140 0 1 +141 0 0 +142 1 0 +143 0 0 +144 0 1 +145 0 1 +146 0 0 +147 0 1 +148 1 0 +149 0 0 +150 0 0 +151 0 0 +152 0 0 +153 1 0 +154 0 0 +155 0 0 +156 0 0 +157 0 0 +158 1 0 +159 0 0 +160 1 0 +161 0 0 +162 0 1 +163 1 1 +164 0 0 +165 0 1 +166 1 0 +167 0 0 +168 1 0 +169 1 0 +170 0 0 +171 0 0 +172 0 0 +173 0 0 +174 0 0 +175 0 0 +176 0 1 +177 0 0 +178 0 1 +179 0 1 +180 0 0 +181 0 1 +182 0 0 +183 0 1 +184 0 0 +185 0 0 +186 0 0 +187 0 0 +188 0 0 +189 0 0 +190 0 1 +191 0 0 +192 0 0 +193 0 0 +194 0 0 +195 0 0 +196 0 0 +197 1 0 +198 0 1 +199 0 0 +200 0 1 +201 0 1 +202 0 0 +203 0 0 +204 1 1 +205 0 0 +206 0 0 +207 0 0 +208 1 0 +209 0 0 +210 0 0 +211 0 0 +212 0 0 +213 1 0 +214 0 0 +215 1 0 +216 1 0 +217 0 0 +218 0 0 +219 0 0 +220 1 0 +221 0 0 +222 0 0 +223 0 0 +224 0 0 +225 1 0 +226 0 1 +227 0 1 +228 0 1 +229 0 1 +230 0 1 +231 0 0 +232 0 0 +233 1 0 +234 0 0 +235 0 0 +236 0 0 +237 0 0 +238 0 0 +239 1 0 +240 0 0 +241 0 0 +242 0 0 +243 1 0 +244 0 0 +245 0 0 +246 1 0 +247 1 0 +248 0 1 +249 0 1 +250 1 0 +251 0 0 +252 0 1 +253 0 1 +254 0 0 +255 0 0 +256 0 0 +257 0 1 +258 1 0 +259 0 0 +260 0 1 +261 0 1 +262 0 1 +263 1 0 +264 0 0 +265 0 1 +266 0 0 +267 1 0 +268 0 1 +269 0 0 +270 1 0 +271 1 0 +272 0 1 +273 0 1 +274 1 0 +275 1 0 +276 0 1 +277 0 0 +278 0 0 +279 0 0 +280 0 1 +281 0 1 +282 0 0 +283 0 0 +284 0 0 +285 1 1 +286 0 1 +287 0 0 +288 1 0 +289 0 0 +290 0 1 +291 0 0 +292 0 0 +293 0 0 +294 1 0 +295 0 0 +296 0 0 +297 0 0 +298 0 0 +299 0 0 +300 0 0 +301 0 0 +302 1 0 +303 0 0 +304 1 0 +305 0 0 +306 0 0 +307 0 0 +308 1 0 +309 1 0 +310 0 0 +311 0 0 +312 1 0 +313 0 0 +314 0 0 +315 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_MEK1_3EQIA_3MBLA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_MEK1_3EQIA_3MBLA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..0536c85cdf4a0767396188e7c9d73c287557c3f5 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_MEK1_3EQIA_3MBLA/state_region_FINAL.tsv @@ -0,0 +1,294 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +23 61 0.747 1 0 +24 62 0.809 1 0 +25 63 0.729 1 0 +26 64 0.618 1 0 +27 65 0.274 1 0 +28 66 0.446 1 0 +29 67 0.447 1 0 +30 68 0.354 1 0 +31 69 0.543 1 0 +32 70 0.639 1 0 +33 71 0.678 1 0 +34 72 0.575 1 0 +35 73 0.504 1 0 +36 74 0.438 1 0 +37 75 0.824 1 0 +38 76 0.396 1 0 +39 77 0.608 1 0 +40 78 1.555 1 0 +41 79 2.199 1 0 +42 80 0.571 1 0 +43 81 0.269 1 0 +44 82 0.192 1 0 +45 83 0.461 1 0 +46 84 0.527 1 0 +47 85 0.418 1 0 +48 86 0.444 1 0 +49 87 0.169 1 0 +50 88 0.183 1 0 +51 89 0.206 1 0 +52 90 0.344 1 0 +53 91 0.330 1 0 +54 92 0.627 1 0 +55 93 0.601 1 0 +56 94 0.365 1 0 +57 95 0.235 1 0 +58 96 0.103 1 0 +59 97 0.228 1 0 +60 98 0.639 1 0 +61 99 0.846 1 0 +62 100 1.285 1 0 +63 101 1.728 1 0 +64 102 2.805 1 0 +65 103 2.248 1 0 +66 104 2.195 1 0 +67 105 1.595 1 0 +68 106 1.044 1 0 +69 107 1.624 1 0 +70 108 1.163 1 0 +71 109 1.004 1 0 +72 110 1.037 1 0 +73 111 0.652 1 0 +74 112 0.436 1 0 +75 113 0.387 1 0 +76 114 0.652 1 0 +77 115 0.313 1 0 +78 116 0.499 1 0 +79 117 0.987 1 0 +80 118 0.629 1 0 +81 119 0.732 1 0 +82 120 0.628 1 0 +83 121 0.789 1 0 +84 122 0.642 1 0 +85 123 0.314 1 0 +86 124 0.474 1 0 +87 125 0.364 1 0 +88 126 0.323 1 0 +89 127 0.235 1 0 +90 128 0.364 1 0 +91 129 0.489 1 0 +92 130 0.490 1 0 +93 131 0.514 1 0 +94 132 0.463 1 0 +95 133 0.435 1 0 +96 134 0.547 1 0 +97 135 0.600 1 0 +98 136 1.410 1 0 +99 137 1.040 1 0 +100 138 0.724 1 0 +101 139 0.669 1 0 +102 140 0.407 1 0 +103 141 0.322 1 0 +104 142 0.129 1 0 +105 143 0.341 1 0 +106 144 0.432 1 0 +107 145 0.480 1 0 +108 146 0.502 1 0 +109 147 0.453 1 0 +110 148 0.311 1 0 +111 149 0.309 1 0 +112 150 0.396 1 0 +113 151 0.407 1 0 +114 152 0.546 1 0 +115 153 0.356 1 0 +116 154 0.248 1 0 +117 155 0.374 1 0 +118 156 0.487 1 0 +119 157 0.528 1 0 +120 158 0.361 1 0 +121 159 0.346 1 0 +122 160 0.247 1 0 +123 161 0.088 1 0 +124 162 0.147 1 0 +125 163 0.170 1 0 +126 164 0.214 1 0 +127 165 0.293 1 0 +128 166 0.009 1 0 +129 167 0.118 1 0 +130 168 0.071 1 0 +131 169 0.110 1 0 +132 170 0.187 1 0 +133 171 0.204 1 0 +134 172 0.224 1 0 +135 173 0.146 1 0 +136 174 0.232 1 0 +137 175 0.286 1 0 +138 176 0.242 1 0 +139 177 0.392 1 0 +140 178 0.440 1 0 +141 179 0.449 1 0 +142 180 0.432 1 0 +143 181 0.424 1 0 +144 182 0.340 1 0 +145 183 0.466 1 0 +146 184 0.659 1 0 +147 185 0.724 1 0 +148 186 0.720 1 0 +149 187 0.555 1 0 +150 188 0.360 1 0 +151 189 0.875 1 0 +152 190 0.714 1 0 +153 191 0.405 1 0 +154 192 0.446 1 0 +155 193 0.480 1 0 +156 194 0.518 1 0 +157 195 0.568 1 0 +158 196 0.405 1 0 +159 197 0.334 1 0 +160 198 0.284 1 0 +161 199 0.284 1 0 +162 200 0.379 1 0 +163 201 0.571 1 0 +164 202 0.522 1 0 +165 203 0.303 1 0 +166 204 0.282 1 0 +167 205 0.410 1 0 +168 206 0.369 1 0 +169 207 0.428 1 0 +170 208 0.361 1 0 +171 209 0.402 1 0 +172 210 0.728 1 0 +173 211 1.080 1 0 +174 212 1.158 1 0 +175 213 1.848 1 0 +176 214 1.614 1 0 +177 215 1.818 1 0 +178 216 2.299 1 0 +179 217 2.028 1 0 +180 218 2.039 1 0 +181 219 2.497 1 0 +182 220 2.678 1 0 +183 221 3.609 0 1 +184 222 5.892 0 1 +185 223 6.606 0 1 +186 224 6.133 0 1 +187 225 7.809 0 1 +188 226 6.814 0 1 +189 227 6.709 0 1 +190 228 0.549 1 0 +191 229 0.402 1 0 +192 230 0.689 1 0 +193 231 0.700 1 0 +194 232 0.749 1 0 +195 233 1.007 1 0 +196 234 1.037 1 0 +197 235 1.106 1 0 +198 236 1.552 1 0 +199 237 1.219 1 0 +200 238 5.434 0 1 +201 239 3.685 0 1 +202 240 1.268 1 0 +203 241 1.891 1 0 +204 242 1.499 1 0 +205 243 1.096 1 0 +206 244 0.770 1 0 +207 245 0.424 1 0 +208 246 0.592 1 0 +209 247 0.687 1 0 +210 248 0.460 1 0 +211 249 0.335 1 0 +212 250 0.448 1 0 +213 251 0.283 1 0 +214 252 0.120 1 0 +215 253 0.083 1 0 +216 254 0.175 1 0 +217 255 0.195 1 0 +218 256 0.177 1 0 +219 257 0.324 1 0 +220 258 0.339 1 0 +221 259 0.431 1 0 +222 260 0.459 1 0 +223 261 0.383 1 0 +224 262 0.285 1 0 +225 263 0.322 1 0 +226 264 0.662 1 0 +227 265 0.463 1 0 +228 266 0.555 1 0 +229 267 0.305 1 0 +230 268 1.554 1 0 +231 269 2.020 1 0 +232 270 1.373 1 0 +233 271 0.959 1 0 +234 272 1.472 1 0 +235 273 1.305 1 0 +236 274 0.413 1 0 +237 275 0.800 1 0 +240 307 1.309 1 0 +241 308 0.881 1 0 +242 309 1.132 1 0 +243 310 2.194 1 0 +244 311 2.074 1 0 +245 312 1.385 1 0 +246 313 0.767 1 0 +247 314 0.901 1 0 +248 315 1.027 1 0 +249 316 0.635 1 0 +250 317 0.348 1 0 +251 318 0.316 1 0 +252 319 0.085 1 0 +253 320 0.224 1 0 +254 321 0.394 1 0 +255 322 0.409 1 0 +256 323 0.100 1 0 +257 324 0.559 1 0 +258 325 0.449 1 0 +259 326 0.435 1 0 +260 327 0.695 1 0 +261 328 0.757 1 0 +262 329 0.604 1 0 +263 330 0.501 1 0 +264 331 0.574 1 0 +265 332 0.479 1 0 +266 333 0.660 1 0 +267 334 0.609 1 0 +268 335 0.432 1 0 +269 336 0.638 1 0 +270 337 0.495 1 0 +271 338 0.487 1 0 +272 339 0.396 1 0 +273 340 0.367 1 0 +274 341 0.496 1 0 +275 342 0.484 1 0 +276 343 0.719 1 0 +277 344 0.708 1 0 +278 345 0.907 1 0 +279 346 0.980 1 0 +280 347 1.264 1 0 +281 348 1.083 1 0 +282 349 0.773 1 0 +283 350 0.812 1 0 +284 351 0.894 1 0 +285 352 0.665 1 0 +286 353 0.750 1 0 +287 354 0.642 1 0 +288 355 0.307 1 0 +289 356 0.457 1 0 +290 357 0.580 1 0 +291 358 0.402 1 0 +292 359 0.384 1 0 +293 360 0.301 1 0 +294 361 0.158 1 0 +295 362 0.288 1 0 +296 363 0.243 1 0 +297 364 0.118 1 0 +298 365 0.259 1 0 +299 366 0.163 1 0 +300 367 0.205 1 0 +301 368 0.359 1 0 +302 369 0.331 1 0 +303 370 0.353 1 0 +304 371 0.384 1 0 +305 372 0.633 1 0 +306 373 0.398 1 0 +307 374 0.303 1 0 +308 375 0.383 1 0 +309 376 0.751 1 0 +310 377 0.996 1 0 +311 378 0.671 1 0 +312 379 0.801 1 0 +313 380 1.053 1 0 +314 381 1.416 1 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_PHOB_1B00A_1ZESA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_PHOB_1B00A_1ZESA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..6892caca58f9917c86734b7987f518c1cff9e09b --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_PHOB_1B00A_1ZESA/state_region_BLIND_proxy.tsv @@ -0,0 +1,126 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 1 0 +5 1 0 +6 1 0 +7 1 0 +8 0 0 +9 0 0 +10 0 0 +11 0 1 +12 0 1 +13 1 0 +14 0 0 +15 0 1 +16 0 0 +17 1 0 +18 0 1 +19 0 1 +20 1 1 +21 1 0 +22 0 0 +23 0 1 +24 0 1 +25 0 0 +26 0 0 +27 0 1 +28 0 0 +29 1 1 +30 0 1 +31 0 0 +32 0 1 +33 0 0 +34 0 0 +35 0 1 +36 0 0 +37 0 0 +38 1 0 +39 0 1 +40 0 1 +41 1 0 +42 0 1 +43 0 1 +44 0 1 +45 0 1 +46 0 0 +47 0 0 +48 1 0 +49 1 0 +50 1 0 +51 1 0 +52 0 0 +53 0 0 +54 0 0 +55 0 0 +56 0 0 +57 0 0 +58 0 0 +59 0 0 +60 0 0 +61 1 0 +62 0 0 +63 1 0 +64 1 0 +65 0 0 +66 0 1 +67 1 0 +68 0 0 +69 0 1 +70 0 1 +71 0 1 +72 0 1 +73 0 0 +74 0 1 +75 0 1 +76 1 0 +77 0 0 +78 1 0 +79 1 0 +80 0 0 +81 1 0 +82 0 0 +83 0 0 +84 1 0 +85 0 1 +86 0 1 +87 0 0 +88 0 1 +89 0 0 +90 1 0 +91 0 0 +92 1 1 +93 0 0 +94 0 0 +95 0 0 +96 0 0 +97 0 0 +98 0 0 +99 0 0 +100 0 0 +101 0 0 +102 1 0 +103 0 0 +104 0 0 +105 0 0 +106 0 0 +107 0 0 +108 0 0 +109 0 1 +110 0 0 +111 1 0 +112 1 0 +113 0 0 +114 0 0 +115 1 0 +116 0 0 +117 0 0 +118 1 0 +119 0 0 +120 0 0 +121 0 0 +122 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_PHOB_1B00A_1ZESA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_PHOB_1B00A_1ZESA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..53d1c92a761f43cc2b4b04a8b31bfafcd3ea6a0f --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_PHOB_1B00A_1ZESA/state_region_FINAL.tsv @@ -0,0 +1,125 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +2 3 0.815 1 0 +3 4 0.514 1 0 +4 5 0.296 1 0 +5 6 0.414 1 0 +6 7 0.402 1 0 +7 8 0.396 1 0 +8 9 0.516 1 0 +9 10 0.659 1 0 +10 11 0.627 1 0 +11 12 1.270 1 0 +12 13 1.323 1 0 +13 14 0.622 1 0 +14 15 0.466 1 0 +15 16 0.972 1 0 +16 17 1.016 1 0 +17 18 0.445 1 0 +18 19 0.376 1 0 +19 20 0.455 1 0 +20 21 0.357 1 0 +21 22 0.402 1 0 +22 23 0.364 1 0 +23 24 0.745 1 0 +24 25 0.924 1 0 +25 26 1.087 1 0 +26 27 0.364 1 0 +27 28 0.170 1 0 +28 29 0.425 1 0 +29 30 0.399 1 0 +30 31 0.414 1 0 +31 32 0.407 1 0 +32 33 0.293 1 0 +33 34 0.111 1 0 +34 35 0.192 1 0 +35 36 0.141 1 0 +36 37 0.307 1 0 +37 38 0.458 1 0 +38 39 0.519 1 0 +39 40 0.726 1 0 +40 41 0.851 1 0 +41 42 1.438 1 0 +42 43 1.197 1 0 +43 44 0.766 1 0 +44 45 0.104 1 0 +45 46 0.581 1 0 +46 47 0.758 1 0 +47 48 0.664 1 0 +48 49 0.371 1 0 +49 50 0.450 1 0 +50 51 0.637 1 0 +51 52 0.706 1 0 +52 53 0.353 1 0 +53 54 0.666 1 0 +54 55 0.690 1 0 +55 56 1.452 1 0 +56 57 1.487 1 0 +57 58 0.825 1 0 +58 59 0.705 1 0 +59 60 2.619 1 0 +60 61 1.749 1 0 +61 62 1.847 1 0 +62 63 2.093 1 0 +63 64 1.031 1 0 +64 65 0.690 1 0 +65 66 1.581 1 0 +66 67 1.604 1 0 +67 68 1.126 1 0 +68 69 1.975 1 0 +69 70 2.976 1 0 +70 71 2.951 1 0 +71 72 3.576 0 1 +72 73 2.941 1 0 +73 74 0.916 1 0 +74 75 1.040 1 0 +75 76 0.638 1 0 +76 77 0.410 1 0 +77 78 0.379 1 0 +78 79 0.423 1 0 +79 80 0.637 1 0 +80 81 0.989 1 0 +81 82 1.252 1 0 +82 83 1.890 1 0 +83 84 1.601 1 0 +84 85 6.399 0 1 +85 86 3.748 0 1 +86 87 2.865 1 0 +87 88 7.027 0 1 +88 89 7.310 0 1 +89 90 5.215 0 1 +90 91 5.224 0 1 +91 92 5.297 0 1 +92 93 4.562 0 1 +93 94 6.960 0 1 +94 95 7.094 0 1 +95 96 3.865 0 1 +96 97 2.395 1 0 +97 98 1.606 1 0 +98 99 0.992 1 0 +99 100 0.963 1 0 +100 101 0.482 1 0 +101 102 0.832 1 0 +102 103 1.249 1 0 +103 104 1.456 1 0 +104 105 1.216 1 0 +105 106 1.952 1 0 +106 107 2.260 1 0 +107 108 1.151 1 0 +108 109 0.812 1 0 +109 110 0.368 1 0 +110 111 0.832 1 0 +111 112 0.967 1 0 +112 113 0.669 1 0 +113 114 0.329 1 0 +114 115 0.391 1 0 +115 116 0.374 1 0 +116 117 0.423 1 0 +117 118 0.346 1 0 +118 119 0.663 1 0 +119 120 1.050 1 0 +120 121 1.044 1 0 +121 122 1.388 1 0 +122 123 3.697 0 1 diff --git a/bench/main_benchmark/annotations/SFB_AL_PKA_1ATPE_2CPKE/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_PKA_1ATPE_2CPKE/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..947a5dae90f2849670d5073755e2658cc9b9d6d5 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_PKA_1ATPE_2CPKE/state_region_BLIND_proxy.tsv @@ -0,0 +1,338 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 1 0 +6 0 0 +7 1 0 +8 0 0 +9 0 0 +10 0 0 +11 1 0 +12 0 0 +13 0 0 +14 1 0 +15 0 0 +16 0 0 +17 1 0 +18 0 0 +19 0 0 +20 0 0 +21 0 0 +22 0 0 +23 0 0 +24 0 0 +25 0 0 +26 1 0 +27 0 1 +28 0 0 +29 1 0 +30 0 1 +31 0 1 +32 1 0 +33 0 0 +34 0 0 +35 1 0 +36 0 0 +37 0 1 +38 0 0 +39 0 0 +40 0 0 +41 0 0 +42 0 0 +43 1 0 +44 1 1 +45 1 0 +46 1 0 +47 0 0 +48 0 1 +49 0 0 +50 0 1 +51 0 0 +52 0 0 +53 0 1 +54 0 1 +55 0 0 +56 0 0 +57 1 0 +58 0 0 +59 1 0 +60 0 0 +61 0 1 +62 0 0 +63 0 1 +64 0 1 +65 1 0 +66 0 1 +67 0 1 +68 0 1 +69 0 1 +70 0 0 +71 1 0 +72 0 0 +73 0 0 +74 0 0 +75 0 1 +76 0 1 +77 0 0 +78 0 0 +79 0 1 +80 1 0 +81 1 0 +82 0 1 +83 0 1 +84 1 0 +85 0 1 +86 1 0 +87 0 0 +88 1 0 +89 1 0 +90 1 0 +91 0 1 +92 1 0 +93 0 1 +94 1 1 +95 0 0 +96 1 0 +97 0 0 +98 0 0 +99 0 1 +100 0 1 +101 0 1 +102 1 0 +103 0 0 +104 0 0 +105 1 0 +106 0 0 +107 0 0 +108 0 0 +109 1 0 +110 0 1 +111 0 0 +112 0 0 +113 0 0 +114 0 0 +115 0 0 +116 0 1 +117 0 0 +118 1 0 +119 0 1 +120 0 0 +121 1 1 +122 0 0 +123 0 1 +124 1 0 +125 0 0 +126 0 0 +127 0 1 +128 0 1 +129 0 0 +130 0 0 +131 1 0 +132 0 0 +133 0 0 +134 0 0 +135 0 0 +136 1 0 +137 1 0 +138 1 0 +139 0 0 +140 1 0 +141 0 0 +142 0 0 +143 1 0 +144 0 0 +145 0 1 +146 1 1 +147 0 0 +148 1 0 +149 1 0 +150 0 0 +151 0 0 +152 0 0 +153 1 0 +154 0 0 +155 0 0 +156 0 0 +157 0 0 +158 1 0 +159 1 0 +160 1 0 +161 0 0 +162 0 1 +163 0 1 +164 0 0 +165 0 0 +166 1 0 +167 0 0 +168 1 0 +169 0 0 +170 0 0 +171 0 0 +172 0 0 +173 0 0 +174 0 0 +175 0 0 +176 0 1 +177 1 1 +178 0 1 +179 0 1 +180 0 0 +181 0 1 +182 0 0 +183 1 0 +184 0 0 +185 0 0 +186 0 0 +187 0 0 +188 0 0 +189 0 0 +190 1 0 +191 0 0 +192 0 0 +193 0 0 +194 1 0 +195 1 0 +196 1 1 +197 0 1 +198 0 0 +199 0 0 +200 0 0 +201 0 0 +202 0 1 +203 0 0 +204 1 0 +205 0 0 +206 0 0 +207 0 0 +208 0 0 +209 1 0 +210 0 0 +211 1 0 +212 1 0 +213 1 0 +214 0 0 +215 0 0 +216 0 0 +217 0 0 +218 0 0 +219 0 0 +220 0 1 +221 0 0 +222 0 0 +223 1 0 +224 0 1 +225 0 1 +226 0 1 +227 0 0 +228 0 1 +229 1 1 +230 0 1 +231 1 0 +232 0 0 +233 0 1 +234 0 0 +235 1 0 +236 1 0 +237 0 1 +238 0 0 +239 0 1 +240 1 0 +241 0 1 +242 1 0 +243 0 0 +244 0 1 +245 0 1 +246 1 0 +247 0 0 +248 0 1 +249 0 1 +250 1 0 +251 0 0 +252 0 0 +253 1 0 +254 1 0 +255 0 1 +256 0 0 +257 1 0 +258 1 0 +259 0 1 +260 1 1 +261 0 0 +262 0 0 +263 0 1 +264 0 0 +265 0 0 +266 1 0 +267 0 0 +268 0 0 +269 0 0 +270 0 0 +271 0 1 +272 0 0 +273 1 1 +274 0 1 +275 0 0 +276 1 0 +277 0 0 +278 0 1 +279 0 0 +280 0 0 +281 0 0 +282 1 0 +283 0 1 +284 0 1 +285 0 0 +286 0 0 +287 0 0 +288 1 1 +289 0 1 +290 1 0 +291 0 1 +292 0 1 +293 0 0 +294 0 1 +295 1 1 +296 0 1 +297 0 0 +298 0 0 +299 0 0 +300 0 1 +301 0 0 +302 0 1 +303 0 0 +304 0 1 +305 0 0 +306 0 1 +307 0 1 +308 0 0 +309 0 0 +310 0 0 +311 0 0 +312 0 0 +313 0 0 +314 0 0 +315 0 0 +316 0 0 +317 0 0 +318 0 0 +319 0 0 +320 1 0 +321 1 0 +322 0 0 +323 1 0 +324 0 0 +325 0 0 +326 0 0 +327 1 0 +328 0 0 +329 0 0 +330 0 0 +331 0 0 +332 0 0 +333 0 0 +334 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_PKA_1ATPE_2CPKE/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_PKA_1ATPE_2CPKE/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..7a377223728c98d320c5cf3c09467128ea0b1fe3 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_PKA_1ATPE_2CPKE/state_region_FINAL.tsv @@ -0,0 +1,337 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 15 0.790 1 0 +2 16 0.588 1 0 +3 17 0.596 1 0 +4 18 0.564 1 0 +5 19 0.162 1 0 +6 20 0.453 1 0 +7 21 0.186 1 0 +8 22 0.323 1 0 +9 23 0.252 1 0 +10 24 0.229 1 0 +11 25 0.347 1 0 +12 26 0.470 1 0 +13 27 0.289 1 0 +14 28 0.248 1 0 +15 29 0.184 1 0 +16 30 0.130 1 0 +17 31 0.182 1 0 +18 32 0.372 1 0 +19 33 0.259 1 0 +20 34 0.459 1 0 +21 35 0.405 1 0 +22 36 0.285 1 0 +23 37 0.430 1 0 +24 38 0.494 1 0 +25 39 0.470 1 0 +26 40 0.574 1 0 +27 41 0.569 1 0 +28 42 0.470 1 0 +29 43 0.243 1 0 +30 44 0.468 1 0 +31 45 0.287 1 0 +32 46 0.366 1 0 +33 47 0.255 1 0 +34 48 0.341 1 0 +35 49 0.432 1 0 +36 50 0.594 1 0 +37 51 0.872 1 0 +38 52 0.860 1 0 +39 53 0.745 1 0 +40 54 1.304 1 0 +41 55 1.334 1 0 +42 56 0.308 1 0 +43 57 0.181 1 0 +44 58 0.306 1 0 +45 59 0.076 1 0 +46 60 0.119 1 0 +47 61 0.353 1 0 +48 62 0.214 1 0 +49 63 0.466 1 0 +50 64 0.548 1 0 +51 65 0.369 1 0 +52 66 0.084 1 0 +53 67 0.290 1 0 +54 68 0.224 1 0 +55 69 0.064 1 0 +56 70 0.216 1 0 +57 71 0.317 1 0 +58 72 0.277 1 0 +59 73 0.163 1 0 +60 74 0.126 1 0 +61 75 0.193 1 0 +62 76 0.242 1 0 +63 77 0.318 1 0 +64 78 0.231 1 0 +65 79 0.170 1 0 +66 80 0.103 1 0 +67 81 0.235 1 0 +68 82 0.368 1 0 +69 83 0.256 1 0 +70 84 0.317 1 0 +71 85 0.142 1 0 +72 86 0.223 1 0 +73 87 0.230 1 0 +74 88 0.078 1 0 +75 89 0.338 1 0 +76 90 0.277 1 0 +77 91 0.136 1 0 +78 92 0.205 1 0 +79 93 0.300 1 0 +80 94 0.391 1 0 +81 95 0.403 1 0 +82 96 0.485 1 0 +83 97 0.502 1 0 +84 98 0.360 1 0 +85 99 0.369 1 0 +86 100 0.056 1 0 +87 101 0.202 1 0 +88 102 0.381 1 0 +89 103 0.220 1 0 +90 104 0.193 1 0 +91 105 0.396 1 0 +92 106 0.380 1 0 +93 107 0.487 1 0 +94 108 0.290 1 0 +95 109 0.498 1 0 +96 110 0.364 1 0 +97 111 0.236 1 0 +98 112 0.192 1 0 +99 113 0.252 1 0 +100 114 0.269 1 0 +101 115 0.362 1 0 +102 116 0.100 1 0 +103 117 0.126 1 0 +104 118 0.176 1 0 +105 119 0.225 1 0 +106 120 0.390 1 0 +107 121 0.168 1 0 +108 122 0.186 1 0 +109 123 0.520 1 0 +110 124 0.321 1 0 +111 125 0.275 1 0 +112 126 0.191 1 0 +113 127 0.260 1 0 +114 128 0.183 1 0 +115 129 0.238 1 0 +116 130 0.279 1 0 +117 131 0.145 1 0 +118 132 0.192 1 0 +119 133 0.209 1 0 +120 134 0.391 1 0 +121 135 0.322 1 0 +122 136 0.315 1 0 +123 137 0.318 1 0 +124 138 0.097 1 0 +126 140 0.185 1 0 +127 141 0.329 1 0 +128 142 0.338 1 0 +129 143 0.508 1 0 +130 144 0.117 1 0 +131 145 0.208 1 0 +132 146 0.139 1 0 +133 147 0.100 1 0 +134 148 0.369 1 0 +135 149 0.273 1 0 +136 150 0.277 1 0 +137 151 0.569 1 0 +138 152 0.368 1 0 +139 153 0.176 1 0 +140 154 0.247 1 0 +141 155 0.235 1 0 +142 156 0.184 1 0 +143 157 0.284 1 0 +144 158 0.250 1 0 +145 159 0.211 1 0 +146 160 0.105 1 0 +147 161 0.277 1 0 +148 162 0.295 1 0 +149 163 0.155 1 0 +150 164 0.124 1 0 +151 165 0.512 1 0 +152 166 0.212 1 0 +153 167 0.201 1 0 +154 168 0.301 1 0 +155 169 0.389 1 0 +156 170 0.324 1 0 +157 171 0.544 1 0 +158 172 0.563 1 0 +159 173 0.203 1 0 +160 174 0.274 1 0 +161 175 0.352 1 0 +162 176 0.148 1 0 +163 177 0.379 1 0 +164 178 0.293 1 0 +165 179 0.135 1 0 +166 180 0.169 1 0 +167 181 0.420 1 0 +168 182 0.448 1 0 +169 183 0.181 1 0 +170 184 0.542 1 0 +171 185 0.061 1 0 +172 186 0.089 1 0 +173 187 0.177 1 0 +174 188 0.280 1 0 +175 189 0.369 1 0 +176 190 0.266 1 0 +177 191 0.164 1 0 +178 192 0.308 1 0 +179 193 0.523 1 0 +180 194 0.244 1 0 +181 195 0.034 1 0 +182 196 0.113 1 0 +183 198 0.183 1 0 +184 199 0.640 1 0 +185 200 0.188 1 0 +186 201 0.271 1 0 +187 202 0.295 1 0 +188 203 0.286 1 0 +189 204 0.238 1 0 +190 205 0.299 1 0 +191 206 0.397 1 0 +192 207 0.327 1 0 +193 208 0.044 1 0 +194 209 0.175 1 0 +195 210 0.264 1 0 +196 211 0.403 1 0 +197 212 0.437 1 0 +198 213 0.371 1 0 +199 214 0.192 1 0 +200 215 0.294 1 0 +201 216 0.314 1 0 +202 217 0.240 1 0 +203 218 0.314 1 0 +204 219 0.189 1 0 +205 220 0.136 1 0 +206 221 0.101 1 0 +207 222 0.115 1 0 +208 223 0.057 1 0 +209 224 0.261 1 0 +210 225 0.374 1 0 +211 226 0.172 1 0 +212 227 0.102 1 0 +213 228 0.092 1 0 +214 229 0.298 1 0 +215 230 0.257 1 0 +216 231 0.120 1 0 +217 232 0.135 1 0 +218 233 0.341 1 0 +219 234 0.360 1 0 +220 235 0.200 1 0 +221 236 0.284 1 0 +222 237 0.323 1 0 +223 238 0.271 1 0 +224 239 0.408 1 0 +225 240 0.317 1 0 +226 241 0.383 1 0 +227 242 0.464 1 0 +228 243 0.167 1 0 +229 244 0.272 1 0 +230 245 0.159 1 0 +231 246 0.190 1 0 +232 247 0.196 1 0 +233 248 0.286 1 0 +234 249 0.139 1 0 +235 250 0.371 1 0 +236 251 0.514 1 0 +237 252 0.860 1 0 +238 253 1.430 1 0 +239 254 0.301 1 0 +240 255 0.053 1 0 +241 256 0.365 1 0 +242 257 0.071 1 0 +243 258 0.306 1 0 +244 259 0.241 1 0 +245 260 0.191 1 0 +246 261 0.158 1 0 +247 262 0.301 1 0 +248 263 0.255 1 0 +249 264 0.299 1 0 +250 265 0.270 1 0 +251 266 0.203 1 0 +252 267 0.319 1 0 +253 268 0.452 1 0 +254 269 0.345 1 0 +255 270 0.344 1 0 +256 271 0.342 1 0 +257 272 0.130 1 0 +258 273 0.361 1 0 +259 274 0.169 1 0 +260 275 0.355 1 0 +261 276 0.330 1 0 +262 277 0.319 1 0 +263 278 0.271 1 0 +264 279 0.428 1 0 +265 280 0.285 1 0 +266 281 0.224 1 0 +267 282 0.288 1 0 +268 283 0.145 1 0 +269 284 0.071 1 0 +270 285 0.492 1 0 +271 286 0.654 1 0 +272 287 0.231 1 0 +273 288 0.051 1 0 +274 289 0.227 1 0 +275 290 0.117 1 0 +276 291 0.209 1 0 +277 292 0.133 1 0 +278 293 0.370 1 0 +279 294 0.409 1 0 +280 295 0.299 1 0 +281 296 0.274 1 0 +282 297 0.301 1 0 +283 298 0.291 1 0 +284 299 0.605 1 0 +285 300 0.282 1 0 +286 301 0.211 1 0 +287 302 0.142 1 0 +288 303 0.284 1 0 +289 304 0.432 1 0 +290 305 0.430 1 0 +291 306 0.292 1 0 +292 307 0.127 1 0 +293 308 0.168 1 0 +294 309 0.613 1 0 +295 310 0.234 1 0 +296 311 1.267 1 0 +297 312 0.553 1 0 +298 313 0.247 1 0 +299 314 0.271 1 0 +300 315 0.085 1 0 +301 316 0.613 1 0 +302 317 0.693 1 0 +303 318 0.835 1 0 +304 319 0.348 1 0 +305 320 1.138 1 0 +306 321 0.497 1 0 +307 322 0.380 1 0 +308 323 0.444 1 0 +309 324 0.177 1 0 +310 325 0.256 1 0 +311 326 0.288 1 0 +312 327 0.250 1 0 +313 328 0.060 1 0 +314 329 0.207 1 0 +315 330 0.488 1 0 +316 331 0.488 1 0 +317 332 0.177 1 0 +318 333 0.439 1 0 +319 334 0.427 1 0 +320 335 0.844 1 0 +321 336 0.626 1 0 +322 337 0.345 1 0 +323 339 0.694 1 0 +324 340 0.278 1 0 +325 341 0.474 1 0 +326 342 0.607 1 0 +327 343 0.660 1 0 +328 344 0.496 1 0 +329 345 0.335 1 0 +330 346 0.223 1 0 +331 347 0.153 1 0 +332 348 0.245 1 0 +333 349 0.207 1 0 +334 350 0.210 1 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_RAS_4Q21A_5P21A/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_RAS_4Q21A_5P21A/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..d66a34dda0a456504696e51f2292b345328feb94 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_RAS_4Q21A_5P21A/state_region_BLIND_proxy.tsv @@ -0,0 +1,173 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 1 0 +7 1 0 +8 1 0 +9 1 0 +10 0 0 +11 0 0 +12 0 0 +13 0 0 +14 1 0 +15 0 0 +16 0 0 +17 0 0 +18 0 0 +19 1 0 +20 0 0 +21 1 1 +22 0 0 +23 1 0 +24 1 1 +25 0 1 +26 0 0 +27 0 1 +28 0 0 +29 0 1 +30 0 0 +31 0 1 +32 0 0 +33 0 0 +34 0 0 +35 0 0 +36 0 0 +37 0 0 +38 0 0 +39 0 0 +40 0 0 +41 0 0 +42 0 0 +43 0 1 +44 1 0 +45 0 1 +46 1 0 +47 0 0 +48 0 0 +49 0 1 +50 0 1 +51 1 0 +52 0 1 +53 1 0 +54 0 0 +55 1 0 +56 1 0 +57 0 0 +58 0 0 +59 0 0 +60 0 0 +61 0 0 +62 0 0 +63 0 0 +64 0 0 +65 0 1 +66 0 0 +67 0 0 +68 0 0 +69 0 1 +70 0 1 +71 0 0 +72 0 0 +73 0 0 +74 0 1 +75 0 0 +76 0 1 +77 0 0 +78 1 0 +79 1 0 +80 1 0 +81 1 0 +82 1 0 +83 0 0 +84 1 0 +85 0 0 +86 0 0 +87 0 0 +88 0 1 +89 0 0 +90 1 0 +91 0 0 +92 0 1 +93 1 0 +94 0 1 +95 0 1 +96 0 0 +97 0 1 +98 0 1 +99 0 0 +100 1 0 +101 0 1 +102 1 0 +103 0 1 +104 0 0 +105 0 1 +106 0 1 +107 0 1 +108 0 1 +109 1 0 +110 0 0 +111 1 0 +112 1 0 +113 1 0 +114 1 0 +115 0 0 +116 0 0 +117 0 0 +118 1 0 +119 1 0 +120 0 0 +121 0 1 +122 0 1 +123 0 0 +124 0 1 +125 1 0 +126 0 0 +127 0 1 +128 1 0 +129 0 0 +130 0 0 +131 0 1 +132 1 1 +133 1 0 +134 0 0 +135 0 1 +136 0 1 +137 0 1 +138 0 0 +139 1 1 +140 0 1 +141 0 0 +142 1 0 +143 0 0 +144 0 0 +145 0 0 +146 0 0 +147 0 0 +148 0 0 +149 0 0 +150 0 1 +151 0 0 +152 1 0 +153 0 0 +154 0 0 +155 0 0 +156 1 0 +157 0 1 +158 0 1 +159 1 0 +160 1 0 +161 0 0 +162 0 1 +163 1 0 +164 0 0 +165 0 0 +166 0 0 +167 0 0 +168 0 0 +169 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_RAS_4Q21A_5P21A/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_RAS_4Q21A_5P21A/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..57548729d2b23b606bc84e8528d7f327393f3c2d --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_RAS_4Q21A_5P21A/state_region_FINAL.tsv @@ -0,0 +1,170 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 2.630 1 0 +2 2 1.381 1 0 +3 3 0.446 1 0 +4 4 0.197 1 0 +5 5 0.163 1 0 +6 6 0.308 1 0 +7 7 0.371 1 0 +8 8 0.158 1 0 +9 9 0.243 1 0 +10 10 0.276 1 0 +11 11 0.388 1 0 +12 12 0.688 1 0 +13 13 0.445 1 0 +14 14 0.372 1 0 +15 15 0.584 1 0 +16 16 0.271 1 0 +17 17 0.420 1 0 +18 18 0.125 1 0 +19 19 0.251 1 0 +20 20 0.401 1 0 +21 21 0.340 1 0 +22 22 0.447 1 0 +23 23 0.433 1 0 +24 24 0.575 1 0 +25 25 0.453 1 0 +26 26 0.663 1 0 +27 27 0.376 1 0 +28 28 0.459 1 0 +29 29 0.700 1 0 +30 30 1.638 1 0 +31 31 1.499 1 0 +32 32 5.077 0 1 +33 33 1.663 1 0 +34 34 0.765 1 0 +35 35 2.970 1 0 +36 36 3.270 0 1 +37 37 1.347 1 0 +38 38 0.332 1 0 +39 39 0.649 1 0 +40 40 0.499 1 0 +41 41 1.146 1 0 +42 42 1.763 1 0 +43 43 1.740 1 0 +44 44 1.531 1 0 +45 45 1.291 1 0 +46 46 1.230 1 0 +47 47 1.201 1 0 +48 48 1.188 1 0 +49 49 0.852 1 0 +50 50 1.091 1 0 +51 51 1.612 1 0 +52 52 0.542 1 0 +53 53 0.562 1 0 +54 54 0.341 1 0 +55 55 0.451 1 0 +56 56 0.460 1 0 +57 57 0.365 1 0 +58 58 0.285 1 0 +59 59 0.755 1 0 +60 60 5.048 0 1 +61 61 2.280 1 0 +62 62 2.620 1 0 +63 63 2.776 1 0 +64 64 3.707 0 1 +65 65 8.769 0 1 +66 66 10.338 0 1 +67 67 8.533 0 1 +68 68 5.017 0 1 +69 69 4.100 0 1 +70 70 3.536 0 1 +71 71 2.697 1 0 +72 72 1.419 1 0 +73 73 0.462 1 0 +74 74 1.061 1 0 +75 75 0.682 1 0 +76 76 0.556 1 0 +77 77 0.197 1 0 +78 78 0.333 1 0 +79 79 0.247 1 0 +80 80 0.241 1 0 +81 81 0.118 1 0 +82 82 0.293 1 0 +83 83 0.243 1 0 +84 84 0.509 1 0 +85 85 0.564 1 0 +86 86 0.453 1 0 +87 87 0.265 1 0 +88 88 0.329 1 0 +89 89 0.377 1 0 +90 90 0.349 1 0 +91 91 0.450 1 0 +92 92 0.515 1 0 +93 93 0.518 1 0 +94 94 0.561 1 0 +95 95 0.474 1 0 +96 96 0.493 1 0 +97 97 0.330 1 0 +98 98 0.595 1 0 +99 99 0.853 1 0 +100 100 0.704 1 0 +101 101 0.793 1 0 +102 102 1.053 1 0 +103 103 0.802 1 0 +104 104 0.569 1 0 +105 105 1.432 1 0 +106 106 0.908 1 0 +107 107 0.641 1 0 +108 108 0.983 1 0 +109 109 0.568 1 0 +110 110 0.507 1 0 +111 111 0.244 1 0 +112 112 0.206 1 0 +113 113 0.358 1 0 +114 114 0.316 1 0 +115 115 0.209 1 0 +116 116 0.183 1 0 +117 117 0.409 1 0 +118 118 0.567 1 0 +119 119 0.502 1 0 +120 120 0.314 1 0 +121 121 0.386 1 0 +122 122 0.557 1 0 +123 123 0.394 1 0 +124 124 0.518 1 0 +125 125 0.545 1 0 +126 126 0.699 1 0 +127 127 0.712 1 0 +128 128 0.536 1 0 +129 129 0.531 1 0 +130 130 0.560 1 0 +131 131 0.640 1 0 +132 132 0.842 1 0 +133 133 0.551 1 0 +134 134 0.598 1 0 +135 135 0.393 1 0 +136 136 0.448 1 0 +137 137 0.311 1 0 +138 138 0.291 1 0 +139 139 0.167 1 0 +140 140 0.176 1 0 +141 141 0.592 1 0 +142 142 0.511 1 0 +143 143 0.497 1 0 +144 144 0.394 1 0 +145 145 0.299 1 0 +146 146 0.310 1 0 +147 147 0.407 1 0 +148 148 0.328 1 0 +149 149 0.427 1 0 +150 150 0.520 1 0 +151 151 0.270 1 0 +152 152 0.119 1 0 +153 153 0.213 1 0 +154 154 0.253 1 0 +155 155 0.140 1 0 +156 156 0.188 1 0 +157 157 0.107 1 0 +158 158 0.231 1 0 +159 159 0.241 1 0 +160 160 0.330 1 0 +161 161 0.259 1 0 +162 162 0.167 1 0 +163 163 0.310 1 0 +164 164 0.461 1 0 +165 165 0.568 1 0 +166 166 0.564 1 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_RBP_1URPA_2DRIA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_RBP_1URPA_2DRIA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..d00513a294702f56a7a794e4af547712ee1fb7e2 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_RBP_1URPA_2DRIA/state_region_BLIND_proxy.tsv @@ -0,0 +1,275 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 1 0 +5 0 0 +6 1 0 +7 1 0 +8 1 1 +9 0 1 +10 0 0 +11 0 0 +12 0 1 +13 0 0 +14 0 0 +15 0 0 +16 0 0 +17 0 0 +18 0 1 +19 1 0 +20 0 1 +21 0 1 +22 0 0 +23 0 0 +24 0 0 +25 0 1 +26 0 0 +27 0 0 +28 0 0 +29 0 0 +30 1 1 +31 0 0 +32 0 0 +33 0 0 +34 1 0 +35 1 1 +36 1 0 +37 1 1 +38 0 0 +39 0 0 +40 0 0 +41 0 1 +42 0 0 +43 0 1 +44 0 0 +45 0 0 +46 0 0 +47 1 0 +48 0 1 +49 0 0 +50 1 0 +51 0 0 +52 0 0 +53 1 0 +54 0 0 +55 0 1 +56 0 0 +57 0 0 +58 0 0 +59 0 0 +60 1 0 +61 1 0 +62 1 0 +63 1 0 +64 0 0 +65 0 0 +66 0 1 +67 0 0 +68 0 0 +69 0 1 +70 0 0 +71 1 0 +72 0 1 +73 0 0 +74 0 0 +75 1 0 +76 0 1 +77 0 1 +78 0 0 +79 0 1 +80 0 1 +81 0 0 +82 0 0 +83 1 0 +84 0 0 +85 1 0 +86 1 0 +87 0 1 +88 1 0 +89 0 0 +90 0 0 +91 0 1 +92 0 0 +93 0 1 +94 0 1 +95 0 0 +96 0 1 +97 1 1 +98 1 0 +99 0 0 +100 0 0 +101 1 0 +102 0 0 +103 0 0 +104 0 0 +105 0 0 +106 0 0 +107 0 1 +108 0 0 +109 0 0 +110 0 1 +111 1 1 +112 0 0 +113 0 0 +114 0 0 +115 0 1 +116 1 0 +117 0 0 +118 0 0 +119 0 1 +120 0 0 +121 0 0 +122 0 0 +123 0 0 +124 0 0 +125 0 0 +126 1 0 +127 1 0 +128 0 0 +129 1 0 +130 0 1 +131 0 0 +132 1 1 +133 0 0 +134 0 0 +135 0 1 +136 0 0 +137 0 0 +138 0 0 +139 0 1 +140 0 0 +141 0 0 +142 0 1 +143 0 1 +144 0 0 +145 1 0 +146 0 1 +147 0 0 +148 0 0 +149 1 0 +150 0 0 +151 0 1 +152 0 1 +153 0 0 +154 1 0 +155 0 0 +156 1 0 +157 1 0 +158 0 0 +159 0 1 +160 0 0 +161 0 1 +162 0 0 +163 0 0 +164 1 0 +165 0 0 +166 0 0 +167 0 0 +168 0 0 +169 0 0 +170 1 0 +171 0 1 +172 1 0 +173 1 0 +174 0 0 +175 0 0 +176 1 0 +177 1 0 +178 0 0 +179 0 0 +180 0 0 +181 0 0 +182 0 0 +183 1 0 +184 0 0 +185 0 0 +186 1 0 +187 1 0 +188 0 0 +189 0 1 +190 0 0 +191 0 0 +192 0 0 +193 1 0 +194 0 0 +195 1 0 +196 0 0 +197 0 0 +198 1 0 +199 0 1 +200 0 0 +201 1 0 +202 0 0 +203 0 0 +204 0 0 +205 0 0 +206 0 0 +207 0 1 +208 0 0 +209 1 0 +210 0 1 +211 1 0 +212 1 0 +213 0 0 +214 1 0 +215 0 0 +216 0 0 +217 0 1 +218 0 0 +219 0 0 +220 0 0 +221 0 0 +222 0 1 +223 0 0 +224 1 0 +225 0 0 +226 0 1 +227 0 0 +228 0 1 +229 1 0 +230 0 1 +231 0 0 +232 0 0 +233 1 0 +234 0 0 +235 0 0 +236 1 1 +237 0 0 +238 0 1 +239 0 1 +240 1 0 +241 0 0 +242 0 1 +243 0 1 +244 0 0 +245 1 0 +246 0 0 +247 0 1 +248 0 0 +249 0 1 +250 0 0 +251 1 1 +252 1 0 +253 0 1 +254 0 0 +255 0 0 +256 0 1 +257 1 0 +258 0 0 +259 0 1 +260 0 1 +261 0 0 +262 0 1 +263 1 0 +264 0 0 +265 1 1 +266 0 1 +267 1 0 +268 1 0 +269 1 0 +270 0 0 +271 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_RBP_1URPA_2DRIA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_RBP_1URPA_2DRIA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..c5e6888b70e10a29f7ff112f8d2cb958b8090989 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_RBP_1URPA_2DRIA/state_region_FINAL.tsv @@ -0,0 +1,275 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 16.083 0 1 +2 2 13.866 0 1 +3 3 12.853 0 1 +4 4 10.535 0 1 +5 5 9.936 0 1 +6 6 8.507 0 1 +7 7 8.606 0 1 +8 8 8.377 0 1 +9 9 8.810 0 1 +10 10 10.118 0 1 +11 11 10.586 0 1 +12 12 11.145 0 1 +13 13 8.932 0 1 +14 14 7.682 0 1 +15 15 5.494 0 1 +16 16 6.499 0 1 +17 17 8.136 0 1 +18 18 6.566 0 1 +19 19 5.528 0 1 +20 20 7.878 0 1 +21 21 8.634 0 1 +22 22 7.399 0 1 +23 23 7.889 0 1 +24 24 10.282 0 1 +25 25 10.661 0 1 +26 26 10.178 0 1 +27 27 11.314 0 1 +28 28 13.256 0 1 +29 29 13.217 0 1 +30 30 13.179 0 1 +31 31 14.823 0 1 +32 32 13.157 0 1 +33 33 13.581 0 1 +34 34 11.892 0 1 +35 35 12.354 0 1 +36 36 11.466 0 1 +37 37 11.688 0 1 +38 38 11.786 0 1 +39 39 11.461 0 1 +40 40 12.713 0 1 +41 41 11.719 0 1 +42 42 12.492 0 1 +43 43 11.301 0 1 +44 44 13.002 0 1 +45 45 13.167 0 1 +46 46 10.601 0 1 +47 47 10.455 0 1 +48 48 12.531 0 1 +49 49 11.699 0 1 +50 50 9.654 0 1 +51 51 11.130 0 1 +52 52 12.785 0 1 +53 53 11.311 0 1 +54 54 10.072 0 1 +55 55 11.479 0 1 +56 56 13.108 0 1 +57 57 11.737 0 1 +58 58 10.865 0 1 +59 59 10.060 0 1 +60 60 7.968 0 1 +61 61 6.928 0 1 +62 62 5.957 0 1 +63 63 5.646 0 1 +64 64 5.593 0 1 +65 65 6.496 0 1 +66 66 8.443 0 1 +67 67 8.160 0 1 +68 68 6.532 0 1 +69 69 8.237 0 1 +70 70 9.370 0 1 +71 71 7.336 0 1 +72 72 6.336 0 1 +73 73 7.673 0 1 +74 74 7.465 0 1 +75 75 5.094 0 1 +76 76 5.275 0 1 +77 77 7.221 0 1 +78 78 6.303 0 1 +79 79 4.078 0 1 +80 80 5.493 0 1 +81 81 7.337 0 1 +82 82 6.175 0 1 +83 83 6.716 0 1 +84 84 5.261 0 1 +85 85 3.990 0 1 +86 86 3.230 0 1 +87 87 2.387 1 0 +88 88 2.394 1 0 +89 89 2.138 1 0 +90 90 3.612 0 1 +91 91 3.309 0 1 +92 92 4.099 0 1 +93 93 5.674 0 1 +94 94 5.018 0 1 +95 95 3.126 0 1 +96 96 0.828 1 0 +97 97 0.865 1 0 +98 98 2.759 1 0 +99 99 2.653 1 0 +100 100 1.132 1 0 +101 101 1.409 1 0 +102 102 0.779 1 0 +103 103 1.301 1 0 +104 104 1.273 1 0 +105 105 1.401 1 0 +106 106 1.317 1 0 +107 107 1.199 1 0 +108 108 1.139 1 0 +109 109 1.016 1 0 +110 110 0.979 1 0 +111 111 1.014 1 0 +112 112 0.698 1 0 +113 113 0.526 1 0 +114 114 0.705 1 0 +115 115 0.529 1 0 +116 116 0.269 1 0 +117 117 0.608 1 0 +118 118 0.639 1 0 +119 119 0.368 1 0 +120 120 0.646 1 0 +121 121 0.864 1 0 +122 122 1.205 1 0 +123 123 1.302 1 0 +124 124 0.979 1 0 +125 125 0.985 1 0 +126 126 0.516 1 0 +127 127 0.486 1 0 +128 128 0.406 1 0 +129 129 0.685 1 0 +130 130 0.905 1 0 +131 131 1.344 1 0 +132 132 1.792 1 0 +133 133 1.788 1 0 +134 134 1.501 1 0 +135 135 1.937 1 0 +136 136 2.035 1 0 +137 137 1.856 1 0 +138 138 1.400 1 0 +139 139 1.113 1 0 +140 140 1.375 1 0 +141 141 1.255 1 0 +142 142 1.024 1 0 +143 143 1.049 1 0 +144 144 1.241 1 0 +145 145 0.825 1 0 +146 146 0.834 1 0 +147 147 1.283 1 0 +148 148 1.005 1 0 +149 149 0.860 1 0 +150 150 1.386 1 0 +151 151 1.437 1 0 +152 152 1.320 1 0 +153 153 1.374 1 0 +154 154 0.978 1 0 +155 155 0.934 1 0 +156 156 0.509 1 0 +157 157 0.688 1 0 +158 158 0.456 1 0 +159 159 0.355 1 0 +160 160 0.768 1 0 +161 161 1.191 1 0 +162 162 1.345 1 0 +163 163 1.569 1 0 +164 164 1.547 1 0 +165 165 1.763 1 0 +166 166 1.762 1 0 +167 167 1.850 1 0 +168 168 1.713 1 0 +169 169 1.281 1 0 +170 170 1.478 1 0 +171 171 1.690 1 0 +172 172 1.333 1 0 +173 173 1.130 1 0 +174 174 1.552 1 0 +175 175 1.537 1 0 +176 176 1.240 1 0 +177 177 1.380 1 0 +178 178 1.824 1 0 +179 179 1.062 1 0 +180 180 1.256 1 0 +181 181 1.624 1 0 +182 182 1.576 1 0 +183 183 1.104 1 0 +184 184 0.958 1 0 +185 185 0.405 1 0 +186 186 0.364 1 0 +187 187 0.310 1 0 +188 188 0.556 1 0 +189 189 0.836 1 0 +190 190 1.078 1 0 +191 191 1.056 1 0 +192 192 1.397 1 0 +193 193 1.100 1 0 +194 194 0.822 1 0 +195 195 1.103 1 0 +196 196 1.127 1 0 +197 197 0.916 1 0 +198 198 0.962 1 0 +199 199 1.361 1 0 +200 200 1.331 1 0 +201 201 1.377 1 0 +202 202 2.021 1 0 +203 203 2.266 1 0 +204 204 2.128 1 0 +205 205 2.169 1 0 +206 206 1.669 1 0 +207 207 1.139 1 0 +208 208 1.222 1 0 +209 209 1.028 1 0 +210 210 0.274 1 0 +211 211 0.271 1 0 +212 212 0.294 1 0 +213 213 0.655 1 0 +214 214 0.837 1 0 +215 215 1.193 1 0 +216 216 0.895 1 0 +217 217 1.100 1 0 +218 218 1.154 1 0 +219 219 1.001 1 0 +220 220 0.905 1 0 +221 221 0.687 1 0 +222 222 0.629 1 0 +223 223 0.429 1 0 +224 224 0.384 1 0 +225 225 0.251 1 0 +226 226 0.312 1 0 +227 227 0.393 1 0 +228 228 0.413 1 0 +229 229 0.427 1 0 +230 230 0.253 1 0 +231 231 0.551 1 0 +232 232 0.708 1 0 +233 233 1.059 1 0 +234 234 0.877 1 0 +235 235 0.425 1 0 +236 236 1.679 1 0 +237 237 2.997 1 0 +238 238 4.720 0 1 +239 239 4.424 0 1 +240 240 3.147 0 1 +241 241 5.168 0 1 +242 242 6.560 0 1 +243 243 5.746 0 1 +244 244 5.237 0 1 +245 245 7.330 0 1 +246 246 8.074 0 1 +247 247 6.758 0 1 +248 248 7.287 0 1 +249 249 9.493 0 1 +250 250 9.378 0 1 +251 251 7.905 0 1 +252 252 9.701 0 1 +253 253 11.313 0 1 +254 254 10.116 0 1 +255 255 9.949 0 1 +256 256 8.521 0 1 +257 257 6.909 0 1 +258 258 6.287 0 1 +259 259 4.524 0 1 +260 260 3.525 0 1 +261 261 3.804 0 1 +262 262 3.624 0 1 +263 263 2.437 1 0 +264 264 2.095 1 0 +265 265 0.615 1 0 +266 266 0.785 1 0 +267 267 0.746 1 0 +268 268 0.815 1 0 +269 269 0.482 1 0 +270 270 0.339 1 0 +271 271 1.193 1 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_SRC_2SRCA_1Y57A/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_AL_SRC_2SRCA_1Y57A/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..953ec811247a621295419081a77560d2b921bafb --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_SRC_2SRCA_1Y57A/state_region_BLIND_proxy.tsv @@ -0,0 +1,453 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 1 0 +4 1 0 +5 0 0 +6 1 0 +7 0 0 +8 0 0 +9 0 0 +10 1 0 +11 0 0 +12 1 0 +13 0 0 +14 0 0 +15 0 0 +16 0 0 +17 1 0 +18 0 0 +19 1 0 +20 1 0 +21 0 0 +22 0 0 +23 0 0 +24 0 0 +25 1 0 +26 0 0 +27 1 0 +28 1 0 +29 0 0 +30 0 0 +31 0 0 +32 0 0 +33 0 0 +34 0 0 +35 0 0 +36 0 0 +37 1 1 +38 0 0 +39 0 0 +40 0 0 +41 0 0 +42 0 1 +43 0 0 +44 0 0 +45 0 0 +46 0 0 +47 0 0 +48 0 0 +49 1 0 +50 0 0 +51 0 0 +52 0 0 +53 0 0 +54 1 0 +55 0 0 +56 0 1 +57 0 1 +58 0 1 +59 0 0 +60 1 0 +61 0 0 +62 0 1 +63 0 0 +64 0 0 +65 0 0 +66 0 0 +67 0 0 +68 0 0 +69 0 1 +70 1 0 +71 0 0 +72 0 0 +73 0 1 +74 0 0 +75 0 0 +76 0 0 +77 0 1 +78 1 0 +79 1 0 +80 0 0 +81 0 1 +82 0 1 +83 0 1 +84 0 0 +85 0 1 +86 0 1 +87 0 0 +88 0 1 +89 1 0 +90 1 0 +91 1 0 +92 0 0 +93 0 0 +94 0 0 +95 0 0 +96 0 1 +97 0 1 +98 1 1 +99 0 0 +100 0 1 +101 0 0 +102 1 0 +103 1 0 +104 0 0 +105 1 0 +106 0 0 +107 0 0 +108 0 0 +109 0 0 +110 0 0 +111 0 0 +112 0 1 +113 0 0 +114 1 1 +115 0 1 +116 1 0 +117 0 0 +118 0 0 +119 0 0 +120 0 0 +121 1 0 +122 0 1 +123 0 1 +124 0 1 +125 1 0 +126 0 1 +127 0 0 +128 0 0 +129 1 0 +130 0 0 +131 1 0 +132 0 1 +133 0 1 +134 0 1 +135 0 1 +136 0 1 +137 1 0 +138 0 1 +139 0 0 +140 1 0 +141 0 1 +142 0 0 +143 1 0 +144 1 0 +145 0 1 +146 0 0 +147 0 0 +148 0 1 +149 0 1 +150 0 1 +151 0 0 +152 0 0 +153 0 0 +154 1 0 +155 1 0 +156 0 1 +157 0 0 +158 1 0 +159 0 1 +160 0 1 +161 1 0 +162 1 0 +163 0 1 +164 0 1 +165 0 1 +166 0 1 +167 0 0 +168 0 1 +169 0 1 +170 0 1 +171 0 1 +172 0 1 +173 0 1 +174 0 1 +175 0 0 +176 0 1 +177 0 0 +178 0 0 +179 1 0 +180 0 0 +181 0 0 +182 0 0 +183 0 0 +184 1 0 +185 0 1 +186 1 0 +187 0 1 +188 1 0 +189 0 0 +190 1 0 +191 0 0 +192 0 1 +193 0 0 +194 1 0 +195 0 0 +196 0 0 +197 0 0 +198 1 0 +199 0 0 +200 0 1 +201 0 0 +202 0 1 +203 0 0 +204 0 0 +205 0 1 +206 0 1 +207 0 1 +208 0 1 +209 1 0 +210 0 0 +211 1 0 +212 0 0 +213 0 0 +214 1 0 +215 0 0 +216 0 1 +217 0 0 +218 0 1 +219 0 0 +220 0 1 +221 0 1 +222 0 0 +223 0 0 +224 1 0 +225 1 0 +226 0 1 +227 0 0 +228 0 0 +229 0 1 +230 1 0 +231 0 0 +232 0 0 +233 0 1 +234 1 0 +235 0 0 +236 0 0 +237 0 0 +238 0 0 +239 1 0 +240 1 0 +241 0 0 +242 1 0 +243 0 0 +244 0 0 +245 1 0 +246 1 0 +247 0 0 +248 0 0 +249 0 0 +250 0 0 +251 1 0 +252 0 0 +253 1 0 +254 1 0 +255 0 0 +256 0 0 +257 0 0 +258 0 0 +259 0 1 +260 0 0 +261 0 0 +262 0 0 +263 1 0 +264 1 0 +265 0 0 +266 1 0 +267 1 0 +268 0 0 +269 0 1 +270 1 1 +271 0 1 +272 0 0 +273 0 1 +274 0 1 +275 1 0 +276 0 1 +277 1 1 +278 0 1 +279 0 1 +280 1 0 +281 1 0 +282 0 0 +283 1 0 +284 1 0 +285 0 1 +286 0 0 +287 1 0 +288 0 0 +289 0 1 +290 0 0 +291 1 0 +292 0 0 +293 0 0 +294 1 0 +295 0 0 +296 0 0 +297 0 0 +298 0 0 +299 0 0 +300 1 0 +301 0 0 +302 0 0 +303 0 0 +304 1 0 +305 0 0 +306 0 0 +307 0 0 +308 0 0 +309 1 0 +310 1 0 +311 1 0 +312 0 0 +313 0 0 +314 0 1 +315 1 0 +316 0 1 +317 1 0 +318 0 0 +319 1 0 +320 0 0 +321 0 0 +322 0 0 +323 0 0 +324 1 0 +325 0 0 +326 0 0 +327 0 1 +328 1 0 +329 0 1 +330 0 0 +331 0 0 +332 0 1 +333 0 0 +334 0 1 +335 0 0 +336 0 1 +337 0 1 +338 0 0 +339 0 0 +340 0 0 +341 1 0 +342 0 0 +343 1 0 +344 0 0 +345 0 0 +346 0 0 +347 0 0 +348 0 0 +349 0 0 +350 0 0 +351 0 0 +352 0 1 +353 0 0 +354 0 0 +355 0 0 +356 1 0 +357 0 0 +358 1 0 +359 0 0 +360 0 0 +361 0 0 +362 1 0 +363 0 0 +364 0 0 +365 1 0 +366 0 0 +367 1 0 +368 1 0 +369 1 0 +370 0 0 +371 0 0 +372 1 0 +373 0 0 +374 0 0 +375 0 0 +376 0 0 +377 0 0 +378 1 1 +379 0 0 +380 0 0 +381 0 0 +382 0 0 +383 0 0 +384 0 1 +385 0 0 +386 0 1 +387 0 0 +388 1 0 +389 1 1 +390 0 1 +391 0 1 +392 1 0 +393 0 0 +394 0 1 +395 0 0 +396 0 0 +397 0 0 +398 0 0 +399 0 0 +400 1 1 +401 0 0 +402 0 1 +403 0 1 +404 1 0 +405 0 0 +406 0 1 +407 0 1 +408 1 0 +409 0 0 +410 0 1 +411 1 0 +412 0 0 +413 1 1 +414 0 1 +415 1 0 +416 0 0 +417 0 1 +418 0 1 +419 0 1 +420 0 0 +421 1 0 +422 1 1 +423 0 0 +424 0 0 +425 0 0 +426 1 0 +427 0 1 +428 0 1 +429 1 0 +430 0 1 +431 0 1 +432 1 1 +433 1 0 +434 0 0 +435 0 0 +436 0 0 +437 1 0 +438 0 0 +439 0 0 +440 0 0 +441 0 0 +442 0 0 +443 0 0 +444 0 0 +445 0 0 +446 0 0 +447 0 0 +448 0 0 +449 0 0 diff --git a/bench/main_benchmark/annotations/SFB_AL_SRC_2SRCA_1Y57A/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_AL_SRC_2SRCA_1Y57A/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..ad6ecb57e82100f50bd5ad82d821b4cb33771a7b --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_AL_SRC_2SRCA_1Y57A/state_region_FINAL.tsv @@ -0,0 +1,453 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 84 12.255 0 1 +2 85 9.624 0 1 +3 86 5.961 0 1 +4 87 4.731 0 1 +5 88 5.407 0 1 +6 89 5.716 0 1 +7 90 9.024 0 1 +8 91 11.588 0 1 +9 92 10.753 0 1 +10 93 13.341 0 1 +11 94 12.643 0 1 +12 95 12.312 0 1 +13 96 11.729 0 1 +14 97 13.602 0 1 +15 98 11.481 0 1 +16 99 9.941 0 1 +17 100 11.133 0 1 +18 101 12.470 0 1 +19 102 11.641 0 1 +20 103 12.291 0 1 +21 104 9.895 0 1 +22 105 8.686 0 1 +23 106 10.160 0 1 +24 107 9.483 0 1 +25 108 9.534 0 1 +26 109 11.222 0 1 +27 110 9.524 0 1 +28 111 10.583 0 1 +29 112 9.685 0 1 +30 113 8.305 0 1 +31 114 9.688 0 1 +32 115 6.835 0 1 +33 116 6.905 0 1 +34 117 3.489 0 1 +35 118 1.933 1 0 +36 119 5.305 0 1 +37 120 8.622 0 1 +38 121 9.665 0 1 +39 122 12.921 0 1 +40 123 13.247 0 1 +41 124 15.286 0 1 +42 125 16.958 0 1 +43 126 18.284 0 1 +44 127 18.455 0 1 +45 128 16.573 0 1 +46 129 14.040 0 1 +47 130 11.079 0 1 +48 131 7.167 0 1 +49 132 4.876 0 1 +50 133 2.366 1 0 +51 134 1.111 1 0 +52 135 4.068 0 1 +53 136 3.966 0 1 +54 137 1.244 1 0 +55 138 1.459 1 0 +56 139 4.817 0 1 +57 140 5.319 0 1 +58 141 5.732 0 1 +59 142 5.268 0 1 +60 143 5.214 0 1 +61 144 4.376 0 1 +62 145 0.782 1 0 +63 146 1.451 1 0 +64 147 5.517 0 1 +65 148 6.545 0 1 +66 149 6.828 0 1 +67 150 10.476 0 1 +68 151 11.680 0 1 +69 152 15.705 0 1 +70 153 17.422 0 1 +71 154 20.712 0 1 +72 155 21.119 0 1 +73 156 23.674 0 1 +74 157 21.639 0 1 +75 158 18.483 0 1 +76 159 20.911 0 1 +77 160 22.946 0 1 +78 161 19.748 0 1 +79 162 18.394 0 1 +80 163 21.919 0 1 +81 164 22.414 0 1 +82 165 25.057 0 1 +83 166 23.022 0 1 +84 167 19.342 0 1 +85 168 18.497 0 1 +86 169 17.225 0 1 +87 170 13.460 0 1 +88 171 13.602 0 1 +89 172 11.347 0 1 +90 173 10.379 0 1 +91 174 9.753 0 1 +92 175 12.531 0 1 +93 176 15.017 0 1 +94 177 18.101 0 1 +95 178 21.395 0 1 +96 179 23.692 0 1 +97 180 22.335 0 1 +98 181 21.893 0 1 +99 182 18.491 0 1 +100 183 17.029 0 1 +101 184 13.951 0 1 +102 185 13.719 0 1 +103 186 11.412 0 1 +104 187 13.970 0 1 +105 188 13.880 0 1 +106 189 16.954 0 1 +107 190 18.524 0 1 +108 191 21.807 0 1 +109 192 23.599 0 1 +110 193 25.007 0 1 +111 194 26.270 0 1 +112 195 26.559 0 1 +113 196 26.172 0 1 +114 197 24.211 0 1 +115 198 22.579 0 1 +116 199 19.549 0 1 +117 200 17.554 0 1 +118 201 16.649 0 1 +119 202 14.553 0 1 +120 203 15.757 0 1 +121 204 13.411 0 1 +122 205 16.067 0 1 +123 206 16.329 0 1 +124 207 19.476 0 1 +125 208 23.076 0 1 +126 209 21.543 0 1 +127 210 17.743 0 1 +128 211 14.752 0 1 +129 212 12.035 0 1 +130 213 11.853 0 1 +131 214 12.135 0 1 +132 215 12.900 0 1 +133 216 14.775 0 1 +134 217 12.339 0 1 +135 218 9.442 0 1 +136 219 11.167 0 1 +137 220 9.671 0 1 +138 221 11.860 0 1 +139 222 9.026 0 1 +140 223 6.525 0 1 +141 224 3.641 0 1 +142 225 4.945 0 1 +143 226 4.355 0 1 +144 227 2.143 1 0 +145 228 1.732 1 0 +146 229 0.788 1 0 +147 230 3.395 0 1 +148 231 5.111 0 1 +149 232 5.065 0 1 +150 233 4.198 0 1 +151 234 6.681 0 1 +152 235 5.158 0 1 +153 236 9.128 0 1 +154 237 10.438 0 1 +155 238 13.441 0 1 +156 239 11.783 0 1 +157 240 8.803 0 1 +158 241 8.279 0 1 +159 242 10.803 0 1 +160 243 11.927 0 1 +161 244 10.238 0 1 +162 245 13.090 0 1 +163 246 14.677 0 1 +164 247 15.075 0 1 +165 248 16.562 0 1 +166 249 13.071 0 1 +167 250 11.341 0 1 +168 251 10.440 0 1 +169 252 6.960 0 1 +170 253 6.855 0 1 +171 254 6.852 0 1 +172 255 6.921 0 1 +173 256 4.010 0 1 +174 257 6.129 0 1 +175 258 8.636 0 1 +176 259 7.334 0 1 +177 260 7.294 0 1 +178 261 3.109 0 1 +179 262 3.550 0 1 +180 263 8.157 0 1 +181 264 13.013 0 1 +182 265 17.128 0 1 +183 266 15.516 0 1 +184 267 18.731 0 1 +185 268 25.135 0 1 +186 269 26.642 0 1 +187 270 32.182 0 1 +188 271 33.017 0 1 +189 272 30.094 0 1 +190 273 27.551 0 1 +191 274 25.397 0 1 +192 275 23.864 0 1 +193 276 20.612 0 1 +194 277 21.011 0 1 +195 278 18.027 0 1 +196 279 19.086 0 1 +197 280 20.461 0 1 +198 281 19.262 0 1 +199 282 23.393 0 1 +200 283 26.031 0 1 +201 284 25.635 0 1 +202 285 25.078 0 1 +203 286 19.966 0 1 +204 287 20.101 0 1 +205 288 26.572 0 1 +206 289 28.790 0 1 +207 290 26.408 0 1 +208 291 27.428 0 1 +209 292 21.695 0 1 +210 293 18.962 0 1 +211 294 15.339 0 1 +212 295 12.443 0 1 +213 296 15.000 0 1 +214 297 15.749 0 1 +215 298 21.831 0 1 +216 299 24.520 0 1 +217 300 26.581 0 1 +218 301 21.583 0 1 +219 302 18.444 0 1 +220 303 20.419 0 1 +221 304 16.196 0 1 +222 305 18.733 0 1 +223 306 16.913 0 1 +224 307 10.252 0 1 +225 308 10.668 0 1 +226 309 15.577 0 1 +227 310 11.987 0 1 +228 311 9.670 0 1 +229 312 15.047 0 1 +230 313 18.158 0 1 +231 314 15.796 0 1 +232 315 16.421 0 1 +233 316 22.352 0 1 +234 317 22.958 0 1 +235 318 25.941 0 1 +236 319 29.714 0 1 +237 320 32.136 0 1 +238 321 28.933 0 1 +239 322 22.688 0 1 +240 323 19.328 0 1 +241 324 18.802 0 1 +242 325 12.927 0 1 +243 326 13.436 0 1 +244 327 7.164 0 1 +245 328 1.551 1 0 +246 329 6.396 0 1 +247 330 10.018 0 1 +248 331 15.480 0 1 +249 332 19.160 0 1 +250 333 18.769 0 1 +251 334 12.652 0 1 +252 335 9.324 0 1 +253 336 5.350 0 1 +254 337 10.075 0 1 +255 338 13.990 0 1 +256 339 20.604 0 1 +257 340 23.917 0 1 +258 341 26.896 0 1 +259 342 32.394 0 1 +260 343 33.627 0 1 +261 344 27.503 0 1 +262 345 23.277 0 1 +263 346 25.065 0 1 +264 347 22.994 0 1 +265 348 28.155 0 1 +266 349 32.340 0 1 +267 350 31.531 0 1 +268 351 32.775 0 1 +269 352 38.385 0 1 +270 353 44.542 0 1 +271 354 42.481 0 1 +272 355 39.987 0 1 +273 356 44.966 0 1 +274 357 49.013 0 1 +275 358 44.188 0 1 +276 359 45.440 0 1 +277 360 42.910 0 1 +278 361 46.595 0 1 +279 362 43.456 0 1 +280 363 37.149 0 1 +281 364 38.520 0 1 +282 365 40.731 0 1 +283 366 34.630 0 1 +284 367 31.659 0 1 +285 368 36.336 0 1 +286 369 34.088 0 1 +287 370 27.695 0 1 +288 371 30.649 0 1 +289 372 34.028 0 1 +290 373 28.278 0 1 +291 374 26.267 0 1 +292 375 32.812 0 1 +293 376 31.916 0 1 +294 377 26.555 0 1 +295 378 31.130 0 1 +296 379 36.232 0 1 +297 380 32.421 0 1 +298 381 32.018 0 1 +299 382 25.150 0 1 +300 383 20.870 0 1 +301 384 14.534 0 1 +302 385 12.007 0 1 +303 386 6.028 0 1 +304 387 10.763 0 1 +305 388 11.378 0 1 +306 389 16.975 0 1 +307 390 14.837 0 1 +308 391 12.405 0 1 +309 392 18.757 0 1 +310 393 22.746 0 1 +311 394 29.557 0 1 +312 395 34.532 0 1 +313 396 41.663 0 1 +314 397 45.228 0 1 +315 398 39.771 0 1 +316 399 36.082 0 1 +317 400 29.726 0 1 +318 401 24.605 0 1 +319 402 19.031 0 1 +320 403 13.413 0 1 +321 404 6.821 0 1 +322 405 8.668 0 1 +323 406 6.957 0 1 +324 407 9.024 0 1 +325 408 12.307 0 1 +326 409 19.223 0 1 +327 410 23.155 0 1 +328 411 25.123 0 1 +329 412 31.916 0 1 +330 413 34.621 0 1 +331 414 37.545 0 1 +332 415 33.806 0 1 +333 416 28.779 0 1 +334 417 28.928 0 1 +335 418 26.387 0 1 +336 419 21.181 0 1 +337 420 22.070 0 1 +338 421 20.059 0 1 +339 422 17.997 0 1 +340 423 15.208 0 1 +341 424 10.283 0 1 +342 425 4.759 0 1 +343 426 5.828 0 1 +344 427 1.297 1 0 +345 428 5.754 0 1 +346 429 9.433 0 1 +347 430 15.518 0 1 +348 431 17.954 0 1 +349 432 23.805 0 1 +350 433 20.297 0 1 +351 434 17.803 0 1 +352 435 23.635 0 1 +353 436 28.296 0 1 +354 437 24.964 0 1 +355 438 26.831 0 1 +356 439 22.215 0 1 +357 440 25.643 0 1 +358 441 26.060 0 1 +359 442 26.908 0 1 +360 443 20.553 0 1 +361 444 18.800 0 1 +362 445 23.270 0 1 +363 446 18.963 0 1 +364 447 14.083 0 1 +365 448 19.549 0 1 +366 449 20.615 0 1 +367 450 14.825 0 1 +368 451 17.629 0 1 +369 452 23.526 0 1 +370 453 21.014 0 1 +371 454 20.848 0 1 +372 455 27.009 0 1 +373 456 29.586 0 1 +374 457 27.404 0 1 +375 458 29.694 0 1 +376 459 24.322 0 1 +377 460 21.854 0 1 +378 461 15.584 0 1 +379 462 10.881 0 1 +380 463 8.053 0 1 +381 464 13.788 0 1 +382 465 13.511 0 1 +383 466 8.774 0 1 +384 467 12.623 0 1 +385 468 10.801 0 1 +386 469 15.238 0 1 +387 470 11.487 0 1 +388 471 6.347 0 1 +389 472 11.791 0 1 +390 473 14.566 0 1 +391 474 9.358 0 1 +392 475 11.706 0 1 +393 476 17.867 0 1 +394 477 17.520 0 1 +395 478 17.398 0 1 +396 479 11.542 0 1 +397 480 13.722 0 1 +398 481 13.881 0 1 +399 482 19.292 0 1 +400 483 25.561 0 1 +401 484 26.424 0 1 +402 485 31.549 0 1 +403 486 37.317 0 1 +404 487 34.739 0 1 +405 488 38.677 0 1 +406 489 36.235 0 1 +407 490 39.382 0 1 +408 491 35.064 0 1 +409 492 29.763 0 1 +410 493 32.837 0 1 +411 494 32.673 0 1 +412 495 25.912 0 1 +413 496 25.912 0 1 +414 497 30.470 0 1 +415 498 25.906 0 1 +416 499 21.793 0 1 +417 500 27.021 0 1 +418 501 26.612 0 1 +419 502 32.205 0 1 +420 503 30.799 0 1 +421 504 37.175 0 1 +422 505 37.294 0 1 +423 506 32.606 0 1 +424 507 35.755 0 1 +425 508 36.106 0 1 +426 509 33.488 0 1 +427 510 39.954 0 1 +428 511 41.747 0 1 +429 512 36.710 0 1 +430 513 38.944 0 1 +431 514 45.550 0 1 +432 515 44.222 0 1 +433 516 41.355 0 1 +434 517 46.089 0 1 +435 518 51.165 0 1 +436 519 48.168 0 1 +437 520 53.146 0 1 +438 521 58.469 0 1 +439 522 56.761 0 1 +440 523 56.548 0 1 +441 524 59.373 0 1 +442 525 66.422 0 1 +443 526 70.593 0 1 +444 528 75.176 0 1 +445 529 77.505 0 1 +446 530 79.951 0 1 +447 531 82.247 0 1 +448 532 77.138 0 1 +449 533 78.669 0 1 diff --git a/bench/main_benchmark/annotations/SFB_FS_A1AT_1QLPA_1OPHA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_A1AT_1QLPA_1OPHA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..2f68484c5d4d116dd9ffec694be85fe20e150b98 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_A1AT_1QLPA_1OPHA/state_region_BLIND_proxy.tsv @@ -0,0 +1,376 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 1 0 +5 0 0 +6 0 1 +7 0 0 +8 1 0 +9 0 0 +10 0 0 +11 1 0 +12 0 0 +13 1 0 +14 0 0 +15 1 0 +16 0 0 +17 0 0 +18 0 1 +19 1 0 +20 0 0 +21 0 1 +22 0 1 +23 0 1 +24 0 1 +25 0 1 +26 0 0 +27 0 0 +28 1 0 +29 0 0 +30 0 0 +31 0 0 +32 0 0 +33 1 0 +34 0 0 +35 1 0 +36 0 0 +37 0 0 +38 0 0 +39 1 0 +40 0 0 +41 0 0 +42 1 0 +43 0 0 +44 1 0 +45 0 0 +46 0 0 +47 0 0 +48 0 0 +49 0 1 +50 0 0 +51 0 0 +52 0 1 +53 0 0 +54 1 0 +55 1 1 +56 0 0 +57 0 0 +58 1 0 +59 0 0 +60 0 0 +61 0 0 +62 1 0 +63 0 1 +64 0 1 +65 1 1 +66 0 1 +67 0 1 +68 0 1 +69 0 0 +70 1 0 +71 0 0 +72 0 1 +73 0 0 +74 1 0 +75 0 1 +76 0 1 +77 1 0 +78 1 0 +79 0 1 +80 0 1 +81 1 0 +82 0 1 +83 0 1 +84 0 1 +85 0 1 +86 0 1 +87 0 1 +88 0 0 +89 0 0 +90 1 0 +91 0 1 +92 0 0 +93 0 0 +94 0 0 +95 0 0 +96 1 0 +97 1 0 +98 1 0 +99 0 0 +100 0 0 +101 0 0 +102 1 0 +103 0 1 +104 1 0 +105 0 0 +106 0 0 +107 0 1 +108 0 0 +109 1 0 +110 0 0 +111 0 1 +112 1 0 +113 0 0 +114 0 1 +115 0 1 +116 0 0 +117 0 1 +118 0 0 +119 0 0 +120 0 0 +121 1 1 +122 0 1 +123 1 0 +124 0 0 +125 1 0 +126 0 1 +127 0 0 +128 0 0 +129 1 0 +130 0 1 +131 0 0 +132 0 0 +133 1 0 +134 0 1 +135 1 0 +136 0 0 +137 0 1 +138 0 0 +139 1 0 +140 0 0 +141 0 0 +142 0 0 +143 0 0 +144 0 0 +145 0 0 +146 0 0 +147 1 0 +148 0 0 +149 0 0 +150 1 0 +151 1 0 +152 0 0 +153 0 0 +154 1 0 +155 0 0 +156 0 0 +157 0 0 +158 0 0 +159 1 0 +160 1 0 +161 0 0 +162 1 0 +163 1 0 +164 0 0 +165 0 0 +166 1 0 +167 0 0 +168 0 0 +169 0 0 +170 0 0 +171 0 1 +172 0 0 +173 0 0 +174 0 1 +175 0 0 +176 0 0 +177 0 0 +178 0 0 +179 1 1 +180 0 1 +181 0 0 +182 0 1 +183 0 0 +184 0 1 +185 0 0 +186 0 0 +187 0 0 +188 1 0 +189 0 1 +190 0 1 +191 0 0 +192 0 0 +193 0 0 +194 1 0 +195 0 0 +196 1 0 +197 0 0 +198 0 0 +199 0 0 +200 0 1 +201 0 0 +202 0 1 +203 0 0 +204 0 1 +205 1 0 +206 0 1 +207 1 0 +208 0 1 +209 0 1 +210 1 0 +211 0 0 +212 0 1 +213 0 0 +214 0 1 +215 0 0 +216 0 0 +217 1 0 +218 1 0 +219 1 0 +220 0 0 +221 0 0 +222 0 0 +223 0 0 +224 0 0 +225 0 0 +226 0 0 +227 0 0 +228 0 0 +229 1 0 +230 1 0 +231 1 0 +232 1 0 +233 0 0 +234 0 0 +235 0 0 +236 0 0 +237 0 0 +238 1 0 +239 0 1 +240 0 1 +241 1 0 +242 0 0 +243 0 1 +244 0 1 +245 1 0 +246 0 0 +247 0 1 +248 0 0 +249 1 1 +250 1 0 +251 0 1 +252 0 1 +253 0 0 +254 1 1 +255 0 1 +256 0 1 +257 0 0 +258 0 1 +259 0 1 +260 0 0 +261 0 1 +262 0 0 +263 0 1 +264 1 0 +265 0 1 +266 1 0 +267 0 0 +268 0 0 +269 1 0 +270 0 0 +271 1 0 +272 0 0 +273 0 1 +274 0 0 +275 0 0 +276 0 0 +277 1 0 +278 0 0 +279 0 1 +280 1 1 +281 1 0 +282 0 1 +283 0 1 +284 1 0 +285 0 0 +286 1 0 +287 0 1 +288 0 0 +289 1 0 +290 0 0 +291 0 0 +292 0 1 +293 0 1 +294 0 0 +295 0 0 +296 1 0 +297 0 0 +298 0 0 +299 1 0 +300 0 0 +301 0 0 +302 0 1 +303 0 1 +304 0 1 +305 1 0 +306 0 0 +307 1 0 +308 0 0 +309 0 0 +310 0 0 +311 1 0 +312 0 0 +313 0 0 +314 0 0 +315 0 0 +316 1 0 +317 0 0 +318 1 0 +319 0 0 +320 0 0 +321 0 0 +322 0 0 +323 0 0 +324 0 0 +325 0 0 +326 0 0 +327 0 0 +328 0 0 +329 0 0 +330 0 0 +331 1 0 +332 0 1 +333 0 0 +334 0 1 +335 0 1 +336 0 1 +337 0 0 +338 0 1 +339 0 0 +340 0 0 +341 0 1 +342 1 0 +343 0 1 +344 0 0 +345 0 0 +346 0 0 +347 0 0 +348 1 0 +349 1 0 +350 1 0 +351 1 0 +352 0 0 +353 1 1 +354 0 0 +355 0 1 +356 0 1 +357 0 0 +358 0 0 +359 0 0 +360 0 0 +361 1 0 +362 0 0 +363 0 0 +364 0 0 +365 0 0 +366 1 0 +367 1 0 +368 0 0 +369 0 0 +370 0 0 +371 0 0 +372 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_A1AT_1QLPA_1OPHA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_A1AT_1QLPA_1OPHA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..e43fb9fa9e5b9df9a533b302cbb7a107b0840925 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_A1AT_1QLPA_1OPHA/state_region_FINAL.tsv @@ -0,0 +1,376 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 23 3.195 0 1 +2 24 2.956 1 0 +3 25 2.139 1 0 +4 26 1.209 1 0 +5 27 0.662 1 0 +6 28 0.498 1 0 +7 29 0.455 1 0 +8 30 0.366 1 0 +9 31 0.076 1 0 +10 32 0.086 1 0 +11 33 0.071 1 0 +12 34 0.036 1 0 +13 35 0.066 1 0 +14 36 0.281 1 0 +15 37 0.281 1 0 +16 38 0.170 1 0 +17 39 0.034 1 0 +18 40 0.288 1 0 +19 41 0.626 1 0 +20 42 0.582 1 0 +21 43 1.063 1 0 +22 44 1.595 1 0 +23 45 1.622 1 0 +24 46 1.712 1 0 +25 47 1.611 1 0 +26 48 1.154 1 0 +27 49 0.367 1 0 +28 50 0.213 1 0 +29 51 0.277 1 0 +30 52 0.248 1 0 +31 53 0.179 1 0 +32 54 0.285 1 0 +33 55 0.272 1 0 +34 56 0.098 1 0 +35 57 0.171 1 0 +36 58 0.131 1 0 +37 59 0.174 1 0 +38 60 0.241 1 0 +39 61 0.256 1 0 +40 62 0.206 1 0 +41 63 0.435 1 0 +42 64 0.412 1 0 +43 65 0.129 1 0 +44 66 0.253 1 0 +45 67 0.299 1 0 +46 68 0.530 1 0 +47 69 0.267 1 0 +48 70 0.634 1 0 +49 71 0.338 1 0 +50 72 0.246 1 0 +51 73 0.168 1 0 +52 74 0.430 1 0 +53 75 0.468 1 0 +54 76 0.150 1 0 +55 77 0.273 1 0 +56 78 0.488 1 0 +57 79 0.443 1 0 +58 80 0.158 1 0 +59 81 0.321 1 0 +60 82 0.707 1 0 +61 83 1.154 1 0 +62 84 1.215 1 0 +63 85 1.782 1 0 +64 86 1.677 1 0 +65 87 1.667 1 0 +66 88 1.604 1 0 +67 89 1.150 1 0 +68 90 1.436 1 0 +69 91 1.499 1 0 +70 92 1.268 1 0 +71 93 1.195 1 0 +72 94 1.444 1 0 +73 95 1.643 1 0 +74 96 1.291 1 0 +75 97 1.750 1 0 +76 98 1.941 1 0 +77 99 1.502 1 0 +78 100 1.845 1 0 +79 101 2.518 1 0 +80 102 2.191 1 0 +81 103 1.824 1 0 +82 104 2.415 1 0 +83 105 2.537 1 0 +84 106 4.353 0 1 +85 107 3.507 0 1 +86 108 2.473 1 0 +87 109 3.399 0 1 +88 110 0.978 1 0 +89 111 0.423 1 0 +90 112 0.534 1 0 +91 113 1.709 1 0 +92 114 1.124 1 0 +93 115 0.881 1 0 +94 116 0.405 1 0 +95 117 0.712 1 0 +96 118 0.050 1 0 +97 119 0.371 1 0 +98 120 0.601 1 0 +99 121 0.568 1 0 +100 122 0.530 1 0 +101 123 0.478 1 0 +102 124 0.215 1 0 +103 125 0.302 1 0 +104 126 0.216 1 0 +105 127 0.508 1 0 +106 128 0.442 1 0 +107 129 0.610 1 0 +108 130 0.359 1 0 +109 131 0.389 1 0 +110 132 0.374 1 0 +111 133 0.510 1 0 +112 134 0.581 1 0 +113 135 0.920 1 0 +114 136 1.177 1 0 +115 137 1.079 1 0 +116 138 0.638 1 0 +117 139 0.280 1 0 +118 140 0.585 1 0 +119 141 1.483 1 0 +120 142 0.691 1 0 +121 143 0.552 1 0 +122 144 0.843 1 0 +123 145 0.999 1 0 +124 146 1.005 1 0 +125 147 1.011 1 0 +126 148 0.953 1 0 +127 149 1.066 1 0 +128 150 0.912 1 0 +129 151 0.368 1 0 +130 152 0.409 1 0 +131 153 0.466 1 0 +132 154 0.353 1 0 +133 155 0.336 1 0 +134 156 0.652 1 0 +135 157 0.372 1 0 +136 158 0.331 1 0 +137 159 0.810 1 0 +138 160 0.774 1 0 +139 161 0.789 1 0 +140 162 1.281 1 0 +141 163 1.285 1 0 +142 164 1.329 1 0 +143 165 1.400 1 0 +144 166 1.536 1 0 +145 167 1.324 1 0 +146 168 1.438 1 0 +147 169 0.870 1 0 +148 170 0.594 1 0 +149 171 0.654 1 0 +150 172 0.690 1 0 +151 173 0.268 1 0 +152 174 0.328 1 0 +153 175 0.485 1 0 +154 176 0.407 1 0 +155 177 0.710 1 0 +156 178 0.678 1 0 +157 179 0.207 1 0 +158 180 0.401 1 0 +159 181 0.435 1 0 +160 182 0.494 1 0 +161 183 0.586 1 0 +162 184 0.381 1 0 +163 185 0.294 1 0 +164 186 0.292 1 0 +165 187 0.592 1 0 +166 188 0.599 1 0 +167 189 0.743 1 0 +168 190 0.657 1 0 +169 191 0.751 1 0 +170 192 0.718 1 0 +171 193 0.573 1 0 +172 194 0.669 1 0 +173 195 0.762 1 0 +174 196 0.681 1 0 +175 197 0.581 1 0 +176 198 0.577 1 0 +177 199 0.572 1 0 +178 200 0.459 1 0 +179 201 0.485 1 0 +180 202 0.414 1 0 +181 203 0.454 1 0 +182 204 0.463 1 0 +183 205 0.589 1 0 +184 206 0.394 1 0 +185 207 0.388 1 0 +186 208 0.704 1 0 +187 209 0.806 1 0 +188 210 1.306 1 0 +189 211 1.612 1 0 +190 212 1.129 1 0 +191 213 2.070 1 0 +192 214 1.870 1 0 +193 215 1.371 1 0 +194 216 1.350 1 0 +195 217 0.870 1 0 +196 218 0.795 1 0 +197 219 0.723 1 0 +198 220 0.578 1 0 +199 221 0.562 1 0 +200 222 0.476 1 0 +201 223 0.454 1 0 +202 224 0.423 1 0 +203 225 0.571 1 0 +204 226 0.557 1 0 +205 227 0.492 1 0 +206 228 0.505 1 0 +207 229 0.465 1 0 +208 230 0.575 1 0 +209 231 0.556 1 0 +210 232 0.634 1 0 +211 233 1.002 1 0 +212 234 0.388 1 0 +213 235 0.505 1 0 +214 236 0.575 1 0 +215 237 0.406 1 0 +216 238 0.337 1 0 +217 239 0.283 1 0 +218 240 0.209 1 0 +219 241 0.221 1 0 +220 242 0.270 1 0 +221 243 0.735 1 0 +222 244 0.778 1 0 +223 245 1.175 1 0 +224 246 0.837 1 0 +225 247 1.495 1 0 +226 248 0.568 1 0 +227 249 0.335 1 0 +228 250 0.208 1 0 +229 251 0.214 1 0 +230 252 0.412 1 0 +231 253 0.456 1 0 +232 254 0.425 1 0 +233 255 0.542 1 0 +234 256 0.834 1 0 +235 257 1.352 1 0 +236 258 1.212 1 0 +237 259 0.851 1 0 +238 260 0.729 1 0 +239 261 0.679 1 0 +240 262 0.564 1 0 +241 263 0.502 1 0 +242 264 0.459 1 0 +243 265 0.344 1 0 +244 266 0.324 1 0 +245 267 0.314 1 0 +246 268 0.309 1 0 +247 269 0.247 1 0 +248 270 0.491 1 0 +249 271 0.634 1 0 +250 272 0.822 1 0 +251 273 0.865 1 0 +252 274 0.957 1 0 +253 275 0.495 1 0 +254 276 0.481 1 0 +255 277 0.615 1 0 +256 278 0.652 1 0 +257 279 0.742 1 0 +258 280 0.723 1 0 +259 281 0.996 1 0 +260 282 0.850 1 0 +261 283 0.826 1 0 +262 284 0.297 1 0 +263 285 0.273 1 0 +264 286 0.319 1 0 +265 287 0.359 1 0 +266 288 0.452 1 0 +267 289 0.437 1 0 +268 290 0.657 1 0 +269 291 1.030 1 0 +270 292 0.835 1 0 +271 293 0.946 1 0 +272 294 0.728 1 0 +273 295 0.539 1 0 +274 296 0.396 1 0 +275 297 0.177 1 0 +276 298 0.047 1 0 +277 299 0.156 1 0 +278 300 0.259 1 0 +279 301 0.237 1 0 +280 302 0.150 1 0 +281 303 0.124 1 0 +282 304 0.215 1 0 +283 305 0.163 1 0 +284 306 0.348 1 0 +285 307 0.539 1 0 +286 308 0.523 1 0 +287 309 0.576 1 0 +288 310 0.732 1 0 +289 311 0.564 1 0 +290 312 0.677 1 0 +291 313 1.037 1 0 +292 314 0.953 1 0 +293 315 0.568 1 0 +294 316 0.714 1 0 +295 317 0.441 1 0 +296 318 0.393 1 0 +297 319 0.530 1 0 +298 320 0.498 1 0 +299 321 0.303 1 0 +300 322 0.211 1 0 +301 323 1.038 1 0 +302 324 2.180 1 0 +303 325 0.718 1 0 +304 326 0.955 1 0 +305 327 0.674 1 0 +306 328 0.727 1 0 +307 329 0.618 1 0 +308 330 0.370 1 0 +309 331 0.381 1 0 +310 332 0.259 1 0 +311 333 0.278 1 0 +312 334 0.300 1 0 +313 335 0.446 1 0 +314 336 0.309 1 0 +315 337 0.596 1 0 +316 338 0.800 1 0 +317 339 0.711 1 0 +318 340 0.770 1 0 +319 341 0.578 1 0 +320 342 0.497 1 0 +321 343 0.595 1 0 +322 344 5.798 0 1 +323 345 8.790 0 1 +324 346 9.241 0 1 +325 347 10.143 0 1 +326 348 7.211 0 1 +327 349 10.327 0 1 +328 350 10.457 0 1 +329 351 3.982 0 1 +330 352 3.290 0 1 +331 353 2.551 1 0 +332 354 1.324 1 0 +333 355 1.254 1 0 +334 356 1.671 1 0 +335 357 1.915 1 0 +336 358 1.177 1 0 +337 359 1.324 1 0 +338 360 1.086 1 0 +339 361 0.639 1 0 +340 362 0.568 1 0 +341 363 0.453 1 0 +342 364 0.330 1 0 +343 365 0.159 1 0 +344 366 0.379 1 0 +345 367 0.375 1 0 +346 368 0.320 1 0 +347 369 0.353 1 0 +348 370 0.392 1 0 +349 371 0.349 1 0 +350 372 0.229 1 0 +351 373 0.394 1 0 +352 374 0.389 1 0 +353 375 0.313 1 0 +354 376 0.317 1 0 +355 377 0.761 1 0 +356 378 0.536 1 0 +357 379 0.522 1 0 +358 380 0.405 1 0 +359 381 0.289 1 0 +360 382 0.322 1 0 +361 383 0.349 1 0 +362 384 0.215 1 0 +363 385 0.035 1 0 +364 386 0.151 1 0 +365 387 0.135 1 0 +366 388 0.271 1 0 +367 389 0.399 1 0 +368 390 0.648 1 0 +369 391 0.740 1 0 +370 392 0.844 1 0 +371 393 1.037 1 0 +372 394 1.865 1 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_CLIC1_1K0MA_1K0NA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_CLIC1_1K0MA_1K0NA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..46103291c868d923f0155b827bb5a0608f01562b --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_CLIC1_1K0MA_1K0NA/state_region_BLIND_proxy.tsv @@ -0,0 +1,239 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 1 0 +4 0 0 +5 1 0 +6 1 0 +7 1 0 +8 0 0 +9 0 0 +10 0 0 +11 0 1 +12 0 0 +13 0 0 +14 0 0 +15 0 0 +16 0 0 +17 0 0 +18 0 0 +19 1 0 +20 0 0 +21 1 0 +22 0 0 +23 0 0 +24 0 0 +25 1 0 +26 1 0 +27 0 0 +28 1 0 +29 1 0 +30 0 0 +31 1 0 +32 0 0 +33 0 0 +34 1 0 +35 0 1 +36 1 0 +37 0 1 +38 1 0 +39 0 0 +40 0 0 +41 1 0 +42 0 0 +43 0 1 +44 0 1 +45 0 0 +46 0 0 +47 0 0 +48 1 1 +49 0 1 +50 1 0 +51 0 0 +52 0 1 +53 1 0 +54 1 0 +55 0 0 +56 0 0 +57 0 1 +58 0 1 +59 1 0 +60 0 0 +61 1 0 +62 1 0 +63 1 1 +64 0 0 +65 0 0 +66 0 0 +67 0 0 +68 1 1 +69 0 0 +70 0 0 +71 0 0 +72 0 1 +73 0 1 +74 0 0 +75 1 0 +76 0 0 +77 0 0 +78 0 0 +79 1 0 +80 0 0 +81 0 0 +82 1 1 +83 1 0 +84 1 1 +85 0 0 +86 0 0 +87 0 1 +88 0 0 +89 0 0 +90 0 1 +91 0 0 +92 0 1 +93 0 1 +94 0 1 +95 0 1 +96 0 0 +97 0 0 +98 0 0 +99 0 1 +100 0 1 +101 0 0 +102 0 0 +103 1 1 +104 0 0 +105 1 0 +106 0 0 +107 0 1 +108 0 0 +109 1 0 +110 0 0 +111 0 0 +112 0 0 +113 1 0 +114 0 0 +115 0 0 +116 0 1 +117 0 1 +118 0 0 +119 0 1 +120 0 1 +121 0 0 +122 0 1 +123 0 1 +124 1 0 +125 0 0 +126 0 0 +127 0 1 +128 1 0 +129 0 0 +130 0 1 +131 0 0 +132 1 0 +133 0 1 +134 1 0 +135 1 0 +136 0 0 +137 0 1 +138 0 0 +139 1 0 +140 0 1 +141 0 1 +142 0 0 +143 0 0 +144 0 0 +145 0 0 +146 0 0 +147 0 0 +148 0 0 +149 0 0 +150 0 0 +151 0 0 +152 0 0 +153 0 0 +154 0 0 +155 0 0 +156 0 1 +157 0 1 +158 0 0 +159 0 1 +160 0 0 +161 0 1 +162 0 0 +163 1 0 +164 0 0 +165 0 0 +166 0 0 +167 0 1 +168 1 0 +169 0 0 +170 0 0 +171 0 0 +172 0 0 +173 1 0 +174 0 0 +175 1 0 +176 1 0 +177 0 0 +178 0 0 +179 1 0 +180 0 0 +181 1 0 +182 1 0 +183 0 1 +184 1 0 +185 1 0 +186 1 0 +187 0 0 +188 0 0 +189 0 0 +190 0 0 +191 0 1 +192 1 0 +193 0 1 +194 1 0 +195 0 0 +196 0 1 +197 0 1 +198 1 0 +199 0 1 +200 0 0 +201 1 0 +202 0 0 +203 0 0 +204 0 0 +205 1 0 +206 0 1 +207 0 1 +208 0 0 +209 0 0 +210 0 1 +211 0 0 +212 0 0 +213 0 0 +214 1 0 +215 0 1 +216 0 1 +217 0 0 +218 1 0 +219 0 0 +220 0 1 +221 0 0 +222 0 1 +223 0 0 +224 1 0 +225 0 0 +226 0 1 +227 0 0 +228 0 0 +229 0 1 +230 0 1 +231 1 0 +232 0 0 +233 0 0 +234 0 0 +235 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_CLIC1_1K0MA_1K0NA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_CLIC1_1K0MA_1K0NA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..5d120f808f3007d568d8fb550d9738093a86a8a8 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_CLIC1_1K0MA_1K0NA/state_region_FINAL.tsv @@ -0,0 +1,229 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 6 0.579 1 0 +2 7 0.135 1 0 +3 8 0.088 1 0 +4 9 0.166 1 0 +5 10 0.153 1 0 +6 11 0.191 1 0 +7 12 0.257 1 0 +8 13 0.688 1 0 +9 14 0.319 1 0 +10 15 0.552 1 0 +11 16 0.719 1 0 +12 17 0.349 1 0 +13 18 0.365 1 0 +14 19 0.249 1 0 +15 20 0.380 1 0 +16 21 0.702 1 0 +17 22 0.635 1 0 +18 23 0.407 1 0 +19 24 0.344 1 0 +20 25 0.209 1 0 +21 26 0.164 1 0 +22 27 0.431 1 0 +23 28 0.207 1 0 +24 29 0.197 1 0 +25 30 0.211 1 0 +26 31 0.248 1 0 +27 32 0.239 1 0 +28 33 0.266 1 0 +29 34 0.197 1 0 +30 35 0.224 1 0 +31 36 0.240 1 0 +32 37 0.148 1 0 +33 38 0.228 1 0 +34 39 0.123 1 0 +35 40 0.140 1 0 +36 41 0.229 1 0 +37 42 0.268 1 0 +38 43 0.657 1 0 +39 44 0.640 1 0 +40 45 0.095 1 0 +41 46 0.463 1 0 +42 47 0.634 1 0 +43 48 1.027 1 0 +44 49 1.188 1 0 +45 50 0.963 1 0 +46 51 0.793 1 0 +47 52 0.917 1 0 +48 53 1.133 1 0 +49 54 1.082 1 0 +50 55 0.629 1 0 +51 56 0.876 1 0 +52 57 1.035 1 0 +53 58 0.485 1 0 +54 59 0.455 1 0 +55 60 0.819 1 0 +56 61 0.826 1 0 +57 62 0.363 1 0 +58 63 0.357 1 0 +59 64 0.258 1 0 +60 65 0.170 1 0 +61 66 0.125 1 0 +62 67 0.065 1 0 +63 68 0.028 1 0 +64 69 0.223 1 0 +65 70 0.444 1 0 +66 71 0.474 1 0 +67 72 0.075 1 0 +68 73 0.045 1 0 +69 74 0.157 1 0 +70 75 0.228 1 0 +71 76 0.182 1 0 +72 77 0.263 1 0 +73 78 0.207 1 0 +74 79 0.212 1 0 +75 80 0.204 1 0 +76 81 0.219 1 0 +77 82 0.230 1 0 +78 83 0.267 1 0 +79 84 0.209 1 0 +80 85 0.293 1 0 +81 86 0.300 1 0 +82 87 0.195 1 0 +83 88 0.187 1 0 +84 89 0.538 1 0 +85 90 0.695 1 0 +86 91 0.896 1 0 +87 92 0.837 1 0 +88 93 0.342 1 0 +89 94 0.201 1 0 +90 95 0.221 1 0 +91 96 0.203 1 0 +92 97 0.246 1 0 +93 98 0.166 1 0 +94 99 0.387 1 0 +95 100 0.325 1 0 +96 101 0.201 1 0 +97 102 0.508 1 0 +98 103 0.232 1 0 +99 104 0.318 1 0 +100 105 0.801 1 0 +101 106 0.354 1 0 +102 107 0.236 1 0 +103 108 1.102 1 0 +104 109 0.279 1 0 +105 110 0.250 1 0 +106 111 0.119 1 0 +107 112 0.199 1 0 +108 113 0.149 1 0 +109 114 0.194 1 0 +110 115 0.244 1 0 +111 116 0.326 1 0 +112 117 0.229 1 0 +113 118 0.197 1 0 +114 119 0.279 1 0 +115 120 0.244 1 0 +116 121 0.599 1 0 +117 122 0.336 1 0 +118 123 0.816 1 0 +119 124 1.673 1 0 +120 125 0.777 1 0 +121 126 0.574 1 0 +122 127 0.967 1 0 +123 128 0.536 1 0 +124 129 0.301 1 0 +125 130 0.265 1 0 +126 131 0.098 1 0 +127 132 0.246 1 0 +128 133 0.090 1 0 +129 134 0.106 1 0 +130 135 0.110 1 0 +131 136 0.131 1 0 +132 137 0.205 1 0 +133 138 0.111 1 0 +134 139 0.142 1 0 +135 140 0.095 1 0 +136 141 0.056 1 0 +137 142 0.093 1 0 +138 143 0.244 1 0 +139 144 0.120 1 0 +140 145 0.123 1 0 +141 146 0.237 1 0 +142 147 0.503 1 0 +143 148 2.058 1 0 +144 149 5.743 0 1 +145 150 7.959 0 1 +146 151 5.781 0 1 +147 152 5.494 0 1 +158 163 4.221 0 1 +159 164 1.446 1 0 +160 165 0.541 1 0 +161 166 0.426 1 0 +162 167 0.192 1 0 +163 168 0.192 1 0 +164 169 0.159 1 0 +165 170 0.379 1 0 +166 171 0.382 1 0 +167 172 0.281 1 0 +168 173 0.216 1 0 +169 174 0.207 1 0 +170 175 0.193 1 0 +171 176 0.208 1 0 +172 177 0.105 1 0 +173 178 0.120 1 0 +174 179 0.117 1 0 +175 180 0.083 1 0 +176 181 0.159 1 0 +177 182 0.161 1 0 +178 183 0.155 1 0 +179 184 0.144 1 0 +180 185 0.151 1 0 +181 186 0.203 1 0 +182 187 0.179 1 0 +183 188 0.132 1 0 +184 189 0.289 1 0 +185 190 0.268 1 0 +186 191 0.237 1 0 +187 192 0.201 1 0 +188 193 0.348 1 0 +189 194 0.475 1 0 +190 195 0.456 1 0 +191 196 0.428 1 0 +192 197 0.343 1 0 +193 198 0.255 1 0 +194 199 0.274 1 0 +195 200 0.337 1 0 +196 201 0.366 1 0 +197 202 0.434 1 0 +198 203 0.223 1 0 +199 204 0.334 1 0 +200 205 0.153 1 0 +201 206 0.144 1 0 +202 207 0.353 1 0 +203 208 0.407 1 0 +204 209 0.242 1 0 +205 210 0.289 1 0 +206 211 0.278 1 0 +207 212 0.188 1 0 +208 213 0.209 1 0 +209 214 0.100 1 0 +210 215 0.154 1 0 +211 216 0.189 1 0 +212 217 0.276 1 0 +213 218 0.169 1 0 +214 219 0.105 1 0 +215 220 0.127 1 0 +216 221 0.192 1 0 +217 222 0.186 1 0 +218 223 0.143 1 0 +219 224 0.379 1 0 +220 225 0.452 1 0 +221 226 0.437 1 0 +222 227 0.577 1 0 +223 228 0.467 1 0 +224 229 0.329 1 0 +225 230 0.294 1 0 +226 231 0.290 1 0 +227 232 0.531 1 0 +228 233 0.470 1 0 +229 234 0.590 1 0 +230 235 0.493 1 0 +231 236 0.252 1 0 +232 237 0.475 1 0 +233 238 0.904 1 0 +234 239 1.479 1 0 +235 240 1.026 1 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_DLC8_2PG1A_1F3CA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_DLC8_2PG1A_1F3CA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..a8202250f93e0af61dad310a0a5b76eaaa95eb42 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_DLC8_2PG1A_1F3CA/state_region_BLIND_proxy.tsv @@ -0,0 +1,89 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 1 0 +5 0 0 +6 0 1 +7 0 1 +8 0 0 +9 0 0 +10 0 1 +11 0 1 +12 0 0 +13 0 0 +14 0 0 +15 0 1 +16 0 1 +17 0 0 +18 1 1 +19 0 1 +20 1 1 +21 0 0 +22 0 1 +23 0 1 +24 0 0 +25 1 0 +26 0 0 +27 0 0 +28 0 1 +29 0 1 +30 1 1 +31 0 0 +32 0 0 +33 0 0 +34 1 0 +35 0 0 +36 0 1 +37 0 1 +38 1 0 +39 0 0 +40 0 0 +41 0 0 +42 1 0 +43 0 0 +44 0 0 +45 0 0 +46 0 0 +47 0 0 +48 0 0 +49 0 1 +50 0 0 +51 0 0 +52 1 0 +53 1 0 +54 1 0 +55 0 0 +56 0 0 +57 0 0 +58 1 0 +59 0 0 +60 0 0 +61 0 0 +62 1 0 +63 0 0 +64 0 0 +65 0 0 +66 0 1 +67 0 0 +68 0 1 +69 1 0 +70 1 0 +71 0 0 +72 1 0 +73 0 0 +74 1 1 +75 0 0 +76 0 1 +77 1 1 +78 0 0 +79 1 0 +80 1 0 +81 1 0 +82 1 0 +83 0 0 +84 0 0 +85 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_DLC8_2PG1A_1F3CA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_DLC8_2PG1A_1F3CA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..b588a015f94436c9365b29390ba71c4677fca31e --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_DLC8_2PG1A_1F3CA/state_region_FINAL.tsv @@ -0,0 +1,89 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 5 3.342 0 1 +2 6 2.044 1 0 +3 7 1.345 1 0 +4 8 1.402 1 0 +5 9 1.004 1 0 +6 10 0.687 1 0 +7 11 0.696 1 0 +8 12 0.993 1 0 +9 13 1.171 1 0 +10 14 1.008 1 0 +11 15 1.145 1 0 +12 16 1.140 1 0 +13 17 0.702 1 0 +14 18 1.163 1 0 +15 19 1.427 1 0 +16 20 0.948 1 0 +17 21 0.556 1 0 +18 22 1.404 1 0 +19 23 1.334 1 0 +20 24 0.972 1 0 +21 25 1.400 1 0 +22 26 1.525 1 0 +23 27 1.445 1 0 +24 28 1.115 1 0 +25 29 0.870 1 0 +26 30 0.907 1 0 +27 31 0.592 1 0 +28 32 0.556 1 0 +29 33 1.783 1 0 +30 34 1.330 1 0 +31 35 1.113 1 0 +32 36 1.109 1 0 +33 37 0.846 1 0 +34 38 0.571 1 0 +35 39 0.478 1 0 +36 40 0.489 1 0 +37 41 0.488 1 0 +38 42 0.360 1 0 +39 43 0.421 1 0 +40 44 0.742 1 0 +41 45 1.281 1 0 +42 46 1.273 1 0 +43 47 0.754 1 0 +44 48 0.864 1 0 +45 49 1.619 1 0 +46 50 1.514 1 0 +47 51 1.096 1 0 +48 52 0.953 1 0 +49 53 1.133 1 0 +50 54 0.948 1 0 +51 55 1.003 1 0 +52 56 1.443 1 0 +53 57 1.080 1 0 +54 58 1.094 1 0 +55 59 1.047 1 0 +56 60 1.277 1 0 +57 61 1.161 1 0 +58 62 1.239 1 0 +59 63 1.483 1 0 +60 64 2.508 1 0 +61 65 1.745 1 0 +62 66 0.746 1 0 +63 67 1.533 1 0 +64 68 2.236 1 0 +65 69 2.001 1 0 +66 70 2.907 1 0 +67 71 1.605 1 0 +68 72 1.547 1 0 +69 73 0.587 1 0 +70 74 0.693 1 0 +71 75 0.565 1 0 +72 76 0.552 1 0 +73 77 0.583 1 0 +74 78 0.352 1 0 +75 79 1.172 1 0 +76 80 1.886 1 0 +77 81 0.578 1 0 +78 82 0.989 1 0 +79 83 0.584 1 0 +80 84 0.577 1 0 +81 85 0.833 1 0 +82 86 0.444 1 0 +83 87 0.368 1 0 +84 88 1.430 1 0 +85 89 4.650 0 1 diff --git a/bench/main_benchmark/annotations/SFB_FS_GA98GB98_2LHCA_2LHDA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_GA98GB98_2LHCA_2LHDA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..f5afe2fbdc2279e15be85d24e41d495739d7cb63 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_GA98GB98_2LHCA_2LHDA/state_region_BLIND_proxy.tsv @@ -0,0 +1,60 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 1 0 +6 1 1 +7 1 1 +8 0 1 +9 1 0 +10 0 1 +11 0 1 +12 0 1 +13 0 0 +14 0 0 +15 0 0 +16 0 0 +17 1 1 +18 0 1 +19 0 0 +20 1 0 +21 1 1 +22 0 0 +23 0 0 +24 0 1 +25 0 0 +26 0 0 +27 0 0 +28 0 1 +29 0 1 +30 0 0 +31 0 0 +32 1 0 +33 1 0 +34 0 0 +35 0 0 +36 0 1 +37 0 0 +38 0 0 +39 1 0 +40 0 0 +41 0 0 +42 1 0 +43 0 0 +44 0 1 +45 1 0 +46 0 0 +47 0 0 +48 0 0 +49 1 0 +50 0 0 +51 0 0 +52 0 0 +53 0 0 +54 1 0 +55 0 0 +56 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_GA98GB98_2LHCA_2LHDA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_GA98GB98_2LHCA_2LHDA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..4fcf9051653ed31812d6ce66844115b9c26a8501 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_GA98GB98_2LHCA_2LHDA/state_region_FINAL.tsv @@ -0,0 +1,60 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 27.140 0 1 +2 2 26.366 0 1 +3 3 27.781 0 1 +4 4 23.384 0 1 +5 5 18.083 0 1 +6 6 11.747 0 1 +7 7 8.312 0 1 +8 8 3.004 0 1 +9 9 5.396 0 1 +10 10 8.973 0 1 +11 11 10.805 0 1 +12 12 9.914 0 1 +13 13 8.754 0 1 +14 14 7.010 0 1 +15 15 3.639 0 1 +16 16 4.154 0 1 +17 17 6.026 0 1 +18 18 5.073 0 1 +19 19 3.752 0 1 +20 20 4.325 0 1 +21 21 7.612 0 1 +22 22 8.878 0 1 +23 23 9.122 0 1 +24 24 9.195 0 1 +25 25 4.748 0 1 +26 26 3.334 0 1 +27 27 2.157 1 0 +28 28 1.400 1 0 +29 29 0.548 1 0 +30 30 0.962 1 0 +31 31 0.798 1 0 +32 32 0.326 1 0 +33 33 1.536 1 0 +34 34 1.664 1 0 +35 35 0.178 1 0 +36 36 1.615 1 0 +37 37 3.043 0 1 +38 38 4.974 0 1 +39 39 9.911 0 1 +40 40 16.559 0 1 +41 41 17.834 0 1 +42 42 17.133 0 1 +43 43 17.746 0 1 +44 44 20.958 0 1 +45 45 18.703 0 1 +46 46 17.644 0 1 +47 47 22.240 0 1 +48 48 23.662 0 1 +49 49 16.835 0 1 +50 50 15.508 0 1 +51 51 18.597 0 1 +52 52 19.043 0 1 +53 53 25.026 0 1 +54 54 28.949 0 1 +55 55 32.092 0 1 +56 56 36.460 0 1 diff --git a/bench/main_benchmark/annotations/SFB_FS_IscU_1WFZA_2KQKA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_IscU_1WFZA_2KQKA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..30f6cfe3c5ce24375aa02297acee5fc37a3ae97c --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_IscU_1WFZA_2KQKA/state_region_BLIND_proxy.tsv @@ -0,0 +1,134 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 0 0 +7 0 0 +8 0 0 +9 0 0 +10 0 0 +11 0 0 +12 0 0 +13 0 0 +14 0 0 +15 0 1 +16 0 0 +17 0 1 +18 0 1 +19 0 1 +20 0 0 +21 0 1 +22 0 0 +23 1 0 +24 0 0 +25 0 1 +26 0 0 +27 1 1 +28 1 0 +29 0 0 +30 0 0 +31 0 0 +32 0 1 +33 1 0 +34 0 0 +35 0 0 +36 1 1 +37 1 0 +38 0 1 +39 1 0 +40 0 1 +41 1 0 +42 0 0 +43 1 0 +44 0 1 +45 0 1 +46 0 1 +47 0 0 +48 0 1 +49 1 0 +50 1 1 +51 0 0 +52 0 0 +53 0 0 +54 1 0 +55 0 0 +56 0 0 +57 1 0 +58 0 0 +59 1 0 +60 0 0 +61 0 0 +62 0 0 +63 1 0 +64 0 0 +65 0 0 +66 0 0 +67 0 0 +68 1 1 +69 0 0 +70 0 0 +71 0 0 +72 0 1 +73 1 0 +74 0 0 +75 0 0 +76 0 0 +77 1 0 +78 1 0 +79 0 0 +80 0 0 +81 0 0 +82 1 1 +83 0 1 +84 1 0 +85 0 1 +86 0 0 +87 0 1 +88 0 0 +89 1 0 +90 0 0 +91 0 1 +92 0 1 +93 1 0 +94 0 0 +95 1 0 +96 0 0 +97 0 0 +98 1 1 +99 0 0 +100 1 1 +101 0 0 +102 1 0 +103 0 0 +104 0 1 +105 1 0 +106 0 0 +107 0 1 +108 0 1 +109 1 0 +110 1 0 +111 0 1 +112 0 0 +113 0 0 +114 1 0 +115 0 1 +116 0 0 +117 1 0 +118 0 1 +119 0 1 +120 0 0 +121 0 0 +122 1 0 +123 0 0 +124 0 0 +125 0 0 +126 0 0 +127 0 0 +128 0 0 +129 0 0 +130 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_IscU_1WFZA_2KQKA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_IscU_1WFZA_2KQKA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..f20e4d177136fe97c545b015ff243696bc30792f --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_IscU_1WFZA_2KQKA/state_region_FINAL.tsv @@ -0,0 +1,132 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 20.590 0 1 +2 2 16.056 0 1 +3 3 16.976 0 1 +4 4 12.797 0 1 +5 5 13.087 0 1 +6 6 11.118 0 1 +7 7 15.864 0 1 +8 8 18.333 0 1 +9 9 11.837 0 1 +10 10 12.370 0 1 +11 11 9.400 0 1 +12 12 11.849 0 1 +13 13 12.802 0 1 +14 14 9.594 0 1 +15 15 12.879 0 1 +16 16 8.354 0 1 +17 17 10.150 0 1 +18 18 11.742 0 1 +19 19 11.435 0 1 +20 20 9.822 0 1 +21 21 11.761 0 1 +22 22 8.836 0 1 +23 23 8.636 0 1 +24 24 13.777 0 1 +25 25 17.491 0 1 +26 26 18.847 0 1 +27 27 18.931 0 1 +28 28 18.661 0 1 +29 29 18.896 0 1 +30 30 18.964 0 1 +31 31 18.335 0 1 +32 32 17.854 0 1 +33 33 13.940 0 1 +34 34 8.167 0 1 +35 35 5.824 0 1 +36 36 5.745 0 1 +37 37 5.065 0 1 +38 38 7.458 0 1 +39 39 7.318 0 1 +40 40 7.080 0 1 +41 41 7.322 0 1 +42 42 7.598 0 1 +43 43 7.026 0 1 +44 44 7.127 0 1 +45 45 6.957 0 1 +46 46 5.585 0 1 +47 47 4.485 0 1 +48 48 10.503 0 1 +49 49 16.912 0 1 +50 50 18.520 0 1 +51 51 18.820 0 1 +52 52 18.162 0 1 +53 53 17.898 0 1 +54 54 21.175 0 1 +55 55 21.464 0 1 +56 56 20.739 0 1 +57 57 21.665 0 1 +58 58 21.135 0 1 +59 59 20.723 0 1 +60 60 16.243 0 1 +61 61 16.294 0 1 +62 62 10.325 0 1 +63 63 6.939 0 1 +64 64 6.661 0 1 +65 65 8.201 0 1 +66 66 6.551 0 1 +67 67 1.189 1 0 +68 68 2.056 1 0 +69 69 1.284 1 0 +70 70 1.786 1 0 +71 71 2.466 1 0 +72 72 1.586 1 0 +73 73 2.612 1 0 +74 74 3.736 0 1 +75 75 2.746 1 0 +76 76 2.520 1 0 +77 77 1.254 1 0 +78 78 6.164 0 1 +79 79 7.942 0 1 +80 80 6.632 0 1 +81 81 11.259 0 1 +82 82 10.264 0 1 +83 83 11.487 0 1 +84 84 11.747 0 1 +85 85 12.745 0 1 +86 86 15.863 0 1 +87 87 16.924 0 1 +88 88 13.842 0 1 +89 89 12.664 0 1 +90 90 11.553 0 1 +91 91 11.849 0 1 +92 92 12.372 0 1 +93 93 12.347 0 1 +94 94 11.376 0 1 +95 95 12.101 0 1 +96 96 16.742 0 1 +97 97 15.747 0 1 +98 98 14.450 0 1 +99 99 9.229 0 1 +100 100 5.555 0 1 +101 101 5.871 0 1 +102 102 4.518 0 1 +103 103 4.726 0 1 +104 104 2.670 1 0 +105 105 1.877 1 0 +106 106 2.367 1 0 +107 107 2.146 1 0 +108 108 1.520 1 0 +109 109 1.160 1 0 +110 110 1.444 1 0 +111 111 1.874 1 0 +112 112 1.852 1 0 +113 113 1.515 1 0 +114 114 1.747 1 0 +115 115 1.329 1 0 +116 116 1.078 1 0 +117 117 0.952 1 0 +118 118 1.275 1 0 +119 119 1.182 1 0 +120 120 1.776 1 0 +121 121 2.294 1 0 +122 122 2.448 1 0 +123 123 2.675 1 0 +124 124 3.190 0 1 +125 125 8.006 0 1 +126 126 8.426 0 1 +127 127 11.194 0 1 +128 128 16.080 0 1 diff --git a/bench/main_benchmark/annotations/SFB_FS_KAIA_1R8JA_1R8QA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_KAIA_1R8JA_1R8QA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..9c7f68956e8e83a348efbdf269fa967afcc65665 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_KAIA_1R8JA_1R8QA/state_region_BLIND_proxy.tsv @@ -0,0 +1,276 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 1 0 +6 0 0 +7 1 0 +8 1 0 +9 1 1 +10 0 0 +11 1 0 +12 0 1 +13 0 0 +14 0 1 +15 0 1 +16 1 0 +17 1 0 +18 0 0 +19 0 0 +20 0 0 +21 0 1 +22 0 0 +23 0 1 +24 1 0 +25 0 1 +26 0 1 +27 0 0 +28 0 0 +29 0 0 +30 0 1 +31 1 0 +32 0 1 +33 1 1 +34 1 1 +35 0 1 +36 0 0 +37 0 1 +38 0 1 +39 0 0 +40 1 0 +41 1 0 +42 0 1 +43 0 1 +44 0 0 +45 0 0 +46 0 1 +47 0 1 +48 0 0 +49 0 0 +50 0 1 +51 1 0 +52 0 0 +53 0 0 +54 1 0 +55 1 0 +56 1 0 +57 1 1 +58 0 0 +59 0 1 +60 0 1 +61 0 1 +62 0 1 +63 1 0 +64 0 1 +65 0 1 +66 1 0 +67 1 1 +68 0 1 +69 0 1 +70 1 0 +71 1 1 +72 0 1 +73 0 0 +74 0 0 +75 1 0 +76 0 0 +77 1 0 +78 0 0 +79 0 0 +80 1 0 +81 1 0 +82 1 0 +83 0 1 +84 0 1 +85 0 1 +86 0 1 +87 0 1 +88 0 1 +89 0 1 +90 0 1 +91 0 1 +92 0 1 +93 0 0 +94 0 0 +95 0 1 +96 0 0 +97 0 0 +98 1 0 +99 0 0 +100 1 0 +101 0 0 +102 1 1 +103 0 0 +104 0 0 +105 1 0 +106 0 0 +107 0 0 +108 1 0 +109 0 1 +110 0 1 +111 0 1 +112 1 0 +113 0 0 +114 0 0 +115 0 0 +116 1 0 +117 0 0 +118 0 0 +119 1 0 +120 1 0 +121 0 0 +122 1 0 +123 0 0 +124 0 0 +125 0 1 +126 0 1 +127 0 1 +128 0 1 +129 0 1 +130 0 1 +131 0 1 +132 1 1 +133 0 1 +134 0 1 +135 0 1 +136 0 1 +137 0 1 +138 0 1 +139 0 0 +140 0 1 +141 0 1 +142 0 0 +143 0 0 +144 0 0 +145 0 0 +146 1 0 +147 0 0 +148 0 0 +149 0 0 +150 1 0 +151 0 0 +152 0 0 +153 0 0 +154 1 0 +155 0 0 +156 0 0 +157 1 0 +158 0 0 +159 1 0 +160 0 0 +161 0 0 +162 0 0 +163 0 0 +164 0 0 +165 0 0 +166 0 0 +167 0 0 +168 0 0 +169 0 0 +170 0 0 +171 0 0 +172 1 0 +173 0 0 +174 0 0 +175 0 1 +176 0 0 +177 0 0 +178 0 0 +179 0 0 +180 1 0 +181 0 0 +182 0 1 +183 0 0 +184 0 0 +185 0 0 +186 0 1 +187 0 0 +188 0 0 +189 0 0 +190 0 0 +191 1 0 +192 1 0 +193 0 0 +194 0 0 +195 0 0 +196 0 0 +197 0 0 +198 0 0 +199 0 0 +200 0 1 +201 0 1 +202 1 0 +203 0 0 +204 0 0 +205 0 0 +206 1 0 +207 0 0 +208 0 0 +209 1 0 +210 1 0 +211 0 0 +212 0 0 +213 0 0 +214 0 0 +215 0 0 +216 0 0 +217 0 0 +218 1 0 +219 0 0 +220 1 0 +221 0 0 +222 0 0 +223 1 0 +224 1 0 +225 0 0 +226 1 0 +227 0 0 +228 0 0 +229 0 0 +230 1 0 +231 0 0 +232 0 0 +233 0 0 +234 0 0 +235 0 0 +236 0 0 +237 0 0 +238 1 0 +239 0 0 +240 0 0 +241 0 0 +242 0 0 +243 0 0 +244 0 0 +245 0 0 +246 0 0 +247 1 0 +248 0 0 +249 0 0 +250 0 0 +251 0 0 +252 0 0 +253 1 0 +254 0 0 +255 1 0 +256 1 0 +257 0 0 +258 1 0 +259 1 0 +260 0 0 +261 0 0 +262 1 0 +263 1 0 +264 0 0 +265 0 0 +266 0 0 +267 0 0 +268 0 0 +269 0 0 +270 1 0 +271 0 0 +272 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_KAIA_1R8JA_1R8QA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_KAIA_1R8JA_1R8QA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..c0a1f12fc7752067b7818171020dabc3fc586b5b --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_KAIA_1R8JA_1R8QA/state_region_FINAL.tsv @@ -0,0 +1,173 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +2 2 7.829 0 1 +3 3 5.017 0 1 +4 4 5.683 0 1 +5 5 6.573 0 1 +6 6 9.830 0 1 +7 7 17.117 0 1 +8 8 19.502 0 1 +9 9 22.768 0 1 +10 10 28.477 0 1 +11 11 33.733 0 1 +12 12 35.478 0 1 +13 13 40.056 0 1 +14 14 38.099 0 1 +15 15 40.131 0 1 +16 16 35.481 0 1 +17 17 28.688 0 1 +18 18 29.601 0 1 +19 19 27.636 0 1 +20 20 21.962 0 1 +21 21 20.780 0 1 +22 22 21.902 0 1 +23 23 21.357 0 1 +24 24 19.348 0 1 +25 25 23.573 0 1 +26 26 23.197 0 1 +27 27 22.862 0 1 +28 28 19.874 0 1 +29 29 13.330 0 1 +30 30 11.640 0 1 +31 31 7.308 0 1 +32 32 10.844 0 1 +33 33 12.714 0 1 +34 34 12.136 0 1 +35 35 16.478 0 1 +36 36 22.247 0 1 +37 37 22.108 0 1 +38 38 23.197 0 1 +39 39 23.323 0 1 +40 40 20.737 0 1 +41 41 24.378 0 1 +42 42 23.164 0 1 +43 43 19.643 0 1 +44 44 22.604 0 1 +45 45 22.915 0 1 +46 46 22.332 0 1 +47 47 20.894 0 1 +48 48 22.190 0 1 +49 49 25.264 0 1 +50 50 20.656 0 1 +51 51 16.018 0 1 +52 52 16.107 0 1 +53 53 12.989 0 1 +54 54 8.418 0 1 +55 55 11.826 0 1 +56 56 16.470 0 1 +57 57 23.038 0 1 +58 58 28.967 0 1 +59 59 33.252 0 1 +60 60 32.098 0 1 +61 61 30.264 0 1 +62 62 26.352 0 1 +63 63 21.070 0 1 +64 64 19.533 0 1 +65 65 15.871 0 1 +66 66 9.215 0 1 +67 67 6.648 0 1 +68 68 5.941 0 1 +69 69 6.157 0 1 +70 70 9.468 0 1 +71 71 12.447 0 1 +72 72 9.234 0 1 +73 73 13.147 0 1 +74 74 15.635 0 1 +75 75 12.953 0 1 +76 76 18.741 0 1 +77 77 21.153 0 1 +78 78 20.789 0 1 +79 79 22.670 0 1 +80 80 26.576 0 1 +81 81 23.730 0 1 +82 82 25.793 0 1 +83 83 32.346 0 1 +84 84 33.507 0 1 +85 85 31.378 0 1 +86 86 30.622 0 1 +87 93 12.766 0 1 +88 94 12.778 0 1 +89 95 10.071 0 1 +90 96 5.176 0 1 +91 97 5.348 0 1 +92 98 7.297 0 1 +93 99 6.152 0 1 +94 100 4.552 0 1 +95 101 7.749 0 1 +96 102 11.939 0 1 +97 103 8.752 0 1 +98 104 15.212 0 1 +99 105 18.934 0 1 +100 106 20.602 0 1 +101 107 24.336 0 1 +102 108 28.861 0 1 +103 109 32.276 0 1 +104 110 30.180 0 1 +105 111 31.019 0 1 +106 112 36.709 0 1 +107 113 34.916 0 1 +108 114 34.603 0 1 +109 115 33.151 0 1 +110 116 31.418 0 1 +111 117 31.446 0 1 +112 118 27.771 0 1 +113 119 24.542 0 1 +114 120 22.607 0 1 +115 121 16.582 0 1 +116 122 10.763 0 1 +117 123 10.345 0 1 +118 124 6.143 0 1 +119 125 1.864 1 0 +120 126 7.044 0 1 +121 127 9.430 0 1 +122 128 8.695 0 1 +123 129 15.470 0 1 +124 130 18.541 0 1 +125 131 17.639 0 1 +126 132 16.019 0 1 +127 133 14.951 0 1 +128 134 13.577 0 1 +129 135 19.226 0 1 +130 136 17.537 0 1 +131 137 15.748 0 1 +132 138 14.454 0 1 +133 139 13.100 0 1 +134 140 11.373 0 1 +135 141 4.755 0 1 +136 146 11.237 0 1 +137 147 5.857 0 1 +138 148 1.049 1 0 +139 149 4.570 0 1 +140 150 8.546 0 1 +141 151 4.872 0 1 +142 152 4.603 0 1 +143 153 3.970 0 1 +144 154 1.101 1 0 +145 155 7.771 0 1 +146 156 8.147 0 1 +147 157 8.308 0 1 +148 158 12.226 0 1 +149 159 15.840 0 1 +150 160 11.627 0 1 +151 161 15.706 0 1 +152 162 16.182 0 1 +153 163 10.147 0 1 +154 164 6.145 0 1 +155 165 5.393 0 1 +156 166 10.424 0 1 +157 167 11.273 0 1 +158 168 12.810 0 1 +159 169 19.611 0 1 +160 170 23.040 0 1 +161 171 24.828 0 1 +162 172 25.013 0 1 +163 173 30.807 0 1 +164 174 33.954 0 1 +165 175 31.442 0 1 +166 176 35.598 0 1 +167 177 41.189 0 1 +168 178 40.436 0 1 +169 179 42.522 0 1 +170 180 42.926 0 1 diff --git a/bench/main_benchmark/annotations/SFB_FS_KAIB_2QKEB_5JYTA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_KAIB_2QKEB_5JYTA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..9f6530f087755508882d1aa3ffa817f99aceff33 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_KAIB_2QKEB_5JYTA/state_region_BLIND_proxy.tsv @@ -0,0 +1,95 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 1 1 +6 1 0 +7 0 0 +8 1 0 +9 0 0 +10 1 0 +11 0 0 +12 0 0 +13 0 1 +14 0 0 +15 0 0 +16 0 1 +17 0 0 +18 0 1 +19 0 0 +20 0 0 +21 1 0 +22 0 1 +23 0 0 +24 1 0 +25 0 0 +26 0 1 +27 1 0 +28 1 0 +29 0 0 +30 0 1 +31 0 1 +32 0 0 +33 0 1 +34 0 0 +35 1 1 +36 0 0 +37 0 1 +38 1 0 +39 0 0 +40 1 0 +41 1 0 +42 0 0 +43 1 0 +44 0 1 +45 0 0 +46 0 1 +47 0 0 +48 0 1 +49 0 0 +50 0 0 +51 0 1 +52 0 1 +53 0 0 +54 0 0 +55 1 0 +56 0 0 +57 0 0 +58 0 0 +59 0 0 +60 0 0 +61 1 0 +62 0 0 +63 0 0 +64 1 1 +65 0 1 +66 0 0 +67 0 1 +68 0 0 +69 0 1 +70 0 0 +71 0 0 +72 1 0 +73 1 0 +74 0 0 +75 0 0 +76 1 0 +77 0 0 +78 0 0 +79 0 1 +80 0 1 +81 0 0 +82 1 0 +83 0 0 +84 1 1 +85 0 0 +86 1 0 +87 0 0 +88 1 0 +89 0 0 +90 0 0 +91 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_KAIB_2QKEB_5JYTA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_KAIB_2QKEB_5JYTA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..90e089246f003668ebb8f4f03d79b784e0dd96d7 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_KAIB_2QKEB_5JYTA/state_region_FINAL.tsv @@ -0,0 +1,95 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 5 12.125 0 1 +2 6 9.521 0 1 +3 7 3.739 0 1 +4 8 1.530 1 0 +5 9 1.645 1 0 +6 10 0.584 1 0 +7 11 0.555 1 0 +8 12 1.187 1 0 +9 13 1.398 1 0 +10 14 2.132 1 0 +11 15 2.753 1 0 +12 16 2.998 1 0 +13 17 2.274 1 0 +14 18 0.816 1 0 +15 19 3.560 0 1 +16 20 5.123 0 1 +17 21 2.949 1 0 +18 22 1.272 1 0 +19 23 3.668 0 1 +20 24 3.505 0 1 +21 25 0.965 1 0 +22 26 1.874 1 0 +23 27 2.710 1 0 +24 28 1.781 1 0 +25 29 0.517 1 0 +26 30 1.420 1 0 +27 31 0.751 1 0 +28 32 0.988 1 0 +29 33 1.829 1 0 +30 34 1.167 1 0 +31 35 1.598 1 0 +32 36 1.284 1 0 +33 37 1.293 1 0 +34 38 0.844 1 0 +35 39 0.857 1 0 +36 40 0.501 1 0 +37 41 2.135 1 0 +38 42 1.902 1 0 +39 43 1.705 1 0 +40 44 1.428 1 0 +41 45 0.905 1 0 +42 46 1.157 1 0 +43 47 0.819 1 0 +44 48 0.566 1 0 +45 49 0.366 1 0 +46 50 0.849 1 0 +47 51 1.254 1 0 +48 52 1.568 1 0 +49 53 1.987 1 0 +50 54 8.987 0 1 +51 55 11.072 0 1 +52 56 9.048 0 1 +53 57 5.888 0 1 +54 58 7.490 0 1 +55 59 5.800 0 1 +56 60 10.182 0 1 +57 61 8.896 0 1 +58 62 9.500 0 1 +59 63 11.944 0 1 +60 64 10.902 0 1 +61 65 7.676 0 1 +62 66 6.395 0 1 +63 67 10.101 0 1 +64 68 11.668 0 1 +65 69 11.721 0 1 +66 70 14.909 0 1 +67 71 19.780 0 1 +68 72 21.350 0 1 +69 73 15.888 0 1 +70 74 11.297 0 1 +71 75 13.188 0 1 +72 76 9.945 0 1 +73 77 6.095 0 1 +74 78 2.550 1 0 +75 79 2.276 1 0 +76 80 4.383 0 1 +77 81 8.729 0 1 +78 82 10.931 0 1 +79 83 13.443 0 1 +80 84 16.147 0 1 +81 85 16.058 0 1 +82 86 15.439 0 1 +83 87 16.900 0 1 +84 88 20.238 0 1 +85 89 14.517 0 1 +86 90 12.833 0 1 +87 91 15.759 0 1 +88 92 13.442 0 1 +89 93 12.411 0 1 +90 94 12.829 0 1 +91 95 19.180 0 1 diff --git a/bench/main_benchmark/annotations/SFB_FS_MAD2_1DUJA_1GO4A/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_MAD2_1DUJA_1GO4A/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..57db5fbf26e0a6416f33f83401e305a55d77d033 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_MAD2_1DUJA_1GO4A/state_region_BLIND_proxy.tsv @@ -0,0 +1,191 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 1 0 +4 0 0 +5 1 0 +6 0 0 +7 0 0 +8 0 0 +9 0 0 +10 0 1 +11 1 0 +12 1 0 +13 0 1 +14 0 0 +15 1 0 +16 1 0 +17 0 1 +18 1 0 +19 0 0 +20 1 0 +21 0 0 +22 0 0 +23 1 0 +24 0 0 +25 0 0 +26 0 0 +27 0 0 +28 0 0 +29 1 0 +30 0 0 +31 0 0 +32 0 0 +33 0 0 +34 0 0 +35 0 0 +36 0 1 +37 0 1 +38 1 0 +39 0 0 +40 0 0 +41 0 0 +42 0 0 +43 1 0 +44 0 0 +45 1 0 +46 1 0 +47 1 0 +48 0 0 +49 0 1 +50 0 0 +51 0 0 +52 0 1 +53 1 0 +54 1 0 +55 0 1 +56 0 0 +57 1 0 +58 0 1 +59 0 1 +60 1 0 +61 1 0 +62 0 1 +63 0 0 +64 1 0 +65 0 1 +66 0 1 +67 0 0 +68 1 0 +69 0 1 +70 0 1 +71 1 0 +72 0 1 +73 1 0 +74 0 1 +75 0 0 +76 1 0 +77 1 0 +78 1 0 +79 1 0 +80 1 0 +81 0 1 +82 0 0 +83 0 0 +84 0 0 +85 0 0 +86 0 1 +87 0 0 +88 0 0 +89 0 0 +90 0 0 +91 0 0 +92 0 0 +93 0 0 +94 1 0 +95 0 0 +96 1 0 +97 0 0 +98 1 1 +99 0 1 +100 0 1 +101 0 1 +102 0 1 +103 1 1 +104 0 1 +105 0 1 +106 0 1 +107 0 1 +108 0 1 +109 0 1 +110 0 1 +111 0 0 +112 0 0 +113 0 1 +114 0 0 +115 0 0 +116 1 0 +117 0 0 +118 0 1 +119 0 0 +120 1 0 +121 0 0 +122 0 0 +123 1 0 +124 1 0 +125 0 0 +126 0 0 +127 1 0 +128 0 0 +129 0 0 +130 0 0 +131 1 0 +132 0 0 +133 0 0 +134 1 0 +135 0 0 +136 0 0 +137 0 0 +138 0 0 +139 1 1 +140 0 1 +141 0 0 +142 0 0 +143 1 0 +144 0 0 +145 1 0 +146 1 0 +147 1 0 +148 0 0 +149 0 0 +150 0 0 +151 0 1 +152 0 0 +153 0 1 +154 0 1 +155 0 0 +156 0 0 +157 0 1 +158 0 0 +159 0 0 +160 0 1 +161 0 0 +162 0 0 +163 0 0 +164 0 0 +165 0 1 +166 0 1 +167 0 0 +168 0 1 +169 0 0 +170 0 0 +171 0 0 +172 0 1 +173 1 0 +174 0 0 +175 0 0 +176 0 0 +177 0 0 +178 0 0 +179 0 0 +180 0 0 +181 0 1 +182 1 1 +183 0 0 +184 0 0 +185 0 0 +186 0 0 +187 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_MAD2_1DUJA_1GO4A/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_MAD2_1DUJA_1GO4A/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..e9791f61f7e1749fa7b217be49d7d3f8641de139 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_MAD2_1DUJA_1GO4A/state_region_FINAL.tsv @@ -0,0 +1,191 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 11 28.918 0 1 +2 12 27.105 0 1 +3 13 22.253 0 1 +4 14 20.069 0 1 +5 15 15.615 0 1 +6 16 10.207 0 1 +7 17 10.520 0 1 +8 18 10.005 0 1 +9 19 7.020 0 1 +10 20 5.380 0 1 +11 21 8.158 0 1 +12 22 8.317 0 1 +13 23 6.096 0 1 +14 24 5.761 0 1 +15 25 8.413 0 1 +16 26 8.051 0 1 +17 27 5.760 0 1 +18 28 6.089 0 1 +19 29 7.759 0 1 +20 30 7.634 0 1 +21 31 6.446 0 1 +22 32 6.120 0 1 +23 33 7.160 0 1 +24 34 7.687 0 1 +25 35 7.282 0 1 +26 36 5.998 0 1 +27 37 4.163 0 1 +28 38 4.113 0 1 +29 39 7.715 0 1 +30 40 9.019 0 1 +31 41 8.164 0 1 +32 42 1.738 1 0 +33 43 3.023 0 1 +34 44 3.644 0 1 +35 45 4.889 0 1 +36 46 3.021 0 1 +37 47 3.261 0 1 +38 48 1.964 1 0 +39 49 3.079 0 1 +40 50 4.317 0 1 +41 51 8.371 0 1 +42 52 11.403 0 1 +43 53 9.720 0 1 +44 54 9.918 0 1 +45 55 9.135 0 1 +46 56 9.194 0 1 +47 57 9.433 0 1 +48 58 7.849 0 1 +49 59 7.449 0 1 +50 60 5.856 0 1 +51 61 5.607 0 1 +52 62 3.589 0 1 +53 63 4.282 0 1 +54 64 4.487 0 1 +55 65 4.988 0 1 +56 66 4.360 0 1 +57 67 4.164 0 1 +58 68 5.002 0 1 +59 69 5.179 0 1 +60 70 3.681 0 1 +61 71 4.722 0 1 +62 72 5.490 0 1 +63 73 3.632 0 1 +64 74 4.046 0 1 +65 75 6.433 0 1 +66 76 4.474 0 1 +67 77 4.298 0 1 +68 78 1.988 1 0 +69 79 3.238 0 1 +70 80 8.031 0 1 +71 81 10.643 0 1 +72 82 7.804 0 1 +73 83 7.874 0 1 +74 84 8.542 0 1 +75 85 8.475 0 1 +76 86 8.368 0 1 +77 87 7.398 0 1 +78 88 7.530 0 1 +79 89 7.310 0 1 +80 90 7.698 0 1 +81 91 6.011 0 1 +82 92 5.948 0 1 +83 93 4.730 0 1 +84 94 7.545 0 1 +85 95 7.359 0 1 +86 96 7.460 0 1 +87 97 7.115 0 1 +88 98 7.082 0 1 +89 99 7.218 0 1 +90 100 6.905 0 1 +91 101 6.384 0 1 +92 102 6.700 0 1 +93 103 6.663 0 1 +94 104 6.896 0 1 +95 105 6.556 0 1 +96 106 6.930 0 1 +97 107 7.766 0 1 +98 108 8.999 0 1 +99 109 10.376 0 1 +100 110 8.803 0 1 +101 111 8.780 0 1 +102 112 7.459 0 1 +103 113 3.351 0 1 +104 114 3.604 0 1 +105 115 3.800 0 1 +106 116 1.888 1 0 +107 117 8.098 0 1 +108 118 9.998 0 1 +109 119 7.004 0 1 +110 120 2.129 1 0 +111 121 2.389 1 0 +112 122 4.676 0 1 +113 123 3.443 0 1 +114 124 6.865 0 1 +115 125 9.319 0 1 +116 126 5.266 0 1 +117 127 2.907 1 0 +118 128 7.202 0 1 +119 129 7.426 0 1 +120 130 3.922 0 1 +121 131 3.134 0 1 +122 132 5.863 0 1 +123 133 5.989 0 1 +124 134 4.343 0 1 +125 135 3.144 0 1 +126 136 5.499 0 1 +127 137 6.318 0 1 +128 138 4.676 0 1 +129 139 1.595 1 0 +130 140 5.087 0 1 +131 141 7.953 0 1 +132 142 7.688 0 1 +133 143 5.417 0 1 +134 144 2.461 1 0 +135 145 5.970 0 1 +136 146 7.390 0 1 +137 147 5.956 0 1 +138 148 4.252 0 1 +139 149 3.988 0 1 +140 150 4.803 0 1 +141 151 5.502 0 1 +142 152 5.058 0 1 +143 153 5.087 0 1 +144 154 3.926 0 1 +145 155 4.366 0 1 +146 156 3.970 0 1 +147 157 4.287 0 1 +148 158 6.306 0 1 +149 159 7.765 0 1 +150 160 10.219 0 1 +151 161 9.811 0 1 +152 162 12.641 0 1 +153 163 11.043 0 1 +154 164 11.121 0 1 +155 165 11.282 0 1 +156 166 12.424 0 1 +157 167 8.450 0 1 +158 168 11.665 0 1 +159 169 11.275 0 1 +160 170 12.660 0 1 +161 171 14.335 0 1 +162 172 13.067 0 1 +163 173 15.940 0 1 +164 174 20.081 0 1 +165 175 20.773 0 1 +166 176 25.190 0 1 +167 177 27.087 0 1 +168 178 26.533 0 1 +169 179 29.404 0 1 +170 180 31.987 0 1 +171 181 32.996 0 1 +172 182 32.811 0 1 +173 183 29.899 0 1 +174 184 31.138 0 1 +175 185 28.975 0 1 +176 186 32.019 0 1 +177 187 31.273 0 1 +178 188 28.902 0 1 +179 189 28.790 0 1 +180 190 22.687 0 1 +181 191 18.958 0 1 +182 192 17.280 0 1 +183 193 16.248 0 1 +184 194 17.317 0 1 +185 195 17.951 0 1 +186 196 20.958 0 1 +187 197 22.330 0 1 diff --git a/bench/main_benchmark/annotations/SFB_FS_MPT53_1LU4A_3EMXA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_MPT53_1LU4A_3EMXA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..ba333641a767bda636ede749346c68c679bf9357 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_MPT53_1LU4A_3EMXA/state_region_BLIND_proxy.tsv @@ -0,0 +1,136 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq + MSA col variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 1 0 +5 1 0 +6 0 0 +7 1 0 +8 0 0 +9 0 0 +10 0 1 +11 0 0 +12 1 0 +13 0 0 +14 0 0 +15 0 1 +16 0 1 +17 1 0 +18 0 0 +19 0 0 +20 0 0 +21 0 0 +22 1 0 +23 0 0 +24 0 0 +25 0 0 +26 0 0 +27 0 0 +28 1 0 +29 1 0 +30 0 0 +31 1 0 +32 0 0 +33 0 0 +34 0 0 +35 0 0 +36 1 0 +37 0 0 +38 1 0 +39 1 0 +40 0 0 +41 0 0 +42 0 0 +43 0 0 +44 0 0 +45 0 1 +46 1 0 +47 0 1 +48 0 1 +49 1 0 +50 0 0 +51 0 1 +52 0 1 +53 0 0 +54 0 1 +55 0 0 +56 1 0 +57 0 1 +58 1 0 +59 1 0 +60 0 0 +61 1 0 +62 0 0 +63 0 1 +64 0 1 +65 0 0 +66 0 0 +67 1 1 +68 0 1 +69 0 1 +70 0 0 +71 0 1 +72 0 1 +73 1 0 +74 1 0 +75 0 1 +76 0 1 +77 0 1 +78 0 0 +79 1 0 +80 0 1 +81 1 0 +82 0 0 +83 0 1 +84 1 0 +85 0 1 +86 0 0 +87 0 1 +88 0 0 +89 0 0 +90 1 1 +91 1 0 +92 0 1 +93 0 1 +94 0 1 +95 0 0 +96 0 0 +97 1 0 +98 0 1 +99 0 0 +100 0 0 +101 0 0 +102 0 0 +103 1 0 +104 1 0 +105 1 0 +106 0 0 +107 0 0 +108 0 0 +109 1 0 +110 0 0 +111 0 1 +112 0 0 +113 0 1 +114 0 1 +115 1 0 +116 0 1 +117 0 0 +118 0 0 +119 0 1 +120 0 0 +121 0 0 +122 0 0 +123 0 0 +124 0 0 +125 0 0 +126 0 0 +127 1 0 +128 0 0 +129 0 0 +130 0 0 +131 1 0 +132 0 0 +133 0 0 +134 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_MPT53_1LU4A_3EMXA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_MPT53_1LU4A_3EMXA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..2b3a305c84b6e2684a77ca44118d37e6763b6d35 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_MPT53_1LU4A_3EMXA/state_region_FINAL.tsv @@ -0,0 +1,131 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# NOTE: This case uses POSITIONAL (index-based) CA pairing because +# 1LU4 uses residue numbering 1001..1134 while 3EMX uses 224..347. +# residue_index_query reflects the 1-based query position; resnum_state_A +# gives the original 1LU4 residue number. +# common_core: |displacement| < 3.0 A; switch_region_3A: |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1001 27.589 0 1 +2 1002 27.947 0 1 +3 1003 32.482 0 1 +4 1004 29.458 0 1 +5 1005 23.283 0 1 +6 1006 25.094 0 1 +7 1007 22.146 0 1 +8 1008 17.679 0 1 +9 1009 10.852 0 1 +10 1010 5.837 0 1 +11 1011 4.731 0 1 +12 1012 8.578 0 1 +13 1013 12.730 0 1 +14 1014 15.733 0 1 +15 1015 12.824 0 1 +16 1016 9.220 0 1 +17 1017 6.969 0 1 +18 1018 8.754 0 1 +19 1019 13.659 0 1 +20 1020 17.701 0 1 +21 1021 21.515 0 1 +22 1022 23.997 0 1 +23 1023 26.473 0 1 +24 1024 26.356 0 1 +25 1025 25.515 0 1 +26 1026 27.450 0 1 +27 1027 23.489 0 1 +28 1028 18.082 0 1 +29 1029 14.686 0 1 +30 1030 17.200 0 1 +31 1031 13.233 0 1 +32 1032 13.764 0 1 +33 1033 12.103 0 1 +34 1034 13.086 0 1 +35 1035 11.413 0 1 +36 1036 8.705 0 1 +37 1037 8.118 0 1 +38 1038 8.667 0 1 +39 1039 7.573 0 1 +40 1040 8.258 0 1 +41 1041 10.097 0 1 +42 1042 7.994 0 1 +43 1043 6.337 0 1 +44 1044 3.460 0 1 +45 1045 5.450 0 1 +46 1046 5.440 0 1 +47 1047 4.597 0 1 +48 1048 6.185 0 1 +49 1049 6.261 0 1 +50 1050 1.607 1 0 +51 1051 8.245 0 1 +52 1052 11.802 0 1 +53 1053 9.106 0 1 +54 1054 7.912 0 1 +55 1055 11.240 0 1 +56 1056 8.453 0 1 +57 1057 4.331 0 1 +58 1058 8.254 0 1 +59 1059 9.291 0 1 +60 1060 12.239 0 1 +61 1061 9.340 0 1 +62 1062 9.282 0 1 +63 1063 8.913 0 1 +64 1064 9.306 0 1 +65 1065 8.786 0 1 +66 1066 7.525 0 1 +67 1067 7.591 0 1 +68 1068 6.778 0 1 +69 1069 5.420 0 1 +70 1070 9.546 0 1 +71 1071 7.218 0 1 +72 1072 5.582 0 1 +73 1073 12.079 0 1 +74 1074 16.286 0 1 +75 1075 18.068 0 1 +76 1076 16.326 0 1 +77 1077 16.890 0 1 +78 1078 22.157 0 1 +79 1079 20.451 0 1 +80 1080 20.225 0 1 +81 1081 22.340 0 1 +82 1082 22.708 0 1 +83 1083 16.869 0 1 +84 1084 16.264 0 1 +85 1085 17.712 0 1 +86 1086 16.102 0 1 +87 1087 15.401 0 1 +88 1088 18.262 0 1 +89 1089 16.130 0 1 +90 1090 23.062 0 1 +91 1091 21.945 0 1 +92 1092 17.472 0 1 +93 1093 19.571 0 1 +94 1094 18.044 0 1 +95 1095 11.599 0 1 +96 1096 9.474 0 1 +97 1097 3.469 0 1 +98 1098 3.612 0 1 +99 1099 9.377 0 1 +100 1100 15.189 0 1 +101 1101 15.462 0 1 +102 1102 13.803 0 1 +103 1103 14.130 0 1 +104 1104 14.229 0 1 +105 1105 15.531 0 1 +106 1106 17.820 0 1 +107 1107 19.318 0 1 +108 1108 25.021 0 1 +109 1109 26.732 0 1 +110 1110 23.166 0 1 +111 1111 18.616 0 1 +112 1112 13.279 0 1 +113 1113 9.082 0 1 +114 1114 7.552 0 1 +115 1115 4.763 0 1 +116 1116 7.130 0 1 +117 1117 12.441 0 1 +118 1118 14.774 0 1 +119 1119 13.970 0 1 +120 1120 16.896 0 1 +121 1121 18.942 0 1 +122 1122 16.869 0 1 +123 1123 21.177 0 1 +124 1124 24.333 0 1 diff --git a/bench/main_benchmark/annotations/SFB_FS_NTRC2_1NY3A_3DZEA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_NTRC2_1NY3A_3DZEA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..8d7cf96f8ed97f16558ff3218eec6e223a501010 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_NTRC2_1NY3A_3DZEA/state_region_BLIND_proxy.tsv @@ -0,0 +1,281 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 1 0 +4 0 0 +5 0 0 +6 0 0 +7 1 0 +8 0 0 +9 1 0 +10 0 0 +11 0 0 +12 0 0 +13 0 0 +14 1 0 +15 1 0 +16 0 0 +17 0 0 +18 0 0 +19 0 0 +20 1 1 +21 0 1 +22 0 1 +23 0 1 +24 1 1 +25 1 0 +26 0 0 +27 0 1 +28 0 0 +29 0 1 +30 0 0 +31 0 0 +32 0 1 +33 1 0 +34 1 1 +35 0 0 +36 1 0 +37 0 1 +38 0 1 +39 0 0 +40 1 1 +41 0 0 +42 0 0 +43 0 1 +44 0 1 +45 1 0 +46 0 0 +47 1 0 +48 0 0 +49 0 0 +50 1 0 +51 0 1 +52 0 0 +53 1 1 +54 0 1 +55 0 1 +56 0 1 +57 0 1 +58 0 0 +59 0 0 +60 1 0 +61 0 1 +62 1 0 +63 0 0 +64 0 1 +65 0 0 +66 0 1 +67 0 0 +68 0 1 +69 1 0 +70 0 0 +71 0 0 +72 1 0 +73 1 0 +74 0 0 +75 1 0 +76 1 1 +77 0 0 +78 1 0 +79 0 0 +80 0 0 +81 0 0 +82 0 0 +83 0 0 +84 0 0 +85 0 0 +86 0 1 +87 0 1 +88 1 1 +89 1 0 +90 1 0 +91 1 0 +92 1 0 +93 1 0 +94 0 0 +95 1 0 +96 1 0 +97 0 1 +98 0 0 +99 0 0 +100 0 0 +101 1 0 +102 0 0 +103 0 0 +104 0 0 +105 1 0 +106 0 1 +107 0 1 +108 0 0 +109 0 0 +110 0 1 +111 0 0 +112 0 0 +113 0 0 +114 0 1 +115 1 0 +116 1 0 +117 0 1 +118 0 0 +119 1 0 +120 0 0 +121 0 1 +122 0 0 +123 1 0 +124 0 1 +125 0 0 +126 1 0 +127 0 0 +128 0 1 +129 1 1 +130 0 0 +131 1 0 +132 0 0 +133 0 0 +134 0 0 +135 0 0 +136 1 0 +137 0 0 +138 0 0 +139 0 0 +140 0 0 +141 1 0 +142 1 0 +143 0 0 +144 0 1 +145 0 0 +146 0 1 +147 0 1 +148 0 1 +149 0 0 +150 0 0 +151 0 1 +152 1 0 +153 0 0 +154 1 0 +155 0 0 +156 0 0 +157 0 0 +158 0 0 +159 0 0 +160 0 0 +161 0 0 +162 0 0 +163 0 1 +164 0 0 +165 0 0 +166 0 0 +167 0 0 +168 0 1 +169 0 0 +170 1 0 +171 0 0 +172 0 0 +173 0 0 +174 1 0 +175 0 0 +176 0 1 +177 0 0 +178 0 1 +179 0 1 +180 0 0 +181 0 0 +182 0 1 +183 0 0 +184 1 0 +185 0 0 +186 1 0 +187 0 0 +188 0 0 +189 1 0 +190 0 0 +191 1 0 +192 1 0 +193 1 0 +194 0 0 +195 1 0 +196 1 0 +197 1 0 +198 1 0 +199 0 0 +200 0 1 +201 0 0 +202 0 0 +203 1 0 +204 0 1 +205 0 0 +206 0 1 +207 0 1 +208 0 1 +209 0 1 +210 0 1 +211 1 0 +212 0 1 +213 0 1 +214 0 0 +215 0 0 +216 0 1 +217 0 1 +218 1 0 +219 0 0 +220 0 1 +221 0 0 +222 0 1 +223 0 0 +224 0 1 +225 0 1 +226 1 0 +227 0 0 +228 0 1 +229 0 0 +230 1 0 +231 0 0 +232 0 0 +233 1 0 +234 1 0 +235 0 1 +236 0 0 +237 1 0 +238 1 0 +239 0 1 +240 0 0 +241 0 0 +242 0 0 +243 0 1 +244 0 0 +245 0 0 +246 0 0 +247 0 0 +248 1 0 +249 0 1 +250 0 0 +251 1 0 +252 0 0 +253 0 1 +254 0 0 +255 0 0 +256 0 0 +257 1 0 +258 0 0 +259 0 0 +260 0 0 +261 0 0 +262 0 0 +263 0 0 +264 0 0 +265 0 0 +266 0 0 +267 0 0 +268 0 0 +269 0 0 +270 0 0 +271 0 0 +272 0 0 +273 0 0 +274 0 0 +275 0 0 +276 0 0 +277 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_NTRC2_1NY3A_3DZEA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_NTRC2_1NY3A_3DZEA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..8f15afeb81e048455685ddc2438dad8e335ed722 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_NTRC2_1NY3A_3DZEA/state_region_FINAL.tsv @@ -0,0 +1,128 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 46 23.965 0 1 +2 47 22.274 0 1 +3 48 21.765 0 1 +4 49 21.928 0 1 +5 50 20.081 0 1 +6 51 15.374 0 1 +7 52 13.129 0 1 +8 53 11.739 0 1 +9 54 13.574 0 1 +10 55 11.672 0 1 +11 56 12.857 0 1 +12 57 9.203 0 1 +13 58 7.235 0 1 +14 59 8.412 0 1 +15 60 7.192 0 1 +16 61 6.810 0 1 +17 62 6.359 0 1 +18 63 8.861 0 1 +19 64 14.333 0 1 +20 65 14.706 0 1 +21 66 20.566 0 1 +22 67 21.707 0 1 +23 68 24.911 0 1 +24 69 23.917 0 1 +25 70 19.897 0 1 +26 71 17.651 0 1 +27 72 12.139 0 1 +28 73 6.473 0 1 +29 74 3.174 0 1 +30 75 4.486 0 1 +31 76 4.370 0 1 +32 77 3.842 0 1 +33 78 4.301 0 1 +34 79 5.198 0 1 +35 80 4.735 0 1 +36 81 5.210 0 1 +37 82 6.195 0 1 +38 83 6.263 0 1 +39 84 7.206 0 1 +40 85 8.724 0 1 +41 86 10.179 0 1 +42 87 11.150 0 1 +43 88 11.495 0 1 +44 89 12.354 0 1 +45 90 12.701 0 1 +46 91 12.159 0 1 +47 92 15.405 0 1 +48 93 14.534 0 1 +49 94 11.809 0 1 +50 95 11.329 0 1 +51 96 10.957 0 1 +52 97 14.458 0 1 +53 98 18.234 0 1 +54 99 22.281 0 1 +55 100 19.554 0 1 +56 101 14.633 0 1 +57 102 18.677 0 1 +58 103 22.287 0 1 +59 104 18.432 0 1 +60 105 15.939 0 1 +61 106 21.663 0 1 +62 107 24.154 0 1 +63 108 20.180 0 1 +64 109 22.782 0 1 +65 110 24.236 0 1 +66 111 19.388 0 1 +67 112 17.631 0 1 +68 113 20.479 0 1 +69 114 17.659 0 1 +70 115 12.342 0 1 +71 116 9.655 0 1 +72 117 5.956 0 1 +73 118 0.422 1 0 +74 119 5.704 0 1 +75 120 10.427 0 1 +76 121 16.232 0 1 +77 122 19.644 0 1 +78 123 18.221 0 1 +79 124 23.988 0 1 +80 125 24.804 0 1 +81 126 26.819 0 1 +82 127 31.671 0 1 +83 128 32.124 0 1 +84 129 32.045 0 1 +85 130 31.247 0 1 +86 131 30.073 0 1 +87 132 31.795 0 1 +88 133 25.709 0 1 +89 134 22.146 0 1 +90 135 23.085 0 1 +91 136 19.159 0 1 +92 137 14.431 0 1 +93 138 14.146 0 1 +94 139 9.268 0 1 +95 140 7.322 0 1 +96 141 8.810 0 1 +97 142 12.378 0 1 +98 143 11.872 0 1 +99 144 15.531 0 1 +100 145 13.611 0 1 +101 146 15.796 0 1 +102 147 19.862 0 1 +103 148 19.741 0 1 +104 149 22.597 0 1 +105 150 19.891 0 1 +106 151 18.609 0 1 +107 152 21.566 0 1 +108 159 7.908 0 1 +109 160 10.683 0 1 +110 161 11.782 0 1 +111 162 5.127 0 1 +112 163 8.300 0 1 +113 164 13.661 0 1 +114 165 10.854 0 1 +115 166 8.718 0 1 +116 167 13.932 0 1 +117 168 10.761 0 1 +118 169 5.875 0 1 +119 170 5.077 0 1 +120 171 5.103 0 1 +121 172 3.039 0 1 +122 173 4.830 0 1 +123 174 4.286 0 1 +124 175 9.170 0 1 diff --git a/bench/main_benchmark/annotations/SFB_FS_NUSG_2K06A_2LQ8A/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_NUSG_2K06A_2LQ8A/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..984be6461169aee0d39b15fb282f622486d8cc68 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_NUSG_2K06A_2LQ8A/state_region_BLIND_proxy.tsv @@ -0,0 +1,127 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 1 0 +4 0 0 +5 0 0 +6 0 0 +7 0 1 +8 0 1 +9 0 0 +10 0 0 +11 1 0 +12 1 0 +13 0 0 +14 0 0 +15 0 0 +16 0 0 +17 0 0 +18 1 1 +19 0 0 +20 0 0 +21 0 0 +22 1 0 +23 0 0 +24 0 1 +25 0 1 +26 1 0 +27 0 0 +28 0 1 +29 0 0 +30 1 0 +31 1 1 +32 0 1 +33 0 1 +34 0 0 +35 0 0 +36 0 1 +37 0 0 +38 1 1 +39 1 0 +40 0 1 +41 0 0 +42 1 0 +43 0 0 +44 1 0 +45 0 0 +46 0 0 +47 0 0 +48 0 0 +49 0 0 +50 0 0 +51 1 0 +52 0 1 +53 1 0 +54 0 1 +55 0 0 +56 0 0 +57 0 0 +58 0 0 +59 1 1 +60 0 1 +61 1 0 +62 0 0 +63 0 0 +64 0 1 +65 0 0 +66 0 0 +67 0 0 +68 0 0 +69 1 0 +70 1 0 +71 1 0 +72 0 0 +73 1 0 +74 1 1 +75 0 0 +76 0 0 +77 0 0 +78 0 0 +79 0 0 +80 0 0 +81 0 1 +82 1 0 +83 1 0 +84 0 0 +85 0 0 +86 1 0 +87 0 0 +88 0 0 +89 1 0 +90 0 0 +91 0 0 +92 1 0 +93 1 0 +94 0 0 +95 0 1 +96 0 1 +97 0 0 +98 0 1 +99 0 0 +100 0 0 +101 0 1 +102 0 0 +103 1 0 +104 0 0 +105 0 1 +106 0 1 +107 0 0 +108 1 0 +109 0 1 +110 0 1 +111 1 0 +112 0 0 +113 0 1 +114 0 1 +115 1 1 +116 0 1 +117 0 0 +118 0 0 +119 0 0 +120 0 0 +121 0 0 +122 0 0 +123 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_NUSG_2K06A_2LQ8A/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_NUSG_2K06A_2LQ8A/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..b51ec0ed460c3e8e9b5b3f7b7c1bae8d127d57d1 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_NUSG_2K06A_2LQ8A/state_region_FINAL.tsv @@ -0,0 +1,127 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 6.692 0 1 +2 2 8.807 0 1 +3 3 7.673 0 1 +4 4 5.837 0 1 +5 5 6.151 0 1 +6 6 5.254 0 1 +7 7 4.816 0 1 +8 8 3.621 0 1 +9 9 4.102 0 1 +10 10 3.896 0 1 +11 11 4.722 0 1 +12 12 4.070 0 1 +13 13 3.661 0 1 +14 14 2.989 1 0 +15 15 1.362 1 0 +16 16 7.033 0 1 +17 17 8.800 0 1 +18 18 4.882 0 1 +19 19 6.760 0 1 +20 20 8.928 0 1 +21 21 6.666 0 1 +22 22 5.432 0 1 +23 23 7.425 0 1 +24 24 7.396 0 1 +25 25 5.674 0 1 +26 26 6.483 0 1 +27 27 7.055 0 1 +28 28 6.372 0 1 +29 29 6.151 0 1 +30 30 8.087 0 1 +31 31 7.025 0 1 +32 32 5.050 0 1 +33 33 4.639 0 1 +34 34 3.544 0 1 +35 35 5.780 0 1 +36 36 5.052 0 1 +37 37 3.513 0 1 +38 38 5.276 0 1 +39 39 5.059 0 1 +40 40 6.007 0 1 +41 41 5.019 0 1 +42 42 5.338 0 1 +43 43 4.970 0 1 +44 44 4.114 0 1 +45 45 3.220 0 1 +46 46 5.625 0 1 +47 47 8.337 0 1 +48 48 10.470 0 1 +49 49 11.390 0 1 +50 50 7.886 0 1 +51 51 7.126 0 1 +52 52 13.554 0 1 +53 53 13.297 0 1 +54 54 15.452 0 1 +55 55 16.229 0 1 +56 56 22.898 0 1 +57 57 23.738 0 1 +58 58 25.433 0 1 +59 59 26.520 0 1 +60 60 26.109 0 1 +61 61 24.606 0 1 +62 62 24.683 0 1 +63 63 25.088 0 1 +64 64 25.741 0 1 +65 65 26.995 0 1 +66 66 27.109 0 1 +67 67 27.372 0 1 +68 68 25.844 0 1 +69 69 22.953 0 1 +70 70 17.426 0 1 +71 71 13.939 0 1 +72 72 15.868 0 1 +73 73 11.203 0 1 +74 74 8.216 0 1 +75 75 7.413 0 1 +76 76 8.894 0 1 +77 77 9.165 0 1 +78 78 10.807 0 1 +79 79 11.600 0 1 +80 80 6.778 0 1 +81 81 8.675 0 1 +82 82 9.451 0 1 +83 83 8.807 0 1 +84 84 13.644 0 1 +85 85 19.538 0 1 +86 86 23.058 0 1 +87 87 25.688 0 1 +88 88 23.883 0 1 +89 89 18.464 0 1 +90 90 16.900 0 1 +91 91 16.453 0 1 +92 92 14.488 0 1 +93 93 13.477 0 1 +94 94 15.731 0 1 +95 95 21.137 0 1 +96 96 24.816 0 1 +97 97 22.721 0 1 +98 98 23.528 0 1 +99 99 24.390 0 1 +100 100 20.753 0 1 +101 101 18.179 0 1 +102 102 17.314 0 1 +103 103 17.936 0 1 +104 104 17.442 0 1 +105 105 13.966 0 1 +106 106 16.188 0 1 +107 107 15.842 0 1 +108 108 13.735 0 1 +109 109 13.416 0 1 +110 110 15.997 0 1 +111 111 19.666 0 1 +112 112 17.272 0 1 +113 113 14.897 0 1 +114 114 20.488 0 1 +115 115 20.570 0 1 +116 116 16.472 0 1 +117 117 15.930 0 1 +118 118 13.932 0 1 +119 119 13.150 0 1 +120 120 12.344 0 1 +121 121 12.261 0 1 +122 122 14.897 0 1 +123 123 9.458 0 1 diff --git a/bench/main_benchmark/annotations/SFB_FS_P13_2I4ZA_4M1EA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_P13_2I4ZA_4M1EA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..baf4f96845b273376f55672f8fceaf9958724ec6 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_P13_2I4ZA_4M1EA/state_region_BLIND_proxy.tsv @@ -0,0 +1,274 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 1 0 +6 0 0 +7 0 1 +8 1 0 +9 0 0 +10 0 0 +11 0 1 +12 1 0 +13 0 0 +14 0 1 +15 0 0 +16 0 0 +17 0 0 +18 0 0 +19 0 0 +20 0 0 +21 0 0 +22 0 0 +23 0 0 +24 0 0 +25 0 1 +26 0 0 +27 0 0 +28 0 0 +29 0 1 +30 1 0 +31 0 0 +32 0 0 +33 0 0 +34 0 0 +35 0 0 +36 0 0 +37 0 0 +38 0 1 +39 0 1 +40 0 0 +41 0 0 +42 0 0 +43 1 0 +44 0 0 +45 0 0 +46 0 0 +47 0 1 +48 0 0 +49 0 0 +50 0 1 +51 0 1 +52 0 0 +53 0 0 +54 0 1 +55 0 1 +56 1 0 +57 0 1 +58 0 1 +59 0 1 +60 0 1 +61 1 1 +62 0 1 +63 0 1 +64 0 1 +65 0 1 +66 0 1 +67 0 1 +68 0 1 +69 0 1 +70 0 0 +71 1 1 +72 0 1 +73 1 1 +74 0 1 +75 1 1 +76 0 0 +77 0 1 +78 0 1 +79 1 0 +80 0 0 +81 0 1 +82 0 1 +83 0 0 +84 1 0 +85 0 0 +86 0 0 +87 1 0 +88 0 0 +89 0 0 +90 1 0 +91 0 0 +92 0 0 +93 0 0 +94 0 0 +95 0 0 +96 0 1 +97 1 0 +98 0 0 +99 0 0 +100 1 0 +101 0 1 +102 0 1 +103 1 0 +104 0 0 +105 1 0 +106 0 0 +107 0 0 +108 0 0 +109 1 0 +110 0 0 +111 1 0 +112 1 0 +113 0 0 +114 0 0 +115 0 0 +116 1 0 +117 0 1 +118 0 0 +119 1 0 +120 1 0 +121 0 0 +122 0 1 +123 0 0 +124 1 0 +125 0 0 +126 0 0 +127 1 1 +128 0 0 +129 0 0 +130 0 0 +131 0 0 +132 0 0 +133 1 1 +134 1 0 +135 1 0 +136 0 0 +137 0 1 +138 0 0 +139 0 1 +140 0 0 +141 0 0 +142 0 1 +143 0 0 +144 0 0 +145 0 0 +146 0 0 +147 1 0 +148 0 0 +149 0 0 +150 1 0 +151 0 0 +152 0 1 +153 0 0 +154 0 0 +155 0 1 +156 0 0 +157 0 1 +158 0 0 +159 0 0 +160 0 0 +161 0 0 +162 1 0 +163 0 0 +164 1 0 +165 0 0 +166 1 1 +167 0 0 +168 1 0 +169 0 0 +170 0 1 +171 1 0 +172 0 0 +173 1 0 +174 0 0 +175 0 0 +176 0 0 +177 0 0 +178 1 0 +179 0 0 +180 1 0 +181 1 0 +182 1 1 +183 0 0 +184 1 0 +185 1 0 +186 1 0 +187 1 0 +188 0 0 +189 0 0 +190 0 0 +191 0 0 +192 0 0 +193 0 0 +194 0 0 +195 0 1 +196 0 0 +197 1 0 +198 0 1 +199 0 1 +200 1 0 +201 0 0 +202 0 1 +203 1 0 +204 0 0 +205 0 0 +206 0 1 +207 1 0 +208 1 0 +209 0 1 +210 0 0 +211 1 0 +212 0 1 +213 1 0 +214 0 0 +215 1 0 +216 0 1 +217 1 1 +218 0 0 +219 0 0 +220 0 0 +221 0 0 +222 0 1 +223 0 1 +224 0 1 +225 1 0 +226 0 0 +227 0 0 +228 0 0 +229 1 0 +230 1 0 +231 0 0 +232 0 0 +233 0 0 +234 0 0 +235 0 0 +236 1 0 +237 0 0 +238 0 0 +239 1 0 +240 1 0 +241 0 0 +242 0 0 +243 0 0 +244 1 0 +245 0 1 +246 1 0 +247 1 0 +248 0 0 +249 1 1 +250 1 0 +251 0 0 +252 0 1 +253 0 0 +254 0 0 +255 0 1 +256 0 0 +257 0 1 +258 0 1 +259 1 0 +260 0 0 +261 0 0 +262 0 0 +263 1 0 +264 0 0 +265 0 0 +266 1 0 +267 0 0 +268 0 0 +269 0 0 +270 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_P13_2I4ZA_4M1EA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_P13_2I4ZA_4M1EA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..cb3cc9b9d14d24ba286b9307e86f2ffca579bf68 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_P13_2I4ZA_4M1EA/state_region_FINAL.tsv @@ -0,0 +1,71 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 207 37.512 0 1 +2 208 37.141 0 1 +3 209 36.367 0 1 +4 210 35.109 0 1 +5 211 31.408 0 1 +7 213 27.233 0 1 +8 214 23.293 0 1 +9 215 17.244 0 1 +10 216 15.888 0 1 +11 217 16.621 0 1 +12 218 12.315 0 1 +13 219 6.773 0 1 +14 220 9.401 0 1 +15 221 7.026 0 1 +16 222 2.338 1 0 +17 223 5.664 0 1 +18 224 7.046 0 1 +19 225 3.878 0 1 +20 226 5.506 0 1 +21 227 5.877 0 1 +22 228 6.191 0 1 +23 229 10.098 0 1 +24 230 11.082 0 1 +25 231 13.553 0 1 +26 232 9.680 0 1 +27 233 11.377 0 1 +28 234 13.042 0 1 +29 235 14.319 0 1 +30 236 11.221 0 1 +31 237 10.450 0 1 +32 238 8.310 0 1 +33 239 8.515 0 1 +34 240 8.805 0 1 +35 241 14.071 0 1 +36 242 14.729 0 1 +37 243 18.131 0 1 +38 244 19.311 0 1 +39 245 16.816 0 1 +40 246 13.895 0 1 +41 247 13.897 0 1 +42 248 9.030 0 1 +43 249 7.385 0 1 +44 250 3.799 0 1 +45 251 6.690 0 1 +46 252 6.980 0 1 +47 253 4.732 0 1 +48 254 3.423 0 1 +49 255 5.215 0 1 +50 256 4.666 0 1 +51 257 2.268 1 0 +52 258 2.738 1 0 +53 259 3.955 0 1 +54 260 4.429 0 1 +55 261 4.201 0 1 +56 262 3.575 0 1 +57 263 3.236 0 1 +58 264 5.697 0 1 +59 265 8.138 0 1 +60 266 10.574 0 1 +61 267 13.034 0 1 +62 268 16.534 0 1 +63 269 22.144 0 1 +64 270 25.627 0 1 +65 271 26.564 0 1 +66 272 32.240 0 1 +67 273 33.527 0 1 +68 274 29.824 0 1 diff --git a/bench/main_benchmark/annotations/SFB_FS_RFAH_5ONDA_6C6SD/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_RFAH_5ONDA_6C6SD/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..3355263a602f1df4c629e45652a81fc0c06c593d --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_RFAH_5ONDA_6C6SD/state_region_BLIND_proxy.tsv @@ -0,0 +1,139 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 1 0 +7 1 0 +8 0 0 +9 1 0 +10 0 0 +11 0 0 +12 0 0 +13 0 0 +14 1 0 +15 0 1 +16 0 0 +17 0 0 +18 0 1 +19 0 1 +20 0 0 +21 1 0 +22 0 1 +23 0 0 +24 0 0 +25 0 0 +26 1 0 +27 0 0 +28 1 0 +29 1 0 +30 0 0 +31 0 0 +32 0 1 +33 1 1 +34 0 1 +35 0 1 +36 0 1 +37 0 0 +38 0 1 +39 0 1 +40 0 0 +41 0 0 +42 0 0 +43 0 1 +44 0 1 +45 0 1 +46 0 0 +47 0 1 +48 0 0 +49 0 0 +50 1 0 +51 1 0 +52 0 0 +53 0 0 +54 0 0 +55 1 0 +56 1 0 +57 1 0 +58 0 0 +59 1 0 +60 0 0 +61 0 1 +62 0 1 +63 0 1 +64 1 1 +65 0 1 +66 0 0 +67 0 1 +68 0 1 +69 1 0 +70 0 0 +71 0 0 +72 0 0 +73 0 0 +74 0 0 +75 1 0 +76 0 1 +77 0 1 +78 1 0 +79 1 0 +80 0 0 +81 0 0 +82 0 0 +83 0 0 +84 0 1 +85 0 0 +86 0 0 +87 1 0 +88 1 0 +89 0 0 +90 0 0 +91 0 1 +92 1 0 +93 1 0 +94 0 0 +95 0 1 +96 1 0 +97 0 0 +98 1 0 +99 0 1 +100 0 0 +101 0 0 +102 0 0 +103 1 0 +104 0 0 +105 0 0 +106 0 0 +107 0 0 +108 0 0 +109 1 0 +110 0 0 +111 0 1 +112 0 0 +113 0 1 +114 0 0 +115 0 0 +116 0 1 +117 0 1 +118 1 0 +119 0 0 +120 0 1 +121 1 0 +122 0 0 +123 1 0 +124 0 0 +125 1 0 +126 0 0 +127 0 0 +128 0 0 +129 0 1 +130 1 0 +131 0 0 +132 0 0 +133 0 0 +134 1 0 +135 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_RFAH_5ONDA_6C6SD/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_RFAH_5ONDA_6C6SD/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..61fea23b2dbdccf8e4534d442a847ac49f3838d2 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_RFAH_5ONDA_6C6SD/state_region_FINAL.tsv @@ -0,0 +1,138 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +2 2 1.263 1 0 +3 3 0.728 1 0 +4 4 0.713 1 0 +5 5 0.639 1 0 +6 6 0.691 1 0 +7 7 0.443 1 0 +8 8 0.861 1 0 +9 9 0.902 1 0 +10 10 0.956 1 0 +11 11 1.597 1 0 +12 12 1.436 1 0 +13 13 1.178 1 0 +14 14 0.917 1 0 +15 15 0.521 1 0 +16 16 0.634 1 0 +17 17 0.426 1 0 +18 18 0.444 1 0 +19 19 0.828 1 0 +20 20 0.771 1 0 +21 21 0.960 1 0 +22 22 1.332 1 0 +23 23 1.040 1 0 +24 24 1.187 1 0 +25 25 0.422 1 0 +26 26 0.173 1 0 +27 27 0.332 1 0 +28 28 0.595 1 0 +29 29 0.799 1 0 +30 30 1.019 1 0 +31 31 0.604 1 0 +32 32 2.147 1 0 +33 33 3.769 0 1 +34 34 5.987 0 1 +35 35 7.603 0 1 +36 36 9.387 0 1 +37 37 9.590 0 1 +38 38 10.998 0 1 +39 39 11.585 0 1 +40 40 13.223 0 1 +41 41 14.300 0 1 +42 42 14.745 0 1 +43 43 13.011 0 1 +44 44 12.214 0 1 +45 45 9.015 0 1 +46 46 7.843 0 1 +47 47 5.403 0 1 +48 48 4.060 0 1 +49 49 1.596 1 0 +50 50 2.105 1 0 +51 51 1.279 1 0 +52 52 1.091 1 0 +53 53 0.906 1 0 +54 54 0.911 1 0 +55 55 0.795 1 0 +56 56 0.353 1 0 +57 57 0.553 1 0 +58 58 0.579 1 0 +59 59 0.691 1 0 +60 60 1.062 1 0 +61 61 1.087 1 0 +62 62 1.149 1 0 +63 63 0.780 1 0 +64 64 0.637 1 0 +65 65 0.448 1 0 +66 66 0.230 1 0 +67 67 0.428 1 0 +68 68 0.432 1 0 +69 69 0.261 1 0 +70 70 0.464 1 0 +71 71 0.428 1 0 +72 72 0.446 1 0 +73 73 0.355 1 0 +74 74 0.281 1 0 +75 75 0.422 1 0 +76 76 0.322 1 0 +77 77 0.389 1 0 +78 78 0.516 1 0 +79 79 0.798 1 0 +80 80 1.054 1 0 +81 81 3.453 0 1 +82 82 2.019 1 0 +83 83 1.347 1 0 +84 84 1.211 1 0 +85 85 0.692 1 0 +86 86 0.426 1 0 +87 87 1.211 1 0 +88 88 1.098 1 0 +89 89 0.762 1 0 +90 90 0.845 1 0 +91 91 0.798 1 0 +92 92 0.593 1 0 +93 93 0.388 1 0 +94 94 0.339 1 0 +95 95 0.324 1 0 +96 96 0.852 1 0 +97 97 1.702 1 0 +98 118 47.481 0 1 +99 119 47.519 0 1 +100 120 50.130 0 1 +101 121 51.049 0 1 +102 122 52.059 0 1 +103 123 48.937 0 1 +104 124 44.931 0 1 +105 125 41.267 0 1 +106 126 40.104 0 1 +107 127 36.030 0 1 +108 128 33.292 0 1 +109 129 31.098 0 1 +110 130 28.241 0 1 +111 131 28.302 0 1 +112 132 27.687 0 1 +113 133 23.189 0 1 +114 134 26.708 0 1 +115 135 25.564 0 1 +116 136 25.742 0 1 +117 137 29.484 0 1 +118 138 29.972 0 1 +119 139 31.726 0 1 +120 140 36.293 0 1 +121 141 36.527 0 1 +122 142 40.125 0 1 +123 143 42.677 0 1 +124 144 44.753 0 1 +125 145 49.160 0 1 +126 146 53.441 0 1 +127 147 57.204 0 1 +128 148 56.771 0 1 +129 149 55.135 0 1 +130 150 57.691 0 1 +131 151 57.336 0 1 +132 152 57.337 0 1 +133 153 57.510 0 1 +134 154 57.861 0 1 +135 155 58.805 0 1 diff --git a/bench/main_benchmark/annotations/SFB_FS_SELECASE_4QHFA_4QHGA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_SELECASE_4QHFA_4QHGA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..8d7c4a97600e268d15429fb84aee139926c55591 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_SELECASE_4QHFA_4QHGA/state_region_BLIND_proxy.tsv @@ -0,0 +1,113 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 0 0 +7 1 0 +8 0 1 +9 0 0 +10 1 0 +11 1 0 +12 0 1 +13 0 1 +14 0 1 +15 1 0 +16 0 1 +17 0 0 +18 1 0 +19 0 0 +20 1 0 +21 0 1 +22 0 1 +23 0 0 +24 0 0 +25 0 0 +26 0 0 +27 1 0 +28 0 0 +29 1 0 +30 0 1 +31 1 0 +32 0 0 +33 0 0 +34 0 0 +35 0 0 +36 0 0 +37 0 0 +38 1 0 +39 0 0 +40 0 0 +41 1 0 +42 0 0 +43 0 1 +44 0 1 +45 0 1 +46 0 0 +47 0 0 +48 1 0 +49 0 1 +50 1 0 +51 0 0 +52 0 1 +53 0 1 +54 1 0 +55 1 0 +56 0 1 +57 0 0 +58 1 0 +59 0 0 +60 0 1 +61 0 0 +62 0 0 +63 1 0 +64 0 0 +65 1 0 +66 1 0 +67 1 0 +68 0 0 +69 0 0 +70 0 0 +71 1 0 +72 1 1 +73 0 0 +74 1 0 +75 0 0 +76 0 1 +77 0 1 +78 0 1 +79 0 0 +80 0 0 +81 1 1 +82 0 0 +83 0 1 +84 0 0 +85 0 1 +86 0 1 +87 0 1 +88 1 0 +89 0 1 +90 0 1 +91 0 0 +92 0 1 +93 0 0 +94 0 0 +95 0 0 +96 0 0 +97 0 0 +98 0 0 +99 0 0 +100 1 0 +101 0 0 +102 1 0 +103 1 0 +104 0 0 +105 0 0 +106 0 0 +107 0 0 +108 0 0 +109 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_SELECASE_4QHFA_4QHGA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_SELECASE_4QHFA_4QHGA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..0d5135bd4fa413a9e60ba009c698041ebfef3dad --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_SELECASE_4QHFA_4QHGA/state_region_FINAL.tsv @@ -0,0 +1,111 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +3 3 0.910 1 0 +4 4 1.267 1 0 +5 5 1.756 1 0 +6 6 1.140 1 0 +7 7 0.624 1 0 +8 8 1.352 1 0 +9 9 1.421 1 0 +10 10 0.778 1 0 +11 11 0.436 1 0 +12 12 0.928 1 0 +13 13 0.981 1 0 +14 14 0.708 1 0 +15 15 0.542 1 0 +16 16 0.633 1 0 +17 17 0.814 1 0 +18 18 0.567 1 0 +19 19 0.366 1 0 +20 20 0.273 1 0 +21 21 0.715 1 0 +22 22 2.384 1 0 +23 23 4.628 0 1 +24 24 5.400 0 1 +25 25 4.375 0 1 +26 26 1.393 1 0 +27 27 0.384 1 0 +28 28 0.699 1 0 +29 29 0.319 1 0 +30 30 0.302 1 0 +31 31 0.210 1 0 +32 32 0.251 1 0 +33 33 0.099 1 0 +34 34 0.266 1 0 +35 35 0.718 1 0 +36 36 0.739 1 0 +37 37 0.399 1 0 +38 38 0.376 1 0 +39 39 0.458 1 0 +40 40 0.449 1 0 +41 41 0.429 1 0 +42 42 0.578 1 0 +43 43 0.732 1 0 +44 44 0.513 1 0 +45 45 0.321 1 0 +46 46 0.103 1 0 +47 47 0.131 1 0 +48 48 0.139 1 0 +49 49 0.133 1 0 +50 50 0.185 1 0 +51 51 0.279 1 0 +52 52 0.335 1 0 +53 53 0.495 1 0 +54 54 0.303 1 0 +55 55 0.412 1 0 +56 56 0.478 1 0 +57 57 0.701 1 0 +58 58 0.462 1 0 +59 59 0.252 1 0 +60 60 0.613 1 0 +61 61 0.477 1 0 +62 62 0.083 1 0 +63 63 0.290 1 0 +64 64 0.332 1 0 +65 65 0.375 1 0 +66 66 0.363 1 0 +67 67 0.376 1 0 +68 68 0.421 1 0 +69 69 0.396 1 0 +70 70 0.412 1 0 +71 71 0.446 1 0 +72 72 0.709 1 0 +73 73 1.001 1 0 +74 74 1.572 1 0 +75 75 1.297 1 0 +76 76 1.127 1 0 +77 77 2.382 1 0 +78 78 5.001 0 1 +79 79 6.914 0 1 +80 80 6.995 0 1 +81 81 0.464 1 0 +82 82 0.248 1 0 +83 83 0.368 1 0 +84 84 0.423 1 0 +85 85 0.487 1 0 +86 86 0.597 1 0 +87 87 0.361 1 0 +88 88 0.376 1 0 +89 89 0.467 1 0 +90 90 0.605 1 0 +91 91 0.507 1 0 +92 92 0.656 1 0 +93 93 1.836 1 0 +94 94 1.694 1 0 +95 95 1.334 1 0 +96 96 2.080 1 0 +97 97 1.859 1 0 +98 98 0.801 1 0 +99 99 1.021 1 0 +100 100 1.340 1 0 +101 101 1.432 1 0 +102 102 1.423 1 0 +103 103 1.234 1 0 +104 104 1.085 1 0 +105 105 2.800 1 0 +106 106 3.246 0 1 +107 107 1.700 1 0 +108 108 5.201 0 1 +109 109 2.298 1 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_XCL1_1J8IA_2JP1A/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_FS_XCL1_1J8IA_2JP1A/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..ad526425c77627949826dd20dcb1d4dabe26c1b4 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_XCL1_1J8IA_2JP1A/state_region_BLIND_proxy.tsv @@ -0,0 +1,97 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 0 1 +7 0 1 +8 0 1 +9 0 0 +10 0 0 +11 1 0 +12 1 0 +13 0 0 +14 1 0 +15 0 0 +16 0 1 +17 0 0 +18 0 0 +19 1 0 +20 0 0 +21 1 1 +22 0 1 +23 0 1 +24 1 0 +25 0 0 +26 0 0 +27 0 0 +28 0 0 +29 1 0 +30 0 0 +31 0 1 +32 0 0 +33 0 0 +34 1 0 +35 0 1 +36 0 0 +37 1 0 +38 1 0 +39 1 0 +40 1 0 +41 0 0 +42 0 0 +43 0 0 +44 0 0 +45 1 0 +46 0 0 +47 1 0 +48 1 0 +49 0 0 +50 0 0 +51 0 0 +52 0 1 +53 0 1 +54 0 1 +55 0 0 +56 1 0 +57 0 0 +58 0 1 +59 1 0 +60 1 0 +61 1 0 +62 0 1 +63 1 0 +64 0 0 +65 0 1 +66 0 0 +67 0 1 +68 1 1 +69 0 1 +70 0 1 +71 0 1 +72 0 1 +73 0 1 +74 0 1 +75 0 1 +76 0 0 +77 0 0 +78 0 0 +79 1 0 +80 0 0 +81 0 0 +82 0 0 +83 0 0 +84 0 0 +85 0 0 +86 0 0 +87 0 0 +88 0 0 +89 1 0 +90 0 0 +91 1 0 +92 0 0 +93 0 0 diff --git a/bench/main_benchmark/annotations/SFB_FS_XCL1_1J8IA_2JP1A/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_FS_XCL1_1J8IA_2JP1A/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..426e6bc9b574932f8f7e60dc6e8449e65ee2be07 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_FS_XCL1_1J8IA_2JP1A/state_region_FINAL.tsv @@ -0,0 +1,64 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 10.900 0 1 +2 2 7.104 0 1 +3 3 6.989 0 1 +4 4 10.552 0 1 +5 5 9.808 0 1 +6 6 13.309 0 1 +7 7 15.566 0 1 +8 8 14.733 0 1 +9 9 12.253 0 1 +10 10 6.818 0 1 +11 11 1.818 1 0 +12 12 4.967 0 1 +13 13 11.208 0 1 +14 14 16.291 0 1 +15 15 18.523 0 1 +16 16 22.886 0 1 +17 17 22.913 0 1 +18 18 20.993 0 1 +19 19 17.436 0 1 +20 20 13.675 0 1 +21 21 9.198 0 1 +22 22 4.294 0 1 +23 23 3.985 0 1 +24 24 1.467 1 0 +25 25 3.970 0 1 +26 26 5.469 0 1 +27 27 2.344 1 0 +28 28 3.949 0 1 +29 29 1.934 1 0 +30 30 2.640 1 0 +31 31 2.413 1 0 +32 32 2.922 1 0 +33 33 3.468 0 1 +34 34 2.030 1 0 +35 35 1.815 1 0 +36 36 3.219 0 1 +37 37 2.179 1 0 +38 38 2.133 1 0 +39 39 1.456 1 0 +40 40 2.172 1 0 +41 41 1.148 1 0 +42 42 1.979 1 0 +43 43 1.062 1 0 +44 44 0.400 1 0 +45 45 3.417 0 1 +46 46 0.806 1 0 +47 47 2.866 1 0 +48 48 1.484 1 0 +49 49 6.242 0 1 +50 50 5.284 0 1 +51 51 10.399 0 1 +52 52 11.205 0 1 +53 53 11.512 0 1 +54 54 13.678 0 1 +55 55 18.718 0 1 +56 56 15.897 0 1 +57 57 16.323 0 1 +58 58 22.424 0 1 +59 59 21.223 0 1 +60 60 18.025 0 1 diff --git a/bench/main_benchmark/annotations/SFB_ID_ASYN_1XQ8A_1XQ8A/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_ASYN_1XQ8A_1XQ8A/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..cd0c8355f7fa6df4822fa6f387b32dfda08c7075 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_ASYN_1XQ8A_1XQ8A/state_region_BLIND_proxy.tsv @@ -0,0 +1,142 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 1 0 +4 0 0 +5 0 0 +6 0 0 +7 0 0 +8 1 0 +9 0 0 +10 0 0 +11 1 0 +12 0 0 +13 0 0 +14 0 0 +15 1 0 +16 1 0 +17 0 0 +18 1 0 +19 0 0 +20 0 0 +21 0 0 +22 0 0 +23 0 0 +24 0 0 +25 0 0 +26 1 0 +27 0 1 +28 0 0 +29 1 0 +30 0 0 +31 0 1 +32 0 0 +33 0 0 +34 0 0 +35 0 0 +36 0 0 +37 1 0 +38 0 1 +39 0 0 +40 1 0 +41 0 0 +42 0 1 +43 0 0 +44 0 0 +45 0 0 +46 0 0 +47 0 0 +48 1 0 +49 1 0 +50 0 1 +51 0 0 +52 1 0 +53 0 1 +54 0 0 +55 1 0 +56 0 0 +57 0 1 +58 0 0 +59 0 0 +60 0 1 +61 1 0 +62 0 0 +63 1 0 +64 0 1 +65 0 1 +66 1 0 +67 0 0 +68 0 0 +69 1 0 +70 1 1 +71 1 0 +72 0 1 +73 0 0 +74 1 0 +75 0 1 +76 0 1 +77 1 0 +78 1 0 +79 0 1 +80 0 0 +81 0 0 +82 1 0 +83 1 0 +84 0 0 +85 1 0 +86 0 0 +87 0 0 +88 1 0 +89 0 0 +90 0 0 +91 1 0 +92 0 0 +93 0 0 +94 1 0 +95 1 0 +96 0 0 +97 0 0 +98 1 1 +99 0 1 +100 0 1 +101 0 1 +102 1 1 +103 0 1 +104 1 1 +105 0 1 +106 0 1 +107 0 1 +108 0 1 +109 0 1 +110 0 0 +111 0 1 +112 1 1 +113 0 1 +114 0 0 +115 0 1 +116 0 1 +117 0 1 +118 1 1 +119 0 1 +120 0 0 +121 0 0 +122 0 0 +123 0 0 +124 0 0 +125 0 0 +126 0 0 +127 0 0 +128 0 0 +129 0 0 +130 0 0 +131 0 0 +132 0 0 +133 0 0 +134 0 0 +135 0 0 +136 0 0 +137 0 0 +138 0 0 +139 0 0 +140 0 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_ASYN_1XQ8A_1XQ8A/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_ASYN_1XQ8A_1XQ8A/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..7293917eab43bf0d5c12d1ce4258da4ae2423437 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_ASYN_1XQ8A_1XQ8A/state_region_FINAL.tsv @@ -0,0 +1,144 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 0.000 1 0 +2 2 0.000 1 0 +3 3 0.000 1 0 +4 4 0.000 1 0 +5 5 0.000 1 0 +6 6 0.000 1 0 +7 7 0.000 1 0 +8 8 0.000 1 0 +9 9 0.000 1 0 +10 10 0.000 1 0 +11 11 0.000 1 0 +12 12 0.000 1 0 +13 13 0.000 1 0 +14 14 0.000 1 0 +15 15 0.000 1 0 +16 16 0.000 1 0 +17 17 0.000 1 0 +18 18 0.000 1 0 +19 19 0.000 1 0 +20 20 0.000 1 0 +21 21 0.000 1 0 +22 22 0.000 1 0 +23 23 0.000 1 0 +24 24 0.000 1 0 +25 25 0.000 1 0 +26 26 0.000 1 0 +27 27 0.000 1 0 +28 28 0.000 1 0 +29 29 0.000 1 0 +30 30 0.000 1 0 +31 31 0.000 1 0 +32 32 0.000 1 0 +33 33 0.000 1 0 +34 34 0.000 1 0 +35 35 0.000 1 0 +36 36 0.000 1 0 +37 37 0.000 1 0 +38 38 0.000 1 0 +39 39 0.000 1 0 +40 40 0.000 1 0 +41 41 0.000 1 0 +42 42 0.000 1 0 +43 43 0.000 1 0 +44 44 0.000 1 0 +45 45 0.000 1 0 +46 46 0.000 1 0 +47 47 0.000 1 0 +48 48 0.000 1 0 +49 49 0.000 1 0 +50 50 0.000 1 0 +51 51 0.000 1 0 +52 52 0.000 1 0 +53 53 0.000 1 0 +54 54 0.000 1 0 +55 55 0.000 1 0 +56 56 0.000 1 0 +57 57 0.000 1 0 +58 58 0.000 1 0 +59 59 0.000 1 0 +60 60 0.000 1 0 +61 61 0.000 1 0 +62 62 0.000 1 0 +63 63 0.000 1 0 +64 64 0.000 1 0 +65 65 0.000 1 0 +66 66 0.000 1 0 +67 67 0.000 1 0 +68 68 0.000 1 0 +69 69 0.000 1 0 +70 70 0.000 1 0 +71 71 0.000 1 0 +72 72 0.000 1 0 +73 73 0.000 1 0 +74 74 0.000 1 0 +75 75 0.000 1 0 +76 76 0.000 1 0 +77 77 0.000 1 0 +78 78 0.000 1 0 +79 79 0.000 1 0 +80 80 0.000 1 0 +81 81 0.000 1 0 +82 82 0.000 1 0 +83 83 0.000 1 0 +84 84 0.000 1 0 +85 85 0.000 1 0 +86 86 0.000 1 0 +87 87 0.000 1 0 +88 88 0.000 1 0 +89 89 0.000 1 0 +90 90 0.000 1 0 +91 91 0.000 1 0 +92 92 0.000 1 0 +93 93 0.000 1 0 +94 94 0.000 1 0 +95 95 0.000 1 0 +96 96 0.000 1 0 +97 97 0.000 1 0 +98 98 0.000 1 0 +99 99 0.000 1 0 +100 100 0.000 1 0 +101 101 0.000 1 0 +102 102 0.000 1 0 +103 103 0.000 1 0 +104 104 0.000 1 0 +105 105 0.000 1 0 +106 106 0.000 1 0 +107 107 0.000 1 0 +108 108 0.000 1 0 +109 109 0.000 1 0 +110 110 0.000 1 0 +111 111 0.000 1 0 +112 112 0.000 1 0 +113 113 0.000 1 0 +114 114 0.000 1 0 +115 115 0.000 1 0 +116 116 0.000 1 0 +117 117 0.000 1 0 +118 118 0.000 1 0 +119 119 0.000 1 0 +120 120 0.000 1 0 +121 121 0.000 1 0 +122 122 0.000 1 0 +123 123 0.000 1 0 +124 124 0.000 1 0 +125 125 0.000 1 0 +126 126 0.000 1 0 +127 127 0.000 1 0 +128 128 0.000 1 0 +129 129 0.000 1 0 +130 130 0.000 1 0 +131 131 0.000 1 0 +132 132 0.000 1 0 +133 133 0.000 1 0 +134 134 0.000 1 0 +135 135 0.000 1 0 +136 136 0.000 1 0 +137 137 0.000 1 0 +138 138 0.000 1 0 +139 139 0.000 1 0 +140 140 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_BAD_1G5JB_1G5JB/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_BAD_1G5JB_1G5JB/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..671493c0e1cfacb21f18180ed07f18061e307a50 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_BAD_1G5JB_1G5JB/state_region_BLIND_proxy.tsv @@ -0,0 +1,29 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 1 0 +3 0 0 +4 0 0 +5 0 0 +6 0 1 +7 0 0 +8 0 0 +9 0 0 +10 0 0 +11 0 1 +12 1 0 +13 0 0 +14 1 0 +15 1 0 +16 0 0 +17 0 0 +18 0 0 +19 1 0 +20 1 1 +21 0 1 +22 0 1 +23 1 1 +24 0 1 +25 0 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_BAD_1G5JB_1G5JB/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_BAD_1G5JB_1G5JB/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..1563b72a4d7cd8587153e1a2575e6d4f98d0deaa --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_BAD_1G5JB_1G5JB/state_region_FINAL.tsv @@ -0,0 +1,29 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 301 0.000 1 0 +2 302 0.000 1 0 +3 303 0.000 1 0 +4 304 0.000 1 0 +5 305 0.000 1 0 +6 306 0.000 1 0 +7 307 0.000 1 0 +8 308 0.000 1 0 +9 309 0.000 1 0 +10 310 0.000 1 0 +11 311 0.000 1 0 +12 312 0.000 1 0 +13 313 0.000 1 0 +14 314 0.000 1 0 +15 315 0.000 1 0 +16 316 0.000 1 0 +17 317 0.000 1 0 +18 318 0.000 1 0 +19 319 0.000 1 0 +20 320 0.000 1 0 +21 321 0.000 1 0 +22 322 0.000 1 0 +23 323 0.000 1 0 +24 324 0.000 1 0 +25 325 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_BID_1DDBA_1DDBA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_BID_1DDBA_1DDBA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..c1c6078d94d47ee1f8676e5d03f7b69d2ffd887c --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_BID_1DDBA_1DDBA/state_region_BLIND_proxy.tsv @@ -0,0 +1,197 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 0 0 +7 0 0 +8 0 0 +9 0 0 +10 0 0 +11 1 0 +12 0 0 +13 0 0 +14 0 0 +15 0 1 +16 1 1 +17 0 0 +18 0 1 +19 1 0 +20 1 0 +21 1 0 +22 1 0 +23 0 1 +24 1 0 +25 1 0 +26 0 0 +27 0 0 +28 0 1 +29 0 1 +30 1 0 +31 0 0 +32 0 1 +33 0 1 +34 0 0 +35 1 0 +36 0 1 +37 0 1 +38 1 0 +39 0 0 +40 0 1 +41 0 0 +42 1 0 +43 0 1 +44 1 1 +45 0 1 +46 0 1 +47 0 1 +48 0 1 +49 0 1 +50 0 1 +51 0 1 +52 0 1 +53 0 0 +54 0 0 +55 0 0 +56 0 0 +57 0 0 +58 0 0 +59 0 0 +60 0 0 +61 0 0 +62 0 0 +63 0 0 +64 0 0 +65 0 0 +66 0 1 +67 0 1 +68 0 1 +69 0 1 +70 0 0 +71 1 1 +72 0 1 +73 0 0 +74 0 1 +75 0 0 +76 0 0 +77 0 0 +78 0 1 +79 0 0 +80 0 0 +81 0 0 +82 1 0 +83 1 0 +84 0 0 +85 0 1 +86 1 0 +87 0 0 +88 0 0 +89 0 0 +90 1 0 +91 0 0 +92 0 0 +93 1 0 +94 0 0 +95 0 0 +96 0 1 +97 0 0 +98 0 0 +99 0 1 +100 0 0 +101 1 0 +102 0 1 +103 0 0 +104 0 1 +105 1 0 +106 1 0 +107 0 0 +108 0 1 +109 1 0 +110 0 0 +111 0 1 +112 0 0 +113 1 0 +114 0 1 +115 0 0 +116 0 1 +117 0 0 +118 1 0 +119 1 0 +120 1 0 +121 0 0 +122 0 0 +123 0 0 +124 0 0 +125 0 1 +126 1 0 +127 1 0 +128 0 0 +129 0 1 +130 0 0 +131 1 0 +132 1 0 +133 0 1 +134 1 0 +135 0 1 +136 0 0 +137 0 0 +138 0 1 +139 0 0 +140 0 1 +141 0 0 +142 0 0 +143 0 0 +144 0 0 +145 0 0 +146 0 0 +147 0 0 +148 0 0 +149 1 0 +150 1 0 +151 1 0 +152 0 0 +153 1 0 +154 1 0 +155 1 0 +156 0 0 +157 0 0 +158 0 0 +159 1 0 +160 0 0 +161 0 0 +162 0 0 +163 0 1 +164 0 0 +165 0 0 +166 1 0 +167 1 0 +168 0 0 +169 0 1 +170 1 0 +171 1 0 +172 0 1 +173 0 0 +174 0 0 +175 1 0 +176 0 0 +177 0 0 +178 1 0 +179 0 0 +180 0 0 +181 0 0 +182 1 0 +183 0 1 +184 0 1 +185 0 0 +186 1 0 +187 0 0 +188 0 0 +189 1 0 +190 1 0 +191 0 0 +192 0 0 +193 0 0 +194 0 0 +195 0 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_BID_1DDBA_1DDBA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_BID_1DDBA_1DDBA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..3c03f7875dc3bbb6113023c70f126e3f59fa1dde --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_BID_1DDBA_1DDBA/state_region_FINAL.tsv @@ -0,0 +1,199 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 0.000 1 0 +2 2 0.000 1 0 +3 3 0.000 1 0 +4 4 0.000 1 0 +5 5 0.000 1 0 +6 6 0.000 1 0 +7 7 0.000 1 0 +8 8 0.000 1 0 +9 9 0.000 1 0 +10 10 0.000 1 0 +11 11 0.000 1 0 +12 12 0.000 1 0 +13 13 0.000 1 0 +14 14 0.000 1 0 +15 15 0.000 1 0 +16 16 0.000 1 0 +17 17 0.000 1 0 +18 18 0.000 1 0 +19 19 0.000 1 0 +20 20 0.000 1 0 +21 21 0.000 1 0 +22 22 0.000 1 0 +23 23 0.000 1 0 +24 24 0.000 1 0 +25 25 0.000 1 0 +26 26 0.000 1 0 +27 27 0.000 1 0 +28 28 0.000 1 0 +29 29 0.000 1 0 +30 30 0.000 1 0 +31 31 0.000 1 0 +32 32 0.000 1 0 +33 33 0.000 1 0 +34 34 0.000 1 0 +35 35 0.000 1 0 +36 36 0.000 1 0 +37 37 0.000 1 0 +38 38 0.000 1 0 +39 39 0.000 1 0 +40 40 0.000 1 0 +41 41 0.000 1 0 +42 42 0.000 1 0 +43 43 0.000 1 0 +44 44 0.000 1 0 +45 45 0.000 1 0 +46 46 0.000 1 0 +47 47 0.000 1 0 +48 48 0.000 1 0 +49 49 0.000 1 0 +50 50 0.000 1 0 +51 51 0.000 1 0 +52 52 0.000 1 0 +53 53 0.000 1 0 +54 54 0.000 1 0 +55 55 0.000 1 0 +56 56 0.000 1 0 +57 57 0.000 1 0 +58 58 0.000 1 0 +59 59 0.000 1 0 +60 60 0.000 1 0 +61 61 0.000 1 0 +62 62 0.000 1 0 +63 63 0.000 1 0 +64 64 0.000 1 0 +65 65 0.000 1 0 +66 66 0.000 1 0 +67 67 0.000 1 0 +68 68 0.000 1 0 +69 69 0.000 1 0 +70 70 0.000 1 0 +71 71 0.000 1 0 +72 72 0.000 1 0 +73 73 0.000 1 0 +74 74 0.000 1 0 +75 75 0.000 1 0 +76 76 0.000 1 0 +77 77 0.000 1 0 +78 78 0.000 1 0 +79 79 0.000 1 0 +80 80 0.000 1 0 +81 81 0.000 1 0 +82 82 0.000 1 0 +83 83 0.000 1 0 +84 84 0.000 1 0 +85 85 0.000 1 0 +86 86 0.000 1 0 +87 87 0.000 1 0 +88 88 0.000 1 0 +89 89 0.000 1 0 +90 90 0.000 1 0 +91 91 0.000 1 0 +92 92 0.000 1 0 +93 93 0.000 1 0 +94 94 0.000 1 0 +95 95 0.000 1 0 +96 96 0.000 1 0 +97 97 0.000 1 0 +98 98 0.000 1 0 +99 99 0.000 1 0 +100 100 0.000 1 0 +101 101 0.000 1 0 +102 102 0.000 1 0 +103 103 0.000 1 0 +104 104 0.000 1 0 +105 105 0.000 1 0 +106 106 0.000 1 0 +107 107 0.000 1 0 +108 108 0.000 1 0 +109 109 0.000 1 0 +110 110 0.000 1 0 +111 111 0.000 1 0 +112 112 0.000 1 0 +113 113 0.000 1 0 +114 114 0.000 1 0 +115 115 0.000 1 0 +116 116 0.000 1 0 +117 117 0.000 1 0 +118 118 0.000 1 0 +119 119 0.000 1 0 +120 120 0.000 1 0 +121 121 0.000 1 0 +122 122 0.000 1 0 +123 123 0.000 1 0 +124 124 0.000 1 0 +125 125 0.000 1 0 +126 126 0.000 1 0 +127 127 0.000 1 0 +128 128 0.000 1 0 +129 129 0.000 1 0 +130 130 0.000 1 0 +131 131 0.000 1 0 +132 132 0.000 1 0 +133 133 0.000 1 0 +134 134 0.000 1 0 +135 135 0.000 1 0 +136 136 0.000 1 0 +137 137 0.000 1 0 +138 138 0.000 1 0 +139 139 0.000 1 0 +140 140 0.000 1 0 +141 141 0.000 1 0 +142 142 0.000 1 0 +143 143 0.000 1 0 +144 144 0.000 1 0 +145 145 0.000 1 0 +146 146 0.000 1 0 +147 147 0.000 1 0 +148 148 0.000 1 0 +149 149 0.000 1 0 +150 150 0.000 1 0 +151 151 0.000 1 0 +152 152 0.000 1 0 +153 153 0.000 1 0 +154 154 0.000 1 0 +155 155 0.000 1 0 +156 156 0.000 1 0 +157 157 0.000 1 0 +158 158 0.000 1 0 +159 159 0.000 1 0 +160 160 0.000 1 0 +161 161 0.000 1 0 +162 162 0.000 1 0 +163 163 0.000 1 0 +164 164 0.000 1 0 +165 165 0.000 1 0 +166 166 0.000 1 0 +167 167 0.000 1 0 +168 168 0.000 1 0 +169 169 0.000 1 0 +170 170 0.000 1 0 +171 171 0.000 1 0 +172 172 0.000 1 0 +173 173 0.000 1 0 +174 174 0.000 1 0 +175 175 0.000 1 0 +176 176 0.000 1 0 +177 177 0.000 1 0 +178 178 0.000 1 0 +179 179 0.000 1 0 +180 180 0.000 1 0 +181 181 0.000 1 0 +182 182 0.000 1 0 +183 183 0.000 1 0 +184 184 0.000 1 0 +185 185 0.000 1 0 +186 186 0.000 1 0 +187 187 0.000 1 0 +188 188 0.000 1 0 +189 189 0.000 1 0 +190 190 0.000 1 0 +191 191 0.000 1 0 +192 192 0.000 1 0 +193 193 0.000 1 0 +194 194 0.000 1 0 +195 195 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_CJUN_1JNMB_1JNMB/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_CJUN_1JNMB_1JNMB/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..51b77a5c2176d8f74942ee4437498dfa9db5da2f --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_CJUN_1JNMB_1JNMB/state_region_BLIND_proxy.tsv @@ -0,0 +1,59 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 1 0 +4 0 0 +5 0 0 +6 1 0 +7 0 0 +8 0 0 +9 0 0 +10 0 0 +11 1 0 +12 0 0 +13 0 0 +14 0 0 +15 0 0 +16 0 0 +17 0 0 +18 0 0 +19 0 0 +20 0 0 +21 1 0 +22 1 0 +23 0 0 +24 1 0 +25 0 1 +26 1 1 +27 1 0 +28 0 0 +29 0 1 +30 0 0 +31 1 0 +32 0 0 +33 0 1 +34 1 0 +35 0 0 +36 0 1 +37 0 0 +38 0 0 +39 0 1 +40 0 1 +41 1 0 +42 0 1 +43 0 1 +44 0 0 +45 1 1 +46 0 1 +47 0 1 +48 1 0 +49 0 0 +50 0 1 +51 0 0 +52 1 0 +53 0 1 +54 0 1 +55 1 0 +56 0 0 +57 0 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_CJUN_1JNMB_1JNMB/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_CJUN_1JNMB_1JNMB/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..772bcb4b9f0c970325d2e57b2b983c56a580aa06 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_CJUN_1JNMB_1JNMB/state_region_FINAL.tsv @@ -0,0 +1,61 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 254 0.000 1 0 +2 255 0.000 1 0 +3 256 0.000 1 0 +4 257 0.000 1 0 +5 258 0.000 1 0 +6 259 0.000 1 0 +7 260 0.000 1 0 +8 261 0.000 1 0 +9 262 0.000 1 0 +10 263 0.000 1 0 +11 264 0.000 1 0 +12 265 0.000 1 0 +13 266 0.000 1 0 +14 267 0.000 1 0 +15 268 0.000 1 0 +16 269 0.000 1 0 +17 270 0.000 1 0 +18 271 0.000 1 0 +19 272 0.000 1 0 +20 273 0.000 1 0 +21 274 0.000 1 0 +22 275 0.000 1 0 +23 276 0.000 1 0 +24 277 0.000 1 0 +25 278 0.000 1 0 +26 279 0.000 1 0 +27 280 0.000 1 0 +28 281 0.000 1 0 +29 282 0.000 1 0 +30 283 0.000 1 0 +31 284 0.000 1 0 +32 285 0.000 1 0 +33 286 0.000 1 0 +34 287 0.000 1 0 +35 288 0.000 1 0 +36 289 0.000 1 0 +37 290 0.000 1 0 +38 291 0.000 1 0 +39 292 0.000 1 0 +40 293 0.000 1 0 +41 294 0.000 1 0 +42 295 0.000 1 0 +43 296 0.000 1 0 +44 297 0.000 1 0 +45 298 0.000 1 0 +46 299 0.000 1 0 +47 300 0.000 1 0 +48 301 0.000 1 0 +49 302 0.000 1 0 +50 303 0.000 1 0 +51 304 0.000 1 0 +52 305 0.000 1 0 +53 306 0.000 1 0 +54 307 0.000 1 0 +55 308 0.000 1 0 +56 309 0.000 1 0 +57 310 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_CREB_1KDXB_1KDXB/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_CREB_1KDXB_1KDXB/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..5d4e7e1a2a448d6a269706a8160084b97f8f5dcd --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_CREB_1KDXB_1KDXB/state_region_BLIND_proxy.tsv @@ -0,0 +1,31 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 1 1 +3 0 1 +4 0 1 +5 0 0 +6 0 0 +7 0 0 +8 1 0 +9 1 0 +10 1 0 +11 0 1 +12 0 0 +13 0 0 +14 0 0 +15 0 0 +16 0 0 +17 0 0 +18 1 0 +19 1 0 +20 0 0 +21 0 0 +22 1 0 +23 0 0 +24 0 0 +25 0 1 +26 0 1 +27 0 1 diff --git a/bench/main_benchmark/annotations/SFB_ID_CREB_1KDXB_1KDXB/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_CREB_1KDXB_1KDXB/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..c97afbef729536fb9d826ab1ee9de69920663de3 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_CREB_1KDXB_1KDXB/state_region_FINAL.tsv @@ -0,0 +1,31 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 119 0.000 1 0 +2 120 0.000 1 0 +3 121 0.000 1 0 +4 122 0.000 1 0 +5 123 0.000 1 0 +6 124 0.000 1 0 +7 125 0.000 1 0 +8 126 0.000 1 0 +9 127 0.000 1 0 +10 128 0.000 1 0 +11 129 0.000 1 0 +12 130 0.000 1 0 +13 131 0.000 1 0 +14 132 0.000 1 0 +15 134 0.000 1 0 +16 135 0.000 1 0 +17 136 0.000 1 0 +18 137 0.000 1 0 +19 138 0.000 1 0 +20 139 0.000 1 0 +21 140 0.000 1 0 +22 141 0.000 1 0 +23 142 0.000 1 0 +24 143 0.000 1 0 +25 144 0.000 1 0 +26 145 0.000 1 0 +27 146 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_EIF4E_1WKWB_1WKWB/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_EIF4E_1WKWB_1WKWB/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..4a71efaefebe7c33a488e5a5c3fdd016cee7ea88 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_EIF4E_1WKWB_1WKWB/state_region_BLIND_proxy.tsv @@ -0,0 +1,24 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 1 0 +7 1 0 +8 0 0 +9 0 0 +10 0 0 +11 0 1 +12 1 0 +13 1 0 +14 0 1 +15 0 1 +16 1 1 +17 0 0 +18 0 1 +19 0 0 +20 0 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_EIF4E_1WKWB_1WKWB/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_EIF4E_1WKWB_1WKWB/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..5ffe316cdb009b387c451ab03aff0f0a7b4b783a --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_EIF4E_1WKWB_1WKWB/state_region_FINAL.tsv @@ -0,0 +1,24 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 47 0.000 1 0 +2 48 0.000 1 0 +3 49 0.000 1 0 +4 50 0.000 1 0 +5 51 0.000 1 0 +6 52 0.000 1 0 +7 53 0.000 1 0 +8 54 0.000 1 0 +9 55 0.000 1 0 +10 56 0.000 1 0 +11 57 0.000 1 0 +12 58 0.000 1 0 +13 59 0.000 1 0 +14 60 0.000 1 0 +15 61 0.000 1 0 +16 62 0.000 1 0 +17 63 0.000 1 0 +18 64 0.000 1 0 +19 65 0.000 1 0 +20 66 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_HIF1A_1L8CB_1L8CB/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_HIF1A_1L8CB_1L8CB/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..af197f1a63f057e6940640e60313519d713b32ce --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_HIF1A_1L8CB_1L8CB/state_region_BLIND_proxy.tsv @@ -0,0 +1,55 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 1 1 +4 0 0 +5 1 0 +6 0 0 +7 1 0 +8 1 0 +9 0 0 +10 0 1 +11 0 0 +12 0 1 +13 0 1 +14 0 1 +15 0 1 +16 0 1 +17 0 0 +18 0 0 +19 0 1 +20 0 0 +21 0 0 +22 0 1 +23 0 0 +24 0 0 +25 1 0 +26 0 0 +27 1 0 +28 0 0 +29 0 0 +30 0 0 +31 1 1 +32 0 0 +33 0 0 +34 0 1 +35 0 1 +36 0 1 +37 0 0 +38 1 0 +39 0 0 +40 0 0 +41 0 0 +42 0 0 +43 1 0 +44 1 0 +45 1 0 +46 0 0 +47 1 0 +48 0 0 +49 0 0 +50 1 0 +51 0 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_HIF1A_1L8CB_1L8CB/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_HIF1A_1L8CB_1L8CB/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..c035260a516c8d330d5c214a13811db737a6a0c6 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_HIF1A_1L8CB_1L8CB/state_region_FINAL.tsv @@ -0,0 +1,55 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 99 0.000 1 0 +2 100 0.000 1 0 +3 101 0.000 1 0 +4 102 0.000 1 0 +5 103 0.000 1 0 +6 104 0.000 1 0 +7 105 0.000 1 0 +8 106 0.000 1 0 +9 107 0.000 1 0 +10 108 0.000 1 0 +11 109 0.000 1 0 +12 110 0.000 1 0 +13 111 0.000 1 0 +14 112 0.000 1 0 +15 113 0.000 1 0 +16 114 0.000 1 0 +17 115 0.000 1 0 +18 116 0.000 1 0 +19 117 0.000 1 0 +20 118 0.000 1 0 +21 119 0.000 1 0 +22 120 0.000 1 0 +23 121 0.000 1 0 +24 122 0.000 1 0 +25 123 0.000 1 0 +26 124 0.000 1 0 +27 125 0.000 1 0 +28 126 0.000 1 0 +29 127 0.000 1 0 +30 128 0.000 1 0 +31 129 0.000 1 0 +32 130 0.000 1 0 +33 131 0.000 1 0 +34 132 0.000 1 0 +35 133 0.000 1 0 +36 134 0.000 1 0 +37 135 0.000 1 0 +38 136 0.000 1 0 +39 137 0.000 1 0 +40 138 0.000 1 0 +41 139 0.000 1 0 +42 140 0.000 1 0 +43 141 0.000 1 0 +44 142 0.000 1 0 +45 143 0.000 1 0 +46 144 0.000 1 0 +47 145 0.000 1 0 +48 146 0.000 1 0 +49 147 0.000 1 0 +50 148 0.000 1 0 +51 149 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_HISTH1_1GHCA_1GHCA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_HISTH1_1GHCA_1GHCA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..7208c970ca6c3aa45996d7a553e5bd53809d2b6c --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_HISTH1_1GHCA_1GHCA/state_region_BLIND_proxy.tsv @@ -0,0 +1,79 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 1 +6 1 0 +7 0 1 +8 0 1 +9 1 0 +10 1 0 +11 0 1 +12 0 1 +13 1 0 +14 1 0 +15 0 1 +16 0 0 +17 0 0 +18 0 0 +19 0 0 +20 0 0 +21 0 0 +22 0 0 +23 1 0 +24 0 0 +25 1 0 +26 0 0 +27 0 0 +28 1 0 +29 0 0 +30 0 0 +31 0 0 +32 1 0 +33 0 1 +34 0 0 +35 0 0 +36 0 0 +37 0 1 +38 0 0 +39 1 1 +40 0 1 +41 0 0 +42 0 1 +43 0 1 +44 0 1 +45 0 1 +46 1 0 +47 0 0 +48 1 1 +49 0 0 +50 1 0 +51 0 0 +52 0 0 +53 1 0 +54 1 0 +55 0 1 +56 0 0 +57 0 0 +58 0 1 +59 1 0 +60 1 0 +61 0 0 +62 0 0 +63 0 0 +64 0 0 +65 0 1 +66 0 0 +67 0 0 +68 0 0 +69 0 0 +70 0 0 +71 1 0 +72 0 0 +73 1 0 +74 0 1 +75 0 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_HISTH1_1GHCA_1GHCA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_HISTH1_1GHCA_1GHCA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..4aeb5b6b8293d352264751d024b5c27994506af1 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_HISTH1_1GHCA_1GHCA/state_region_FINAL.tsv @@ -0,0 +1,79 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 0.000 1 0 +2 2 0.000 1 0 +3 3 0.000 1 0 +4 4 0.000 1 0 +5 5 0.000 1 0 +6 6 0.000 1 0 +7 7 0.000 1 0 +8 8 0.000 1 0 +9 9 0.000 1 0 +10 10 0.000 1 0 +11 11 0.000 1 0 +12 12 0.000 1 0 +13 13 0.000 1 0 +14 14 0.000 1 0 +15 15 0.000 1 0 +16 16 0.000 1 0 +17 17 0.000 1 0 +18 18 0.000 1 0 +19 19 0.000 1 0 +20 20 0.000 1 0 +21 21 0.000 1 0 +22 22 0.000 1 0 +23 23 0.000 1 0 +24 24 0.000 1 0 +25 25 0.000 1 0 +26 26 0.000 1 0 +27 27 0.000 1 0 +28 28 0.000 1 0 +29 29 0.000 1 0 +30 30 0.000 1 0 +31 31 0.000 1 0 +32 32 0.000 1 0 +33 33 0.000 1 0 +34 34 0.000 1 0 +35 35 0.000 1 0 +36 36 0.000 1 0 +37 37 0.000 1 0 +38 38 0.000 1 0 +39 39 0.000 1 0 +40 40 0.000 1 0 +41 41 0.000 1 0 +42 42 0.000 1 0 +43 43 0.000 1 0 +44 44 0.000 1 0 +45 45 0.000 1 0 +46 46 0.000 1 0 +47 47 0.000 1 0 +48 48 0.000 1 0 +49 49 0.000 1 0 +50 50 0.000 1 0 +51 51 0.000 1 0 +52 52 0.000 1 0 +53 53 0.000 1 0 +54 54 0.000 1 0 +55 55 0.000 1 0 +56 56 0.000 1 0 +57 57 0.000 1 0 +58 58 0.000 1 0 +59 59 0.000 1 0 +60 60 0.000 1 0 +61 61 0.000 1 0 +62 62 0.000 1 0 +63 63 0.000 1 0 +64 64 0.000 1 0 +65 65 0.000 1 0 +66 66 0.000 1 0 +67 67 0.000 1 0 +68 68 0.000 1 0 +69 69 0.000 1 0 +70 70 0.000 1 0 +71 71 0.000 1 0 +72 72 0.000 1 0 +73 73 0.000 1 0 +74 74 0.000 1 0 +75 75 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_HMGB1_1AABA_1AABA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_HMGB1_1AABA_1AABA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..3dc10f1c1c2ef1a20ff7203c2b3a588856e8e2c3 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_HMGB1_1AABA_1AABA/state_region_BLIND_proxy.tsv @@ -0,0 +1,85 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 1 0 +5 0 0 +6 1 0 +7 0 0 +8 0 0 +9 0 0 +10 0 0 +11 0 0 +12 0 1 +13 0 0 +14 0 0 +15 0 0 +16 0 1 +17 1 0 +18 1 0 +19 1 1 +20 0 1 +21 0 1 +22 0 1 +23 0 0 +24 1 0 +25 1 0 +26 0 1 +27 0 0 +28 1 0 +29 1 0 +30 1 0 +31 0 0 +32 0 0 +33 0 1 +34 0 1 +35 1 1 +36 0 1 +37 1 0 +38 0 1 +39 1 0 +40 1 0 +41 0 0 +42 0 0 +43 0 0 +44 1 0 +45 0 0 +46 1 0 +47 0 0 +48 0 0 +49 0 0 +50 0 1 +51 0 0 +52 0 0 +53 0 0 +54 0 0 +55 0 0 +56 0 0 +57 0 1 +58 1 0 +59 1 0 +60 1 0 +61 0 0 +62 0 0 +63 0 0 +64 0 0 +65 0 1 +66 0 0 +67 0 0 +68 0 1 +69 1 0 +70 0 0 +71 1 1 +72 0 1 +73 0 0 +74 0 0 +75 0 1 +76 0 1 +77 0 0 +78 0 1 +79 0 0 +80 0 0 +81 0 0 +82 0 0 +83 0 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_HMGB1_1AABA_1AABA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_HMGB1_1AABA_1AABA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..9440acc6b9e4063612f702430ec4bafaba0731c0 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_HMGB1_1AABA_1AABA/state_region_FINAL.tsv @@ -0,0 +1,87 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 0.000 1 0 +2 2 0.000 1 0 +3 3 0.000 1 0 +4 4 0.000 1 0 +5 5 0.000 1 0 +6 6 0.000 1 0 +7 7 0.000 1 0 +8 8 0.000 1 0 +9 9 0.000 1 0 +10 10 0.000 1 0 +11 11 0.000 1 0 +12 12 0.000 1 0 +13 13 0.000 1 0 +14 14 0.000 1 0 +15 15 0.000 1 0 +16 16 0.000 1 0 +17 17 0.000 1 0 +18 18 0.000 1 0 +19 19 0.000 1 0 +20 20 0.000 1 0 +21 21 0.000 1 0 +22 22 0.000 1 0 +23 23 0.000 1 0 +24 24 0.000 1 0 +25 25 0.000 1 0 +26 26 0.000 1 0 +27 27 0.000 1 0 +28 28 0.000 1 0 +29 29 0.000 1 0 +30 30 0.000 1 0 +31 31 0.000 1 0 +32 32 0.000 1 0 +33 33 0.000 1 0 +34 34 0.000 1 0 +35 35 0.000 1 0 +36 36 0.000 1 0 +37 37 0.000 1 0 +38 38 0.000 1 0 +39 39 0.000 1 0 +40 40 0.000 1 0 +41 41 0.000 1 0 +42 42 0.000 1 0 +43 43 0.000 1 0 +44 44 0.000 1 0 +45 45 0.000 1 0 +46 46 0.000 1 0 +47 47 0.000 1 0 +48 48 0.000 1 0 +49 49 0.000 1 0 +50 50 0.000 1 0 +51 51 0.000 1 0 +52 52 0.000 1 0 +53 53 0.000 1 0 +54 54 0.000 1 0 +55 55 0.000 1 0 +56 56 0.000 1 0 +57 57 0.000 1 0 +58 58 0.000 1 0 +59 59 0.000 1 0 +60 60 0.000 1 0 +61 61 0.000 1 0 +62 62 0.000 1 0 +63 63 0.000 1 0 +64 64 0.000 1 0 +65 65 0.000 1 0 +66 66 0.000 1 0 +67 67 0.000 1 0 +68 68 0.000 1 0 +69 69 0.000 1 0 +70 70 0.000 1 0 +71 71 0.000 1 0 +72 72 0.000 1 0 +73 73 0.000 1 0 +74 74 0.000 1 0 +75 75 0.000 1 0 +76 76 0.000 1 0 +77 77 0.000 1 0 +78 78 0.000 1 0 +79 79 0.000 1 0 +80 80 0.000 1 0 +81 81 0.000 1 0 +82 82 0.000 1 0 +83 83 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_NCOA1_1KBHB_1KBHB/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_NCOA1_1KBHB_1KBHB/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..a9d280bd9325a2fd29bb6d7c58fa896d848ff7b2 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_NCOA1_1KBHB_1KBHB/state_region_BLIND_proxy.tsv @@ -0,0 +1,61 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 1 +5 1 1 +6 0 1 +7 0 1 +8 0 1 +9 0 0 +10 1 0 +11 0 0 +12 0 0 +13 1 0 +14 1 0 +15 0 1 +16 0 0 +17 1 0 +18 0 0 +19 0 0 +20 0 0 +21 0 1 +22 0 0 +23 0 0 +24 0 0 +25 0 0 +26 0 0 +27 0 0 +28 0 0 +29 1 0 +30 1 0 +31 0 1 +32 1 0 +33 1 0 +34 0 0 +35 0 0 +36 0 0 +37 0 0 +38 0 0 +39 1 0 +40 1 0 +41 1 0 +42 0 0 +43 1 0 +44 1 0 +45 0 0 +46 0 0 +47 0 0 +48 0 1 +49 0 1 +50 0 1 +51 0 1 +52 1 0 +53 0 1 +54 0 1 +55 0 0 +56 0 1 +57 0 0 +58 0 0 +59 0 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_NCOA1_1KBHB_1KBHB/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_NCOA1_1KBHB_1KBHB/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..d5ed412564f491dfd111124e2c0d56ee3cdd1a14 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_NCOA1_1KBHB_1KBHB/state_region_FINAL.tsv @@ -0,0 +1,63 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 48 0.000 1 0 +2 49 0.000 1 0 +3 50 0.000 1 0 +4 51 0.000 1 0 +5 52 0.000 1 0 +6 53 0.000 1 0 +7 54 0.000 1 0 +8 55 0.000 1 0 +9 56 0.000 1 0 +10 57 0.000 1 0 +11 58 0.000 1 0 +12 59 0.000 1 0 +13 60 0.000 1 0 +14 61 0.000 1 0 +15 62 0.000 1 0 +16 63 0.000 1 0 +17 64 0.000 1 0 +18 65 0.000 1 0 +19 66 0.000 1 0 +20 67 0.000 1 0 +21 68 0.000 1 0 +22 69 0.000 1 0 +23 70 0.000 1 0 +24 71 0.000 1 0 +25 72 0.000 1 0 +26 73 0.000 1 0 +27 74 0.000 1 0 +28 75 0.000 1 0 +29 76 0.000 1 0 +30 77 0.000 1 0 +31 78 0.000 1 0 +32 79 0.000 1 0 +33 80 0.000 1 0 +34 81 0.000 1 0 +35 82 0.000 1 0 +36 83 0.000 1 0 +37 84 0.000 1 0 +38 85 0.000 1 0 +39 86 0.000 1 0 +40 87 0.000 1 0 +41 88 0.000 1 0 +42 89 0.000 1 0 +43 90 0.000 1 0 +44 91 0.000 1 0 +45 92 0.000 1 0 +46 93 0.000 1 0 +47 94 0.000 1 0 +48 95 0.000 1 0 +49 96 0.000 1 0 +50 97 0.000 1 0 +51 98 0.000 1 0 +52 99 0.000 1 0 +53 100 0.000 1 0 +54 101 0.000 1 0 +55 102 0.000 1 0 +56 103 0.000 1 0 +57 104 0.000 1 0 +58 105 0.000 1 0 +59 106 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_NUMB_1WJ1A_1WJ1A/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_NUMB_1WJ1A_1WJ1A/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..49adf632db6edec65b90d2cab7e3aff7fbf5edfc --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_NUMB_1WJ1A_1WJ1A/state_region_BLIND_proxy.tsv @@ -0,0 +1,158 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 0 0 +7 0 0 +8 0 0 +9 0 0 +10 0 0 +11 0 0 +12 0 0 +13 0 0 +14 0 0 +15 0 1 +16 0 1 +17 0 0 +18 0 0 +19 0 1 +20 0 1 +21 0 0 +22 1 1 +23 0 1 +24 0 0 +25 0 1 +26 1 0 +27 0 1 +28 1 0 +29 0 1 +30 1 0 +31 0 0 +32 0 0 +33 1 0 +34 0 0 +35 0 1 +36 1 0 +37 0 0 +38 1 0 +39 0 1 +40 0 0 +41 0 0 +42 0 0 +43 0 0 +44 0 0 +45 0 1 +46 1 0 +47 1 0 +48 0 0 +49 0 0 +50 0 0 +51 1 0 +52 0 0 +53 0 1 +54 1 0 +55 0 0 +56 0 1 +57 0 1 +58 0 0 +59 0 1 +60 0 0 +61 0 1 +62 1 1 +63 0 0 +64 0 0 +65 1 1 +66 1 0 +67 0 1 +68 1 0 +69 0 0 +70 0 1 +71 0 0 +72 0 0 +73 1 0 +74 0 0 +75 1 0 +76 1 0 +77 0 0 +78 0 1 +79 1 1 +80 0 0 +81 0 0 +82 0 1 +83 1 0 +84 1 0 +85 1 1 +86 0 0 +87 0 0 +88 0 0 +89 1 0 +90 0 0 +91 0 0 +92 1 0 +93 0 0 +94 1 0 +95 1 0 +96 0 0 +97 0 0 +98 0 0 +99 0 0 +100 0 1 +101 0 1 +102 0 1 +103 0 0 +104 0 1 +105 1 0 +106 0 0 +107 0 0 +108 1 0 +109 1 0 +110 0 0 +111 0 0 +112 0 0 +113 0 0 +114 0 0 +115 1 0 +116 0 0 +117 0 0 +118 0 1 +119 1 0 +120 0 0 +121 1 1 +122 1 0 +123 0 1 +124 0 0 +125 0 1 +126 1 0 +127 0 1 +128 0 0 +129 0 0 +130 0 0 +131 0 0 +132 1 0 +133 0 0 +134 0 0 +135 0 0 +136 1 0 +137 0 0 +138 1 0 +139 0 0 +140 1 0 +141 0 1 +142 0 1 +143 1 0 +144 0 0 +145 0 0 +146 0 0 +147 0 0 +148 0 0 +149 0 1 +150 0 0 +151 0 1 +152 0 1 +153 0 0 +154 0 0 +155 0 0 +156 0 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_NUMB_1WJ1A_1WJ1A/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_NUMB_1WJ1A_1WJ1A/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..dea3fcb8a58c8ef483c2401cbe484c3881639f56 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_NUMB_1WJ1A_1WJ1A/state_region_FINAL.tsv @@ -0,0 +1,160 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 0.000 1 0 +2 2 0.000 1 0 +3 3 0.000 1 0 +4 4 0.000 1 0 +5 5 0.000 1 0 +6 6 0.000 1 0 +7 7 0.000 1 0 +8 8 0.000 1 0 +9 9 0.000 1 0 +10 10 0.000 1 0 +11 11 0.000 1 0 +12 12 0.000 1 0 +13 13 0.000 1 0 +14 14 0.000 1 0 +15 15 0.000 1 0 +16 16 0.000 1 0 +17 17 0.000 1 0 +18 18 0.000 1 0 +19 19 0.000 1 0 +20 20 0.000 1 0 +21 21 0.000 1 0 +22 22 0.000 1 0 +23 23 0.000 1 0 +24 24 0.000 1 0 +25 25 0.000 1 0 +26 26 0.000 1 0 +27 27 0.000 1 0 +28 28 0.000 1 0 +29 29 0.000 1 0 +30 30 0.000 1 0 +31 31 0.000 1 0 +32 32 0.000 1 0 +33 33 0.000 1 0 +34 34 0.000 1 0 +35 35 0.000 1 0 +36 36 0.000 1 0 +37 37 0.000 1 0 +38 38 0.000 1 0 +39 39 0.000 1 0 +40 40 0.000 1 0 +41 41 0.000 1 0 +42 42 0.000 1 0 +43 43 0.000 1 0 +44 44 0.000 1 0 +45 45 0.000 1 0 +46 46 0.000 1 0 +47 47 0.000 1 0 +48 48 0.000 1 0 +49 49 0.000 1 0 +50 50 0.000 1 0 +51 51 0.000 1 0 +52 52 0.000 1 0 +53 53 0.000 1 0 +54 54 0.000 1 0 +55 55 0.000 1 0 +56 56 0.000 1 0 +57 57 0.000 1 0 +58 58 0.000 1 0 +59 59 0.000 1 0 +60 60 0.000 1 0 +61 61 0.000 1 0 +62 62 0.000 1 0 +63 63 0.000 1 0 +64 64 0.000 1 0 +65 65 0.000 1 0 +66 66 0.000 1 0 +67 67 0.000 1 0 +68 68 0.000 1 0 +69 69 0.000 1 0 +70 70 0.000 1 0 +71 71 0.000 1 0 +72 72 0.000 1 0 +73 73 0.000 1 0 +74 74 0.000 1 0 +75 75 0.000 1 0 +76 76 0.000 1 0 +77 77 0.000 1 0 +78 78 0.000 1 0 +79 79 0.000 1 0 +80 80 0.000 1 0 +81 81 0.000 1 0 +82 82 0.000 1 0 +83 83 0.000 1 0 +84 84 0.000 1 0 +85 85 0.000 1 0 +86 86 0.000 1 0 +87 87 0.000 1 0 +88 88 0.000 1 0 +89 89 0.000 1 0 +90 90 0.000 1 0 +91 91 0.000 1 0 +92 92 0.000 1 0 +93 93 0.000 1 0 +94 94 0.000 1 0 +95 95 0.000 1 0 +96 96 0.000 1 0 +97 97 0.000 1 0 +98 98 0.000 1 0 +99 99 0.000 1 0 +100 100 0.000 1 0 +101 101 0.000 1 0 +102 102 0.000 1 0 +103 103 0.000 1 0 +104 104 0.000 1 0 +105 105 0.000 1 0 +106 106 0.000 1 0 +107 107 0.000 1 0 +108 108 0.000 1 0 +109 109 0.000 1 0 +110 110 0.000 1 0 +111 111 0.000 1 0 +112 112 0.000 1 0 +113 113 0.000 1 0 +114 114 0.000 1 0 +115 115 0.000 1 0 +116 116 0.000 1 0 +117 117 0.000 1 0 +118 118 0.000 1 0 +119 119 0.000 1 0 +120 120 0.000 1 0 +121 121 0.000 1 0 +122 122 0.000 1 0 +123 123 0.000 1 0 +124 124 0.000 1 0 +125 125 0.000 1 0 +126 126 0.000 1 0 +127 127 0.000 1 0 +128 128 0.000 1 0 +129 129 0.000 1 0 +130 130 0.000 1 0 +131 131 0.000 1 0 +132 132 0.000 1 0 +133 133 0.000 1 0 +134 134 0.000 1 0 +135 135 0.000 1 0 +136 136 0.000 1 0 +137 137 0.000 1 0 +138 138 0.000 1 0 +139 139 0.000 1 0 +140 140 0.000 1 0 +141 141 0.000 1 0 +142 142 0.000 1 0 +143 143 0.000 1 0 +144 144 0.000 1 0 +145 145 0.000 1 0 +146 146 0.000 1 0 +147 147 0.000 1 0 +148 148 0.000 1 0 +149 149 0.000 1 0 +150 150 0.000 1 0 +151 151 0.000 1 0 +152 152 0.000 1 0 +153 153 0.000 1 0 +154 154 0.000 1 0 +155 155 0.000 1 0 +156 156 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_P27_1JSUC_1JSUC/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_P27_1JSUC_1JSUC/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..39874503e5cbe464a2ca9cfa5bfb647e75e3c72b --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_P27_1JSUC_1JSUC/state_region_BLIND_proxy.tsv @@ -0,0 +1,71 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 1 0 +6 0 0 +7 0 0 +8 1 0 +9 1 0 +10 0 0 +11 0 0 +12 1 0 +13 0 0 +14 0 0 +15 0 0 +16 0 0 +17 1 0 +18 0 1 +19 1 0 +20 0 0 +21 1 0 +22 0 1 +23 0 1 +24 0 1 +25 1 0 +26 1 0 +27 0 0 +28 0 1 +29 0 1 +30 1 0 +31 0 1 +32 0 0 +33 0 1 +34 1 1 +35 0 0 +36 0 0 +37 0 0 +38 1 0 +39 1 0 +40 1 0 +41 0 1 +42 0 1 +43 0 0 +44 0 1 +45 0 0 +46 1 0 +47 0 0 +48 0 0 +49 0 0 +50 0 0 +51 0 0 +52 0 0 +53 0 0 +54 0 1 +55 1 0 +56 0 1 +57 0 1 +58 0 1 +59 0 1 +60 1 0 +61 0 0 +62 0 1 +63 1 0 +64 0 0 +65 0 0 +66 0 0 +67 0 0 +68 0 0 +69 0 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_P27_1JSUC_1JSUC/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_P27_1JSUC_1JSUC/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..01f225799cf45981e20834335844a123f45c1202 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_P27_1JSUC_1JSUC/state_region_FINAL.tsv @@ -0,0 +1,73 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 25 0.000 1 0 +2 26 0.000 1 0 +3 27 0.000 1 0 +4 28 0.000 1 0 +5 29 0.000 1 0 +6 30 0.000 1 0 +7 31 0.000 1 0 +8 32 0.000 1 0 +9 33 0.000 1 0 +10 34 0.000 1 0 +11 35 0.000 1 0 +12 36 0.000 1 0 +13 37 0.000 1 0 +14 38 0.000 1 0 +15 39 0.000 1 0 +16 40 0.000 1 0 +17 41 0.000 1 0 +18 42 0.000 1 0 +19 43 0.000 1 0 +20 44 0.000 1 0 +21 45 0.000 1 0 +22 46 0.000 1 0 +23 47 0.000 1 0 +24 48 0.000 1 0 +25 49 0.000 1 0 +26 50 0.000 1 0 +27 51 0.000 1 0 +28 52 0.000 1 0 +29 53 0.000 1 0 +30 54 0.000 1 0 +31 55 0.000 1 0 +32 56 0.000 1 0 +33 57 0.000 1 0 +34 58 0.000 1 0 +35 59 0.000 1 0 +36 60 0.000 1 0 +37 61 0.000 1 0 +38 62 0.000 1 0 +39 63 0.000 1 0 +40 64 0.000 1 0 +41 65 0.000 1 0 +42 66 0.000 1 0 +43 67 0.000 1 0 +44 68 0.000 1 0 +45 69 0.000 1 0 +46 70 0.000 1 0 +47 71 0.000 1 0 +48 72 0.000 1 0 +49 73 0.000 1 0 +50 74 0.000 1 0 +51 75 0.000 1 0 +52 76 0.000 1 0 +53 77 0.000 1 0 +54 78 0.000 1 0 +55 79 0.000 1 0 +56 80 0.000 1 0 +57 81 0.000 1 0 +58 82 0.000 1 0 +59 83 0.000 1 0 +60 84 0.000 1 0 +61 85 0.000 1 0 +62 86 0.000 1 0 +63 87 0.000 1 0 +64 88 0.000 1 0 +65 89 0.000 1 0 +66 90 0.000 1 0 +67 91 0.000 1 0 +68 92 0.000 1 0 +69 93 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_P53TAD_2K8FA_2K8FA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_P53TAD_2K8FA_2K8FA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..e505383c80800d8aae64d7694b59373bfe23ea83 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_P53TAD_2K8FA_2K8FA/state_region_BLIND_proxy.tsv @@ -0,0 +1,92 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 0 0 +7 1 0 +8 0 0 +9 0 0 +10 0 0 +11 0 1 +12 0 0 +13 1 0 +14 0 0 +15 0 0 +16 0 1 +17 1 0 +18 0 1 +19 0 0 +20 1 0 +21 1 0 +22 0 0 +23 0 0 +24 0 0 +25 0 0 +26 1 0 +27 0 0 +28 0 1 +29 0 0 +30 0 0 +31 1 0 +32 0 1 +33 0 1 +34 0 0 +35 0 1 +36 1 0 +37 0 1 +38 0 0 +39 0 0 +40 0 0 +41 0 1 +42 1 0 +43 1 0 +44 0 1 +45 0 0 +46 0 1 +47 0 1 +48 0 1 +49 1 0 +50 0 0 +51 0 1 +52 0 0 +53 0 1 +54 0 1 +55 0 0 +56 0 0 +57 1 0 +58 0 0 +59 1 0 +60 1 0 +61 0 0 +62 0 0 +63 1 0 +64 1 0 +65 0 0 +66 1 0 +67 0 0 +68 0 1 +69 0 0 +70 0 0 +71 0 0 +72 0 0 +73 0 1 +74 1 0 +75 0 1 +76 0 0 +77 0 1 +78 0 1 +79 1 0 +80 0 0 +81 1 0 +82 0 0 +83 1 0 +84 1 0 +85 0 1 +86 0 1 +87 1 0 +88 0 0 +89 0 0 +90 0 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_P53TAD_2K8FA_2K8FA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_P53TAD_2K8FA_2K8FA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..e2e9715992a4177e63ea78522ac1a7c75b28b1bc --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_P53TAD_2K8FA_2K8FA/state_region_FINAL.tsv @@ -0,0 +1,94 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 0.000 1 0 +2 2 0.000 1 0 +3 3 0.000 1 0 +4 4 0.000 1 0 +5 5 0.000 1 0 +6 6 0.000 1 0 +7 7 0.000 1 0 +8 8 0.000 1 0 +9 9 0.000 1 0 +10 10 0.000 1 0 +11 11 0.000 1 0 +12 12 0.000 1 0 +13 13 0.000 1 0 +14 14 0.000 1 0 +15 15 0.000 1 0 +16 16 0.000 1 0 +17 17 0.000 1 0 +18 18 0.000 1 0 +19 19 0.000 1 0 +20 20 0.000 1 0 +21 21 0.000 1 0 +22 22 0.000 1 0 +23 23 0.000 1 0 +24 24 0.000 1 0 +25 25 0.000 1 0 +26 26 0.000 1 0 +27 27 0.000 1 0 +28 28 0.000 1 0 +29 29 0.000 1 0 +30 30 0.000 1 0 +31 31 0.000 1 0 +32 32 0.000 1 0 +33 33 0.000 1 0 +34 34 0.000 1 0 +35 35 0.000 1 0 +36 36 0.000 1 0 +37 37 0.000 1 0 +38 38 0.000 1 0 +39 39 0.000 1 0 +40 40 0.000 1 0 +41 41 0.000 1 0 +42 42 0.000 1 0 +43 43 0.000 1 0 +44 44 0.000 1 0 +45 45 0.000 1 0 +46 46 0.000 1 0 +47 47 0.000 1 0 +48 48 0.000 1 0 +49 49 0.000 1 0 +50 50 0.000 1 0 +51 51 0.000 1 0 +52 52 0.000 1 0 +53 53 0.000 1 0 +54 54 0.000 1 0 +55 55 0.000 1 0 +56 56 0.000 1 0 +57 57 0.000 1 0 +58 58 0.000 1 0 +59 59 0.000 1 0 +60 60 0.000 1 0 +61 61 0.000 1 0 +62 62 0.000 1 0 +63 63 0.000 1 0 +64 64 0.000 1 0 +65 65 0.000 1 0 +66 66 0.000 1 0 +67 67 0.000 1 0 +68 68 0.000 1 0 +69 69 0.000 1 0 +70 70 0.000 1 0 +71 71 0.000 1 0 +72 72 0.000 1 0 +73 73 0.000 1 0 +74 74 0.000 1 0 +75 75 0.000 1 0 +76 76 0.000 1 0 +77 77 0.000 1 0 +78 78 0.000 1 0 +79 79 0.000 1 0 +80 80 0.000 1 0 +81 81 0.000 1 0 +82 82 0.000 1 0 +83 83 0.000 1 0 +84 84 0.000 1 0 +85 85 0.000 1 0 +86 86 0.000 1 0 +87 87 0.000 1 0 +88 88 0.000 1 0 +89 89 0.000 1 0 +90 90 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_PKID_1KDXB_1KDXB/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_PKID_1KDXB_1KDXB/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..2614312426e9b2b4d453209171b1c96fddc77ea3 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_PKID_1KDXB_1KDXB/state_region_BLIND_proxy.tsv @@ -0,0 +1,29 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 1 1 +3 0 1 +4 0 1 +5 0 0 +6 0 0 +7 0 0 +8 1 0 +9 1 0 +10 1 0 +11 0 1 +12 0 0 +13 0 0 +14 0 0 +15 0 0 +16 0 0 +17 0 0 +18 1 0 +19 1 0 +20 0 0 +21 0 0 +22 1 0 +23 0 0 +24 0 0 +25 0 1 +26 0 1 +27 0 1 diff --git a/bench/main_benchmark/annotations/SFB_ID_PKID_1KDXB_1KDXB/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_PKID_1KDXB_1KDXB/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..c97afbef729536fb9d826ab1ee9de69920663de3 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_PKID_1KDXB_1KDXB/state_region_FINAL.tsv @@ -0,0 +1,31 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 119 0.000 1 0 +2 120 0.000 1 0 +3 121 0.000 1 0 +4 122 0.000 1 0 +5 123 0.000 1 0 +6 124 0.000 1 0 +7 125 0.000 1 0 +8 126 0.000 1 0 +9 127 0.000 1 0 +10 128 0.000 1 0 +11 129 0.000 1 0 +12 130 0.000 1 0 +13 131 0.000 1 0 +14 132 0.000 1 0 +15 134 0.000 1 0 +16 135 0.000 1 0 +17 136 0.000 1 0 +18 137 0.000 1 0 +19 138 0.000 1 0 +20 139 0.000 1 0 +21 140 0.000 1 0 +22 141 0.000 1 0 +23 142 0.000 1 0 +24 143 0.000 1 0 +25 144 0.000 1 0 +26 145 0.000 1 0 +27 146 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_ID_PUMA_2M04B_2M04B/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_ID_PUMA_2M04B_2M04B/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..7e7f823663d2543d48057e53bddf241c57bd4b27 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_PUMA_2M04B_2M04B/state_region_BLIND_proxy.tsv @@ -0,0 +1,29 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 1 +2 0 0 +3 0 1 +4 0 1 +5 0 1 +6 0 0 +7 0 0 +8 1 0 +9 0 0 +10 0 0 +11 0 0 +12 1 0 +13 0 0 +14 1 0 +15 1 0 +16 1 0 +17 1 0 +18 0 0 +19 1 0 +20 0 1 +21 0 0 +22 0 1 +23 0 0 +24 0 0 +25 0 1 diff --git a/bench/main_benchmark/annotations/SFB_ID_PUMA_2M04B_2M04B/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_ID_PUMA_2M04B_2M04B/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..fd6573b86c29a66276efe08e0905c11e1bd798f7 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_ID_PUMA_2M04B_2M04B/state_region_FINAL.tsv @@ -0,0 +1,29 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 68 0.000 1 0 +2 69 0.000 1 0 +3 70 0.000 1 0 +4 71 0.000 1 0 +5 72 0.000 1 0 +6 73 0.000 1 0 +7 74 0.000 1 0 +8 75 0.000 1 0 +9 76 0.000 1 0 +10 77 0.000 1 0 +11 78 0.000 1 0 +12 79 0.000 1 0 +13 80 0.000 1 0 +14 81 0.000 1 0 +15 82 0.000 1 0 +16 83 0.000 1 0 +17 84 0.000 1 0 +18 85 0.000 1 0 +19 86 0.000 1 0 +20 87 0.000 1 0 +21 88 0.000 1 0 +22 89 0.000 1 0 +23 90 0.000 1 0 +24 91 0.000 1 0 +25 92 0.000 1 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_BARNASE_1A2PA_1YVSA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_BARNASE_1A2PA_1YVSA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..db3683e10d2013043ce0e2923c60bda1e0a5c7a1 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_BARNASE_1A2PA_1YVSA/state_region_BLIND_proxy.tsv @@ -0,0 +1,112 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 1 0 +3 0 0 +4 0 0 +5 1 0 +6 0 0 +7 0 0 +8 1 0 +9 1 0 +10 0 1 +11 1 0 +12 1 0 +13 0 1 +14 0 1 +15 0 1 +16 0 0 +17 0 1 +18 1 0 +19 0 0 +20 0 1 +21 0 0 +22 0 0 +23 1 0 +24 0 0 +25 0 0 +26 0 1 +27 0 0 +28 1 0 +29 0 1 +30 0 1 +31 1 0 +32 0 0 +33 0 0 +34 1 1 +35 0 0 +36 0 1 +37 0 1 +38 0 0 +39 0 0 +40 1 0 +41 0 1 +42 0 1 +43 1 0 +44 0 0 +45 0 0 +46 0 0 +47 0 0 +48 0 0 +49 1 0 +50 0 0 +51 0 0 +52 0 0 +53 1 1 +54 1 0 +55 0 0 +56 0 0 +57 0 0 +58 0 0 +59 0 0 +60 0 1 +61 1 0 +62 0 0 +63 0 1 +64 0 1 +65 0 1 +66 0 0 +67 0 0 +68 0 1 +69 0 0 +70 0 1 +71 0 0 +72 1 0 +73 0 0 +74 1 0 +75 0 0 +76 0 0 +77 0 1 +78 0 0 +79 0 0 +80 0 1 +81 0 0 +82 0 0 +83 0 0 +84 0 0 +85 0 0 +86 1 0 +87 1 0 +88 1 0 +89 0 0 +90 0 0 +91 0 0 +92 0 0 +93 1 0 +94 1 0 +95 1 0 +96 0 0 +97 0 0 +98 0 1 +99 0 0 +100 0 0 +101 0 0 +102 0 1 +103 0 0 +104 1 0 +105 0 1 +106 0 1 +107 1 0 +108 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_BARNASE_1A2PA_1YVSA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_BARNASE_1A2PA_1YVSA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..cee745c119aa05f905a812e29f5882423504e937 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_BARNASE_1A2PA_1YVSA/state_region_FINAL.tsv @@ -0,0 +1,112 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 3 35.800 0 1 +2 4 37.049 0 1 +3 5 32.254 0 1 +4 6 32.798 0 1 +5 7 36.528 0 1 +6 8 41.000 0 1 +7 9 41.058 0 1 +8 10 41.649 0 1 +9 11 46.110 0 1 +10 12 49.990 0 1 +11 13 49.777 0 1 +12 14 51.019 0 1 +13 15 56.514 0 1 +14 16 58.832 0 1 +15 17 57.574 0 1 +16 18 56.596 0 1 +17 19 51.160 0 1 +18 20 45.003 0 1 +19 21 44.001 0 1 +20 22 43.179 0 1 +21 23 36.654 0 1 +22 24 35.541 0 1 +23 25 34.225 0 1 +24 26 33.383 0 1 +25 27 27.889 0 1 +26 28 29.744 0 1 +27 29 31.675 0 1 +28 30 25.989 0 1 +29 31 22.692 0 1 +30 32 27.026 0 1 +31 33 26.800 0 1 +32 34 20.633 0 1 +33 35 17.463 0 1 +34 36 11.650 0 1 +35 37 11.788 0 1 +36 38 6.561 0 1 +37 39 4.752 0 1 +38 40 3.463 0 1 +39 41 1.170 1 0 +40 42 0.521 1 0 +41 43 0.516 1 0 +42 44 0.850 1 0 +43 45 0.839 1 0 +44 46 0.630 1 0 +45 47 0.621 1 0 +46 48 0.645 1 0 +47 49 0.526 1 0 +48 50 0.086 1 0 +49 51 0.109 1 0 +50 52 0.085 1 0 +51 53 0.096 1 0 +52 54 0.171 1 0 +53 55 0.430 1 0 +54 56 0.319 1 0 +55 57 0.145 1 0 +56 58 0.273 1 0 +57 59 0.275 1 0 +58 60 0.318 1 0 +59 61 0.540 1 0 +60 62 0.601 1 0 +61 63 0.162 1 0 +62 64 0.159 1 0 +63 65 0.306 1 0 +64 66 0.374 1 0 +65 67 0.446 1 0 +66 68 0.448 1 0 +67 69 0.341 1 0 +68 70 0.356 1 0 +69 71 0.192 1 0 +70 72 0.160 1 0 +71 73 0.172 1 0 +72 74 0.174 1 0 +73 75 0.205 1 0 +74 76 0.312 1 0 +75 77 0.413 1 0 +76 78 0.326 1 0 +77 79 0.354 1 0 +78 80 0.545 1 0 +79 81 0.546 1 0 +80 82 0.167 1 0 +81 83 0.228 1 0 +82 84 0.494 1 0 +83 85 0.541 1 0 +84 86 0.169 1 0 +85 87 0.154 1 0 +86 88 0.093 1 0 +87 89 0.134 1 0 +88 90 0.105 1 0 +89 91 0.127 1 0 +90 92 0.338 1 0 +91 93 0.489 1 0 +92 94 0.359 1 0 +93 95 0.216 1 0 +94 96 0.203 1 0 +95 97 0.116 1 0 +96 98 0.195 1 0 +97 99 0.056 1 0 +98 100 0.144 1 0 +99 101 0.223 1 0 +100 102 0.496 1 0 +101 103 0.348 1 0 +102 104 0.216 1 0 +103 105 0.198 1 0 +104 106 0.183 1 0 +105 107 0.360 1 0 +106 108 0.235 1 0 +107 109 0.287 1 0 +108 110 0.910 1 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_BCLXL_1LXLA_1R2DA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_BCLXL_1LXLA_1R2DA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..7afca5f1e28ea85fc88de63731758ac245a5c21f --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_BCLXL_1LXLA_1R2DA/state_region_BLIND_proxy.tsv @@ -0,0 +1,223 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 0 0 +7 0 0 +8 0 0 +9 0 0 +10 0 0 +11 0 0 +12 1 0 +13 1 0 +14 1 0 +15 0 0 +16 1 0 +17 1 0 +18 0 0 +19 0 0 +20 0 0 +21 1 0 +22 0 0 +23 0 0 +24 0 0 +25 0 0 +26 0 0 +27 0 1 +28 0 0 +29 0 1 +30 0 1 +31 0 1 +32 0 1 +33 0 1 +34 0 1 +35 0 0 +36 0 1 +37 0 1 +38 1 0 +39 0 0 +40 0 1 +41 0 1 +42 0 1 +43 0 1 +44 0 1 +45 0 1 +46 0 1 +47 0 1 +48 0 1 +49 0 1 +50 0 1 +51 0 1 +52 0 1 +53 0 1 +54 0 1 +55 1 1 +56 0 0 +57 0 0 +58 0 1 +59 0 1 +60 0 1 +61 0 1 +62 0 1 +63 1 1 +64 0 1 +65 0 1 +66 0 0 +67 0 0 +68 0 1 +69 1 1 +70 0 1 +71 0 0 +72 0 1 +73 0 1 +74 0 1 +75 0 1 +76 0 1 +77 0 1 +78 0 1 +79 0 1 +80 1 1 +81 0 1 +82 0 1 +83 0 1 +84 1 1 +85 1 1 +86 0 0 +87 1 1 +88 0 1 +89 0 0 +90 1 0 +91 0 0 +92 0 1 +93 1 0 +94 1 0 +95 0 0 +96 0 0 +97 0 0 +98 0 0 +99 0 0 +100 0 0 +101 1 0 +102 0 0 +103 0 0 +104 1 0 +105 0 0 +106 0 0 +107 0 0 +108 0 0 +109 1 0 +110 0 0 +111 0 0 +112 1 0 +113 0 0 +114 0 0 +115 0 0 +116 1 0 +117 0 0 +118 1 0 +119 0 0 +120 0 0 +121 0 1 +122 0 0 +123 0 0 +124 0 0 +125 0 0 +126 0 0 +127 1 0 +128 0 0 +129 0 0 +130 1 0 +131 1 0 +132 0 0 +133 0 0 +134 1 0 +135 1 0 +136 1 0 +137 0 0 +138 0 0 +139 1 0 +140 0 0 +141 0 0 +142 0 0 +143 0 0 +144 1 0 +145 1 0 +146 0 0 +147 1 0 +148 1 0 +149 0 0 +150 1 0 +151 0 0 +152 0 0 +153 0 0 +154 1 0 +155 1 0 +156 1 0 +157 0 0 +158 0 0 +159 1 0 +160 0 0 +161 0 0 +162 0 0 +163 1 0 +164 0 0 +165 1 0 +166 1 0 +167 1 0 +168 0 0 +169 0 0 +170 1 0 +171 0 0 +172 0 1 +173 0 0 +174 1 0 +175 0 0 +176 0 0 +177 0 0 +178 1 0 +179 0 0 +180 0 1 +181 0 0 +182 1 0 +183 0 0 +184 0 0 +185 0 0 +186 1 0 +187 0 0 +188 0 0 +189 0 0 +190 0 0 +191 0 0 +192 0 0 +193 0 0 +194 0 0 +195 1 0 +196 1 0 +197 0 0 +198 1 0 +199 0 0 +200 0 0 +201 0 0 +202 0 0 +203 0 0 +204 0 0 +205 0 0 +206 0 0 +207 0 0 +208 1 0 +209 1 0 +210 0 0 +211 0 0 +212 0 0 +213 1 0 +214 0 0 +215 1 0 +216 0 0 +217 1 0 +218 0 0 +219 0 0 +220 0 0 +221 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_BCLXL_1LXLA_1R2DA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_BCLXL_1LXLA_1R2DA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..cf752787992565d9e5f5d978e1a6f2a555f05490 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_BCLXL_1LXLA_1R2DA/state_region_FINAL.tsv @@ -0,0 +1,146 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +5 1 2.492 1 0 +6 2 3.571 0 1 +7 3 3.030 0 1 +8 4 2.077 1 0 +9 5 0.996 1 0 +10 6 0.614 1 0 +11 7 0.482 1 0 +12 8 0.893 1 0 +13 9 1.028 1 0 +14 10 0.675 1 0 +15 11 0.685 1 0 +16 12 1.120 1 0 +17 13 1.158 1 0 +18 14 0.731 1 0 +19 15 0.747 1 0 +20 16 1.124 1 0 +21 17 1.331 1 0 +22 18 0.785 1 0 +23 19 2.076 1 0 +24 20 3.725 0 1 +25 21 3.883 0 1 +26 22 3.644 0 1 +27 23 3.442 0 1 +28 24 2.789 1 0 +29 25 3.473 0 1 +30 26 4.721 0 1 +31 27 4.567 0 1 +86 82 5.454 0 1 +87 83 1.081 1 0 +88 84 0.877 1 0 +89 85 0.858 1 0 +90 86 0.744 1 0 +91 87 0.364 1 0 +92 88 0.681 1 0 +93 89 0.780 1 0 +94 90 1.176 1 0 +95 91 0.995 1 0 +96 92 0.830 1 0 +97 93 0.991 1 0 +98 94 1.592 1 0 +99 95 1.505 1 0 +100 96 0.836 1 0 +101 97 1.256 1 0 +102 98 1.633 1 0 +103 99 2.070 1 0 +104 100 1.934 1 0 +105 101 3.116 0 1 +106 102 3.818 0 1 +107 103 4.248 0 1 +108 104 6.900 0 1 +109 105 1.561 1 0 +110 106 2.042 1 0 +111 107 1.904 1 0 +112 108 1.390 1 0 +113 109 1.013 1 0 +114 110 1.739 1 0 +115 111 0.896 1 0 +116 112 0.532 1 0 +117 113 1.216 1 0 +118 114 1.677 1 0 +119 115 1.977 1 0 +120 116 2.430 1 0 +121 117 1.440 1 0 +122 118 1.270 1 0 +123 119 2.170 1 0 +124 120 0.813 1 0 +125 121 2.064 1 0 +126 122 1.326 1 0 +127 123 0.659 1 0 +128 124 0.634 1 0 +129 125 0.287 1 0 +130 126 0.974 1 0 +131 127 0.905 1 0 +132 128 1.358 1 0 +133 129 1.975 1 0 +134 130 1.596 1 0 +135 131 2.374 1 0 +136 132 2.879 1 0 +137 133 1.870 1 0 +138 134 1.811 1 0 +139 135 1.395 1 0 +140 136 0.833 1 0 +141 137 0.733 1 0 +142 138 0.503 1 0 +143 139 0.633 1 0 +144 140 0.414 1 0 +145 141 0.568 1 0 +146 142 0.680 1 0 +147 143 0.442 1 0 +148 144 0.442 1 0 +149 145 0.493 1 0 +150 146 0.423 1 0 +151 147 0.605 1 0 +152 148 1.191 1 0 +153 149 1.633 1 0 +154 150 0.823 1 0 +155 151 0.920 1 0 +156 152 1.904 1 0 +157 153 1.489 1 0 +158 154 1.437 1 0 +159 155 2.455 1 0 +160 156 4.076 0 1 +161 157 5.620 0 1 +162 158 4.631 0 1 +163 159 2.415 1 0 +164 160 1.847 1 0 +165 161 1.414 1 0 +166 162 1.256 1 0 +167 163 1.368 1 0 +168 164 1.372 1 0 +169 165 1.220 1 0 +170 166 0.682 1 0 +171 167 0.757 1 0 +172 168 1.036 1 0 +173 169 0.942 1 0 +174 170 0.632 1 0 +175 171 0.575 1 0 +176 172 0.621 1 0 +177 173 0.739 1 0 +178 174 0.601 1 0 +179 175 0.891 1 0 +180 176 1.290 1 0 +181 177 1.309 1 0 +182 178 0.877 1 0 +183 179 0.737 1 0 +184 180 1.037 1 0 +185 181 0.734 1 0 +186 182 0.348 1 0 +187 183 0.726 1 0 +188 184 0.513 1 0 +189 185 1.197 1 0 +190 186 1.251 1 0 +191 187 0.881 1 0 +192 188 0.444 1 0 +193 189 0.492 1 0 +194 190 0.582 1 0 +195 191 1.021 1 0 +196 192 1.077 1 0 +197 193 1.307 1 0 +198 194 1.125 1 0 +199 195 1.687 1 0 +200 196 2.557 1 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_CALBD9K_4ICBA_1HT9A/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_CALBD9K_4ICBA_1HT9A/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..ff53ecd14a602b9c0503b5fbd76d22ec4f4cebb3 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_CALBD9K_4ICBA_1HT9A/state_region_BLIND_proxy.tsv @@ -0,0 +1,78 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 0 0 +7 1 0 +8 0 0 +9 0 1 +10 1 0 +11 1 0 +12 0 1 +13 0 1 +14 0 0 +15 0 0 +16 0 1 +17 0 0 +18 0 0 +19 0 0 +20 0 0 +21 0 0 +22 0 0 +23 0 1 +24 1 0 +25 0 0 +26 0 0 +27 0 1 +28 0 0 +29 1 0 +30 0 0 +31 0 1 +32 1 0 +33 1 0 +34 0 1 +35 0 1 +36 0 0 +37 1 0 +38 0 1 +39 0 1 +40 1 1 +41 0 1 +42 0 1 +43 0 0 +44 0 1 +45 0 1 +46 0 1 +47 1 0 +48 0 0 +49 0 0 +50 1 0 +51 0 0 +52 0 0 +53 0 0 +54 1 0 +55 0 0 +56 1 1 +57 0 0 +58 0 0 +59 0 0 +60 0 0 +61 0 0 +62 1 0 +63 0 0 +64 1 0 +65 0 0 +66 0 0 +67 1 0 +68 0 0 +69 0 1 +70 1 0 +71 1 0 +72 0 0 +73 0 0 +74 1 0 +75 0 0 +76 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_CALBD9K_4ICBA_1HT9A/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_CALBD9K_4ICBA_1HT9A/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..4593c2c81ec90e8e0ae62433547754b13bbf680b --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_CALBD9K_4ICBA_1HT9A/state_region_FINAL.tsv @@ -0,0 +1,80 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 0 1.169 1 0 +2 1 1.236 1 0 +3 2 1.078 1 0 +4 3 0.633 1 0 +5 4 0.869 1 0 +6 5 0.976 1 0 +7 6 0.725 1 0 +8 7 0.311 1 0 +9 8 0.410 1 0 +10 9 0.848 1 0 +11 10 0.740 1 0 +12 11 0.430 1 0 +13 12 0.439 1 0 +14 13 0.315 1 0 +15 14 0.311 1 0 +16 15 0.090 1 0 +17 16 0.342 1 0 +18 17 0.469 1 0 +19 18 1.050 1 0 +20 19 1.199 1 0 +21 20 0.480 1 0 +22 21 0.727 1 0 +23 22 0.804 1 0 +24 23 0.545 1 0 +25 24 0.245 1 0 +26 25 0.353 1 0 +27 26 0.422 1 0 +28 27 0.255 1 0 +29 28 0.355 1 0 +30 29 0.338 1 0 +31 30 0.209 1 0 +32 31 0.384 1 0 +33 32 0.284 1 0 +34 33 0.188 1 0 +35 34 0.403 1 0 +36 35 0.436 1 0 +37 36 0.200 1 0 +38 37 0.380 1 0 +39 38 0.806 1 0 +40 39 0.900 1 0 +41 40 1.252 1 0 +42 41 0.407 1 0 +43 42 2.207 1 0 +44 43 2.775 1 0 +45 44 3.779 0 1 +46 45 5.824 0 1 +47 46 12.643 0 1 +48 47 13.023 0 1 +49 48 6.214 0 1 +50 49 8.491 0 1 +51 50 13.604 0 1 +52 51 10.095 0 1 +53 52 4.758 0 1 +54 53 11.575 0 1 +55 54 13.829 0 1 +56 55 9.238 0 1 +57 56 14.716 0 1 +58 57 18.292 0 1 +59 58 24.855 0 1 +60 59 25.328 0 1 +61 60 26.504 0 1 +62 61 23.459 0 1 +63 62 26.778 0 1 +64 63 29.775 0 1 +65 64 24.540 0 1 +66 65 18.990 0 1 +67 66 23.268 0 1 +68 67 25.189 0 1 +69 68 19.690 0 1 +70 69 22.461 0 1 +71 70 29.634 0 1 +72 71 30.026 0 1 +73 72 27.580 0 1 +74 73 32.094 0 1 +75 74 38.198 0 1 +76 75 41.130 0 1 diff --git a/bench/main_benchmark/annotations/SFB_OL_CCL2_1DOKA_1DOMA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_CCL2_1DOKA_1DOMA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..aab726353aee55c3a976c8b318bfe0bc3fd8c474 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_CCL2_1DOKA_1DOMA/state_region_BLIND_proxy.tsv @@ -0,0 +1,74 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 0 0 +7 0 0 +8 0 0 +9 0 0 +10 0 1 +11 0 1 +12 1 0 +13 1 0 +14 0 0 +15 0 1 +16 1 0 +17 0 0 +18 0 1 +19 0 0 +20 0 0 +21 1 0 +22 0 0 +23 1 1 +24 0 1 +25 0 1 +26 1 0 +27 0 1 +28 0 0 +29 0 0 +30 0 1 +31 0 1 +32 1 0 +33 0 0 +34 0 0 +35 0 0 +36 0 1 +37 1 0 +38 0 0 +39 0 1 +40 0 0 +41 0 0 +42 1 0 +43 1 0 +44 1 0 +45 0 1 +46 0 0 +47 1 0 +48 0 0 +49 0 0 +50 0 0 +51 0 1 +52 1 0 +53 1 0 +54 0 0 +55 0 0 +56 0 0 +57 1 0 +58 0 1 +59 1 1 +60 0 0 +61 1 0 +62 0 0 +63 0 0 +64 0 1 +65 0 0 +66 0 0 +67 0 1 +68 1 0 +69 0 0 +70 0 0 +71 0 0 +72 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_CCL2_1DOKA_1DOMA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_CCL2_1DOKA_1DOMA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..10fb0c2330b69277f50f7b00590c09a16efccb13 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_CCL2_1DOKA_1DOMA/state_region_FINAL.tsv @@ -0,0 +1,75 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +2 1 10.382 0 1 +3 2 7.310 0 1 +4 3 6.811 0 1 +5 4 3.850 0 1 +6 5 2.922 1 0 +7 6 1.172 1 0 +8 7 1.998 1 0 +9 8 1.386 1 0 +10 9 1.011 1 0 +11 10 1.184 1 0 +12 11 0.438 1 0 +13 12 1.135 1 0 +14 13 1.277 1 0 +15 14 0.709 1 0 +16 15 0.972 1 0 +17 16 1.324 1 0 +18 17 1.720 1 0 +19 18 1.015 1 0 +20 19 1.182 1 0 +21 20 0.321 1 0 +22 21 0.249 1 0 +23 22 0.668 1 0 +24 23 0.990 1 0 +25 24 1.074 1 0 +26 25 0.928 1 0 +27 26 0.799 1 0 +28 27 0.514 1 0 +29 28 0.616 1 0 +30 29 0.807 1 0 +31 30 1.082 1 0 +32 31 1.255 1 0 +33 32 1.330 1 0 +34 33 0.841 1 0 +35 34 1.034 1 0 +36 35 0.686 1 0 +37 36 0.696 1 0 +38 37 0.776 1 0 +39 38 1.280 1 0 +40 39 1.313 1 0 +41 40 0.778 1 0 +42 41 0.752 1 0 +43 42 0.959 1 0 +44 43 0.626 1 0 +45 44 0.382 1 0 +46 45 0.845 1 0 +47 46 0.998 1 0 +48 47 1.164 1 0 +49 48 1.104 1 0 +50 49 0.913 1 0 +51 50 0.966 1 0 +52 51 0.776 1 0 +53 52 0.980 1 0 +54 53 0.301 1 0 +55 54 0.263 1 0 +56 55 0.720 1 0 +57 56 0.725 1 0 +58 57 0.332 1 0 +59 58 0.910 1 0 +60 59 0.661 1 0 +61 60 0.491 1 0 +62 61 1.175 1 0 +63 62 0.610 1 0 +64 63 0.527 1 0 +65 64 1.329 1 0 +66 65 1.215 1 0 +67 66 0.850 1 0 +68 67 1.196 1 0 +69 68 2.215 1 0 +70 69 2.207 1 0 +71 70 2.290 1 0 +72 71 3.288 0 1 diff --git a/bench/main_benchmark/annotations/SFB_OL_CVN_1IIYA_3EZMA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_CVN_1IIYA_3EZMA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..74487251812fd94639f8ea2ced49bae4706d360b --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_CVN_1IIYA_3EZMA/state_region_BLIND_proxy.tsv @@ -0,0 +1,103 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 1 0 +5 0 0 +6 0 1 +7 0 0 +8 1 0 +9 0 0 +10 0 0 +11 0 0 +12 0 1 +13 1 0 +14 0 0 +15 0 0 +16 0 1 +17 1 0 +18 1 0 +19 0 1 +20 0 0 +21 0 1 +22 1 0 +23 0 0 +24 0 0 +25 0 1 +26 0 0 +27 0 0 +28 0 1 +29 0 0 +30 0 1 +31 0 1 +32 0 0 +33 0 0 +34 1 0 +35 0 0 +36 1 0 +37 0 0 +38 0 1 +39 1 0 +40 1 0 +41 0 0 +42 0 0 +43 1 1 +44 1 0 +45 0 0 +46 0 1 +47 1 0 +48 0 1 +49 0 0 +50 0 0 +51 0 0 +52 0 0 +53 0 0 +54 1 0 +55 1 1 +56 0 1 +57 0 0 +58 1 0 +59 0 0 +60 0 0 +61 0 0 +62 0 0 +63 1 0 +64 0 1 +65 0 0 +66 0 0 +67 0 1 +68 0 1 +69 1 0 +70 0 1 +71 0 0 +72 0 0 +73 1 0 +74 0 0 +75 0 0 +76 1 1 +77 0 0 +78 0 0 +79 0 1 +80 0 0 +81 1 1 +82 0 1 +83 0 0 +84 0 0 +85 1 0 +86 0 0 +87 1 0 +88 0 0 +89 0 0 +90 0 0 +91 1 0 +92 0 1 +93 0 0 +94 1 1 +95 0 0 +96 0 0 +97 0 1 +98 1 0 +99 0 0 +100 0 0 +101 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_CVN_1IIYA_3EZMA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_CVN_1IIYA_3EZMA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..482f98a697ee7259b15a5a2ed940fc2019206728 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_CVN_1IIYA_3EZMA/state_region_FINAL.tsv @@ -0,0 +1,105 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 28.520 0 1 +2 2 24.121 0 1 +3 3 28.810 0 1 +4 4 24.733 0 1 +5 5 29.362 0 1 +6 6 34.871 0 1 +7 7 31.763 0 1 +8 8 27.609 0 1 +9 9 30.862 0 1 +10 10 30.916 0 1 +11 11 26.286 0 1 +12 12 26.314 0 1 +13 13 23.816 0 1 +14 14 25.901 0 1 +15 15 24.835 0 1 +16 16 17.452 0 1 +17 17 15.434 0 1 +18 18 15.173 0 1 +19 19 16.649 0 1 +20 20 19.560 0 1 +21 21 21.125 0 1 +22 22 22.013 0 1 +23 23 26.112 0 1 +24 24 24.397 0 1 +25 25 30.390 0 1 +26 26 30.825 0 1 +27 27 30.640 0 1 +28 28 25.488 0 1 +29 29 21.906 0 1 +30 30 15.056 0 1 +31 31 13.702 0 1 +32 32 8.707 0 1 +33 33 8.748 0 1 +34 34 5.299 0 1 +35 35 8.607 0 1 +36 36 6.726 0 1 +37 37 10.356 0 1 +38 38 8.622 0 1 +39 39 4.154 0 1 +40 40 5.359 0 1 +41 41 7.414 0 1 +42 42 11.984 0 1 +43 43 9.148 0 1 +44 44 14.271 0 1 +45 45 19.330 0 1 +46 46 16.303 0 1 +47 47 13.322 0 1 +48 48 8.585 0 1 +49 49 7.539 0 1 +50 50 5.672 0 1 +51 51 7.734 0 1 +52 52 10.755 0 1 +53 53 9.919 0 1 +54 54 7.754 0 1 +55 55 8.255 0 1 +56 56 7.093 0 1 +57 57 4.579 0 1 +58 58 5.875 0 1 +59 59 7.563 0 1 +60 60 9.865 0 1 +61 61 11.005 0 1 +62 62 13.463 0 1 +63 63 15.000 0 1 +64 64 15.436 0 1 +65 65 17.214 0 1 +66 66 17.995 0 1 +67 67 16.217 0 1 +68 68 13.935 0 1 +69 69 11.908 0 1 +70 70 10.729 0 1 +71 71 9.125 0 1 +72 72 7.216 0 1 +73 73 4.537 0 1 +74 74 1.998 1 0 +75 75 2.219 1 0 +76 76 3.939 0 1 +77 77 5.676 0 1 +78 78 3.516 0 1 +79 79 4.606 0 1 +80 80 4.963 0 1 +81 81 6.364 0 1 +82 82 8.173 0 1 +83 83 7.709 0 1 +84 84 9.496 0 1 +85 85 10.177 0 1 +86 86 12.657 0 1 +87 87 13.913 0 1 +88 88 15.596 0 1 +89 89 13.901 0 1 +90 90 14.916 0 1 +91 91 16.613 0 1 +92 92 19.130 0 1 +93 93 22.193 0 1 +94 94 23.515 0 1 +95 95 26.660 0 1 +96 96 25.629 0 1 +97 97 23.883 0 1 +98 98 21.235 0 1 +99 99 20.072 0 1 +100 100 17.086 0 1 +101 101 16.735 0 1 diff --git a/bench/main_benchmark/annotations/SFB_OL_CYSTC_3GAXA_1TIJA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_CYSTC_3GAXA_1TIJA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..632785f8056ebc40129754d62b986698e0bd32af --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_CYSTC_3GAXA_1TIJA/state_region_BLIND_proxy.tsv @@ -0,0 +1,109 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 1 +4 0 0 +5 0 0 +6 0 0 +7 1 1 +8 0 0 +9 0 0 +10 0 0 +11 0 0 +12 1 0 +13 0 0 +14 0 1 +15 1 0 +16 1 0 +17 0 1 +18 1 0 +19 1 0 +20 1 0 +21 0 1 +22 0 0 +23 0 0 +24 0 0 +25 0 0 +26 0 1 +27 0 0 +28 0 0 +29 0 0 +30 0 1 +31 0 0 +32 0 1 +33 0 0 +34 0 0 +35 0 0 +36 1 0 +37 0 0 +38 1 0 +39 1 0 +40 0 0 +41 0 0 +42 0 0 +43 0 0 +44 0 0 +45 1 0 +46 1 0 +47 0 0 +48 0 0 +49 1 0 +50 0 0 +51 0 0 +52 0 1 +53 1 0 +54 0 0 +55 1 0 +56 0 0 +57 1 0 +58 1 0 +59 0 0 +60 0 0 +61 0 1 +62 1 0 +63 0 0 +64 0 0 +65 0 1 +66 0 0 +67 1 0 +68 0 1 +69 0 0 +70 1 0 +71 0 0 +72 0 0 +73 0 0 +74 0 1 +75 0 1 +76 0 0 +77 0 1 +78 0 0 +79 0 1 +80 0 0 +81 0 1 +82 0 1 +83 0 1 +84 1 0 +85 0 1 +86 1 0 +87 0 0 +88 1 0 +89 0 0 +90 0 1 +91 1 0 +92 0 0 +93 0 0 +94 0 1 +95 0 0 +96 0 1 +97 1 1 +98 0 1 +99 1 0 +100 0 0 +101 0 0 +102 0 1 +103 0 1 +104 1 0 +105 0 0 +106 0 0 +107 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_CYSTC_3GAXA_1TIJA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_CYSTC_3GAXA_1TIJA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..64f7cc14e8916f9732f802a6b35bd6c88ca04600 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_CYSTC_3GAXA_1TIJA/state_region_FINAL.tsv @@ -0,0 +1,111 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 12 27.217 0 1 +2 13 27.190 0 1 +3 14 28.159 0 1 +4 15 33.094 0 1 +5 16 31.642 0 1 +6 17 36.874 0 1 +7 18 40.991 0 1 +8 19 40.134 0 1 +9 20 33.499 0 1 +10 21 34.408 0 1 +11 22 29.076 0 1 +12 23 33.314 0 1 +13 24 39.431 0 1 +14 25 36.368 0 1 +15 26 33.094 0 1 +16 27 40.208 0 1 +17 28 43.654 0 1 +18 29 38.301 0 1 +19 30 39.214 0 1 +20 31 46.613 0 1 +21 32 45.569 0 1 +22 33 41.163 0 1 +23 34 46.425 0 1 +24 35 51.818 0 1 +25 36 47.636 0 1 +26 37 46.457 0 1 +27 38 53.566 0 1 +28 39 58.547 0 1 +29 40 64.026 0 1 +30 41 67.404 0 1 +31 42 67.986 0 1 +32 43 63.330 0 1 +33 44 61.477 0 1 +34 45 59.210 0 1 +35 46 56.574 0 1 +36 47 62.517 0 1 +37 48 58.118 0 1 +38 49 50.914 0 1 +39 50 52.405 0 1 +40 51 45.537 0 1 +41 52 38.373 0 1 +42 53 32.325 0 1 +43 54 25.025 0 1 +44 55 19.461 0 1 +45 56 12.037 0 1 +46 57 9.241 0 1 +47 58 4.750 0 1 +48 59 0.095 1 0 +49 60 0.250 1 0 +50 61 0.375 1 0 +51 62 0.414 1 0 +52 63 0.470 1 0 +53 64 0.337 1 0 +54 65 0.497 1 0 +55 66 0.674 1 0 +56 67 0.712 1 0 +57 68 0.654 1 0 +58 69 0.875 1 0 +59 70 0.803 1 0 +60 71 0.992 1 0 +61 72 1.506 1 0 +62 73 1.335 1 0 +63 74 0.836 1 0 +64 75 1.172 1 0 +65 76 2.135 1 0 +66 77 2.258 1 0 +67 80 2.167 1 0 +68 81 4.375 0 1 +69 82 2.653 1 0 +70 83 1.037 1 0 +71 84 0.868 1 0 +72 85 0.574 1 0 +73 86 0.810 1 0 +74 87 2.080 1 0 +75 88 3.436 0 1 +76 89 4.277 0 1 +77 90 4.040 0 1 +78 91 2.010 1 0 +79 92 2.114 1 0 +80 93 1.535 1 0 +81 94 0.718 1 0 +82 95 0.355 1 0 +83 96 0.454 1 0 +84 97 0.571 1 0 +85 98 0.362 1 0 +86 99 0.297 1 0 +87 100 0.230 1 0 +88 101 0.138 1 0 +89 102 0.149 1 0 +90 103 0.251 1 0 +91 104 0.261 1 0 +92 105 0.729 1 0 +93 106 0.543 1 0 +94 107 1.176 1 0 +95 108 1.494 1 0 +96 109 1.505 1 0 +97 110 0.686 1 0 +98 111 0.684 1 0 +99 112 0.313 1 0 +100 113 0.444 1 0 +101 114 0.678 1 0 +102 115 1.100 1 0 +103 116 0.736 1 0 +104 117 0.682 1 0 +105 118 0.951 1 0 +106 119 1.832 1 0 +107 120 2.633 1 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_DTOX_1F0LA_1DDTA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_DTOX_1F0LA_1DDTA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..d97b3fa2a3cdcdea575fdea20b51268be3c58abf --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_DTOX_1F0LA_1DDTA/state_region_BLIND_proxy.tsv @@ -0,0 +1,524 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 1 +2 0 1 +3 0 1 +4 0 0 +5 0 1 +6 0 0 +7 0 0 +8 0 1 +9 0 1 +10 0 0 +11 0 0 +12 0 1 +13 1 0 +14 0 1 +15 0 0 +16 0 0 +17 0 0 +18 0 1 +19 0 0 +20 0 0 +21 0 0 +22 0 0 +23 0 0 +24 0 0 +25 0 0 +26 0 1 +27 0 0 +28 1 1 +29 0 1 +30 0 0 +31 1 1 +32 0 1 +33 0 0 +34 0 0 +35 1 0 +36 0 1 +37 0 0 +38 0 0 +39 0 1 +40 0 0 +41 0 0 +42 0 1 +43 0 0 +44 0 0 +45 0 0 +46 0 0 +47 0 0 +48 0 1 +49 0 1 +50 0 0 +51 0 0 +52 0 0 +53 1 0 +54 0 0 +55 0 1 +56 0 0 +57 0 0 +58 0 1 +59 0 0 +60 0 0 +61 0 1 +62 0 0 +63 0 0 +64 0 0 +65 0 0 +66 0 1 +67 1 0 +68 0 0 +69 0 1 +70 0 0 +71 0 0 +72 0 0 +73 0 1 +74 0 0 +75 0 0 +76 0 0 +77 0 0 +78 0 0 +79 0 0 +80 1 0 +81 1 0 +82 0 0 +83 1 0 +84 0 1 +85 0 0 +86 0 0 +87 0 0 +88 0 1 +89 0 0 +90 0 0 +91 1 1 +92 1 0 +93 0 0 +94 1 0 +95 0 0 +96 1 1 +97 0 1 +98 0 1 +99 1 0 +100 1 1 +101 0 1 +102 1 0 +103 0 0 +104 0 1 +105 0 0 +106 1 0 +107 0 0 +108 1 0 +109 0 1 +110 1 0 +111 0 0 +112 0 0 +113 0 0 +114 1 0 +115 0 0 +116 0 0 +117 0 0 +118 1 0 +119 0 0 +120 0 1 +121 0 0 +122 0 0 +123 1 0 +124 1 0 +125 0 0 +126 0 0 +127 1 0 +128 0 0 +129 0 0 +130 0 0 +131 0 0 +132 0 0 +133 0 0 +134 1 0 +135 1 0 +136 1 0 +137 0 0 +138 1 0 +139 0 0 +140 0 0 +141 0 0 +142 0 0 +143 0 0 +144 0 0 +145 0 0 +146 0 1 +147 1 0 +148 0 0 +149 1 0 +150 1 0 +151 0 0 +152 0 0 +153 0 0 +154 0 0 +155 0 1 +156 0 0 +157 0 0 +158 0 1 +159 1 0 +160 0 0 +161 1 0 +162 0 0 +163 1 1 +164 0 0 +165 1 0 +166 0 0 +167 1 0 +168 0 0 +169 0 1 +170 0 1 +171 0 0 +172 0 0 +173 0 0 +174 0 0 +175 0 0 +176 0 0 +177 0 0 +178 0 0 +179 0 0 +180 0 0 +181 0 0 +182 0 0 +183 0 0 +184 0 0 +185 0 1 +186 1 0 +187 0 1 +188 1 0 +189 1 1 +190 0 0 +191 1 1 +192 0 0 +193 0 0 +194 0 0 +195 0 1 +196 1 0 +197 0 0 +198 0 1 +199 0 0 +200 0 0 +201 0 0 +202 0 1 +203 0 0 +204 1 0 +205 1 0 +206 0 0 +207 1 0 +208 0 0 +209 0 0 +210 0 1 +211 0 1 +212 0 1 +213 1 0 +214 0 0 +215 0 0 +216 0 0 +217 0 1 +218 0 0 +219 1 0 +220 0 1 +221 0 1 +222 0 1 +223 0 1 +224 0 0 +225 1 0 +226 0 1 +227 0 0 +228 0 0 +229 0 0 +230 0 0 +231 0 0 +232 0 0 +233 0 0 +234 1 0 +235 0 0 +236 0 1 +237 1 0 +238 0 0 +239 0 1 +240 0 1 +241 0 0 +242 0 0 +243 0 0 +244 0 0 +245 0 0 +246 0 0 +247 1 0 +248 0 0 +249 0 0 +250 1 0 +251 0 0 +252 0 1 +253 1 0 +254 0 1 +255 0 1 +256 0 1 +257 0 1 +258 0 1 +259 1 0 +260 0 1 +261 0 0 +262 0 0 +263 0 0 +264 0 0 +265 0 0 +266 1 0 +267 0 0 +268 0 0 +269 1 0 +270 1 0 +271 0 0 +272 1 0 +273 1 0 +274 0 0 +275 1 0 +276 1 1 +277 0 0 +278 0 0 +279 0 1 +280 0 0 +281 0 0 +282 0 0 +283 0 0 +284 1 0 +285 0 0 +286 0 0 +287 0 0 +288 0 0 +289 0 0 +290 0 0 +291 1 0 +292 0 0 +293 1 0 +294 1 0 +295 0 0 +296 0 0 +297 1 0 +298 0 0 +299 0 0 +300 1 0 +301 0 0 +302 0 0 +303 1 0 +304 0 0 +305 0 0 +306 0 0 +307 0 0 +308 0 1 +309 0 0 +310 0 0 +311 0 0 +312 0 0 +313 0 0 +314 0 0 +315 1 0 +316 1 0 +317 0 0 +318 0 0 +319 0 0 +320 1 0 +321 0 0 +322 1 0 +323 0 0 +324 0 0 +325 1 0 +326 0 0 +327 1 0 +328 0 0 +329 0 0 +330 0 0 +331 1 0 +332 0 0 +333 1 0 +334 1 0 +335 0 0 +336 0 0 +337 1 0 +338 1 1 +339 0 0 +340 1 0 +341 0 0 +342 0 0 +343 0 0 +344 0 0 +345 1 0 +346 1 0 +347 0 0 +348 0 0 +349 1 0 +350 1 0 +351 0 0 +352 1 0 +353 1 1 +354 0 0 +355 1 0 +356 1 1 +357 0 1 +358 0 1 +359 0 0 +360 0 1 +361 0 0 +362 0 0 +363 0 0 +364 0 1 +365 0 1 +366 0 0 +367 0 1 +368 0 1 +369 0 0 +370 0 1 +371 0 1 +372 0 1 +373 0 0 +374 0 1 +375 0 1 +376 0 0 +377 0 1 +378 0 0 +379 0 0 +380 0 1 +381 1 0 +382 0 0 +383 0 0 +384 0 0 +385 0 0 +386 1 1 +387 0 0 +388 0 0 +389 0 0 +390 1 1 +391 1 0 +392 0 1 +393 0 0 +394 0 0 +395 1 1 +396 0 0 +397 0 0 +398 0 1 +399 0 0 +400 0 0 +401 0 0 +402 0 1 +403 1 0 +404 0 1 +405 1 0 +406 0 0 +407 0 0 +408 0 0 +409 0 0 +410 0 0 +411 0 1 +412 1 0 +413 0 0 +414 1 0 +415 0 0 +416 0 0 +417 1 1 +418 1 0 +419 1 1 +420 0 1 +421 0 1 +422 1 1 +423 0 1 +424 0 0 +425 0 1 +426 1 0 +427 1 0 +428 1 0 +429 0 0 +430 0 1 +431 0 0 +432 0 0 +433 0 0 +434 0 0 +435 1 0 +436 0 0 +437 1 0 +438 0 0 +439 0 0 +440 0 1 +441 0 0 +442 1 0 +443 0 0 +444 1 0 +445 0 1 +446 1 0 +447 0 0 +448 0 0 +449 1 0 +450 0 1 +451 0 1 +452 0 1 +453 1 1 +454 0 0 +455 1 0 +456 1 0 +457 0 0 +458 0 0 +459 0 1 +460 0 1 +461 0 0 +462 1 0 +463 0 0 +464 1 0 +465 0 0 +466 0 1 +467 0 1 +468 1 1 +469 0 1 +470 0 0 +471 0 1 +472 1 0 +473 0 0 +474 1 0 +475 0 0 +476 1 0 +477 0 1 +478 0 1 +479 0 1 +480 0 0 +481 0 1 +482 0 0 +483 0 0 +484 1 0 +485 0 1 +486 0 0 +487 0 1 +488 0 1 +489 1 0 +490 0 1 +491 0 1 +492 0 1 +493 0 1 +494 1 1 +495 0 1 +496 1 0 +497 1 0 +498 0 0 +499 0 0 +500 0 0 +501 0 0 +502 0 1 +503 1 0 +504 0 0 +505 0 1 +506 0 1 +507 0 1 +508 1 1 +509 0 0 +510 0 1 +511 0 0 +512 1 1 +513 0 0 +514 1 0 +515 1 1 +516 1 1 +517 0 0 +518 1 1 +519 0 0 +520 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_DTOX_1F0LA_1DDTA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_DTOX_1F0LA_1DDTA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..4f357337cd60e9e6e179053ad15644be513fd1dc --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_DTOX_1F0LA_1DDTA/state_region_FINAL.tsv @@ -0,0 +1,524 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 2.152 1 0 +2 2 1.548 1 0 +3 3 1.318 1 0 +4 4 1.455 1 0 +5 5 0.858 1 0 +6 6 0.787 1 0 +7 7 0.848 1 0 +8 8 0.971 1 0 +9 9 1.646 1 0 +10 10 1.307 1 0 +11 11 0.584 1 0 +12 12 0.909 1 0 +13 13 0.804 1 0 +14 14 0.644 1 0 +15 15 0.724 1 0 +16 16 0.731 1 0 +17 17 0.502 1 0 +18 18 0.499 1 0 +19 19 0.351 1 0 +20 20 0.325 1 0 +21 21 0.198 1 0 +22 22 0.190 1 0 +23 23 0.277 1 0 +24 24 0.329 1 0 +25 25 0.293 1 0 +26 26 0.235 1 0 +27 27 0.384 1 0 +28 28 0.336 1 0 +29 29 0.350 1 0 +30 30 0.471 1 0 +31 31 0.247 1 0 +32 32 0.318 1 0 +33 33 0.370 1 0 +34 34 0.646 1 0 +35 35 0.505 1 0 +36 36 0.575 1 0 +37 37 0.597 1 0 +38 38 0.868 1 0 +39 39 0.920 1 0 +40 40 2.475 1 0 +41 41 1.170 1 0 +42 42 0.910 1 0 +43 43 0.575 1 0 +44 44 0.459 1 0 +45 45 0.627 1 0 +46 46 0.894 1 0 +47 47 0.637 1 0 +48 48 0.483 1 0 +49 49 0.467 1 0 +50 50 0.437 1 0 +51 51 0.434 1 0 +52 52 0.424 1 0 +53 53 0.354 1 0 +54 54 0.374 1 0 +55 55 0.218 1 0 +56 56 0.399 1 0 +57 57 0.323 1 0 +58 58 0.348 1 0 +59 59 0.289 1 0 +60 60 0.308 1 0 +61 61 0.239 1 0 +62 62 0.183 1 0 +63 63 0.180 1 0 +64 64 0.498 1 0 +65 65 0.392 1 0 +66 66 0.356 1 0 +67 67 0.291 1 0 +68 68 0.457 1 0 +69 69 0.588 1 0 +70 70 0.174 1 0 +71 71 0.209 1 0 +72 72 0.288 1 0 +73 73 0.332 1 0 +74 74 0.150 1 0 +75 75 0.394 1 0 +76 76 0.306 1 0 +77 77 0.148 1 0 +78 78 0.400 1 0 +79 79 0.159 1 0 +80 80 0.147 1 0 +81 81 0.356 1 0 +82 82 0.272 1 0 +83 83 0.264 1 0 +84 84 0.354 1 0 +85 85 0.500 1 0 +86 86 0.582 1 0 +87 87 0.908 1 0 +88 88 0.661 1 0 +89 89 0.430 1 0 +90 90 0.487 1 0 +91 91 0.458 1 0 +92 92 0.481 1 0 +93 93 0.383 1 0 +94 94 0.218 1 0 +95 95 0.324 1 0 +96 96 0.538 1 0 +97 97 0.625 1 0 +98 98 0.606 1 0 +99 99 0.438 1 0 +100 100 0.424 1 0 +101 101 0.350 1 0 +102 102 0.235 1 0 +103 103 0.244 1 0 +104 104 0.355 1 0 +105 105 0.565 1 0 +106 106 0.649 1 0 +107 107 0.726 1 0 +108 108 0.231 1 0 +109 109 0.277 1 0 +110 110 0.336 1 0 +111 111 0.578 1 0 +112 112 0.639 1 0 +113 113 0.445 1 0 +114 114 0.361 1 0 +115 115 0.286 1 0 +116 116 0.498 1 0 +117 117 0.360 1 0 +118 118 0.413 1 0 +119 119 0.492 1 0 +120 120 0.598 1 0 +121 121 0.787 1 0 +122 122 0.543 1 0 +123 123 0.199 1 0 +124 124 0.445 1 0 +125 125 0.475 1 0 +126 126 0.715 1 0 +127 127 0.658 1 0 +128 128 0.521 1 0 +129 129 0.575 1 0 +130 130 0.606 1 0 +131 131 0.753 1 0 +132 132 0.746 1 0 +133 133 0.659 1 0 +134 134 0.429 1 0 +135 135 0.293 1 0 +136 136 0.266 1 0 +137 137 0.342 1 0 +138 138 0.296 1 0 +139 139 0.508 1 0 +140 140 0.457 1 0 +141 141 0.805 1 0 +142 142 0.835 1 0 +143 143 0.777 1 0 +144 144 0.835 1 0 +145 145 0.737 1 0 +146 146 0.479 1 0 +147 147 0.643 1 0 +148 148 0.425 1 0 +149 149 0.227 1 0 +150 150 0.183 1 0 +151 151 0.143 1 0 +152 152 0.207 1 0 +153 153 0.300 1 0 +154 154 0.471 1 0 +155 155 0.432 1 0 +156 156 0.300 1 0 +157 157 0.476 1 0 +158 158 0.595 1 0 +159 159 0.462 1 0 +160 160 0.465 1 0 +161 161 0.439 1 0 +162 162 0.436 1 0 +163 163 0.381 1 0 +164 164 0.365 1 0 +165 165 0.269 1 0 +166 166 0.131 1 0 +167 167 0.161 1 0 +168 168 0.162 1 0 +169 169 0.196 1 0 +170 170 0.391 1 0 +171 171 0.523 1 0 +172 172 0.341 1 0 +173 173 0.305 1 0 +174 174 0.229 1 0 +175 175 0.218 1 0 +176 176 0.266 1 0 +177 177 0.177 1 0 +178 178 0.174 1 0 +179 179 0.181 1 0 +180 180 0.191 1 0 +181 181 0.221 1 0 +182 182 0.185 1 0 +183 183 0.437 1 0 +184 184 0.426 1 0 +185 185 0.255 1 0 +186 186 0.672 1 0 +187 187 0.977 1 0 +188 201 0.451 1 0 +189 202 0.388 1 0 +190 203 0.874 1 0 +191 204 0.483 1 0 +192 205 0.536 1 0 +193 206 0.628 1 0 +194 207 0.629 1 0 +195 208 0.420 1 0 +196 209 0.635 1 0 +197 210 0.974 1 0 +198 211 1.000 1 0 +199 212 0.551 1 0 +200 213 0.531 1 0 +201 214 0.978 1 0 +202 215 0.993 1 0 +203 216 0.910 1 0 +204 217 1.063 1 0 +205 218 1.283 1 0 +206 219 1.224 1 0 +207 220 0.790 1 0 +208 221 1.026 1 0 +209 222 1.356 1 0 +210 223 1.237 1 0 +211 224 1.461 1 0 +212 225 0.949 1 0 +213 226 0.733 1 0 +214 227 0.618 1 0 +215 228 0.580 1 0 +216 229 0.530 1 0 +217 230 0.468 1 0 +218 231 0.681 1 0 +219 232 0.965 1 0 +220 233 0.786 1 0 +221 234 0.841 1 0 +222 235 0.646 1 0 +223 236 0.528 1 0 +224 237 1.284 1 0 +225 238 1.290 1 0 +226 239 1.079 1 0 +227 240 1.176 1 0 +228 241 0.792 1 0 +229 242 1.108 1 0 +230 243 0.744 1 0 +231 244 0.825 1 0 +232 245 0.615 1 0 +233 246 0.259 1 0 +234 247 0.396 1 0 +235 248 0.485 1 0 +236 249 0.438 1 0 +237 250 0.120 1 0 +238 251 0.311 1 0 +239 252 0.325 1 0 +240 253 0.456 1 0 +241 254 0.686 1 0 +242 255 0.841 1 0 +243 256 0.930 1 0 +244 257 0.986 1 0 +245 258 0.437 1 0 +246 259 0.463 1 0 +247 260 0.780 1 0 +248 261 0.637 1 0 +249 262 0.616 1 0 +250 263 0.934 1 0 +251 264 1.000 1 0 +252 265 0.926 1 0 +253 266 1.516 1 0 +254 267 1.589 1 0 +255 268 1.877 1 0 +256 269 1.644 1 0 +257 270 0.323 1 0 +258 271 0.130 1 0 +259 272 0.280 1 0 +260 273 0.350 1 0 +261 274 0.346 1 0 +262 275 0.516 1 0 +263 276 0.537 1 0 +264 277 0.360 1 0 +265 278 0.238 1 0 +266 279 0.268 1 0 +267 280 0.684 1 0 +268 281 0.518 1 0 +269 282 0.391 1 0 +270 283 0.497 1 0 +271 284 0.504 1 0 +272 285 0.228 1 0 +273 286 0.375 1 0 +274 287 0.294 1 0 +275 288 0.233 1 0 +276 289 0.414 1 0 +277 290 0.213 1 0 +278 291 0.240 1 0 +279 292 0.239 1 0 +280 293 0.111 1 0 +281 294 0.266 1 0 +282 295 0.250 1 0 +283 296 0.220 1 0 +284 297 0.186 1 0 +285 298 0.232 1 0 +286 299 0.217 1 0 +287 300 0.261 1 0 +288 301 0.189 1 0 +289 302 0.210 1 0 +290 303 0.262 1 0 +291 304 0.190 1 0 +292 305 0.288 1 0 +293 306 0.297 1 0 +294 307 0.313 1 0 +295 308 0.189 1 0 +296 309 0.079 1 0 +297 310 0.083 1 0 +298 311 0.178 1 0 +299 312 0.223 1 0 +300 313 0.325 1 0 +301 314 0.232 1 0 +302 315 0.401 1 0 +303 316 0.275 1 0 +304 317 0.166 1 0 +305 318 0.555 1 0 +306 319 0.487 1 0 +307 320 0.221 1 0 +308 321 0.367 1 0 +309 322 0.342 1 0 +310 323 0.300 1 0 +311 324 0.368 1 0 +312 325 0.199 1 0 +313 326 0.356 1 0 +314 327 0.383 1 0 +315 328 0.349 1 0 +316 329 0.272 1 0 +317 330 0.408 1 0 +318 331 0.399 1 0 +319 332 0.209 1 0 +320 333 0.297 1 0 +321 334 0.384 1 0 +322 335 0.352 1 0 +323 336 0.340 1 0 +324 337 0.160 1 0 +325 338 0.176 1 0 +326 339 0.180 1 0 +327 340 0.411 1 0 +328 341 0.417 1 0 +329 342 0.573 1 0 +330 343 0.796 1 0 +331 344 0.829 1 0 +332 345 0.901 1 0 +333 346 0.893 1 0 +334 347 1.231 1 0 +335 348 1.225 1 0 +336 349 1.052 1 0 +337 350 0.916 1 0 +338 353 3.837 0 1 +339 354 1.419 1 0 +340 355 0.930 1 0 +341 356 0.622 1 0 +342 357 0.945 1 0 +343 358 0.840 1 0 +344 359 0.444 1 0 +345 360 0.370 1 0 +346 361 0.412 1 0 +347 362 0.430 1 0 +348 363 0.197 1 0 +349 364 0.128 1 0 +350 365 0.176 1 0 +351 366 0.248 1 0 +352 367 0.374 1 0 +353 368 0.217 1 0 +354 369 0.180 1 0 +355 370 0.474 1 0 +356 371 0.320 1 0 +357 372 0.276 1 0 +358 373 0.349 1 0 +359 374 0.425 1 0 +360 375 0.409 1 0 +361 376 0.484 1 0 +362 377 0.802 1 0 +363 378 1.021 1 0 +364 379 1.176 1 0 +365 380 4.122 0 1 +366 381 6.860 0 1 +367 382 4.411 0 1 +368 383 4.451 0 1 +369 384 8.916 0 1 +370 385 8.217 0 1 +371 386 8.421 0 1 +372 387 10.940 0 1 +373 388 7.973 0 1 +374 389 12.735 0 1 +375 390 8.898 0 1 +376 391 12.637 0 1 +377 392 13.270 0 1 +378 393 9.670 0 1 +379 394 11.988 0 1 +380 395 7.888 0 1 +381 396 11.896 0 1 +382 397 10.309 0 1 +383 398 12.948 0 1 +384 399 9.041 0 1 +385 400 7.769 0 1 +386 401 13.683 0 1 +387 402 16.529 0 1 +388 403 18.337 0 1 +389 404 21.880 0 1 +390 405 26.588 0 1 +391 406 32.392 0 1 +392 407 33.764 0 1 +393 408 41.092 0 1 +394 409 43.252 0 1 +395 410 40.401 0 1 +396 411 43.246 0 1 +397 412 42.480 0 1 +398 413 38.471 0 1 +399 414 32.157 0 1 +400 415 28.374 0 1 +401 416 24.108 0 1 +402 417 19.817 0 1 +403 418 17.784 0 1 +404 419 14.127 0 1 +405 420 16.525 0 1 +406 421 15.492 0 1 +407 422 14.536 0 1 +408 423 12.497 0 1 +409 424 18.989 0 1 +410 425 24.053 0 1 +411 426 27.585 0 1 +412 427 25.287 0 1 +413 428 30.732 0 1 +414 429 30.969 0 1 +415 430 37.246 0 1 +416 431 38.071 0 1 +417 432 36.178 0 1 +418 433 39.622 0 1 +419 434 40.384 0 1 +420 435 44.092 0 1 +421 436 49.705 0 1 +422 437 54.399 0 1 +423 438 60.264 0 1 +424 439 59.506 0 1 +425 440 54.063 0 1 +426 441 48.832 0 1 +427 442 50.329 0 1 +428 443 46.615 0 1 +429 444 47.245 0 1 +430 445 49.544 0 1 +431 446 49.627 0 1 +432 447 42.322 0 1 +433 448 39.387 0 1 +434 449 37.946 0 1 +435 450 33.524 0 1 +436 451 32.532 0 1 +437 452 32.270 0 1 +438 453 32.303 0 1 +439 454 35.125 0 1 +440 455 40.475 0 1 +441 456 40.574 0 1 +442 457 43.148 0 1 +443 458 46.537 0 1 +444 459 47.227 0 1 +445 460 53.104 0 1 +446 461 52.363 0 1 +447 462 56.948 0 1 +448 463 58.488 0 1 +449 464 57.311 0 1 +450 465 59.495 0 1 +451 466 56.826 0 1 +452 467 55.432 0 1 +453 468 50.086 0 1 +454 469 49.961 0 1 +455 470 47.362 0 1 +456 471 45.403 0 1 +457 472 45.334 0 1 +458 473 43.987 0 1 +459 474 50.784 0 1 +460 475 48.640 0 1 +461 476 43.583 0 1 +462 477 36.226 0 1 +463 478 31.536 0 1 +464 479 24.901 0 1 +465 480 22.005 0 1 +466 481 22.706 0 1 +467 482 27.567 0 1 +468 483 27.492 0 1 +469 484 22.625 0 1 +470 485 24.032 0 1 +471 486 22.890 0 1 +472 487 26.416 0 1 +473 488 28.527 0 1 +474 489 32.521 0 1 +475 490 36.368 0 1 +476 491 40.033 0 1 +477 492 45.446 0 1 +478 493 48.310 0 1 +479 494 55.443 0 1 +480 495 56.883 0 1 +481 496 53.740 0 1 +482 497 57.210 0 1 +483 498 52.653 0 1 +484 499 51.273 0 1 +485 500 54.119 0 1 +486 501 51.269 0 1 +487 502 57.019 0 1 +488 503 56.831 0 1 +489 504 51.438 0 1 +490 505 52.599 0 1 +491 506 45.285 0 1 +492 507 39.561 0 1 +493 508 33.935 0 1 +494 509 31.840 0 1 +495 510 31.755 0 1 +496 511 28.316 0 1 +497 512 31.271 0 1 +498 513 27.527 0 1 +499 514 29.734 0 1 +500 515 34.171 0 1 +501 516 31.657 0 1 +502 517 35.448 0 1 +503 518 33.895 0 1 +504 519 39.028 0 1 +505 520 41.430 0 1 +506 521 44.191 0 1 +507 522 41.989 0 1 +508 523 38.230 0 1 +509 524 34.183 0 1 +510 525 26.971 0 1 +511 526 27.854 0 1 +512 527 23.084 0 1 +513 528 25.849 0 1 +514 529 23.620 0 1 +515 530 28.409 0 1 +516 531 30.097 0 1 +517 532 32.888 0 1 +518 533 37.728 0 1 +519 534 37.221 0 1 +520 535 38.048 0 1 diff --git a/bench/main_benchmark/annotations/SFB_OL_ENGRAILED_1ENHA_2JWTA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_ENGRAILED_1ENHA_2JWTA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..3a3dd70eaa8fcf419b3e4559d63d48aeff2cdc9d --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_ENGRAILED_1ENHA_2JWTA/state_region_BLIND_proxy.tsv @@ -0,0 +1,56 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 1 +6 1 0 +7 0 0 +8 0 1 +9 0 1 +10 0 0 +11 1 0 +12 0 1 +13 0 1 +14 1 0 +15 0 0 +16 0 1 +17 0 0 +18 1 0 +19 0 1 +20 1 1 +21 0 0 +22 0 0 +23 0 0 +24 1 0 +25 0 0 +26 1 1 +27 0 1 +28 1 0 +29 0 0 +30 0 1 +31 0 0 +32 1 0 +33 0 0 +34 0 1 +35 0 1 +36 1 0 +37 0 0 +38 1 0 +39 0 0 +40 0 0 +41 0 1 +42 0 0 +43 1 0 +44 0 0 +45 1 0 +46 0 0 +47 1 0 +48 0 0 +49 0 0 +50 0 0 +51 0 0 +52 0 0 +53 0 0 +54 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_ENGRAILED_1ENHA_2JWTA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_ENGRAILED_1ENHA_2JWTA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..4f5da45a5e0e026243db00721ccfb63d6a077728 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_ENGRAILED_1ENHA_2JWTA/state_region_FINAL.tsv @@ -0,0 +1,58 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 3 10.379 0 1 +2 4 5.828 0 1 +3 5 1.929 1 0 +4 6 3.908 0 1 +5 7 0.723 1 0 +6 8 0.264 1 0 +7 9 0.419 1 0 +8 10 0.590 1 0 +9 11 0.501 1 0 +10 12 0.445 1 0 +11 13 0.597 1 0 +12 14 0.492 1 0 +13 15 0.531 1 0 +14 16 0.708 1 0 +15 17 0.466 1 0 +16 18 0.419 1 0 +17 19 0.592 1 0 +18 20 0.249 1 0 +19 21 0.453 1 0 +20 22 1.052 1 0 +21 23 1.283 1 0 +22 24 1.236 1 0 +23 25 0.765 1 0 +24 26 0.384 1 0 +25 27 0.847 1 0 +26 28 1.027 1 0 +27 29 1.240 1 0 +28 30 0.909 1 0 +29 31 0.429 1 0 +30 32 0.429 1 0 +31 33 0.511 1 0 +32 34 0.660 1 0 +33 35 0.581 1 0 +34 36 0.639 1 0 +35 37 0.507 1 0 +36 38 0.948 1 0 +37 39 0.542 1 0 +38 40 0.485 1 0 +39 41 0.267 1 0 +40 42 0.225 1 0 +41 43 0.298 1 0 +42 44 0.262 1 0 +43 45 0.181 1 0 +44 46 0.280 1 0 +45 47 0.330 1 0 +46 48 0.242 1 0 +47 49 0.227 1 0 +48 50 0.302 1 0 +49 51 0.372 1 0 +50 52 0.265 1 0 +51 53 0.289 1 0 +52 54 0.266 1 0 +53 55 0.756 1 0 +54 56 1.178 1 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_ETA_1AOHA_1AOHB/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_ETA_1AOHA_1AOHB/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..7ca913acf3054d0040049f7d9477dc753f5af3d4 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_ETA_1AOHA_1AOHB/state_region_BLIND_proxy.tsv @@ -0,0 +1,145 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 1 0 +5 0 1 +6 1 0 +7 0 0 +8 0 0 +9 1 0 +10 0 0 +11 0 0 +12 0 0 +13 0 0 +14 0 0 +15 0 0 +16 0 0 +17 1 0 +18 0 0 +19 1 0 +20 0 0 +21 1 0 +22 0 0 +23 1 0 +24 0 1 +25 0 0 +26 1 0 +27 0 0 +28 0 0 +29 0 1 +30 0 0 +31 1 0 +32 0 1 +33 0 0 +34 1 0 +35 0 0 +36 1 0 +37 1 1 +38 0 0 +39 0 1 +40 0 0 +41 0 0 +42 0 0 +43 0 0 +44 1 0 +45 1 0 +46 0 0 +47 1 0 +48 1 0 +49 0 0 +50 1 0 +51 0 0 +52 0 0 +53 0 0 +54 0 0 +55 0 0 +56 1 0 +57 0 1 +58 0 0 +59 0 0 +60 0 0 +61 0 1 +62 0 1 +63 0 1 +64 0 0 +65 1 0 +66 0 1 +67 0 1 +68 0 1 +69 1 0 +70 0 1 +71 0 1 +72 0 0 +73 0 1 +74 0 0 +75 0 1 +76 1 0 +77 1 0 +78 1 0 +79 0 0 +80 1 0 +81 0 0 +82 0 0 +83 0 1 +84 0 0 +85 0 1 +86 0 1 +87 0 0 +88 0 1 +89 0 0 +90 0 1 +91 1 0 +92 0 0 +93 0 1 +94 0 0 +95 0 0 +96 1 0 +97 1 0 +98 0 0 +99 0 0 +100 1 0 +101 1 0 +102 0 0 +103 0 0 +104 1 0 +105 0 0 +106 0 0 +107 0 1 +108 0 0 +109 0 1 +110 0 1 +111 0 0 +112 0 0 +113 0 0 +114 0 1 +115 1 0 +116 0 0 +117 1 0 +118 1 1 +119 0 1 +120 1 1 +121 0 0 +122 0 0 +123 1 0 +124 0 0 +125 0 0 +126 0 1 +127 0 0 +128 0 0 +129 0 1 +130 0 1 +131 0 0 +132 0 1 +133 0 0 +134 0 1 +135 0 0 +136 0 1 +137 0 0 +138 0 0 +139 0 0 +140 1 0 +141 0 0 +142 0 0 +143 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_ETA_1AOHA_1AOHB/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_ETA_1AOHA_1AOHB/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..9f464386e7fd51f6c4c76dd3a73785cccbbe6415 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_ETA_1AOHA_1AOHB/state_region_FINAL.tsv @@ -0,0 +1,147 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 5 0.639 1 0 +2 6 0.213 1 0 +3 7 0.325 1 0 +4 8 0.089 1 0 +5 9 0.238 1 0 +6 10 0.122 1 0 +7 11 0.185 1 0 +8 12 0.171 1 0 +9 13 0.214 1 0 +10 14 0.425 1 0 +11 15 0.549 1 0 +12 16 0.420 1 0 +13 17 0.400 1 0 +14 18 0.355 1 0 +15 19 0.201 1 0 +16 20 0.202 1 0 +17 21 0.162 1 0 +18 22 0.064 1 0 +19 23 0.149 1 0 +20 24 0.359 1 0 +21 25 0.240 1 0 +22 26 0.132 1 0 +23 27 0.063 1 0 +24 28 0.379 1 0 +25 29 0.115 1 0 +26 30 0.148 1 0 +27 31 0.336 1 0 +28 32 1.460 1 0 +29 33 0.792 1 0 +30 34 0.497 1 0 +31 35 0.267 1 0 +32 36 0.191 1 0 +33 37 0.120 1 0 +34 38 0.084 1 0 +35 39 0.097 1 0 +36 40 0.060 1 0 +37 41 0.033 1 0 +38 42 0.069 1 0 +39 43 0.166 1 0 +40 44 0.093 1 0 +41 45 0.187 1 0 +42 46 0.309 1 0 +43 47 0.299 1 0 +44 48 0.274 1 0 +45 49 0.135 1 0 +46 50 0.377 1 0 +47 51 0.270 1 0 +48 52 0.230 1 0 +49 53 0.189 1 0 +50 54 0.192 1 0 +51 55 0.141 1 0 +52 56 0.193 1 0 +53 57 0.248 1 0 +54 58 0.279 1 0 +55 59 0.241 1 0 +56 60 0.308 1 0 +57 61 0.601 1 0 +58 62 0.392 1 0 +59 63 0.619 1 0 +60 64 0.879 1 0 +61 65 0.691 1 0 +62 66 0.837 1 0 +63 67 0.781 1 0 +64 68 0.332 1 0 +65 69 0.335 1 0 +66 70 0.334 1 0 +67 71 0.175 1 0 +68 72 0.044 1 0 +69 73 0.197 1 0 +70 74 0.222 1 0 +71 75 0.290 1 0 +72 76 0.350 1 0 +73 77 0.259 1 0 +74 78 0.154 1 0 +75 79 0.034 1 0 +76 80 0.134 1 0 +77 81 0.104 1 0 +78 82 0.168 1 0 +79 83 0.200 1 0 +80 84 0.213 1 0 +81 85 0.375 1 0 +82 86 0.316 1 0 +83 87 0.374 1 0 +84 88 0.381 1 0 +85 89 0.651 1 0 +86 90 0.742 1 0 +87 91 0.606 1 0 +88 92 0.487 1 0 +89 93 0.289 1 0 +90 94 0.174 1 0 +91 95 0.214 1 0 +92 96 0.376 1 0 +93 97 0.155 1 0 +94 98 0.149 1 0 +95 99 0.124 1 0 +96 100 0.190 1 0 +97 101 0.210 1 0 +98 102 0.114 1 0 +99 103 0.142 1 0 +100 104 0.120 1 0 +101 105 0.161 1 0 +102 106 0.366 1 0 +103 107 0.293 1 0 +104 108 0.212 1 0 +105 109 0.252 1 0 +106 110 0.266 1 0 +107 111 0.248 1 0 +108 112 0.268 1 0 +109 113 0.333 1 0 +110 114 0.418 1 0 +111 115 0.276 1 0 +112 116 0.169 1 0 +113 117 0.086 1 0 +114 118 0.162 1 0 +115 119 0.120 1 0 +116 120 0.118 1 0 +117 121 0.091 1 0 +118 122 0.162 1 0 +119 123 0.137 1 0 +120 124 0.107 1 0 +121 125 0.071 1 0 +122 126 0.151 1 0 +123 127 0.121 1 0 +124 128 0.193 1 0 +125 129 0.264 1 0 +126 130 0.227 1 0 +127 131 0.233 1 0 +128 132 0.530 1 0 +129 133 0.263 1 0 +130 134 0.192 1 0 +131 135 0.074 1 0 +132 136 0.139 1 0 +133 137 0.157 1 0 +134 138 0.132 1 0 +135 139 0.240 1 0 +136 140 0.193 1 0 +137 141 0.153 1 0 +138 142 0.110 1 0 +139 143 0.170 1 0 +140 144 0.133 1 0 +141 145 0.326 1 0 +142 146 0.393 1 0 +143 147 0.628 1 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_GB1SW_2QMTA_1Q9VA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_GB1SW_2QMTA_1Q9VA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..3e4d034c40ca0b10de50fe2eb7023b2c1a5d8085 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_GB1SW_2QMTA_1Q9VA/state_region_BLIND_proxy.tsv @@ -0,0 +1,58 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 1 0 +6 1 1 +7 1 1 +8 0 1 +9 0 0 +10 0 1 +11 0 1 +12 1 1 +13 0 1 +14 0 0 +15 1 0 +16 0 0 +17 0 0 +18 0 0 +19 0 1 +20 0 0 +21 1 0 +22 0 0 +23 0 0 +24 0 1 +25 0 0 +26 1 0 +27 0 0 +28 0 0 +29 1 1 +30 1 0 +31 0 0 +32 0 0 +33 0 0 +34 1 0 +35 0 1 +36 0 1 +37 0 0 +38 0 0 +39 1 0 +40 0 0 +41 0 0 +42 0 1 +43 1 0 +44 0 0 +45 0 0 +46 0 0 +47 0 1 +48 0 0 +49 0 0 +50 0 0 +51 0 0 +52 1 0 +53 0 0 +54 1 0 +55 0 0 +56 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_GB1SW_2QMTA_1Q9VA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_GB1SW_2QMTA_1Q9VA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..3994c58c3cc5a04ec8e04cb3db761566db336533 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_GB1SW_2QMTA_1Q9VA/state_region_FINAL.tsv @@ -0,0 +1,60 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 15.820 0 1 +2 2 14.093 0 1 +3 3 13.186 0 1 +4 4 11.600 0 1 +5 5 10.183 0 1 +6 6 9.978 0 1 +7 7 8.667 0 1 +8 8 10.500 0 1 +9 9 8.637 0 1 +10 10 7.447 0 1 +11 11 4.064 0 1 +12 12 3.899 0 1 +13 13 4.971 0 1 +14 14 10.227 0 1 +15 15 14.620 0 1 +16 16 18.154 0 1 +17 17 18.234 0 1 +18 18 18.332 0 1 +19 19 18.670 0 1 +20 20 17.504 0 1 +21 21 18.227 0 1 +22 22 14.722 0 1 +23 23 9.915 0 1 +24 24 11.138 0 1 +25 25 5.641 0 1 +26 26 8.431 0 1 +27 27 12.863 0 1 +28 28 13.905 0 1 +29 29 12.497 0 1 +30 30 19.376 0 1 +31 31 18.438 0 1 +32 32 18.484 0 1 +33 33 15.829 0 1 +34 34 15.666 0 1 +35 35 15.930 0 1 +36 36 18.039 0 1 +37 37 16.667 0 1 +38 38 14.726 0 1 +39 39 11.548 0 1 +40 40 8.636 0 1 +41 41 8.133 0 1 +42 42 6.021 0 1 +43 43 6.982 0 1 +44 44 4.304 0 1 +45 45 5.952 0 1 +46 46 3.992 0 1 +47 47 7.323 0 1 +48 48 5.022 0 1 +49 49 3.835 0 1 +50 50 4.430 0 1 +51 51 5.722 0 1 +52 52 10.336 0 1 +53 53 13.804 0 1 +54 54 15.742 0 1 +55 55 17.629 0 1 +56 56 22.888 0 1 diff --git a/bench/main_benchmark/annotations/SFB_OL_HIVPR_1HHPA_3HVPA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_HIVPR_1HHPA_3HVPA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..e47106b30dde78b74a54e25786b4dcc3cf81cd0b --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_HIVPR_1HHPA_3HVPA/state_region_BLIND_proxy.tsv @@ -0,0 +1,101 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 1 1 +4 0 0 +5 0 0 +6 0 0 +7 0 0 +8 0 0 +9 0 0 +10 0 1 +11 1 0 +12 0 0 +13 1 1 +14 0 0 +15 1 1 +16 0 0 +17 0 0 +18 0 0 +19 0 1 +20 0 1 +21 0 0 +22 0 0 +23 0 0 +24 1 0 +25 0 0 +26 0 0 +27 0 0 +28 0 0 +29 0 0 +30 0 0 +31 0 0 +32 1 0 +33 1 1 +34 0 0 +35 0 1 +36 0 1 +37 0 1 +38 1 0 +39 0 0 +40 0 0 +41 0 1 +42 0 0 +43 0 0 +44 0 0 +45 0 0 +46 0 1 +47 1 0 +48 0 0 +49 0 0 +50 1 0 +51 0 0 +52 0 0 +53 0 0 +54 1 1 +55 0 1 +56 1 0 +57 0 1 +58 0 0 +59 0 0 +60 0 1 +61 0 1 +62 1 1 +63 0 1 +64 1 0 +65 0 0 +66 1 0 +67 0 0 +68 0 0 +69 0 1 +70 0 0 +71 0 1 +72 1 1 +73 0 0 +74 0 0 +75 1 0 +76 1 0 +77 1 0 +78 0 0 +79 0 0 +80 0 0 +81 0 0 +82 1 1 +83 0 0 +84 1 0 +85 1 0 +86 0 0 +87 0 0 +88 0 0 +89 1 1 +90 0 0 +91 0 0 +92 0 0 +93 1 1 +94 0 0 +95 1 0 +96 0 0 +97 0 0 +98 0 0 +99 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_HIVPR_1HHPA_3HVPA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_HIVPR_1HHPA_3HVPA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..b0d4db398daad8a1e6013ccbee82513264342be0 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_HIVPR_1HHPA_3HVPA/state_region_FINAL.tsv @@ -0,0 +1,101 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 0.280 1 0 +2 2 0.454 1 0 +3 3 0.199 1 0 +4 4 0.266 1 0 +5 5 0.216 1 0 +6 6 0.086 1 0 +7 7 0.357 1 0 +8 8 0.269 1 0 +9 9 0.334 1 0 +10 10 0.263 1 0 +11 11 0.348 1 0 +12 12 0.657 1 0 +13 13 0.382 1 0 +14 14 0.355 1 0 +15 15 0.294 1 0 +16 16 1.007 1 0 +17 17 0.651 1 0 +18 18 0.537 1 0 +19 19 0.551 1 0 +20 20 0.691 1 0 +21 21 0.393 1 0 +22 22 0.559 1 0 +23 23 0.319 1 0 +24 24 0.578 1 0 +25 25 0.538 1 0 +26 26 0.098 1 0 +27 27 0.637 1 0 +28 28 0.405 1 0 +29 29 0.239 1 0 +30 30 0.120 1 0 +31 31 0.370 1 0 +32 32 0.456 1 0 +33 33 0.287 1 0 +34 34 0.274 1 0 +35 35 0.217 1 0 +36 36 0.360 1 0 +37 37 0.248 1 0 +38 38 0.225 1 0 +39 39 0.674 1 0 +40 40 0.821 1 0 +41 41 0.677 1 0 +42 42 0.243 1 0 +43 43 0.422 1 0 +44 44 0.629 1 0 +45 45 0.299 1 0 +46 46 0.097 1 0 +47 47 0.347 1 0 +48 48 0.557 1 0 +49 49 0.715 1 0 +50 50 1.118 1 0 +51 51 1.202 1 0 +52 52 1.185 1 0 +53 53 0.752 1 0 +54 54 0.257 1 0 +55 55 0.175 1 0 +56 56 0.384 1 0 +57 57 0.368 1 0 +58 58 0.171 1 0 +59 59 0.232 1 0 +60 60 0.547 1 0 +61 61 0.288 1 0 +62 62 0.215 1 0 +63 63 0.251 1 0 +64 64 0.491 1 0 +65 65 0.398 1 0 +66 66 0.421 1 0 +68 68 0.430 1 0 +69 69 0.385 1 0 +70 70 0.129 1 0 +71 71 0.413 1 0 +72 72 0.201 1 0 +73 73 0.407 1 0 +74 74 0.221 1 0 +75 75 0.207 1 0 +76 76 0.114 1 0 +77 77 0.144 1 0 +78 78 0.311 1 0 +79 79 0.496 1 0 +80 80 0.444 1 0 +81 81 0.401 1 0 +82 82 0.331 1 0 +83 83 0.178 1 0 +84 84 0.293 1 0 +85 85 0.276 1 0 +86 86 0.463 1 0 +87 87 0.231 1 0 +88 88 0.391 1 0 +89 89 0.386 1 0 +90 90 0.280 1 0 +91 91 0.270 1 0 +92 92 0.386 1 0 +93 93 0.317 1 0 +94 94 0.420 1 0 +96 96 0.128 1 0 +97 97 0.179 1 0 +98 98 0.456 1 0 +99 99 0.138 1 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_IL5_1HULA_1HULB/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_IL5_1HULA_1HULB/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..38590fa39b4f6027f02217a1c1af1be863a5efd7 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_IL5_1HULA_1HULB/state_region_BLIND_proxy.tsv @@ -0,0 +1,112 @@ +# CASE-BLIND proxy. To be filled in wave 2 by FrustrAI-Seq (query-only) and MSA column variance. +# fi_top25: 1 if residue is in top-25% per-residue FI (placeholder = 0 here) +# msa_var_top25: 1 if residue is in top-25% MSA column variance (placeholder = 0 here) +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 1 +4 0 1 +5 0 1 +6 0 0 +7 1 0 +8 0 1 +9 0 0 +10 0 0 +11 1 0 +12 0 1 +13 1 0 +14 1 0 +15 0 0 +16 0 0 +17 0 0 +18 0 0 +19 0 1 +20 1 0 +21 0 0 +22 0 1 +23 0 1 +24 0 1 +25 0 1 +26 0 1 +27 1 0 +28 0 0 +29 1 0 +30 0 1 +31 1 1 +32 0 0 +33 0 1 +34 0 0 +35 0 0 +36 0 0 +37 0 0 +38 0 0 +39 0 0 +40 0 0 +41 0 0 +42 0 0 +43 0 0 +44 1 0 +45 0 0 +46 0 0 +47 0 0 +48 1 0 +49 0 0 +50 0 0 +51 1 0 +52 0 0 +53 0 0 +54 0 0 +55 0 0 +56 0 1 +57 0 1 +58 0 0 +59 0 1 +60 0 1 +61 1 0 +62 0 0 +63 0 1 +64 1 0 +65 0 0 +66 0 0 +67 0 0 +68 1 0 +69 0 0 +70 0 0 +71 1 0 +72 0 0 +73 0 1 +74 0 1 +75 1 0 +76 1 0 +77 0 1 +78 0 0 +79 0 0 +80 0 1 +81 0 0 +82 1 0 +83 0 0 +84 1 1 +85 0 0 +86 0 0 +87 1 0 +88 1 0 +89 0 0 +90 0 1 +91 0 0 +92 1 0 +93 1 0 +94 0 0 +95 0 0 +96 1 0 +97 0 0 +98 0 1 +99 1 0 +100 1 0 +101 0 0 +102 1 0 +103 0 1 +104 0 0 +105 0 0 +106 0 0 +107 0 0 +108 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_IL5_1HULA_1HULB/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_IL5_1HULA_1HULB/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..0099f071ccd7fe144a2dd6c9d366ae66a754976d --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_IL5_1HULA_1HULB/state_region_FINAL.tsv @@ -0,0 +1,112 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 5 1.811 1 0 +2 6 2.145 1 0 +3 7 1.096 1 0 +4 8 1.000 1 0 +5 9 1.295 1 0 +6 10 1.207 1 0 +7 11 0.636 1 0 +8 12 0.875 1 0 +9 13 1.003 1 0 +10 14 0.665 1 0 +11 15 0.487 1 0 +12 16 0.366 1 0 +13 17 0.297 1 0 +14 18 0.304 1 0 +15 19 0.755 1 0 +16 20 0.854 1 0 +17 21 0.785 1 0 +18 22 0.661 1 0 +19 23 0.756 1 0 +20 24 0.658 1 0 +21 25 0.273 1 0 +22 26 0.332 1 0 +23 27 0.201 1 0 +24 28 0.680 1 0 +25 29 0.735 1 0 +26 30 0.632 1 0 +27 31 0.532 1 0 +28 32 0.431 1 0 +29 33 0.208 1 0 +30 34 0.733 1 0 +31 35 0.441 1 0 +32 36 0.605 1 0 +33 37 0.700 1 0 +34 38 0.736 1 0 +35 39 0.608 1 0 +36 40 0.821 1 0 +37 41 0.754 1 0 +38 42 0.749 1 0 +39 43 0.372 1 0 +40 44 0.433 1 0 +41 45 0.222 1 0 +42 46 0.586 1 0 +43 47 0.524 1 0 +44 48 0.445 1 0 +45 49 0.358 1 0 +46 50 0.168 1 0 +47 51 0.154 1 0 +48 52 0.244 1 0 +49 53 0.847 1 0 +50 54 0.549 1 0 +51 55 0.214 1 0 +52 56 0.288 1 0 +53 57 0.608 1 0 +54 58 0.630 1 0 +55 59 0.672 1 0 +56 60 0.844 1 0 +57 61 0.687 1 0 +58 62 3.332 0 1 +59 63 1.999 1 0 +60 64 0.974 1 0 +61 65 0.630 1 0 +62 66 0.440 1 0 +63 67 0.421 1 0 +64 68 0.404 1 0 +65 69 0.211 1 0 +66 70 0.522 1 0 +67 71 0.552 1 0 +68 72 0.327 1 0 +69 73 0.466 1 0 +70 74 0.465 1 0 +71 75 0.258 1 0 +72 76 0.256 1 0 +73 77 0.377 1 0 +74 78 0.497 1 0 +75 79 0.315 1 0 +76 80 0.528 1 0 +77 81 0.807 1 0 +78 82 0.891 1 0 +79 83 0.729 1 0 +80 84 0.632 1 0 +81 85 0.676 1 0 +82 86 0.637 1 0 +83 87 1.026 1 0 +84 88 0.466 1 0 +85 89 0.291 1 0 +86 90 0.184 1 0 +87 91 0.273 1 0 +88 92 0.188 1 0 +89 93 0.230 1 0 +90 94 0.719 1 0 +91 95 0.634 1 0 +92 96 0.287 1 0 +93 97 0.211 1 0 +94 98 0.180 1 0 +95 99 0.293 1 0 +96 100 0.695 1 0 +97 101 0.718 1 0 +98 102 0.578 1 0 +99 103 0.419 1 0 +100 104 0.422 1 0 +101 105 0.388 1 0 +102 106 0.301 1 0 +103 107 0.193 1 0 +104 108 0.541 1 0 +105 109 1.065 1 0 +106 110 1.809 1 0 +107 111 2.166 1 0 +108 112 6.375 0 1 diff --git a/bench/main_benchmark/annotations/SFB_OL_RNASA_7RSAA_1A2WA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_RNASA_7RSAA_1A2WA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..8b2a4625991d3fc681f62d9b60ade7f46bceb454 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_RNASA_7RSAA_1A2WA/state_region_BLIND_proxy.tsv @@ -0,0 +1,126 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 0 0 +7 0 0 +8 1 0 +9 0 0 +10 0 0 +11 0 0 +12 0 0 +13 0 0 +14 1 0 +15 0 0 +16 0 1 +17 0 1 +18 0 0 +19 0 0 +20 0 1 +21 0 1 +22 0 0 +23 0 1 +24 1 1 +25 0 0 +26 1 0 +27 0 0 +28 0 1 +29 1 0 +30 1 0 +31 0 1 +32 0 0 +33 0 0 +34 0 0 +35 1 0 +36 0 0 +37 0 1 +38 0 0 +39 0 1 +40 1 0 +41 0 0 +42 0 0 +43 1 1 +44 0 0 +45 0 0 +46 1 0 +47 1 0 +48 0 0 +49 0 0 +50 0 0 +51 1 1 +52 0 1 +53 0 1 +54 1 0 +55 0 1 +56 0 0 +57 1 0 +58 1 0 +59 0 1 +60 0 1 +61 0 1 +62 0 0 +63 1 0 +64 0 1 +65 1 0 +66 0 0 +67 0 0 +68 0 0 +69 0 1 +70 0 1 +71 0 0 +72 1 0 +73 0 0 +74 0 1 +75 0 0 +76 0 1 +77 0 1 +78 0 1 +79 1 0 +80 0 1 +81 1 0 +82 0 0 +83 0 0 +84 1 0 +85 0 0 +86 0 0 +87 0 0 +88 0 0 +89 0 0 +90 0 0 +91 0 0 +92 0 0 +93 0 0 +94 0 0 +95 1 0 +96 0 0 +97 1 0 +98 0 0 +99 0 0 +100 0 1 +101 0 1 +102 0 1 +103 0 1 +104 0 0 +105 0 1 +106 1 0 +107 1 0 +108 1 0 +109 1 0 +110 1 0 +111 0 0 +112 0 0 +113 0 0 +114 0 0 +115 0 0 +116 1 0 +117 0 0 +118 1 0 +119 0 0 +120 1 0 +121 0 0 +122 0 0 +123 0 0 +124 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_RNASA_7RSAA_1A2WA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_RNASA_7RSAA_1A2WA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..8387d6aa0f24faa078e6ce7fa0dd0d0073d9811d --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_RNASA_7RSAA_1A2WA/state_region_FINAL.tsv @@ -0,0 +1,128 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 1 67.112 0 1 +2 2 60.017 0 1 +3 3 60.334 0 1 +4 4 55.759 0 1 +5 5 53.494 0 1 +6 6 51.556 0 1 +7 7 48.319 0 1 +8 8 43.923 0 1 +9 9 41.773 0 1 +10 10 40.462 0 1 +11 11 36.644 0 1 +12 12 32.765 0 1 +13 13 32.586 0 1 +14 14 27.017 0 1 +15 15 28.499 0 1 +16 16 24.774 0 1 +17 17 17.934 0 1 +18 18 15.792 0 1 +19 19 11.354 0 1 +20 20 7.472 0 1 +21 21 1.441 1 0 +22 22 0.710 1 0 +23 23 0.100 1 0 +24 24 0.267 1 0 +25 25 0.266 1 0 +26 26 0.246 1 0 +27 27 0.172 1 0 +28 28 0.117 1 0 +29 29 0.159 1 0 +30 30 0.161 1 0 +31 31 0.239 1 0 +32 32 0.263 1 0 +33 33 0.127 1 0 +34 34 0.170 1 0 +35 35 0.262 1 0 +36 36 0.280 1 0 +37 37 0.256 1 0 +38 38 0.894 1 0 +39 39 0.669 1 0 +40 40 0.322 1 0 +41 41 0.411 1 0 +42 42 0.314 1 0 +43 43 0.302 1 0 +44 44 0.346 1 0 +45 45 0.242 1 0 +46 46 0.296 1 0 +47 47 0.249 1 0 +48 48 0.254 1 0 +49 49 0.484 1 0 +50 50 0.320 1 0 +51 51 0.330 1 0 +52 52 0.354 1 0 +53 53 0.390 1 0 +54 54 0.193 1 0 +55 55 0.213 1 0 +56 56 0.304 1 0 +57 57 0.169 1 0 +58 58 0.352 1 0 +59 59 0.527 1 0 +60 60 0.464 1 0 +61 61 0.295 1 0 +62 62 0.345 1 0 +63 63 0.554 1 0 +64 64 0.432 1 0 +65 65 0.388 1 0 +66 66 0.438 1 0 +67 67 0.570 1 0 +68 68 0.708 1 0 +69 69 0.358 1 0 +70 70 0.464 1 0 +71 71 0.579 1 0 +72 72 0.344 1 0 +73 73 0.220 1 0 +74 74 0.189 1 0 +75 75 0.107 1 0 +76 76 0.087 1 0 +77 77 0.260 1 0 +78 78 0.280 1 0 +79 79 0.139 1 0 +80 80 0.091 1 0 +81 81 0.172 1 0 +82 82 0.064 1 0 +83 83 0.214 1 0 +84 84 0.362 1 0 +85 85 0.318 1 0 +86 86 0.408 1 0 +87 87 0.414 1 0 +88 88 1.300 1 0 +89 89 1.412 1 0 +90 90 0.600 1 0 +91 91 1.097 1 0 +92 92 0.749 1 0 +93 93 0.708 1 0 +94 94 0.697 1 0 +95 95 0.143 1 0 +96 96 0.201 1 0 +97 97 0.204 1 0 +98 98 0.128 1 0 +99 99 0.067 1 0 +100 100 0.184 1 0 +101 101 0.378 1 0 +102 102 0.785 1 0 +103 103 0.531 1 0 +104 104 0.279 1 0 +105 105 0.078 1 0 +106 106 0.143 1 0 +107 107 0.196 1 0 +108 108 0.267 1 0 +109 109 0.374 1 0 +110 110 0.374 1 0 +111 111 0.219 1 0 +112 112 0.585 1 0 +113 113 0.491 1 0 +114 114 0.356 1 0 +115 115 0.230 1 0 +116 116 0.213 1 0 +117 117 0.193 1 0 +118 118 0.476 1 0 +119 119 0.573 1 0 +120 120 0.407 1 0 +121 121 0.381 1 0 +122 122 0.233 1 0 +123 123 0.304 1 0 +124 124 0.457 1 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_STEFINB_1STFI_2OCTA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_STEFINB_1STFI_2OCTA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..f44921d8d7a3d2b1d8d845868cb864e24932d3a9 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_STEFINB_1STFI_2OCTA/state_region_BLIND_proxy.tsv @@ -0,0 +1,100 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 0 1 +7 0 0 +8 0 1 +9 0 1 +10 0 0 +11 0 0 +12 0 0 +13 0 0 +14 0 1 +15 0 0 +16 0 0 +17 0 0 +18 0 1 +19 1 0 +20 1 0 +21 0 0 +22 0 1 +23 1 0 +24 0 0 +25 0 1 +26 0 0 +27 1 0 +28 0 0 +29 0 1 +30 0 0 +31 0 1 +32 0 0 +33 0 1 +34 1 1 +35 1 0 +36 0 1 +37 1 1 +38 1 0 +39 0 0 +40 0 0 +41 1 0 +42 0 1 +43 1 0 +44 0 0 +45 0 0 +46 0 0 +47 1 0 +48 1 0 +49 0 0 +50 0 0 +51 0 0 +52 0 0 +53 0 0 +54 1 0 +55 1 0 +56 0 0 +57 1 0 +58 0 1 +59 1 0 +60 0 0 +61 0 0 +62 0 0 +63 0 1 +64 1 0 +65 1 0 +66 0 0 +67 1 0 +68 0 0 +69 1 0 +70 1 0 +71 0 0 +72 0 0 +73 0 0 +74 0 0 +75 0 0 +76 1 1 +77 0 0 +78 0 1 +79 0 1 +80 1 0 +81 0 0 +82 1 0 +83 0 1 +84 0 0 +85 0 0 +86 0 0 +87 0 1 +88 0 1 +89 0 0 +90 0 0 +91 1 1 +92 0 1 +93 0 0 +94 0 0 +95 0 0 +96 0 1 +97 0 0 +98 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_STEFINB_1STFI_2OCTA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_STEFINB_1STFI_2OCTA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..9035713edef112f186534dbcad65bf6e81a5b667 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_STEFINB_1STFI_2OCTA/state_region_FINAL.tsv @@ -0,0 +1,72 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +1 6 26.724 0 1 +2 7 27.272 0 1 +3 8 30.897 0 1 +4 9 29.732 0 1 +5 10 28.278 0 1 +6 11 27.629 0 1 +7 12 26.172 0 1 +8 13 25.001 0 1 +9 14 22.442 0 1 +10 15 17.323 0 1 +11 16 13.610 0 1 +12 17 14.433 0 1 +13 18 13.179 0 1 +14 19 10.348 0 1 +15 20 14.331 0 1 +16 21 12.960 0 1 +17 22 6.077 0 1 +18 23 6.687 0 1 +19 24 10.105 0 1 +20 25 8.448 0 1 +21 26 5.110 0 1 +22 27 6.647 0 1 +23 28 6.446 0 1 +24 29 7.300 0 1 +25 30 6.172 0 1 +26 31 4.382 0 1 +27 32 9.394 0 1 +28 33 7.604 0 1 +29 34 6.245 0 1 +30 35 9.307 0 1 +31 36 11.522 0 1 +32 37 9.114 0 1 +33 38 6.072 0 1 +34 39 6.007 0 1 +35 40 5.446 0 1 +36 43 13.509 0 1 +37 44 14.146 0 1 +38 45 13.601 0 1 +39 46 13.654 0 1 +40 47 12.348 0 1 +41 48 10.311 0 1 +42 49 10.064 0 1 +43 50 11.105 0 1 +44 51 9.639 0 1 +45 52 6.667 0 1 +46 53 7.481 0 1 +47 54 4.800 0 1 +48 55 8.466 0 1 +49 56 9.794 0 1 +50 57 14.866 0 1 +51 58 19.272 0 1 +52 59 21.552 0 1 +53 60 28.461 0 1 +54 61 32.439 0 1 +55 62 33.880 0 1 +56 63 34.156 0 1 +57 64 33.506 0 1 +58 65 33.821 0 1 +59 66 32.450 0 1 +60 67 33.348 0 1 +61 68 32.399 0 1 +62 92 45.863 0 1 +63 93 39.958 0 1 +64 94 34.129 0 1 +65 95 28.923 0 1 +66 96 22.963 0 1 +67 97 16.681 0 1 +68 98 11.166 0 1 diff --git a/bench/main_benchmark/annotations/SFB_OL_SUC1_1PUCA_1SCEA/state_region_BLIND_proxy.tsv b/bench/main_benchmark/annotations/SFB_OL_SUC1_1PUCA_1SCEA/state_region_BLIND_proxy.tsv new file mode 100644 index 0000000000000000000000000000000000000000..07f2a7c00395f4aef3727fa1d0794d30b0fbf607 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_SUC1_1PUCA_1SCEA/state_region_BLIND_proxy.tsv @@ -0,0 +1,103 @@ +# CASE-BLIND proxy. To be filled by FrustrAI-Seq and MSA column variance. +residue_index_query fi_top25 msa_var_top25 +1 0 0 +2 0 0 +3 0 0 +4 0 0 +5 0 0 +6 0 0 +7 0 0 +8 0 0 +9 1 0 +10 1 0 +11 0 0 +12 0 0 +13 0 0 +14 0 0 +15 0 1 +16 1 1 +17 1 1 +18 0 1 +19 0 1 +20 1 0 +21 1 1 +22 0 0 +23 0 1 +24 1 0 +25 0 1 +26 0 0 +27 0 0 +28 0 1 +29 0 0 +30 0 0 +31 0 1 +32 0 0 +33 0 0 +34 0 1 +35 0 0 +36 0 0 +37 0 0 +38 0 0 +39 0 0 +40 1 0 +41 1 1 +42 1 0 +43 0 0 +44 0 0 +45 0 1 +46 1 1 +47 1 0 +48 0 0 +49 0 1 +50 1 1 +51 0 0 +52 0 1 +53 0 1 +54 0 0 +55 0 0 +56 0 0 +57 0 0 +58 0 1 +59 0 1 +60 0 0 +61 0 1 +62 1 1 +63 0 0 +64 1 0 +65 1 0 +66 0 1 +67 0 0 +68 0 1 +69 0 0 +70 0 0 +71 1 0 +72 0 0 +73 1 0 +74 0 0 +75 1 0 +76 0 0 +77 0 0 +78 0 0 +79 1 0 +80 0 0 +81 0 0 +82 0 0 +83 0 0 +84 0 0 +85 0 0 +86 1 1 +87 0 0 +88 1 1 +89 0 0 +90 0 0 +91 0 0 +92 0 0 +93 1 0 +94 1 0 +95 1 0 +96 1 0 +97 0 0 +98 0 0 +99 0 0 +100 0 0 +101 0 0 diff --git a/bench/main_benchmark/annotations/SFB_OL_SUC1_1PUCA_1SCEA/state_region_FINAL.tsv b/bench/main_benchmark/annotations/SFB_OL_SUC1_1PUCA_1SCEA/state_region_FINAL.tsv new file mode 100644 index 0000000000000000000000000000000000000000..1f9fbbe8ae26e1710f0da6ade310729b512f1853 --- /dev/null +++ b/bench/main_benchmark/annotations/SFB_OL_SUC1_1PUCA_1SCEA/state_region_FINAL.tsv @@ -0,0 +1,101 @@ +# ORACLE annotation. DO NOT use as feature input. Evaluator only. +# common_core: residues with CA in both states AND |displacement| < 3.0 A (after iterative Kabsch w/ outlier trimming) +# switch_region_3A: residues with CA in both states AND |displacement| >= 3.0 A +residue_index_query resnum_state_A displacement_A common_core switch_region_3A +5 6 7.123 0 1 +6 7 3.553 0 1 +7 8 0.402 1 0 +8 9 0.765 1 0 +9 10 0.509 1 0 +10 11 0.911 1 0 +11 12 0.842 1 0 +12 13 1.023 1 0 +13 14 0.447 1 0 +14 15 0.556 1 0 +15 16 0.637 1 0 +16 17 0.493 1 0 +17 18 0.485 1 0 +18 19 0.990 1 0 +19 20 1.063 1 0 +20 21 0.755 1 0 +21 22 0.851 1 0 +22 23 0.555 1 0 +23 24 0.317 1 0 +24 25 0.374 1 0 +25 26 0.423 1 0 +26 27 0.225 1 0 +27 28 0.205 1 0 +28 29 0.295 1 0 +29 30 0.549 1 0 +30 31 0.241 1 0 +31 32 0.651 1 0 +32 33 0.858 1 0 +33 34 1.209 1 0 +34 35 1.149 1 0 +35 36 0.802 1 0 +36 37 0.492 1 0 +37 38 0.550 1 0 +38 39 0.232 1 0 +39 40 0.383 1 0 +40 41 0.348 1 0 +41 42 0.478 1 0 +42 43 0.306 1 0 +43 44 0.491 1 0 +44 45 0.461 1 0 +45 46 0.299 1 0 +46 47 0.280 1 0 +47 48 0.327 1 0 +48 49 0.254 1 0 +49 50 0.162 1 0 +50 51 0.330 1 0 +51 52 0.274 1 0 +52 53 0.384 1 0 +53 54 0.517 1 0 +54 55 0.298 1 0 +55 56 0.462 1 0 +56 57 1.072 1 0 +57 58 1.107 1 0 +58 59 1.466 1 0 +59 60 1.532 1 0 +60 61 0.876 1 0 +61 62 0.848 1 0 +62 63 0.567 1 0 +63 64 0.437 1 0 +64 65 0.368 1 0 +65 66 0.419 1 0 +66 67 0.476 1 0 +67 68 0.471 1 0 +68 69 0.460 1 0 +69 70 0.385 1 0 +70 71 0.321 1 0 +71 72 0.393 1 0 +72 73 0.475 1 0 +73 74 0.547 1 0 +74 75 0.526 1 0 +75 76 0.448 1 0 +76 77 0.388 1 0 +77 78 0.329 1 0 +78 79 0.453 1 0 +79 80 0.573 1 0 +80 81 0.076 1 0 +81 82 0.419 1 0 +82 83 0.392 1 0 +83 84 0.331 1 0 +84 85 0.433 1 0 +85 86 0.656 1 0 +86 87 1.252 1 0 +87 88 1.823 1 0 +88 89 1.297 1 0 +89 90 1.491 1 0 +90 91 1.213 1 0 +91 92 1.360 1 0 +92 93 1.245 1 0 +93 94 1.663 1 0 +94 95 2.415 1 0 +95 96 3.306 0 1 +96 97 4.612 0 1 +97 98 5.482 0 1 +98 99 6.795 0 1 +99 100 7.543 0 1 +100 101 8.880 0 1 +101 102 9.802 0 1 diff --git a/bench/main_benchmark/cases.yaml b/bench/main_benchmark/cases.yaml new file mode 100644 index 0000000000000000000000000000000000000000..b77b5f8173fa1d4013d879361dcdc824787e942c --- /dev/null +++ b/bench/main_benchmark/cases.yaml @@ -0,0 +1,1290 @@ +cases: +- case_id: SFB_FS_A1AT_1QLPA_1OPHA + pattern: fold_switch_metamorphic + query_uniprot: P01009 + query_pdb: 1QLP + query_chain: A + query_resi_range: 23..394 + query_length: 372 + state_a_pdb: 1QLP + state_a_chain: A + state_b_pdb: 1OPH + state_b_chain: A + target_state: B + expected_pattern_signature: Alpha-1 antitrypsin native serpin <-> cleaved/latent + metastable conformation + literature_ref: Elliott 1996 Nat Struct Biol + source: https://doi.org/10.1038/nsb1196-910 + notes: '' + qc: + n_common_residues: 372 + n_common_core_lt3A: 359 + n_switch_region_ge3A: 13 + core_fraction: 0.965 +- case_id: SFB_FS_CLIC1_1K0MA_1K0NA + pattern: fold_switch_metamorphic + query_uniprot: O00299 + query_pdb: 1K0M + query_chain: A + query_resi_range: 6..240 + query_length: 235 + state_a_pdb: 1K0M + state_a_chain: A + state_b_pdb: 1K0N + state_b_chain: A + target_state: B + expected_pattern_signature: CLIC1 soluble GST-fold <-> membrane chloride-channel + conformation + literature_ref: Littler 2004 J Biol Chem + source: https://doi.org/10.1074/jbc.M308444200 + notes: '' + qc: + n_common_residues: 225 + n_common_core_lt3A: 220 + n_switch_region_ge3A: 5 + core_fraction: 0.978 +- case_id: SFB_FS_DLC8_2PG1A_1F3CA + pattern: fold_switch_metamorphic + query_uniprot: P63167 + query_pdb: 2PG1 + query_chain: A + query_resi_range: 5..89 + query_length: 85 + state_a_pdb: 2PG1 + state_a_chain: A + state_b_pdb: 1F3C + state_b_chain: A + target_state: B + expected_pattern_signature: DLC8/LC8 dynein light chain dimerization-coupled fold + switch + literature_ref: Fan 2001 JMB + source: https://doi.org/10.1006/jmbi.2001.4953 + notes: '' + qc: + n_common_residues: 85 + n_common_core_lt3A: 83 + n_switch_region_ge3A: 2 + core_fraction: 0.976 +- case_id: SFB_FS_GA98GB98_2LHCA_2LHDA + pattern: fold_switch_metamorphic + query_uniprot: '' + query_pdb: 2LHC + query_chain: A + query_resi_range: 1..56 + query_length: 56 + state_a_pdb: 2LHC + state_a_chain: A + state_b_pdb: 2LHD + state_b_chain: A + target_state: B + expected_pattern_signature: 'GA98/GB98 engineered fold-switch: 3-alpha (GA) <-> + 4-beta+alpha (GB)' + literature_ref: Alexander 2009 PNAS + source: https://doi.org/10.1073/pnas.0905068106 + notes: '' + qc: + n_common_residues: 56 + n_common_core_lt3A: 10 + n_switch_region_ge3A: 46 + core_fraction: 0.179 +- case_id: SFB_FS_IscU_1WFZA_2KQKA + pattern: fold_switch_metamorphic + query_uniprot: P0ACD4 + query_pdb: 1WFZ + query_chain: A + query_resi_range: 1..130 + query_length: 130 + state_a_pdb: 1WFZ + state_a_chain: A + state_b_pdb: 2KQK + state_b_chain: A + target_state: B + expected_pattern_signature: IscU disordered (D) <-> structured (S) Fe-S cluster + scaffold + literature_ref: Kim 2012 PNAS + source: https://doi.org/10.1073/pnas.1212358109 + notes: '' + qc: + n_common_residues: 128 + n_common_core_lt3A: 30 + n_switch_region_ge3A: 98 + core_fraction: 0.234 +- case_id: SFB_FS_KAIA_1R8JA_1R8QA + pattern: fold_switch_metamorphic + query_uniprot: Q79V62 + query_pdb: 1R8J + query_chain: A + query_resi_range: 1..282 + query_length: 272 + state_a_pdb: 1R8J + state_a_chain: A + state_b_pdb: 1R8Q + state_b_chain: A + target_state: B + expected_pattern_signature: KaiA C-terminal domain conformational reshuffling + literature_ref: Ye 2004 PNAS + source: https://doi.org/10.1073/pnas.0405842101 + notes: '' + qc: + n_common_residues: 169 + n_common_core_lt3A: 3 + n_switch_region_ge3A: 166 + core_fraction: 0.018 +- case_id: SFB_FS_KAIB_2QKEB_5JYTA + pattern: fold_switch_metamorphic + query_uniprot: Q79V61 + query_pdb: 2QKE + query_chain: B + query_resi_range: 5..95 + query_length: 91 + state_a_pdb: 2QKE + state_a_chain: B + state_b_pdb: 5JYT + state_b_chain: A + target_state: B + expected_pattern_signature: Thioredoxin-fold <-> KaiB-fold metamorphic switch (circadian + clock B-subunit) + literature_ref: Chang 2015 Science; Murzin 2008 Science + source: https://doi.org/10.1126/science.aaa1374 + notes: Reference metamorphic case from AF-Cluster paper + qc: + n_common_residues: 91 + n_common_core_lt3A: 44 + n_switch_region_ge3A: 47 + core_fraction: 0.484 +- case_id: SFB_FS_MAD2_1DUJA_1GO4A + pattern: fold_switch_metamorphic + query_uniprot: Q13257 + query_pdb: 1DUJ + query_chain: A + query_resi_range: 11..197 + query_length: 187 + state_a_pdb: 1DUJ + state_a_chain: A + state_b_pdb: 1GO4 + state_b_chain: A + target_state: B + expected_pattern_signature: MAD2 O-MAD2 (open) <-> C-MAD2 (closed) spindle-checkpoint + metamorphic + literature_ref: Luo 2004 Nat Struct Mol Biol + source: https://doi.org/10.1038/nsmb748 + notes: '' + qc: + n_common_residues: 187 + n_common_core_lt3A: 9 + n_switch_region_ge3A: 178 + core_fraction: 0.048 +- case_id: SFB_FS_MPT53_1LU4A_3EMXA + pattern: fold_switch_metamorphic + query_uniprot: P9WG70 + query_pdb: 1LU4 + query_chain: A + query_resi_range: 1001..1134 + query_length: 134 + state_a_pdb: 1LU4 + state_a_chain: A + state_b_pdb: 3EMX + state_b_chain: A + target_state: B + expected_pattern_signature: 'Mpt53 secreted disulfide-isomerase: alternate fold + candidate (DALI hit 3EMX, Aeropyrum pernix thioredoxin)' + literature_ref: Goulding 2004 J Mol Biol + source: https://doi.org/10.1016/j.jmb.2004.05.060 + notes: Pair-aligned by positional CA index because 1LU4 (1001..1134) and 3EMX (224..347) + share no residue numbers. 3EMX is a DALI hit only; biological metamorphism not + proven. + qc: + n_common_residues: 124 + n_common_core_lt3A: 1 + n_switch_region_ge3A: 123 + core_fraction: 0.008 +- case_id: SFB_FS_NTRC2_1NY3A_3DZEA + pattern: fold_switch_metamorphic + query_uniprot: P0AFB8 + query_pdb: 1NY3 + query_chain: A + query_resi_range: 46..345 + query_length: 277 + state_a_pdb: 1NY3 + state_a_chain: A + state_b_pdb: 3DZE + state_b_chain: A + target_state: B + expected_pattern_signature: NtrC receiver domain inactive <-> active fold-switch-like + rearrangement + literature_ref: Hastings 2008 PNAS + source: https://doi.org/10.1073/pnas.0709728105 + notes: '' + qc: + n_common_residues: 124 + n_common_core_lt3A: 1 + n_switch_region_ge3A: 123 + core_fraction: 0.008 +- case_id: SFB_FS_NUSG_2K06A_2LQ8A + pattern: fold_switch_metamorphic + query_uniprot: P0AFG0 + query_pdb: 2K06 + query_chain: A + query_resi_range: 1..123 + query_length: 123 + state_a_pdb: 2K06 + state_a_chain: A + state_b_pdb: 2LQ8 + state_b_chain: A + target_state: B + expected_pattern_signature: 'NusG-SP CTD: KOW-fold <-> alpha-hairpin metamorphic' + literature_ref: Burmann 2010 Science + source: https://doi.org/10.1126/science.1184953 + notes: '' + qc: + n_common_residues: 123 + n_common_core_lt3A: 2 + n_switch_region_ge3A: 121 + core_fraction: 0.016 +- case_id: SFB_FS_P13_2I4ZA_4M1EA + pattern: fold_switch_metamorphic + query_uniprot: Q98DV5 + query_pdb: 2I4Z + query_chain: A + query_resi_range: 207..476 + query_length: 270 + state_a_pdb: 2I4Z + state_a_chain: A + state_b_pdb: 4M1E + state_b_chain: A + target_state: B + expected_pattern_signature: p13 metamorphic protein (intracellular signaling) + literature_ref: Roessler 2015 JMB + source: https://doi.org/10.1016/j.jmb.2014.10.010 + notes: '' + qc: + n_common_residues: 67 + n_common_core_lt3A: 3 + n_switch_region_ge3A: 64 + core_fraction: 0.045 +- case_id: SFB_FS_RFAH_5ONDA_6C6SD + pattern: fold_switch_metamorphic + query_uniprot: P0AFW0 + query_pdb: 5OND + query_chain: A + query_resi_range: 1..155 + query_length: 135 + state_a_pdb: 5OND + state_a_chain: A + state_b_pdb: 6C6S + state_b_chain: D + target_state: B + expected_pattern_signature: 'RfaH CTD: alpha-helical hairpin <-> beta-barrel (transcription/translation + coupling)' + literature_ref: Burmann 2012 Cell; Zuber 2018 Nat Commun + source: https://doi.org/10.1038/s41467-019-10918-2 + notes: '' + qc: + n_common_residues: 134 + n_common_core_lt3A: 79 + n_switch_region_ge3A: 55 + core_fraction: 0.59 +- case_id: SFB_FS_SELECASE_4QHFA_4QHGA + pattern: fold_switch_metamorphic + query_uniprot: I3VWL5 + query_pdb: 4QHF + query_chain: A + query_resi_range: 1..109 + query_length: 109 + state_a_pdb: 4QHF + state_a_chain: A + state_b_pdb: 4QHG + state_b_chain: A + target_state: B + expected_pattern_signature: Selecase oligomer monomer fold switch (zinc metallopeptidase) + literature_ref: Lopez-Pelegrin 2014 Cell Rep + source: https://doi.org/10.1016/j.celrep.2014.06.012 + notes: '' + qc: + n_common_residues: 107 + n_common_core_lt3A: 99 + n_switch_region_ge3A: 8 + core_fraction: 0.925 +- case_id: SFB_FS_XCL1_1J8IA_2JP1A + pattern: fold_switch_metamorphic + query_uniprot: P47992 + query_pdb: 1J8I + query_chain: A + query_resi_range: 1..93 + query_length: 93 + state_a_pdb: 1J8I + state_a_chain: A + state_b_pdb: 2JP1 + state_b_chain: A + target_state: B + expected_pattern_signature: 'Lymphotactin: chemokine-fold <-> all-beta dimer fold + metamorphic switch' + literature_ref: Tuinstra 2008 PNAS + source: https://doi.org/10.1073/pnas.0711389105 + notes: '' + qc: + n_common_residues: 60 + n_common_core_lt3A: 20 + n_switch_region_ge3A: 40 + core_fraction: 0.333 +- case_id: SFB_AL_AKE_4AKEA_1AKEA + pattern: allosteric_ligand_induced + query_uniprot: P69441 + query_pdb: 4AKE + query_chain: A + query_resi_range: 1..214 + query_length: 214 + state_a_pdb: 4AKE + state_a_chain: A + state_b_pdb: 1AKE + state_b_chain: A + target_state: B + expected_pattern_signature: Adenylate kinase open (apo) <-> closed (Ap5A-bound) + lid-rearrangement + literature_ref: Muller 1992 JMB; Henzler-Wildman 2007 Nature + source: https://doi.org/10.1038/nature06407 + notes: '' + qc: + n_common_residues: 214 + n_common_core_lt3A: 126 + n_switch_region_ge3A: 88 + core_fraction: 0.589 +- case_id: SFB_AL_CALM_1CFDA_1CLLA + pattern: allosteric_ligand_induced + query_uniprot: P0DP23 + query_pdb: 1CFD + query_chain: A + query_resi_range: 1..148 + query_length: 148 + state_a_pdb: 1CFD + state_a_chain: A + state_b_pdb: 1CLL + state_b_chain: A + target_state: B + expected_pattern_signature: Calmodulin apo (collapsed) <-> Ca2+-bound (extended) + conformational switch + literature_ref: Kuboniwa 1995 Nat Struct Biol + source: https://doi.org/10.1038/nsb0995-768 + notes: '' + qc: + n_common_residues: 144 + n_common_core_lt3A: 21 + n_switch_region_ge3A: 123 + core_fraction: 0.146 +- case_id: SFB_AL_CDK6_1BI7A_2EUFB + pattern: allosteric_ligand_induced + query_uniprot: Q00534 + query_pdb: 1BI7 + query_chain: A + query_resi_range: 10..301 + query_length: 269 + state_a_pdb: 1BI7 + state_a_chain: A + state_b_pdb: 2EUF + state_b_chain: B + target_state: B + expected_pattern_signature: CDK6 kinase inactive (p16-bound) <-> active (V-cyclin) + literature_ref: Russo 1998 Nat Struct Biol + source: https://doi.org/10.1038/sb0498-262 + notes: '' + qc: + n_common_residues: 255 + n_common_core_lt3A: 180 + n_switch_region_ge3A: 75 + core_fraction: 0.706 +- case_id: SFB_AL_CHEY_3CHYA_1FQWA + pattern: allosteric_ligand_induced + query_uniprot: P0AE67 + query_pdb: 3CHY + query_chain: A + query_resi_range: 2..129 + query_length: 128 + state_a_pdb: 3CHY + state_a_chain: A + state_b_pdb: 1FQW + state_b_chain: A + target_state: B + expected_pattern_signature: CheY response regulator inactive <-> active (Mg-BeF3 + phosphorylated) + literature_ref: Lee 2001 Nat Struct Biol + source: https://doi.org/10.1038/85661 + notes: '' + qc: + n_common_residues: 128 + n_common_core_lt3A: 127 + n_switch_region_ge3A: 1 + core_fraction: 0.992 +- case_id: SFB_AL_DHFR_1RX1A_1RX4A + pattern: allosteric_ligand_induced + query_uniprot: P0ABQ4 + query_pdb: 1RX1 + query_chain: A + query_resi_range: 1..159 + query_length: 159 + state_a_pdb: 1RX1 + state_a_chain: A + state_b_pdb: 1RX4 + state_b_chain: A + target_state: B + expected_pattern_signature: DHFR Met20 loop closed <-> occluded (folate/NADP intermediate) + literature_ref: Sawaya 1997 Biochemistry + source: https://doi.org/10.1021/bi962337c + notes: '' + qc: + n_common_residues: 159 + n_common_core_lt3A: 156 + n_switch_region_ge3A: 3 + core_fraction: 0.981 +- case_id: SFB_AL_EGFR_2GS2A_1XKKA + pattern: allosteric_ligand_induced + query_uniprot: P00533 + query_pdb: 2GS2 + query_chain: A + query_resi_range: 672..994 + query_length: 305 + state_a_pdb: 2GS2 + state_a_chain: A + state_b_pdb: 1XKK + state_b_chain: A + target_state: B + expected_pattern_signature: EGFR kinase inactive (lapatinib) <-> active asymmetric + dimer + literature_ref: Wood 2004 Cancer Res + source: https://doi.org/10.1158/0008-5472.CAN-04-1168 + notes: '' + qc: + n_common_residues: 252 + n_common_core_lt3A: 2 + n_switch_region_ge3A: 250 + core_fraction: 0.008 +- case_id: SFB_AL_GLNBP_1GGGA_1WDNA + pattern: allosteric_ligand_induced + query_uniprot: P0AEQ3 + query_pdb: 1GGG + query_chain: A + query_resi_range: 5..224 + query_length: 220 + state_a_pdb: 1GGG + state_a_chain: A + state_b_pdb: 1WDN + state_b_chain: A + target_state: B + expected_pattern_signature: Glutamine-binding protein open (apo) <-> closed (Gln-bound) + literature_ref: Hsiao 1996 JMB + source: https://doi.org/10.1006/jmbi.1996.0438 + notes: '' + qc: + n_common_residues: 220 + n_common_core_lt3A: 131 + n_switch_region_ge3A: 89 + core_fraction: 0.595 +- case_id: SFB_AL_LIVBP_2LIVA_1Z15A + pattern: allosteric_ligand_induced + query_uniprot: P0AD96 + query_pdb: 2LIV + query_chain: A + query_resi_range: 1..344 + query_length: 344 + state_a_pdb: 2LIV + state_a_chain: A + state_b_pdb: 1Z15 + state_b_chain: A + target_state: B + expected_pattern_signature: Leucine/Ile/Val-BP open (apo) <-> closed (Leu-bound) + hinge motion + literature_ref: Sack 1989 JMB + source: https://doi.org/10.1016/0022-2836(89)90342-6 + notes: '' + qc: + n_common_residues: 344 + n_common_core_lt3A: 341 + n_switch_region_ge3A: 3 + core_fraction: 0.991 +- case_id: SFB_AL_MBP_1OMPA_1ANFA + pattern: allosteric_ligand_induced + query_uniprot: P0AEX9 + query_pdb: 1OMP + query_chain: A + query_resi_range: 1..370 + query_length: 370 + state_a_pdb: 1OMP + state_a_chain: A + state_b_pdb: 1ANF + state_b_chain: A + target_state: B + expected_pattern_signature: Maltose-binding protein open (apo) <-> closed (maltose-bound) + literature_ref: Sharff 1992 Biochemistry + source: https://doi.org/10.1021/bi00163a008 + notes: '' + qc: + n_common_residues: 370 + n_common_core_lt3A: 223 + n_switch_region_ge3A: 147 + core_fraction: 0.603 +- case_id: SFB_AL_MEK1_3EQIA_3MBLA + pattern: allosteric_ligand_induced + query_uniprot: Q02750 + query_pdb: 3EQI + query_chain: A + query_resi_range: 39..382 + query_length: 315 + state_a_pdb: 3EQI + state_a_chain: A + state_b_pdb: 3MBL + state_b_chain: A + target_state: B + expected_pattern_signature: MEK1 inactive (apo) <-> active (ATP/Mg-bound) DFG flip + literature_ref: Fischmann 2009 Biochemistry + source: https://doi.org/10.1021/bi900132f + notes: '' + qc: + n_common_residues: 290 + n_common_core_lt3A: 281 + n_switch_region_ge3A: 9 + core_fraction: 0.969 +- case_id: SFB_AL_PHOB_1B00A_1ZESA + pattern: allosteric_ligand_induced + query_uniprot: P0AFJ5 + query_pdb: 1B00 + query_chain: A + query_resi_range: 2..123 + query_length: 122 + state_a_pdb: 1B00 + state_a_chain: A + state_b_pdb: 1ZES + state_b_chain: A + target_state: B + expected_pattern_signature: PhoB response-regulator inactive <-> active (BeF3) + literature_ref: Bachhawat 2005 Structure + source: https://doi.org/10.1016/j.str.2005.04.016 + notes: '' + qc: + n_common_residues: 121 + n_common_core_lt3A: 108 + n_switch_region_ge3A: 13 + core_fraction: 0.893 +- case_id: SFB_AL_PKA_1ATPE_2CPKE + pattern: allosteric_ligand_induced + query_uniprot: P00517 + query_pdb: 1ATP + query_chain: E + query_resi_range: 15..350 + query_length: 334 + state_a_pdb: 1ATP + state_a_chain: E + state_b_pdb: 2CPK + state_b_chain: E + target_state: B + expected_pattern_signature: PKA catalytic subunit closed (Mg-ATP-PKI) <-> open (apo) + literature_ref: Knighton 1991 Science + source: https://doi.org/10.1126/science.1862342 + notes: '' + qc: + n_common_residues: 333 + n_common_core_lt3A: 333 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_AL_RAS_4Q21A_5P21A + pattern: allosteric_ligand_induced + query_uniprot: P01112 + query_pdb: 4Q21 + query_chain: A + query_resi_range: 1..169 + query_length: 169 + state_a_pdb: 4Q21 + state_a_chain: A + state_b_pdb: 5P21 + state_b_chain: A + target_state: B + expected_pattern_signature: H-Ras GDP-bound (inactive) <-> GTP-analog (active) Switch + I/II + literature_ref: Milburn 1990 Science + source: https://doi.org/10.1126/science.2406906 + notes: '' + qc: + n_common_residues: 166 + n_common_core_lt3A: 156 + n_switch_region_ge3A: 10 + core_fraction: 0.94 +- case_id: SFB_AL_RBP_1URPA_2DRIA + pattern: allosteric_ligand_induced + query_uniprot: P02925 + query_pdb: 1URP + query_chain: A + query_resi_range: 1..271 + query_length: 271 + state_a_pdb: 1URP + state_a_chain: A + state_b_pdb: 2DRI + state_b_chain: A + target_state: B + expected_pattern_signature: Ribose-binding protein open <-> closed sugar-induced + lid closure + literature_ref: Bjorkman 1994 JMB + source: https://doi.org/10.1006/jmbi.1994.1633 + notes: '' + qc: + n_common_residues: 271 + n_common_core_lt3A: 154 + n_switch_region_ge3A: 117 + core_fraction: 0.568 +- case_id: SFB_AL_SRC_2SRCA_1Y57A + pattern: allosteric_ligand_induced + query_uniprot: P12931 + query_pdb: 2SRC + query_chain: A + query_resi_range: 84..533 + query_length: 449 + state_a_pdb: 2SRC + state_a_chain: A + state_b_pdb: 1Y57 + state_b_chain: A + target_state: B + expected_pattern_signature: Src kinase autoinhibited (closed) <-> active (open) + C-helix + literature_ref: Cowan-Jacob 2005 Structure + source: https://doi.org/10.1016/j.str.2005.04.013 + notes: '' + qc: + n_common_residues: 449 + n_common_core_lt3A: 12 + n_switch_region_ge3A: 437 + core_fraction: 0.027 +- case_id: SFB_ID_ASYN_1XQ8A_1XQ8A + pattern: idp_idr_disorder_to_order + query_uniprot: P37840 + query_pdb: 1XQ8 + query_chain: A + query_resi_range: 1..140 + query_length: 140 + state_a_pdb: 1XQ8 + state_a_chain: A + state_b_pdb: 1XQ8 + state_b_chain: A + target_state: A + expected_pattern_signature: Alpha-synuclein disordered <-> lipid-bound helical conformation + literature_ref: Ulmer 2005 JBC + source: https://doi.org/10.1074/jbc.M411805200 + notes: '' + qc: + n_common_residues: 140 + n_common_core_lt3A: 140 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_BAD_1G5JB_1G5JB + pattern: idp_idr_disorder_to_order + query_uniprot: Q92934 + query_pdb: 1G5J + query_chain: B + query_resi_range: 301..325 + query_length: 25 + state_a_pdb: 1G5J + state_a_chain: B + state_b_pdb: 1G5J + state_b_chain: B + target_state: A + expected_pattern_signature: BAD BH3 IDR disorder-to-order on Bcl-xL binding + literature_ref: Petros 2000 PNAS + source: https://doi.org/10.1073/pnas.97.7.3012 + notes: '' + qc: + n_common_residues: 25 + n_common_core_lt3A: 25 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_BID_1DDBA_1DDBA + pattern: idp_idr_disorder_to_order + query_uniprot: P55957 + query_pdb: 1DDB + query_chain: A + query_resi_range: 1..195 + query_length: 195 + state_a_pdb: 1DDB + state_a_chain: A + state_b_pdb: 1DDB + state_b_chain: A + target_state: A + expected_pattern_signature: Bid alpha-helical bundle; BH3 region disordered-to-ordered + upon Bcl-xL binding + literature_ref: Chou 1999 Cell + source: https://doi.org/10.1016/S0092-8674(00)80572-3 + notes: '' + qc: + n_common_residues: 195 + n_common_core_lt3A: 195 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_CJUN_1JNMB_1JNMB + pattern: idp_idr_disorder_to_order + query_uniprot: P05412 + query_pdb: 1JNM + query_chain: B + query_resi_range: 254..310 + query_length: 57 + state_a_pdb: 1JNM + state_a_chain: B + state_b_pdb: 1JNM + state_b_chain: B + target_state: A + expected_pattern_signature: c-Jun bZIP disorder-to-order coiled coil upon DNA binding/dimerization + literature_ref: Glover 1995 Nature + source: https://doi.org/10.1038/373257a0 + notes: '' + qc: + n_common_residues: 57 + n_common_core_lt3A: 57 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_CREB_1KDXB_1KDXB + pattern: idp_idr_disorder_to_order + query_uniprot: P16220 + query_pdb: 1KDX + query_chain: B + query_resi_range: 119..146 + query_length: 27 + state_a_pdb: 1KDX + state_a_chain: B + state_b_pdb: 1KDX + state_b_chain: B + target_state: A + expected_pattern_signature: CREB pKID alpha-helical disorder-to-order on KIX of + CBP + literature_ref: Radhakrishnan 1997 Cell + source: https://doi.org/10.1016/S0092-8674(00)80463-8 + notes: '' + qc: + n_common_residues: 27 + n_common_core_lt3A: 27 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_EIF4E_1WKWB_1WKWB + pattern: idp_idr_disorder_to_order + query_uniprot: Q13541 + query_pdb: 1WKW + query_chain: B + query_resi_range: 47..66 + query_length: 20 + state_a_pdb: 1WKW + state_a_chain: B + state_b_pdb: 1WKW + state_b_chain: B + target_state: A + expected_pattern_signature: 4E-BP1 IDR ordered alpha-helix when bound eIF4E + literature_ref: Marcotrigiano 1999 Mol Cell + source: https://doi.org/10.1016/S1097-2765(00)80194-6 + notes: '' + qc: + n_common_residues: 20 + n_common_core_lt3A: 20 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_HIF1A_1L8CB_1L8CB + pattern: idp_idr_disorder_to_order + query_uniprot: Q16665 + query_pdb: 1L8C + query_chain: B + query_resi_range: 99..149 + query_length: 51 + state_a_pdb: 1L8C + state_a_chain: B + state_b_pdb: 1L8C + state_b_chain: B + target_state: A + expected_pattern_signature: HIF-1alpha CTAD disorder-to-order helix on CBP TAZ1 + binding + literature_ref: Dames 2002 PNAS + source: https://doi.org/10.1073/pnas.082121399 + notes: '' + qc: + n_common_residues: 51 + n_common_core_lt3A: 51 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_HISTH1_1GHCA_1GHCA + pattern: idp_idr_disorder_to_order + query_uniprot: P10412 + query_pdb: 1GHC + query_chain: A + query_resi_range: 1..75 + query_length: 75 + state_a_pdb: 1GHC + state_a_chain: A + state_b_pdb: 1GHC + state_b_chain: A + target_state: A + expected_pattern_signature: Histone H1 globular domain ordered; long IDRs flank + literature_ref: Ramakrishnan 1993 Nature + source: https://doi.org/10.1038/362219a0 + notes: '' + qc: + n_common_residues: 75 + n_common_core_lt3A: 75 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_HMGB1_1AABA_1AABA + pattern: idp_idr_disorder_to_order + query_uniprot: P09429 + query_pdb: 1AAB + query_chain: A + query_resi_range: 1..83 + query_length: 83 + state_a_pdb: 1AAB + state_a_chain: A + state_b_pdb: 1AAB + state_b_chain: A + target_state: A + expected_pattern_signature: 'HMGB1 box A: ordered when bound DNA; flexible apo termini' + literature_ref: Hardman 1995 Biochemistry + source: https://doi.org/10.1021/bi00050a012 + notes: '' + qc: + n_common_residues: 83 + n_common_core_lt3A: 83 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_NCOA1_1KBHB_1KBHB + pattern: idp_idr_disorder_to_order + query_uniprot: Q15788 + query_pdb: 1KBH + query_chain: B + query_resi_range: 48..106 + query_length: 59 + state_a_pdb: 1KBH + state_a_chain: B + state_b_pdb: 1KBH + state_b_chain: B + target_state: A + expected_pattern_signature: NCOA1 NRID disorder-to-order helical when bound to CBP + literature_ref: Demarest 2002 Nature + source: https://doi.org/10.1038/nature724 + notes: '' + qc: + n_common_residues: 59 + n_common_core_lt3A: 59 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_NUMB_1WJ1A_1WJ1A + pattern: idp_idr_disorder_to_order + query_uniprot: P49757 + query_pdb: 1WJ1 + query_chain: A + query_resi_range: 1..156 + query_length: 156 + state_a_pdb: 1WJ1 + state_a_chain: A + state_b_pdb: 1WJ1 + state_b_chain: A + target_state: A + expected_pattern_signature: Numb PTB IDR disorder-to-order on peptide binding + literature_ref: Li 1998 EMBO J + source: https://doi.org/10.1093/emboj/17.24.7320 + notes: '' + qc: + n_common_residues: 156 + n_common_core_lt3A: 156 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_P27_1JSUC_1JSUC + pattern: idp_idr_disorder_to_order + query_uniprot: P46527 + query_pdb: 1JSU + query_chain: C + query_resi_range: 25..93 + query_length: 69 + state_a_pdb: 1JSU + state_a_chain: C + state_b_pdb: 1JSU + state_b_chain: C + target_state: A + expected_pattern_signature: p27 KID region disorder-to-order upon Cdk2/cyclinA binding + literature_ref: Russo 1996 Nature + source: https://doi.org/10.1038/382325a0 + notes: p27 alone is disordered; bound to Cdk2/CycA forms extended ordered conformation + qc: + n_common_residues: 69 + n_common_core_lt3A: 69 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_P53TAD_2K8FA_2K8FA + pattern: idp_idr_disorder_to_order + query_uniprot: P04637 + query_pdb: 2K8F + query_chain: A + query_resi_range: 1..90 + query_length: 90 + state_a_pdb: 2K8F + state_a_chain: A + state_b_pdb: 2K8F + state_b_chain: A + target_state: A + expected_pattern_signature: p53 TAD2 disorder-to-order helical conformation + literature_ref: Lee 2010 PNAS + source: https://doi.org/10.1073/pnas.0915169107 + notes: '' + qc: + n_common_residues: 90 + n_common_core_lt3A: 90 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_PKID_1KDXB_1KDXB + pattern: idp_idr_disorder_to_order + query_uniprot: Q01147 + query_pdb: 1KDX + query_chain: B + query_resi_range: 119..146 + query_length: 27 + state_a_pdb: 1KDX + state_a_chain: B + state_b_pdb: 1KDX + state_b_chain: B + target_state: A + expected_pattern_signature: pKID disorder-to-order upon KIX binding (CREB-CBP) + literature_ref: Radhakrishnan 1997 Cell + source: https://doi.org/10.1016/S0092-8674(00)80463-8 + notes: '' + qc: + n_common_residues: 27 + n_common_core_lt3A: 27 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_ID_PUMA_2M04B_2M04B + pattern: idp_idr_disorder_to_order + query_uniprot: Q9BXH1 + query_pdb: 2M04 + query_chain: B + query_resi_range: 68..92 + query_length: 25 + state_a_pdb: 2M04 + state_a_chain: B + state_b_pdb: 2M04 + state_b_chain: B + target_state: A + expected_pattern_signature: PUMA BH3-only IDR forms ordered helix bound to Bcl-xL + literature_ref: Rogers 2014 Structure + source: https://doi.org/10.1016/j.str.2014.02.005 + notes: '' + qc: + n_common_residues: 25 + n_common_core_lt3A: 25 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_OL_BARNASE_1A2PA_1YVSA + pattern: oligomer_domain_swap + query_uniprot: P00648 + query_pdb: 1A2P + query_chain: A + query_resi_range: 3..110 + query_length: 108 + state_a_pdb: 1A2P + state_a_chain: A + state_b_pdb: 1YVS + state_b_chain: A + target_state: B + expected_pattern_signature: Barnase monomer <-> engineered domain-swapped dimer + literature_ref: Zegers 1999 PNAS + source: https://doi.org/10.1073/pnas.96.3.818 + notes: '' + qc: + n_common_residues: 108 + n_common_core_lt3A: 70 + n_switch_region_ge3A: 38 + core_fraction: 0.648 +- case_id: SFB_OL_BCLXL_1LXLA_1R2DA + pattern: oligomer_domain_swap + query_uniprot: Q07817 + query_pdb: 1LXL + query_chain: A + query_resi_range: -3..217 + query_length: 221 + state_a_pdb: 1LXL + state_a_chain: A + state_b_pdb: 1R2D + state_b_chain: A + target_state: B + expected_pattern_signature: Bcl-xL monomer <-> domain-swapped dimer (apoptosis regulator) + literature_ref: Muchmore 1996 Nature + source: https://doi.org/10.1038/381335a0 + notes: '' + qc: + n_common_residues: 142 + n_common_core_lt3A: 125 + n_switch_region_ge3A: 17 + core_fraction: 0.88 +- case_id: SFB_OL_CALBD9K_4ICBA_1HT9A + pattern: oligomer_domain_swap + query_uniprot: P05937 + query_pdb: 4ICB + query_chain: A + query_resi_range: 0..75 + query_length: 76 + state_a_pdb: 4ICB + state_a_chain: A + state_b_pdb: 1HT9 + state_b_chain: A + target_state: B + expected_pattern_signature: Calbindin D9k monomer <-> domain-swapped dimer (EF-hand) + literature_ref: Hakansson 2001 Protein Sci + source: https://doi.org/10.1110/ps.06301 + notes: '' + qc: + n_common_residues: 76 + n_common_core_lt3A: 44 + n_switch_region_ge3A: 32 + core_fraction: 0.579 +- case_id: SFB_OL_CCL2_1DOKA_1DOMA + pattern: oligomer_domain_swap + query_uniprot: P13500 + query_pdb: 1DOK + query_chain: A + query_resi_range: 0..71 + query_length: 72 + state_a_pdb: 1DOK + state_a_chain: A + state_b_pdb: 1DOM + state_b_chain: A + target_state: B + expected_pattern_signature: CCL2/MCP-1 monomer (1DOK) <-> dimer (1DOM) chemokine + assembly + literature_ref: Lubkowski 1997 Nat Struct Biol + source: https://doi.org/10.1038/nsb0197-64 + notes: '' + qc: + n_common_residues: 71 + n_common_core_lt3A: 66 + n_switch_region_ge3A: 5 + core_fraction: 0.93 +- case_id: SFB_OL_CVN_1IIYA_3EZMA + pattern: oligomer_domain_swap + query_uniprot: P81180 + query_pdb: 1IIY + query_chain: A + query_resi_range: 1..101 + query_length: 101 + state_a_pdb: 1IIY + state_a_chain: A + state_b_pdb: 3EZM + state_b_chain: A + target_state: B + expected_pattern_signature: Cyanovirin-N monomer <-> domain-swapped dimer (HIV-binding + lectin) + literature_ref: Yang 1999 JMB + source: https://doi.org/10.1006/jmbi.1999.3293 + notes: '' + qc: + n_common_residues: 101 + n_common_core_lt3A: 2 + n_switch_region_ge3A: 99 + core_fraction: 0.02 +- case_id: SFB_OL_CYSTC_3GAXA_1TIJA + pattern: oligomer_domain_swap + query_uniprot: P01034 + query_pdb: 3GAX + query_chain: A + query_resi_range: 12..120 + query_length: 107 + state_a_pdb: 3GAX + state_a_chain: A + state_b_pdb: 1TIJ + state_b_chain: A + target_state: B + expected_pattern_signature: Cystatin C monomer (3GAX) <-> domain-swapped dimer (1TIJ) + literature_ref: Janowski 2001 Nat Struct Biol + source: https://doi.org/10.1038/89638 + notes: '' + qc: + n_common_residues: 107 + n_common_core_lt3A: 56 + n_switch_region_ge3A: 51 + core_fraction: 0.523 +- case_id: SFB_OL_DTOX_1F0LA_1DDTA + pattern: oligomer_domain_swap + query_uniprot: P00588 + query_pdb: 1F0L + query_chain: A + query_resi_range: 1..535 + query_length: 520 + state_a_pdb: 1F0L + state_a_chain: A + state_b_pdb: 1DDT + state_b_chain: A + target_state: B + expected_pattern_signature: Diphtheria toxin monomer <-> domain-swapped dimer + literature_ref: Bennett 1994 Protein Sci + source: https://doi.org/10.1002/pro.5560030917 + notes: '' + qc: + n_common_residues: 520 + n_common_core_lt3A: 363 + n_switch_region_ge3A: 157 + core_fraction: 0.698 +- case_id: SFB_OL_ENGRAILED_1ENHA_2JWTA + pattern: oligomer_domain_swap + query_uniprot: P02836 + query_pdb: 1ENH + query_chain: A + query_resi_range: 3..56 + query_length: 54 + state_a_pdb: 1ENH + state_a_chain: A + state_b_pdb: 2JWT + state_b_chain: A + target_state: B + expected_pattern_signature: Engrailed homeodomain monomer <-> swapped dimer + literature_ref: Clarke 1994 Structure + source: https://doi.org/10.1016/S0969-2126(00)00006-7 + notes: '' + qc: + n_common_residues: 54 + n_common_core_lt3A: 51 + n_switch_region_ge3A: 3 + core_fraction: 0.944 +- case_id: SFB_OL_ETA_1AOHA_1AOHB + pattern: oligomer_domain_swap + query_uniprot: P00552 + query_pdb: 1AOH + query_chain: A + query_resi_range: 5..147 + query_length: 143 + state_a_pdb: 1AOH + state_a_chain: A + state_b_pdb: 1AOH + state_b_chain: B + target_state: B + expected_pattern_signature: Eta toxin monomer <-> swapped oligomeric form + literature_ref: Bennett 1995 PNAS + source: https://doi.org/10.1073/pnas.91.8.3127 + notes: '' + qc: + n_common_residues: 143 + n_common_core_lt3A: 143 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_OL_GB1SW_2QMTA_1Q9VA + pattern: oligomer_domain_swap + query_uniprot: P19909 + query_pdb: 2QMT + query_chain: A + query_resi_range: 1..56 + query_length: 56 + state_a_pdb: 2QMT + state_a_chain: A + state_b_pdb: 1Q9V + state_b_chain: A + target_state: B + expected_pattern_signature: Protein GB1 monomer <-> domain-swapped tetramer (engineered) + literature_ref: Byeon 2003 JMB + source: https://doi.org/10.1016/j.jmb.2003.08.005 + notes: '' + qc: + n_common_residues: 56 + n_common_core_lt3A: 0 + n_switch_region_ge3A: 56 + core_fraction: 0.0 +- case_id: SFB_OL_HIVPR_1HHPA_3HVPA + pattern: oligomer_domain_swap + query_uniprot: P03366 + query_pdb: 1HHP + query_chain: A + query_resi_range: 1..99 + query_length: 99 + state_a_pdb: 1HHP + state_a_chain: A + state_b_pdb: 3HVP + state_b_chain: A + target_state: B + expected_pattern_signature: HIV-1 protease dimer interface conformation (1HHP) <-> + alternate (3HVP) + literature_ref: Spinelli 1991 Biochimie + source: https://doi.org/10.1016/0300-9084(91)90168-Z + notes: '' + qc: + n_common_residues: 97 + n_common_core_lt3A: 97 + n_switch_region_ge3A: 0 + core_fraction: 1.0 +- case_id: SFB_OL_IL5_1HULA_1HULB + pattern: oligomer_domain_swap + query_uniprot: P05113 + query_pdb: 1HUL + query_chain: A + query_resi_range: 5..112 + query_length: 108 + state_a_pdb: 1HUL + state_a_chain: A + state_b_pdb: 1HUL + state_b_chain: B + target_state: B + expected_pattern_signature: Interleukin-5 obligate domain-swapped homodimer + literature_ref: Milburn 1993 Nature + source: https://doi.org/10.1038/363172a0 + notes: '' + qc: + n_common_residues: 108 + n_common_core_lt3A: 106 + n_switch_region_ge3A: 2 + core_fraction: 0.981 +- case_id: SFB_OL_RNASA_7RSAA_1A2WA + pattern: oligomer_domain_swap + query_uniprot: P61823 + query_pdb: 7RSA + query_chain: A + query_resi_range: 1..124 + query_length: 124 + state_a_pdb: 7RSA + state_a_chain: A + state_b_pdb: 1A2W + state_b_chain: A + target_state: B + expected_pattern_signature: Bovine RNase A monomer (7RSA) <-> C-terminal domain-swapped + dimer (1A2W) + literature_ref: Liu 1998 Protein Sci + source: https://doi.org/10.1002/pro.5560070806 + notes: '' + qc: + n_common_residues: 124 + n_common_core_lt3A: 104 + n_switch_region_ge3A: 20 + core_fraction: 0.839 +- case_id: SFB_OL_STEFINB_1STFI_2OCTA + pattern: oligomer_domain_swap + query_uniprot: P04080 + query_pdb: 1STF + query_chain: I + query_resi_range: 6..125 + query_length: 98 + state_a_pdb: 1STF + state_a_chain: I + state_b_pdb: 2OCT + state_b_chain: A + target_state: B + expected_pattern_signature: Stefin B monomer <-> domain-swapped dimer (cystatin + family) + literature_ref: Janowski 2001 Nat Struct Biol + source: https://doi.org/10.1038/89638 + notes: '' + qc: + n_common_residues: 68 + n_common_core_lt3A: 0 + n_switch_region_ge3A: 68 + core_fraction: 0.0 +- case_id: SFB_OL_SUC1_1PUCA_1SCEA + pattern: oligomer_domain_swap + query_uniprot: P14635 + query_pdb: 1PUC + query_chain: A + query_resi_range: 2..102 + query_length: 101 + state_a_pdb: 1PUC + state_a_chain: A + state_b_pdb: 1SCE + state_b_chain: A + target_state: B + expected_pattern_signature: p13suc1 closed monomer <-> beta-strand-swapped dimer + literature_ref: Bourne 1996 Cell + source: https://doi.org/10.1016/S0092-8674(00)81092-2 + notes: '' + qc: + n_common_residues: 97 + n_common_core_lt3A: 88 + n_switch_region_ge3A: 9 + core_fraction: 0.907 diff --git a/bench/main_benchmark/structures/SFB_AL_AKE_4AKEA_1AKEA/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_AKE_4AKEA_1AKEA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..92a41794645ccd8b49bd465604f4ce2d7227c194 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_AKE_4AKEA_1AKEA/state_a.pdb @@ -0,0 +1,1658 @@ +ATOM 1 N MET A 1 -10.928 -24.892 -9.518 1.00 41.45 N +ATOM 2 CA MET A 1 -9.901 -24.422 -10.479 1.00 29.02 C +ATOM 3 C MET A 1 -9.168 -23.266 -9.813 1.00 27.93 C +ATOM 4 O MET A 1 -9.802 -22.323 -9.346 1.00 26.35 O +ATOM 5 CB MET A 1 -10.585 -23.970 -11.774 1.00 34.19 C +ATOM 6 CG MET A 1 -9.650 -23.497 -12.856 1.00 35.38 C +ATOM 7 SD MET A 1 -8.384 -24.690 -13.251 1.00 47.23 S +ATOM 8 CE MET A 1 -9.002 -25.277 -14.812 1.00 57.10 C +ATOM 9 N ARG A 2 -7.851 -23.394 -9.673 1.00 18.86 N +ATOM 10 CA ARG A 2 -7.028 -22.352 -9.051 1.00 18.44 C +ATOM 11 C ARG A 2 -6.001 -21.906 -10.072 1.00 17.92 C +ATOM 12 O ARG A 2 -5.150 -22.680 -10.492 1.00 14.33 O +ATOM 13 CB ARG A 2 -6.337 -22.868 -7.801 1.00 15.82 C +ATOM 14 CG ARG A 2 -7.222 -22.919 -6.621 1.00 14.62 C +ATOM 15 CD ARG A 2 -6.632 -23.799 -5.576 1.00 16.76 C +ATOM 16 NE ARG A 2 -7.440 -23.763 -4.372 1.00 26.82 N +ATOM 17 CZ ARG A 2 -6.965 -23.881 -3.138 1.00 22.35 C +ATOM 18 NH1 ARG A 2 -5.664 -24.050 -2.932 1.00 17.01 N +ATOM 19 NH2 ARG A 2 -7.806 -23.818 -2.112 1.00 21.25 N +ATOM 20 N ILE A 3 -6.082 -20.641 -10.448 1.00 19.81 N +ATOM 21 CA ILE A 3 -5.227 -20.106 -11.463 1.00 16.20 C +ATOM 22 C ILE A 3 -4.540 -18.831 -10.985 1.00 18.99 C +ATOM 23 O ILE A 3 -5.118 -18.060 -10.228 1.00 20.46 O +ATOM 24 CB ILE A 3 -6.098 -19.813 -12.702 1.00 20.46 C +ATOM 25 CG1 ILE A 3 -6.670 -21.108 -13.263 1.00 18.10 C +ATOM 26 CG2 ILE A 3 -5.337 -19.077 -13.744 1.00 14.03 C +ATOM 27 CD1 ILE A 3 -7.875 -20.870 -14.122 1.00 14.32 C +ATOM 28 N ILE A 4 -3.263 -18.691 -11.331 1.00 18.85 N +ATOM 29 CA ILE A 4 -2.477 -17.496 -11.033 1.00 19.67 C +ATOM 30 C ILE A 4 -2.299 -16.916 -12.455 1.00 24.54 C +ATOM 31 O ILE A 4 -1.920 -17.651 -13.376 1.00 19.52 O +ATOM 32 CB ILE A 4 -1.088 -17.867 -10.428 1.00 21.12 C +ATOM 33 CG1 ILE A 4 -1.254 -18.305 -8.975 1.00 20.62 C +ATOM 34 CG2 ILE A 4 -0.134 -16.690 -10.511 1.00 17.31 C +ATOM 35 CD1 ILE A 4 -0.001 -18.800 -8.363 1.00 19.71 C +ATOM 36 N LEU A 5 -2.663 -15.647 -12.649 1.00 26.15 N +ATOM 37 CA LEU A 5 -2.565 -14.983 -13.957 1.00 20.26 C +ATOM 38 C LEU A 5 -1.444 -13.957 -13.914 1.00 14.75 C +ATOM 39 O LEU A 5 -1.535 -12.986 -13.177 1.00 15.92 O +ATOM 40 CB LEU A 5 -3.905 -14.287 -14.286 1.00 22.03 C +ATOM 41 CG LEU A 5 -4.199 -13.784 -15.709 1.00 28.96 C +ATOM 42 CD1 LEU A 5 -4.065 -14.897 -16.723 1.00 25.32 C +ATOM 43 CD2 LEU A 5 -5.602 -13.212 -15.783 1.00 28.87 C +ATOM 44 N LEU A 6 -0.381 -14.186 -14.680 1.00 20.24 N +ATOM 45 CA LEU A 6 0.768 -13.265 -14.734 1.00 20.55 C +ATOM 46 C LEU A 6 0.775 -12.442 -16.033 1.00 21.72 C +ATOM 47 O LEU A 6 0.313 -12.896 -17.077 1.00 23.55 O +ATOM 48 CB LEU A 6 2.097 -14.034 -14.657 1.00 20.72 C +ATOM 49 CG LEU A 6 2.441 -14.999 -13.526 1.00 14.85 C +ATOM 50 CD1 LEU A 6 3.800 -15.554 -13.804 1.00 22.94 C +ATOM 51 CD2 LEU A 6 2.436 -14.323 -12.202 1.00 10.35 C +ATOM 52 N GLY A 7 1.347 -11.252 -15.980 1.00 22.64 N +ATOM 53 CA GLY A 7 1.394 -10.431 -17.162 1.00 17.05 C +ATOM 54 C GLY A 7 1.994 -9.074 -16.883 1.00 19.56 C +ATOM 55 O GLY A 7 1.782 -8.467 -15.829 1.00 25.37 O +ATOM 56 N ALA A 8 2.748 -8.581 -17.852 1.00 24.85 N +ATOM 57 CA ALA A 8 3.395 -7.286 -17.735 1.00 22.13 C +ATOM 58 C ALA A 8 2.367 -6.186 -17.693 1.00 20.74 C +ATOM 59 O ALA A 8 1.232 -6.380 -18.111 1.00 23.78 O +ATOM 60 CB ALA A 8 4.341 -7.053 -18.932 1.00 23.27 C +ATOM 61 N PRO A 9 2.703 -5.066 -17.048 1.00 24.92 N +ATOM 62 CA PRO A 9 1.751 -3.951 -17.001 1.00 26.71 C +ATOM 63 C PRO A 9 1.553 -3.408 -18.438 1.00 27.23 C +ATOM 64 O PRO A 9 2.522 -3.054 -19.124 1.00 23.37 O +ATOM 65 CB PRO A 9 2.471 -2.924 -16.105 1.00 24.88 C +ATOM 66 CG PRO A 9 3.927 -3.344 -16.139 1.00 20.70 C +ATOM 67 CD PRO A 9 3.824 -4.836 -16.122 1.00 14.95 C +ATOM 68 N GLY A 10 0.310 -3.411 -18.905 1.00 23.82 N +ATOM 69 CA GLY A 10 0.015 -2.928 -20.242 1.00 33.05 C +ATOM 70 C GLY A 10 -0.312 -4.025 -21.253 1.00 40.02 C +ATOM 71 O GLY A 10 -0.853 -3.739 -22.326 1.00 49.11 O +ATOM 72 N ALA A 11 0.000 -5.277 -20.915 1.00 35.18 N +ATOM 73 CA ALA A 11 -0.245 -6.408 -21.794 1.00 30.66 C +ATOM 74 C ALA A 11 -1.725 -6.790 -21.936 1.00 35.56 C +ATOM 75 O ALA A 11 -2.084 -7.520 -22.854 1.00 44.64 O +ATOM 76 CB ALA A 11 0.572 -7.611 -21.333 1.00 27.34 C +ATOM 77 N GLY A 12 -2.573 -6.323 -21.019 1.00 38.51 N +ATOM 78 CA GLY A 12 -3.997 -6.640 -21.064 1.00 32.73 C +ATOM 79 C GLY A 12 -4.390 -8.078 -20.715 1.00 35.11 C +ATOM 80 O GLY A 12 -5.149 -8.694 -21.467 1.00 32.17 O +ATOM 81 N LYS A 13 -3.911 -8.616 -19.584 1.00 28.70 N +ATOM 82 CA LYS A 13 -4.260 -9.988 -19.188 1.00 25.61 C +ATOM 83 C LYS A 13 -5.680 -10.006 -18.658 1.00 20.57 C +ATOM 84 O LYS A 13 -6.353 -11.031 -18.675 1.00 25.81 O +ATOM 85 CB LYS A 13 -3.286 -10.535 -18.139 1.00 24.52 C +ATOM 86 CG LYS A 13 -3.122 -9.642 -16.939 1.00 31.99 C +ATOM 87 CD LYS A 13 -2.311 -10.303 -15.863 1.00 28.69 C +ATOM 88 CE LYS A 13 -2.551 -9.626 -14.520 1.00 25.37 C +ATOM 89 NZ LYS A 13 -1.805 -8.367 -14.274 1.00 37.66 N +ATOM 90 N GLY A 14 -6.132 -8.842 -18.217 1.00 25.26 N +ATOM 91 CA GLY A 14 -7.477 -8.701 -17.702 1.00 33.19 C +ATOM 92 C GLY A 14 -8.531 -9.048 -18.735 1.00 36.66 C +ATOM 93 O GLY A 14 -9.626 -9.484 -18.386 1.00 47.14 O +ATOM 94 N THR A 15 -8.180 -8.934 -20.010 1.00 43.58 N +ATOM 95 CA THR A 15 -9.115 -9.225 -21.105 1.00 41.03 C +ATOM 96 C THR A 15 -9.729 -10.637 -21.047 1.00 35.16 C +ATOM 97 O THR A 15 -10.866 -10.859 -21.471 1.00 41.12 O +ATOM 98 CB THR A 15 -8.445 -9.008 -22.522 1.00 39.87 C +ATOM 99 OG1 THR A 15 -7.462 -10.028 -22.777 1.00 33.22 O +ATOM 100 CG2 THR A 15 -7.795 -7.613 -22.614 1.00 30.71 C +ATOM 101 N GLN A 16 -9.003 -11.575 -20.468 1.00 27.06 N +ATOM 102 CA GLN A 16 -9.497 -12.931 -20.423 1.00 24.09 C +ATOM 103 C GLN A 16 -10.070 -13.344 -19.064 1.00 15.76 C +ATOM 104 O GLN A 16 -10.578 -14.443 -18.909 1.00 21.86 O +ATOM 105 CB GLN A 16 -8.375 -13.859 -20.883 1.00 32.98 C +ATOM 106 CG GLN A 16 -8.764 -14.832 -22.010 1.00 44.76 C +ATOM 107 CD GLN A 16 -9.211 -14.179 -23.318 1.00 45.91 C +ATOM 108 OE1 GLN A 16 -8.426 -13.538 -24.023 1.00 42.94 O +ATOM 109 NE2 GLN A 16 -10.471 -14.401 -23.676 1.00 53.87 N +ATOM 110 N ALA A 17 -10.089 -12.417 -18.121 1.00 15.73 N +ATOM 111 CA ALA A 17 -10.578 -12.687 -16.783 1.00 16.18 C +ATOM 112 C ALA A 17 -12.046 -13.047 -16.702 1.00 21.83 C +ATOM 113 O ALA A 17 -12.398 -14.055 -16.087 1.00 30.75 O +ATOM 114 CB ALA A 17 -10.276 -11.528 -15.885 1.00 18.36 C +ATOM 115 N GLN A 18 -12.919 -12.231 -17.286 1.00 24.00 N +ATOM 116 CA GLN A 18 -14.357 -12.543 -17.256 1.00 19.14 C +ATOM 117 C GLN A 18 -14.621 -13.930 -17.792 1.00 23.02 C +ATOM 118 O GLN A 18 -15.469 -14.647 -17.276 1.00 28.87 O +ATOM 119 CB GLN A 18 -15.158 -11.560 -18.094 1.00 30.86 C +ATOM 120 CG GLN A 18 -15.836 -10.454 -17.315 1.00 39.30 C +ATOM 121 CD GLN A 18 -16.874 -9.740 -18.151 1.00 46.90 C +ATOM 122 OE1 GLN A 18 -17.676 -10.377 -18.855 1.00 47.07 O +ATOM 123 NE2 GLN A 18 -16.866 -8.410 -18.090 1.00 49.60 N +ATOM 124 N PHE A 19 -13.902 -14.307 -18.842 1.00 24.58 N +ATOM 125 CA PHE A 19 -14.086 -15.630 -19.436 1.00 29.19 C +ATOM 126 C PHE A 19 -13.799 -16.726 -18.404 1.00 25.55 C +ATOM 127 O PHE A 19 -14.609 -17.626 -18.168 1.00 30.03 O +ATOM 128 CB PHE A 19 -13.189 -15.776 -20.691 1.00 31.02 C +ATOM 129 CG PHE A 19 -12.957 -17.207 -21.123 1.00 37.88 C +ATOM 130 CD1 PHE A 19 -14.010 -18.000 -21.575 1.00 41.93 C +ATOM 131 CD2 PHE A 19 -11.689 -17.782 -21.014 1.00 37.56 C +ATOM 132 CE1 PHE A 19 -13.804 -19.340 -21.900 1.00 36.63 C +ATOM 133 CE2 PHE A 19 -11.471 -19.120 -21.337 1.00 36.09 C +ATOM 134 CZ PHE A 19 -12.527 -19.899 -21.778 1.00 38.23 C +ATOM 135 N ILE A 20 -12.648 -16.616 -17.767 1.00 21.71 N +ATOM 136 CA ILE A 20 -12.235 -17.560 -16.776 1.00 14.79 C +ATOM 137 C ILE A 20 -13.256 -17.654 -15.644 1.00 15.12 C +ATOM 138 O ILE A 20 -13.676 -18.743 -15.305 1.00 22.51 O +ATOM 139 CB ILE A 20 -10.849 -17.187 -16.276 1.00 19.28 C +ATOM 140 CG1 ILE A 20 -9.866 -17.333 -17.431 1.00 12.35 C +ATOM 141 CG2 ILE A 20 -10.417 -18.105 -15.144 1.00 22.13 C +ATOM 142 CD1 ILE A 20 -8.545 -16.770 -17.128 1.00 11.81 C +ATOM 143 N MET A 21 -13.705 -16.535 -15.090 1.00 20.31 N +ATOM 144 CA MET A 21 -14.712 -16.590 -14.022 1.00 19.63 C +ATOM 145 C MET A 21 -15.991 -17.276 -14.527 1.00 25.58 C +ATOM 146 O MET A 21 -16.523 -18.220 -13.909 1.00 22.94 O +ATOM 147 CB MET A 21 -15.056 -15.189 -13.545 1.00 14.43 C +ATOM 148 CG MET A 21 -13.957 -14.482 -12.818 1.00 9.52 C +ATOM 149 SD MET A 21 -14.247 -12.668 -12.731 1.00 25.46 S +ATOM 150 CE MET A 21 -15.099 -12.499 -11.289 1.00 25.48 C +ATOM 151 N GLU A 22 -16.432 -16.846 -15.699 1.00 29.08 N +ATOM 152 CA GLU A 22 -17.629 -17.379 -16.311 1.00 28.54 C +ATOM 153 C GLU A 22 -17.538 -18.848 -16.683 1.00 30.09 C +ATOM 154 O GLU A 22 -18.543 -19.553 -16.679 1.00 35.19 O +ATOM 155 CB GLU A 22 -17.984 -16.553 -17.535 1.00 33.18 C +ATOM 156 CG GLU A 22 -19.271 -16.996 -18.223 1.00 51.95 C +ATOM 157 CD GLU A 22 -20.171 -15.833 -18.616 1.00 62.16 C +ATOM 158 OE1 GLU A 22 -19.661 -14.689 -18.762 1.00 66.90 O +ATOM 159 OE2 GLU A 22 -21.395 -16.069 -18.773 1.00 69.38 O +ATOM 160 N LYS A 23 -16.347 -19.333 -16.988 1.00 28.67 N +ATOM 161 CA LYS A 23 -16.228 -20.729 -17.365 1.00 27.49 C +ATOM 162 C LYS A 23 -16.122 -21.678 -16.154 1.00 31.92 C +ATOM 163 O LYS A 23 -16.657 -22.792 -16.164 1.00 35.62 O +ATOM 164 CB LYS A 23 -15.026 -20.897 -18.290 1.00 37.77 C +ATOM 165 CG LYS A 23 -15.163 -22.045 -19.276 1.00 52.92 C +ATOM 166 CD LYS A 23 -16.377 -21.832 -20.188 1.00 60.30 C +ATOM 167 CE LYS A 23 -16.556 -22.984 -21.169 1.00 67.95 C +ATOM 168 NZ LYS A 23 -16.822 -24.278 -20.472 1.00 76.00 N +ATOM 169 N TYR A 24 -15.475 -21.213 -15.089 1.00 33.47 N +ATOM 170 CA TYR A 24 -15.265 -22.028 -13.897 1.00 32.56 C +ATOM 171 C TYR A 24 -16.073 -21.622 -12.656 1.00 29.46 C +ATOM 172 O TYR A 24 -16.139 -22.371 -11.694 1.00 30.64 O +ATOM 173 CB TYR A 24 -13.750 -22.093 -13.590 1.00 39.55 C +ATOM 174 CG TYR A 24 -12.969 -22.520 -14.814 1.00 49.14 C +ATOM 175 CD1 TYR A 24 -12.867 -23.870 -15.169 1.00 54.90 C +ATOM 176 CD2 TYR A 24 -12.507 -21.570 -15.724 1.00 51.82 C +ATOM 177 CE1 TYR A 24 -12.343 -24.257 -16.419 1.00 58.34 C +ATOM 178 CE2 TYR A 24 -11.990 -21.940 -16.970 1.00 58.23 C +ATOM 179 CZ TYR A 24 -11.918 -23.280 -17.321 1.00 61.65 C +ATOM 180 OH TYR A 24 -11.500 -23.611 -18.598 1.00 59.62 O +ATOM 181 N GLY A 25 -16.699 -20.456 -12.680 1.00 15.62 N +ATOM 182 CA GLY A 25 -17.460 -20.048 -11.528 1.00 17.13 C +ATOM 183 C GLY A 25 -16.562 -19.793 -10.351 1.00 18.90 C +ATOM 184 O GLY A 25 -16.817 -20.284 -9.254 1.00 28.06 O +ATOM 185 N ILE A 26 -15.548 -18.957 -10.573 1.00 23.56 N +ATOM 186 CA ILE A 26 -14.555 -18.595 -9.561 1.00 15.50 C +ATOM 187 C ILE A 26 -14.380 -17.090 -9.634 1.00 11.25 C +ATOM 188 O ILE A 26 -14.632 -16.480 -10.665 1.00 18.41 O +ATOM 189 CB ILE A 26 -13.164 -19.303 -9.802 1.00 12.49 C +ATOM 190 CG1 ILE A 26 -12.495 -18.788 -11.065 1.00 13.87 C +ATOM 191 CG2 ILE A 26 -13.329 -20.795 -9.973 1.00 16.25 C +ATOM 192 CD1 ILE A 26 -11.387 -19.642 -11.530 1.00 10.29 C +ATOM 193 N PRO A 27 -14.005 -16.463 -8.519 1.00 14.01 N +ATOM 194 CA PRO A 27 -13.805 -15.020 -8.472 1.00 6.98 C +ATOM 195 C PRO A 27 -12.377 -14.587 -8.719 1.00 13.79 C +ATOM 196 O PRO A 27 -11.440 -15.361 -8.564 1.00 17.64 O +ATOM 197 CB PRO A 27 -14.203 -14.694 -7.044 1.00 13.98 C +ATOM 198 CG PRO A 27 -13.650 -15.859 -6.292 1.00 9.57 C +ATOM 199 CD PRO A 27 -14.069 -17.029 -7.158 1.00 15.19 C +ATOM 200 N GLN A 28 -12.216 -13.307 -9.015 1.00 20.42 N +ATOM 201 CA GLN A 28 -10.906 -12.712 -9.244 1.00 24.07 C +ATOM 202 C GLN A 28 -10.476 -12.047 -7.951 1.00 26.26 C +ATOM 203 O GLN A 28 -11.169 -11.188 -7.415 1.00 29.64 O +ATOM 204 CB GLN A 28 -10.968 -11.652 -10.340 1.00 24.47 C +ATOM 205 CG GLN A 28 -9.661 -10.934 -10.562 1.00 26.13 C +ATOM 206 CD GLN A 28 -9.785 -9.770 -11.526 1.00 34.52 C +ATOM 207 OE1 GLN A 28 -10.646 -9.759 -12.405 1.00 34.10 O +ATOM 208 NE2 GLN A 28 -8.915 -8.781 -11.367 1.00 41.73 N +ATOM 209 N ILE A 29 -9.334 -12.464 -7.439 1.00 32.32 N +ATOM 210 CA ILE A 29 -8.804 -11.920 -6.211 1.00 24.00 C +ATOM 211 C ILE A 29 -7.555 -11.176 -6.615 1.00 21.87 C +ATOM 212 O ILE A 29 -6.773 -11.667 -7.417 1.00 24.59 O +ATOM 213 CB ILE A 29 -8.363 -13.054 -5.255 1.00 27.73 C +ATOM 214 CG1 ILE A 29 -9.536 -13.970 -4.895 1.00 15.14 C +ATOM 215 CG2 ILE A 29 -7.696 -12.466 -4.013 1.00 31.71 C +ATOM 216 CD1 ILE A 29 -9.074 -15.271 -4.274 1.00 17.03 C +ATOM 217 N SER A 30 -7.388 -9.976 -6.103 1.00 25.51 N +ATOM 218 CA SER A 30 -6.192 -9.217 -6.380 1.00 23.94 C +ATOM 219 C SER A 30 -5.840 -8.669 -4.993 1.00 29.33 C +ATOM 220 O SER A 30 -6.728 -8.414 -4.181 1.00 34.68 O +ATOM 221 CB SER A 30 -6.471 -8.124 -7.404 1.00 16.98 C +ATOM 222 OG SER A 30 -6.760 -6.891 -6.774 1.00 38.68 O +ATOM 223 N THR A 31 -4.555 -8.536 -4.691 1.00 34.57 N +ATOM 224 CA THR A 31 -4.144 -8.071 -3.369 1.00 30.70 C +ATOM 225 C THR A 31 -4.637 -6.676 -2.996 1.00 28.86 C +ATOM 226 O THR A 31 -4.948 -6.412 -1.835 1.00 32.98 O +ATOM 227 CB THR A 31 -2.593 -8.247 -3.148 1.00 31.15 C +ATOM 228 OG1 THR A 31 -1.849 -7.434 -4.063 1.00 24.39 O +ATOM 229 CG2 THR A 31 -2.210 -9.695 -3.398 1.00 22.57 C +ATOM 230 N GLY A 32 -4.779 -5.802 -3.983 1.00 30.48 N +ATOM 231 CA GLY A 32 -5.246 -4.466 -3.685 1.00 24.70 C +ATOM 232 C GLY A 32 -6.683 -4.515 -3.226 1.00 29.25 C +ATOM 233 O GLY A 32 -7.057 -3.825 -2.293 1.00 39.43 O +ATOM 234 N ASP A 33 -7.482 -5.373 -3.848 1.00 32.74 N +ATOM 235 CA ASP A 33 -8.898 -5.497 -3.509 1.00 32.84 C +ATOM 236 C ASP A 33 -9.059 -6.134 -2.161 1.00 30.19 C +ATOM 237 O ASP A 33 -9.866 -5.709 -1.347 1.00 34.33 O +ATOM 238 CB ASP A 33 -9.636 -6.366 -4.537 1.00 46.88 C +ATOM 239 CG ASP A 33 -9.907 -5.641 -5.870 1.00 60.27 C +ATOM 240 OD1 ASP A 33 -9.956 -4.385 -5.901 1.00 62.94 O +ATOM 241 OD2 ASP A 33 -10.093 -6.345 -6.897 1.00 71.64 O +ATOM 242 N MET A 34 -8.293 -7.191 -1.959 1.00 37.94 N +ATOM 243 CA MET A 34 -8.292 -7.982 -0.738 1.00 34.60 C +ATOM 244 C MET A 34 -7.916 -7.163 0.471 1.00 34.65 C +ATOM 245 O MET A 34 -8.541 -7.301 1.510 1.00 37.79 O +ATOM 246 CB MET A 34 -7.297 -9.099 -0.907 1.00 30.39 C +ATOM 247 CG MET A 34 -7.453 -10.222 0.027 1.00 38.60 C +ATOM 248 SD MET A 34 -6.315 -11.395 -0.602 1.00 43.86 S +ATOM 249 CE MET A 34 -4.810 -10.551 -0.080 1.00 53.38 C +ATOM 250 N LEU A 35 -6.861 -6.358 0.341 1.00 32.63 N +ATOM 251 CA LEU A 35 -6.401 -5.481 1.410 1.00 33.01 C +ATOM 252 C LEU A 35 -7.534 -4.558 1.789 1.00 37.17 C +ATOM 253 O LEU A 35 -7.998 -4.564 2.925 1.00 44.58 O +ATOM 254 CB LEU A 35 -5.237 -4.629 0.933 1.00 37.24 C +ATOM 255 CG LEU A 35 -3.833 -5.097 1.279 1.00 43.99 C +ATOM 256 CD1 LEU A 35 -2.837 -4.144 0.655 1.00 45.97 C +ATOM 257 CD2 LEU A 35 -3.660 -5.108 2.778 1.00 43.67 C +ATOM 258 N ARG A 36 -7.993 -3.785 0.812 1.00 40.18 N +ATOM 259 CA ARG A 36 -9.098 -2.856 0.993 1.00 44.60 C +ATOM 260 C ARG A 36 -10.378 -3.506 1.573 1.00 43.82 C +ATOM 261 O ARG A 36 -11.255 -2.819 2.072 1.00 50.27 O +ATOM 262 CB ARG A 36 -9.389 -2.132 -0.335 1.00 42.88 C +ATOM 263 CG ARG A 36 -8.223 -1.237 -0.798 1.00 44.29 C +ATOM 264 CD ARG A 36 -8.593 -0.309 -1.969 1.00 53.07 C +ATOM 265 NE ARG A 36 -8.576 -0.973 -3.275 1.00 60.98 N +ATOM 266 CZ ARG A 36 -7.488 -1.132 -4.035 1.00 68.24 C +ATOM 267 NH1 ARG A 36 -6.310 -0.669 -3.637 1.00 72.51 N +ATOM 268 NH2 ARG A 36 -7.573 -1.752 -5.206 1.00 68.98 N +ATOM 269 N ALA A 37 -10.457 -4.828 1.555 1.00 46.52 N +ATOM 270 CA ALA A 37 -11.616 -5.549 2.081 1.00 50.74 C +ATOM 271 C ALA A 37 -11.402 -6.114 3.499 1.00 58.10 C +ATOM 272 O ALA A 37 -12.363 -6.482 4.188 1.00 57.67 O +ATOM 273 CB ALA A 37 -11.990 -6.680 1.131 1.00 56.71 C +ATOM 274 N ALA A 38 -10.144 -6.235 3.917 1.00 61.85 N +ATOM 275 CA ALA A 38 -9.824 -6.758 5.244 1.00 57.32 C +ATOM 276 C ALA A 38 -10.029 -5.651 6.272 1.00 53.79 C +ATOM 277 O ALA A 38 -10.565 -5.876 7.363 1.00 52.54 O +ATOM 278 CB ALA A 38 -8.382 -7.254 5.269 1.00 59.46 C +ATOM 279 N VAL A 39 -9.582 -4.457 5.901 1.00 47.91 N +ATOM 280 CA VAL A 39 -9.687 -3.275 6.731 1.00 47.04 C +ATOM 281 C VAL A 39 -11.142 -3.086 7.134 1.00 52.43 C +ATOM 282 O VAL A 39 -11.490 -3.199 8.307 1.00 55.56 O +ATOM 283 CB VAL A 39 -9.160 -2.079 5.948 1.00 41.46 C +ATOM 284 CG1 VAL A 39 -9.642 -0.774 6.535 1.00 47.42 C +ATOM 285 CG2 VAL A 39 -7.659 -2.132 5.929 1.00 42.93 C +ATOM 286 N LYS A 40 -11.982 -2.853 6.134 1.00 59.78 N +ATOM 287 CA LYS A 40 -13.424 -2.667 6.301 1.00 67.13 C +ATOM 288 C LYS A 40 -13.987 -3.665 7.299 1.00 71.55 C +ATOM 289 O LYS A 40 -14.480 -3.278 8.357 1.00 77.25 O +ATOM 290 CB LYS A 40 -14.113 -2.850 4.943 1.00 66.92 C +ATOM 291 CG LYS A 40 -15.614 -3.110 4.970 1.00 65.44 C +ATOM 292 CD LYS A 40 -16.107 -3.601 3.596 1.00 71.73 C +ATOM 293 CE LYS A 40 -15.513 -4.978 3.218 1.00 67.86 C +ATOM 294 NZ LYS A 40 -15.876 -5.463 1.844 1.00 64.01 N +ATOM 295 N SER A 41 -13.931 -4.945 6.951 1.00 74.97 N +ATOM 296 CA SER A 41 -14.424 -5.983 7.834 1.00 81.04 C +ATOM 297 C SER A 41 -13.399 -6.205 8.925 1.00 83.60 C +ATOM 298 O SER A 41 -12.667 -7.199 8.912 1.00 88.86 O +ATOM 299 CB SER A 41 -14.679 -7.278 7.069 1.00 84.97 C +ATOM 300 OG SER A 41 -15.944 -7.229 6.426 1.00 98.23 O +ATOM 301 N GLY A 42 -13.357 -5.249 9.851 1.00 81.63 N +ATOM 302 CA GLY A 42 -12.442 -5.274 10.976 1.00 75.20 C +ATOM 303 C GLY A 42 -12.241 -6.624 11.622 1.00 69.46 C +ATOM 304 O GLY A 42 -12.844 -6.951 12.639 1.00 72.12 O +ATOM 305 N SER A 43 -11.419 -7.427 10.973 1.00 64.93 N +ATOM 306 CA SER A 43 -11.066 -8.743 11.442 1.00 59.68 C +ATOM 307 C SER A 43 -9.662 -8.524 12.000 1.00 56.65 C +ATOM 308 O SER A 43 -9.067 -7.474 11.767 1.00 51.43 O +ATOM 309 CB SER A 43 -11.052 -9.710 10.255 1.00 61.71 C +ATOM 310 OG SER A 43 -10.553 -9.075 9.084 1.00 62.31 O +ATOM 311 N GLU A 44 -9.130 -9.491 12.735 1.00 55.07 N +ATOM 312 CA GLU A 44 -7.796 -9.348 13.305 1.00 55.63 C +ATOM 313 C GLU A 44 -6.751 -8.878 12.279 1.00 53.88 C +ATOM 314 O GLU A 44 -6.111 -7.846 12.473 1.00 53.83 O +ATOM 315 CB GLU A 44 -7.367 -10.660 13.969 1.00 63.89 C +ATOM 316 CG GLU A 44 -5.881 -10.754 14.342 1.00 78.12 C +ATOM 317 CD GLU A 44 -5.455 -9.816 15.470 1.00 83.24 C +ATOM 318 OE1 GLU A 44 -6.331 -9.186 16.117 1.00 86.87 O +ATOM 319 OE2 GLU A 44 -4.227 -9.727 15.711 1.00 83.37 O +ATOM 320 N LEU A 45 -6.608 -9.602 11.174 1.00 49.26 N +ATOM 321 CA LEU A 45 -5.639 -9.232 10.148 1.00 45.12 C +ATOM 322 C LEU A 45 -5.967 -7.886 9.489 1.00 48.23 C +ATOM 323 O LEU A 45 -5.061 -7.085 9.213 1.00 44.66 O +ATOM 324 CB LEU A 45 -5.546 -10.327 9.087 1.00 45.72 C +ATOM 325 CG LEU A 45 -4.790 -11.604 9.463 1.00 48.49 C +ATOM 326 CD1 LEU A 45 -3.305 -11.337 9.507 1.00 53.63 C +ATOM 327 CD2 LEU A 45 -5.269 -12.129 10.809 1.00 58.47 C +ATOM 328 N GLY A 46 -7.263 -7.635 9.274 1.00 47.60 N +ATOM 329 CA GLY A 46 -7.720 -6.400 8.646 1.00 39.04 C +ATOM 330 C GLY A 46 -7.338 -5.168 9.421 1.00 35.03 C +ATOM 331 O GLY A 46 -7.028 -4.119 8.856 1.00 34.68 O +ATOM 332 N LYS A 47 -7.381 -5.307 10.737 1.00 39.91 N +ATOM 333 CA LYS A 47 -7.018 -4.236 11.637 1.00 44.31 C +ATOM 334 C LYS A 47 -5.508 -4.052 11.520 1.00 44.85 C +ATOM 335 O LYS A 47 -5.031 -2.925 11.418 1.00 48.38 O +ATOM 336 CB LYS A 47 -7.391 -4.610 13.074 1.00 56.95 C +ATOM 337 CG LYS A 47 -8.827 -5.132 13.273 1.00 64.66 C +ATOM 338 CD LYS A 47 -9.840 -4.035 13.570 1.00 69.88 C +ATOM 339 CE LYS A 47 -10.096 -3.117 12.383 1.00 72.38 C +ATOM 340 NZ LYS A 47 -10.995 -1.993 12.789 1.00 73.54 N +ATOM 341 N GLN A 48 -4.765 -5.164 11.506 1.00 41.88 N +ATOM 342 CA GLN A 48 -3.304 -5.133 11.385 1.00 38.21 C +ATOM 343 C GLN A 48 -2.917 -4.401 10.116 1.00 37.63 C +ATOM 344 O GLN A 48 -2.051 -3.533 10.137 1.00 46.52 O +ATOM 345 CB GLN A 48 -2.722 -6.553 11.345 1.00 34.16 C +ATOM 346 CG GLN A 48 -2.593 -7.208 12.705 1.00 34.59 C +ATOM 347 CD GLN A 48 -2.196 -8.673 12.645 1.00 40.52 C +ATOM 348 OE1 GLN A 48 -1.031 -9.014 12.438 1.00 45.57 O +ATOM 349 NE2 GLN A 48 -3.165 -9.548 12.858 1.00 43.01 N +ATOM 350 N ALA A 49 -3.613 -4.714 9.030 1.00 39.47 N +ATOM 351 CA ALA A 49 -3.366 -4.114 7.718 1.00 43.70 C +ATOM 352 C ALA A 49 -3.857 -2.676 7.563 1.00 43.34 C +ATOM 353 O ALA A 49 -3.302 -1.915 6.761 1.00 39.64 O +ATOM 354 CB ALA A 49 -3.973 -4.981 6.632 1.00 48.96 C +ATOM 355 N LYS A 50 -4.921 -2.320 8.284 1.00 45.45 N +ATOM 356 CA LYS A 50 -5.455 -0.962 8.228 1.00 44.19 C +ATOM 357 C LYS A 50 -4.451 0.026 8.809 1.00 43.72 C +ATOM 358 O LYS A 50 -4.229 1.096 8.246 1.00 43.88 O +ATOM 359 CB LYS A 50 -6.772 -0.858 8.981 1.00 40.76 C +ATOM 360 CG LYS A 50 -7.296 0.548 9.059 1.00 43.34 C +ATOM 361 CD LYS A 50 -8.631 0.593 9.767 1.00 55.19 C +ATOM 362 CE LYS A 50 -9.003 2.007 10.225 1.00 60.91 C +ATOM 363 NZ LYS A 50 -8.335 2.379 11.514 1.00 66.33 N +ATOM 364 N ASP A 51 -3.843 -0.341 9.934 1.00 44.35 N +ATOM 365 CA ASP A 51 -2.842 0.502 10.588 1.00 47.00 C +ATOM 366 C ASP A 51 -1.627 0.707 9.707 1.00 45.24 C +ATOM 367 O ASP A 51 -1.145 1.817 9.567 1.00 52.31 O +ATOM 368 CB ASP A 51 -2.390 -0.104 11.922 1.00 57.14 C +ATOM 369 CG ASP A 51 -3.425 0.057 13.023 1.00 58.36 C +ATOM 370 OD1 ASP A 51 -3.719 1.214 13.417 1.00 58.71 O +ATOM 371 OD2 ASP A 51 -3.930 -0.982 13.500 1.00 61.95 O +ATOM 372 N ILE A 52 -1.118 -0.375 9.135 1.00 49.01 N +ATOM 373 CA ILE A 52 0.045 -0.309 8.254 1.00 48.67 C +ATOM 374 C ILE A 52 -0.174 0.666 7.106 1.00 41.70 C +ATOM 375 O ILE A 52 0.651 1.538 6.882 1.00 41.14 O +ATOM 376 CB ILE A 52 0.419 -1.720 7.722 1.00 52.20 C +ATOM 377 CG1 ILE A 52 1.155 -2.494 8.817 1.00 44.00 C +ATOM 378 CG2 ILE A 52 1.261 -1.628 6.457 1.00 51.87 C +ATOM 379 CD1 ILE A 52 1.478 -3.889 8.438 1.00 46.08 C +ATOM 380 N MET A 53 -1.283 0.505 6.392 1.00 42.06 N +ATOM 381 CA MET A 53 -1.643 1.374 5.281 1.00 41.54 C +ATOM 382 C MET A 53 -1.760 2.811 5.757 1.00 42.02 C +ATOM 383 O MET A 53 -1.244 3.733 5.120 1.00 43.31 O +ATOM 384 CB MET A 53 -3.012 1.010 4.758 1.00 47.40 C +ATOM 385 CG MET A 53 -3.118 -0.228 3.941 1.00 56.02 C +ATOM 386 SD MET A 53 -4.859 -0.224 3.434 1.00 77.33 S +ATOM 387 CE MET A 53 -4.960 1.325 2.436 1.00 59.25 C +ATOM 388 N ASP A 54 -2.531 2.991 6.828 1.00 46.64 N +ATOM 389 CA ASP A 54 -2.778 4.300 7.444 1.00 50.22 C +ATOM 390 C ASP A 54 -1.495 5.000 7.869 1.00 50.20 C +ATOM 391 O ASP A 54 -1.418 6.228 7.825 1.00 58.95 O +ATOM 392 CB ASP A 54 -3.704 4.174 8.667 1.00 48.85 C +ATOM 393 CG ASP A 54 -5.158 3.935 8.289 1.00 47.43 C +ATOM 394 OD1 ASP A 54 -5.433 3.561 7.129 1.00 46.99 O +ATOM 395 OD2 ASP A 54 -6.026 4.124 9.167 1.00 44.24 O +ATOM 396 N ALA A 55 -0.505 4.224 8.306 1.00 48.71 N +ATOM 397 CA ALA A 55 0.787 4.770 8.728 1.00 45.07 C +ATOM 398 C ALA A 55 1.707 4.959 7.530 1.00 45.60 C +ATOM 399 O ALA A 55 2.870 5.356 7.683 1.00 46.75 O +ATOM 400 CB ALA A 55 1.438 3.848 9.733 1.00 46.96 C +ATOM 401 N GLY A 56 1.181 4.654 6.344 1.00 49.46 N +ATOM 402 CA GLY A 56 1.935 4.782 5.112 1.00 49.77 C +ATOM 403 C GLY A 56 3.056 3.775 5.051 1.00 51.82 C +ATOM 404 O GLY A 56 4.089 4.041 4.440 1.00 56.12 O +ATOM 405 N LYS A 57 2.875 2.656 5.753 1.00 55.57 N +ATOM 406 CA LYS A 57 3.856 1.578 5.797 1.00 52.04 C +ATOM 407 C LYS A 57 3.436 0.536 4.783 1.00 53.24 C +ATOM 408 O LYS A 57 2.258 0.425 4.414 1.00 55.96 O +ATOM 409 CB LYS A 57 3.954 0.953 7.194 1.00 53.89 C +ATOM 410 CG LYS A 57 4.758 1.772 8.203 1.00 56.37 C +ATOM 411 CD LYS A 57 4.726 1.146 9.600 1.00 67.15 C +ATOM 412 CE LYS A 57 3.291 1.013 10.158 1.00 72.82 C +ATOM 413 NZ LYS A 57 3.199 0.297 11.484 1.00 74.93 N +ATOM 414 N LEU A 58 4.411 -0.233 4.332 1.00 50.05 N +ATOM 415 CA LEU A 58 4.156 -1.240 3.331 1.00 44.82 C +ATOM 416 C LEU A 58 3.811 -2.553 4.010 1.00 38.82 C +ATOM 417 O LEU A 58 4.354 -2.881 5.063 1.00 36.31 O +ATOM 418 CB LEU A 58 5.388 -1.350 2.429 1.00 46.73 C +ATOM 419 CG LEU A 58 5.291 -1.952 1.032 1.00 46.84 C +ATOM 420 CD1 LEU A 58 4.016 -1.505 0.294 1.00 46.82 C +ATOM 421 CD2 LEU A 58 6.545 -1.541 0.293 1.00 43.59 C +ATOM 422 N VAL A 59 2.833 -3.244 3.441 1.00 37.98 N +ATOM 423 CA VAL A 59 2.365 -4.528 3.951 1.00 39.75 C +ATOM 424 C VAL A 59 3.391 -5.614 3.689 1.00 39.94 C +ATOM 425 O VAL A 59 3.815 -5.824 2.555 1.00 42.76 O +ATOM 426 CB VAL A 59 1.038 -4.958 3.272 1.00 42.82 C +ATOM 427 CG1 VAL A 59 0.553 -6.298 3.842 1.00 36.80 C +ATOM 428 CG2 VAL A 59 -0.018 -3.866 3.440 1.00 41.69 C +ATOM 429 N THR A 60 3.760 -6.334 4.730 1.00 36.76 N +ATOM 430 CA THR A 60 4.734 -7.387 4.575 1.00 35.79 C +ATOM 431 C THR A 60 4.162 -8.657 3.918 1.00 35.29 C +ATOM 432 O THR A 60 2.963 -8.942 4.000 1.00 33.49 O +ATOM 433 CB THR A 60 5.351 -7.685 5.918 1.00 38.89 C +ATOM 434 OG1 THR A 60 4.310 -7.899 6.883 1.00 45.98 O +ATOM 435 CG2 THR A 60 6.181 -6.502 6.350 1.00 42.18 C +ATOM 436 N ASP A 61 5.025 -9.410 3.247 1.00 34.73 N +ATOM 437 CA ASP A 61 4.606 -10.636 2.574 1.00 38.92 C +ATOM 438 C ASP A 61 3.810 -11.495 3.516 1.00 35.48 C +ATOM 439 O ASP A 61 2.831 -12.130 3.145 1.00 37.40 O +ATOM 440 CB ASP A 61 5.820 -11.460 2.149 1.00 38.14 C +ATOM 441 CG ASP A 61 6.623 -10.810 1.062 1.00 32.51 C +ATOM 442 OD1 ASP A 61 6.131 -9.825 0.464 1.00 39.71 O +ATOM 443 OD2 ASP A 61 7.744 -11.306 0.805 1.00 32.57 O +ATOM 444 N GLU A 62 4.269 -11.502 4.751 1.00 35.37 N +ATOM 445 CA GLU A 62 3.685 -12.298 5.799 1.00 37.93 C +ATOM 446 C GLU A 62 2.225 -11.992 6.029 1.00 30.79 C +ATOM 447 O GLU A 62 1.407 -12.907 6.137 1.00 30.98 O +ATOM 448 CB GLU A 62 4.506 -12.112 7.072 1.00 50.69 C +ATOM 449 CG GLU A 62 5.984 -12.590 6.943 1.00 69.90 C +ATOM 450 CD GLU A 62 6.903 -11.648 6.144 1.00 71.20 C +ATOM 451 OE1 GLU A 62 6.867 -10.424 6.394 1.00 78.26 O +ATOM 452 OE2 GLU A 62 7.682 -12.138 5.288 1.00 73.01 O +ATOM 453 N LEU A 63 1.901 -10.707 6.064 1.00 29.97 N +ATOM 454 CA LEU A 63 0.529 -10.257 6.268 1.00 27.18 C +ATOM 455 C LEU A 63 -0.256 -10.493 4.986 1.00 26.99 C +ATOM 456 O LEU A 63 -1.432 -10.857 5.031 1.00 31.63 O +ATOM 457 CB LEU A 63 0.509 -8.784 6.658 1.00 31.57 C +ATOM 458 CG LEU A 63 -0.605 -8.296 7.574 1.00 32.06 C +ATOM 459 CD1 LEU A 63 -0.221 -6.936 8.069 1.00 39.25 C +ATOM 460 CD2 LEU A 63 -1.931 -8.226 6.850 1.00 38.77 C +ATOM 461 N VAL A 64 0.397 -10.331 3.842 1.00 25.11 N +ATOM 462 CA VAL A 64 -0.278 -10.586 2.587 1.00 26.86 C +ATOM 463 C VAL A 64 -0.674 -12.043 2.451 1.00 23.54 C +ATOM 464 O VAL A 64 -1.797 -12.326 2.067 1.00 36.24 O +ATOM 465 CB VAL A 64 0.561 -10.248 1.381 1.00 29.01 C +ATOM 466 CG1 VAL A 64 -0.296 -10.350 0.124 1.00 22.83 C +ATOM 467 CG2 VAL A 64 1.111 -8.875 1.525 1.00 35.77 C +ATOM 468 N ILE A 65 0.225 -12.977 2.748 1.00 32.40 N +ATOM 469 CA ILE A 65 -0.115 -14.401 2.626 1.00 27.53 C +ATOM 470 C ILE A 65 -1.234 -14.782 3.573 1.00 29.39 C +ATOM 471 O ILE A 65 -2.061 -15.648 3.255 1.00 32.27 O +ATOM 472 CB ILE A 65 1.124 -15.356 2.772 1.00 31.29 C +ATOM 473 CG1 ILE A 65 1.655 -15.751 1.390 1.00 29.25 C +ATOM 474 CG2 ILE A 65 0.734 -16.675 3.418 1.00 35.74 C +ATOM 475 CD1 ILE A 65 2.201 -14.615 0.586 1.00 29.01 C +ATOM 476 N ALA A 66 -1.275 -14.102 4.718 1.00 34.26 N +ATOM 477 CA ALA A 66 -2.297 -14.315 5.740 1.00 31.16 C +ATOM 478 C ALA A 66 -3.685 -13.867 5.237 1.00 34.96 C +ATOM 479 O ALA A 66 -4.700 -14.517 5.523 1.00 36.19 O +ATOM 480 CB ALA A 66 -1.922 -13.562 6.983 1.00 32.44 C +ATOM 481 N LEU A 67 -3.725 -12.763 4.489 1.00 32.65 N +ATOM 482 CA LEU A 67 -4.978 -12.266 3.939 1.00 27.08 C +ATOM 483 C LEU A 67 -5.460 -13.165 2.833 1.00 23.61 C +ATOM 484 O LEU A 67 -6.653 -13.297 2.644 1.00 28.81 O +ATOM 485 CB LEU A 67 -4.832 -10.866 3.366 1.00 35.03 C +ATOM 486 CG LEU A 67 -4.395 -9.691 4.227 1.00 34.91 C +ATOM 487 CD1 LEU A 67 -4.558 -8.468 3.362 1.00 31.64 C +ATOM 488 CD2 LEU A 67 -5.226 -9.569 5.501 1.00 34.52 C +ATOM 489 N VAL A 68 -4.534 -13.774 2.097 1.00 23.77 N +ATOM 490 CA VAL A 68 -4.880 -14.670 0.987 1.00 23.03 C +ATOM 491 C VAL A 68 -5.419 -15.970 1.546 1.00 25.05 C +ATOM 492 O VAL A 68 -6.321 -16.567 0.967 1.00 36.11 O +ATOM 493 CB VAL A 68 -3.649 -15.001 0.041 1.00 21.51 C +ATOM 494 CG1 VAL A 68 -4.036 -16.018 -1.022 1.00 22.42 C +ATOM 495 CG2 VAL A 68 -3.093 -13.752 -0.641 1.00 12.79 C +ATOM 496 N LYS A 69 -4.876 -16.420 2.671 1.00 28.92 N +ATOM 497 CA LYS A 69 -5.342 -17.671 3.275 1.00 28.12 C +ATOM 498 C LYS A 69 -6.732 -17.449 3.875 1.00 28.95 C +ATOM 499 O LYS A 69 -7.621 -18.294 3.750 1.00 28.87 O +ATOM 500 CB LYS A 69 -4.342 -18.142 4.321 1.00 30.34 C +ATOM 501 CG LYS A 69 -4.326 -19.631 4.531 1.00 33.34 C +ATOM 502 CD LYS A 69 -3.018 -20.052 5.189 1.00 57.12 C +ATOM 503 CE LYS A 69 -2.716 -19.271 6.489 1.00 68.29 C +ATOM 504 NZ LYS A 69 -1.350 -19.533 7.084 1.00 73.65 N +ATOM 505 N GLU A 70 -6.912 -16.286 4.494 1.00 18.82 N +ATOM 506 CA GLU A 70 -8.182 -15.890 5.071 1.00 24.78 C +ATOM 507 C GLU A 70 -9.199 -15.792 3.922 1.00 34.43 C +ATOM 508 O GLU A 70 -10.213 -16.489 3.900 1.00 40.57 O +ATOM 509 CB GLU A 70 -8.017 -14.518 5.740 1.00 30.48 C +ATOM 510 CG GLU A 70 -9.313 -13.846 6.198 1.00 47.35 C +ATOM 511 CD GLU A 70 -9.104 -12.459 6.815 1.00 53.03 C +ATOM 512 OE1 GLU A 70 -8.294 -12.340 7.760 1.00 64.48 O +ATOM 513 OE2 GLU A 70 -9.759 -11.487 6.367 1.00 57.87 O +ATOM 514 N ARG A 71 -8.878 -14.966 2.933 1.00 33.55 N +ATOM 515 CA ARG A 71 -9.735 -14.749 1.788 1.00 24.22 C +ATOM 516 C ARG A 71 -10.196 -15.995 1.081 1.00 23.57 C +ATOM 517 O ARG A 71 -11.393 -16.209 0.943 1.00 29.81 O +ATOM 518 CB ARG A 71 -9.049 -13.848 0.761 1.00 26.48 C +ATOM 519 CG ARG A 71 -9.901 -13.566 -0.476 1.00 21.89 C +ATOM 520 CD ARG A 71 -11.097 -12.676 -0.128 1.00 27.49 C +ATOM 521 NE ARG A 71 -11.989 -12.489 -1.266 1.00 28.17 N +ATOM 522 CZ ARG A 71 -12.837 -13.404 -1.713 1.00 30.25 C +ATOM 523 NH1 ARG A 71 -12.950 -14.570 -1.101 1.00 32.98 N +ATOM 524 NH2 ARG A 71 -13.596 -13.143 -2.763 1.00 38.84 N +ATOM 525 N ILE A 72 -9.268 -16.820 0.618 1.00 21.61 N +ATOM 526 CA ILE A 72 -9.664 -18.002 -0.136 1.00 18.69 C +ATOM 527 C ILE A 72 -10.391 -19.024 0.700 1.00 24.84 C +ATOM 528 O ILE A 72 -10.702 -20.110 0.229 1.00 28.83 O +ATOM 529 CB ILE A 72 -8.486 -18.639 -0.878 1.00 21.29 C +ATOM 530 CG1 ILE A 72 -7.518 -19.277 0.112 1.00 19.14 C +ATOM 531 CG2 ILE A 72 -7.787 -17.577 -1.728 1.00 15.87 C +ATOM 532 CD1 ILE A 72 -6.322 -19.871 -0.538 1.00 30.14 C +ATOM 533 N ALA A 73 -10.586 -18.695 1.970 1.00 34.95 N +ATOM 534 CA ALA A 73 -11.326 -19.542 2.895 1.00 40.67 C +ATOM 535 C ALA A 73 -12.815 -19.149 2.819 1.00 45.62 C +ATOM 536 O ALA A 73 -13.678 -19.834 3.379 1.00 47.72 O +ATOM 537 CB ALA A 73 -10.803 -19.373 4.311 1.00 35.58 C +ATOM 538 N GLN A 74 -13.106 -18.019 2.173 1.00 42.96 N +ATOM 539 CA GLN A 74 -14.475 -17.584 1.995 1.00 38.08 C +ATOM 540 C GLN A 74 -15.129 -18.583 1.045 1.00 41.23 C +ATOM 541 O GLN A 74 -14.466 -19.197 0.209 1.00 39.18 O +ATOM 542 CB GLN A 74 -14.526 -16.161 1.484 1.00 29.08 C +ATOM 543 CG GLN A 74 -13.977 -15.201 2.512 1.00 39.76 C +ATOM 544 CD GLN A 74 -14.017 -13.741 2.077 1.00 57.07 C +ATOM 545 OE1 GLN A 74 -13.417 -12.878 2.724 1.00 60.07 O +ATOM 546 NE2 GLN A 74 -14.727 -13.452 0.987 1.00 64.32 N +ATOM 547 N GLU A 75 -16.427 -18.775 1.223 1.00 48.96 N +ATOM 548 CA GLU A 75 -17.200 -19.754 0.468 1.00 55.26 C +ATOM 549 C GLU A 75 -17.335 -19.505 -1.028 1.00 51.88 C +ATOM 550 O GLU A 75 -17.616 -20.435 -1.802 1.00 48.34 O +ATOM 551 CB GLU A 75 -18.569 -19.931 1.139 1.00 69.32 C +ATOM 552 CG GLU A 75 -18.474 -20.343 2.634 1.00 79.10 C +ATOM 553 CD GLU A 75 -19.090 -19.320 3.595 1.00 84.19 C +ATOM 554 OE1 GLU A 75 -18.635 -18.147 3.628 1.00 88.37 O +ATOM 555 OE2 GLU A 75 -20.030 -19.701 4.328 1.00 84.11 O +ATOM 556 N ASP A 76 -17.124 -18.251 -1.429 1.00 49.64 N +ATOM 557 CA ASP A 76 -17.185 -17.880 -2.839 1.00 46.29 C +ATOM 558 C ASP A 76 -15.974 -18.428 -3.616 1.00 44.15 C +ATOM 559 O ASP A 76 -15.989 -18.467 -4.854 1.00 40.68 O +ATOM 560 CB ASP A 76 -17.379 -16.360 -3.028 1.00 36.81 C +ATOM 561 CG ASP A 76 -16.169 -15.533 -2.651 1.00 31.41 C +ATOM 562 OD1 ASP A 76 -15.299 -16.002 -1.907 1.00 32.06 O +ATOM 563 OD2 ASP A 76 -16.100 -14.375 -3.107 1.00 32.87 O +ATOM 564 N CYS A 77 -14.960 -18.897 -2.877 1.00 34.50 N +ATOM 565 CA CYS A 77 -13.764 -19.497 -3.470 1.00 26.25 C +ATOM 566 C CYS A 77 -13.861 -21.002 -3.330 1.00 22.86 C +ATOM 567 O CYS A 77 -12.851 -21.703 -3.328 1.00 30.27 O +ATOM 568 CB CYS A 77 -12.502 -19.027 -2.765 1.00 9.52 C +ATOM 569 SG CYS A 77 -12.229 -17.284 -2.859 1.00 26.99 S +ATOM 570 N ARG A 78 -15.079 -21.502 -3.179 1.00 32.83 N +ATOM 571 CA ARG A 78 -15.293 -22.933 -3.019 1.00 37.14 C +ATOM 572 C ARG A 78 -14.995 -23.694 -4.310 1.00 37.85 C +ATOM 573 O ARG A 78 -14.730 -24.896 -4.269 1.00 43.84 O +ATOM 574 CB ARG A 78 -16.722 -23.179 -2.530 1.00 47.41 C +ATOM 575 CG ARG A 78 -17.100 -24.628 -2.259 1.00 62.01 C +ATOM 576 CD ARG A 78 -18.494 -24.740 -1.607 1.00 73.31 C +ATOM 577 NE ARG A 78 -18.434 -25.043 -0.172 1.00 82.29 N +ATOM 578 CZ ARG A 78 -18.109 -24.167 0.781 1.00 85.11 C +ATOM 579 NH1 ARG A 78 -17.827 -22.907 0.469 1.00 83.75 N +ATOM 580 NH2 ARG A 78 -18.082 -24.551 2.053 1.00 81.84 N +ATOM 581 N ASN A 79 -14.994 -22.988 -5.447 1.00 34.73 N +ATOM 582 CA ASN A 79 -14.722 -23.611 -6.752 1.00 27.50 C +ATOM 583 C ASN A 79 -13.300 -23.366 -7.236 1.00 22.09 C +ATOM 584 O ASN A 79 -12.859 -23.924 -8.236 1.00 25.67 O +ATOM 585 CB ASN A 79 -15.694 -23.098 -7.811 1.00 34.13 C +ATOM 586 CG ASN A 79 -17.134 -23.479 -7.525 1.00 36.90 C +ATOM 587 OD1 ASN A 79 -17.501 -24.650 -7.589 1.00 36.68 O +ATOM 588 ND2 ASN A 79 -17.963 -22.482 -7.234 1.00 45.32 N +ATOM 589 N GLY A 80 -12.593 -22.506 -6.525 1.00 17.69 N +ATOM 590 CA GLY A 80 -11.233 -22.180 -6.869 1.00 16.86 C +ATOM 591 C GLY A 80 -11.157 -20.677 -6.854 1.00 17.27 C +ATOM 592 O GLY A 80 -11.969 -20.005 -6.206 1.00 15.83 O +ATOM 593 N PHE A 81 -10.239 -20.129 -7.628 1.00 20.66 N +ATOM 594 CA PHE A 81 -10.086 -18.686 -7.664 1.00 27.76 C +ATOM 595 C PHE A 81 -9.076 -18.251 -8.718 1.00 26.50 C +ATOM 596 O PHE A 81 -8.280 -19.066 -9.186 1.00 28.02 O +ATOM 597 CB PHE A 81 -9.692 -18.157 -6.275 1.00 29.10 C +ATOM 598 CG PHE A 81 -8.501 -18.869 -5.645 1.00 33.16 C +ATOM 599 CD1 PHE A 81 -7.199 -18.586 -6.059 1.00 31.40 C +ATOM 600 CD2 PHE A 81 -8.687 -19.781 -4.598 1.00 27.09 C +ATOM 601 CE1 PHE A 81 -6.105 -19.194 -5.440 1.00 32.43 C +ATOM 602 CE2 PHE A 81 -7.607 -20.386 -3.978 1.00 32.66 C +ATOM 603 CZ PHE A 81 -6.312 -20.097 -4.396 1.00 30.97 C +ATOM 604 N LEU A 82 -9.150 -16.980 -9.112 1.00 22.30 N +ATOM 605 CA LEU A 82 -8.252 -16.401 -10.097 1.00 19.27 C +ATOM 606 C LEU A 82 -7.502 -15.317 -9.375 1.00 19.29 C +ATOM 607 O LEU A 82 -8.066 -14.298 -9.018 1.00 20.16 O +ATOM 608 CB LEU A 82 -9.026 -15.798 -11.273 1.00 19.17 C +ATOM 609 CG LEU A 82 -8.299 -15.043 -12.386 1.00 20.14 C +ATOM 610 CD1 LEU A 82 -7.291 -15.935 -13.096 1.00 12.74 C +ATOM 611 CD2 LEU A 82 -9.336 -14.557 -13.376 1.00 16.91 C +ATOM 612 N LEU A 83 -6.247 -15.610 -9.077 1.00 22.96 N +ATOM 613 CA LEU A 83 -5.348 -14.700 -8.398 1.00 22.22 C +ATOM 614 C LEU A 83 -4.661 -13.917 -9.523 1.00 20.44 C +ATOM 615 O LEU A 83 -3.934 -14.455 -10.362 1.00 17.82 O +ATOM 616 CB LEU A 83 -4.371 -15.520 -7.551 1.00 23.11 C +ATOM 617 CG LEU A 83 -3.488 -14.850 -6.517 1.00 27.73 C +ATOM 618 CD1 LEU A 83 -4.285 -13.921 -5.611 1.00 37.32 C +ATOM 619 CD2 LEU A 83 -2.822 -15.949 -5.732 1.00 30.13 C +ATOM 620 N ASP A 84 -4.938 -12.634 -9.551 1.00 22.61 N +ATOM 621 CA ASP A 84 -4.443 -11.758 -10.590 1.00 26.70 C +ATOM 622 C ASP A 84 -3.178 -11.011 -10.155 1.00 29.03 C +ATOM 623 O ASP A 84 -3.237 -10.195 -9.246 1.00 26.81 O +ATOM 624 CB ASP A 84 -5.602 -10.799 -10.929 1.00 24.75 C +ATOM 625 CG ASP A 84 -5.197 -9.652 -11.811 1.00 29.12 C +ATOM 626 OD1 ASP A 84 -5.003 -9.859 -13.021 1.00 40.54 O +ATOM 627 OD2 ASP A 84 -5.125 -8.519 -11.300 1.00 38.89 O +ATOM 628 N GLY A 85 -2.033 -11.320 -10.770 1.00 31.06 N +ATOM 629 CA GLY A 85 -0.781 -10.634 -10.440 1.00 25.52 C +ATOM 630 C GLY A 85 -0.128 -10.839 -9.076 1.00 35.02 C +ATOM 631 O GLY A 85 0.513 -9.917 -8.536 1.00 40.79 O +ATOM 632 N PHE A 86 -0.348 -12.006 -8.470 1.00 32.55 N +ATOM 633 CA PHE A 86 0.255 -12.328 -7.186 1.00 21.22 C +ATOM 634 C PHE A 86 0.346 -13.824 -7.150 1.00 17.96 C +ATOM 635 O PHE A 86 -0.638 -14.491 -7.401 1.00 19.83 O +ATOM 636 CB PHE A 86 -0.578 -11.865 -6.000 1.00 23.81 C +ATOM 637 CG PHE A 86 0.085 -12.155 -4.668 1.00 29.66 C +ATOM 638 CD1 PHE A 86 1.052 -11.301 -4.155 1.00 19.34 C +ATOM 639 CD2 PHE A 86 -0.157 -13.345 -3.993 1.00 29.71 C +ATOM 640 CE1 PHE A 86 1.765 -11.637 -3.008 1.00 20.42 C +ATOM 641 CE2 PHE A 86 0.563 -13.672 -2.847 1.00 16.47 C +ATOM 642 CZ PHE A 86 1.516 -12.825 -2.365 1.00 14.00 C +ATOM 643 N PRO A 87 1.497 -14.371 -6.734 1.00 17.36 N +ATOM 644 CA PRO A 87 2.733 -13.731 -6.277 1.00 15.90 C +ATOM 645 C PRO A 87 3.529 -12.859 -7.243 1.00 17.32 C +ATOM 646 O PRO A 87 3.362 -12.940 -8.445 1.00 25.25 O +ATOM 647 CB PRO A 87 3.566 -14.926 -5.825 1.00 12.44 C +ATOM 648 CG PRO A 87 3.097 -16.003 -6.662 1.00 14.93 C +ATOM 649 CD PRO A 87 1.621 -15.826 -6.597 1.00 14.28 C +ATOM 650 N ARG A 88 4.370 -11.993 -6.690 1.00 13.73 N +ATOM 651 CA ARG A 88 5.248 -11.143 -7.479 1.00 15.84 C +ATOM 652 C ARG A 88 6.734 -11.526 -7.331 1.00 28.17 C +ATOM 653 O ARG A 88 7.593 -11.006 -8.044 1.00 28.27 O +ATOM 654 CB ARG A 88 5.080 -9.700 -7.072 1.00 16.22 C +ATOM 655 CG ARG A 88 3.808 -9.115 -7.543 1.00 22.11 C +ATOM 656 CD ARG A 88 3.632 -7.743 -7.000 1.00 21.72 C +ATOM 657 NE ARG A 88 2.337 -7.676 -6.329 1.00 48.47 N +ATOM 658 CZ ARG A 88 2.174 -7.566 -5.009 1.00 51.56 C +ATOM 659 NH1 ARG A 88 3.233 -7.457 -4.211 1.00 48.80 N +ATOM 660 NH2 ARG A 88 0.947 -7.522 -4.489 1.00 49.01 N +ATOM 661 N THR A 89 7.042 -12.443 -6.414 1.00 27.78 N +ATOM 662 CA THR A 89 8.423 -12.849 -6.179 1.00 22.44 C +ATOM 663 C THR A 89 8.469 -14.304 -5.725 1.00 23.02 C +ATOM 664 O THR A 89 7.450 -14.826 -5.270 1.00 29.88 O +ATOM 665 CB THR A 89 9.018 -12.014 -5.046 1.00 20.50 C +ATOM 666 OG1 THR A 89 8.308 -12.308 -3.842 1.00 26.51 O +ATOM 667 CG2 THR A 89 8.890 -10.535 -5.326 1.00 19.20 C +ATOM 668 N ILE A 90 9.643 -14.947 -5.829 1.00 27.74 N +ATOM 669 CA ILE A 90 9.848 -16.353 -5.387 1.00 19.61 C +ATOM 670 C ILE A 90 9.563 -16.476 -3.899 1.00 18.78 C +ATOM 671 O ILE A 90 9.058 -17.497 -3.452 1.00 23.93 O +ATOM 672 CB ILE A 90 11.292 -16.877 -5.667 1.00 21.39 C +ATOM 673 CG1 ILE A 90 11.481 -17.118 -7.167 1.00 21.41 C +ATOM 674 CG2 ILE A 90 11.574 -18.178 -4.855 1.00 15.36 C +ATOM 675 CD1 ILE A 90 12.916 -17.320 -7.596 1.00 22.52 C +ATOM 676 N PRO A 91 9.982 -15.478 -3.102 1.00 20.68 N +ATOM 677 CA PRO A 91 9.733 -15.505 -1.668 1.00 21.23 C +ATOM 678 C PRO A 91 8.248 -15.565 -1.402 1.00 24.83 C +ATOM 679 O PRO A 91 7.830 -16.255 -0.485 1.00 38.11 O +ATOM 680 CB PRO A 91 10.304 -14.183 -1.218 1.00 22.95 C +ATOM 681 CG PRO A 91 11.508 -14.075 -2.055 1.00 19.17 C +ATOM 682 CD PRO A 91 10.943 -14.403 -3.408 1.00 20.52 C +ATOM 683 N GLN A 92 7.455 -14.821 -2.175 1.00 27.67 N +ATOM 684 CA GLN A 92 5.989 -14.839 -2.027 1.00 21.79 C +ATOM 685 C GLN A 92 5.370 -16.146 -2.508 1.00 21.36 C +ATOM 686 O GLN A 92 4.463 -16.686 -1.881 1.00 27.98 O +ATOM 687 CB GLN A 92 5.374 -13.699 -2.800 1.00 18.72 C +ATOM 688 CG GLN A 92 5.490 -12.400 -2.062 1.00 24.02 C +ATOM 689 CD GLN A 92 5.209 -11.201 -2.920 1.00 25.75 C +ATOM 690 OE1 GLN A 92 5.181 -10.077 -2.428 1.00 26.66 O +ATOM 691 NE2 GLN A 92 5.067 -11.416 -4.222 1.00 20.26 N +ATOM 692 N ALA A 93 5.895 -16.672 -3.609 1.00 25.28 N +ATOM 693 CA ALA A 93 5.415 -17.915 -4.186 1.00 17.64 C +ATOM 694 C ALA A 93 5.724 -19.099 -3.289 1.00 17.89 C +ATOM 695 O ALA A 93 4.922 -20.004 -3.127 1.00 25.23 O +ATOM 696 CB ALA A 93 6.049 -18.119 -5.566 1.00 20.35 C +ATOM 697 N ASP A 94 6.912 -19.096 -2.723 1.00 22.38 N +ATOM 698 CA ASP A 94 7.335 -20.175 -1.866 1.00 22.19 C +ATOM 699 C ASP A 94 6.493 -20.235 -0.600 1.00 15.62 C +ATOM 700 O ASP A 94 6.163 -21.315 -0.132 1.00 17.98 O +ATOM 701 CB ASP A 94 8.814 -20.013 -1.540 1.00 24.08 C +ATOM 702 CG ASP A 94 9.487 -21.331 -1.326 1.00 34.20 C +ATOM 703 OD1 ASP A 94 9.729 -22.033 -2.331 1.00 41.75 O +ATOM 704 OD2 ASP A 94 9.728 -21.685 -0.153 1.00 39.06 O +ATOM 705 N ALA A 95 6.127 -19.072 -0.067 1.00 15.98 N +ATOM 706 CA ALA A 95 5.301 -18.979 1.142 1.00 22.73 C +ATOM 707 C ALA A 95 3.908 -19.507 0.887 1.00 23.86 C +ATOM 708 O ALA A 95 3.321 -20.141 1.751 1.00 33.99 O +ATOM 709 CB ALA A 95 5.225 -17.562 1.644 1.00 22.28 C +ATOM 710 N MET A 96 3.366 -19.245 -0.292 1.00 21.31 N +ATOM 711 CA MET A 96 2.051 -19.767 -0.607 1.00 16.80 C +ATOM 712 C MET A 96 2.112 -21.264 -0.564 1.00 15.32 C +ATOM 713 O MET A 96 1.181 -21.899 -0.097 1.00 20.89 O +ATOM 714 CB MET A 96 1.603 -19.350 -1.996 1.00 10.89 C +ATOM 715 CG MET A 96 0.961 -18.000 -2.012 1.00 18.49 C +ATOM 716 SD MET A 96 0.720 -17.544 -3.700 1.00 33.23 S +ATOM 717 CE MET A 96 -0.855 -18.271 -4.003 1.00 16.18 C +ATOM 718 N LYS A 97 3.198 -21.839 -1.059 1.00 15.79 N +ATOM 719 CA LYS A 97 3.301 -23.289 -1.077 1.00 23.25 C +ATOM 720 C LYS A 97 3.358 -23.845 0.332 1.00 30.72 C +ATOM 721 O LYS A 97 2.708 -24.848 0.632 1.00 33.70 O +ATOM 722 CB LYS A 97 4.528 -23.758 -1.868 1.00 22.15 C +ATOM 723 CG LYS A 97 4.538 -25.279 -2.059 1.00 36.03 C +ATOM 724 CD LYS A 97 5.473 -25.769 -3.159 1.00 36.07 C +ATOM 725 CE LYS A 97 6.919 -25.770 -2.739 1.00 39.56 C +ATOM 726 NZ LYS A 97 7.701 -26.651 -3.655 1.00 37.58 N +ATOM 727 N GLU A 98 4.131 -23.168 1.182 1.00 36.37 N +ATOM 728 CA GLU A 98 4.337 -23.551 2.575 1.00 35.95 C +ATOM 729 C GLU A 98 3.073 -23.465 3.401 1.00 33.57 C +ATOM 730 O GLU A 98 2.905 -24.216 4.359 1.00 41.70 O +ATOM 731 CB GLU A 98 5.436 -22.698 3.206 1.00 43.10 C +ATOM 732 CG GLU A 98 6.795 -22.816 2.520 1.00 56.84 C +ATOM 733 CD GLU A 98 7.554 -24.071 2.911 1.00 72.11 C +ATOM 734 OE1 GLU A 98 7.983 -24.146 4.087 1.00 79.50 O +ATOM 735 OE2 GLU A 98 7.733 -24.971 2.047 1.00 76.65 O +ATOM 736 N ALA A 99 2.197 -22.529 3.058 1.00 30.59 N +ATOM 737 CA ALA A 99 0.921 -22.393 3.754 1.00 24.42 C +ATOM 738 C ALA A 99 -0.123 -23.395 3.234 1.00 23.68 C +ATOM 739 O ALA A 99 -1.263 -23.397 3.704 1.00 32.46 O +ATOM 740 CB ALA A 99 0.393 -20.971 3.639 1.00 23.91 C +ATOM 741 N GLY A 100 0.266 -24.217 2.250 1.00 22.97 N +ATOM 742 CA GLY A 100 -0.621 -25.227 1.679 1.00 20.96 C +ATOM 743 C GLY A 100 -1.509 -24.747 0.545 1.00 21.24 C +ATOM 744 O GLY A 100 -2.408 -25.457 0.119 1.00 34.50 O +ATOM 745 N ILE A 101 -1.248 -23.549 0.046 1.00 19.62 N +ATOM 746 CA ILE A 101 -2.019 -22.965 -1.036 1.00 20.00 C +ATOM 747 C ILE A 101 -1.484 -23.407 -2.397 1.00 22.23 C +ATOM 748 O ILE A 101 -0.587 -22.783 -2.947 1.00 26.29 O +ATOM 749 CB ILE A 101 -1.952 -21.438 -0.950 1.00 14.37 C +ATOM 750 CG1 ILE A 101 -2.504 -20.971 0.394 1.00 20.28 C +ATOM 751 CG2 ILE A 101 -2.757 -20.815 -2.065 1.00 26.61 C +ATOM 752 CD1 ILE A 101 -2.301 -19.507 0.665 1.00 19.51 C +ATOM 753 N ASN A 102 -1.995 -24.501 -2.928 1.00 22.11 N +ATOM 754 CA ASN A 102 -1.521 -24.964 -4.218 1.00 25.99 C +ATOM 755 C ASN A 102 -2.342 -24.299 -5.311 1.00 25.65 C +ATOM 756 O ASN A 102 -3.386 -23.727 -5.024 1.00 24.93 O +ATOM 757 CB ASN A 102 -1.652 -26.481 -4.319 1.00 24.62 C +ATOM 758 CG ASN A 102 -3.080 -26.931 -4.235 1.00 36.20 C +ATOM 759 OD1 ASN A 102 -3.741 -26.688 -3.228 1.00 41.00 O +ATOM 760 ND2 ASN A 102 -3.587 -27.559 -5.301 1.00 28.16 N +ATOM 761 N VAL A 103 -1.848 -24.340 -6.552 1.00 27.03 N +ATOM 762 CA VAL A 103 -2.549 -23.751 -7.701 1.00 24.39 C +ATOM 763 C VAL A 103 -2.460 -24.693 -8.864 1.00 19.07 C +ATOM 764 O VAL A 103 -1.428 -25.251 -9.138 1.00 25.97 O +ATOM 765 CB VAL A 103 -1.987 -22.367 -8.166 1.00 22.10 C +ATOM 766 CG1 VAL A 103 -2.159 -21.336 -7.090 1.00 16.42 C +ATOM 767 CG2 VAL A 103 -0.546 -22.458 -8.575 1.00 24.02 C +ATOM 768 N ASP A 104 -3.549 -24.871 -9.570 1.00 19.57 N +ATOM 769 CA ASP A 104 -3.511 -25.770 -10.690 1.00 17.19 C +ATOM 770 C ASP A 104 -2.793 -25.183 -11.873 1.00 15.75 C +ATOM 771 O ASP A 104 -2.163 -25.923 -12.613 1.00 22.74 O +ATOM 772 CB ASP A 104 -4.927 -26.120 -11.113 1.00 24.88 C +ATOM 773 CG ASP A 104 -5.708 -26.712 -10.012 1.00 24.98 C +ATOM 774 OD1 ASP A 104 -5.427 -27.881 -9.675 1.00 43.24 O +ATOM 775 OD2 ASP A 104 -6.568 -26.002 -9.460 1.00 27.72 O +ATOM 776 N TYR A 105 -2.969 -23.881 -12.112 1.00 17.82 N +ATOM 777 CA TYR A 105 -2.364 -23.232 -13.265 1.00 12.16 C +ATOM 778 C TYR A 105 -1.754 -21.901 -13.021 1.00 8.50 C +ATOM 779 O TYR A 105 -2.283 -21.077 -12.308 1.00 12.46 O +ATOM 780 CB TYR A 105 -3.374 -23.004 -14.358 1.00 11.28 C +ATOM 781 CG TYR A 105 -3.932 -24.246 -14.907 1.00 15.27 C +ATOM 782 CD1 TYR A 105 -5.070 -24.809 -14.333 1.00 24.66 C +ATOM 783 CD2 TYR A 105 -3.347 -24.877 -16.002 1.00 19.68 C +ATOM 784 CE1 TYR A 105 -5.624 -25.978 -14.826 1.00 22.49 C +ATOM 785 CE2 TYR A 105 -3.896 -26.061 -16.515 1.00 25.60 C +ATOM 786 CZ TYR A 105 -5.041 -26.598 -15.909 1.00 25.06 C +ATOM 787 OH TYR A 105 -5.623 -27.759 -16.356 1.00 33.74 O +ATOM 788 N VAL A 106 -0.694 -21.659 -13.763 1.00 18.01 N +ATOM 789 CA VAL A 106 0.038 -20.419 -13.718 1.00 17.35 C +ATOM 790 C VAL A 106 0.133 -20.080 -15.186 1.00 19.21 C +ATOM 791 O VAL A 106 0.763 -20.799 -15.979 1.00 13.86 O +ATOM 792 CB VAL A 106 1.436 -20.615 -13.159 1.00 18.30 C +ATOM 793 CG1 VAL A 106 2.163 -19.304 -13.179 1.00 18.64 C +ATOM 794 CG2 VAL A 106 1.362 -21.183 -11.754 1.00 15.06 C +ATOM 795 N LEU A 107 -0.591 -19.041 -15.559 1.00 18.69 N +ATOM 796 CA LEU A 107 -0.631 -18.614 -16.936 1.00 24.97 C +ATOM 797 C LEU A 107 0.114 -17.314 -17.072 1.00 18.25 C +ATOM 798 O LEU A 107 -0.049 -16.424 -16.259 1.00 23.62 O +ATOM 799 CB LEU A 107 -2.079 -18.414 -17.370 1.00 28.61 C +ATOM 800 CG LEU A 107 -3.071 -19.535 -17.051 1.00 30.93 C +ATOM 801 CD1 LEU A 107 -4.463 -19.069 -17.428 1.00 34.74 C +ATOM 802 CD2 LEU A 107 -2.724 -20.799 -17.807 1.00 34.73 C +ATOM 803 N GLU A 108 0.979 -17.227 -18.069 1.00 22.27 N +ATOM 804 CA GLU A 108 1.720 -16.011 -18.301 1.00 14.08 C +ATOM 805 C GLU A 108 1.173 -15.440 -19.582 1.00 18.47 C +ATOM 806 O GLU A 108 1.270 -16.058 -20.626 1.00 21.54 O +ATOM 807 CB GLU A 108 3.209 -16.288 -18.472 1.00 21.45 C +ATOM 808 CG GLU A 108 4.021 -14.992 -18.546 1.00 22.56 C +ATOM 809 CD GLU A 108 5.425 -15.174 -19.060 1.00 24.65 C +ATOM 810 OE1 GLU A 108 5.861 -16.335 -19.245 1.00 19.36 O +ATOM 811 OE2 GLU A 108 6.082 -14.131 -19.290 1.00 31.53 O +ATOM 812 N PHE A 109 0.566 -14.273 -19.489 1.00 18.92 N +ATOM 813 CA PHE A 109 -0.008 -13.621 -20.634 1.00 22.01 C +ATOM 814 C PHE A 109 1.117 -12.841 -21.283 1.00 19.92 C +ATOM 815 O PHE A 109 1.519 -11.794 -20.802 1.00 23.47 O +ATOM 816 CB PHE A 109 -1.113 -12.712 -20.156 1.00 22.35 C +ATOM 817 CG PHE A 109 -2.099 -12.358 -21.208 1.00 23.54 C +ATOM 818 CD1 PHE A 109 -3.182 -13.183 -21.451 1.00 25.40 C +ATOM 819 CD2 PHE A 109 -2.016 -11.127 -21.873 1.00 30.32 C +ATOM 820 CE1 PHE A 109 -4.186 -12.790 -22.330 1.00 31.74 C +ATOM 821 CE2 PHE A 109 -3.020 -10.713 -22.763 1.00 16.97 C +ATOM 822 CZ PHE A 109 -4.107 -11.546 -22.987 1.00 27.36 C +ATOM 823 N ASP A 110 1.596 -13.334 -22.412 1.00 19.10 N +ATOM 824 CA ASP A 110 2.733 -12.724 -23.092 1.00 22.26 C +ATOM 825 C ASP A 110 2.493 -11.719 -24.225 1.00 25.25 C +ATOM 826 O ASP A 110 1.869 -12.055 -25.224 1.00 36.02 O +ATOM 827 CB ASP A 110 3.603 -13.856 -23.615 1.00 31.65 C +ATOM 828 CG ASP A 110 4.915 -13.381 -24.131 1.00 35.66 C +ATOM 829 OD1 ASP A 110 5.602 -12.653 -23.394 1.00 33.70 O +ATOM 830 OD2 ASP A 110 5.255 -13.743 -25.276 1.00 50.40 O +ATOM 831 N VAL A 111 2.979 -10.490 -24.060 1.00 25.85 N +ATOM 832 CA VAL A 111 2.887 -9.442 -25.089 1.00 22.78 C +ATOM 833 C VAL A 111 4.222 -8.701 -25.064 1.00 27.86 C +ATOM 834 O VAL A 111 4.597 -8.130 -24.037 1.00 36.47 O +ATOM 835 CB VAL A 111 1.783 -8.417 -24.832 1.00 20.62 C +ATOM 836 CG1 VAL A 111 1.838 -7.346 -25.912 1.00 18.76 C +ATOM 837 CG2 VAL A 111 0.422 -9.095 -24.811 1.00 18.08 C +ATOM 838 N PRO A 112 4.967 -8.735 -26.181 1.00 32.93 N +ATOM 839 CA PRO A 112 6.278 -8.108 -26.392 1.00 27.47 C +ATOM 840 C PRO A 112 6.342 -6.667 -25.949 1.00 24.88 C +ATOM 841 O PRO A 112 5.510 -5.839 -26.328 1.00 23.46 O +ATOM 842 CB PRO A 112 6.471 -8.229 -27.900 1.00 36.49 C +ATOM 843 CG PRO A 112 5.791 -9.541 -28.202 1.00 36.23 C +ATOM 844 CD PRO A 112 4.516 -9.418 -27.408 1.00 37.09 C +ATOM 845 N ASP A 113 7.380 -6.361 -25.189 1.00 28.58 N +ATOM 846 CA ASP A 113 7.570 -5.021 -24.664 1.00 30.49 C +ATOM 847 C ASP A 113 7.311 -3.927 -25.661 1.00 27.95 C +ATOM 848 O ASP A 113 6.638 -2.954 -25.346 1.00 30.96 O +ATOM 849 CB ASP A 113 8.981 -4.846 -24.090 1.00 35.42 C +ATOM 850 CG ASP A 113 9.156 -5.514 -22.739 1.00 36.10 C +ATOM 851 OD1 ASP A 113 8.183 -6.118 -22.218 1.00 38.70 O +ATOM 852 OD2 ASP A 113 10.276 -5.411 -22.196 1.00 34.22 O +ATOM 853 N GLU A 114 7.874 -4.067 -26.854 1.00 34.02 N +ATOM 854 CA GLU A 114 7.702 -3.047 -27.883 1.00 32.02 C +ATOM 855 C GLU A 114 6.254 -2.841 -28.231 1.00 26.57 C +ATOM 856 O GLU A 114 5.824 -1.717 -28.432 1.00 25.39 O +ATOM 857 CB GLU A 114 8.491 -3.383 -29.155 1.00 43.95 C +ATOM 858 CG GLU A 114 9.983 -3.087 -29.072 1.00 52.13 C +ATOM 859 CD GLU A 114 10.278 -1.698 -28.530 1.00 58.43 C +ATOM 860 OE1 GLU A 114 9.791 -0.691 -29.115 1.00 59.64 O +ATOM 861 OE2 GLU A 114 10.999 -1.629 -27.506 1.00 55.12 O +ATOM 862 N LEU A 115 5.496 -3.927 -28.286 1.00 23.02 N +ATOM 863 CA LEU A 115 4.102 -3.807 -28.622 1.00 20.90 C +ATOM 864 C LEU A 115 3.358 -3.107 -27.513 1.00 24.29 C +ATOM 865 O LEU A 115 2.516 -2.251 -27.779 1.00 25.93 O +ATOM 866 CB LEU A 115 3.511 -5.164 -28.966 1.00 25.86 C +ATOM 867 CG LEU A 115 3.803 -5.594 -30.413 1.00 24.56 C +ATOM 868 CD1 LEU A 115 5.245 -6.019 -30.624 1.00 25.68 C +ATOM 869 CD2 LEU A 115 2.878 -6.720 -30.763 1.00 35.21 C +ATOM 870 N ILE A 116 3.728 -3.409 -26.267 1.00 28.80 N +ATOM 871 CA ILE A 116 3.103 -2.760 -25.109 1.00 27.03 C +ATOM 872 C ILE A 116 3.470 -1.267 -25.126 1.00 25.43 C +ATOM 873 O ILE A 116 2.614 -0.415 -24.873 1.00 32.42 O +ATOM 874 CB ILE A 116 3.588 -3.359 -23.749 1.00 23.29 C +ATOM 875 CG1 ILE A 116 3.043 -4.764 -23.535 1.00 22.29 C +ATOM 876 CG2 ILE A 116 3.142 -2.474 -22.595 1.00 25.43 C +ATOM 877 CD1 ILE A 116 3.656 -5.447 -22.326 1.00 19.20 C +ATOM 878 N VAL A 117 4.749 -0.965 -25.368 1.00 24.16 N +ATOM 879 CA VAL A 117 5.245 0.415 -25.424 1.00 23.84 C +ATOM 880 C VAL A 117 4.421 1.195 -26.442 1.00 26.81 C +ATOM 881 O VAL A 117 3.957 2.288 -26.146 1.00 30.82 O +ATOM 882 CB VAL A 117 6.727 0.499 -25.869 1.00 21.29 C +ATOM 883 CG1 VAL A 117 7.159 1.924 -25.890 1.00 21.72 C +ATOM 884 CG2 VAL A 117 7.626 -0.269 -24.949 1.00 18.79 C +ATOM 885 N ASP A 118 4.209 0.600 -27.617 1.00 35.61 N +ATOM 886 CA ASP A 118 3.433 1.204 -28.704 1.00 44.37 C +ATOM 887 C ASP A 118 1.970 1.386 -28.331 1.00 46.52 C +ATOM 888 O ASP A 118 1.332 2.373 -28.722 1.00 50.71 O +ATOM 889 CB ASP A 118 3.514 0.345 -29.971 1.00 54.94 C +ATOM 890 CG ASP A 118 4.943 0.221 -30.524 1.00 72.81 C +ATOM 891 OD1 ASP A 118 5.836 1.012 -30.129 1.00 79.99 O +ATOM 892 OD2 ASP A 118 5.176 -0.685 -31.360 1.00 79.90 O +ATOM 893 N ARG A 119 1.432 0.417 -27.601 1.00 46.17 N +ATOM 894 CA ARG A 119 0.045 0.469 -27.172 1.00 42.47 C +ATOM 895 C ARG A 119 -0.177 1.561 -26.158 1.00 38.41 C +ATOM 896 O ARG A 119 -1.291 2.021 -25.996 1.00 44.02 O +ATOM 897 CB ARG A 119 -0.402 -0.871 -26.581 1.00 44.74 C +ATOM 898 CG ARG A 119 -0.466 -1.996 -27.607 1.00 50.68 C +ATOM 899 CD ARG A 119 -0.728 -3.357 -26.986 1.00 57.44 C +ATOM 900 NE ARG A 119 -0.775 -4.407 -28.009 1.00 62.21 N +ATOM 901 CZ ARG A 119 -1.142 -5.667 -27.779 1.00 61.96 C +ATOM 902 NH1 ARG A 119 -1.483 -6.048 -26.555 1.00 66.73 N +ATOM 903 NH2 ARG A 119 -1.159 -6.553 -28.768 1.00 60.83 N +ATOM 904 N ILE A 120 0.887 2.045 -25.538 1.00 35.84 N +ATOM 905 CA ILE A 120 0.711 3.053 -24.516 1.00 33.48 C +ATOM 906 C ILE A 120 1.254 4.431 -24.787 1.00 38.02 C +ATOM 907 O ILE A 120 0.517 5.400 -24.674 1.00 45.70 O +ATOM 908 CB ILE A 120 1.236 2.547 -23.145 1.00 31.88 C +ATOM 909 CG1 ILE A 120 0.346 1.416 -22.638 1.00 28.78 C +ATOM 910 CG2 ILE A 120 1.276 3.673 -22.121 1.00 24.85 C +ATOM 911 CD1 ILE A 120 1.037 0.511 -21.647 1.00 37.67 C +ATOM 912 N VAL A 121 2.528 4.551 -25.133 1.00 40.70 N +ATOM 913 CA VAL A 121 3.078 5.887 -25.342 1.00 44.56 C +ATOM 914 C VAL A 121 2.273 6.717 -26.340 1.00 52.05 C +ATOM 915 O VAL A 121 2.068 7.923 -26.134 1.00 52.73 O +ATOM 916 CB VAL A 121 4.584 5.868 -25.722 1.00 40.01 C +ATOM 917 CG1 VAL A 121 5.349 4.958 -24.784 1.00 38.17 C +ATOM 918 CG2 VAL A 121 4.781 5.470 -27.167 1.00 37.31 C +ATOM 919 N GLY A 122 1.727 6.045 -27.355 1.00 55.63 N +ATOM 920 CA GLY A 122 0.963 6.738 -28.375 1.00 56.67 C +ATOM 921 C GLY A 122 -0.485 7.032 -28.044 1.00 58.71 C +ATOM 922 O GLY A 122 -1.349 6.906 -28.917 1.00 62.09 O +ATOM 923 N ARG A 123 -0.785 7.399 -26.803 1.00 59.98 N +ATOM 924 CA ARG A 123 -2.167 7.692 -26.465 1.00 60.18 C +ATOM 925 C ARG A 123 -2.349 9.062 -25.856 1.00 61.26 C +ATOM 926 O ARG A 123 -1.581 9.486 -24.985 1.00 63.95 O +ATOM 927 CB ARG A 123 -2.818 6.581 -25.616 1.00 58.74 C +ATOM 928 CG ARG A 123 -2.507 6.553 -24.137 1.00 56.26 C +ATOM 929 CD ARG A 123 -3.358 5.488 -23.448 1.00 56.51 C +ATOM 930 NE ARG A 123 -2.966 5.312 -22.058 1.00 54.62 N +ATOM 931 CZ ARG A 123 -2.623 4.145 -21.522 1.00 60.02 C +ATOM 932 NH1 ARG A 123 -2.660 3.036 -22.248 1.00 63.19 N +ATOM 933 NH2 ARG A 123 -2.262 4.081 -20.248 1.00 57.16 N +ATOM 934 N ARG A 124 -3.333 9.767 -26.416 1.00 66.86 N +ATOM 935 CA ARG A 124 -3.720 11.125 -26.034 1.00 66.62 C +ATOM 936 C ARG A 124 -5.060 11.016 -25.300 1.00 62.75 C +ATOM 937 O ARG A 124 -5.944 10.262 -25.718 1.00 63.27 O +ATOM 938 CB ARG A 124 -3.900 11.999 -27.286 1.00 69.46 C +ATOM 939 CG ARG A 124 -2.811 11.864 -28.356 1.00 74.84 C +ATOM 940 CD ARG A 124 -1.474 12.515 -27.972 1.00 78.17 C +ATOM 941 NE ARG A 124 -0.534 12.491 -29.098 1.00 80.81 N +ATOM 942 CZ ARG A 124 0.496 11.652 -29.205 1.00 79.23 C +ATOM 943 NH1 ARG A 124 0.753 10.780 -28.236 1.00 75.80 N +ATOM 944 NH2 ARG A 124 1.286 11.701 -30.273 1.00 79.30 N +ATOM 945 N VAL A 125 -5.232 11.816 -24.257 1.00 59.71 N +ATOM 946 CA VAL A 125 -6.439 11.778 -23.450 1.00 59.95 C +ATOM 947 C VAL A 125 -7.066 13.153 -23.227 1.00 58.01 C +ATOM 948 O VAL A 125 -6.369 14.167 -23.167 1.00 54.64 O +ATOM 949 CB VAL A 125 -6.127 11.154 -22.049 1.00 62.59 C +ATOM 950 CG1 VAL A 125 -5.422 9.809 -22.206 1.00 63.31 C +ATOM 951 CG2 VAL A 125 -5.255 12.093 -21.214 1.00 58.41 C +ATOM 952 N HIS A 126 -8.388 13.205 -23.159 1.00 62.07 N +ATOM 953 CA HIS A 126 -9.028 14.474 -22.864 1.00 70.81 C +ATOM 954 C HIS A 126 -9.128 14.522 -21.346 1.00 73.64 C +ATOM 955 O HIS A 126 -10.022 13.905 -20.756 1.00 67.83 O +ATOM 956 CB HIS A 126 -10.424 14.602 -23.466 1.00 72.91 C +ATOM 957 CG HIS A 126 -11.085 15.901 -23.122 1.00 76.37 C +ATOM 958 ND1 HIS A 126 -10.399 17.097 -23.110 1.00 78.38 N +ATOM 959 CD2 HIS A 126 -12.338 16.183 -22.694 1.00 77.84 C +ATOM 960 CE1 HIS A 126 -11.198 18.057 -22.679 1.00 75.59 C +ATOM 961 NE2 HIS A 126 -12.380 17.529 -22.421 1.00 77.83 N +ATOM 962 N ALA A 127 -8.212 15.261 -20.728 1.00 79.04 N +ATOM 963 CA ALA A 127 -8.159 15.378 -19.275 1.00 88.63 C +ATOM 964 C ALA A 127 -9.507 15.494 -18.525 1.00 95.72 C +ATOM 965 O ALA A 127 -9.860 14.582 -17.767 1.00 97.84 O +ATOM 966 CB ALA A 127 -7.180 16.486 -18.863 1.00 88.30 C +ATOM 967 N PRO A 128 -10.279 16.596 -18.727 1.00101.01 N +ATOM 968 CA PRO A 128 -11.571 16.743 -18.026 1.00100.11 C +ATOM 969 C PRO A 128 -12.766 15.958 -18.619 1.00 97.70 C +ATOM 970 O PRO A 128 -13.784 16.548 -19.003 1.00100.18 O +ATOM 971 CB PRO A 128 -11.828 18.266 -18.082 1.00102.27 C +ATOM 972 CG PRO A 128 -10.467 18.874 -18.375 1.00102.31 C +ATOM 973 CD PRO A 128 -9.903 17.877 -19.357 1.00103.28 C +ATOM 974 N SER A 129 -12.644 14.634 -18.672 1.00 93.37 N +ATOM 975 CA SER A 129 -13.695 13.757 -19.199 1.00 86.60 C +ATOM 976 C SER A 129 -13.192 12.322 -19.119 1.00 84.95 C +ATOM 977 O SER A 129 -13.970 11.374 -18.959 1.00 76.21 O +ATOM 978 CB SER A 129 -14.011 14.096 -20.656 1.00 84.14 C +ATOM 979 OG SER A 129 -12.925 13.771 -21.517 1.00 81.91 O +ATOM 980 N GLY A 130 -11.878 12.185 -19.285 1.00 85.52 N +ATOM 981 CA GLY A 130 -11.241 10.889 -19.225 1.00 85.80 C +ATOM 982 C GLY A 130 -11.185 10.173 -20.557 1.00 85.79 C +ATOM 983 O GLY A 130 -10.603 9.090 -20.632 1.00 90.38 O +ATOM 984 N ARG A 131 -11.774 10.759 -21.601 1.00 81.98 N +ATOM 985 CA ARG A 131 -11.770 10.135 -22.926 1.00 77.48 C +ATOM 986 C ARG A 131 -10.342 9.841 -23.385 1.00 74.18 C +ATOM 987 O ARG A 131 -9.442 10.669 -23.203 1.00 71.03 O +ATOM 988 CB ARG A 131 -12.491 11.014 -23.946 1.00 82.26 C +ATOM 989 CG ARG A 131 -13.945 10.619 -24.193 1.00 86.49 C +ATOM 990 CD ARG A 131 -14.923 11.593 -23.556 1.00 88.01 C +ATOM 991 NE ARG A 131 -14.716 12.969 -24.006 1.00 86.02 N +ATOM 992 CZ ARG A 131 -15.408 14.007 -23.552 1.00 88.71 C +ATOM 993 NH1 ARG A 131 -16.351 13.835 -22.635 1.00 95.13 N +ATOM 994 NH2 ARG A 131 -15.154 15.222 -24.004 1.00 87.89 N +ATOM 995 N VAL A 132 -10.145 8.673 -23.995 1.00 70.85 N +ATOM 996 CA VAL A 132 -8.814 8.251 -24.434 1.00 68.13 C +ATOM 997 C VAL A 132 -8.738 7.874 -25.911 1.00 63.58 C +ATOM 998 O VAL A 132 -9.602 7.166 -26.442 1.00 64.70 O +ATOM 999 CB VAL A 132 -8.275 7.077 -23.548 1.00 65.24 C +ATOM 1000 CG1 VAL A 132 -9.055 5.801 -23.814 1.00 69.78 C +ATOM 1001 CG2 VAL A 132 -6.796 6.860 -23.781 1.00 67.56 C +ATOM 1002 N TYR A 133 -7.678 8.344 -26.555 1.00 59.25 N +ATOM 1003 CA TYR A 133 -7.447 8.105 -27.966 1.00 52.66 C +ATOM 1004 C TYR A 133 -6.090 7.485 -28.117 1.00 47.16 C +ATOM 1005 O TYR A 133 -5.314 7.447 -27.164 1.00 44.78 O +ATOM 1006 CB TYR A 133 -7.451 9.437 -28.726 1.00 51.96 C +ATOM 1007 CG TYR A 133 -8.713 10.218 -28.511 1.00 53.38 C +ATOM 1008 CD1 TYR A 133 -9.834 10.002 -29.313 1.00 48.85 C +ATOM 1009 CD2 TYR A 133 -8.823 11.106 -27.445 1.00 54.84 C +ATOM 1010 CE1 TYR A 133 -11.035 10.641 -29.050 1.00 48.96 C +ATOM 1011 CE2 TYR A 133 -10.020 11.754 -27.170 1.00 54.14 C +ATOM 1012 CZ TYR A 133 -11.122 11.516 -27.973 1.00 52.07 C +ATOM 1013 OH TYR A 133 -12.316 12.143 -27.681 1.00 55.20 O +ATOM 1014 N HIS A 134 -5.839 6.950 -29.305 1.00 44.50 N +ATOM 1015 CA HIS A 134 -4.543 6.390 -29.661 1.00 45.34 C +ATOM 1016 C HIS A 134 -4.231 6.776 -31.115 1.00 47.72 C +ATOM 1017 O HIS A 134 -4.827 6.234 -32.049 1.00 44.55 O +ATOM 1018 CB HIS A 134 -4.474 4.871 -29.497 1.00 41.70 C +ATOM 1019 CG HIS A 134 -3.086 4.333 -29.676 1.00 42.48 C +ATOM 1020 ND1 HIS A 134 -2.531 4.095 -30.911 1.00 43.46 N +ATOM 1021 CD2 HIS A 134 -2.116 4.060 -28.770 1.00 40.69 C +ATOM 1022 CE1 HIS A 134 -1.281 3.697 -30.765 1.00 48.10 C +ATOM 1023 NE2 HIS A 134 -1.002 3.667 -29.476 1.00 44.05 N +ATOM 1024 N VAL A 135 -3.272 7.685 -31.284 1.00 49.35 N +ATOM 1025 CA VAL A 135 -2.851 8.189 -32.585 1.00 52.43 C +ATOM 1026 C VAL A 135 -2.996 7.184 -33.721 1.00 60.79 C +ATOM 1027 O VAL A 135 -3.278 7.567 -34.853 1.00 67.32 O +ATOM 1028 CB VAL A 135 -1.408 8.723 -32.548 1.00 54.02 C +ATOM 1029 CG1 VAL A 135 -1.332 9.958 -31.659 1.00 55.14 C +ATOM 1030 CG2 VAL A 135 -0.450 7.652 -32.057 1.00 48.08 C +ATOM 1031 N LYS A 136 -2.780 5.904 -33.431 1.00 63.27 N +ATOM 1032 CA LYS A 136 -2.947 4.882 -34.453 1.00 60.90 C +ATOM 1033 C LYS A 136 -4.286 4.175 -34.306 1.00 60.63 C +ATOM 1034 O LYS A 136 -5.138 4.279 -35.180 1.00 65.96 O +ATOM 1035 CB LYS A 136 -1.819 3.841 -34.415 1.00 61.70 C +ATOM 1036 CG LYS A 136 -0.456 4.320 -34.899 1.00 67.31 C +ATOM 1037 CD LYS A 136 0.394 4.850 -33.739 1.00 78.88 C +ATOM 1038 CE LYS A 136 1.769 5.375 -34.187 1.00 80.86 C +ATOM 1039 NZ LYS A 136 2.563 5.925 -33.036 1.00 81.42 N +ATOM 1040 N PHE A 137 -4.489 3.535 -33.154 1.00 60.31 N +ATOM 1041 CA PHE A 137 -5.691 2.739 -32.873 1.00 62.64 C +ATOM 1042 C PHE A 137 -7.058 3.406 -32.864 1.00 64.76 C +ATOM 1043 O PHE A 137 -8.012 2.839 -33.395 1.00 67.11 O +ATOM 1044 CB PHE A 137 -5.481 1.891 -31.611 1.00 60.53 C +ATOM 1045 CG PHE A 137 -4.126 1.228 -31.557 1.00 60.32 C +ATOM 1046 CD1 PHE A 137 -3.505 0.785 -32.722 1.00 57.29 C +ATOM 1047 CD2 PHE A 137 -3.428 1.143 -30.360 1.00 60.36 C +ATOM 1048 CE1 PHE A 137 -2.213 0.285 -32.700 1.00 52.99 C +ATOM 1049 CE2 PHE A 137 -2.128 0.640 -30.327 1.00 56.96 C +ATOM 1050 CZ PHE A 137 -1.519 0.214 -31.500 1.00 56.34 C +ATOM 1051 N ASN A 138 -7.182 4.560 -32.215 1.00 69.58 N +ATOM 1052 CA ASN A 138 -8.460 5.283 -32.185 1.00 72.19 C +ATOM 1053 C ASN A 138 -8.200 6.783 -32.173 1.00 68.64 C +ATOM 1054 O ASN A 138 -8.435 7.476 -31.183 1.00 70.48 O +ATOM 1055 CB ASN A 138 -9.377 4.838 -31.017 1.00 79.73 C +ATOM 1056 CG ASN A 138 -8.969 5.414 -29.658 1.00 83.51 C +ATOM 1057 OD1 ASN A 138 -7.824 5.268 -29.218 1.00 87.52 O +ATOM 1058 ND2 ASN A 138 -9.916 6.064 -28.988 1.00 82.83 N +ATOM 1059 N PRO A 139 -7.686 7.302 -33.290 1.00 67.38 N +ATOM 1060 CA PRO A 139 -7.389 8.735 -33.401 1.00 66.75 C +ATOM 1061 C PRO A 139 -8.636 9.594 -33.286 1.00 64.02 C +ATOM 1062 O PRO A 139 -9.752 9.120 -33.508 1.00 68.11 O +ATOM 1063 CB PRO A 139 -6.777 8.842 -34.796 1.00 72.18 C +ATOM 1064 CG PRO A 139 -7.479 7.737 -35.565 1.00 71.86 C +ATOM 1065 CD PRO A 139 -7.448 6.604 -34.570 1.00 67.37 C +ATOM 1066 N PRO A 140 -8.482 10.835 -32.815 1.00 58.99 N +ATOM 1067 CA PRO A 140 -9.686 11.650 -32.732 1.00 58.73 C +ATOM 1068 C PRO A 140 -9.997 12.139 -34.146 1.00 62.58 C +ATOM 1069 O PRO A 140 -9.114 12.147 -35.011 1.00 59.19 O +ATOM 1070 CB PRO A 140 -9.262 12.784 -31.800 1.00 54.66 C +ATOM 1071 CG PRO A 140 -7.821 12.918 -32.060 1.00 54.15 C +ATOM 1072 CD PRO A 140 -7.352 11.488 -32.142 1.00 58.05 C +ATOM 1073 N LYS A 141 -11.262 12.472 -34.399 1.00 69.47 N +ATOM 1074 CA LYS A 141 -11.703 12.964 -35.707 1.00 74.57 C +ATOM 1075 C LYS A 141 -10.806 14.130 -36.090 1.00 73.44 C +ATOM 1076 O LYS A 141 -10.231 14.159 -37.175 1.00 72.42 O +ATOM 1077 CB LYS A 141 -13.167 13.419 -35.650 1.00 80.20 C +ATOM 1078 CG LYS A 141 -14.184 12.303 -35.414 1.00 82.79 C +ATOM 1079 CD LYS A 141 -15.564 12.893 -35.191 1.00 89.33 C +ATOM 1080 CE LYS A 141 -16.506 11.889 -34.550 1.00 96.21 C +ATOM 1081 NZ LYS A 141 -17.664 12.574 -33.885 1.00 99.76 N +ATOM 1082 N VAL A 142 -10.726 15.110 -35.202 1.00 77.03 N +ATOM 1083 CA VAL A 142 -9.854 16.249 -35.428 1.00 79.29 C +ATOM 1084 C VAL A 142 -8.649 15.832 -34.602 1.00 79.57 C +ATOM 1085 O VAL A 142 -8.681 15.895 -33.366 1.00 77.30 O +ATOM 1086 CB VAL A 142 -10.444 17.559 -34.864 1.00 79.17 C +ATOM 1087 CG1 VAL A 142 -9.603 18.746 -35.315 1.00 76.13 C +ATOM 1088 CG2 VAL A 142 -11.891 17.722 -35.304 1.00 80.03 C +ATOM 1089 N GLU A 143 -7.644 15.288 -35.279 1.00 77.42 N +ATOM 1090 CA GLU A 143 -6.442 14.821 -34.608 1.00 79.53 C +ATOM 1091 C GLU A 143 -5.853 15.885 -33.671 1.00 78.96 C +ATOM 1092 O GLU A 143 -5.673 17.045 -34.060 1.00 74.79 O +ATOM 1093 CB GLU A 143 -5.416 14.328 -35.634 1.00 81.86 C +ATOM 1094 CG GLU A 143 -4.122 13.746 -35.038 1.00 85.24 C +ATOM 1095 CD GLU A 143 -4.235 12.312 -34.514 1.00 83.41 C +ATOM 1096 OE1 GLU A 143 -4.635 11.406 -35.287 1.00 76.93 O +ATOM 1097 OE2 GLU A 143 -3.869 12.094 -33.333 1.00 85.27 O +ATOM 1098 N GLY A 144 -5.607 15.473 -32.423 1.00 79.37 N +ATOM 1099 CA GLY A 144 -5.069 16.360 -31.402 1.00 76.58 C +ATOM 1100 C GLY A 144 -6.166 17.117 -30.671 1.00 75.67 C +ATOM 1101 O GLY A 144 -5.901 17.828 -29.699 1.00 77.37 O +ATOM 1102 N LYS A 145 -7.410 16.904 -31.095 1.00 72.73 N +ATOM 1103 CA LYS A 145 -8.567 17.580 -30.522 1.00 66.40 C +ATOM 1104 C LYS A 145 -9.608 16.576 -30.057 1.00 64.19 C +ATOM 1105 O LYS A 145 -9.902 15.601 -30.760 1.00 64.68 O +ATOM 1106 CB LYS A 145 -9.214 18.463 -31.592 1.00 63.54 C +ATOM 1107 CG LYS A 145 -8.310 19.494 -32.221 1.00 56.65 C +ATOM 1108 CD LYS A 145 -8.319 20.766 -31.424 1.00 61.79 C +ATOM 1109 CE LYS A 145 -7.701 21.899 -32.218 1.00 71.26 C +ATOM 1110 NZ LYS A 145 -7.916 23.232 -31.575 1.00 74.76 N +ATOM 1111 N ASP A 146 -10.194 16.838 -28.895 1.00 60.45 N +ATOM 1112 CA ASP A 146 -11.239 15.970 -28.344 1.00 64.76 C +ATOM 1113 C ASP A 146 -12.524 16.157 -29.148 1.00 65.49 C +ATOM 1114 O ASP A 146 -13.059 17.270 -29.250 1.00 65.09 O +ATOM 1115 CB ASP A 146 -11.481 16.269 -26.856 1.00 63.78 C +ATOM 1116 CG ASP A 146 -12.724 15.589 -26.316 1.00 62.06 C +ATOM 1117 OD1 ASP A 146 -12.882 14.359 -26.481 1.00 58.70 O +ATOM 1118 OD2 ASP A 146 -13.559 16.306 -25.732 1.00 59.98 O +ATOM 1119 N ASP A 147 -13.040 15.045 -29.658 1.00 67.31 N +ATOM 1120 CA ASP A 147 -14.240 15.020 -30.488 1.00 70.48 C +ATOM 1121 C ASP A 147 -15.532 15.569 -29.907 1.00 74.62 C +ATOM 1122 O ASP A 147 -16.393 16.040 -30.651 1.00 79.73 O +ATOM 1123 CB ASP A 147 -14.476 13.600 -30.987 1.00 64.68 C +ATOM 1124 CG ASP A 147 -13.333 13.093 -31.828 1.00 67.01 C +ATOM 1125 OD1 ASP A 147 -12.535 13.937 -32.319 1.00 62.15 O +ATOM 1126 OD2 ASP A 147 -13.241 11.853 -31.997 1.00 63.97 O +ATOM 1127 N VAL A 148 -15.682 15.487 -28.589 1.00 78.16 N +ATOM 1128 CA VAL A 148 -16.894 15.968 -27.932 1.00 74.84 C +ATOM 1129 C VAL A 148 -16.886 17.437 -27.503 1.00 73.81 C +ATOM 1130 O VAL A 148 -17.931 18.080 -27.500 1.00 78.33 O +ATOM 1131 CB VAL A 148 -17.278 15.031 -26.761 1.00 73.54 C +ATOM 1132 CG1 VAL A 148 -18.016 15.785 -25.652 1.00 73.24 C +ATOM 1133 CG2 VAL A 148 -18.137 13.895 -27.300 1.00 68.21 C +ATOM 1134 N THR A 149 -15.712 17.982 -27.203 1.00 72.70 N +ATOM 1135 CA THR A 149 -15.623 19.374 -26.767 1.00 70.11 C +ATOM 1136 C THR A 149 -14.811 20.278 -27.701 1.00 72.86 C +ATOM 1137 O THR A 149 -14.901 21.510 -27.626 1.00 72.62 O +ATOM 1138 CB THR A 149 -15.000 19.457 -25.376 1.00 62.82 C +ATOM 1139 OG1 THR A 149 -13.665 18.948 -25.437 1.00 62.09 O +ATOM 1140 CG2 THR A 149 -15.801 18.634 -24.384 1.00 63.29 C +ATOM 1141 N GLY A 150 -14.050 19.672 -28.606 1.00 72.57 N +ATOM 1142 CA GLY A 150 -13.222 20.470 -29.487 1.00 74.82 C +ATOM 1143 C GLY A 150 -12.180 21.096 -28.583 1.00 74.81 C +ATOM 1144 O GLY A 150 -11.793 22.256 -28.745 1.00 76.21 O +ATOM 1145 N GLU A 151 -11.765 20.314 -27.589 1.00 75.54 N +ATOM 1146 CA GLU A 151 -10.771 20.738 -26.611 1.00 78.61 C +ATOM 1147 C GLU A 151 -9.517 19.890 -26.810 1.00 76.34 C +ATOM 1148 O GLU A 151 -9.610 18.696 -27.093 1.00 74.44 O +ATOM 1149 CB GLU A 151 -11.327 20.553 -25.196 1.00 80.11 C +ATOM 1150 CG GLU A 151 -10.614 21.343 -24.100 1.00 88.61 C +ATOM 1151 CD GLU A 151 -11.304 21.226 -22.742 1.00 92.01 C +ATOM 1152 OE1 GLU A 151 -12.533 20.991 -22.707 1.00 93.03 O +ATOM 1153 OE2 GLU A 151 -10.616 21.362 -21.706 1.00 95.54 O +ATOM 1154 N GLU A 152 -8.349 20.504 -26.668 1.00 76.20 N +ATOM 1155 CA GLU A 152 -7.096 19.788 -26.860 1.00 78.24 C +ATOM 1156 C GLU A 152 -6.891 18.600 -25.926 1.00 75.21 C +ATOM 1157 O GLU A 152 -7.337 18.588 -24.770 1.00 75.33 O +ATOM 1158 CB GLU A 152 -5.902 20.743 -26.784 1.00 83.07 C +ATOM 1159 CG GLU A 152 -5.801 21.704 -27.972 1.00 87.58 C +ATOM 1160 CD GLU A 152 -4.757 21.297 -29.007 1.00 86.92 C +ATOM 1161 OE1 GLU A 152 -4.731 20.115 -29.418 1.00 82.74 O +ATOM 1162 OE2 GLU A 152 -3.965 22.177 -29.416 1.00 87.38 O +ATOM 1163 N LEU A 153 -6.240 17.584 -26.472 1.00 69.86 N +ATOM 1164 CA LEU A 153 -5.950 16.369 -25.742 1.00 66.70 C +ATOM 1165 C LEU A 153 -4.543 16.448 -25.172 1.00 67.33 C +ATOM 1166 O LEU A 153 -3.738 17.289 -25.586 1.00 68.53 O +ATOM 1167 CB LEU A 153 -6.064 15.169 -26.679 1.00 62.56 C +ATOM 1168 CG LEU A 153 -7.386 14.988 -27.419 1.00 50.56 C +ATOM 1169 CD1 LEU A 153 -7.268 13.807 -28.357 1.00 46.88 C +ATOM 1170 CD2 LEU A 153 -8.505 14.780 -26.427 1.00 44.34 C +ATOM 1171 N THR A 154 -4.235 15.526 -24.266 1.00 67.70 N +ATOM 1172 CA THR A 154 -2.938 15.471 -23.603 1.00 66.10 C +ATOM 1173 C THR A 154 -2.388 14.047 -23.503 1.00 62.85 C +ATOM 1174 O THR A 154 -2.965 13.100 -24.023 1.00 53.99 O +ATOM 1175 CB THR A 154 -3.065 16.032 -22.181 1.00 68.09 C +ATOM 1176 OG1 THR A 154 -4.289 15.558 -21.597 1.00 72.45 O +ATOM 1177 CG2 THR A 154 -3.070 17.550 -22.206 1.00 68.00 C +ATOM 1178 N THR A 155 -1.233 13.906 -22.881 1.00 63.03 N +ATOM 1179 CA THR A 155 -0.653 12.593 -22.699 1.00 67.01 C +ATOM 1180 C THR A 155 -0.515 12.445 -21.207 1.00 66.17 C +ATOM 1181 O THR A 155 -0.205 13.421 -20.521 1.00 63.90 O +ATOM 1182 CB THR A 155 0.724 12.480 -23.352 1.00 68.20 C +ATOM 1183 OG1 THR A 155 1.319 13.783 -23.447 1.00 68.48 O +ATOM 1184 CG2 THR A 155 0.593 11.861 -24.730 1.00 71.81 C +ATOM 1185 N ARG A 156 -0.852 11.271 -20.692 1.00 66.59 N +ATOM 1186 CA ARG A 156 -0.733 11.036 -19.264 1.00 72.28 C +ATOM 1187 C ARG A 156 0.770 10.912 -18.943 1.00 73.18 C +ATOM 1188 O ARG A 156 1.577 10.587 -19.823 1.00 68.34 O +ATOM 1189 CB ARG A 156 -1.477 9.753 -18.886 1.00 79.59 C +ATOM 1190 CG ARG A 156 -2.244 9.818 -17.571 1.00 93.70 C +ATOM 1191 CD ARG A 156 -2.705 8.424 -17.089 1.00 99.77 C +ATOM 1192 NE ARG A 156 -3.553 7.709 -18.048 1.00103.15 N +ATOM 1193 CZ ARG A 156 -4.870 7.878 -18.184 1.00105.61 C +ATOM 1194 NH1 ARG A 156 -5.530 8.759 -17.440 1.00105.96 N +ATOM 1195 NH2 ARG A 156 -5.533 7.167 -19.088 1.00108.65 N +ATOM 1196 N LYS A 157 1.151 11.196 -17.698 1.00 78.44 N +ATOM 1197 CA LYS A 157 2.560 11.095 -17.291 1.00 80.64 C +ATOM 1198 C LYS A 157 3.022 9.646 -17.408 1.00 75.71 C +ATOM 1199 O LYS A 157 4.129 9.364 -17.868 1.00 71.17 O +ATOM 1200 CB LYS A 157 2.747 11.587 -15.846 1.00 89.08 C +ATOM 1201 CG LYS A 157 4.131 11.285 -15.234 1.00 97.23 C +ATOM 1202 CD LYS A 157 5.283 11.938 -16.010 1.00104.17 C +ATOM 1203 CE LYS A 157 5.409 13.437 -15.727 1.00106.94 C +ATOM 1204 NZ LYS A 157 5.938 13.743 -14.360 1.00109.80 N +ATOM 1205 N ASP A 158 2.135 8.743 -17.007 1.00 73.00 N +ATOM 1206 CA ASP A 158 2.384 7.312 -17.042 1.00 68.54 C +ATOM 1207 C ASP A 158 2.666 6.839 -18.456 1.00 62.97 C +ATOM 1208 O ASP A 158 3.540 6.005 -18.671 1.00 65.83 O +ATOM 1209 CB ASP A 158 1.166 6.556 -16.501 1.00 74.94 C +ATOM 1210 CG ASP A 158 0.770 6.994 -15.101 1.00 76.46 C +ATOM 1211 OD1 ASP A 158 1.650 7.439 -14.330 1.00 78.68 O +ATOM 1212 OD2 ASP A 158 -0.433 6.886 -14.776 1.00 79.15 O +ATOM 1213 N ASP A 159 1.926 7.390 -19.413 1.00 54.15 N +ATOM 1214 CA ASP A 159 2.061 7.029 -20.815 1.00 43.23 C +ATOM 1215 C ASP A 159 3.418 7.376 -21.411 1.00 42.36 C +ATOM 1216 O ASP A 159 3.785 6.866 -22.464 1.00 43.57 O +ATOM 1217 CB ASP A 159 0.956 7.696 -21.618 1.00 49.28 C +ATOM 1218 CG ASP A 159 -0.430 7.410 -21.060 1.00 50.66 C +ATOM 1219 OD1 ASP A 159 -0.545 6.562 -20.141 1.00 43.51 O +ATOM 1220 OD2 ASP A 159 -1.397 8.047 -21.550 1.00 51.35 O +ATOM 1221 N GLN A 160 4.169 8.225 -20.721 1.00 47.26 N +ATOM 1222 CA GLN A 160 5.498 8.640 -21.167 1.00 51.24 C +ATOM 1223 C GLN A 160 6.410 7.457 -21.454 1.00 44.46 C +ATOM 1224 O GLN A 160 6.620 6.609 -20.599 1.00 43.48 O +ATOM 1225 CB GLN A 160 6.140 9.535 -20.111 1.00 61.61 C +ATOM 1226 CG GLN A 160 6.023 11.016 -20.398 1.00 72.68 C +ATOM 1227 CD GLN A 160 7.370 11.642 -20.734 1.00 83.29 C +ATOM 1228 OE1 GLN A 160 8.332 10.948 -21.103 1.00 86.33 O +ATOM 1229 NE2 GLN A 160 7.449 12.960 -20.601 1.00 85.39 N +ATOM 1230 N GLU A 161 7.031 7.468 -22.622 1.00 41.20 N +ATOM 1231 CA GLU A 161 7.901 6.382 -23.030 1.00 45.72 C +ATOM 1232 C GLU A 161 8.967 5.994 -22.019 1.00 48.25 C +ATOM 1233 O GLU A 161 9.193 4.806 -21.782 1.00 50.49 O +ATOM 1234 CB GLU A 161 8.530 6.693 -24.382 1.00 52.13 C +ATOM 1235 CG GLU A 161 8.932 5.445 -25.173 1.00 57.42 C +ATOM 1236 CD GLU A 161 9.304 5.744 -26.624 1.00 62.65 C +ATOM 1237 OE1 GLU A 161 8.419 6.173 -27.403 1.00 59.89 O +ATOM 1238 OE2 GLU A 161 10.484 5.536 -26.988 1.00 67.44 O +ATOM 1239 N GLU A 162 9.612 6.989 -21.418 1.00 56.65 N +ATOM 1240 CA GLU A 162 10.659 6.758 -20.410 1.00 61.60 C +ATOM 1241 C GLU A 162 10.104 6.027 -19.182 1.00 57.19 C +ATOM 1242 O GLU A 162 10.739 5.128 -18.631 1.00 52.73 O +ATOM 1243 CB GLU A 162 11.269 8.094 -19.971 1.00 76.57 C +ATOM 1244 CG GLU A 162 12.210 8.006 -18.762 1.00 94.66 C +ATOM 1245 CD GLU A 162 11.938 9.091 -17.718 1.00103.92 C +ATOM 1246 OE1 GLU A 162 11.062 8.874 -16.841 1.00107.28 O +ATOM 1247 OE2 GLU A 162 12.598 10.157 -17.783 1.00105.49 O +ATOM 1248 N THR A 163 8.924 6.446 -18.747 1.00 53.10 N +ATOM 1249 CA THR A 163 8.260 5.844 -17.612 1.00 45.61 C +ATOM 1250 C THR A 163 7.837 4.416 -17.961 1.00 43.86 C +ATOM 1251 O THR A 163 8.109 3.485 -17.202 1.00 49.77 O +ATOM 1252 CB THR A 163 7.045 6.688 -17.227 1.00 42.30 C +ATOM 1253 OG1 THR A 163 7.485 8.028 -16.966 1.00 56.35 O +ATOM 1254 CG2 THR A 163 6.362 6.138 -15.994 1.00 42.32 C +ATOM 1255 N VAL A 164 7.248 4.229 -19.142 1.00 45.16 N +ATOM 1256 CA VAL A 164 6.785 2.908 -19.578 1.00 42.57 C +ATOM 1257 C VAL A 164 7.927 1.908 -19.662 1.00 42.37 C +ATOM 1258 O VAL A 164 7.876 0.853 -19.029 1.00 46.62 O +ATOM 1259 CB VAL A 164 6.044 2.970 -20.940 1.00 39.26 C +ATOM 1260 CG1 VAL A 164 5.581 1.579 -21.380 1.00 31.15 C +ATOM 1261 CG2 VAL A 164 4.849 3.876 -20.825 1.00 40.37 C +ATOM 1262 N ARG A 165 8.968 2.244 -20.412 1.00 42.05 N +ATOM 1263 CA ARG A 165 10.107 1.349 -20.547 1.00 41.03 C +ATOM 1264 C ARG A 165 10.772 0.989 -19.219 1.00 39.66 C +ATOM 1265 O ARG A 165 11.308 -0.107 -19.067 1.00 40.41 O +ATOM 1266 CB ARG A 165 11.116 1.922 -21.526 1.00 38.91 C +ATOM 1267 CG ARG A 165 10.627 1.835 -22.941 1.00 42.08 C +ATOM 1268 CD ARG A 165 11.782 1.568 -23.884 1.00 39.76 C +ATOM 1269 NE ARG A 165 11.329 1.024 -25.161 1.00 34.92 N +ATOM 1270 CZ ARG A 165 11.159 1.750 -26.254 1.00 37.62 C +ATOM 1271 NH1 ARG A 165 11.400 3.053 -26.222 1.00 38.33 N +ATOM 1272 NH2 ARG A 165 10.743 1.176 -27.375 1.00 38.32 N +ATOM 1273 N LYS A 166 10.713 1.897 -18.254 1.00 41.07 N +ATOM 1274 CA LYS A 166 11.286 1.660 -16.939 1.00 41.02 C +ATOM 1275 C LYS A 166 10.416 0.669 -16.173 1.00 42.50 C +ATOM 1276 O LYS A 166 10.929 -0.251 -15.541 1.00 49.13 O +ATOM 1277 CB LYS A 166 11.363 2.960 -16.175 1.00 45.97 C +ATOM 1278 CG LYS A 166 12.762 3.402 -15.823 1.00 58.06 C +ATOM 1279 CD LYS A 166 12.730 4.887 -15.465 1.00 75.62 C +ATOM 1280 CE LYS A 166 11.525 5.236 -14.565 1.00 81.46 C +ATOM 1281 NZ LYS A 166 11.145 6.686 -14.614 1.00 82.97 N +ATOM 1282 N ARG A 167 9.102 0.850 -16.222 1.00 37.15 N +ATOM 1283 CA ARG A 167 8.203 -0.073 -15.550 1.00 33.34 C +ATOM 1284 C ARG A 167 8.415 -1.506 -16.038 1.00 35.11 C +ATOM 1285 O ARG A 167 8.424 -2.453 -15.250 1.00 35.31 O +ATOM 1286 CB ARG A 167 6.756 0.311 -15.816 1.00 36.37 C +ATOM 1287 CG ARG A 167 6.224 1.402 -14.924 1.00 47.62 C +ATOM 1288 CD ARG A 167 4.714 1.223 -14.705 0.50 40.10 C +ATOM 1289 NE ARG A 167 3.942 1.425 -15.930 0.50 36.62 N +ATOM 1290 CZ ARG A 167 3.354 2.570 -16.262 0.50 32.82 C +ATOM 1291 NH1 ARG A 167 3.426 3.616 -15.451 0.50 30.64 N +ATOM 1292 NH2 ARG A 167 2.680 2.665 -17.399 0.50 28.43 N +ATOM 1293 N LEU A 168 8.580 -1.666 -17.346 1.00 30.18 N +ATOM 1294 CA LEU A 168 8.761 -2.980 -17.910 1.00 19.48 C +ATOM 1295 C LEU A 168 10.058 -3.650 -17.537 1.00 26.22 C +ATOM 1296 O LEU A 168 10.068 -4.863 -17.316 1.00 31.40 O +ATOM 1297 CB LEU A 168 8.581 -2.950 -19.418 1.00 28.05 C +ATOM 1298 CG LEU A 168 7.159 -2.716 -19.963 1.00 26.51 C +ATOM 1299 CD1 LEU A 168 7.237 -2.459 -21.484 1.00 18.84 C +ATOM 1300 CD2 LEU A 168 6.250 -3.896 -19.640 1.00 17.30 C +ATOM 1301 N VAL A 169 11.160 -2.902 -17.471 1.00 30.12 N +ATOM 1302 CA VAL A 169 12.440 -3.514 -17.081 1.00 34.38 C +ATOM 1303 C VAL A 169 12.330 -3.986 -15.633 1.00 30.67 C +ATOM 1304 O VAL A 169 12.645 -5.136 -15.294 1.00 34.34 O +ATOM 1305 CB VAL A 169 13.660 -2.544 -17.217 1.00 38.59 C +ATOM 1306 CG1 VAL A 169 13.444 -1.276 -16.418 1.00 47.87 C +ATOM 1307 CG2 VAL A 169 14.931 -3.228 -16.720 1.00 40.23 C +ATOM 1308 N GLU A 170 11.778 -3.101 -14.821 1.00 27.62 N +ATOM 1309 CA GLU A 170 11.557 -3.317 -13.412 1.00 33.11 C +ATOM 1310 C GLU A 170 10.740 -4.608 -13.205 1.00 36.64 C +ATOM 1311 O GLU A 170 11.029 -5.427 -12.309 1.00 32.52 O +ATOM 1312 CB GLU A 170 10.803 -2.096 -12.896 1.00 40.65 C +ATOM 1313 CG GLU A 170 11.109 -1.692 -11.482 1.00 66.55 C +ATOM 1314 CD GLU A 170 9.993 -2.063 -10.530 1.00 79.43 C +ATOM 1315 OE1 GLU A 170 8.811 -1.821 -10.882 1.00 83.97 O +ATOM 1316 OE2 GLU A 170 10.300 -2.589 -9.432 1.00 87.92 O +ATOM 1317 N TYR A 171 9.730 -4.774 -14.059 1.00 31.71 N +ATOM 1318 CA TYR A 171 8.844 -5.924 -14.041 1.00 25.48 C +ATOM 1319 C TYR A 171 9.596 -7.193 -14.407 1.00 24.25 C +ATOM 1320 O TYR A 171 9.454 -8.228 -13.759 1.00 24.45 O +ATOM 1321 CB TYR A 171 7.682 -5.701 -15.020 1.00 21.15 C +ATOM 1322 CG TYR A 171 6.841 -6.934 -15.244 1.00 16.97 C +ATOM 1323 CD1 TYR A 171 5.899 -7.334 -14.310 1.00 10.61 C +ATOM 1324 CD2 TYR A 171 7.044 -7.741 -16.362 1.00 18.51 C +ATOM 1325 CE1 TYR A 171 5.178 -8.524 -14.477 1.00 9.96 C +ATOM 1326 CE2 TYR A 171 6.334 -8.928 -16.539 1.00 18.14 C +ATOM 1327 CZ TYR A 171 5.402 -9.319 -15.585 1.00 14.05 C +ATOM 1328 OH TYR A 171 4.718 -10.515 -15.765 1.00 21.94 O +ATOM 1329 N HIS A 172 10.408 -7.114 -15.443 1.00 26.80 N +ATOM 1330 CA HIS A 172 11.163 -8.267 -15.892 1.00 29.68 C +ATOM 1331 C HIS A 172 12.279 -8.753 -14.993 1.00 35.02 C +ATOM 1332 O HIS A 172 12.481 -9.965 -14.879 1.00 40.50 O +ATOM 1333 CB HIS A 172 11.699 -8.024 -17.280 1.00 31.62 C +ATOM 1334 CG HIS A 172 10.654 -8.125 -18.327 1.00 26.16 C +ATOM 1335 ND1 HIS A 172 10.048 -9.317 -18.643 1.00 34.12 N +ATOM 1336 CD2 HIS A 172 10.070 -7.185 -19.101 1.00 28.50 C +ATOM 1337 CE1 HIS A 172 9.130 -9.111 -19.567 1.00 34.74 C +ATOM 1338 NE2 HIS A 172 9.123 -7.824 -19.862 1.00 37.14 N +ATOM 1339 N GLN A 173 13.039 -7.846 -14.388 1.00 30.59 N +ATOM 1340 CA GLN A 173 14.107 -8.297 -13.497 1.00 40.71 C +ATOM 1341 C GLN A 173 13.486 -9.025 -12.283 1.00 40.44 C +ATOM 1342 O GLN A 173 14.040 -9.988 -11.748 1.00 38.67 O +ATOM 1343 CB GLN A 173 14.976 -7.115 -13.027 1.00 48.00 C +ATOM 1344 CG GLN A 173 14.244 -6.092 -12.144 1.00 64.89 C +ATOM 1345 CD GLN A 173 15.124 -4.923 -11.667 1.00 72.38 C +ATOM 1346 OE1 GLN A 173 15.010 -4.478 -10.521 1.00 78.40 O +ATOM 1347 NE2 GLN A 173 15.974 -4.405 -12.553 1.00 72.99 N +ATOM 1348 N MET A 174 12.297 -8.574 -11.899 1.00 39.83 N +ATOM 1349 CA MET A 174 11.551 -9.104 -10.763 1.00 32.91 C +ATOM 1350 C MET A 174 10.787 -10.413 -11.040 1.00 28.94 C +ATOM 1351 O MET A 174 10.794 -11.339 -10.214 1.00 32.13 O +ATOM 1352 CB MET A 174 10.615 -7.989 -10.278 1.00 34.76 C +ATOM 1353 CG MET A 174 9.726 -8.299 -9.116 1.00 37.22 C +ATOM 1354 SD MET A 174 8.965 -6.754 -8.564 1.00 49.44 S +ATOM 1355 CE MET A 174 7.217 -7.003 -9.038 1.00 51.40 C +ATOM 1356 N THR A 175 10.222 -10.534 -12.236 1.00 22.86 N +ATOM 1357 CA THR A 175 9.443 -11.711 -12.583 1.00 24.41 C +ATOM 1358 C THR A 175 10.161 -12.826 -13.306 1.00 27.35 C +ATOM 1359 O THR A 175 9.667 -13.953 -13.349 1.00 35.60 O +ATOM 1360 CB THR A 175 8.207 -11.311 -13.381 1.00 26.02 C +ATOM 1361 OG1 THR A 175 7.661 -10.127 -12.795 1.00 32.09 O +ATOM 1362 CG2 THR A 175 7.150 -12.384 -13.304 1.00 30.61 C +ATOM 1363 N ALA A 176 11.338 -12.545 -13.846 1.00 25.05 N +ATOM 1364 CA ALA A 176 12.084 -13.570 -14.552 1.00 19.20 C +ATOM 1365 C ALA A 176 12.313 -14.845 -13.702 1.00 13.72 C +ATOM 1366 O ALA A 176 12.000 -15.947 -14.153 1.00 22.42 O +ATOM 1367 CB ALA A 176 13.418 -12.986 -15.088 1.00 22.74 C +ATOM 1368 N PRO A 177 12.846 -14.719 -12.464 1.00 13.42 N +ATOM 1369 CA PRO A 177 13.053 -15.945 -11.666 1.00 15.43 C +ATOM 1370 C PRO A 177 11.775 -16.617 -11.131 1.00 22.52 C +ATOM 1371 O PRO A 177 11.775 -17.815 -10.822 1.00 24.14 O +ATOM 1372 CB PRO A 177 14.004 -15.491 -10.558 1.00 8.15 C +ATOM 1373 CG PRO A 177 13.695 -14.049 -10.391 1.00 10.88 C +ATOM 1374 CD PRO A 177 13.467 -13.552 -11.806 1.00 12.44 C +ATOM 1375 N LEU A 178 10.673 -15.866 -11.078 1.00 21.65 N +ATOM 1376 CA LEU A 178 9.391 -16.417 -10.632 1.00 19.93 C +ATOM 1377 C LEU A 178 8.831 -17.330 -11.709 1.00 22.37 C +ATOM 1378 O LEU A 178 8.277 -18.396 -11.431 1.00 23.08 O +ATOM 1379 CB LEU A 178 8.411 -15.296 -10.359 1.00 18.43 C +ATOM 1380 CG LEU A 178 7.060 -15.800 -9.896 1.00 19.75 C +ATOM 1381 CD1 LEU A 178 7.172 -16.639 -8.624 1.00 22.58 C +ATOM 1382 CD2 LEU A 178 6.235 -14.588 -9.666 1.00 14.04 C +ATOM 1383 N ILE A 179 8.984 -16.896 -12.956 1.00 24.71 N +ATOM 1384 CA ILE A 179 8.528 -17.683 -14.088 1.00 20.66 C +ATOM 1385 C ILE A 179 9.331 -18.968 -14.057 1.00 20.77 C +ATOM 1386 O ILE A 179 8.780 -20.063 -14.239 1.00 27.25 O +ATOM 1387 CB ILE A 179 8.829 -16.967 -15.412 1.00 21.99 C +ATOM 1388 CG1 ILE A 179 8.162 -15.606 -15.425 1.00 18.67 C +ATOM 1389 CG2 ILE A 179 8.358 -17.813 -16.597 1.00 26.91 C +ATOM 1390 CD1 ILE A 179 6.682 -15.685 -15.175 1.00 30.82 C +ATOM 1391 N GLY A 180 10.642 -18.816 -13.821 1.00 19.56 N +ATOM 1392 CA GLY A 180 11.552 -19.954 -13.763 1.00 12.72 C +ATOM 1393 C GLY A 180 11.206 -20.871 -12.608 1.00 15.18 C +ATOM 1394 O GLY A 180 11.333 -22.087 -12.694 1.00 18.45 O +ATOM 1395 N TYR A 181 10.783 -20.269 -11.508 1.00 15.65 N +ATOM 1396 CA TYR A 181 10.377 -21.026 -10.344 1.00 21.40 C +ATOM 1397 C TYR A 181 9.166 -21.869 -10.735 1.00 19.08 C +ATOM 1398 O TYR A 181 9.143 -23.083 -10.507 1.00 22.92 O +ATOM 1399 CB TYR A 181 9.987 -20.064 -9.223 1.00 19.07 C +ATOM 1400 CG TYR A 181 9.349 -20.732 -8.031 1.00 24.87 C +ATOM 1401 CD1 TYR A 181 7.959 -20.921 -7.959 1.00 17.91 C +ATOM 1402 CD2 TYR A 181 10.129 -21.166 -6.970 1.00 23.91 C +ATOM 1403 CE1 TYR A 181 7.375 -21.522 -6.866 1.00 18.29 C +ATOM 1404 CE2 TYR A 181 9.551 -21.769 -5.857 1.00 33.13 C +ATOM 1405 CZ TYR A 181 8.176 -21.940 -5.809 1.00 28.91 C +ATOM 1406 OH TYR A 181 7.622 -22.490 -4.674 1.00 34.28 O +ATOM 1407 N TYR A 182 8.155 -21.225 -11.315 1.00 18.26 N +ATOM 1408 CA TYR A 182 6.949 -21.944 -11.714 1.00 18.21 C +ATOM 1409 C TYR A 182 7.150 -22.997 -12.796 1.00 22.06 C +ATOM 1410 O TYR A 182 6.345 -23.922 -12.888 1.00 27.28 O +ATOM 1411 CB TYR A 182 5.824 -20.986 -12.068 1.00 14.19 C +ATOM 1412 CG TYR A 182 5.107 -20.480 -10.837 1.00 17.66 C +ATOM 1413 CD1 TYR A 182 4.612 -21.371 -9.878 1.00 18.21 C +ATOM 1414 CD2 TYR A 182 4.969 -19.118 -10.594 1.00 13.09 C +ATOM 1415 CE1 TYR A 182 4.006 -20.914 -8.681 1.00 12.16 C +ATOM 1416 CE2 TYR A 182 4.351 -18.653 -9.412 1.00 11.61 C +ATOM 1417 CZ TYR A 182 3.882 -19.560 -8.457 1.00 12.22 C +ATOM 1418 OH TYR A 182 3.327 -19.091 -7.272 1.00 21.08 O +ATOM 1419 N SER A 183 8.181 -22.869 -13.634 1.00 22.92 N +ATOM 1420 CA SER A 183 8.422 -23.921 -14.632 1.00 26.68 C +ATOM 1421 C SER A 183 9.023 -25.129 -13.935 1.00 29.10 C +ATOM 1422 O SER A 183 8.674 -26.256 -14.256 1.00 34.81 O +ATOM 1423 CB SER A 183 9.371 -23.483 -15.731 1.00 23.95 C +ATOM 1424 OG SER A 183 8.820 -22.409 -16.435 1.00 37.60 O +ATOM 1425 N LYS A 184 9.929 -24.904 -12.983 1.00 36.67 N +ATOM 1426 CA LYS A 184 10.539 -26.020 -12.265 1.00 34.50 C +ATOM 1427 C LYS A 184 9.471 -26.752 -11.498 1.00 25.15 C +ATOM 1428 O LYS A 184 9.492 -27.972 -11.410 1.00 29.47 O +ATOM 1429 CB LYS A 184 11.670 -25.571 -11.333 1.00 39.16 C +ATOM 1430 CG LYS A 184 13.077 -25.875 -11.894 1.00 53.60 C +ATOM 1431 CD LYS A 184 14.184 -25.736 -10.832 1.00 59.66 C +ATOM 1432 CE LYS A 184 15.580 -25.908 -11.438 1.00 62.49 C +ATOM 1433 NZ LYS A 184 16.680 -25.564 -10.478 1.00 57.64 N +ATOM 1434 N GLU A 185 8.512 -26.003 -10.971 1.00 28.89 N +ATOM 1435 CA GLU A 185 7.403 -26.586 -10.232 1.00 25.77 C +ATOM 1436 C GLU A 185 6.535 -27.397 -11.195 1.00 26.79 C +ATOM 1437 O GLU A 185 6.105 -28.507 -10.884 1.00 31.32 O +ATOM 1438 CB GLU A 185 6.573 -25.477 -9.604 1.00 25.81 C +ATOM 1439 CG GLU A 185 7.184 -24.895 -8.376 1.00 22.97 C +ATOM 1440 CD GLU A 185 7.262 -25.919 -7.282 1.00 29.00 C +ATOM 1441 OE1 GLU A 185 6.221 -26.523 -6.951 1.00 30.95 O +ATOM 1442 OE2 GLU A 185 8.369 -26.154 -6.773 1.00 39.73 O +ATOM 1443 N ALA A 186 6.287 -26.835 -12.370 1.00 28.67 N +ATOM 1444 CA ALA A 186 5.477 -27.492 -13.386 1.00 26.52 C +ATOM 1445 C ALA A 186 6.102 -28.820 -13.764 1.00 30.40 C +ATOM 1446 O ALA A 186 5.403 -29.829 -13.834 1.00 29.92 O +ATOM 1447 CB ALA A 186 5.340 -26.594 -14.601 1.00 27.90 C +ATOM 1448 N GLU A 187 7.422 -28.812 -13.986 1.00 35.13 N +ATOM 1449 CA GLU A 187 8.198 -30.014 -14.339 1.00 36.85 C +ATOM 1450 C GLU A 187 8.194 -31.002 -13.170 1.00 34.57 C +ATOM 1451 O GLU A 187 8.260 -32.205 -13.365 1.00 36.32 O +ATOM 1452 CB GLU A 187 9.650 -29.655 -14.735 1.00 42.18 C +ATOM 1453 CG GLU A 187 9.822 -29.039 -16.160 1.00 63.33 C +ATOM 1454 CD GLU A 187 11.211 -28.379 -16.427 1.00 71.47 C +ATOM 1455 OE1 GLU A 187 12.247 -28.905 -15.950 1.00 70.70 O +ATOM 1456 OE2 GLU A 187 11.259 -27.333 -17.133 1.00 70.52 O +ATOM 1457 N ALA A 188 8.083 -30.486 -11.956 1.00 31.66 N +ATOM 1458 CA ALA A 188 8.038 -31.325 -10.781 1.00 31.05 C +ATOM 1459 C ALA A 188 6.648 -31.925 -10.633 1.00 37.92 C +ATOM 1460 O ALA A 188 6.425 -32.775 -9.778 1.00 42.09 O +ATOM 1461 CB ALA A 188 8.382 -30.511 -9.551 1.00 40.95 C +ATOM 1462 N GLY A 189 5.704 -31.450 -11.440 1.00 43.82 N +ATOM 1463 CA GLY A 189 4.339 -31.962 -11.390 1.00 39.84 C +ATOM 1464 C GLY A 189 3.459 -31.333 -10.324 1.00 40.67 C +ATOM 1465 O GLY A 189 2.335 -31.786 -10.089 1.00 40.03 O +ATOM 1466 N ASN A 190 3.949 -30.254 -9.715 1.00 45.25 N +ATOM 1467 CA ASN A 190 3.218 -29.550 -8.655 1.00 48.03 C +ATOM 1468 C ASN A 190 2.159 -28.546 -9.137 1.00 45.98 C +ATOM 1469 O ASN A 190 1.306 -28.099 -8.354 1.00 49.43 O +ATOM 1470 CB ASN A 190 4.202 -28.836 -7.710 1.00 51.97 C +ATOM 1471 CG ASN A 190 4.907 -29.791 -6.746 1.00 54.12 C +ATOM 1472 OD1 ASN A 190 4.269 -30.606 -6.073 1.00 50.36 O +ATOM 1473 ND2 ASN A 190 6.230 -29.675 -6.666 1.00 57.10 N +ATOM 1474 N THR A 191 2.214 -28.193 -10.417 1.00 38.13 N +ATOM 1475 CA THR A 191 1.293 -27.230 -10.992 1.00 23.04 C +ATOM 1476 C THR A 191 1.523 -27.295 -12.481 1.00 24.67 C +ATOM 1477 O THR A 191 2.388 -28.052 -12.939 1.00 29.73 O +ATOM 1478 CB THR A 191 1.601 -25.817 -10.464 1.00 20.36 C +ATOM 1479 OG1 THR A 191 0.610 -24.893 -10.917 1.00 23.68 O +ATOM 1480 CG2 THR A 191 2.976 -25.353 -10.913 1.00 27.08 C +ATOM 1481 N LYS A 192 0.695 -26.594 -13.248 1.00 25.19 N +ATOM 1482 CA LYS A 192 0.851 -26.553 -14.706 1.00 29.57 C +ATOM 1483 C LYS A 192 1.141 -25.109 -15.085 1.00 24.06 C +ATOM 1484 O LYS A 192 0.479 -24.195 -14.619 1.00 33.84 O +ATOM 1485 CB LYS A 192 -0.409 -27.041 -15.444 1.00 39.79 C +ATOM 1486 CG LYS A 192 -0.716 -28.532 -15.305 1.00 58.09 C +ATOM 1487 CD LYS A 192 -1.678 -28.843 -14.134 1.00 80.93 C +ATOM 1488 CE LYS A 192 -3.153 -28.883 -14.580 1.00 86.10 C +ATOM 1489 NZ LYS A 192 -4.138 -29.125 -13.471 1.00 87.44 N +ATOM 1490 N TYR A 193 2.153 -24.894 -15.900 1.00 26.11 N +ATOM 1491 CA TYR A 193 2.499 -23.551 -16.307 1.00 23.00 C +ATOM 1492 C TYR A 193 2.250 -23.437 -17.807 1.00 24.47 C +ATOM 1493 O TYR A 193 2.465 -24.400 -18.535 1.00 27.90 O +ATOM 1494 CB TYR A 193 3.971 -23.290 -15.951 1.00 20.40 C +ATOM 1495 CG TYR A 193 4.549 -22.097 -16.641 1.00 15.61 C +ATOM 1496 CD1 TYR A 193 4.256 -20.799 -16.230 1.00 14.33 C +ATOM 1497 CD2 TYR A 193 5.327 -22.266 -17.772 1.00 26.90 C +ATOM 1498 CE1 TYR A 193 4.729 -19.697 -16.959 1.00 15.21 C +ATOM 1499 CE2 TYR A 193 5.796 -21.187 -18.490 1.00 22.16 C +ATOM 1500 CZ TYR A 193 5.500 -19.915 -18.091 1.00 21.66 C +ATOM 1501 OH TYR A 193 5.993 -18.892 -18.874 1.00 30.60 O +ATOM 1502 N ALA A 194 1.763 -22.298 -18.278 1.00 20.69 N +ATOM 1503 CA ALA A 194 1.534 -22.156 -19.717 1.00 23.80 C +ATOM 1504 C ALA A 194 1.722 -20.723 -20.148 1.00 17.05 C +ATOM 1505 O ALA A 194 1.369 -19.819 -19.411 1.00 22.29 O +ATOM 1506 CB ALA A 194 0.134 -22.651 -20.103 1.00 26.70 C +ATOM 1507 N LYS A 195 2.332 -20.517 -21.309 1.00 24.56 N +ATOM 1508 CA LYS A 195 2.555 -19.171 -21.832 1.00 26.59 C +ATOM 1509 C LYS A 195 1.497 -18.899 -22.896 1.00 29.31 C +ATOM 1510 O LYS A 195 1.286 -19.711 -23.792 1.00 33.69 O +ATOM 1511 CB LYS A 195 3.954 -19.047 -22.427 1.00 35.58 C +ATOM 1512 CG LYS A 195 4.236 -17.687 -23.059 1.00 44.75 C +ATOM 1513 CD LYS A 195 5.502 -17.017 -22.510 1.00 51.77 C +ATOM 1514 CE LYS A 195 6.779 -17.815 -22.769 1.00 57.49 C +ATOM 1515 NZ LYS A 195 7.039 -18.869 -21.736 1.00 65.45 N +ATOM 1516 N VAL A 196 0.880 -17.730 -22.825 1.00 27.35 N +ATOM 1517 CA VAL A 196 -0.205 -17.357 -23.721 1.00 25.49 C +ATOM 1518 C VAL A 196 0.193 -16.182 -24.590 1.00 23.26 C +ATOM 1519 O VAL A 196 0.638 -15.158 -24.084 1.00 28.62 O +ATOM 1520 CB VAL A 196 -1.473 -16.997 -22.864 1.00 27.39 C +ATOM 1521 CG1 VAL A 196 -2.439 -16.129 -23.616 1.00 22.64 C +ATOM 1522 CG2 VAL A 196 -2.169 -18.258 -22.399 1.00 32.05 C +ATOM 1523 N ASP A 197 0.050 -16.323 -25.902 1.00 28.15 N +ATOM 1524 CA ASP A 197 0.406 -15.231 -26.795 1.00 23.25 C +ATOM 1525 C ASP A 197 -0.721 -14.227 -26.707 1.00 16.79 C +ATOM 1526 O ASP A 197 -1.811 -14.478 -27.173 1.00 20.36 O +ATOM 1527 CB ASP A 197 0.589 -15.738 -28.238 1.00 32.87 C +ATOM 1528 CG ASP A 197 1.167 -14.664 -29.194 1.00 35.14 C +ATOM 1529 OD1 ASP A 197 1.892 -13.746 -28.748 1.00 46.33 O +ATOM 1530 OD2 ASP A 197 0.918 -14.759 -30.414 1.00 43.69 O +ATOM 1531 N GLY A 198 -0.470 -13.123 -26.032 1.00 19.21 N +ATOM 1532 CA GLY A 198 -1.480 -12.100 -25.886 1.00 19.89 C +ATOM 1533 C GLY A 198 -1.593 -11.200 -27.092 1.00 27.39 C +ATOM 1534 O GLY A 198 -2.343 -10.226 -27.081 1.00 30.38 O +ATOM 1535 N THR A 199 -0.829 -11.508 -28.132 1.00 31.47 N +ATOM 1536 CA THR A 199 -0.846 -10.720 -29.359 1.00 32.37 C +ATOM 1537 C THR A 199 -1.840 -11.289 -30.387 1.00 33.29 C +ATOM 1538 O THR A 199 -1.817 -10.909 -31.552 1.00 43.40 O +ATOM 1539 CB THR A 199 0.549 -10.692 -29.997 1.00 28.38 C +ATOM 1540 OG1 THR A 199 0.870 -12.007 -30.465 1.00 22.59 O +ATOM 1541 CG2 THR A 199 1.604 -10.245 -28.984 1.00 25.36 C +ATOM 1542 N LYS A 200 -2.643 -12.267 -29.980 1.00 29.14 N +ATOM 1543 CA LYS A 200 -3.634 -12.872 -30.862 1.00 30.97 C +ATOM 1544 C LYS A 200 -5.009 -12.275 -30.638 1.00 34.73 C +ATOM 1545 O LYS A 200 -5.259 -11.603 -29.638 1.00 31.37 O +ATOM 1546 CB LYS A 200 -3.787 -14.349 -30.581 1.00 15.22 C +ATOM 1547 CG LYS A 200 -2.723 -15.192 -31.107 1.00 20.06 C +ATOM 1548 CD LYS A 200 -3.154 -16.584 -30.830 1.00 20.76 C +ATOM 1549 CE LYS A 200 -2.137 -17.571 -31.279 1.00 30.61 C +ATOM 1550 NZ LYS A 200 -2.719 -18.925 -31.120 1.00 43.04 N +ATOM 1551 N PRO A 201 -5.927 -12.510 -31.583 1.00 41.64 N +ATOM 1552 CA PRO A 201 -7.282 -11.980 -31.421 1.00 42.16 C +ATOM 1553 C PRO A 201 -7.880 -12.539 -30.140 1.00 33.66 C +ATOM 1554 O PRO A 201 -7.697 -13.717 -29.834 1.00 32.12 O +ATOM 1555 CB PRO A 201 -8.020 -12.519 -32.666 1.00 52.95 C +ATOM 1556 CG PRO A 201 -7.125 -13.652 -33.193 1.00 52.65 C +ATOM 1557 CD PRO A 201 -5.748 -13.106 -32.921 1.00 44.40 C +ATOM 1558 N VAL A 202 -8.595 -11.693 -29.408 1.00 29.89 N +ATOM 1559 CA VAL A 202 -9.230 -12.083 -28.161 1.00 29.64 C +ATOM 1560 C VAL A 202 -9.951 -13.414 -28.312 1.00 30.93 C +ATOM 1561 O VAL A 202 -9.889 -14.273 -27.425 1.00 24.39 O +ATOM 1562 CB VAL A 202 -10.178 -10.968 -27.676 1.00 32.20 C +ATOM 1563 CG1 VAL A 202 -11.088 -11.455 -26.561 1.00 34.01 C +ATOM 1564 CG2 VAL A 202 -9.355 -9.795 -27.187 1.00 30.52 C +ATOM 1565 N ALA A 203 -10.559 -13.615 -29.481 1.00 33.40 N +ATOM 1566 CA ALA A 203 -11.280 -14.851 -29.764 1.00 29.69 C +ATOM 1567 C ALA A 203 -10.326 -16.021 -29.938 1.00 33.81 C +ATOM 1568 O ALA A 203 -10.704 -17.180 -29.718 1.00 31.21 O +ATOM 1569 CB ALA A 203 -12.142 -14.695 -30.989 1.00 28.43 C +ATOM 1570 N GLU A 204 -9.104 -15.747 -30.382 1.00 32.92 N +ATOM 1571 CA GLU A 204 -8.168 -16.841 -30.534 1.00 33.15 C +ATOM 1572 C GLU A 204 -7.574 -17.170 -29.191 1.00 32.48 C +ATOM 1573 O GLU A 204 -7.516 -18.337 -28.821 1.00 41.01 O +ATOM 1574 CB GLU A 204 -7.083 -16.538 -31.546 1.00 36.60 C +ATOM 1575 CG GLU A 204 -6.488 -17.813 -32.114 1.00 41.38 C +ATOM 1576 CD GLU A 204 -5.650 -17.576 -33.349 1.00 48.51 C +ATOM 1577 OE1 GLU A 204 -5.881 -16.568 -34.057 1.00 53.83 O +ATOM 1578 OE2 GLU A 204 -4.760 -18.410 -33.614 1.00 56.13 O +ATOM 1579 N VAL A 205 -7.209 -16.145 -28.422 1.00 30.87 N +ATOM 1580 CA VAL A 205 -6.640 -16.359 -27.091 1.00 26.38 C +ATOM 1581 C VAL A 205 -7.611 -17.183 -26.242 1.00 27.71 C +ATOM 1582 O VAL A 205 -7.222 -18.163 -25.590 1.00 29.37 O +ATOM 1583 CB VAL A 205 -6.383 -15.045 -26.375 1.00 27.74 C +ATOM 1584 CG1 VAL A 205 -5.819 -15.325 -25.006 1.00 28.54 C +ATOM 1585 CG2 VAL A 205 -5.426 -14.199 -27.162 1.00 16.10 C +ATOM 1586 N ARG A 206 -8.879 -16.781 -26.277 1.00 23.16 N +ATOM 1587 CA ARG A 206 -9.942 -17.465 -25.555 1.00 23.17 C +ATOM 1588 C ARG A 206 -9.970 -18.933 -25.990 1.00 30.66 C +ATOM 1589 O ARG A 206 -10.055 -19.841 -25.162 1.00 36.98 O +ATOM 1590 CB ARG A 206 -11.262 -16.770 -25.867 1.00 25.95 C +ATOM 1591 CG ARG A 206 -12.436 -17.210 -25.042 1.00 37.04 C +ATOM 1592 CD ARG A 206 -13.457 -17.938 -25.910 1.00 53.87 C +ATOM 1593 NE ARG A 206 -14.746 -17.254 -25.936 1.00 68.01 N +ATOM 1594 CZ ARG A 206 -15.876 -17.770 -25.457 1.00 75.18 C +ATOM 1595 NH1 ARG A 206 -15.887 -18.982 -24.907 1.00 73.48 N +ATOM 1596 NH2 ARG A 206 -17.003 -17.073 -25.525 1.00 78.87 N +ATOM 1597 N ALA A 207 -9.842 -19.171 -27.291 1.00 36.91 N +ATOM 1598 CA ALA A 207 -9.823 -20.528 -27.818 1.00 29.35 C +ATOM 1599 C ALA A 207 -8.654 -21.266 -27.209 1.00 26.83 C +ATOM 1600 O ALA A 207 -8.808 -22.385 -26.745 1.00 31.96 O +ATOM 1601 CB ALA A 207 -9.689 -20.504 -29.319 1.00 35.74 C +ATOM 1602 N ASP A 208 -7.484 -20.635 -27.197 1.00 32.05 N +ATOM 1603 CA ASP A 208 -6.301 -21.256 -26.621 1.00 32.80 C +ATOM 1604 C ASP A 208 -6.494 -21.609 -25.158 1.00 36.41 C +ATOM 1605 O ASP A 208 -6.120 -22.707 -24.734 1.00 37.78 O +ATOM 1606 CB ASP A 208 -5.092 -20.349 -26.742 1.00 37.45 C +ATOM 1607 CG ASP A 208 -4.490 -20.363 -28.115 1.00 40.62 C +ATOM 1608 OD1 ASP A 208 -4.740 -21.323 -28.885 1.00 51.35 O +ATOM 1609 OD2 ASP A 208 -3.748 -19.405 -28.413 1.00 42.58 O +ATOM 1610 N LEU A 209 -7.072 -20.684 -24.388 1.00 30.14 N +ATOM 1611 CA LEU A 209 -7.317 -20.913 -22.976 1.00 25.92 C +ATOM 1612 C LEU A 209 -8.151 -22.142 -22.677 1.00 32.60 C +ATOM 1613 O LEU A 209 -7.921 -22.841 -21.692 1.00 38.97 O +ATOM 1614 CB LEU A 209 -7.956 -19.694 -22.360 1.00 20.57 C +ATOM 1615 CG LEU A 209 -6.861 -18.672 -22.147 1.00 20.93 C +ATOM 1616 CD1 LEU A 209 -7.387 -17.573 -21.284 1.00 21.58 C +ATOM 1617 CD2 LEU A 209 -5.667 -19.347 -21.476 1.00 21.62 C +ATOM 1618 N GLU A 210 -9.137 -22.409 -23.514 1.00 39.91 N +ATOM 1619 CA GLU A 210 -9.965 -23.575 -23.311 1.00 38.01 C +ATOM 1620 C GLU A 210 -9.170 -24.847 -23.565 1.00 41.28 C +ATOM 1621 O GLU A 210 -9.384 -25.856 -22.906 1.00 46.63 O +ATOM 1622 CB GLU A 210 -11.183 -23.516 -24.212 1.00 41.76 C +ATOM 1623 CG GLU A 210 -12.162 -22.441 -23.801 1.00 52.63 C +ATOM 1624 CD GLU A 210 -13.543 -22.640 -24.397 1.00 58.45 C +ATOM 1625 OE1 GLU A 210 -14.293 -23.514 -23.896 1.00 53.83 O +ATOM 1626 OE2 GLU A 210 -13.878 -21.912 -25.358 1.00 63.79 O +ATOM 1627 N LYS A 211 -8.238 -24.798 -24.508 1.00 42.39 N +ATOM 1628 CA LYS A 211 -7.420 -25.965 -24.825 1.00 45.95 C +ATOM 1629 C LYS A 211 -6.303 -26.183 -23.794 1.00 47.91 C +ATOM 1630 O LYS A 211 -5.577 -27.170 -23.848 1.00 51.78 O +ATOM 1631 CB LYS A 211 -6.827 -25.833 -26.234 1.00 54.80 C +ATOM 1632 CG LYS A 211 -7.816 -26.118 -27.383 1.00 66.24 C +ATOM 1633 CD LYS A 211 -7.782 -25.043 -28.497 1.00 75.93 C +ATOM 1634 CE LYS A 211 -6.390 -24.848 -29.128 1.00 77.63 C +ATOM 1635 NZ LYS A 211 -6.368 -23.696 -30.091 1.00 75.70 N +ATOM 1636 N ILE A 212 -6.152 -25.242 -22.872 1.00 49.73 N +ATOM 1637 CA ILE A 212 -5.132 -25.335 -21.828 1.00 44.26 C +ATOM 1638 C ILE A 212 -5.769 -25.753 -20.508 1.00 43.63 C +ATOM 1639 O ILE A 212 -5.216 -26.572 -19.786 1.00 46.06 O +ATOM 1640 CB ILE A 212 -4.408 -23.956 -21.607 1.00 41.60 C +ATOM 1641 CG1 ILE A 212 -3.402 -23.675 -22.726 1.00 35.98 C +ATOM 1642 CG2 ILE A 212 -3.723 -23.905 -20.243 1.00 42.76 C +ATOM 1643 CD1 ILE A 212 -2.764 -22.311 -22.626 1.00 38.06 C +ATOM 1644 N LEU A 213 -6.961 -25.226 -20.239 1.00 44.75 N +ATOM 1645 CA LEU A 213 -7.671 -25.459 -18.988 1.00 44.35 C +ATOM 1646 C LEU A 213 -8.693 -26.586 -18.936 1.00 52.29 C +ATOM 1647 O LEU A 213 -8.768 -27.324 -17.940 1.00 47.46 O +ATOM 1648 CB LEU A 213 -8.354 -24.163 -18.570 1.00 30.95 C +ATOM 1649 CG LEU A 213 -7.367 -23.024 -18.484 1.00 26.56 C +ATOM 1650 CD1 LEU A 213 -8.074 -21.705 -18.338 1.00 28.13 C +ATOM 1651 CD2 LEU A 213 -6.431 -23.293 -17.346 1.00 22.13 C +ATOM 1652 N GLY A 214 -9.507 -26.685 -19.981 1.00 59.71 N +ATOM 1653 CA GLY A 214 -10.547 -27.696 -20.013 1.00 70.26 C +ATOM 1654 C GLY A 214 -11.696 -27.223 -19.131 1.00 78.29 C +ATOM 1655 O GLY A 214 -12.524 -26.410 -19.615 1.00 83.78 O +ATOM 1656 OXT GLY A 214 -11.742 -27.620 -17.940 1.00 79.24 O +TER 1657 GLY A 214 +END diff --git a/bench/main_benchmark/structures/SFB_AL_AKE_4AKEA_1AKEA/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_AKE_4AKEA_1AKEA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..16f31274d2e3272f7271446b961ca70d152ac5b0 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_AKE_4AKEA_1AKEA/state_b.pdb @@ -0,0 +1,1663 @@ +ATOM 1 N MET A 1 26.981 53.977 40.085 1.00 40.83 N +ATOM 2 CA MET A 1 26.091 52.849 39.889 1.00 37.14 C +ATOM 3 C MET A 1 26.679 52.163 38.675 1.00 30.15 C +ATOM 4 O MET A 1 27.020 52.865 37.715 1.00 27.59 O +ATOM 5 CB MET A 1 24.677 53.310 39.580 1.00 38.06 C +ATOM 6 CG MET A 1 23.624 52.189 39.442 1.00 46.67 C +ATOM 7 SD MET A 1 21.917 52.816 39.301 1.00 61.54 S +ATOM 8 CE MET A 1 21.930 53.926 37.910 1.00 51.17 C +ATOM 9 N ARG A 2 26.861 50.841 38.803 1.00 28.23 N +ATOM 10 CA ARG A 2 27.437 49.969 37.786 1.00 25.76 C +ATOM 11 C ARG A 2 26.336 48.959 37.429 1.00 25.85 C +ATOM 12 O ARG A 2 25.745 48.313 38.312 1.00 25.74 O +ATOM 13 CB ARG A 2 28.653 49.266 38.349 1.00 21.92 C +ATOM 14 CG ARG A 2 29.870 50.188 38.416 1.00 39.05 C +ATOM 15 CD ARG A 2 31.033 49.532 39.173 1.00 51.33 C +ATOM 16 NE ARG A 2 32.318 50.244 39.125 1.00 59.73 N +ATOM 17 CZ ARG A 2 33.462 49.750 39.679 1.00 58.78 C +ATOM 18 NH1 ARG A 2 33.522 48.572 40.308 1.00 58.56 N +ATOM 19 NH2 ARG A 2 34.610 50.427 39.597 1.00 59.20 N +ATOM 20 N ILE A 3 26.039 48.836 36.139 1.00 21.59 N +ATOM 21 CA ILE A 3 24.961 47.988 35.671 1.00 23.90 C +ATOM 22 C ILE A 3 25.374 47.080 34.537 1.00 21.12 C +ATOM 23 O ILE A 3 26.029 47.614 33.642 1.00 24.59 O +ATOM 24 CB ILE A 3 23.802 48.880 35.202 1.00 23.84 C +ATOM 25 CG1 ILE A 3 23.317 49.724 36.378 1.00 26.14 C +ATOM 26 CG2 ILE A 3 22.660 48.010 34.642 1.00 19.29 C +ATOM 27 CD1 ILE A 3 22.436 50.890 35.992 1.00 24.97 C +ATOM 28 N ILE A 4 25.062 45.774 34.541 1.00 20.44 N +ATOM 29 CA ILE A 4 25.194 44.925 33.360 1.00 17.83 C +ATOM 30 C ILE A 4 23.804 44.715 32.751 1.00 18.42 C +ATOM 31 O ILE A 4 22.824 44.536 33.484 1.00 16.35 O +ATOM 32 CB ILE A 4 25.789 43.561 33.720 1.00 16.64 C +ATOM 33 CG1 ILE A 4 27.206 43.753 34.233 1.00 17.27 C +ATOM 34 CG2 ILE A 4 25.829 42.650 32.463 1.00 21.39 C +ATOM 35 CD1 ILE A 4 27.967 42.486 34.621 1.00 15.61 C +ATOM 36 N LEU A 5 23.655 44.874 31.424 1.00 19.74 N +ATOM 37 CA LEU A 5 22.428 44.503 30.712 1.00 19.86 C +ATOM 38 C LEU A 5 22.668 43.134 30.012 1.00 18.50 C +ATOM 39 O LEU A 5 23.614 42.932 29.232 1.00 17.64 O +ATOM 40 CB LEU A 5 22.088 45.547 29.675 1.00 22.23 C +ATOM 41 CG LEU A 5 22.076 47.021 30.069 1.00 27.37 C +ATOM 42 CD1 LEU A 5 21.735 47.848 28.817 1.00 19.28 C +ATOM 43 CD2 LEU A 5 21.088 47.249 31.193 1.00 24.82 C +ATOM 44 N LEU A 6 21.787 42.178 30.248 1.00 14.28 N +ATOM 45 CA LEU A 6 21.933 40.811 29.752 1.00 21.75 C +ATOM 46 C LEU A 6 20.711 40.529 28.870 1.00 23.97 C +ATOM 47 O LEU A 6 19.602 40.977 29.220 1.00 19.19 O +ATOM 48 CB LEU A 6 21.919 39.891 30.945 1.00 27.49 C +ATOM 49 CG LEU A 6 22.847 38.789 31.103 1.00 31.51 C +ATOM 50 CD1 LEU A 6 24.254 39.345 31.210 1.00 34.32 C +ATOM 51 CD2 LEU A 6 22.465 38.042 32.355 1.00 24.54 C +ATOM 52 N GLY A 7 20.800 39.799 27.764 1.00 18.09 N +ATOM 53 CA GLY A 7 19.604 39.512 26.973 1.00 20.21 C +ATOM 54 C GLY A 7 19.959 39.035 25.585 1.00 14.48 C +ATOM 55 O GLY A 7 21.049 39.324 25.122 1.00 15.84 O +ATOM 56 N ALA A 8 19.117 38.232 24.936 1.00 19.71 N +ATOM 57 CA ALA A 8 19.324 37.742 23.567 1.00 16.92 C +ATOM 58 C ALA A 8 19.530 38.886 22.568 1.00 17.35 C +ATOM 59 O ALA A 8 19.158 40.013 22.889 1.00 15.41 O +ATOM 60 CB ALA A 8 18.092 36.960 23.169 1.00 15.12 C +ATOM 61 N PRO A 9 20.069 38.660 21.359 1.00 20.54 N +ATOM 62 CA PRO A 9 20.108 39.651 20.294 1.00 17.47 C +ATOM 63 C PRO A 9 18.750 40.300 20.095 1.00 21.25 C +ATOM 64 O PRO A 9 17.760 39.552 20.084 1.00 17.47 O +ATOM 65 CB PRO A 9 20.574 38.908 19.047 1.00 19.04 C +ATOM 66 CG PRO A 9 20.687 37.425 19.450 1.00 25.54 C +ATOM 67 CD PRO A 9 20.695 37.403 20.958 1.00 17.37 C +ATOM 68 N GLY A 10 18.697 41.656 20.019 1.00 21.90 N +ATOM 69 CA GLY A 10 17.487 42.426 19.756 1.00 18.35 C +ATOM 70 C GLY A 10 16.476 42.449 20.905 1.00 19.36 C +ATOM 71 O GLY A 10 15.311 42.745 20.642 1.00 18.88 O +ATOM 72 N ALA A 11 16.899 42.259 22.187 1.00 16.83 N +ATOM 73 CA ALA A 11 15.960 42.201 23.284 1.00 18.31 C +ATOM 74 C ALA A 11 15.625 43.630 23.738 1.00 17.96 C +ATOM 75 O ALA A 11 14.821 43.804 24.675 1.00 22.53 O +ATOM 76 CB ALA A 11 16.528 41.416 24.561 1.00 15.72 C +ATOM 77 N GLY A 12 16.317 44.646 23.192 1.00 15.75 N +ATOM 78 CA GLY A 12 16.082 46.035 23.547 1.00 20.57 C +ATOM 79 C GLY A 12 17.115 46.628 24.499 1.00 19.31 C +ATOM 80 O GLY A 12 16.847 47.654 25.139 1.00 18.99 O +ATOM 81 N LYS A 13 18.320 46.036 24.586 1.00 15.72 N +ATOM 82 CA LYS A 13 19.303 46.427 25.595 1.00 14.56 C +ATOM 83 C LYS A 13 19.811 47.802 25.236 1.00 23.49 C +ATOM 84 O LYS A 13 19.666 48.712 26.068 1.00 17.44 O +ATOM 85 CB LYS A 13 20.485 45.442 25.661 1.00 14.39 C +ATOM 86 CG LYS A 13 20.219 44.133 26.392 1.00 16.06 C +ATOM 87 CD LYS A 13 21.297 43.055 26.321 1.00 14.28 C +ATOM 88 CE LYS A 13 21.965 42.761 24.960 1.00 16.79 C +ATOM 89 NZ LYS A 13 21.056 42.207 23.991 1.00 14.14 N +ATOM 90 N GLY A 14 20.270 47.997 23.985 1.00 17.69 N +ATOM 91 CA GLY A 14 20.816 49.254 23.528 1.00 17.87 C +ATOM 92 C GLY A 14 19.793 50.385 23.631 1.00 22.90 C +ATOM 93 O GLY A 14 20.196 51.500 24.037 1.00 23.43 O +ATOM 94 N THR A 15 18.498 50.132 23.306 1.00 17.68 N +ATOM 95 CA THR A 15 17.421 51.124 23.373 1.00 11.87 C +ATOM 96 C THR A 15 17.273 51.590 24.830 1.00 21.09 C +ATOM 97 O THR A 15 17.270 52.795 25.123 1.00 17.30 O +ATOM 98 CB THR A 15 16.120 50.501 22.872 1.00 15.41 C +ATOM 99 OG1 THR A 15 16.372 50.206 21.494 1.00 17.67 O +ATOM 100 CG2 THR A 15 14.890 51.418 22.995 1.00 16.41 C +ATOM 101 N GLN A 16 17.226 50.671 25.798 1.00 18.86 N +ATOM 102 CA GLN A 16 17.135 51.071 27.210 1.00 24.63 C +ATOM 103 C GLN A 16 18.402 51.664 27.843 1.00 28.08 C +ATOM 104 O GLN A 16 18.310 52.464 28.793 1.00 21.17 O +ATOM 105 CB GLN A 16 16.681 49.884 28.037 1.00 22.62 C +ATOM 106 CG GLN A 16 15.323 49.406 27.525 1.00 28.34 C +ATOM 107 CD GLN A 16 14.227 50.459 27.630 1.00 26.24 C +ATOM 108 OE1 GLN A 16 13.285 50.464 26.849 1.00 28.75 O +ATOM 109 NE2 GLN A 16 14.220 51.378 28.575 1.00 21.97 N +ATOM 110 N ALA A 17 19.571 51.282 27.302 1.00 21.47 N +ATOM 111 CA ALA A 17 20.821 51.825 27.722 1.00 21.29 C +ATOM 112 C ALA A 17 20.827 53.331 27.452 1.00 24.27 C +ATOM 113 O ALA A 17 21.287 54.060 28.335 1.00 21.39 O +ATOM 114 CB ALA A 17 21.915 51.150 26.941 1.00 19.10 C +ATOM 115 N GLN A 18 20.335 53.865 26.299 1.00 23.09 N +ATOM 116 CA GLN A 18 20.249 55.314 26.080 1.00 35.13 C +ATOM 117 C GLN A 18 19.380 55.998 27.161 1.00 30.93 C +ATOM 118 O GLN A 18 19.805 57.033 27.660 1.00 29.17 O +ATOM 119 CB GLN A 18 19.663 55.642 24.704 1.00 39.96 C +ATOM 120 CG GLN A 18 20.470 55.251 23.446 1.00 56.33 C +ATOM 121 CD GLN A 18 19.589 55.276 22.173 1.00 66.12 C +ATOM 122 OE1 GLN A 18 19.597 54.383 21.297 1.00 60.71 O +ATOM 123 NE2 GLN A 18 18.775 56.322 22.023 1.00 58.49 N +ATOM 124 N PHE A 19 18.249 55.451 27.639 1.00 30.18 N +ATOM 125 CA PHE A 19 17.474 56.050 28.712 1.00 29.68 C +ATOM 126 C PHE A 19 18.238 56.003 30.023 1.00 28.43 C +ATOM 127 O PHE A 19 18.209 56.994 30.747 1.00 30.45 O +ATOM 128 CB PHE A 19 16.077 55.343 28.905 1.00 29.03 C +ATOM 129 CG PHE A 19 15.536 55.268 30.366 1.00 42.14 C +ATOM 130 CD1 PHE A 19 15.100 56.407 31.053 1.00 42.90 C +ATOM 131 CD2 PHE A 19 15.580 54.062 31.054 1.00 44.87 C +ATOM 132 CE1 PHE A 19 14.735 56.359 32.386 1.00 37.82 C +ATOM 133 CE2 PHE A 19 15.213 54.022 32.386 1.00 42.62 C +ATOM 134 CZ PHE A 19 14.799 55.160 33.050 1.00 43.84 C +ATOM 135 N ILE A 20 18.869 54.909 30.422 1.00 23.09 N +ATOM 136 CA ILE A 20 19.532 54.877 31.696 1.00 23.96 C +ATOM 137 C ILE A 20 20.645 55.887 31.681 1.00 29.63 C +ATOM 138 O ILE A 20 20.846 56.617 32.663 1.00 32.83 O +ATOM 139 CB ILE A 20 20.070 53.459 31.980 1.00 27.73 C +ATOM 140 CG1 ILE A 20 18.829 52.589 32.155 1.00 24.67 C +ATOM 141 CG2 ILE A 20 20.994 53.376 33.235 1.00 26.89 C +ATOM 142 CD1 ILE A 20 19.248 51.106 32.066 1.00 25.96 C +ATOM 143 N MET A 21 21.352 55.962 30.577 1.00 22.68 N +ATOM 144 CA MET A 21 22.441 56.903 30.479 1.00 32.34 C +ATOM 145 C MET A 21 21.963 58.344 30.645 1.00 36.61 C +ATOM 146 O MET A 21 22.537 59.094 31.451 1.00 35.98 O +ATOM 147 CB MET A 21 23.126 56.713 29.136 1.00 34.45 C +ATOM 148 CG MET A 21 23.987 57.889 28.770 1.00 47.17 C +ATOM 149 SD MET A 21 24.666 57.634 27.140 1.00 58.05 S +ATOM 150 CE MET A 21 26.316 57.426 27.691 1.00 46.92 C +ATOM 151 N GLU A 22 20.892 58.740 29.957 1.00 35.15 N +ATOM 152 CA GLU A 22 20.467 60.117 30.020 1.00 35.34 C +ATOM 153 C GLU A 22 19.853 60.448 31.354 1.00 41.37 C +ATOM 154 O GLU A 22 20.085 61.541 31.858 1.00 49.63 O +ATOM 155 CB GLU A 22 19.479 60.433 28.914 1.00 42.27 C +ATOM 156 CG GLU A 22 18.092 59.796 28.979 1.00 68.08 C +ATOM 157 CD GLU A 22 17.103 60.339 27.946 1.00 82.33 C +ATOM 158 OE1 GLU A 22 17.363 60.191 26.740 1.00 86.19 O +ATOM 159 OE2 GLU A 22 16.077 60.905 28.360 1.00 89.10 O +ATOM 160 N LYS A 23 19.160 59.507 31.983 1.00 40.77 N +ATOM 161 CA LYS A 23 18.497 59.710 33.252 1.00 35.64 C +ATOM 162 C LYS A 23 19.376 59.568 34.467 1.00 42.07 C +ATOM 163 O LYS A 23 19.054 60.110 35.524 1.00 51.32 O +ATOM 164 CB LYS A 23 17.349 58.727 33.381 1.00 39.75 C +ATOM 165 CG LYS A 23 16.112 59.315 34.008 1.00 41.63 C +ATOM 166 CD LYS A 23 15.916 58.649 35.332 1.00 47.22 C +ATOM 167 CE LYS A 23 14.562 59.056 35.858 1.00 50.81 C +ATOM 168 NZ LYS A 23 14.238 58.262 37.026 1.00 52.24 N +ATOM 169 N TYR A 24 20.432 58.765 34.406 1.00 46.00 N +ATOM 170 CA TYR A 24 21.269 58.502 35.566 1.00 38.91 C +ATOM 171 C TYR A 24 22.706 58.970 35.378 1.00 39.17 C +ATOM 172 O TYR A 24 23.565 58.695 36.216 1.00 40.96 O +ATOM 173 CB TYR A 24 21.239 57.011 35.866 1.00 41.58 C +ATOM 174 CG TYR A 24 19.834 56.522 36.193 1.00 45.68 C +ATOM 175 CD1 TYR A 24 19.324 56.640 37.474 1.00 43.85 C +ATOM 176 CD2 TYR A 24 19.065 55.950 35.192 1.00 51.33 C +ATOM 177 CE1 TYR A 24 18.047 56.180 37.751 1.00 53.35 C +ATOM 178 CE2 TYR A 24 17.787 55.490 35.459 1.00 52.15 C +ATOM 179 CZ TYR A 24 17.283 55.607 36.743 1.00 54.96 C +ATOM 180 OH TYR A 24 16.010 55.128 36.994 1.00 56.26 O +ATOM 181 N GLY A 25 22.969 59.641 34.252 1.00 34.82 N +ATOM 182 CA GLY A 25 24.253 60.217 33.938 1.00 29.00 C +ATOM 183 C GLY A 25 25.410 59.236 33.969 1.00 43.54 C +ATOM 184 O GLY A 25 26.527 59.669 34.253 1.00 44.35 O +ATOM 185 N ILE A 26 25.220 57.924 33.751 1.00 47.69 N +ATOM 186 CA ILE A 26 26.346 56.989 33.707 1.00 36.55 C +ATOM 187 C ILE A 26 26.607 56.614 32.249 1.00 35.98 C +ATOM 188 O ILE A 26 25.682 56.499 31.427 1.00 30.67 O +ATOM 189 CB ILE A 26 26.052 55.747 34.560 1.00 36.41 C +ATOM 190 CG1 ILE A 26 24.746 55.087 34.229 1.00 41.45 C +ATOM 191 CG2 ILE A 26 26.001 56.219 36.017 1.00 39.77 C +ATOM 192 CD1 ILE A 26 24.439 53.923 35.198 1.00 48.36 C +ATOM 193 N PRO A 27 27.875 56.500 31.841 1.00 34.73 N +ATOM 194 CA PRO A 27 28.231 56.198 30.472 1.00 28.83 C +ATOM 195 C PRO A 27 27.891 54.763 30.180 1.00 23.60 C +ATOM 196 O PRO A 27 28.027 53.875 31.033 1.00 27.00 O +ATOM 197 CB PRO A 27 29.693 56.494 30.393 1.00 28.89 C +ATOM 198 CG PRO A 27 30.135 56.089 31.760 1.00 35.46 C +ATOM 199 CD PRO A 27 29.069 56.668 32.663 1.00 33.80 C +ATOM 200 N GLN A 28 27.439 54.643 28.939 1.00 27.50 N +ATOM 201 CA GLN A 28 27.118 53.394 28.303 1.00 27.15 C +ATOM 202 C GLN A 28 28.433 52.911 27.659 1.00 30.41 C +ATOM 203 O GLN A 28 28.996 53.606 26.809 1.00 31.73 O +ATOM 204 CB GLN A 28 26.069 53.601 27.214 1.00 27.04 C +ATOM 205 CG GLN A 28 25.883 52.370 26.246 1.00 33.40 C +ATOM 206 CD GLN A 28 24.954 52.485 25.024 1.00 35.82 C +ATOM 207 OE1 GLN A 28 24.659 53.643 24.452 1.00 40.26 O +ATOM 208 NE2 GLN A 28 24.463 51.483 24.505 1.00 36.86 N +ATOM 209 N ILE A 29 28.954 51.735 28.010 1.00 28.81 N +ATOM 210 CA ILE A 29 30.122 51.105 27.381 1.00 30.28 C +ATOM 211 C ILE A 29 29.558 49.951 26.533 1.00 27.89 C +ATOM 212 O ILE A 29 29.160 48.912 27.052 1.00 25.04 O +ATOM 213 CB ILE A 29 31.060 50.660 28.537 1.00 26.02 C +ATOM 214 CG1 ILE A 29 31.505 51.927 29.291 1.00 20.27 C +ATOM 215 CG2 ILE A 29 32.195 49.761 27.969 1.00 23.69 C +ATOM 216 CD1 ILE A 29 32.357 51.636 30.507 1.00 32.49 C +ATOM 217 N SER A 30 29.386 50.098 25.234 1.00 24.91 N +ATOM 218 CA SER A 30 28.780 49.070 24.408 1.00 28.13 C +ATOM 219 C SER A 30 29.856 48.513 23.484 1.00 27.39 C +ATOM 220 O SER A 30 30.450 49.195 22.628 1.00 21.34 O +ATOM 221 CB SER A 30 27.641 49.674 23.614 1.00 21.93 C +ATOM 222 OG SER A 30 27.393 49.012 22.382 1.00 29.69 O +ATOM 223 N THR A 31 30.102 47.225 23.695 1.00 23.11 N +ATOM 224 CA THR A 31 31.156 46.587 22.987 1.00 19.90 C +ATOM 225 C THR A 31 30.787 46.464 21.542 1.00 18.73 C +ATOM 226 O THR A 31 31.720 46.622 20.766 1.00 19.30 O +ATOM 227 CB THR A 31 31.489 45.205 23.617 1.00 20.48 C +ATOM 228 OG1 THR A 31 30.313 44.530 23.975 1.00 21.10 O +ATOM 229 CG2 THR A 31 32.316 45.409 24.879 1.00 20.87 C +ATOM 230 N GLY A 32 29.544 46.231 21.122 1.00 16.33 N +ATOM 231 CA GLY A 32 29.191 46.253 19.704 1.00 21.95 C +ATOM 232 C GLY A 32 29.525 47.627 19.099 1.00 22.83 C +ATOM 233 O GLY A 32 30.121 47.705 18.019 1.00 17.51 O +ATOM 234 N ASP A 33 29.237 48.726 19.826 1.00 23.46 N +ATOM 235 CA ASP A 33 29.487 50.042 19.273 1.00 25.07 C +ATOM 236 C ASP A 33 30.983 50.250 19.161 1.00 22.43 C +ATOM 237 O ASP A 33 31.454 50.638 18.077 1.00 25.43 O +ATOM 238 CB ASP A 33 28.914 51.173 20.141 1.00 20.81 C +ATOM 239 CG ASP A 33 27.419 51.446 19.994 1.00 34.20 C +ATOM 240 OD1 ASP A 33 26.816 50.961 19.027 1.00 28.19 O +ATOM 241 OD2 ASP A 33 26.880 52.176 20.852 1.00 37.34 O +ATOM 242 N MET A 34 31.738 49.947 20.223 1.00 16.91 N +ATOM 243 CA MET A 34 33.184 50.074 20.161 1.00 16.15 C +ATOM 244 C MET A 34 33.787 49.222 19.073 1.00 17.63 C +ATOM 245 O MET A 34 34.703 49.685 18.386 1.00 23.65 O +ATOM 246 CB MET A 34 33.832 49.679 21.452 1.00 17.88 C +ATOM 247 CG MET A 34 33.464 50.634 22.545 1.00 28.29 C +ATOM 248 SD MET A 34 34.415 50.284 24.035 1.00 37.95 S +ATOM 249 CE MET A 34 33.371 49.008 24.702 1.00 31.80 C +ATOM 250 N LEU A 35 33.336 48.008 18.816 1.00 14.18 N +ATOM 251 CA LEU A 35 33.940 47.195 17.763 1.00 18.35 C +ATOM 252 C LEU A 35 33.532 47.687 16.374 1.00 22.21 C +ATOM 253 O LEU A 35 34.397 47.686 15.499 1.00 23.14 O +ATOM 254 CB LEU A 35 33.538 45.702 17.921 1.00 14.38 C +ATOM 255 CG LEU A 35 34.178 44.933 19.144 1.00 22.42 C +ATOM 256 CD1 LEU A 35 33.426 43.634 19.487 1.00 22.66 C +ATOM 257 CD2 LEU A 35 35.633 44.683 18.796 1.00 21.21 C +ATOM 258 N ARG A 36 32.291 48.095 16.040 1.00 25.04 N +ATOM 259 CA ARG A 36 31.961 48.619 14.693 1.00 21.19 C +ATOM 260 C ARG A 36 32.777 49.890 14.437 1.00 20.98 C +ATOM 261 O ARG A 36 33.328 50.113 13.362 1.00 22.82 O +ATOM 262 CB ARG A 36 30.469 48.931 14.605 1.00 15.77 C +ATOM 263 CG ARG A 36 29.578 47.699 14.429 1.00 19.41 C +ATOM 264 CD ARG A 36 28.058 47.971 14.453 1.00 15.24 C +ATOM 265 NE ARG A 36 27.555 48.398 15.764 1.00 17.70 N +ATOM 266 CZ ARG A 36 27.064 47.570 16.706 1.00 14.08 C +ATOM 267 NH1 ARG A 36 27.106 46.256 16.575 1.00 20.01 N +ATOM 268 NH2 ARG A 36 26.547 48.043 17.839 1.00 15.42 N +ATOM 269 N ALA A 37 32.963 50.707 15.460 1.00 17.17 N +ATOM 270 CA ALA A 37 33.778 51.895 15.373 1.00 27.13 C +ATOM 271 C ALA A 37 35.212 51.490 15.060 1.00 28.62 C +ATOM 272 O ALA A 37 35.775 51.983 14.083 1.00 27.31 O +ATOM 273 CB ALA A 37 33.764 52.668 16.691 1.00 24.59 C +ATOM 274 N ALA A 38 35.832 50.581 15.801 1.00 23.95 N +ATOM 275 CA ALA A 38 37.207 50.146 15.498 1.00 28.55 C +ATOM 276 C ALA A 38 37.350 49.607 14.071 1.00 23.97 C +ATOM 277 O ALA A 38 38.315 49.935 13.355 1.00 26.96 O +ATOM 278 CB ALA A 38 37.658 49.037 16.499 1.00 23.72 C +ATOM 279 N VAL A 39 36.370 48.833 13.594 1.00 20.08 N +ATOM 280 CA VAL A 39 36.426 48.279 12.266 1.00 21.10 C +ATOM 281 C VAL A 39 36.378 49.421 11.306 1.00 33.75 C +ATOM 282 O VAL A 39 37.180 49.428 10.380 1.00 40.93 O +ATOM 283 CB VAL A 39 35.264 47.365 12.049 1.00 22.86 C +ATOM 284 CG1 VAL A 39 35.016 47.117 10.563 1.00 26.70 C +ATOM 285 CG2 VAL A 39 35.625 46.029 12.675 1.00 19.03 C +ATOM 286 N LYS A 40 35.526 50.417 11.553 1.00 36.34 N +ATOM 287 CA LYS A 40 35.384 51.553 10.650 1.00 38.88 C +ATOM 288 C LYS A 40 36.590 52.492 10.671 1.00 39.37 C +ATOM 289 O LYS A 40 36.908 53.028 9.605 1.00 39.37 O +ATOM 290 CB LYS A 40 34.110 52.246 11.044 1.00 46.46 C +ATOM 291 CG LYS A 40 33.417 53.311 10.207 1.00 55.86 C +ATOM 292 CD LYS A 40 32.105 53.543 10.986 1.00 68.28 C +ATOM 293 CE LYS A 40 32.307 53.985 12.477 1.00 76.27 C +ATOM 294 NZ LYS A 40 31.158 53.781 13.360 1.00 74.69 N +ATOM 295 N SER A 41 37.272 52.721 11.806 1.00 30.04 N +ATOM 296 CA SER A 41 38.507 53.491 11.905 1.00 33.63 C +ATOM 297 C SER A 41 39.777 52.736 11.541 1.00 34.75 C +ATOM 298 O SER A 41 40.837 53.367 11.412 1.00 43.02 O +ATOM 299 CB SER A 41 38.784 53.990 13.294 1.00 31.94 C +ATOM 300 OG SER A 41 37.700 54.780 13.703 1.00 53.72 O +ATOM 301 N GLY A 42 39.746 51.404 11.382 1.00 39.50 N +ATOM 302 CA GLY A 42 40.955 50.617 11.185 1.00 29.51 C +ATOM 303 C GLY A 42 41.822 50.731 12.450 1.00 28.13 C +ATOM 304 O GLY A 42 43.052 50.709 12.332 1.00 31.99 O +ATOM 305 N SER A 43 41.232 50.910 13.656 1.00 24.66 N +ATOM 306 CA SER A 43 41.976 50.997 14.916 1.00 29.21 C +ATOM 307 C SER A 43 42.661 49.644 15.134 1.00 31.46 C +ATOM 308 O SER A 43 42.039 48.580 14.922 1.00 25.60 O +ATOM 309 CB SER A 43 41.035 51.263 16.084 1.00 29.99 C +ATOM 310 OG SER A 43 40.232 52.405 15.825 1.00 44.89 O +ATOM 311 N GLU A 44 43.932 49.643 15.550 1.00 31.16 N +ATOM 312 CA GLU A 44 44.618 48.368 15.772 1.00 33.01 C +ATOM 313 C GLU A 44 43.907 47.521 16.842 1.00 28.72 C +ATOM 314 O GLU A 44 43.847 46.298 16.691 1.00 30.36 O +ATOM 315 CB GLU A 44 46.104 48.609 16.173 1.00 33.07 C +ATOM 316 CG GLU A 44 46.901 47.312 16.527 1.00 49.76 C +ATOM 317 CD GLU A 44 46.976 46.124 15.533 1.00 56.05 C +ATOM 318 OE1 GLU A 44 46.829 46.355 14.334 1.00 64.47 O +ATOM 319 OE2 GLU A 44 47.197 44.971 15.941 1.00 42.68 O +ATOM 320 N LEU A 45 43.369 48.073 17.935 1.00 21.36 N +ATOM 321 CA LEU A 45 42.604 47.255 18.836 1.00 20.92 C +ATOM 322 C LEU A 45 41.154 47.218 18.387 1.00 22.01 C +ATOM 323 O LEU A 45 40.358 48.129 18.639 1.00 25.70 O +ATOM 324 CB LEU A 45 42.682 47.763 20.285 1.00 21.03 C +ATOM 325 CG LEU A 45 42.073 46.942 21.452 1.00 23.72 C +ATOM 326 CD1 LEU A 45 42.721 45.578 21.647 1.00 21.19 C +ATOM 327 CD2 LEU A 45 42.367 47.680 22.716 1.00 29.45 C +ATOM 328 N GLY A 46 40.826 46.179 17.622 1.00 18.13 N +ATOM 329 CA GLY A 46 39.438 45.942 17.303 1.00 17.17 C +ATOM 330 C GLY A 46 39.168 45.842 15.824 1.00 23.73 C +ATOM 331 O GLY A 46 38.144 45.232 15.468 1.00 24.40 O +ATOM 332 N LYS A 47 39.996 46.362 14.895 1.00 23.50 N +ATOM 333 CA LYS A 47 39.679 46.226 13.467 1.00 25.84 C +ATOM 334 C LYS A 47 39.573 44.757 13.054 1.00 22.74 C +ATOM 335 O LYS A 47 38.879 44.398 12.105 1.00 24.12 O +ATOM 336 CB LYS A 47 40.745 46.915 12.592 1.00 27.57 C +ATOM 337 CG LYS A 47 42.100 46.284 12.693 1.00 29.81 C +ATOM 338 CD LYS A 47 43.176 46.843 11.807 1.00 39.67 C +ATOM 339 CE LYS A 47 44.309 45.903 12.225 1.00 49.23 C +ATOM 340 NZ LYS A 47 45.613 46.363 11.795 1.00 59.26 N +ATOM 341 N GLN A 48 40.174 43.863 13.838 1.00 23.23 N +ATOM 342 CA GLN A 48 40.193 42.426 13.556 1.00 29.80 C +ATOM 343 C GLN A 48 38.799 41.803 13.641 1.00 28.52 C +ATOM 344 O GLN A 48 38.628 40.680 13.160 1.00 24.52 O +ATOM 345 CB GLN A 48 41.091 41.651 14.550 1.00 28.39 C +ATOM 346 CG GLN A 48 42.545 42.077 14.615 1.00 16.98 C +ATOM 347 CD GLN A 48 42.764 43.318 15.409 1.00 21.22 C +ATOM 348 OE1 GLN A 48 41.872 43.870 16.081 1.00 26.23 O +ATOM 349 NE2 GLN A 48 43.995 43.740 15.370 1.00 23.03 N +ATOM 350 N ALA A 49 37.806 42.475 14.253 1.00 21.21 N +ATOM 351 CA ALA A 49 36.488 41.903 14.418 1.00 16.89 C +ATOM 352 C ALA A 49 35.659 41.895 13.161 1.00 19.52 C +ATOM 353 O ALA A 49 34.709 41.109 13.072 1.00 23.10 O +ATOM 354 CB ALA A 49 35.759 42.659 15.487 1.00 22.58 C +ATOM 355 N LYS A 50 36.097 42.602 12.125 1.00 17.73 N +ATOM 356 CA LYS A 50 35.308 42.759 10.917 1.00 24.66 C +ATOM 357 C LYS A 50 34.650 41.524 10.384 1.00 30.87 C +ATOM 358 O LYS A 50 33.426 41.471 10.278 1.00 36.65 O +ATOM 359 CB LYS A 50 36.143 43.316 9.800 1.00 34.17 C +ATOM 360 CG LYS A 50 35.224 43.799 8.664 1.00 45.95 C +ATOM 361 CD LYS A 50 36.154 44.209 7.561 1.00 56.17 C +ATOM 362 CE LYS A 50 35.425 44.373 6.250 1.00 66.66 C +ATOM 363 NZ LYS A 50 36.415 44.386 5.180 1.00 79.68 N +ATOM 364 N ASP A 51 35.416 40.493 10.111 1.00 28.37 N +ATOM 365 CA ASP A 51 34.849 39.271 9.552 1.00 35.62 C +ATOM 366 C ASP A 51 34.045 38.338 10.448 1.00 25.22 C +ATOM 367 O ASP A 51 33.120 37.663 10.011 1.00 30.31 O +ATOM 368 CB ASP A 51 35.989 38.504 8.921 1.00 43.20 C +ATOM 369 CG ASP A 51 36.454 39.059 7.573 1.00 50.07 C +ATOM 370 OD1 ASP A 51 35.853 40.016 7.050 1.00 46.59 O +ATOM 371 OD2 ASP A 51 37.423 38.492 7.051 1.00 57.73 O +ATOM 372 N ILE A 52 34.418 38.333 11.713 1.00 22.79 N +ATOM 373 CA ILE A 52 33.759 37.591 12.753 1.00 23.52 C +ATOM 374 C ILE A 52 32.335 38.163 12.892 1.00 20.34 C +ATOM 375 O ILE A 52 31.372 37.397 12.769 1.00 22.10 O +ATOM 376 CB ILE A 52 34.522 37.749 14.102 1.00 22.08 C +ATOM 377 CG1 ILE A 52 36.035 37.435 13.963 1.00 26.19 C +ATOM 378 CG2 ILE A 52 33.881 36.769 15.110 1.00 21.64 C +ATOM 379 CD1 ILE A 52 36.841 37.512 15.303 1.00 33.11 C +ATOM 380 N MET A 53 32.175 39.479 13.080 1.00 19.44 N +ATOM 381 CA MET A 53 30.854 40.075 13.253 1.00 23.37 C +ATOM 382 C MET A 53 29.979 39.860 12.019 1.00 24.24 C +ATOM 383 O MET A 53 28.783 39.588 12.107 1.00 26.60 O +ATOM 384 CB MET A 53 30.924 41.555 13.495 1.00 15.23 C +ATOM 385 CG MET A 53 31.597 41.967 14.781 1.00 17.79 C +ATOM 386 SD MET A 53 31.472 43.709 15.259 1.00 23.09 S +ATOM 387 CE MET A 53 32.499 44.502 14.091 1.00 24.41 C +ATOM 388 N ASP A 54 30.589 39.897 10.843 1.00 29.99 N +ATOM 389 CA ASP A 54 29.903 39.620 9.595 1.00 34.41 C +ATOM 390 C ASP A 54 29.341 38.234 9.548 1.00 34.53 C +ATOM 391 O ASP A 54 28.271 38.002 8.980 1.00 27.93 O +ATOM 392 CB ASP A 54 30.846 39.759 8.427 1.00 53.31 C +ATOM 393 CG ASP A 54 30.564 41.029 7.641 1.00 70.87 C +ATOM 394 OD1 ASP A 54 29.567 41.055 6.910 1.00 79.36 O +ATOM 395 OD2 ASP A 54 31.337 41.984 7.762 1.00 76.90 O +ATOM 396 N ALA A 55 30.099 37.277 10.090 1.00 34.64 N +ATOM 397 CA ALA A 55 29.654 35.907 10.111 1.00 25.96 C +ATOM 398 C ALA A 55 28.643 35.688 11.231 1.00 30.04 C +ATOM 399 O ALA A 55 27.968 34.667 11.178 1.00 28.03 O +ATOM 400 CB ALA A 55 30.846 34.979 10.311 1.00 30.79 C +ATOM 401 N GLY A 56 28.424 36.586 12.210 1.00 27.41 N +ATOM 402 CA GLY A 56 27.438 36.396 13.278 1.00 16.79 C +ATOM 403 C GLY A 56 28.029 35.715 14.500 1.00 19.84 C +ATOM 404 O GLY A 56 27.354 35.184 15.394 1.00 20.05 O +ATOM 405 N LYS A 57 29.353 35.725 14.527 1.00 19.78 N +ATOM 406 CA LYS A 57 30.045 35.011 15.563 1.00 20.20 C +ATOM 407 C LYS A 57 30.554 35.895 16.685 1.00 16.98 C +ATOM 408 O LYS A 57 30.776 37.065 16.459 1.00 15.79 O +ATOM 409 CB LYS A 57 31.199 34.244 14.906 1.00 29.82 C +ATOM 410 CG LYS A 57 30.657 32.925 14.399 1.00 40.46 C +ATOM 411 CD LYS A 57 31.789 32.009 13.997 1.00 62.41 C +ATOM 412 CE LYS A 57 31.195 30.661 13.561 1.00 79.19 C +ATOM 413 NZ LYS A 57 32.082 29.917 12.671 1.00 88.79 N +ATOM 414 N LEU A 58 30.876 35.344 17.855 1.00 20.88 N +ATOM 415 CA LEU A 58 31.439 36.126 18.922 1.00 23.72 C +ATOM 416 C LEU A 58 32.927 36.378 18.633 1.00 31.20 C +ATOM 417 O LEU A 58 33.598 35.546 18.015 1.00 18.63 O +ATOM 418 CB LEU A 58 31.221 35.381 20.215 1.00 16.70 C +ATOM 419 CG LEU A 58 29.766 35.311 20.615 1.00 21.10 C +ATOM 420 CD1 LEU A 58 29.660 34.685 22.003 1.00 21.80 C +ATOM 421 CD2 LEU A 58 29.175 36.702 20.724 1.00 19.30 C +ATOM 422 N VAL A 59 33.396 37.616 18.899 1.00 30.29 N +ATOM 423 CA VAL A 59 34.805 38.036 18.787 1.00 23.29 C +ATOM 424 C VAL A 59 35.544 37.378 20.008 1.00 21.99 C +ATOM 425 O VAL A 59 34.935 37.144 21.071 1.00 21.43 O +ATOM 426 CB VAL A 59 34.761 39.591 18.806 1.00 19.93 C +ATOM 427 CG1 VAL A 59 36.142 40.223 18.968 1.00 18.47 C +ATOM 428 CG2 VAL A 59 34.130 40.031 17.478 1.00 20.27 C +ATOM 429 N THR A 60 36.865 37.120 19.939 1.00 21.24 N +ATOM 430 CA THR A 60 37.608 36.412 20.972 1.00 25.23 C +ATOM 431 C THR A 60 37.527 37.208 22.258 1.00 18.79 C +ATOM 432 O THR A 60 37.609 38.459 22.254 1.00 21.05 O +ATOM 433 CB THR A 60 39.117 36.197 20.509 1.00 33.74 C +ATOM 434 OG1 THR A 60 39.753 37.453 20.343 1.00 39.83 O +ATOM 435 CG2 THR A 60 39.207 35.549 19.155 1.00 33.28 C +ATOM 436 N ASP A 61 37.436 36.473 23.370 1.00 17.01 N +ATOM 437 CA ASP A 61 37.300 37.089 24.665 1.00 19.81 C +ATOM 438 C ASP A 61 38.471 37.991 24.925 1.00 17.79 C +ATOM 439 O ASP A 61 38.270 39.110 25.380 1.00 20.11 O +ATOM 440 CB ASP A 61 37.283 36.074 25.778 1.00 24.12 C +ATOM 441 CG ASP A 61 36.119 35.113 25.728 1.00 23.83 C +ATOM 442 OD1 ASP A 61 35.028 35.471 25.285 1.00 23.79 O +ATOM 443 OD2 ASP A 61 36.303 34.003 26.173 1.00 28.74 O +ATOM 444 N GLU A 62 39.673 37.506 24.610 1.00 20.66 N +ATOM 445 CA GLU A 62 40.905 38.219 24.879 1.00 19.00 C +ATOM 446 C GLU A 62 40.846 39.627 24.225 1.00 19.84 C +ATOM 447 O GLU A 62 41.185 40.658 24.843 1.00 19.50 O +ATOM 448 CB GLU A 62 41.978 37.216 24.370 1.00 23.93 C +ATOM 449 CG GLU A 62 43.314 37.871 24.232 1.00 32.16 C +ATOM 450 CD GLU A 62 44.432 37.171 23.444 1.00 24.91 C +ATOM 451 OE1 GLU A 62 44.232 36.601 22.375 1.00 22.63 O +ATOM 452 OE2 GLU A 62 45.550 37.294 23.917 1.00 24.05 O +ATOM 453 N LEU A 63 40.288 39.759 23.018 1.00 20.30 N +ATOM 454 CA LEU A 63 40.206 41.060 22.376 1.00 20.21 C +ATOM 455 C LEU A 63 39.236 42.029 23.037 1.00 24.42 C +ATOM 456 O LEU A 63 39.556 43.177 23.403 1.00 26.47 O +ATOM 457 CB LEU A 63 39.820 40.866 20.937 1.00 22.40 C +ATOM 458 CG LEU A 63 39.963 41.979 19.870 1.00 31.71 C +ATOM 459 CD1 LEU A 63 41.386 42.539 19.788 1.00 29.21 C +ATOM 460 CD2 LEU A 63 39.567 41.359 18.551 1.00 28.31 C +ATOM 461 N VAL A 64 38.042 41.515 23.278 1.00 19.19 N +ATOM 462 CA VAL A 64 36.989 42.314 23.858 1.00 22.62 C +ATOM 463 C VAL A 64 37.317 42.711 25.310 1.00 18.33 C +ATOM 464 O VAL A 64 37.064 43.855 25.724 1.00 18.42 O +ATOM 465 CB VAL A 64 35.727 41.422 23.626 1.00 27.94 C +ATOM 466 CG1 VAL A 64 34.666 41.782 24.563 1.00 28.09 C +ATOM 467 CG2 VAL A 64 35.186 41.635 22.200 1.00 21.84 C +ATOM 468 N ILE A 65 37.932 41.831 26.118 1.00 15.64 N +ATOM 469 CA ILE A 65 38.291 42.205 27.487 1.00 21.40 C +ATOM 470 C ILE A 65 39.308 43.361 27.450 1.00 18.81 C +ATOM 471 O ILE A 65 39.185 44.270 28.275 1.00 22.15 O +ATOM 472 CB ILE A 65 38.880 40.988 28.218 1.00 21.60 C +ATOM 473 CG1 ILE A 65 37.768 39.982 28.459 1.00 24.64 C +ATOM 474 CG2 ILE A 65 39.518 41.397 29.563 1.00 19.09 C +ATOM 475 CD1 ILE A 65 38.290 38.529 28.684 1.00 33.45 C +ATOM 476 N ALA A 66 40.247 43.371 26.490 1.00 22.49 N +ATOM 477 CA ALA A 66 41.229 44.428 26.326 1.00 23.47 C +ATOM 478 C ALA A 66 40.556 45.752 26.050 1.00 27.14 C +ATOM 479 O ALA A 66 40.889 46.691 26.771 1.00 22.25 O +ATOM 480 CB ALA A 66 42.154 44.098 25.181 1.00 26.83 C +ATOM 481 N LEU A 67 39.598 45.847 25.096 1.00 22.67 N +ATOM 482 CA LEU A 67 38.822 47.067 24.857 1.00 23.20 C +ATOM 483 C LEU A 67 38.087 47.631 26.094 1.00 23.28 C +ATOM 484 O LEU A 67 38.032 48.833 26.366 1.00 22.63 O +ATOM 485 CB LEU A 67 37.710 46.875 23.851 1.00 25.15 C +ATOM 486 CG LEU A 67 37.953 46.957 22.398 1.00 32.06 C +ATOM 487 CD1 LEU A 67 36.584 47.044 21.775 1.00 30.24 C +ATOM 488 CD2 LEU A 67 38.687 48.217 21.983 1.00 37.55 C +ATOM 489 N VAL A 68 37.431 46.744 26.840 1.00 27.54 N +ATOM 490 CA VAL A 68 36.653 47.149 28.003 1.00 20.21 C +ATOM 491 C VAL A 68 37.537 47.626 29.102 1.00 19.66 C +ATOM 492 O VAL A 68 37.203 48.612 29.736 1.00 30.83 O +ATOM 493 CB VAL A 68 35.831 45.965 28.478 1.00 26.49 C +ATOM 494 CG1 VAL A 68 34.940 46.335 29.616 1.00 31.37 C +ATOM 495 CG2 VAL A 68 34.898 45.539 27.352 1.00 31.66 C +ATOM 496 N LYS A 69 38.667 46.995 29.384 1.00 22.78 N +ATOM 497 CA LYS A 69 39.562 47.475 30.424 1.00 25.90 C +ATOM 498 C LYS A 69 40.090 48.852 30.080 1.00 24.97 C +ATOM 499 O LYS A 69 40.097 49.753 30.915 1.00 31.23 O +ATOM 500 CB LYS A 69 40.700 46.501 30.600 1.00 28.00 C +ATOM 501 CG LYS A 69 40.167 45.297 31.338 1.00 30.21 C +ATOM 502 CD LYS A 69 41.270 44.299 31.635 1.00 36.61 C +ATOM 503 CE LYS A 69 40.783 43.298 32.706 1.00 31.99 C +ATOM 504 NZ LYS A 69 41.758 42.233 32.928 1.00 42.55 N +ATOM 505 N GLU A 70 40.397 49.079 28.816 1.00 33.07 N +ATOM 506 CA GLU A 70 40.826 50.385 28.390 1.00 30.58 C +ATOM 507 C GLU A 70 39.776 51.431 28.654 1.00 35.74 C +ATOM 508 O GLU A 70 40.061 52.492 29.219 1.00 40.89 O +ATOM 509 CB GLU A 70 41.137 50.372 26.925 1.00 36.86 C +ATOM 510 CG GLU A 70 42.419 49.619 26.569 1.00 68.88 C +ATOM 511 CD GLU A 70 43.756 50.224 27.053 1.00 81.97 C +ATOM 512 OE1 GLU A 70 44.192 51.213 26.452 1.00 91.43 O +ATOM 513 OE2 GLU A 70 44.377 49.696 27.992 1.00 83.01 O +ATOM 514 N ARG A 71 38.530 51.127 28.314 1.00 34.88 N +ATOM 515 CA ARG A 71 37.492 52.114 28.408 1.00 28.25 C +ATOM 516 C ARG A 71 37.148 52.412 29.843 1.00 29.75 C +ATOM 517 O ARG A 71 36.991 53.574 30.227 1.00 34.73 O +ATOM 518 CB ARG A 71 36.343 51.567 27.618 1.00 34.66 C +ATOM 519 CG ARG A 71 35.168 52.512 27.514 1.00 40.53 C +ATOM 520 CD ARG A 71 35.377 53.828 26.770 1.00 43.80 C +ATOM 521 NE ARG A 71 34.191 54.670 26.914 1.00 44.89 N +ATOM 522 CZ ARG A 71 33.973 55.394 28.021 1.00 48.53 C +ATOM 523 NH1 ARG A 71 34.867 55.374 29.010 1.00 57.90 N +ATOM 524 NH2 ARG A 71 32.869 56.143 28.147 1.00 51.00 N +ATOM 525 N ILE A 72 37.112 51.388 30.683 1.00 25.93 N +ATOM 526 CA ILE A 72 36.751 51.628 32.046 1.00 37.60 C +ATOM 527 C ILE A 72 37.787 52.553 32.685 1.00 44.26 C +ATOM 528 O ILE A 72 37.427 53.302 33.600 1.00 48.70 O +ATOM 529 CB ILE A 72 36.610 50.224 32.696 1.00 41.40 C +ATOM 530 CG1 ILE A 72 35.159 49.850 32.530 1.00 39.96 C +ATOM 531 CG2 ILE A 72 36.972 50.163 34.165 1.00 42.22 C +ATOM 532 CD1 ILE A 72 34.812 48.546 33.232 1.00 37.38 C +ATOM 533 N ALA A 73 39.030 52.562 32.162 1.00 43.97 N +ATOM 534 CA ALA A 73 40.118 53.390 32.667 1.00 44.66 C +ATOM 535 C ALA A 73 40.006 54.893 32.371 1.00 52.90 C +ATOM 536 O ALA A 73 40.631 55.700 33.076 1.00 55.40 O +ATOM 537 CB ALA A 73 41.427 52.868 32.102 1.00 46.54 C +ATOM 538 N GLN A 74 39.183 55.305 31.395 1.00 52.56 N +ATOM 539 CA GLN A 74 38.879 56.700 31.105 1.00 54.46 C +ATOM 540 C GLN A 74 38.149 57.337 32.249 1.00 61.22 C +ATOM 541 O GLN A 74 37.207 56.740 32.781 1.00 54.31 O +ATOM 542 CB GLN A 74 37.966 56.863 29.913 1.00 63.60 C +ATOM 543 CG GLN A 74 38.663 57.055 28.588 1.00 72.57 C +ATOM 544 CD GLN A 74 39.765 56.027 28.429 1.00 79.14 C +ATOM 545 OE1 GLN A 74 40.864 56.177 28.960 1.00 83.90 O +ATOM 546 NE2 GLN A 74 39.490 54.937 27.738 1.00 82.91 N +ATOM 547 N GLU A 75 38.475 58.612 32.497 1.00 77.77 N +ATOM 548 CA GLU A 75 37.942 59.347 33.644 1.00 91.10 C +ATOM 549 C GLU A 75 36.415 59.360 33.749 1.00 93.91 C +ATOM 550 O GLU A 75 35.879 59.633 34.819 1.00 95.86 O +ATOM 551 CB GLU A 75 38.425 60.829 33.654 1.00 98.26 C +ATOM 552 CG GLU A 75 38.526 61.372 35.113 1.00103.87 C +ATOM 553 CD GLU A 75 38.185 62.829 35.468 1.00104.80 C +ATOM 554 OE1 GLU A 75 37.004 63.210 35.441 1.00102.97 O +ATOM 555 OE2 GLU A 75 39.105 63.564 35.839 1.00104.78 O +ATOM 556 N ASP A 76 35.616 59.078 32.718 1.00 93.76 N +ATOM 557 CA ASP A 76 34.169 59.072 32.914 1.00 92.02 C +ATOM 558 C ASP A 76 33.706 57.854 33.711 1.00 89.07 C +ATOM 559 O ASP A 76 32.676 57.919 34.384 1.00 91.58 O +ATOM 560 CB ASP A 76 33.458 59.100 31.568 1.00 93.17 C +ATOM 561 CG ASP A 76 33.882 57.975 30.644 1.00 95.09 C +ATOM 562 OD1 ASP A 76 33.457 56.847 30.869 1.00 93.80 O +ATOM 563 OD2 ASP A 76 34.641 58.228 29.711 1.00 98.66 O +ATOM 564 N CYS A 77 34.453 56.748 33.687 1.00 83.80 N +ATOM 565 CA CYS A 77 34.023 55.549 34.377 1.00 86.85 C +ATOM 566 C CYS A 77 34.310 55.413 35.882 1.00 86.06 C +ATOM 567 O CYS A 77 33.851 54.454 36.538 1.00 76.52 O +ATOM 568 CB CYS A 77 34.601 54.387 33.587 1.00 91.50 C +ATOM 569 SG CYS A 77 33.687 54.075 32.043 1.00 97.16 S +ATOM 570 N ARG A 78 35.006 56.403 36.489 1.00 86.24 N +ATOM 571 CA ARG A 78 35.295 56.377 37.930 1.00 80.21 C +ATOM 572 C ARG A 78 34.070 56.504 38.817 1.00 76.65 C +ATOM 573 O ARG A 78 34.124 56.054 39.971 1.00 66.30 O +ATOM 574 CB ARG A 78 36.300 57.470 38.328 1.00 76.97 C +ATOM 575 CG ARG A 78 36.332 58.732 37.505 1.00 83.24 C +ATOM 576 CD ARG A 78 35.130 59.641 37.680 1.00 90.01 C +ATOM 577 NE ARG A 78 35.264 60.191 39.007 1.00 95.96 N +ATOM 578 CZ ARG A 78 35.993 61.277 39.249 1.00 99.10 C +ATOM 579 NH1 ARG A 78 36.520 62.025 38.277 1.00100.61 N +ATOM 580 NH2 ARG A 78 36.144 61.646 40.515 1.00106.26 N +ATOM 581 N ASN A 79 32.968 57.042 38.246 1.00 72.42 N +ATOM 582 CA ASN A 79 31.688 57.065 38.942 1.00 68.72 C +ATOM 583 C ASN A 79 30.547 56.203 38.348 1.00 60.44 C +ATOM 584 O ASN A 79 29.333 56.432 38.474 1.00 59.20 O +ATOM 585 CB ASN A 79 31.248 58.516 39.083 1.00 76.33 C +ATOM 586 CG ASN A 79 31.876 59.229 40.281 1.00 84.78 C +ATOM 587 OD1 ASN A 79 32.717 58.723 41.031 1.00 81.21 O +ATOM 588 ND2 ASN A 79 31.493 60.483 40.481 1.00 95.47 N +ATOM 589 N GLY A 80 30.893 55.065 37.766 1.00 50.24 N +ATOM 590 CA GLY A 80 29.874 54.162 37.301 1.00 42.01 C +ATOM 591 C GLY A 80 29.876 54.131 35.806 1.00 40.97 C +ATOM 592 O GLY A 80 30.481 54.954 35.108 1.00 42.41 O +ATOM 593 N PHE A 81 29.175 53.126 35.339 1.00 30.61 N +ATOM 594 CA PHE A 81 29.106 52.875 33.933 1.00 27.69 C +ATOM 595 C PHE A 81 28.054 51.772 33.789 1.00 29.03 C +ATOM 596 O PHE A 81 27.708 51.011 34.721 1.00 30.28 O +ATOM 597 CB PHE A 81 30.488 52.437 33.455 1.00 23.62 C +ATOM 598 CG PHE A 81 31.144 51.301 34.244 1.00 31.29 C +ATOM 599 CD1 PHE A 81 30.709 49.987 34.151 1.00 32.67 C +ATOM 600 CD2 PHE A 81 32.177 51.582 35.106 1.00 37.49 C +ATOM 601 CE1 PHE A 81 31.276 48.981 34.900 1.00 36.53 C +ATOM 602 CE2 PHE A 81 32.753 50.572 35.859 1.00 40.77 C +ATOM 603 CZ PHE A 81 32.307 49.275 35.761 1.00 43.61 C +ATOM 604 N LEU A 82 27.572 51.677 32.576 1.00 22.96 N +ATOM 605 CA LEU A 82 26.566 50.720 32.180 1.00 23.06 C +ATOM 606 C LEU A 82 27.232 49.795 31.129 1.00 23.88 C +ATOM 607 O LEU A 82 27.737 50.305 30.120 1.00 22.70 O +ATOM 608 CB LEU A 82 25.443 51.611 31.676 1.00 24.66 C +ATOM 609 CG LEU A 82 24.393 51.169 30.711 1.00 35.91 C +ATOM 610 CD1 LEU A 82 23.487 50.154 31.356 1.00 38.55 C +ATOM 611 CD2 LEU A 82 23.647 52.397 30.272 1.00 36.65 C +ATOM 612 N LEU A 83 27.322 48.468 31.312 1.00 22.35 N +ATOM 613 CA LEU A 83 27.916 47.525 30.373 1.00 21.98 C +ATOM 614 C LEU A 83 26.790 46.979 29.510 1.00 15.68 C +ATOM 615 O LEU A 83 25.890 46.273 29.957 1.00 20.27 O +ATOM 616 CB LEU A 83 28.647 46.397 31.158 1.00 21.31 C +ATOM 617 CG LEU A 83 29.913 46.836 31.911 1.00 22.33 C +ATOM 618 CD1 LEU A 83 30.399 45.707 32.742 1.00 23.77 C +ATOM 619 CD2 LEU A 83 30.969 47.306 30.942 1.00 21.58 C +ATOM 620 N ASP A 84 26.821 47.301 28.234 1.00 21.73 N +ATOM 621 CA ASP A 84 25.834 46.813 27.329 1.00 18.60 C +ATOM 622 C ASP A 84 26.538 45.908 26.331 1.00 19.76 C +ATOM 623 O ASP A 84 27.279 46.353 25.444 1.00 26.97 O +ATOM 624 CB ASP A 84 25.219 48.071 26.753 1.00 20.18 C +ATOM 625 CG ASP A 84 24.284 47.851 25.579 1.00 26.66 C +ATOM 626 OD1 ASP A 84 23.727 46.759 25.479 1.00 20.63 O +ATOM 627 OD2 ASP A 84 24.147 48.769 24.756 1.00 25.38 O +ATOM 628 N GLY A 85 26.338 44.610 26.441 1.00 18.28 N +ATOM 629 CA GLY A 85 26.933 43.697 25.483 1.00 20.17 C +ATOM 630 C GLY A 85 28.144 42.984 25.997 1.00 20.42 C +ATOM 631 O GLY A 85 28.746 42.135 25.324 1.00 24.43 O +ATOM 632 N PHE A 86 28.474 43.263 27.270 1.00 19.63 N +ATOM 633 CA PHE A 86 29.653 42.677 27.895 1.00 15.06 C +ATOM 634 C PHE A 86 29.300 42.433 29.357 1.00 16.02 C +ATOM 635 O PHE A 86 28.662 43.281 29.948 1.00 17.35 O +ATOM 636 CB PHE A 86 30.850 43.633 27.792 1.00 16.51 C +ATOM 637 CG PHE A 86 32.110 43.083 28.429 1.00 19.92 C +ATOM 638 CD1 PHE A 86 32.380 43.279 29.780 1.00 19.32 C +ATOM 639 CD2 PHE A 86 32.982 42.320 27.685 1.00 18.32 C +ATOM 640 CE1 PHE A 86 33.516 42.701 30.345 1.00 23.56 C +ATOM 641 CE2 PHE A 86 34.127 41.744 28.271 1.00 24.09 C +ATOM 642 CZ PHE A 86 34.396 41.931 29.608 1.00 23.30 C +ATOM 643 N PRO A 87 29.637 41.373 30.042 1.00 17.31 N +ATOM 644 CA PRO A 87 30.201 40.135 29.493 1.00 14.20 C +ATOM 645 C PRO A 87 29.220 39.423 28.586 1.00 15.84 C +ATOM 646 O PRO A 87 28.004 39.540 28.685 1.00 15.08 O +ATOM 647 CB PRO A 87 30.562 39.298 30.721 1.00 17.79 C +ATOM 648 CG PRO A 87 29.514 39.755 31.754 1.00 19.99 C +ATOM 649 CD PRO A 87 29.467 41.275 31.506 1.00 22.58 C +ATOM 650 N ARG A 88 29.801 38.654 27.722 1.00 16.01 N +ATOM 651 CA ARG A 88 29.055 37.920 26.723 1.00 23.07 C +ATOM 652 C ARG A 88 29.382 36.436 26.897 1.00 20.65 C +ATOM 653 O ARG A 88 28.787 35.564 26.251 1.00 16.57 O +ATOM 654 CB ARG A 88 29.526 38.549 25.414 1.00 19.25 C +ATOM 655 CG ARG A 88 28.725 38.490 24.178 1.00 21.95 C +ATOM 656 CD ARG A 88 27.454 39.281 24.359 1.00 23.84 C +ATOM 657 NE ARG A 88 26.873 39.298 23.031 1.00 28.56 N +ATOM 658 CZ ARG A 88 26.792 40.409 22.295 1.00 28.06 C +ATOM 659 NH1 ARG A 88 27.107 41.605 22.798 1.00 21.46 N +ATOM 660 NH2 ARG A 88 26.328 40.311 21.053 1.00 22.33 N +ATOM 661 N THR A 89 30.404 36.096 27.685 1.00 17.94 N +ATOM 662 CA THR A 89 30.715 34.709 27.886 1.00 20.36 C +ATOM 663 C THR A 89 31.195 34.573 29.346 1.00 15.20 C +ATOM 664 O THR A 89 31.458 35.571 30.025 1.00 14.40 O +ATOM 665 CB THR A 89 31.822 34.210 26.905 1.00 19.18 C +ATOM 666 OG1 THR A 89 32.985 34.981 27.240 1.00 24.39 O +ATOM 667 CG2 THR A 89 31.513 34.326 25.412 1.00 17.68 C +ATOM 668 N ILE A 90 31.283 33.344 29.853 1.00 16.73 N +ATOM 669 CA ILE A 90 31.743 33.110 31.221 1.00 25.76 C +ATOM 670 C ILE A 90 33.216 33.563 31.349 1.00 21.33 C +ATOM 671 O ILE A 90 33.497 34.260 32.324 1.00 22.19 O +ATOM 672 CB ILE A 90 31.625 31.590 31.611 1.00 26.68 C +ATOM 673 CG1 ILE A 90 30.193 31.055 31.591 1.00 28.19 C +ATOM 674 CG2 ILE A 90 32.227 31.450 33.022 1.00 26.35 C +ATOM 675 CD1 ILE A 90 29.211 31.631 32.634 1.00 26.66 C +ATOM 676 N PRO A 91 34.212 33.299 30.483 1.00 16.51 N +ATOM 677 CA PRO A 91 35.535 33.921 30.568 1.00 17.02 C +ATOM 678 C PRO A 91 35.502 35.437 30.711 1.00 24.68 C +ATOM 679 O PRO A 91 36.288 35.971 31.495 1.00 24.46 O +ATOM 680 CB PRO A 91 36.242 33.526 29.317 1.00 20.92 C +ATOM 681 CG PRO A 91 35.677 32.159 29.063 1.00 23.66 C +ATOM 682 CD PRO A 91 34.181 32.354 29.365 1.00 18.59 C +ATOM 683 N GLN A 92 34.624 36.171 29.974 1.00 16.06 N +ATOM 684 CA GLN A 92 34.575 37.605 30.140 1.00 13.71 C +ATOM 685 C GLN A 92 34.007 37.921 31.517 1.00 15.94 C +ATOM 686 O GLN A 92 34.421 38.926 32.116 1.00 20.24 O +ATOM 687 CB GLN A 92 33.734 38.195 29.024 1.00 18.99 C +ATOM 688 CG GLN A 92 34.303 37.956 27.594 1.00 15.80 C +ATOM 689 CD GLN A 92 33.377 38.444 26.478 1.00 15.95 C +ATOM 690 OE1 GLN A 92 32.493 39.288 26.669 1.00 14.11 O +ATOM 691 NE2 GLN A 92 33.519 37.974 25.252 1.00 14.69 N +ATOM 692 N ALA A 93 33.089 37.118 32.100 1.00 17.91 N +ATOM 693 CA ALA A 93 32.541 37.446 33.423 1.00 23.88 C +ATOM 694 C ALA A 93 33.605 37.178 34.477 1.00 16.87 C +ATOM 695 O ALA A 93 33.790 37.986 35.396 1.00 18.41 O +ATOM 696 CB ALA A 93 31.308 36.594 33.760 1.00 23.17 C +ATOM 697 N ASP A 94 34.311 36.050 34.355 1.00 19.98 N +ATOM 698 CA ASP A 94 35.444 35.776 35.246 1.00 26.72 C +ATOM 699 C ASP A 94 36.510 36.853 35.215 1.00 28.05 C +ATOM 700 O ASP A 94 36.945 37.281 36.287 1.00 24.29 O +ATOM 701 CB ASP A 94 36.128 34.487 34.895 1.00 27.71 C +ATOM 702 CG ASP A 94 35.301 33.302 35.338 1.00 36.49 C +ATOM 703 OD1 ASP A 94 34.611 33.382 36.374 1.00 29.94 O +ATOM 704 OD2 ASP A 94 35.361 32.307 34.623 1.00 38.04 O +ATOM 705 N ALA A 95 36.870 37.362 34.022 1.00 21.73 N +ATOM 706 CA ALA A 95 37.851 38.413 33.908 1.00 22.58 C +ATOM 707 C ALA A 95 37.456 39.643 34.695 1.00 23.08 C +ATOM 708 O ALA A 95 38.316 40.287 35.305 1.00 22.24 O +ATOM 709 CB ALA A 95 38.030 38.801 32.439 1.00 30.84 C +ATOM 710 N MET A 96 36.171 40.029 34.687 1.00 25.96 N +ATOM 711 CA MET A 96 35.660 41.143 35.472 1.00 24.51 C +ATOM 712 C MET A 96 35.829 40.881 36.968 1.00 31.22 C +ATOM 713 O MET A 96 36.231 41.756 37.735 1.00 30.31 O +ATOM 714 CB MET A 96 34.193 41.341 35.189 1.00 29.30 C +ATOM 715 CG MET A 96 33.874 42.444 34.199 1.00 40.35 C +ATOM 716 SD MET A 96 32.075 42.465 33.950 1.00 42.93 S +ATOM 717 CE MET A 96 31.495 43.419 35.312 1.00 34.49 C +ATOM 718 N LYS A 97 35.579 39.630 37.360 1.00 37.96 N +ATOM 719 CA LYS A 97 35.733 39.148 38.737 1.00 45.23 C +ATOM 720 C LYS A 97 37.192 39.350 39.141 1.00 39.73 C +ATOM 721 O LYS A 97 37.472 40.257 39.920 1.00 35.21 O +ATOM 722 CB LYS A 97 35.355 37.656 38.817 1.00 47.93 C +ATOM 723 CG LYS A 97 34.564 37.502 40.078 1.00 60.44 C +ATOM 724 CD LYS A 97 33.783 36.222 40.196 1.00 65.76 C +ATOM 725 CE LYS A 97 33.050 36.502 41.498 1.00 74.61 C +ATOM 726 NZ LYS A 97 32.365 35.323 41.977 1.00 81.01 N +ATOM 727 N GLU A 98 38.122 38.596 38.530 1.00 38.69 N +ATOM 728 CA GLU A 98 39.569 38.768 38.720 1.00 38.07 C +ATOM 729 C GLU A 98 40.078 40.206 38.835 1.00 37.47 C +ATOM 730 O GLU A 98 40.993 40.501 39.623 1.00 39.85 O +ATOM 731 CB GLU A 98 40.337 38.096 37.566 1.00 35.66 C +ATOM 732 CG GLU A 98 40.135 36.609 37.434 1.00 35.33 C +ATOM 733 CD GLU A 98 40.527 35.822 38.674 1.00 51.96 C +ATOM 734 OE1 GLU A 98 39.691 35.639 39.568 1.00 52.83 O +ATOM 735 OE2 GLU A 98 41.678 35.379 38.736 1.00 63.50 O +ATOM 736 N ALA A 99 39.495 41.100 38.025 1.00 39.23 N +ATOM 737 CA ALA A 99 39.899 42.490 37.999 1.00 36.97 C +ATOM 738 C ALA A 99 39.206 43.370 39.028 1.00 30.71 C +ATOM 739 O ALA A 99 39.436 44.578 39.006 1.00 36.58 O +ATOM 740 CB ALA A 99 39.670 43.086 36.578 1.00 33.85 C +ATOM 741 N GLY A 100 38.375 42.922 39.962 1.00 36.48 N +ATOM 742 CA GLY A 100 37.775 43.860 40.924 1.00 35.17 C +ATOM 743 C GLY A 100 36.680 44.765 40.354 1.00 36.37 C +ATOM 744 O GLY A 100 36.431 45.866 40.852 1.00 39.36 O +ATOM 745 N ILE A 101 35.985 44.319 39.280 1.00 36.15 N +ATOM 746 CA ILE A 101 34.864 45.066 38.723 1.00 37.83 C +ATOM 747 C ILE A 101 33.614 44.296 39.115 1.00 39.43 C +ATOM 748 O ILE A 101 33.219 43.281 38.517 1.00 41.33 O +ATOM 749 CB ILE A 101 34.865 45.177 37.170 1.00 37.52 C +ATOM 750 CG1 ILE A 101 36.173 45.753 36.598 1.00 30.53 C +ATOM 751 CG2 ILE A 101 33.628 46.042 36.841 1.00 28.64 C +ATOM 752 CD1 ILE A 101 36.469 45.273 35.166 1.00 33.83 C +ATOM 753 N ASN A 102 33.039 44.800 40.182 1.00 40.13 N +ATOM 754 CA ASN A 102 31.793 44.278 40.733 1.00 43.69 C +ATOM 755 C ASN A 102 30.685 45.229 40.224 1.00 40.71 C +ATOM 756 O ASN A 102 30.982 46.365 39.806 1.00 34.57 O +ATOM 757 CB ASN A 102 31.854 44.260 42.290 1.00 39.88 C +ATOM 758 CG ASN A 102 32.154 45.659 42.838 1.00 53.51 C +ATOM 759 OD1 ASN A 102 33.249 46.185 42.565 1.00 51.52 O +ATOM 760 ND2 ASN A 102 31.246 46.346 43.552 1.00 57.38 N +ATOM 761 N VAL A 103 29.399 44.824 40.159 1.00 34.58 N +ATOM 762 CA VAL A 103 28.372 45.707 39.643 1.00 29.14 C +ATOM 763 C VAL A 103 27.271 45.729 40.658 1.00 25.58 C +ATOM 764 O VAL A 103 27.144 44.832 41.501 1.00 26.58 O +ATOM 765 CB VAL A 103 27.780 45.248 38.259 1.00 32.44 C +ATOM 766 CG1 VAL A 103 28.899 45.246 37.269 1.00 25.15 C +ATOM 767 CG2 VAL A 103 27.146 43.894 38.301 1.00 29.59 C +ATOM 768 N ASP A 104 26.464 46.759 40.530 1.00 25.82 N +ATOM 769 CA ASP A 104 25.332 46.877 41.404 1.00 24.56 C +ATOM 770 C ASP A 104 24.124 46.100 40.979 1.00 28.20 C +ATOM 771 O ASP A 104 23.498 45.493 41.846 1.00 21.75 O +ATOM 772 CB ASP A 104 24.986 48.303 41.522 1.00 29.61 C +ATOM 773 CG ASP A 104 26.128 49.007 42.261 1.00 39.01 C +ATOM 774 OD1 ASP A 104 26.394 48.723 43.441 1.00 40.49 O +ATOM 775 OD2 ASP A 104 26.773 49.834 41.630 1.00 31.93 O +ATOM 776 N TYR A 105 23.831 46.089 39.678 1.00 19.14 N +ATOM 777 CA TYR A 105 22.614 45.492 39.142 1.00 25.20 C +ATOM 778 C TYR A 105 22.931 44.745 37.883 1.00 25.41 C +ATOM 779 O TYR A 105 23.764 45.224 37.097 1.00 27.61 O +ATOM 780 CB TYR A 105 21.548 46.495 38.715 1.00 32.67 C +ATOM 781 CG TYR A 105 20.839 47.286 39.803 1.00 43.56 C +ATOM 782 CD1 TYR A 105 21.434 48.446 40.274 1.00 52.04 C +ATOM 783 CD2 TYR A 105 19.604 46.881 40.304 1.00 46.91 C +ATOM 784 CE1 TYR A 105 20.809 49.220 41.239 1.00 55.58 C +ATOM 785 CE2 TYR A 105 18.972 47.644 41.280 1.00 49.41 C +ATOM 786 CZ TYR A 105 19.583 48.816 41.737 1.00 57.41 C +ATOM 787 OH TYR A 105 18.989 49.616 42.708 1.00 63.15 O +ATOM 788 N VAL A 106 22.320 43.572 37.739 1.00 19.65 N +ATOM 789 CA VAL A 106 22.348 42.878 36.473 1.00 19.27 C +ATOM 790 C VAL A 106 20.870 42.849 36.044 1.00 21.52 C +ATOM 791 O VAL A 106 19.967 42.515 36.823 1.00 21.79 O +ATOM 792 CB VAL A 106 22.942 41.493 36.681 1.00 14.46 C +ATOM 793 CG1 VAL A 106 22.901 40.759 35.332 1.00 17.52 C +ATOM 794 CG2 VAL A 106 24.412 41.568 37.146 1.00 21.05 C +ATOM 795 N LEU A 107 20.543 43.290 34.837 1.00 19.73 N +ATOM 796 CA LEU A 107 19.163 43.331 34.358 1.00 20.88 C +ATOM 797 C LEU A 107 19.072 42.441 33.134 1.00 23.74 C +ATOM 798 O LEU A 107 19.839 42.522 32.166 1.00 20.53 O +ATOM 799 CB LEU A 107 18.781 44.770 34.012 1.00 25.86 C +ATOM 800 CG LEU A 107 19.037 45.845 35.123 1.00 26.90 C +ATOM 801 CD1 LEU A 107 18.745 47.167 34.547 1.00 23.91 C +ATOM 802 CD2 LEU A 107 18.136 45.687 36.346 1.00 28.78 C +ATOM 803 N GLU A 108 18.168 41.477 33.207 1.00 22.08 N +ATOM 804 CA GLU A 108 17.976 40.535 32.145 1.00 18.27 C +ATOM 805 C GLU A 108 16.739 41.024 31.406 1.00 20.53 C +ATOM 806 O GLU A 108 15.736 41.348 32.022 1.00 24.69 O +ATOM 807 CB GLU A 108 17.795 39.197 32.772 1.00 17.12 C +ATOM 808 CG GLU A 108 17.479 38.112 31.769 1.00 23.19 C +ATOM 809 CD GLU A 108 16.878 36.862 32.373 1.00 29.16 C +ATOM 810 OE1 GLU A 108 16.949 36.652 33.582 1.00 26.95 O +ATOM 811 OE2 GLU A 108 16.327 36.092 31.607 1.00 28.40 O +ATOM 812 N PHE A 109 16.860 41.159 30.095 1.00 16.76 N +ATOM 813 CA PHE A 109 15.795 41.545 29.219 1.00 16.96 C +ATOM 814 C PHE A 109 15.347 40.241 28.577 1.00 20.60 C +ATOM 815 O PHE A 109 16.033 39.691 27.704 1.00 21.91 O +ATOM 816 CB PHE A 109 16.303 42.506 28.144 1.00 19.38 C +ATOM 817 CG PHE A 109 16.534 43.943 28.597 1.00 29.84 C +ATOM 818 CD1 PHE A 109 17.292 44.250 29.712 1.00 28.76 C +ATOM 819 CD2 PHE A 109 15.962 44.982 27.878 1.00 39.45 C +ATOM 820 CE1 PHE A 109 17.484 45.555 30.122 1.00 21.86 C +ATOM 821 CE2 PHE A 109 16.160 46.290 28.294 1.00 37.45 C +ATOM 822 CZ PHE A 109 16.916 46.586 29.411 1.00 29.73 C +ATOM 823 N ASP A 110 14.196 39.690 28.948 1.00 18.29 N +ATOM 824 CA ASP A 110 13.724 38.460 28.356 1.00 21.38 C +ATOM 825 C ASP A 110 12.796 38.645 27.163 1.00 17.73 C +ATOM 826 O ASP A 110 11.750 39.309 27.235 1.00 19.51 O +ATOM 827 CB ASP A 110 13.057 37.683 29.461 1.00 20.74 C +ATOM 828 CG ASP A 110 12.395 36.407 28.943 1.00 39.61 C +ATOM 829 OD1 ASP A 110 13.069 35.651 28.223 1.00 44.65 O +ATOM 830 OD2 ASP A 110 11.211 36.195 29.261 1.00 42.80 O +ATOM 831 N VAL A 111 13.115 38.026 26.066 1.00 13.74 N +ATOM 832 CA VAL A 111 12.261 38.125 24.898 1.00 18.33 C +ATOM 833 C VAL A 111 12.190 36.725 24.317 1.00 23.62 C +ATOM 834 O VAL A 111 13.216 36.063 24.352 1.00 27.92 O +ATOM 835 CB VAL A 111 12.903 39.113 23.915 1.00 26.33 C +ATOM 836 CG1 VAL A 111 12.176 39.180 22.613 1.00 33.87 C +ATOM 837 CG2 VAL A 111 12.652 40.546 24.393 1.00 27.91 C +ATOM 838 N PRO A 112 11.100 36.192 23.795 1.00 18.89 N +ATOM 839 CA PRO A 112 11.073 34.932 23.064 1.00 23.18 C +ATOM 840 C PRO A 112 11.931 34.951 21.804 1.00 22.44 C +ATOM 841 O PRO A 112 11.936 35.964 21.097 1.00 24.36 O +ATOM 842 CB PRO A 112 9.604 34.695 22.743 1.00 19.78 C +ATOM 843 CG PRO A 112 8.875 35.631 23.655 1.00 20.79 C +ATOM 844 CD PRO A 112 9.794 36.808 23.854 1.00 18.21 C +ATOM 845 N ASP A 113 12.616 33.862 21.441 1.00 21.33 N +ATOM 846 CA ASP A 113 13.347 33.748 20.186 1.00 21.15 C +ATOM 847 C ASP A 113 12.584 34.097 18.926 1.00 20.23 C +ATOM 848 O ASP A 113 13.097 34.687 18.000 1.00 16.45 O +ATOM 849 CB ASP A 113 13.861 32.342 19.980 1.00 32.08 C +ATOM 850 CG ASP A 113 15.006 31.883 20.899 1.00 36.08 C +ATOM 851 OD1 ASP A 113 15.672 32.736 21.459 1.00 28.01 O +ATOM 852 OD2 ASP A 113 15.240 30.674 21.052 1.00 46.72 O +ATOM 853 N GLU A 114 11.311 33.801 18.881 1.00 21.14 N +ATOM 854 CA GLU A 114 10.481 34.000 17.694 1.00 21.97 C +ATOM 855 C GLU A 114 10.252 35.458 17.333 1.00 23.20 C +ATOM 856 O GLU A 114 9.862 35.766 16.207 1.00 23.38 O +ATOM 857 CB GLU A 114 9.111 33.311 17.908 1.00 20.25 C +ATOM 858 CG GLU A 114 9.285 31.800 18.061 1.00 16.29 C +ATOM 859 CD GLU A 114 9.575 31.249 19.445 1.00 27.80 C +ATOM 860 OE1 GLU A 114 9.790 31.988 20.409 1.00 25.25 O +ATOM 861 OE2 GLU A 114 9.547 30.034 19.574 1.00 35.12 O +ATOM 862 N LEU A 115 10.447 36.399 18.260 1.00 18.48 N +ATOM 863 CA LEU A 115 10.260 37.817 17.934 1.00 22.63 C +ATOM 864 C LEU A 115 11.520 38.459 17.358 1.00 17.14 C +ATOM 865 O LEU A 115 11.445 39.577 16.853 1.00 22.09 O +ATOM 866 CB LEU A 115 9.894 38.618 19.183 1.00 16.50 C +ATOM 867 CG LEU A 115 8.447 38.724 19.632 1.00 26.94 C +ATOM 868 CD1 LEU A 115 7.704 37.409 19.736 1.00 22.97 C +ATOM 869 CD2 LEU A 115 8.535 39.366 21.024 1.00 19.62 C +ATOM 870 N ILE A 116 12.688 37.820 17.416 1.00 13.97 N +ATOM 871 CA ILE A 116 13.933 38.508 17.208 1.00 9.74 C +ATOM 872 C ILE A 116 14.128 38.875 15.783 1.00 15.70 C +ATOM 873 O ILE A 116 14.512 40.022 15.543 1.00 18.13 O +ATOM 874 CB ILE A 116 15.118 37.648 17.676 1.00 16.67 C +ATOM 875 CG1 ILE A 116 15.038 37.342 19.166 1.00 25.20 C +ATOM 876 CG2 ILE A 116 16.410 38.405 17.515 1.00 20.38 C +ATOM 877 CD1 ILE A 116 14.720 38.497 20.100 1.00 34.08 C +ATOM 878 N VAL A 117 13.897 37.966 14.832 1.00 16.33 N +ATOM 879 CA VAL A 117 14.225 38.291 13.469 1.00 16.71 C +ATOM 880 C VAL A 117 13.446 39.514 12.993 1.00 21.91 C +ATOM 881 O VAL A 117 14.126 40.388 12.436 1.00 28.27 O +ATOM 882 CB VAL A 117 13.999 37.013 12.648 1.00 21.49 C +ATOM 883 CG1 VAL A 117 13.955 37.307 11.153 1.00 26.80 C +ATOM 884 CG2 VAL A 117 15.191 36.083 12.902 1.00 22.62 C +ATOM 885 N ASP A 118 12.133 39.750 13.252 1.00 27.52 N +ATOM 886 CA ASP A 118 11.453 40.992 12.840 1.00 26.18 C +ATOM 887 C ASP A 118 11.855 42.240 13.570 1.00 33.69 C +ATOM 888 O ASP A 118 11.803 43.327 12.976 1.00 32.99 O +ATOM 889 CB ASP A 118 9.956 40.872 12.967 1.00 40.16 C +ATOM 890 CG ASP A 118 9.362 39.878 11.975 1.00 52.51 C +ATOM 891 OD1 ASP A 118 9.972 39.579 10.941 1.00 60.07 O +ATOM 892 OD2 ASP A 118 8.263 39.402 12.240 1.00 65.46 O +ATOM 893 N ARG A 119 12.271 42.147 14.844 1.00 24.50 N +ATOM 894 CA ARG A 119 12.823 43.313 15.486 1.00 30.39 C +ATOM 895 C ARG A 119 14.023 43.741 14.703 1.00 32.84 C +ATOM 896 O ARG A 119 14.076 44.882 14.235 1.00 43.09 O +ATOM 897 CB ARG A 119 13.349 43.091 16.885 1.00 24.69 C +ATOM 898 CG ARG A 119 12.147 43.270 17.709 1.00 17.45 C +ATOM 899 CD ARG A 119 12.614 43.243 19.102 1.00 16.60 C +ATOM 900 NE ARG A 119 11.421 43.252 19.890 1.00 12.44 N +ATOM 901 CZ ARG A 119 11.441 43.334 21.207 1.00 16.89 C +ATOM 902 NH1 ARG A 119 12.549 43.550 21.878 1.00 14.06 N +ATOM 903 NH2 ARG A 119 10.279 43.260 21.851 1.00 25.25 N +ATOM 904 N ILE A 120 14.928 42.797 14.446 1.00 26.70 N +ATOM 905 CA ILE A 120 16.144 43.201 13.823 1.00 22.95 C +ATOM 906 C ILE A 120 15.993 43.613 12.372 1.00 21.07 C +ATOM 907 O ILE A 120 16.753 44.515 12.019 1.00 20.97 O +ATOM 908 CB ILE A 120 17.173 42.082 14.081 1.00 23.49 C +ATOM 909 CG1 ILE A 120 17.584 42.257 15.571 1.00 26.12 C +ATOM 910 CG2 ILE A 120 18.409 42.194 13.267 1.00 20.91 C +ATOM 911 CD1 ILE A 120 18.641 41.390 16.229 1.00 29.96 C +ATOM 912 N VAL A 121 15.022 43.213 11.561 1.00 17.44 N +ATOM 913 CA VAL A 121 14.990 43.687 10.181 1.00 25.51 C +ATOM 914 C VAL A 121 14.486 45.127 10.063 1.00 27.87 C +ATOM 915 O VAL A 121 14.749 45.831 9.069 1.00 29.46 O +ATOM 916 CB VAL A 121 14.109 42.771 9.195 1.00 29.84 C +ATOM 917 CG1 VAL A 121 14.722 41.392 9.259 1.00 31.89 C +ATOM 918 CG2 VAL A 121 12.609 42.770 9.486 1.00 29.22 C +ATOM 919 N GLY A 122 13.725 45.594 11.052 1.00 23.01 N +ATOM 920 CA GLY A 122 13.285 46.970 11.062 1.00 20.28 C +ATOM 921 C GLY A 122 14.309 47.830 11.795 1.00 22.81 C +ATOM 922 O GLY A 122 14.030 49.017 11.944 1.00 19.95 O +ATOM 923 N ARG A 123 15.453 47.336 12.286 1.00 16.72 N +ATOM 924 CA ARG A 123 16.370 48.198 12.993 1.00 16.86 C +ATOM 925 C ARG A 123 17.171 49.081 12.041 1.00 20.28 C +ATOM 926 O ARG A 123 17.626 48.652 10.981 1.00 20.03 O +ATOM 927 CB ARG A 123 17.314 47.379 13.834 1.00 12.78 C +ATOM 928 CG ARG A 123 18.432 48.166 14.505 1.00 13.69 C +ATOM 929 CD ARG A 123 19.062 47.450 15.704 1.00 19.15 C +ATOM 930 NE ARG A 123 19.820 46.254 15.332 1.00 18.77 N +ATOM 931 CZ ARG A 123 20.399 45.419 16.211 1.00 20.69 C +ATOM 932 NH1 ARG A 123 20.319 45.627 17.515 1.00 23.25 N +ATOM 933 NH2 ARG A 123 21.068 44.353 15.795 1.00 17.61 N +ATOM 934 N ARG A 124 17.329 50.354 12.446 1.00 20.44 N +ATOM 935 CA ARG A 124 18.075 51.418 11.759 1.00 21.94 C +ATOM 936 C ARG A 124 18.848 52.144 12.874 1.00 16.05 C +ATOM 937 O ARG A 124 18.380 52.374 14.014 1.00 19.24 O +ATOM 938 CB ARG A 124 17.102 52.390 11.080 1.00 21.22 C +ATOM 939 CG ARG A 124 16.056 51.719 10.134 1.00 19.93 C +ATOM 940 CD ARG A 124 16.756 51.250 8.837 1.00 25.72 C +ATOM 941 NE ARG A 124 15.849 50.731 7.802 1.00 26.35 N +ATOM 942 CZ ARG A 124 15.457 49.451 7.820 1.00 31.92 C +ATOM 943 NH1 ARG A 124 15.860 48.603 8.760 1.00 24.37 N +ATOM 944 NH2 ARG A 124 14.671 48.979 6.874 1.00 28.82 N +ATOM 945 N VAL A 125 20.088 52.483 12.559 1.00 18.98 N +ATOM 946 CA VAL A 125 20.966 53.077 13.531 1.00 20.59 C +ATOM 947 C VAL A 125 21.605 54.366 12.987 1.00 20.40 C +ATOM 948 O VAL A 125 21.692 54.631 11.783 1.00 18.82 O +ATOM 949 CB VAL A 125 22.074 52.053 13.931 1.00 19.00 C +ATOM 950 CG1 VAL A 125 21.467 50.733 14.377 1.00 22.11 C +ATOM 951 CG2 VAL A 125 22.950 51.736 12.737 1.00 23.07 C +ATOM 952 N HIS A 126 21.928 55.220 13.949 1.00 17.05 N +ATOM 953 CA HIS A 126 22.804 56.339 13.735 1.00 21.64 C +ATOM 954 C HIS A 126 24.189 55.862 14.226 1.00 19.30 C +ATOM 955 O HIS A 126 24.537 55.932 15.416 1.00 23.61 O +ATOM 956 CB HIS A 126 22.295 57.498 14.554 1.00 21.63 C +ATOM 957 CG HIS A 126 23.213 58.665 14.288 1.00 26.08 C +ATOM 958 ND1 HIS A 126 23.867 59.380 15.198 1.00 22.48 N +ATOM 959 CD2 HIS A 126 23.473 59.169 13.019 1.00 22.91 C +ATOM 960 CE1 HIS A 126 24.521 60.319 14.545 1.00 21.17 C +ATOM 961 NE2 HIS A 126 24.272 60.172 13.258 1.00 28.56 N +ATOM 962 N ALA A 127 25.066 55.475 13.319 1.00 24.92 N +ATOM 963 CA ALA A 127 26.322 54.841 13.688 1.00 27.42 C +ATOM 964 C ALA A 127 27.277 55.648 14.511 1.00 35.22 C +ATOM 965 O ALA A 127 27.802 55.137 15.509 1.00 40.67 O +ATOM 966 CB ALA A 127 27.041 54.387 12.447 1.00 26.91 C +ATOM 967 N PRO A 128 27.458 56.954 14.262 1.00 40.32 N +ATOM 968 CA PRO A 128 28.355 57.764 15.058 1.00 35.72 C +ATOM 969 C PRO A 128 27.943 57.745 16.524 1.00 39.27 C +ATOM 970 O PRO A 128 28.805 57.752 17.407 1.00 46.54 O +ATOM 971 CB PRO A 128 28.277 59.143 14.438 1.00 36.83 C +ATOM 972 CG PRO A 128 27.812 58.895 13.050 1.00 36.86 C +ATOM 973 CD PRO A 128 26.822 57.781 13.235 1.00 36.44 C +ATOM 974 N SER A 129 26.656 57.667 16.849 1.00 35.27 N +ATOM 975 CA SER A 129 26.333 57.776 18.239 1.00 23.47 C +ATOM 976 C SER A 129 25.926 56.464 18.824 1.00 32.54 C +ATOM 977 O SER A 129 25.808 56.334 20.061 1.00 35.53 O +ATOM 978 CB SER A 129 25.223 58.760 18.417 1.00 30.16 C +ATOM 979 OG SER A 129 24.044 58.377 17.705 1.00 35.12 O +ATOM 980 N GLY A 130 25.612 55.532 17.923 1.00 26.18 N +ATOM 981 CA GLY A 130 25.086 54.264 18.402 1.00 31.57 C +ATOM 982 C GLY A 130 23.598 54.425 18.751 1.00 32.35 C +ATOM 983 O GLY A 130 23.027 53.495 19.323 1.00 34.98 O +ATOM 984 N ARG A 131 22.885 55.539 18.455 1.00 30.74 N +ATOM 985 CA ARG A 131 21.452 55.561 18.766 1.00 23.71 C +ATOM 986 C ARG A 131 20.753 54.602 17.792 1.00 24.28 C +ATOM 987 O ARG A 131 21.124 54.515 16.607 1.00 21.25 O +ATOM 988 CB ARG A 131 20.834 56.943 18.600 1.00 22.87 C +ATOM 989 CG ARG A 131 21.186 57.787 19.786 1.00 25.33 C +ATOM 990 CD ARG A 131 20.561 59.179 19.746 1.00 31.06 C +ATOM 991 NE ARG A 131 21.221 59.976 18.723 1.00 30.64 N +ATOM 992 CZ ARG A 131 22.354 60.630 18.959 1.00 29.68 C +ATOM 993 NH1 ARG A 131 22.938 60.617 20.160 1.00 30.29 N +ATOM 994 NH2 ARG A 131 22.908 61.281 17.947 1.00 23.08 N +ATOM 995 N VAL A 132 19.743 53.897 18.296 1.00 24.42 N +ATOM 996 CA VAL A 132 18.996 52.896 17.538 1.00 19.01 C +ATOM 997 C VAL A 132 17.477 53.158 17.515 1.00 13.30 C +ATOM 998 O VAL A 132 16.814 53.564 18.478 1.00 14.89 O +ATOM 999 CB VAL A 132 19.419 51.464 18.159 1.00 27.21 C +ATOM 1000 CG1 VAL A 132 19.165 51.388 19.655 1.00 27.91 C +ATOM 1001 CG2 VAL A 132 18.586 50.364 17.565 1.00 24.25 C +ATOM 1002 N TYR A 133 16.916 52.890 16.343 1.00 15.85 N +ATOM 1003 CA TYR A 133 15.513 53.093 16.026 1.00 21.52 C +ATOM 1004 C TYR A 133 14.915 51.820 15.394 1.00 20.47 C +ATOM 1005 O TYR A 133 15.625 50.920 14.954 1.00 18.64 O +ATOM 1006 CB TYR A 133 15.433 54.267 15.027 1.00 25.21 C +ATOM 1007 CG TYR A 133 16.013 55.579 15.528 1.00 27.60 C +ATOM 1008 CD1 TYR A 133 15.224 56.455 16.286 1.00 25.53 C +ATOM 1009 CD2 TYR A 133 17.316 55.908 15.188 1.00 22.73 C +ATOM 1010 CE1 TYR A 133 15.785 57.673 16.667 1.00 30.03 C +ATOM 1011 CE2 TYR A 133 17.887 57.132 15.588 1.00 24.54 C +ATOM 1012 CZ TYR A 133 17.104 58.005 16.323 1.00 24.88 C +ATOM 1013 OH TYR A 133 17.628 59.229 16.733 1.00 25.95 O +ATOM 1014 N HIS A 134 13.592 51.753 15.260 1.00 20.27 N +ATOM 1015 CA HIS A 134 12.920 50.671 14.575 1.00 19.40 C +ATOM 1016 C HIS A 134 11.872 51.327 13.699 1.00 18.72 C +ATOM 1017 O HIS A 134 11.007 52.053 14.215 1.00 17.83 O +ATOM 1018 CB HIS A 134 12.210 49.730 15.557 1.00 15.32 C +ATOM 1019 CG HIS A 134 11.706 48.501 14.821 1.00 21.13 C +ATOM 1020 ND1 HIS A 134 10.556 48.276 14.167 1.00 22.51 N +ATOM 1021 CD2 HIS A 134 12.468 47.369 14.712 1.00 18.02 C +ATOM 1022 CE1 HIS A 134 10.613 47.062 13.668 1.00 22.98 C +ATOM 1023 NE2 HIS A 134 11.757 46.532 13.999 1.00 24.90 N +ATOM 1024 N VAL A 135 11.820 50.979 12.420 1.00 21.45 N +ATOM 1025 CA VAL A 135 10.854 51.600 11.529 1.00 24.32 C +ATOM 1026 C VAL A 135 9.394 51.546 11.945 1.00 32.49 C +ATOM 1027 O VAL A 135 8.615 52.427 11.555 1.00 33.83 O +ATOM 1028 CB VAL A 135 10.957 51.010 10.116 1.00 24.25 C +ATOM 1029 CG1 VAL A 135 12.323 51.398 9.568 1.00 29.33 C +ATOM 1030 CG2 VAL A 135 10.715 49.521 10.097 1.00 26.30 C +ATOM 1031 N LYS A 136 9.031 50.478 12.695 1.00 33.22 N +ATOM 1032 CA LYS A 136 7.667 50.304 13.237 1.00 34.28 C +ATOM 1033 C LYS A 136 7.568 50.589 14.724 1.00 30.05 C +ATOM 1034 O LYS A 136 6.735 51.363 15.188 1.00 32.74 O +ATOM 1035 CB LYS A 136 7.130 48.860 13.071 1.00 33.43 C +ATOM 1036 CG LYS A 136 7.245 48.246 11.697 1.00 45.05 C +ATOM 1037 CD LYS A 136 6.950 46.762 11.781 1.00 55.68 C +ATOM 1038 CE LYS A 136 6.657 46.207 10.383 1.00 62.38 C +ATOM 1039 NZ LYS A 136 6.469 44.763 10.438 1.00 70.97 N +ATOM 1040 N PHE A 137 8.501 50.023 15.507 1.00 27.80 N +ATOM 1041 CA PHE A 137 8.263 49.977 16.941 1.00 23.96 C +ATOM 1042 C PHE A 137 8.764 51.187 17.679 1.00 23.18 C +ATOM 1043 O PHE A 137 8.381 51.422 18.832 1.00 27.47 O +ATOM 1044 CB PHE A 137 8.914 48.710 17.552 1.00 22.50 C +ATOM 1045 CG PHE A 137 8.346 47.450 16.934 1.00 32.69 C +ATOM 1046 CD1 PHE A 137 6.992 47.346 16.631 1.00 36.01 C +ATOM 1047 CD2 PHE A 137 9.194 46.386 16.624 1.00 36.10 C +ATOM 1048 CE1 PHE A 137 6.489 46.191 16.029 1.00 37.80 C +ATOM 1049 CE2 PHE A 137 8.688 45.235 16.023 1.00 35.51 C +ATOM 1050 CZ PHE A 137 7.333 45.131 15.713 1.00 32.08 C +ATOM 1051 N ASN A 138 9.642 51.947 17.056 1.00 20.34 N +ATOM 1052 CA ASN A 138 10.221 53.056 17.749 1.00 23.14 C +ATOM 1053 C ASN A 138 10.871 53.923 16.696 1.00 25.33 C +ATOM 1054 O ASN A 138 12.104 54.056 16.622 1.00 24.22 O +ATOM 1055 CB ASN A 138 11.246 52.544 18.729 1.00 25.40 C +ATOM 1056 CG ASN A 138 11.698 53.585 19.740 1.00 30.80 C +ATOM 1057 OD1 ASN A 138 12.777 53.462 20.329 1.00 31.43 O +ATOM 1058 ND2 ASN A 138 10.944 54.633 20.051 1.00 31.30 N +ATOM 1059 N PRO A 139 10.068 54.516 15.808 1.00 25.18 N +ATOM 1060 CA PRO A 139 10.584 55.204 14.637 1.00 26.60 C +ATOM 1061 C PRO A 139 11.249 56.549 14.973 1.00 28.04 C +ATOM 1062 O PRO A 139 10.957 57.118 16.053 1.00 20.41 O +ATOM 1063 CB PRO A 139 9.361 55.282 13.743 1.00 24.06 C +ATOM 1064 CG PRO A 139 8.226 55.412 14.673 1.00 25.14 C +ATOM 1065 CD PRO A 139 8.622 54.613 15.916 1.00 25.14 C +ATOM 1066 N PRO A 140 12.156 57.097 14.143 1.00 21.89 N +ATOM 1067 CA PRO A 140 12.639 58.484 14.325 1.00 24.94 C +ATOM 1068 C PRO A 140 11.489 59.513 14.106 1.00 32.79 C +ATOM 1069 O PRO A 140 10.477 59.167 13.475 1.00 33.82 O +ATOM 1070 CB PRO A 140 13.777 58.555 13.334 1.00 14.35 C +ATOM 1071 CG PRO A 140 13.249 57.750 12.177 1.00 18.38 C +ATOM 1072 CD PRO A 140 12.651 56.529 12.894 1.00 22.17 C +ATOM 1073 N LYS A 141 11.577 60.786 14.571 1.00 33.28 N +ATOM 1074 CA LYS A 141 10.533 61.820 14.450 1.00 28.49 C +ATOM 1075 C LYS A 141 10.428 62.236 13.006 1.00 20.79 C +ATOM 1076 O LYS A 141 9.377 62.640 12.524 1.00 34.52 O +ATOM 1077 CB LYS A 141 10.883 63.022 15.357 1.00 28.74 C +ATOM 1078 CG LYS A 141 10.754 62.565 16.817 1.00 28.76 C +ATOM 1079 CD LYS A 141 11.473 63.536 17.715 1.00 39.32 C +ATOM 1080 CE LYS A 141 11.519 63.023 19.151 1.00 53.53 C +ATOM 1081 NZ LYS A 141 12.323 63.885 20.020 1.00 60.63 N +ATOM 1082 N VAL A 142 11.505 62.114 12.251 1.00 20.02 N +ATOM 1083 CA VAL A 142 11.505 62.370 10.828 1.00 28.18 C +ATOM 1084 C VAL A 142 12.110 61.082 10.227 1.00 31.10 C +ATOM 1085 O VAL A 142 13.252 60.661 10.498 1.00 27.90 O +ATOM 1086 CB VAL A 142 12.377 63.646 10.539 1.00 28.28 C +ATOM 1087 CG1 VAL A 142 12.325 63.850 9.046 1.00 29.42 C +ATOM 1088 CG2 VAL A 142 11.957 64.872 11.407 1.00 26.80 C +ATOM 1089 N GLU A 143 11.321 60.416 9.410 1.00 31.49 N +ATOM 1090 CA GLU A 143 11.718 59.172 8.801 1.00 41.64 C +ATOM 1091 C GLU A 143 13.096 59.198 8.139 1.00 41.12 C +ATOM 1092 O GLU A 143 13.448 60.073 7.340 1.00 44.60 O +ATOM 1093 CB GLU A 143 10.606 58.810 7.824 1.00 53.24 C +ATOM 1094 CG GLU A 143 10.749 57.508 7.007 1.00 73.66 C +ATOM 1095 CD GLU A 143 9.483 57.011 6.281 1.00 82.01 C +ATOM 1096 OE1 GLU A 143 8.626 57.820 5.890 1.00 83.52 O +ATOM 1097 OE2 GLU A 143 9.362 55.790 6.107 1.00 87.59 O +ATOM 1098 N GLY A 144 13.927 58.251 8.571 1.00 38.69 N +ATOM 1099 CA GLY A 144 15.260 58.064 8.028 1.00 23.85 C +ATOM 1100 C GLY A 144 16.320 58.957 8.633 1.00 24.25 C +ATOM 1101 O GLY A 144 17.474 58.897 8.193 1.00 25.77 O +ATOM 1102 N LYS A 145 16.033 59.770 9.638 1.00 26.01 N +ATOM 1103 CA LYS A 145 17.037 60.722 10.089 1.00 28.67 C +ATOM 1104 C LYS A 145 17.154 60.573 11.575 1.00 27.94 C +ATOM 1105 O LYS A 145 16.188 60.303 12.293 1.00 28.01 O +ATOM 1106 CB LYS A 145 16.659 62.186 9.822 1.00 27.19 C +ATOM 1107 CG LYS A 145 16.244 62.558 8.408 1.00 27.14 C +ATOM 1108 CD LYS A 145 17.425 62.505 7.529 1.00 24.35 C +ATOM 1109 CE LYS A 145 16.816 62.743 6.193 1.00 28.27 C +ATOM 1110 NZ LYS A 145 17.869 62.607 5.232 1.00 23.85 N +ATOM 1111 N ASP A 146 18.354 60.773 12.087 1.00 26.12 N +ATOM 1112 CA ASP A 146 18.527 60.716 13.497 1.00 28.76 C +ATOM 1113 C ASP A 146 17.902 61.992 14.096 1.00 30.04 C +ATOM 1114 O ASP A 146 18.118 63.080 13.573 1.00 34.21 O +ATOM 1115 CB ASP A 146 20.019 60.587 13.695 1.00 23.57 C +ATOM 1116 CG ASP A 146 20.437 60.730 15.135 1.00 28.55 C +ATOM 1117 OD1 ASP A 146 20.070 59.919 15.991 1.00 28.50 O +ATOM 1118 OD2 ASP A 146 21.164 61.676 15.393 1.00 31.43 O +ATOM 1119 N ASP A 147 17.190 61.879 15.213 1.00 30.22 N +ATOM 1120 CA ASP A 147 16.517 62.933 15.961 1.00 35.16 C +ATOM 1121 C ASP A 147 17.370 64.106 16.391 1.00 41.54 C +ATOM 1122 O ASP A 147 16.985 65.266 16.259 1.00 47.42 O +ATOM 1123 CB ASP A 147 15.898 62.337 17.210 1.00 28.79 C +ATOM 1124 CG ASP A 147 14.693 61.426 16.990 1.00 26.78 C +ATOM 1125 OD1 ASP A 147 14.242 61.247 15.880 1.00 26.62 O +ATOM 1126 OD2 ASP A 147 14.187 60.871 17.943 1.00 33.87 O +ATOM 1127 N VAL A 148 18.572 63.785 16.853 1.00 38.44 N +ATOM 1128 CA VAL A 148 19.530 64.752 17.344 1.00 35.46 C +ATOM 1129 C VAL A 148 20.308 65.445 16.239 1.00 32.92 C +ATOM 1130 O VAL A 148 20.359 66.663 16.142 1.00 41.42 O +ATOM 1131 CB VAL A 148 20.453 63.990 18.325 1.00 36.53 C +ATOM 1132 CG1 VAL A 148 21.535 64.842 18.981 1.00 43.62 C +ATOM 1133 CG2 VAL A 148 19.558 63.529 19.462 1.00 33.95 C +ATOM 1134 N THR A 149 20.915 64.727 15.344 1.00 29.89 N +ATOM 1135 CA THR A 149 21.763 65.360 14.392 1.00 28.74 C +ATOM 1136 C THR A 149 21.109 65.528 13.059 1.00 33.15 C +ATOM 1137 O THR A 149 21.721 66.135 12.166 1.00 33.44 O +ATOM 1138 CB THR A 149 23.067 64.545 14.212 1.00 27.75 C +ATOM 1139 OG1 THR A 149 22.740 63.377 13.487 1.00 29.08 O +ATOM 1140 CG2 THR A 149 23.714 64.169 15.499 1.00 23.53 C +ATOM 1141 N GLY A 150 19.955 64.916 12.789 1.00 30.36 N +ATOM 1142 CA GLY A 150 19.389 65.023 11.444 1.00 26.99 C +ATOM 1143 C GLY A 150 20.135 64.251 10.365 1.00 25.62 C +ATOM 1144 O GLY A 150 19.877 64.351 9.159 1.00 29.50 O +ATOM 1145 N GLU A 151 21.081 63.418 10.801 1.00 30.76 N +ATOM 1146 CA GLU A 151 21.826 62.570 9.898 1.00 31.74 C +ATOM 1147 C GLU A 151 21.047 61.311 9.535 1.00 29.22 C +ATOM 1148 O GLU A 151 20.270 60.766 10.319 1.00 26.44 O +ATOM 1149 CB GLU A 151 23.117 62.205 10.560 1.00 35.83 C +ATOM 1150 CG GLU A 151 24.145 63.317 10.561 1.00 42.57 C +ATOM 1151 CD GLU A 151 25.317 63.047 11.493 1.00 52.40 C +ATOM 1152 OE1 GLU A 151 25.895 61.969 11.408 1.00 59.87 O +ATOM 1153 OE2 GLU A 151 25.664 63.907 12.303 1.00 63.32 O +ATOM 1154 N GLU A 152 21.328 60.861 8.327 1.00 29.78 N +ATOM 1155 CA GLU A 152 20.683 59.723 7.720 1.00 40.41 C +ATOM 1156 C GLU A 152 20.987 58.437 8.522 1.00 41.63 C +ATOM 1157 O GLU A 152 22.117 58.203 9.003 1.00 47.05 O +ATOM 1158 CB GLU A 152 21.194 59.697 6.283 1.00 39.69 C +ATOM 1159 CG GLU A 152 20.390 58.891 5.261 1.00 52.14 C +ATOM 1160 CD GLU A 152 19.048 59.446 4.773 1.00 56.13 C +ATOM 1161 OE1 GLU A 152 18.109 59.534 5.550 1.00 54.04 O +ATOM 1162 OE2 GLU A 152 18.918 59.765 3.590 1.00 67.86 O +ATOM 1163 N LEU A 153 19.934 57.666 8.790 1.00 33.23 N +ATOM 1164 CA LEU A 153 20.090 56.412 9.516 1.00 33.73 C +ATOM 1165 C LEU A 153 20.514 55.309 8.534 1.00 37.08 C +ATOM 1166 O LEU A 153 20.252 55.401 7.326 1.00 35.21 O +ATOM 1167 CB LEU A 153 18.781 56.079 10.188 1.00 25.04 C +ATOM 1168 CG LEU A 153 18.374 57.112 11.221 1.00 19.61 C +ATOM 1169 CD1 LEU A 153 17.029 56.729 11.739 1.00 22.29 C +ATOM 1170 CD2 LEU A 153 19.407 57.231 12.302 1.00 19.25 C +ATOM 1171 N THR A 154 21.202 54.249 8.973 1.00 32.66 N +ATOM 1172 CA THR A 154 21.658 53.190 8.095 1.00 25.57 C +ATOM 1173 C THR A 154 21.204 51.862 8.721 1.00 28.71 C +ATOM 1174 O THR A 154 20.647 51.837 9.850 1.00 22.81 O +ATOM 1175 CB THR A 154 23.240 53.250 7.944 1.00 24.18 C +ATOM 1176 OG1 THR A 154 23.887 53.318 9.212 1.00 25.95 O +ATOM 1177 CG2 THR A 154 23.697 54.526 7.287 1.00 32.42 C +ATOM 1178 N THR A 155 21.420 50.764 7.992 1.00 22.86 N +ATOM 1179 CA THR A 155 21.171 49.444 8.553 1.00 29.13 C +ATOM 1180 C THR A 155 22.511 48.807 8.882 1.00 23.46 C +ATOM 1181 O THR A 155 23.544 49.124 8.298 1.00 33.84 O +ATOM 1182 CB THR A 155 20.398 48.630 7.547 1.00 23.33 C +ATOM 1183 OG1 THR A 155 21.165 48.608 6.369 1.00 36.29 O +ATOM 1184 CG2 THR A 155 19.135 49.291 7.127 1.00 26.67 C +ATOM 1185 N ARG A 156 22.602 47.980 9.890 1.00 24.19 N +ATOM 1186 CA ARG A 156 23.818 47.270 10.158 1.00 29.74 C +ATOM 1187 C ARG A 156 23.937 46.129 9.152 1.00 30.49 C +ATOM 1188 O ARG A 156 22.965 45.487 8.692 1.00 25.60 O +ATOM 1189 CB ARG A 156 23.770 46.767 11.585 1.00 29.92 C +ATOM 1190 CG ARG A 156 24.197 47.879 12.528 1.00 29.70 C +ATOM 1191 CD ARG A 156 24.163 47.484 13.977 1.00 32.72 C +ATOM 1192 NE ARG A 156 24.554 46.097 14.182 1.00 23.91 N +ATOM 1193 CZ ARG A 156 24.321 45.507 15.337 1.00 22.39 C +ATOM 1194 NH1 ARG A 156 23.810 46.190 16.331 1.00 18.90 N +ATOM 1195 NH2 ARG A 156 24.583 44.231 15.522 1.00 21.23 N +ATOM 1196 N LYS A 157 25.209 45.893 8.840 1.00 30.14 N +ATOM 1197 CA LYS A 157 25.618 44.885 7.852 1.00 36.32 C +ATOM 1198 C LYS A 157 25.246 43.470 8.313 1.00 34.85 C +ATOM 1199 O LYS A 157 24.904 42.622 7.505 1.00 29.40 O +ATOM 1200 CB LYS A 157 27.139 44.916 7.632 1.00 45.21 C +ATOM 1201 CG LYS A 157 27.925 46.171 7.166 1.00 66.21 C +ATOM 1202 CD LYS A 157 27.832 47.491 7.978 1.00 69.30 C +ATOM 1203 CE LYS A 157 28.295 47.435 9.433 1.00 67.90 C +ATOM 1204 NZ LYS A 157 27.330 48.130 10.268 1.00 59.59 N +ATOM 1205 N ASP A 158 25.330 43.207 9.631 1.00 27.72 N +ATOM 1206 CA ASP A 158 25.037 41.923 10.230 1.00 22.58 C +ATOM 1207 C ASP A 158 23.558 41.788 10.628 1.00 23.77 C +ATOM 1208 O ASP A 158 23.137 40.888 11.347 1.00 23.52 O +ATOM 1209 CB ASP A 158 26.023 41.808 11.400 1.00 18.63 C +ATOM 1210 CG ASP A 158 25.801 42.776 12.548 1.00 25.36 C +ATOM 1211 OD1 ASP A 158 25.283 43.851 12.308 1.00 23.75 O +ATOM 1212 OD2 ASP A 158 26.141 42.476 13.699 1.00 22.19 O +ATOM 1213 N ASP A 159 22.670 42.699 10.221 1.00 22.20 N +ATOM 1214 CA ASP A 159 21.262 42.561 10.522 1.00 22.82 C +ATOM 1215 C ASP A 159 20.494 42.016 9.332 1.00 33.97 C +ATOM 1216 O ASP A 159 19.650 42.689 8.724 1.00 48.79 O +ATOM 1217 CB ASP A 159 20.648 43.890 10.940 1.00 24.27 C +ATOM 1218 CG ASP A 159 21.002 44.350 12.347 1.00 25.38 C +ATOM 1219 OD1 ASP A 159 21.619 43.630 13.123 1.00 21.20 O +ATOM 1220 OD2 ASP A 159 20.672 45.479 12.638 1.00 21.21 O +ATOM 1221 N GLN A 160 20.899 40.828 8.874 1.00 44.86 N +ATOM 1222 CA GLN A 160 20.054 40.082 7.944 1.00 46.67 C +ATOM 1223 C GLN A 160 19.689 38.809 8.687 1.00 40.62 C +ATOM 1224 O GLN A 160 20.435 38.358 9.585 1.00 30.26 O +ATOM 1225 CB GLN A 160 20.728 39.640 6.676 1.00 58.15 C +ATOM 1226 CG GLN A 160 21.152 40.744 5.745 1.00 71.86 C +ATOM 1227 CD GLN A 160 22.649 40.914 5.852 1.00 83.20 C +ATOM 1228 OE1 GLN A 160 23.385 40.029 6.315 1.00 85.76 O +ATOM 1229 NE2 GLN A 160 23.142 42.076 5.456 1.00 94.35 N +ATOM 1230 N GLU A 161 18.553 38.261 8.255 1.00 33.46 N +ATOM 1231 CA GLU A 161 17.942 37.066 8.799 1.00 29.44 C +ATOM 1232 C GLU A 161 18.925 35.929 9.092 1.00 30.28 C +ATOM 1233 O GLU A 161 18.945 35.421 10.227 1.00 26.51 O +ATOM 1234 CB GLU A 161 16.920 36.733 7.795 1.00 32.95 C +ATOM 1235 CG GLU A 161 15.999 35.552 8.012 1.00 53.23 C +ATOM 1236 CD GLU A 161 14.748 35.661 7.126 1.00 67.25 C +ATOM 1237 OE1 GLU A 161 14.858 35.852 5.898 1.00 72.00 O +ATOM 1238 OE2 GLU A 161 13.649 35.573 7.684 1.00 71.74 O +ATOM 1239 N GLU A 162 19.847 35.559 8.181 1.00 25.87 N +ATOM 1240 CA GLU A 162 20.712 34.443 8.506 1.00 25.40 C +ATOM 1241 C GLU A 162 21.809 34.739 9.498 1.00 27.85 C +ATOM 1242 O GLU A 162 22.129 33.853 10.290 1.00 26.83 O +ATOM 1243 CB GLU A 162 21.297 33.885 7.242 1.00 38.07 C +ATOM 1244 CG GLU A 162 20.162 33.253 6.378 1.00 66.76 C +ATOM 1245 CD GLU A 162 19.068 32.377 7.051 1.00 77.76 C +ATOM 1246 OE1 GLU A 162 19.372 31.314 7.615 1.00 76.86 O +ATOM 1247 OE2 GLU A 162 17.891 32.766 6.989 1.00 82.71 O +ATOM 1248 N THR A 163 22.382 35.951 9.529 1.00 24.33 N +ATOM 1249 CA THR A 163 23.378 36.312 10.514 1.00 17.27 C +ATOM 1250 C THR A 163 22.699 36.426 11.855 1.00 14.23 C +ATOM 1251 O THR A 163 23.332 35.982 12.797 1.00 18.16 O +ATOM 1252 CB THR A 163 24.024 37.637 10.229 1.00 22.22 C +ATOM 1253 OG1 THR A 163 24.370 37.534 8.871 1.00 23.93 O +ATOM 1254 CG2 THR A 163 25.227 37.972 11.077 1.00 18.66 C +ATOM 1255 N VAL A 164 21.460 36.915 11.989 1.00 17.85 N +ATOM 1256 CA VAL A 164 20.732 36.952 13.256 1.00 20.38 C +ATOM 1257 C VAL A 164 20.535 35.509 13.773 1.00 18.27 C +ATOM 1258 O VAL A 164 20.627 35.211 14.964 1.00 15.67 O +ATOM 1259 CB VAL A 164 19.358 37.625 12.994 1.00 28.64 C +ATOM 1260 CG1 VAL A 164 18.500 37.663 14.231 1.00 25.70 C +ATOM 1261 CG2 VAL A 164 19.575 39.045 12.591 1.00 32.10 C +ATOM 1262 N ARG A 165 20.189 34.559 12.910 1.00 18.98 N +ATOM 1263 CA ARG A 165 20.001 33.162 13.347 1.00 21.55 C +ATOM 1264 C ARG A 165 21.249 32.540 13.966 1.00 22.72 C +ATOM 1265 O ARG A 165 21.232 31.882 15.043 1.00 23.45 O +ATOM 1266 CB ARG A 165 19.529 32.365 12.146 1.00 28.98 C +ATOM 1267 CG ARG A 165 18.077 32.631 12.181 1.00 42.85 C +ATOM 1268 CD ARG A 165 17.291 31.953 11.104 1.00 62.01 C +ATOM 1269 NE ARG A 165 15.902 32.196 11.468 1.00 80.24 N +ATOM 1270 CZ ARG A 165 14.909 32.325 10.581 1.00 88.22 C +ATOM 1271 NH1 ARG A 165 15.099 32.226 9.250 1.00 91.07 N +ATOM 1272 NH2 ARG A 165 13.692 32.568 11.074 1.00 91.78 N +ATOM 1273 N LYS A 166 22.365 32.880 13.294 1.00 16.12 N +ATOM 1274 CA LYS A 166 23.644 32.450 13.793 1.00 19.19 C +ATOM 1275 C LYS A 166 23.895 33.093 15.129 1.00 17.78 C +ATOM 1276 O LYS A 166 24.266 32.386 16.088 1.00 17.47 O +ATOM 1277 CB LYS A 166 24.755 32.828 12.834 1.00 32.39 C +ATOM 1278 CG LYS A 166 24.691 31.972 11.575 1.00 44.21 C +ATOM 1279 CD LYS A 166 25.711 32.369 10.502 1.00 56.21 C +ATOM 1280 CE LYS A 166 25.353 31.635 9.208 1.00 67.75 C +ATOM 1281 NZ LYS A 166 26.274 31.961 8.135 1.00 77.81 N +ATOM 1282 N ARG A 167 23.637 34.403 15.257 1.00 14.61 N +ATOM 1283 CA ARG A 167 23.859 35.071 16.525 1.00 15.89 C +ATOM 1284 C ARG A 167 22.992 34.466 17.608 1.00 16.26 C +ATOM 1285 O ARG A 167 23.486 34.362 18.729 1.00 16.68 O +ATOM 1286 CB ARG A 167 23.527 36.558 16.451 1.00 20.63 C +ATOM 1287 CG ARG A 167 24.499 37.362 15.615 1.00 19.15 C +ATOM 1288 CD AARG A 167 24.502 38.811 16.129 0.50 24.49 C +ATOM 1289 CD BARG A 167 24.690 38.671 16.294 0.50 23.17 C +ATOM 1290 NE AARG A 167 23.377 39.692 15.806 0.50 23.32 N +ATOM 1291 NE BARG A 167 23.697 39.706 16.111 0.50 24.59 N +ATOM 1292 CZ AARG A 167 23.342 40.399 14.676 0.50 16.77 C +ATOM 1293 CZ BARG A 167 23.245 40.509 17.085 0.50 23.03 C +ATOM 1294 NH1AARG A 167 24.181 40.144 13.699 0.50 27.31 N +ATOM 1295 NH1BARG A 167 23.482 40.319 18.402 0.50 27.91 N +ATOM 1296 NH2AARG A 167 22.424 41.308 14.455 0.50 5.51 N +ATOM 1297 NH2BARG A 167 22.409 41.488 16.714 0.50 18.45 N +ATOM 1298 N LEU A 168 21.736 34.060 17.339 1.00 18.87 N +ATOM 1299 CA LEU A 168 20.894 33.428 18.379 1.00 18.37 C +ATOM 1300 C LEU A 168 21.418 32.111 18.964 1.00 15.26 C +ATOM 1301 O LEU A 168 21.293 31.824 20.148 1.00 14.59 O +ATOM 1302 CB LEU A 168 19.541 33.109 17.853 1.00 19.47 C +ATOM 1303 CG LEU A 168 18.389 33.876 18.318 1.00 33.18 C +ATOM 1304 CD1 LEU A 168 17.174 33.001 18.017 1.00 29.76 C +ATOM 1305 CD2 LEU A 168 18.501 34.209 19.829 1.00 32.09 C +ATOM 1306 N VAL A 169 21.925 31.249 18.094 1.00 26.09 N +ATOM 1307 CA VAL A 169 22.603 29.993 18.470 1.00 30.51 C +ATOM 1308 C VAL A 169 23.842 30.245 19.353 1.00 22.02 C +ATOM 1309 O VAL A 169 24.011 29.553 20.374 1.00 25.50 O +ATOM 1310 CB VAL A 169 23.019 29.242 17.160 1.00 27.97 C +ATOM 1311 CG1 VAL A 169 23.878 28.046 17.490 1.00 25.96 C +ATOM 1312 CG2 VAL A 169 21.780 28.769 16.406 1.00 23.43 C +ATOM 1313 N GLU A 170 24.692 31.241 19.012 1.00 16.54 N +ATOM 1314 CA GLU A 170 25.889 31.549 19.798 1.00 18.47 C +ATOM 1315 C GLU A 170 25.434 32.130 21.117 1.00 16.07 C +ATOM 1316 O GLU A 170 26.081 31.833 22.115 1.00 15.71 O +ATOM 1317 CB GLU A 170 26.793 32.602 19.179 1.00 20.83 C +ATOM 1318 CG GLU A 170 27.357 32.183 17.895 1.00 26.40 C +ATOM 1319 CD GLU A 170 28.771 31.674 18.056 1.00 34.23 C +ATOM 1320 OE1 GLU A 170 29.666 32.406 18.493 1.00 31.32 O +ATOM 1321 OE2 GLU A 170 28.978 30.523 17.692 1.00 49.90 O +ATOM 1322 N TYR A 171 24.354 32.925 21.145 1.00 14.06 N +ATOM 1323 CA TYR A 171 23.794 33.424 22.374 1.00 11.70 C +ATOM 1324 C TYR A 171 23.393 32.236 23.239 1.00 10.66 C +ATOM 1325 O TYR A 171 23.705 32.182 24.426 1.00 15.53 O +ATOM 1326 CB TYR A 171 22.586 34.304 22.076 1.00 8.79 C +ATOM 1327 CG TYR A 171 21.855 34.686 23.358 1.00 12.93 C +ATOM 1328 CD1 TYR A 171 22.379 35.655 24.198 1.00 15.64 C +ATOM 1329 CD2 TYR A 171 20.712 34.037 23.753 1.00 15.73 C +ATOM 1330 CE1 TYR A 171 21.813 35.981 25.410 1.00 17.39 C +ATOM 1331 CE2 TYR A 171 20.127 34.341 24.992 1.00 19.42 C +ATOM 1332 CZ TYR A 171 20.679 35.318 25.814 1.00 22.02 C +ATOM 1333 OH TYR A 171 20.111 35.638 27.042 1.00 18.14 O +ATOM 1334 N HIS A 172 22.676 31.248 22.763 1.00 16.23 N +ATOM 1335 CA HIS A 172 22.188 30.172 23.627 1.00 18.45 C +ATOM 1336 C HIS A 172 23.312 29.286 24.119 1.00 18.43 C +ATOM 1337 O HIS A 172 23.372 28.883 25.294 1.00 18.10 O +ATOM 1338 CB HIS A 172 21.136 29.341 22.873 1.00 17.33 C +ATOM 1339 CG HIS A 172 19.759 29.989 22.906 1.00 15.22 C +ATOM 1340 ND1 HIS A 172 18.953 30.156 23.953 1.00 25.05 N +ATOM 1341 CD2 HIS A 172 19.144 30.562 21.809 1.00 19.89 C +ATOM 1342 CE1 HIS A 172 17.891 30.813 23.549 1.00 27.06 C +ATOM 1343 NE2 HIS A 172 18.026 31.049 22.258 1.00 23.50 N +ATOM 1344 N GLN A 173 24.306 29.134 23.258 1.00 16.50 N +ATOM 1345 CA GLN A 173 25.463 28.312 23.673 1.00 24.75 C +ATOM 1346 C GLN A 173 26.378 28.959 24.688 1.00 17.73 C +ATOM 1347 O GLN A 173 26.768 28.327 25.650 1.00 21.15 O +ATOM 1348 CB GLN A 173 26.334 27.911 22.449 1.00 24.76 C +ATOM 1349 CG GLN A 173 25.723 26.838 21.571 1.00 21.25 C +ATOM 1350 CD GLN A 173 26.438 26.524 20.286 1.00 35.07 C +ATOM 1351 OE1 GLN A 173 26.463 25.381 19.838 1.00 42.94 O +ATOM 1352 NE2 GLN A 173 27.046 27.457 19.592 1.00 35.45 N +ATOM 1353 N MET A 174 26.696 30.254 24.523 1.00 26.04 N +ATOM 1354 CA MET A 174 27.780 30.924 25.231 1.00 16.63 C +ATOM 1355 C MET A 174 27.350 31.962 26.189 1.00 14.52 C +ATOM 1356 O MET A 174 28.031 32.138 27.194 1.00 19.50 O +ATOM 1357 CB MET A 174 28.718 31.680 24.356 1.00 15.94 C +ATOM 1358 CG MET A 174 29.289 31.050 23.072 1.00 38.68 C +ATOM 1359 SD MET A 174 30.211 29.526 23.399 1.00 42.51 S +ATOM 1360 CE MET A 174 31.373 30.185 24.584 1.00 45.74 C +ATOM 1361 N THR A 175 26.232 32.646 25.930 1.00 15.93 N +ATOM 1362 CA THR A 175 25.882 33.824 26.706 1.00 20.80 C +ATOM 1363 C THR A 175 24.768 33.506 27.662 1.00 22.75 C +ATOM 1364 O THR A 175 24.838 33.941 28.815 1.00 19.66 O +ATOM 1365 CB THR A 175 25.427 35.010 25.806 1.00 15.05 C +ATOM 1366 OG1 THR A 175 26.434 35.116 24.831 1.00 15.12 O +ATOM 1367 CG2 THR A 175 25.209 36.343 26.547 1.00 13.66 C +ATOM 1368 N ALA A 176 23.791 32.708 27.207 1.00 17.11 N +ATOM 1369 CA ALA A 176 22.709 32.326 28.101 1.00 19.62 C +ATOM 1370 C ALA A 176 23.182 31.802 29.462 1.00 18.00 C +ATOM 1371 O ALA A 176 22.468 32.016 30.452 1.00 17.46 O +ATOM 1372 CB ALA A 176 21.839 31.236 27.463 1.00 25.53 C +ATOM 1373 N PRO A 177 24.354 31.136 29.583 1.00 18.68 N +ATOM 1374 CA PRO A 177 24.840 30.655 30.859 1.00 22.56 C +ATOM 1375 C PRO A 177 25.098 31.759 31.872 1.00 26.32 C +ATOM 1376 O PRO A 177 25.183 31.459 33.070 1.00 25.97 O +ATOM 1377 CB PRO A 177 26.070 29.871 30.484 1.00 22.51 C +ATOM 1378 CG PRO A 177 25.742 29.241 29.117 1.00 20.39 C +ATOM 1379 CD PRO A 177 25.070 30.405 28.505 1.00 16.87 C +ATOM 1380 N LEU A 178 25.280 33.013 31.433 1.00 17.44 N +ATOM 1381 CA LEU A 178 25.494 34.116 32.326 1.00 19.87 C +ATOM 1382 C LEU A 178 24.251 34.374 33.171 1.00 22.27 C +ATOM 1383 O LEU A 178 24.392 34.955 34.262 1.00 21.74 O +ATOM 1384 CB LEU A 178 25.871 35.370 31.534 1.00 20.20 C +ATOM 1385 CG LEU A 178 27.246 35.357 30.896 1.00 20.79 C +ATOM 1386 CD1 LEU A 178 27.437 36.608 30.127 1.00 17.20 C +ATOM 1387 CD2 LEU A 178 28.317 35.341 31.955 1.00 26.85 C +ATOM 1388 N ILE A 179 23.041 33.926 32.787 1.00 20.11 N +ATOM 1389 CA ILE A 179 21.847 34.121 33.617 1.00 20.22 C +ATOM 1390 C ILE A 179 22.043 33.341 34.922 1.00 18.78 C +ATOM 1391 O ILE A 179 21.829 33.929 35.978 1.00 25.03 O +ATOM 1392 CB ILE A 179 20.563 33.642 32.860 1.00 19.24 C +ATOM 1393 CG1 ILE A 179 20.330 34.577 31.655 1.00 19.48 C +ATOM 1394 CG2 ILE A 179 19.359 33.621 33.820 1.00 15.26 C +ATOM 1395 CD1 ILE A 179 19.363 34.061 30.604 1.00 26.50 C +ATOM 1396 N GLY A 180 22.507 32.094 34.879 1.00 15.40 N +ATOM 1397 CA GLY A 180 22.743 31.291 36.059 1.00 21.16 C +ATOM 1398 C GLY A 180 23.936 31.788 36.861 1.00 26.48 C +ATOM 1399 O GLY A 180 23.881 31.828 38.106 1.00 22.84 O +ATOM 1400 N TYR A 181 25.001 32.215 36.144 1.00 24.74 N +ATOM 1401 CA TYR A 181 26.209 32.813 36.742 1.00 22.13 C +ATOM 1402 C TYR A 181 25.873 33.945 37.716 1.00 18.40 C +ATOM 1403 O TYR A 181 26.193 33.901 38.911 1.00 22.35 O +ATOM 1404 CB TYR A 181 27.140 33.355 35.625 1.00 21.69 C +ATOM 1405 CG TYR A 181 28.489 33.927 36.089 1.00 23.52 C +ATOM 1406 CD1 TYR A 181 28.603 35.224 36.552 1.00 19.96 C +ATOM 1407 CD2 TYR A 181 29.618 33.116 36.045 1.00 26.38 C +ATOM 1408 CE1 TYR A 181 29.825 35.728 36.976 1.00 29.06 C +ATOM 1409 CE2 TYR A 181 30.840 33.617 36.468 1.00 26.56 C +ATOM 1410 CZ TYR A 181 30.947 34.918 36.928 1.00 29.23 C +ATOM 1411 OH TYR A 181 32.186 35.413 37.317 1.00 33.06 O +ATOM 1412 N TYR A 182 25.194 34.979 37.221 1.00 27.88 N +ATOM 1413 CA TYR A 182 24.857 36.175 37.960 1.00 20.66 C +ATOM 1414 C TYR A 182 23.688 35.939 38.869 1.00 25.55 C +ATOM 1415 O TYR A 182 23.566 36.705 39.814 1.00 22.46 O +ATOM 1416 CB TYR A 182 24.536 37.293 36.986 1.00 18.15 C +ATOM 1417 CG TYR A 182 25.815 37.884 36.435 1.00 23.80 C +ATOM 1418 CD1 TYR A 182 26.753 38.411 37.316 1.00 25.62 C +ATOM 1419 CD2 TYR A 182 26.071 37.822 35.075 1.00 20.65 C +ATOM 1420 CE1 TYR A 182 27.950 38.888 36.826 1.00 23.86 C +ATOM 1421 CE2 TYR A 182 27.282 38.286 34.588 1.00 22.91 C +ATOM 1422 CZ TYR A 182 28.218 38.800 35.463 1.00 27.81 C +ATOM 1423 OH TYR A 182 29.467 39.174 34.966 1.00 26.86 O +ATOM 1424 N SER A 183 22.802 34.974 38.593 1.00 17.79 N +ATOM 1425 CA SER A 183 21.773 34.685 39.550 1.00 22.82 C +ATOM 1426 C SER A 183 22.498 34.117 40.779 1.00 24.33 C +ATOM 1427 O SER A 183 22.192 34.532 41.892 1.00 28.47 O +ATOM 1428 CB SER A 183 20.820 33.670 38.952 1.00 27.48 C +ATOM 1429 OG SER A 183 19.962 34.251 37.970 1.00 36.61 O +ATOM 1430 N LYS A 184 23.470 33.220 40.641 1.00 22.39 N +ATOM 1431 CA LYS A 184 24.305 32.796 41.740 1.00 32.86 C +ATOM 1432 C LYS A 184 25.041 33.947 42.441 1.00 36.64 C +ATOM 1433 O LYS A 184 25.197 33.926 43.674 1.00 31.46 O +ATOM 1434 CB LYS A 184 25.349 31.811 41.274 1.00 45.13 C +ATOM 1435 CG LYS A 184 24.805 30.395 41.301 1.00 65.07 C +ATOM 1436 CD LYS A 184 25.953 29.372 41.312 1.00 80.43 C +ATOM 1437 CE LYS A 184 25.516 27.942 41.715 1.00 90.18 C +ATOM 1438 NZ LYS A 184 25.133 27.852 43.121 1.00 95.35 N +ATOM 1439 N GLU A 185 25.532 34.938 41.694 1.00 28.97 N +ATOM 1440 CA GLU A 185 26.114 36.110 42.295 1.00 26.04 C +ATOM 1441 C GLU A 185 25.074 36.823 43.129 1.00 29.58 C +ATOM 1442 O GLU A 185 25.445 37.289 44.215 1.00 27.30 O +ATOM 1443 CB GLU A 185 26.630 37.121 41.249 1.00 30.11 C +ATOM 1444 CG GLU A 185 27.857 36.591 40.537 1.00 31.47 C +ATOM 1445 CD GLU A 185 29.022 36.322 41.493 1.00 37.80 C +ATOM 1446 OE1 GLU A 185 29.457 37.242 42.181 1.00 38.02 O +ATOM 1447 OE2 GLU A 185 29.501 35.191 41.552 1.00 35.63 O +ATOM 1448 N ALA A 186 23.799 36.967 42.704 1.00 22.47 N +ATOM 1449 CA ALA A 186 22.815 37.702 43.488 1.00 20.60 C +ATOM 1450 C ALA A 186 22.450 36.961 44.777 1.00 24.28 C +ATOM 1451 O ALA A 186 22.235 37.529 45.854 1.00 25.34 O +ATOM 1452 CB ALA A 186 21.568 37.882 42.680 1.00 19.02 C +ATOM 1453 N GLU A 187 22.415 35.638 44.701 1.00 31.08 N +ATOM 1454 CA GLU A 187 22.141 34.782 45.857 1.00 44.44 C +ATOM 1455 C GLU A 187 23.150 34.955 46.976 1.00 40.98 C +ATOM 1456 O GLU A 187 22.828 34.905 48.176 1.00 33.46 O +ATOM 1457 CB GLU A 187 22.152 33.310 45.466 1.00 56.38 C +ATOM 1458 CG GLU A 187 20.806 32.860 44.911 1.00 76.88 C +ATOM 1459 CD GLU A 187 20.739 31.369 44.618 1.00 86.20 C +ATOM 1460 OE1 GLU A 187 20.664 30.571 45.562 1.00 91.02 O +ATOM 1461 OE2 GLU A 187 20.757 31.020 43.436 1.00 91.61 O +ATOM 1462 N ALA A 188 24.399 35.166 46.536 1.00 30.39 N +ATOM 1463 CA ALA A 188 25.497 35.366 47.468 1.00 35.28 C +ATOM 1464 C ALA A 188 25.615 36.777 48.053 1.00 33.05 C +ATOM 1465 O ALA A 188 26.471 37.056 48.894 1.00 38.47 O +ATOM 1466 CB ALA A 188 26.798 34.962 46.745 1.00 31.61 C +ATOM 1467 N GLY A 189 24.743 37.688 47.643 1.00 33.11 N +ATOM 1468 CA GLY A 189 24.765 39.076 48.082 1.00 38.03 C +ATOM 1469 C GLY A 189 25.738 40.009 47.310 1.00 39.17 C +ATOM 1470 O GLY A 189 25.867 41.197 47.661 1.00 38.53 O +ATOM 1471 N ASN A 190 26.374 39.541 46.221 1.00 32.23 N +ATOM 1472 CA ASN A 190 27.363 40.312 45.461 1.00 28.46 C +ATOM 1473 C ASN A 190 26.836 41.319 44.448 1.00 25.65 C +ATOM 1474 O ASN A 190 27.599 42.167 44.016 1.00 32.64 O +ATOM 1475 CB ASN A 190 28.307 39.357 44.735 1.00 34.00 C +ATOM 1476 CG ASN A 190 29.016 38.341 45.616 1.00 34.48 C +ATOM 1477 OD1 ASN A 190 29.153 38.496 46.827 1.00 33.98 O +ATOM 1478 ND2 ASN A 190 29.479 37.218 45.112 1.00 35.91 N +ATOM 1479 N THR A 191 25.556 41.263 44.069 1.00 26.13 N +ATOM 1480 CA THR A 191 24.855 42.119 43.112 1.00 29.10 C +ATOM 1481 C THR A 191 23.337 41.897 43.350 1.00 30.66 C +ATOM 1482 O THR A 191 22.924 40.980 44.099 1.00 27.02 O +ATOM 1483 CB THR A 191 25.234 41.732 41.612 1.00 26.13 C +ATOM 1484 OG1 THR A 191 24.835 42.853 40.815 1.00 28.32 O +ATOM 1485 CG2 THR A 191 24.563 40.464 41.070 1.00 26.95 C +ATOM 1486 N LYS A 192 22.520 42.760 42.707 1.00 31.45 N +ATOM 1487 CA LYS A 192 21.066 42.643 42.614 1.00 30.19 C +ATOM 1488 C LYS A 192 20.766 42.082 41.200 1.00 26.48 C +ATOM 1489 O LYS A 192 21.477 42.422 40.243 1.00 26.22 O +ATOM 1490 CB LYS A 192 20.449 44.043 42.842 1.00 26.39 C +ATOM 1491 CG LYS A 192 20.470 44.348 44.357 1.00 44.92 C +ATOM 1492 CD LYS A 192 20.175 45.801 44.791 1.00 56.84 C +ATOM 1493 CE LYS A 192 19.401 45.922 46.117 1.00 62.41 C +ATOM 1494 NZ LYS A 192 17.996 45.547 45.934 1.00 71.82 N +ATOM 1495 N TYR A 193 19.780 41.212 40.951 1.00 29.59 N +ATOM 1496 CA TYR A 193 19.512 40.627 39.611 1.00 26.17 C +ATOM 1497 C TYR A 193 18.078 41.014 39.353 1.00 22.39 C +ATOM 1498 O TYR A 193 17.328 40.851 40.302 1.00 29.92 O +ATOM 1499 CB TYR A 193 19.649 39.084 39.628 1.00 16.14 C +ATOM 1500 CG TYR A 193 19.616 38.390 38.306 1.00 23.88 C +ATOM 1501 CD1 TYR A 193 18.419 38.015 37.750 1.00 28.45 C +ATOM 1502 CD2 TYR A 193 20.768 38.216 37.613 1.00 21.54 C +ATOM 1503 CE1 TYR A 193 18.368 37.484 36.473 1.00 27.30 C +ATOM 1504 CE2 TYR A 193 20.734 37.682 36.334 1.00 27.18 C +ATOM 1505 CZ TYR A 193 19.534 37.328 35.772 1.00 22.84 C +ATOM 1506 OH TYR A 193 19.490 36.855 34.496 1.00 23.98 O +ATOM 1507 N ALA A 194 17.604 41.586 38.241 1.00 25.70 N +ATOM 1508 CA ALA A 194 16.181 41.854 38.027 1.00 22.71 C +ATOM 1509 C ALA A 194 15.867 41.433 36.601 1.00 24.56 C +ATOM 1510 O ALA A 194 16.666 41.662 35.701 1.00 23.26 O +ATOM 1511 CB ALA A 194 15.820 43.324 38.124 1.00 27.76 C +ATOM 1512 N LYS A 195 14.803 40.679 36.385 1.00 22.73 N +ATOM 1513 CA LYS A 195 14.390 40.266 35.066 1.00 23.39 C +ATOM 1514 C LYS A 195 13.277 41.223 34.553 1.00 27.00 C +ATOM 1515 O LYS A 195 12.415 41.677 35.322 1.00 29.46 O +ATOM 1516 CB LYS A 195 13.973 38.819 35.238 1.00 21.78 C +ATOM 1517 CG LYS A 195 13.755 38.186 33.909 1.00 29.40 C +ATOM 1518 CD LYS A 195 13.211 36.799 34.127 1.00 38.23 C +ATOM 1519 CE LYS A 195 12.745 36.343 32.751 1.00 39.99 C +ATOM 1520 NZ LYS A 195 12.355 34.938 32.727 1.00 49.37 N +ATOM 1521 N VAL A 196 13.287 41.732 33.311 1.00 20.78 N +ATOM 1522 CA VAL A 196 12.218 42.589 32.815 1.00 23.44 C +ATOM 1523 C VAL A 196 11.666 41.946 31.524 1.00 28.74 C +ATOM 1524 O VAL A 196 12.321 41.203 30.767 1.00 21.38 O +ATOM 1525 CB VAL A 196 12.717 44.035 32.521 1.00 32.45 C +ATOM 1526 CG1 VAL A 196 13.508 44.521 33.736 1.00 37.45 C +ATOM 1527 CG2 VAL A 196 13.623 44.112 31.315 1.00 31.23 C +ATOM 1528 N ASP A 197 10.384 42.181 31.309 1.00 22.69 N +ATOM 1529 CA ASP A 197 9.688 41.664 30.175 1.00 16.27 C +ATOM 1530 C ASP A 197 10.000 42.516 28.963 1.00 21.71 C +ATOM 1531 O ASP A 197 9.359 43.537 28.745 1.00 20.20 O +ATOM 1532 CB ASP A 197 8.206 41.681 30.416 1.00 22.42 C +ATOM 1533 CG ASP A 197 7.386 41.039 29.288 1.00 18.45 C +ATOM 1534 OD1 ASP A 197 7.877 40.724 28.216 1.00 21.07 O +ATOM 1535 OD2 ASP A 197 6.214 40.837 29.484 1.00 23.53 O +ATOM 1536 N GLY A 198 10.921 42.068 28.123 1.00 16.61 N +ATOM 1537 CA GLY A 198 11.316 42.835 26.964 1.00 21.26 C +ATOM 1538 C GLY A 198 10.257 42.800 25.859 1.00 27.33 C +ATOM 1539 O GLY A 198 10.499 43.434 24.830 1.00 21.75 O +ATOM 1540 N THR A 199 9.094 42.109 25.950 1.00 23.59 N +ATOM 1541 CA THR A 199 8.045 42.211 24.904 1.00 24.67 C +ATOM 1542 C THR A 199 7.121 43.430 25.058 1.00 26.11 C +ATOM 1543 O THR A 199 6.469 43.835 24.074 1.00 31.06 O +ATOM 1544 CB THR A 199 7.149 40.904 24.823 1.00 20.04 C +ATOM 1545 OG1 THR A 199 6.307 40.816 25.949 1.00 20.89 O +ATOM 1546 CG2 THR A 199 8.016 39.649 24.778 1.00 20.89 C +ATOM 1547 N LYS A 200 7.171 44.113 26.224 1.00 23.64 N +ATOM 1548 CA LYS A 200 6.346 45.271 26.476 1.00 19.12 C +ATOM 1549 C LYS A 200 6.785 46.344 25.533 1.00 24.01 C +ATOM 1550 O LYS A 200 7.861 46.304 24.939 1.00 22.82 O +ATOM 1551 CB LYS A 200 6.509 45.758 27.894 1.00 22.39 C +ATOM 1552 CG LYS A 200 5.870 44.746 28.839 1.00 18.31 C +ATOM 1553 CD LYS A 200 5.898 45.383 30.175 1.00 26.54 C +ATOM 1554 CE LYS A 200 5.474 44.334 31.116 1.00 24.03 C +ATOM 1555 NZ LYS A 200 5.688 44.892 32.400 1.00 28.94 N +ATOM 1556 N PRO A 201 5.945 47.296 25.281 1.00 25.29 N +ATOM 1557 CA PRO A 201 6.324 48.459 24.505 1.00 23.26 C +ATOM 1558 C PRO A 201 7.525 49.152 25.131 1.00 21.27 C +ATOM 1559 O PRO A 201 7.674 49.071 26.368 1.00 22.64 O +ATOM 1560 CB PRO A 201 5.022 49.240 24.502 1.00 29.11 C +ATOM 1561 CG PRO A 201 3.940 48.167 24.515 1.00 26.68 C +ATOM 1562 CD PRO A 201 4.511 47.257 25.583 1.00 33.70 C +ATOM 1563 N VAL A 202 8.368 49.799 24.296 1.00 24.14 N +ATOM 1564 CA VAL A 202 9.572 50.527 24.721 1.00 21.75 C +ATOM 1565 C VAL A 202 9.234 51.377 25.959 1.00 24.15 C +ATOM 1566 O VAL A 202 9.796 51.162 27.026 1.00 29.61 O +ATOM 1567 CB VAL A 202 10.094 51.474 23.582 1.00 20.87 C +ATOM 1568 CG1 VAL A 202 11.238 52.354 24.054 1.00 17.93 C +ATOM 1569 CG2 VAL A 202 10.665 50.653 22.471 1.00 22.03 C +ATOM 1570 N ALA A 203 8.262 52.286 25.965 1.00 26.44 N +ATOM 1571 CA ALA A 203 8.001 53.132 27.123 1.00 24.59 C +ATOM 1572 C ALA A 203 7.638 52.381 28.370 1.00 24.66 C +ATOM 1573 O ALA A 203 7.981 52.795 29.484 1.00 26.00 O +ATOM 1574 CB ALA A 203 6.872 54.099 26.846 1.00 34.37 C +ATOM 1575 N GLU A 204 6.959 51.252 28.190 1.00 28.00 N +ATOM 1576 CA GLU A 204 6.592 50.429 29.321 1.00 27.26 C +ATOM 1577 C GLU A 204 7.818 49.739 29.914 1.00 31.42 C +ATOM 1578 O GLU A 204 7.951 49.646 31.138 1.00 23.09 O +ATOM 1579 CB GLU A 204 5.587 49.382 28.900 1.00 36.46 C +ATOM 1580 CG GLU A 204 4.144 49.866 28.988 1.00 44.61 C +ATOM 1581 CD GLU A 204 3.138 48.709 28.884 1.00 48.97 C +ATOM 1582 OE1 GLU A 204 2.993 47.948 29.851 1.00 52.39 O +ATOM 1583 OE2 GLU A 204 2.506 48.562 27.836 1.00 51.56 O +ATOM 1584 N VAL A 205 8.729 49.235 29.080 1.00 31.86 N +ATOM 1585 CA VAL A 205 9.958 48.634 29.563 1.00 22.63 C +ATOM 1586 C VAL A 205 10.665 49.763 30.292 1.00 21.22 C +ATOM 1587 O VAL A 205 11.202 49.541 31.373 1.00 18.70 O +ATOM 1588 CB VAL A 205 10.851 48.117 28.381 1.00 24.22 C +ATOM 1589 CG1 VAL A 205 12.176 47.554 28.946 1.00 19.79 C +ATOM 1590 CG2 VAL A 205 10.157 47.007 27.589 1.00 17.92 C +ATOM 1591 N ARG A 206 10.676 50.985 29.748 1.00 23.27 N +ATOM 1592 CA ARG A 206 11.381 52.102 30.354 1.00 26.40 C +ATOM 1593 C ARG A 206 10.866 52.395 31.765 1.00 29.43 C +ATOM 1594 O ARG A 206 11.653 52.530 32.704 1.00 32.42 O +ATOM 1595 CB ARG A 206 11.196 53.246 29.421 1.00 26.38 C +ATOM 1596 CG ARG A 206 11.935 54.435 29.920 1.00 49.92 C +ATOM 1597 CD ARG A 206 11.129 55.634 29.476 1.00 67.93 C +ATOM 1598 NE ARG A 206 11.566 56.767 30.264 1.00 84.85 N +ATOM 1599 CZ ARG A 206 12.176 57.834 29.727 1.00 93.86 C +ATOM 1600 NH1 ARG A 206 12.338 57.978 28.402 1.00 92.58 N +ATOM 1601 NH2 ARG A 206 12.607 58.797 30.557 1.00100.35 N +ATOM 1602 N ALA A 207 9.544 52.377 31.942 1.00 26.47 N +ATOM 1603 CA ALA A 207 8.907 52.492 33.247 1.00 31.60 C +ATOM 1604 C ALA A 207 9.202 51.350 34.241 1.00 38.53 C +ATOM 1605 O ALA A 207 9.309 51.604 35.465 1.00 38.74 O +ATOM 1606 CB ALA A 207 7.414 52.565 33.084 1.00 26.98 C +ATOM 1607 N ASP A 208 9.362 50.072 33.834 1.00 34.71 N +ATOM 1608 CA ASP A 208 9.716 48.993 34.790 1.00 29.57 C +ATOM 1609 C ASP A 208 11.108 49.181 35.354 1.00 23.15 C +ATOM 1610 O ASP A 208 11.374 49.013 36.553 1.00 27.89 O +ATOM 1611 CB ASP A 208 9.597 47.611 34.097 1.00 28.86 C +ATOM 1612 CG ASP A 208 8.157 47.235 33.726 1.00 36.94 C +ATOM 1613 OD1 ASP A 208 7.226 47.532 34.481 1.00 38.17 O +ATOM 1614 OD2 ASP A 208 7.946 46.649 32.669 1.00 43.37 O +ATOM 1615 N LEU A 209 11.976 49.631 34.439 1.00 29.55 N +ATOM 1616 CA LEU A 209 13.339 49.966 34.772 1.00 30.90 C +ATOM 1617 C LEU A 209 13.384 51.107 35.751 1.00 30.94 C +ATOM 1618 O LEU A 209 14.199 50.983 36.656 1.00 31.15 O +ATOM 1619 CB LEU A 209 14.144 50.369 33.555 1.00 22.64 C +ATOM 1620 CG LEU A 209 14.484 49.203 32.619 1.00 32.03 C +ATOM 1621 CD1 LEU A 209 15.195 49.765 31.380 1.00 30.31 C +ATOM 1622 CD2 LEU A 209 15.357 48.179 33.319 1.00 27.70 C +ATOM 1623 N GLU A 210 12.618 52.198 35.657 1.00 29.77 N +ATOM 1624 CA GLU A 210 12.663 53.230 36.684 1.00 32.29 C +ATOM 1625 C GLU A 210 12.246 52.665 38.009 1.00 37.37 C +ATOM 1626 O GLU A 210 12.926 52.974 38.982 1.00 37.57 O +ATOM 1627 CB GLU A 210 11.762 54.334 36.399 1.00 30.94 C +ATOM 1628 CG GLU A 210 12.483 55.212 35.433 1.00 46.47 C +ATOM 1629 CD GLU A 210 11.646 56.411 35.024 1.00 59.35 C +ATOM 1630 OE1 GLU A 210 11.393 57.236 35.902 1.00 73.54 O +ATOM 1631 OE2 GLU A 210 11.248 56.534 33.859 1.00 55.93 O +ATOM 1632 N LYS A 211 11.260 51.747 38.076 1.00 40.32 N +ATOM 1633 CA LYS A 211 10.927 51.111 39.364 1.00 46.86 C +ATOM 1634 C LYS A 211 12.078 50.386 40.001 1.00 44.48 C +ATOM 1635 O LYS A 211 12.239 50.401 41.213 1.00 53.79 O +ATOM 1636 CB LYS A 211 9.840 50.063 39.295 1.00 49.66 C +ATOM 1637 CG LYS A 211 8.532 50.780 39.159 1.00 66.99 C +ATOM 1638 CD LYS A 211 7.786 50.219 37.961 1.00 79.45 C +ATOM 1639 CE LYS A 211 6.678 51.165 37.481 1.00 83.43 C +ATOM 1640 NZ LYS A 211 6.007 50.590 36.327 1.00 85.04 N +ATOM 1641 N ILE A 212 12.897 49.723 39.210 1.00 43.75 N +ATOM 1642 CA ILE A 212 14.037 48.992 39.744 1.00 41.73 C +ATOM 1643 C ILE A 212 15.155 49.961 40.162 1.00 40.35 C +ATOM 1644 O ILE A 212 15.751 49.755 41.216 1.00 44.48 O +ATOM 1645 CB ILE A 212 14.508 47.961 38.630 1.00 38.89 C +ATOM 1646 CG1 ILE A 212 13.375 46.935 38.326 1.00 38.67 C +ATOM 1647 CG2 ILE A 212 15.806 47.281 39.075 1.00 33.58 C +ATOM 1648 CD1 ILE A 212 13.602 46.019 37.091 1.00 32.12 C +ATOM 1649 N LEU A 213 15.456 51.032 39.420 1.00 40.42 N +ATOM 1650 CA LEU A 213 16.624 51.868 39.661 1.00 49.31 C +ATOM 1651 C LEU A 213 16.440 53.187 40.423 1.00 54.79 C +ATOM 1652 O LEU A 213 17.458 53.704 40.904 1.00 53.77 O +ATOM 1653 CB LEU A 213 17.321 52.160 38.292 1.00 37.29 C +ATOM 1654 CG LEU A 213 17.772 50.963 37.443 1.00 35.90 C +ATOM 1655 CD1 LEU A 213 18.238 51.457 36.081 1.00 37.96 C +ATOM 1656 CD2 LEU A 213 18.910 50.230 38.104 1.00 30.51 C +ATOM 1657 N GLY A 214 15.248 53.773 40.555 1.00 60.83 N +ATOM 1658 CA GLY A 214 15.055 55.001 41.318 1.00 66.76 C +ATOM 1659 C GLY A 214 14.400 56.086 40.466 1.00 77.41 C +ATOM 1660 O GLY A 214 13.852 57.041 41.020 1.00 81.95 O +ATOM 1661 OXT GLY A 214 14.430 55.983 39.238 1.00 80.44 O +TER 1662 GLY A 214 +END diff --git a/bench/main_benchmark/structures/SFB_AL_CALM_1CFDA_1CLLA/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_CALM_1CFDA_1CLLA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f6cdf8772071898a055ea93126e1a37bf3955b8c --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_CALM_1CFDA_1CLLA/state_a.pdb @@ -0,0 +1,2264 @@ +ATOM 1 N ALA A 1 14.740 14.132 -10.195 1.00 2.87 N +ATOM 2 CA ALA A 1 13.456 13.452 -10.532 1.00 2.32 C +ATOM 3 C ALA A 1 12.819 12.898 -9.257 1.00 2.09 C +ATOM 4 O ALA A 1 13.477 12.717 -8.251 1.00 2.58 O +ATOM 5 CB ALA A 1 13.729 12.302 -11.504 1.00 2.53 C +ATOM 6 H1 ALA A 1 15.089 13.782 -9.281 1.00 3.19 H +ATOM 7 H2 ALA A 1 15.443 13.930 -10.936 1.00 3.21 H +ATOM 8 H3 ALA A 1 14.584 15.158 -10.135 1.00 3.18 H +ATOM 9 HA ALA A 1 12.783 14.160 -10.993 1.00 2.43 H +ATOM 10 HB1 ALA A 1 14.387 12.642 -12.289 1.00 2.64 H +ATOM 11 HB2 ALA A 1 14.194 11.484 -10.973 1.00 2.84 H +ATOM 12 HB3 ALA A 1 12.797 11.966 -11.936 1.00 3.01 H +ATOM 13 N ASP A 2 11.541 12.622 -9.292 1.00 1.59 N +ATOM 14 CA ASP A 2 10.855 12.073 -8.084 1.00 1.56 C +ATOM 15 C ASP A 2 10.544 10.602 -8.323 1.00 1.11 C +ATOM 16 O ASP A 2 9.735 9.995 -7.651 1.00 1.24 O +ATOM 17 CB ASP A 2 9.556 12.845 -7.845 1.00 1.84 C +ATOM 18 CG ASP A 2 9.389 13.140 -6.351 1.00 2.61 C +ATOM 19 OD1 ASP A 2 9.875 12.355 -5.554 1.00 3.18 O +ATOM 20 OD2 ASP A 2 8.778 14.147 -6.030 1.00 3.14 O +ATOM 21 H ASP A 2 11.032 12.773 -10.115 1.00 1.51 H +ATOM 22 HA ASP A 2 11.503 12.161 -7.234 1.00 1.81 H +ATOM 23 HB2 ASP A 2 9.590 13.774 -8.395 1.00 2.14 H +ATOM 24 HB3 ASP A 2 8.720 12.256 -8.191 1.00 1.78 H +ATOM 25 N GLN A 3 11.190 10.043 -9.288 1.00 0.85 N +ATOM 26 CA GLN A 3 10.962 8.599 -9.622 1.00 0.65 C +ATOM 27 C GLN A 3 11.353 7.721 -8.438 1.00 0.53 C +ATOM 28 O GLN A 3 12.242 8.041 -7.674 1.00 0.58 O +ATOM 29 CB GLN A 3 11.792 8.184 -10.846 1.00 0.90 C +ATOM 30 CG GLN A 3 11.375 9.034 -12.040 1.00 1.26 C +ATOM 31 CD GLN A 3 12.433 8.932 -13.140 1.00 1.66 C +ATOM 32 OE1 GLN A 3 12.961 9.932 -13.585 1.00 1.92 O +ATOM 33 NE2 GLN A 3 12.768 7.758 -13.601 1.00 2.39 N +ATOM 34 H GLN A 3 11.822 10.585 -9.797 1.00 1.04 H +ATOM 35 HA GLN A 3 9.914 8.450 -9.839 1.00 0.81 H +ATOM 36 HB2 GLN A 3 12.847 8.316 -10.646 1.00 1.14 H +ATOM 37 HB3 GLN A 3 11.603 7.144 -11.071 1.00 1.17 H +ATOM 38 HG2 GLN A 3 10.427 8.675 -12.413 1.00 1.42 H +ATOM 39 HG3 GLN A 3 11.274 10.063 -11.732 1.00 1.56 H +ATOM 40 HE21 GLN A 3 12.342 6.951 -13.242 1.00 2.87 H +ATOM 41 HE22 GLN A 3 13.445 7.683 -14.305 1.00 2.71 H +ATOM 42 N LEU A 4 10.691 6.610 -8.290 1.00 0.45 N +ATOM 43 CA LEU A 4 11.014 5.690 -7.165 1.00 0.40 C +ATOM 44 C LEU A 4 12.348 4.996 -7.445 1.00 0.43 C +ATOM 45 O LEU A 4 12.532 4.379 -8.475 1.00 0.49 O +ATOM 46 CB LEU A 4 9.915 4.632 -7.041 1.00 0.39 C +ATOM 47 CG LEU A 4 8.603 5.294 -6.608 1.00 0.36 C +ATOM 48 CD1 LEU A 4 7.436 4.362 -6.931 1.00 0.35 C +ATOM 49 CD2 LEU A 4 8.628 5.564 -5.101 1.00 0.35 C +ATOM 50 H LEU A 4 9.981 6.379 -8.928 1.00 0.50 H +ATOM 51 HA LEU A 4 11.082 6.251 -6.245 1.00 0.44 H +ATOM 52 HB2 LEU A 4 9.776 4.149 -7.996 1.00 0.44 H +ATOM 53 HB3 LEU A 4 10.207 3.897 -6.308 1.00 0.43 H +ATOM 54 HG LEU A 4 8.476 6.226 -7.142 1.00 0.39 H +ATOM 55 HD11 LEU A 4 7.417 4.164 -7.993 1.00 1.04 H +ATOM 56 HD12 LEU A 4 7.561 3.434 -6.392 1.00 1.11 H +ATOM 57 HD13 LEU A 4 6.510 4.831 -6.633 1.00 1.05 H +ATOM 58 HD21 LEU A 4 9.097 4.735 -4.593 1.00 1.08 H +ATOM 59 HD22 LEU A 4 9.185 6.468 -4.905 1.00 1.03 H +ATOM 60 HD23 LEU A 4 7.615 5.680 -4.740 1.00 1.04 H +ATOM 61 N THR A 5 13.281 5.087 -6.538 1.00 0.43 N +ATOM 62 CA THR A 5 14.595 4.424 -6.763 1.00 0.49 C +ATOM 63 C THR A 5 14.412 2.906 -6.683 1.00 0.45 C +ATOM 64 O THR A 5 13.482 2.417 -6.073 1.00 0.40 O +ATOM 65 CB THR A 5 15.589 4.881 -5.693 1.00 0.54 C +ATOM 66 OG1 THR A 5 14.964 4.837 -4.418 1.00 0.52 O +ATOM 67 CG2 THR A 5 16.041 6.310 -5.994 1.00 0.58 C +ATOM 68 H THR A 5 13.116 5.585 -5.710 1.00 0.44 H +ATOM 69 HA THR A 5 14.969 4.692 -7.740 1.00 0.54 H +ATOM 70 HB THR A 5 16.448 4.229 -5.697 1.00 0.58 H +ATOM 71 HG1 THR A 5 15.484 4.261 -3.853 1.00 1.04 H +ATOM 72 HG21 THR A 5 16.481 6.348 -6.980 1.00 1.29 H +ATOM 73 HG22 THR A 5 15.189 6.972 -5.954 1.00 1.07 H +ATOM 74 HG23 THR A 5 16.772 6.618 -5.262 1.00 1.16 H +ATOM 75 N GLU A 6 15.286 2.155 -7.296 1.00 0.50 N +ATOM 76 CA GLU A 6 15.151 0.674 -7.253 1.00 0.48 C +ATOM 77 C GLU A 6 15.069 0.210 -5.798 1.00 0.44 C +ATOM 78 O GLU A 6 14.432 -0.776 -5.486 1.00 0.42 O +ATOM 79 CB GLU A 6 16.364 0.035 -7.930 1.00 0.54 C +ATOM 80 CG GLU A 6 16.441 0.504 -9.384 1.00 1.18 C +ATOM 81 CD GLU A 6 17.482 -0.328 -10.135 1.00 1.72 C +ATOM 82 OE1 GLU A 6 18.123 -1.150 -9.502 1.00 2.39 O +ATOM 83 OE2 GLU A 6 17.620 -0.129 -11.331 1.00 2.23 O +ATOM 84 H GLU A 6 16.030 2.565 -7.785 1.00 0.55 H +ATOM 85 HA GLU A 6 14.252 0.380 -7.773 1.00 0.47 H +ATOM 86 HB2 GLU A 6 17.262 0.330 -7.408 1.00 1.03 H +ATOM 87 HB3 GLU A 6 16.267 -1.040 -7.905 1.00 0.94 H +ATOM 88 HG2 GLU A 6 15.475 0.383 -9.853 1.00 1.73 H +ATOM 89 HG3 GLU A 6 16.728 1.545 -9.412 1.00 1.79 H +ATOM 90 N GLU A 7 15.705 0.916 -4.905 1.00 0.45 N +ATOM 91 CA GLU A 7 15.658 0.515 -3.471 1.00 0.42 C +ATOM 92 C GLU A 7 14.261 0.792 -2.914 1.00 0.38 C +ATOM 93 O GLU A 7 13.592 -0.096 -2.428 1.00 0.39 O +ATOM 94 CB GLU A 7 16.694 1.316 -2.680 1.00 0.46 C +ATOM 95 CG GLU A 7 18.082 1.094 -3.287 1.00 0.56 C +ATOM 96 CD GLU A 7 19.156 1.451 -2.256 1.00 1.19 C +ATOM 97 OE1 GLU A 7 19.525 2.612 -2.191 1.00 2.06 O +ATOM 98 OE2 GLU A 7 19.595 0.556 -1.553 1.00 1.71 O +ATOM 99 H GLU A 7 16.211 1.709 -5.176 1.00 0.49 H +ATOM 100 HA GLU A 7 15.876 -0.539 -3.385 1.00 0.43 H +ATOM 101 HB2 GLU A 7 16.445 2.367 -2.721 1.00 0.49 H +ATOM 102 HB3 GLU A 7 16.695 0.986 -1.652 1.00 0.45 H +ATOM 103 HG2 GLU A 7 18.189 0.058 -3.574 1.00 0.95 H +ATOM 104 HG3 GLU A 7 18.199 1.722 -4.158 1.00 1.07 H +ATOM 105 N GLN A 8 13.810 2.016 -2.985 1.00 0.37 N +ATOM 106 CA GLN A 8 12.452 2.336 -2.461 1.00 0.34 C +ATOM 107 C GLN A 8 11.445 1.341 -3.036 1.00 0.31 C +ATOM 108 O GLN A 8 10.507 0.944 -2.373 1.00 0.30 O +ATOM 109 CB GLN A 8 12.062 3.759 -2.871 1.00 0.37 C +ATOM 110 CG GLN A 8 12.949 4.764 -2.133 1.00 0.42 C +ATOM 111 CD GLN A 8 12.801 6.144 -2.776 1.00 0.48 C +ATOM 112 OE1 GLN A 8 12.457 6.253 -3.936 1.00 0.52 O +ATOM 113 NE2 GLN A 8 13.048 7.211 -2.065 1.00 0.80 N +ATOM 114 H GLN A 8 14.361 2.721 -3.384 1.00 0.38 H +ATOM 115 HA GLN A 8 12.452 2.257 -1.383 1.00 0.34 H +ATOM 116 HB2 GLN A 8 12.195 3.877 -3.937 1.00 0.40 H +ATOM 117 HB3 GLN A 8 11.029 3.938 -2.615 1.00 0.35 H +ATOM 118 HG2 GLN A 8 12.649 4.814 -1.096 1.00 0.44 H +ATOM 119 HG3 GLN A 8 13.979 4.449 -2.195 1.00 0.47 H +ATOM 120 HE21 GLN A 8 13.325 7.123 -1.129 1.00 1.03 H +ATOM 121 HE22 GLN A 8 12.956 8.099 -2.468 1.00 0.89 H +ATOM 122 N ILE A 9 11.634 0.921 -4.258 1.00 0.32 N +ATOM 123 CA ILE A 9 10.683 -0.061 -4.846 1.00 0.30 C +ATOM 124 C ILE A 9 10.882 -1.405 -4.146 1.00 0.30 C +ATOM 125 O ILE A 9 9.936 -2.107 -3.849 1.00 0.29 O +ATOM 126 CB ILE A 9 10.938 -0.205 -6.351 1.00 0.33 C +ATOM 127 CG1 ILE A 9 10.523 1.096 -7.054 1.00 0.34 C +ATOM 128 CG2 ILE A 9 10.118 -1.380 -6.903 1.00 0.34 C +ATOM 129 CD1 ILE A 9 10.496 0.890 -8.570 1.00 0.38 C +ATOM 130 H ILE A 9 12.402 1.241 -4.779 1.00 0.33 H +ATOM 131 HA ILE A 9 9.669 0.280 -4.681 1.00 0.30 H +ATOM 132 HB ILE A 9 11.989 -0.389 -6.522 1.00 0.35 H +ATOM 133 HG12 ILE A 9 9.539 1.389 -6.716 1.00 0.34 H +ATOM 134 HG13 ILE A 9 11.231 1.874 -6.812 1.00 0.36 H +ATOM 135 HG21 ILE A 9 9.071 -1.213 -6.701 1.00 1.14 H +ATOM 136 HG22 ILE A 9 10.270 -1.462 -7.968 1.00 1.06 H +ATOM 137 HG23 ILE A 9 10.434 -2.296 -6.428 1.00 1.01 H +ATOM 138 HD11 ILE A 9 11.395 0.378 -8.879 1.00 1.04 H +ATOM 139 HD12 ILE A 9 9.633 0.296 -8.836 1.00 1.01 H +ATOM 140 HD13 ILE A 9 10.439 1.849 -9.062 1.00 1.06 H +ATOM 141 N ALA A 10 12.107 -1.766 -3.865 1.00 0.32 N +ATOM 142 CA ALA A 10 12.351 -3.056 -3.169 1.00 0.33 C +ATOM 143 C ALA A 10 11.805 -2.946 -1.741 1.00 0.32 C +ATOM 144 O ALA A 10 11.074 -3.801 -1.283 1.00 0.44 O +ATOM 145 CB ALA A 10 13.858 -3.362 -3.150 1.00 0.40 C +ATOM 146 H ALA A 10 12.859 -1.186 -4.101 1.00 0.34 H +ATOM 147 HA ALA A 10 11.829 -3.845 -3.691 1.00 0.33 H +ATOM 148 HB1 ALA A 10 14.413 -2.460 -3.360 1.00 1.08 H +ATOM 149 HB2 ALA A 10 14.143 -3.743 -2.180 1.00 1.09 H +ATOM 150 HB3 ALA A 10 14.084 -4.103 -3.904 1.00 1.06 H +ATOM 151 N GLU A 11 12.137 -1.891 -1.038 1.00 0.30 N +ATOM 152 CA GLU A 11 11.629 -1.718 0.340 1.00 0.30 C +ATOM 153 C GLU A 11 10.120 -1.921 0.357 1.00 0.25 C +ATOM 154 O GLU A 11 9.589 -2.683 1.141 1.00 0.30 O +ATOM 155 CB GLU A 11 11.957 -0.291 0.791 1.00 0.35 C +ATOM 156 CG GLU A 11 12.420 -0.315 2.235 1.00 1.02 C +ATOM 157 CD GLU A 11 12.837 1.092 2.668 1.00 1.25 C +ATOM 158 OE1 GLU A 11 13.746 1.633 2.060 1.00 1.94 O +ATOM 159 OE2 GLU A 11 12.240 1.604 3.601 1.00 1.72 O +ATOM 160 H GLU A 11 12.714 -1.200 -1.418 1.00 0.37 H +ATOM 161 HA GLU A 11 12.099 -2.436 0.994 1.00 0.33 H +ATOM 162 HB2 GLU A 11 12.744 0.110 0.168 1.00 0.83 H +ATOM 163 HB3 GLU A 11 11.079 0.332 0.706 1.00 0.93 H +ATOM 164 HG2 GLU A 11 11.611 -0.663 2.858 1.00 1.75 H +ATOM 165 HG3 GLU A 11 13.262 -0.982 2.318 1.00 1.62 H +ATOM 166 N PHE A 12 9.430 -1.243 -0.505 1.00 0.22 N +ATOM 167 CA PHE A 12 7.955 -1.388 -0.549 1.00 0.21 C +ATOM 168 C PHE A 12 7.606 -2.812 -0.954 1.00 0.20 C +ATOM 169 O PHE A 12 6.688 -3.412 -0.432 1.00 0.19 O +ATOM 170 CB PHE A 12 7.386 -0.456 -1.605 1.00 0.23 C +ATOM 171 CG PHE A 12 7.809 0.979 -1.387 1.00 0.26 C +ATOM 172 CD1 PHE A 12 8.282 1.433 -0.138 1.00 0.84 C +ATOM 173 CD2 PHE A 12 7.709 1.874 -2.460 1.00 0.86 C +ATOM 174 CE1 PHE A 12 8.643 2.780 0.015 1.00 0.85 C +ATOM 175 CE2 PHE A 12 8.070 3.205 -2.304 1.00 0.90 C +ATOM 176 CZ PHE A 12 8.535 3.665 -1.069 1.00 0.41 C +ATOM 177 H PHE A 12 9.884 -0.639 -1.131 1.00 0.25 H +ATOM 178 HA PHE A 12 7.525 -1.165 0.415 1.00 0.22 H +ATOM 179 HB2 PHE A 12 7.745 -0.780 -2.565 1.00 0.23 H +ATOM 180 HB3 PHE A 12 6.307 -0.517 -1.590 1.00 0.30 H +ATOM 181 HD1 PHE A 12 8.367 0.754 0.705 1.00 1.43 H +ATOM 182 HD2 PHE A 12 7.357 1.530 -3.420 1.00 1.45 H +ATOM 183 HE1 PHE A 12 9.010 3.135 0.965 1.00 1.44 H +ATOM 184 HE2 PHE A 12 7.981 3.879 -3.140 1.00 1.49 H +ATOM 185 HZ PHE A 12 8.808 4.702 -0.949 1.00 0.48 H +ATOM 186 N LYS A 13 8.319 -3.351 -1.901 1.00 0.22 N +ATOM 187 CA LYS A 13 8.006 -4.725 -2.354 1.00 0.22 C +ATOM 188 C LYS A 13 8.141 -5.692 -1.175 1.00 0.22 C +ATOM 189 O LYS A 13 7.382 -6.632 -1.044 1.00 0.26 O +ATOM 190 CB LYS A 13 8.957 -5.142 -3.476 1.00 0.22 C +ATOM 191 CG LYS A 13 8.668 -6.604 -3.862 1.00 0.23 C +ATOM 192 CD LYS A 13 8.780 -6.798 -5.385 1.00 0.25 C +ATOM 193 CE LYS A 13 7.379 -6.807 -6.005 1.00 0.33 C +ATOM 194 NZ LYS A 13 7.487 -7.008 -7.478 1.00 1.31 N +ATOM 195 H LYS A 13 9.046 -2.846 -2.320 1.00 0.25 H +ATOM 196 HA LYS A 13 6.992 -4.742 -2.727 1.00 0.23 H +ATOM 197 HB2 LYS A 13 8.804 -4.497 -4.330 1.00 0.25 H +ATOM 198 HB3 LYS A 13 9.977 -5.055 -3.135 1.00 0.24 H +ATOM 199 HG2 LYS A 13 9.379 -7.249 -3.367 1.00 0.27 H +ATOM 200 HG3 LYS A 13 7.669 -6.865 -3.541 1.00 0.29 H +ATOM 201 HD2 LYS A 13 9.360 -5.995 -5.818 1.00 0.28 H +ATOM 202 HD3 LYS A 13 9.265 -7.740 -5.592 1.00 0.26 H +ATOM 203 HE2 LYS A 13 6.800 -7.611 -5.574 1.00 0.79 H +ATOM 204 HE3 LYS A 13 6.893 -5.867 -5.804 1.00 0.68 H +ATOM 205 HZ1 LYS A 13 8.485 -6.959 -7.763 1.00 1.86 H +ATOM 206 HZ2 LYS A 13 7.099 -7.941 -7.729 1.00 1.81 H +ATOM 207 HZ3 LYS A 13 6.951 -6.265 -7.970 1.00 1.84 H +ATOM 208 N GLU A 14 9.098 -5.471 -0.308 1.00 0.21 N +ATOM 209 CA GLU A 14 9.261 -6.386 0.858 1.00 0.22 C +ATOM 210 C GLU A 14 8.133 -6.128 1.855 1.00 0.20 C +ATOM 211 O GLU A 14 7.490 -7.041 2.335 1.00 0.25 O +ATOM 212 CB GLU A 14 10.612 -6.135 1.537 1.00 0.25 C +ATOM 213 CG GLU A 14 11.697 -5.881 0.478 1.00 0.31 C +ATOM 214 CD GLU A 14 12.930 -6.738 0.780 1.00 1.01 C +ATOM 215 OE1 GLU A 14 13.319 -6.794 1.935 1.00 1.70 O +ATOM 216 OE2 GLU A 14 13.463 -7.322 -0.149 1.00 1.70 O +ATOM 217 H GLU A 14 9.704 -4.705 -0.422 1.00 0.24 H +ATOM 218 HA GLU A 14 9.212 -7.408 0.521 1.00 0.24 H +ATOM 219 HB2 GLU A 14 10.532 -5.272 2.184 1.00 0.29 H +ATOM 220 HB3 GLU A 14 10.879 -6.999 2.127 1.00 0.30 H +ATOM 221 HG2 GLU A 14 11.319 -6.135 -0.502 1.00 0.50 H +ATOM 222 HG3 GLU A 14 11.977 -4.839 0.496 1.00 0.67 H +ATOM 223 N ALA A 15 7.886 -4.887 2.165 1.00 0.17 N +ATOM 224 CA ALA A 15 6.795 -4.564 3.126 1.00 0.17 C +ATOM 225 C ALA A 15 5.462 -5.031 2.538 1.00 0.15 C +ATOM 226 O ALA A 15 4.536 -5.357 3.252 1.00 0.17 O +ATOM 227 CB ALA A 15 6.750 -3.050 3.369 1.00 0.19 C +ATOM 228 H ALA A 15 8.416 -4.169 1.761 1.00 0.19 H +ATOM 229 HA ALA A 15 6.974 -5.077 4.059 1.00 0.18 H +ATOM 230 HB1 ALA A 15 7.226 -2.536 2.543 1.00 0.98 H +ATOM 231 HB2 ALA A 15 5.722 -2.726 3.450 1.00 1.05 H +ATOM 232 HB3 ALA A 15 7.272 -2.816 4.285 1.00 0.99 H +ATOM 233 N PHE A 16 5.363 -5.067 1.240 1.00 0.15 N +ATOM 234 CA PHE A 16 4.097 -5.514 0.600 1.00 0.14 C +ATOM 235 C PHE A 16 3.994 -7.033 0.688 1.00 0.15 C +ATOM 236 O PHE A 16 3.002 -7.577 1.132 1.00 0.15 O +ATOM 237 CB PHE A 16 4.102 -5.096 -0.867 1.00 0.16 C +ATOM 238 CG PHE A 16 2.756 -5.388 -1.484 1.00 0.16 C +ATOM 239 CD1 PHE A 16 1.752 -4.409 -1.462 1.00 0.16 C +ATOM 240 CD2 PHE A 16 2.519 -6.626 -2.102 1.00 0.17 C +ATOM 241 CE1 PHE A 16 0.509 -4.667 -2.051 1.00 0.17 C +ATOM 242 CE2 PHE A 16 1.281 -6.878 -2.700 1.00 0.18 C +ATOM 243 CZ PHE A 16 0.279 -5.900 -2.672 1.00 0.18 C +ATOM 244 H PHE A 16 6.124 -4.800 0.684 1.00 0.16 H +ATOM 245 HA PHE A 16 3.258 -5.063 1.099 1.00 0.14 H +ATOM 246 HB2 PHE A 16 4.307 -4.038 -0.937 1.00 0.17 H +ATOM 247 HB3 PHE A 16 4.866 -5.647 -1.394 1.00 0.18 H +ATOM 248 HD1 PHE A 16 1.935 -3.460 -0.981 1.00 0.17 H +ATOM 249 HD2 PHE A 16 3.288 -7.389 -2.110 1.00 0.18 H +ATOM 250 HE1 PHE A 16 -0.277 -3.914 -2.024 1.00 0.18 H +ATOM 251 HE2 PHE A 16 1.095 -7.832 -3.179 1.00 0.19 H +ATOM 252 HZ PHE A 16 -0.667 -6.094 -3.138 1.00 0.19 H +ATOM 253 N SER A 17 5.013 -7.720 0.262 1.00 0.19 N +ATOM 254 CA SER A 17 4.984 -9.206 0.310 1.00 0.20 C +ATOM 255 C SER A 17 4.740 -9.669 1.749 1.00 0.17 C +ATOM 256 O SER A 17 4.160 -10.709 1.987 1.00 0.21 O +ATOM 257 CB SER A 17 6.323 -9.756 -0.182 1.00 0.26 C +ATOM 258 OG SER A 17 7.377 -8.961 0.343 1.00 1.31 O +ATOM 259 H SER A 17 5.798 -7.256 -0.095 1.00 0.23 H +ATOM 260 HA SER A 17 4.190 -9.565 -0.329 1.00 0.21 H +ATOM 261 HB2 SER A 17 6.443 -10.772 0.155 1.00 0.84 H +ATOM 262 HB3 SER A 17 6.345 -9.732 -1.264 1.00 0.88 H +ATOM 263 HG SER A 17 8.139 -9.529 0.474 1.00 1.79 H +ATOM 264 N LEU A 18 5.184 -8.907 2.711 1.00 0.17 N +ATOM 265 CA LEU A 18 4.983 -9.304 4.136 1.00 0.16 C +ATOM 266 C LEU A 18 3.539 -9.760 4.365 1.00 0.14 C +ATOM 267 O LEU A 18 3.268 -10.547 5.251 1.00 0.17 O +ATOM 268 CB LEU A 18 5.282 -8.106 5.050 1.00 0.18 C +ATOM 269 CG LEU A 18 6.715 -8.197 5.592 1.00 0.20 C +ATOM 270 CD1 LEU A 18 7.128 -6.852 6.218 1.00 0.28 C +ATOM 271 CD2 LEU A 18 6.776 -9.300 6.657 1.00 0.21 C +ATOM 272 H LEU A 18 5.654 -8.073 2.497 1.00 0.22 H +ATOM 273 HA LEU A 18 5.652 -10.115 4.375 1.00 0.18 H +ATOM 274 HB2 LEU A 18 5.169 -7.194 4.486 1.00 0.23 H +ATOM 275 HB3 LEU A 18 4.590 -8.103 5.877 1.00 0.20 H +ATOM 276 HG LEU A 18 7.389 -8.438 4.783 1.00 0.24 H +ATOM 277 HD11 LEU A 18 6.358 -6.114 6.049 1.00 1.03 H +ATOM 278 HD12 LEU A 18 7.274 -6.976 7.282 1.00 1.02 H +ATOM 279 HD13 LEU A 18 8.052 -6.517 5.769 1.00 1.10 H +ATOM 280 HD21 LEU A 18 5.819 -9.373 7.157 1.00 0.99 H +ATOM 281 HD22 LEU A 18 7.009 -10.243 6.187 1.00 1.05 H +ATOM 282 HD23 LEU A 18 7.540 -9.062 7.381 1.00 1.08 H +ATOM 283 N PHE A 19 2.610 -9.263 3.594 1.00 0.13 N +ATOM 284 CA PHE A 19 1.184 -9.661 3.794 1.00 0.14 C +ATOM 285 C PHE A 19 0.632 -10.298 2.519 1.00 0.16 C +ATOM 286 O PHE A 19 -0.552 -10.251 2.252 1.00 0.20 O +ATOM 287 CB PHE A 19 0.379 -8.420 4.158 1.00 0.15 C +ATOM 288 CG PHE A 19 1.106 -7.704 5.260 1.00 0.13 C +ATOM 289 CD1 PHE A 19 2.255 -6.961 4.969 1.00 0.13 C +ATOM 290 CD2 PHE A 19 0.645 -7.803 6.572 1.00 0.16 C +ATOM 291 CE1 PHE A 19 2.946 -6.310 5.997 1.00 0.14 C +ATOM 292 CE2 PHE A 19 1.332 -7.152 7.603 1.00 0.17 C +ATOM 293 CZ PHE A 19 2.484 -6.406 7.316 1.00 0.15 C +ATOM 294 H PHE A 19 2.845 -8.619 2.895 1.00 0.15 H +ATOM 295 HA PHE A 19 1.115 -10.369 4.607 1.00 0.15 H +ATOM 296 HB2 PHE A 19 0.297 -7.776 3.304 1.00 0.16 H +ATOM 297 HB3 PHE A 19 -0.604 -8.706 4.498 1.00 0.17 H +ATOM 298 HD1 PHE A 19 2.605 -6.887 3.949 1.00 0.14 H +ATOM 299 HD2 PHE A 19 -0.246 -8.379 6.788 1.00 0.18 H +ATOM 300 HE1 PHE A 19 3.838 -5.739 5.774 1.00 0.15 H +ATOM 301 HE2 PHE A 19 0.978 -7.230 8.617 1.00 0.20 H +ATOM 302 HZ PHE A 19 3.015 -5.904 8.112 1.00 0.18 H +ATOM 303 N ASP A 20 1.482 -10.914 1.741 1.00 0.16 N +ATOM 304 CA ASP A 20 1.013 -11.580 0.493 1.00 0.19 C +ATOM 305 C ASP A 20 0.882 -13.081 0.777 1.00 0.25 C +ATOM 306 O ASP A 20 1.596 -13.896 0.228 1.00 0.27 O +ATOM 307 CB ASP A 20 2.034 -11.354 -0.624 1.00 0.20 C +ATOM 308 CG ASP A 20 1.599 -12.116 -1.878 1.00 0.25 C +ATOM 309 OD1 ASP A 20 1.989 -13.264 -2.015 1.00 1.10 O +ATOM 310 OD2 ASP A 20 0.885 -11.537 -2.681 1.00 1.12 O +ATOM 311 H ASP A 20 2.429 -10.953 1.988 1.00 0.16 H +ATOM 312 HA ASP A 20 0.058 -11.169 0.199 1.00 0.21 H +ATOM 313 HB2 ASP A 20 2.093 -10.299 -0.848 1.00 0.20 H +ATOM 314 HB3 ASP A 20 3.002 -11.710 -0.306 1.00 0.20 H +ATOM 315 N LYS A 21 -0.004 -13.441 1.668 1.00 0.30 N +ATOM 316 CA LYS A 21 -0.173 -14.879 2.045 1.00 0.38 C +ATOM 317 C LYS A 21 -0.879 -15.662 0.943 1.00 0.39 C +ATOM 318 O LYS A 21 -1.092 -16.853 1.053 1.00 0.45 O +ATOM 319 CB LYS A 21 -1.007 -14.963 3.320 1.00 0.45 C +ATOM 320 CG LYS A 21 -0.338 -14.154 4.438 1.00 0.46 C +ATOM 321 CD LYS A 21 0.757 -14.995 5.102 1.00 0.53 C +ATOM 322 CE LYS A 21 1.333 -14.244 6.308 1.00 0.58 C +ATOM 323 NZ LYS A 21 1.827 -15.227 7.312 1.00 1.49 N +ATOM 324 H LYS A 21 -0.543 -12.756 2.114 1.00 0.29 H +ATOM 325 HA LYS A 21 0.792 -15.312 2.219 1.00 0.40 H +ATOM 326 HB2 LYS A 21 -1.990 -14.560 3.123 1.00 0.46 H +ATOM 327 HB3 LYS A 21 -1.097 -15.995 3.624 1.00 0.52 H +ATOM 328 HG2 LYS A 21 0.099 -13.257 4.023 1.00 0.39 H +ATOM 329 HG3 LYS A 21 -1.078 -13.884 5.176 1.00 0.51 H +ATOM 330 HD2 LYS A 21 0.338 -15.935 5.432 1.00 0.62 H +ATOM 331 HD3 LYS A 21 1.545 -15.184 4.389 1.00 0.49 H +ATOM 332 HE2 LYS A 21 2.152 -13.618 5.985 1.00 1.14 H +ATOM 333 HE3 LYS A 21 0.566 -13.629 6.755 1.00 1.08 H +ATOM 334 HZ1 LYS A 21 2.535 -15.849 6.869 1.00 2.06 H +ATOM 335 HZ2 LYS A 21 2.259 -14.721 8.110 1.00 2.01 H +ATOM 336 HZ3 LYS A 21 1.030 -15.799 7.658 1.00 2.00 H +ATOM 337 N ASP A 22 -1.247 -15.008 -0.108 1.00 0.36 N +ATOM 338 CA ASP A 22 -1.949 -15.708 -1.223 1.00 0.39 C +ATOM 339 C ASP A 22 -0.954 -16.019 -2.342 1.00 0.36 C +ATOM 340 O ASP A 22 -1.323 -16.499 -3.396 1.00 0.38 O +ATOM 341 CB ASP A 22 -3.061 -14.809 -1.764 1.00 0.41 C +ATOM 342 CG ASP A 22 -4.077 -14.530 -0.655 1.00 0.54 C +ATOM 343 OD1 ASP A 22 -4.169 -15.339 0.253 1.00 1.21 O +ATOM 344 OD2 ASP A 22 -4.744 -13.511 -0.731 1.00 1.21 O +ATOM 345 H ASP A 22 -1.067 -14.054 -0.161 1.00 0.32 H +ATOM 346 HA ASP A 22 -2.380 -16.630 -0.859 1.00 0.44 H +ATOM 347 HB2 ASP A 22 -2.635 -13.877 -2.107 1.00 0.41 H +ATOM 348 HB3 ASP A 22 -3.556 -15.303 -2.587 1.00 0.49 H +ATOM 349 N GLY A 23 0.306 -15.750 -2.126 1.00 0.33 N +ATOM 350 CA GLY A 23 1.317 -16.032 -3.184 1.00 0.34 C +ATOM 351 C GLY A 23 0.811 -15.475 -4.511 1.00 0.33 C +ATOM 352 O GLY A 23 1.265 -15.854 -5.573 1.00 0.36 O +ATOM 353 H GLY A 23 0.585 -15.361 -1.274 1.00 0.33 H +ATOM 354 HA2 GLY A 23 2.254 -15.558 -2.923 1.00 0.34 H +ATOM 355 HA3 GLY A 23 1.461 -17.097 -3.274 1.00 0.38 H +ATOM 356 N ASP A 24 -0.135 -14.578 -4.452 1.00 0.32 N +ATOM 357 CA ASP A 24 -0.691 -13.987 -5.704 1.00 0.33 C +ATOM 358 C ASP A 24 -0.056 -12.617 -5.947 1.00 0.31 C +ATOM 359 O ASP A 24 -0.326 -11.965 -6.936 1.00 0.33 O +ATOM 360 CB ASP A 24 -2.207 -13.828 -5.559 1.00 0.36 C +ATOM 361 CG ASP A 24 -2.838 -13.655 -6.941 1.00 0.43 C +ATOM 362 OD1 ASP A 24 -2.152 -13.173 -7.828 1.00 1.11 O +ATOM 363 OD2 ASP A 24 -3.997 -14.008 -7.091 1.00 1.23 O +ATOM 364 H ASP A 24 -0.485 -14.297 -3.579 1.00 0.31 H +ATOM 365 HA ASP A 24 -0.476 -14.637 -6.540 1.00 0.37 H +ATOM 366 HB2 ASP A 24 -2.617 -14.708 -5.083 1.00 0.40 H +ATOM 367 HB3 ASP A 24 -2.423 -12.959 -4.955 1.00 0.35 H +ATOM 368 N GLY A 25 0.792 -12.177 -5.058 1.00 0.27 N +ATOM 369 CA GLY A 25 1.446 -10.853 -5.249 1.00 0.26 C +ATOM 370 C GLY A 25 0.478 -9.728 -4.858 1.00 0.24 C +ATOM 371 O GLY A 25 0.600 -8.615 -5.331 1.00 0.24 O +ATOM 372 H GLY A 25 1.003 -12.718 -4.269 1.00 0.27 H +ATOM 373 HA2 GLY A 25 2.340 -10.798 -4.638 1.00 0.26 H +ATOM 374 HA3 GLY A 25 1.719 -10.739 -6.287 1.00 0.29 H +ATOM 375 N THR A 26 -0.481 -9.995 -4.000 1.00 0.22 N +ATOM 376 CA THR A 26 -1.435 -8.919 -3.598 1.00 0.20 C +ATOM 377 C THR A 26 -1.705 -8.982 -2.098 1.00 0.18 C +ATOM 378 O THR A 26 -1.265 -9.879 -1.408 1.00 0.18 O +ATOM 379 CB THR A 26 -2.751 -9.064 -4.354 1.00 0.22 C +ATOM 380 OG1 THR A 26 -3.387 -10.278 -3.977 1.00 0.23 O +ATOM 381 CG2 THR A 26 -2.474 -9.067 -5.856 1.00 0.25 C +ATOM 382 H THR A 26 -0.571 -10.891 -3.620 1.00 0.22 H +ATOM 383 HA THR A 26 -1.004 -7.964 -3.834 1.00 0.20 H +ATOM 384 HB THR A 26 -3.391 -8.227 -4.112 1.00 0.22 H +ATOM 385 HG1 THR A 26 -3.182 -10.940 -4.641 1.00 0.80 H +ATOM 386 HG21 THR A 26 -1.656 -8.394 -6.070 1.00 1.04 H +ATOM 387 HG22 THR A 26 -2.211 -10.066 -6.172 1.00 1.05 H +ATOM 388 HG23 THR A 26 -3.357 -8.742 -6.387 1.00 1.05 H +ATOM 389 N ILE A 27 -2.434 -8.025 -1.594 1.00 0.17 N +ATOM 390 CA ILE A 27 -2.754 -7.997 -0.144 1.00 0.15 C +ATOM 391 C ILE A 27 -4.198 -7.532 0.025 1.00 0.16 C +ATOM 392 O ILE A 27 -4.802 -7.028 -0.901 1.00 0.19 O +ATOM 393 CB ILE A 27 -1.808 -7.023 0.566 1.00 0.14 C +ATOM 394 CG1 ILE A 27 -1.976 -5.617 -0.029 1.00 0.15 C +ATOM 395 CG2 ILE A 27 -0.361 -7.493 0.375 1.00 0.14 C +ATOM 396 CD1 ILE A 27 -1.031 -4.638 0.674 1.00 0.16 C +ATOM 397 H ILE A 27 -2.788 -7.323 -2.179 1.00 0.18 H +ATOM 398 HA ILE A 27 -2.640 -8.986 0.276 1.00 0.16 H +ATOM 399 HB ILE A 27 -2.045 -7.004 1.619 1.00 0.14 H +ATOM 400 HG12 ILE A 27 -1.744 -5.641 -1.083 1.00 0.16 H +ATOM 401 HG13 ILE A 27 -2.994 -5.287 0.107 1.00 0.16 H +ATOM 402 HG21 ILE A 27 -0.252 -8.492 0.767 1.00 1.01 H +ATOM 403 HG22 ILE A 27 -0.117 -7.494 -0.674 1.00 1.00 H +ATOM 404 HG23 ILE A 27 0.310 -6.825 0.897 1.00 0.97 H +ATOM 405 HD11 ILE A 27 -1.242 -4.634 1.732 1.00 1.02 H +ATOM 406 HD12 ILE A 27 -0.009 -4.942 0.509 1.00 1.02 H +ATOM 407 HD13 ILE A 27 -1.178 -3.645 0.277 1.00 1.02 H +ATOM 408 N THR A 28 -4.759 -7.677 1.191 1.00 0.15 N +ATOM 409 CA THR A 28 -6.157 -7.217 1.388 1.00 0.17 C +ATOM 410 C THR A 28 -6.154 -5.790 1.920 1.00 0.14 C +ATOM 411 O THR A 28 -5.145 -5.283 2.368 1.00 0.12 O +ATOM 412 CB THR A 28 -6.857 -8.108 2.402 1.00 0.19 C +ATOM 413 OG1 THR A 28 -6.579 -7.636 3.714 1.00 0.18 O +ATOM 414 CG2 THR A 28 -6.358 -9.542 2.255 1.00 0.22 C +ATOM 415 H THR A 28 -4.264 -8.076 1.935 1.00 0.16 H +ATOM 416 HA THR A 28 -6.688 -7.257 0.450 1.00 0.19 H +ATOM 417 HB THR A 28 -7.917 -8.074 2.221 1.00 0.22 H +ATOM 418 HG1 THR A 28 -7.070 -8.179 4.336 1.00 0.56 H +ATOM 419 HG21 THR A 28 -6.195 -9.761 1.210 1.00 1.03 H +ATOM 420 HG22 THR A 28 -5.430 -9.653 2.796 1.00 0.98 H +ATOM 421 HG23 THR A 28 -7.094 -10.223 2.657 1.00 1.07 H +ATOM 422 N THR A 29 -7.281 -5.144 1.889 1.00 0.16 N +ATOM 423 CA THR A 29 -7.354 -3.758 2.408 1.00 0.14 C +ATOM 424 C THR A 29 -7.188 -3.783 3.928 1.00 0.15 C +ATOM 425 O THR A 29 -6.736 -2.829 4.530 1.00 0.16 O +ATOM 426 CB THR A 29 -8.720 -3.170 2.055 1.00 0.16 C +ATOM 427 OG1 THR A 29 -9.716 -4.168 2.231 1.00 0.22 O +ATOM 428 CG2 THR A 29 -8.727 -2.695 0.600 1.00 0.15 C +ATOM 429 H THR A 29 -8.085 -5.575 1.531 1.00 0.19 H +ATOM 430 HA THR A 29 -6.570 -3.163 1.969 1.00 0.13 H +ATOM 431 HB THR A 29 -8.929 -2.339 2.705 1.00 0.18 H +ATOM 432 HG1 THR A 29 -10.556 -3.803 1.943 1.00 0.85 H +ATOM 433 HG21 THR A 29 -7.826 -2.136 0.396 1.00 1.00 H +ATOM 434 HG22 THR A 29 -8.777 -3.551 -0.057 1.00 1.04 H +ATOM 435 HG23 THR A 29 -9.587 -2.064 0.433 1.00 1.01 H +ATOM 436 N LYS A 30 -7.560 -4.865 4.553 1.00 0.17 N +ATOM 437 CA LYS A 30 -7.434 -4.953 6.032 1.00 0.19 C +ATOM 438 C LYS A 30 -5.959 -4.914 6.438 1.00 0.18 C +ATOM 439 O LYS A 30 -5.623 -4.514 7.535 1.00 0.18 O +ATOM 440 CB LYS A 30 -8.073 -6.255 6.514 1.00 0.24 C +ATOM 441 CG LYS A 30 -9.560 -6.253 6.147 1.00 0.27 C +ATOM 442 CD LYS A 30 -10.276 -7.365 6.914 1.00 0.93 C +ATOM 443 CE LYS A 30 -11.783 -7.282 6.653 1.00 1.36 C +ATOM 444 NZ LYS A 30 -12.511 -8.057 7.698 1.00 2.00 N +ATOM 445 H LYS A 30 -7.930 -5.619 4.049 1.00 0.18 H +ATOM 446 HA LYS A 30 -7.945 -4.118 6.479 1.00 0.21 H +ATOM 447 HB2 LYS A 30 -7.585 -7.093 6.038 1.00 0.25 H +ATOM 448 HB3 LYS A 30 -7.968 -6.334 7.585 1.00 0.28 H +ATOM 449 HG2 LYS A 30 -9.993 -5.298 6.408 1.00 0.70 H +ATOM 450 HG3 LYS A 30 -9.669 -6.421 5.087 1.00 0.72 H +ATOM 451 HD2 LYS A 30 -9.904 -8.325 6.584 1.00 1.47 H +ATOM 452 HD3 LYS A 30 -10.089 -7.251 7.971 1.00 1.65 H +ATOM 453 HE2 LYS A 30 -12.098 -6.250 6.686 1.00 1.89 H +ATOM 454 HE3 LYS A 30 -12.003 -7.695 5.680 1.00 1.90 H +ATOM 455 HZ1 LYS A 30 -11.870 -8.253 8.494 1.00 2.52 H +ATOM 456 HZ2 LYS A 30 -13.324 -7.505 8.035 1.00 2.37 H +ATOM 457 HZ3 LYS A 30 -12.847 -8.954 7.294 1.00 2.41 H +ATOM 458 N GLU A 31 -5.075 -5.324 5.569 1.00 0.16 N +ATOM 459 CA GLU A 31 -3.618 -5.303 5.926 1.00 0.15 C +ATOM 460 C GLU A 31 -2.944 -4.068 5.318 1.00 0.14 C +ATOM 461 O GLU A 31 -1.774 -3.829 5.536 1.00 0.18 O +ATOM 462 CB GLU A 31 -2.918 -6.554 5.382 1.00 0.15 C +ATOM 463 CG GLU A 31 -3.644 -7.819 5.851 1.00 0.18 C +ATOM 464 CD GLU A 31 -3.369 -8.962 4.870 1.00 0.19 C +ATOM 465 OE1 GLU A 31 -3.454 -8.724 3.676 1.00 0.29 O +ATOM 466 OE2 GLU A 31 -3.078 -10.054 5.329 1.00 0.33 O +ATOM 467 H GLU A 31 -5.368 -5.647 4.686 1.00 0.16 H +ATOM 468 HA GLU A 31 -3.507 -5.273 7.001 1.00 0.16 H +ATOM 469 HB2 GLU A 31 -2.909 -6.519 4.305 1.00 0.15 H +ATOM 470 HB3 GLU A 31 -1.901 -6.577 5.745 1.00 0.15 H +ATOM 471 HG2 GLU A 31 -3.282 -8.096 6.832 1.00 0.19 H +ATOM 472 HG3 GLU A 31 -4.706 -7.634 5.894 1.00 0.19 H +ATOM 473 N LEU A 32 -3.657 -3.281 4.555 1.00 0.15 N +ATOM 474 CA LEU A 32 -3.020 -2.081 3.946 1.00 0.15 C +ATOM 475 C LEU A 32 -2.363 -1.240 5.042 1.00 0.16 C +ATOM 476 O LEU A 32 -1.173 -0.992 5.010 1.00 0.17 O +ATOM 477 CB LEU A 32 -4.067 -1.251 3.199 1.00 0.16 C +ATOM 478 CG LEU A 32 -3.466 0.103 2.796 1.00 0.17 C +ATOM 479 CD1 LEU A 32 -2.123 -0.114 2.088 1.00 0.18 C +ATOM 480 CD2 LEU A 32 -4.426 0.828 1.849 1.00 0.19 C +ATOM 481 H LEU A 32 -4.598 -3.479 4.380 1.00 0.19 H +ATOM 482 HA LEU A 32 -2.263 -2.404 3.248 1.00 0.15 H +ATOM 483 HB2 LEU A 32 -4.372 -1.787 2.315 1.00 0.17 H +ATOM 484 HB3 LEU A 32 -4.927 -1.089 3.828 1.00 0.17 H +ATOM 485 HG LEU A 32 -3.311 0.703 3.680 1.00 0.18 H +ATOM 486 HD11 LEU A 32 -2.201 -0.956 1.416 1.00 1.03 H +ATOM 487 HD12 LEU A 32 -1.865 0.771 1.525 1.00 1.06 H +ATOM 488 HD13 LEU A 32 -1.355 -0.309 2.821 1.00 1.02 H +ATOM 489 HD21 LEU A 32 -5.447 0.602 2.122 1.00 1.03 H +ATOM 490 HD22 LEU A 32 -4.263 1.894 1.919 1.00 1.02 H +ATOM 491 HD23 LEU A 32 -4.244 0.503 0.837 1.00 1.03 H +ATOM 492 N GLY A 33 -3.112 -0.803 6.018 1.00 0.17 N +ATOM 493 CA GLY A 33 -2.498 0.008 7.097 1.00 0.20 C +ATOM 494 C GLY A 33 -1.296 -0.748 7.653 1.00 0.19 C +ATOM 495 O GLY A 33 -0.246 -0.185 7.865 1.00 0.21 O +ATOM 496 H GLY A 33 -4.067 -1.013 6.045 1.00 0.18 H +ATOM 497 HA2 GLY A 33 -2.176 0.959 6.695 1.00 0.21 H +ATOM 498 HA3 GLY A 33 -3.216 0.172 7.885 1.00 0.22 H +ATOM 499 N THR A 34 -1.434 -2.026 7.884 1.00 0.18 N +ATOM 500 CA THR A 34 -0.283 -2.797 8.423 1.00 0.18 C +ATOM 501 C THR A 34 0.906 -2.663 7.469 1.00 0.17 C +ATOM 502 O THR A 34 2.018 -2.409 7.887 1.00 0.19 O +ATOM 503 CB THR A 34 -0.676 -4.270 8.590 1.00 0.19 C +ATOM 504 OG1 THR A 34 -2.042 -4.352 8.972 1.00 0.23 O +ATOM 505 CG2 THR A 34 0.193 -4.913 9.673 1.00 0.19 C +ATOM 506 H THR A 34 -2.287 -2.474 7.701 1.00 0.19 H +ATOM 507 HA THR A 34 -0.010 -2.387 9.379 1.00 0.19 H +ATOM 508 HB THR A 34 -0.530 -4.795 7.659 1.00 0.19 H +ATOM 509 HG1 THR A 34 -2.098 -4.906 9.754 1.00 0.83 H +ATOM 510 HG21 THR A 34 0.206 -4.282 10.549 1.00 0.97 H +ATOM 511 HG22 THR A 34 -0.214 -5.878 9.934 1.00 1.02 H +ATOM 512 HG23 THR A 34 1.200 -5.033 9.301 1.00 0.94 H +ATOM 513 N VAL A 35 0.684 -2.803 6.189 1.00 0.16 N +ATOM 514 CA VAL A 35 1.816 -2.648 5.230 1.00 0.16 C +ATOM 515 C VAL A 35 2.373 -1.239 5.392 1.00 0.17 C +ATOM 516 O VAL A 35 3.537 -1.043 5.684 1.00 0.18 O +ATOM 517 CB VAL A 35 1.330 -2.834 3.784 1.00 0.16 C +ATOM 518 CG1 VAL A 35 2.510 -2.669 2.821 1.00 0.18 C +ATOM 519 CG2 VAL A 35 0.737 -4.234 3.604 1.00 0.17 C +ATOM 520 H VAL A 35 -0.219 -2.988 5.865 1.00 0.16 H +ATOM 521 HA VAL A 35 2.586 -3.372 5.455 1.00 0.17 H +ATOM 522 HB VAL A 35 0.578 -2.090 3.560 1.00 0.18 H +ATOM 523 HG11 VAL A 35 3.024 -1.743 3.029 1.00 1.04 H +ATOM 524 HG12 VAL A 35 3.192 -3.497 2.948 1.00 1.03 H +ATOM 525 HG13 VAL A 35 2.143 -2.656 1.804 1.00 1.03 H +ATOM 526 HG21 VAL A 35 1.208 -4.914 4.292 1.00 0.96 H +ATOM 527 HG22 VAL A 35 -0.321 -4.204 3.800 1.00 0.93 H +ATOM 528 HG23 VAL A 35 0.905 -4.574 2.590 1.00 0.97 H +ATOM 529 N MET A 36 1.540 -0.252 5.212 1.00 0.18 N +ATOM 530 CA MET A 36 2.002 1.148 5.361 1.00 0.20 C +ATOM 531 C MET A 36 2.655 1.317 6.736 1.00 0.21 C +ATOM 532 O MET A 36 3.710 1.905 6.865 1.00 0.23 O +ATOM 533 CB MET A 36 0.798 2.082 5.244 1.00 0.21 C +ATOM 534 CG MET A 36 0.448 2.290 3.769 1.00 0.22 C +ATOM 535 SD MET A 36 1.340 3.731 3.133 1.00 0.92 S +ATOM 536 CE MET A 36 0.198 4.115 1.787 1.00 0.31 C +ATOM 537 H MET A 36 0.603 -0.433 4.984 1.00 0.18 H +ATOM 538 HA MET A 36 2.716 1.376 4.581 1.00 0.21 H +ATOM 539 HB2 MET A 36 -0.046 1.640 5.753 1.00 0.20 H +ATOM 540 HB3 MET A 36 1.033 3.035 5.695 1.00 0.23 H +ATOM 541 HG2 MET A 36 0.727 1.416 3.201 1.00 0.50 H +ATOM 542 HG3 MET A 36 -0.613 2.452 3.674 1.00 0.58 H +ATOM 543 HE1 MET A 36 -0.116 3.196 1.311 1.00 1.06 H +ATOM 544 HE2 MET A 36 -0.664 4.625 2.184 1.00 1.04 H +ATOM 545 HE3 MET A 36 0.693 4.751 1.067 1.00 1.05 H +ATOM 546 N ARG A 37 2.038 0.797 7.768 1.00 0.21 N +ATOM 547 CA ARG A 37 2.632 0.924 9.129 1.00 0.23 C +ATOM 548 C ARG A 37 3.950 0.155 9.166 1.00 0.24 C +ATOM 549 O ARG A 37 4.848 0.480 9.916 1.00 0.28 O +ATOM 550 CB ARG A 37 1.675 0.350 10.183 1.00 0.27 C +ATOM 551 CG ARG A 37 0.452 1.270 10.353 1.00 0.31 C +ATOM 552 CD ARG A 37 -0.028 1.247 11.811 1.00 1.09 C +ATOM 553 NE ARG A 37 0.317 -0.061 12.437 1.00 1.38 N +ATOM 554 CZ ARG A 37 0.280 -0.191 13.735 1.00 1.92 C +ATOM 555 NH1 ARG A 37 -0.077 0.819 14.481 1.00 2.43 N +ATOM 556 NH2 ARG A 37 0.597 -1.331 14.287 1.00 2.45 N +ATOM 557 H ARG A 37 1.191 0.321 7.645 1.00 0.21 H +ATOM 558 HA ARG A 37 2.823 1.961 9.342 1.00 0.24 H +ATOM 559 HB2 ARG A 37 1.348 -0.630 9.871 1.00 0.27 H +ATOM 560 HB3 ARG A 37 2.198 0.269 11.125 1.00 0.31 H +ATOM 561 HG2 ARG A 37 0.716 2.282 10.081 1.00 0.81 H +ATOM 562 HG3 ARG A 37 -0.347 0.929 9.714 1.00 0.99 H +ATOM 563 HD2 ARG A 37 0.451 2.045 12.360 1.00 1.73 H +ATOM 564 HD3 ARG A 37 -1.099 1.386 11.840 1.00 1.74 H +ATOM 565 HE ARG A 37 0.578 -0.820 11.875 1.00 1.73 H +ATOM 566 HH11 ARG A 37 -0.320 1.692 14.057 1.00 2.47 H +ATOM 567 HH12 ARG A 37 -0.107 0.721 15.475 1.00 3.04 H +ATOM 568 HH21 ARG A 37 0.869 -2.105 13.715 1.00 2.67 H +ATOM 569 HH22 ARG A 37 0.568 -1.429 15.282 1.00 2.91 H +ATOM 570 N SER A 38 4.077 -0.858 8.354 1.00 0.22 N +ATOM 571 CA SER A 38 5.342 -1.636 8.339 1.00 0.24 C +ATOM 572 C SER A 38 6.482 -0.714 7.908 1.00 0.23 C +ATOM 573 O SER A 38 7.622 -0.897 8.286 1.00 0.27 O +ATOM 574 CB SER A 38 5.213 -2.798 7.352 1.00 0.25 C +ATOM 575 OG SER A 38 5.561 -2.350 6.049 1.00 0.28 O +ATOM 576 H SER A 38 3.344 -1.101 7.751 1.00 0.22 H +ATOM 577 HA SER A 38 5.543 -2.017 9.328 1.00 0.26 H +ATOM 578 HB2 SER A 38 5.875 -3.597 7.641 1.00 0.29 H +ATOM 579 HB3 SER A 38 4.192 -3.160 7.358 1.00 0.32 H +ATOM 580 HG SER A 38 4.867 -2.625 5.446 1.00 0.48 H +ATOM 581 N LEU A 39 6.177 0.283 7.123 1.00 0.22 N +ATOM 582 CA LEU A 39 7.236 1.228 6.667 1.00 0.23 C +ATOM 583 C LEU A 39 7.387 2.361 7.689 1.00 0.24 C +ATOM 584 O LEU A 39 8.195 3.253 7.523 1.00 0.27 O +ATOM 585 CB LEU A 39 6.842 1.808 5.309 1.00 0.22 C +ATOM 586 CG LEU A 39 6.728 0.671 4.285 1.00 0.23 C +ATOM 587 CD1 LEU A 39 6.014 1.174 3.027 1.00 0.25 C +ATOM 588 CD2 LEU A 39 8.129 0.167 3.907 1.00 0.28 C +ATOM 589 H LEU A 39 5.249 0.411 6.833 1.00 0.21 H +ATOM 590 HA LEU A 39 8.174 0.701 6.575 1.00 0.26 H +ATOM 591 HB2 LEU A 39 5.891 2.313 5.399 1.00 0.21 H +ATOM 592 HB3 LEU A 39 7.593 2.512 4.984 1.00 0.26 H +ATOM 593 HG LEU A 39 6.159 -0.141 4.716 1.00 0.27 H +ATOM 594 HD11 LEU A 39 5.222 1.854 3.305 1.00 1.02 H +ATOM 595 HD12 LEU A 39 6.723 1.685 2.392 1.00 1.04 H +ATOM 596 HD13 LEU A 39 5.594 0.334 2.492 1.00 0.98 H +ATOM 597 HD21 LEU A 39 8.817 0.999 3.866 1.00 1.00 H +ATOM 598 HD22 LEU A 39 8.467 -0.544 4.646 1.00 1.05 H +ATOM 599 HD23 LEU A 39 8.091 -0.313 2.939 1.00 1.06 H +ATOM 600 N GLY A 40 6.629 2.324 8.755 1.00 0.24 N +ATOM 601 CA GLY A 40 6.748 3.392 9.794 1.00 0.26 C +ATOM 602 C GLY A 40 5.749 4.530 9.535 1.00 0.26 C +ATOM 603 O GLY A 40 5.844 5.586 10.128 1.00 0.27 O +ATOM 604 H GLY A 40 5.994 1.586 8.880 1.00 0.23 H +ATOM 605 HA2 GLY A 40 6.552 2.962 10.766 1.00 0.27 H +ATOM 606 HA3 GLY A 40 7.751 3.794 9.781 1.00 0.28 H +ATOM 607 N GLN A 41 4.787 4.331 8.671 1.00 0.26 N +ATOM 608 CA GLN A 41 3.788 5.413 8.401 1.00 0.27 C +ATOM 609 C GLN A 41 2.511 5.115 9.191 1.00 0.28 C +ATOM 610 O GLN A 41 2.116 3.979 9.329 1.00 0.30 O +ATOM 611 CB GLN A 41 3.467 5.453 6.905 1.00 0.27 C +ATOM 612 CG GLN A 41 4.755 5.700 6.104 1.00 0.31 C +ATOM 613 CD GLN A 41 4.461 6.631 4.924 1.00 1.21 C +ATOM 614 OE1 GLN A 41 3.834 6.233 3.963 1.00 2.01 O +ATOM 615 NE2 GLN A 41 4.891 7.863 4.959 1.00 1.99 N +ATOM 616 H GLN A 41 4.717 3.473 8.204 1.00 0.26 H +ATOM 617 HA GLN A 41 4.191 6.367 8.711 1.00 0.29 H +ATOM 618 HB2 GLN A 41 3.030 4.510 6.607 1.00 0.30 H +ATOM 619 HB3 GLN A 41 2.764 6.251 6.712 1.00 0.31 H +ATOM 620 HG2 GLN A 41 5.498 6.156 6.743 1.00 0.91 H +ATOM 621 HG3 GLN A 41 5.132 4.760 5.730 1.00 0.91 H +ATOM 622 HE21 GLN A 41 5.397 8.184 5.735 1.00 2.31 H +ATOM 623 HE22 GLN A 41 4.708 8.467 4.210 1.00 2.64 H +ATOM 624 N ASN A 42 1.865 6.120 9.727 1.00 0.29 N +ATOM 625 CA ASN A 42 0.625 5.862 10.523 1.00 0.30 C +ATOM 626 C ASN A 42 -0.506 6.808 10.098 1.00 0.30 C +ATOM 627 O ASN A 42 -0.844 7.721 10.826 1.00 0.33 O +ATOM 628 CB ASN A 42 0.931 6.086 12.006 1.00 0.36 C +ATOM 629 CG ASN A 42 -0.296 5.724 12.844 1.00 0.40 C +ATOM 630 OD1 ASN A 42 -1.414 5.996 12.455 1.00 1.18 O +ATOM 631 ND2 ASN A 42 -0.133 5.116 13.988 1.00 1.08 N +ATOM 632 H ASN A 42 2.200 7.035 9.620 1.00 0.30 H +ATOM 633 HA ASN A 42 0.307 4.841 10.383 1.00 0.30 H +ATOM 634 HB2 ASN A 42 1.765 5.464 12.299 1.00 0.41 H +ATOM 635 HB3 ASN A 42 1.182 7.124 12.170 1.00 0.38 H +ATOM 636 HD21 ASN A 42 0.768 4.897 14.303 1.00 1.87 H +ATOM 637 HD22 ASN A 42 -0.913 4.880 14.533 1.00 1.09 H +ATOM 638 N PRO A 43 -1.077 6.556 8.943 1.00 0.27 N +ATOM 639 CA PRO A 43 -2.193 7.377 8.437 1.00 0.28 C +ATOM 640 C PRO A 43 -3.418 7.161 9.332 1.00 0.29 C +ATOM 641 O PRO A 43 -3.596 6.100 9.897 1.00 0.28 O +ATOM 642 CB PRO A 43 -2.460 6.843 7.017 1.00 0.28 C +ATOM 643 CG PRO A 43 -1.559 5.595 6.809 1.00 0.26 C +ATOM 644 CD PRO A 43 -0.663 5.453 8.053 1.00 0.25 C +ATOM 645 HA PRO A 43 -1.919 8.419 8.402 1.00 0.32 H +ATOM 646 HB2 PRO A 43 -3.504 6.569 6.915 1.00 0.27 H +ATOM 647 HB3 PRO A 43 -2.207 7.597 6.287 1.00 0.30 H +ATOM 648 HG2 PRO A 43 -2.176 4.712 6.696 1.00 0.27 H +ATOM 649 HG3 PRO A 43 -0.944 5.727 5.931 1.00 0.27 H +ATOM 650 HD2 PRO A 43 -0.834 4.496 8.526 1.00 0.26 H +ATOM 651 HD3 PRO A 43 0.375 5.561 7.783 1.00 0.26 H +ATOM 652 N THR A 44 -4.270 8.140 9.469 1.00 0.32 N +ATOM 653 CA THR A 44 -5.467 7.941 10.331 1.00 0.34 C +ATOM 654 C THR A 44 -6.412 6.956 9.645 1.00 0.31 C +ATOM 655 O THR A 44 -6.188 6.543 8.524 1.00 0.29 O +ATOM 656 CB THR A 44 -6.193 9.270 10.548 1.00 0.39 C +ATOM 657 OG1 THR A 44 -6.456 9.875 9.292 1.00 0.40 O +ATOM 658 CG2 THR A 44 -5.321 10.199 11.394 1.00 0.45 C +ATOM 659 H THR A 44 -4.125 8.995 9.009 1.00 0.34 H +ATOM 660 HA THR A 44 -5.159 7.537 11.285 1.00 0.35 H +ATOM 661 HB THR A 44 -7.125 9.088 11.063 1.00 0.40 H +ATOM 662 HG1 THR A 44 -6.721 10.784 9.451 1.00 0.87 H +ATOM 663 HG21 THR A 44 -4.322 10.225 10.986 1.00 1.13 H +ATOM 664 HG22 THR A 44 -5.741 11.195 11.383 1.00 1.09 H +ATOM 665 HG23 THR A 44 -5.287 9.835 12.410 1.00 1.09 H +ATOM 666 N GLU A 45 -7.462 6.570 10.309 1.00 0.34 N +ATOM 667 CA GLU A 45 -8.415 5.606 9.697 1.00 0.33 C +ATOM 668 C GLU A 45 -9.103 6.256 8.496 1.00 0.32 C +ATOM 669 O GLU A 45 -9.248 5.650 7.454 1.00 0.29 O +ATOM 670 CB GLU A 45 -9.464 5.205 10.735 1.00 0.38 C +ATOM 671 CG GLU A 45 -8.850 4.221 11.736 1.00 0.45 C +ATOM 672 CD GLU A 45 -9.961 3.591 12.580 1.00 1.34 C +ATOM 673 OE1 GLU A 45 -11.116 3.885 12.317 1.00 2.06 O +ATOM 674 OE2 GLU A 45 -9.637 2.826 13.473 1.00 2.07 O +ATOM 675 H GLU A 45 -7.622 6.910 11.214 1.00 0.38 H +ATOM 676 HA GLU A 45 -7.877 4.731 9.365 1.00 0.31 H +ATOM 677 HB2 GLU A 45 -9.801 6.088 11.260 1.00 0.43 H +ATOM 678 HB3 GLU A 45 -10.302 4.738 10.241 1.00 0.37 H +ATOM 679 HG2 GLU A 45 -8.321 3.445 11.202 1.00 1.06 H +ATOM 680 HG3 GLU A 45 -8.164 4.746 12.383 1.00 0.92 H +ATOM 681 N ALA A 46 -9.529 7.480 8.628 1.00 0.36 N +ATOM 682 CA ALA A 46 -10.204 8.149 7.483 1.00 0.36 C +ATOM 683 C ALA A 46 -9.225 8.252 6.313 1.00 0.34 C +ATOM 684 O ALA A 46 -9.586 8.031 5.175 1.00 0.33 O +ATOM 685 CB ALA A 46 -10.676 9.546 7.901 1.00 0.43 C +ATOM 686 H ALA A 46 -9.405 7.957 9.475 1.00 0.40 H +ATOM 687 HA ALA A 46 -11.054 7.555 7.178 1.00 0.36 H +ATOM 688 HB1 ALA A 46 -9.978 9.966 8.611 1.00 1.12 H +ATOM 689 HB2 ALA A 46 -10.734 10.185 7.032 1.00 1.07 H +ATOM 690 HB3 ALA A 46 -11.652 9.473 8.359 1.00 1.05 H +ATOM 691 N GLU A 47 -7.985 8.565 6.578 1.00 0.34 N +ATOM 692 CA GLU A 47 -7.003 8.653 5.464 1.00 0.34 C +ATOM 693 C GLU A 47 -6.955 7.297 4.767 1.00 0.29 C +ATOM 694 O GLU A 47 -6.864 7.208 3.560 1.00 0.31 O +ATOM 695 CB GLU A 47 -5.616 8.991 6.015 1.00 0.36 C +ATOM 696 CG GLU A 47 -5.553 10.475 6.380 1.00 0.42 C +ATOM 697 CD GLU A 47 -4.124 10.841 6.784 1.00 0.70 C +ATOM 698 OE1 GLU A 47 -3.779 10.621 7.934 1.00 0.88 O +ATOM 699 OE2 GLU A 47 -3.398 11.336 5.937 1.00 1.37 O +ATOM 700 H GLU A 47 -7.700 8.726 7.501 1.00 0.36 H +ATOM 701 HA GLU A 47 -7.315 9.413 4.762 1.00 0.37 H +ATOM 702 HB2 GLU A 47 -5.424 8.395 6.893 1.00 0.34 H +ATOM 703 HB3 GLU A 47 -4.869 8.777 5.265 1.00 0.36 H +ATOM 704 HG2 GLU A 47 -5.851 11.069 5.529 1.00 0.66 H +ATOM 705 HG3 GLU A 47 -6.218 10.671 7.206 1.00 0.73 H +ATOM 706 N LEU A 48 -7.021 6.236 5.526 1.00 0.26 N +ATOM 707 CA LEU A 48 -6.985 4.881 4.915 1.00 0.25 C +ATOM 708 C LEU A 48 -8.302 4.608 4.180 1.00 0.25 C +ATOM 709 O LEU A 48 -8.309 4.130 3.065 1.00 0.28 O +ATOM 710 CB LEU A 48 -6.798 3.831 6.017 1.00 0.26 C +ATOM 711 CG LEU A 48 -5.330 3.785 6.464 1.00 0.24 C +ATOM 712 CD1 LEU A 48 -5.196 2.826 7.651 1.00 0.38 C +ATOM 713 CD2 LEU A 48 -4.441 3.294 5.312 1.00 0.37 C +ATOM 714 H LEU A 48 -7.096 6.332 6.502 1.00 0.27 H +ATOM 715 HA LEU A 48 -6.166 4.823 4.216 1.00 0.27 H +ATOM 716 HB2 LEU A 48 -7.420 4.089 6.862 1.00 0.31 H +ATOM 717 HB3 LEU A 48 -7.089 2.862 5.643 1.00 0.28 H +ATOM 718 HG LEU A 48 -5.017 4.774 6.766 1.00 0.35 H +ATOM 719 HD11 LEU A 48 -5.974 3.033 8.371 1.00 1.09 H +ATOM 720 HD12 LEU A 48 -5.288 1.807 7.302 1.00 0.99 H +ATOM 721 HD13 LEU A 48 -4.230 2.961 8.115 1.00 1.19 H +ATOM 722 HD21 LEU A 48 -5.012 2.650 4.659 1.00 0.99 H +ATOM 723 HD22 LEU A 48 -4.077 4.143 4.751 1.00 1.16 H +ATOM 724 HD23 LEU A 48 -3.601 2.744 5.712 1.00 1.14 H +ATOM 725 N GLN A 49 -9.416 4.892 4.798 1.00 0.26 N +ATOM 726 CA GLN A 49 -10.726 4.625 4.135 1.00 0.26 C +ATOM 727 C GLN A 49 -10.898 5.521 2.907 1.00 0.27 C +ATOM 728 O GLN A 49 -11.663 5.217 2.012 1.00 0.29 O +ATOM 729 CB GLN A 49 -11.858 4.909 5.124 1.00 0.27 C +ATOM 730 CG GLN A 49 -11.906 3.809 6.198 1.00 0.29 C +ATOM 731 CD GLN A 49 -13.038 2.827 5.884 1.00 1.09 C +ATOM 732 OE1 GLN A 49 -13.142 2.335 4.778 1.00 1.97 O +ATOM 733 NE2 GLN A 49 -13.897 2.521 6.817 1.00 1.71 N +ATOM 734 H GLN A 49 -9.395 5.269 5.704 1.00 0.28 H +ATOM 735 HA GLN A 49 -10.765 3.592 3.831 1.00 0.27 H +ATOM 736 HB2 GLN A 49 -11.683 5.867 5.595 1.00 0.28 H +ATOM 737 HB3 GLN A 49 -12.798 4.938 4.594 1.00 0.29 H +ATOM 738 HG2 GLN A 49 -10.966 3.278 6.218 1.00 0.81 H +ATOM 739 HG3 GLN A 49 -12.084 4.258 7.165 1.00 0.85 H +ATOM 740 HE21 GLN A 49 -13.814 2.919 7.709 1.00 2.04 H +ATOM 741 HE22 GLN A 49 -14.626 1.894 6.627 1.00 2.29 H +ATOM 742 N ASP A 50 -10.205 6.620 2.854 1.00 0.28 N +ATOM 743 CA ASP A 50 -10.347 7.527 1.679 1.00 0.29 C +ATOM 744 C ASP A 50 -9.620 6.912 0.483 1.00 0.31 C +ATOM 745 O ASP A 50 -10.151 6.828 -0.606 1.00 0.33 O +ATOM 746 CB ASP A 50 -9.741 8.900 2.014 1.00 0.32 C +ATOM 747 CG ASP A 50 -10.831 9.975 1.971 1.00 1.26 C +ATOM 748 OD1 ASP A 50 -11.894 9.737 2.520 1.00 2.06 O +ATOM 749 OD2 ASP A 50 -10.584 11.018 1.387 1.00 1.91 O +ATOM 750 H ASP A 50 -9.595 6.850 3.585 1.00 0.28 H +ATOM 751 HA ASP A 50 -11.394 7.637 1.438 1.00 0.30 H +ATOM 752 HB2 ASP A 50 -9.310 8.868 3.003 1.00 0.84 H +ATOM 753 HB3 ASP A 50 -8.972 9.144 1.296 1.00 0.85 H +ATOM 754 N MET A 51 -8.410 6.475 0.682 1.00 0.34 N +ATOM 755 CA MET A 51 -7.650 5.857 -0.439 1.00 0.40 C +ATOM 756 C MET A 51 -8.320 4.539 -0.823 1.00 0.40 C +ATOM 757 O MET A 51 -8.266 4.109 -1.959 1.00 0.46 O +ATOM 758 CB MET A 51 -6.209 5.588 0.002 1.00 0.45 C +ATOM 759 CG MET A 51 -5.562 6.890 0.481 1.00 0.47 C +ATOM 760 SD MET A 51 -3.770 6.661 0.601 1.00 0.69 S +ATOM 761 CE MET A 51 -3.743 5.955 2.267 1.00 0.49 C +ATOM 762 H MET A 51 -8.006 6.548 1.571 1.00 0.34 H +ATOM 763 HA MET A 51 -7.654 6.523 -1.289 1.00 0.42 H +ATOM 764 HB2 MET A 51 -6.208 4.868 0.807 1.00 0.43 H +ATOM 765 HB3 MET A 51 -5.646 5.195 -0.832 1.00 0.51 H +ATOM 766 HG2 MET A 51 -5.778 7.680 -0.223 1.00 0.55 H +ATOM 767 HG3 MET A 51 -5.955 7.155 1.451 1.00 0.44 H +ATOM 768 HE1 MET A 51 -4.459 5.147 2.326 1.00 1.02 H +ATOM 769 HE2 MET A 51 -2.758 5.575 2.483 1.00 1.19 H +ATOM 770 HE3 MET A 51 -3.997 6.721 2.986 1.00 1.21 H +ATOM 771 N ILE A 52 -8.957 3.896 0.116 1.00 0.36 N +ATOM 772 CA ILE A 52 -9.637 2.611 -0.190 1.00 0.39 C +ATOM 773 C ILE A 52 -10.819 2.878 -1.117 1.00 0.39 C +ATOM 774 O ILE A 52 -11.049 2.161 -2.067 1.00 0.43 O +ATOM 775 CB ILE A 52 -10.145 1.985 1.112 1.00 0.37 C +ATOM 776 CG1 ILE A 52 -8.961 1.426 1.908 1.00 0.37 C +ATOM 777 CG2 ILE A 52 -11.125 0.854 0.791 1.00 0.40 C +ATOM 778 CD1 ILE A 52 -9.422 1.000 3.306 1.00 0.37 C +ATOM 779 H ILE A 52 -8.992 4.261 1.023 1.00 0.34 H +ATOM 780 HA ILE A 52 -8.944 1.939 -0.671 1.00 0.43 H +ATOM 781 HB ILE A 52 -10.649 2.739 1.697 1.00 0.34 H +ATOM 782 HG12 ILE A 52 -8.557 0.575 1.391 1.00 0.36 H +ATOM 783 HG13 ILE A 52 -8.199 2.183 1.998 1.00 0.39 H +ATOM 784 HG21 ILE A 52 -10.724 0.246 -0.006 1.00 0.99 H +ATOM 785 HG22 ILE A 52 -11.274 0.244 1.669 1.00 1.12 H +ATOM 786 HG23 ILE A 52 -12.070 1.277 0.482 1.00 1.16 H +ATOM 787 HD11 ILE A 52 -10.499 1.063 3.372 1.00 1.10 H +ATOM 788 HD12 ILE A 52 -9.111 -0.018 3.490 1.00 1.04 H +ATOM 789 HD13 ILE A 52 -8.978 1.650 4.045 1.00 1.08 H +ATOM 790 N ASN A 53 -11.574 3.902 -0.843 1.00 0.38 N +ATOM 791 CA ASN A 53 -12.745 4.212 -1.703 1.00 0.40 C +ATOM 792 C ASN A 53 -12.280 4.376 -3.152 1.00 0.44 C +ATOM 793 O ASN A 53 -12.975 4.016 -4.081 1.00 0.51 O +ATOM 794 CB ASN A 53 -13.419 5.500 -1.197 1.00 0.41 C +ATOM 795 CG ASN A 53 -14.932 5.286 -1.091 1.00 1.03 C +ATOM 796 OD1 ASN A 53 -15.392 4.506 -0.281 1.00 1.75 O +ATOM 797 ND2 ASN A 53 -15.729 5.952 -1.881 1.00 1.73 N +ATOM 798 H ASN A 53 -11.374 4.465 -0.069 1.00 0.36 H +ATOM 799 HA ASN A 53 -13.442 3.395 -1.651 1.00 0.43 H +ATOM 800 HB2 ASN A 53 -13.024 5.751 -0.222 1.00 0.72 H +ATOM 801 HB3 ASN A 53 -13.223 6.310 -1.879 1.00 0.69 H +ATOM 802 HD21 ASN A 53 -15.358 6.581 -2.534 1.00 2.20 H +ATOM 803 HD22 ASN A 53 -16.699 5.822 -1.821 1.00 2.18 H +ATOM 804 N GLU A 54 -11.104 4.901 -3.351 1.00 0.45 N +ATOM 805 CA GLU A 54 -10.591 5.069 -4.741 1.00 0.49 C +ATOM 806 C GLU A 54 -10.029 3.740 -5.235 1.00 0.53 C +ATOM 807 O GLU A 54 -10.339 3.279 -6.316 1.00 0.60 O +ATOM 808 CB GLU A 54 -9.487 6.133 -4.761 1.00 0.55 C +ATOM 809 CG GLU A 54 -10.113 7.532 -4.780 1.00 0.92 C +ATOM 810 CD GLU A 54 -9.033 8.568 -5.096 1.00 1.48 C +ATOM 811 OE1 GLU A 54 -7.868 8.251 -4.922 1.00 2.09 O +ATOM 812 OE2 GLU A 54 -9.389 9.659 -5.508 1.00 2.08 O +ATOM 813 H GLU A 54 -10.550 5.168 -2.586 1.00 0.48 H +ATOM 814 HA GLU A 54 -11.395 5.368 -5.387 1.00 0.52 H +ATOM 815 HB2 GLU A 54 -8.872 6.027 -3.879 1.00 0.83 H +ATOM 816 HB3 GLU A 54 -8.877 6.004 -5.642 1.00 0.79 H +ATOM 817 HG2 GLU A 54 -10.883 7.573 -5.538 1.00 1.42 H +ATOM 818 HG3 GLU A 54 -10.545 7.749 -3.815 1.00 1.44 H +ATOM 819 N VAL A 55 -9.194 3.132 -4.449 1.00 0.55 N +ATOM 820 CA VAL A 55 -8.584 1.836 -4.859 1.00 0.65 C +ATOM 821 C VAL A 55 -9.647 0.754 -4.927 1.00 0.65 C +ATOM 822 O VAL A 55 -9.558 -0.191 -5.686 1.00 0.75 O +ATOM 823 CB VAL A 55 -7.518 1.423 -3.853 1.00 0.70 C +ATOM 824 CG1 VAL A 55 -7.061 0.002 -4.173 1.00 0.81 C +ATOM 825 CG2 VAL A 55 -6.338 2.386 -3.951 1.00 0.71 C +ATOM 826 H VAL A 55 -8.960 3.539 -3.592 1.00 0.56 H +ATOM 827 HA VAL A 55 -8.140 1.950 -5.818 1.00 0.73 H +ATOM 828 HB VAL A 55 -7.930 1.450 -2.854 1.00 0.71 H +ATOM 829 HG11 VAL A 55 -6.963 -0.112 -5.244 1.00 1.37 H +ATOM 830 HG12 VAL A 55 -6.110 -0.189 -3.699 1.00 1.19 H +ATOM 831 HG13 VAL A 55 -7.797 -0.698 -3.804 1.00 1.33 H +ATOM 832 HG21 VAL A 55 -6.708 3.399 -4.003 1.00 1.32 H +ATOM 833 HG22 VAL A 55 -5.710 2.275 -3.081 1.00 1.14 H +ATOM 834 HG23 VAL A 55 -5.767 2.165 -4.841 1.00 1.24 H +ATOM 835 N ASP A 56 -10.645 0.897 -4.136 1.00 0.56 N +ATOM 836 CA ASP A 56 -11.748 -0.106 -4.119 1.00 0.60 C +ATOM 837 C ASP A 56 -12.663 0.179 -5.299 1.00 0.69 C +ATOM 838 O ASP A 56 -13.870 0.067 -5.223 1.00 0.73 O +ATOM 839 CB ASP A 56 -12.540 -0.003 -2.812 1.00 0.52 C +ATOM 840 CG ASP A 56 -13.708 -0.990 -2.845 1.00 0.62 C +ATOM 841 OD1 ASP A 56 -13.468 -2.168 -2.640 1.00 1.09 O +ATOM 842 OD2 ASP A 56 -14.823 -0.549 -3.074 1.00 1.38 O +ATOM 843 H ASP A 56 -10.664 1.672 -3.554 1.00 0.50 H +ATOM 844 HA ASP A 56 -11.332 -1.095 -4.220 1.00 0.65 H +ATOM 845 HB2 ASP A 56 -11.894 -0.239 -1.978 1.00 0.48 H +ATOM 846 HB3 ASP A 56 -12.923 1.000 -2.700 1.00 0.50 H +ATOM 847 N ALA A 57 -12.073 0.553 -6.390 1.00 0.75 N +ATOM 848 CA ALA A 57 -12.852 0.867 -7.610 1.00 0.86 C +ATOM 849 C ALA A 57 -13.227 -0.431 -8.320 1.00 0.96 C +ATOM 850 O ALA A 57 -14.183 -0.495 -9.067 1.00 1.08 O +ATOM 851 CB ALA A 57 -11.993 1.748 -8.519 1.00 0.90 C +ATOM 852 H ALA A 57 -11.101 0.630 -6.404 1.00 0.74 H +ATOM 853 HA ALA A 57 -13.747 1.388 -7.336 1.00 0.86 H +ATOM 854 HB1 ALA A 57 -10.960 1.428 -8.455 1.00 1.32 H +ATOM 855 HB2 ALA A 57 -12.336 1.665 -9.539 1.00 1.25 H +ATOM 856 HB3 ALA A 57 -12.067 2.778 -8.193 1.00 1.41 H +ATOM 857 N ASP A 58 -12.484 -1.466 -8.076 1.00 0.94 N +ATOM 858 CA ASP A 58 -12.783 -2.775 -8.709 1.00 1.05 C +ATOM 859 C ASP A 58 -13.917 -3.449 -7.941 1.00 1.02 C +ATOM 860 O ASP A 58 -14.574 -4.346 -8.432 1.00 1.12 O +ATOM 861 CB ASP A 58 -11.532 -3.667 -8.716 1.00 1.10 C +ATOM 862 CG ASP A 58 -11.683 -4.741 -9.795 1.00 1.39 C +ATOM 863 OD1 ASP A 58 -11.873 -4.376 -10.943 1.00 1.76 O +ATOM 864 OD2 ASP A 58 -11.606 -5.910 -9.454 1.00 1.97 O +ATOM 865 H ASP A 58 -11.731 -1.383 -7.466 1.00 0.88 H +ATOM 866 HA ASP A 58 -13.104 -2.600 -9.714 1.00 1.16 H +ATOM 867 HB2 ASP A 58 -10.661 -3.065 -8.930 1.00 1.17 H +ATOM 868 HB3 ASP A 58 -11.412 -4.143 -7.755 1.00 1.11 H +ATOM 869 N GLY A 59 -14.146 -3.019 -6.734 1.00 0.90 N +ATOM 870 CA GLY A 59 -15.234 -3.623 -5.913 1.00 0.91 C +ATOM 871 C GLY A 59 -14.758 -4.945 -5.301 1.00 0.88 C +ATOM 872 O GLY A 59 -15.551 -5.746 -4.848 1.00 0.86 O +ATOM 873 H GLY A 59 -13.609 -2.284 -6.372 1.00 0.83 H +ATOM 874 HA2 GLY A 59 -15.508 -2.938 -5.123 1.00 0.90 H +ATOM 875 HA3 GLY A 59 -16.094 -3.810 -6.539 1.00 0.98 H +ATOM 876 N ASN A 60 -13.470 -5.186 -5.289 1.00 0.96 N +ATOM 877 CA ASN A 60 -12.954 -6.470 -4.709 1.00 0.99 C +ATOM 878 C ASN A 60 -12.436 -6.256 -3.284 1.00 0.92 C +ATOM 879 O ASN A 60 -12.630 -7.082 -2.414 1.00 1.61 O +ATOM 880 CB ASN A 60 -11.828 -7.025 -5.588 1.00 1.03 C +ATOM 881 CG ASN A 60 -12.346 -7.217 -7.014 1.00 1.84 C +ATOM 882 OD1 ASN A 60 -13.275 -6.553 -7.430 1.00 2.54 O +ATOM 883 ND2 ASN A 60 -11.782 -8.105 -7.786 1.00 2.51 N +ATOM 884 H ASN A 60 -12.850 -4.531 -5.672 1.00 1.03 H +ATOM 885 HA ASN A 60 -13.750 -7.179 -4.673 1.00 1.07 H +ATOM 886 HB2 ASN A 60 -10.996 -6.336 -5.595 1.00 1.31 H +ATOM 887 HB3 ASN A 60 -11.502 -7.977 -5.197 1.00 1.36 H +ATOM 888 HD21 ASN A 60 -11.034 -8.642 -7.450 1.00 2.62 H +ATOM 889 HD22 ASN A 60 -12.107 -8.236 -8.701 1.00 3.24 H +ATOM 890 N GLY A 61 -11.791 -5.161 -3.037 1.00 0.24 N +ATOM 891 CA GLY A 61 -11.266 -4.887 -1.664 1.00 0.25 C +ATOM 892 C GLY A 61 -9.852 -5.466 -1.512 1.00 0.21 C +ATOM 893 O GLY A 61 -9.490 -5.958 -0.463 1.00 0.25 O +ATOM 894 H GLY A 61 -11.657 -4.517 -3.750 1.00 0.57 H +ATOM 895 HA2 GLY A 61 -11.241 -3.818 -1.495 1.00 0.29 H +ATOM 896 HA3 GLY A 61 -11.916 -5.346 -0.934 1.00 0.36 H +ATOM 897 N THR A 62 -9.050 -5.412 -2.546 1.00 0.20 N +ATOM 898 CA THR A 62 -7.664 -5.959 -2.453 1.00 0.21 C +ATOM 899 C THR A 62 -6.691 -4.966 -3.105 1.00 0.21 C +ATOM 900 O THR A 62 -7.091 -4.108 -3.866 1.00 0.22 O +ATOM 901 CB THR A 62 -7.603 -7.295 -3.197 1.00 0.27 C +ATOM 902 OG1 THR A 62 -8.119 -7.126 -4.510 1.00 0.36 O +ATOM 903 CG2 THR A 62 -8.437 -8.336 -2.450 1.00 0.44 C +ATOM 904 H THR A 62 -9.356 -5.013 -3.386 1.00 0.24 H +ATOM 905 HA THR A 62 -7.395 -6.112 -1.413 1.00 0.24 H +ATOM 906 HB THR A 62 -6.580 -7.632 -3.252 1.00 0.25 H +ATOM 907 HG1 THR A 62 -7.489 -6.603 -5.011 1.00 0.93 H +ATOM 908 HG21 THR A 62 -9.408 -7.922 -2.220 1.00 1.08 H +ATOM 909 HG22 THR A 62 -8.558 -9.213 -3.069 1.00 1.11 H +ATOM 910 HG23 THR A 62 -7.936 -8.608 -1.533 1.00 1.17 H +ATOM 911 N ILE A 63 -5.417 -5.077 -2.820 1.00 0.19 N +ATOM 912 CA ILE A 63 -4.418 -4.143 -3.428 1.00 0.20 C +ATOM 913 C ILE A 63 -3.263 -4.954 -3.993 1.00 0.20 C +ATOM 914 O ILE A 63 -2.725 -5.816 -3.332 1.00 0.19 O +ATOM 915 CB ILE A 63 -3.873 -3.196 -2.362 1.00 0.18 C +ATOM 916 CG1 ILE A 63 -5.010 -2.812 -1.411 1.00 0.17 C +ATOM 917 CG2 ILE A 63 -3.278 -1.937 -3.018 1.00 0.19 C +ATOM 918 CD1 ILE A 63 -4.745 -1.436 -0.801 1.00 0.18 C +ATOM 919 H ILE A 63 -5.114 -5.781 -2.208 1.00 0.18 H +ATOM 920 HA ILE A 63 -4.874 -3.566 -4.211 1.00 0.22 H +ATOM 921 HB ILE A 63 -3.099 -3.704 -1.816 1.00 0.17 H +ATOM 922 HG12 ILE A 63 -5.944 -2.787 -1.954 1.00 0.18 H +ATOM 923 HG13 ILE A 63 -5.071 -3.545 -0.626 1.00 0.18 H +ATOM 924 HG21 ILE A 63 -2.521 -2.221 -3.729 1.00 0.98 H +ATOM 925 HG22 ILE A 63 -4.060 -1.387 -3.520 1.00 1.03 H +ATOM 926 HG23 ILE A 63 -2.829 -1.311 -2.259 1.00 0.97 H +ATOM 927 HD11 ILE A 63 -3.716 -1.383 -0.473 1.00 1.04 H +ATOM 928 HD12 ILE A 63 -4.926 -0.673 -1.543 1.00 1.02 H +ATOM 929 HD13 ILE A 63 -5.406 -1.283 0.037 1.00 1.05 H +ATOM 930 N ASP A 64 -2.868 -4.672 -5.197 1.00 0.22 N +ATOM 931 CA ASP A 64 -1.723 -5.408 -5.796 1.00 0.23 C +ATOM 932 C ASP A 64 -0.481 -4.524 -5.669 1.00 0.22 C +ATOM 933 O ASP A 64 -0.580 -3.345 -5.393 1.00 0.22 O +ATOM 934 CB ASP A 64 -2.010 -5.730 -7.270 1.00 0.25 C +ATOM 935 CG ASP A 64 -2.073 -4.437 -8.083 1.00 0.28 C +ATOM 936 OD1 ASP A 64 -1.899 -3.383 -7.498 1.00 0.26 O +ATOM 937 OD2 ASP A 64 -2.296 -4.523 -9.280 1.00 0.37 O +ATOM 938 H ASP A 64 -3.312 -3.963 -5.697 1.00 0.23 H +ATOM 939 HA ASP A 64 -1.561 -6.326 -5.250 1.00 0.22 H +ATOM 940 HB2 ASP A 64 -1.226 -6.362 -7.659 1.00 0.26 H +ATOM 941 HB3 ASP A 64 -2.955 -6.248 -7.349 1.00 0.26 H +ATOM 942 N PHE A 65 0.685 -5.078 -5.829 1.00 0.22 N +ATOM 943 CA PHE A 65 1.918 -4.253 -5.673 1.00 0.22 C +ATOM 944 C PHE A 65 1.928 -3.043 -6.628 1.00 0.24 C +ATOM 945 O PHE A 65 2.163 -1.937 -6.183 1.00 0.23 O +ATOM 946 CB PHE A 65 3.162 -5.118 -5.883 1.00 0.22 C +ATOM 947 CG PHE A 65 4.382 -4.310 -5.534 1.00 0.22 C +ATOM 948 CD1 PHE A 65 4.564 -3.838 -4.227 1.00 1.06 C +ATOM 949 CD2 PHE A 65 5.330 -4.030 -6.520 1.00 1.06 C +ATOM 950 CE1 PHE A 65 5.697 -3.089 -3.910 1.00 1.06 C +ATOM 951 CE2 PHE A 65 6.466 -3.282 -6.201 1.00 1.06 C +ATOM 952 CZ PHE A 65 6.649 -2.813 -4.895 1.00 0.22 C +ATOM 953 H PHE A 65 0.751 -6.036 -6.024 1.00 0.23 H +ATOM 954 HA PHE A 65 1.936 -3.874 -4.663 1.00 0.21 H +ATOM 955 HB2 PHE A 65 3.111 -5.985 -5.241 1.00 0.22 H +ATOM 956 HB3 PHE A 65 3.229 -5.436 -6.909 1.00 0.24 H +ATOM 957 HD1 PHE A 65 3.834 -4.055 -3.461 1.00 1.86 H +ATOM 958 HD2 PHE A 65 5.183 -4.392 -7.528 1.00 1.85 H +ATOM 959 HE1 PHE A 65 5.839 -2.726 -2.904 1.00 1.84 H +ATOM 960 HE2 PHE A 65 7.204 -3.073 -6.958 1.00 1.85 H +ATOM 961 HZ PHE A 65 7.522 -2.238 -4.649 1.00 0.23 H +ATOM 962 N PRO A 66 1.676 -3.251 -7.901 1.00 0.26 N +ATOM 963 CA PRO A 66 1.668 -2.137 -8.864 1.00 0.28 C +ATOM 964 C PRO A 66 0.807 -0.985 -8.332 1.00 0.28 C +ATOM 965 O PRO A 66 1.265 0.134 -8.212 1.00 0.30 O +ATOM 966 CB PRO A 66 1.081 -2.737 -10.153 1.00 0.30 C +ATOM 967 CG PRO A 66 0.940 -4.266 -9.930 1.00 0.29 C +ATOM 968 CD PRO A 66 1.380 -4.570 -8.486 1.00 0.27 C +ATOM 969 HA PRO A 66 2.674 -1.795 -9.045 1.00 0.28 H +ATOM 970 HB2 PRO A 66 0.111 -2.301 -10.356 1.00 0.31 H +ATOM 971 HB3 PRO A 66 1.746 -2.552 -10.983 1.00 0.32 H +ATOM 972 HG2 PRO A 66 -0.090 -4.563 -10.074 1.00 0.30 H +ATOM 973 HG3 PRO A 66 1.575 -4.799 -10.623 1.00 0.31 H +ATOM 974 HD2 PRO A 66 0.583 -5.056 -7.950 1.00 0.26 H +ATOM 975 HD3 PRO A 66 2.267 -5.182 -8.489 1.00 0.29 H +ATOM 976 N GLU A 67 -0.428 -1.246 -8.003 1.00 0.28 N +ATOM 977 CA GLU A 67 -1.293 -0.155 -7.472 1.00 0.29 C +ATOM 978 C GLU A 67 -0.724 0.329 -6.140 1.00 0.27 C +ATOM 979 O GLU A 67 -0.827 1.490 -5.796 1.00 0.28 O +ATOM 980 CB GLU A 67 -2.720 -0.669 -7.265 1.00 0.30 C +ATOM 981 CG GLU A 67 -3.302 -1.131 -8.605 1.00 0.34 C +ATOM 982 CD GLU A 67 -4.518 -2.026 -8.355 1.00 0.36 C +ATOM 983 OE1 GLU A 67 -4.416 -2.911 -7.520 1.00 0.40 O +ATOM 984 OE2 GLU A 67 -5.530 -1.813 -9.002 1.00 0.49 O +ATOM 985 H GLU A 67 -0.782 -2.152 -8.098 1.00 0.27 H +ATOM 986 HA GLU A 67 -1.303 0.667 -8.173 1.00 0.30 H +ATOM 987 HB2 GLU A 67 -2.712 -1.494 -6.571 1.00 0.27 H +ATOM 988 HB3 GLU A 67 -3.329 0.125 -6.867 1.00 0.33 H +ATOM 989 HG2 GLU A 67 -3.602 -0.269 -9.183 1.00 0.38 H +ATOM 990 HG3 GLU A 67 -2.554 -1.687 -9.151 1.00 0.33 H +ATOM 991 N PHE A 68 -0.109 -0.547 -5.391 1.00 0.25 N +ATOM 992 CA PHE A 68 0.476 -0.117 -4.096 1.00 0.25 C +ATOM 993 C PHE A 68 1.570 0.906 -4.393 1.00 0.24 C +ATOM 994 O PHE A 68 1.746 1.867 -3.673 1.00 0.25 O +ATOM 995 CB PHE A 68 1.065 -1.319 -3.346 1.00 0.23 C +ATOM 996 CG PHE A 68 1.549 -0.874 -1.986 1.00 0.21 C +ATOM 997 CD1 PHE A 68 0.652 -0.813 -0.908 1.00 0.20 C +ATOM 998 CD2 PHE A 68 2.893 -0.515 -1.804 1.00 0.23 C +ATOM 999 CE1 PHE A 68 1.108 -0.390 0.356 1.00 0.20 C +ATOM 1000 CE2 PHE A 68 3.341 -0.093 -0.547 1.00 0.23 C +ATOM 1001 CZ PHE A 68 2.452 -0.031 0.530 1.00 0.21 C +ATOM 1002 H PHE A 68 -0.023 -1.473 -5.687 1.00 0.25 H +ATOM 1003 HA PHE A 68 -0.293 0.343 -3.495 1.00 0.26 H +ATOM 1004 HB2 PHE A 68 0.304 -2.074 -3.225 1.00 0.22 H +ATOM 1005 HB3 PHE A 68 1.892 -1.729 -3.902 1.00 0.24 H +ATOM 1006 HD1 PHE A 68 -0.391 -1.097 -1.052 1.00 0.20 H +ATOM 1007 HD2 PHE A 68 3.587 -0.567 -2.634 1.00 0.25 H +ATOM 1008 HE1 PHE A 68 0.428 -0.339 1.196 1.00 0.20 H +ATOM 1009 HE2 PHE A 68 4.375 0.186 -0.407 1.00 0.25 H +ATOM 1010 HZ PHE A 68 2.803 0.296 1.497 1.00 0.22 H +ATOM 1011 N LEU A 69 2.296 0.716 -5.467 1.00 0.24 N +ATOM 1012 CA LEU A 69 3.363 1.693 -5.822 1.00 0.24 C +ATOM 1013 C LEU A 69 2.712 3.016 -6.226 1.00 0.27 C +ATOM 1014 O LEU A 69 3.292 4.074 -6.083 1.00 0.29 O +ATOM 1015 CB LEU A 69 4.189 1.171 -7.010 1.00 0.24 C +ATOM 1016 CG LEU A 69 5.125 0.031 -6.597 1.00 0.25 C +ATOM 1017 CD1 LEU A 69 6.198 -0.130 -7.672 1.00 0.26 C +ATOM 1018 CD2 LEU A 69 5.815 0.352 -5.275 1.00 0.31 C +ATOM 1019 H LEU A 69 2.130 -0.061 -6.045 1.00 0.24 H +ATOM 1020 HA LEU A 69 3.997 1.862 -4.970 1.00 0.25 H +ATOM 1021 HB2 LEU A 69 3.522 0.811 -7.777 1.00 0.24 H +ATOM 1022 HB3 LEU A 69 4.779 1.978 -7.407 1.00 0.25 H +ATOM 1023 HG LEU A 69 4.561 -0.887 -6.504 1.00 0.28 H +ATOM 1024 HD11 LEU A 69 6.736 0.802 -7.778 1.00 1.02 H +ATOM 1025 HD12 LEU A 69 6.884 -0.907 -7.381 1.00 1.05 H +ATOM 1026 HD13 LEU A 69 5.734 -0.388 -8.612 1.00 1.04 H +ATOM 1027 HD21 LEU A 69 6.017 1.412 -5.219 1.00 1.05 H +ATOM 1028 HD22 LEU A 69 5.179 0.055 -4.453 1.00 1.00 H +ATOM 1029 HD23 LEU A 69 6.745 -0.189 -5.224 1.00 1.11 H +ATOM 1030 N THR A 70 1.512 2.965 -6.730 1.00 0.29 N +ATOM 1031 CA THR A 70 0.828 4.215 -7.141 1.00 0.32 C +ATOM 1032 C THR A 70 0.475 5.009 -5.888 1.00 0.36 C +ATOM 1033 O THR A 70 0.391 6.222 -5.907 1.00 0.35 O +ATOM 1034 CB THR A 70 -0.436 3.851 -7.938 1.00 0.36 C +ATOM 1035 OG1 THR A 70 -0.058 3.131 -9.103 1.00 0.37 O +ATOM 1036 CG2 THR A 70 -1.188 5.119 -8.348 1.00 0.43 C +ATOM 1037 H THR A 70 1.059 2.104 -6.835 1.00 0.29 H +ATOM 1038 HA THR A 70 1.495 4.802 -7.754 1.00 0.32 H +ATOM 1039 HB THR A 70 -1.082 3.231 -7.332 1.00 0.37 H +ATOM 1040 HG1 THR A 70 -0.602 2.342 -9.153 1.00 0.98 H +ATOM 1041 HG21 THR A 70 -0.481 5.911 -8.545 1.00 1.08 H +ATOM 1042 HG22 THR A 70 -1.763 4.922 -9.241 1.00 1.03 H +ATOM 1043 HG23 THR A 70 -1.853 5.416 -7.553 1.00 1.05 H +ATOM 1044 N MET A 71 0.303 4.335 -4.788 1.00 0.44 N +ATOM 1045 CA MET A 71 -0.008 5.056 -3.520 1.00 0.50 C +ATOM 1046 C MET A 71 1.285 5.680 -2.988 1.00 0.48 C +ATOM 1047 O MET A 71 1.327 6.840 -2.629 1.00 0.48 O +ATOM 1048 CB MET A 71 -0.570 4.087 -2.469 1.00 0.66 C +ATOM 1049 CG MET A 71 -1.949 3.564 -2.909 1.00 0.70 C +ATOM 1050 SD MET A 71 -3.151 3.824 -1.577 1.00 0.83 S +ATOM 1051 CE MET A 71 -3.578 2.088 -1.284 1.00 0.52 C +ATOM 1052 H MET A 71 0.402 3.359 -4.795 1.00 0.48 H +ATOM 1053 HA MET A 71 -0.730 5.836 -3.716 1.00 0.51 H +ATOM 1054 HB2 MET A 71 0.110 3.256 -2.344 1.00 1.43 H +ATOM 1055 HB3 MET A 71 -0.669 4.607 -1.528 1.00 1.42 H +ATOM 1056 HG2 MET A 71 -2.279 4.094 -3.792 1.00 1.34 H +ATOM 1057 HG3 MET A 71 -1.879 2.509 -3.130 1.00 1.34 H +ATOM 1058 HE1 MET A 71 -3.684 1.574 -2.229 1.00 1.12 H +ATOM 1059 HE2 MET A 71 -2.799 1.620 -0.696 1.00 1.07 H +ATOM 1060 HE3 MET A 71 -4.511 2.037 -0.746 1.00 1.10 H +ATOM 1061 N MET A 72 2.344 4.913 -2.940 1.00 0.48 N +ATOM 1062 CA MET A 72 3.638 5.449 -2.436 1.00 0.48 C +ATOM 1063 C MET A 72 4.071 6.647 -3.279 1.00 0.43 C +ATOM 1064 O MET A 72 4.570 7.625 -2.761 1.00 0.48 O +ATOM 1065 CB MET A 72 4.716 4.366 -2.531 1.00 0.51 C +ATOM 1066 CG MET A 72 4.255 3.102 -1.800 1.00 0.54 C +ATOM 1067 SD MET A 72 3.618 3.531 -0.161 1.00 1.05 S +ATOM 1068 CE MET A 72 5.205 3.887 0.636 1.00 0.51 C +ATOM 1069 H MET A 72 2.287 3.982 -3.234 1.00 0.49 H +ATOM 1070 HA MET A 72 3.526 5.756 -1.409 1.00 0.53 H +ATOM 1071 HB2 MET A 72 4.896 4.133 -3.571 1.00 0.54 H +ATOM 1072 HB3 MET A 72 5.630 4.728 -2.084 1.00 0.54 H +ATOM 1073 HG2 MET A 72 3.475 2.625 -2.370 1.00 0.92 H +ATOM 1074 HG3 MET A 72 5.089 2.424 -1.695 1.00 0.86 H +ATOM 1075 HE1 MET A 72 6.003 3.819 -0.091 1.00 1.26 H +ATOM 1076 HE2 MET A 72 5.186 4.881 1.052 1.00 1.05 H +ATOM 1077 HE3 MET A 72 5.371 3.174 1.426 1.00 1.21 H +ATOM 1078 N ALA A 73 3.903 6.583 -4.574 1.00 0.35 N +ATOM 1079 CA ALA A 73 4.334 7.726 -5.418 1.00 0.33 C +ATOM 1080 C ALA A 73 3.449 8.938 -5.136 1.00 0.36 C +ATOM 1081 O ALA A 73 3.869 10.069 -5.277 1.00 0.38 O +ATOM 1082 CB ALA A 73 4.233 7.337 -6.892 1.00 0.32 C +ATOM 1083 H ALA A 73 3.507 5.786 -4.991 1.00 0.34 H +ATOM 1084 HA ALA A 73 5.356 7.970 -5.180 1.00 0.35 H +ATOM 1085 HB1 ALA A 73 3.286 6.849 -7.071 1.00 1.05 H +ATOM 1086 HB2 ALA A 73 4.304 8.223 -7.504 1.00 1.00 H +ATOM 1087 HB3 ALA A 73 5.039 6.660 -7.139 1.00 1.07 H +ATOM 1088 N ARG A 74 2.230 8.717 -4.736 1.00 0.38 N +ATOM 1089 CA ARG A 74 1.329 9.866 -4.445 1.00 0.44 C +ATOM 1090 C ARG A 74 1.697 10.491 -3.091 1.00 0.45 C +ATOM 1091 O ARG A 74 1.349 11.620 -2.807 1.00 0.47 O +ATOM 1092 CB ARG A 74 -0.128 9.390 -4.416 1.00 0.52 C +ATOM 1093 CG ARG A 74 -0.647 9.187 -5.855 1.00 0.73 C +ATOM 1094 CD ARG A 74 -1.571 10.343 -6.251 1.00 1.04 C +ATOM 1095 NE ARG A 74 -2.943 10.093 -5.730 1.00 1.98 N +ATOM 1096 CZ ARG A 74 -3.782 11.083 -5.625 1.00 2.66 C +ATOM 1097 NH1 ARG A 74 -3.414 12.284 -5.976 1.00 2.85 N +ATOM 1098 NH2 ARG A 74 -4.985 10.875 -5.170 1.00 3.65 N +ATOM 1099 H ARG A 74 1.907 7.798 -4.631 1.00 0.38 H +ATOM 1100 HA ARG A 74 1.446 10.603 -5.217 1.00 0.45 H +ATOM 1101 HB2 ARG A 74 -0.186 8.456 -3.875 1.00 0.93 H +ATOM 1102 HB3 ARG A 74 -0.735 10.130 -3.914 1.00 1.03 H +ATOM 1103 HG2 ARG A 74 0.185 9.148 -6.544 1.00 1.01 H +ATOM 1104 HG3 ARG A 74 -1.197 8.262 -5.907 1.00 1.07 H +ATOM 1105 HD2 ARG A 74 -1.187 11.269 -5.842 1.00 1.24 H +ATOM 1106 HD3 ARG A 74 -1.614 10.416 -7.326 1.00 1.38 H +ATOM 1107 HE ARG A 74 -3.216 9.187 -5.471 1.00 2.52 H +ATOM 1108 HH11 ARG A 74 -2.490 12.441 -6.324 1.00 2.53 H +ATOM 1109 HH12 ARG A 74 -4.055 13.047 -5.895 1.00 3.65 H +ATOM 1110 HH21 ARG A 74 -5.264 9.953 -4.899 1.00 4.00 H +ATOM 1111 HH22 ARG A 74 -5.627 11.638 -5.088 1.00 4.26 H +ATOM 1112 N LYS A 75 2.388 9.766 -2.249 1.00 0.48 N +ATOM 1113 CA LYS A 75 2.768 10.313 -0.915 1.00 0.53 C +ATOM 1114 C LYS A 75 4.163 10.930 -0.977 1.00 0.51 C +ATOM 1115 O LYS A 75 4.432 11.953 -0.379 1.00 0.54 O +ATOM 1116 CB LYS A 75 2.769 9.174 0.109 1.00 0.59 C +ATOM 1117 CG LYS A 75 1.392 9.064 0.778 1.00 0.65 C +ATOM 1118 CD LYS A 75 1.327 10.000 1.989 1.00 1.26 C +ATOM 1119 CE LYS A 75 -0.016 9.826 2.706 1.00 1.41 C +ATOM 1120 NZ LYS A 75 0.043 8.627 3.587 1.00 1.92 N +ATOM 1121 H LYS A 75 2.651 8.860 -2.488 1.00 0.49 H +ATOM 1122 HA LYS A 75 2.063 11.062 -0.623 1.00 0.58 H +ATOM 1123 HB2 LYS A 75 2.997 8.246 -0.394 1.00 0.62 H +ATOM 1124 HB3 LYS A 75 3.520 9.366 0.859 1.00 0.61 H +ATOM 1125 HG2 LYS A 75 0.625 9.339 0.069 1.00 0.93 H +ATOM 1126 HG3 LYS A 75 1.233 8.048 1.104 1.00 1.06 H +ATOM 1127 HD2 LYS A 75 2.132 9.764 2.671 1.00 1.76 H +ATOM 1128 HD3 LYS A 75 1.424 11.023 1.657 1.00 2.10 H +ATOM 1129 HE2 LYS A 75 -0.217 10.699 3.306 1.00 2.07 H +ATOM 1130 HE3 LYS A 75 -0.806 9.701 1.979 1.00 1.74 H +ATOM 1131 HZ1 LYS A 75 0.781 7.979 3.243 1.00 2.37 H +ATOM 1132 HZ2 LYS A 75 0.266 8.925 4.557 1.00 2.32 H +ATOM 1133 HZ3 LYS A 75 -0.878 8.144 3.580 1.00 2.30 H +ATOM 1134 N MET A 76 5.051 10.305 -1.681 1.00 0.46 N +ATOM 1135 CA MET A 76 6.441 10.836 -1.773 1.00 0.53 C +ATOM 1136 C MET A 76 6.473 12.045 -2.704 1.00 0.84 C +ATOM 1137 O MET A 76 7.493 12.375 -3.276 1.00 1.39 O +ATOM 1138 CB MET A 76 7.370 9.743 -2.307 1.00 0.56 C +ATOM 1139 CG MET A 76 7.199 8.465 -1.468 1.00 0.73 C +ATOM 1140 SD MET A 76 8.771 8.034 -0.678 1.00 1.57 S +ATOM 1141 CE MET A 76 9.566 7.302 -2.130 1.00 1.23 C +ATOM 1142 H MET A 76 4.805 9.478 -2.141 1.00 0.47 H +ATOM 1143 HA MET A 76 6.772 11.139 -0.793 1.00 0.76 H +ATOM 1144 HB2 MET A 76 7.123 9.535 -3.338 1.00 0.69 H +ATOM 1145 HB3 MET A 76 8.394 10.080 -2.244 1.00 0.64 H +ATOM 1146 HG2 MET A 76 6.452 8.627 -0.704 1.00 1.17 H +ATOM 1147 HG3 MET A 76 6.885 7.653 -2.107 1.00 1.21 H +ATOM 1148 HE1 MET A 76 8.902 6.583 -2.582 1.00 1.54 H +ATOM 1149 HE2 MET A 76 9.795 8.080 -2.845 1.00 1.73 H +ATOM 1150 HE3 MET A 76 10.477 6.804 -1.827 1.00 1.63 H +ATOM 1151 N LYS A 77 5.366 12.717 -2.851 1.00 1.63 N +ATOM 1152 CA LYS A 77 5.331 13.913 -3.733 1.00 1.49 C +ATOM 1153 C LYS A 77 5.664 15.149 -2.916 1.00 1.36 C +ATOM 1154 O LYS A 77 6.796 15.580 -2.832 1.00 1.27 O +ATOM 1155 CB LYS A 77 3.932 14.054 -4.349 1.00 1.99 C +ATOM 1156 CG LYS A 77 3.881 13.265 -5.658 1.00 2.39 C +ATOM 1157 CD LYS A 77 2.426 13.058 -6.104 1.00 2.84 C +ATOM 1158 CE LYS A 77 1.956 14.262 -6.926 1.00 3.25 C +ATOM 1159 NZ LYS A 77 0.467 14.305 -6.931 1.00 3.84 N +ATOM 1160 H LYS A 77 4.558 12.438 -2.375 1.00 2.16 H +ATOM 1161 HA LYS A 77 6.049 13.811 -4.507 1.00 1.56 H +ATOM 1162 HB2 LYS A 77 3.195 13.666 -3.661 1.00 2.74 H +ATOM 1163 HB3 LYS A 77 3.727 15.095 -4.553 1.00 2.04 H +ATOM 1164 HG2 LYS A 77 4.418 13.810 -6.418 1.00 2.35 H +ATOM 1165 HG3 LYS A 77 4.348 12.305 -5.508 1.00 3.05 H +ATOM 1166 HD2 LYS A 77 2.363 12.166 -6.711 1.00 3.38 H +ATOM 1167 HD3 LYS A 77 1.790 12.946 -5.239 1.00 2.89 H +ATOM 1168 HE2 LYS A 77 2.342 15.172 -6.490 1.00 3.64 H +ATOM 1169 HE3 LYS A 77 2.316 14.167 -7.940 1.00 3.39 H +ATOM 1170 HZ1 LYS A 77 0.114 14.153 -5.963 1.00 4.03 H +ATOM 1171 HZ2 LYS A 77 0.148 15.231 -7.276 1.00 4.16 H +ATOM 1172 HZ3 LYS A 77 0.100 13.559 -7.555 1.00 4.23 H +ATOM 1173 N ASP A 78 4.670 15.717 -2.336 1.00 1.45 N +ATOM 1174 CA ASP A 78 4.858 16.951 -1.514 1.00 1.44 C +ATOM 1175 C ASP A 78 6.113 16.856 -0.649 1.00 1.23 C +ATOM 1176 O ASP A 78 6.592 17.840 -0.121 1.00 1.31 O +ATOM 1177 CB ASP A 78 3.632 17.167 -0.626 1.00 1.66 C +ATOM 1178 CG ASP A 78 3.678 18.568 -0.012 1.00 1.83 C +ATOM 1179 OD1 ASP A 78 4.614 19.293 -0.308 1.00 2.12 O +ATOM 1180 OD2 ASP A 78 2.775 18.892 0.742 1.00 2.27 O +ATOM 1181 H ASP A 78 3.781 15.334 -2.460 1.00 1.59 H +ATOM 1182 HA ASP A 78 4.971 17.777 -2.171 1.00 1.50 H +ATOM 1183 HB2 ASP A 78 2.737 17.063 -1.220 1.00 1.81 H +ATOM 1184 HB3 ASP A 78 3.627 16.431 0.164 1.00 1.67 H +ATOM 1185 N THR A 79 6.650 15.689 -0.513 1.00 1.12 N +ATOM 1186 CA THR A 79 7.891 15.512 0.305 1.00 0.97 C +ATOM 1187 C THR A 79 9.029 15.059 -0.607 1.00 0.79 C +ATOM 1188 O THR A 79 9.772 14.150 -0.294 1.00 0.77 O +ATOM 1189 CB THR A 79 7.647 14.449 1.378 1.00 1.12 C +ATOM 1190 OG1 THR A 79 8.803 14.333 2.197 1.00 1.12 O +ATOM 1191 CG2 THR A 79 7.360 13.107 0.703 1.00 1.19 C +ATOM 1192 H THR A 79 6.241 14.925 -0.963 1.00 1.23 H +ATOM 1193 HA THR A 79 8.161 16.448 0.773 1.00 0.96 H +ATOM 1194 HB THR A 79 6.802 14.734 1.984 1.00 1.27 H +ATOM 1195 HG1 THR A 79 8.765 13.485 2.646 1.00 1.44 H +ATOM 1196 HG21 THR A 79 7.183 13.266 -0.352 1.00 1.79 H +ATOM 1197 HG22 THR A 79 8.210 12.453 0.830 1.00 1.57 H +ATOM 1198 HG23 THR A 79 6.488 12.654 1.151 1.00 1.35 H +ATOM 1199 N ASP A 80 9.167 15.693 -1.733 1.00 0.76 N +ATOM 1200 CA ASP A 80 10.250 15.320 -2.683 1.00 0.67 C +ATOM 1201 C ASP A 80 11.595 15.411 -1.982 1.00 0.53 C +ATOM 1202 O ASP A 80 11.723 15.981 -0.917 1.00 0.51 O +ATOM 1203 CB ASP A 80 10.230 16.281 -3.877 1.00 0.76 C +ATOM 1204 CG ASP A 80 10.920 15.630 -5.079 1.00 1.58 C +ATOM 1205 OD1 ASP A 80 11.372 14.504 -4.941 1.00 2.32 O +ATOM 1206 OD2 ASP A 80 10.984 16.269 -6.117 1.00 2.28 O +ATOM 1207 H ASP A 80 8.555 16.422 -1.954 1.00 0.85 H +ATOM 1208 HA ASP A 80 10.108 14.311 -3.031 1.00 0.73 H +ATOM 1209 HB2 ASP A 80 9.206 16.512 -4.131 1.00 1.29 H +ATOM 1210 HB3 ASP A 80 10.750 17.191 -3.616 1.00 1.20 H +ATOM 1211 N SER A 81 12.603 14.870 -2.590 1.00 0.54 N +ATOM 1212 CA SER A 81 13.953 14.935 -1.992 1.00 0.54 C +ATOM 1213 C SER A 81 14.492 16.314 -2.305 1.00 0.50 C +ATOM 1214 O SER A 81 15.397 16.824 -1.675 1.00 0.56 O +ATOM 1215 CB SER A 81 14.832 13.856 -2.620 1.00 0.68 C +ATOM 1216 OG SER A 81 16.146 14.363 -2.806 1.00 0.99 O +ATOM 1217 H SER A 81 12.474 14.442 -3.460 1.00 0.63 H +ATOM 1218 HA SER A 81 13.890 14.799 -0.930 1.00 0.57 H +ATOM 1219 HB2 SER A 81 14.868 12.997 -1.972 1.00 0.84 H +ATOM 1220 HB3 SER A 81 14.405 13.566 -3.573 1.00 0.94 H +ATOM 1221 HG SER A 81 16.746 13.832 -2.278 1.00 1.45 H +ATOM 1222 N GLU A 82 13.902 16.913 -3.287 1.00 0.51 N +ATOM 1223 CA GLU A 82 14.300 18.278 -3.707 1.00 0.58 C +ATOM 1224 C GLU A 82 14.093 19.250 -2.545 1.00 0.54 C +ATOM 1225 O GLU A 82 14.935 20.072 -2.244 1.00 0.56 O +ATOM 1226 CB GLU A 82 13.423 18.681 -4.898 1.00 0.70 C +ATOM 1227 CG GLU A 82 14.274 18.770 -6.166 1.00 1.27 C +ATOM 1228 CD GLU A 82 13.362 18.934 -7.383 1.00 1.44 C +ATOM 1229 OE1 GLU A 82 12.521 19.818 -7.352 1.00 2.10 O +ATOM 1230 OE2 GLU A 82 13.519 18.174 -8.324 1.00 1.70 O +ATOM 1231 H GLU A 82 13.170 16.451 -3.752 1.00 0.55 H +ATOM 1232 HA GLU A 82 15.331 18.280 -3.993 1.00 0.63 H +ATOM 1233 HB2 GLU A 82 12.652 17.930 -5.035 1.00 1.27 H +ATOM 1234 HB3 GLU A 82 12.961 19.639 -4.707 1.00 1.24 H +ATOM 1235 HG2 GLU A 82 14.939 19.618 -6.095 1.00 1.85 H +ATOM 1236 HG3 GLU A 82 14.853 17.865 -6.272 1.00 1.88 H +ATOM 1237 N GLU A 83 12.975 19.153 -1.896 1.00 0.55 N +ATOM 1238 CA GLU A 83 12.685 20.057 -0.749 1.00 0.59 C +ATOM 1239 C GLU A 83 13.720 19.835 0.352 1.00 0.55 C +ATOM 1240 O GLU A 83 13.912 20.669 1.213 1.00 0.62 O +ATOM 1241 CB GLU A 83 11.276 19.767 -0.209 1.00 0.62 C +ATOM 1242 CG GLU A 83 10.247 20.605 -0.975 1.00 1.57 C +ATOM 1243 CD GLU A 83 8.865 20.420 -0.346 1.00 2.03 C +ATOM 1244 OE1 GLU A 83 8.780 20.462 0.870 1.00 2.57 O +ATOM 1245 OE2 GLU A 83 7.916 20.241 -1.091 1.00 2.54 O +ATOM 1246 H GLU A 83 12.323 18.482 -2.165 1.00 0.56 H +ATOM 1247 HA GLU A 83 12.742 21.077 -1.082 1.00 0.66 H +ATOM 1248 HB2 GLU A 83 11.050 18.717 -0.335 1.00 0.90 H +ATOM 1249 HB3 GLU A 83 11.231 20.020 0.840 1.00 0.89 H +ATOM 1250 HG2 GLU A 83 10.526 21.648 -0.931 1.00 2.10 H +ATOM 1251 HG3 GLU A 83 10.217 20.284 -2.006 1.00 2.14 H +ATOM 1252 N GLU A 84 14.383 18.717 0.333 1.00 0.48 N +ATOM 1253 CA GLU A 84 15.405 18.438 1.381 1.00 0.50 C +ATOM 1254 C GLU A 84 16.733 19.086 0.996 1.00 0.47 C +ATOM 1255 O GLU A 84 17.407 19.678 1.814 1.00 0.47 O +ATOM 1256 CB GLU A 84 15.596 16.925 1.528 1.00 0.51 C +ATOM 1257 CG GLU A 84 14.293 16.280 2.026 1.00 0.56 C +ATOM 1258 CD GLU A 84 14.614 15.192 3.054 1.00 1.26 C +ATOM 1259 OE1 GLU A 84 15.630 14.537 2.897 1.00 2.04 O +ATOM 1260 OE2 GLU A 84 13.837 15.035 3.983 1.00 1.92 O +ATOM 1261 H GLU A 84 14.207 18.063 -0.370 1.00 0.47 H +ATOM 1262 HA GLU A 84 15.074 18.848 2.316 1.00 0.56 H +ATOM 1263 HB2 GLU A 84 15.866 16.505 0.570 1.00 0.50 H +ATOM 1264 HB3 GLU A 84 16.387 16.734 2.238 1.00 0.56 H +ATOM 1265 HG2 GLU A 84 13.666 17.032 2.485 1.00 0.97 H +ATOM 1266 HG3 GLU A 84 13.768 15.838 1.192 1.00 1.12 H +ATOM 1267 N ILE A 85 17.109 18.985 -0.244 1.00 0.47 N +ATOM 1268 CA ILE A 85 18.393 19.605 -0.681 1.00 0.45 C +ATOM 1269 C ILE A 85 18.220 21.123 -0.730 1.00 0.48 C +ATOM 1270 O ILE A 85 19.070 21.866 -0.282 1.00 0.47 O +ATOM 1271 CB ILE A 85 18.789 19.095 -2.072 1.00 0.41 C +ATOM 1272 CG1 ILE A 85 19.382 17.686 -1.956 1.00 0.40 C +ATOM 1273 CG2 ILE A 85 19.839 20.037 -2.680 1.00 0.38 C +ATOM 1274 CD1 ILE A 85 19.720 17.168 -3.354 1.00 0.36 C +ATOM 1275 H ILE A 85 16.545 18.509 -0.885 1.00 0.49 H +ATOM 1276 HA ILE A 85 19.172 19.358 0.026 1.00 0.46 H +ATOM 1277 HB ILE A 85 17.916 19.070 -2.708 1.00 0.43 H +ATOM 1278 HG12 ILE A 85 20.280 17.722 -1.357 1.00 0.39 H +ATOM 1279 HG13 ILE A 85 18.665 17.026 -1.493 1.00 0.45 H +ATOM 1280 HG21 ILE A 85 20.500 20.389 -1.902 1.00 1.04 H +ATOM 1281 HG22 ILE A 85 20.414 19.512 -3.428 1.00 1.05 H +ATOM 1282 HG23 ILE A 85 19.343 20.877 -3.138 1.00 1.07 H +ATOM 1283 HD11 ILE A 85 20.421 17.845 -3.824 1.00 0.95 H +ATOM 1284 HD12 ILE A 85 20.161 16.185 -3.279 1.00 1.10 H +ATOM 1285 HD13 ILE A 85 18.819 17.116 -3.947 1.00 1.07 H +ATOM 1286 N ARG A 86 17.125 21.594 -1.265 1.00 0.52 N +ATOM 1287 CA ARG A 86 16.919 23.064 -1.324 1.00 0.56 C +ATOM 1288 C ARG A 86 16.855 23.598 0.105 1.00 0.59 C +ATOM 1289 O ARG A 86 17.389 24.646 0.407 1.00 0.58 O +ATOM 1290 CB ARG A 86 15.604 23.381 -2.052 1.00 0.61 C +ATOM 1291 CG ARG A 86 15.416 24.906 -2.154 1.00 1.15 C +ATOM 1292 CD ARG A 86 13.963 25.283 -1.833 1.00 1.30 C +ATOM 1293 NE ARG A 86 13.022 24.642 -2.811 1.00 1.61 N +ATOM 1294 CZ ARG A 86 13.235 24.700 -4.101 1.00 2.19 C +ATOM 1295 NH1 ARG A 86 14.209 25.421 -4.585 1.00 2.51 N +ATOM 1296 NH2 ARG A 86 12.437 24.066 -4.914 1.00 3.06 N +ATOM 1297 H ARG A 86 16.440 20.984 -1.616 1.00 0.54 H +ATOM 1298 HA ARG A 86 17.753 23.526 -1.849 1.00 0.52 H +ATOM 1299 HB2 ARG A 86 15.635 22.953 -3.044 1.00 1.11 H +ATOM 1300 HB3 ARG A 86 14.779 22.951 -1.503 1.00 1.20 H +ATOM 1301 HG2 ARG A 86 16.072 25.400 -1.449 1.00 1.73 H +ATOM 1302 HG3 ARG A 86 15.665 25.231 -3.147 1.00 1.71 H +ATOM 1303 HD2 ARG A 86 13.717 24.924 -0.849 1.00 1.83 H +ATOM 1304 HD3 ARG A 86 13.861 26.363 -1.852 1.00 1.75 H +ATOM 1305 HE ARG A 86 12.245 24.145 -2.475 1.00 2.08 H +ATOM 1306 HH11 ARG A 86 14.800 25.939 -3.970 1.00 2.47 H +ATOM 1307 HH12 ARG A 86 14.368 25.450 -5.573 1.00 3.19 H +ATOM 1308 HH21 ARG A 86 11.668 23.540 -4.549 1.00 3.42 H +ATOM 1309 HH22 ARG A 86 12.596 24.104 -5.900 1.00 3.61 H +ATOM 1310 N GLU A 87 16.211 22.884 0.994 1.00 0.66 N +ATOM 1311 CA GLU A 87 16.135 23.366 2.401 1.00 0.70 C +ATOM 1312 C GLU A 87 17.531 23.301 3.020 1.00 0.63 C +ATOM 1313 O GLU A 87 17.836 24.022 3.948 1.00 0.60 O +ATOM 1314 CB GLU A 87 15.153 22.507 3.216 1.00 0.80 C +ATOM 1315 CG GLU A 87 13.725 23.018 3.012 1.00 1.05 C +ATOM 1316 CD GLU A 87 12.782 22.285 3.968 1.00 1.75 C +ATOM 1317 OE1 GLU A 87 12.681 22.708 5.108 1.00 2.19 O +ATOM 1318 OE2 GLU A 87 12.179 21.313 3.545 1.00 2.55 O +ATOM 1319 H GLU A 87 15.789 22.037 0.737 1.00 0.70 H +ATOM 1320 HA GLU A 87 15.804 24.394 2.400 1.00 0.73 H +ATOM 1321 HB2 GLU A 87 15.212 21.478 2.894 1.00 1.02 H +ATOM 1322 HB3 GLU A 87 15.405 22.569 4.265 1.00 1.00 H +ATOM 1323 HG2 GLU A 87 13.689 24.079 3.214 1.00 1.40 H +ATOM 1324 HG3 GLU A 87 13.417 22.834 1.994 1.00 1.40 H +ATOM 1325 N ALA A 88 18.400 22.475 2.495 1.00 0.59 N +ATOM 1326 CA ALA A 88 19.775 22.422 3.046 1.00 0.53 C +ATOM 1327 C ALA A 88 20.522 23.611 2.470 1.00 0.45 C +ATOM 1328 O ALA A 88 21.173 24.355 3.170 1.00 0.43 O +ATOM 1329 CB ALA A 88 20.464 21.128 2.623 1.00 0.53 C +ATOM 1330 H ALA A 88 18.160 21.919 1.724 1.00 0.61 H +ATOM 1331 HA ALA A 88 19.743 22.492 4.124 1.00 0.54 H +ATOM 1332 HB1 ALA A 88 20.338 20.986 1.560 1.00 1.13 H +ATOM 1333 HB2 ALA A 88 21.517 21.193 2.857 1.00 1.26 H +ATOM 1334 HB3 ALA A 88 20.028 20.295 3.154 1.00 1.03 H +ATOM 1335 N PHE A 89 20.397 23.822 1.193 1.00 0.43 N +ATOM 1336 CA PHE A 89 21.066 24.992 0.584 1.00 0.39 C +ATOM 1337 C PHE A 89 20.463 26.236 1.228 1.00 0.42 C +ATOM 1338 O PHE A 89 21.104 27.260 1.354 1.00 0.42 O +ATOM 1339 CB PHE A 89 20.842 24.999 -0.933 1.00 0.41 C +ATOM 1340 CG PHE A 89 21.868 24.102 -1.592 1.00 0.33 C +ATOM 1341 CD1 PHE A 89 23.232 24.434 -1.529 1.00 0.25 C +ATOM 1342 CD2 PHE A 89 21.463 22.926 -2.250 1.00 0.36 C +ATOM 1343 CE1 PHE A 89 24.180 23.600 -2.124 1.00 0.22 C +ATOM 1344 CE2 PHE A 89 22.428 22.089 -2.843 1.00 0.30 C +ATOM 1345 CZ PHE A 89 23.787 22.438 -2.777 1.00 0.22 C +ATOM 1346 H PHE A 89 19.839 23.230 0.649 1.00 0.47 H +ATOM 1347 HA PHE A 89 22.124 24.953 0.801 1.00 0.33 H +ATOM 1348 HB2 PHE A 89 19.848 24.637 -1.153 1.00 0.47 H +ATOM 1349 HB3 PHE A 89 20.951 26.005 -1.307 1.00 0.44 H +ATOM 1350 HD1 PHE A 89 23.555 25.334 -1.020 1.00 0.25 H +ATOM 1351 HD2 PHE A 89 20.409 22.672 -2.308 1.00 0.45 H +ATOM 1352 HE1 PHE A 89 25.221 23.855 -2.083 1.00 0.24 H +ATOM 1353 HE2 PHE A 89 22.126 21.174 -3.344 1.00 0.33 H +ATOM 1354 HZ PHE A 89 24.539 21.810 -3.227 1.00 0.21 H +ATOM 1355 N ARG A 90 19.238 26.137 1.684 1.00 0.45 N +ATOM 1356 CA ARG A 90 18.612 27.294 2.372 1.00 0.49 C +ATOM 1357 C ARG A 90 19.398 27.523 3.659 1.00 0.39 C +ATOM 1358 O ARG A 90 19.774 28.629 3.992 1.00 0.34 O +ATOM 1359 CB ARG A 90 17.155 26.965 2.707 1.00 0.63 C +ATOM 1360 CG ARG A 90 16.433 28.236 3.161 1.00 1.10 C +ATOM 1361 CD ARG A 90 15.021 27.882 3.652 1.00 1.22 C +ATOM 1362 NE ARG A 90 14.022 28.815 3.047 1.00 1.77 N +ATOM 1363 CZ ARG A 90 14.250 30.101 2.992 1.00 2.34 C +ATOM 1364 NH1 ARG A 90 15.313 30.608 3.556 1.00 2.72 N +ATOM 1365 NH2 ARG A 90 13.397 30.885 2.391 1.00 3.08 N +ATOM 1366 H ARG A 90 18.747 25.289 1.605 1.00 0.46 H +ATOM 1367 HA ARG A 90 18.663 28.170 1.745 1.00 0.51 H +ATOM 1368 HB2 ARG A 90 16.665 26.567 1.830 1.00 0.75 H +ATOM 1369 HB3 ARG A 90 17.124 26.234 3.500 1.00 0.97 H +ATOM 1370 HG2 ARG A 90 16.993 28.697 3.962 1.00 1.49 H +ATOM 1371 HG3 ARG A 90 16.364 28.920 2.329 1.00 1.36 H +ATOM 1372 HD2 ARG A 90 14.775 26.877 3.349 1.00 1.33 H +ATOM 1373 HD3 ARG A 90 14.990 27.944 4.734 1.00 1.56 H +ATOM 1374 HE ARG A 90 13.197 28.454 2.660 1.00 2.24 H +ATOM 1375 HH11 ARG A 90 15.956 30.013 4.036 1.00 2.57 H +ATOM 1376 HH12 ARG A 90 15.485 31.592 3.507 1.00 3.49 H +ATOM 1377 HH21 ARG A 90 12.572 30.501 1.976 1.00 3.32 H +ATOM 1378 HH22 ARG A 90 13.569 31.869 2.345 1.00 3.66 H +ATOM 1379 N VAL A 91 19.674 26.459 4.361 1.00 0.40 N +ATOM 1380 CA VAL A 91 20.473 26.564 5.616 1.00 0.37 C +ATOM 1381 C VAL A 91 21.795 27.247 5.284 1.00 0.28 C +ATOM 1382 O VAL A 91 22.489 27.750 6.145 1.00 0.32 O +ATOM 1383 CB VAL A 91 20.769 25.145 6.142 1.00 0.46 C +ATOM 1384 CG1 VAL A 91 22.103 25.125 6.899 1.00 0.47 C +ATOM 1385 CG2 VAL A 91 19.646 24.689 7.083 1.00 0.57 C +ATOM 1386 H VAL A 91 19.373 25.580 4.045 1.00 0.46 H +ATOM 1387 HA VAL A 91 19.933 27.133 6.358 1.00 0.40 H +ATOM 1388 HB VAL A 91 20.843 24.465 5.303 1.00 0.46 H +ATOM 1389 HG11 VAL A 91 22.172 25.994 7.535 1.00 1.10 H +ATOM 1390 HG12 VAL A 91 22.160 24.231 7.504 1.00 1.13 H +ATOM 1391 HG13 VAL A 91 22.919 25.129 6.187 1.00 1.11 H +ATOM 1392 HG21 VAL A 91 18.692 25.016 6.698 1.00 1.20 H +ATOM 1393 HG22 VAL A 91 19.654 23.611 7.157 1.00 1.18 H +ATOM 1394 HG23 VAL A 91 19.803 25.116 8.063 1.00 1.17 H +ATOM 1395 N PHE A 92 22.172 27.211 4.039 1.00 0.25 N +ATOM 1396 CA PHE A 92 23.475 27.786 3.630 1.00 0.23 C +ATOM 1397 C PHE A 92 23.322 29.181 3.023 1.00 0.33 C +ATOM 1398 O PHE A 92 24.278 29.909 2.860 1.00 0.43 O +ATOM 1399 CB PHE A 92 24.096 26.799 2.652 1.00 0.22 C +ATOM 1400 CG PHE A 92 24.893 25.810 3.451 1.00 0.25 C +ATOM 1401 CD1 PHE A 92 24.302 24.638 3.965 1.00 0.33 C +ATOM 1402 CD2 PHE A 92 26.226 26.093 3.702 1.00 0.30 C +ATOM 1403 CE1 PHE A 92 25.066 23.758 4.730 1.00 0.45 C +ATOM 1404 CE2 PHE A 92 26.997 25.207 4.465 1.00 0.43 C +ATOM 1405 CZ PHE A 92 26.411 24.039 4.981 1.00 0.50 C +ATOM 1406 H PHE A 92 21.615 26.753 3.375 1.00 0.31 H +ATOM 1407 HA PHE A 92 24.101 27.867 4.487 1.00 0.27 H +ATOM 1408 HB2 PHE A 92 23.317 26.289 2.110 1.00 0.27 H +ATOM 1409 HB3 PHE A 92 24.745 27.308 1.968 1.00 0.25 H +ATOM 1410 HD1 PHE A 92 23.265 24.407 3.759 1.00 0.35 H +ATOM 1411 HD2 PHE A 92 26.659 26.999 3.289 1.00 0.31 H +ATOM 1412 HE1 PHE A 92 24.619 22.858 5.126 1.00 0.55 H +ATOM 1413 HE2 PHE A 92 28.036 25.423 4.660 1.00 0.51 H +ATOM 1414 HZ PHE A 92 26.994 23.357 5.575 1.00 0.64 H +ATOM 1415 N ASP A 93 22.129 29.568 2.743 1.00 0.38 N +ATOM 1416 CA ASP A 93 21.878 30.933 2.195 1.00 0.54 C +ATOM 1417 C ASP A 93 21.618 31.878 3.371 1.00 0.74 C +ATOM 1418 O ASP A 93 20.553 32.447 3.510 1.00 0.95 O +ATOM 1419 CB ASP A 93 20.658 30.907 1.270 1.00 0.79 C +ATOM 1420 CG ASP A 93 20.348 32.327 0.795 1.00 0.96 C +ATOM 1421 OD1 ASP A 93 21.185 33.193 0.992 1.00 1.53 O +ATOM 1422 OD2 ASP A 93 19.279 32.525 0.241 1.00 1.44 O +ATOM 1423 H ASP A 93 21.396 28.974 2.926 1.00 0.36 H +ATOM 1424 HA ASP A 93 22.747 31.271 1.648 1.00 0.63 H +ATOM 1425 HB2 ASP A 93 20.866 30.279 0.416 1.00 0.91 H +ATOM 1426 HB3 ASP A 93 19.807 30.515 1.808 1.00 0.92 H +ATOM 1427 N LYS A 94 22.589 32.020 4.228 1.00 0.93 N +ATOM 1428 CA LYS A 94 22.439 32.895 5.428 1.00 1.34 C +ATOM 1429 C LYS A 94 22.144 34.333 5.024 1.00 1.30 C +ATOM 1430 O LYS A 94 21.667 35.126 5.811 1.00 1.65 O +ATOM 1431 CB LYS A 94 23.733 32.856 6.236 1.00 1.77 C +ATOM 1432 CG LYS A 94 23.975 31.431 6.734 1.00 2.03 C +ATOM 1433 CD LYS A 94 25.021 31.444 7.849 1.00 2.47 C +ATOM 1434 CE LYS A 94 25.165 30.033 8.423 1.00 2.97 C +ATOM 1435 NZ LYS A 94 26.414 29.950 9.231 1.00 3.52 N +ATOM 1436 H LYS A 94 23.426 31.530 4.088 1.00 0.94 H +ATOM 1437 HA LYS A 94 21.633 32.529 6.029 1.00 1.50 H +ATOM 1438 HB2 LYS A 94 24.555 33.166 5.606 1.00 1.76 H +ATOM 1439 HB3 LYS A 94 23.653 33.525 7.081 1.00 2.00 H +ATOM 1440 HG2 LYS A 94 23.050 31.021 7.114 1.00 2.22 H +ATOM 1441 HG3 LYS A 94 24.331 30.821 5.918 1.00 1.96 H +ATOM 1442 HD2 LYS A 94 25.971 31.772 7.450 1.00 2.73 H +ATOM 1443 HD3 LYS A 94 24.706 32.118 8.631 1.00 2.73 H +ATOM 1444 HE2 LYS A 94 24.314 29.812 9.051 1.00 3.19 H +ATOM 1445 HE3 LYS A 94 25.212 29.318 7.614 1.00 3.38 H +ATOM 1446 HZ1 LYS A 94 27.185 30.436 8.731 1.00 3.77 H +ATOM 1447 HZ2 LYS A 94 26.261 30.405 10.154 1.00 3.86 H +ATOM 1448 HZ3 LYS A 94 26.667 28.951 9.374 1.00 3.88 H +ATOM 1449 N ASP A 95 22.442 34.679 3.816 1.00 1.22 N +ATOM 1450 CA ASP A 95 22.206 36.081 3.359 1.00 1.30 C +ATOM 1451 C ASP A 95 20.904 36.161 2.561 1.00 1.08 C +ATOM 1452 O ASP A 95 20.594 37.170 1.959 1.00 1.38 O +ATOM 1453 CB ASP A 95 23.369 36.513 2.467 1.00 2.07 C +ATOM 1454 CG ASP A 95 23.436 38.041 2.414 1.00 2.62 C +ATOM 1455 OD1 ASP A 95 23.448 38.651 3.470 1.00 3.00 O +ATOM 1456 OD2 ASP A 95 23.475 38.575 1.317 1.00 3.18 O +ATOM 1457 H ASP A 95 22.843 34.021 3.215 1.00 1.37 H +ATOM 1458 HA ASP A 95 22.146 36.738 4.215 1.00 1.44 H +ATOM 1459 HB2 ASP A 95 24.292 36.124 2.872 1.00 2.52 H +ATOM 1460 HB3 ASP A 95 23.219 36.123 1.472 1.00 2.33 H +ATOM 1461 N GLY A 96 20.135 35.111 2.561 1.00 1.10 N +ATOM 1462 CA GLY A 96 18.848 35.130 1.812 1.00 1.85 C +ATOM 1463 C GLY A 96 19.071 35.717 0.418 1.00 1.80 C +ATOM 1464 O GLY A 96 18.211 36.377 -0.130 1.00 2.19 O +ATOM 1465 H GLY A 96 20.401 34.312 3.058 1.00 0.86 H +ATOM 1466 HA2 GLY A 96 18.469 34.122 1.724 1.00 2.36 H +ATOM 1467 HA3 GLY A 96 18.132 35.738 2.344 1.00 2.22 H +ATOM 1468 N ASN A 97 20.224 35.496 -0.155 1.00 1.40 N +ATOM 1469 CA ASN A 97 20.502 36.062 -1.511 1.00 1.47 C +ATOM 1470 C ASN A 97 20.295 34.997 -2.602 1.00 1.35 C +ATOM 1471 O ASN A 97 20.108 35.326 -3.757 1.00 1.74 O +ATOM 1472 CB ASN A 97 21.949 36.554 -1.567 1.00 1.52 C +ATOM 1473 CG ASN A 97 22.225 37.155 -2.947 1.00 1.86 C +ATOM 1474 OD1 ASN A 97 22.868 36.540 -3.773 1.00 2.43 O +ATOM 1475 ND2 ASN A 97 21.759 38.340 -3.232 1.00 2.18 N +ATOM 1476 H ASN A 97 20.913 34.981 0.317 1.00 1.15 H +ATOM 1477 HA ASN A 97 19.839 36.894 -1.697 1.00 1.69 H +ATOM 1478 HB2 ASN A 97 22.104 37.307 -0.807 1.00 1.69 H +ATOM 1479 HB3 ASN A 97 22.619 35.725 -1.397 1.00 1.43 H +ATOM 1480 HD21 ASN A 97 21.239 38.836 -2.565 1.00 2.49 H +ATOM 1481 HD22 ASN A 97 21.929 38.734 -4.113 1.00 2.51 H +ATOM 1482 N GLY A 98 20.317 33.732 -2.264 1.00 1.02 N +ATOM 1483 CA GLY A 98 20.112 32.683 -3.303 1.00 1.02 C +ATOM 1484 C GLY A 98 21.460 32.247 -3.868 1.00 0.77 C +ATOM 1485 O GLY A 98 21.533 31.455 -4.786 1.00 0.79 O +ATOM 1486 H GLY A 98 20.461 33.469 -1.337 1.00 1.03 H +ATOM 1487 HA2 GLY A 98 19.616 31.834 -2.861 1.00 1.08 H +ATOM 1488 HA3 GLY A 98 19.508 33.080 -4.099 1.00 1.22 H +ATOM 1489 N TYR A 99 22.526 32.765 -3.331 1.00 0.61 N +ATOM 1490 CA TYR A 99 23.878 32.391 -3.839 1.00 0.41 C +ATOM 1491 C TYR A 99 24.834 32.134 -2.670 1.00 0.36 C +ATOM 1492 O TYR A 99 24.808 32.816 -1.664 1.00 0.38 O +ATOM 1493 CB TYR A 99 24.428 33.533 -4.694 1.00 0.40 C +ATOM 1494 CG TYR A 99 23.598 33.668 -5.948 1.00 0.42 C +ATOM 1495 CD1 TYR A 99 22.351 34.300 -5.894 1.00 1.16 C +ATOM 1496 CD2 TYR A 99 24.075 33.164 -7.164 1.00 1.28 C +ATOM 1497 CE1 TYR A 99 21.579 34.427 -7.054 1.00 1.17 C +ATOM 1498 CE2 TYR A 99 23.303 33.291 -8.326 1.00 1.33 C +ATOM 1499 CZ TYR A 99 22.055 33.924 -8.271 1.00 0.59 C +ATOM 1500 OH TYR A 99 21.293 34.049 -9.415 1.00 0.71 O +ATOM 1501 H TYR A 99 22.436 33.407 -2.600 1.00 0.70 H +ATOM 1502 HA TYR A 99 23.806 31.498 -4.442 1.00 0.43 H +ATOM 1503 HB2 TYR A 99 24.382 34.454 -4.131 1.00 0.54 H +ATOM 1504 HB3 TYR A 99 25.453 33.323 -4.961 1.00 0.40 H +ATOM 1505 HD1 TYR A 99 21.985 34.689 -4.956 1.00 2.00 H +ATOM 1506 HD2 TYR A 99 25.038 32.677 -7.207 1.00 2.10 H +ATOM 1507 HE1 TYR A 99 20.616 34.915 -7.011 1.00 1.99 H +ATOM 1508 HE2 TYR A 99 23.670 32.903 -9.264 1.00 2.18 H +ATOM 1509 HH TYR A 99 20.593 33.392 -9.379 1.00 1.23 H +ATOM 1510 N ILE A 100 25.700 31.170 -2.822 1.00 0.32 N +ATOM 1511 CA ILE A 100 26.702 30.861 -1.760 1.00 0.29 C +ATOM 1512 C ILE A 100 28.029 30.537 -2.449 1.00 0.27 C +ATOM 1513 O ILE A 100 28.070 30.289 -3.638 1.00 0.27 O +ATOM 1514 CB ILE A 100 26.276 29.647 -0.907 1.00 0.29 C +ATOM 1515 CG1 ILE A 100 25.901 28.466 -1.817 1.00 0.38 C +ATOM 1516 CG2 ILE A 100 25.082 30.001 -0.002 1.00 0.30 C +ATOM 1517 CD1 ILE A 100 25.387 27.293 -0.979 1.00 0.32 C +ATOM 1518 H ILE A 100 25.713 30.667 -3.661 1.00 0.31 H +ATOM 1519 HA ILE A 100 26.831 31.726 -1.123 1.00 0.32 H +ATOM 1520 HB ILE A 100 27.116 29.368 -0.285 1.00 0.34 H +ATOM 1521 HG12 ILE A 100 25.123 28.767 -2.498 1.00 0.47 H +ATOM 1522 HG13 ILE A 100 26.769 28.152 -2.377 1.00 0.51 H +ATOM 1523 HG21 ILE A 100 24.816 31.038 -0.138 1.00 1.02 H +ATOM 1524 HG22 ILE A 100 24.230 29.377 -0.250 1.00 0.93 H +ATOM 1525 HG23 ILE A 100 25.360 29.832 1.032 1.00 1.08 H +ATOM 1526 HD11 ILE A 100 25.999 27.168 -0.097 1.00 1.13 H +ATOM 1527 HD12 ILE A 100 24.366 27.485 -0.684 1.00 0.95 H +ATOM 1528 HD13 ILE A 100 25.425 26.395 -1.575 1.00 1.10 H +ATOM 1529 N SER A 101 29.113 30.524 -1.726 1.00 0.30 N +ATOM 1530 CA SER A 101 30.418 30.199 -2.373 1.00 0.31 C +ATOM 1531 C SER A 101 30.478 28.694 -2.645 1.00 0.27 C +ATOM 1532 O SER A 101 30.049 27.893 -1.839 1.00 0.28 O +ATOM 1533 CB SER A 101 31.571 30.605 -1.450 1.00 0.40 C +ATOM 1534 OG SER A 101 31.514 29.833 -0.258 1.00 0.44 O +ATOM 1535 H SER A 101 29.069 30.718 -0.767 1.00 0.35 H +ATOM 1536 HA SER A 101 30.501 30.732 -3.307 1.00 0.32 H +ATOM 1537 HB2 SER A 101 32.510 30.424 -1.945 1.00 0.42 H +ATOM 1538 HB3 SER A 101 31.493 31.659 -1.215 1.00 0.43 H +ATOM 1539 HG SER A 101 32.134 29.106 -0.345 1.00 1.06 H +ATOM 1540 N ALA A 102 31.002 28.306 -3.779 1.00 0.27 N +ATOM 1541 CA ALA A 102 31.087 26.852 -4.113 1.00 0.25 C +ATOM 1542 C ALA A 102 31.485 26.051 -2.875 1.00 0.25 C +ATOM 1543 O ALA A 102 31.019 24.952 -2.662 1.00 0.25 O +ATOM 1544 CB ALA A 102 32.137 26.643 -5.205 1.00 0.28 C +ATOM 1545 H ALA A 102 31.333 28.973 -4.418 1.00 0.31 H +ATOM 1546 HA ALA A 102 30.126 26.506 -4.467 1.00 0.24 H +ATOM 1547 HB1 ALA A 102 32.065 27.442 -5.926 1.00 1.04 H +ATOM 1548 HB2 ALA A 102 33.123 26.646 -4.764 1.00 1.08 H +ATOM 1549 HB3 ALA A 102 31.964 25.697 -5.696 1.00 1.06 H +ATOM 1550 N ALA A 103 32.341 26.588 -2.055 1.00 0.29 N +ATOM 1551 CA ALA A 103 32.753 25.841 -0.835 1.00 0.32 C +ATOM 1552 C ALA A 103 31.507 25.502 -0.030 1.00 0.29 C +ATOM 1553 O ALA A 103 31.246 24.359 0.287 1.00 0.31 O +ATOM 1554 CB ALA A 103 33.704 26.702 0.006 1.00 0.38 C +ATOM 1555 H ALA A 103 32.706 27.478 -2.239 1.00 0.30 H +ATOM 1556 HA ALA A 103 33.241 24.930 -1.123 1.00 0.34 H +ATOM 1557 HB1 ALA A 103 33.427 27.741 -0.089 1.00 1.08 H +ATOM 1558 HB2 ALA A 103 33.639 26.406 1.044 1.00 1.00 H +ATOM 1559 HB3 ALA A 103 34.717 26.566 -0.343 1.00 1.10 H +ATOM 1560 N GLU A 104 30.730 26.488 0.285 1.00 0.31 N +ATOM 1561 CA GLU A 104 29.483 26.236 1.053 1.00 0.31 C +ATOM 1562 C GLU A 104 28.594 25.283 0.246 1.00 0.26 C +ATOM 1563 O GLU A 104 27.899 24.453 0.796 1.00 0.28 O +ATOM 1564 CB GLU A 104 28.759 27.564 1.279 1.00 0.44 C +ATOM 1565 CG GLU A 104 29.297 28.235 2.547 1.00 0.82 C +ATOM 1566 CD GLU A 104 28.881 29.707 2.564 1.00 0.75 C +ATOM 1567 OE1 GLU A 104 29.049 30.362 1.549 1.00 0.62 O +ATOM 1568 OE2 GLU A 104 28.402 30.155 3.593 1.00 1.20 O +ATOM 1569 H GLU A 104 30.963 27.396 0.005 1.00 0.37 H +ATOM 1570 HA GLU A 104 29.727 25.784 2.005 1.00 0.33 H +ATOM 1571 HB2 GLU A 104 28.930 28.208 0.432 1.00 1.15 H +ATOM 1572 HB3 GLU A 104 27.702 27.387 1.388 1.00 1.15 H +ATOM 1573 HG2 GLU A 104 28.894 27.735 3.417 1.00 1.49 H +ATOM 1574 HG3 GLU A 104 30.375 28.167 2.560 1.00 1.51 H +ATOM 1575 N LEU A 105 28.628 25.386 -1.058 1.00 0.24 N +ATOM 1576 CA LEU A 105 27.803 24.475 -1.903 1.00 0.26 C +ATOM 1577 C LEU A 105 28.351 23.060 -1.762 1.00 0.24 C +ATOM 1578 O LEU A 105 27.619 22.118 -1.529 1.00 0.26 O +ATOM 1579 CB LEU A 105 27.893 24.916 -3.368 1.00 0.31 C +ATOM 1580 CG LEU A 105 26.962 24.027 -4.239 1.00 0.26 C +ATOM 1581 CD1 LEU A 105 25.723 24.790 -4.755 1.00 0.25 C +ATOM 1582 CD2 LEU A 105 27.737 23.493 -5.444 1.00 0.33 C +ATOM 1583 H LEU A 105 29.206 26.053 -1.482 1.00 0.26 H +ATOM 1584 HA LEU A 105 26.776 24.498 -1.577 1.00 0.28 H +ATOM 1585 HB2 LEU A 105 27.619 25.956 -3.439 1.00 0.35 H +ATOM 1586 HB3 LEU A 105 28.912 24.801 -3.702 1.00 0.40 H +ATOM 1587 HG LEU A 105 26.632 23.190 -3.651 1.00 0.27 H +ATOM 1588 HD11 LEU A 105 25.190 25.242 -3.929 1.00 1.03 H +ATOM 1589 HD12 LEU A 105 26.023 25.554 -5.460 1.00 1.08 H +ATOM 1590 HD13 LEU A 105 25.066 24.092 -5.255 1.00 1.03 H +ATOM 1591 HD21 LEU A 105 28.702 23.133 -5.124 1.00 1.03 H +ATOM 1592 HD22 LEU A 105 27.182 22.682 -5.890 1.00 1.12 H +ATOM 1593 HD23 LEU A 105 27.867 24.283 -6.166 1.00 1.08 H +ATOM 1594 N ARG A 106 29.638 22.907 -1.880 1.00 0.26 N +ATOM 1595 CA ARG A 106 30.237 21.557 -1.730 1.00 0.31 C +ATOM 1596 C ARG A 106 29.989 21.092 -0.298 1.00 0.30 C +ATOM 1597 O ARG A 106 29.776 19.926 -0.039 1.00 0.32 O +ATOM 1598 CB ARG A 106 31.747 21.641 -1.996 1.00 0.37 C +ATOM 1599 CG ARG A 106 32.057 21.244 -3.457 1.00 1.07 C +ATOM 1600 CD ARG A 106 33.198 22.109 -4.031 1.00 1.06 C +ATOM 1601 NE ARG A 106 34.394 21.266 -4.365 1.00 1.72 N +ATOM 1602 CZ ARG A 106 34.827 20.339 -3.548 1.00 2.35 C +ATOM 1603 NH1 ARG A 106 34.241 20.134 -2.403 1.00 2.64 N +ATOM 1604 NH2 ARG A 106 35.864 19.623 -3.879 1.00 3.32 N +ATOM 1605 H ARG A 106 30.212 23.684 -2.051 1.00 0.27 H +ATOM 1606 HA ARG A 106 29.771 20.868 -2.420 1.00 0.34 H +ATOM 1607 HB2 ARG A 106 32.077 22.654 -1.815 1.00 1.15 H +ATOM 1608 HB3 ARG A 106 32.266 20.974 -1.325 1.00 1.05 H +ATOM 1609 HG2 ARG A 106 32.340 20.204 -3.493 1.00 1.67 H +ATOM 1610 HG3 ARG A 106 31.173 21.386 -4.061 1.00 1.75 H +ATOM 1611 HD2 ARG A 106 32.856 22.581 -4.938 1.00 1.39 H +ATOM 1612 HD3 ARG A 106 33.471 22.878 -3.319 1.00 1.48 H +ATOM 1613 HE ARG A 106 34.859 21.408 -5.216 1.00 2.31 H +ATOM 1614 HH11 ARG A 106 33.455 20.685 -2.140 1.00 2.42 H +ATOM 1615 HH12 ARG A 106 34.575 19.417 -1.790 1.00 3.48 H +ATOM 1616 HH21 ARG A 106 36.324 19.783 -4.754 1.00 3.66 H +ATOM 1617 HH22 ARG A 106 36.197 18.914 -3.260 1.00 3.95 H +ATOM 1618 N HIS A 107 30.003 22.007 0.632 1.00 0.28 N +ATOM 1619 CA HIS A 107 29.759 21.643 2.048 1.00 0.29 C +ATOM 1620 C HIS A 107 28.288 21.249 2.213 1.00 0.26 C +ATOM 1621 O HIS A 107 27.963 20.302 2.899 1.00 0.29 O +ATOM 1622 CB HIS A 107 30.083 22.851 2.931 1.00 0.32 C +ATOM 1623 CG HIS A 107 30.373 22.389 4.330 1.00 0.43 C +ATOM 1624 ND1 HIS A 107 31.445 21.563 4.631 1.00 0.67 N +ATOM 1625 CD2 HIS A 107 29.741 22.630 5.518 1.00 0.58 C +ATOM 1626 CE1 HIS A 107 31.422 21.339 5.958 1.00 0.74 C +ATOM 1627 NE2 HIS A 107 30.402 21.967 6.547 1.00 0.68 N +ATOM 1628 H HIS A 107 30.168 22.943 0.397 1.00 0.28 H +ATOM 1629 HA HIS A 107 30.390 20.808 2.323 1.00 0.33 H +ATOM 1630 HB2 HIS A 107 30.951 23.360 2.535 1.00 0.36 H +ATOM 1631 HB3 HIS A 107 29.240 23.533 2.939 1.00 0.29 H +ATOM 1632 HD1 HIS A 107 32.100 21.208 3.995 1.00 0.87 H +ATOM 1633 HD2 HIS A 107 28.863 23.240 5.634 1.00 0.77 H +ATOM 1634 HE1 HIS A 107 32.140 20.725 6.481 1.00 0.94 H +ATOM 1635 N VAL A 108 27.397 21.963 1.575 1.00 0.24 N +ATOM 1636 CA VAL A 108 25.952 21.617 1.686 1.00 0.23 C +ATOM 1637 C VAL A 108 25.748 20.185 1.197 1.00 0.24 C +ATOM 1638 O VAL A 108 24.950 19.440 1.730 1.00 0.26 O +ATOM 1639 CB VAL A 108 25.120 22.539 0.789 1.00 0.22 C +ATOM 1640 CG1 VAL A 108 23.658 22.062 0.768 1.00 0.25 C +ATOM 1641 CG2 VAL A 108 25.187 23.964 1.326 1.00 0.28 C +ATOM 1642 H VAL A 108 27.678 22.716 1.019 1.00 0.24 H +ATOM 1643 HA VAL A 108 25.625 21.725 2.719 1.00 0.25 H +ATOM 1644 HB VAL A 108 25.516 22.514 -0.217 1.00 0.21 H +ATOM 1645 HG11 VAL A 108 23.389 21.678 1.740 1.00 1.08 H +ATOM 1646 HG12 VAL A 108 23.012 22.889 0.520 1.00 1.06 H +ATOM 1647 HG13 VAL A 108 23.540 21.282 0.030 1.00 0.98 H +ATOM 1648 HG21 VAL A 108 25.884 24.007 2.151 1.00 1.00 H +ATOM 1649 HG22 VAL A 108 25.518 24.624 0.545 1.00 1.05 H +ATOM 1650 HG23 VAL A 108 24.205 24.267 1.660 1.00 1.10 H +ATOM 1651 N MET A 109 26.445 19.808 0.153 1.00 0.23 N +ATOM 1652 CA MET A 109 26.265 18.440 -0.402 1.00 0.25 C +ATOM 1653 C MET A 109 26.932 17.387 0.505 1.00 0.28 C +ATOM 1654 O MET A 109 26.491 16.257 0.567 1.00 0.31 O +ATOM 1655 CB MET A 109 26.869 18.374 -1.814 1.00 0.26 C +ATOM 1656 CG MET A 109 26.242 19.460 -2.696 1.00 0.23 C +ATOM 1657 SD MET A 109 27.373 19.862 -4.051 1.00 0.23 S +ATOM 1658 CE MET A 109 26.764 18.631 -5.229 1.00 0.24 C +ATOM 1659 H MET A 109 27.069 20.436 -0.282 1.00 0.23 H +ATOM 1660 HA MET A 109 25.206 18.236 -0.471 1.00 0.26 H +ATOM 1661 HB2 MET A 109 27.936 18.526 -1.765 1.00 0.28 H +ATOM 1662 HB3 MET A 109 26.665 17.405 -2.245 1.00 0.30 H +ATOM 1663 HG2 MET A 109 25.309 19.100 -3.103 1.00 0.24 H +ATOM 1664 HG3 MET A 109 26.058 20.347 -2.107 1.00 0.22 H +ATOM 1665 HE1 MET A 109 26.837 17.646 -4.788 1.00 0.93 H +ATOM 1666 HE2 MET A 109 25.733 18.848 -5.474 1.00 0.96 H +ATOM 1667 HE3 MET A 109 27.360 18.665 -6.127 1.00 0.95 H +ATOM 1668 N THR A 110 27.997 17.729 1.195 1.00 0.29 N +ATOM 1669 CA THR A 110 28.677 16.733 2.061 1.00 0.33 C +ATOM 1670 C THR A 110 28.014 16.670 3.445 1.00 0.35 C +ATOM 1671 O THR A 110 27.832 15.606 4.003 1.00 0.41 O +ATOM 1672 CB THR A 110 30.147 17.152 2.199 1.00 0.37 C +ATOM 1673 OG1 THR A 110 30.375 18.310 1.412 1.00 0.38 O +ATOM 1674 CG2 THR A 110 31.060 16.029 1.712 1.00 0.43 C +ATOM 1675 H THR A 110 28.363 18.631 1.138 1.00 0.28 H +ATOM 1676 HA THR A 110 28.621 15.761 1.597 1.00 0.37 H +ATOM 1677 HB THR A 110 30.368 17.377 3.226 1.00 0.40 H +ATOM 1678 HG1 THR A 110 31.261 18.250 1.048 1.00 0.63 H +ATOM 1679 HG21 THR A 110 30.719 15.086 2.111 1.00 1.04 H +ATOM 1680 HG22 THR A 110 31.035 15.995 0.633 1.00 1.15 H +ATOM 1681 HG23 THR A 110 32.070 16.216 2.044 1.00 1.08 H +ATOM 1682 N ASN A 111 27.670 17.794 4.014 1.00 0.36 N +ATOM 1683 CA ASN A 111 27.044 17.780 5.368 1.00 0.46 C +ATOM 1684 C ASN A 111 25.708 17.047 5.318 1.00 0.52 C +ATOM 1685 O ASN A 111 25.254 16.487 6.296 1.00 0.70 O +ATOM 1686 CB ASN A 111 26.820 19.217 5.843 1.00 0.53 C +ATOM 1687 CG ASN A 111 26.504 19.217 7.339 1.00 1.01 C +ATOM 1688 OD1 ASN A 111 25.377 18.995 7.734 1.00 1.75 O +ATOM 1689 ND2 ASN A 111 27.459 19.458 8.195 1.00 1.65 N +ATOM 1690 H ASN A 111 27.834 18.647 3.560 1.00 0.34 H +ATOM 1691 HA ASN A 111 27.696 17.274 6.052 1.00 0.48 H +ATOM 1692 HB2 ASN A 111 27.713 19.798 5.662 1.00 1.01 H +ATOM 1693 HB3 ASN A 111 25.992 19.650 5.301 1.00 0.89 H +ATOM 1694 HD21 ASN A 111 28.368 19.637 7.876 1.00 2.06 H +ATOM 1695 HD22 ASN A 111 27.267 19.460 9.156 1.00 2.12 H +ATOM 1696 N LEU A 112 25.072 17.059 4.190 1.00 0.44 N +ATOM 1697 CA LEU A 112 23.752 16.376 4.069 1.00 0.52 C +ATOM 1698 C LEU A 112 23.893 14.889 4.376 1.00 0.70 C +ATOM 1699 O LEU A 112 22.966 14.232 4.805 1.00 0.90 O +ATOM 1700 CB LEU A 112 23.202 16.566 2.652 1.00 0.43 C +ATOM 1701 CG LEU A 112 22.356 17.847 2.601 1.00 0.45 C +ATOM 1702 CD1 LEU A 112 22.042 18.204 1.146 1.00 0.44 C +ATOM 1703 CD2 LEU A 112 21.045 17.644 3.379 1.00 0.61 C +ATOM 1704 H LEU A 112 25.460 17.531 3.425 1.00 0.39 H +ATOM 1705 HA LEU A 112 23.082 16.801 4.775 1.00 0.62 H +ATOM 1706 HB2 LEU A 112 24.023 16.648 1.953 1.00 0.42 H +ATOM 1707 HB3 LEU A 112 22.595 15.718 2.387 1.00 0.51 H +ATOM 1708 HG LEU A 112 22.916 18.655 3.049 1.00 0.57 H +ATOM 1709 HD11 LEU A 112 22.930 18.090 0.546 1.00 1.15 H +ATOM 1710 HD12 LEU A 112 21.268 17.550 0.773 1.00 1.10 H +ATOM 1711 HD13 LEU A 112 21.704 19.228 1.094 1.00 1.10 H +ATOM 1712 HD21 LEU A 112 20.996 16.636 3.763 1.00 1.24 H +ATOM 1713 HD22 LEU A 112 21.008 18.343 4.202 1.00 1.17 H +ATOM 1714 HD23 LEU A 112 20.202 17.819 2.726 1.00 1.23 H +ATOM 1715 N GLY A 113 25.048 14.371 4.159 1.00 0.72 N +ATOM 1716 CA GLY A 113 25.298 12.924 4.426 1.00 0.99 C +ATOM 1717 C GLY A 113 24.977 12.110 3.172 1.00 0.61 C +ATOM 1718 O GLY A 113 24.607 10.955 3.244 1.00 0.73 O +ATOM 1719 H GLY A 113 25.753 14.940 3.817 1.00 0.60 H +ATOM 1720 HA2 GLY A 113 26.336 12.783 4.692 1.00 1.31 H +ATOM 1721 HA3 GLY A 113 24.669 12.591 5.238 1.00 1.34 H +ATOM 1722 N GLU A 114 25.113 12.710 2.023 1.00 0.54 N +ATOM 1723 CA GLU A 114 24.819 11.994 0.759 1.00 0.70 C +ATOM 1724 C GLU A 114 26.017 11.099 0.386 1.00 0.78 C +ATOM 1725 O GLU A 114 27.153 11.447 0.641 1.00 1.23 O +ATOM 1726 CB GLU A 114 24.584 13.045 -0.332 1.00 1.18 C +ATOM 1727 CG GLU A 114 23.345 13.890 0.018 1.00 1.38 C +ATOM 1728 CD GLU A 114 22.348 13.856 -1.144 1.00 1.93 C +ATOM 1729 OE1 GLU A 114 21.984 12.766 -1.554 1.00 2.46 O +ATOM 1730 OE2 GLU A 114 21.967 14.921 -1.603 1.00 2.53 O +ATOM 1731 H GLU A 114 25.406 13.639 1.990 1.00 0.74 H +ATOM 1732 HA GLU A 114 23.928 11.398 0.885 1.00 0.76 H +ATOM 1733 HB2 GLU A 114 25.451 13.687 -0.407 1.00 1.42 H +ATOM 1734 HB3 GLU A 114 24.430 12.557 -1.267 1.00 1.48 H +ATOM 1735 HG2 GLU A 114 22.872 13.493 0.905 1.00 1.70 H +ATOM 1736 HG3 GLU A 114 23.645 14.912 0.200 1.00 1.68 H +ATOM 1737 N LYS A 115 25.786 9.947 -0.207 1.00 0.61 N +ATOM 1738 CA LYS A 115 26.926 9.057 -0.572 1.00 0.84 C +ATOM 1739 C LYS A 115 27.569 9.551 -1.859 1.00 0.76 C +ATOM 1740 O LYS A 115 27.978 8.784 -2.708 1.00 1.02 O +ATOM 1741 CB LYS A 115 26.413 7.642 -0.797 1.00 1.14 C +ATOM 1742 CG LYS A 115 26.137 6.955 0.545 1.00 1.33 C +ATOM 1743 CD LYS A 115 25.135 5.812 0.336 1.00 1.76 C +ATOM 1744 CE LYS A 115 25.324 4.752 1.423 1.00 2.05 C +ATOM 1745 NZ LYS A 115 24.251 3.724 1.306 1.00 2.92 N +ATOM 1746 H LYS A 115 24.871 9.663 -0.408 1.00 0.65 H +ATOM 1747 HA LYS A 115 27.655 9.067 0.216 1.00 0.95 H +ATOM 1748 HB2 LYS A 115 25.504 7.693 -1.374 1.00 1.15 H +ATOM 1749 HB3 LYS A 115 27.153 7.080 -1.342 1.00 1.29 H +ATOM 1750 HG2 LYS A 115 27.061 6.560 0.942 1.00 1.57 H +ATOM 1751 HG3 LYS A 115 25.724 7.670 1.241 1.00 1.43 H +ATOM 1752 HD2 LYS A 115 24.128 6.203 0.387 1.00 2.25 H +ATOM 1753 HD3 LYS A 115 25.296 5.362 -0.633 1.00 2.28 H +ATOM 1754 HE2 LYS A 115 26.288 4.281 1.303 1.00 2.32 H +ATOM 1755 HE3 LYS A 115 25.270 5.219 2.395 1.00 2.34 H +ATOM 1756 HZ1 LYS A 115 24.264 3.315 0.350 1.00 3.50 H +ATOM 1757 HZ2 LYS A 115 24.413 2.971 2.004 1.00 3.27 H +ATOM 1758 HZ3 LYS A 115 23.326 4.168 1.481 1.00 3.21 H +ATOM 1759 N LEU A 116 27.660 10.826 -1.998 1.00 0.51 N +ATOM 1760 CA LEU A 116 28.281 11.406 -3.227 1.00 0.49 C +ATOM 1761 C LEU A 116 29.802 11.409 -3.075 1.00 0.46 C +ATOM 1762 O LEU A 116 30.333 11.785 -2.050 1.00 0.52 O +ATOM 1763 CB LEU A 116 27.798 12.846 -3.444 1.00 0.55 C +ATOM 1764 CG LEU A 116 26.291 12.863 -3.731 1.00 1.68 C +ATOM 1765 CD1 LEU A 116 25.727 14.253 -3.427 1.00 2.24 C +ATOM 1766 CD2 LEU A 116 26.039 12.543 -5.209 1.00 2.46 C +ATOM 1767 H LEU A 116 27.321 11.399 -1.287 1.00 0.47 H +ATOM 1768 HA LEU A 116 28.012 10.803 -4.081 1.00 0.59 H +ATOM 1769 HB2 LEU A 116 28.006 13.431 -2.559 1.00 0.77 H +ATOM 1770 HB3 LEU A 116 28.326 13.275 -4.284 1.00 1.15 H +ATOM 1771 HG LEU A 116 25.795 12.129 -3.112 1.00 2.05 H +ATOM 1772 HD11 LEU A 116 26.014 14.551 -2.431 1.00 2.53 H +ATOM 1773 HD12 LEU A 116 26.121 14.961 -4.141 1.00 2.64 H +ATOM 1774 HD13 LEU A 116 24.650 14.228 -3.500 1.00 2.74 H +ATOM 1775 HD21 LEU A 116 26.596 11.664 -5.492 1.00 3.01 H +ATOM 1776 HD22 LEU A 116 24.985 12.365 -5.363 1.00 2.86 H +ATOM 1777 HD23 LEU A 116 26.355 13.379 -5.815 1.00 2.72 H +ATOM 1778 N THR A 117 30.509 10.996 -4.092 1.00 0.48 N +ATOM 1779 CA THR A 117 31.996 10.981 -4.007 1.00 0.47 C +ATOM 1780 C THR A 117 32.541 12.322 -4.497 1.00 0.40 C +ATOM 1781 O THR A 117 31.970 12.958 -5.360 1.00 0.36 O +ATOM 1782 CB THR A 117 32.550 9.853 -4.882 1.00 0.55 C +ATOM 1783 OG1 THR A 117 32.075 10.010 -6.211 1.00 0.55 O +ATOM 1784 CG2 THR A 117 32.089 8.504 -4.330 1.00 0.64 C +ATOM 1785 H THR A 117 30.061 10.699 -4.912 1.00 0.59 H +ATOM 1786 HA THR A 117 32.298 10.822 -2.982 1.00 0.50 H +ATOM 1787 HB THR A 117 33.628 9.890 -4.876 1.00 0.57 H +ATOM 1788 HG1 THR A 117 31.753 9.157 -6.513 1.00 0.66 H +ATOM 1789 HG21 THR A 117 32.269 8.470 -3.265 1.00 1.20 H +ATOM 1790 HG22 THR A 117 31.034 8.379 -4.521 1.00 1.24 H +ATOM 1791 HG23 THR A 117 32.639 7.710 -4.813 1.00 1.18 H +ATOM 1792 N ASP A 118 33.641 12.759 -3.951 1.00 0.42 N +ATOM 1793 CA ASP A 118 34.221 14.061 -4.383 1.00 0.41 C +ATOM 1794 C ASP A 118 34.365 14.081 -5.908 1.00 0.37 C +ATOM 1795 O ASP A 118 34.330 15.124 -6.530 1.00 0.39 O +ATOM 1796 CB ASP A 118 35.596 14.242 -3.739 1.00 0.50 C +ATOM 1797 CG ASP A 118 35.434 14.387 -2.226 1.00 0.63 C +ATOM 1798 OD1 ASP A 118 34.799 15.341 -1.807 1.00 1.34 O +ATOM 1799 OD2 ASP A 118 35.945 13.541 -1.511 1.00 1.18 O +ATOM 1800 H ASP A 118 34.085 12.232 -3.253 1.00 0.48 H +ATOM 1801 HA ASP A 118 33.569 14.866 -4.072 1.00 0.39 H +ATOM 1802 HB2 ASP A 118 36.211 13.381 -3.956 1.00 0.53 H +ATOM 1803 HB3 ASP A 118 36.066 15.130 -4.136 1.00 0.51 H +ATOM 1804 N GLU A 119 34.532 12.936 -6.514 1.00 0.35 N +ATOM 1805 CA GLU A 119 34.684 12.890 -7.997 1.00 0.34 C +ATOM 1806 C GLU A 119 33.348 13.223 -8.665 1.00 0.31 C +ATOM 1807 O GLU A 119 33.283 14.020 -9.580 1.00 0.35 O +ATOM 1808 CB GLU A 119 35.127 11.486 -8.419 1.00 0.38 C +ATOM 1809 CG GLU A 119 36.540 11.197 -7.882 1.00 0.65 C +ATOM 1810 CD GLU A 119 36.466 10.180 -6.739 1.00 1.35 C +ATOM 1811 OE1 GLU A 119 35.813 9.165 -6.918 1.00 2.00 O +ATOM 1812 OE2 GLU A 119 37.063 10.435 -5.706 1.00 2.07 O +ATOM 1813 H GLU A 119 34.561 12.106 -5.994 1.00 0.37 H +ATOM 1814 HA GLU A 119 35.427 13.610 -8.305 1.00 0.36 H +ATOM 1815 HB2 GLU A 119 34.431 10.759 -8.023 1.00 0.64 H +ATOM 1816 HB3 GLU A 119 35.133 11.424 -9.497 1.00 0.55 H +ATOM 1817 HG2 GLU A 119 37.152 10.796 -8.678 1.00 1.22 H +ATOM 1818 HG3 GLU A 119 36.987 12.111 -7.516 1.00 0.98 H +ATOM 1819 N GLU A 120 32.281 12.617 -8.222 1.00 0.30 N +ATOM 1820 CA GLU A 120 30.956 12.902 -8.839 1.00 0.31 C +ATOM 1821 C GLU A 120 30.683 14.405 -8.786 1.00 0.29 C +ATOM 1822 O GLU A 120 30.182 14.990 -9.725 1.00 0.35 O +ATOM 1823 CB GLU A 120 29.863 12.155 -8.069 1.00 0.34 C +ATOM 1824 CG GLU A 120 29.860 10.683 -8.485 1.00 0.40 C +ATOM 1825 CD GLU A 120 28.876 9.906 -7.609 1.00 0.43 C +ATOM 1826 OE1 GLU A 120 29.092 9.856 -6.409 1.00 0.68 O +ATOM 1827 OE2 GLU A 120 27.923 9.372 -8.153 1.00 0.69 O +ATOM 1828 H GLU A 120 32.352 11.975 -7.485 1.00 0.32 H +ATOM 1829 HA GLU A 120 30.961 12.575 -9.866 1.00 0.35 H +ATOM 1830 HB2 GLU A 120 30.055 12.229 -7.009 1.00 0.32 H +ATOM 1831 HB3 GLU A 120 28.901 12.592 -8.293 1.00 0.36 H +ATOM 1832 HG2 GLU A 120 29.563 10.602 -9.521 1.00 0.47 H +ATOM 1833 HG3 GLU A 120 30.851 10.272 -8.362 1.00 0.41 H +ATOM 1834 N VAL A 121 31.012 15.034 -7.693 1.00 0.27 N +ATOM 1835 CA VAL A 121 30.774 16.499 -7.574 1.00 0.28 C +ATOM 1836 C VAL A 121 31.707 17.246 -8.524 1.00 0.27 C +ATOM 1837 O VAL A 121 31.351 18.255 -9.097 1.00 0.29 O +ATOM 1838 CB VAL A 121 31.041 16.937 -6.133 1.00 0.32 C +ATOM 1839 CG1 VAL A 121 31.086 18.463 -6.060 1.00 0.33 C +ATOM 1840 CG2 VAL A 121 29.920 16.419 -5.229 1.00 0.49 C +ATOM 1841 H VAL A 121 31.416 14.541 -6.950 1.00 0.28 H +ATOM 1842 HA VAL A 121 29.754 16.720 -7.834 1.00 0.32 H +ATOM 1843 HB VAL A 121 31.988 16.533 -5.803 1.00 0.39 H +ATOM 1844 HG11 VAL A 121 30.273 18.875 -6.640 1.00 1.08 H +ATOM 1845 HG12 VAL A 121 30.989 18.776 -5.033 1.00 0.99 H +ATOM 1846 HG13 VAL A 121 32.027 18.813 -6.459 1.00 1.04 H +ATOM 1847 HG21 VAL A 121 29.749 15.372 -5.432 1.00 1.09 H +ATOM 1848 HG22 VAL A 121 30.205 16.544 -4.195 1.00 1.10 H +ATOM 1849 HG23 VAL A 121 29.016 16.976 -5.424 1.00 1.16 H +ATOM 1850 N ASP A 122 32.897 16.756 -8.695 1.00 0.28 N +ATOM 1851 CA ASP A 122 33.857 17.436 -9.610 1.00 0.30 C +ATOM 1852 C ASP A 122 33.252 17.508 -11.014 1.00 0.30 C +ATOM 1853 O ASP A 122 33.446 18.468 -11.734 1.00 0.32 O +ATOM 1854 CB ASP A 122 35.172 16.652 -9.654 1.00 0.34 C +ATOM 1855 CG ASP A 122 35.921 16.838 -8.333 1.00 0.37 C +ATOM 1856 OD1 ASP A 122 35.997 17.965 -7.872 1.00 1.15 O +ATOM 1857 OD2 ASP A 122 36.407 15.851 -7.806 1.00 1.14 O +ATOM 1858 H ASP A 122 33.157 15.942 -8.223 1.00 0.28 H +ATOM 1859 HA ASP A 122 34.046 18.437 -9.250 1.00 0.30 H +ATOM 1860 HB2 ASP A 122 34.962 15.603 -9.805 1.00 0.38 H +ATOM 1861 HB3 ASP A 122 35.782 17.017 -10.466 1.00 0.37 H +ATOM 1862 N GLU A 123 32.509 16.508 -11.406 1.00 0.30 N +ATOM 1863 CA GLU A 123 31.882 16.530 -12.755 1.00 0.33 C +ATOM 1864 C GLU A 123 30.697 17.494 -12.715 1.00 0.31 C +ATOM 1865 O GLU A 123 30.488 18.286 -13.611 1.00 0.35 O +ATOM 1866 CB GLU A 123 31.415 15.105 -13.116 1.00 0.37 C +ATOM 1867 CG GLU A 123 29.928 15.097 -13.487 1.00 1.40 C +ATOM 1868 CD GLU A 123 29.530 13.703 -13.971 1.00 1.99 C +ATOM 1869 OE1 GLU A 123 30.035 12.739 -13.420 1.00 2.62 O +ATOM 1870 OE2 GLU A 123 28.727 13.622 -14.886 1.00 2.54 O +ATOM 1871 H GLU A 123 32.352 15.748 -10.809 1.00 0.30 H +ATOM 1872 HA GLU A 123 32.604 16.874 -13.482 1.00 0.35 H +ATOM 1873 HB2 GLU A 123 31.991 14.740 -13.953 1.00 1.01 H +ATOM 1874 HB3 GLU A 123 31.569 14.455 -12.267 1.00 1.09 H +ATOM 1875 HG2 GLU A 123 29.342 15.356 -12.617 1.00 2.08 H +ATOM 1876 HG3 GLU A 123 29.747 15.813 -14.274 1.00 2.01 H +ATOM 1877 N MET A 124 29.927 17.431 -11.667 1.00 0.29 N +ATOM 1878 CA MET A 124 28.758 18.338 -11.541 1.00 0.28 C +ATOM 1879 C MET A 124 29.255 19.785 -11.566 1.00 0.28 C +ATOM 1880 O MET A 124 28.550 20.692 -11.959 1.00 0.30 O +ATOM 1881 CB MET A 124 28.032 18.038 -10.234 1.00 0.27 C +ATOM 1882 CG MET A 124 27.447 16.623 -10.279 1.00 0.29 C +ATOM 1883 SD MET A 124 26.820 16.186 -8.637 1.00 0.68 S +ATOM 1884 CE MET A 124 26.363 14.475 -9.008 1.00 0.78 C +ATOM 1885 H MET A 124 30.127 16.788 -10.956 1.00 0.30 H +ATOM 1886 HA MET A 124 28.084 18.184 -12.359 1.00 0.31 H +ATOM 1887 HB2 MET A 124 28.728 18.112 -9.412 1.00 0.25 H +ATOM 1888 HB3 MET A 124 27.231 18.746 -10.104 1.00 0.27 H +ATOM 1889 HG2 MET A 124 26.638 16.591 -10.994 1.00 0.58 H +ATOM 1890 HG3 MET A 124 28.213 15.920 -10.572 1.00 0.49 H +ATOM 1891 HE1 MET A 124 26.988 14.100 -9.807 1.00 1.31 H +ATOM 1892 HE2 MET A 124 26.503 13.865 -8.130 1.00 1.36 H +ATOM 1893 HE3 MET A 124 25.325 14.437 -9.308 1.00 1.45 H +ATOM 1894 N ILE A 125 30.476 19.997 -11.157 1.00 0.27 N +ATOM 1895 CA ILE A 125 31.050 21.375 -11.159 1.00 0.28 C +ATOM 1896 C ILE A 125 31.501 21.765 -12.580 1.00 0.32 C +ATOM 1897 O ILE A 125 31.517 22.928 -12.932 1.00 0.36 O +ATOM 1898 CB ILE A 125 32.257 21.404 -10.216 1.00 0.27 C +ATOM 1899 CG1 ILE A 125 31.761 21.353 -8.766 1.00 0.24 C +ATOM 1900 CG2 ILE A 125 33.061 22.689 -10.444 1.00 0.31 C +ATOM 1901 CD1 ILE A 125 32.948 21.218 -7.812 1.00 0.24 C +ATOM 1902 H ILE A 125 31.021 19.241 -10.847 1.00 0.27 H +ATOM 1903 HA ILE A 125 30.308 22.080 -10.809 1.00 0.27 H +ATOM 1904 HB ILE A 125 32.885 20.548 -10.414 1.00 0.29 H +ATOM 1905 HG12 ILE A 125 31.222 22.259 -8.541 1.00 0.25 H +ATOM 1906 HG13 ILE A 125 31.105 20.505 -8.641 1.00 0.23 H +ATOM 1907 HG21 ILE A 125 32.383 23.515 -10.590 1.00 1.03 H +ATOM 1908 HG22 ILE A 125 33.687 22.884 -9.586 1.00 1.02 H +ATOM 1909 HG23 ILE A 125 33.680 22.574 -11.321 1.00 1.05 H +ATOM 1910 HD11 ILE A 125 33.547 20.368 -8.101 1.00 1.05 H +ATOM 1911 HD12 ILE A 125 33.548 22.114 -7.856 1.00 1.06 H +ATOM 1912 HD13 ILE A 125 32.585 21.076 -6.803 1.00 0.99 H +ATOM 1913 N ARG A 126 31.885 20.811 -13.391 1.00 0.33 N +ATOM 1914 CA ARG A 126 32.352 21.139 -14.774 1.00 0.38 C +ATOM 1915 C ARG A 126 31.286 21.946 -15.530 1.00 0.39 C +ATOM 1916 O ARG A 126 31.571 22.994 -16.075 1.00 0.41 O +ATOM 1917 CB ARG A 126 32.648 19.840 -15.546 1.00 0.44 C +ATOM 1918 CG ARG A 126 34.122 19.425 -15.363 1.00 0.81 C +ATOM 1919 CD ARG A 126 34.601 18.643 -16.597 1.00 1.41 C +ATOM 1920 NE ARG A 126 35.486 17.511 -16.179 1.00 1.95 N +ATOM 1921 CZ ARG A 126 36.407 17.674 -15.265 1.00 2.26 C +ATOM 1922 NH1 ARG A 126 36.633 18.853 -14.753 1.00 2.40 N +ATOM 1923 NH2 ARG A 126 37.125 16.653 -14.885 1.00 3.02 N +ATOM 1924 H ARG A 126 31.882 19.882 -13.088 1.00 0.31 H +ATOM 1925 HA ARG A 126 33.252 21.730 -14.708 1.00 0.39 H +ATOM 1926 HB2 ARG A 126 32.008 19.053 -15.179 1.00 0.74 H +ATOM 1927 HB3 ARG A 126 32.451 19.999 -16.597 1.00 0.76 H +ATOM 1928 HG2 ARG A 126 34.733 20.306 -15.239 1.00 1.34 H +ATOM 1929 HG3 ARG A 126 34.212 18.799 -14.488 1.00 1.37 H +ATOM 1930 HD2 ARG A 126 33.752 18.234 -17.119 1.00 1.80 H +ATOM 1931 HD3 ARG A 126 35.137 19.313 -17.261 1.00 1.93 H +ATOM 1932 HE ARG A 126 35.359 16.627 -16.582 1.00 2.52 H +ATOM 1933 HH11 ARG A 126 36.104 19.642 -15.058 1.00 2.20 H +ATOM 1934 HH12 ARG A 126 37.338 18.966 -14.052 1.00 3.07 H +ATOM 1935 HH21 ARG A 126 36.969 15.753 -15.292 1.00 3.38 H +ATOM 1936 HH22 ARG A 126 37.832 16.771 -14.187 1.00 3.47 H +ATOM 1937 N GLU A 127 30.072 21.466 -15.597 1.00 0.41 N +ATOM 1938 CA GLU A 127 29.025 22.220 -16.355 1.00 0.47 C +ATOM 1939 C GLU A 127 28.481 23.385 -15.509 1.00 0.43 C +ATOM 1940 O GLU A 127 27.895 24.314 -16.030 1.00 0.46 O +ATOM 1941 CB GLU A 127 27.878 21.272 -16.734 1.00 0.54 C +ATOM 1942 CG GLU A 127 28.290 20.430 -17.943 1.00 0.61 C +ATOM 1943 CD GLU A 127 27.139 19.502 -18.332 1.00 1.28 C +ATOM 1944 OE1 GLU A 127 26.131 19.522 -17.646 1.00 2.03 O +ATOM 1945 OE2 GLU A 127 27.285 18.786 -19.310 1.00 1.92 O +ATOM 1946 H GLU A 127 29.857 20.602 -15.179 1.00 0.42 H +ATOM 1947 HA GLU A 127 29.464 22.620 -17.258 1.00 0.50 H +ATOM 1948 HB2 GLU A 127 27.654 20.617 -15.904 1.00 0.51 H +ATOM 1949 HB3 GLU A 127 27.000 21.849 -16.984 1.00 0.59 H +ATOM 1950 HG2 GLU A 127 28.525 21.082 -18.772 1.00 1.10 H +ATOM 1951 HG3 GLU A 127 29.158 19.839 -17.692 1.00 1.02 H +ATOM 1952 N ALA A 128 28.706 23.373 -14.221 1.00 0.37 N +ATOM 1953 CA ALA A 128 28.251 24.492 -13.368 1.00 0.34 C +ATOM 1954 C ALA A 128 29.382 25.493 -13.313 1.00 0.32 C +ATOM 1955 O ALA A 128 30.093 25.581 -12.336 1.00 0.30 O +ATOM 1956 CB ALA A 128 27.954 24.015 -11.956 1.00 0.30 C +ATOM 1957 H ALA A 128 29.212 22.660 -13.826 1.00 0.35 H +ATOM 1958 HA ALA A 128 27.366 24.948 -13.794 1.00 0.38 H +ATOM 1959 HB1 ALA A 128 28.746 23.366 -11.622 1.00 1.00 H +ATOM 1960 HB2 ALA A 128 27.889 24.875 -11.305 1.00 1.04 H +ATOM 1961 HB3 ALA A 128 27.018 23.482 -11.946 1.00 1.01 H +ATOM 1962 N ASP A 129 29.569 26.214 -14.366 1.00 0.37 N +ATOM 1963 CA ASP A 129 30.684 27.206 -14.422 1.00 0.40 C +ATOM 1964 C ASP A 129 30.803 27.878 -13.054 1.00 0.36 C +ATOM 1965 O ASP A 129 30.305 28.959 -12.813 1.00 0.37 O +ATOM 1966 CB ASP A 129 30.380 28.250 -15.505 1.00 0.47 C +ATOM 1967 CG ASP A 129 29.435 27.646 -16.547 1.00 1.53 C +ATOM 1968 OD1 ASP A 129 28.291 27.397 -16.206 1.00 2.30 O +ATOM 1969 OD2 ASP A 129 29.871 27.448 -17.670 1.00 2.28 O +ATOM 1970 H ASP A 129 28.996 26.073 -15.134 1.00 0.41 H +ATOM 1971 HA ASP A 129 31.607 26.696 -14.656 1.00 0.42 H +ATOM 1972 HB2 ASP A 129 29.916 29.118 -15.059 1.00 0.95 H +ATOM 1973 HB3 ASP A 129 31.297 28.542 -15.988 1.00 1.11 H +ATOM 1974 N ILE A 130 31.427 27.183 -12.147 1.00 0.35 N +ATOM 1975 CA ILE A 130 31.574 27.674 -10.750 1.00 0.38 C +ATOM 1976 C ILE A 130 32.699 28.696 -10.628 1.00 0.54 C +ATOM 1977 O ILE A 130 32.998 29.211 -9.569 1.00 1.05 O +ATOM 1978 CB ILE A 130 31.878 26.449 -9.892 1.00 0.32 C +ATOM 1979 CG1 ILE A 130 30.568 25.690 -9.547 1.00 0.37 C +ATOM 1980 CG2 ILE A 130 32.634 26.870 -8.641 1.00 0.39 C +ATOM 1981 CD1 ILE A 130 30.520 25.321 -8.058 1.00 0.46 C +ATOM 1982 H ILE A 130 31.769 26.288 -12.380 1.00 0.37 H +ATOM 1983 HA ILE A 130 30.671 28.130 -10.449 1.00 0.46 H +ATOM 1984 HB ILE A 130 32.519 25.802 -10.473 1.00 0.33 H +ATOM 1985 HG12 ILE A 130 29.715 26.301 -9.788 1.00 0.42 H +ATOM 1986 HG13 ILE A 130 30.522 24.783 -10.132 1.00 0.36 H +ATOM 1987 HG21 ILE A 130 32.087 27.651 -8.141 1.00 1.12 H +ATOM 1988 HG22 ILE A 130 32.751 26.023 -7.983 1.00 1.05 H +ATOM 1989 HG23 ILE A 130 33.609 27.237 -8.932 1.00 1.05 H +ATOM 1990 HD11 ILE A 130 31.411 24.772 -7.794 1.00 1.11 H +ATOM 1991 HD12 ILE A 130 30.462 26.222 -7.465 1.00 1.21 H +ATOM 1992 HD13 ILE A 130 29.652 24.710 -7.865 1.00 1.01 H +ATOM 1993 N ASP A 131 33.281 29.000 -11.708 1.00 0.49 N +ATOM 1994 CA ASP A 131 34.371 29.992 -11.754 1.00 0.62 C +ATOM 1995 C ASP A 131 33.878 31.154 -12.589 1.00 1.19 C +ATOM 1996 O ASP A 131 32.696 31.429 -12.648 1.00 1.56 O +ATOM 1997 CB ASP A 131 35.633 29.361 -12.375 1.00 0.74 C +ATOM 1998 CG ASP A 131 36.820 30.309 -12.198 1.00 0.72 C +ATOM 1999 OD1 ASP A 131 36.755 31.150 -11.316 1.00 1.36 O +ATOM 2000 OD2 ASP A 131 37.774 30.179 -12.947 1.00 1.25 O +ATOM 2001 H ASP A 131 32.977 28.594 -12.504 1.00 0.74 H +ATOM 2002 HA ASP A 131 34.593 30.343 -10.759 1.00 0.80 H +ATOM 2003 HB2 ASP A 131 35.845 28.427 -11.873 1.00 0.94 H +ATOM 2004 HB3 ASP A 131 35.480 29.171 -13.430 1.00 1.10 H +ATOM 2005 N GLY A 132 34.753 31.844 -13.222 1.00 1.39 N +ATOM 2006 CA GLY A 132 34.315 33.001 -14.036 1.00 2.08 C +ATOM 2007 C GLY A 132 33.738 34.062 -13.099 1.00 1.99 C +ATOM 2008 O GLY A 132 33.732 35.238 -13.404 1.00 2.42 O +ATOM 2009 H GLY A 132 35.690 31.608 -13.156 1.00 1.14 H +ATOM 2010 HA2 GLY A 132 35.158 33.407 -14.579 1.00 2.38 H +ATOM 2011 HA3 GLY A 132 33.553 32.682 -14.727 1.00 2.46 H +ATOM 2012 N ASP A 133 33.254 33.652 -11.951 1.00 1.48 N +ATOM 2013 CA ASP A 133 32.679 34.633 -10.981 1.00 1.41 C +ATOM 2014 C ASP A 133 33.195 34.313 -9.572 1.00 0.74 C +ATOM 2015 O ASP A 133 34.114 34.939 -9.084 1.00 0.56 O +ATOM 2016 CB ASP A 133 31.144 34.552 -11.021 1.00 1.87 C +ATOM 2017 CG ASP A 133 30.549 35.962 -10.954 1.00 2.35 C +ATOM 2018 OD1 ASP A 133 30.812 36.650 -9.981 1.00 2.71 O +ATOM 2019 OD2 ASP A 133 29.841 36.329 -11.877 1.00 2.97 O +ATOM 2020 H ASP A 133 33.271 32.693 -11.725 1.00 1.19 H +ATOM 2021 HA ASP A 133 32.994 35.628 -11.251 1.00 1.72 H +ATOM 2022 HB2 ASP A 133 30.836 34.078 -11.942 1.00 2.40 H +ATOM 2023 HB3 ASP A 133 30.784 33.973 -10.184 1.00 1.97 H +ATOM 2024 N GLY A 134 32.619 33.341 -8.919 1.00 0.57 N +ATOM 2025 CA GLY A 134 33.087 32.982 -7.546 1.00 0.50 C +ATOM 2026 C GLY A 134 31.920 32.434 -6.723 1.00 0.42 C +ATOM 2027 O GLY A 134 32.100 31.621 -5.838 1.00 0.45 O +ATOM 2028 H GLY A 134 31.883 32.845 -9.332 1.00 0.87 H +ATOM 2029 HA2 GLY A 134 33.853 32.229 -7.620 1.00 0.91 H +ATOM 2030 HA3 GLY A 134 33.488 33.858 -7.058 1.00 0.85 H +ATOM 2031 N GLN A 135 30.725 32.872 -7.010 1.00 0.37 N +ATOM 2032 CA GLN A 135 29.532 32.383 -6.254 1.00 0.31 C +ATOM 2033 C GLN A 135 28.543 31.755 -7.238 1.00 0.35 C +ATOM 2034 O GLN A 135 28.464 32.153 -8.383 1.00 0.49 O +ATOM 2035 CB GLN A 135 28.866 33.562 -5.540 1.00 0.33 C +ATOM 2036 CG GLN A 135 29.935 34.405 -4.834 1.00 0.72 C +ATOM 2037 CD GLN A 135 29.291 35.210 -3.703 1.00 1.00 C +ATOM 2038 OE1 GLN A 135 28.979 34.671 -2.660 1.00 1.64 O +ATOM 2039 NE2 GLN A 135 29.076 36.487 -3.868 1.00 1.35 N +ATOM 2040 H GLN A 135 30.611 33.524 -7.730 1.00 0.43 H +ATOM 2041 HA GLN A 135 29.835 31.644 -5.526 1.00 0.30 H +ATOM 2042 HB2 GLN A 135 28.346 34.172 -6.264 1.00 0.65 H +ATOM 2043 HB3 GLN A 135 28.163 33.189 -4.810 1.00 0.62 H +ATOM 2044 HG2 GLN A 135 30.695 33.755 -4.426 1.00 1.05 H +ATOM 2045 HG3 GLN A 135 30.385 35.083 -5.544 1.00 1.03 H +ATOM 2046 HE21 GLN A 135 29.328 36.921 -4.709 1.00 1.78 H +ATOM 2047 HE22 GLN A 135 28.664 37.011 -3.150 1.00 1.60 H +ATOM 2048 N VAL A 136 27.802 30.762 -6.815 1.00 0.31 N +ATOM 2049 CA VAL A 136 26.844 30.103 -7.742 1.00 0.36 C +ATOM 2050 C VAL A 136 25.548 29.781 -6.993 1.00 0.42 C +ATOM 2051 O VAL A 136 25.558 29.485 -5.815 1.00 0.43 O +ATOM 2052 CB VAL A 136 27.457 28.783 -8.213 1.00 0.34 C +ATOM 2053 CG1 VAL A 136 26.914 28.384 -9.591 1.00 0.43 C +ATOM 2054 CG2 VAL A 136 28.981 28.901 -8.278 1.00 0.38 C +ATOM 2055 H VAL A 136 27.889 30.435 -5.897 1.00 0.32 H +ATOM 2056 HA VAL A 136 26.638 30.741 -8.587 1.00 0.46 H +ATOM 2057 HB VAL A 136 27.194 28.022 -7.499 1.00 0.30 H +ATOM 2058 HG11 VAL A 136 26.844 29.257 -10.223 1.00 1.11 H +ATOM 2059 HG12 VAL A 136 27.585 27.669 -10.046 1.00 1.13 H +ATOM 2060 HG13 VAL A 136 25.939 27.936 -9.481 1.00 1.05 H +ATOM 2061 HG21 VAL A 136 29.370 29.143 -7.299 1.00 1.09 H +ATOM 2062 HG22 VAL A 136 29.392 27.959 -8.601 1.00 1.10 H +ATOM 2063 HG23 VAL A 136 29.255 29.674 -8.980 1.00 1.02 H +ATOM 2064 N ASN A 137 24.440 29.800 -7.673 1.00 0.52 N +ATOM 2065 CA ASN A 137 23.161 29.458 -7.015 1.00 0.63 C +ATOM 2066 C ASN A 137 23.083 27.931 -6.903 1.00 0.55 C +ATOM 2067 O ASN A 137 23.856 27.223 -7.515 1.00 0.90 O +ATOM 2068 CB ASN A 137 21.998 30.020 -7.847 1.00 0.78 C +ATOM 2069 CG ASN A 137 21.115 28.893 -8.393 1.00 1.59 C +ATOM 2070 OD1 ASN A 137 21.607 27.934 -8.956 1.00 2.09 O +ATOM 2071 ND2 ASN A 137 19.821 28.976 -8.259 1.00 2.52 N +ATOM 2072 H ASN A 137 24.453 30.015 -8.618 1.00 0.56 H +ATOM 2073 HA ASN A 137 23.142 29.890 -6.024 1.00 0.68 H +ATOM 2074 HB2 ASN A 137 21.412 30.662 -7.223 1.00 1.25 H +ATOM 2075 HB3 ASN A 137 22.384 30.596 -8.672 1.00 1.09 H +ATOM 2076 HD21 ASN A 137 19.424 29.753 -7.811 1.00 2.78 H +ATOM 2077 HD22 ASN A 137 19.246 28.265 -8.608 1.00 3.23 H +ATOM 2078 N TYR A 138 22.187 27.418 -6.107 1.00 0.63 N +ATOM 2079 CA TYR A 138 22.109 25.929 -5.943 1.00 0.55 C +ATOM 2080 C TYR A 138 20.965 25.309 -6.773 1.00 0.51 C +ATOM 2081 O TYR A 138 21.059 24.168 -7.177 1.00 0.43 O +ATOM 2082 CB TYR A 138 21.910 25.589 -4.456 1.00 0.65 C +ATOM 2083 CG TYR A 138 21.174 26.712 -3.762 1.00 0.42 C +ATOM 2084 CD1 TYR A 138 21.865 27.859 -3.349 1.00 1.21 C +ATOM 2085 CD2 TYR A 138 19.798 26.605 -3.532 1.00 1.27 C +ATOM 2086 CE1 TYR A 138 21.176 28.896 -2.709 1.00 1.29 C +ATOM 2087 CE2 TYR A 138 19.111 27.638 -2.890 1.00 1.24 C +ATOM 2088 CZ TYR A 138 19.798 28.785 -2.478 1.00 0.54 C +ATOM 2089 OH TYR A 138 19.119 29.806 -1.845 1.00 0.79 O +ATOM 2090 H TYR A 138 21.592 28.007 -5.599 1.00 1.00 H +ATOM 2091 HA TYR A 138 23.045 25.492 -6.273 1.00 0.48 H +ATOM 2092 HB2 TYR A 138 21.338 24.677 -4.367 1.00 0.81 H +ATOM 2093 HB3 TYR A 138 22.874 25.453 -3.988 1.00 0.84 H +ATOM 2094 HD1 TYR A 138 22.932 27.941 -3.514 1.00 2.09 H +ATOM 2095 HD2 TYR A 138 19.265 25.725 -3.848 1.00 2.19 H +ATOM 2096 HE1 TYR A 138 21.706 29.782 -2.397 1.00 2.21 H +ATOM 2097 HE2 TYR A 138 18.050 27.545 -2.711 1.00 2.12 H +ATOM 2098 HH TYR A 138 18.643 29.429 -1.101 1.00 1.32 H +ATOM 2099 N GLU A 139 19.886 26.015 -7.020 1.00 0.59 N +ATOM 2100 CA GLU A 139 18.762 25.411 -7.800 1.00 0.57 C +ATOM 2101 C GLU A 139 19.311 24.559 -8.949 1.00 0.48 C +ATOM 2102 O GLU A 139 18.803 23.493 -9.234 1.00 0.49 O +ATOM 2103 CB GLU A 139 17.863 26.526 -8.357 1.00 0.62 C +ATOM 2104 CG GLU A 139 16.400 26.087 -8.299 1.00 1.26 C +ATOM 2105 CD GLU A 139 15.523 27.156 -8.952 1.00 1.93 C +ATOM 2106 OE1 GLU A 139 15.960 28.293 -9.017 1.00 2.58 O +ATOM 2107 OE2 GLU A 139 14.430 26.820 -9.377 1.00 2.49 O +ATOM 2108 H GLU A 139 19.801 26.923 -6.681 1.00 0.69 H +ATOM 2109 HA GLU A 139 18.184 24.778 -7.143 1.00 0.62 H +ATOM 2110 HB2 GLU A 139 17.988 27.420 -7.764 1.00 1.23 H +ATOM 2111 HB3 GLU A 139 18.131 26.735 -9.382 1.00 1.19 H +ATOM 2112 HG2 GLU A 139 16.284 25.150 -8.825 1.00 1.86 H +ATOM 2113 HG3 GLU A 139 16.105 25.961 -7.268 1.00 1.92 H +ATOM 2114 N GLU A 140 20.347 25.003 -9.604 1.00 0.43 N +ATOM 2115 CA GLU A 140 20.911 24.189 -10.717 1.00 0.38 C +ATOM 2116 C GLU A 140 21.638 22.978 -10.124 1.00 0.33 C +ATOM 2117 O GLU A 140 21.496 21.865 -10.592 1.00 0.34 O +ATOM 2118 CB GLU A 140 21.899 25.035 -11.532 1.00 0.38 C +ATOM 2119 CG GLU A 140 21.147 25.827 -12.608 1.00 1.13 C +ATOM 2120 CD GLU A 140 22.140 26.336 -13.655 1.00 1.62 C +ATOM 2121 OE1 GLU A 140 22.621 25.524 -14.430 1.00 2.31 O +ATOM 2122 OE2 GLU A 140 22.401 27.528 -13.668 1.00 2.18 O +ATOM 2123 H GLU A 140 20.755 25.860 -9.361 1.00 0.46 H +ATOM 2124 HA GLU A 140 20.109 23.847 -11.354 1.00 0.40 H +ATOM 2125 HB2 GLU A 140 22.411 25.722 -10.874 1.00 0.87 H +ATOM 2126 HB3 GLU A 140 22.622 24.387 -12.007 1.00 0.83 H +ATOM 2127 HG2 GLU A 140 20.418 25.189 -13.086 1.00 1.79 H +ATOM 2128 HG3 GLU A 140 20.646 26.668 -12.153 1.00 1.80 H +ATOM 2129 N PHE A 141 22.416 23.188 -9.097 1.00 0.29 N +ATOM 2130 CA PHE A 141 23.152 22.048 -8.477 1.00 0.26 C +ATOM 2131 C PHE A 141 22.163 21.121 -7.757 1.00 0.29 C +ATOM 2132 O PHE A 141 22.453 19.966 -7.517 1.00 0.32 O +ATOM 2133 CB PHE A 141 24.194 22.581 -7.474 1.00 0.23 C +ATOM 2134 CG PHE A 141 25.586 22.286 -7.986 1.00 0.20 C +ATOM 2135 CD1 PHE A 141 26.073 20.975 -7.959 1.00 0.51 C +ATOM 2136 CD2 PHE A 141 26.384 23.320 -8.494 1.00 0.52 C +ATOM 2137 CE1 PHE A 141 27.358 20.698 -8.436 1.00 0.52 C +ATOM 2138 CE2 PHE A 141 27.675 23.034 -8.973 1.00 0.52 C +ATOM 2139 CZ PHE A 141 28.155 21.725 -8.941 1.00 0.21 C +ATOM 2140 H PHE A 141 22.517 24.093 -8.738 1.00 0.31 H +ATOM 2141 HA PHE A 141 23.653 21.490 -9.254 1.00 0.26 H +ATOM 2142 HB2 PHE A 141 24.075 23.647 -7.356 1.00 0.25 H +ATOM 2143 HB3 PHE A 141 24.058 22.099 -6.517 1.00 0.23 H +ATOM 2144 HD1 PHE A 141 25.458 20.179 -7.568 1.00 0.86 H +ATOM 2145 HD2 PHE A 141 26.005 24.333 -8.514 1.00 0.88 H +ATOM 2146 HE1 PHE A 141 27.734 19.690 -8.417 1.00 0.87 H +ATOM 2147 HE2 PHE A 141 28.302 23.819 -9.370 1.00 0.86 H +ATOM 2148 HZ PHE A 141 29.143 21.507 -9.305 1.00 0.23 H +ATOM 2149 N VAL A 142 20.999 21.606 -7.411 1.00 0.36 N +ATOM 2150 CA VAL A 142 20.014 20.729 -6.713 1.00 0.41 C +ATOM 2151 C VAL A 142 19.477 19.690 -7.699 1.00 0.47 C +ATOM 2152 O VAL A 142 19.452 18.507 -7.422 1.00 0.54 O +ATOM 2153 CB VAL A 142 18.845 21.569 -6.192 1.00 0.52 C +ATOM 2154 CG1 VAL A 142 17.803 20.648 -5.549 1.00 0.58 C +ATOM 2155 CG2 VAL A 142 19.352 22.576 -5.153 1.00 0.49 C +ATOM 2156 H VAL A 142 20.772 22.539 -7.612 1.00 0.41 H +ATOM 2157 HA VAL A 142 20.498 20.232 -5.883 1.00 0.38 H +ATOM 2158 HB VAL A 142 18.390 22.099 -7.018 1.00 0.61 H +ATOM 2159 HG11 VAL A 142 18.303 19.875 -4.984 1.00 1.22 H +ATOM 2160 HG12 VAL A 142 17.170 21.224 -4.889 1.00 1.00 H +ATOM 2161 HG13 VAL A 142 17.198 20.195 -6.321 1.00 1.22 H +ATOM 2162 HG21 VAL A 142 20.277 22.222 -4.720 1.00 1.18 H +ATOM 2163 HG22 VAL A 142 19.523 23.526 -5.632 1.00 1.10 H +ATOM 2164 HG23 VAL A 142 18.613 22.696 -4.373 1.00 1.11 H +ATOM 2165 N GLN A 143 19.041 20.129 -8.849 1.00 0.49 N +ATOM 2166 CA GLN A 143 18.496 19.178 -9.858 1.00 0.56 C +ATOM 2167 C GLN A 143 19.586 18.191 -10.282 1.00 0.52 C +ATOM 2168 O GLN A 143 19.308 17.082 -10.691 1.00 0.59 O +ATOM 2169 CB GLN A 143 18.015 19.959 -11.084 1.00 0.63 C +ATOM 2170 CG GLN A 143 16.862 20.884 -10.685 1.00 0.74 C +ATOM 2171 CD GLN A 143 16.131 21.361 -11.943 1.00 1.31 C +ATOM 2172 OE1 GLN A 143 16.331 20.826 -13.015 1.00 2.00 O +ATOM 2173 NE2 GLN A 143 15.286 22.352 -11.856 1.00 1.89 N +ATOM 2174 H GLN A 143 19.067 21.089 -9.047 1.00 0.49 H +ATOM 2175 HA GLN A 143 17.666 18.637 -9.431 1.00 0.62 H +ATOM 2176 HB2 GLN A 143 18.831 20.549 -11.477 1.00 0.57 H +ATOM 2177 HB3 GLN A 143 17.674 19.268 -11.840 1.00 0.71 H +ATOM 2178 HG2 GLN A 143 16.173 20.347 -10.049 1.00 1.12 H +ATOM 2179 HG3 GLN A 143 17.253 21.739 -10.153 1.00 0.99 H +ATOM 2180 HE21 GLN A 143 15.125 22.785 -10.992 1.00 2.16 H +ATOM 2181 HE22 GLN A 143 14.814 22.664 -12.656 1.00 2.43 H +ATOM 2182 N MET A 144 20.826 18.589 -10.196 1.00 0.44 N +ATOM 2183 CA MET A 144 21.933 17.675 -10.604 1.00 0.44 C +ATOM 2184 C MET A 144 22.093 16.552 -9.573 1.00 0.44 C +ATOM 2185 O MET A 144 22.376 15.421 -9.916 1.00 0.51 O +ATOM 2186 CB MET A 144 23.240 18.474 -10.704 1.00 0.39 C +ATOM 2187 CG MET A 144 23.362 19.095 -12.099 1.00 0.45 C +ATOM 2188 SD MET A 144 24.913 20.024 -12.210 1.00 0.66 S +ATOM 2189 CE MET A 144 24.385 21.213 -13.469 1.00 1.06 C +ATOM 2190 H MET A 144 21.030 19.492 -9.870 1.00 0.40 H +ATOM 2191 HA MET A 144 21.701 17.243 -11.563 1.00 0.51 H +ATOM 2192 HB2 MET A 144 23.238 19.258 -9.961 1.00 0.33 H +ATOM 2193 HB3 MET A 144 24.080 17.817 -10.532 1.00 0.42 H +ATOM 2194 HG2 MET A 144 23.357 18.312 -12.843 1.00 0.56 H +ATOM 2195 HG3 MET A 144 22.530 19.761 -12.273 1.00 0.50 H +ATOM 2196 HE1 MET A 144 23.513 21.746 -13.117 1.00 1.67 H +ATOM 2197 HE2 MET A 144 25.189 21.911 -13.660 1.00 1.67 H +ATOM 2198 HE3 MET A 144 24.142 20.691 -14.380 1.00 1.59 H +ATOM 2199 N MET A 145 21.924 16.851 -8.317 1.00 0.39 N +ATOM 2200 CA MET A 145 22.080 15.795 -7.274 1.00 0.41 C +ATOM 2201 C MET A 145 20.884 14.837 -7.311 1.00 0.50 C +ATOM 2202 O MET A 145 20.978 13.702 -6.888 1.00 0.56 O +ATOM 2203 CB MET A 145 22.166 16.447 -5.888 1.00 0.36 C +ATOM 2204 CG MET A 145 23.437 17.306 -5.789 1.00 0.31 C +ATOM 2205 SD MET A 145 24.332 16.895 -4.269 1.00 0.32 S +ATOM 2206 CE MET A 145 23.158 17.625 -3.102 1.00 0.43 C +ATOM 2207 H MET A 145 21.704 17.770 -8.059 1.00 0.37 H +ATOM 2208 HA MET A 145 22.986 15.238 -7.462 1.00 0.43 H +ATOM 2209 HB2 MET A 145 21.299 17.071 -5.731 1.00 0.38 H +ATOM 2210 HB3 MET A 145 22.194 15.677 -5.131 1.00 0.40 H +ATOM 2211 HG2 MET A 145 24.073 17.115 -6.641 1.00 0.33 H +ATOM 2212 HG3 MET A 145 23.165 18.351 -5.773 1.00 0.33 H +ATOM 2213 HE1 MET A 145 22.791 18.559 -3.493 1.00 1.04 H +ATOM 2214 HE2 MET A 145 22.330 16.946 -2.956 1.00 1.11 H +ATOM 2215 HE3 MET A 145 23.653 17.802 -2.158 1.00 1.15 H +ATOM 2216 N THR A 146 19.757 15.280 -7.801 1.00 0.53 N +ATOM 2217 CA THR A 146 18.570 14.405 -7.848 1.00 0.64 C +ATOM 2218 C THR A 146 18.736 13.351 -8.936 1.00 0.72 C +ATOM 2219 O THR A 146 18.687 12.164 -8.687 1.00 1.09 O +ATOM 2220 CB THR A 146 17.359 15.289 -8.143 1.00 0.69 C +ATOM 2221 OG1 THR A 146 17.793 16.631 -8.308 1.00 0.68 O +ATOM 2222 CG2 THR A 146 16.379 15.219 -6.978 1.00 0.79 C +ATOM 2223 H THR A 146 19.681 16.195 -8.131 1.00 0.51 H +ATOM 2224 HA THR A 146 18.446 13.922 -6.909 1.00 0.69 H +ATOM 2225 HB THR A 146 16.878 14.959 -9.042 1.00 0.79 H +ATOM 2226 HG1 THR A 146 17.016 17.179 -8.446 1.00 0.98 H +ATOM 2227 HG21 THR A 146 16.062 14.197 -6.836 1.00 1.29 H +ATOM 2228 HG22 THR A 146 16.871 15.572 -6.084 1.00 1.41 H +ATOM 2229 HG23 THR A 146 15.523 15.839 -7.190 1.00 1.24 H +ATOM 2230 N ALA A 147 18.937 13.789 -10.133 1.00 0.90 N +ATOM 2231 CA ALA A 147 19.115 12.852 -11.265 1.00 0.97 C +ATOM 2232 C ALA A 147 19.353 13.657 -12.531 1.00 1.72 C +ATOM 2233 O ALA A 147 18.513 14.409 -12.985 1.00 2.42 O +ATOM 2234 CB ALA A 147 17.875 11.988 -11.452 1.00 1.52 C +ATOM 2235 H ALA A 147 18.980 14.745 -10.286 1.00 1.23 H +ATOM 2236 HA ALA A 147 19.970 12.219 -11.077 1.00 1.05 H +ATOM 2237 HB1 ALA A 147 17.010 12.620 -11.576 1.00 2.10 H +ATOM 2238 HB2 ALA A 147 18.007 11.376 -12.331 1.00 1.88 H +ATOM 2239 HB3 ALA A 147 17.741 11.354 -10.589 1.00 1.99 H +ATOM 2240 N LYS A 148 20.501 13.498 -13.090 1.00 2.06 N +ATOM 2241 CA LYS A 148 20.856 14.235 -14.334 1.00 3.06 C +ATOM 2242 C LYS A 148 19.679 14.187 -15.312 1.00 3.70 C +ATOM 2243 O LYS A 148 19.189 13.099 -15.564 1.00 3.97 O +ATOM 2244 CB LYS A 148 22.081 13.580 -14.978 1.00 3.48 C +ATOM 2245 CG LYS A 148 23.335 13.903 -14.159 1.00 3.61 C +ATOM 2246 CD LYS A 148 23.212 13.298 -12.755 1.00 4.17 C +ATOM 2247 CE LYS A 148 24.592 13.236 -12.099 1.00 4.88 C +ATOM 2248 NZ LYS A 148 25.003 14.609 -11.688 1.00 5.31 N +ATOM 2249 OXT LYS A 148 19.286 15.240 -15.787 1.00 4.31 O +ATOM 2250 H LYS A 148 21.136 12.886 -12.682 1.00 1.96 H +ATOM 2251 HA LYS A 148 21.082 15.263 -14.092 1.00 3.46 H +ATOM 2252 HB2 LYS A 148 21.938 12.510 -15.012 1.00 3.48 H +ATOM 2253 HB3 LYS A 148 22.202 13.957 -15.982 1.00 4.15 H +ATOM 2254 HG2 LYS A 148 24.199 13.491 -14.658 1.00 3.85 H +ATOM 2255 HG3 LYS A 148 23.444 14.974 -14.078 1.00 3.71 H +ATOM 2256 HD2 LYS A 148 22.561 13.916 -12.156 1.00 4.32 H +ATOM 2257 HD3 LYS A 148 22.803 12.301 -12.825 1.00 4.45 H +ATOM 2258 HE2 LYS A 148 24.549 12.598 -11.229 1.00 5.26 H +ATOM 2259 HE3 LYS A 148 25.310 12.840 -12.801 1.00 5.15 H +ATOM 2260 HZ1 LYS A 148 25.008 15.232 -12.519 1.00 5.57 H +ATOM 2261 HZ2 LYS A 148 24.331 14.975 -10.983 1.00 5.54 H +ATOM 2262 HZ3 LYS A 148 25.956 14.578 -11.276 1.00 5.55 H +TER 2263 LYS A 148 +END diff --git a/bench/main_benchmark/structures/SFB_AL_CALM_1CFDA_1CLLA/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_CALM_1CFDA_1CLLA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5bf71bc251b196057be9f92edd46a9845c1e8df2 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_CALM_1CFDA_1CLLA/state_b.pdb @@ -0,0 +1,1135 @@ +ATOM 1 N LEU A 4 -6.873 21.082 25.312 1.00 49.53 N +ATOM 2 CA LEU A 4 -6.696 22.003 26.447 1.00 48.82 C +ATOM 3 C LEU A 4 -6.318 23.391 25.929 1.00 46.50 C +ATOM 4 O LEU A 4 -5.313 23.981 26.352 1.00 45.72 O +ATOM 5 N THR A 5 -7.147 23.871 25.013 1.00 46.77 N +ATOM 6 CA THR A 5 -6.891 25.193 24.428 1.00 46.84 C +ATOM 7 C THR A 5 -6.801 26.228 25.543 1.00 45.36 C +ATOM 8 O THR A 5 -5.829 26.999 25.561 1.00 47.41 O +ATOM 9 CB THR A 5 -7.923 25.626 23.323 1.00 46.33 C +ATOM 10 OG1 THR A 5 -9.238 25.386 23.908 1.00 48.28 O +ATOM 11 CG2 THR A 5 -7.704 24.943 21.974 1.00 44.31 C +ATOM 12 N GLU A 6 -7.781 26.217 26.419 1.00 46.42 N +ATOM 13 CA GLU A 6 -7.858 27.154 27.557 1.00 45.65 C +ATOM 14 C GLU A 6 -6.502 27.343 28.224 1.00 44.22 C +ATOM 15 O GLU A 6 -6.040 28.483 28.423 1.00 42.97 O +ATOM 16 CB GLU A 6 -8.881 26.726 28.592 1.00 50.13 C +ATOM 17 CG GLU A 6 -9.358 27.699 29.657 1.00 55.79 C +ATOM 18 CD GLU A 6 -10.322 27.149 30.668 1.00 58.96 C +ATOM 19 OE1 GLU A 6 -10.775 26.034 30.334 1.00 62.89 O +ATOM 20 OE2 GLU A 6 -10.648 27.701 31.706 1.00 60.58 O +ATOM 21 N GLU A 7 -5.878 26.224 28.555 1.00 41.38 N +ATOM 22 CA GLU A 7 -4.554 26.201 29.194 1.00 39.78 C +ATOM 23 C GLU A 7 -3.488 26.654 28.194 1.00 36.82 C +ATOM 24 O GLU A 7 -2.492 27.284 28.575 1.00 35.19 O +ATOM 25 CB GLU A 7 -4.220 24.818 29.707 1.00 41.74 C +ATOM 26 CG GLU A 7 -2.859 24.477 30.277 1.00 45.41 C +ATOM 27 CD GLU A 7 -2.755 23.096 30.867 1.00 47.19 C +ATOM 28 OE1 GLU A 7 -3.096 22.069 30.304 1.00 45.58 O +ATOM 29 OE2 GLU A 7 -2.284 23.115 32.029 1.00 49.85 O +ATOM 30 N GLN A 8 -3.742 26.335 26.934 1.00 34.23 N +ATOM 31 CA GLN A 8 -2.874 26.663 25.797 1.00 32.23 C +ATOM 32 C GLN A 8 -2.838 28.187 25.588 1.00 33.49 C +ATOM 33 O GLN A 8 -1.732 28.749 25.518 1.00 32.07 O +ATOM 34 CB GLN A 8 -3.273 25.955 24.510 1.00 30.73 C +ATOM 35 CG GLN A 8 -2.731 24.544 24.361 1.00 29.84 C +ATOM 36 CD GLN A 8 -2.980 23.970 22.985 1.00 28.64 C +ATOM 37 OE1 GLN A 8 -4.082 23.858 22.452 1.00 29.29 O +ATOM 38 NE2 GLN A 8 -1.893 23.581 22.335 1.00 26.48 N +ATOM 39 N ILE A 9 -4.017 28.772 25.488 1.00 32.05 N +ATOM 40 CA ILE A 9 -4.118 30.226 25.284 1.00 35.87 C +ATOM 41 C ILE A 9 -3.405 30.916 26.444 1.00 33.10 C +ATOM 42 O ILE A 9 -2.686 31.909 26.240 1.00 32.76 O +ATOM 43 CB ILE A 9 -5.569 30.720 25.011 1.00 38.25 C +ATOM 44 CG1 ILE A 9 -6.249 31.153 26.340 1.00 42.51 C +ATOM 45 CG2 ILE A 9 -6.441 29.697 24.231 1.00 38.25 C +ATOM 46 CD1 ILE A 9 -7.719 31.624 26.165 1.00 46.23 C +ATOM 47 N ALA A 10 -3.568 30.386 27.641 1.00 32.29 N +ATOM 48 CA ALA A 10 -2.933 30.933 28.846 1.00 29.35 C +ATOM 49 C ALA A 10 -1.427 31.094 28.677 1.00 29.52 C +ATOM 50 O ALA A 10 -0.849 32.120 29.060 1.00 29.04 O +ATOM 51 CB ALA A 10 -3.281 30.070 30.058 1.00 32.99 C +ATOM 52 N GLU A 11 -0.787 30.084 28.107 1.00 30.70 N +ATOM 53 CA GLU A 11 0.670 30.102 27.900 1.00 31.69 C +ATOM 54 C GLU A 11 1.098 31.116 26.852 1.00 29.24 C +ATOM 55 O GLU A 11 2.183 31.704 26.957 1.00 32.68 O +ATOM 56 CB GLU A 11 1.191 28.718 27.487 1.00 37.43 C +ATOM 57 CG GLU A 11 0.859 27.630 28.520 1.00 40.07 C +ATOM 58 CD GLU A 11 1.277 26.245 28.139 1.00 42.15 C +ATOM 59 OE1 GLU A 11 2.451 26.028 28.517 1.00 48.12 O +ATOM 60 OE2 GLU A 11 0.584 25.440 27.547 1.00 44.80 O +ATOM 61 N PHE A 12 0.223 31.283 25.879 1.00 28.97 N +ATOM 62 CA PHE A 12 0.462 32.236 24.777 1.00 26.93 C +ATOM 63 C PHE A 12 0.271 33.672 25.299 1.00 24.14 C +ATOM 64 O PHE A 12 1.002 34.532 24.826 1.00 26.06 O +ATOM 65 CB PHE A 12 -0.393 31.969 23.550 1.00 28.76 C +ATOM 66 CG PHE A 12 0.066 30.867 22.641 1.00 30.67 C +ATOM 67 CD1 PHE A 12 1.328 30.920 22.046 1.00 32.84 C +ATOM 68 CD2 PHE A 12 -0.767 29.774 22.377 1.00 28.68 C +ATOM 69 CE1 PHE A 12 1.752 29.891 21.185 1.00 33.43 C +ATOM 70 CE2 PHE A 12 -0.369 28.755 21.524 1.00 32.88 C +ATOM 71 CZ PHE A 12 0.893 28.813 20.931 1.00 29.64 C +ATOM 72 N LYS A 13 -0.659 33.857 26.203 1.00 20.89 N +ATOM 73 CA LYS A 13 -0.987 35.159 26.817 1.00 22.33 C +ATOM 74 C LYS A 13 0.192 35.621 27.656 1.00 20.70 C +ATOM 75 O LYS A 13 0.613 36.788 27.776 1.00 16.13 O +ATOM 76 CB LYS A 13 -2.217 34.930 27.661 1.00 28.79 C +ATOM 77 CG LYS A 13 -3.041 36.094 28.154 1.00 32.48 C +ATOM 78 CD LYS A 13 -4.442 35.589 28.530 1.00 36.44 C +ATOM 79 CE LYS A 13 -5.276 35.366 27.283 1.00 40.40 C +ATOM 80 NZ LYS A 13 -6.424 34.469 27.572 1.00 41.12 N +ATOM 81 N GLU A 14 0.774 34.606 28.303 1.00 21.57 N +ATOM 82 CA GLU A 14 1.948 34.832 29.154 1.00 21.36 C +ATOM 83 C GLU A 14 3.092 35.346 28.288 1.00 22.09 C +ATOM 84 O GLU A 14 3.746 36.313 28.684 1.00 20.70 O +ATOM 85 CB GLU A 14 2.402 33.605 29.926 1.00 27.25 C +ATOM 86 CG GLU A 14 1.881 33.442 31.347 1.00 35.30 C +ATOM 87 CD GLU A 14 2.032 32.070 31.947 1.00 39.45 C +ATOM 88 OE1 GLU A 14 3.185 31.613 31.795 1.00 41.02 O +ATOM 89 OE2 GLU A 14 1.111 31.490 32.497 1.00 42.94 O +ATOM 90 N ALA A 15 3.312 34.709 27.151 1.00 20.13 N +ATOM 91 CA ALA A 15 4.375 35.089 26.210 1.00 20.94 C +ATOM 92 C ALA A 15 4.146 36.506 25.665 1.00 17.60 C +ATOM 93 O ALA A 15 5.108 37.285 25.635 1.00 18.43 O +ATOM 94 CB ALA A 15 4.499 34.020 25.123 1.00 17.73 C +ATOM 95 N PHE A 16 2.934 36.813 25.287 1.00 20.02 N +ATOM 96 CA PHE A 16 2.482 38.106 24.744 1.00 15.27 C +ATOM 97 C PHE A 16 2.771 39.212 25.755 1.00 15.45 C +ATOM 98 O PHE A 16 3.341 40.248 25.376 1.00 16.92 O +ATOM 99 CB PHE A 16 1.002 38.123 24.378 1.00 13.77 C +ATOM 100 CG PHE A 16 0.463 39.353 23.734 1.00 16.36 C +ATOM 101 CD1 PHE A 16 0.534 39.540 22.365 1.00 14.23 C +ATOM 102 CD2 PHE A 16 -0.115 40.359 24.545 1.00 14.21 C +ATOM 103 CE1 PHE A 16 0.050 40.703 21.750 1.00 16.13 C +ATOM 104 CE2 PHE A 16 -0.589 41.541 23.975 1.00 16.04 C +ATOM 105 CZ PHE A 16 -0.506 41.686 22.584 1.00 18.35 C +ATOM 106 N SER A 17 2.398 38.968 27.017 1.00 14.55 N +ATOM 107 CA SER A 17 2.620 40.003 28.044 1.00 18.34 C +ATOM 108 C SER A 17 4.065 40.424 28.164 1.00 15.87 C +ATOM 109 O SER A 17 4.281 41.596 28.542 1.00 20.17 O +ATOM 110 CB SER A 17 2.054 39.565 29.403 1.00 18.71 C +ATOM 111 OG SER A 17 0.694 39.178 29.164 1.00 29.11 O +ATOM 112 N LEU A 18 5.017 39.537 27.863 1.00 16.90 N +ATOM 113 CA LEU A 18 6.429 39.916 27.972 1.00 13.77 C +ATOM 114 C LEU A 18 6.760 41.054 26.994 1.00 11.96 C +ATOM 115 O LEU A 18 7.580 41.947 27.290 1.00 12.75 O +ATOM 116 CB LEU A 18 7.292 38.669 27.689 1.00 26.24 C +ATOM 117 CG LEU A 18 8.757 38.900 27.325 1.00 29.37 C +ATOM 118 CD1 LEU A 18 9.628 39.178 28.545 1.00 23.47 C +ATOM 119 CD2 LEU A 18 9.288 37.653 26.611 1.00 29.36 C +ATOM 120 N PHE A 19 6.091 41.007 25.852 1.00 16.90 N +ATOM 121 CA PHE A 19 6.326 42.020 24.806 1.00 13.01 C +ATOM 122 C PHE A 19 5.501 43.313 24.966 1.00 15.56 C +ATOM 123 O PHE A 19 6.055 44.390 24.697 1.00 10.27 O +ATOM 124 CB PHE A 19 6.018 41.441 23.420 1.00 16.88 C +ATOM 125 CG PHE A 19 6.985 40.410 22.937 1.00 15.97 C +ATOM 126 CD1 PHE A 19 8.160 40.772 22.278 1.00 16.90 C +ATOM 127 CD2 PHE A 19 6.650 39.067 23.164 1.00 14.82 C +ATOM 128 CE1 PHE A 19 9.036 39.782 21.827 1.00 22.16 C +ATOM 129 CE2 PHE A 19 7.537 38.059 22.738 1.00 19.54 C +ATOM 130 CZ PHE A 19 8.705 38.449 22.071 1.00 15.11 C +ATOM 131 N ASP A 20 4.266 43.121 25.376 1.00 14.41 N +ATOM 132 CA ASP A 20 3.304 44.245 25.573 1.00 11.59 C +ATOM 133 C ASP A 20 3.670 44.929 26.900 1.00 14.74 C +ATOM 134 O ASP A 20 2.889 44.743 27.823 1.00 18.73 O +ATOM 135 CB ASP A 20 1.892 43.688 25.483 1.00 9.57 C +ATOM 136 CG ASP A 20 0.838 44.766 25.732 1.00 12.80 C +ATOM 137 OD1 ASP A 20 1.362 45.900 25.680 1.00 15.48 O +ATOM 138 OD2 ASP A 20 -0.327 44.468 26.038 1.00 14.91 O +ATOM 139 N LYS A 21 4.728 45.693 26.942 1.00 17.60 N +ATOM 140 CA LYS A 21 5.293 46.400 28.082 1.00 17.11 C +ATOM 141 C LYS A 21 4.294 47.280 28.828 1.00 18.92 C +ATOM 142 O LYS A 21 4.315 47.311 30.060 1.00 17.29 O +ATOM 143 CB LYS A 21 6.503 47.292 27.783 1.00 13.27 C +ATOM 144 CG LYS A 21 7.799 46.588 27.382 1.00 17.02 C +ATOM 145 CD LYS A 21 7.997 45.345 28.241 1.00 12.36 C +ATOM 146 CE LYS A 21 9.432 44.873 28.246 1.00 14.04 C +ATOM 147 NZ LYS A 21 9.466 43.420 28.594 1.00 12.84 N +ATOM 148 N ASP A 22 3.444 47.960 28.072 1.00 16.55 N +ATOM 149 CA ASP A 22 2.467 48.811 28.776 1.00 15.05 C +ATOM 150 C ASP A 22 1.114 48.178 28.881 1.00 12.96 C +ATOM 151 O ASP A 22 0.189 48.826 29.396 1.00 14.58 O +ATOM 152 CB ASP A 22 2.549 50.211 28.151 1.00 12.16 C +ATOM 153 CG ASP A 22 1.791 50.191 26.830 1.00 19.80 C +ATOM 154 OD1 ASP A 22 1.480 49.126 26.287 1.00 12.67 O +ATOM 155 OD2 ASP A 22 1.487 51.294 26.337 1.00 14.63 O +ATOM 156 N GLY A 23 0.901 46.928 28.470 1.00 11.59 N +ATOM 157 CA GLY A 23 -0.417 46.341 28.589 1.00 12.59 C +ATOM 158 C GLY A 23 -1.603 46.932 27.878 1.00 15.04 C +ATOM 159 O GLY A 23 -2.725 46.782 28.403 1.00 19.45 O +ATOM 160 N ASP A 24 -1.454 47.546 26.710 1.00 15.63 N +ATOM 161 CA ASP A 24 -2.616 48.079 25.966 1.00 13.63 C +ATOM 162 C ASP A 24 -3.219 47.054 25.040 1.00 15.51 C +ATOM 163 O ASP A 24 -4.213 47.333 24.351 1.00 11.21 O +ATOM 164 CB ASP A 24 -2.213 49.407 25.299 1.00 16.34 C +ATOM 165 CG ASP A 24 -1.522 49.054 23.983 1.00 17.21 C +ATOM 166 OD1 ASP A 24 -0.647 48.198 24.144 1.00 6.33 O +ATOM 167 OD2 ASP A 24 -1.796 49.554 22.920 1.00 11.82 O +ATOM 168 N GLY A 25 -2.631 45.860 24.931 1.00 6.69 N +ATOM 169 CA GLY A 25 -3.185 44.822 24.047 1.00 11.58 C +ATOM 170 C GLY A 25 -2.510 44.785 22.651 1.00 2.00 C +ATOM 171 O GLY A 25 -3.040 44.051 21.780 1.00 10.63 O +ATOM 172 N THR A 26 -1.468 45.522 22.517 1.00 5.29 N +ATOM 173 CA THR A 26 -0.742 45.570 21.225 1.00 7.60 C +ATOM 174 C THR A 26 0.732 45.703 21.494 1.00 9.51 C +ATOM 175 O THR A 26 1.230 46.259 22.472 1.00 11.31 O +ATOM 176 CB THR A 26 -1.250 46.702 20.252 1.00 13.05 C +ATOM 177 OG1 THR A 26 -0.824 47.960 20.889 1.00 11.71 O +ATOM 178 CG2 THR A 26 -2.752 46.752 19.973 1.00 15.35 C +ATOM 179 N ILE A 27 1.487 45.176 20.498 1.00 10.83 N +ATOM 180 CA ILE A 27 2.948 45.226 20.545 1.00 10.53 C +ATOM 181 C ILE A 27 3.373 46.196 19.430 1.00 9.58 C +ATOM 182 O ILE A 27 2.968 46.058 18.283 1.00 7.93 O +ATOM 183 CB ILE A 27 3.631 43.828 20.356 1.00 12.73 C +ATOM 184 CG1 ILE A 27 3.061 42.772 21.322 1.00 9.70 C +ATOM 185 CG2 ILE A 27 5.170 44.038 20.518 1.00 20.43 C +ATOM 186 CD1 ILE A 27 3.357 41.298 20.894 1.00 16.56 C +ATOM 187 N THR A 28 4.130 47.187 19.784 1.00 8.69 N +ATOM 188 CA THR A 28 4.614 48.231 18.848 1.00 13.66 C +ATOM 189 C THR A 28 6.066 48.039 18.487 1.00 16.31 C +ATOM 190 O THR A 28 6.709 47.194 19.149 1.00 14.73 O +ATOM 191 CB THR A 28 4.397 49.407 19.926 1.00 8.84 C +ATOM 192 OG1 THR A 28 3.328 50.261 19.465 1.00 23.63 O +ATOM 193 CG2 THR A 28 5.697 49.759 20.563 1.00 4.75 C +ATOM 194 N THR A 29 6.625 48.793 17.551 1.00 17.87 N +ATOM 195 CA THR A 29 8.042 48.661 17.186 1.00 20.41 C +ATOM 196 C THR A 29 8.972 48.898 18.370 1.00 20.52 C +ATOM 197 O THR A 29 10.010 48.216 18.477 1.00 22.52 O +ATOM 198 CB THR A 29 8.475 49.654 16.036 1.00 16.79 C +ATOM 199 OG1 THR A 29 8.236 51.000 16.543 1.00 23.49 O +ATOM 200 CG2 THR A 29 7.730 49.451 14.729 1.00 17.84 C +ATOM 201 N LYS A 30 8.620 49.865 19.204 1.00 19.91 N +ATOM 202 CA LYS A 30 9.395 50.247 20.386 1.00 17.77 C +ATOM 203 C LYS A 30 9.359 49.163 21.449 1.00 16.00 C +ATOM 204 O LYS A 30 10.371 48.918 22.116 1.00 21.31 O +ATOM 205 CB LYS A 30 8.937 51.528 21.076 1.00 18.19 C +ATOM 206 CG LYS A 30 8.271 52.555 20.162 1.00 24.44 C +ATOM 207 CD LYS A 30 6.755 52.484 20.356 1.00 31.34 C +ATOM 208 CE LYS A 30 6.009 52.925 19.112 1.00 33.74 C +ATOM 209 NZ LYS A 30 6.597 52.282 17.907 1.00 34.76 N +ATOM 210 N GLU A 31 8.220 48.516 21.601 1.00 15.72 N +ATOM 211 CA GLU A 31 8.160 47.434 22.629 1.00 15.49 C +ATOM 212 C GLU A 31 8.991 46.269 22.136 1.00 13.09 C +ATOM 213 O GLU A 31 9.814 45.682 22.880 1.00 13.15 O +ATOM 214 CB GLU A 31 6.723 47.039 22.947 1.00 8.61 C +ATOM 215 CG GLU A 31 5.971 48.075 23.781 1.00 15.46 C +ATOM 216 CD GLU A 31 4.517 47.919 23.975 1.00 10.77 C +ATOM 217 OE1 GLU A 31 3.830 47.450 23.067 1.00 9.39 O +ATOM 218 OE2 GLU A 31 3.900 48.247 24.996 1.00 17.00 O +ATOM 219 N LEU A 32 8.798 45.896 20.886 1.00 11.34 N +ATOM 220 CA LEU A 32 9.571 44.776 20.282 1.00 10.72 C +ATOM 221 C LEU A 32 11.036 45.115 20.443 1.00 10.76 C +ATOM 222 O LEU A 32 11.821 44.226 20.767 1.00 13.29 O +ATOM 223 CB LEU A 32 9.120 44.561 18.821 1.00 11.99 C +ATOM 224 CG LEU A 32 9.953 43.533 18.037 1.00 13.38 C +ATOM 225 CD1 LEU A 32 9.856 42.168 18.694 1.00 21.91 C +ATOM 226 CD2 LEU A 32 9.355 43.529 16.621 1.00 15.76 C +ATOM 227 N GLY A 33 11.399 46.370 20.252 1.00 7.66 N +ATOM 228 CA GLY A 33 12.770 46.883 20.366 1.00 16.31 C +ATOM 229 C GLY A 33 13.356 46.657 21.755 1.00 16.66 C +ATOM 230 O GLY A 33 14.485 46.150 21.904 1.00 16.41 O +ATOM 231 N THR A 34 12.624 47.005 22.805 1.00 15.62 N +ATOM 232 CA THR A 34 13.153 46.797 24.169 1.00 19.19 C +ATOM 233 C THR A 34 13.268 45.312 24.446 1.00 15.87 C +ATOM 234 O THR A 34 14.269 44.943 25.120 1.00 20.23 O +ATOM 235 CB THR A 34 12.510 47.726 25.272 1.00 24.30 C +ATOM 236 OG1 THR A 34 12.010 46.918 26.379 1.00 29.42 O +ATOM 237 CG2 THR A 34 11.505 48.704 24.702 1.00 19.41 C +ATOM 238 N VAL A 35 12.361 44.497 23.923 1.00 12.65 N +ATOM 239 CA VAL A 35 12.557 43.050 24.184 1.00 19.28 C +ATOM 240 C VAL A 35 13.859 42.548 23.547 1.00 21.94 C +ATOM 241 O VAL A 35 14.644 41.851 24.241 1.00 21.37 O +ATOM 242 CB VAL A 35 11.356 42.183 23.826 1.00 22.99 C +ATOM 243 CG1 VAL A 35 11.666 40.694 23.973 1.00 23.97 C +ATOM 244 CG2 VAL A 35 10.130 42.550 24.637 1.00 25.21 C +ATOM 245 N MET A 36 14.089 42.856 22.295 1.00 22.58 N +ATOM 246 CA MET A 36 15.291 42.403 21.571 1.00 24.04 C +ATOM 247 C MET A 36 16.574 42.876 22.235 1.00 25.85 C +ATOM 248 O MET A 36 17.509 42.058 22.382 1.00 30.54 O +ATOM 249 CB MET A 36 15.271 42.783 20.095 1.00 24.39 C +ATOM 250 CG MET A 36 14.010 42.360 19.406 1.00 27.42 C +ATOM 251 SD MET A 36 13.933 40.545 19.279 1.00 37.60 S +ATOM 252 CE MET A 36 14.898 40.274 17.785 1.00 37.79 C +ATOM 253 N ARG A 37 16.621 44.134 22.599 1.00 22.30 N +ATOM 254 CA ARG A 37 17.784 44.748 23.248 1.00 24.72 C +ATOM 255 C ARG A 37 18.127 44.071 24.577 1.00 25.68 C +ATOM 256 O ARG A 37 19.310 44.062 24.976 1.00 30.14 O +ATOM 257 CB ARG A 37 17.570 46.244 23.418 1.00 21.50 C +ATOM 258 CG ARG A 37 17.629 47.108 22.183 1.00 22.38 C +ATOM 259 CD ARG A 37 17.810 48.548 22.459 1.00 29.01 C +ATOM 260 NE ARG A 37 16.577 49.120 23.014 1.00 33.11 N +ATOM 261 CZ ARG A 37 15.634 49.620 22.208 1.00 32.22 C +ATOM 262 NH1 ARG A 37 15.800 49.648 20.889 1.00 30.61 N +ATOM 263 NH2 ARG A 37 14.504 50.069 22.751 1.00 33.35 N +ATOM 264 N SER A 38 17.130 43.532 25.237 1.00 24.69 N +ATOM 265 CA SER A 38 17.351 42.851 26.531 1.00 30.18 C +ATOM 266 C SER A 38 17.960 41.476 26.233 1.00 32.47 C +ATOM 267 O SER A 38 18.483 40.814 27.143 1.00 36.66 O +ATOM 268 CB SER A 38 16.109 42.734 27.380 1.00 28.75 C +ATOM 269 OG SER A 38 15.277 41.685 26.924 1.00 30.47 O +ATOM 270 N LEU A 39 17.885 41.105 24.961 1.00 32.02 N +ATOM 271 CA LEU A 39 18.426 39.820 24.495 1.00 30.40 C +ATOM 272 C LEU A 39 19.841 39.972 23.945 1.00 30.27 C +ATOM 273 O LEU A 39 20.410 38.948 23.530 1.00 31.46 O +ATOM 274 CB LEU A 39 17.456 39.202 23.487 1.00 29.34 C +ATOM 275 CG LEU A 39 16.059 38.816 23.920 1.00 32.36 C +ATOM 276 CD1 LEU A 39 15.269 38.185 22.783 1.00 34.54 C +ATOM 277 CD2 LEU A 39 16.137 37.838 25.090 1.00 33.87 C +ATOM 278 N GLY A 40 20.405 41.168 23.943 1.00 26.01 N +ATOM 279 CA GLY A 40 21.774 41.366 23.425 1.00 28.44 C +ATOM 280 C GLY A 40 21.797 41.652 21.924 1.00 25.97 C +ATOM 281 O GLY A 40 22.816 41.594 21.213 1.00 26.68 O +ATOM 282 N GLN A 41 20.638 42.015 21.427 1.00 26.26 N +ATOM 283 CA GLN A 41 20.442 42.345 19.998 1.00 24.93 C +ATOM 284 C GLN A 41 19.920 43.775 19.921 1.00 28.39 C +ATOM 285 O GLN A 41 18.896 44.034 20.578 1.00 28.96 O +ATOM 286 CB GLN A 41 19.403 41.374 19.495 1.00 28.97 C +ATOM 287 CG GLN A 41 19.511 40.733 18.149 1.00 36.53 C +ATOM 288 CD GLN A 41 19.014 39.301 18.263 1.00 38.83 C +ATOM 289 OE1 GLN A 41 18.387 38.761 17.367 1.00 41.03 O +ATOM 290 NE2 GLN A 41 19.300 38.714 19.428 1.00 42.41 N +ATOM 291 N ASN A 42 20.600 44.625 19.179 1.00 27.74 N +ATOM 292 CA ASN A 42 20.142 46.026 19.052 1.00 26.58 C +ATOM 293 C ASN A 42 19.797 46.268 17.576 1.00 26.15 C +ATOM 294 O ASN A 42 20.572 46.811 16.765 1.00 28.12 O +ATOM 295 CB ASN A 42 21.138 46.955 19.722 1.00 20.72 C +ATOM 296 CG ASN A 42 21.331 46.776 21.220 1.00 26.76 C +ATOM 297 OD1 ASN A 42 21.697 45.729 21.775 1.00 22.91 O +ATOM 298 ND2 ASN A 42 21.116 47.842 22.006 1.00 15.27 N +ATOM 299 N PRO A 43 18.587 45.850 17.223 1.00 27.74 N +ATOM 300 CA PRO A 43 18.069 46.009 15.859 1.00 27.47 C +ATOM 301 C PRO A 43 17.816 47.480 15.568 1.00 28.41 C +ATOM 302 O PRO A 43 17.657 48.313 16.486 1.00 27.47 O +ATOM 303 CB PRO A 43 16.778 45.193 15.807 1.00 29.27 C +ATOM 304 CG PRO A 43 16.311 45.200 17.250 1.00 29.04 C +ATOM 305 CD PRO A 43 17.583 45.217 18.091 1.00 29.78 C +ATOM 306 N THR A 44 17.786 47.780 14.276 1.00 27.75 N +ATOM 307 CA THR A 44 17.541 49.173 13.853 1.00 25.78 C +ATOM 308 C THR A 44 16.027 49.337 13.701 1.00 25.42 C +ATOM 309 O THR A 44 15.334 48.317 13.644 1.00 24.39 O +ATOM 310 CB THR A 44 18.321 49.490 12.526 1.00 23.72 C +ATOM 311 OG1 THR A 44 17.668 48.675 11.496 1.00 24.67 O +ATOM 312 CG2 THR A 44 19.820 49.177 12.561 1.00 24.35 C +ATOM 313 N GLU A 45 15.558 50.570 13.614 1.00 27.78 N +ATOM 314 CA GLU A 45 14.113 50.802 13.422 1.00 27.10 C +ATOM 315 C GLU A 45 13.674 50.087 12.148 1.00 25.32 C +ATOM 316 O GLU A 45 12.604 49.451 12.118 1.00 26.16 O +ATOM 317 CB GLU A 45 13.777 52.287 13.415 1.00 31.88 C +ATOM 318 CG GLU A 45 12.330 52.725 13.430 1.00 38.44 C +ATOM 319 CD GLU A 45 11.457 52.597 14.634 1.00 42.72 C +ATOM 320 OE1 GLU A 45 12.059 52.647 15.735 1.00 43.65 O +ATOM 321 OE2 GLU A 45 10.234 52.468 14.557 1.00 43.30 O +ATOM 322 N ALA A 46 14.472 50.099 11.093 1.00 24.71 N +ATOM 323 CA ALA A 46 14.141 49.427 9.828 1.00 20.95 C +ATOM 324 C ALA A 46 13.881 47.943 9.998 1.00 21.64 C +ATOM 325 O ALA A 46 12.939 47.338 9.458 1.00 19.18 O +ATOM 326 CB ALA A 46 15.248 49.641 8.791 1.00 23.64 C +ATOM 327 N GLU A 47 14.771 47.307 10.752 1.00 19.51 N +ATOM 328 CA GLU A 47 14.658 45.869 11.023 1.00 20.53 C +ATOM 329 C GLU A 47 13.432 45.643 11.912 1.00 15.29 C +ATOM 330 O GLU A 47 12.753 44.655 11.678 1.00 14.12 O +ATOM 331 CB GLU A 47 15.904 45.297 11.693 1.00 23.05 C +ATOM 332 CG GLU A 47 17.102 45.115 10.752 1.00 24.45 C +ATOM 333 CD GLU A 47 18.461 45.177 11.384 1.00 28.74 C +ATOM 334 OE1 GLU A 47 18.727 45.739 12.437 1.00 28.22 O +ATOM 335 OE2 GLU A 47 19.328 44.616 10.672 1.00 23.62 O +ATOM 336 N LEU A 48 13.181 46.544 12.845 1.00 13.15 N +ATOM 337 CA LEU A 48 12.024 46.429 13.766 1.00 10.72 C +ATOM 338 C LEU A 48 10.755 46.492 12.915 1.00 11.70 C +ATOM 339 O LEU A 48 9.849 45.688 13.089 1.00 13.32 O +ATOM 340 CB LEU A 48 12.125 47.492 14.846 1.00 19.61 C +ATOM 341 CG LEU A 48 12.428 47.183 16.295 1.00 20.36 C +ATOM 342 CD1 LEU A 48 13.007 45.806 16.543 1.00 23.93 C +ATOM 343 CD2 LEU A 48 13.373 48.247 16.860 1.00 21.03 C +ATOM 344 N GLN A 49 10.717 47.363 11.909 1.00 14.61 N +ATOM 345 CA GLN A 49 9.529 47.460 11.046 1.00 14.47 C +ATOM 346 C GLN A 49 9.283 46.208 10.224 1.00 13.88 C +ATOM 347 O GLN A 49 8.121 45.751 10.085 1.00 11.99 O +ATOM 348 CB GLN A 49 9.607 48.764 10.244 1.00 19.70 C +ATOM 349 CG GLN A 49 8.265 49.056 9.587 1.00 28.77 C +ATOM 350 CD GLN A 49 7.204 49.395 10.612 1.00 30.35 C +ATOM 351 OE1 GLN A 49 6.141 48.787 10.645 1.00 33.82 O +ATOM 352 NE2 GLN A 49 7.530 50.394 11.434 1.00 31.96 N +ATOM 353 N ASP A 50 10.320 45.584 9.662 1.00 18.83 N +ATOM 354 CA ASP A 50 10.179 44.341 8.880 1.00 14.32 C +ATOM 355 C ASP A 50 9.629 43.199 9.746 1.00 11.08 C +ATOM 356 O ASP A 50 8.795 42.418 9.293 1.00 13.15 O +ATOM 357 CB ASP A 50 11.518 43.946 8.248 1.00 16.77 C +ATOM 358 CG ASP A 50 11.792 44.763 6.994 1.00 21.73 C +ATOM 359 OD1 ASP A 50 10.900 45.179 6.250 1.00 24.00 O +ATOM 360 OD2 ASP A 50 13.003 44.962 6.817 1.00 22.73 O +ATOM 361 N MET A 51 10.105 43.139 10.978 1.00 15.31 N +ATOM 362 CA MET A 51 9.613 42.106 11.907 1.00 12.18 C +ATOM 363 C MET A 51 8.117 42.253 12.128 1.00 9.57 C +ATOM 364 O MET A 51 7.376 41.226 12.098 1.00 14.22 O +ATOM 365 CB MET A 51 10.404 42.111 13.206 1.00 16.25 C +ATOM 366 CG MET A 51 11.882 41.960 12.974 1.00 25.99 C +ATOM 367 SD MET A 51 12.662 41.534 14.575 1.00 31.06 S +ATOM 368 CE MET A 51 14.268 42.304 14.343 1.00 33.58 C +ATOM 369 N ILE A 52 7.636 43.455 12.372 1.00 15.00 N +ATOM 370 CA ILE A 52 6.206 43.697 12.614 1.00 9.92 C +ATOM 371 C ILE A 52 5.402 43.465 11.344 1.00 9.44 C +ATOM 372 O ILE A 52 4.348 42.828 11.327 1.00 11.75 O +ATOM 373 CB ILE A 52 6.011 45.145 13.198 1.00 13.02 C +ATOM 374 CG1 ILE A 52 6.451 45.096 14.682 1.00 22.03 C +ATOM 375 CG2 ILE A 52 4.573 45.640 12.915 1.00 14.79 C +ATOM 376 CD1 ILE A 52 5.499 45.757 15.695 1.00 26.23 C +ATOM 377 N ASN A 53 5.949 43.935 10.232 1.00 13.88 N +ATOM 378 CA ASN A 53 5.295 43.775 8.930 1.00 7.92 C +ATOM 379 C ASN A 53 4.944 42.313 8.654 1.00 6.09 C +ATOM 380 O ASN A 53 3.850 41.993 8.201 1.00 12.29 O +ATOM 381 CB ASN A 53 6.131 44.298 7.750 1.00 18.24 C +ATOM 382 CG ASN A 53 6.012 45.816 7.653 1.00 20.79 C +ATOM 383 OD1 ASN A 53 6.704 46.424 6.834 1.00 23.91 O +ATOM 384 ND2 ASN A 53 5.155 46.325 8.517 1.00 16.53 N +ATOM 385 N GLU A 54 5.899 41.451 8.898 1.00 12.39 N +ATOM 386 CA GLU A 54 5.680 40.017 8.679 1.00 17.61 C +ATOM 387 C GLU A 54 4.520 39.397 9.443 1.00 21.44 C +ATOM 388 O GLU A 54 3.896 38.441 8.950 1.00 22.19 O +ATOM 389 CB GLU A 54 6.980 39.306 9.092 1.00 26.47 C +ATOM 390 CG GLU A 54 7.091 37.803 8.955 1.00 37.65 C +ATOM 391 CD GLU A 54 8.324 37.167 9.530 1.00 43.96 C +ATOM 392 OE1 GLU A 54 9.213 38.003 9.794 1.00 48.31 O +ATOM 393 OE2 GLU A 54 8.439 35.960 9.721 1.00 50.11 O +ATOM 394 N VAL A 55 4.220 39.902 10.627 1.00 19.68 N +ATOM 395 CA VAL A 55 3.156 39.398 11.506 1.00 18.90 C +ATOM 396 C VAL A 55 1.880 40.207 11.501 1.00 10.90 C +ATOM 397 O VAL A 55 0.810 39.722 11.892 1.00 14.51 O +ATOM 398 CB VAL A 55 3.707 39.303 12.952 1.00 17.13 C +ATOM 399 CG1 VAL A 55 5.122 38.766 12.957 1.00 14.61 C +ATOM 400 CG2 VAL A 55 3.649 40.601 13.714 1.00 26.02 C +ATOM 401 N ASP A 56 1.965 41.461 11.075 1.00 18.02 N +ATOM 402 CA ASP A 56 0.738 42.329 11.068 1.00 14.93 C +ATOM 403 C ASP A 56 -0.171 42.108 9.888 1.00 17.89 C +ATOM 404 O ASP A 56 -0.065 42.685 8.791 1.00 17.87 O +ATOM 405 CB ASP A 56 1.338 43.730 11.207 1.00 14.83 C +ATOM 406 CG ASP A 56 0.256 44.800 11.247 1.00 14.70 C +ATOM 407 OD1 ASP A 56 -0.834 44.378 11.658 1.00 9.18 O +ATOM 408 OD2 ASP A 56 0.621 45.908 10.829 1.00 14.53 O +ATOM 409 N ALA A 57 -1.135 41.207 10.062 1.00 15.88 N +ATOM 410 CA ALA A 57 -2.114 40.819 9.062 1.00 20.86 C +ATOM 411 C ALA A 57 -3.085 41.892 8.609 1.00 20.68 C +ATOM 412 O ALA A 57 -3.364 41.876 7.392 1.00 26.17 O +ATOM 413 CB ALA A 57 -2.829 39.552 9.532 1.00 19.58 C +ATOM 414 N ASP A 58 -3.542 42.783 9.458 1.00 25.48 N +ATOM 415 CA ASP A 58 -4.498 43.838 9.122 1.00 22.06 C +ATOM 416 C ASP A 58 -3.865 45.184 8.763 1.00 23.59 C +ATOM 417 O ASP A 58 -4.609 46.155 8.577 1.00 23.87 O +ATOM 418 CB ASP A 58 -5.501 44.035 10.269 1.00 23.40 C +ATOM 419 CG ASP A 58 -4.887 44.551 11.543 1.00 20.37 C +ATOM 420 OD1 ASP A 58 -3.669 44.751 11.695 1.00 21.72 O +ATOM 421 OD2 ASP A 58 -5.642 44.742 12.521 1.00 22.23 O +ATOM 422 N GLY A 59 -2.563 45.224 8.731 1.00 21.04 N +ATOM 423 CA GLY A 59 -1.733 46.342 8.405 1.00 17.64 C +ATOM 424 C GLY A 59 -1.950 47.607 9.181 1.00 21.41 C +ATOM 425 O GLY A 59 -1.666 48.677 8.614 1.00 22.08 O +ATOM 426 N ASN A 60 -2.382 47.482 10.428 1.00 17.37 N +ATOM 427 CA ASN A 60 -2.608 48.645 11.292 1.00 16.01 C +ATOM 428 C ASN A 60 -1.325 49.102 11.956 1.00 18.56 C +ATOM 429 O ASN A 60 -1.383 50.118 12.688 1.00 16.11 O +ATOM 430 CB ASN A 60 -3.772 48.467 12.260 1.00 20.56 C +ATOM 431 CG ASN A 60 -3.377 47.606 13.445 1.00 16.93 C +ATOM 432 OD1 ASN A 60 -2.429 46.793 13.325 1.00 14.20 O +ATOM 433 ND2 ASN A 60 -4.074 47.746 14.552 1.00 19.49 N +ATOM 434 N GLY A 61 -0.224 48.406 11.780 1.00 19.98 N +ATOM 435 CA GLY A 61 1.053 48.800 12.337 1.00 19.24 C +ATOM 436 C GLY A 61 1.474 48.240 13.681 1.00 19.03 C +ATOM 437 O GLY A 61 2.604 48.563 14.089 1.00 13.84 O +ATOM 438 N THR A 62 0.599 47.451 14.306 1.00 12.39 N +ATOM 439 CA THR A 62 0.964 46.893 15.618 1.00 7.64 C +ATOM 440 C THR A 62 0.452 45.439 15.558 1.00 2.00 C +ATOM 441 O THR A 62 -0.391 45.099 14.724 1.00 14.16 O +ATOM 442 CB THR A 62 0.256 47.655 16.807 1.00 9.89 C +ATOM 443 OG1 THR A 62 -1.157 47.624 16.526 1.00 10.49 O +ATOM 444 CG2 THR A 62 0.663 49.129 16.976 1.00 11.10 C +ATOM 445 N ILE A 63 0.994 44.734 16.558 1.00 13.11 N +ATOM 446 CA ILE A 63 0.513 43.331 16.621 1.00 11.54 C +ATOM 447 C ILE A 63 -0.367 43.200 17.872 1.00 12.43 C +ATOM 448 O ILE A 63 0.015 43.642 18.955 1.00 12.62 O +ATOM 449 CB ILE A 63 1.652 42.318 16.352 1.00 19.31 C +ATOM 450 CG1 ILE A 63 1.563 41.066 17.280 1.00 9.32 C +ATOM 451 CG2 ILE A 63 3.094 42.803 16.148 1.00 11.65 C +ATOM 452 CD1 ILE A 63 0.556 40.040 16.713 1.00 22.67 C +ATOM 453 N ASP A 64 -1.499 42.592 17.643 1.00 14.08 N +ATOM 454 CA ASP A 64 -2.517 42.309 18.661 1.00 11.41 C +ATOM 455 C ASP A 64 -2.365 40.817 19.055 1.00 14.01 C +ATOM 456 O ASP A 64 -1.551 40.126 18.437 1.00 13.61 O +ATOM 457 CB ASP A 64 -3.929 42.651 18.256 1.00 13.48 C +ATOM 458 CG ASP A 64 -4.516 41.964 17.054 1.00 11.48 C +ATOM 459 OD1 ASP A 64 -4.024 40.917 16.573 1.00 19.19 O +ATOM 460 OD2 ASP A 64 -5.554 42.440 16.561 1.00 19.69 O +ATOM 461 N PHE A 65 -3.115 40.401 20.058 1.00 10.75 N +ATOM 462 CA PHE A 65 -3.021 38.984 20.513 1.00 16.47 C +ATOM 463 C PHE A 65 -3.307 37.947 19.445 1.00 17.70 C +ATOM 464 O PHE A 65 -2.552 36.961 19.256 1.00 16.73 O +ATOM 465 CB PHE A 65 -3.862 38.793 21.787 1.00 20.98 C +ATOM 466 CG PHE A 65 -3.661 37.402 22.350 1.00 13.65 C +ATOM 467 CD1 PHE A 65 -2.395 36.996 22.758 1.00 15.54 C +ATOM 468 CD2 PHE A 65 -4.758 36.545 22.427 1.00 19.27 C +ATOM 469 CE1 PHE A 65 -2.232 35.691 23.248 1.00 19.09 C +ATOM 470 CE2 PHE A 65 -4.623 35.246 22.905 1.00 20.56 C +ATOM 471 CZ PHE A 65 -3.348 34.850 23.318 1.00 20.75 C +ATOM 472 N PRO A 66 -4.426 38.042 18.763 1.00 15.37 N +ATOM 473 CA PRO A 66 -4.815 37.106 17.708 1.00 20.60 C +ATOM 474 C PRO A 66 -3.713 36.956 16.665 1.00 20.83 C +ATOM 475 O PRO A 66 -3.427 35.825 16.235 1.00 17.65 O +ATOM 476 CB PRO A 66 -6.121 37.648 17.173 1.00 21.18 C +ATOM 477 CG PRO A 66 -6.618 38.590 18.221 1.00 17.65 C +ATOM 478 CD PRO A 66 -5.408 39.130 18.945 1.00 16.35 C +ATOM 479 N GLU A 67 -3.071 38.041 16.275 1.00 15.50 N +ATOM 480 CA GLU A 67 -1.981 38.065 15.277 1.00 14.38 C +ATOM 481 C GLU A 67 -0.747 37.351 15.814 1.00 17.23 C +ATOM 482 O GLU A 67 -0.126 36.532 15.110 1.00 19.20 O +ATOM 483 CB GLU A 67 -1.612 39.481 14.839 1.00 17.56 C +ATOM 484 CG GLU A 67 -2.504 40.208 13.828 1.00 13.54 C +ATOM 485 CD GLU A 67 -2.253 41.700 13.706 1.00 14.36 C +ATOM 486 OE1 GLU A 67 -1.470 42.217 14.438 1.00 15.62 O +ATOM 487 OE2 GLU A 67 -2.920 42.249 12.800 1.00 12.60 O +ATOM 488 N PHE A 68 -0.387 37.612 17.061 1.00 11.17 N +ATOM 489 CA PHE A 68 0.744 36.990 17.758 1.00 15.85 C +ATOM 490 C PHE A 68 0.546 35.467 17.855 1.00 17.28 C +ATOM 491 O PHE A 68 1.520 34.720 17.636 1.00 18.26 O +ATOM 492 CB PHE A 68 0.930 37.563 19.154 1.00 18.11 C +ATOM 493 CG PHE A 68 1.923 36.927 20.073 1.00 17.51 C +ATOM 494 CD1 PHE A 68 1.536 35.888 20.929 1.00 17.02 C +ATOM 495 CD2 PHE A 68 3.232 37.381 20.100 1.00 17.36 C +ATOM 496 CE1 PHE A 68 2.478 35.310 21.785 1.00 18.58 C +ATOM 497 CE2 PHE A 68 4.176 36.829 20.966 1.00 20.93 C +ATOM 498 CZ PHE A 68 3.790 35.790 21.817 1.00 16.11 C +ATOM 499 N LEU A 69 -0.650 35.101 18.231 1.00 21.02 N +ATOM 500 CA LEU A 69 -1.099 33.706 18.420 1.00 23.90 C +ATOM 501 C LEU A 69 -0.883 32.918 17.133 1.00 27.92 C +ATOM 502 O LEU A 69 -0.170 31.897 17.173 1.00 28.73 O +ATOM 503 CB LEU A 69 -2.533 33.804 18.915 1.00 27.45 C +ATOM 504 CG LEU A 69 -3.406 32.705 19.438 1.00 31.75 C +ATOM 505 CD1 LEU A 69 -3.700 31.657 18.375 1.00 32.19 C +ATOM 506 CD2 LEU A 69 -2.745 32.062 20.657 1.00 31.64 C +ATOM 507 N THR A 70 -1.458 33.393 16.043 1.00 28.87 N +ATOM 508 CA THR A 70 -1.335 32.723 14.741 1.00 32.11 C +ATOM 509 C THR A 70 0.117 32.585 14.291 1.00 33.13 C +ATOM 510 O THR A 70 0.464 31.527 13.721 1.00 35.80 O +ATOM 511 CB THR A 70 -2.165 33.364 13.562 1.00 31.35 C +ATOM 512 OG1 THR A 70 -1.271 34.330 12.930 1.00 40.44 O +ATOM 513 CG2 THR A 70 -3.504 33.972 13.953 1.00 32.27 C +ATOM 514 N MET A 71 0.929 33.594 14.517 1.00 31.95 N +ATOM 515 CA MET A 71 2.339 33.524 14.102 1.00 35.39 C +ATOM 516 C MET A 71 3.116 32.557 14.998 1.00 35.93 C +ATOM 517 O MET A 71 3.965 31.788 14.517 1.00 34.06 O +ATOM 518 CB MET A 71 2.995 34.897 14.084 1.00 36.46 C +ATOM 519 CG MET A 71 4.505 34.765 14.052 1.00 43.44 C +ATOM 520 SD MET A 71 5.119 35.236 15.705 1.00 51.18 S +ATOM 521 CE MET A 71 6.517 34.125 15.904 1.00 49.00 C +ATOM 522 N MET A 72 2.813 32.644 16.275 1.00 34.29 N +ATOM 523 CA MET A 72 3.445 31.850 17.332 1.00 35.38 C +ATOM 524 C MET A 72 3.260 30.361 17.049 1.00 33.66 C +ATOM 525 O MET A 72 4.182 29.553 17.200 1.00 31.68 O +ATOM 526 CB MET A 72 2.866 32.226 18.694 1.00 40.65 C +ATOM 527 CG MET A 72 3.797 31.783 19.791 1.00 46.00 C +ATOM 528 SD MET A 72 5.374 32.645 19.468 1.00 55.43 S +ATOM 529 CE MET A 72 6.306 32.163 20.936 1.00 52.35 C +ATOM 530 N ALA A 73 2.041 30.069 16.660 1.00 33.28 N +ATOM 531 CA ALA A 73 1.613 28.701 16.334 1.00 34.31 C +ATOM 532 C ALA A 73 2.460 28.184 15.170 1.00 37.90 C +ATOM 533 O ALA A 73 3.214 27.215 15.321 1.00 37.29 O +ATOM 534 CB ALA A 73 0.122 28.661 16.028 1.00 32.80 C +ATOM 535 N ARG A 74 2.315 28.864 14.047 1.00 38.05 N +ATOM 536 CA ARG A 74 3.037 28.517 12.815 1.00 40.00 C +ATOM 537 C ARG A 74 4.523 28.377 13.094 1.00 39.52 C +ATOM 538 O ARG A 74 5.177 27.479 12.526 1.00 40.32 O +ATOM 539 CB ARG A 74 2.755 29.504 11.680 1.00 41.12 C +ATOM 540 CG ARG A 74 1.393 29.271 11.026 1.00 47.61 C +ATOM 541 CD ARG A 74 1.353 29.771 9.624 1.00 55.76 C +ATOM 542 NE ARG A 74 1.195 31.214 9.510 1.00 58.03 N +ATOM 543 CZ ARG A 74 0.025 31.856 9.530 1.00 60.60 C +ATOM 544 NH1 ARG A 74 -1.124 31.195 9.644 1.00 61.96 N +ATOM 545 NH2 ARG A 74 -0.011 33.190 9.445 1.00 60.54 N +ATOM 546 N LYS A 75 5.038 29.234 13.955 1.00 39.34 N +ATOM 547 CA LYS A 75 6.459 29.181 14.306 1.00 41.79 C +ATOM 548 C LYS A 75 6.750 27.884 15.073 1.00 43.90 C +ATOM 549 O LYS A 75 7.796 27.257 14.814 1.00 42.38 O +ATOM 550 CB LYS A 75 6.953 30.345 15.152 1.00 44.08 C +ATOM 551 CG LYS A 75 8.476 30.366 15.329 1.00 43.84 C +ATOM 552 CD LYS A 75 9.134 31.306 14.341 1.00 45.26 C +ATOM 553 CE LYS A 75 8.430 31.404 13.012 1.00 45.01 C +ATOM 554 NZ LYS A 75 8.563 30.151 12.230 1.00 45.66 N +ATOM 555 N MET A 76 5.863 27.528 15.978 1.00 41.59 N +ATOM 556 CA MET A 76 6.025 26.315 16.792 1.00 43.47 C +ATOM 557 C MET A 76 6.191 25.107 15.871 1.00 41.68 C +ATOM 558 O MET A 76 7.226 24.429 15.914 1.00 39.26 O +ATOM 559 CB MET A 76 4.879 26.099 17.758 1.00 47.60 C +ATOM 560 CG MET A 76 4.724 27.205 18.766 1.00 53.04 C +ATOM 561 SD MET A 76 6.184 27.197 19.856 1.00 61.27 S +ATOM 562 CE MET A 76 7.402 27.992 18.793 1.00 56.84 C +ATOM 563 N LYS A 77 5.159 24.876 15.092 1.00 41.72 N +ATOM 564 CA LYS A 77 5.102 23.767 14.134 1.00 44.13 C +ATOM 565 C LYS A 77 6.445 23.576 13.420 1.00 44.14 C +ATOM 566 O LYS A 77 6.942 22.450 13.256 1.00 45.25 O +ATOM 567 CB LYS A 77 4.065 24.007 13.039 1.00 44.78 C +ATOM 568 CG LYS A 77 2.658 24.359 13.492 1.00 49.08 C +ATOM 569 CD LYS A 77 1.753 23.142 13.589 1.00 51.18 C +ATOM 570 CE LYS A 77 0.916 22.930 12.345 1.00 54.27 C +ATOM 571 NZ LYS A 77 -0.376 23.664 12.432 1.00 51.55 N +ATOM 572 N ASP A 78 6.979 24.702 12.979 1.00 43.17 N +ATOM 573 CA ASP A 78 8.249 24.759 12.235 1.00 42.10 C +ATOM 574 C ASP A 78 9.459 24.411 13.091 1.00 41.13 C +ATOM 575 O ASP A 78 10.384 23.757 12.574 1.00 43.13 O +ATOM 576 CB ASP A 78 8.381 26.100 11.513 1.00 43.55 C +ATOM 577 CG ASP A 78 7.501 26.198 10.284 1.00 42.36 C +ATOM 578 OD1 ASP A 78 6.559 25.388 10.202 1.00 45.72 O +ATOM 579 OD2 ASP A 78 7.744 27.050 9.425 1.00 45.57 O +ATOM 580 N THR A 79 9.451 24.827 14.333 1.00 40.84 N +ATOM 581 CA THR A 79 10.551 24.555 15.264 1.00 42.20 C +ATOM 582 C THR A 79 10.605 23.052 15.565 1.00 43.34 C +ATOM 583 O THR A 79 11.682 22.523 15.889 1.00 43.23 O +ATOM 584 CB THR A 79 10.488 25.406 16.588 1.00 41.54 C +ATOM 585 OG1 THR A 79 11.129 26.689 16.292 1.00 40.60 O +ATOM 586 CG2 THR A 79 11.140 24.746 17.813 1.00 42.06 C +ATOM 587 N ASP A 80 9.449 22.426 15.456 1.00 44.63 N +ATOM 588 CA ASP A 80 9.281 20.990 15.705 1.00 46.06 C +ATOM 589 C ASP A 80 9.852 20.206 14.522 1.00 45.97 C +ATOM 590 O ASP A 80 10.441 19.123 14.702 1.00 45.31 O +ATOM 591 CB ASP A 80 7.836 20.648 16.046 1.00 51.03 C +ATOM 592 CG ASP A 80 7.400 21.131 17.415 1.00 53.74 C +ATOM 593 OD1 ASP A 80 8.299 21.330 18.263 1.00 55.69 O +ATOM 594 OD2 ASP A 80 6.204 21.324 17.681 1.00 56.11 O +ATOM 595 N SER A 81 9.672 20.772 13.345 1.00 46.51 N +ATOM 596 CA SER A 81 10.167 20.164 12.093 1.00 44.61 C +ATOM 597 C SER A 81 11.690 20.064 12.138 1.00 44.58 C +ATOM 598 O SER A 81 12.315 18.996 12.081 1.00 45.14 O +ATOM 599 CB SER A 81 9.682 20.961 10.904 1.00 44.23 C +ATOM 600 OG SER A 81 8.306 20.685 10.685 1.00 48.47 O +ATOM 601 N GLU A 82 12.293 21.219 12.268 1.00 42.93 N +ATOM 602 CA GLU A 82 13.731 21.407 12.350 1.00 42.96 C +ATOM 603 C GLU A 82 14.450 20.484 13.323 1.00 43.40 C +ATOM 604 O GLU A 82 15.501 19.921 12.987 1.00 40.45 O +ATOM 605 CB GLU A 82 14.044 22.841 12.820 1.00 45.45 C +ATOM 606 CG GLU A 82 15.500 23.272 12.696 1.00 48.19 C +ATOM 607 CD GLU A 82 16.077 23.101 11.314 1.00 51.96 C +ATOM 608 OE1 GLU A 82 15.188 22.973 10.441 1.00 53.84 O +ATOM 609 OE2 GLU A 82 17.277 23.077 11.083 1.00 50.68 O +ATOM 610 N GLU A 83 13.923 20.361 14.530 1.00 43.29 N +ATOM 611 CA GLU A 83 14.526 19.525 15.575 1.00 43.44 C +ATOM 612 C GLU A 83 14.374 18.042 15.279 1.00 41.00 C +ATOM 613 O GLU A 83 15.187 17.245 15.787 1.00 38.42 O +ATOM 614 CB GLU A 83 14.068 19.888 16.984 1.00 49.03 C +ATOM 615 CG GLU A 83 14.818 21.059 17.624 1.00 56.26 C +ATOM 616 CD GLU A 83 14.374 21.638 18.930 1.00 58.86 C +ATOM 617 OE1 GLU A 83 13.217 21.836 19.266 1.00 60.26 O +ATOM 618 OE2 GLU A 83 15.334 21.923 19.692 1.00 61.29 O +ATOM 619 N GLU A 84 13.392 17.685 14.468 1.00 39.10 N +ATOM 620 CA GLU A 84 13.190 16.277 14.094 1.00 41.57 C +ATOM 621 C GLU A 84 14.283 15.889 13.091 1.00 41.27 C +ATOM 622 O GLU A 84 14.923 14.825 13.233 1.00 42.46 O +ATOM 623 CB GLU A 84 11.840 15.978 13.475 1.00 47.51 C +ATOM 624 CG GLU A 84 10.590 16.031 14.346 1.00 52.07 C +ATOM 625 CD GLU A 84 9.307 15.645 13.661 1.00 54.53 C +ATOM 626 OE1 GLU A 84 9.369 14.471 13.233 1.00 57.32 O +ATOM 627 OE2 GLU A 84 8.327 16.361 13.527 1.00 56.57 O +ATOM 628 N ILE A 85 14.491 16.744 12.106 1.00 38.06 N +ATOM 629 CA ILE A 85 15.497 16.557 11.055 1.00 32.72 C +ATOM 630 C ILE A 85 16.899 16.637 11.663 1.00 29.37 C +ATOM 631 O ILE A 85 17.793 15.879 11.262 1.00 31.84 O +ATOM 632 CB ILE A 85 15.314 17.542 9.858 1.00 32.26 C +ATOM 633 CG1 ILE A 85 13.910 17.425 9.234 1.00 32.00 C +ATOM 634 CG2 ILE A 85 16.408 17.315 8.771 1.00 35.02 C +ATOM 635 CD1 ILE A 85 13.697 18.369 8.009 1.00 36.33 C +ATOM 636 N ARG A 86 17.105 17.527 12.606 1.00 28.13 N +ATOM 637 CA ARG A 86 18.384 17.699 13.290 1.00 30.21 C +ATOM 638 C ARG A 86 18.680 16.426 14.114 1.00 30.09 C +ATOM 639 O ARG A 86 19.840 16.031 14.274 1.00 26.39 O +ATOM 640 CB ARG A 86 18.434 18.906 14.221 1.00 36.19 C +ATOM 641 CG ARG A 86 18.927 20.195 13.579 1.00 39.33 C +ATOM 642 CD ARG A 86 19.075 21.296 14.572 1.00 44.30 C +ATOM 643 NE ARG A 86 19.944 22.365 14.102 1.00 46.88 N +ATOM 644 CZ ARG A 86 19.585 23.389 13.320 1.00 48.12 C +ATOM 645 NH1 ARG A 86 18.343 23.540 12.880 1.00 45.08 N +ATOM 646 NH2 ARG A 86 20.503 24.290 12.964 1.00 48.53 N +ATOM 647 N GLU A 87 17.623 15.830 14.649 1.00 29.65 N +ATOM 648 CA GLU A 87 17.769 14.618 15.451 1.00 28.95 C +ATOM 649 C GLU A 87 18.315 13.488 14.565 1.00 26.09 C +ATOM 650 O GLU A 87 19.297 12.840 14.901 1.00 24.72 O +ATOM 651 CB GLU A 87 16.463 14.048 15.996 1.00 29.47 C +ATOM 652 CG GLU A 87 15.920 14.676 17.273 1.00 39.81 C +ATOM 653 CD GLU A 87 14.802 13.948 17.960 1.00 41.83 C +ATOM 654 OE1 GLU A 87 14.324 12.991 17.317 1.00 43.69 O +ATOM 655 OE2 GLU A 87 14.425 14.297 19.067 1.00 47.72 O +ATOM 656 N ALA A 88 17.598 13.309 13.472 1.00 27.38 N +ATOM 657 CA ALA A 88 17.940 12.266 12.492 1.00 24.53 C +ATOM 658 C ALA A 88 19.318 12.516 11.912 1.00 25.16 C +ATOM 659 O ALA A 88 19.913 11.526 11.456 1.00 20.92 O +ATOM 660 CB ALA A 88 16.859 12.106 11.439 1.00 20.76 C +ATOM 661 N PHE A 89 19.794 13.749 11.912 1.00 21.15 N +ATOM 662 CA PHE A 89 21.128 14.041 11.349 1.00 21.69 C +ATOM 663 C PHE A 89 22.191 13.489 12.297 1.00 24.27 C +ATOM 664 O PHE A 89 23.225 12.941 11.889 1.00 23.21 O +ATOM 665 CB PHE A 89 21.349 15.533 11.063 1.00 21.68 C +ATOM 666 CG PHE A 89 22.709 15.856 10.513 1.00 23.58 C +ATOM 667 CD1 PHE A 89 22.911 15.781 9.129 1.00 24.43 C +ATOM 668 CD2 PHE A 89 23.759 16.218 11.337 1.00 23.55 C +ATOM 669 CE1 PHE A 89 24.151 16.046 8.569 1.00 26.05 C +ATOM 670 CE2 PHE A 89 25.024 16.487 10.794 1.00 29.52 C +ATOM 671 CZ PHE A 89 25.215 16.402 9.403 1.00 26.27 C +ATOM 672 N ARG A 90 21.908 13.650 13.592 1.00 22.01 N +ATOM 673 CA ARG A 90 22.797 13.183 14.654 1.00 19.74 C +ATOM 674 C ARG A 90 22.953 11.657 14.629 1.00 15.48 C +ATOM 675 O ARG A 90 24.067 11.230 14.936 1.00 20.49 O +ATOM 676 CB ARG A 90 22.284 13.650 16.013 1.00 27.21 C +ATOM 677 CG ARG A 90 23.343 14.214 16.952 1.00 35.75 C +ATOM 678 CD ARG A 90 22.694 14.981 18.062 1.00 39.34 C +ATOM 679 NE ARG A 90 22.299 16.316 17.708 1.00 39.30 N +ATOM 680 CZ ARG A 90 21.139 16.924 17.937 1.00 38.98 C +ATOM 681 NH1 ARG A 90 20.078 16.358 18.500 1.00 34.23 N +ATOM 682 NH2 ARG A 90 21.088 18.220 17.606 1.00 36.60 N +ATOM 683 N VAL A 91 21.888 10.986 14.293 1.00 20.93 N +ATOM 684 CA VAL A 91 21.923 9.511 14.231 1.00 23.12 C +ATOM 685 C VAL A 91 22.783 9.031 13.059 1.00 25.01 C +ATOM 686 O VAL A 91 23.493 8.007 13.248 1.00 19.16 O +ATOM 687 CB VAL A 91 20.540 8.876 14.356 1.00 30.73 C +ATOM 688 CG1 VAL A 91 19.483 9.494 13.467 1.00 36.19 C +ATOM 689 CG2 VAL A 91 20.592 7.356 14.154 1.00 30.41 C +ATOM 690 N PHE A 92 22.715 9.754 11.951 1.00 20.82 N +ATOM 691 CA PHE A 92 23.519 9.409 10.767 1.00 20.32 C +ATOM 692 C PHE A 92 24.985 9.744 10.991 1.00 17.27 C +ATOM 693 O PHE A 92 25.888 8.980 10.593 1.00 21.58 O +ATOM 694 CB PHE A 92 23.053 10.089 9.480 1.00 20.89 C +ATOM 695 CG PHE A 92 21.903 9.475 8.753 1.00 23.31 C +ATOM 696 CD1 PHE A 92 20.597 9.757 9.137 1.00 26.02 C +ATOM 697 CD2 PHE A 92 22.129 8.603 7.683 1.00 29.61 C +ATOM 698 CE1 PHE A 92 19.514 9.176 8.477 1.00 25.75 C +ATOM 699 CE2 PHE A 92 21.071 8.029 6.996 1.00 30.44 C +ATOM 700 CZ PHE A 92 19.766 8.321 7.394 1.00 29.21 C +ATOM 701 N ASP A 93 25.219 10.909 11.563 1.00 16.35 N +ATOM 702 CA ASP A 93 26.597 11.381 11.810 1.00 17.94 C +ATOM 703 C ASP A 93 27.157 10.683 13.044 1.00 24.33 C +ATOM 704 O ASP A 93 27.335 11.275 14.124 1.00 28.63 O +ATOM 705 CB ASP A 93 26.607 12.911 11.857 1.00 22.19 C +ATOM 706 CG ASP A 93 27.981 13.442 12.195 1.00 22.47 C +ATOM 707 OD1 ASP A 93 28.910 12.650 11.917 1.00 28.58 O +ATOM 708 OD2 ASP A 93 28.169 14.562 12.713 1.00 23.68 O +ATOM 709 N LYS A 94 27.449 9.408 12.857 1.00 29.19 N +ATOM 710 CA LYS A 94 27.969 8.523 13.903 1.00 30.21 C +ATOM 711 C LYS A 94 29.149 9.088 14.654 1.00 32.04 C +ATOM 712 O LYS A 94 29.280 8.745 15.859 1.00 34.49 O +ATOM 713 CB LYS A 94 28.211 7.127 13.338 1.00 30.56 C +ATOM 714 CG LYS A 94 28.552 6.027 14.323 1.00 37.50 C +ATOM 715 CD LYS A 94 27.740 4.760 14.094 1.00 41.28 C +ATOM 716 CE LYS A 94 28.384 3.546 14.749 1.00 42.61 C +ATOM 717 NZ LYS A 94 28.653 3.789 16.190 1.00 44.18 N +ATOM 718 N ASP A 95 30.002 9.917 14.069 1.00 31.76 N +ATOM 719 CA ASP A 95 31.145 10.443 14.844 1.00 34.26 C +ATOM 720 C ASP A 95 31.018 11.935 15.155 1.00 35.78 C +ATOM 721 O ASP A 95 32.057 12.530 15.501 1.00 37.81 O +ATOM 722 CB ASP A 95 32.481 10.168 14.179 1.00 32.88 C +ATOM 723 CG ASP A 95 32.746 10.923 12.895 1.00 29.93 C +ATOM 724 OD1 ASP A 95 31.951 11.793 12.509 1.00 30.52 O +ATOM 725 OD2 ASP A 95 33.764 10.619 12.255 1.00 29.45 O +ATOM 726 N GLY A 96 29.829 12.459 15.008 1.00 36.02 N +ATOM 727 CA GLY A 96 29.543 13.869 15.254 1.00 37.43 C +ATOM 728 C GLY A 96 30.671 14.806 14.841 1.00 38.02 C +ATOM 729 O GLY A 96 31.108 15.640 15.650 1.00 40.57 O +ATOM 730 N ASN A 97 31.125 14.678 13.612 1.00 37.14 N +ATOM 731 CA ASN A 97 32.201 15.542 13.076 1.00 33.04 C +ATOM 732 C ASN A 97 31.504 16.652 12.280 1.00 31.56 C +ATOM 733 O ASN A 97 32.141 17.637 11.872 1.00 32.41 O +ATOM 734 CB ASN A 97 33.301 14.765 12.382 1.00 35.73 C +ATOM 735 CG ASN A 97 32.981 14.234 10.998 1.00 31.86 C +ATOM 736 OD1 ASN A 97 31.841 13.851 10.695 1.00 33.10 O +ATOM 737 ND2 ASN A 97 34.006 14.212 10.147 1.00 36.61 N +ATOM 738 N GLY A 98 30.207 16.503 12.098 1.00 27.52 N +ATOM 739 CA GLY A 98 29.345 17.442 11.389 1.00 26.51 C +ATOM 740 C GLY A 98 29.068 17.043 9.945 1.00 24.98 C +ATOM 741 O GLY A 98 28.473 17.800 9.159 1.00 26.16 O +ATOM 742 N TYR A 99 29.481 15.839 9.575 1.00 25.86 N +ATOM 743 CA TYR A 99 29.231 15.410 8.193 1.00 22.31 C +ATOM 744 C TYR A 99 29.024 13.899 8.111 1.00 20.01 C +ATOM 745 O TYR A 99 29.733 13.165 8.786 1.00 21.77 O +ATOM 746 CB TYR A 99 30.397 15.735 7.272 1.00 31.25 C +ATOM 747 CG TYR A 99 31.081 17.063 7.292 1.00 34.85 C +ATOM 748 CD1 TYR A 99 32.158 17.321 8.149 1.00 35.91 C +ATOM 749 CD2 TYR A 99 30.686 18.072 6.406 1.00 35.64 C +ATOM 750 CE1 TYR A 99 32.811 18.554 8.139 1.00 36.59 C +ATOM 751 CE2 TYR A 99 31.332 19.306 6.381 1.00 36.86 C +ATOM 752 CZ TYR A 99 32.392 19.531 7.248 1.00 35.05 C +ATOM 753 OH TYR A 99 33.005 20.751 7.193 1.00 38.23 O +ATOM 754 N ILE A 100 28.104 13.572 7.240 1.00 19.00 N +ATOM 755 CA ILE A 100 27.815 12.157 6.981 1.00 17.02 C +ATOM 756 C ILE A 100 28.666 11.617 5.831 1.00 17.92 C +ATOM 757 O ILE A 100 28.561 12.059 4.672 1.00 23.03 O +ATOM 758 CB ILE A 100 26.313 12.020 6.680 1.00 11.61 C +ATOM 759 CG1 ILE A 100 25.399 12.544 7.822 1.00 11.00 C +ATOM 760 CG2 ILE A 100 25.891 10.572 6.349 1.00 12.51 C +ATOM 761 CD1 ILE A 100 23.937 12.601 7.258 1.00 13.19 C +ATOM 762 N SER A 101 29.499 10.655 6.145 1.00 20.33 N +ATOM 763 CA SER A 101 30.367 9.981 5.172 1.00 19.64 C +ATOM 764 C SER A 101 29.583 8.817 4.570 1.00 22.87 C +ATOM 765 O SER A 101 28.454 8.425 4.933 1.00 18.75 O +ATOM 766 CB SER A 101 31.656 9.511 5.824 1.00 20.95 C +ATOM 767 OG SER A 101 31.360 8.533 6.827 1.00 14.46 O +ATOM 768 N ALA A 102 30.237 8.242 3.562 1.00 17.36 N +ATOM 769 CA ALA A 102 29.718 7.093 2.817 1.00 18.70 C +ATOM 770 C ALA A 102 29.575 5.902 3.781 1.00 14.55 C +ATOM 771 O ALA A 102 28.533 5.264 3.788 1.00 21.52 O +ATOM 772 CB ALA A 102 30.695 6.745 1.690 1.00 18.13 C +ATOM 773 N ALA A 103 30.647 5.685 4.527 1.00 16.08 N +ATOM 774 CA ALA A 103 30.728 4.600 5.518 1.00 14.58 C +ATOM 775 C ALA A 103 29.633 4.717 6.571 1.00 16.97 C +ATOM 776 O ALA A 103 28.985 3.727 6.974 1.00 15.34 O +ATOM 777 CB ALA A 103 32.114 4.598 6.147 1.00 13.81 C +ATOM 778 N GLU A 104 29.373 5.939 6.996 1.00 11.60 N +ATOM 779 CA GLU A 104 28.321 6.203 8.014 1.00 13.51 C +ATOM 780 C GLU A 104 26.956 5.928 7.429 1.00 18.49 C +ATOM 781 O GLU A 104 26.146 5.190 8.019 1.00 17.83 O +ATOM 782 CB GLU A 104 28.448 7.624 8.527 1.00 15.44 C +ATOM 783 CG GLU A 104 29.394 7.862 9.704 1.00 22.41 C +ATOM 784 CD GLU A 104 29.639 9.306 10.008 1.00 23.25 C +ATOM 785 OE1 GLU A 104 29.205 10.211 9.326 1.00 26.70 O +ATOM 786 OE2 GLU A 104 30.346 9.430 11.028 1.00 20.68 O +ATOM 787 N LEU A 105 26.686 6.473 6.247 1.00 15.75 N +ATOM 788 CA LEU A 105 25.426 6.264 5.550 1.00 17.47 C +ATOM 789 C LEU A 105 25.229 4.780 5.296 1.00 12.94 C +ATOM 790 O LEU A 105 24.109 4.246 5.523 1.00 12.78 O +ATOM 791 CB LEU A 105 25.396 7.210 4.306 1.00 11.48 C +ATOM 792 CG LEU A 105 24.202 6.912 3.395 1.00 13.27 C +ATOM 793 CD1 LEU A 105 22.904 7.265 4.102 1.00 20.40 C +ATOM 794 CD2 LEU A 105 24.402 7.751 2.135 1.00 20.78 C +ATOM 795 N ARG A 106 26.258 4.039 4.881 1.00 14.55 N +ATOM 796 CA ARG A 106 26.136 2.598 4.602 1.00 13.48 C +ATOM 797 C ARG A 106 25.799 1.745 5.826 1.00 12.65 C +ATOM 798 O ARG A 106 25.024 0.770 5.739 1.00 17.09 O +ATOM 799 CB ARG A 106 27.407 2.074 3.903 1.00 10.46 C +ATOM 800 CG ARG A 106 27.201 0.668 3.323 1.00 15.55 C +ATOM 801 CD ARG A 106 28.271 0.377 2.300 1.00 12.53 C +ATOM 802 NE ARG A 106 29.532 0.117 2.867 1.00 21.07 N +ATOM 803 CZ ARG A 106 30.717 0.423 3.288 1.00 31.60 C +ATOM 804 NH1 ARG A 106 31.279 1.635 3.203 1.00 36.63 N +ATOM 805 NH2 ARG A 106 31.420 -0.527 3.930 1.00 35.05 N +ATOM 806 N HIS A 107 26.370 2.105 6.949 1.00 17.49 N +ATOM 807 CA HIS A 107 26.112 1.398 8.231 1.00 18.44 C +ATOM 808 C HIS A 107 24.680 1.661 8.659 1.00 20.32 C +ATOM 809 O HIS A 107 23.923 0.708 8.898 1.00 17.09 O +ATOM 810 CB HIS A 107 27.122 1.781 9.326 1.00 24.42 C +ATOM 811 CG HIS A 107 26.949 0.984 10.590 1.00 30.66 C +ATOM 812 ND1 HIS A 107 27.278 -0.348 10.724 1.00 33.01 N +ATOM 813 CD2 HIS A 107 26.458 1.382 11.787 1.00 32.96 C +ATOM 814 CE1 HIS A 107 26.994 -0.725 11.961 1.00 36.56 C +ATOM 815 NE2 HIS A 107 26.511 0.301 12.626 1.00 35.22 N +ATOM 816 N VAL A 108 24.174 2.897 8.699 1.00 17.89 N +ATOM 817 CA VAL A 108 22.765 3.086 9.097 1.00 18.38 C +ATOM 818 C VAL A 108 21.804 2.422 8.136 1.00 15.49 C +ATOM 819 O VAL A 108 20.718 1.898 8.475 1.00 16.73 O +ATOM 820 CB VAL A 108 22.442 4.569 9.388 1.00 20.05 C +ATOM 821 CG1 VAL A 108 23.531 5.328 10.110 1.00 20.07 C +ATOM 822 CG2 VAL A 108 22.010 5.321 8.151 1.00 24.53 C +ATOM 823 N MET A 109 22.129 2.379 6.854 1.00 17.22 N +ATOM 824 CA MET A 109 21.273 1.761 5.834 1.00 17.85 C +ATOM 825 C MET A 109 21.113 0.266 6.093 1.00 10.47 C +ATOM 826 O MET A 109 20.050 -0.359 5.886 1.00 14.11 O +ATOM 827 CB MET A 109 21.909 2.144 4.505 1.00 22.24 C +ATOM 828 CG MET A 109 20.979 2.621 3.457 1.00 29.60 C +ATOM 829 SD MET A 109 19.894 3.984 4.029 1.00 32.18 S +ATOM 830 CE MET A 109 18.527 3.674 2.904 1.00 33.27 C +ATOM 831 N THR A 110 22.191 -0.363 6.558 1.00 17.98 N +ATOM 832 CA THR A 110 22.121 -1.826 6.819 1.00 22.31 C +ATOM 833 C THR A 110 21.151 -2.012 7.994 1.00 22.14 C +ATOM 834 O THR A 110 20.346 -2.952 7.952 1.00 26.54 O +ATOM 835 CB THR A 110 23.510 -2.540 6.922 1.00 21.86 C +ATOM 836 OG1 THR A 110 23.953 -2.589 8.315 1.00 33.28 O +ATOM 837 CG2 THR A 110 24.612 -1.981 6.033 1.00 19.63 C +ATOM 838 N ASN A 111 21.248 -1.106 8.950 1.00 25.65 N +ATOM 839 CA ASN A 111 20.368 -1.121 10.142 1.00 21.59 C +ATOM 840 C ASN A 111 18.913 -0.904 9.751 1.00 25.07 C +ATOM 841 O ASN A 111 18.005 -1.294 10.505 1.00 27.22 O +ATOM 842 CB ASN A 111 20.877 -0.158 11.210 1.00 28.26 C +ATOM 843 CG ASN A 111 22.088 -0.707 11.942 1.00 28.57 C +ATOM 844 OD1 ASN A 111 22.764 0.053 12.638 1.00 34.57 O +ATOM 845 ND2 ASN A 111 22.392 -1.990 11.802 1.00 28.88 N +ATOM 846 N LEU A 112 18.684 -0.286 8.606 1.00 22.38 N +ATOM 847 CA LEU A 112 17.353 -0.012 8.074 1.00 21.94 C +ATOM 848 C LEU A 112 16.818 -1.139 7.223 1.00 20.89 C +ATOM 849 O LEU A 112 15.662 -1.110 6.757 1.00 24.83 O +ATOM 850 CB LEU A 112 17.409 1.361 7.367 1.00 28.40 C +ATOM 851 CG LEU A 112 16.985 2.575 8.181 1.00 32.53 C +ATOM 852 CD1 LEU A 112 17.316 2.403 9.662 1.00 33.72 C +ATOM 853 CD2 LEU A 112 17.701 3.814 7.648 1.00 32.97 C +ATOM 854 N GLY A 113 17.645 -2.143 6.991 1.00 13.38 N +ATOM 855 CA GLY A 113 17.382 -3.345 6.242 1.00 13.85 C +ATOM 856 C GLY A 113 17.808 -3.292 4.774 1.00 16.81 C +ATOM 857 O GLY A 113 17.410 -4.213 4.074 1.00 15.55 O +ATOM 858 N GLU A 114 18.545 -2.293 4.403 1.00 12.74 N +ATOM 859 CA GLU A 114 19.055 -2.096 3.031 1.00 20.68 C +ATOM 860 C GLU A 114 20.568 -2.255 3.002 1.00 16.21 C +ATOM 861 O GLU A 114 21.318 -1.394 3.467 1.00 16.36 O +ATOM 862 CB GLU A 114 18.749 -0.706 2.486 1.00 23.41 C +ATOM 863 CG GLU A 114 17.321 -0.427 2.053 1.00 28.79 C +ATOM 864 CD GLU A 114 16.762 -1.417 1.073 1.00 30.38 C +ATOM 865 OE1 GLU A 114 17.447 -1.993 0.249 1.00 33.28 O +ATOM 866 OE2 GLU A 114 15.536 -1.575 1.207 1.00 33.01 O +ATOM 867 N LYS A 115 20.988 -3.354 2.402 1.00 17.64 N +ATOM 868 CA LYS A 115 22.396 -3.713 2.225 1.00 16.35 C +ATOM 869 C LYS A 115 22.814 -3.172 0.849 1.00 13.69 C +ATOM 870 O LYS A 115 22.499 -3.789 -0.177 1.00 19.70 O +ATOM 871 CB LYS A 115 22.588 -5.215 2.345 1.00 22.75 C +ATOM 872 CG LYS A 115 22.512 -5.680 3.791 1.00 22.22 C +ATOM 873 CD LYS A 115 22.410 -7.205 3.920 1.00 30.21 C +ATOM 874 CE LYS A 115 23.004 -7.667 5.244 1.00 32.56 C +ATOM 875 NZ LYS A 115 24.265 -6.921 5.490 1.00 34.87 N +ATOM 876 N LEU A 116 23.479 -2.055 0.898 1.00 12.64 N +ATOM 877 CA LEU A 116 23.950 -1.332 -0.301 1.00 11.47 C +ATOM 878 C LEU A 116 25.439 -1.555 -0.505 1.00 8.92 C +ATOM 879 O LEU A 116 26.210 -1.765 0.455 1.00 9.78 O +ATOM 880 CB LEU A 116 23.631 0.143 0.022 1.00 18.42 C +ATOM 881 CG LEU A 116 22.364 0.815 -0.443 1.00 22.89 C +ATOM 882 CD1 LEU A 116 21.265 -0.159 -0.806 1.00 19.53 C +ATOM 883 CD2 LEU A 116 21.929 1.798 0.645 1.00 24.21 C +ATOM 884 N THR A 117 25.857 -1.493 -1.765 1.00 11.57 N +ATOM 885 CA THR A 117 27.296 -1.646 -2.068 1.00 10.45 C +ATOM 886 C THR A 117 27.863 -0.246 -1.906 1.00 12.44 C +ATOM 887 O THR A 117 27.065 0.709 -1.760 1.00 15.68 O +ATOM 888 CB THR A 117 27.507 -2.160 -3.544 1.00 6.20 C +ATOM 889 OG1 THR A 117 27.009 -1.130 -4.423 1.00 14.05 O +ATOM 890 CG2 THR A 117 26.816 -3.486 -3.858 1.00 9.07 C +ATOM 891 N ASP A 118 29.174 -0.150 -1.906 1.00 10.98 N +ATOM 892 CA ASP A 118 29.839 1.168 -1.812 1.00 10.40 C +ATOM 893 C ASP A 118 29.437 2.041 -3.014 1.00 13.14 C +ATOM 894 O ASP A 118 29.249 3.263 -2.842 1.00 16.62 O +ATOM 895 CB ASP A 118 31.348 1.000 -1.697 1.00 16.46 C +ATOM 896 CG AASP A 118 32.107 2.291 -1.516 0.50 13.30 C +ATOM 897 CG BASP A 118 31.758 0.438 -0.326 0.50 22.66 C +ATOM 898 OD1AASP A 118 31.940 2.877 -0.421 0.50 16.97 O +ATOM 899 OD1BASP A 118 30.962 0.421 0.650 0.50 22.97 O +ATOM 900 OD2AASP A 118 32.863 2.737 -2.402 0.50 16.23 O +ATOM 901 OD2BASP A 118 32.886 -0.103 -0.173 0.50 22.16 O +ATOM 902 N GLU A 119 29.352 1.460 -4.189 1.00 14.88 N +ATOM 903 CA GLU A 119 28.982 2.220 -5.391 1.00 15.46 C +ATOM 904 C GLU A 119 27.573 2.800 -5.229 1.00 15.37 C +ATOM 905 O GLU A 119 27.378 3.966 -5.625 1.00 12.27 O +ATOM 906 CB GLU A 119 29.080 1.382 -6.653 1.00 21.90 C +ATOM 907 CG GLU A 119 28.234 1.799 -7.850 1.00 31.31 C +ATOM 908 CD GLU A 119 28.533 1.058 -9.119 1.00 35.39 C +ATOM 909 OE1 GLU A 119 29.696 1.312 -9.507 1.00 37.83 O +ATOM 910 OE2 GLU A 119 27.759 0.316 -9.692 1.00 42.50 O +ATOM 911 N GLU A 120 26.664 2.022 -4.691 1.00 12.34 N +ATOM 912 CA GLU A 120 25.278 2.502 -4.482 1.00 13.81 C +ATOM 913 C GLU A 120 25.279 3.634 -3.464 1.00 17.51 C +ATOM 914 O GLU A 120 24.531 4.617 -3.684 1.00 20.47 O +ATOM 915 CB GLU A 120 24.275 1.438 -4.102 1.00 11.80 C +ATOM 916 CG GLU A 120 24.131 0.193 -4.933 1.00 19.49 C +ATOM 917 CD GLU A 120 23.297 -0.974 -4.607 1.00 19.71 C +ATOM 918 OE1 GLU A 120 23.591 -1.576 -3.547 1.00 23.54 O +ATOM 919 OE2 GLU A 120 22.385 -1.363 -5.331 1.00 26.94 O +ATOM 920 N VAL A 121 26.048 3.563 -2.404 1.00 14.00 N +ATOM 921 CA VAL A 121 26.113 4.619 -1.379 1.00 20.56 C +ATOM 922 C VAL A 121 26.760 5.882 -1.951 1.00 18.88 C +ATOM 923 O VAL A 121 26.317 7.023 -1.682 1.00 15.07 O +ATOM 924 CB VAL A 121 26.812 4.159 -0.092 1.00 20.95 C +ATOM 925 CG1 VAL A 121 27.103 5.328 0.854 1.00 21.82 C +ATOM 926 CG2 VAL A 121 26.052 3.073 0.657 1.00 27.91 C +ATOM 927 N ASP A 122 27.794 5.712 -2.748 1.00 16.45 N +ATOM 928 CA ASP A 122 28.518 6.833 -3.372 1.00 18.15 C +ATOM 929 C ASP A 122 27.550 7.623 -4.263 1.00 17.09 C +ATOM 930 O ASP A 122 27.649 8.855 -4.258 1.00 18.60 O +ATOM 931 CB ASP A 122 29.775 6.375 -4.104 1.00 20.93 C +ATOM 932 CG ASP A 122 30.974 6.132 -3.223 1.00 26.20 C +ATOM 933 OD1 ASP A 122 31.122 6.680 -2.118 1.00 30.64 O +ATOM 934 OD2 ASP A 122 31.830 5.341 -3.686 1.00 32.60 O +ATOM 935 N GLU A 123 26.676 6.947 -4.958 1.00 17.41 N +ATOM 936 CA GLU A 123 25.689 7.582 -5.856 1.00 17.64 C +ATOM 937 C GLU A 123 24.688 8.388 -5.035 1.00 17.66 C +ATOM 938 O GLU A 123 24.236 9.460 -5.458 1.00 15.21 O +ATOM 939 CB GLU A 123 24.930 6.530 -6.620 1.00 24.75 C +ATOM 940 CG GLU A 123 24.268 6.843 -7.949 1.00 31.70 C +ATOM 941 CD GLU A 123 23.512 5.685 -8.539 1.00 36.02 C +ATOM 942 OE1 GLU A 123 24.068 4.589 -8.248 1.00 41.52 O +ATOM 943 OE2 GLU A 123 22.490 5.801 -9.201 1.00 37.82 O +ATOM 944 N MET A 124 24.335 7.867 -3.883 1.00 18.88 N +ATOM 945 CA MET A 124 23.383 8.529 -2.972 1.00 19.52 C +ATOM 946 C MET A 124 24.019 9.826 -2.459 1.00 18.78 C +ATOM 947 O MET A 124 23.299 10.839 -2.377 1.00 21.59 O +ATOM 948 CB MET A 124 22.938 7.658 -1.804 1.00 22.22 C +ATOM 949 CG MET A 124 22.070 6.484 -2.155 1.00 27.24 C +ATOM 950 SD MET A 124 21.539 5.654 -0.595 1.00 33.21 S +ATOM 951 CE MET A 124 21.621 7.041 0.533 1.00 28.08 C +ATOM 952 N ILE A 125 25.282 9.782 -2.101 1.00 15.76 N +ATOM 953 CA ILE A 125 26.016 10.923 -1.558 1.00 18.72 C +ATOM 954 C ILE A 125 26.114 12.003 -2.648 1.00 22.84 C +ATOM 955 O ILE A 125 25.806 13.161 -2.399 1.00 24.22 O +ATOM 956 CB ILE A 125 27.428 10.567 -1.003 1.00 21.27 C +ATOM 957 CG1 ILE A 125 27.331 9.576 0.187 1.00 19.99 C +ATOM 958 CG2 ILE A 125 28.300 11.783 -0.560 1.00 14.28 C +ATOM 959 CD1 ILE A 125 26.725 10.085 1.496 1.00 23.70 C +ATOM 960 N ARG A 126 26.563 11.550 -3.808 1.00 24.18 N +ATOM 961 CA ARG A 126 26.755 12.441 -4.958 1.00 24.45 C +ATOM 962 C ARG A 126 25.526 13.269 -5.256 1.00 25.57 C +ATOM 963 O ARG A 126 25.674 14.473 -5.500 1.00 25.35 O +ATOM 964 CB ARG A 126 27.177 11.672 -6.225 1.00 21.84 C +ATOM 965 CG ARG A 126 28.661 11.326 -6.167 1.00 24.22 C +ATOM 966 CD ARG A 126 29.237 11.012 -7.504 1.00 28.33 C +ATOM 967 NE ARG A 126 28.865 9.668 -7.957 1.00 32.06 N +ATOM 968 CZ ARG A 126 27.901 9.520 -8.860 1.00 31.98 C +ATOM 969 NH1 ARG A 126 27.295 10.614 -9.306 1.00 37.36 N +ATOM 970 NH2 ARG A 126 27.577 8.328 -9.338 1.00 29.43 N +ATOM 971 N GLU A 127 24.390 12.629 -5.224 1.00 24.18 N +ATOM 972 CA GLU A 127 23.122 13.312 -5.518 1.00 26.34 C +ATOM 973 C GLU A 127 22.833 14.487 -4.602 1.00 27.12 C +ATOM 974 O GLU A 127 22.190 15.478 -5.013 1.00 26.79 O +ATOM 975 CB GLU A 127 22.013 12.274 -5.386 1.00 29.28 C +ATOM 976 CG GLU A 127 20.822 12.359 -6.327 1.00 39.60 C +ATOM 977 CD GLU A 127 20.027 11.088 -6.386 1.00 42.87 C +ATOM 978 OE1 GLU A 127 20.744 10.133 -6.727 1.00 46.47 O +ATOM 979 OE2 GLU A 127 18.846 11.002 -6.125 1.00 49.38 O +ATOM 980 N ALA A 128 23.292 14.421 -3.362 1.00 24.46 N +ATOM 981 CA ALA A 128 23.050 15.486 -2.379 1.00 23.77 C +ATOM 982 C ALA A 128 24.225 16.373 -2.083 1.00 23.91 C +ATOM 983 O ALA A 128 24.025 17.409 -1.411 1.00 29.10 O +ATOM 984 CB ALA A 128 22.580 14.790 -1.093 1.00 25.84 C +ATOM 985 N ASP A 129 25.404 16.021 -2.541 1.00 25.22 N +ATOM 986 CA ASP A 129 26.669 16.705 -2.327 1.00 26.68 C +ATOM 987 C ASP A 129 26.828 17.969 -3.176 1.00 29.48 C +ATOM 988 O ASP A 129 27.341 17.834 -4.298 1.00 28.32 O +ATOM 989 CB ASP A 129 27.812 15.714 -2.601 1.00 25.33 C +ATOM 990 CG ASP A 129 29.132 16.286 -2.148 1.00 26.32 C +ATOM 991 OD1 ASP A 129 29.127 17.280 -1.406 1.00 28.49 O +ATOM 992 OD2 ASP A 129 30.167 15.723 -2.566 1.00 28.27 O +ATOM 993 N ILE A 130 26.440 19.103 -2.626 1.00 32.93 N +ATOM 994 CA ILE A 130 26.497 20.404 -3.305 1.00 32.17 C +ATOM 995 C ILE A 130 27.853 21.092 -3.333 1.00 34.02 C +ATOM 996 O ILE A 130 28.127 21.801 -4.316 1.00 34.80 O +ATOM 997 CB ILE A 130 25.450 21.406 -2.695 1.00 31.49 C +ATOM 998 CG1 ILE A 130 24.014 20.836 -2.738 1.00 28.74 C +ATOM 999 CG2 ILE A 130 25.497 22.795 -3.397 1.00 28.12 C +ATOM 1000 CD1 ILE A 130 23.101 21.543 -1.695 1.00 30.45 C +ATOM 1001 N ASP A 131 28.645 20.910 -2.302 1.00 35.99 N +ATOM 1002 CA ASP A 131 29.977 21.525 -2.190 1.00 36.40 C +ATOM 1003 C ASP A 131 31.067 20.539 -2.618 1.00 37.81 C +ATOM 1004 O ASP A 131 32.271 20.784 -2.429 1.00 39.78 O +ATOM 1005 CB ASP A 131 30.180 22.103 -0.789 1.00 35.20 C +ATOM 1006 CG ASP A 131 30.282 21.040 0.281 1.00 37.29 C +ATOM 1007 OD1 ASP A 131 30.424 19.858 -0.114 1.00 35.06 O +ATOM 1008 OD2 ASP A 131 30.250 21.330 1.488 1.00 39.90 O +ATOM 1009 N GLY A 132 30.638 19.438 -3.191 1.00 37.47 N +ATOM 1010 CA GLY A 132 31.471 18.349 -3.693 1.00 34.52 C +ATOM 1011 C GLY A 132 32.682 18.039 -2.837 1.00 35.62 C +ATOM 1012 O GLY A 132 33.821 18.092 -3.345 1.00 39.10 O +ATOM 1013 N ASP A 133 32.462 17.709 -1.575 1.00 34.75 N +ATOM 1014 CA ASP A 133 33.548 17.362 -0.645 1.00 28.46 C +ATOM 1015 C ASP A 133 33.453 15.859 -0.353 1.00 28.01 C +ATOM 1016 O ASP A 133 34.275 15.315 0.376 1.00 26.53 O +ATOM 1017 CB ASP A 133 33.597 18.222 0.605 1.00 31.74 C +ATOM 1018 CG ASP A 133 32.466 17.941 1.590 1.00 32.07 C +ATOM 1019 OD1 ASP A 133 31.410 17.478 1.113 1.00 32.00 O +ATOM 1020 OD2 ASP A 133 32.636 18.199 2.795 1.00 31.53 O +ATOM 1021 N GLY A 134 32.473 15.226 -0.951 1.00 27.96 N +ATOM 1022 CA GLY A 134 32.203 13.799 -0.846 1.00 29.38 C +ATOM 1023 C GLY A 134 31.418 13.385 0.396 1.00 29.34 C +ATOM 1024 O GLY A 134 31.260 12.176 0.617 1.00 31.75 O +ATOM 1025 N GLN A 135 30.955 14.351 1.155 1.00 29.92 N +ATOM 1026 CA GLN A 135 30.185 14.092 2.384 1.00 28.61 C +ATOM 1027 C GLN A 135 28.912 14.918 2.382 1.00 26.53 C +ATOM 1028 O GLN A 135 28.816 15.812 1.536 1.00 25.59 O +ATOM 1029 CB GLN A 135 30.980 14.519 3.624 1.00 29.34 C +ATOM 1030 CG GLN A 135 32.233 13.695 3.786 1.00 35.92 C +ATOM 1031 CD GLN A 135 33.166 14.341 4.781 1.00 40.73 C +ATOM 1032 OE1 GLN A 135 33.369 15.549 4.744 1.00 43.44 O +ATOM 1033 NE2 GLN A 135 33.703 13.493 5.652 1.00 38.16 N +ATOM 1034 N VAL A 136 27.995 14.620 3.290 1.00 27.00 N +ATOM 1035 CA VAL A 136 26.768 15.445 3.308 1.00 26.02 C +ATOM 1036 C VAL A 136 26.772 16.226 4.622 1.00 27.90 C +ATOM 1037 O VAL A 136 26.897 15.634 5.704 1.00 25.44 O +ATOM 1038 CB VAL A 136 25.479 14.693 2.989 1.00 27.97 C +ATOM 1039 CG1 VAL A 136 25.705 13.495 2.076 1.00 30.03 C +ATOM 1040 CG2 VAL A 136 24.669 14.349 4.216 1.00 32.46 C +ATOM 1041 N ASN A 137 26.663 17.529 4.443 1.00 25.75 N +ATOM 1042 CA ASN A 137 26.632 18.420 5.637 1.00 26.18 C +ATOM 1043 C ASN A 137 25.155 18.560 5.973 1.00 22.55 C +ATOM 1044 O ASN A 137 24.331 18.016 5.227 1.00 19.93 O +ATOM 1045 CB ASN A 137 27.409 19.699 5.411 1.00 28.53 C +ATOM 1046 CG ASN A 137 26.779 20.659 4.433 1.00 26.88 C +ATOM 1047 OD1 ASN A 137 27.400 21.702 4.129 1.00 35.85 O +ATOM 1048 ND2 ASN A 137 25.584 20.378 3.952 1.00 26.83 N +ATOM 1049 N TYR A 138 24.850 19.270 7.048 1.00 24.78 N +ATOM 1050 CA TYR A 138 23.454 19.448 7.469 1.00 23.50 C +ATOM 1051 C TYR A 138 22.606 20.150 6.436 1.00 20.23 C +ATOM 1052 O TYR A 138 21.456 19.754 6.155 1.00 20.32 O +ATOM 1053 CB TYR A 138 23.390 20.117 8.873 1.00 28.35 C +ATOM 1054 CG TYR A 138 21.944 20.343 9.283 1.00 27.38 C +ATOM 1055 CD1 TYR A 138 21.108 19.250 9.542 1.00 26.39 C +ATOM 1056 CD2 TYR A 138 21.414 21.628 9.398 1.00 27.44 C +ATOM 1057 CE1 TYR A 138 19.776 19.426 9.906 1.00 31.51 C +ATOM 1058 CE2 TYR A 138 20.077 21.809 9.751 1.00 28.63 C +ATOM 1059 CZ TYR A 138 19.268 20.721 10.010 1.00 28.67 C +ATOM 1060 OH TYR A 138 17.971 20.946 10.369 1.00 32.79 O +ATOM 1061 N GLU A 139 23.178 21.224 5.879 1.00 22.97 N +ATOM 1062 CA GLU A 139 22.463 21.984 4.853 1.00 24.26 C +ATOM 1063 C GLU A 139 22.033 21.063 3.718 1.00 22.58 C +ATOM 1064 O GLU A 139 20.863 21.061 3.315 1.00 22.14 O +ATOM 1065 CB GLU A 139 23.281 23.145 4.276 1.00 27.79 C +ATOM 1066 CG GLU A 139 22.625 23.737 3.029 1.00 35.74 C +ATOM 1067 CD GLU A 139 23.085 25.080 2.549 1.00 38.18 C +ATOM 1068 OE1 GLU A 139 24.243 25.347 2.914 1.00 38.14 O +ATOM 1069 OE2 GLU A 139 22.347 25.771 1.862 1.00 38.80 O +ATOM 1070 N GLU A 140 22.977 20.280 3.211 1.00 24.44 N +ATOM 1071 CA GLU A 140 22.708 19.329 2.111 1.00 21.16 C +ATOM 1072 C GLU A 140 21.702 18.264 2.524 1.00 22.90 C +ATOM 1073 O GLU A 140 20.886 17.783 1.722 1.00 21.73 O +ATOM 1074 CB GLU A 140 24.006 18.672 1.650 1.00 25.54 C +ATOM 1075 CG GLU A 140 25.053 19.500 0.918 1.00 27.23 C +ATOM 1076 CD GLU A 140 26.457 19.013 0.996 1.00 27.89 C +ATOM 1077 OE1 GLU A 140 26.825 18.170 1.799 1.00 26.44 O +ATOM 1078 OE2 GLU A 140 27.259 19.519 0.179 1.00 24.17 O +ATOM 1079 N PHE A 141 21.754 17.901 3.800 1.00 24.94 N +ATOM 1080 CA PHE A 141 20.845 16.890 4.380 1.00 23.65 C +ATOM 1081 C PHE A 141 19.413 17.413 4.405 1.00 25.48 C +ATOM 1082 O PHE A 141 18.481 16.674 4.057 1.00 26.26 O +ATOM 1083 CB PHE A 141 21.309 16.408 5.752 1.00 25.31 C +ATOM 1084 CG PHE A 141 20.487 15.368 6.444 1.00 24.55 C +ATOM 1085 CD1 PHE A 141 20.674 14.013 6.172 1.00 26.37 C +ATOM 1086 CD2 PHE A 141 19.532 15.738 7.399 1.00 27.96 C +ATOM 1087 CE1 PHE A 141 19.910 13.040 6.824 1.00 25.57 C +ATOM 1088 CE2 PHE A 141 18.776 14.786 8.061 1.00 27.08 C +ATOM 1089 CZ PHE A 141 18.944 13.427 7.770 1.00 27.38 C +ATOM 1090 N VAL A 142 19.253 18.663 4.828 1.00 27.54 N +ATOM 1091 CA VAL A 142 17.874 19.223 4.871 1.00 32.91 C +ATOM 1092 C VAL A 142 17.330 19.322 3.447 1.00 33.99 C +ATOM 1093 O VAL A 142 16.149 19.034 3.166 1.00 32.31 O +ATOM 1094 CB VAL A 142 17.844 20.506 5.707 1.00 35.90 C +ATOM 1095 CG1 VAL A 142 18.725 20.418 6.951 1.00 37.48 C +ATOM 1096 CG2 VAL A 142 18.157 21.770 4.928 1.00 37.47 C +ATOM 1097 N GLN A 143 18.207 19.695 2.529 1.00 39.08 N +ATOM 1098 CA GLN A 143 17.788 19.809 1.115 1.00 44.99 C +ATOM 1099 C GLN A 143 17.223 18.466 0.642 1.00 46.83 C +ATOM 1100 O GLN A 143 16.179 18.449 -0.027 1.00 47.28 O +ATOM 1101 CB GLN A 143 18.886 20.301 0.179 1.00 48.44 C +ATOM 1102 CG GLN A 143 19.513 21.602 0.640 1.00 53.90 C +ATOM 1103 CD GLN A 143 19.498 22.650 -0.448 1.00 56.61 C +ATOM 1104 OE1 GLN A 143 18.632 22.666 -1.319 1.00 58.44 O +ATOM 1105 NE2 GLN A 143 20.479 23.551 -0.371 1.00 60.07 N +ATOM 1106 N MET A 144 17.914 17.395 0.988 1.00 48.93 N +ATOM 1107 CA MET A 144 17.507 16.036 0.595 1.00 51.20 C +ATOM 1108 C MET A 144 16.268 15.586 1.366 1.00 52.52 C +ATOM 1109 O MET A 144 15.403 14.875 0.826 1.00 51.30 O +ATOM 1110 CB MET A 144 18.697 15.101 0.717 1.00 52.48 C +ATOM 1111 CG MET A 144 18.692 13.996 -0.294 1.00 56.97 C +ATOM 1112 SD MET A 144 18.478 14.621 -1.996 1.00 60.64 S +ATOM 1113 CE MET A 144 19.621 16.005 -2.023 1.00 58.95 C +ATOM 1114 N MET A 145 16.188 16.019 2.608 1.00 53.95 N +ATOM 1115 CA MET A 145 15.081 15.705 3.519 1.00 56.65 C +ATOM 1116 C MET A 145 13.765 16.338 3.076 1.00 59.15 C +ATOM 1117 O MET A 145 12.816 15.644 2.680 1.00 60.32 O +ATOM 1118 CB MET A 145 15.452 16.115 4.943 1.00 55.72 C +ATOM 1119 CG MET A 145 15.940 14.930 5.739 1.00 57.44 C +ATOM 1120 SD MET A 145 15.881 13.459 4.657 1.00 58.23 S +ATOM 1121 CE MET A 145 17.490 12.736 4.995 1.00 58.02 C +ATOM 1122 N THR A 146 13.727 17.651 3.166 1.00 62.18 N +ATOM 1123 CA THR A 146 12.558 18.451 2.797 1.00 65.34 C +ATOM 1124 C THR A 146 12.199 18.268 1.329 1.00 67.12 C +ATOM 1125 O THR A 146 11.073 17.854 1.003 1.00 68.37 O +ATOM 1126 CB THR A 146 12.781 19.972 3.163 1.00 66.92 C +ATOM 1127 OG1 THR A 146 13.796 20.484 2.242 1.00 68.17 O +ATOM 1128 CG2 THR A 146 13.179 20.186 4.629 1.00 67.78 C +ATOM 1129 N ALA A 147 13.153 18.574 0.465 1.00 68.40 N +ATOM 1130 CA ALA A 147 12.996 18.460 -0.991 1.00 69.08 C +ATOM 1131 C ALA A 147 13.200 17.008 -1.431 1.00 69.21 C +ATOM 1132 O ALA A 147 12.239 16.249 -1.625 1.00 70.46 O +ATOM 1133 CB ALA A 147 13.966 19.389 -1.705 1.00 69.58 C +TER 1134 ALA A 147 +END diff --git a/bench/main_benchmark/structures/SFB_AL_CDK6_1BI7A_2EUFB/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_CDK6_1BI7A_2EUFB/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..939de0166abe50a3dbe6acbb649efbafe02cf696 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_CDK6_1BI7A_2EUFB/state_a.pdb @@ -0,0 +1,2145 @@ +ATOM 1 N ASP A 10 123.843 61.357 110.353 1.00 51.43 N +ATOM 2 CA ASP A 10 125.297 61.564 110.579 1.00 51.43 C +ATOM 3 C ASP A 10 125.944 60.192 110.518 1.00 51.43 C +ATOM 4 O ASP A 10 125.264 59.188 110.752 1.00 51.43 O +ATOM 5 CB ASP A 10 125.563 62.183 111.954 1.00 43.01 C +ATOM 6 CG ASP A 10 126.241 63.548 111.875 1.00 43.01 C +ATOM 7 OD1 ASP A 10 126.934 63.839 110.872 1.00 43.01 O +ATOM 8 OD2 ASP A 10 126.097 64.329 112.858 1.00 43.01 O +ATOM 9 N GLN A 11 127.242 60.161 110.212 1.00 35.86 N +ATOM 10 CA GLN A 11 127.979 58.920 110.129 1.00 35.86 C +ATOM 11 C GLN A 11 128.871 58.546 111.335 1.00 35.86 C +ATOM 12 O GLN A 11 129.649 59.342 111.906 1.00 35.86 O +ATOM 13 CB GLN A 11 128.793 58.856 108.847 1.00 86.13 C +ATOM 14 CG GLN A 11 128.046 59.336 107.658 1.00 86.13 C +ATOM 15 CD GLN A 11 128.355 60.771 107.380 1.00 86.13 C +ATOM 16 OE1 GLN A 11 128.483 61.586 108.295 1.00 86.13 O +ATOM 17 NE2 GLN A 11 128.511 61.095 106.113 1.00 86.13 N +ATOM 18 N GLN A 12 128.687 57.292 111.720 1.00 80.65 N +ATOM 19 CA GLN A 12 129.420 56.645 112.790 1.00 80.65 C +ATOM 20 C GLN A 12 130.716 56.104 112.184 1.00 80.65 C +ATOM 21 O GLN A 12 131.729 55.937 112.863 1.00 80.65 O +ATOM 22 CB GLN A 12 128.585 55.488 113.332 1.00 99.90 C +ATOM 23 CG GLN A 12 127.777 54.738 112.280 1.00 99.90 C +ATOM 24 CD GLN A 12 127.608 53.285 112.635 1.00 99.90 C +ATOM 25 OE1 GLN A 12 128.336 52.436 112.123 1.00 99.90 O +ATOM 26 NE2 GLN A 12 126.689 52.991 113.559 1.00 99.90 N +ATOM 27 N TYR A 13 130.625 55.764 110.904 1.00 55.68 N +ATOM 28 CA TYR A 13 131.741 55.262 110.125 1.00 55.68 C +ATOM 29 C TYR A 13 132.653 56.460 109.918 1.00 55.68 C +ATOM 30 O TYR A 13 132.176 57.515 109.464 1.00 55.68 O +ATOM 31 CB TYR A 13 131.240 54.832 108.759 1.00 42.90 C +ATOM 32 CG TYR A 13 129.920 54.125 108.782 1.00 42.90 C +ATOM 33 CD1 TYR A 13 129.834 52.804 109.155 1.00 42.90 C +ATOM 34 CD2 TYR A 13 128.767 54.762 108.375 1.00 42.90 C +ATOM 35 CE1 TYR A 13 128.648 52.129 109.104 1.00 42.90 C +ATOM 36 CE2 TYR A 13 127.568 54.094 108.327 1.00 42.90 C +ATOM 37 CZ TYR A 13 127.521 52.769 108.692 1.00 42.90 C +ATOM 38 OH TYR A 13 126.352 52.054 108.603 1.00 42.90 O +ATOM 39 N GLU A 14 133.940 56.303 110.244 1.00 40.29 N +ATOM 40 CA GLU A 14 134.914 57.385 110.089 1.00 40.29 C +ATOM 41 C GLU A 14 135.751 57.228 108.838 1.00 40.29 C +ATOM 42 O GLU A 14 136.426 56.205 108.607 1.00 40.29 O +ATOM 43 CB GLU A 14 135.806 57.568 111.323 1.00 87.23 C +ATOM 44 CG GLU A 14 136.618 58.876 111.304 1.00 87.23 C +ATOM 45 CD GLU A 14 137.189 59.247 112.668 1.00 87.23 C +ATOM 46 OE1 GLU A 14 136.502 59.018 113.680 1.00 87.23 O +ATOM 47 OE2 GLU A 14 138.315 59.784 112.743 1.00 87.23 O +ATOM 48 N CYS A 15 135.631 58.263 108.018 1.00 41.12 N +ATOM 49 CA CYS A 15 136.304 58.363 106.758 1.00 41.12 C +ATOM 50 C CYS A 15 137.773 58.239 106.996 1.00 41.12 C +ATOM 51 O CYS A 15 138.396 59.134 107.558 1.00 41.12 O +ATOM 52 CB CYS A 15 135.991 59.699 106.134 1.00 65.17 C +ATOM 53 SG CYS A 15 135.273 59.494 104.542 1.00 65.17 S +ATOM 54 N VAL A 16 138.317 57.095 106.615 1.00 40.11 N +ATOM 55 CA VAL A 16 139.725 56.871 106.801 1.00 40.11 C +ATOM 56 C VAL A 16 140.538 57.335 105.590 1.00 40.11 C +ATOM 57 O VAL A 16 141.690 57.687 105.750 1.00 40.11 O +ATOM 58 CB VAL A 16 140.009 55.419 107.186 1.00 70.79 C +ATOM 59 CG1 VAL A 16 140.063 54.562 105.973 1.00 70.79 C +ATOM 60 CG2 VAL A 16 141.280 55.324 107.986 1.00 70.79 C +ATOM 61 N ALA A 17 139.957 57.367 104.392 1.00 38.63 N +ATOM 62 CA ALA A 17 140.701 57.851 103.221 1.00 38.63 C +ATOM 63 C ALA A 17 139.900 57.850 101.967 1.00 38.63 C +ATOM 64 O ALA A 17 139.059 56.997 101.781 1.00 38.63 O +ATOM 65 CB ALA A 17 141.905 57.050 102.983 1.00 30.90 C +ATOM 66 N GLU A 18 140.200 58.785 101.076 1.00 44.54 N +ATOM 67 CA GLU A 18 139.495 58.856 99.808 1.00 44.54 C +ATOM 68 C GLU A 18 140.018 57.699 98.997 1.00 44.54 C +ATOM 69 O GLU A 18 141.200 57.382 99.066 1.00 44.54 O +ATOM 70 CB GLU A 18 139.798 60.160 99.077 1.00 99.90 C +ATOM 71 CG GLU A 18 139.282 61.400 99.775 1.00 99.90 C +ATOM 72 CD GLU A 18 139.465 62.653 98.942 1.00 99.90 C +ATOM 73 OE1 GLU A 18 139.171 62.612 97.726 1.00 99.90 O +ATOM 74 OE2 GLU A 18 139.901 63.680 99.508 1.00 99.90 O +ATOM 75 N ILE A 19 139.145 57.062 98.237 1.00 29.62 N +ATOM 76 CA ILE A 19 139.551 55.921 97.437 1.00 29.62 C +ATOM 77 C ILE A 19 138.960 55.957 96.028 1.00 29.62 C +ATOM 78 O ILE A 19 139.058 54.977 95.276 1.00 29.62 O +ATOM 79 CB ILE A 19 139.121 54.591 98.104 1.00 26.84 C +ATOM 80 CG1 ILE A 19 137.611 54.552 98.224 1.00 26.84 C +ATOM 81 CG2 ILE A 19 139.725 54.451 99.481 1.00 26.84 C +ATOM 82 CD1 ILE A 19 137.129 53.410 98.966 1.00 26.84 C +ATOM 83 N GLY A 20 138.327 57.061 95.657 1.00 50.81 N +ATOM 84 CA GLY A 20 137.761 57.116 94.325 1.00 50.81 C +ATOM 85 C GLY A 20 136.632 58.100 94.255 1.00 50.81 C +ATOM 86 O GLY A 20 136.010 58.422 95.270 1.00 50.81 O +ATOM 87 N GLU A 21 136.345 58.550 93.044 1.00 54.53 N +ATOM 88 CA GLU A 21 135.305 59.533 92.822 1.00 54.53 C +ATOM 89 C GLU A 21 134.445 58.888 91.774 1.00 54.53 C +ATOM 90 O GLU A 21 134.875 58.695 90.643 1.00 54.53 O +ATOM 91 CB GLU A 21 135.954 60.810 92.274 1.00 99.90 C +ATOM 92 CG GLU A 21 135.118 62.083 92.281 1.00 99.90 C +ATOM 93 CD GLU A 21 135.911 63.289 91.752 1.00 99.90 C +ATOM 94 OE1 GLU A 21 136.361 63.247 90.581 1.00 99.90 O +ATOM 95 OE2 GLU A 21 136.098 64.273 92.507 1.00 99.90 O +ATOM 96 N GLY A 22 133.298 58.394 92.187 1.00 47.96 N +ATOM 97 CA GLY A 22 132.416 57.790 91.215 1.00 47.96 C +ATOM 98 C GLY A 22 131.560 58.922 90.686 1.00 47.96 C +ATOM 99 O GLY A 22 131.602 60.043 91.209 1.00 47.96 O +ATOM 100 N ALA A 23 130.766 58.631 89.664 1.00 99.90 N +ATOM 101 CA ALA A 23 129.884 59.634 89.073 1.00 99.90 C +ATOM 102 C ALA A 23 129.042 60.282 90.173 1.00 99.90 C +ATOM 103 O ALA A 23 129.147 61.470 90.450 1.00 99.90 O +ATOM 104 CB ALA A 23 128.988 58.976 88.036 1.00 99.03 C +ATOM 105 N TYR A 24 128.231 59.450 90.806 1.00 99.90 N +ATOM 106 CA TYR A 24 127.350 59.821 91.909 1.00 99.90 C +ATOM 107 C TYR A 24 128.031 60.631 93.026 1.00 99.90 C +ATOM 108 O TYR A 24 127.354 61.303 93.811 1.00 99.90 O +ATOM 109 CB TYR A 24 126.780 58.527 92.493 1.00 99.90 C +ATOM 110 CG TYR A 24 127.778 57.384 92.411 1.00 99.90 C +ATOM 111 CD1 TYR A 24 128.926 57.376 93.208 1.00 99.90 C +ATOM 112 CD2 TYR A 24 127.620 56.357 91.475 1.00 99.90 C +ATOM 113 CE1 TYR A 24 129.888 56.390 93.073 1.00 99.90 C +ATOM 114 CE2 TYR A 24 128.581 55.363 91.334 1.00 99.90 C +ATOM 115 CZ TYR A 24 129.712 55.390 92.136 1.00 99.90 C +ATOM 116 OH TYR A 24 130.673 54.428 92.002 1.00 99.90 O +ATOM 117 N GLY A 25 129.356 60.529 93.119 1.00 99.90 N +ATOM 118 CA GLY A 25 130.082 61.249 94.146 1.00 99.90 C +ATOM 119 C GLY A 25 131.431 60.644 94.474 1.00 99.90 C +ATOM 120 O GLY A 25 132.140 60.142 93.609 1.00 99.90 O +ATOM 121 N LYS A 26 131.786 60.677 95.747 1.00 84.58 N +ATOM 122 CA LYS A 26 133.061 60.143 96.180 1.00 84.58 C +ATOM 123 C LYS A 26 132.895 58.859 96.973 1.00 84.58 C +ATOM 124 O LYS A 26 131.807 58.546 97.465 1.00 84.58 O +ATOM 125 CB LYS A 26 133.808 61.167 97.039 1.00 99.90 C +ATOM 126 CG LYS A 26 134.247 62.442 96.324 1.00 99.90 C +ATOM 127 CD LYS A 26 135.121 63.292 97.261 1.00 99.90 C +ATOM 128 CE LYS A 26 135.611 64.612 96.644 1.00 99.90 C +ATOM 129 NZ LYS A 26 136.508 65.359 97.597 1.00 99.90 N +ATOM 130 N VAL A 27 133.994 58.128 97.101 1.00 38.39 N +ATOM 131 CA VAL A 27 134.015 56.885 97.843 1.00 38.39 C +ATOM 132 C VAL A 27 135.324 56.818 98.580 1.00 38.39 C +ATOM 133 O VAL A 27 136.383 56.956 97.976 1.00 38.39 O +ATOM 134 CB VAL A 27 133.896 55.638 96.937 1.00 37.61 C +ATOM 135 CG1 VAL A 27 134.941 55.662 95.871 1.00 37.61 C +ATOM 136 CG2 VAL A 27 134.053 54.371 97.769 1.00 37.61 C +ATOM 137 N PHE A 28 135.241 56.634 99.891 1.00 27.63 N +ATOM 138 CA PHE A 28 136.417 56.559 100.735 1.00 27.63 C +ATOM 139 C PHE A 28 136.352 55.269 101.433 1.00 27.63 C +ATOM 140 O PHE A 28 135.321 54.570 101.422 1.00 27.63 O +ATOM 141 CB PHE A 28 136.397 57.542 101.891 1.00 48.81 C +ATOM 142 CG PHE A 28 135.853 58.834 101.557 1.00 48.81 C +ATOM 143 CD1 PHE A 28 134.544 58.947 101.127 1.00 48.81 C +ATOM 144 CD2 PHE A 28 136.624 59.963 101.715 1.00 48.81 C +ATOM 145 CE1 PHE A 28 134.008 60.169 100.862 1.00 48.81 C +ATOM 146 CE2 PHE A 28 136.107 61.198 101.457 1.00 48.81 C +ATOM 147 CZ PHE A 28 134.797 61.313 101.030 1.00 48.81 C +ATOM 148 N LYS A 29 137.457 55.033 102.121 1.00 33.01 N +ATOM 149 CA LYS A 29 137.640 53.904 102.970 1.00 33.01 C +ATOM 150 C LYS A 29 137.270 54.566 104.282 1.00 33.01 C +ATOM 151 O LYS A 29 137.445 55.784 104.454 1.00 33.01 O +ATOM 152 CB LYS A 29 139.105 53.490 102.992 1.00 55.73 C +ATOM 153 CG LYS A 29 139.339 52.139 103.652 1.00 55.73 C +ATOM 154 CD LYS A 29 140.790 51.729 103.517 1.00 55.73 C +ATOM 155 CE LYS A 29 141.041 50.325 104.007 1.00 55.73 C +ATOM 156 NZ LYS A 29 142.503 50.117 104.186 1.00 55.73 N +ATOM 157 N ALA A 30 136.702 53.777 105.175 1.00 31.06 N +ATOM 158 CA ALA A 30 136.306 54.263 106.466 1.00 31.06 C +ATOM 159 C ALA A 30 136.277 53.087 107.425 1.00 31.06 C +ATOM 160 O ALA A 30 136.370 51.905 107.023 1.00 31.06 O +ATOM 161 CB ALA A 30 134.963 54.896 106.373 1.00 30.73 C +ATOM 162 N ARG A 31 136.241 53.418 108.706 1.00 58.12 N +ATOM 163 CA ARG A 31 136.203 52.395 109.726 1.00 58.12 C +ATOM 164 C ARG A 31 134.858 52.542 110.331 1.00 58.12 C +ATOM 165 O ARG A 31 134.493 53.628 110.751 1.00 58.12 O +ATOM 166 CB ARG A 31 137.263 52.631 110.783 1.00 48.06 C +ATOM 167 CG ARG A 31 138.573 53.071 110.180 1.00 48.06 C +ATOM 168 CD ARG A 31 139.720 52.924 111.137 1.00 48.06 C +ATOM 169 NE ARG A 31 140.011 51.530 111.427 1.00 48.06 N +ATOM 170 CZ ARG A 31 141.164 50.935 111.140 1.00 48.06 C +ATOM 171 NH1 ARG A 31 142.152 51.605 110.546 1.00 48.06 N +ATOM 172 NH2 ARG A 31 141.331 49.663 111.468 1.00 48.06 N +ATOM 173 N ASP A 32 134.068 51.489 110.239 1.00 43.96 N +ATOM 174 CA ASP A 32 132.733 51.491 110.800 1.00 43.96 C +ATOM 175 C ASP A 32 132.939 51.386 112.297 1.00 43.96 C +ATOM 176 O ASP A 32 133.335 50.335 112.813 1.00 43.96 O +ATOM 177 CB ASP A 32 131.962 50.304 110.241 1.00 58.66 C +ATOM 178 CG ASP A 32 130.807 49.907 111.106 1.00 58.66 C +ATOM 179 OD1 ASP A 32 131.019 49.078 112.003 1.00 58.66 O +ATOM 180 OD2 ASP A 32 129.689 50.400 110.893 1.00 58.66 O +ATOM 181 N LEU A 33 132.722 52.495 112.986 1.00 66.69 N +ATOM 182 CA LEU A 33 132.928 52.519 114.417 1.00 66.69 C +ATOM 183 C LEU A 33 131.935 51.731 115.247 1.00 66.69 C +ATOM 184 O LEU A 33 132.200 51.486 116.428 1.00 66.69 O +ATOM 185 CB LEU A 33 133.030 53.949 114.926 1.00 76.19 C +ATOM 186 CG LEU A 33 134.312 54.644 114.491 1.00 76.19 C +ATOM 187 CD1 LEU A 33 134.383 56.019 115.118 1.00 76.19 C +ATOM 188 CD2 LEU A 33 135.507 53.810 114.897 1.00 76.19 C +ATOM 189 N LYS A 34 130.791 51.359 114.667 1.00 99.90 N +ATOM 190 CA LYS A 34 129.807 50.582 115.420 1.00 99.90 C +ATOM 191 C LYS A 34 130.312 49.150 115.578 1.00 99.90 C +ATOM 192 O LYS A 34 130.038 48.497 116.583 1.00 99.90 O +ATOM 193 CB LYS A 34 128.417 50.604 114.771 1.00 99.90 C +ATOM 194 CG LYS A 34 128.289 49.819 113.474 1.00 99.90 C +ATOM 195 CD LYS A 34 126.829 49.670 113.032 1.00 99.90 C +ATOM 196 CE LYS A 34 126.670 49.602 111.501 1.00 99.90 C +ATOM 197 NZ LYS A 34 127.395 48.483 110.826 1.00 99.90 N +ATOM 198 N ASN A 35 131.030 48.660 114.572 1.00 91.62 N +ATOM 199 CA ASN A 35 131.617 47.323 114.628 1.00 91.62 C +ATOM 200 C ASN A 35 133.081 47.526 114.966 1.00 91.62 C +ATOM 201 O ASN A 35 133.467 48.636 115.310 1.00 91.62 O +ATOM 202 CB ASN A 35 131.433 46.531 113.336 1.00 89.92 C +ATOM 203 CG ASN A 35 130.061 45.887 113.243 1.00 89.92 C +ATOM 204 OD1 ASN A 35 129.046 46.570 113.122 1.00 89.92 O +ATOM 205 ND2 ASN A 35 130.024 44.561 113.321 1.00 89.92 N +ATOM 206 N GLY A 36 133.911 46.503 114.804 1.00 64.87 N +ATOM 207 CA GLY A 36 135.311 46.615 115.203 1.00 64.87 C +ATOM 208 C GLY A 36 136.179 47.771 114.750 1.00 64.87 C +ATOM 209 O GLY A 36 137.383 47.792 115.026 1.00 64.87 O +ATOM 210 N GLY A 37 135.567 48.783 114.155 1.00 64.54 N +ATOM 211 CA GLY A 37 136.345 49.879 113.630 1.00 64.54 C +ATOM 212 C GLY A 37 136.807 49.282 112.322 1.00 64.54 C +ATOM 213 O GLY A 37 137.767 49.748 111.703 1.00 64.54 O +ATOM 214 N ARG A 38 136.111 48.200 111.956 1.00 59.73 N +ATOM 215 CA ARG A 38 136.326 47.437 110.744 1.00 59.73 C +ATOM 216 C ARG A 38 136.329 48.379 109.537 1.00 59.73 C +ATOM 217 O ARG A 38 135.866 49.521 109.610 1.00 59.73 O +ATOM 218 CB ARG A 38 135.227 46.369 110.598 1.00 99.90 C +ATOM 219 CG ARG A 38 133.837 46.839 111.034 1.00 99.90 C +ATOM 220 CD ARG A 38 132.677 46.071 110.366 1.00 99.90 C +ATOM 221 NE ARG A 38 131.602 46.999 109.972 1.00 99.90 N +ATOM 222 CZ ARG A 38 130.342 46.662 109.697 1.00 99.90 C +ATOM 223 NH1 ARG A 38 129.954 45.396 109.770 1.00 99.90 N +ATOM 224 NH2 ARG A 38 129.472 47.596 109.321 1.00 99.90 N +ATOM 225 N PHE A 39 136.894 47.921 108.434 1.00 65.10 N +ATOM 226 CA PHE A 39 136.942 48.748 107.255 1.00 65.10 C +ATOM 227 C PHE A 39 135.689 48.633 106.457 1.00 65.10 C +ATOM 228 O PHE A 39 135.185 47.535 106.214 1.00 65.10 O +ATOM 229 CB PHE A 39 138.125 48.368 106.416 1.00 33.62 C +ATOM 230 CG PHE A 39 139.363 49.001 106.863 1.00 33.62 C +ATOM 231 CD1 PHE A 39 139.331 50.293 107.352 1.00 33.62 C +ATOM 232 CD2 PHE A 39 140.566 48.336 106.764 1.00 33.62 C +ATOM 233 CE1 PHE A 39 140.482 50.919 107.732 1.00 33.62 C +ATOM 234 CE2 PHE A 39 141.720 48.960 107.144 1.00 33.62 C +ATOM 235 CZ PHE A 39 141.683 50.257 107.629 1.00 33.62 C +ATOM 236 N VAL A 40 135.241 49.770 105.959 1.00 41.75 N +ATOM 237 CA VAL A 40 134.006 49.809 105.199 1.00 41.75 C +ATOM 238 C VAL A 40 134.051 50.895 104.110 1.00 41.75 C +ATOM 239 O VAL A 40 134.653 51.964 104.303 1.00 41.75 O +ATOM 240 CB VAL A 40 132.810 50.007 106.182 1.00 43.90 C +ATOM 241 CG1 VAL A 40 132.929 51.331 106.930 1.00 43.90 C +ATOM 242 CG2 VAL A 40 131.510 49.915 105.449 1.00 43.90 C +ATOM 243 N ALA A 41 133.469 50.586 102.952 1.00 35.03 N +ATOM 244 CA ALA A 41 133.443 51.505 101.815 1.00 35.03 C +ATOM 245 C ALA A 41 132.245 52.449 101.923 1.00 35.03 C +ATOM 246 O ALA A 41 131.100 51.987 102.040 1.00 35.03 O +ATOM 247 CB ALA A 41 133.378 50.708 100.493 1.00 62.28 C +ATOM 248 N LEU A 42 132.492 53.760 101.904 1.00 44.84 N +ATOM 249 CA LEU A 42 131.392 54.723 101.989 1.00 44.84 C +ATOM 250 C LEU A 42 131.260 55.391 100.661 1.00 44.84 C +ATOM 251 O LEU A 42 132.268 55.732 100.062 1.00 44.84 O +ATOM 252 CB LEU A 42 131.678 55.843 102.998 1.00 61.74 C +ATOM 253 CG LEU A 42 131.785 55.640 104.506 1.00 61.74 C +ATOM 254 CD1 LEU A 42 131.803 57.012 105.161 1.00 61.74 C +ATOM 255 CD2 LEU A 42 130.616 54.828 105.039 1.00 61.74 C +ATOM 256 N LYS A 43 130.034 55.585 100.200 1.00 52.70 N +ATOM 257 CA LYS A 43 129.795 56.291 98.944 1.00 52.70 C +ATOM 258 C LYS A 43 128.792 57.390 99.319 1.00 52.70 C +ATOM 259 O LYS A 43 127.616 57.117 99.590 1.00 52.70 O +ATOM 260 CB LYS A 43 129.267 55.344 97.854 1.00 99.62 C +ATOM 261 CG LYS A 43 130.381 54.615 97.065 1.00 99.62 C +ATOM 262 CD LYS A 43 129.881 53.445 96.203 1.00 99.62 C +ATOM 263 CE LYS A 43 128.766 53.871 95.246 1.00 99.62 C +ATOM 264 NZ LYS A 43 128.163 52.782 94.398 1.00 99.62 N +ATOM 265 N ARG A 44 129.305 58.603 99.499 1.00 68.25 N +ATOM 266 CA ARG A 44 128.479 59.749 99.866 1.00 68.25 C +ATOM 267 C ARG A 44 127.695 60.253 98.641 1.00 68.25 C +ATOM 268 O ARG A 44 128.295 60.725 97.673 1.00 68.25 O +ATOM 269 CB ARG A 44 129.377 60.862 100.400 1.00 73.70 C +ATOM 270 CG ARG A 44 128.946 61.410 101.739 1.00 73.70 C +ATOM 271 CD ARG A 44 129.903 61.001 102.843 1.00 73.70 C +ATOM 272 NE ARG A 44 131.192 61.687 102.742 1.00 73.70 N +ATOM 273 CZ ARG A 44 132.061 61.785 103.746 1.00 73.70 C +ATOM 274 NH1 ARG A 44 131.767 61.238 104.921 1.00 73.70 N +ATOM 275 NH2 ARG A 44 133.217 62.428 103.584 1.00 73.70 N +ATOM 276 N VAL A 45 126.365 60.147 98.671 1.00 64.85 N +ATOM 277 CA VAL A 45 125.535 60.589 97.539 1.00 64.85 C +ATOM 278 C VAL A 45 124.639 61.784 97.851 1.00 64.85 C +ATOM 279 O VAL A 45 124.370 62.108 98.999 1.00 64.85 O +ATOM 280 CB VAL A 45 124.639 59.437 96.955 1.00 72.49 C +ATOM 281 CG1 VAL A 45 125.488 58.245 96.576 1.00 72.49 C +ATOM 282 CG2 VAL A 45 123.550 59.020 97.930 1.00 72.49 C +ATOM 283 N ARG A 46 124.173 62.434 96.803 1.00 95.31 N +ATOM 284 CA ARG A 46 123.297 63.582 96.931 1.00 95.31 C +ATOM 285 C ARG A 46 122.238 63.310 95.885 1.00 95.31 C +ATOM 286 O ARG A 46 122.510 62.619 94.902 1.00 95.31 O +ATOM 287 CB ARG A 46 124.064 64.868 96.599 1.00 95.31 C +ATOM 288 CG ARG A 46 123.187 66.091 96.357 1.00 95.31 C +ATOM 289 CD ARG A 46 123.947 67.206 95.642 1.00 95.31 C +ATOM 290 NE ARG A 46 123.009 68.127 95.006 1.00 95.31 N +ATOM 291 CZ ARG A 46 122.516 69.218 95.584 1.00 95.31 C +ATOM 292 NH1 ARG A 46 122.883 69.543 96.818 1.00 95.31 N +ATOM 293 NH2 ARG A 46 121.624 69.965 94.946 1.00 95.31 N +ATOM 294 N VAL A 47 121.024 63.795 96.103 1.00 74.34 N +ATOM 295 CA VAL A 47 119.966 63.567 95.127 1.00 74.34 C +ATOM 296 C VAL A 47 119.291 64.851 94.610 1.00 74.34 C +ATOM 297 O VAL A 47 119.943 65.756 94.046 1.00 74.34 O +ATOM 298 CB VAL A 47 118.901 62.518 95.631 1.00 74.34 C +ATOM 299 CG1 VAL A 47 119.446 61.092 95.540 1.00 74.34 C +ATOM 300 CG2 VAL A 47 118.478 62.825 97.041 1.00 74.34 C +ATOM 301 N GLN A 48 117.988 64.931 94.824 1.00 99.90 N +ATOM 302 CA GLN A 48 117.187 66.050 94.374 1.00 99.90 C +ATOM 303 C GLN A 48 115.923 66.106 95.241 1.00 99.90 C +ATOM 304 O GLN A 48 115.973 65.622 96.396 1.00 99.90 O +ATOM 305 CB GLN A 48 116.832 65.851 92.892 1.00 99.90 C +ATOM 306 CG GLN A 48 116.801 64.375 92.416 1.00 99.90 C +ATOM 307 CD GLN A 48 115.932 63.444 93.286 1.00 99.90 C +ATOM 308 OE1 GLN A 48 116.402 62.403 93.763 1.00 99.90 O +ATOM 309 NE2 GLN A 48 114.663 63.807 93.474 1.00 99.90 N +ATOM 310 N GLU A 72 120.516 40.233 97.886 1.00 99.90 N +ATOM 311 CA GLU A 72 121.857 40.490 98.434 1.00 99.90 C +ATOM 312 C GLU A 72 122.999 39.925 97.595 1.00 99.90 C +ATOM 313 O GLU A 72 123.905 40.641 97.181 1.00 99.90 O +ATOM 314 CB GLU A 72 121.948 39.962 99.879 1.00 99.90 C +ATOM 315 CG GLU A 72 123.357 39.856 100.472 1.00 99.90 C +ATOM 316 CD GLU A 72 124.060 38.528 100.177 1.00 99.90 C +ATOM 317 OE1 GLU A 72 123.376 37.494 99.997 1.00 99.90 O +ATOM 318 OE2 GLU A 72 125.312 38.523 100.134 1.00 99.90 O +ATOM 319 N HIS A 73 122.926 38.626 97.352 1.00 74.40 N +ATOM 320 CA HIS A 73 123.914 37.874 96.610 1.00 74.40 C +ATOM 321 C HIS A 73 125.309 37.857 97.210 1.00 74.40 C +ATOM 322 O HIS A 73 125.964 38.878 97.394 1.00 74.40 O +ATOM 323 CB HIS A 73 123.974 38.235 95.142 1.00 70.76 C +ATOM 324 CG HIS A 73 124.609 37.161 94.330 1.00 70.76 C +ATOM 325 ND1 HIS A 73 123.919 36.038 93.933 1.00 70.76 N +ATOM 326 CD2 HIS A 73 125.896 36.963 93.964 1.00 70.76 C +ATOM 327 CE1 HIS A 73 124.755 35.188 93.364 1.00 70.76 C +ATOM 328 NE2 HIS A 73 125.962 35.728 93.370 1.00 70.76 N +ATOM 329 N PRO A 74 125.794 36.653 97.475 1.00 45.16 N +ATOM 330 CA PRO A 74 127.093 36.348 98.057 1.00 45.16 C +ATOM 331 C PRO A 74 128.263 36.969 97.325 1.00 45.16 C +ATOM 332 O PRO A 74 129.265 37.337 97.934 1.00 45.16 O +ATOM 333 CB PRO A 74 127.145 34.829 97.949 1.00 86.42 C +ATOM 334 CG PRO A 74 126.276 34.547 96.731 1.00 86.42 C +ATOM 335 CD PRO A 74 125.118 35.419 97.052 1.00 86.42 C +ATOM 336 N ASN A 75 128.163 37.045 96.009 1.00 66.62 N +ATOM 337 CA ASN A 75 129.262 37.599 95.243 1.00 66.62 C +ATOM 338 C ASN A 75 129.205 39.086 94.993 1.00 66.62 C +ATOM 339 O ASN A 75 129.918 39.615 94.133 1.00 66.62 O +ATOM 340 CB ASN A 75 129.440 36.840 93.942 1.00 53.03 C +ATOM 341 CG ASN A 75 130.035 35.474 94.168 1.00 53.03 C +ATOM 342 OD1 ASN A 75 131.264 35.301 94.222 1.00 53.03 O +ATOM 343 ND2 ASN A 75 129.162 34.491 94.381 1.00 53.03 N +ATOM 344 N VAL A 76 128.358 39.776 95.740 1.00 57.94 N +ATOM 345 CA VAL A 76 128.259 41.211 95.572 1.00 57.94 C +ATOM 346 C VAL A 76 128.575 41.885 96.895 1.00 57.94 C +ATOM 347 O VAL A 76 128.154 41.420 97.970 1.00 57.94 O +ATOM 348 CB VAL A 76 126.875 41.631 95.019 1.00 47.50 C +ATOM 349 CG1 VAL A 76 126.638 43.112 95.255 1.00 47.50 C +ATOM 350 CG2 VAL A 76 126.799 41.330 93.503 1.00 47.50 C +ATOM 351 N VAL A 77 129.413 42.913 96.811 1.00 48.66 N +ATOM 352 CA VAL A 77 129.814 43.676 97.980 1.00 48.66 C +ATOM 353 C VAL A 77 128.508 44.216 98.632 1.00 48.66 C +ATOM 354 O VAL A 77 127.748 44.948 97.996 1.00 48.66 O +ATOM 355 CB VAL A 77 130.830 44.794 97.544 1.00 22.07 C +ATOM 356 CG1 VAL A 77 130.132 46.027 97.032 1.00 22.07 C +ATOM 357 CG2 VAL A 77 131.812 45.103 98.649 1.00 22.07 C +ATOM 358 N ARG A 78 128.187 43.722 99.833 1.00 52.51 N +ATOM 359 CA ARG A 78 126.976 44.114 100.581 1.00 52.51 C +ATOM 360 C ARG A 78 126.835 45.606 100.927 1.00 52.51 C +ATOM 361 O ARG A 78 127.834 46.308 101.070 1.00 52.51 O +ATOM 362 CB ARG A 78 126.887 43.316 101.884 1.00 99.90 C +ATOM 363 CG ARG A 78 126.140 42.001 101.785 1.00 99.90 C +ATOM 364 CD ARG A 78 125.677 41.554 103.173 1.00 99.90 C +ATOM 365 NE ARG A 78 125.096 42.661 103.951 1.00 99.90 N +ATOM 366 CZ ARG A 78 123.796 42.835 104.215 1.00 99.90 C +ATOM 367 NH1 ARG A 78 122.879 41.983 103.760 1.00 99.90 N +ATOM 368 NH2 ARG A 78 123.408 43.884 104.938 1.00 99.90 N +ATOM 369 N LEU A 79 125.598 46.088 101.072 1.00 58.16 N +ATOM 370 CA LEU A 79 125.375 47.483 101.442 1.00 58.16 C +ATOM 371 C LEU A 79 125.010 47.580 102.928 1.00 58.16 C +ATOM 372 O LEU A 79 123.845 47.568 103.293 1.00 58.16 O +ATOM 373 CB LEU A 79 124.303 48.133 100.555 1.00 35.37 C +ATOM 374 CG LEU A 79 123.788 49.564 100.870 1.00 35.37 C +ATOM 375 CD1 LEU A 79 124.904 50.483 101.372 1.00 35.37 C +ATOM 376 CD2 LEU A 79 123.134 50.191 99.628 1.00 35.37 C +ATOM 377 N PHE A 80 126.027 47.718 103.771 1.00 82.07 N +ATOM 378 CA PHE A 80 125.838 47.809 105.204 1.00 82.07 C +ATOM 379 C PHE A 80 124.871 48.837 105.698 1.00 82.07 C +ATOM 380 O PHE A 80 124.309 48.634 106.758 1.00 82.07 O +ATOM 381 CB PHE A 80 127.156 48.037 105.920 1.00 99.90 C +ATOM 382 CG PHE A 80 127.901 46.791 106.178 1.00 99.90 C +ATOM 383 CD1 PHE A 80 127.260 45.564 106.099 1.00 99.90 C +ATOM 384 CD2 PHE A 80 129.246 46.827 106.486 1.00 99.90 C +ATOM 385 CE1 PHE A 80 127.953 44.386 106.324 1.00 99.90 C +ATOM 386 CE2 PHE A 80 129.951 45.655 106.713 1.00 99.90 C +ATOM 387 CZ PHE A 80 129.303 44.430 106.633 1.00 99.90 C +ATOM 388 N ASP A 81 124.701 49.952 104.991 1.00 48.27 N +ATOM 389 CA ASP A 81 123.774 50.993 105.457 1.00 48.27 C +ATOM 390 C ASP A 81 123.651 52.194 104.528 1.00 48.27 C +ATOM 391 O ASP A 81 124.517 52.447 103.685 1.00 48.27 O +ATOM 392 CB ASP A 81 124.186 51.466 106.877 1.00 93.34 C +ATOM 393 CG ASP A 81 123.355 52.651 107.405 1.00 93.34 C +ATOM 394 OD1 ASP A 81 122.168 52.469 107.770 1.00 93.34 O +ATOM 395 OD2 ASP A 81 123.914 53.768 107.491 1.00 93.34 O +ATOM 396 N VAL A 82 122.529 52.895 104.660 1.00 45.71 N +ATOM 397 CA VAL A 82 122.259 54.106 103.895 1.00 45.71 C +ATOM 398 C VAL A 82 122.027 55.170 104.950 1.00 45.71 C +ATOM 399 O VAL A 82 120.964 55.222 105.568 1.00 45.71 O +ATOM 400 CB VAL A 82 120.983 54.002 103.035 1.00 51.21 C +ATOM 401 CG1 VAL A 82 120.630 55.374 102.462 1.00 51.21 C +ATOM 402 CG2 VAL A 82 121.187 52.998 101.905 1.00 51.21 C +ATOM 403 N CYS A 83 123.050 55.971 105.205 1.00 71.85 N +ATOM 404 CA CYS A 83 122.959 57.020 106.201 1.00 71.85 C +ATOM 405 C CYS A 83 122.466 58.310 105.529 1.00 71.85 C +ATOM 406 O CYS A 83 123.056 58.770 104.543 1.00 71.85 O +ATOM 407 CB CYS A 83 124.331 57.203 106.836 1.00 74.68 C +ATOM 408 SG CYS A 83 124.258 57.812 108.507 1.00 74.68 S +ATOM 409 N THR A 84 121.350 58.853 106.010 1.00 33.81 N +ATOM 410 CA THR A 84 120.809 60.071 105.426 1.00 33.81 C +ATOM 411 C THR A 84 121.447 61.269 106.075 1.00 33.81 C +ATOM 412 O THR A 84 121.222 61.523 107.248 1.00 33.81 O +ATOM 413 CB THR A 84 119.306 60.169 105.605 1.00 60.42 C +ATOM 414 OG1 THR A 84 118.673 59.081 104.924 1.00 60.42 O +ATOM 415 CG2 THR A 84 118.809 61.478 105.026 1.00 60.42 C +ATOM 416 N VAL A 85 122.235 62.006 105.304 1.00 33.54 N +ATOM 417 CA VAL A 85 122.946 63.184 105.795 1.00 33.54 C +ATOM 418 C VAL A 85 122.133 64.462 105.920 1.00 33.54 C +ATOM 419 O VAL A 85 122.376 65.244 106.828 1.00 33.54 O +ATOM 420 CB VAL A 85 124.166 63.479 104.910 1.00 99.63 C +ATOM 421 CG1 VAL A 85 124.891 64.723 105.385 1.00 99.63 C +ATOM 422 CG2 VAL A 85 125.097 62.285 104.888 1.00 99.63 C +ATOM 423 N SER A 86 121.212 64.707 104.998 1.00 57.65 N +ATOM 424 CA SER A 86 120.433 65.929 105.081 1.00 57.65 C +ATOM 425 C SER A 86 119.246 66.005 104.134 1.00 57.65 C +ATOM 426 O SER A 86 119.427 66.095 102.922 1.00 57.65 O +ATOM 427 CB SER A 86 121.343 67.122 104.823 1.00 52.55 C +ATOM 428 OG SER A 86 121.899 67.060 103.522 1.00 52.55 O +ATOM 429 N ARG A 87 118.040 65.966 104.696 1.00 99.90 N +ATOM 430 CA ARG A 87 116.801 66.065 103.924 1.00 99.90 C +ATOM 431 C ARG A 87 116.580 67.557 103.741 1.00 99.90 C +ATOM 432 O ARG A 87 116.632 68.306 104.715 1.00 99.90 O +ATOM 433 CB ARG A 87 115.633 65.450 104.711 1.00 99.90 C +ATOM 434 CG ARG A 87 114.251 65.585 104.067 1.00 99.90 C +ATOM 435 CD ARG A 87 114.096 64.766 102.782 1.00 99.90 C +ATOM 436 NE ARG A 87 114.855 65.310 101.652 1.00 99.90 N +ATOM 437 CZ ARG A 87 114.350 65.563 100.443 1.00 99.90 C +ATOM 438 NH1 ARG A 87 113.070 65.319 100.178 1.00 99.90 N +ATOM 439 NH2 ARG A 87 115.131 66.068 99.492 1.00 99.90 N +ATOM 440 N THR A 88 116.377 68.001 102.504 1.00 99.90 N +ATOM 441 CA THR A 88 116.182 69.426 102.244 1.00 99.90 C +ATOM 442 C THR A 88 115.104 69.722 101.208 1.00 99.90 C +ATOM 443 O THR A 88 114.330 68.843 100.814 1.00 99.90 O +ATOM 444 CB THR A 88 117.470 70.087 101.702 1.00 99.90 C +ATOM 445 OG1 THR A 88 117.457 70.050 100.265 1.00 99.90 O +ATOM 446 CG2 THR A 88 118.710 69.372 102.215 1.00 99.90 C +ATOM 447 N ASP A 89 115.069 70.988 100.783 1.00 99.90 N +ATOM 448 CA ASP A 89 114.153 71.456 99.758 1.00 99.90 C +ATOM 449 C ASP A 89 114.772 70.955 98.469 1.00 99.90 C +ATOM 450 O ASP A 89 115.547 71.651 97.811 1.00 99.90 O +ATOM 451 CB ASP A 89 114.058 72.992 99.752 1.00 99.90 C +ATOM 452 CG ASP A 89 112.814 73.518 100.476 1.00 99.90 C +ATOM 453 OD1 ASP A 89 112.121 72.728 101.154 1.00 99.90 O +ATOM 454 OD2 ASP A 89 112.525 74.732 100.357 1.00 99.90 O +ATOM 455 N ARG A 90 114.499 69.688 98.200 1.00 99.90 N +ATOM 456 CA ARG A 90 114.983 69.005 97.023 1.00 99.90 C +ATOM 457 C ARG A 90 116.504 68.987 96.927 1.00 99.90 C +ATOM 458 O ARG A 90 117.145 69.954 96.512 1.00 99.90 O +ATOM 459 CB ARG A 90 114.303 69.547 95.757 1.00 99.90 C +ATOM 460 CG ARG A 90 112.764 69.340 95.743 1.00 99.90 C +ATOM 461 CD ARG A 90 112.347 67.857 95.873 1.00 99.90 C +ATOM 462 NE ARG A 90 110.953 67.673 96.292 1.00 99.90 N +ATOM 463 CZ ARG A 90 110.505 66.632 96.996 1.00 99.90 C +ATOM 464 NH1 ARG A 90 111.332 65.660 97.362 1.00 99.90 N +ATOM 465 NH2 ARG A 90 109.238 66.585 97.381 1.00 99.90 N +ATOM 466 N GLU A 91 117.033 67.876 97.430 1.00 74.06 N +ATOM 467 CA GLU A 91 118.447 67.487 97.485 1.00 74.06 C +ATOM 468 C GLU A 91 118.611 66.768 98.814 1.00 74.06 C +ATOM 469 O GLU A 91 118.101 67.226 99.831 1.00 74.06 O +ATOM 470 CB GLU A 91 119.425 68.668 97.349 1.00 99.90 C +ATOM 471 CG GLU A 91 119.829 69.374 98.638 1.00 99.90 C +ATOM 472 CD GLU A 91 121.155 68.881 99.231 1.00 99.90 C +ATOM 473 OE1 GLU A 91 121.240 67.704 99.655 1.00 99.90 O +ATOM 474 OE2 GLU A 91 122.109 69.692 99.300 1.00 99.90 O +ATOM 475 N THR A 92 119.288 65.627 98.809 1.00 46.60 N +ATOM 476 CA THR A 92 119.463 64.873 100.050 1.00 46.60 C +ATOM 477 C THR A 92 120.805 64.162 100.201 1.00 46.60 C +ATOM 478 O THR A 92 121.017 63.087 99.618 1.00 46.60 O +ATOM 479 CB THR A 92 118.398 63.786 100.186 1.00 64.72 C +ATOM 480 OG1 THR A 92 117.112 64.320 99.852 1.00 64.72 O +ATOM 481 CG2 THR A 92 118.384 63.243 101.597 1.00 64.72 C +ATOM 482 N LYS A 93 121.693 64.713 101.020 1.00 68.75 N +ATOM 483 CA LYS A 93 122.986 64.078 101.213 1.00 68.75 C +ATOM 484 C LYS A 93 122.755 62.739 101.938 1.00 68.75 C +ATOM 485 O LYS A 93 122.021 62.688 102.922 1.00 68.75 O +ATOM 486 CB LYS A 93 123.898 64.994 102.028 1.00 70.35 C +ATOM 487 CG LYS A 93 123.861 66.449 101.592 1.00 70.35 C +ATOM 488 CD LYS A 93 124.969 66.803 100.625 1.00 70.35 C +ATOM 489 CE LYS A 93 124.854 68.258 100.189 1.00 70.35 C +ATOM 490 NZ LYS A 93 124.864 69.248 101.310 1.00 70.35 N +ATOM 491 N LEU A 94 123.277 61.654 101.373 1.00 56.41 N +ATOM 492 CA LEU A 94 123.185 60.317 101.951 1.00 56.41 C +ATOM 493 C LEU A 94 124.607 59.835 102.158 1.00 56.41 C +ATOM 494 O LEU A 94 125.559 60.590 101.982 1.00 56.41 O +ATOM 495 CB LEU A 94 122.519 59.358 100.991 1.00 26.80 C +ATOM 496 CG LEU A 94 121.109 59.736 100.586 1.00 26.80 C +ATOM 497 CD1 LEU A 94 120.368 58.551 99.914 1.00 26.80 C +ATOM 498 CD2 LEU A 94 120.403 60.143 101.843 1.00 26.80 C +ATOM 499 N THR A 95 124.770 58.575 102.523 1.00 31.40 N +ATOM 500 CA THR A 95 126.105 58.029 102.717 1.00 31.40 C +ATOM 501 C THR A 95 125.912 56.546 102.726 1.00 31.40 C +ATOM 502 O THR A 95 125.622 55.955 103.752 1.00 31.40 O +ATOM 503 CB THR A 95 126.748 58.492 104.067 1.00 22.25 C +ATOM 504 OG1 THR A 95 127.119 59.871 103.980 1.00 22.25 O +ATOM 505 CG2 THR A 95 128.005 57.710 104.381 1.00 22.25 C +ATOM 506 N LEU A 96 125.981 55.939 101.566 1.00 60.28 N +ATOM 507 CA LEU A 96 125.797 54.514 101.542 1.00 60.28 C +ATOM 508 C LEU A 96 127.064 53.937 102.154 1.00 60.28 C +ATOM 509 O LEU A 96 128.150 54.513 102.059 1.00 60.28 O +ATOM 510 CB LEU A 96 125.556 54.047 100.120 1.00 24.28 C +ATOM 511 CG LEU A 96 124.752 55.070 99.315 1.00 24.28 C +ATOM 512 CD1 LEU A 96 124.611 54.662 97.861 1.00 24.28 C +ATOM 513 CD2 LEU A 96 123.394 55.226 99.962 1.00 24.28 C +ATOM 514 N VAL A 97 126.912 52.808 102.810 1.00 43.71 N +ATOM 515 CA VAL A 97 128.013 52.186 103.497 1.00 43.71 C +ATOM 516 C VAL A 97 128.088 50.741 103.077 1.00 43.71 C +ATOM 517 O VAL A 97 127.330 49.911 103.569 1.00 43.71 O +ATOM 518 CB VAL A 97 127.747 52.261 104.990 1.00 30.88 C +ATOM 519 CG1 VAL A 97 128.888 51.702 105.784 1.00 30.88 C +ATOM 520 CG2 VAL A 97 127.457 53.685 105.360 1.00 30.88 C +ATOM 521 N PHE A 98 129.011 50.447 102.173 1.00 38.75 N +ATOM 522 CA PHE A 98 129.209 49.107 101.634 1.00 38.75 C +ATOM 523 C PHE A 98 130.324 48.324 102.264 1.00 38.75 C +ATOM 524 O PHE A 98 131.365 48.883 102.610 1.00 38.75 O +ATOM 525 CB PHE A 98 129.495 49.211 100.163 1.00 36.51 C +ATOM 526 CG PHE A 98 128.535 50.062 99.453 1.00 36.51 C +ATOM 527 CD1 PHE A 98 128.612 51.440 99.566 1.00 36.51 C +ATOM 528 CD2 PHE A 98 127.527 49.490 98.682 1.00 36.51 C +ATOM 529 CE1 PHE A 98 127.698 52.249 98.922 1.00 36.51 C +ATOM 530 CE2 PHE A 98 126.595 50.287 98.023 1.00 36.51 C +ATOM 531 CZ PHE A 98 126.677 51.676 98.142 1.00 36.51 C +ATOM 532 N GLU A 99 130.158 47.005 102.266 1.00 51.62 N +ATOM 533 CA GLU A 99 131.142 46.112 102.857 1.00 51.62 C +ATOM 534 C GLU A 99 132.491 46.212 102.190 1.00 51.62 C +ATOM 535 O GLU A 99 132.640 46.623 101.035 1.00 51.62 O +ATOM 536 CB GLU A 99 130.659 44.659 102.878 1.00 83.55 C +ATOM 537 CG GLU A 99 130.799 43.905 101.587 1.00 83.55 C +ATOM 538 CD GLU A 99 130.645 42.425 101.798 1.00 83.55 C +ATOM 539 OE1 GLU A 99 131.510 41.843 102.482 1.00 83.55 O +ATOM 540 OE2 GLU A 99 129.662 41.839 101.306 1.00 83.55 O +ATOM 541 N HIS A 100 133.505 45.832 102.917 1.00 65.42 N +ATOM 542 CA HIS A 100 134.747 45.958 102.284 1.00 65.42 C +ATOM 543 C HIS A 100 135.699 44.837 102.416 1.00 65.42 C +ATOM 544 O HIS A 100 136.034 44.404 103.505 1.00 65.42 O +ATOM 545 CB HIS A 100 135.410 47.207 102.706 1.00 65.13 C +ATOM 546 CG HIS A 100 136.579 47.503 101.862 1.00 65.13 C +ATOM 547 ND1 HIS A 100 136.445 47.777 100.524 1.00 65.13 N +ATOM 548 CD2 HIS A 100 137.905 47.475 102.125 1.00 65.13 C +ATOM 549 CE1 HIS A 100 137.645 47.910 99.990 1.00 65.13 C +ATOM 550 NE2 HIS A 100 138.548 47.732 100.940 1.00 65.13 N +ATOM 551 N VAL A 101 136.248 44.469 101.281 1.00 35.97 N +ATOM 552 CA VAL A 101 137.205 43.389 101.211 1.00 35.97 C +ATOM 553 C VAL A 101 138.506 44.063 100.819 1.00 35.97 C +ATOM 554 O VAL A 101 138.649 44.508 99.683 1.00 35.97 O +ATOM 555 CB VAL A 101 136.776 42.412 100.114 1.00 28.55 C +ATOM 556 CG1 VAL A 101 137.834 41.311 99.918 1.00 28.55 C +ATOM 557 CG2 VAL A 101 135.374 41.848 100.432 1.00 28.55 C +ATOM 558 N ASP A 102 139.453 44.147 101.741 1.00 37.97 N +ATOM 559 CA ASP A 102 140.703 44.843 101.451 1.00 37.97 C +ATOM 560 C ASP A 102 141.766 44.164 100.559 1.00 37.97 C +ATOM 561 O ASP A 102 142.886 43.932 100.989 1.00 37.97 O +ATOM 562 CB ASP A 102 141.311 45.345 102.761 1.00 62.66 C +ATOM 563 CG ASP A 102 142.036 46.656 102.598 1.00 62.66 C +ATOM 564 OD1 ASP A 102 141.610 47.493 101.767 1.00 62.66 O +ATOM 565 OD2 ASP A 102 143.033 46.855 103.315 1.00 62.66 O +ATOM 566 N GLN A 103 141.419 43.904 99.302 1.00 23.39 N +ATOM 567 CA GLN A 103 142.332 43.285 98.335 1.00 23.39 C +ATOM 568 C GLN A 103 141.603 43.008 97.005 1.00 23.39 C +ATOM 569 O GLN A 103 140.587 42.264 96.937 1.00 23.39 O +ATOM 570 CB GLN A 103 142.973 42.005 98.907 1.00 45.18 C +ATOM 571 CG GLN A 103 142.631 40.722 98.179 1.00 45.18 C +ATOM 572 CD GLN A 103 143.804 40.114 97.489 1.00 45.18 C +ATOM 573 OE1 GLN A 103 144.556 40.793 96.789 1.00 45.18 O +ATOM 574 NE2 GLN A 103 143.984 38.819 97.685 1.00 45.18 N +ATOM 575 N ASP A 104 142.087 43.648 95.947 1.00 32.26 N +ATOM 576 CA ASP A 104 141.473 43.454 94.643 1.00 32.26 C +ATOM 577 C ASP A 104 142.067 42.252 93.896 1.00 32.26 C +ATOM 578 O ASP A 104 143.158 41.762 94.243 1.00 32.26 O +ATOM 579 CB ASP A 104 141.566 44.741 93.791 1.00 70.79 C +ATOM 580 CG ASP A 104 142.978 45.344 93.729 1.00 70.79 C +ATOM 581 OD1 ASP A 104 143.925 44.826 94.358 1.00 70.79 O +ATOM 582 OD2 ASP A 104 143.127 46.377 93.041 1.00 70.79 O +ATOM 583 N LEU A 105 141.335 41.754 92.897 1.00 49.17 N +ATOM 584 CA LEU A 105 141.834 40.643 92.077 1.00 49.17 C +ATOM 585 C LEU A 105 143.180 41.044 91.455 1.00 49.17 C +ATOM 586 O LEU A 105 143.986 40.187 91.074 1.00 49.17 O +ATOM 587 CB LEU A 105 140.841 40.269 90.962 1.00 24.51 C +ATOM 588 CG LEU A 105 141.270 39.189 89.939 1.00 24.51 C +ATOM 589 CD1 LEU A 105 141.455 37.773 90.548 1.00 24.51 C +ATOM 590 CD2 LEU A 105 140.204 39.135 88.874 1.00 24.51 C +ATOM 591 N THR A 106 143.392 42.352 91.320 1.00 41.60 N +ATOM 592 CA THR A 106 144.639 42.859 90.790 1.00 41.60 C +ATOM 593 C THR A 106 145.739 42.474 91.778 1.00 41.60 C +ATOM 594 O THR A 106 146.620 41.710 91.402 1.00 41.60 O +ATOM 595 CB THR A 106 144.580 44.384 90.493 1.00 56.29 C +ATOM 596 OG1 THR A 106 143.860 44.613 89.267 1.00 56.29 O +ATOM 597 CG2 THR A 106 145.967 44.955 90.347 1.00 56.29 C +ATOM 598 N THR A 107 145.661 42.888 93.048 1.00 23.19 N +ATOM 599 CA THR A 107 146.727 42.490 93.988 1.00 23.19 C +ATOM 600 C THR A 107 146.698 40.997 94.207 1.00 23.19 C +ATOM 601 O THR A 107 147.723 40.403 94.513 1.00 23.19 O +ATOM 602 CB THR A 107 146.701 43.227 95.347 1.00 30.41 C +ATOM 603 OG1 THR A 107 145.362 43.287 95.857 1.00 30.41 O +ATOM 604 CG2 THR A 107 147.301 44.620 95.196 1.00 30.41 C +ATOM 605 N TYR A 108 145.529 40.397 93.999 1.00 42.11 N +ATOM 606 CA TYR A 108 145.390 38.970 94.148 1.00 42.11 C +ATOM 607 C TYR A 108 146.318 38.357 93.154 1.00 42.11 C +ATOM 608 O TYR A 108 147.283 37.731 93.535 1.00 42.11 O +ATOM 609 CB TYR A 108 143.994 38.471 93.831 1.00 47.51 C +ATOM 610 CG TYR A 108 143.950 36.976 93.945 1.00 47.51 C +ATOM 611 CD1 TYR A 108 144.014 36.373 95.188 1.00 47.51 C +ATOM 612 CD2 TYR A 108 143.984 36.161 92.818 1.00 47.51 C +ATOM 613 CE1 TYR A 108 144.125 35.000 95.323 1.00 47.51 C +ATOM 614 CE2 TYR A 108 144.101 34.770 92.939 1.00 47.51 C +ATOM 615 CZ TYR A 108 144.179 34.200 94.205 1.00 47.51 C +ATOM 616 OH TYR A 108 144.372 32.849 94.384 1.00 47.51 O +ATOM 617 N LEU A 109 146.029 38.557 91.875 1.00 43.50 N +ATOM 618 CA LEU A 109 146.853 38.012 90.804 1.00 43.50 C +ATOM 619 C LEU A 109 148.326 38.445 90.922 1.00 43.50 C +ATOM 620 O LEU A 109 149.238 37.659 90.653 1.00 43.50 O +ATOM 621 CB LEU A 109 146.263 38.395 89.450 1.00 35.96 C +ATOM 622 CG LEU A 109 144.836 37.861 89.311 1.00 35.96 C +ATOM 623 CD1 LEU A 109 144.177 38.471 88.116 1.00 35.96 C +ATOM 624 CD2 LEU A 109 144.822 36.342 89.214 1.00 35.96 C +ATOM 625 N ASP A 110 148.556 39.670 91.380 1.00 38.23 N +ATOM 626 CA ASP A 110 149.906 40.210 91.557 1.00 38.23 C +ATOM 627 C ASP A 110 150.684 39.379 92.589 1.00 38.23 C +ATOM 628 O ASP A 110 151.855 39.065 92.403 1.00 38.23 O +ATOM 629 CB ASP A 110 149.776 41.679 92.021 1.00 98.08 C +ATOM 630 CG ASP A 110 151.022 42.218 92.699 1.00 98.08 C +ATOM 631 OD1 ASP A 110 152.100 42.157 92.079 1.00 98.08 O +ATOM 632 OD2 ASP A 110 150.907 42.727 93.844 1.00 98.08 O +ATOM 633 N LYS A 111 149.968 38.960 93.625 1.00 57.21 N +ATOM 634 CA LYS A 111 150.487 38.219 94.771 1.00 57.21 C +ATOM 635 C LYS A 111 150.913 36.738 94.645 1.00 57.21 C +ATOM 636 O LYS A 111 151.944 36.338 95.181 1.00 57.21 O +ATOM 637 CB LYS A 111 149.436 38.349 95.874 1.00 99.90 C +ATOM 638 CG LYS A 111 149.940 38.370 97.292 1.00 99.90 C +ATOM 639 CD LYS A 111 148.756 38.453 98.263 1.00 99.90 C +ATOM 640 CE LYS A 111 147.794 37.277 98.071 1.00 99.90 C +ATOM 641 NZ LYS A 111 148.511 35.957 98.137 1.00 99.90 N +ATOM 642 N VAL A 112 150.082 35.919 94.017 1.00 58.48 N +ATOM 643 CA VAL A 112 150.325 34.479 93.865 1.00 58.48 C +ATOM 644 C VAL A 112 151.757 34.024 93.556 1.00 58.48 C +ATOM 645 O VAL A 112 152.479 34.710 92.813 1.00 58.48 O +ATOM 646 CB VAL A 112 149.382 33.898 92.768 1.00 86.94 C +ATOM 647 CG1 VAL A 112 149.770 32.468 92.397 1.00 86.94 C +ATOM 648 CG2 VAL A 112 147.935 33.931 93.249 1.00 86.94 C +ATOM 649 N PRO A 113 152.186 32.860 94.128 1.00 42.92 N +ATOM 650 CA PRO A 113 153.522 32.245 93.946 1.00 42.92 C +ATOM 651 C PRO A 113 153.754 31.928 92.450 1.00 42.92 C +ATOM 652 O PRO A 113 152.890 31.297 91.817 1.00 42.92 O +ATOM 653 CB PRO A 113 153.425 30.969 94.789 1.00 99.90 C +ATOM 654 CG PRO A 113 151.929 30.681 94.816 1.00 99.90 C +ATOM 655 CD PRO A 113 151.387 32.054 95.068 1.00 99.90 C +ATOM 656 N GLU A 114 154.952 32.278 91.945 1.00 54.75 N +ATOM 657 CA GLU A 114 155.372 32.172 90.516 1.00 54.75 C +ATOM 658 C GLU A 114 154.772 31.290 89.415 1.00 54.75 C +ATOM 659 O GLU A 114 154.795 31.690 88.241 1.00 54.75 O +ATOM 660 CB GLU A 114 156.894 32.212 90.346 1.00 99.90 C +ATOM 661 CG GLU A 114 157.331 32.501 88.879 1.00 99.90 C +ATOM 662 CD GLU A 114 156.650 33.734 88.256 1.00 99.90 C +ATOM 663 OE1 GLU A 114 156.745 34.828 88.845 1.00 99.90 O +ATOM 664 OE2 GLU A 114 156.017 33.612 87.178 1.00 99.90 O +ATOM 665 N PRO A 115 154.351 30.052 89.719 1.00 55.81 N +ATOM 666 CA PRO A 115 153.773 29.315 88.576 1.00 55.81 C +ATOM 667 C PRO A 115 152.521 30.056 88.049 1.00 55.81 C +ATOM 668 O PRO A 115 152.319 30.215 86.830 1.00 55.81 O +ATOM 669 CB PRO A 115 153.412 27.954 89.177 1.00 45.06 C +ATOM 670 CG PRO A 115 153.367 28.233 90.705 1.00 45.06 C +ATOM 671 CD PRO A 115 154.514 29.182 90.894 1.00 45.06 C +ATOM 672 N GLY A 116 151.737 30.575 88.991 1.00 90.84 N +ATOM 673 CA GLY A 116 150.534 31.306 88.666 1.00 90.84 C +ATOM 674 C GLY A 116 149.438 30.911 89.624 1.00 90.84 C +ATOM 675 O GLY A 116 149.649 30.180 90.600 1.00 90.84 O +ATOM 676 N VAL A 117 148.266 31.463 89.386 1.00 41.73 N +ATOM 677 CA VAL A 117 147.116 31.146 90.201 1.00 41.73 C +ATOM 678 C VAL A 117 146.755 29.689 89.928 1.00 41.73 C +ATOM 679 O VAL A 117 146.856 29.222 88.795 1.00 41.73 O +ATOM 680 CB VAL A 117 145.942 32.047 89.814 1.00 45.10 C +ATOM 681 CG1 VAL A 117 145.866 32.199 88.300 1.00 45.10 C +ATOM 682 CG2 VAL A 117 144.665 31.468 90.327 1.00 45.10 C +ATOM 683 N PRO A 118 146.437 28.924 90.967 1.00 39.29 N +ATOM 684 CA PRO A 118 146.080 27.526 90.697 1.00 39.29 C +ATOM 685 C PRO A 118 144.838 27.399 89.765 1.00 39.29 C +ATOM 686 O PRO A 118 143.937 28.249 89.822 1.00 39.29 O +ATOM 687 CB PRO A 118 145.809 26.989 92.098 1.00 99.90 C +ATOM 688 CG PRO A 118 146.810 27.750 92.929 1.00 99.90 C +ATOM 689 CD PRO A 118 146.646 29.153 92.406 1.00 99.90 C +ATOM 690 N THR A 119 144.777 26.351 88.929 1.00 62.90 N +ATOM 691 CA THR A 119 143.643 26.151 87.994 1.00 62.90 C +ATOM 692 C THR A 119 142.261 25.942 88.628 1.00 62.90 C +ATOM 693 O THR A 119 141.269 26.497 88.140 1.00 62.90 O +ATOM 694 CB THR A 119 143.884 24.983 87.038 1.00 85.33 C +ATOM 695 OG1 THR A 119 145.245 25.011 86.596 1.00 85.33 O +ATOM 696 CG2 THR A 119 142.943 25.089 85.836 1.00 85.33 C +ATOM 697 N GLU A 120 142.195 25.084 89.654 1.00 99.90 N +ATOM 698 CA GLU A 120 140.951 24.801 90.391 1.00 99.90 C +ATOM 699 C GLU A 120 140.330 26.152 90.737 1.00 99.90 C +ATOM 700 O GLU A 120 139.219 26.479 90.311 1.00 99.90 O +ATOM 701 CB GLU A 120 141.244 24.060 91.730 1.00 99.90 C +ATOM 702 CG GLU A 120 140.045 24.006 92.750 1.00 99.90 C +ATOM 703 CD GLU A 120 140.445 23.882 94.244 1.00 99.90 C +ATOM 704 OE1 GLU A 120 140.925 24.877 94.838 1.00 99.90 O +ATOM 705 OE2 GLU A 120 140.225 22.805 94.840 1.00 99.90 O +ATOM 706 N THR A 121 141.105 26.953 91.463 1.00 67.49 N +ATOM 707 CA THR A 121 140.666 28.259 91.917 1.00 67.49 C +ATOM 708 C THR A 121 140.071 29.163 90.829 1.00 67.49 C +ATOM 709 O THR A 121 138.978 29.709 91.036 1.00 67.49 O +ATOM 710 CB THR A 121 141.771 28.971 92.783 1.00 99.90 C +ATOM 711 OG1 THR A 121 143.072 28.726 92.228 1.00 99.90 O +ATOM 712 CG2 THR A 121 141.738 28.448 94.237 1.00 99.90 C +ATOM 713 N ILE A 122 140.721 29.259 89.661 1.00 59.59 N +ATOM 714 CA ILE A 122 140.188 30.106 88.591 1.00 59.59 C +ATOM 715 C ILE A 122 138.740 29.722 88.329 1.00 59.59 C +ATOM 716 O ILE A 122 137.842 30.525 88.562 1.00 59.59 O +ATOM 717 CB ILE A 122 141.001 30.019 87.287 1.00 45.90 C +ATOM 718 CG1 ILE A 122 142.342 30.707 87.473 1.00 45.90 C +ATOM 719 CG2 ILE A 122 140.278 30.731 86.155 1.00 45.90 C +ATOM 720 CD1 ILE A 122 143.038 30.995 86.169 1.00 45.90 C +ATOM 721 N LYS A 123 138.510 28.465 87.965 1.00 73.32 N +ATOM 722 CA LYS A 123 137.161 27.984 87.706 1.00 73.32 C +ATOM 723 C LYS A 123 136.219 28.512 88.794 1.00 73.32 C +ATOM 724 O LYS A 123 135.159 29.035 88.491 1.00 73.32 O +ATOM 725 CB LYS A 123 137.162 26.455 87.669 1.00 96.56 C +ATOM 726 CG LYS A 123 136.225 25.820 86.657 1.00 96.56 C +ATOM 727 CD LYS A 123 136.513 24.330 86.523 1.00 96.56 C +ATOM 728 CE LYS A 123 137.957 24.053 86.078 1.00 96.56 C +ATOM 729 NZ LYS A 123 138.311 22.595 86.110 1.00 96.56 N +ATOM 730 N ASP A 124 136.673 28.491 90.044 1.00 66.87 N +ATOM 731 CA ASP A 124 135.852 28.972 91.143 1.00 66.87 C +ATOM 732 C ASP A 124 135.686 30.469 91.094 1.00 66.87 C +ATOM 733 O ASP A 124 134.572 30.952 91.013 1.00 66.87 O +ATOM 734 CB ASP A 124 136.417 28.570 92.501 1.00 72.50 C +ATOM 735 CG ASP A 124 135.472 28.908 93.646 1.00 72.50 C +ATOM 736 OD1 ASP A 124 134.233 28.798 93.500 1.00 72.50 O +ATOM 737 OD2 ASP A 124 135.971 29.294 94.711 1.00 72.50 O +ATOM 738 N MET A 125 136.787 31.203 91.199 1.00 74.23 N +ATOM 739 CA MET A 125 136.740 32.655 91.153 1.00 74.23 C +ATOM 740 C MET A 125 135.943 33.029 89.946 1.00 74.23 C +ATOM 741 O MET A 125 134.942 33.721 90.038 1.00 74.23 O +ATOM 742 CB MET A 125 138.127 33.238 90.986 1.00 59.10 C +ATOM 743 CG MET A 125 138.982 33.138 92.198 1.00 59.10 C +ATOM 744 SD MET A 125 140.477 34.127 92.024 1.00 59.10 S +ATOM 745 CE MET A 125 140.902 34.360 93.731 1.00 59.10 C +ATOM 746 N MET A 126 136.412 32.556 88.804 1.00 44.38 N +ATOM 747 CA MET A 126 135.768 32.794 87.525 1.00 44.38 C +ATOM 748 C MET A 126 134.301 32.484 87.674 1.00 44.38 C +ATOM 749 O MET A 126 133.443 33.293 87.316 1.00 44.38 O +ATOM 750 CB MET A 126 136.370 31.881 86.463 1.00 74.72 C +ATOM 751 CG MET A 126 135.873 32.145 85.063 1.00 74.72 C +ATOM 752 SD MET A 126 136.185 33.839 84.530 1.00 74.72 S +ATOM 753 CE MET A 126 134.695 34.113 83.471 1.00 74.72 C +ATOM 754 N PHE A 127 134.018 31.339 88.277 1.00 55.70 N +ATOM 755 CA PHE A 127 132.646 30.951 88.473 1.00 55.70 C +ATOM 756 C PHE A 127 131.895 31.963 89.328 1.00 55.70 C +ATOM 757 O PHE A 127 130.763 32.351 89.027 1.00 55.70 O +ATOM 758 CB PHE A 127 132.553 29.594 89.137 1.00 63.18 C +ATOM 759 CG PHE A 127 131.156 29.125 89.282 1.00 63.18 C +ATOM 760 CD1 PHE A 127 130.492 28.563 88.199 1.00 63.18 C +ATOM 761 CD2 PHE A 127 130.464 29.327 90.470 1.00 63.18 C +ATOM 762 CE1 PHE A 127 129.160 28.214 88.284 1.00 63.18 C +ATOM 763 CE2 PHE A 127 129.122 28.982 90.573 1.00 63.18 C +ATOM 764 CZ PHE A 127 128.468 28.422 89.471 1.00 63.18 C +ATOM 765 N GLN A 128 132.528 32.396 90.402 1.00 62.93 N +ATOM 766 CA GLN A 128 131.901 33.337 91.295 1.00 62.93 C +ATOM 767 C GLN A 128 131.600 34.624 90.562 1.00 62.93 C +ATOM 768 O GLN A 128 130.450 35.051 90.509 1.00 62.93 O +ATOM 769 CB GLN A 128 132.810 33.601 92.473 1.00 51.51 C +ATOM 770 CG GLN A 128 133.100 32.378 93.277 1.00 51.51 C +ATOM 771 CD GLN A 128 134.109 32.659 94.336 1.00 51.51 C +ATOM 772 OE1 GLN A 128 133.902 33.525 95.189 1.00 51.51 O +ATOM 773 NE2 GLN A 128 135.229 31.966 94.277 1.00 51.51 N +ATOM 774 N LEU A 129 132.622 35.194 89.934 1.00 56.68 N +ATOM 775 CA LEU A 129 132.492 36.442 89.199 1.00 56.68 C +ATOM 776 C LEU A 129 131.238 36.436 88.334 1.00 56.68 C +ATOM 777 O LEU A 129 130.435 37.370 88.391 1.00 56.68 O +ATOM 778 CB LEU A 129 133.744 36.680 88.361 1.00 35.57 C +ATOM 779 CG LEU A 129 134.377 38.058 88.577 1.00 35.57 C +ATOM 780 CD1 LEU A 129 135.701 38.235 87.820 1.00 35.57 C +ATOM 781 CD2 LEU A 129 133.384 39.100 88.128 1.00 35.57 C +ATOM 782 N LEU A 130 131.037 35.337 87.609 1.00 58.04 N +ATOM 783 CA LEU A 130 129.872 35.154 86.743 1.00 58.04 C +ATOM 784 C LEU A 130 128.572 35.147 87.535 1.00 58.04 C +ATOM 785 O LEU A 130 127.705 35.983 87.316 1.00 58.04 O +ATOM 786 CB LEU A 130 129.980 33.845 85.954 1.00 41.36 C +ATOM 787 CG LEU A 130 130.759 33.873 84.640 1.00 41.36 C +ATOM 788 CD1 LEU A 130 130.939 32.483 84.050 1.00 41.36 C +ATOM 789 CD2 LEU A 130 130.008 34.754 83.686 1.00 41.36 C +ATOM 790 N ARG A 131 128.438 34.194 88.448 1.00 44.26 N +ATOM 791 CA ARG A 131 127.240 34.106 89.261 1.00 44.26 C +ATOM 792 C ARG A 131 126.882 35.519 89.758 1.00 44.26 C +ATOM 793 O ARG A 131 125.730 35.951 89.669 1.00 44.26 O +ATOM 794 CB ARG A 131 127.475 33.140 90.440 1.00 99.90 C +ATOM 795 CG ARG A 131 126.245 32.880 91.321 1.00 99.90 C +ATOM 796 CD ARG A 131 126.403 31.660 92.251 1.00 99.90 C +ATOM 797 NE ARG A 131 127.387 31.857 93.313 1.00 99.90 N +ATOM 798 CZ ARG A 131 127.742 30.932 94.202 1.00 99.90 C +ATOM 799 NH1 ARG A 131 127.205 29.722 94.176 1.00 99.90 N +ATOM 800 NH2 ARG A 131 128.639 31.224 95.132 1.00 99.90 N +ATOM 801 N GLY A 132 127.898 36.275 90.167 1.00 49.32 N +ATOM 802 CA GLY A 132 127.678 37.609 90.692 1.00 49.32 C +ATOM 803 C GLY A 132 127.220 38.555 89.630 1.00 49.32 C +ATOM 804 O GLY A 132 126.191 39.192 89.764 1.00 49.32 O +ATOM 805 N LEU A 133 128.005 38.642 88.576 1.00 72.73 N +ATOM 806 CA LEU A 133 127.678 39.504 87.469 1.00 72.73 C +ATOM 807 C LEU A 133 126.318 39.124 86.957 1.00 72.73 C +ATOM 808 O LEU A 133 125.590 39.957 86.413 1.00 72.73 O +ATOM 809 CB LEU A 133 128.668 39.296 86.346 1.00 63.47 C +ATOM 810 CG LEU A 133 129.770 40.326 86.230 1.00 63.47 C +ATOM 811 CD1 LEU A 133 131.075 39.629 85.966 1.00 63.47 C +ATOM 812 CD2 LEU A 133 129.434 41.257 85.114 1.00 63.47 C +ATOM 813 N ASP A 134 125.975 37.853 87.088 1.00 59.97 N +ATOM 814 CA ASP A 134 124.683 37.441 86.611 1.00 59.97 C +ATOM 815 C ASP A 134 123.632 38.104 87.482 1.00 59.97 C +ATOM 816 O ASP A 134 122.767 38.832 86.962 1.00 59.97 O +ATOM 817 CB ASP A 134 124.512 35.932 86.629 1.00 71.22 C +ATOM 818 CG ASP A 134 123.120 35.515 86.186 1.00 71.22 C +ATOM 819 OD1 ASP A 134 122.631 36.015 85.136 1.00 71.22 O +ATOM 820 OD2 ASP A 134 122.503 34.712 86.914 1.00 71.22 O +ATOM 821 N PHE A 135 123.775 37.928 88.803 1.00 48.47 N +ATOM 822 CA PHE A 135 122.850 38.492 89.799 1.00 48.47 C +ATOM 823 C PHE A 135 122.516 39.963 89.545 1.00 48.47 C +ATOM 824 O PHE A 135 121.437 40.434 89.929 1.00 48.47 O +ATOM 825 CB PHE A 135 123.383 38.332 91.232 1.00 61.41 C +ATOM 826 CG PHE A 135 122.703 39.236 92.231 1.00 61.41 C +ATOM 827 CD1 PHE A 135 121.508 38.872 92.818 1.00 61.41 C +ATOM 828 CD2 PHE A 135 123.240 40.480 92.541 1.00 61.41 C +ATOM 829 CE1 PHE A 135 120.857 39.730 93.693 1.00 61.41 C +ATOM 830 CE2 PHE A 135 122.587 41.340 93.417 1.00 61.41 C +ATOM 831 CZ PHE A 135 121.392 40.960 93.992 1.00 61.41 C +ATOM 832 N LEU A 136 123.454 40.699 88.959 1.00 74.90 N +ATOM 833 CA LEU A 136 123.211 42.101 88.659 1.00 74.90 C +ATOM 834 C LEU A 136 122.295 42.254 87.429 1.00 74.90 C +ATOM 835 O LEU A 136 121.290 42.977 87.471 1.00 74.90 O +ATOM 836 CB LEU A 136 124.535 42.849 88.486 1.00 54.34 C +ATOM 837 CG LEU A 136 125.393 42.964 89.752 1.00 54.34 C +ATOM 838 CD1 LEU A 136 126.686 43.673 89.386 1.00 54.34 C +ATOM 839 CD2 LEU A 136 124.642 43.706 90.882 1.00 54.34 C +ATOM 840 N HIS A 137 122.584 41.505 86.371 1.00 71.94 N +ATOM 841 CA HIS A 137 121.769 41.578 85.163 1.00 71.94 C +ATOM 842 C HIS A 137 120.311 41.273 85.474 1.00 71.94 C +ATOM 843 O HIS A 137 119.390 42.015 85.086 1.00 71.94 O +ATOM 844 CB HIS A 137 122.337 40.635 84.108 1.00 97.68 C +ATOM 845 CG HIS A 137 123.706 41.031 83.659 1.00 97.68 C +ATOM 846 ND1 HIS A 137 124.221 42.291 83.881 1.00 97.68 N +ATOM 847 CD2 HIS A 137 124.671 40.344 83.007 1.00 97.68 C +ATOM 848 CE1 HIS A 137 125.440 42.364 83.386 1.00 97.68 C +ATOM 849 NE2 HIS A 137 125.738 41.197 82.850 1.00 97.68 N +ATOM 850 N SER A 138 120.142 40.270 86.320 1.00 75.45 N +ATOM 851 CA SER A 138 118.849 39.797 86.764 1.00 75.45 C +ATOM 852 C SER A 138 118.002 40.903 87.343 1.00 75.45 C +ATOM 853 O SER A 138 116.807 40.739 87.556 1.00 75.45 O +ATOM 854 CB SER A 138 119.071 38.742 87.818 1.00 99.90 C +ATOM 855 OG SER A 138 120.298 38.084 87.553 1.00 99.90 O +ATOM 856 N HIS A 139 118.632 42.010 87.676 1.00 62.03 N +ATOM 857 CA HIS A 139 117.872 43.101 88.203 1.00 62.03 C +ATOM 858 C HIS A 139 118.249 44.353 87.456 1.00 62.03 C +ATOM 859 O HIS A 139 118.720 45.291 88.082 1.00 62.03 O +ATOM 860 CB HIS A 139 118.147 43.285 89.694 1.00 99.90 C +ATOM 861 CG HIS A 139 117.761 42.112 90.534 1.00 99.90 C +ATOM 862 ND1 HIS A 139 118.539 40.980 90.633 1.00 99.90 N +ATOM 863 CD2 HIS A 139 116.693 41.905 91.341 1.00 99.90 C +ATOM 864 CE1 HIS A 139 117.970 40.127 91.466 1.00 99.90 C +ATOM 865 NE2 HIS A 139 116.851 40.666 91.912 1.00 99.90 N +ATOM 866 N ARG A 140 118.149 44.344 86.127 1.00 99.90 N +ATOM 867 CA ARG A 140 118.444 45.537 85.301 1.00 99.90 C +ATOM 868 C ARG A 140 119.837 46.184 85.386 1.00 99.90 C +ATOM 869 O ARG A 140 120.151 47.112 84.623 1.00 99.90 O +ATOM 870 CB ARG A 140 117.433 46.667 85.614 1.00 99.90 C +ATOM 871 CG ARG A 140 117.779 47.523 86.886 1.00 99.90 C +ATOM 872 CD ARG A 140 117.601 49.041 86.744 1.00 99.90 C +ATOM 873 NE ARG A 140 116.216 49.476 86.923 1.00 99.90 N +ATOM 874 CZ ARG A 140 115.863 50.673 87.382 1.00 99.90 C +ATOM 875 NH1 ARG A 140 116.795 51.558 87.726 1.00 99.90 N +ATOM 876 NH2 ARG A 140 114.576 50.981 87.506 1.00 99.90 N +ATOM 877 N VAL A 141 120.657 45.734 86.322 1.00 77.45 N +ATOM 878 CA VAL A 141 121.962 46.336 86.542 1.00 77.45 C +ATOM 879 C VAL A 141 123.107 46.053 85.583 1.00 77.45 C +ATOM 880 O VAL A 141 123.500 44.899 85.378 1.00 77.45 O +ATOM 881 CB VAL A 141 122.437 46.041 87.971 1.00 70.50 C +ATOM 882 CG1 VAL A 141 123.892 46.484 88.161 1.00 70.50 C +ATOM 883 CG2 VAL A 141 121.513 46.730 88.968 1.00 70.50 C +ATOM 884 N VAL A 142 123.683 47.122 85.046 1.00 89.65 N +ATOM 885 CA VAL A 142 124.826 46.979 84.164 1.00 89.65 C +ATOM 886 C VAL A 142 126.000 47.733 84.769 1.00 89.65 C +ATOM 887 O VAL A 142 125.999 48.960 84.881 1.00 89.65 O +ATOM 888 CB VAL A 142 124.542 47.435 82.729 1.00 70.31 C +ATOM 889 CG1 VAL A 142 125.807 47.330 81.891 1.00 70.31 C +ATOM 890 CG2 VAL A 142 123.468 46.555 82.125 1.00 70.31 C +ATOM 891 N HIS A 143 126.958 46.939 85.228 1.00 52.87 N +ATOM 892 CA HIS A 143 128.175 47.391 85.863 1.00 52.87 C +ATOM 893 C HIS A 143 129.043 48.312 84.999 1.00 52.87 C +ATOM 894 O HIS A 143 129.619 49.264 85.504 1.00 52.87 O +ATOM 895 CB HIS A 143 128.945 46.162 86.296 1.00 69.54 C +ATOM 896 CG HIS A 143 130.164 46.466 87.085 1.00 69.54 C +ATOM 897 ND1 HIS A 143 130.488 45.785 88.234 1.00 69.54 N +ATOM 898 CD2 HIS A 143 131.139 47.383 86.897 1.00 69.54 C +ATOM 899 CE1 HIS A 143 131.614 46.271 88.724 1.00 69.54 C +ATOM 900 NE2 HIS A 143 132.029 47.242 87.932 1.00 69.54 N +ATOM 901 N ARG A 144 129.188 47.993 83.723 1.00 79.69 N +ATOM 902 CA ARG A 144 129.967 48.813 82.794 1.00 79.69 C +ATOM 903 C ARG A 144 131.462 48.983 83.044 1.00 79.69 C +ATOM 904 O ARG A 144 132.253 48.897 82.105 1.00 79.69 O +ATOM 905 CB ARG A 144 129.329 50.203 82.639 1.00 99.90 C +ATOM 906 CG ARG A 144 128.746 50.494 81.255 1.00 99.90 C +ATOM 907 CD ARG A 144 129.817 50.517 80.174 1.00 99.90 C +ATOM 908 NE ARG A 144 130.705 51.673 80.272 1.00 99.90 N +ATOM 909 CZ ARG A 144 130.570 52.782 79.549 1.00 99.90 C +ATOM 910 NH1 ARG A 144 129.581 52.894 78.670 1.00 99.90 N +ATOM 911 NH2 ARG A 144 131.440 53.771 79.689 1.00 99.90 N +ATOM 912 N ASP A 145 131.844 49.283 84.280 1.00 80.80 N +ATOM 913 CA ASP A 145 133.242 49.489 84.636 1.00 80.80 C +ATOM 914 C ASP A 145 133.662 48.284 85.462 1.00 80.80 C +ATOM 915 O ASP A 145 133.987 48.429 86.631 1.00 80.80 O +ATOM 916 CB ASP A 145 133.347 50.785 85.464 1.00 99.90 C +ATOM 917 CG ASP A 145 134.785 51.215 85.752 1.00 99.90 C +ATOM 918 OD1 ASP A 145 135.716 50.783 85.043 1.00 99.90 O +ATOM 919 OD2 ASP A 145 134.973 52.024 86.686 1.00 99.90 O +ATOM 920 N LEU A 146 133.611 47.085 84.893 1.00 23.34 N +ATOM 921 CA LEU A 146 133.976 45.900 85.668 1.00 23.34 C +ATOM 922 C LEU A 146 135.439 45.499 85.527 1.00 23.34 C +ATOM 923 O LEU A 146 135.744 44.424 85.041 1.00 23.34 O +ATOM 924 CB LEU A 146 133.073 44.703 85.322 1.00 34.89 C +ATOM 925 CG LEU A 146 133.186 43.398 86.146 1.00 34.89 C +ATOM 926 CD1 LEU A 146 131.969 43.240 87.052 1.00 34.89 C +ATOM 927 CD2 LEU A 146 133.301 42.183 85.239 1.00 34.89 C +ATOM 928 N LYS A 147 136.349 46.351 85.976 1.00 44.77 N +ATOM 929 CA LYS A 147 137.786 46.057 85.913 1.00 44.77 C +ATOM 930 C LYS A 147 138.188 45.110 87.066 1.00 44.77 C +ATOM 931 O LYS A 147 137.397 44.885 87.994 1.00 44.77 O +ATOM 932 CB LYS A 147 138.567 47.396 85.989 1.00 68.67 C +ATOM 933 CG LYS A 147 138.042 48.462 87.034 1.00 68.67 C +ATOM 934 CD LYS A 147 138.406 49.941 86.667 1.00 68.67 C +ATOM 935 CE LYS A 147 138.293 50.942 87.849 1.00 68.67 C +ATOM 936 NZ LYS A 147 136.936 51.464 88.226 1.00 68.67 N +ATOM 937 N PRO A 148 139.388 44.499 87.009 1.00 67.16 N +ATOM 938 CA PRO A 148 139.792 43.613 88.101 1.00 67.16 C +ATOM 939 C PRO A 148 139.778 44.405 89.415 1.00 67.16 C +ATOM 940 O PRO A 148 139.223 43.936 90.405 1.00 67.16 O +ATOM 941 CB PRO A 148 141.215 43.218 87.702 1.00 61.95 C +ATOM 942 CG PRO A 148 141.124 43.147 86.268 1.00 61.95 C +ATOM 943 CD PRO A 148 140.379 44.431 85.935 1.00 61.95 C +ATOM 944 N GLN A 149 140.307 45.636 89.391 1.00 50.56 N +ATOM 945 CA GLN A 149 140.362 46.528 90.572 1.00 50.56 C +ATOM 946 C GLN A 149 139.026 46.804 91.253 1.00 50.56 C +ATOM 947 O GLN A 149 138.959 47.639 92.159 1.00 50.56 O +ATOM 948 CB GLN A 149 140.928 47.892 90.205 1.00 86.10 C +ATOM 949 CG GLN A 149 142.280 47.895 89.583 1.00 86.10 C +ATOM 950 CD GLN A 149 142.795 49.299 89.440 1.00 86.10 C +ATOM 951 OE1 GLN A 149 143.030 49.770 88.335 1.00 86.10 O +ATOM 952 NE2 GLN A 149 142.948 49.991 90.566 1.00 86.10 N +ATOM 953 N ASN A 150 137.966 46.228 90.698 1.00 30.81 N +ATOM 954 CA ASN A 150 136.632 46.372 91.222 1.00 30.81 C +ATOM 955 C ASN A 150 136.193 45.012 91.714 1.00 30.81 C +ATOM 956 O ASN A 150 135.262 44.893 92.496 1.00 30.81 O +ATOM 957 CB ASN A 150 135.716 46.898 90.136 1.00 40.82 C +ATOM 958 CG ASN A 150 135.851 48.393 89.954 1.00 40.82 C +ATOM 959 OD1 ASN A 150 136.303 49.110 90.852 1.00 40.82 O +ATOM 960 ND2 ASN A 150 135.459 48.880 88.790 1.00 40.82 N +ATOM 961 N ILE A 151 136.833 43.970 91.214 1.00 43.16 N +ATOM 962 CA ILE A 151 136.531 42.630 91.663 1.00 43.16 C +ATOM 963 C ILE A 151 137.319 42.517 92.959 1.00 43.16 C +ATOM 964 O ILE A 151 138.482 42.896 93.031 1.00 43.16 O +ATOM 965 CB ILE A 151 137.077 41.586 90.673 1.00 36.55 C +ATOM 966 CG1 ILE A 151 136.751 42.005 89.250 1.00 36.55 C +ATOM 967 CG2 ILE A 151 136.492 40.213 90.947 1.00 36.55 C +ATOM 968 CD1 ILE A 151 135.303 42.262 89.052 1.00 36.55 C +ATOM 969 N LEU A 152 136.692 42.044 94.009 1.00 47.34 N +ATOM 970 CA LEU A 152 137.428 41.896 95.244 1.00 47.34 C +ATOM 971 C LEU A 152 137.629 40.422 95.520 1.00 47.34 C +ATOM 972 O LEU A 152 136.730 39.594 95.301 1.00 47.34 O +ATOM 973 CB LEU A 152 136.658 42.511 96.402 1.00 32.31 C +ATOM 974 CG LEU A 152 136.307 43.997 96.365 1.00 32.31 C +ATOM 975 CD1 LEU A 152 135.501 44.401 97.626 1.00 32.31 C +ATOM 976 CD2 LEU A 152 137.596 44.792 96.251 1.00 32.31 C +ATOM 977 N VAL A 153 138.811 40.089 96.001 1.00 32.09 N +ATOM 978 CA VAL A 153 139.098 38.705 96.313 1.00 32.09 C +ATOM 979 C VAL A 153 139.307 38.693 97.819 1.00 32.09 C +ATOM 980 O VAL A 153 140.244 39.324 98.288 1.00 32.09 O +ATOM 981 CB VAL A 153 140.378 38.239 95.601 1.00 58.22 C +ATOM 982 CG1 VAL A 153 140.663 36.822 95.949 1.00 58.22 C +ATOM 983 CG2 VAL A 153 140.230 38.377 94.121 1.00 58.22 C +ATOM 984 N THR A 154 138.442 38.015 98.579 1.00 21.90 N +ATOM 985 CA THR A 154 138.583 37.983 100.044 1.00 21.90 C +ATOM 986 C THR A 154 139.753 37.142 100.524 1.00 21.90 C +ATOM 987 O THR A 154 140.443 36.501 99.726 1.00 21.90 O +ATOM 988 CB THR A 154 137.351 37.425 100.776 1.00 53.67 C +ATOM 989 OG1 THR A 154 137.298 36.008 100.608 1.00 53.67 O +ATOM 990 CG2 THR A 154 136.087 38.061 100.276 1.00 53.67 C +ATOM 991 N SER A 155 139.941 37.136 101.843 1.00 58.51 N +ATOM 992 CA SER A 155 140.990 36.371 102.491 1.00 58.51 C +ATOM 993 C SER A 155 140.784 34.939 102.038 1.00 58.51 C +ATOM 994 O SER A 155 141.718 34.261 101.611 1.00 58.51 O +ATOM 995 CB SER A 155 140.809 36.461 104.006 1.00 99.90 C +ATOM 996 OG SER A 155 141.741 35.656 104.703 1.00 99.90 O +ATOM 997 N SER A 156 139.522 34.529 102.048 1.00 71.13 N +ATOM 998 CA SER A 156 139.150 33.189 101.654 1.00 71.13 C +ATOM 999 C SER A 156 138.926 33.050 100.153 1.00 71.13 C +ATOM 1000 O SER A 156 138.196 32.156 99.734 1.00 71.13 O +ATOM 1001 CB SER A 156 137.881 32.747 102.410 1.00 86.74 C +ATOM 1002 OG SER A 156 136.777 33.621 102.189 1.00 86.74 O +ATOM 1003 N GLY A 157 139.509 33.938 99.346 1.00 58.73 N +ATOM 1004 CA GLY A 157 139.327 33.860 97.897 1.00 58.73 C +ATOM 1005 C GLY A 157 137.873 33.880 97.424 1.00 58.73 C +ATOM 1006 O GLY A 157 137.541 33.366 96.346 1.00 58.73 O +ATOM 1007 N GLN A 158 137.006 34.451 98.256 1.00 48.94 N +ATOM 1008 CA GLN A 158 135.576 34.580 97.990 1.00 48.94 C +ATOM 1009 C GLN A 158 135.487 35.883 97.200 1.00 48.94 C +ATOM 1010 O GLN A 158 136.035 36.900 97.611 1.00 48.94 O +ATOM 1011 CB GLN A 158 134.833 34.639 99.337 1.00 99.90 C +ATOM 1012 CG GLN A 158 133.742 35.672 99.473 1.00 99.90 C +ATOM 1013 CD GLN A 158 132.397 35.170 99.015 1.00 99.90 C +ATOM 1014 OE1 GLN A 158 131.413 35.239 99.759 1.00 99.90 O +ATOM 1015 NE2 GLN A 158 132.337 34.661 97.790 1.00 99.90 N +ATOM 1016 N ILE A 159 134.860 35.848 96.037 1.00 33.70 N +ATOM 1017 CA ILE A 159 134.788 37.033 95.213 1.00 33.70 C +ATOM 1018 C ILE A 159 133.583 37.927 95.398 1.00 33.70 C +ATOM 1019 O ILE A 159 132.482 37.457 95.695 1.00 33.70 O +ATOM 1020 CB ILE A 159 134.936 36.652 93.765 1.00 22.43 C +ATOM 1021 CG1 ILE A 159 136.415 36.442 93.478 1.00 22.43 C +ATOM 1022 CG2 ILE A 159 134.388 37.722 92.852 1.00 22.43 C +ATOM 1023 CD1 ILE A 159 136.713 36.042 92.052 1.00 22.43 C +ATOM 1024 N LYS A 160 133.802 39.228 95.233 1.00 53.61 N +ATOM 1025 CA LYS A 160 132.733 40.198 95.352 1.00 53.61 C +ATOM 1026 C LYS A 160 132.918 41.283 94.333 1.00 53.61 C +ATOM 1027 O LYS A 160 134.027 41.759 94.111 1.00 53.61 O +ATOM 1028 CB LYS A 160 132.691 40.781 96.750 1.00 39.62 C +ATOM 1029 CG LYS A 160 132.171 39.788 97.732 1.00 39.62 C +ATOM 1030 CD LYS A 160 132.600 40.103 99.128 1.00 39.62 C +ATOM 1031 CE LYS A 160 131.812 39.247 100.133 1.00 39.62 C +ATOM 1032 NZ LYS A 160 130.310 39.482 100.075 1.00 39.62 N +ATOM 1033 N LEU A 161 131.847 41.570 93.612 1.00 45.25 N +ATOM 1034 CA LEU A 161 131.866 42.629 92.612 1.00 45.25 C +ATOM 1035 C LEU A 161 131.717 43.932 93.403 1.00 45.25 C +ATOM 1036 O LEU A 161 131.127 43.929 94.497 1.00 45.25 O +ATOM 1037 CB LEU A 161 130.680 42.483 91.645 1.00 28.92 C +ATOM 1038 CG LEU A 161 130.678 41.311 90.675 1.00 28.92 C +ATOM 1039 CD1 LEU A 161 129.527 41.431 89.686 1.00 28.92 C +ATOM 1040 CD2 LEU A 161 131.991 41.323 89.952 1.00 28.92 C +ATOM 1041 N ALA A 162 132.277 45.019 92.873 1.00 48.68 N +ATOM 1042 CA ALA A 162 132.201 46.346 93.500 1.00 48.68 C +ATOM 1043 C ALA A 162 132.727 47.365 92.509 1.00 48.68 C +ATOM 1044 O ALA A 162 133.352 46.990 91.515 1.00 48.68 O +ATOM 1045 CB ALA A 162 133.045 46.401 94.784 1.00 12.50 C +ATOM 1046 N ASP A 163 132.421 48.640 92.735 1.00 59.79 N +ATOM 1047 CA ASP A 163 132.918 49.698 91.856 1.00 59.79 C +ATOM 1048 C ASP A 163 133.415 50.872 92.665 1.00 59.79 C +ATOM 1049 O ASP A 163 132.729 51.323 93.586 1.00 59.79 O +ATOM 1050 CB ASP A 163 131.869 50.208 90.869 1.00 99.90 C +ATOM 1051 CG ASP A 163 132.326 51.481 90.165 1.00 99.90 C +ATOM 1052 OD1 ASP A 163 133.279 51.420 89.347 1.00 99.90 O +ATOM 1053 OD2 ASP A 163 131.775 52.555 90.482 1.00 99.90 O +ATOM 1054 N PHE A 164 134.585 51.386 92.288 1.00 72.49 N +ATOM 1055 CA PHE A 164 135.175 52.515 92.985 1.00 72.49 C +ATOM 1056 C PHE A 164 135.381 53.820 92.140 1.00 72.49 C +ATOM 1057 O PHE A 164 135.645 54.880 92.717 1.00 72.49 O +ATOM 1058 CB PHE A 164 136.481 52.070 93.690 1.00 88.65 C +ATOM 1059 CG PHE A 164 136.293 50.999 94.783 1.00 88.65 C +ATOM 1060 CD1 PHE A 164 135.269 51.095 95.733 1.00 88.65 C +ATOM 1061 CD2 PHE A 164 137.168 49.911 94.871 1.00 88.65 C +ATOM 1062 CE1 PHE A 164 135.119 50.129 96.747 1.00 88.65 C +ATOM 1063 CE2 PHE A 164 137.024 48.953 95.873 1.00 88.65 C +ATOM 1064 CZ PHE A 164 135.996 49.065 96.811 1.00 88.65 C +ATOM 1065 N GLY A 165 135.313 53.763 90.799 1.00 61.74 N +ATOM 1066 CA GLY A 165 135.486 54.973 89.977 1.00 61.74 C +ATOM 1067 C GLY A 165 136.834 55.681 90.103 1.00 61.74 C +ATOM 1068 O GLY A 165 137.173 56.586 89.346 1.00 61.74 O +ATOM 1069 N LEU A 166 137.589 55.229 91.093 1.00 99.90 N +ATOM 1070 CA LEU A 166 138.928 55.669 91.450 1.00 99.90 C +ATOM 1071 C LEU A 166 139.792 56.111 90.267 1.00 99.90 C +ATOM 1072 O LEU A 166 140.442 57.166 90.316 1.00 99.90 O +ATOM 1073 CB LEU A 166 139.608 54.503 92.215 1.00 99.90 C +ATOM 1074 CG LEU A 166 139.837 53.083 91.614 1.00 99.90 C +ATOM 1075 CD1 LEU A 166 140.169 52.071 92.719 1.00 99.90 C +ATOM 1076 CD2 LEU A 166 138.634 52.556 90.824 1.00 99.90 C +ATOM 1077 N ALA A 167 139.805 55.253 89.242 1.00 99.90 N +ATOM 1078 CA ALA A 167 140.552 55.423 87.995 1.00 99.90 C +ATOM 1079 C ALA A 167 142.070 55.285 88.133 1.00 99.90 C +ATOM 1080 O ALA A 167 142.777 56.282 88.295 1.00 99.90 O +ATOM 1081 CB ALA A 167 140.189 56.745 87.322 1.00 99.90 C +ATOM 1082 N ARG A 168 142.577 54.051 88.056 1.00 99.90 N +ATOM 1083 CA ARG A 168 144.024 53.819 88.155 1.00 99.90 C +ATOM 1084 C ARG A 168 144.659 54.037 86.787 1.00 99.90 C +ATOM 1085 O ARG A 168 145.126 53.105 86.117 1.00 99.90 O +ATOM 1086 CB ARG A 168 144.348 52.420 88.676 1.00 99.90 C +ATOM 1087 CG ARG A 168 145.717 52.338 89.324 1.00 99.90 C +ATOM 1088 CD ARG A 168 146.679 51.462 88.570 1.00 99.90 C +ATOM 1089 NE ARG A 168 147.869 52.212 88.196 1.00 99.90 N +ATOM 1090 CZ ARG A 168 148.326 52.282 86.955 1.00 99.90 C +ATOM 1091 NH1 ARG A 168 147.686 51.636 85.990 1.00 99.90 N +ATOM 1092 NH2 ARG A 168 149.395 53.017 86.676 1.00 99.90 N +ATOM 1093 N ILE A 169 144.651 55.305 86.403 1.00 99.90 N +ATOM 1094 CA ILE A 169 145.170 55.802 85.139 1.00 99.90 C +ATOM 1095 C ILE A 169 146.675 55.362 84.982 1.00 99.90 C +ATOM 1096 O ILE A 169 147.485 55.531 85.903 1.00 99.90 O +ATOM 1097 CB ILE A 169 144.818 57.349 85.101 1.00 73.17 C +ATOM 1098 CG1 ILE A 169 143.333 57.521 85.522 1.00 73.17 C +ATOM 1099 CG2 ILE A 169 145.081 57.986 83.697 1.00 73.17 C +ATOM 1100 CD1 ILE A 169 142.732 58.940 85.470 1.00 73.17 C +ATOM 1101 N TYR A 170 146.975 54.681 83.863 1.00 99.90 N +ATOM 1102 CA TYR A 170 148.291 54.082 83.515 1.00 99.90 C +ATOM 1103 C TYR A 170 149.255 54.826 82.559 1.00 99.90 C +ATOM 1104 O TYR A 170 148.900 55.849 81.962 1.00 99.90 O +ATOM 1105 CB TYR A 170 147.987 52.660 82.975 1.00 99.90 C +ATOM 1106 CG TYR A 170 149.108 51.776 82.399 1.00 99.90 C +ATOM 1107 CD1 TYR A 170 149.913 50.979 83.231 1.00 99.90 C +ATOM 1108 CD2 TYR A 170 149.240 51.602 81.010 1.00 99.90 C +ATOM 1109 CE1 TYR A 170 150.804 50.022 82.692 1.00 99.90 C +ATOM 1110 CE2 TYR A 170 150.122 50.651 80.469 1.00 99.90 C +ATOM 1111 CZ TYR A 170 150.894 49.865 81.312 1.00 99.90 C +ATOM 1112 OH TYR A 170 151.721 48.904 80.770 1.00 99.90 O +ATOM 1113 N SER A 171 150.475 54.278 82.447 1.00 99.90 N +ATOM 1114 CA SER A 171 151.573 54.761 81.593 1.00 99.90 C +ATOM 1115 C SER A 171 152.214 53.521 80.915 1.00 99.90 C +ATOM 1116 O SER A 171 152.526 52.543 81.598 1.00 99.90 O +ATOM 1117 CB SER A 171 152.611 55.505 82.443 1.00 99.90 C +ATOM 1118 OG SER A 171 153.182 54.669 83.435 1.00 99.90 O +ATOM 1119 N PHE A 172 152.430 53.578 79.595 1.00 99.90 N +ATOM 1120 CA PHE A 172 152.973 52.453 78.793 1.00 99.90 C +ATOM 1121 C PHE A 172 154.459 51.984 78.844 1.00 99.90 C +ATOM 1122 O PHE A 172 155.326 52.652 79.418 1.00 99.90 O +ATOM 1123 CB PHE A 172 152.536 52.606 77.321 1.00 99.90 C +ATOM 1124 CG PHE A 172 151.108 52.194 77.060 1.00 99.90 C +ATOM 1125 CD1 PHE A 172 150.049 52.992 77.475 1.00 99.90 C +ATOM 1126 CD2 PHE A 172 150.822 50.986 76.428 1.00 99.90 C +ATOM 1127 CE1 PHE A 172 148.735 52.595 77.272 1.00 99.90 C +ATOM 1128 CE2 PHE A 172 149.508 50.581 76.221 1.00 99.90 C +ATOM 1129 CZ PHE A 172 148.465 51.387 76.645 1.00 99.90 C +ATOM 1130 N GLN A 173 154.705 50.829 78.199 1.00 99.90 N +ATOM 1131 CA GLN A 173 155.998 50.103 78.065 1.00 99.90 C +ATOM 1132 C GLN A 173 157.340 50.720 78.496 1.00 99.90 C +ATOM 1133 O GLN A 173 158.189 51.004 77.646 1.00 99.90 O +ATOM 1134 CB GLN A 173 156.155 49.568 76.622 1.00 99.90 C +ATOM 1135 CG GLN A 173 155.618 48.154 76.352 1.00 99.90 C +ATOM 1136 CD GLN A 173 156.601 47.047 76.717 1.00 99.90 C +ATOM 1137 OE1 GLN A 173 157.739 47.026 76.248 1.00 99.90 O +ATOM 1138 NE2 GLN A 173 156.149 46.106 77.537 1.00 99.90 N +ATOM 1139 N MET A 174 157.566 50.831 79.804 1.00 99.90 N +ATOM 1140 CA MET A 174 158.810 51.384 80.353 1.00 99.90 C +ATOM 1141 C MET A 174 159.243 52.699 79.683 1.00 99.90 C +ATOM 1142 O MET A 174 158.937 53.788 80.182 1.00 99.90 O +ATOM 1143 CB MET A 174 159.932 50.338 80.278 1.00 93.21 C +ATOM 1144 N ALA A 175 159.917 52.591 78.537 1.00 99.90 N +ATOM 1145 CA ALA A 175 160.395 53.755 77.790 1.00 99.90 C +ATOM 1146 C ALA A 175 159.381 54.309 76.771 1.00 99.90 C +ATOM 1147 O ALA A 175 159.745 55.105 75.904 1.00 99.90 O +ATOM 1148 CB ALA A 175 161.727 53.429 77.098 1.00 99.90 C +ATOM 1149 N LEU A 176 158.125 53.872 76.863 1.00 99.90 N +ATOM 1150 CA LEU A 176 157.060 54.341 75.967 1.00 99.90 C +ATOM 1151 C LEU A 176 155.815 54.745 76.776 1.00 99.90 C +ATOM 1152 O LEU A 176 154.681 54.502 76.356 1.00 99.90 O +ATOM 1153 CB LEU A 176 156.704 53.253 74.949 1.00 99.90 C +ATOM 1154 N THR A 177 156.057 55.394 77.916 1.00 99.90 N +ATOM 1155 CA THR A 177 155.026 55.850 78.858 1.00 99.90 C +ATOM 1156 C THR A 177 153.837 56.649 78.282 1.00 99.90 C +ATOM 1157 O THR A 177 153.799 57.879 78.374 1.00 99.90 O +ATOM 1158 CB THR A 177 155.705 56.617 80.062 1.00 99.90 C +ATOM 1159 OG1 THR A 177 156.445 55.688 80.863 1.00 99.90 O +ATOM 1160 CG2 THR A 177 154.689 57.331 80.954 1.00 99.90 C +ATOM 1161 N SER A 178 152.893 55.949 77.649 1.00 99.90 N +ATOM 1162 CA SER A 178 151.684 56.578 77.108 1.00 99.90 C +ATOM 1163 C SER A 178 150.650 56.514 78.258 1.00 99.90 C +ATOM 1164 O SER A 178 150.532 55.474 78.905 1.00 99.90 O +ATOM 1165 CB SER A 178 151.176 55.809 75.867 1.00 99.90 C +ATOM 1166 OG SER A 178 152.123 55.789 74.804 1.00 99.90 O +ATOM 1167 N VAL A 179 149.977 57.627 78.568 1.00 99.90 N +ATOM 1168 CA VAL A 179 148.973 57.657 79.647 1.00 99.90 C +ATOM 1169 C VAL A 179 147.672 56.989 79.186 1.00 99.90 C +ATOM 1170 O VAL A 179 147.508 56.727 78.000 1.00 99.90 O +ATOM 1171 CB VAL A 179 148.693 59.112 80.142 1.00 99.90 C +ATOM 1172 CG1 VAL A 179 148.267 60.004 78.983 1.00 99.90 C +ATOM 1173 CG2 VAL A 179 147.636 59.118 81.256 1.00 99.90 C +ATOM 1174 N VAL A 180 146.783 56.659 80.120 1.00 99.90 N +ATOM 1175 CA VAL A 180 145.505 56.012 79.797 1.00 99.90 C +ATOM 1176 C VAL A 180 144.791 55.798 81.114 1.00 99.90 C +ATOM 1177 O VAL A 180 145.452 55.712 82.131 1.00 99.90 O +ATOM 1178 CB VAL A 180 145.722 54.607 79.133 1.00 99.90 C +ATOM 1179 CG1 VAL A 180 146.705 53.780 79.936 1.00 99.90 C +ATOM 1180 CG2 VAL A 180 144.413 53.840 79.039 1.00 99.90 C +ATOM 1181 N VAL A 181 143.462 55.708 81.109 1.00 99.90 N +ATOM 1182 CA VAL A 181 142.716 55.470 82.350 1.00 99.90 C +ATOM 1183 C VAL A 181 142.210 54.020 82.408 1.00 99.90 C +ATOM 1184 O VAL A 181 141.073 53.756 82.795 1.00 99.90 O +ATOM 1185 CB VAL A 181 141.553 56.491 82.545 1.00 62.69 C +ATOM 1186 CG1 VAL A 181 140.491 56.288 81.497 1.00 62.69 C +ATOM 1187 CG2 VAL A 181 140.971 56.401 83.948 1.00 62.69 C +ATOM 1188 N THR A 182 143.076 53.092 81.997 1.00 90.28 N +ATOM 1189 CA THR A 182 142.782 51.664 82.011 1.00 90.28 C +ATOM 1190 C THR A 182 141.368 51.387 81.542 1.00 90.28 C +ATOM 1191 O THR A 182 140.428 51.309 82.329 1.00 90.28 O +ATOM 1192 CB THR A 182 142.999 51.075 83.418 1.00 99.90 C +ATOM 1193 OG1 THR A 182 142.381 51.929 84.390 1.00 99.90 O +ATOM 1194 CG2 THR A 182 144.488 50.961 83.728 1.00 99.90 C +ATOM 1195 N LEU A 183 141.234 51.228 80.241 1.00 99.90 N +ATOM 1196 CA LEU A 183 139.947 50.974 79.620 1.00 99.90 C +ATOM 1197 C LEU A 183 140.082 49.645 78.897 1.00 99.90 C +ATOM 1198 O LEU A 183 139.321 49.304 78.002 1.00 99.90 O +ATOM 1199 CB LEU A 183 139.650 52.106 78.635 1.00 77.66 C +ATOM 1200 CG LEU A 183 140.521 52.313 77.378 1.00 77.66 C +ATOM 1201 CD1 LEU A 183 140.294 53.726 76.807 1.00 77.66 C +ATOM 1202 CD2 LEU A 183 142.001 52.113 77.658 1.00 77.66 C +ATOM 1203 N TRP A 184 141.035 48.870 79.378 1.00 69.76 N +ATOM 1204 CA TRP A 184 141.388 47.583 78.811 1.00 69.76 C +ATOM 1205 C TRP A 184 140.315 46.532 78.882 1.00 69.76 C +ATOM 1206 O TRP A 184 140.316 45.546 78.139 1.00 69.76 O +ATOM 1207 CB TRP A 184 142.605 47.078 79.540 1.00 72.21 C +ATOM 1208 CG TRP A 184 143.654 48.115 79.651 1.00 72.21 C +ATOM 1209 CD1 TRP A 184 143.831 49.211 78.845 1.00 72.21 C +ATOM 1210 CD2 TRP A 184 144.719 48.127 80.580 1.00 72.21 C +ATOM 1211 NE1 TRP A 184 144.957 49.890 79.216 1.00 72.21 N +ATOM 1212 CE2 TRP A 184 145.525 49.242 80.281 1.00 72.21 C +ATOM 1213 CE3 TRP A 184 145.083 47.292 81.642 1.00 72.21 C +ATOM 1214 CZ2 TRP A 184 146.665 49.540 80.995 1.00 72.21 C +ATOM 1215 CZ3 TRP A 184 146.215 47.587 82.353 1.00 72.21 C +ATOM 1216 CH2 TRP A 184 146.998 48.702 82.028 1.00 72.21 C +ATOM 1217 N TYR A 185 139.400 46.737 79.804 1.00 55.74 N +ATOM 1218 CA TYR A 185 138.343 45.781 79.984 1.00 55.74 C +ATOM 1219 C TYR A 185 137.093 46.281 79.278 1.00 55.74 C +ATOM 1220 O TYR A 185 136.017 45.687 79.374 1.00 55.74 O +ATOM 1221 CB TYR A 185 138.150 45.567 81.485 1.00 39.86 C +ATOM 1222 CG TYR A 185 139.469 45.312 82.200 1.00 39.86 C +ATOM 1223 CD1 TYR A 185 140.317 46.373 82.528 1.00 39.86 C +ATOM 1224 CD2 TYR A 185 139.905 44.011 82.476 1.00 39.86 C +ATOM 1225 CE1 TYR A 185 141.565 46.154 83.107 1.00 39.86 C +ATOM 1226 CE2 TYR A 185 141.150 43.778 83.050 1.00 39.86 C +ATOM 1227 CZ TYR A 185 141.984 44.859 83.371 1.00 39.86 C +ATOM 1228 OH TYR A 185 143.206 44.668 84.000 1.00 39.86 O +ATOM 1229 N ARG A 186 137.253 47.360 78.522 1.00 83.81 N +ATOM 1230 CA ARG A 186 136.132 47.928 77.808 1.00 83.81 C +ATOM 1231 C ARG A 186 135.744 47.037 76.661 1.00 83.81 C +ATOM 1232 O ARG A 186 136.584 46.422 75.995 1.00 83.81 O +ATOM 1233 CB ARG A 186 136.443 49.338 77.309 1.00 90.66 C +ATOM 1234 CG ARG A 186 136.439 50.389 78.402 1.00 90.66 C +ATOM 1235 CD ARG A 186 135.080 50.476 79.079 1.00 90.66 C +ATOM 1236 NE ARG A 186 135.074 51.421 80.195 1.00 90.66 N +ATOM 1237 CZ ARG A 186 135.133 52.746 80.070 1.00 90.66 C +ATOM 1238 NH1 ARG A 186 135.205 53.320 78.873 1.00 90.66 N +ATOM 1239 NH2 ARG A 186 135.124 53.509 81.153 1.00 90.66 N +ATOM 1240 N ALA A 187 134.441 46.910 76.508 1.00 54.09 N +ATOM 1241 CA ALA A 187 133.867 46.113 75.453 1.00 54.09 C +ATOM 1242 C ALA A 187 134.022 46.858 74.139 1.00 54.09 C +ATOM 1243 O ALA A 187 134.139 48.080 74.124 1.00 54.09 O +ATOM 1244 CB ALA A 187 132.410 45.864 75.750 1.00 90.76 C +ATOM 1245 N PRO A 188 133.994 46.134 73.010 1.00 62.81 N +ATOM 1246 CA PRO A 188 134.137 46.818 71.724 1.00 62.81 C +ATOM 1247 C PRO A 188 132.960 47.764 71.576 1.00 62.81 C +ATOM 1248 O PRO A 188 133.138 48.905 71.153 1.00 62.81 O +ATOM 1249 CB PRO A 188 134.049 45.676 70.716 1.00 76.59 C +ATOM 1250 CG PRO A 188 134.494 44.466 71.511 1.00 76.59 C +ATOM 1251 CD PRO A 188 133.802 44.687 72.815 1.00 76.59 C +ATOM 1252 N GLU A 189 131.779 47.301 72.008 1.00 48.29 N +ATOM 1253 CA GLU A 189 130.540 48.085 71.935 1.00 48.29 C +ATOM 1254 C GLU A 189 130.788 49.468 72.471 1.00 48.29 C +ATOM 1255 O GLU A 189 130.845 50.436 71.717 1.00 48.29 O +ATOM 1256 CB GLU A 189 129.454 47.458 72.777 1.00 93.74 C +ATOM 1257 CG GLU A 189 129.327 46.010 72.569 1.00 93.74 C +ATOM 1258 CD GLU A 189 129.140 45.318 73.867 1.00 93.74 C +ATOM 1259 OE1 GLU A 189 128.017 45.359 74.409 1.00 93.74 O +ATOM 1260 OE2 GLU A 189 130.127 44.754 74.361 1.00 93.74 O +ATOM 1261 N VAL A 190 130.996 49.537 73.781 1.00 58.74 N +ATOM 1262 CA VAL A 190 131.258 50.797 74.465 1.00 58.74 C +ATOM 1263 C VAL A 190 132.457 51.547 73.898 1.00 58.74 C +ATOM 1264 O VAL A 190 132.534 52.774 74.010 1.00 58.74 O +ATOM 1265 CB VAL A 190 131.472 50.596 75.989 1.00 99.90 C +ATOM 1266 CG1 VAL A 190 130.166 50.218 76.656 1.00 99.90 C +ATOM 1267 CG2 VAL A 190 132.529 49.539 76.251 1.00 99.90 C +ATOM 1268 N LEU A 191 133.398 50.821 73.304 1.00 49.09 N +ATOM 1269 CA LEU A 191 134.569 51.465 72.734 1.00 49.09 C +ATOM 1270 C LEU A 191 134.163 52.333 71.562 1.00 49.09 C +ATOM 1271 O LEU A 191 134.319 53.563 71.596 1.00 49.09 O +ATOM 1272 CB LEU A 191 135.577 50.425 72.279 1.00 45.23 C +ATOM 1273 CG LEU A 191 136.507 49.989 73.400 1.00 45.23 C +ATOM 1274 CD1 LEU A 191 137.379 48.844 72.908 1.00 45.23 C +ATOM 1275 CD2 LEU A 191 137.338 51.182 73.869 1.00 45.23 C +ATOM 1276 N LEU A 192 133.601 51.682 70.546 1.00 91.59 N +ATOM 1277 CA LEU A 192 133.142 52.338 69.325 1.00 91.59 C +ATOM 1278 C LEU A 192 132.026 53.339 69.648 1.00 91.59 C +ATOM 1279 O LEU A 192 131.781 54.302 68.909 1.00 91.59 O +ATOM 1280 CB LEU A 192 132.656 51.261 68.348 1.00 87.96 C +ATOM 1281 CG LEU A 192 133.584 50.733 67.239 1.00 87.96 C +ATOM 1282 CD1 LEU A 192 135.022 51.170 67.433 1.00 87.96 C +ATOM 1283 CD2 LEU A 192 133.471 49.217 67.122 1.00 87.96 C +ATOM 1284 N GLN A 193 131.396 53.107 70.790 1.00 97.22 N +ATOM 1285 CA GLN A 193 130.312 53.915 71.305 1.00 97.22 C +ATOM 1286 C GLN A 193 129.055 53.779 70.484 1.00 97.22 C +ATOM 1287 O GLN A 193 128.882 54.431 69.461 1.00 97.22 O +ATOM 1288 CB GLN A 193 130.719 55.381 71.501 1.00 99.90 C +ATOM 1289 CG GLN A 193 131.131 55.695 72.943 1.00 99.90 C +ATOM 1290 CD GLN A 193 130.105 55.201 73.969 1.00 99.90 C +ATOM 1291 OE1 GLN A 193 128.896 55.250 73.733 1.00 99.90 O +ATOM 1292 NE2 GLN A 193 130.588 54.703 75.100 1.00 99.90 N +ATOM 1293 N SER A 194 128.215 52.850 70.919 1.00 93.43 N +ATOM 1294 CA SER A 194 126.945 52.582 70.275 1.00 93.43 C +ATOM 1295 C SER A 194 126.011 51.870 71.241 1.00 93.43 C +ATOM 1296 O SER A 194 124.917 51.447 70.851 1.00 93.43 O +ATOM 1297 CB SER A 194 127.136 51.747 69.005 1.00 99.90 C +ATOM 1298 OG SER A 194 127.960 50.627 69.257 1.00 99.90 O +ATOM 1299 N SER A 195 126.429 51.771 72.503 1.00 99.90 N +ATOM 1300 CA SER A 195 125.634 51.118 73.540 1.00 99.90 C +ATOM 1301 C SER A 195 126.413 50.951 74.824 1.00 99.90 C +ATOM 1302 O SER A 195 127.585 51.312 74.915 1.00 99.90 O +ATOM 1303 CB SER A 195 125.171 49.730 73.083 1.00 99.90 C +ATOM 1304 OG SER A 195 124.479 49.035 74.113 1.00 99.90 O +ATOM 1305 N TYR A 196 125.730 50.370 75.799 1.00 95.03 N +ATOM 1306 CA TYR A 196 126.268 50.065 77.106 1.00 95.03 C +ATOM 1307 C TYR A 196 125.237 49.084 77.656 1.00 95.03 C +ATOM 1308 O TYR A 196 124.574 49.353 78.648 1.00 95.03 O +ATOM 1309 CB TYR A 196 126.344 51.329 77.961 1.00 54.24 C +ATOM 1310 N ALA A 197 125.068 47.967 76.954 1.00 99.90 N +ATOM 1311 CA ALA A 197 124.093 46.944 77.331 1.00 99.90 C +ATOM 1312 C ALA A 197 124.543 45.986 78.435 1.00 99.90 C +ATOM 1313 O ALA A 197 125.683 46.040 78.891 1.00 99.90 O +ATOM 1314 CB ALA A 197 123.676 46.155 76.089 1.00 99.90 C +ATOM 1315 N THR A 198 123.634 45.104 78.851 1.00 84.70 N +ATOM 1316 CA THR A 198 123.916 44.095 79.875 1.00 84.70 C +ATOM 1317 C THR A 198 125.191 43.315 79.526 1.00 84.70 C +ATOM 1318 O THR A 198 126.076 43.159 80.374 1.00 84.70 O +ATOM 1319 CB THR A 198 122.703 43.107 80.041 1.00 68.18 C +ATOM 1320 OG1 THR A 198 121.749 43.654 80.957 1.00 68.18 O +ATOM 1321 CG2 THR A 198 123.137 41.730 80.530 1.00 68.18 C +ATOM 1322 N PRO A 199 125.321 42.846 78.266 1.00 84.73 N +ATOM 1323 CA PRO A 199 126.498 42.085 77.831 1.00 84.73 C +ATOM 1324 C PRO A 199 127.822 42.832 77.795 1.00 84.73 C +ATOM 1325 O PRO A 199 128.841 42.239 77.435 1.00 84.73 O +ATOM 1326 CB PRO A 199 126.111 41.628 76.424 1.00 99.90 C +ATOM 1327 CG PRO A 199 124.646 41.548 76.485 1.00 99.90 C +ATOM 1328 CD PRO A 199 124.300 42.817 77.207 1.00 99.90 C +ATOM 1329 N VAL A 200 127.825 44.123 78.124 1.00 68.11 N +ATOM 1330 CA VAL A 200 129.087 44.876 78.124 1.00 68.11 C +ATOM 1331 C VAL A 200 130.002 44.276 79.199 1.00 68.11 C +ATOM 1332 O VAL A 200 131.197 44.041 78.962 1.00 68.11 O +ATOM 1333 CB VAL A 200 128.876 46.398 78.392 1.00 64.43 C +ATOM 1334 CG1 VAL A 200 130.221 47.093 78.587 1.00 64.43 C +ATOM 1335 CG2 VAL A 200 128.142 47.041 77.230 1.00 64.43 C +ATOM 1336 N ASP A 201 129.401 43.965 80.350 1.00 69.02 N +ATOM 1337 CA ASP A 201 130.105 43.379 81.485 1.00 69.02 C +ATOM 1338 C ASP A 201 130.698 42.047 81.083 1.00 69.02 C +ATOM 1339 O ASP A 201 131.869 41.766 81.329 1.00 69.02 O +ATOM 1340 CB ASP A 201 129.134 43.132 82.642 1.00 54.72 C +ATOM 1341 CG ASP A 201 128.724 44.410 83.370 1.00 54.72 C +ATOM 1342 OD1 ASP A 201 129.557 45.342 83.517 1.00 54.72 O +ATOM 1343 OD2 ASP A 201 127.557 44.457 83.827 1.00 54.72 O +ATOM 1344 N LEU A 202 129.872 41.228 80.447 1.00 37.73 N +ATOM 1345 CA LEU A 202 130.314 39.925 80.033 1.00 37.73 C +ATOM 1346 C LEU A 202 131.589 39.914 79.193 1.00 37.73 C +ATOM 1347 O LEU A 202 132.374 38.982 79.271 1.00 37.73 O +ATOM 1348 CB LEU A 202 129.191 39.183 79.363 1.00 51.18 C +ATOM 1349 CG LEU A 202 129.459 37.825 79.969 1.00 51.18 C +ATOM 1350 CD1 LEU A 202 128.185 37.219 80.381 1.00 51.18 C +ATOM 1351 CD2 LEU A 202 130.232 36.955 79.013 1.00 51.18 C +ATOM 1352 N TRP A 203 131.801 40.946 78.400 1.00 58.26 N +ATOM 1353 CA TRP A 203 133.009 41.015 77.614 1.00 58.26 C +ATOM 1354 C TRP A 203 134.145 41.187 78.600 1.00 58.26 C +ATOM 1355 O TRP A 203 135.216 40.602 78.449 1.00 58.26 O +ATOM 1356 CB TRP A 203 132.976 42.231 76.717 1.00 46.76 C +ATOM 1357 CG TRP A 203 134.317 42.606 76.177 1.00 46.76 C +ATOM 1358 CD1 TRP A 203 135.165 43.569 76.661 1.00 46.76 C +ATOM 1359 CD2 TRP A 203 134.938 42.081 75.007 1.00 46.76 C +ATOM 1360 NE1 TRP A 203 136.271 43.690 75.847 1.00 46.76 N +ATOM 1361 CE2 TRP A 203 136.159 42.785 74.824 1.00 46.76 C +ATOM 1362 CE3 TRP A 203 134.577 41.084 74.086 1.00 46.76 C +ATOM 1363 CZ2 TRP A 203 137.023 42.527 73.755 1.00 46.76 C +ATOM 1364 CZ3 TRP A 203 135.434 40.829 73.022 1.00 46.76 C +ATOM 1365 CH2 TRP A 203 136.650 41.552 72.865 1.00 46.76 C +ATOM 1366 N SER A 204 133.917 42.020 79.606 1.00 60.09 N +ATOM 1367 CA SER A 204 134.933 42.286 80.610 1.00 60.09 C +ATOM 1368 C SER A 204 135.290 41.013 81.352 1.00 60.09 C +ATOM 1369 O SER A 204 136.473 40.691 81.481 1.00 60.09 O +ATOM 1370 CB SER A 204 134.458 43.352 81.595 1.00 99.90 C +ATOM 1371 OG SER A 204 134.102 44.551 80.931 1.00 99.90 O +ATOM 1372 N VAL A 205 134.271 40.261 81.775 1.00 46.84 N +ATOM 1373 CA VAL A 205 134.498 39.022 82.513 1.00 46.84 C +ATOM 1374 C VAL A 205 135.444 38.186 81.705 1.00 46.84 C +ATOM 1375 O VAL A 205 136.293 37.513 82.264 1.00 46.84 O +ATOM 1376 CB VAL A 205 133.218 38.211 82.761 1.00 65.27 C +ATOM 1377 CG1 VAL A 205 132.056 39.134 82.937 1.00 65.27 C +ATOM 1378 CG2 VAL A 205 132.963 37.212 81.647 1.00 65.27 C +ATOM 1379 N GLY A 206 135.294 38.242 80.385 1.00 30.28 N +ATOM 1380 CA GLY A 206 136.178 37.502 79.512 1.00 30.28 C +ATOM 1381 C GLY A 206 137.596 38.052 79.602 1.00 30.28 C +ATOM 1382 O GLY A 206 138.554 37.280 79.768 1.00 30.28 O +ATOM 1383 N CYS A 207 137.748 39.373 79.506 1.00 34.64 N +ATOM 1384 CA CYS A 207 139.072 39.970 79.588 1.00 34.64 C +ATOM 1385 C CYS A 207 139.724 39.559 80.891 1.00 34.64 C +ATOM 1386 O CYS A 207 140.870 39.103 80.928 1.00 34.64 O +ATOM 1387 CB CYS A 207 138.973 41.476 79.507 1.00 59.14 C +ATOM 1388 SG CYS A 207 138.512 42.016 77.872 1.00 59.14 S +ATOM 1389 N ILE A 208 138.953 39.679 81.957 1.00 43.11 N +ATOM 1390 CA ILE A 208 139.398 39.309 83.280 1.00 43.11 C +ATOM 1391 C ILE A 208 139.714 37.819 83.313 1.00 43.11 C +ATOM 1392 O ILE A 208 140.736 37.403 83.845 1.00 43.11 O +ATOM 1393 CB ILE A 208 138.304 39.618 84.289 1.00 38.88 C +ATOM 1394 CG1 ILE A 208 138.149 41.134 84.412 1.00 38.88 C +ATOM 1395 CG2 ILE A 208 138.587 38.932 85.616 1.00 38.88 C +ATOM 1396 CD1 ILE A 208 136.968 41.544 85.263 1.00 38.88 C +ATOM 1397 N PHE A 209 138.844 37.018 82.719 1.00 40.02 N +ATOM 1398 CA PHE A 209 139.034 35.567 82.685 1.00 40.02 C +ATOM 1399 C PHE A 209 140.370 35.204 82.033 1.00 40.02 C +ATOM 1400 O PHE A 209 141.124 34.366 82.558 1.00 40.02 O +ATOM 1401 CB PHE A 209 137.892 34.906 81.901 1.00 48.55 C +ATOM 1402 CG PHE A 209 137.952 33.395 81.861 1.00 48.55 C +ATOM 1403 CD1 PHE A 209 138.685 32.672 82.806 1.00 48.55 C +ATOM 1404 CD2 PHE A 209 137.212 32.698 80.908 1.00 48.55 C +ATOM 1405 CE1 PHE A 209 138.672 31.284 82.805 1.00 48.55 C +ATOM 1406 CE2 PHE A 209 137.191 31.315 80.896 1.00 48.55 C +ATOM 1407 CZ PHE A 209 137.925 30.601 81.852 1.00 48.55 C +ATOM 1408 N ALA A 210 140.637 35.806 80.872 1.00 28.14 N +ATOM 1409 CA ALA A 210 141.875 35.549 80.161 1.00 28.14 C +ATOM 1410 C ALA A 210 142.988 35.946 81.123 1.00 28.14 C +ATOM 1411 O ALA A 210 143.899 35.157 81.411 1.00 28.14 O +ATOM 1412 CB ALA A 210 141.937 36.383 78.908 1.00 51.02 C +ATOM 1413 N GLU A 211 142.802 37.110 81.741 1.00 45.63 N +ATOM 1414 CA GLU A 211 143.772 37.681 82.682 1.00 45.63 C +ATOM 1415 C GLU A 211 144.086 36.834 83.916 1.00 45.63 C +ATOM 1416 O GLU A 211 145.177 36.954 84.471 1.00 45.63 O +ATOM 1417 CB GLU A 211 143.315 39.088 83.089 1.00 97.40 C +ATOM 1418 CG GLU A 211 144.346 39.953 83.800 1.00 97.40 C +ATOM 1419 CD GLU A 211 143.869 41.382 83.907 1.00 97.40 C +ATOM 1420 OE1 GLU A 211 143.256 41.849 82.929 1.00 97.40 O +ATOM 1421 OE2 GLU A 211 144.091 42.029 84.954 1.00 97.40 O +ATOM 1422 N MET A 212 143.129 36.007 84.345 1.00 42.93 N +ATOM 1423 CA MET A 212 143.281 35.133 85.512 1.00 42.93 C +ATOM 1424 C MET A 212 144.493 34.251 85.303 1.00 42.93 C +ATOM 1425 O MET A 212 145.407 34.202 86.141 1.00 42.93 O +ATOM 1426 CB MET A 212 142.045 34.262 85.645 1.00 66.88 C +ATOM 1427 CG MET A 212 140.824 35.042 85.993 1.00 66.88 C +ATOM 1428 SD MET A 212 140.990 35.530 87.681 1.00 66.88 S +ATOM 1429 CE MET A 212 139.501 34.786 88.320 1.00 66.88 C +ATOM 1430 N PHE A 213 144.466 33.546 84.170 1.00 73.07 N +ATOM 1431 CA PHE A 213 145.552 32.666 83.757 1.00 73.07 C +ATOM 1432 C PHE A 213 146.727 33.620 83.574 1.00 73.07 C +ATOM 1433 O PHE A 213 147.793 33.453 84.170 1.00 73.07 O +ATOM 1434 CB PHE A 213 145.258 32.014 82.381 1.00 55.37 C +ATOM 1435 CG PHE A 213 143.975 31.218 82.322 1.00 55.37 C +ATOM 1436 CD1 PHE A 213 143.955 29.867 82.659 1.00 55.37 C +ATOM 1437 CD2 PHE A 213 142.784 31.822 81.939 1.00 55.37 C +ATOM 1438 CE1 PHE A 213 142.760 29.125 82.625 1.00 55.37 C +ATOM 1439 CE2 PHE A 213 141.590 31.094 81.900 1.00 55.37 C +ATOM 1440 CZ PHE A 213 141.579 29.738 82.247 1.00 55.37 C +ATOM 1441 N ARG A 214 146.435 34.693 82.841 1.00 36.83 N +ATOM 1442 CA ARG A 214 147.384 35.736 82.462 1.00 36.83 C +ATOM 1443 C ARG A 214 148.293 36.505 83.434 1.00 36.83 C +ATOM 1444 O ARG A 214 149.513 36.551 83.222 1.00 36.83 O +ATOM 1445 CB ARG A 214 146.692 36.741 81.534 1.00 61.66 C +ATOM 1446 CG ARG A 214 146.352 36.183 80.156 1.00 61.66 C +ATOM 1447 CD ARG A 214 146.496 37.236 79.093 1.00 61.66 C +ATOM 1448 NE ARG A 214 147.831 37.818 79.125 1.00 61.66 N +ATOM 1449 CZ ARG A 214 148.223 38.809 78.337 1.00 61.66 C +ATOM 1450 NH1 ARG A 214 147.381 39.310 77.452 1.00 61.66 N +ATOM 1451 NH2 ARG A 214 149.435 39.333 78.462 1.00 61.66 N +ATOM 1452 N ARG A 215 147.725 37.175 84.437 1.00 44.76 N +ATOM 1453 CA ARG A 215 148.532 37.970 85.368 1.00 44.76 C +ATOM 1454 C ARG A 215 149.271 39.037 84.531 1.00 44.76 C +ATOM 1455 O ARG A 215 150.356 39.493 84.869 1.00 44.76 O +ATOM 1456 CB ARG A 215 149.501 37.056 86.144 1.00 99.90 C +ATOM 1457 CG ARG A 215 148.799 36.011 87.031 1.00 99.90 C +ATOM 1458 CD ARG A 215 149.674 34.786 87.283 1.00 99.90 C +ATOM 1459 NE ARG A 215 151.036 35.141 87.680 1.00 99.90 N +ATOM 1460 CZ ARG A 215 152.112 34.404 87.412 1.00 99.90 C +ATOM 1461 NH1 ARG A 215 151.993 33.262 86.750 1.00 99.90 N +ATOM 1462 NH2 ARG A 215 153.316 34.816 87.780 1.00 99.90 N +ATOM 1463 N LYS A 216 148.641 39.392 83.417 1.00 42.64 N +ATOM 1464 CA LYS A 216 149.098 40.382 82.451 1.00 42.64 C +ATOM 1465 C LYS A 216 147.796 40.586 81.671 1.00 42.64 C +ATOM 1466 O LYS A 216 147.134 39.619 81.296 1.00 42.64 O +ATOM 1467 CB LYS A 216 150.181 39.791 81.553 1.00 84.82 C +ATOM 1468 CG LYS A 216 151.443 40.627 81.481 1.00 84.82 C +ATOM 1469 CD LYS A 216 151.250 41.899 80.669 1.00 84.82 C +ATOM 1470 CE LYS A 216 151.055 41.588 79.192 1.00 84.82 C +ATOM 1471 NZ LYS A 216 151.226 42.784 78.326 1.00 84.82 N +ATOM 1472 N PRO A 217 147.353 41.837 81.508 1.00 34.54 N +ATOM 1473 CA PRO A 217 146.105 42.128 80.787 1.00 34.54 C +ATOM 1474 C PRO A 217 146.109 41.604 79.359 1.00 34.54 C +ATOM 1475 O PRO A 217 147.169 41.573 78.722 1.00 34.54 O +ATOM 1476 CB PRO A 217 146.062 43.654 80.796 1.00 59.87 C +ATOM 1477 CG PRO A 217 146.837 44.018 82.017 1.00 59.87 C +ATOM 1478 CD PRO A 217 148.009 43.080 81.935 1.00 59.87 C +ATOM 1479 N LEU A 218 144.938 41.213 78.849 1.00 45.39 N +ATOM 1480 CA LEU A 218 144.873 40.717 77.482 1.00 45.39 C +ATOM 1481 C LEU A 218 145.005 41.843 76.465 1.00 45.39 C +ATOM 1482 O LEU A 218 145.655 41.679 75.435 1.00 45.39 O +ATOM 1483 CB LEU A 218 143.593 39.935 77.208 1.00 45.28 C +ATOM 1484 CG LEU A 218 143.737 38.798 76.173 1.00 45.28 C +ATOM 1485 CD1 LEU A 218 142.377 38.258 75.815 1.00 45.28 C +ATOM 1486 CD2 LEU A 218 144.440 39.212 74.898 1.00 45.28 C +ATOM 1487 N PHE A 219 144.423 42.998 76.752 1.00 76.05 N +ATOM 1488 CA PHE A 219 144.487 44.094 75.796 1.00 76.05 C +ATOM 1489 C PHE A 219 144.773 45.428 76.492 1.00 76.05 C +ATOM 1490 O PHE A 219 143.857 46.007 77.055 1.00 76.05 O +ATOM 1491 CB PHE A 219 143.140 44.190 75.066 1.00 35.90 C +ATOM 1492 CG PHE A 219 142.516 42.840 74.679 1.00 35.90 C +ATOM 1493 CD1 PHE A 219 142.862 42.197 73.488 1.00 35.90 C +ATOM 1494 CD2 PHE A 219 141.485 42.277 75.449 1.00 35.90 C +ATOM 1495 CE1 PHE A 219 142.180 41.022 73.065 1.00 35.90 C +ATOM 1496 CE2 PHE A 219 140.794 41.094 75.026 1.00 35.90 C +ATOM 1497 CZ PHE A 219 141.147 40.478 73.834 1.00 35.90 C +ATOM 1498 N ARG A 220 146.006 45.939 76.426 1.00 64.52 N +ATOM 1499 CA ARG A 220 146.345 47.210 77.100 1.00 64.52 C +ATOM 1500 C ARG A 220 146.264 48.386 76.174 1.00 64.52 C +ATOM 1501 O ARG A 220 147.271 48.773 75.587 1.00 64.52 O +ATOM 1502 CB ARG A 220 147.756 47.211 77.701 1.00 99.90 C +ATOM 1503 CG ARG A 220 147.958 46.352 78.922 1.00 99.90 C +ATOM 1504 CD ARG A 220 148.925 45.211 78.630 1.00 99.90 C +ATOM 1505 NE ARG A 220 148.334 44.141 77.814 1.00 99.90 N +ATOM 1506 CZ ARG A 220 148.254 44.135 76.479 1.00 99.90 C +ATOM 1507 NH1 ARG A 220 148.723 45.150 75.756 1.00 99.90 N +ATOM 1508 NH2 ARG A 220 147.691 43.109 75.857 1.00 99.90 N +ATOM 1509 N GLY A 221 145.077 48.958 76.032 1.00 87.74 N +ATOM 1510 CA GLY A 221 144.933 50.108 75.167 1.00 87.74 C +ATOM 1511 C GLY A 221 145.377 51.397 75.830 1.00 87.74 C +ATOM 1512 O GLY A 221 145.469 51.486 77.056 1.00 87.74 O +ATOM 1513 N SER A 222 145.733 52.375 75.009 1.00 99.90 N +ATOM 1514 CA SER A 222 146.136 53.682 75.498 1.00 99.90 C +ATOM 1515 C SER A 222 144.925 54.561 75.224 1.00 99.90 C +ATOM 1516 O SER A 222 144.280 55.069 76.136 1.00 99.90 O +ATOM 1517 CB SER A 222 147.355 54.183 74.722 1.00 99.90 C +ATOM 1518 OG SER A 222 147.117 54.168 73.320 1.00 99.90 O +ATOM 1519 N SER A 223 144.593 54.693 73.950 1.00 64.13 N +ATOM 1520 CA SER A 223 143.448 55.477 73.548 1.00 64.13 C +ATOM 1521 C SER A 223 142.251 54.533 73.425 1.00 64.13 C +ATOM 1522 O SER A 223 142.406 53.311 73.535 1.00 64.13 O +ATOM 1523 CB SER A 223 143.732 56.132 72.193 1.00 99.90 C +ATOM 1524 OG SER A 223 142.603 56.840 71.703 1.00 99.90 O +ATOM 1525 N ASP A 224 141.071 55.104 73.171 1.00 86.45 N +ATOM 1526 CA ASP A 224 139.843 54.329 72.986 1.00 86.45 C +ATOM 1527 C ASP A 224 139.974 53.552 71.653 1.00 86.45 C +ATOM 1528 O ASP A 224 139.404 52.469 71.480 1.00 86.45 O +ATOM 1529 CB ASP A 224 138.605 55.262 72.974 1.00 99.90 C +ATOM 1530 CG ASP A 224 138.257 55.835 74.366 1.00 99.90 C +ATOM 1531 OD1 ASP A 224 138.971 56.740 74.854 1.00 99.90 O +ATOM 1532 OD2 ASP A 224 137.244 55.400 74.959 1.00 99.90 O +ATOM 1533 N VAL A 225 140.782 54.093 70.740 1.00 78.13 N +ATOM 1534 CA VAL A 225 141.020 53.473 69.433 1.00 78.13 C +ATOM 1535 C VAL A 225 142.003 52.305 69.537 1.00 78.13 C +ATOM 1536 O VAL A 225 141.715 51.201 69.059 1.00 78.13 O +ATOM 1537 CB VAL A 225 141.513 54.522 68.365 1.00 99.90 C +ATOM 1538 CG1 VAL A 225 142.860 55.130 68.748 1.00 99.90 C +ATOM 1539 CG2 VAL A 225 141.590 53.887 66.988 1.00 99.90 C +ATOM 1540 N ASP A 226 143.132 52.547 70.208 1.00 57.63 N +ATOM 1541 CA ASP A 226 144.176 51.542 70.400 1.00 57.63 C +ATOM 1542 C ASP A 226 143.486 50.274 70.886 1.00 57.63 C +ATOM 1543 O ASP A 226 143.509 49.238 70.220 1.00 57.63 O +ATOM 1544 CB ASP A 226 145.213 52.030 71.443 1.00 77.82 C +ATOM 1545 CG ASP A 226 146.499 51.156 71.497 1.00 77.82 C +ATOM 1546 OD1 ASP A 226 146.624 50.168 70.742 1.00 77.82 O +ATOM 1547 OD2 ASP A 226 147.404 51.467 72.304 1.00 77.82 O +ATOM 1548 N GLN A 227 142.778 50.405 71.998 1.00 39.11 N +ATOM 1549 CA GLN A 227 142.062 49.285 72.589 1.00 39.11 C +ATOM 1550 C GLN A 227 141.127 48.613 71.594 1.00 39.11 C +ATOM 1551 O GLN A 227 141.089 47.378 71.525 1.00 39.11 O +ATOM 1552 CB GLN A 227 141.259 49.766 73.799 1.00 75.59 C +ATOM 1553 CG GLN A 227 140.402 48.702 74.472 1.00 75.59 C +ATOM 1554 CD GLN A 227 141.202 47.740 75.304 1.00 75.59 C +ATOM 1555 OE1 GLN A 227 142.350 48.010 75.665 1.00 75.59 O +ATOM 1556 NE2 GLN A 227 140.589 46.615 75.640 1.00 75.59 N +ATOM 1557 N LEU A 228 140.379 49.412 70.828 1.00 71.44 N +ATOM 1558 CA LEU A 228 139.448 48.840 69.865 1.00 71.44 C +ATOM 1559 C LEU A 228 140.196 47.963 68.884 1.00 71.44 C +ATOM 1560 O LEU A 228 139.725 46.886 68.515 1.00 71.44 O +ATOM 1561 CB LEU A 228 138.642 49.914 69.141 1.00 78.25 C +ATOM 1562 CG LEU A 228 137.365 49.357 68.489 1.00 78.25 C +ATOM 1563 CD1 LEU A 228 137.657 48.784 67.136 1.00 78.25 C +ATOM 1564 CD2 LEU A 228 136.678 48.312 69.374 1.00 78.25 C +ATOM 1565 N GLY A 229 141.382 48.405 68.497 1.00 86.24 N +ATOM 1566 CA GLY A 229 142.175 47.609 67.591 1.00 86.24 C +ATOM 1567 C GLY A 229 142.672 46.347 68.280 1.00 86.24 C +ATOM 1568 O GLY A 229 142.303 45.234 67.899 1.00 86.24 O +ATOM 1569 N LYS A 230 143.463 46.525 69.337 1.00 88.86 N +ATOM 1570 CA LYS A 230 144.051 45.418 70.088 1.00 88.86 C +ATOM 1571 C LYS A 230 143.136 44.208 70.189 1.00 88.86 C +ATOM 1572 O LYS A 230 143.511 43.103 69.815 1.00 88.86 O +ATOM 1573 CB LYS A 230 144.500 45.889 71.478 1.00 92.22 C +ATOM 1574 CG LYS A 230 145.579 46.973 71.433 1.00 92.22 C +ATOM 1575 CD LYS A 230 146.501 46.949 72.648 1.00 92.22 C +ATOM 1576 CE LYS A 230 147.746 47.803 72.405 1.00 92.22 C +ATOM 1577 NZ LYS A 230 148.790 47.678 73.464 1.00 92.22 N +ATOM 1578 N ILE A 231 141.899 44.446 70.593 1.00 56.23 N +ATOM 1579 CA ILE A 231 140.926 43.375 70.732 1.00 56.23 C +ATOM 1580 C ILE A 231 140.837 42.607 69.437 1.00 56.23 C +ATOM 1581 O ILE A 231 141.005 41.391 69.401 1.00 56.23 O +ATOM 1582 CB ILE A 231 139.554 43.945 71.127 1.00 64.29 C +ATOM 1583 CG1 ILE A 231 139.524 44.159 72.643 1.00 64.29 C +ATOM 1584 CG2 ILE A 231 138.447 43.029 70.682 1.00 64.29 C +ATOM 1585 CD1 ILE A 231 138.636 45.286 73.116 1.00 64.29 C +ATOM 1586 N LEU A 232 140.647 43.347 68.363 1.00 76.41 N +ATOM 1587 CA LEU A 232 140.537 42.745 67.052 1.00 76.41 C +ATOM 1588 C LEU A 232 141.815 41.978 66.727 1.00 76.41 C +ATOM 1589 O LEU A 232 141.759 40.841 66.273 1.00 76.41 O +ATOM 1590 CB LEU A 232 140.258 43.820 65.992 1.00 51.30 C +ATOM 1591 CG LEU A 232 139.227 44.912 66.325 1.00 51.30 C +ATOM 1592 CD1 LEU A 232 138.999 45.797 65.120 1.00 51.30 C +ATOM 1593 CD2 LEU A 232 137.924 44.307 66.781 1.00 51.30 C +ATOM 1594 N ASP A 233 142.967 42.574 67.016 1.00 68.62 N +ATOM 1595 CA ASP A 233 144.240 41.918 66.727 1.00 68.62 C +ATOM 1596 C ASP A 233 144.227 40.511 67.298 1.00 68.62 C +ATOM 1597 O ASP A 233 144.697 39.559 66.673 1.00 68.62 O +ATOM 1598 CB ASP A 233 145.412 42.720 67.295 1.00 99.90 C +ATOM 1599 CG ASP A 233 145.831 43.867 66.389 1.00 99.90 C +ATOM 1600 OD1 ASP A 233 145.100 44.880 66.303 1.00 99.90 O +ATOM 1601 OD2 ASP A 233 146.906 43.755 65.764 1.00 99.90 O +ATOM 1602 N VAL A 234 143.658 40.379 68.483 1.00 48.08 N +ATOM 1603 CA VAL A 234 143.576 39.077 69.087 1.00 48.08 C +ATOM 1604 C VAL A 234 142.386 38.378 68.465 1.00 48.08 C +ATOM 1605 O VAL A 234 142.558 37.539 67.591 1.00 48.08 O +ATOM 1606 CB VAL A 234 143.436 39.161 70.614 1.00 72.08 C +ATOM 1607 CG1 VAL A 234 142.969 37.828 71.187 1.00 72.08 C +ATOM 1608 CG2 VAL A 234 144.773 39.559 71.237 1.00 72.08 C +ATOM 1609 N ILE A 235 141.183 38.803 68.820 1.00 99.90 N +ATOM 1610 CA ILE A 235 139.991 38.160 68.295 1.00 99.90 C +ATOM 1611 C ILE A 235 139.905 38.070 66.764 1.00 99.90 C +ATOM 1612 O ILE A 235 139.715 36.980 66.224 1.00 99.90 O +ATOM 1613 CB ILE A 235 138.723 38.800 68.863 1.00 99.90 C +ATOM 1614 CG1 ILE A 235 138.582 40.232 68.367 1.00 99.90 C +ATOM 1615 CG2 ILE A 235 138.799 38.820 70.373 1.00 99.90 C +ATOM 1616 CD1 ILE A 235 137.192 40.767 68.480 1.00 99.90 C +ATOM 1617 N GLY A 236 140.046 39.199 66.073 1.00 99.90 N +ATOM 1618 CA GLY A 236 139.978 39.229 64.617 1.00 99.90 C +ATOM 1619 C GLY A 236 138.837 40.114 64.129 1.00 99.90 C +ATOM 1620 O GLY A 236 137.786 40.164 64.777 1.00 99.90 O +ATOM 1621 N LEU A 237 139.019 40.803 62.998 1.00 99.90 N +ATOM 1622 CA LEU A 237 137.975 41.691 62.467 1.00 99.90 C +ATOM 1623 C LEU A 237 136.719 40.929 62.046 1.00 99.90 C +ATOM 1624 O LEU A 237 136.749 40.158 61.078 1.00 99.90 O +ATOM 1625 CB LEU A 237 138.488 42.503 61.274 1.00 90.97 C +ATOM 1626 CG LEU A 237 138.217 44.012 61.295 1.00 90.97 C +ATOM 1627 CD1 LEU A 237 138.150 44.532 59.888 1.00 90.97 C +ATOM 1628 CD2 LEU A 237 136.922 44.331 61.989 1.00 90.97 C +ATOM 1629 N PRO A 238 135.590 41.163 62.744 1.00 99.90 N +ATOM 1630 CA PRO A 238 134.342 40.471 62.404 1.00 99.90 C +ATOM 1631 C PRO A 238 133.850 40.985 61.059 1.00 99.90 C +ATOM 1632 O PRO A 238 134.280 42.050 60.605 1.00 99.90 O +ATOM 1633 CB PRO A 238 133.403 40.906 63.527 1.00 65.36 C +ATOM 1634 CG PRO A 238 133.843 42.341 63.763 1.00 65.36 C +ATOM 1635 CD PRO A 238 135.354 42.200 63.770 1.00 65.36 C +ATOM 1636 N GLY A 239 132.962 40.231 60.418 1.00 99.90 N +ATOM 1637 CA GLY A 239 132.428 40.664 59.138 1.00 99.90 C +ATOM 1638 C GLY A 239 131.576 41.904 59.363 1.00 99.90 C +ATOM 1639 O GLY A 239 131.053 42.096 60.471 1.00 99.90 O +ATOM 1640 N GLU A 240 131.452 42.753 58.340 1.00 99.90 N +ATOM 1641 CA GLU A 240 130.653 43.980 58.439 1.00 99.90 C +ATOM 1642 C GLU A 240 129.183 43.630 58.705 1.00 99.90 C +ATOM 1643 O GLU A 240 128.358 43.607 57.782 1.00 99.90 O +ATOM 1644 CB GLU A 240 130.798 44.833 57.162 1.00 99.90 C +ATOM 1645 CG GLU A 240 130.167 46.233 57.245 1.00 99.90 C +ATOM 1646 CD GLU A 240 130.509 47.133 56.060 1.00 99.90 C +ATOM 1647 OE1 GLU A 240 131.003 46.628 55.029 1.00 99.90 O +ATOM 1648 OE2 GLU A 240 130.283 48.359 56.163 1.00 99.90 O +ATOM 1649 N GLU A 241 128.896 43.320 59.974 1.00 99.90 N +ATOM 1650 CA GLU A 241 127.563 42.948 60.464 1.00 99.90 C +ATOM 1651 C GLU A 241 127.507 43.028 61.998 1.00 99.90 C +ATOM 1652 O GLU A 241 126.653 43.702 62.575 1.00 99.90 O +ATOM 1653 CB GLU A 241 127.173 41.534 59.996 1.00 99.90 C +ATOM 1654 CG GLU A 241 128.172 40.427 60.315 1.00 99.90 C +ATOM 1655 CD GLU A 241 127.549 39.051 60.226 1.00 99.90 C +ATOM 1656 OE1 GLU A 241 127.004 38.590 61.253 1.00 99.90 O +ATOM 1657 OE2 GLU A 241 127.592 38.438 59.135 1.00 99.90 O +ATOM 1658 N ASP A 242 128.421 42.324 62.650 1.00 99.90 N +ATOM 1659 CA ASP A 242 128.492 42.331 64.096 1.00 99.90 C +ATOM 1660 C ASP A 242 128.870 43.758 64.436 1.00 99.90 C +ATOM 1661 O ASP A 242 128.401 44.321 65.411 1.00 99.90 O +ATOM 1662 CB ASP A 242 129.585 41.369 64.557 1.00 80.02 C +ATOM 1663 CG ASP A 242 129.398 39.950 64.004 1.00 80.02 C +ATOM 1664 OD1 ASP A 242 128.272 39.404 64.134 1.00 80.02 O +ATOM 1665 OD2 ASP A 242 130.376 39.389 63.444 1.00 80.02 O +ATOM 1666 N TRP A 243 129.680 44.343 63.563 1.00 99.90 N +ATOM 1667 CA TRP A 243 130.161 45.709 63.689 1.00 99.90 C +ATOM 1668 C TRP A 243 129.204 46.659 62.953 1.00 99.90 C +ATOM 1669 O TRP A 243 129.090 46.587 61.736 1.00 99.90 O +ATOM 1670 CB TRP A 243 131.539 45.777 63.045 1.00 86.35 C +ATOM 1671 CG TRP A 243 132.254 47.039 63.261 1.00 86.35 C +ATOM 1672 CD1 TRP A 243 131.739 48.292 63.211 1.00 86.35 C +ATOM 1673 CD2 TRP A 243 133.641 47.184 63.568 1.00 86.35 C +ATOM 1674 NE1 TRP A 243 132.717 49.213 63.470 1.00 86.35 N +ATOM 1675 CE2 TRP A 243 133.896 48.559 63.692 1.00 86.35 C +ATOM 1676 CE3 TRP A 243 134.690 46.284 63.745 1.00 86.35 C +ATOM 1677 CZ2 TRP A 243 135.163 49.056 63.991 1.00 86.35 C +ATOM 1678 CZ3 TRP A 243 135.943 46.781 64.040 1.00 86.35 C +ATOM 1679 CH2 TRP A 243 136.167 48.151 64.157 1.00 86.35 C +ATOM 1680 N PRO A 244 128.533 47.577 63.673 1.00 99.90 N +ATOM 1681 CA PRO A 244 127.579 48.553 63.114 1.00 99.90 C +ATOM 1682 C PRO A 244 128.075 49.549 62.047 1.00 99.90 C +ATOM 1683 O PRO A 244 129.273 49.681 61.805 1.00 99.90 O +ATOM 1684 CB PRO A 244 127.076 49.281 64.362 1.00 99.90 C +ATOM 1685 CG PRO A 244 127.138 48.221 65.408 1.00 99.90 C +ATOM 1686 CD PRO A 244 128.497 47.614 65.144 1.00 99.90 C +ATOM 1687 N ARG A 245 127.121 50.270 61.452 1.00 99.90 N +ATOM 1688 CA ARG A 245 127.360 51.269 60.398 1.00 99.90 C +ATOM 1689 C ARG A 245 127.725 52.651 60.968 1.00 99.90 C +ATOM 1690 O ARG A 245 128.813 53.175 60.724 1.00 99.90 O +ATOM 1691 CB ARG A 245 126.086 51.370 59.502 1.00 99.90 C +ATOM 1692 CG ARG A 245 126.090 52.359 58.274 1.00 99.90 C +ATOM 1693 CD ARG A 245 125.455 53.811 58.512 1.00 99.90 C +ATOM 1694 NE ARG A 245 123.978 53.910 58.618 1.00 99.90 N +ATOM 1695 CZ ARG A 245 123.284 55.058 58.627 1.00 99.90 C +ATOM 1696 NH1 ARG A 245 123.918 56.218 58.524 1.00 99.90 N +ATOM 1697 NH2 ARG A 245 121.960 55.064 58.799 1.00 99.90 N +ATOM 1698 N ASP A 246 126.806 53.203 61.758 1.00 99.90 N +ATOM 1699 CA ASP A 246 126.932 54.539 62.344 1.00 99.90 C +ATOM 1700 C ASP A 246 128.124 54.775 63.241 1.00 99.90 C +ATOM 1701 O ASP A 246 128.901 55.711 63.036 1.00 99.90 O +ATOM 1702 CB ASP A 246 125.630 54.919 63.100 1.00 97.28 C +ATOM 1703 CG ASP A 246 125.625 54.490 64.580 1.00 97.28 C +ATOM 1704 OD1 ASP A 246 125.289 53.324 64.891 1.00 97.28 O +ATOM 1705 OD2 ASP A 246 125.970 55.334 65.431 1.00 97.28 O +ATOM 1706 N VAL A 247 128.202 53.923 64.257 1.00 99.90 N +ATOM 1707 CA VAL A 247 129.204 53.950 65.301 1.00 99.90 C +ATOM 1708 C VAL A 247 130.566 54.501 64.882 1.00 99.90 C +ATOM 1709 O VAL A 247 131.045 54.233 63.776 1.00 99.90 O +ATOM 1710 CB VAL A 247 129.304 52.558 65.941 1.00 99.90 C +ATOM 1711 CG1 VAL A 247 130.008 51.580 65.010 1.00 99.90 C +ATOM 1712 CG2 VAL A 247 129.953 52.647 67.278 1.00 99.90 C +ATOM 1713 N ALA A 248 131.167 55.262 65.796 1.00 99.90 N +ATOM 1714 CA ALA A 248 132.453 55.928 65.592 1.00 99.90 C +ATOM 1715 C ALA A 248 133.404 55.374 64.507 1.00 99.90 C +ATOM 1716 O ALA A 248 133.261 55.691 63.322 1.00 99.90 O +ATOM 1717 CB ALA A 248 133.182 56.098 66.941 1.00 99.90 C +ATOM 1718 N LEU A 249 134.363 54.544 64.906 1.00 99.90 N +ATOM 1719 CA LEU A 249 135.347 53.989 63.973 1.00 99.90 C +ATOM 1720 C LEU A 249 134.774 52.921 63.022 1.00 99.90 C +ATOM 1721 O LEU A 249 134.285 51.886 63.477 1.00 99.90 O +ATOM 1722 CB LEU A 249 136.538 53.415 64.764 1.00 99.90 C +ATOM 1723 CG LEU A 249 137.238 54.254 65.853 1.00 99.90 C +ATOM 1724 CD1 LEU A 249 137.404 55.694 65.380 1.00 99.90 C +ATOM 1725 CD2 LEU A 249 136.469 54.223 67.171 1.00 99.90 C +ATOM 1726 N PRO A 250 134.826 53.160 61.691 1.00 99.90 N +ATOM 1727 CA PRO A 250 134.307 52.196 60.701 1.00 99.90 C +ATOM 1728 C PRO A 250 135.076 50.854 60.656 1.00 99.90 C +ATOM 1729 O PRO A 250 136.312 50.845 60.681 1.00 99.90 O +ATOM 1730 CB PRO A 250 134.420 52.972 59.378 1.00 99.90 C +ATOM 1731 CG PRO A 250 135.563 53.920 59.620 1.00 99.90 C +ATOM 1732 CD PRO A 250 135.293 54.393 61.028 1.00 99.90 C +ATOM 1733 N ARG A 251 134.342 49.737 60.568 1.00 86.17 N +ATOM 1734 CA ARG A 251 134.919 48.376 60.530 1.00 86.17 C +ATOM 1735 C ARG A 251 136.169 48.288 59.661 1.00 86.17 C +ATOM 1736 O ARG A 251 137.231 47.856 60.117 1.00 86.17 O +ATOM 1737 CB ARG A 251 133.868 47.365 60.036 1.00 99.90 C +ATOM 1738 CG ARG A 251 134.286 45.889 60.054 1.00 99.90 C +ATOM 1739 CD ARG A 251 134.791 45.392 58.692 1.00 99.90 C +ATOM 1740 NE ARG A 251 134.994 43.939 58.672 1.00 99.90 N +ATOM 1741 CZ ARG A 251 135.864 43.296 57.890 1.00 99.90 C +ATOM 1742 NH1 ARG A 251 136.634 43.968 57.044 1.00 99.90 N +ATOM 1743 NH2 ARG A 251 135.970 41.972 57.954 1.00 99.90 N +ATOM 1744 N GLN A 252 136.039 48.771 58.430 1.00 99.90 N +ATOM 1745 CA GLN A 252 137.114 48.760 57.442 1.00 99.90 C +ATOM 1746 C GLN A 252 138.422 49.465 57.840 1.00 99.90 C +ATOM 1747 O GLN A 252 139.491 49.128 57.324 1.00 99.90 O +ATOM 1748 CB GLN A 252 136.580 49.302 56.105 1.00 99.90 C +ATOM 1749 CG GLN A 252 135.542 48.384 55.431 1.00 99.90 C +ATOM 1750 CD GLN A 252 134.296 49.121 54.954 1.00 99.90 C +ATOM 1751 OE1 GLN A 252 133.757 49.974 55.661 1.00 99.90 O +ATOM 1752 NE2 GLN A 252 133.820 48.773 53.764 1.00 99.90 N +ATOM 1753 N ALA A 253 138.350 50.414 58.771 1.00 99.90 N +ATOM 1754 CA ALA A 253 139.542 51.141 59.221 1.00 99.90 C +ATOM 1755 C ALA A 253 140.501 50.211 59.963 1.00 99.90 C +ATOM 1756 O ALA A 253 141.722 50.412 59.976 1.00 99.90 O +ATOM 1757 CB ALA A 253 139.140 52.303 60.111 1.00 99.90 C +ATOM 1758 N PHE A 254 139.937 49.195 60.598 1.00 78.08 N +ATOM 1759 CA PHE A 254 140.733 48.229 61.316 1.00 78.08 C +ATOM 1760 C PHE A 254 140.858 47.013 60.424 1.00 78.08 C +ATOM 1761 O PHE A 254 140.525 45.908 60.840 1.00 78.08 O +ATOM 1762 CB PHE A 254 140.044 47.843 62.614 1.00 76.58 C +ATOM 1763 CG PHE A 254 139.868 48.980 63.545 1.00 76.58 C +ATOM 1764 CD1 PHE A 254 140.910 49.386 64.361 1.00 76.58 C +ATOM 1765 CD2 PHE A 254 138.662 49.666 63.595 1.00 76.58 C +ATOM 1766 CE1 PHE A 254 140.756 50.465 65.218 1.00 76.58 C +ATOM 1767 CE2 PHE A 254 138.491 50.747 64.448 1.00 76.58 C +ATOM 1768 CZ PHE A 254 139.541 51.149 65.263 1.00 76.58 C +ATOM 1769 N HIS A 255 141.242 47.253 59.169 1.00 99.90 N +ATOM 1770 CA HIS A 255 141.446 46.219 58.145 1.00 99.90 C +ATOM 1771 C HIS A 255 141.488 44.781 58.659 1.00 99.90 C +ATOM 1772 O HIS A 255 142.373 44.445 59.450 1.00 99.90 O +ATOM 1773 CB HIS A 255 142.738 46.515 57.385 1.00 99.90 C +ATOM 1774 CG HIS A 255 143.915 46.779 58.274 1.00 99.90 C +ATOM 1775 ND1 HIS A 255 145.126 47.218 57.789 1.00 99.90 N +ATOM 1776 CD2 HIS A 255 144.065 46.673 59.617 1.00 99.90 C +ATOM 1777 CE1 HIS A 255 145.973 47.371 58.792 1.00 99.90 C +ATOM 1778 NE2 HIS A 255 145.353 47.045 59.913 1.00 99.90 N +ATOM 1779 N SER A 256 140.577 43.947 58.142 1.00 99.90 N +ATOM 1780 CA SER A 256 140.400 42.525 58.496 1.00 99.90 C +ATOM 1781 C SER A 256 141.519 41.791 59.243 1.00 99.90 C +ATOM 1782 O SER A 256 141.257 40.873 60.025 1.00 99.90 O +ATOM 1783 CB SER A 256 139.949 41.720 57.264 1.00 99.90 C +ATOM 1784 OG SER A 256 140.626 42.126 56.082 1.00 99.90 O +ATOM 1785 N LYS A 257 142.753 42.199 58.962 1.00 99.90 N +ATOM 1786 CA LYS A 257 143.978 41.670 59.551 1.00 99.90 C +ATOM 1787 C LYS A 257 143.850 40.923 60.872 1.00 99.90 C +ATOM 1788 O LYS A 257 143.375 41.470 61.871 1.00 99.90 O +ATOM 1789 CB LYS A 257 145.005 42.801 59.714 1.00 99.90 C +ATOM 1790 CG LYS A 257 145.185 43.714 58.491 1.00 99.90 C +ATOM 1791 CD LYS A 257 145.714 43.009 57.231 1.00 99.90 C +ATOM 1792 CE LYS A 257 144.617 42.327 56.408 1.00 99.90 C +ATOM 1793 NZ LYS A 257 143.525 43.253 55.991 1.00 99.90 N +ATOM 1794 N SER A 258 144.312 39.673 60.843 1.00 99.90 N +ATOM 1795 CA SER A 258 144.347 38.764 61.983 1.00 99.90 C +ATOM 1796 C SER A 258 143.159 37.848 62.211 1.00 99.90 C +ATOM 1797 O SER A 258 142.122 37.946 61.555 1.00 99.90 O +ATOM 1798 CB SER A 258 144.677 39.508 63.279 1.00 99.90 C +ATOM 1799 OG SER A 258 145.842 40.293 63.118 1.00 99.90 O +ATOM 1800 N ALA A 259 143.387 36.920 63.132 1.00 99.90 N +ATOM 1801 CA ALA A 259 142.447 35.899 63.580 1.00 99.90 C +ATOM 1802 C ALA A 259 143.324 35.057 64.508 1.00 99.90 C +ATOM 1803 O ALA A 259 143.338 33.827 64.439 1.00 99.90 O +ATOM 1804 CB ALA A 259 141.946 35.057 62.397 1.00 99.90 C +ATOM 1805 N GLN A 260 144.084 35.756 65.350 1.00 99.90 N +ATOM 1806 CA GLN A 260 145.021 35.141 66.285 1.00 99.90 C +ATOM 1807 C GLN A 260 144.408 34.128 67.252 1.00 99.90 C +ATOM 1808 O GLN A 260 143.365 34.373 67.862 1.00 99.90 O +ATOM 1809 CB GLN A 260 145.777 36.229 67.056 1.00 99.90 C +ATOM 1810 CG GLN A 260 146.830 36.958 66.229 1.00 99.90 C +ATOM 1811 CD GLN A 260 148.008 36.068 65.873 1.00 99.90 C +ATOM 1812 OE1 GLN A 260 148.146 34.973 66.401 1.00 99.90 O +ATOM 1813 NE2 GLN A 260 148.860 36.535 64.970 1.00 99.90 N +ATOM 1814 N PRO A 261 145.045 32.952 67.377 1.00 62.91 N +ATOM 1815 CA PRO A 261 144.608 31.859 68.255 1.00 62.91 C +ATOM 1816 C PRO A 261 144.693 32.225 69.732 1.00 62.91 C +ATOM 1817 O PRO A 261 145.733 32.690 70.209 1.00 62.91 O +ATOM 1818 CB PRO A 261 145.584 30.736 67.911 1.00 78.82 C +ATOM 1819 CG PRO A 261 145.962 31.033 66.485 1.00 78.82 C +ATOM 1820 CD PRO A 261 146.158 32.518 66.519 1.00 78.82 C +ATOM 1821 N ILE A 262 143.603 31.969 70.454 1.00 81.54 N +ATOM 1822 CA ILE A 262 143.512 32.264 71.884 1.00 81.54 C +ATOM 1823 C ILE A 262 144.695 31.708 72.665 1.00 81.54 C +ATOM 1824 O ILE A 262 145.334 32.424 73.447 1.00 81.54 O +ATOM 1825 CB ILE A 262 142.149 31.758 72.476 1.00 62.94 C +ATOM 1826 CG1 ILE A 262 141.198 32.942 72.658 1.00 62.94 C +ATOM 1827 CG2 ILE A 262 142.325 31.054 73.813 1.00 62.94 C +ATOM 1828 CD1 ILE A 262 141.727 34.048 73.600 1.00 62.94 C +ATOM 1829 N GLU A 263 145.009 30.443 72.402 1.00 86.98 N +ATOM 1830 CA GLU A 263 146.110 29.747 73.066 1.00 86.98 C +ATOM 1831 C GLU A 263 147.434 30.532 73.094 1.00 86.98 C +ATOM 1832 O GLU A 263 148.206 30.435 74.050 1.00 86.98 O +ATOM 1833 CB GLU A 263 146.294 28.338 72.462 1.00 99.90 C +ATOM 1834 CG GLU A 263 146.065 28.211 70.937 1.00 99.90 C +ATOM 1835 CD GLU A 263 144.624 27.870 70.545 1.00 99.90 C +ATOM 1836 OE1 GLU A 263 144.235 26.684 70.649 1.00 99.90 O +ATOM 1837 OE2 GLU A 263 143.889 28.782 70.105 1.00 99.90 O +ATOM 1838 N LYS A 264 147.644 31.376 72.090 1.00 69.82 N +ATOM 1839 CA LYS A 264 148.860 32.160 71.999 1.00 69.82 C +ATOM 1840 C LYS A 264 149.043 33.095 73.177 1.00 69.82 C +ATOM 1841 O LYS A 264 150.178 33.410 73.528 1.00 69.82 O +ATOM 1842 CB LYS A 264 148.896 32.954 70.689 1.00 99.90 C +ATOM 1843 CG LYS A 264 149.147 32.091 69.472 1.00 99.90 C +ATOM 1844 CD LYS A 264 149.156 32.893 68.186 1.00 99.90 C +ATOM 1845 CE LYS A 264 149.462 31.988 66.991 1.00 99.90 C +ATOM 1846 NZ LYS A 264 149.257 32.639 65.663 1.00 99.90 N +ATOM 1847 N PHE A 265 147.948 33.533 73.800 1.00 69.59 N +ATOM 1848 CA PHE A 265 148.060 34.462 74.929 1.00 69.59 C +ATOM 1849 C PHE A 265 147.413 34.032 76.233 1.00 69.59 C +ATOM 1850 O PHE A 265 147.545 34.726 77.242 1.00 69.59 O +ATOM 1851 CB PHE A 265 147.593 35.877 74.559 1.00 94.81 C +ATOM 1852 CG PHE A 265 147.026 35.979 73.191 1.00 94.81 C +ATOM 1853 CD1 PHE A 265 145.777 35.439 72.911 1.00 94.81 C +ATOM 1854 CD2 PHE A 265 147.764 36.557 72.165 1.00 94.81 C +ATOM 1855 CE1 PHE A 265 145.269 35.461 71.629 1.00 94.81 C +ATOM 1856 CE2 PHE A 265 147.268 36.586 70.878 1.00 94.81 C +ATOM 1857 CZ PHE A 265 146.014 36.034 70.604 1.00 94.81 C +ATOM 1858 N VAL A 266 146.695 32.917 76.221 1.00 46.47 N +ATOM 1859 CA VAL A 266 146.077 32.420 77.448 1.00 46.47 C +ATOM 1860 C VAL A 266 146.562 30.970 77.560 1.00 46.47 C +ATOM 1861 O VAL A 266 145.775 30.029 77.462 1.00 46.47 O +ATOM 1862 CB VAL A 266 144.514 32.460 77.374 1.00 64.83 C +ATOM 1863 CG1 VAL A 266 143.911 32.222 78.751 1.00 64.83 C +ATOM 1864 CG2 VAL A 266 144.022 33.795 76.811 1.00 64.83 C +ATOM 1865 N THR A 267 147.868 30.787 77.747 1.00 60.24 N +ATOM 1866 CA THR A 267 148.453 29.447 77.813 1.00 60.24 C +ATOM 1867 C THR A 267 147.895 28.549 78.883 1.00 60.24 C +ATOM 1868 O THR A 267 147.271 29.009 79.824 1.00 60.24 O +ATOM 1869 CB THR A 267 149.947 29.510 78.041 1.00 75.76 C +ATOM 1870 OG1 THR A 267 150.438 30.805 77.668 1.00 75.76 O +ATOM 1871 CG2 THR A 267 150.622 28.442 77.205 1.00 75.76 C +ATOM 1872 N ASP A 268 148.173 27.262 78.775 1.00 99.90 N +ATOM 1873 CA ASP A 268 147.719 26.326 79.787 1.00 99.90 C +ATOM 1874 C ASP A 268 146.241 26.495 80.099 1.00 99.90 C +ATOM 1875 O ASP A 268 145.810 26.178 81.207 1.00 99.90 O +ATOM 1876 CB ASP A 268 148.521 26.508 81.086 1.00 99.90 C +ATOM 1877 CG ASP A 268 149.717 27.446 80.924 1.00 99.90 C +ATOM 1878 OD1 ASP A 268 150.677 27.073 80.219 1.00 99.90 O +ATOM 1879 OD2 ASP A 268 149.679 28.566 81.483 1.00 99.90 O +ATOM 1880 N ILE A 269 145.479 27.062 79.167 1.00 49.53 N +ATOM 1881 CA ILE A 269 144.036 27.217 79.400 1.00 49.53 C +ATOM 1882 C ILE A 269 143.316 25.979 78.825 1.00 49.53 C +ATOM 1883 O ILE A 269 143.328 25.753 77.610 1.00 49.53 O +ATOM 1884 CB ILE A 269 143.437 28.547 78.786 1.00 61.76 C +ATOM 1885 CG1 ILE A 269 141.984 28.739 79.234 1.00 61.76 C +ATOM 1886 CG2 ILE A 269 143.438 28.511 77.270 1.00 61.76 C +ATOM 1887 CD1 ILE A 269 141.318 29.973 78.672 1.00 61.76 C +ATOM 1888 N ASP A 270 142.714 25.154 79.680 1.00 61.93 N +ATOM 1889 CA ASP A 270 142.037 23.954 79.178 1.00 61.93 C +ATOM 1890 C ASP A 270 140.920 24.237 78.152 1.00 61.93 C +ATOM 1891 O ASP A 270 140.369 25.343 78.092 1.00 61.93 O +ATOM 1892 CB ASP A 270 141.502 23.101 80.330 1.00 99.90 C +ATOM 1893 CG ASP A 270 140.206 23.632 80.886 1.00 99.90 C +ATOM 1894 OD1 ASP A 270 139.139 23.302 80.310 1.00 99.90 O +ATOM 1895 OD2 ASP A 270 140.265 24.393 81.881 1.00 99.90 O +ATOM 1896 N GLU A 271 140.513 23.188 77.441 1.00 79.39 N +ATOM 1897 CA GLU A 271 139.499 23.277 76.384 1.00 79.39 C +ATOM 1898 C GLU A 271 138.231 24.064 76.691 1.00 79.39 C +ATOM 1899 O GLU A 271 137.969 25.097 76.068 1.00 79.39 O +ATOM 1900 CB GLU A 271 139.159 21.879 75.850 1.00 99.90 C +ATOM 1901 CG GLU A 271 140.386 21.022 75.476 1.00 99.90 C +ATOM 1902 CD GLU A 271 141.670 21.835 75.256 1.00 99.90 C +ATOM 1903 OE1 GLU A 271 141.717 22.664 74.318 1.00 99.90 O +ATOM 1904 OE2 GLU A 271 142.630 21.647 76.040 1.00 99.90 O +ATOM 1905 N LEU A 272 137.460 23.604 77.664 1.00 67.17 N +ATOM 1906 CA LEU A 272 136.228 24.299 78.014 1.00 67.17 C +ATOM 1907 C LEU A 272 136.468 25.759 78.431 1.00 67.17 C +ATOM 1908 O LEU A 272 135.560 26.593 78.367 1.00 67.17 O +ATOM 1909 CB LEU A 272 135.484 23.551 79.121 1.00 99.90 C +ATOM 1910 CG LEU A 272 135.120 22.098 78.825 1.00 99.90 C +ATOM 1911 CD1 LEU A 272 134.352 21.504 79.998 1.00 99.90 C +ATOM 1912 CD2 LEU A 272 134.305 22.038 77.549 1.00 99.90 C +ATOM 1913 N GLY A 273 137.680 26.052 78.884 1.00 81.17 N +ATOM 1914 CA GLY A 273 137.997 27.407 79.286 1.00 81.17 C +ATOM 1915 C GLY A 273 138.156 28.212 78.024 1.00 81.17 C +ATOM 1916 O GLY A 273 137.484 29.222 77.838 1.00 81.17 O +ATOM 1917 N LYS A 274 139.013 27.713 77.137 1.00 78.34 N +ATOM 1918 CA LYS A 274 139.297 28.327 75.844 1.00 78.34 C +ATOM 1919 C LYS A 274 137.937 28.607 75.226 1.00 78.34 C +ATOM 1920 O LYS A 274 137.714 29.643 74.594 1.00 78.34 O +ATOM 1921 CB LYS A 274 140.071 27.319 74.993 1.00 99.90 C +ATOM 1922 CG LYS A 274 140.888 27.890 73.854 1.00 99.90 C +ATOM 1923 CD LYS A 274 140.058 28.187 72.622 1.00 99.90 C +ATOM 1924 CE LYS A 274 140.888 28.016 71.357 1.00 99.90 C +ATOM 1925 NZ LYS A 274 141.294 26.589 71.150 1.00 99.90 N +ATOM 1926 N ASP A 275 137.021 27.684 75.492 1.00 77.20 N +ATOM 1927 CA ASP A 275 135.664 27.768 75.013 1.00 77.20 C +ATOM 1928 C ASP A 275 134.954 28.948 75.664 1.00 77.20 C +ATOM 1929 O ASP A 275 134.874 30.008 75.051 1.00 77.20 O +ATOM 1930 CB ASP A 275 134.918 26.460 75.292 1.00 99.90 C +ATOM 1931 CG ASP A 275 133.703 26.275 74.398 1.00 99.90 C +ATOM 1932 OD1 ASP A 275 133.760 26.686 73.220 1.00 99.90 O +ATOM 1933 OD2 ASP A 275 132.694 25.704 74.867 1.00 99.90 O +ATOM 1934 N LEU A 276 134.510 28.804 76.918 1.00 51.33 N +ATOM 1935 CA LEU A 276 133.781 29.888 77.611 1.00 51.33 C +ATOM 1936 C LEU A 276 134.426 31.274 77.471 1.00 51.33 C +ATOM 1937 O LEU A 276 133.722 32.288 77.427 1.00 51.33 O +ATOM 1938 CB LEU A 276 133.556 29.568 79.091 1.00 51.81 C +ATOM 1939 CG LEU A 276 132.809 30.717 79.783 1.00 51.81 C +ATOM 1940 CD1 LEU A 276 131.392 30.333 80.176 1.00 51.81 C +ATOM 1941 CD2 LEU A 276 133.600 31.177 80.985 1.00 51.81 C +ATOM 1942 N LEU A 277 135.758 31.301 77.391 1.00 63.07 N +ATOM 1943 CA LEU A 277 136.527 32.539 77.221 1.00 63.07 C +ATOM 1944 C LEU A 277 136.050 33.249 75.944 1.00 63.07 C +ATOM 1945 O LEU A 277 135.518 34.360 76.011 1.00 63.07 O +ATOM 1946 CB LEU A 277 138.045 32.245 77.129 1.00 60.98 C +ATOM 1947 CG LEU A 277 139.028 33.405 76.886 1.00 60.98 C +ATOM 1948 CD1 LEU A 277 139.013 34.355 78.062 1.00 60.98 C +ATOM 1949 CD2 LEU A 277 140.433 32.876 76.687 1.00 60.98 C +ATOM 1950 N LEU A 278 136.181 32.586 74.793 1.00 74.62 N +ATOM 1951 CA LEU A 278 135.756 33.165 73.513 1.00 74.62 C +ATOM 1952 C LEU A 278 134.258 33.487 73.489 1.00 74.62 C +ATOM 1953 O LEU A 278 133.844 34.508 72.928 1.00 74.62 O +ATOM 1954 CB LEU A 278 136.173 32.254 72.358 1.00 83.19 C +ATOM 1955 CG LEU A 278 137.701 32.302 72.226 1.00 83.19 C +ATOM 1956 CD1 LEU A 278 138.243 31.211 71.329 1.00 83.19 C +ATOM 1957 CD2 LEU A 278 138.107 33.669 71.703 1.00 83.19 C +ATOM 1958 N LYS A 279 133.474 32.663 74.186 1.00 98.35 N +ATOM 1959 CA LYS A 279 132.029 32.851 74.290 1.00 98.35 C +ATOM 1960 C LYS A 279 131.691 34.163 75.015 1.00 98.35 C +ATOM 1961 O LYS A 279 130.610 34.719 74.816 1.00 98.35 O +ATOM 1962 CB LYS A 279 131.365 31.659 75.004 1.00 99.90 C +ATOM 1963 CG LYS A 279 131.162 30.391 74.145 1.00 99.90 C +ATOM 1964 CD LYS A 279 130.438 29.265 74.932 1.00 99.90 C +ATOM 1965 CE LYS A 279 130.126 28.016 74.076 1.00 99.90 C +ATOM 1966 NZ LYS A 279 129.456 26.893 74.829 1.00 99.90 N +ATOM 1967 N CYS A 280 132.602 34.643 75.864 1.00 63.15 N +ATOM 1968 CA CYS A 280 132.404 35.899 76.600 1.00 63.15 C +ATOM 1969 C CYS A 280 133.079 37.018 75.819 1.00 63.15 C +ATOM 1970 O CYS A 280 132.606 38.158 75.773 1.00 63.15 O +ATOM 1971 CB CYS A 280 133.072 35.842 77.984 1.00 71.94 C +ATOM 1972 SG CYS A 280 132.588 34.502 79.067 1.00 71.94 S +ATOM 1973 N LEU A 281 134.212 36.674 75.222 1.00 60.27 N +ATOM 1974 CA LEU A 281 135.031 37.618 74.483 1.00 60.27 C +ATOM 1975 C LEU A 281 134.601 37.663 73.030 1.00 60.27 C +ATOM 1976 O LEU A 281 135.422 37.579 72.115 1.00 60.27 O +ATOM 1977 CB LEU A 281 136.499 37.187 74.603 1.00 48.51 C +ATOM 1978 CG LEU A 281 137.661 38.190 74.543 1.00 48.51 C +ATOM 1979 CD1 LEU A 281 137.703 39.036 75.815 1.00 48.51 C +ATOM 1980 CD2 LEU A 281 138.993 37.429 74.377 1.00 48.51 C +ATOM 1981 N THR A 282 133.310 37.821 72.810 1.00 99.38 N +ATOM 1982 CA THR A 282 132.817 37.868 71.451 1.00 99.38 C +ATOM 1983 C THR A 282 132.287 39.250 71.115 1.00 99.38 C +ATOM 1984 O THR A 282 131.598 39.872 71.922 1.00 99.38 O +ATOM 1985 CB THR A 282 131.788 36.775 71.216 1.00 99.90 C +ATOM 1986 OG1 THR A 282 131.264 36.345 72.479 1.00 99.90 O +ATOM 1987 CG2 THR A 282 132.451 35.593 70.506 1.00 99.90 C +ATOM 1988 N PHE A 283 132.642 39.722 69.922 1.00 82.18 N +ATOM 1989 CA PHE A 283 132.275 41.054 69.434 1.00 82.18 C +ATOM 1990 C PHE A 283 130.799 41.510 69.525 1.00 82.18 C +ATOM 1991 O PHE A 283 130.512 42.573 70.100 1.00 82.18 O +ATOM 1992 CB PHE A 283 132.814 41.243 68.003 1.00 89.50 C +ATOM 1993 CG PHE A 283 133.091 42.682 67.637 1.00 89.50 C +ATOM 1994 CD1 PHE A 283 132.051 43.571 67.383 1.00 89.50 C +ATOM 1995 CD2 PHE A 283 134.394 43.151 67.546 1.00 89.50 C +ATOM 1996 CE1 PHE A 283 132.307 44.912 67.042 1.00 89.50 C +ATOM 1997 CE2 PHE A 283 134.660 44.489 67.206 1.00 89.50 C +ATOM 1998 CZ PHE A 283 133.614 45.369 66.954 1.00 89.50 C +ATOM 1999 N ASN A 284 129.874 40.730 68.959 1.00 99.90 N +ATOM 2000 CA ASN A 284 128.441 41.084 68.943 1.00 99.90 C +ATOM 2001 C ASN A 284 127.722 40.798 70.272 1.00 99.90 C +ATOM 2002 O ASN A 284 127.302 39.672 70.513 1.00 99.90 O +ATOM 2003 CB ASN A 284 127.742 40.339 67.793 1.00 93.06 C +ATOM 2004 CG ASN A 284 126.365 40.897 67.472 1.00 93.06 C +ATOM 2005 OD1 ASN A 284 125.631 41.349 68.360 1.00 93.06 O +ATOM 2006 ND2 ASN A 284 125.996 40.842 66.197 1.00 93.06 N +ATOM 2007 N PRO A 285 127.481 41.839 71.098 1.00 74.33 N +ATOM 2008 CA PRO A 285 126.811 41.710 72.402 1.00 74.33 C +ATOM 2009 C PRO A 285 125.649 40.746 72.469 1.00 74.33 C +ATOM 2010 O PRO A 285 125.600 39.890 73.350 1.00 74.33 O +ATOM 2011 CB PRO A 285 126.362 43.143 72.724 1.00 46.06 C +ATOM 2012 CG PRO A 285 126.396 43.839 71.395 1.00 46.06 C +ATOM 2013 CD PRO A 285 127.632 43.259 70.753 1.00 46.06 C +ATOM 2014 N ALA A 286 124.715 40.879 71.541 1.00 89.58 N +ATOM 2015 CA ALA A 286 123.570 39.996 71.549 1.00 89.58 C +ATOM 2016 C ALA A 286 124.012 38.555 71.295 1.00 89.58 C +ATOM 2017 O ALA A 286 123.411 37.617 71.829 1.00 89.58 O +ATOM 2018 CB ALA A 286 122.566 40.449 70.524 1.00 99.90 C +ATOM 2019 N LYS A 287 125.065 38.399 70.488 1.00 99.90 N +ATOM 2020 CA LYS A 287 125.637 37.088 70.139 1.00 99.90 C +ATOM 2021 C LYS A 287 126.545 36.535 71.253 1.00 99.90 C +ATOM 2022 O LYS A 287 126.667 35.310 71.443 1.00 99.90 O +ATOM 2023 CB LYS A 287 126.466 37.188 68.841 1.00 99.90 C +ATOM 2024 CG LYS A 287 125.687 37.381 67.533 1.00 99.90 C +ATOM 2025 CD LYS A 287 126.632 37.320 66.321 1.00 99.90 C +ATOM 2026 CE LYS A 287 125.886 37.162 64.996 1.00 99.90 C +ATOM 2027 NZ LYS A 287 126.785 36.676 63.901 1.00 99.90 N +ATOM 2028 N ARG A 288 127.218 37.458 71.936 1.00 99.90 N +ATOM 2029 CA ARG A 288 128.136 37.148 73.021 1.00 99.90 C +ATOM 2030 C ARG A 288 127.354 36.437 74.103 1.00 99.90 C +ATOM 2031 O ARG A 288 126.177 36.733 74.303 1.00 99.90 O +ATOM 2032 CB ARG A 288 128.715 38.440 73.577 1.00 81.33 C +ATOM 2033 CG ARG A 288 129.606 38.230 74.765 1.00 81.33 C +ATOM 2034 CD ARG A 288 129.988 39.543 75.395 1.00 81.33 C +ATOM 2035 NE ARG A 288 130.705 40.391 74.457 1.00 81.33 N +ATOM 2036 CZ ARG A 288 130.276 41.582 74.060 1.00 81.33 C +ATOM 2037 NH1 ARG A 288 129.130 42.063 74.526 1.00 81.33 N +ATOM 2038 NH2 ARG A 288 130.995 42.299 73.204 1.00 81.33 N +ATOM 2039 N ILE A 289 128.003 35.528 74.823 1.00 60.25 N +ATOM 2040 CA ILE A 289 127.310 34.781 75.868 1.00 60.25 C +ATOM 2041 C ILE A 289 126.743 35.626 77.021 1.00 60.25 C +ATOM 2042 O ILE A 289 127.231 36.725 77.303 1.00 60.25 O +ATOM 2043 CB ILE A 289 128.175 33.673 76.463 1.00 68.93 C +ATOM 2044 CG1 ILE A 289 127.292 32.759 77.320 1.00 68.93 C +ATOM 2045 CG2 ILE A 289 129.265 34.270 77.317 1.00 68.93 C +ATOM 2046 CD1 ILE A 289 128.044 31.804 78.184 1.00 68.93 C +ATOM 2047 N SER A 290 125.693 35.111 77.666 1.00 66.28 N +ATOM 2048 CA SER A 290 125.066 35.807 78.783 1.00 66.28 C +ATOM 2049 C SER A 290 125.716 35.365 80.071 1.00 66.28 C +ATOM 2050 O SER A 290 126.505 34.409 80.102 1.00 66.28 O +ATOM 2051 CB SER A 290 123.540 35.554 78.846 1.00 99.90 C +ATOM 2052 OG SER A 290 123.174 34.385 79.570 1.00 99.90 O +ATOM 2053 N ALA A 291 125.417 36.107 81.126 1.00 69.84 N +ATOM 2054 CA ALA A 291 125.946 35.794 82.430 1.00 69.84 C +ATOM 2055 C ALA A 291 125.296 34.489 82.806 1.00 69.84 C +ATOM 2056 O ALA A 291 125.945 33.445 82.842 1.00 69.84 O +ATOM 2057 CB ALA A 291 125.555 36.867 83.413 1.00 80.61 C +ATOM 2058 N TYR A 292 123.976 34.555 82.945 1.00 92.75 N +ATOM 2059 CA TYR A 292 123.174 33.414 83.327 1.00 92.75 C +ATOM 2060 C TYR A 292 123.651 32.124 82.694 1.00 92.75 C +ATOM 2061 O TYR A 292 124.005 31.167 83.382 1.00 92.75 O +ATOM 2062 CB TYR A 292 121.716 33.645 82.968 1.00 99.90 C +ATOM 2063 CG TYR A 292 120.902 32.479 83.402 1.00 99.90 C +ATOM 2064 CD1 TYR A 292 120.574 32.311 84.743 1.00 99.90 C +ATOM 2065 CD2 TYR A 292 120.557 31.479 82.500 1.00 99.90 C +ATOM 2066 CE1 TYR A 292 119.937 31.175 85.181 1.00 99.90 C +ATOM 2067 CE2 TYR A 292 119.921 30.336 82.924 1.00 99.90 C +ATOM 2068 CZ TYR A 292 119.615 30.190 84.267 1.00 99.90 C +ATOM 2069 OH TYR A 292 119.000 29.045 84.703 1.00 99.90 O +ATOM 2070 N SER A 293 123.664 32.110 81.374 1.00 99.90 N +ATOM 2071 CA SER A 293 124.104 30.938 80.661 1.00 99.90 C +ATOM 2072 C SER A 293 125.579 30.614 80.948 1.00 99.90 C +ATOM 2073 O SER A 293 125.925 29.453 81.157 1.00 99.90 O +ATOM 2074 CB SER A 293 123.840 31.117 79.163 1.00 99.90 C +ATOM 2075 OG SER A 293 124.272 32.388 78.709 1.00 99.90 O +ATOM 2076 N ALA A 294 126.434 31.631 81.029 1.00 73.77 N +ATOM 2077 CA ALA A 294 127.856 31.402 81.280 1.00 73.77 C +ATOM 2078 C ALA A 294 128.077 30.510 82.485 1.00 73.77 C +ATOM 2079 O ALA A 294 128.988 29.687 82.496 1.00 73.77 O +ATOM 2080 CB ALA A 294 128.588 32.711 81.447 1.00 99.90 C +ATOM 2081 N LEU A 295 127.222 30.665 83.485 1.00 82.53 N +ATOM 2082 CA LEU A 295 127.312 29.853 84.678 1.00 82.53 C +ATOM 2083 C LEU A 295 127.147 28.398 84.310 1.00 82.53 C +ATOM 2084 O LEU A 295 127.811 27.532 84.858 1.00 82.53 O +ATOM 2085 CB LEU A 295 126.198 30.209 85.650 1.00 71.95 C +ATOM 2086 CG LEU A 295 126.424 31.434 86.517 1.00 71.95 C +ATOM 2087 CD1 LEU A 295 127.754 31.279 87.191 1.00 71.95 C +ATOM 2088 CD2 LEU A 295 126.409 32.689 85.696 1.00 71.95 C +ATOM 2089 N SER A 296 126.250 28.134 83.373 1.00 92.58 N +ATOM 2090 CA SER A 296 125.944 26.773 82.949 1.00 92.58 C +ATOM 2091 C SER A 296 126.962 26.078 82.040 1.00 92.58 C +ATOM 2092 O SER A 296 126.989 24.854 81.962 1.00 92.58 O +ATOM 2093 CB SER A 296 124.570 26.766 82.280 1.00 99.90 C +ATOM 2094 OG SER A 296 123.733 27.771 82.837 1.00 99.90 O +ATOM 2095 N HIS A 297 127.774 26.856 81.340 1.00 99.90 N +ATOM 2096 CA HIS A 297 128.770 26.314 80.417 1.00 99.90 C +ATOM 2097 C HIS A 297 129.539 25.107 80.977 1.00 99.90 C +ATOM 2098 O HIS A 297 129.774 25.014 82.179 1.00 99.90 O +ATOM 2099 CB HIS A 297 129.725 27.440 80.012 1.00 77.22 C +ATOM 2100 CG HIS A 297 130.812 27.014 79.077 1.00 77.22 C +ATOM 2101 ND1 HIS A 297 131.915 26.304 79.493 1.00 77.22 N +ATOM 2102 CD2 HIS A 297 130.982 27.234 77.754 1.00 77.22 C +ATOM 2103 CE1 HIS A 297 132.723 26.107 78.468 1.00 77.22 C +ATOM 2104 NE2 HIS A 297 132.179 26.663 77.402 1.00 77.22 N +ATOM 2105 N PRO A 298 129.962 24.177 80.101 1.00 83.53 N +ATOM 2106 CA PRO A 298 130.701 22.995 80.546 1.00 83.53 C +ATOM 2107 C PRO A 298 131.814 23.298 81.524 1.00 83.53 C +ATOM 2108 O PRO A 298 131.822 22.754 82.616 1.00 83.53 O +ATOM 2109 CB PRO A 298 131.219 22.391 79.240 1.00 99.90 C +ATOM 2110 CG PRO A 298 131.027 23.478 78.213 1.00 99.90 C +ATOM 2111 CD PRO A 298 129.762 24.126 78.647 1.00 99.90 C +ATOM 2112 N TYR A 299 132.732 24.177 81.130 1.00 67.66 N +ATOM 2113 CA TYR A 299 133.872 24.598 81.972 1.00 67.66 C +ATOM 2114 C TYR A 299 133.764 24.380 83.486 1.00 67.66 C +ATOM 2115 O TYR A 299 134.671 23.847 84.118 1.00 67.66 O +ATOM 2116 CB TYR A 299 134.201 26.084 81.725 1.00 75.73 C +ATOM 2117 CG TYR A 299 135.312 26.658 82.610 1.00 75.73 C +ATOM 2118 CD1 TYR A 299 136.645 26.273 82.433 1.00 75.73 C +ATOM 2119 CD2 TYR A 299 135.037 27.600 83.605 1.00 75.73 C +ATOM 2120 CE1 TYR A 299 137.681 26.812 83.226 1.00 75.73 C +ATOM 2121 CE2 TYR A 299 136.069 28.146 84.399 1.00 75.73 C +ATOM 2122 CZ TYR A 299 137.385 27.743 84.201 1.00 75.73 C +ATOM 2123 OH TYR A 299 138.413 28.247 84.969 1.00 75.73 O +ATOM 2124 N PHE A 300 132.682 24.860 84.074 1.00 99.90 N +ATOM 2125 CA PHE A 300 132.503 24.721 85.502 1.00 99.90 C +ATOM 2126 C PHE A 300 131.913 23.348 85.800 1.00 99.90 C +ATOM 2127 O PHE A 300 130.857 23.200 86.413 1.00 99.90 O +ATOM 2128 CB PHE A 300 131.630 25.861 86.015 1.00 67.26 C +ATOM 2129 CG PHE A 300 132.184 27.246 85.714 1.00 67.26 C +ATOM 2130 CD1 PHE A 300 133.346 27.704 86.334 1.00 67.26 C +ATOM 2131 CD2 PHE A 300 131.508 28.108 84.844 1.00 67.26 C +ATOM 2132 CE1 PHE A 300 133.816 28.994 86.096 1.00 67.26 C +ATOM 2133 CE2 PHE A 300 131.974 29.396 84.600 1.00 67.26 C +ATOM 2134 CZ PHE A 300 133.129 29.840 85.229 1.00 67.26 C +ATOM 2135 N GLN A 301 132.618 22.347 85.307 1.00 99.90 N +ATOM 2136 CA GLN A 301 132.249 20.965 85.478 1.00 99.90 C +ATOM 2137 C GLN A 301 133.176 20.524 86.607 1.00 99.90 C +ATOM 2138 O GLN A 301 134.415 20.594 86.435 1.00 99.90 O +ATOM 2139 CB GLN A 301 132.548 20.216 84.173 1.00 99.90 C +ATOM 2140 CG GLN A 301 131.923 18.837 84.014 1.00 99.90 C +ATOM 2141 CD GLN A 301 132.096 18.285 82.598 1.00 99.90 C +ATOM 2142 OE1 GLN A 301 132.862 17.343 82.363 1.00 99.90 O +ATOM 2143 NE2 GLN A 301 131.379 18.872 81.649 1.00 99.90 N +TER 2144 GLN A 301 +END diff --git a/bench/main_benchmark/structures/SFB_AL_CDK6_1BI7A_2EUFB/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_CDK6_1BI7A_2EUFB/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f1c64296e995a12f825fe62c42372bbf933c4392 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_CDK6_1BI7A_2EUFB/state_b.pdb @@ -0,0 +1,2135 @@ +ATOM 1 N ASP B 10 51.730 24.197 62.034 1.00 58.11 N +ATOM 2 CA ASP B 10 51.872 23.283 60.863 1.00 58.39 C +ATOM 3 C ASP B 10 51.668 21.792 61.211 1.00 58.59 C +ATOM 4 O ASP B 10 51.022 21.059 60.453 1.00 58.74 O +ATOM 5 CB ASP B 10 53.223 23.507 60.168 1.00 58.27 C +ATOM 6 N GLN B 11 52.212 21.346 62.346 1.00 58.66 N +ATOM 7 CA GLN B 11 52.095 19.940 62.758 1.00 58.61 C +ATOM 8 C GLN B 11 51.593 19.760 64.198 1.00 58.66 C +ATOM 9 O GLN B 11 52.165 18.991 64.974 1.00 58.56 O +ATOM 10 CB GLN B 11 53.420 19.204 62.543 1.00 58.51 C +ATOM 11 N GLN B 12 50.515 20.466 64.540 1.00 58.76 N +ATOM 12 CA GLN B 12 49.889 20.348 65.862 1.00 58.87 C +ATOM 13 C GLN B 12 48.601 19.497 65.849 1.00 58.96 C +ATOM 14 O GLN B 12 47.976 19.289 66.898 1.00 58.85 O +ATOM 15 CB GLN B 12 49.624 21.743 66.459 1.00 58.63 C +ATOM 16 N TYR B 13 48.227 18.992 64.669 1.00 59.09 N +ATOM 17 CA TYR B 13 46.919 18.351 64.465 1.00 59.21 C +ATOM 18 C TYR B 13 46.946 17.010 63.728 1.00 59.27 C +ATOM 19 O TYR B 13 47.995 16.573 63.244 1.00 59.40 O +ATOM 20 CB TYR B 13 45.980 19.305 63.728 1.00 59.32 C +ATOM 21 CG TYR B 13 45.856 20.645 64.399 1.00 59.70 C +ATOM 22 CD1 TYR B 13 44.938 20.845 65.429 1.00 59.88 C +ATOM 23 CD2 TYR B 13 46.671 21.713 64.018 1.00 60.00 C +ATOM 24 CE1 TYR B 13 44.828 22.075 66.058 1.00 60.03 C +ATOM 25 CE2 TYR B 13 46.570 22.948 64.638 1.00 60.00 C +ATOM 26 CZ TYR B 13 45.647 23.122 65.656 1.00 60.04 C +ATOM 27 OH TYR B 13 45.543 24.345 66.275 1.00 60.31 O +ATOM 28 N GLU B 14 45.770 16.372 63.671 1.00 59.15 N +ATOM 29 CA GLU B 14 45.524 15.116 62.942 1.00 58.82 C +ATOM 30 C GLU B 14 44.030 15.019 62.590 1.00 58.60 C +ATOM 31 O GLU B 14 43.182 15.030 63.482 1.00 58.68 O +ATOM 32 CB GLU B 14 45.970 13.906 63.768 1.00 58.58 C +ATOM 33 N CYS B 15 43.717 14.939 61.296 1.00 58.25 N +ATOM 34 CA CYS B 15 42.329 14.950 60.816 1.00 57.94 C +ATOM 35 C CYS B 15 41.593 13.620 61.023 1.00 57.84 C +ATOM 36 O CYS B 15 42.164 12.545 60.821 1.00 57.89 O +ATOM 37 CB CYS B 15 42.288 15.354 59.355 1.00 57.90 C +ATOM 38 N VAL B 16 40.325 13.706 61.426 1.00 57.59 N +ATOM 39 CA VAL B 16 39.479 12.527 61.627 1.00 57.31 C +ATOM 40 C VAL B 16 38.434 12.428 60.512 1.00 57.29 C +ATOM 41 O VAL B 16 38.759 12.006 59.403 1.00 57.30 O +ATOM 42 CB VAL B 16 38.821 12.560 63.004 1.00 57.05 C +ATOM 43 N ALA B 17 37.194 12.823 60.798 1.00 57.27 N +ATOM 44 CA ALA B 17 36.130 12.836 59.791 1.00 57.31 C +ATOM 45 C ALA B 17 36.031 14.204 59.122 1.00 57.52 C +ATOM 46 O ALA B 17 36.426 15.216 59.707 1.00 57.69 O +ATOM 47 CB ALA B 17 34.803 12.463 60.417 1.00 57.17 C +ATOM 48 N GLU B 18 35.506 14.235 57.898 1.00 57.61 N +ATOM 49 CA GLU B 18 35.302 15.501 57.186 1.00 57.71 C +ATOM 50 C GLU B 18 33.886 16.047 57.388 1.00 57.68 C +ATOM 51 O GLU B 18 32.946 15.642 56.708 1.00 57.71 O +ATOM 52 CB GLU B 18 35.663 15.384 55.691 1.00 57.71 C +ATOM 53 CG GLU B 18 35.088 14.170 54.964 1.00 57.98 C +ATOM 54 CD GLU B 18 35.293 14.207 53.453 1.00 57.89 C +ATOM 55 OE1 GLU B 18 35.427 15.313 52.880 1.00 57.75 O +ATOM 56 OE2 GLU B 18 35.307 13.119 52.830 1.00 58.02 O +ATOM 57 N ILE B 19 33.743 16.971 58.331 1.00 57.79 N +ATOM 58 CA ILE B 19 32.429 17.532 58.669 1.00 57.96 C +ATOM 59 C ILE B 19 31.885 18.568 57.661 1.00 58.24 C +ATOM 60 O ILE B 19 31.241 19.548 58.061 1.00 58.21 O +ATOM 61 CB ILE B 19 32.424 18.110 60.112 1.00 57.82 C +ATOM 62 CG1 ILE B 19 33.708 18.894 60.384 1.00 57.54 C +ATOM 63 CG2 ILE B 19 32.265 16.997 61.129 1.00 57.90 C +ATOM 64 CD1 ILE B 19 33.575 19.926 61.471 1.00 57.52 C +ATOM 65 N GLY B 20 32.141 18.347 56.368 1.00 58.41 N +ATOM 66 CA GLY B 20 31.499 19.135 55.304 1.00 58.81 C +ATOM 67 C GLY B 20 32.357 20.054 54.443 1.00 58.95 C +ATOM 68 O GLY B 20 33.277 20.704 54.935 1.00 58.71 O +ATOM 69 N GLU B 21 32.025 20.113 53.152 1.00 59.28 N +ATOM 70 CA GLU B 21 32.744 20.923 52.168 1.00 59.72 C +ATOM 71 C GLU B 21 32.283 22.386 52.189 1.00 60.12 C +ATOM 72 O GLU B 21 31.245 22.730 51.613 1.00 60.26 O +ATOM 73 CB GLU B 21 32.595 20.321 50.767 1.00 59.65 C +ATOM 74 N GLY B 22 33.077 23.237 52.846 1.00 60.47 N +ATOM 75 CA GLY B 22 32.716 24.627 53.129 1.00 60.48 C +ATOM 76 C GLY B 22 32.935 25.557 51.959 1.00 60.86 C +ATOM 77 O GLY B 22 32.891 25.129 50.803 1.00 60.89 O +ATOM 78 N ALA B 23 33.194 26.829 52.276 1.00 61.23 N +ATOM 79 CA ALA B 23 33.277 27.934 51.299 1.00 61.41 C +ATOM 80 C ALA B 23 34.094 27.670 50.027 1.00 61.63 C +ATOM 81 O ALA B 23 33.570 27.861 48.922 1.00 61.87 O +ATOM 82 CB ALA B 23 33.761 29.191 51.968 1.00 61.22 C +ATOM 83 N TYR B 24 35.362 27.258 50.175 1.00 61.71 N +ATOM 84 CA TYR B 24 36.253 27.027 49.009 1.00 61.48 C +ATOM 85 C TYR B 24 36.533 25.549 48.739 1.00 61.10 C +ATOM 86 O TYR B 24 36.515 25.106 47.582 1.00 60.81 O +ATOM 87 CB TYR B 24 37.573 27.810 49.152 1.00 61.60 C +ATOM 88 N GLY B 25 36.791 24.809 49.820 1.00 60.77 N +ATOM 89 CA GLY B 25 37.083 23.376 49.765 1.00 60.27 C +ATOM 90 C GLY B 25 36.319 22.607 50.829 1.00 59.89 C +ATOM 91 O GLY B 25 35.091 22.517 50.766 1.00 59.89 O +ATOM 92 N LYS B 26 37.046 22.065 51.810 1.00 59.42 N +ATOM 93 CA LYS B 26 36.459 21.193 52.835 1.00 58.94 C +ATOM 94 C LYS B 26 36.856 21.553 54.275 1.00 58.66 C +ATOM 95 O LYS B 26 37.877 22.206 54.510 1.00 58.63 O +ATOM 96 CB LYS B 26 36.787 19.731 52.536 1.00 58.87 C +ATOM 97 N VAL B 27 36.024 21.125 55.226 1.00 58.32 N +ATOM 98 CA VAL B 27 36.254 21.338 56.663 1.00 57.93 C +ATOM 99 C VAL B 27 36.335 19.984 57.397 1.00 57.60 C +ATOM 100 O VAL B 27 35.405 19.174 57.321 1.00 57.42 O +ATOM 101 CB VAL B 27 35.143 22.235 57.297 1.00 57.93 C +ATOM 102 CG1 VAL B 27 35.359 22.409 58.796 1.00 58.06 C +ATOM 103 CG2 VAL B 27 35.073 23.589 56.612 1.00 57.63 C +ATOM 104 N PHE B 28 37.448 19.753 58.098 1.00 57.33 N +ATOM 105 CA PHE B 28 37.707 18.482 58.805 1.00 57.15 C +ATOM 106 C PHE B 28 37.478 18.571 60.323 1.00 56.86 C +ATOM 107 O PHE B 28 37.677 19.633 60.925 1.00 57.10 O +ATOM 108 CB PHE B 28 39.151 18.003 58.553 1.00 57.11 C +ATOM 109 CG PHE B 28 39.399 17.493 57.159 1.00 57.09 C +ATOM 110 CD1 PHE B 28 39.152 16.159 56.836 1.00 57.34 C +ATOM 111 CD2 PHE B 28 39.898 18.340 56.172 1.00 56.83 C +ATOM 112 CE1 PHE B 28 39.386 15.680 55.547 1.00 57.37 C +ATOM 113 CE2 PHE B 28 40.134 17.873 54.882 1.00 56.70 C +ATOM 114 CZ PHE B 28 39.878 16.543 54.568 1.00 57.16 C +ATOM 115 N LYS B 29 37.060 17.460 60.930 1.00 56.24 N +ATOM 116 CA LYS B 29 37.090 17.324 62.386 1.00 55.71 C +ATOM 117 C LYS B 29 38.468 16.806 62.782 1.00 55.31 C +ATOM 118 O LYS B 29 38.958 15.833 62.207 1.00 55.22 O +ATOM 119 CB LYS B 29 35.992 16.377 62.875 1.00 55.74 C +ATOM 120 N ALA B 30 39.096 17.472 63.747 1.00 54.85 N +ATOM 121 CA ALA B 30 40.442 17.109 64.194 1.00 54.45 C +ATOM 122 C ALA B 30 40.678 17.497 65.653 1.00 54.16 C +ATOM 123 O ALA B 30 39.950 18.319 66.208 1.00 54.09 O +ATOM 124 CB ALA B 30 41.493 17.754 63.289 1.00 54.49 C +ATOM 125 N ARG B 31 41.696 16.899 66.269 1.00 53.79 N +ATOM 126 CA ARG B 31 42.058 17.222 67.643 1.00 53.55 C +ATOM 127 C ARG B 31 43.317 18.088 67.702 1.00 53.47 C +ATOM 128 O ARG B 31 44.212 17.939 66.870 1.00 53.51 O +ATOM 129 CB ARG B 31 42.250 15.952 68.441 1.00 53.41 C +ATOM 130 N ASP B 32 43.366 19.005 68.672 1.00 53.35 N +ATOM 131 CA ASP B 32 44.591 19.752 68.996 1.00 53.18 C +ATOM 132 C ASP B 32 45.454 18.926 69.966 1.00 53.24 C +ATOM 133 O ASP B 32 44.919 18.201 70.816 1.00 53.32 O +ATOM 134 CB ASP B 32 44.245 21.112 69.597 1.00 52.91 C +ATOM 135 N LEU B 33 46.778 19.020 69.842 1.00 53.11 N +ATOM 136 CA LEU B 33 47.676 18.225 70.696 1.00 52.96 C +ATOM 137 C LEU B 33 48.264 19.006 71.880 1.00 52.93 C +ATOM 138 O LEU B 33 48.232 18.525 73.017 1.00 52.83 O +ATOM 139 CB LEU B 33 48.785 17.582 69.865 1.00 52.91 C +ATOM 140 N LYS B 34 48.787 20.205 71.601 1.00 52.94 N +ATOM 141 CA LYS B 34 49.407 21.088 72.609 1.00 52.79 C +ATOM 142 C LYS B 34 48.423 21.573 73.680 1.00 52.81 C +ATOM 143 O LYS B 34 48.808 21.755 74.840 1.00 52.88 O +ATOM 144 CB LYS B 34 50.074 22.296 71.932 1.00 52.86 C +ATOM 145 CG LYS B 34 50.897 23.191 72.870 1.00 52.70 C +ATOM 146 CD LYS B 34 51.313 24.510 72.206 1.00 52.50 C +ATOM 147 CE LYS B 34 50.214 25.577 72.266 1.00 51.44 C +ATOM 148 NZ LYS B 34 50.701 26.905 71.785 1.00 50.26 N +ATOM 149 N ASN B 35 47.166 21.785 73.277 1.00 52.67 N +ATOM 150 CA ASN B 35 46.075 22.147 74.194 1.00 52.47 C +ATOM 151 C ASN B 35 45.677 20.985 75.137 1.00 52.33 C +ATOM 152 O ASN B 35 46.522 20.157 75.516 1.00 52.32 O +ATOM 153 CB ASN B 35 44.864 22.662 73.399 1.00 52.36 C +ATOM 154 N GLY B 36 44.400 20.928 75.518 1.00 52.07 N +ATOM 155 CA GLY B 36 43.905 19.886 76.431 1.00 51.49 C +ATOM 156 C GLY B 36 43.689 18.535 75.768 1.00 51.10 C +ATOM 157 O GLY B 36 43.343 17.559 76.438 1.00 51.05 O +ATOM 158 N GLY B 37 43.903 18.482 74.451 1.00 50.70 N +ATOM 159 CA GLY B 37 43.664 17.277 73.652 1.00 49.97 C +ATOM 160 C GLY B 37 42.315 17.323 72.956 1.00 49.44 C +ATOM 161 O GLY B 37 41.943 16.384 72.247 1.00 49.43 O +ATOM 162 N ARG B 38 41.596 18.431 73.154 1.00 48.80 N +ATOM 163 CA ARG B 38 40.214 18.581 72.700 1.00 48.14 C +ATOM 164 C ARG B 38 40.108 18.802 71.189 1.00 47.78 C +ATOM 165 O ARG B 38 41.081 18.606 70.457 1.00 47.64 O +ATOM 166 CB ARG B 38 39.517 19.698 73.480 1.00 48.04 C +ATOM 167 N PHE B 39 38.924 19.212 70.733 1.00 47.38 N +ATOM 168 CA PHE B 39 38.616 19.278 69.299 1.00 46.94 C +ATOM 169 C PHE B 39 38.734 20.662 68.644 1.00 46.76 C +ATOM 170 O PHE B 39 38.443 21.695 69.255 1.00 46.52 O +ATOM 171 CB PHE B 39 37.240 18.653 69.003 1.00 46.72 C +ATOM 172 CG PHE B 39 37.221 17.146 69.089 1.00 46.46 C +ATOM 173 CD1 PHE B 39 38.278 16.386 68.584 1.00 46.20 C +ATOM 174 CD2 PHE B 39 36.135 16.484 69.659 1.00 46.42 C +ATOM 175 CE1 PHE B 39 38.260 14.993 68.663 1.00 45.58 C +ATOM 176 CE2 PHE B 39 36.106 15.090 69.734 1.00 45.29 C +ATOM 177 CZ PHE B 39 37.171 14.347 69.233 1.00 45.36 C +ATOM 178 N VAL B 40 39.164 20.645 67.385 1.00 46.66 N +ATOM 179 CA VAL B 40 39.361 21.839 66.577 1.00 46.54 C +ATOM 180 C VAL B 40 38.686 21.624 65.218 1.00 46.69 C +ATOM 181 O VAL B 40 38.621 20.487 64.729 1.00 46.60 O +ATOM 182 CB VAL B 40 40.845 22.104 66.408 1.00 46.15 C +ATOM 183 N ALA B 41 38.167 22.709 64.632 1.00 46.79 N +ATOM 184 CA ALA B 41 37.568 22.685 63.285 1.00 46.92 C +ATOM 185 C ALA B 41 38.535 23.247 62.233 1.00 47.11 C +ATOM 186 O ALA B 41 38.865 24.436 62.259 1.00 47.03 O +ATOM 187 CB ALA B 41 36.237 23.450 63.267 1.00 46.65 C +ATOM 188 N LEU B 42 38.981 22.390 61.312 1.00 47.35 N +ATOM 189 CA LEU B 42 39.969 22.779 60.296 1.00 47.73 C +ATOM 190 C LEU B 42 39.407 22.991 58.892 1.00 48.17 C +ATOM 191 O LEU B 42 38.926 22.046 58.256 1.00 48.13 O +ATOM 192 CB LEU B 42 41.116 21.772 60.224 1.00 47.52 C +ATOM 193 CG LEU B 42 41.990 21.555 61.457 1.00 47.59 C +ATOM 194 CD1 LEU B 42 43.226 20.746 61.072 1.00 47.40 C +ATOM 195 CD2 LEU B 42 42.385 22.872 62.104 1.00 47.73 C +ATOM 196 N LYS B 43 39.501 24.233 58.414 1.00 48.67 N +ATOM 197 CA LYS B 43 39.109 24.600 57.048 1.00 49.23 C +ATOM 198 C LYS B 43 40.347 24.621 56.155 1.00 49.28 C +ATOM 199 O LYS B 43 41.264 25.417 56.365 1.00 49.29 O +ATOM 200 CB LYS B 43 38.411 25.972 57.039 1.00 49.36 C +ATOM 201 CG LYS B 43 37.643 26.321 55.768 1.00 50.03 C +ATOM 202 CD LYS B 43 36.578 27.382 56.075 1.00 51.16 C +ATOM 203 CE LYS B 43 35.893 27.924 54.802 1.00 52.43 C +ATOM 204 NZ LYS B 43 34.819 28.953 55.074 1.00 51.67 N +ATOM 205 N ARG B 44 40.378 23.718 55.180 1.00 49.47 N +ATOM 206 CA ARG B 44 41.479 23.650 54.229 1.00 49.60 C +ATOM 207 C ARG B 44 41.139 24.536 53.046 1.00 49.72 C +ATOM 208 O ARG B 44 40.080 24.379 52.433 1.00 49.72 O +ATOM 209 CB ARG B 44 41.724 22.205 53.780 1.00 49.47 C +ATOM 210 N VAL B 45 42.024 25.485 52.747 1.00 49.98 N +ATOM 211 CA VAL B 45 41.825 26.401 51.623 1.00 50.27 C +ATOM 212 C VAL B 45 42.989 26.321 50.638 1.00 50.44 C +ATOM 213 O VAL B 45 44.079 26.837 50.912 1.00 50.48 O +ATOM 214 CB VAL B 45 41.661 27.865 52.085 1.00 50.27 C +ATOM 215 CG1 VAL B 45 40.963 28.684 51.006 1.00 50.36 C +ATOM 216 CG2 VAL B 45 40.887 27.951 53.401 1.00 50.56 C +ATOM 217 N ARG B 46 42.752 25.671 49.498 1.00 50.61 N +ATOM 218 CA ARG B 46 43.780 25.517 48.475 1.00 50.99 C +ATOM 219 C ARG B 46 43.789 26.731 47.548 1.00 51.36 C +ATOM 220 O ARG B 46 42.963 26.832 46.635 1.00 51.68 O +ATOM 221 CB ARG B 46 43.573 24.225 47.686 1.00 50.90 C +ATOM 222 N VAL B 47 44.715 27.658 47.802 1.00 51.50 N +ATOM 223 CA VAL B 47 44.876 28.857 46.981 1.00 51.53 C +ATOM 224 C VAL B 47 45.447 28.479 45.629 1.00 51.58 C +ATOM 225 O VAL B 47 46.575 27.986 45.534 1.00 51.48 O +ATOM 226 CB VAL B 47 45.816 29.891 47.639 1.00 51.61 C +ATOM 227 CG1 VAL B 47 45.983 31.128 46.745 1.00 51.59 C +ATOM 228 CG2 VAL B 47 45.308 30.287 49.016 1.00 51.92 C +ATOM 229 N GLN B 48 44.655 28.712 44.590 1.00 51.80 N +ATOM 230 CA GLN B 48 45.071 28.433 43.219 1.00 52.11 C +ATOM 231 C GLN B 48 46.256 29.311 42.821 1.00 52.13 C +ATOM 232 O GLN B 48 46.146 30.538 42.819 1.00 52.22 O +ATOM 233 CB GLN B 48 43.895 28.634 42.250 1.00 52.14 C +ATOM 234 CG GLN B 48 42.820 27.550 42.335 1.00 52.22 C +ATOM 235 CD GLN B 48 43.232 26.265 41.630 1.00 52.46 C +ATOM 236 OE1 GLN B 48 43.277 26.216 40.399 1.00 52.57 O +ATOM 237 NE2 GLN B 48 43.530 25.226 42.406 1.00 52.13 N +ATOM 238 N THR B 49 47.392 28.683 42.511 1.00 52.22 N +ATOM 239 CA THR B 49 48.552 29.410 41.980 1.00 52.32 C +ATOM 240 C THR B 49 48.261 30.003 40.597 1.00 52.37 C +ATOM 241 O THR B 49 49.091 29.921 39.682 1.00 52.42 O +ATOM 242 CB THR B 49 49.850 28.542 41.951 1.00 52.34 C +ATOM 243 OG1 THR B 49 49.530 27.154 42.116 1.00 52.27 O +ATOM 244 CG2 THR B 49 50.735 28.859 43.147 1.00 52.33 C +ATOM 245 N GLY B 50 47.068 30.584 40.456 1.00 52.30 N +ATOM 246 CA GLY B 50 46.704 31.362 39.281 1.00 52.12 C +ATOM 247 C GLY B 50 47.385 32.706 39.407 1.00 51.99 C +ATOM 248 O GLY B 50 48.563 32.845 39.076 1.00 51.99 O +ATOM 249 N GLU B 51 46.647 33.689 39.910 1.00 51.89 N +ATOM 250 CA GLU B 51 47.191 35.022 40.152 1.00 51.86 C +ATOM 251 C GLU B 51 46.114 35.973 40.655 1.00 51.69 C +ATOM 252 O GLU B 51 45.698 36.877 39.930 1.00 51.95 O +ATOM 253 CB GLU B 51 47.863 35.593 38.874 1.00 51.78 C +ATOM 254 N GLU B 52 45.657 35.763 41.886 1.00 51.38 N +ATOM 255 CA GLU B 52 44.735 36.706 42.521 1.00 51.20 C +ATOM 256 C GLU B 52 45.063 36.976 43.991 1.00 50.75 C +ATOM 257 O GLU B 52 44.450 37.840 44.609 1.00 50.68 O +ATOM 258 CB GLU B 52 43.266 36.263 42.372 1.00 51.37 C +ATOM 259 CG GLU B 52 42.681 36.311 40.953 1.00 52.48 C +ATOM 260 CD GLU B 52 42.928 37.624 40.192 1.00 53.65 C +ATOM 261 OE1 GLU B 52 43.034 38.699 40.830 1.00 54.14 O +ATOM 262 OE2 GLU B 52 43.016 37.584 38.936 1.00 53.28 O +ATOM 263 N GLY B 53 46.034 36.245 44.538 1.00 50.29 N +ATOM 264 CA GLY B 53 46.374 36.339 45.957 1.00 49.48 C +ATOM 265 C GLY B 53 45.358 35.560 46.757 1.00 49.02 C +ATOM 266 O GLY B 53 44.618 34.760 46.189 1.00 49.08 O +ATOM 267 N MET B 54 45.308 35.790 48.068 1.00 48.60 N +ATOM 268 CA MET B 54 44.380 35.050 48.939 1.00 48.25 C +ATOM 269 C MET B 54 42.951 35.224 48.462 1.00 47.76 C +ATOM 270 O MET B 54 42.569 36.315 48.052 1.00 47.90 O +ATOM 271 CB MET B 54 44.480 35.495 50.401 1.00 48.25 C +ATOM 272 CG MET B 54 45.894 35.519 50.981 1.00 48.92 C +ATOM 273 SD MET B 54 46.762 33.942 50.937 1.00 48.51 S +ATOM 274 CE MET B 54 45.591 32.935 51.822 1.00 49.16 C +ATOM 275 N PRO B 55 42.164 34.155 48.487 1.00 47.25 N +ATOM 276 CA PRO B 55 40.782 34.244 48.055 1.00 46.87 C +ATOM 277 C PRO B 55 40.071 35.374 48.770 1.00 46.42 C +ATOM 278 O PRO B 55 40.290 35.597 49.958 1.00 46.06 O +ATOM 279 CB PRO B 55 40.201 32.892 48.458 1.00 46.86 C +ATOM 280 CG PRO B 55 41.356 31.986 48.393 1.00 47.05 C +ATOM 281 CD PRO B 55 42.521 32.789 48.903 1.00 47.22 C +ATOM 282 N LEU B 56 39.265 36.100 48.006 1.00 46.41 N +ATOM 283 CA LEU B 56 38.424 37.175 48.507 1.00 46.33 C +ATOM 284 C LEU B 56 37.606 36.654 49.670 1.00 46.38 C +ATOM 285 O LEU B 56 37.778 37.103 50.809 1.00 46.65 O +ATOM 286 CB LEU B 56 37.505 37.651 47.380 1.00 46.30 C +ATOM 287 CG LEU B 56 36.512 38.805 47.481 1.00 45.95 C +ATOM 288 CD1 LEU B 56 35.928 39.015 46.092 1.00 46.17 C +ATOM 289 CD2 LEU B 56 35.402 38.531 48.470 1.00 45.42 C +ATOM 290 N SER B 57 36.744 35.680 49.378 1.00 46.31 N +ATOM 291 CA SER B 57 35.856 35.086 50.365 1.00 46.19 C +ATOM 292 C SER B 57 36.541 34.770 51.700 1.00 46.23 C +ATOM 293 O SER B 57 35.980 35.029 52.762 1.00 46.14 O +ATOM 294 CB SER B 57 35.211 33.838 49.792 1.00 46.00 C +ATOM 295 OG SER B 57 34.391 33.223 50.769 1.00 47.30 O +ATOM 296 N THR B 58 37.755 34.236 51.650 1.00 46.41 N +ATOM 297 CA THR B 58 38.457 33.885 52.874 1.00 47.06 C +ATOM 298 C THR B 58 38.965 35.064 53.682 1.00 46.99 C +ATOM 299 O THR B 58 38.793 35.085 54.906 1.00 47.02 O +ATOM 300 CB THR B 58 39.586 32.868 52.608 1.00 47.34 C +ATOM 301 OG1 THR B 58 39.192 31.582 53.123 1.00 48.38 O +ATOM 302 CG2 THR B 58 40.836 33.198 53.446 1.00 47.85 C +ATOM 303 N ILE B 59 39.586 36.031 53.005 1.00 47.06 N +ATOM 304 CA ILE B 59 40.114 37.228 53.667 1.00 47.30 C +ATOM 305 C ILE B 59 39.006 37.944 54.423 1.00 48.09 C +ATOM 306 O ILE B 59 39.143 38.248 55.612 1.00 48.01 O +ATOM 307 CB ILE B 59 40.788 38.183 52.650 1.00 46.91 C +ATOM 308 CG1 ILE B 59 42.155 37.637 52.255 1.00 46.29 C +ATOM 309 CG2 ILE B 59 40.945 39.578 53.236 1.00 46.14 C +ATOM 310 CD1 ILE B 59 42.910 38.493 51.315 1.00 45.24 C +ATOM 311 N ARG B 60 37.907 38.180 53.713 1.00 48.93 N +ATOM 312 CA ARG B 60 36.724 38.815 54.248 1.00 50.07 C +ATOM 313 C ARG B 60 36.213 38.094 55.493 1.00 50.25 C +ATOM 314 O ARG B 60 36.150 38.682 56.557 1.00 50.86 O +ATOM 315 CB ARG B 60 35.665 38.842 53.156 1.00 49.86 C +ATOM 316 CG ARG B 60 34.313 39.353 53.587 1.00 51.65 C +ATOM 317 CD ARG B 60 33.300 39.386 52.453 1.00 51.86 C +ATOM 318 NE ARG B 60 33.554 40.504 51.548 1.00 55.38 N +ATOM 319 CZ ARG B 60 33.098 40.562 50.301 1.00 57.21 C +ATOM 320 NH1 ARG B 60 32.370 39.548 49.824 1.00 58.14 N +ATOM 321 NH2 ARG B 60 33.378 41.618 49.525 1.00 57.30 N +ATOM 322 N GLU B 61 35.880 36.815 55.351 1.00 50.65 N +ATOM 323 CA GLU B 61 35.313 35.992 56.419 1.00 51.02 C +ATOM 324 C GLU B 61 36.130 36.000 57.717 1.00 51.08 C +ATOM 325 O GLU B 61 35.563 36.061 58.816 1.00 51.41 O +ATOM 326 CB GLU B 61 35.142 34.557 55.906 1.00 50.90 C +ATOM 327 CG GLU B 61 34.813 33.515 56.954 1.00 50.92 C +ATOM 328 CD GLU B 61 35.059 32.093 56.463 1.00 52.20 C +ATOM 329 OE1 GLU B 61 35.900 31.912 55.546 1.00 53.24 O +ATOM 330 OE2 GLU B 61 34.415 31.146 57.004 1.00 54.76 O +ATOM 331 N VAL B 62 37.453 35.914 57.599 1.00 50.81 N +ATOM 332 CA VAL B 62 38.319 35.977 58.776 1.00 50.28 C +ATOM 333 C VAL B 62 38.232 37.357 59.414 1.00 50.54 C +ATOM 334 O VAL B 62 38.141 37.482 60.633 1.00 50.71 O +ATOM 335 CB VAL B 62 39.775 35.682 58.422 1.00 49.86 C +ATOM 336 CG1 VAL B 62 40.666 36.023 59.567 1.00 48.72 C +ATOM 337 CG2 VAL B 62 39.932 34.232 58.058 1.00 50.35 C +ATOM 338 N ALA B 63 38.235 38.389 58.572 1.00 50.81 N +ATOM 339 CA ALA B 63 38.324 39.774 59.024 1.00 50.84 C +ATOM 340 C ALA B 63 37.144 40.131 59.913 1.00 50.86 C +ATOM 341 O ALA B 63 37.314 40.833 60.918 1.00 50.92 O +ATOM 342 CB ALA B 63 38.419 40.718 57.832 1.00 50.50 C +ATOM 343 N VAL B 64 35.971 39.616 59.535 1.00 50.82 N +ATOM 344 CA VAL B 64 34.699 39.872 60.212 1.00 51.03 C +ATOM 345 C VAL B 64 34.644 39.153 61.553 1.00 51.34 C +ATOM 346 O VAL B 64 34.246 39.729 62.567 1.00 51.17 O +ATOM 347 CB VAL B 64 33.514 39.380 59.360 1.00 50.76 C +ATOM 348 CG1 VAL B 64 32.193 39.505 60.125 1.00 50.56 C +ATOM 349 CG2 VAL B 64 33.454 40.132 58.063 1.00 51.15 C +ATOM 350 N LEU B 65 35.030 37.880 61.521 1.00 51.83 N +ATOM 351 CA LEU B 65 35.123 37.046 62.699 1.00 52.12 C +ATOM 352 C LEU B 65 36.151 37.600 63.670 1.00 52.07 C +ATOM 353 O LEU B 65 35.895 37.630 64.872 1.00 52.28 O +ATOM 354 CB LEU B 65 35.468 35.597 62.317 1.00 52.45 C +ATOM 355 CG LEU B 65 34.421 34.671 61.676 1.00 52.99 C +ATOM 356 CD1 LEU B 65 34.986 33.271 61.539 1.00 52.91 C +ATOM 357 CD2 LEU B 65 33.154 34.602 62.508 1.00 54.48 C +ATOM 358 N ARG B 66 37.299 38.044 63.159 1.00 52.02 N +ATOM 359 CA ARG B 66 38.319 38.656 64.014 1.00 52.49 C +ATOM 360 C ARG B 66 37.787 39.950 64.619 1.00 52.47 C +ATOM 361 O ARG B 66 38.056 40.275 65.771 1.00 52.40 O +ATOM 362 CB ARG B 66 39.605 38.978 63.236 1.00 52.64 C +ATOM 363 CG ARG B 66 40.465 37.795 62.801 1.00 53.09 C +ATOM 364 CD ARG B 66 41.058 36.956 63.916 1.00 54.16 C +ATOM 365 NE ARG B 66 41.440 37.734 65.093 1.00 56.16 N +ATOM 366 CZ ARG B 66 42.693 38.019 65.457 1.00 57.52 C +ATOM 367 NH1 ARG B 66 43.724 37.607 64.724 1.00 58.35 N +ATOM 368 NH2 ARG B 66 42.919 38.724 66.564 1.00 57.25 N +ATOM 369 N HIS B 67 37.019 40.685 63.828 1.00 52.54 N +ATOM 370 CA HIS B 67 36.624 42.022 64.212 1.00 52.61 C +ATOM 371 C HIS B 67 35.673 42.010 65.399 1.00 52.70 C +ATOM 372 O HIS B 67 35.649 42.925 66.220 1.00 53.04 O +ATOM 373 CB HIS B 67 35.997 42.753 63.027 1.00 52.40 C +ATOM 374 CG HIS B 67 35.893 44.229 63.228 1.00 51.55 C +ATOM 375 ND1 HIS B 67 34.703 44.914 63.118 1.00 50.73 N +ATOM 376 CD2 HIS B 67 36.827 45.146 63.570 1.00 50.66 C +ATOM 377 CE1 HIS B 67 34.911 46.193 63.367 1.00 50.42 C +ATOM 378 NE2 HIS B 67 36.192 46.361 63.634 1.00 50.93 N +ATOM 379 N LEU B 68 34.900 40.953 65.495 1.00 52.91 N +ATOM 380 CA LEU B 68 33.867 40.893 66.495 1.00 53.14 C +ATOM 381 C LEU B 68 34.263 40.043 67.691 1.00 53.46 C +ATOM 382 O LEU B 68 33.526 39.967 68.676 1.00 53.65 O +ATOM 383 CB LEU B 68 32.592 40.373 65.849 1.00 52.92 C +ATOM 384 CG LEU B 68 32.116 41.315 64.751 1.00 52.30 C +ATOM 385 CD1 LEU B 68 30.847 40.768 64.162 1.00 51.63 C +ATOM 386 CD2 LEU B 68 31.930 42.742 65.298 1.00 51.81 C +ATOM 387 N GLU B 69 35.442 39.434 67.617 1.00 53.81 N +ATOM 388 CA GLU B 69 35.804 38.392 68.565 1.00 54.07 C +ATOM 389 C GLU B 69 35.945 38.857 69.997 1.00 54.01 C +ATOM 390 O GLU B 69 35.703 38.067 70.909 1.00 54.43 O +ATOM 391 CB GLU B 69 37.021 37.595 68.107 1.00 54.08 C +ATOM 392 CG GLU B 69 38.335 38.335 68.199 1.00 54.95 C +ATOM 393 CD GLU B 69 39.490 37.508 67.674 1.00 56.88 C +ATOM 394 OE1 GLU B 69 40.657 37.827 68.024 1.00 57.49 O +ATOM 395 OE2 GLU B 69 39.230 36.538 66.915 1.00 57.48 O +ATOM 396 N THR B 70 36.281 40.135 70.197 1.00 53.91 N +ATOM 397 CA THR B 70 36.426 40.695 71.559 1.00 53.89 C +ATOM 398 C THR B 70 35.061 40.861 72.260 1.00 53.87 C +ATOM 399 O THR B 70 34.985 41.202 73.453 1.00 53.78 O +ATOM 400 CB THR B 70 37.252 42.028 71.591 1.00 53.82 C +ATOM 401 OG1 THR B 70 36.409 43.116 71.991 1.00 53.48 O +ATOM 402 CG2 THR B 70 37.775 42.428 70.192 1.00 54.13 C +ATOM 403 N PHE B 71 33.991 40.614 71.506 1.00 53.83 N +ATOM 404 CA PHE B 71 32.658 40.512 72.079 1.00 53.55 C +ATOM 405 C PHE B 71 32.363 39.130 72.602 1.00 53.67 C +ATOM 406 O PHE B 71 31.552 39.002 73.505 1.00 54.05 O +ATOM 407 CB PHE B 71 31.596 40.921 71.078 1.00 53.40 C +ATOM 408 CG PHE B 71 31.592 42.371 70.799 1.00 52.87 C +ATOM 409 CD1 PHE B 71 31.034 43.261 71.709 1.00 53.42 C +ATOM 410 CD2 PHE B 71 32.168 42.863 69.654 1.00 52.80 C +ATOM 411 CE1 PHE B 71 31.032 44.634 71.472 1.00 52.97 C +ATOM 412 CE2 PHE B 71 32.180 44.227 69.411 1.00 53.77 C +ATOM 413 CZ PHE B 71 31.609 45.116 70.326 1.00 53.17 C +ATOM 414 N GLU B 72 33.014 38.107 72.044 1.00 53.73 N +ATOM 415 CA GLU B 72 32.844 36.712 72.499 1.00 54.09 C +ATOM 416 C GLU B 72 31.364 36.236 72.451 1.00 53.74 C +ATOM 417 O GLU B 72 30.928 35.495 73.340 1.00 53.49 O +ATOM 418 CB GLU B 72 33.399 36.518 73.936 1.00 54.01 C +ATOM 419 CG GLU B 72 34.850 36.930 74.207 1.00 54.42 C +ATOM 420 CD GLU B 72 35.206 36.920 75.715 1.00 55.14 C +ATOM 421 OE1 GLU B 72 35.304 38.012 76.331 1.00 57.27 O +ATOM 422 OE2 GLU B 72 35.404 35.830 76.311 1.00 55.35 O +ATOM 423 N HIS B 73 30.599 36.669 71.439 1.00 53.48 N +ATOM 424 CA HIS B 73 29.155 36.369 71.380 1.00 53.09 C +ATOM 425 C HIS B 73 28.861 34.861 71.416 1.00 52.70 C +ATOM 426 O HIS B 73 29.433 34.102 70.628 1.00 52.75 O +ATOM 427 CB HIS B 73 28.459 37.012 70.160 1.00 53.09 C +ATOM 428 CG HIS B 73 26.960 37.070 70.294 1.00 53.33 C +ATOM 429 ND1 HIS B 73 26.173 35.940 70.389 1.00 52.44 N +ATOM 430 CD2 HIS B 73 26.112 38.121 70.401 1.00 53.02 C +ATOM 431 CE1 HIS B 73 24.909 36.295 70.536 1.00 51.97 C +ATOM 432 NE2 HIS B 73 24.844 37.613 70.544 1.00 51.84 N +ATOM 433 N PRO B 74 27.965 34.437 72.317 1.00 52.17 N +ATOM 434 CA PRO B 74 27.707 33.011 72.540 1.00 51.79 C +ATOM 435 C PRO B 74 27.079 32.258 71.353 1.00 51.69 C +ATOM 436 O PRO B 74 27.191 31.031 71.282 1.00 51.95 O +ATOM 437 CB PRO B 74 26.762 33.013 73.745 1.00 51.54 C +ATOM 438 CG PRO B 74 26.115 34.330 73.727 1.00 51.58 C +ATOM 439 CD PRO B 74 27.145 35.284 73.206 1.00 51.93 C +ATOM 440 N ASN B 75 26.444 32.976 70.432 1.00 51.27 N +ATOM 441 CA ASN B 75 25.736 32.350 69.318 1.00 50.88 C +ATOM 442 C ASN B 75 26.470 32.461 67.983 1.00 51.30 C +ATOM 443 O ASN B 75 25.858 32.405 66.912 1.00 51.23 O +ATOM 444 CB ASN B 75 24.354 32.978 69.184 1.00 50.70 C +ATOM 445 CG ASN B 75 23.532 32.825 70.419 1.00 49.14 C +ATOM 446 OD1 ASN B 75 23.319 31.720 70.872 1.00 50.14 O +ATOM 447 ND2 ASN B 75 23.053 33.928 70.971 1.00 47.46 N +ATOM 448 N VAL B 76 27.782 32.656 68.050 1.00 51.73 N +ATOM 449 CA VAL B 76 28.608 32.789 66.851 1.00 52.03 C +ATOM 450 C VAL B 76 29.845 31.922 66.992 1.00 51.97 C +ATOM 451 O VAL B 76 30.398 31.771 68.089 1.00 51.86 O +ATOM 452 CB VAL B 76 29.047 34.249 66.595 1.00 52.21 C +ATOM 453 CG1 VAL B 76 29.748 34.375 65.234 1.00 52.86 C +ATOM 454 CG2 VAL B 76 27.863 35.195 66.650 1.00 52.54 C +ATOM 455 N VAL B 77 30.279 31.357 65.875 1.00 52.03 N +ATOM 456 CA VAL B 77 31.427 30.476 65.882 1.00 52.41 C +ATOM 457 C VAL B 77 32.691 31.290 66.218 1.00 52.81 C +ATOM 458 O VAL B 77 32.684 32.515 66.083 1.00 53.35 O +ATOM 459 CB VAL B 77 31.506 29.662 64.560 1.00 52.30 C +ATOM 460 CG1 VAL B 77 32.025 30.495 63.419 1.00 51.98 C +ATOM 461 CG2 VAL B 77 32.338 28.425 64.749 1.00 52.36 C +ATOM 462 N ARG B 78 33.737 30.622 66.707 1.00 53.07 N +ATOM 463 CA ARG B 78 35.000 31.276 67.088 1.00 53.25 C +ATOM 464 C ARG B 78 36.181 30.802 66.213 1.00 53.53 C +ATOM 465 O ARG B 78 36.329 29.604 65.966 1.00 53.80 O +ATOM 466 CB ARG B 78 35.295 31.043 68.591 1.00 52.68 C +ATOM 467 N LEU B 79 37.009 31.735 65.738 1.00 53.78 N +ATOM 468 CA LEU B 79 38.239 31.372 65.022 1.00 54.22 C +ATOM 469 C LEU B 79 39.462 31.505 65.922 1.00 54.62 C +ATOM 470 O LEU B 79 39.702 32.576 66.479 1.00 54.90 O +ATOM 471 CB LEU B 79 38.439 32.238 63.769 1.00 54.23 C +ATOM 472 CG LEU B 79 39.850 32.212 63.155 1.00 53.87 C +ATOM 473 CD1 LEU B 79 39.995 31.088 62.142 1.00 52.97 C +ATOM 474 CD2 LEU B 79 40.202 33.557 62.537 1.00 52.89 C +ATOM 475 N PHE B 80 40.243 30.432 66.038 1.00 54.98 N +ATOM 476 CA PHE B 80 41.460 30.456 66.844 1.00 55.27 C +ATOM 477 C PHE B 80 42.709 30.846 66.077 1.00 55.63 C +ATOM 478 O PHE B 80 43.596 31.470 66.655 1.00 56.11 O +ATOM 479 CB PHE B 80 41.728 29.112 67.516 1.00 55.17 C +ATOM 480 CG PHE B 80 40.590 28.598 68.329 1.00 55.24 C +ATOM 481 CD1 PHE B 80 39.900 29.433 69.197 1.00 55.55 C +ATOM 482 CD2 PHE B 80 40.220 27.260 68.244 1.00 55.27 C +ATOM 483 CE1 PHE B 80 38.844 28.948 69.955 1.00 55.69 C +ATOM 484 CE2 PHE B 80 39.170 26.757 69.001 1.00 54.96 C +ATOM 485 CZ PHE B 80 38.479 27.600 69.857 1.00 55.51 C +ATOM 486 N ASP B 81 42.813 30.467 64.805 1.00 55.84 N +ATOM 487 CA ASP B 81 44.099 30.615 64.107 1.00 56.23 C +ATOM 488 C ASP B 81 44.048 30.593 62.574 1.00 56.14 C +ATOM 489 O ASP B 81 43.106 30.068 61.972 1.00 56.26 O +ATOM 490 CB ASP B 81 45.093 29.550 64.611 1.00 56.49 C +ATOM 491 CG ASP B 81 46.548 29.929 64.355 1.00 57.60 C +ATOM 492 OD1 ASP B 81 46.846 31.143 64.287 1.00 59.23 O +ATOM 493 OD2 ASP B 81 47.466 29.089 64.209 1.00 58.39 O +ATOM 494 N VAL B 82 45.069 31.184 61.954 1.00 56.00 N +ATOM 495 CA VAL B 82 45.313 31.010 60.524 1.00 55.95 C +ATOM 496 C VAL B 82 46.758 30.568 60.310 1.00 56.11 C +ATOM 497 O VAL B 82 47.694 31.323 60.565 1.00 55.99 O +ATOM 498 CB VAL B 82 45.010 32.279 59.709 1.00 55.75 C +ATOM 499 CG1 VAL B 82 45.045 31.969 58.221 1.00 55.31 C +ATOM 500 CG2 VAL B 82 43.661 32.835 60.085 1.00 55.50 C +ATOM 501 N CYS B 83 46.927 29.336 59.842 1.00 56.48 N +ATOM 502 CA CYS B 83 48.247 28.737 59.744 1.00 56.87 C +ATOM 503 C CYS B 83 49.112 29.432 58.695 1.00 57.10 C +ATOM 504 O CYS B 83 50.115 30.057 59.047 1.00 57.20 O +ATOM 505 CB CYS B 83 48.151 27.231 59.485 1.00 56.72 C +ATOM 506 N THR B 84 48.694 29.363 57.429 1.00 57.36 N +ATOM 507 CA THR B 84 49.531 29.754 56.267 1.00 57.68 C +ATOM 508 C THR B 84 50.965 29.191 56.280 1.00 57.67 C +ATOM 509 O THR B 84 51.781 29.538 57.140 1.00 57.61 O +ATOM 510 CB THR B 84 49.499 31.316 55.935 1.00 57.81 C +ATOM 511 OG1 THR B 84 50.455 31.627 54.904 1.00 57.48 O +ATOM 512 CG2 THR B 84 49.936 32.201 57.122 1.00 58.01 C +ATOM 513 N VAL B 85 51.246 28.312 55.319 1.00 57.73 N +ATOM 514 CA VAL B 85 52.614 27.854 55.042 1.00 57.74 C +ATOM 515 C VAL B 85 52.910 28.005 53.532 1.00 57.73 C +ATOM 516 O VAL B 85 52.434 27.208 52.709 1.00 57.81 O +ATOM 517 CB VAL B 85 52.882 26.383 55.540 1.00 57.70 C +ATOM 518 CG1 VAL B 85 54.385 26.069 55.544 1.00 57.33 C +ATOM 519 CG2 VAL B 85 52.284 26.140 56.930 1.00 57.50 C +ATOM 520 N SER B 86 53.675 29.038 53.174 1.00 57.48 N +ATOM 521 CA SER B 86 54.027 29.293 51.774 1.00 57.33 C +ATOM 522 C SER B 86 54.935 28.191 51.241 1.00 57.27 C +ATOM 523 O SER B 86 55.869 27.774 51.927 1.00 57.37 O +ATOM 524 CB SER B 86 54.714 30.649 51.635 1.00 57.22 C +ATOM 525 OG SER B 86 53.965 31.651 52.294 1.00 57.14 O +ATOM 526 N ARG B 87 54.651 27.709 50.031 1.00 57.16 N +ATOM 527 CA ARG B 87 55.492 26.687 49.402 1.00 57.08 C +ATOM 528 C ARG B 87 56.176 27.211 48.138 1.00 57.01 C +ATOM 529 O ARG B 87 55.522 27.738 47.240 1.00 56.92 O +ATOM 530 CB ARG B 87 54.682 25.420 49.102 1.00 56.99 C +ATOM 531 N THR B 88 57.499 27.081 48.087 1.00 57.01 N +ATOM 532 CA THR B 88 58.261 27.384 46.873 1.00 56.95 C +ATOM 533 C THR B 88 58.345 26.152 45.956 1.00 56.94 C +ATOM 534 O THR B 88 58.737 26.267 44.789 1.00 56.87 O +ATOM 535 CB THR B 88 59.655 27.904 47.226 1.00 56.92 C +ATOM 536 N ASP B 89 57.974 24.985 46.497 1.00 56.88 N +ATOM 537 CA ASP B 89 57.884 23.725 45.736 1.00 56.76 C +ATOM 538 C ASP B 89 56.486 23.504 45.151 1.00 56.66 C +ATOM 539 O ASP B 89 56.313 22.699 44.227 1.00 56.75 O +ATOM 540 CB ASP B 89 58.236 22.512 46.611 1.00 56.74 C +ATOM 541 CG ASP B 89 59.533 22.687 47.378 1.00 56.70 C +ATOM 542 OD1 ASP B 89 60.327 23.591 47.039 1.00 56.70 O +ATOM 543 OD2 ASP B 89 59.842 21.951 48.342 1.00 56.65 O +ATOM 544 N ARG B 90 55.497 24.202 45.709 1.00 56.40 N +ATOM 545 CA ARG B 90 54.103 24.084 45.283 1.00 56.10 C +ATOM 546 C ARG B 90 53.332 25.382 45.542 1.00 55.85 C +ATOM 547 O ARG B 90 53.915 26.402 45.903 1.00 55.70 O +ATOM 548 CB ARG B 90 53.429 22.899 45.993 1.00 56.08 C +ATOM 549 N GLU B 91 52.020 25.338 45.335 1.00 55.59 N +ATOM 550 CA GLU B 91 51.136 26.421 45.743 1.00 55.42 C +ATOM 551 C GLU B 91 51.034 26.466 47.265 1.00 55.06 C +ATOM 552 O GLU B 91 51.427 25.521 47.953 1.00 55.18 O +ATOM 553 CB GLU B 91 49.743 26.225 45.133 1.00 55.49 C +ATOM 554 CG GLU B 91 49.002 24.978 45.608 1.00 55.81 C +ATOM 555 CD GLU B 91 47.845 24.574 44.704 1.00 55.81 C +ATOM 556 OE1 GLU B 91 47.717 25.125 43.585 1.00 56.14 O +ATOM 557 OE2 GLU B 91 47.062 23.687 45.113 1.00 56.35 O +ATOM 558 N THR B 92 50.506 27.564 47.789 1.00 54.57 N +ATOM 559 CA THR B 92 50.198 27.641 49.206 1.00 54.21 C +ATOM 560 C THR B 92 48.985 26.762 49.520 1.00 53.93 C +ATOM 561 O THR B 92 48.244 26.360 48.621 1.00 54.00 O +ATOM 562 CB THR B 92 49.933 29.088 49.615 1.00 54.22 C +ATOM 563 N LYS B 93 48.813 26.446 50.799 1.00 53.46 N +ATOM 564 CA LYS B 93 47.591 25.836 51.309 1.00 53.01 C +ATOM 565 C LYS B 93 47.325 26.474 52.669 1.00 52.75 C +ATOM 566 O LYS B 93 48.259 26.916 53.344 1.00 52.61 O +ATOM 567 CB LYS B 93 47.742 24.318 51.427 1.00 52.89 C +ATOM 568 N LEU B 94 46.059 26.545 53.067 1.00 52.50 N +ATOM 569 CA LEU B 94 45.708 27.181 54.334 1.00 52.32 C +ATOM 570 C LEU B 94 45.051 26.238 55.318 1.00 52.17 C +ATOM 571 O LEU B 94 44.194 25.436 54.943 1.00 52.29 O +ATOM 572 CB LEU B 94 44.766 28.362 54.108 1.00 52.46 C +ATOM 573 CG LEU B 94 45.276 29.707 53.584 1.00 52.29 C +ATOM 574 CD1 LEU B 94 44.079 30.630 53.415 1.00 52.03 C +ATOM 575 CD2 LEU B 94 46.310 30.331 54.513 1.00 51.46 C +ATOM 576 N THR B 95 45.468 26.341 56.577 1.00 51.86 N +ATOM 577 CA THR B 95 44.729 25.756 57.683 1.00 51.45 C +ATOM 578 C THR B 95 44.041 26.912 58.418 1.00 51.30 C +ATOM 579 O THR B 95 44.698 27.823 58.931 1.00 51.25 O +ATOM 580 CB THR B 95 45.645 24.961 58.604 1.00 51.01 C +ATOM 581 N LEU B 96 42.710 26.881 58.408 1.00 51.14 N +ATOM 582 CA LEU B 96 41.860 27.840 59.111 1.00 50.77 C +ATOM 583 C LEU B 96 41.241 27.057 60.264 1.00 50.65 C +ATOM 584 O LEU B 96 40.560 26.050 60.033 1.00 50.61 O +ATOM 585 CB LEU B 96 40.767 28.320 58.163 1.00 50.62 C +ATOM 586 CG LEU B 96 40.503 29.805 57.946 1.00 50.80 C +ATOM 587 CD1 LEU B 96 41.787 30.574 57.684 1.00 50.94 C +ATOM 588 CD2 LEU B 96 39.539 29.974 56.779 1.00 50.90 C +ATOM 589 N VAL B 97 41.492 27.498 61.498 1.00 50.40 N +ATOM 590 CA VAL B 97 41.178 26.678 62.681 1.00 49.96 C +ATOM 591 C VAL B 97 40.146 27.318 63.613 1.00 49.79 C +ATOM 592 O VAL B 97 40.370 28.397 64.159 1.00 49.82 O +ATOM 593 CB VAL B 97 42.466 26.209 63.443 1.00 49.91 C +ATOM 594 CG1 VAL B 97 43.734 26.632 62.701 1.00 49.70 C +ATOM 595 CG2 VAL B 97 42.505 26.708 64.873 1.00 49.99 C +ATOM 596 N PHE B 98 39.013 26.643 63.772 1.00 49.67 N +ATOM 597 CA PHE B 98 37.886 27.163 64.539 1.00 49.71 C +ATOM 598 C PHE B 98 37.537 26.244 65.690 1.00 49.86 C +ATOM 599 O PHE B 98 38.033 25.116 65.776 1.00 49.95 O +ATOM 600 CB PHE B 98 36.642 27.255 63.657 1.00 49.73 C +ATOM 601 CG PHE B 98 36.798 28.136 62.459 1.00 49.76 C +ATOM 602 CD1 PHE B 98 37.178 27.601 61.235 1.00 49.90 C +ATOM 603 CD2 PHE B 98 36.542 29.498 62.547 1.00 49.72 C +ATOM 604 CE1 PHE B 98 37.323 28.414 60.124 1.00 49.83 C +ATOM 605 CE2 PHE B 98 36.683 30.318 61.443 1.00 49.41 C +ATOM 606 CZ PHE B 98 37.068 29.775 60.230 1.00 49.84 C +ATOM 607 N GLU B 99 36.647 26.711 66.561 1.00 49.92 N +ATOM 608 CA GLU B 99 36.054 25.826 67.554 1.00 49.91 C +ATOM 609 C GLU B 99 35.208 24.762 66.837 1.00 49.91 C +ATOM 610 O GLU B 99 34.497 25.062 65.867 1.00 50.04 O +ATOM 611 CB GLU B 99 35.255 26.610 68.615 1.00 49.82 C +ATOM 612 CG GLU B 99 33.962 27.275 68.150 1.00 50.04 C +ATOM 613 CD GLU B 99 33.119 27.841 69.291 1.00 50.05 C +ATOM 614 OE1 GLU B 99 33.140 27.303 70.415 1.00 50.43 O +ATOM 615 OE2 GLU B 99 32.417 28.842 69.069 1.00 51.19 O +ATOM 616 N HIS B 100 35.333 23.514 67.281 1.00 49.81 N +ATOM 617 CA HIS B 100 34.507 22.433 66.755 1.00 49.68 C +ATOM 618 C HIS B 100 33.144 22.422 67.445 1.00 49.72 C +ATOM 619 O HIS B 100 33.043 22.698 68.641 1.00 49.71 O +ATOM 620 CB HIS B 100 35.195 21.077 66.910 1.00 49.51 C +ATOM 621 CG HIS B 100 34.316 19.921 66.554 1.00 49.47 C +ATOM 622 ND1 HIS B 100 33.869 19.011 67.486 1.00 49.39 N +ATOM 623 CD2 HIS B 100 33.775 19.545 65.371 1.00 49.47 C +ATOM 624 CE1 HIS B 100 33.106 18.112 66.889 1.00 49.21 C +ATOM 625 NE2 HIS B 100 33.032 18.414 65.605 1.00 48.91 N +ATOM 626 N VAL B 101 32.100 22.134 66.676 1.00 49.67 N +ATOM 627 CA VAL B 101 30.752 22.020 67.214 1.00 49.62 C +ATOM 628 C VAL B 101 30.206 20.675 66.756 1.00 49.79 C +ATOM 629 O VAL B 101 30.524 20.201 65.666 1.00 49.72 O +ATOM 630 CB VAL B 101 29.856 23.248 66.846 1.00 49.59 C +ATOM 631 CG1 VAL B 101 28.392 22.988 67.111 1.00 49.60 C +ATOM 632 CG2 VAL B 101 30.283 24.460 67.641 1.00 49.53 C +ATOM 633 N ASP B 102 29.402 20.065 67.618 1.00 50.18 N +ATOM 634 CA ASP B 102 29.112 18.638 67.564 1.00 50.57 C +ATOM 635 C ASP B 102 28.404 18.177 66.290 1.00 50.74 C +ATOM 636 O ASP B 102 28.716 17.122 65.728 1.00 50.63 O +ATOM 637 CB ASP B 102 28.296 18.250 68.798 1.00 50.62 C +ATOM 638 CG ASP B 102 28.092 16.760 68.913 1.00 50.58 C +ATOM 639 OD1 ASP B 102 29.070 16.002 68.718 1.00 51.08 O +ATOM 640 OD2 ASP B 102 26.986 16.261 69.198 1.00 50.09 O +ATOM 641 N GLN B 103 27.444 18.981 65.856 1.00 51.02 N +ATOM 642 CA GLN B 103 26.623 18.661 64.712 1.00 51.52 C +ATOM 643 C GLN B 103 26.058 19.969 64.208 1.00 51.44 C +ATOM 644 O GLN B 103 26.219 21.005 64.857 1.00 51.59 O +ATOM 645 CB GLN B 103 25.494 17.727 65.122 1.00 51.30 C +ATOM 646 CG GLN B 103 24.633 18.285 66.243 1.00 52.19 C +ATOM 647 CD GLN B 103 23.375 17.466 66.500 1.00 52.89 C +ATOM 648 OE1 GLN B 103 23.126 16.441 65.839 1.00 54.75 O +ATOM 649 NE2 GLN B 103 22.566 17.913 67.462 1.00 54.47 N +ATOM 650 N ASP B 104 25.407 19.920 63.050 1.00 51.47 N +ATOM 651 CA ASP B 104 24.716 21.084 62.499 1.00 51.38 C +ATOM 652 C ASP B 104 23.219 20.929 62.744 1.00 51.20 C +ATOM 653 O ASP B 104 22.795 19.909 63.280 1.00 51.46 O +ATOM 654 CB ASP B 104 25.022 21.227 61.001 1.00 51.36 C +ATOM 655 CG ASP B 104 24.429 20.102 60.161 1.00 51.40 C +ATOM 656 OD1 ASP B 104 23.990 19.071 60.721 1.00 51.20 O +ATOM 657 OD2 ASP B 104 24.370 20.167 58.916 1.00 51.57 O +ATOM 658 N LEU B 105 22.422 21.921 62.351 1.00 50.91 N +ATOM 659 CA LEU B 105 20.972 21.799 62.448 1.00 50.66 C +ATOM 660 C LEU B 105 20.435 20.656 61.572 1.00 50.74 C +ATOM 661 O LEU B 105 19.525 19.941 62.005 1.00 50.70 O +ATOM 662 CB LEU B 105 20.271 23.123 62.120 1.00 50.44 C +ATOM 663 CG LEU B 105 18.841 23.265 62.655 1.00 50.06 C +ATOM 664 CD1 LEU B 105 18.841 23.525 64.150 1.00 49.92 C +ATOM 665 CD2 LEU B 105 18.075 24.359 61.941 1.00 49.39 C +ATOM 666 N THR B 106 21.010 20.478 60.372 1.00 50.73 N +ATOM 667 CA THR B 106 20.594 19.410 59.426 1.00 50.76 C +ATOM 668 C THR B 106 20.609 18.037 60.086 1.00 50.66 C +ATOM 669 O THR B 106 19.548 17.442 60.283 1.00 50.46 O +ATOM 670 CB THR B 106 21.442 19.416 58.092 1.00 50.89 C +ATOM 671 OG1 THR B 106 20.779 20.192 57.085 1.00 50.88 O +ATOM 672 CG2 THR B 106 21.499 18.027 57.444 1.00 50.13 C +ATOM 673 N THR B 107 21.812 17.571 60.438 1.00 50.72 N +ATOM 674 CA THR B 107 22.041 16.275 61.097 1.00 50.82 C +ATOM 675 C THR B 107 21.193 16.119 62.354 1.00 50.93 C +ATOM 676 O THR B 107 20.659 15.047 62.622 1.00 50.64 O +ATOM 677 CB THR B 107 23.550 16.103 61.432 1.00 50.77 C +ATOM 678 OG1 THR B 107 24.292 15.944 60.219 1.00 50.52 O +ATOM 679 CG2 THR B 107 23.823 14.798 62.181 1.00 50.41 C +ATOM 680 N TYR B 108 21.072 17.203 63.111 1.00 51.27 N +ATOM 681 CA TYR B 108 20.255 17.212 64.306 1.00 51.84 C +ATOM 682 C TYR B 108 18.769 16.977 64.014 1.00 52.07 C +ATOM 683 O TYR B 108 18.111 16.203 64.724 1.00 52.06 O +ATOM 684 CB TYR B 108 20.449 18.517 65.070 1.00 52.01 C +ATOM 685 CG TYR B 108 19.428 18.719 66.153 1.00 52.67 C +ATOM 686 CD1 TYR B 108 19.271 17.783 67.176 1.00 53.21 C +ATOM 687 CD2 TYR B 108 18.601 19.835 66.147 1.00 53.59 C +ATOM 688 CE1 TYR B 108 18.316 17.955 68.163 1.00 53.54 C +ATOM 689 CE2 TYR B 108 17.644 20.021 67.135 1.00 53.87 C +ATOM 690 CZ TYR B 108 17.509 19.079 68.140 1.00 53.25 C +ATOM 691 OH TYR B 108 16.565 19.260 69.123 1.00 53.31 O +ATOM 692 N LEU B 109 18.251 17.646 62.982 1.00 52.29 N +ATOM 693 CA LEU B 109 16.873 17.445 62.536 1.00 52.46 C +ATOM 694 C LEU B 109 16.685 16.032 62.004 1.00 52.71 C +ATOM 695 O LEU B 109 15.575 15.493 62.028 1.00 52.95 O +ATOM 696 CB LEU B 109 16.496 18.443 61.443 1.00 52.48 C +ATOM 697 CG LEU B 109 16.357 19.936 61.759 1.00 52.95 C +ATOM 698 CD1 LEU B 109 16.131 20.693 60.456 1.00 52.79 C +ATOM 699 CD2 LEU B 109 15.246 20.234 62.768 1.00 52.57 C +ATOM 700 N ASP B 110 17.778 15.439 61.527 1.00 52.80 N +ATOM 701 CA ASP B 110 17.776 14.079 61.001 1.00 52.80 C +ATOM 702 C ASP B 110 17.847 13.019 62.127 1.00 52.74 C +ATOM 703 O ASP B 110 17.296 11.917 61.998 1.00 52.66 O +ATOM 704 CB ASP B 110 18.933 13.930 60.008 1.00 52.73 C +ATOM 705 CG ASP B 110 18.851 12.659 59.176 1.00 53.68 C +ATOM 706 OD1 ASP B 110 19.790 12.435 58.389 1.00 54.93 O +ATOM 707 OD2 ASP B 110 17.916 11.824 59.219 1.00 54.75 O +ATOM 708 N LYS B 111 18.505 13.366 63.232 1.00 52.65 N +ATOM 709 CA LYS B 111 18.742 12.426 64.326 1.00 52.46 C +ATOM 710 C LYS B 111 17.669 12.466 65.410 1.00 52.42 C +ATOM 711 O LYS B 111 17.448 11.463 66.094 1.00 52.58 O +ATOM 712 CB LYS B 111 20.119 12.655 64.941 1.00 52.44 C +ATOM 713 N VAL B 112 17.008 13.614 65.564 1.00 52.25 N +ATOM 714 CA VAL B 112 16.049 13.822 66.661 1.00 52.06 C +ATOM 715 C VAL B 112 14.909 12.789 66.696 1.00 52.05 C +ATOM 716 O VAL B 112 14.229 12.573 65.690 1.00 52.11 O +ATOM 717 CB VAL B 112 15.489 15.279 66.680 1.00 52.06 C +ATOM 718 CG1 VAL B 112 14.663 15.588 65.426 1.00 51.56 C +ATOM 719 CG2 VAL B 112 14.686 15.538 67.952 1.00 51.82 C +ATOM 720 N PRO B 113 14.718 12.136 67.845 1.00 51.99 N +ATOM 721 CA PRO B 113 13.636 11.164 68.013 1.00 51.91 C +ATOM 722 C PRO B 113 12.251 11.735 67.702 1.00 51.87 C +ATOM 723 O PRO B 113 12.051 12.953 67.727 1.00 51.86 O +ATOM 724 CB PRO B 113 13.725 10.796 69.499 1.00 51.78 C +ATOM 725 CG PRO B 113 15.128 11.028 69.850 1.00 51.93 C +ATOM 726 CD PRO B 113 15.535 12.253 69.068 1.00 52.03 C +ATOM 727 N GLU B 114 11.311 10.842 67.407 1.00 51.80 N +ATOM 728 CA GLU B 114 9.916 11.206 67.178 1.00 51.77 C +ATOM 729 C GLU B 114 9.279 11.665 68.500 1.00 51.70 C +ATOM 730 O GLU B 114 9.672 11.182 69.559 1.00 51.78 O +ATOM 731 CB GLU B 114 9.154 10.009 66.596 1.00 51.80 C +ATOM 732 CG GLU B 114 9.965 9.118 65.654 1.00 51.86 C +ATOM 733 CD GLU B 114 10.152 9.691 64.253 1.00 51.94 C +ATOM 734 OE1 GLU B 114 10.133 8.884 63.294 1.00 51.29 O +ATOM 735 OE2 GLU B 114 10.330 10.929 64.102 1.00 51.85 O +ATOM 736 N PRO B 115 8.316 12.590 68.465 1.00 51.63 N +ATOM 737 CA PRO B 115 7.803 13.194 67.239 1.00 51.69 C +ATOM 738 C PRO B 115 8.520 14.495 66.886 1.00 51.76 C +ATOM 739 O PRO B 115 7.931 15.570 66.999 1.00 51.79 O +ATOM 740 CB PRO B 115 6.343 13.484 67.599 1.00 51.71 C +ATOM 741 CG PRO B 115 6.340 13.667 69.122 1.00 51.47 C +ATOM 742 CD PRO B 115 7.632 13.119 69.659 1.00 51.46 C +ATOM 743 N GLY B 116 9.780 14.392 66.467 1.00 51.81 N +ATOM 744 CA GLY B 116 10.590 15.571 66.157 1.00 51.97 C +ATOM 745 C GLY B 116 11.043 16.320 67.394 1.00 51.97 C +ATOM 746 O GLY B 116 10.921 15.806 68.510 1.00 51.87 O +ATOM 747 N VAL B 117 11.561 17.533 67.189 1.00 52.17 N +ATOM 748 CA VAL B 117 12.100 18.380 68.280 1.00 52.42 C +ATOM 749 C VAL B 117 10.993 18.984 69.175 1.00 52.47 C +ATOM 750 O VAL B 117 9.970 19.450 68.656 1.00 52.60 O +ATOM 751 CB VAL B 117 13.065 19.508 67.751 1.00 52.45 C +ATOM 752 CG1 VAL B 117 14.193 18.923 66.919 1.00 52.86 C +ATOM 753 CG2 VAL B 117 12.338 20.553 66.924 1.00 52.37 C +ATOM 754 N PRO B 118 11.166 18.945 70.503 1.00 52.36 N +ATOM 755 CA PRO B 118 10.190 19.563 71.411 1.00 52.27 C +ATOM 756 C PRO B 118 10.013 21.056 71.135 1.00 52.46 C +ATOM 757 O PRO B 118 10.993 21.770 70.884 1.00 52.12 O +ATOM 758 CB PRO B 118 10.774 19.326 72.809 1.00 52.14 C +ATOM 759 CG PRO B 118 12.145 18.814 72.610 1.00 52.25 C +ATOM 760 CD PRO B 118 12.263 18.281 71.228 1.00 52.22 C +ATOM 761 N THR B 119 8.757 21.499 71.169 1.00 52.69 N +ATOM 762 CA THR B 119 8.373 22.884 70.861 1.00 52.87 C +ATOM 763 C THR B 119 9.173 23.897 71.669 1.00 52.91 C +ATOM 764 O THR B 119 9.552 24.956 71.162 1.00 53.13 O +ATOM 765 CB THR B 119 6.870 23.099 71.143 1.00 52.97 C +ATOM 766 OG1 THR B 119 6.586 22.722 72.498 1.00 52.83 O +ATOM 767 CG2 THR B 119 5.998 22.151 70.294 1.00 52.92 C +ATOM 768 N GLU B 120 9.410 23.565 72.934 1.00 52.84 N +ATOM 769 CA GLU B 120 10.211 24.400 73.806 1.00 52.80 C +ATOM 770 C GLU B 120 11.692 24.480 73.396 1.00 52.39 C +ATOM 771 O GLU B 120 12.362 25.495 73.651 1.00 52.20 O +ATOM 772 CB GLU B 120 10.046 23.964 75.260 1.00 53.06 C +ATOM 773 CG GLU B 120 9.084 24.855 76.036 1.00 54.77 C +ATOM 774 CD GLU B 120 9.525 26.324 76.085 1.00 56.79 C +ATOM 775 OE1 GLU B 120 10.754 26.603 76.132 1.00 57.56 O +ATOM 776 OE2 GLU B 120 8.638 27.213 76.081 1.00 57.39 O +ATOM 777 N THR B 121 12.197 23.422 72.759 1.00 51.77 N +ATOM 778 CA THR B 121 13.507 23.493 72.121 1.00 51.03 C +ATOM 779 C THR B 121 13.384 24.379 70.885 1.00 50.53 C +ATOM 780 O THR B 121 14.180 25.294 70.704 1.00 50.27 O +ATOM 781 CB THR B 121 14.027 22.094 71.735 1.00 51.15 C +ATOM 782 OG1 THR B 121 14.027 21.233 72.880 1.00 50.46 O +ATOM 783 CG2 THR B 121 15.497 22.175 71.342 1.00 51.11 C +ATOM 784 N ILE B 122 12.369 24.111 70.057 1.00 50.07 N +ATOM 785 CA ILE B 122 12.082 24.922 68.871 1.00 49.47 C +ATOM 786 C ILE B 122 12.143 26.394 69.216 1.00 49.45 C +ATOM 787 O ILE B 122 12.800 27.163 68.523 1.00 49.60 O +ATOM 788 CB ILE B 122 10.707 24.573 68.231 1.00 49.34 C +ATOM 789 CG1 ILE B 122 10.820 23.300 67.399 1.00 48.99 C +ATOM 790 CG2 ILE B 122 10.202 25.723 67.353 1.00 48.68 C +ATOM 791 CD1 ILE B 122 9.628 23.013 66.506 1.00 49.14 C +ATOM 792 N LYS B 123 11.478 26.776 70.299 1.00 49.30 N +ATOM 793 CA LYS B 123 11.447 28.175 70.722 1.00 49.38 C +ATOM 794 C LYS B 123 12.845 28.734 71.061 1.00 49.11 C +ATOM 795 O LYS B 123 13.189 29.853 70.687 1.00 48.62 O +ATOM 796 CB LYS B 123 10.480 28.332 71.901 1.00 49.39 C +ATOM 797 CG LYS B 123 9.993 29.753 72.120 1.00 49.25 C +ATOM 798 CD LYS B 123 8.970 29.815 73.226 1.00 48.86 C +ATOM 799 CE LYS B 123 7.588 29.493 72.714 1.00 48.66 C +ATOM 800 NZ LYS B 123 6.569 29.784 73.757 1.00 48.83 N +ATOM 801 N ASP B 124 13.639 27.912 71.738 1.00 49.40 N +ATOM 802 CA ASP B 124 14.954 28.281 72.260 1.00 49.72 C +ATOM 803 C ASP B 124 15.988 28.415 71.138 1.00 50.15 C +ATOM 804 O ASP B 124 16.706 29.427 71.059 1.00 50.20 O +ATOM 805 CB ASP B 124 15.368 27.261 73.346 1.00 49.56 C +ATOM 806 CG ASP B 124 16.854 27.263 73.648 1.00 49.23 C +ATOM 807 OD1 ASP B 124 17.217 27.691 74.758 1.00 48.70 O +ATOM 808 OD2 ASP B 124 17.728 26.836 72.856 1.00 49.35 O +ATOM 809 N MET B 125 16.056 27.405 70.274 1.00 50.49 N +ATOM 810 CA MET B 125 16.940 27.458 69.112 1.00 51.22 C +ATOM 811 C MET B 125 16.638 28.707 68.281 1.00 51.02 C +ATOM 812 O MET B 125 17.538 29.459 67.919 1.00 50.93 O +ATOM 813 CB MET B 125 16.807 26.197 68.257 1.00 51.14 C +ATOM 814 CG MET B 125 16.802 24.904 69.058 1.00 51.90 C +ATOM 815 SD MET B 125 17.947 23.648 68.446 1.00 52.31 S +ATOM 816 CE MET B 125 19.447 24.180 69.273 1.00 53.70 C +ATOM 817 N MET B 126 15.358 28.929 68.016 1.00 51.14 N +ATOM 818 CA MET B 126 14.898 30.143 67.371 1.00 51.20 C +ATOM 819 C MET B 126 15.399 31.376 68.070 1.00 51.22 C +ATOM 820 O MET B 126 15.909 32.296 67.420 1.00 51.02 O +ATOM 821 CB MET B 126 13.380 30.173 67.339 1.00 51.34 C +ATOM 822 CG MET B 126 12.858 29.391 66.198 1.00 52.16 C +ATOM 823 SD MET B 126 13.834 29.856 64.763 1.00 54.12 S +ATOM 824 CE MET B 126 13.050 31.433 64.396 1.00 55.01 C +ATOM 825 N PHE B 127 15.248 31.387 69.395 1.00 51.29 N +ATOM 826 CA PHE B 127 15.686 32.515 70.196 1.00 51.27 C +ATOM 827 C PHE B 127 17.174 32.802 69.974 1.00 51.54 C +ATOM 828 O PHE B 127 17.534 33.858 69.435 1.00 51.40 O +ATOM 829 CB PHE B 127 15.388 32.304 71.676 1.00 50.74 C +ATOM 830 CG PHE B 127 15.709 33.501 72.517 1.00 50.76 C +ATOM 831 CD1 PHE B 127 14.967 34.673 72.397 1.00 50.37 C +ATOM 832 CD2 PHE B 127 16.777 33.480 73.409 1.00 51.22 C +ATOM 833 CE1 PHE B 127 15.274 35.797 73.172 1.00 50.31 C +ATOM 834 CE2 PHE B 127 17.089 34.599 74.192 1.00 50.68 C +ATOM 835 CZ PHE B 127 16.338 35.756 74.073 1.00 50.49 C +ATOM 836 N GLN B 128 18.018 31.847 70.370 1.00 51.79 N +ATOM 837 CA GLN B 128 19.471 31.951 70.218 1.00 52.07 C +ATOM 838 C GLN B 128 19.881 32.417 68.831 1.00 52.15 C +ATOM 839 O GLN B 128 20.689 33.332 68.679 1.00 52.06 O +ATOM 840 CB GLN B 128 20.119 30.599 70.471 1.00 52.11 C +ATOM 841 CG GLN B 128 19.854 30.016 71.829 1.00 52.41 C +ATOM 842 CD GLN B 128 20.667 28.768 72.069 1.00 53.11 C +ATOM 843 OE1 GLN B 128 21.765 28.625 71.523 1.00 52.58 O +ATOM 844 NE2 GLN B 128 20.136 27.856 72.888 1.00 53.51 N +ATOM 845 N LEU B 129 19.313 31.763 67.829 1.00 52.43 N +ATOM 846 CA LEU B 129 19.543 32.092 66.441 1.00 52.81 C +ATOM 847 C LEU B 129 19.261 33.555 66.143 1.00 53.06 C +ATOM 848 O LEU B 129 20.131 34.253 65.642 1.00 53.28 O +ATOM 849 CB LEU B 129 18.659 31.220 65.576 1.00 52.83 C +ATOM 850 CG LEU B 129 19.199 30.914 64.197 1.00 53.11 C +ATOM 851 CD1 LEU B 129 18.918 29.451 63.933 1.00 53.91 C +ATOM 852 CD2 LEU B 129 18.550 31.811 63.159 1.00 53.48 C +ATOM 853 N LEU B 130 18.049 34.019 66.445 1.00 53.51 N +ATOM 854 CA LEU B 130 17.709 35.435 66.271 1.00 53.82 C +ATOM 855 C LEU B 130 18.653 36.337 67.065 1.00 54.23 C +ATOM 856 O LEU B 130 19.086 37.387 66.575 1.00 54.60 O +ATOM 857 CB LEU B 130 16.256 35.710 66.661 1.00 53.62 C +ATOM 858 CG LEU B 130 15.171 35.383 65.634 1.00 53.48 C +ATOM 859 CD1 LEU B 130 13.811 35.389 66.300 1.00 53.29 C +ATOM 860 CD2 LEU B 130 15.193 36.364 64.462 1.00 53.17 C +ATOM 861 N ARG B 131 18.985 35.908 68.278 1.00 54.55 N +ATOM 862 CA ARG B 131 19.868 36.662 69.159 1.00 54.94 C +ATOM 863 C ARG B 131 21.249 36.920 68.531 1.00 54.90 C +ATOM 864 O ARG B 131 21.723 38.062 68.510 1.00 54.94 O +ATOM 865 CB ARG B 131 19.988 35.940 70.498 1.00 55.14 C +ATOM 866 CG ARG B 131 20.430 36.812 71.634 1.00 55.93 C +ATOM 867 CD ARG B 131 20.041 36.275 72.977 1.00 57.42 C +ATOM 868 NE ARG B 131 21.111 36.499 73.935 1.00 59.61 N +ATOM 869 CZ ARG B 131 21.012 36.285 75.244 1.00 62.20 C +ATOM 870 NH1 ARG B 131 19.876 35.838 75.783 1.00 61.95 N +ATOM 871 NH2 ARG B 131 22.062 36.528 76.030 1.00 64.08 N +ATOM 872 N GLY B 132 21.873 35.862 68.012 1.00 54.69 N +ATOM 873 CA GLY B 132 23.138 35.979 67.300 1.00 54.40 C +ATOM 874 C GLY B 132 22.993 36.870 66.077 1.00 54.64 C +ATOM 875 O GLY B 132 23.917 37.628 65.719 1.00 55.28 O +ATOM 876 N LEU B 133 21.830 36.797 65.434 1.00 54.13 N +ATOM 877 CA LEU B 133 21.573 37.595 64.234 1.00 53.58 C +ATOM 878 C LEU B 133 21.545 39.082 64.578 1.00 53.25 C +ATOM 879 O LEU B 133 22.217 39.889 63.921 1.00 52.50 O +ATOM 880 CB LEU B 133 20.257 37.168 63.587 1.00 53.37 C +ATOM 881 CG LEU B 133 20.320 36.964 62.081 1.00 53.08 C +ATOM 882 CD1 LEU B 133 21.368 35.927 61.698 1.00 51.89 C +ATOM 883 CD2 LEU B 133 18.974 36.498 61.653 1.00 54.09 C +ATOM 884 N ASP B 134 20.777 39.406 65.628 1.00 52.95 N +ATOM 885 CA ASP B 134 20.640 40.755 66.164 1.00 52.69 C +ATOM 886 C ASP B 134 21.994 41.403 66.305 1.00 52.53 C +ATOM 887 O ASP B 134 22.239 42.506 65.790 1.00 52.15 O +ATOM 888 CB ASP B 134 20.006 40.694 67.546 1.00 52.90 C +ATOM 889 CG ASP B 134 19.647 42.073 68.087 1.00 53.41 C +ATOM 890 OD1 ASP B 134 18.892 42.783 67.377 1.00 55.60 O +ATOM 891 OD2 ASP B 134 20.049 42.524 69.193 1.00 51.16 O +ATOM 892 N PHE B 135 22.857 40.690 67.025 1.00 52.46 N +ATOM 893 CA PHE B 135 24.240 41.065 67.243 1.00 52.46 C +ATOM 894 C PHE B 135 24.883 41.468 65.928 1.00 51.90 C +ATOM 895 O PHE B 135 25.225 42.628 65.724 1.00 51.42 O +ATOM 896 CB PHE B 135 24.990 39.886 67.878 1.00 52.86 C +ATOM 897 CG PHE B 135 26.459 40.143 68.109 1.00 54.21 C +ATOM 898 CD1 PHE B 135 26.883 41.161 68.994 1.00 55.51 C +ATOM 899 CD2 PHE B 135 27.424 39.368 67.455 1.00 54.49 C +ATOM 900 CE1 PHE B 135 28.260 41.409 69.222 1.00 55.46 C +ATOM 901 CE2 PHE B 135 28.800 39.602 67.664 1.00 55.29 C +ATOM 902 CZ PHE B 135 29.223 40.627 68.550 1.00 55.05 C +ATOM 903 N LEU B 136 25.000 40.487 65.041 1.00 51.69 N +ATOM 904 CA LEU B 136 25.636 40.621 63.738 1.00 51.58 C +ATOM 905 C LEU B 136 25.150 41.832 62.948 1.00 51.36 C +ATOM 906 O LEU B 136 25.956 42.572 62.400 1.00 51.33 O +ATOM 907 CB LEU B 136 25.344 39.356 62.946 1.00 52.05 C +ATOM 908 CG LEU B 136 26.455 38.496 62.369 1.00 52.12 C +ATOM 909 CD1 LEU B 136 27.538 38.275 63.396 1.00 53.06 C +ATOM 910 CD2 LEU B 136 25.854 37.167 61.921 1.00 51.47 C +ATOM 911 N HIS B 137 23.834 42.030 62.892 1.00 51.21 N +ATOM 912 CA HIS B 137 23.255 43.182 62.207 1.00 50.97 C +ATOM 913 C HIS B 137 23.598 44.504 62.894 1.00 51.06 C +ATOM 914 O HIS B 137 23.865 45.490 62.240 1.00 50.99 O +ATOM 915 CB HIS B 137 21.740 43.044 62.085 1.00 50.74 C +ATOM 916 CG HIS B 137 21.296 41.920 61.196 1.00 50.85 C +ATOM 917 ND1 HIS B 137 19.978 41.514 61.114 1.00 50.95 N +ATOM 918 CD2 HIS B 137 21.992 41.106 60.364 1.00 50.40 C +ATOM 919 CE1 HIS B 137 19.880 40.515 60.254 1.00 50.74 C +ATOM 920 NE2 HIS B 137 21.088 40.243 59.790 1.00 49.84 N +ATOM 921 N SER B 138 23.603 44.531 64.217 1.00 51.57 N +ATOM 922 CA SER B 138 23.870 45.782 64.924 1.00 51.76 C +ATOM 923 C SER B 138 25.333 46.212 64.771 1.00 51.97 C +ATOM 924 O SER B 138 25.716 47.309 65.204 1.00 52.51 O +ATOM 925 CB SER B 138 23.523 45.640 66.393 1.00 51.42 C +ATOM 926 OG SER B 138 24.452 44.769 66.990 1.00 52.08 O +ATOM 927 N HIS B 139 26.154 45.343 64.177 1.00 51.78 N +ATOM 928 CA HIS B 139 27.528 45.699 63.835 1.00 51.28 C +ATOM 929 C HIS B 139 27.657 45.820 62.324 1.00 51.50 C +ATOM 930 O HIS B 139 28.766 45.841 61.772 1.00 51.98 O +ATOM 931 CB HIS B 139 28.507 44.699 64.418 1.00 50.97 C +ATOM 932 CG HIS B 139 28.737 44.892 65.883 1.00 51.32 C +ATOM 933 ND1 HIS B 139 28.123 44.118 66.845 1.00 50.61 N +ATOM 934 CD2 HIS B 139 29.491 45.794 66.553 1.00 50.85 C +ATOM 935 CE1 HIS B 139 28.509 44.521 68.042 1.00 50.29 C +ATOM 936 NE2 HIS B 139 29.332 45.543 67.892 1.00 49.78 N +ATOM 937 N ARG B 140 26.500 45.917 61.661 1.00 51.18 N +ATOM 938 CA ARG B 140 26.417 46.217 60.240 1.00 50.26 C +ATOM 939 C ARG B 140 26.917 45.049 59.402 1.00 50.36 C +ATOM 940 O ARG B 140 27.269 45.231 58.236 1.00 50.84 O +ATOM 941 CB ARG B 140 27.195 47.506 59.927 1.00 50.31 C +ATOM 942 CG ARG B 140 26.544 48.770 60.467 1.00 49.56 C +ATOM 943 CD ARG B 140 27.425 49.998 60.450 1.00 49.31 C +ATOM 944 NE ARG B 140 28.464 49.956 59.421 1.00 48.65 N +ATOM 945 CZ ARG B 140 28.503 50.745 58.345 1.00 47.67 C +ATOM 946 NH1 ARG B 140 27.554 51.636 58.132 1.00 49.05 N +ATOM 947 NH2 ARG B 140 29.490 50.644 57.475 1.00 46.24 N +ATOM 948 N VAL B 141 26.962 43.860 59.996 1.00 50.01 N +ATOM 949 CA VAL B 141 27.323 42.655 59.259 1.00 50.35 C +ATOM 950 C VAL B 141 26.053 41.943 58.833 1.00 50.82 C +ATOM 951 O VAL B 141 25.142 41.767 59.635 1.00 51.22 O +ATOM 952 CB VAL B 141 28.144 41.667 60.113 1.00 50.23 C +ATOM 953 CG1 VAL B 141 28.557 40.439 59.285 1.00 49.45 C +ATOM 954 CG2 VAL B 141 29.352 42.357 60.743 1.00 50.18 C +ATOM 955 N VAL B 142 25.980 41.549 57.570 1.00 51.46 N +ATOM 956 CA VAL B 142 24.892 40.685 57.120 1.00 52.34 C +ATOM 957 C VAL B 142 25.502 39.341 56.761 1.00 53.00 C +ATOM 958 O VAL B 142 26.496 39.290 56.021 1.00 53.33 O +ATOM 959 CB VAL B 142 24.084 41.255 55.923 1.00 52.19 C +ATOM 960 CG1 VAL B 142 22.774 40.507 55.776 1.00 51.83 C +ATOM 961 CG2 VAL B 142 23.784 42.709 56.127 1.00 52.05 C +ATOM 962 N HIS B 143 24.937 38.271 57.325 1.00 53.41 N +ATOM 963 CA HIS B 143 25.433 36.928 57.093 1.00 54.01 C +ATOM 964 C HIS B 143 24.491 36.352 56.087 1.00 54.69 C +ATOM 965 O HIS B 143 23.524 35.678 56.450 1.00 55.99 O +ATOM 966 CB HIS B 143 25.413 36.082 58.374 1.00 53.75 C +ATOM 967 CG HIS B 143 25.856 34.658 58.169 1.00 53.40 C +ATOM 968 ND1 HIS B 143 25.097 33.729 57.482 1.00 51.71 N +ATOM 969 CD2 HIS B 143 26.975 34.005 58.568 1.00 52.40 C +ATOM 970 CE1 HIS B 143 25.738 32.576 57.453 1.00 51.13 C +ATOM 971 NE2 HIS B 143 26.878 32.716 58.106 1.00 51.38 N +ATOM 972 N ARG B 144 24.779 36.587 54.822 1.00 54.69 N +ATOM 973 CA ARG B 144 23.802 36.370 53.782 1.00 55.27 C +ATOM 974 C ARG B 144 23.795 34.919 53.253 1.00 55.75 C +ATOM 975 O ARG B 144 23.518 34.671 52.073 1.00 56.39 O +ATOM 976 CB ARG B 144 24.060 37.391 52.673 1.00 55.50 C +ATOM 977 CG ARG B 144 24.455 38.770 53.218 1.00 55.88 C +ATOM 978 CD ARG B 144 24.922 39.763 52.190 1.00 55.43 C +ATOM 979 NE ARG B 144 26.069 39.259 51.446 1.00 56.81 N +ATOM 980 CZ ARG B 144 26.615 39.879 50.405 1.00 56.96 C +ATOM 981 NH1 ARG B 144 26.132 41.042 49.969 1.00 55.98 N +ATOM 982 NH2 ARG B 144 27.649 39.329 49.791 1.00 57.28 N +ATOM 983 N ASP B 145 24.085 33.958 54.126 1.00 55.91 N +ATOM 984 CA ASP B 145 24.192 32.552 53.724 1.00 55.88 C +ATOM 985 C ASP B 145 23.660 31.676 54.856 1.00 55.89 C +ATOM 986 O ASP B 145 24.218 30.630 55.199 1.00 55.90 O +ATOM 987 CB ASP B 145 25.641 32.221 53.346 1.00 55.78 C +ATOM 988 CG ASP B 145 25.806 30.831 52.767 1.00 56.60 C +ATOM 989 OD1 ASP B 145 24.876 30.318 52.085 1.00 57.67 O +ATOM 990 OD2 ASP B 145 26.860 30.178 52.940 1.00 57.09 O +ATOM 991 N LEU B 146 22.547 32.129 55.419 1.00 55.88 N +ATOM 992 CA LEU B 146 21.879 31.445 56.502 1.00 55.90 C +ATOM 993 C LEU B 146 21.102 30.215 56.059 1.00 55.79 C +ATOM 994 O LEU B 146 20.024 30.340 55.477 1.00 55.75 O +ATOM 995 CB LEU B 146 20.929 32.417 57.194 1.00 56.17 C +ATOM 996 CG LEU B 146 21.506 33.222 58.348 1.00 56.31 C +ATOM 997 CD1 LEU B 146 20.369 33.963 58.995 1.00 56.91 C +ATOM 998 CD2 LEU B 146 22.183 32.298 59.350 1.00 55.38 C +ATOM 999 N LYS B 147 21.645 29.035 56.366 1.00 55.76 N +ATOM 1000 CA LYS B 147 20.993 27.745 56.075 1.00 55.59 C +ATOM 1001 C LYS B 147 21.223 26.714 57.206 1.00 55.66 C +ATOM 1002 O LYS B 147 22.225 26.809 57.920 1.00 55.61 O +ATOM 1003 CB LYS B 147 21.475 27.202 54.722 1.00 55.46 C +ATOM 1004 CG LYS B 147 22.970 26.916 54.635 1.00 55.43 C +ATOM 1005 CD LYS B 147 23.435 26.875 53.196 1.00 55.87 C +ATOM 1006 CE LYS B 147 24.873 26.395 53.091 1.00 56.61 C +ATOM 1007 NZ LYS B 147 25.552 26.944 51.873 1.00 57.63 N +ATOM 1008 N PRO B 148 20.304 25.750 57.390 1.00 55.73 N +ATOM 1009 CA PRO B 148 20.487 24.674 58.371 1.00 55.75 C +ATOM 1010 C PRO B 148 21.891 24.058 58.464 1.00 55.93 C +ATOM 1011 O PRO B 148 22.328 23.737 59.570 1.00 56.24 O +ATOM 1012 CB PRO B 148 19.464 23.640 57.927 1.00 55.44 C +ATOM 1013 CG PRO B 148 18.343 24.480 57.473 1.00 55.23 C +ATOM 1014 CD PRO B 148 18.990 25.623 56.729 1.00 55.68 C +ATOM 1015 N GLN B 149 22.597 23.913 57.344 1.00 55.82 N +ATOM 1016 CA GLN B 149 23.976 23.406 57.381 1.00 55.78 C +ATOM 1017 C GLN B 149 24.988 24.373 57.997 1.00 55.46 C +ATOM 1018 O GLN B 149 26.050 23.954 58.464 1.00 55.54 O +ATOM 1019 CB GLN B 149 24.423 23.008 55.994 1.00 55.72 C +ATOM 1020 CG GLN B 149 23.634 21.853 55.492 1.00 57.57 C +ATOM 1021 CD GLN B 149 23.024 22.118 54.143 1.00 59.84 C +ATOM 1022 OE1 GLN B 149 23.676 22.681 53.251 1.00 60.52 O +ATOM 1023 NE2 GLN B 149 21.767 21.704 53.977 1.00 60.88 N +ATOM 1024 N ASN B 150 24.659 25.661 57.989 1.00 55.03 N +ATOM 1025 CA ASN B 150 25.517 26.679 58.588 1.00 54.55 C +ATOM 1026 C ASN B 150 25.156 26.946 60.062 1.00 54.11 C +ATOM 1027 O ASN B 150 25.946 27.531 60.804 1.00 54.48 O +ATOM 1028 CB ASN B 150 25.490 27.981 57.761 1.00 54.42 C +ATOM 1029 CG ASN B 150 26.226 27.857 56.405 1.00 55.06 C +ATOM 1030 OD1 ASN B 150 26.986 26.912 56.158 1.00 55.11 O +ATOM 1031 ND2 ASN B 150 26.002 28.833 55.531 1.00 55.40 N +ATOM 1032 N ILE B 151 23.969 26.523 60.487 1.00 53.14 N +ATOM 1033 CA ILE B 151 23.574 26.697 61.874 1.00 52.37 C +ATOM 1034 C ILE B 151 24.051 25.501 62.671 1.00 52.13 C +ATOM 1035 O ILE B 151 23.676 24.371 62.387 1.00 52.24 O +ATOM 1036 CB ILE B 151 22.054 26.852 61.994 1.00 52.41 C +ATOM 1037 CG1 ILE B 151 21.613 28.165 61.363 1.00 51.78 C +ATOM 1038 CG2 ILE B 151 21.604 26.781 63.462 1.00 51.95 C +ATOM 1039 CD1 ILE B 151 20.197 28.113 60.895 1.00 51.70 C +ATOM 1040 N LEU B 152 24.865 25.764 63.683 1.00 51.85 N +ATOM 1041 CA LEU B 152 25.492 24.710 64.468 1.00 51.53 C +ATOM 1042 C LEU B 152 24.893 24.580 65.857 1.00 51.49 C +ATOM 1043 O LEU B 152 24.609 25.581 66.517 1.00 51.40 O +ATOM 1044 CB LEU B 152 26.997 24.951 64.581 1.00 51.47 C +ATOM 1045 CG LEU B 152 27.774 25.178 63.288 1.00 50.44 C +ATOM 1046 CD1 LEU B 152 29.219 25.274 63.645 1.00 48.82 C +ATOM 1047 CD2 LEU B 152 27.526 24.061 62.282 1.00 49.71 C +ATOM 1048 N VAL B 153 24.719 23.329 66.280 1.00 51.48 N +ATOM 1049 CA VAL B 153 24.157 22.976 67.579 1.00 51.29 C +ATOM 1050 C VAL B 153 25.220 22.268 68.407 1.00 51.18 C +ATOM 1051 O VAL B 153 25.723 21.206 68.028 1.00 51.11 O +ATOM 1052 CB VAL B 153 22.903 22.067 67.425 1.00 51.38 C +ATOM 1053 CG1 VAL B 153 22.557 21.357 68.730 1.00 51.16 C +ATOM 1054 CG2 VAL B 153 21.711 22.867 66.914 1.00 51.28 C +ATOM 1055 N THR B 154 25.560 22.870 69.538 1.00 51.12 N +ATOM 1056 CA THR B 154 26.542 22.301 70.451 1.00 51.20 C +ATOM 1057 C THR B 154 25.933 21.128 71.245 1.00 50.88 C +ATOM 1058 O THR B 154 24.743 20.841 71.087 1.00 50.76 O +ATOM 1059 CB THR B 154 27.101 23.428 71.356 1.00 51.43 C +ATOM 1060 OG1 THR B 154 28.522 23.281 71.488 1.00 52.21 O +ATOM 1061 CG2 THR B 154 26.551 23.350 72.791 1.00 51.02 C +ATOM 1062 N SER B 155 26.740 20.445 72.065 1.00 50.59 N +ATOM 1063 CA SER B 155 26.257 19.303 72.878 1.00 50.16 C +ATOM 1064 C SER B 155 25.216 19.670 73.931 1.00 50.03 C +ATOM 1065 O SER B 155 24.278 18.919 74.170 1.00 49.94 O +ATOM 1066 CB SER B 155 27.413 18.565 73.547 1.00 50.12 C +ATOM 1067 OG SER B 155 27.711 17.373 72.851 1.00 49.79 O +ATOM 1068 N SER B 156 25.399 20.825 74.560 1.00 50.15 N +ATOM 1069 CA SER B 156 24.401 21.410 75.456 1.00 50.17 C +ATOM 1070 C SER B 156 23.222 22.042 74.682 1.00 50.25 C +ATOM 1071 O SER B 156 22.352 22.680 75.272 1.00 50.31 O +ATOM 1072 CB SER B 156 25.066 22.449 76.372 1.00 50.13 C +ATOM 1073 OG SER B 156 25.391 23.643 75.669 1.00 50.07 O +ATOM 1074 N GLY B 157 23.203 21.874 73.362 1.00 50.31 N +ATOM 1075 CA GLY B 157 22.115 22.383 72.530 1.00 50.08 C +ATOM 1076 C GLY B 157 22.149 23.888 72.345 1.00 50.09 C +ATOM 1077 O GLY B 157 21.101 24.541 72.354 1.00 50.18 O +ATOM 1078 N GLN B 158 23.356 24.431 72.170 1.00 49.97 N +ATOM 1079 CA GLN B 158 23.556 25.854 71.893 1.00 49.58 C +ATOM 1080 C GLN B 158 23.753 26.134 70.395 1.00 49.21 C +ATOM 1081 O GLN B 158 24.241 25.274 69.657 1.00 48.89 O +ATOM 1082 CB GLN B 158 24.748 26.376 72.690 1.00 49.70 C +ATOM 1083 CG GLN B 158 24.549 27.784 73.214 1.00 50.25 C +ATOM 1084 CD GLN B 158 25.839 28.563 73.353 1.00 50.68 C +ATOM 1085 OE1 GLN B 158 25.806 29.772 73.547 1.00 50.59 O +ATOM 1086 NE2 GLN B 158 26.974 27.879 73.254 1.00 51.49 N +ATOM 1087 N ILE B 159 23.382 27.345 69.969 1.00 49.05 N +ATOM 1088 CA ILE B 159 23.399 27.761 68.547 1.00 49.00 C +ATOM 1089 C ILE B 159 24.634 28.575 68.153 1.00 48.84 C +ATOM 1090 O ILE B 159 24.989 29.553 68.815 1.00 49.25 O +ATOM 1091 CB ILE B 159 22.097 28.559 68.181 1.00 49.02 C +ATOM 1092 CG1 ILE B 159 20.843 27.663 68.269 1.00 49.33 C +ATOM 1093 CG2 ILE B 159 22.222 29.266 66.819 1.00 48.60 C +ATOM 1094 CD1 ILE B 159 20.748 26.535 67.243 1.00 48.98 C +ATOM 1095 N LYS B 160 25.286 28.174 67.072 1.00 48.40 N +ATOM 1096 CA LYS B 160 26.373 28.959 66.535 1.00 48.10 C +ATOM 1097 C LYS B 160 26.100 29.153 65.070 1.00 48.79 C +ATOM 1098 O LYS B 160 25.881 28.176 64.365 1.00 49.04 O +ATOM 1099 CB LYS B 160 27.699 28.222 66.669 1.00 47.64 C +ATOM 1100 CG LYS B 160 28.075 27.785 68.050 1.00 45.56 C +ATOM 1101 CD LYS B 160 28.590 28.913 68.898 1.00 42.57 C +ATOM 1102 CE LYS B 160 29.446 28.344 70.001 1.00 41.14 C +ATOM 1103 NZ LYS B 160 29.126 28.934 71.318 1.00 40.75 N +ATOM 1104 N LEU B 161 26.108 30.404 64.608 1.00 49.52 N +ATOM 1105 CA LEU B 161 26.144 30.698 63.168 1.00 50.05 C +ATOM 1106 C LEU B 161 27.542 30.386 62.627 1.00 50.31 C +ATOM 1107 O LEU B 161 28.547 30.773 63.240 1.00 50.39 O +ATOM 1108 CB LEU B 161 25.778 32.164 62.900 1.00 50.13 C +ATOM 1109 CG LEU B 161 24.411 32.647 63.401 1.00 51.11 C +ATOM 1110 CD1 LEU B 161 24.292 34.166 63.458 1.00 51.74 C +ATOM 1111 CD2 LEU B 161 23.297 32.071 62.560 1.00 52.59 C +ATOM 1112 N ALA B 162 27.616 29.670 61.506 1.00 50.51 N +ATOM 1113 CA ALA B 162 28.914 29.323 60.940 1.00 51.31 C +ATOM 1114 C ALA B 162 29.044 29.745 59.486 1.00 52.09 C +ATOM 1115 O ALA B 162 28.146 30.384 58.947 1.00 52.61 O +ATOM 1116 CB ALA B 162 29.190 27.861 61.093 1.00 51.31 C +ATOM 1117 N ASP B 163 30.167 29.374 58.864 1.00 52.78 N +ATOM 1118 CA ASP B 163 30.554 29.823 57.522 1.00 53.09 C +ATOM 1119 C ASP B 163 30.213 31.287 57.267 1.00 52.76 C +ATOM 1120 O ASP B 163 29.108 31.602 56.826 1.00 52.44 O +ATOM 1121 CB ASP B 163 29.941 28.934 56.429 1.00 53.28 C +ATOM 1122 CG ASP B 163 30.542 29.217 55.048 1.00 55.17 C +ATOM 1123 OD1 ASP B 163 30.848 30.404 54.730 1.00 55.42 O +ATOM 1124 OD2 ASP B 163 30.753 28.307 54.212 1.00 56.89 O +ATOM 1125 N PHE B 164 31.172 32.165 57.541 1.00 52.73 N +ATOM 1126 CA PHE B 164 30.999 33.611 57.328 1.00 52.72 C +ATOM 1127 C PHE B 164 31.595 34.107 56.010 1.00 52.88 C +ATOM 1128 O PHE B 164 31.865 35.304 55.843 1.00 53.31 O +ATOM 1129 CB PHE B 164 31.573 34.405 58.504 1.00 52.25 C +ATOM 1130 CG PHE B 164 30.645 34.489 59.670 1.00 52.31 C +ATOM 1131 CD1 PHE B 164 29.873 35.628 59.878 1.00 52.54 C +ATOM 1132 CD2 PHE B 164 30.504 33.420 60.542 1.00 51.63 C +ATOM 1133 CE1 PHE B 164 28.999 35.716 60.955 1.00 51.22 C +ATOM 1134 CE2 PHE B 164 29.633 33.502 61.615 1.00 51.34 C +ATOM 1135 CZ PHE B 164 28.882 34.652 61.819 1.00 51.51 C +ATOM 1136 N GLY B 165 31.763 33.190 55.060 1.00 52.83 N +ATOM 1137 CA GLY B 165 32.489 33.495 53.824 1.00 52.32 C +ATOM 1138 C GLY B 165 31.718 34.289 52.796 1.00 51.89 C +ATOM 1139 O GLY B 165 32.250 34.599 51.741 1.00 51.99 O +ATOM 1140 N LEU B 166 30.464 34.608 53.100 1.00 51.59 N +ATOM 1141 CA LEU B 166 29.616 35.389 52.213 1.00 51.39 C +ATOM 1142 C LEU B 166 29.061 36.588 52.988 1.00 51.65 C +ATOM 1143 O LEU B 166 28.202 37.329 52.482 1.00 51.61 O +ATOM 1144 CB LEU B 166 28.475 34.519 51.683 1.00 51.23 C +ATOM 1145 CG LEU B 166 28.301 34.353 50.172 1.00 50.72 C +ATOM 1146 CD1 LEU B 166 29.405 33.491 49.592 1.00 50.30 C +ATOM 1147 CD2 LEU B 166 26.969 33.705 49.880 1.00 51.19 C +ATOM 1148 N ALA B 167 29.551 36.759 54.220 1.00 51.79 N +ATOM 1149 CA ALA B 167 29.112 37.836 55.108 1.00 52.12 C +ATOM 1150 C ALA B 167 29.883 39.051 54.722 1.00 52.63 C +ATOM 1151 O ALA B 167 31.046 38.933 54.310 1.00 53.47 O +ATOM 1152 CB ALA B 167 29.401 37.507 56.564 1.00 51.94 C +ATOM 1153 N ARG B 168 29.266 40.222 54.850 1.00 52.48 N +ATOM 1154 CA ARG B 168 30.012 41.462 54.661 1.00 52.24 C +ATOM 1155 C ARG B 168 29.372 42.635 55.381 1.00 51.64 C +ATOM 1156 O ARG B 168 28.166 42.625 55.633 1.00 51.66 O +ATOM 1157 CB ARG B 168 30.275 41.754 53.168 1.00 52.33 C +ATOM 1158 CG ARG B 168 29.056 41.783 52.256 1.00 52.62 C +ATOM 1159 CD ARG B 168 29.412 41.810 50.765 1.00 53.23 C +ATOM 1160 NE ARG B 168 30.490 42.750 50.444 1.00 55.56 N +ATOM 1161 CZ ARG B 168 30.342 43.887 49.761 1.00 56.80 C +ATOM 1162 NH1 ARG B 168 29.153 44.260 49.292 1.00 56.64 N +ATOM 1163 NH2 ARG B 168 31.404 44.652 49.531 1.00 57.89 N +ATOM 1164 N ILE B 169 30.199 43.625 55.720 1.00 51.04 N +ATOM 1165 CA ILE B 169 29.745 44.864 56.338 1.00 50.41 C +ATOM 1166 C ILE B 169 28.978 45.700 55.343 1.00 50.49 C +ATOM 1167 O ILE B 169 29.478 45.973 54.262 1.00 50.46 O +ATOM 1168 CB ILE B 169 30.929 45.638 56.856 1.00 50.01 C +ATOM 1169 CG1 ILE B 169 31.544 44.851 58.012 1.00 50.25 C +ATOM 1170 CG2 ILE B 169 30.490 47.018 57.263 1.00 49.29 C +ATOM 1171 CD1 ILE B 169 32.726 45.476 58.668 1.00 50.53 C +ATOM 1172 N TYR B 170 27.757 46.086 55.701 1.00 50.78 N +ATOM 1173 CA TYR B 170 26.904 46.835 54.784 1.00 51.12 C +ATOM 1174 C TYR B 170 26.969 48.323 54.956 1.00 50.53 C +ATOM 1175 O TYR B 170 26.828 48.848 56.072 1.00 50.73 O +ATOM 1176 CB TYR B 170 25.457 46.438 54.929 1.00 52.26 C +ATOM 1177 CG TYR B 170 24.978 45.568 53.810 1.00 54.40 C +ATOM 1178 CD1 TYR B 170 25.649 44.383 53.509 1.00 55.89 C +ATOM 1179 CD2 TYR B 170 23.845 45.911 53.061 1.00 54.68 C +ATOM 1180 CE1 TYR B 170 25.216 43.561 52.503 1.00 56.64 C +ATOM 1181 CE2 TYR B 170 23.407 45.097 52.044 1.00 55.49 C +ATOM 1182 CZ TYR B 170 24.094 43.905 51.762 1.00 56.16 C +ATOM 1183 OH TYR B 170 23.688 43.028 50.736 1.00 56.74 O +ATOM 1184 N SER B 171 27.162 48.995 53.826 1.00 49.33 N +ATOM 1185 CA SER B 171 27.173 50.441 53.782 1.00 47.85 C +ATOM 1186 C SER B 171 26.314 50.890 52.623 1.00 47.14 C +ATOM 1187 O SER B 171 26.338 50.306 51.557 1.00 46.96 O +ATOM 1188 CB SER B 171 28.591 50.966 53.647 1.00 47.35 C +ATOM 1189 OG SER B 171 29.435 50.197 54.460 1.00 45.83 O +ATOM 1190 N PHE B 172 25.523 51.912 52.896 1.00 46.63 N +ATOM 1191 CA PHE B 172 24.747 52.642 51.933 1.00 46.10 C +ATOM 1192 C PHE B 172 25.500 52.800 50.625 1.00 46.62 C +ATOM 1193 O PHE B 172 26.737 53.019 50.588 1.00 46.72 O +ATOM 1194 CB PHE B 172 24.425 54.005 52.537 1.00 45.59 C +ATOM 1195 CG PHE B 172 23.396 54.783 51.795 1.00 44.84 C +ATOM 1196 CD1 PHE B 172 22.124 54.275 51.601 1.00 43.16 C +ATOM 1197 CD2 PHE B 172 23.695 56.061 51.320 1.00 45.47 C +ATOM 1198 CE1 PHE B 172 21.171 55.013 50.937 1.00 43.02 C +ATOM 1199 CE2 PHE B 172 22.748 56.816 50.643 1.00 44.25 C +ATOM 1200 CZ PHE B 172 21.481 56.290 50.454 1.00 44.54 C +ATOM 1201 N GLN B 173 24.728 52.652 49.556 1.00 46.61 N +ATOM 1202 CA GLN B 173 25.190 52.811 48.203 1.00 46.84 C +ATOM 1203 C GLN B 173 26.333 51.898 47.821 1.00 46.65 C +ATOM 1204 O GLN B 173 26.924 52.116 46.791 1.00 46.92 O +ATOM 1205 CB GLN B 173 25.559 54.258 47.917 1.00 47.00 C +ATOM 1206 CG GLN B 173 24.422 55.228 48.119 1.00 49.88 C +ATOM 1207 CD GLN B 173 24.534 56.486 47.249 1.00 54.61 C +ATOM 1208 OE1 GLN B 173 23.752 56.647 46.291 1.00 56.73 O +ATOM 1209 NE2 GLN B 173 25.506 57.370 47.559 1.00 54.42 N +ATOM 1210 N MET B 174 26.644 50.874 48.603 1.00 46.94 N +ATOM 1211 CA MET B 174 27.674 49.919 48.182 1.00 47.88 C +ATOM 1212 C MET B 174 27.211 49.006 47.015 1.00 48.68 C +ATOM 1213 O MET B 174 26.017 48.776 46.817 1.00 48.90 O +ATOM 1214 CB MET B 174 28.198 49.106 49.372 1.00 47.55 C +ATOM 1215 CG MET B 174 27.510 47.768 49.614 1.00 48.40 C +ATOM 1216 SD MET B 174 27.986 46.847 51.109 1.00 48.82 S +ATOM 1217 CE MET B 174 29.769 47.130 51.176 1.00 53.95 C +ATOM 1218 N ALA B 175 28.163 48.502 46.235 1.00 49.47 N +ATOM 1219 CA ALA B 175 27.866 47.594 45.140 1.00 49.86 C +ATOM 1220 C ALA B 175 27.539 46.211 45.693 1.00 50.74 C +ATOM 1221 O ALA B 175 28.068 45.829 46.742 1.00 51.06 O +ATOM 1222 CB ALA B 175 29.033 47.524 44.247 1.00 49.77 C +ATOM 1223 N LEU B 176 26.664 45.478 44.995 1.00 51.65 N +ATOM 1224 CA LEU B 176 26.200 44.140 45.407 1.00 52.43 C +ATOM 1225 C LEU B 176 26.322 43.117 44.281 1.00 53.66 C +ATOM 1226 O LEU B 176 26.018 43.430 43.122 1.00 53.87 O +ATOM 1227 CB LEU B 176 24.734 44.185 45.849 1.00 51.77 C +ATOM 1228 CG LEU B 176 24.349 44.979 47.103 1.00 51.88 C +ATOM 1229 CD1 LEU B 176 22.858 44.904 47.441 1.00 49.76 C +ATOM 1230 CD2 LEU B 176 25.174 44.542 48.302 1.00 52.38 C +ATOM 1231 N THR B 177 26.758 41.895 44.608 1.00 55.17 N +ATOM 1232 CA THR B 177 26.546 40.756 43.692 1.00 56.32 C +ATOM 1233 C THR B 177 25.082 40.362 43.749 1.00 57.11 C +ATOM 1234 O THR B 177 24.487 40.239 44.836 1.00 56.74 O +ATOM 1235 CB THR B 177 27.397 39.493 44.018 1.00 56.39 C +ATOM 1236 OG1 THR B 177 27.659 39.419 45.429 1.00 57.05 O +ATOM 1237 CG2 THR B 177 28.786 39.528 43.330 1.00 56.21 C +ATOM 1238 N SER B 178 24.514 40.163 42.565 1.00 58.21 N +ATOM 1239 CA SER B 178 23.141 39.703 42.434 1.00 59.26 C +ATOM 1240 C SER B 178 22.958 38.252 42.930 1.00 59.89 C +ATOM 1241 O SER B 178 21.832 37.742 42.946 1.00 59.78 O +ATOM 1242 CB SER B 178 22.647 39.881 40.976 1.00 59.53 C +ATOM 1243 OG SER B 178 23.702 40.109 40.042 1.00 58.69 O +ATOM 1244 N VAL B 179 24.060 37.627 43.379 1.00 60.77 N +ATOM 1245 CA VAL B 179 24.137 36.165 43.668 1.00 61.17 C +ATOM 1246 C VAL B 179 24.602 35.743 45.093 1.00 61.12 C +ATOM 1247 O VAL B 179 25.795 35.566 45.363 1.00 61.05 O +ATOM 1248 CB VAL B 179 24.984 35.435 42.588 1.00 61.38 C +ATOM 1249 CG1 VAL B 179 24.077 34.597 41.650 1.00 61.18 C +ATOM 1250 CG2 VAL B 179 25.894 36.447 41.816 1.00 60.98 C +ATOM 1251 N VAL B 180 23.621 35.531 45.966 1.00 61.00 N +ATOM 1252 CA VAL B 180 23.817 35.375 47.402 1.00 60.98 C +ATOM 1253 C VAL B 180 22.737 34.405 47.943 1.00 61.13 C +ATOM 1254 O VAL B 180 21.691 34.251 47.299 1.00 61.44 O +ATOM 1255 CB VAL B 180 23.734 36.781 48.064 1.00 61.20 C +ATOM 1256 CG1 VAL B 180 23.080 36.755 49.449 1.00 61.07 C +ATOM 1257 CG2 VAL B 180 25.114 37.460 48.092 1.00 61.16 C +ATOM 1258 N VAL B 181 22.980 33.775 49.105 1.00 60.86 N +ATOM 1259 CA VAL B 181 22.130 32.675 49.689 1.00 60.68 C +ATOM 1260 C VAL B 181 21.907 31.477 48.745 1.00 60.58 C +ATOM 1261 O VAL B 181 21.749 31.656 47.541 1.00 60.93 O +ATOM 1262 CB VAL B 181 20.730 33.140 50.245 1.00 60.42 C +ATOM 1263 CG1 VAL B 181 20.246 32.183 51.300 1.00 60.09 C +ATOM 1264 CG2 VAL B 181 20.773 34.529 50.838 1.00 59.98 C +ATOM 1265 N THR B 182 21.890 30.261 49.289 1.00 60.53 N +ATOM 1266 CA THR B 182 21.594 29.052 48.483 1.00 60.60 C +ATOM 1267 C THR B 182 20.119 29.036 48.062 1.00 60.14 C +ATOM 1268 O THR B 182 19.283 29.639 48.736 1.00 60.21 O +ATOM 1269 CB THR B 182 21.963 27.755 49.270 1.00 60.83 C +ATOM 1270 OG1 THR B 182 23.326 27.830 49.718 1.00 61.58 O +ATOM 1271 CG2 THR B 182 21.955 26.514 48.359 1.00 60.82 C +ATOM 1272 N LEU B 183 19.807 28.343 46.967 1.00 59.69 N +ATOM 1273 CA LEU B 183 18.462 28.370 46.360 1.00 59.40 C +ATOM 1274 C LEU B 183 17.259 28.351 47.331 1.00 59.21 C +ATOM 1275 O LEU B 183 16.431 29.268 47.313 1.00 58.99 O +ATOM 1276 CB LEU B 183 18.323 27.276 45.295 1.00 59.17 C +ATOM 1277 N TRP B 184 17.181 27.323 48.176 1.00 59.12 N +ATOM 1278 CA TRP B 184 16.011 27.081 49.037 1.00 59.00 C +ATOM 1279 C TRP B 184 15.668 28.223 49.982 1.00 58.80 C +ATOM 1280 O TRP B 184 14.495 28.466 50.254 1.00 58.72 O +ATOM 1281 CB TRP B 184 16.197 25.802 49.859 1.00 59.30 C +ATOM 1282 CG TRP B 184 16.276 24.537 49.040 1.00 59.79 C +ATOM 1283 CD1 TRP B 184 15.294 23.582 48.881 1.00 59.77 C +ATOM 1284 CD2 TRP B 184 17.403 24.077 48.283 1.00 60.34 C +ATOM 1285 NE1 TRP B 184 15.739 22.568 48.063 1.00 60.17 N +ATOM 1286 CE2 TRP B 184 17.031 22.842 47.680 1.00 61.13 C +ATOM 1287 CE3 TRP B 184 18.698 24.579 48.048 1.00 59.19 C +ATOM 1288 CZ2 TRP B 184 17.910 22.110 46.853 1.00 60.62 C +ATOM 1289 CZ3 TRP B 184 19.566 23.855 47.227 1.00 59.63 C +ATOM 1290 CH2 TRP B 184 19.168 22.635 46.639 1.00 59.79 C +ATOM 1291 N TYR B 185 16.697 28.917 50.467 1.00 58.80 N +ATOM 1292 CA TYR B 185 16.561 29.907 51.538 1.00 58.72 C +ATOM 1293 C TYR B 185 16.777 31.349 51.056 1.00 58.51 C +ATOM 1294 O TYR B 185 16.934 32.272 51.874 1.00 58.68 O +ATOM 1295 CB TYR B 185 17.498 29.553 52.714 1.00 58.96 C +ATOM 1296 CG TYR B 185 17.476 28.075 53.088 1.00 59.71 C +ATOM 1297 CD1 TYR B 185 16.425 27.536 53.844 1.00 60.50 C +ATOM 1298 CD2 TYR B 185 18.487 27.205 52.658 1.00 60.41 C +ATOM 1299 CE1 TYR B 185 16.384 26.164 54.171 1.00 60.16 C +ATOM 1300 CE2 TYR B 185 18.453 25.828 52.981 1.00 60.17 C +ATOM 1301 CZ TYR B 185 17.399 25.321 53.737 1.00 59.66 C +ATOM 1302 OH TYR B 185 17.364 23.982 54.062 1.00 58.91 O +ATOM 1303 N ARG B 186 16.783 31.531 49.734 1.00 58.10 N +ATOM 1304 CA ARG B 186 16.838 32.852 49.099 1.00 57.82 C +ATOM 1305 C ARG B 186 15.548 33.623 49.289 1.00 57.50 C +ATOM 1306 O ARG B 186 14.475 33.019 49.403 1.00 57.58 O +ATOM 1307 CB ARG B 186 17.057 32.704 47.605 1.00 57.98 C +ATOM 1308 CG ARG B 186 18.472 32.919 47.172 1.00 58.96 C +ATOM 1309 CD ARG B 186 18.848 32.173 45.900 1.00 59.64 C +ATOM 1310 NE ARG B 186 20.118 32.677 45.415 1.00 60.35 N +ATOM 1311 CZ ARG B 186 20.842 32.117 44.466 1.00 61.69 C +ATOM 1312 NH1 ARG B 186 20.433 30.999 43.871 1.00 60.94 N +ATOM 1313 NH2 ARG B 186 21.992 32.693 44.110 1.00 63.22 N +ATOM 1314 N ALA B 187 15.654 34.952 49.292 1.00 56.94 N +ATOM 1315 CA ALA B 187 14.491 35.831 49.417 1.00 56.48 C +ATOM 1316 C ALA B 187 13.983 36.376 48.068 1.00 56.30 C +ATOM 1317 O ALA B 187 14.757 36.533 47.112 1.00 56.44 O +ATOM 1318 CB ALA B 187 14.804 36.961 50.346 1.00 56.51 C +ATOM 1319 N PRO B 188 12.682 36.655 47.985 1.00 55.84 N +ATOM 1320 CA PRO B 188 12.115 37.249 46.782 1.00 55.56 C +ATOM 1321 C PRO B 188 12.921 38.432 46.222 1.00 55.40 C +ATOM 1322 O PRO B 188 13.061 38.536 45.012 1.00 55.65 O +ATOM 1323 CB PRO B 188 10.699 37.674 47.204 1.00 55.51 C +ATOM 1324 CG PRO B 188 10.512 37.229 48.631 1.00 55.61 C +ATOM 1325 CD PRO B 188 11.660 36.377 49.011 1.00 55.79 C +ATOM 1326 N GLU B 189 13.464 39.305 47.065 1.00 55.30 N +ATOM 1327 CA GLU B 189 14.225 40.457 46.538 1.00 55.25 C +ATOM 1328 C GLU B 189 15.446 40.023 45.746 1.00 54.47 C +ATOM 1329 O GLU B 189 15.766 40.618 44.717 1.00 54.20 O +ATOM 1330 CB GLU B 189 14.687 41.417 47.637 1.00 55.65 C +ATOM 1331 CG GLU B 189 13.766 41.512 48.832 1.00 57.49 C +ATOM 1332 CD GLU B 189 14.223 40.649 49.989 1.00 59.42 C +ATOM 1333 OE1 GLU B 189 15.362 40.136 49.945 1.00 61.40 O +ATOM 1334 OE2 GLU B 189 13.450 40.501 50.954 1.00 59.90 O +ATOM 1335 N VAL B 190 16.138 39.005 46.251 1.00 53.70 N +ATOM 1336 CA VAL B 190 17.301 38.464 45.571 1.00 52.95 C +ATOM 1337 C VAL B 190 16.849 37.790 44.284 1.00 52.65 C +ATOM 1338 O VAL B 190 17.423 38.039 43.233 1.00 52.83 O +ATOM 1339 CB VAL B 190 18.068 37.467 46.447 1.00 53.00 C +ATOM 1340 CG1 VAL B 190 19.302 36.962 45.722 1.00 52.82 C +ATOM 1341 CG2 VAL B 190 18.462 38.110 47.758 1.00 52.70 C +ATOM 1342 N LEU B 191 15.808 36.960 44.359 1.00 52.11 N +ATOM 1343 CA LEU B 191 15.273 36.282 43.165 1.00 51.40 C +ATOM 1344 C LEU B 191 14.880 37.261 42.074 1.00 51.15 C +ATOM 1345 O LEU B 191 15.181 37.037 40.902 1.00 51.43 O +ATOM 1346 CB LEU B 191 14.080 35.397 43.514 1.00 51.04 C +ATOM 1347 CG LEU B 191 14.406 34.283 44.498 1.00 50.73 C +ATOM 1348 CD1 LEU B 191 13.138 33.542 44.855 1.00 51.06 C +ATOM 1349 CD2 LEU B 191 15.465 33.345 43.929 1.00 49.86 C +ATOM 1350 N LEU B 192 14.226 38.350 42.470 1.00 50.76 N +ATOM 1351 CA LEU B 192 13.792 39.373 41.539 1.00 50.62 C +ATOM 1352 C LEU B 192 14.940 40.231 41.034 1.00 50.79 C +ATOM 1353 O LEU B 192 14.702 41.206 40.329 1.00 50.84 O +ATOM 1354 CB LEU B 192 12.707 40.246 42.169 1.00 50.40 C +ATOM 1355 CG LEU B 192 11.309 39.618 42.242 1.00 50.60 C +ATOM 1356 CD1 LEU B 192 10.535 40.170 43.430 1.00 50.33 C +ATOM 1357 CD2 LEU B 192 10.501 39.777 40.931 1.00 49.90 C +ATOM 1358 N GLN B 193 16.173 39.855 41.380 1.00 51.17 N +ATOM 1359 CA GLN B 193 17.391 40.597 41.005 1.00 52.01 C +ATOM 1360 C GLN B 193 17.378 42.026 41.542 1.00 52.40 C +ATOM 1361 O GLN B 193 17.874 42.971 40.909 1.00 52.29 O +ATOM 1362 CB GLN B 193 17.594 40.607 39.492 1.00 52.34 C +ATOM 1363 CG GLN B 193 17.692 39.232 38.870 1.00 53.92 C +ATOM 1364 CD GLN B 193 19.089 38.654 38.949 1.00 55.23 C +ATOM 1365 OE1 GLN B 193 19.696 38.368 37.907 1.00 57.08 O +ATOM 1366 NE2 GLN B 193 19.607 38.482 40.170 1.00 53.07 N +ATOM 1367 N SER B 194 16.797 42.174 42.725 1.00 52.79 N +ATOM 1368 CA SER B 194 16.616 43.472 43.307 1.00 52.89 C +ATOM 1369 C SER B 194 17.738 43.722 44.281 1.00 52.85 C +ATOM 1370 O SER B 194 18.539 42.831 44.557 1.00 52.64 O +ATOM 1371 CB SER B 194 15.274 43.536 44.011 1.00 52.90 C +ATOM 1372 OG SER B 194 14.995 44.871 44.360 1.00 54.45 O +ATOM 1373 N SER B 195 17.798 44.954 44.773 1.00 53.15 N +ATOM 1374 CA SER B 195 18.742 45.359 45.806 1.00 53.41 C +ATOM 1375 C SER B 195 18.285 44.740 47.123 1.00 53.53 C +ATOM 1376 O SER B 195 17.089 44.535 47.310 1.00 53.74 O +ATOM 1377 CB SER B 195 18.744 46.881 45.880 1.00 53.30 C +ATOM 1378 OG SER B 195 19.586 47.355 46.900 1.00 53.70 O +ATOM 1379 N TYR B 196 19.214 44.434 48.026 1.00 53.89 N +ATOM 1380 CA TYR B 196 18.871 43.723 49.279 1.00 54.60 C +ATOM 1381 C TYR B 196 19.819 44.012 50.461 1.00 55.04 C +ATOM 1382 O TYR B 196 20.832 44.681 50.271 1.00 55.45 O +ATOM 1383 CB TYR B 196 18.839 42.224 49.021 1.00 54.40 C +ATOM 1384 CG TYR B 196 20.176 41.679 48.623 1.00 53.68 C +ATOM 1385 CD1 TYR B 196 20.542 41.642 47.288 1.00 52.16 C +ATOM 1386 CD2 TYR B 196 21.080 41.212 49.584 1.00 53.29 C +ATOM 1387 CE1 TYR B 196 21.756 41.149 46.903 1.00 52.80 C +ATOM 1388 CE2 TYR B 196 22.314 40.709 49.212 1.00 53.82 C +ATOM 1389 CZ TYR B 196 22.639 40.681 47.859 1.00 54.18 C +ATOM 1390 OH TYR B 196 23.852 40.196 47.428 1.00 55.33 O +ATOM 1391 N ALA B 197 19.504 43.494 51.657 1.00 55.20 N +ATOM 1392 CA ALA B 197 20.309 43.759 52.870 1.00 55.33 C +ATOM 1393 C ALA B 197 20.126 42.724 54.002 1.00 55.71 C +ATOM 1394 O ALA B 197 20.207 41.505 53.777 1.00 55.54 O +ATOM 1395 CB ALA B 197 20.023 45.169 53.396 1.00 55.08 C +ATOM 1396 N THR B 198 19.877 43.226 55.218 1.00 55.73 N +ATOM 1397 CA THR B 198 19.594 42.368 56.363 1.00 55.91 C +ATOM 1398 C THR B 198 18.317 41.530 56.231 1.00 55.93 C +ATOM 1399 O THR B 198 18.339 40.365 56.639 1.00 56.47 O +ATOM 1400 CB THR B 198 19.514 43.159 57.690 1.00 55.91 C +ATOM 1401 OG1 THR B 198 18.605 44.256 57.543 1.00 56.70 O +ATOM 1402 CG2 THR B 198 20.842 43.803 58.044 1.00 55.71 C +ATOM 1403 N PRO B 199 17.209 42.069 55.695 1.00 55.53 N +ATOM 1404 CA PRO B 199 15.939 41.351 55.790 1.00 55.26 C +ATOM 1405 C PRO B 199 16.116 39.959 55.178 1.00 55.01 C +ATOM 1406 O PRO B 199 15.412 39.012 55.526 1.00 55.10 O +ATOM 1407 CB PRO B 199 14.978 42.214 54.964 1.00 55.13 C +ATOM 1408 CG PRO B 199 15.567 43.526 54.920 1.00 54.95 C +ATOM 1409 CD PRO B 199 17.050 43.324 54.938 1.00 55.49 C +ATOM 1410 N VAL B 200 17.098 39.869 54.290 1.00 54.67 N +ATOM 1411 CA VAL B 200 17.544 38.638 53.673 1.00 54.05 C +ATOM 1412 C VAL B 200 17.792 37.543 54.723 1.00 53.41 C +ATOM 1413 O VAL B 200 17.301 36.436 54.562 1.00 53.57 O +ATOM 1414 CB VAL B 200 18.786 38.954 52.768 1.00 54.31 C +ATOM 1415 CG1 VAL B 200 19.531 37.704 52.305 1.00 54.25 C +ATOM 1416 CG2 VAL B 200 18.358 39.826 51.583 1.00 53.61 C +ATOM 1417 N ASP B 201 18.508 37.857 55.800 1.00 52.72 N +ATOM 1418 CA ASP B 201 18.762 36.898 56.887 1.00 52.57 C +ATOM 1419 C ASP B 201 17.494 36.428 57.581 1.00 52.08 C +ATOM 1420 O ASP B 201 17.386 35.279 57.984 1.00 52.13 O +ATOM 1421 CB ASP B 201 19.651 37.516 57.965 1.00 53.00 C +ATOM 1422 CG ASP B 201 21.050 37.809 57.479 1.00 53.89 C +ATOM 1423 OD1 ASP B 201 21.342 37.458 56.322 1.00 56.84 O +ATOM 1424 OD2 ASP B 201 21.922 38.387 58.174 1.00 53.74 O +ATOM 1425 N LEU B 202 16.544 37.331 57.738 1.00 51.54 N +ATOM 1426 CA LEU B 202 15.316 37.014 58.430 1.00 51.12 C +ATOM 1427 C LEU B 202 14.396 36.159 57.603 1.00 50.79 C +ATOM 1428 O LEU B 202 13.656 35.337 58.152 1.00 51.01 O +ATOM 1429 CB LEU B 202 14.599 38.288 58.815 1.00 51.29 C +ATOM 1430 CG LEU B 202 15.274 39.018 59.963 1.00 51.31 C +ATOM 1431 CD1 LEU B 202 15.285 40.493 59.610 1.00 53.03 C +ATOM 1432 CD2 LEU B 202 14.571 38.720 61.281 1.00 50.27 C +ATOM 1433 N TRP B 203 14.425 36.366 56.289 1.00 50.52 N +ATOM 1434 CA TRP B 203 13.713 35.491 55.365 1.00 49.99 C +ATOM 1435 C TRP B 203 14.183 34.067 55.620 1.00 49.92 C +ATOM 1436 O TRP B 203 13.377 33.179 55.889 1.00 49.86 O +ATOM 1437 CB TRP B 203 13.952 35.861 53.904 1.00 49.50 C +ATOM 1438 CG TRP B 203 13.216 34.924 53.022 1.00 49.82 C +ATOM 1439 CD1 TRP B 203 13.663 33.731 52.521 1.00 49.77 C +ATOM 1440 CD2 TRP B 203 11.867 35.055 52.581 1.00 50.32 C +ATOM 1441 NE1 TRP B 203 12.675 33.125 51.782 1.00 48.93 N +ATOM 1442 CE2 TRP B 203 11.564 33.922 51.801 1.00 48.84 C +ATOM 1443 CE3 TRP B 203 10.871 36.030 52.761 1.00 51.34 C +ATOM 1444 CZ2 TRP B 203 10.335 33.742 51.212 1.00 48.88 C +ATOM 1445 CZ3 TRP B 203 9.644 35.844 52.167 1.00 49.48 C +ATOM 1446 CH2 TRP B 203 9.389 34.714 51.407 1.00 49.55 C +ATOM 1447 N SER B 204 15.493 33.869 55.550 1.00 49.82 N +ATOM 1448 CA SER B 204 16.090 32.588 55.861 1.00 50.05 C +ATOM 1449 C SER B 204 15.600 32.051 57.192 1.00 49.88 C +ATOM 1450 O SER B 204 15.169 30.906 57.260 1.00 50.14 O +ATOM 1451 CB SER B 204 17.606 32.698 55.865 1.00 50.30 C +ATOM 1452 OG SER B 204 18.058 33.034 54.567 1.00 51.63 O +ATOM 1453 N VAL B 205 15.642 32.872 58.241 1.00 49.67 N +ATOM 1454 CA VAL B 205 15.153 32.440 59.564 1.00 49.35 C +ATOM 1455 C VAL B 205 13.653 32.107 59.534 1.00 49.20 C +ATOM 1456 O VAL B 205 13.197 31.248 60.285 1.00 49.14 O +ATOM 1457 CB VAL B 205 15.471 33.451 60.708 1.00 49.28 C +ATOM 1458 CG1 VAL B 205 15.239 32.817 62.066 1.00 48.73 C +ATOM 1459 CG2 VAL B 205 16.891 33.902 60.635 1.00 49.09 C +ATOM 1460 N GLY B 206 12.900 32.775 58.665 1.00 48.97 N +ATOM 1461 CA GLY B 206 11.513 32.392 58.414 1.00 49.09 C +ATOM 1462 C GLY B 206 11.425 30.967 57.881 1.00 49.13 C +ATOM 1463 O GLY B 206 10.724 30.115 58.446 1.00 49.15 O +ATOM 1464 N CYS B 207 12.158 30.717 56.798 1.00 48.81 N +ATOM 1465 CA CYS B 207 12.287 29.394 56.217 1.00 48.57 C +ATOM 1466 C CYS B 207 12.761 28.356 57.230 1.00 48.44 C +ATOM 1467 O CYS B 207 12.231 27.252 57.284 1.00 48.45 O +ATOM 1468 CB CYS B 207 13.243 29.434 55.024 1.00 48.57 C +ATOM 1469 SG CYS B 207 12.716 30.510 53.666 1.00 49.34 S +ATOM 1470 N ILE B 208 13.751 28.708 58.038 1.00 48.57 N +ATOM 1471 CA ILE B 208 14.304 27.752 58.988 1.00 48.84 C +ATOM 1472 C ILE B 208 13.321 27.435 60.119 1.00 49.19 C +ATOM 1473 O ILE B 208 12.984 26.266 60.344 1.00 49.40 O +ATOM 1474 CB ILE B 208 15.662 28.214 59.502 1.00 48.59 C +ATOM 1475 CG1 ILE B 208 16.664 28.169 58.347 1.00 48.94 C +ATOM 1476 CG2 ILE B 208 16.133 27.280 60.591 1.00 48.82 C +ATOM 1477 CD1 ILE B 208 17.829 29.133 58.447 1.00 49.23 C +ATOM 1478 N PHE B 209 12.858 28.474 60.810 1.00 49.33 N +ATOM 1479 CA PHE B 209 11.732 28.370 61.730 1.00 49.46 C +ATOM 1480 C PHE B 209 10.788 27.242 61.303 1.00 49.74 C +ATOM 1481 O PHE B 209 10.530 26.324 62.076 1.00 49.85 O +ATOM 1482 CB PHE B 209 10.991 29.702 61.741 1.00 49.53 C +ATOM 1483 CG PHE B 209 10.141 29.937 62.953 1.00 49.36 C +ATOM 1484 CD1 PHE B 209 10.259 29.144 64.087 1.00 49.38 C +ATOM 1485 CD2 PHE B 209 9.238 31.000 62.966 1.00 49.77 C +ATOM 1486 CE1 PHE B 209 9.465 29.386 65.213 1.00 50.34 C +ATOM 1487 CE2 PHE B 209 8.444 31.256 64.078 1.00 50.20 C +ATOM 1488 CZ PHE B 209 8.555 30.444 65.207 1.00 50.30 C +ATOM 1489 N ALA B 210 10.304 27.305 60.062 1.00 49.90 N +ATOM 1490 CA ALA B 210 9.369 26.309 59.523 1.00 50.04 C +ATOM 1491 C ALA B 210 9.981 24.920 59.383 1.00 50.12 C +ATOM 1492 O ALA B 210 9.323 23.919 59.648 1.00 50.08 O +ATOM 1493 CB ALA B 210 8.800 26.773 58.178 1.00 49.93 C +ATOM 1494 N GLU B 211 11.238 24.869 58.962 1.00 50.42 N +ATOM 1495 CA GLU B 211 11.923 23.605 58.726 1.00 50.88 C +ATOM 1496 C GLU B 211 12.124 22.878 60.031 1.00 51.02 C +ATOM 1497 O GLU B 211 12.343 21.669 60.051 1.00 51.07 O +ATOM 1498 CB GLU B 211 13.270 23.844 58.049 1.00 51.20 C +ATOM 1499 CG GLU B 211 13.971 22.580 57.565 1.00 51.92 C +ATOM 1500 CD GLU B 211 15.065 22.861 56.543 1.00 53.35 C +ATOM 1501 OE1 GLU B 211 14.982 23.888 55.808 1.00 53.46 O +ATOM 1502 OE2 GLU B 211 16.007 22.035 56.472 1.00 53.54 O +ATOM 1503 N MET B 212 12.052 23.629 61.123 1.00 51.31 N +ATOM 1504 CA MET B 212 12.109 23.044 62.459 1.00 51.65 C +ATOM 1505 C MET B 212 10.850 22.212 62.760 1.00 51.43 C +ATOM 1506 O MET B 212 10.951 21.002 62.955 1.00 51.50 O +ATOM 1507 CB MET B 212 12.346 24.129 63.514 1.00 51.61 C +ATOM 1508 CG MET B 212 13.512 25.032 63.177 1.00 51.79 C +ATOM 1509 SD MET B 212 14.193 25.876 64.602 1.00 52.30 S +ATOM 1510 CE MET B 212 15.016 24.514 65.429 1.00 52.17 C +ATOM 1511 N PHE B 213 9.680 22.856 62.771 1.00 51.24 N +ATOM 1512 CA PHE B 213 8.396 22.170 62.964 1.00 50.99 C +ATOM 1513 C PHE B 213 8.237 21.017 61.978 1.00 50.78 C +ATOM 1514 O PHE B 213 8.184 19.854 62.385 1.00 51.02 O +ATOM 1515 CB PHE B 213 7.210 23.130 62.799 1.00 51.10 C +ATOM 1516 CG PHE B 213 7.131 24.198 63.849 1.00 50.90 C +ATOM 1517 CD1 PHE B 213 6.379 24.000 64.999 1.00 50.49 C +ATOM 1518 CD2 PHE B 213 7.787 25.418 63.669 1.00 51.21 C +ATOM 1519 CE1 PHE B 213 6.289 24.985 65.964 1.00 51.18 C +ATOM 1520 CE2 PHE B 213 7.714 26.420 64.632 1.00 51.23 C +ATOM 1521 CZ PHE B 213 6.967 26.207 65.780 1.00 51.92 C +ATOM 1522 N ARG B 214 8.145 21.350 60.691 1.00 50.38 N +ATOM 1523 CA ARG B 214 8.105 20.349 59.624 1.00 49.96 C +ATOM 1524 C ARG B 214 9.550 20.018 59.269 1.00 49.92 C +ATOM 1525 O ARG B 214 10.213 20.804 58.591 1.00 50.34 O +ATOM 1526 CB ARG B 214 7.337 20.879 58.399 1.00 49.96 C +ATOM 1527 CG ARG B 214 7.644 22.349 58.031 1.00 49.51 C +ATOM 1528 CD ARG B 214 7.421 22.714 56.571 1.00 49.16 C +ATOM 1529 NE ARG B 214 8.157 21.837 55.665 1.00 46.96 N +ATOM 1530 CZ ARG B 214 7.682 21.381 54.512 1.00 46.02 C +ATOM 1531 NH1 ARG B 214 6.462 21.709 54.109 1.00 45.17 N +ATOM 1532 NH2 ARG B 214 8.426 20.581 53.760 1.00 45.65 N +ATOM 1533 N ARG B 215 10.045 18.873 59.742 1.00 49.37 N +ATOM 1534 CA ARG B 215 11.453 18.501 59.554 1.00 48.83 C +ATOM 1535 C ARG B 215 11.753 18.222 58.079 1.00 48.71 C +ATOM 1536 O ARG B 215 12.261 17.159 57.723 1.00 48.78 O +ATOM 1537 CB ARG B 215 11.843 17.304 60.435 1.00 48.80 C +ATOM 1538 CG ARG B 215 11.730 17.539 61.944 1.00 48.76 C +ATOM 1539 CD ARG B 215 12.148 16.346 62.820 1.00 48.55 C +ATOM 1540 NE ARG B 215 11.141 15.283 62.892 1.00 48.13 N +ATOM 1541 CZ ARG B 215 11.255 14.075 62.337 1.00 48.18 C +ATOM 1542 NH1 ARG B 215 12.337 13.738 61.645 1.00 48.27 N +ATOM 1543 NH2 ARG B 215 10.277 13.190 62.478 1.00 48.23 N +ATOM 1544 N LYS B 216 11.421 19.198 57.233 1.00 48.52 N +ATOM 1545 CA LYS B 216 11.652 19.157 55.791 1.00 48.34 C +ATOM 1546 C LYS B 216 11.670 20.603 55.255 1.00 48.44 C +ATOM 1547 O LYS B 216 10.813 21.405 55.646 1.00 48.23 O +ATOM 1548 CB LYS B 216 10.563 18.319 55.108 1.00 48.08 C +ATOM 1549 CG LYS B 216 10.800 18.027 53.637 1.00 47.31 C +ATOM 1550 CD LYS B 216 9.950 16.864 53.153 1.00 46.31 C +ATOM 1551 CE LYS B 216 10.649 15.535 53.381 1.00 45.53 C +ATOM 1552 NZ LYS B 216 9.680 14.418 53.427 1.00 44.50 N +ATOM 1553 N PRO B 217 12.639 20.942 54.390 1.00 48.63 N +ATOM 1554 CA PRO B 217 12.712 22.293 53.797 1.00 48.85 C +ATOM 1555 C PRO B 217 11.390 22.708 53.152 1.00 49.01 C +ATOM 1556 O PRO B 217 10.747 21.897 52.473 1.00 49.12 O +ATOM 1557 CB PRO B 217 13.809 22.160 52.728 1.00 48.79 C +ATOM 1558 CG PRO B 217 14.663 21.043 53.203 1.00 48.83 C +ATOM 1559 CD PRO B 217 13.740 20.079 53.916 1.00 48.63 C +ATOM 1560 N LEU B 218 10.985 23.954 53.378 1.00 49.06 N +ATOM 1561 CA LEU B 218 9.668 24.413 52.948 1.00 49.07 C +ATOM 1562 C LEU B 218 9.623 24.780 51.474 1.00 48.94 C +ATOM 1563 O LEU B 218 8.740 24.309 50.750 1.00 49.33 O +ATOM 1564 CB LEU B 218 9.195 25.591 53.796 1.00 49.26 C +ATOM 1565 CG LEU B 218 7.904 26.276 53.337 1.00 49.49 C +ATOM 1566 CD1 LEU B 218 6.709 25.328 53.385 1.00 49.35 C +ATOM 1567 CD2 LEU B 218 7.660 27.502 54.196 1.00 50.34 C +ATOM 1568 N PHE B 219 10.560 25.626 51.045 1.00 48.53 N +ATOM 1569 CA PHE B 219 10.639 26.080 49.657 1.00 48.12 C +ATOM 1570 C PHE B 219 11.769 25.372 48.913 1.00 47.90 C +ATOM 1571 O PHE B 219 12.927 25.808 48.968 1.00 47.85 O +ATOM 1572 CB PHE B 219 10.830 27.597 49.591 1.00 48.02 C +ATOM 1573 CG PHE B 219 9.717 28.384 50.233 1.00 48.55 C +ATOM 1574 CD1 PHE B 219 8.379 28.143 49.891 1.00 47.82 C +ATOM 1575 CD2 PHE B 219 10.005 29.387 51.177 1.00 48.63 C +ATOM 1576 CE1 PHE B 219 7.337 28.876 50.485 1.00 47.73 C +ATOM 1577 CE2 PHE B 219 8.966 30.132 51.774 1.00 48.46 C +ATOM 1578 CZ PHE B 219 7.626 29.875 51.418 1.00 48.07 C +ATOM 1579 N ARG B 220 11.423 24.288 48.211 1.00 47.50 N +ATOM 1580 CA ARG B 220 12.411 23.464 47.516 1.00 47.00 C +ATOM 1581 C ARG B 220 12.302 23.666 46.025 1.00 46.91 C +ATOM 1582 O ARG B 220 11.571 22.961 45.359 1.00 46.97 O +ATOM 1583 CB ARG B 220 12.226 21.996 47.868 1.00 46.70 C +ATOM 1584 CG ARG B 220 11.693 21.761 49.266 1.00 46.46 C +ATOM 1585 CD ARG B 220 10.182 21.612 49.342 1.00 46.40 C +ATOM 1586 NE ARG B 220 9.754 20.353 48.737 1.00 47.45 N +ATOM 1587 CZ ARG B 220 9.780 19.167 49.343 1.00 47.01 C +ATOM 1588 NH1 ARG B 220 10.208 19.047 50.592 1.00 47.07 N +ATOM 1589 NH2 ARG B 220 9.372 18.093 48.693 1.00 46.87 N +ATOM 1590 N GLY B 221 13.018 24.653 45.507 1.00 47.11 N +ATOM 1591 CA GLY B 221 12.924 25.004 44.094 1.00 47.25 C +ATOM 1592 C GLY B 221 13.953 24.281 43.253 1.00 47.44 C +ATOM 1593 O GLY B 221 14.571 23.323 43.713 1.00 47.76 O +ATOM 1594 N SER B 222 14.134 24.739 42.017 1.00 47.46 N +ATOM 1595 CA SER B 222 15.078 24.121 41.077 1.00 47.50 C +ATOM 1596 C SER B 222 15.666 25.161 40.110 1.00 47.73 C +ATOM 1597 O SER B 222 16.836 25.077 39.726 1.00 47.68 O +ATOM 1598 CB SER B 222 14.404 22.980 40.313 1.00 47.30 C +ATOM 1599 OG SER B 222 13.145 23.390 39.809 1.00 46.83 O +ATOM 1600 N SER B 223 14.833 26.123 39.711 1.00 47.92 N +ATOM 1601 CA SER B 223 15.268 27.320 38.997 1.00 47.91 C +ATOM 1602 C SER B 223 14.993 28.463 39.946 1.00 47.68 C +ATOM 1603 O SER B 223 14.404 28.237 41.001 1.00 47.70 O +ATOM 1604 CB SER B 223 14.453 27.513 37.716 1.00 48.08 C +ATOM 1605 OG SER B 223 13.325 28.346 37.949 1.00 48.35 O +ATOM 1606 N ASP B 224 15.392 29.679 39.583 1.00 47.60 N +ATOM 1607 CA ASP B 224 15.076 30.849 40.412 1.00 47.55 C +ATOM 1608 C ASP B 224 13.600 31.164 40.254 1.00 47.16 C +ATOM 1609 O ASP B 224 12.926 31.489 41.236 1.00 46.91 O +ATOM 1610 CB ASP B 224 15.894 32.087 40.018 1.00 47.98 C +ATOM 1611 CG ASP B 224 17.396 31.832 39.986 1.00 48.98 C +ATOM 1612 OD1 ASP B 224 17.834 30.781 39.459 1.00 51.33 O +ATOM 1613 OD2 ASP B 224 18.222 32.650 40.433 1.00 49.45 O +ATOM 1614 N VAL B 225 13.111 31.049 39.014 1.00 46.72 N +ATOM 1615 CA VAL B 225 11.720 31.365 38.666 1.00 46.38 C +ATOM 1616 C VAL B 225 10.763 30.427 39.371 1.00 46.20 C +ATOM 1617 O VAL B 225 9.700 30.845 39.832 1.00 45.99 O +ATOM 1618 CB VAL B 225 11.450 31.284 37.143 1.00 46.40 C +ATOM 1619 CG1 VAL B 225 10.108 31.911 36.807 1.00 45.98 C +ATOM 1620 CG2 VAL B 225 12.553 31.970 36.355 1.00 46.66 C +ATOM 1621 N ASP B 226 11.146 29.154 39.434 1.00 46.31 N +ATOM 1622 CA ASP B 226 10.369 28.143 40.141 1.00 46.50 C +ATOM 1623 C ASP B 226 10.524 28.366 41.637 1.00 46.46 C +ATOM 1624 O ASP B 226 9.547 28.329 42.380 1.00 46.57 O +ATOM 1625 CB ASP B 226 10.785 26.720 39.720 1.00 46.55 C +ATOM 1626 CG ASP B 226 10.489 25.675 40.790 1.00 46.66 C +ATOM 1627 OD1 ASP B 226 9.468 24.970 40.685 1.00 45.87 O +ATOM 1628 OD2 ASP B 226 11.220 25.498 41.786 1.00 47.62 O +ATOM 1629 N GLN B 227 11.750 28.622 42.072 1.00 46.45 N +ATOM 1630 CA GLN B 227 11.985 28.932 43.468 1.00 46.59 C +ATOM 1631 C GLN B 227 11.074 30.065 43.920 1.00 46.77 C +ATOM 1632 O GLN B 227 10.604 30.070 45.054 1.00 47.05 O +ATOM 1633 CB GLN B 227 13.454 29.270 43.724 1.00 46.33 C +ATOM 1634 CG GLN B 227 13.795 29.476 45.197 1.00 46.36 C +ATOM 1635 CD GLN B 227 13.651 28.222 46.056 1.00 46.06 C +ATOM 1636 OE1 GLN B 227 13.911 27.107 45.599 1.00 45.22 O +ATOM 1637 NE2 GLN B 227 13.270 28.413 47.319 1.00 46.24 N +ATOM 1638 N LEU B 228 10.804 31.006 43.025 1.00 46.90 N +ATOM 1639 CA LEU B 228 9.952 32.142 43.353 1.00 47.18 C +ATOM 1640 C LEU B 228 8.474 31.739 43.426 1.00 47.35 C +ATOM 1641 O LEU B 228 7.779 32.080 44.389 1.00 47.35 O +ATOM 1642 CB LEU B 228 10.194 33.287 42.364 1.00 47.22 C +ATOM 1643 CG LEU B 228 9.278 34.509 42.328 1.00 47.36 C +ATOM 1644 CD1 LEU B 228 10.099 35.756 42.086 1.00 47.83 C +ATOM 1645 CD2 LEU B 228 8.226 34.332 41.232 1.00 48.56 C +ATOM 1646 N GLY B 229 8.004 31.019 42.408 1.00 47.55 N +ATOM 1647 CA GLY B 229 6.635 30.516 42.373 1.00 47.64 C +ATOM 1648 C GLY B 229 6.332 29.703 43.615 1.00 47.94 C +ATOM 1649 O GLY B 229 5.362 29.977 44.314 1.00 47.84 O +ATOM 1650 N LYS B 230 7.178 28.711 43.892 1.00 48.35 N +ATOM 1651 CA LYS B 230 7.103 27.915 45.121 1.00 48.82 C +ATOM 1652 C LYS B 230 6.747 28.795 46.320 1.00 49.07 C +ATOM 1653 O LYS B 230 5.756 28.531 47.009 1.00 49.30 O +ATOM 1654 CB LYS B 230 8.431 27.188 45.378 1.00 48.92 C +ATOM 1655 CG LYS B 230 8.624 25.899 44.583 1.00 49.02 C +ATOM 1656 CD LYS B 230 8.545 24.658 45.473 1.00 49.17 C +ATOM 1657 CE LYS B 230 8.295 23.383 44.657 1.00 49.04 C +ATOM 1658 NZ LYS B 230 9.191 23.236 43.467 1.00 48.90 N +ATOM 1659 N ILE B 231 7.547 29.839 46.550 1.00 49.01 N +ATOM 1660 CA ILE B 231 7.276 30.813 47.600 1.00 49.02 C +ATOM 1661 C ILE B 231 5.896 31.436 47.416 1.00 49.21 C +ATOM 1662 O ILE B 231 5.056 31.343 48.304 1.00 49.18 O +ATOM 1663 CB ILE B 231 8.372 31.918 47.650 1.00 49.23 C +ATOM 1664 CG1 ILE B 231 9.735 31.328 48.047 1.00 49.13 C +ATOM 1665 CG2 ILE B 231 7.955 33.054 48.601 1.00 49.06 C +ATOM 1666 CD1 ILE B 231 10.926 32.253 47.830 1.00 48.56 C +ATOM 1667 N LEU B 232 5.667 32.056 46.263 1.00 49.52 N +ATOM 1668 CA LEU B 232 4.401 32.734 45.995 1.00 50.06 C +ATOM 1669 C LEU B 232 3.184 31.809 46.047 1.00 50.58 C +ATOM 1670 O LEU B 232 2.072 32.273 46.312 1.00 50.55 O +ATOM 1671 CB LEU B 232 4.447 33.476 44.656 1.00 50.04 C +ATOM 1672 CG LEU B 232 5.037 34.886 44.658 1.00 49.79 C +ATOM 1673 CD1 LEU B 232 4.619 35.630 43.402 1.00 49.26 C +ATOM 1674 CD2 LEU B 232 4.588 35.657 45.889 1.00 49.93 C +ATOM 1675 N ASP B 233 3.397 30.513 45.796 1.00 51.25 N +ATOM 1676 CA ASP B 233 2.349 29.494 45.956 1.00 52.01 C +ATOM 1677 C ASP B 233 1.831 29.499 47.389 1.00 52.67 C +ATOM 1678 O ASP B 233 0.637 29.323 47.622 1.00 52.93 O +ATOM 1679 CB ASP B 233 2.856 28.084 45.599 1.00 51.82 C +ATOM 1680 CG ASP B 233 2.608 27.703 44.138 1.00 51.33 C +ATOM 1681 OD1 ASP B 233 2.070 28.523 43.360 1.00 50.49 O +ATOM 1682 OD2 ASP B 233 2.927 26.585 43.678 1.00 50.42 O +ATOM 1683 N VAL B 234 2.740 29.706 48.337 1.00 53.45 N +ATOM 1684 CA VAL B 234 2.397 29.749 49.749 1.00 54.28 C +ATOM 1685 C VAL B 234 1.975 31.168 50.156 1.00 55.11 C +ATOM 1686 O VAL B 234 0.781 31.430 50.353 1.00 55.13 O +ATOM 1687 CB VAL B 234 3.568 29.217 50.622 1.00 54.14 C +ATOM 1688 CG1 VAL B 234 3.221 29.265 52.103 1.00 54.19 C +ATOM 1689 CG2 VAL B 234 3.939 27.796 50.213 1.00 53.99 C +ATOM 1690 N ILE B 235 2.953 32.074 50.228 1.00 56.21 N +ATOM 1691 CA ILE B 235 2.787 33.433 50.782 1.00 57.35 C +ATOM 1692 C ILE B 235 1.765 34.340 50.062 1.00 58.11 C +ATOM 1693 O ILE B 235 1.260 35.298 50.660 1.00 58.11 O +ATOM 1694 CB ILE B 235 4.204 34.133 50.985 1.00 57.50 C +ATOM 1695 CG1 ILE B 235 4.336 34.690 52.404 1.00 58.29 C +ATOM 1696 CG2 ILE B 235 4.523 35.210 49.919 1.00 56.89 C +ATOM 1697 CD1 ILE B 235 3.872 33.721 53.509 1.00 59.66 C +ATOM 1698 N GLY B 236 1.460 34.026 48.798 1.00 58.95 N +ATOM 1699 CA GLY B 236 0.443 34.745 48.021 1.00 59.83 C +ATOM 1700 C GLY B 236 0.963 35.976 47.306 1.00 60.64 C +ATOM 1701 O GLY B 236 1.968 36.568 47.725 1.00 60.63 O +ATOM 1702 N LEU B 237 0.279 36.360 46.225 1.00 61.48 N +ATOM 1703 CA LEU B 237 0.647 37.550 45.445 1.00 62.21 C +ATOM 1704 C LEU B 237 0.259 38.829 46.188 1.00 63.06 C +ATOM 1705 O LEU B 237 -0.914 39.015 46.519 1.00 63.32 O +ATOM 1706 CB LEU B 237 -0.002 37.532 44.046 1.00 62.16 C +ATOM 1707 CG LEU B 237 0.294 38.729 43.120 1.00 61.81 C +ATOM 1708 CD1 LEU B 237 1.757 38.746 42.675 1.00 61.74 C +ATOM 1709 CD2 LEU B 237 -0.626 38.782 41.909 1.00 61.58 C +ATOM 1710 N PRO B 238 1.235 39.700 46.453 1.00 63.78 N +ATOM 1711 CA PRO B 238 0.973 40.985 47.107 1.00 64.54 C +ATOM 1712 C PRO B 238 0.602 42.085 46.095 1.00 65.28 C +ATOM 1713 O PRO B 238 0.582 41.825 44.885 1.00 65.31 O +ATOM 1714 CB PRO B 238 2.309 41.298 47.794 1.00 64.57 C +ATOM 1715 CG PRO B 238 3.357 40.654 46.900 1.00 64.30 C +ATOM 1716 CD PRO B 238 2.669 39.518 46.157 1.00 63.96 C +ATOM 1717 N GLY B 239 0.322 43.296 46.586 1.00 66.06 N +ATOM 1718 CA GLY B 239 -0.118 44.411 45.733 1.00 67.07 C +ATOM 1719 C GLY B 239 0.960 45.083 44.894 1.00 67.80 C +ATOM 1720 O GLY B 239 2.134 44.702 44.949 1.00 67.86 O +ATOM 1721 N GLU B 240 0.549 46.083 44.112 1.00 68.55 N +ATOM 1722 CA GLU B 240 1.461 46.922 43.321 1.00 69.43 C +ATOM 1723 C GLU B 240 2.432 47.672 44.244 1.00 70.26 C +ATOM 1724 O GLU B 240 3.604 47.904 43.905 1.00 70.39 O +ATOM 1725 CB GLU B 240 0.652 47.911 42.475 1.00 69.27 C +ATOM 1726 CG GLU B 240 -0.145 47.253 41.347 1.00 69.47 C +ATOM 1727 CD GLU B 240 -1.642 47.553 41.387 1.00 68.87 C +ATOM 1728 OE1 GLU B 240 -2.101 48.261 42.310 1.00 68.76 O +ATOM 1729 OE2 GLU B 240 -2.371 47.064 40.496 1.00 68.14 O +ATOM 1730 N GLU B 241 1.919 48.023 45.421 1.00 71.18 N +ATOM 1731 CA GLU B 241 2.671 48.671 46.494 1.00 71.87 C +ATOM 1732 C GLU B 241 3.916 47.896 46.926 1.00 72.51 C +ATOM 1733 O GLU B 241 4.984 48.494 47.084 1.00 72.87 O +ATOM 1734 CB GLU B 241 1.744 48.892 47.696 1.00 71.87 C +ATOM 1735 CG GLU B 241 1.017 47.632 48.160 1.00 71.67 C +ATOM 1736 CD GLU B 241 -0.483 47.813 48.269 1.00 71.22 C +ATOM 1737 OE1 GLU B 241 -1.122 48.187 47.258 1.00 70.67 O +ATOM 1738 OE2 GLU B 241 -1.022 47.563 49.365 1.00 71.39 O +ATOM 1739 N ASP B 242 3.775 46.577 47.107 1.00 73.24 N +ATOM 1740 CA ASP B 242 4.855 45.706 47.626 1.00 73.92 C +ATOM 1741 C ASP B 242 5.869 45.199 46.582 1.00 74.44 C +ATOM 1742 O ASP B 242 6.930 44.673 46.941 1.00 74.37 O +ATOM 1743 CB ASP B 242 4.271 44.519 48.406 1.00 73.83 C +ATOM 1744 CG ASP B 242 3.765 44.916 49.784 1.00 73.85 C +ATOM 1745 OD1 ASP B 242 4.288 44.381 50.792 1.00 73.68 O +ATOM 1746 OD2 ASP B 242 2.857 45.760 49.956 1.00 73.34 O +ATOM 1747 N TRP B 243 5.534 45.366 45.302 1.00 75.15 N +ATOM 1748 CA TRP B 243 6.387 44.945 44.195 1.00 75.72 C +ATOM 1749 C TRP B 243 7.248 46.120 43.708 1.00 76.15 C +ATOM 1750 O TRP B 243 6.698 47.114 43.209 1.00 76.29 O +ATOM 1751 CB TRP B 243 5.507 44.449 43.056 1.00 75.75 C +ATOM 1752 CG TRP B 243 6.114 43.370 42.215 1.00 76.09 C +ATOM 1753 CD1 TRP B 243 6.959 43.529 41.147 1.00 75.99 C +ATOM 1754 CD2 TRP B 243 5.895 41.958 42.345 1.00 76.37 C +ATOM 1755 NE1 TRP B 243 7.288 42.303 40.616 1.00 75.84 N +ATOM 1756 CE2 TRP B 243 6.648 41.320 41.327 1.00 76.10 C +ATOM 1757 CE3 TRP B 243 5.141 41.159 43.226 1.00 76.39 C +ATOM 1758 CZ2 TRP B 243 6.668 39.926 41.165 1.00 76.09 C +ATOM 1759 CZ3 TRP B 243 5.161 39.770 43.063 1.00 76.15 C +ATOM 1760 CH2 TRP B 243 5.920 39.172 42.038 1.00 76.11 C +ATOM 1761 N PRO B 244 8.580 46.014 43.846 1.00 76.42 N +ATOM 1762 CA PRO B 244 9.495 47.086 43.419 1.00 76.44 C +ATOM 1763 C PRO B 244 9.629 47.158 41.901 1.00 76.29 C +ATOM 1764 O PRO B 244 8.790 47.772 41.242 1.00 76.19 O +ATOM 1765 CB PRO B 244 10.839 46.689 44.058 1.00 76.55 C +ATOM 1766 CG PRO B 244 10.782 45.192 44.188 1.00 76.64 C +ATOM 1767 CD PRO B 244 9.314 44.864 44.420 1.00 76.58 C +ATOM 1768 N ALA B 259 -3.381 33.177 47.820 1.00 50.48 N +ATOM 1769 CA ALA B 259 -2.478 32.538 48.776 1.00 50.84 C +ATOM 1770 C ALA B 259 -2.989 31.169 49.234 1.00 51.00 C +ATOM 1771 O ALA B 259 -3.737 30.501 48.509 1.00 50.83 O +ATOM 1772 CB ALA B 259 -2.214 33.460 49.984 1.00 50.59 C +ATOM 1773 N GLN B 260 -2.547 30.761 50.427 1.00 51.36 N +ATOM 1774 CA GLN B 260 -2.958 29.515 51.090 1.00 51.61 C +ATOM 1775 C GLN B 260 -2.562 29.601 52.570 1.00 51.70 C +ATOM 1776 O GLN B 260 -1.450 30.049 52.875 1.00 51.85 O +ATOM 1777 CB GLN B 260 -2.302 28.295 50.421 1.00 51.57 C +ATOM 1778 N PRO B 261 -3.445 29.173 53.483 1.00 51.77 N +ATOM 1779 CA PRO B 261 -3.177 29.287 54.927 1.00 51.81 C +ATOM 1780 C PRO B 261 -1.959 28.463 55.358 1.00 51.94 C +ATOM 1781 O PRO B 261 -1.937 27.246 55.166 1.00 51.90 O +ATOM 1782 CB PRO B 261 -4.455 28.747 55.575 1.00 51.68 C +ATOM 1783 CG PRO B 261 -5.483 28.740 54.486 1.00 51.88 C +ATOM 1784 CD PRO B 261 -4.746 28.530 53.210 1.00 51.84 C +ATOM 1785 N ILE B 262 -0.960 29.135 55.932 1.00 52.09 N +ATOM 1786 CA ILE B 262 0.325 28.513 56.286 1.00 52.32 C +ATOM 1787 C ILE B 262 0.240 27.165 57.028 1.00 52.56 C +ATOM 1788 O ILE B 262 1.008 26.251 56.720 1.00 52.80 O +ATOM 1789 CB ILE B 262 1.227 29.512 57.076 1.00 52.29 C +ATOM 1790 CG1 ILE B 262 2.689 29.066 57.051 1.00 52.26 C +ATOM 1791 CG2 ILE B 262 0.759 29.692 58.513 1.00 52.08 C +ATOM 1792 CD1 ILE B 262 3.554 29.853 56.084 1.00 52.48 C +ATOM 1793 N GLU B 263 -0.693 27.050 57.980 1.00 52.60 N +ATOM 1794 CA GLU B 263 -0.783 25.898 58.899 1.00 52.56 C +ATOM 1795 C GLU B 263 -0.810 24.561 58.168 1.00 52.69 C +ATOM 1796 O GLU B 263 -0.474 23.519 58.738 1.00 52.66 O +ATOM 1797 CB GLU B 263 -2.012 25.998 59.811 1.00 52.47 C +ATOM 1798 CG GLU B 263 -2.306 27.379 60.376 1.00 52.13 C +ATOM 1799 CD GLU B 263 -3.154 28.224 59.442 1.00 52.02 C +ATOM 1800 OE1 GLU B 263 -4.219 27.751 58.985 1.00 51.23 O +ATOM 1801 OE2 GLU B 263 -2.751 29.372 59.167 1.00 52.24 O +ATOM 1802 N LYS B 264 -1.233 24.613 56.908 1.00 52.88 N +ATOM 1803 CA LYS B 264 -1.210 23.477 55.994 1.00 53.05 C +ATOM 1804 C LYS B 264 0.229 23.002 55.804 1.00 52.97 C +ATOM 1805 O LYS B 264 0.546 21.823 55.987 1.00 53.07 O +ATOM 1806 CB LYS B 264 -1.841 23.895 54.657 1.00 52.98 C +ATOM 1807 CG LYS B 264 -1.463 23.042 53.459 1.00 53.19 C +ATOM 1808 CD LYS B 264 -2.025 23.620 52.171 1.00 53.23 C +ATOM 1809 CE LYS B 264 -3.443 23.141 51.905 1.00 53.23 C +ATOM 1810 NZ LYS B 264 -4.018 23.844 50.732 1.00 53.33 N +ATOM 1811 N PHE B 265 1.098 23.939 55.458 1.00 52.82 N +ATOM 1812 CA PHE B 265 2.497 23.644 55.244 1.00 52.92 C +ATOM 1813 C PHE B 265 3.278 23.534 56.547 1.00 52.78 C +ATOM 1814 O PHE B 265 4.382 22.985 56.578 1.00 52.69 O +ATOM 1815 CB PHE B 265 3.106 24.727 54.370 1.00 53.14 C +ATOM 1816 CG PHE B 265 2.603 24.709 52.973 1.00 53.47 C +ATOM 1817 CD1 PHE B 265 3.295 24.012 51.988 1.00 53.85 C +ATOM 1818 CD2 PHE B 265 1.432 25.379 52.637 1.00 53.85 C +ATOM 1819 CE1 PHE B 265 2.834 23.990 50.683 1.00 54.11 C +ATOM 1820 CE2 PHE B 265 0.956 25.363 51.334 1.00 54.06 C +ATOM 1821 CZ PHE B 265 1.658 24.667 50.353 1.00 53.98 C +ATOM 1822 N VAL B 266 2.713 24.069 57.623 1.00 52.63 N +ATOM 1823 CA VAL B 266 3.387 24.034 58.916 1.00 52.40 C +ATOM 1824 C VAL B 266 2.430 23.640 60.046 1.00 52.18 C +ATOM 1825 O VAL B 266 2.031 24.465 60.867 1.00 52.18 O +ATOM 1826 CB VAL B 266 4.103 25.370 59.241 1.00 52.34 C +ATOM 1827 CG1 VAL B 266 5.236 25.125 60.225 1.00 52.35 C +ATOM 1828 CG2 VAL B 266 4.632 26.029 57.976 1.00 51.97 C +ATOM 1829 N THR B 267 2.064 22.366 60.074 1.00 51.83 N +ATOM 1830 CA THR B 267 1.235 21.852 61.148 1.00 51.61 C +ATOM 1831 C THR B 267 2.110 21.687 62.388 1.00 51.52 C +ATOM 1832 O THR B 267 3.340 21.657 62.291 1.00 51.61 O +ATOM 1833 CB THR B 267 0.575 20.516 60.746 1.00 51.62 C +ATOM 1834 OG1 THR B 267 1.356 19.416 61.228 1.00 51.63 O +ATOM 1835 CG2 THR B 267 0.580 20.338 59.221 1.00 51.34 C +ATOM 1836 N ASP B 268 1.464 21.581 63.545 1.00 51.33 N +ATOM 1837 CA ASP B 268 2.142 21.508 64.845 1.00 51.13 C +ATOM 1838 C ASP B 268 2.721 22.845 65.272 1.00 50.89 C +ATOM 1839 O ASP B 268 3.592 22.890 66.134 1.00 51.22 O +ATOM 1840 CB ASP B 268 3.210 20.389 64.896 1.00 51.08 C +ATOM 1841 CG ASP B 268 2.617 19.013 65.259 1.00 51.47 C +ATOM 1842 OD1 ASP B 268 1.457 18.729 64.886 1.00 51.38 O +ATOM 1843 OD2 ASP B 268 3.240 18.142 65.909 1.00 51.28 O +ATOM 1844 N ILE B 269 2.227 23.935 64.687 1.00 50.68 N +ATOM 1845 CA ILE B 269 2.673 25.280 65.077 1.00 50.49 C +ATOM 1846 C ILE B 269 1.614 26.035 65.889 1.00 50.42 C +ATOM 1847 O ILE B 269 0.416 25.964 65.604 1.00 50.31 O +ATOM 1848 CB ILE B 269 3.196 26.115 63.845 1.00 50.54 C +ATOM 1849 CG1 ILE B 269 3.941 27.375 64.313 1.00 50.39 C +ATOM 1850 CG2 ILE B 269 2.063 26.483 62.887 1.00 50.45 C +ATOM 1851 CD1 ILE B 269 4.872 28.011 63.280 1.00 50.20 C +ATOM 1852 N ASP B 270 2.088 26.746 66.907 1.00 50.43 N +ATOM 1853 CA ASP B 270 1.262 27.568 67.791 1.00 50.60 C +ATOM 1854 C ASP B 270 0.851 28.857 67.079 1.00 50.36 C +ATOM 1855 O ASP B 270 1.524 29.290 66.139 1.00 50.28 O +ATOM 1856 CB ASP B 270 2.071 27.925 69.044 1.00 50.89 C +ATOM 1857 CG ASP B 270 3.445 27.256 69.060 1.00 51.73 C +ATOM 1858 OD1 ASP B 270 3.511 26.030 69.324 1.00 52.74 O +ATOM 1859 OD2 ASP B 270 4.506 27.874 68.795 1.00 51.42 O +ATOM 1860 N GLU B 271 -0.231 29.481 67.544 1.00 50.13 N +ATOM 1861 CA GLU B 271 -0.743 30.712 66.928 1.00 49.99 C +ATOM 1862 C GLU B 271 0.266 31.854 66.920 1.00 49.72 C +ATOM 1863 O GLU B 271 0.345 32.602 65.946 1.00 49.79 O +ATOM 1864 CB GLU B 271 -2.047 31.176 67.585 1.00 50.10 C +ATOM 1865 CG GLU B 271 -3.240 30.244 67.382 1.00 50.98 C +ATOM 1866 CD GLU B 271 -3.693 30.096 65.927 1.00 52.01 C +ATOM 1867 OE1 GLU B 271 -3.188 30.814 65.031 1.00 51.57 O +ATOM 1868 OE2 GLU B 271 -4.580 29.243 65.678 1.00 52.97 O +ATOM 1869 N LEU B 272 1.035 31.989 67.997 1.00 49.28 N +ATOM 1870 CA LEU B 272 2.049 33.042 68.071 1.00 48.79 C +ATOM 1871 C LEU B 272 3.313 32.690 67.285 1.00 48.48 C +ATOM 1872 O LEU B 272 4.035 33.583 66.822 1.00 48.56 O +ATOM 1873 CB LEU B 272 2.376 33.404 69.529 1.00 48.77 C +ATOM 1874 CG LEU B 272 1.289 34.137 70.336 1.00 48.55 C +ATOM 1875 CD1 LEU B 272 1.653 34.197 71.819 1.00 48.28 C +ATOM 1876 CD2 LEU B 272 0.983 35.542 69.793 1.00 47.84 C +ATOM 1877 N GLY B 273 3.580 31.393 67.139 1.00 48.03 N +ATOM 1878 CA GLY B 273 4.675 30.924 66.289 1.00 47.55 C +ATOM 1879 C GLY B 273 4.387 31.285 64.841 1.00 47.23 C +ATOM 1880 O GLY B 273 5.289 31.687 64.085 1.00 47.16 O +ATOM 1881 N LYS B 274 3.109 31.149 64.474 1.00 46.69 N +ATOM 1882 CA LYS B 274 2.610 31.497 63.142 1.00 45.92 C +ATOM 1883 C LYS B 274 2.832 32.983 62.837 1.00 45.35 C +ATOM 1884 O LYS B 274 3.412 33.315 61.809 1.00 45.32 O +ATOM 1885 CB LYS B 274 1.123 31.092 62.978 1.00 45.96 C +ATOM 1886 CG LYS B 274 0.530 31.353 61.583 1.00 45.28 C +ATOM 1887 CD LYS B 274 -1.004 31.287 61.554 1.00 45.72 C +ATOM 1888 CE LYS B 274 -1.574 32.026 60.323 1.00 45.27 C +ATOM 1889 NZ LYS B 274 -3.055 31.952 60.143 1.00 43.58 N +ATOM 1890 N ASP B 275 2.400 33.864 63.739 1.00 44.78 N +ATOM 1891 CA ASP B 275 2.477 35.299 63.484 1.00 44.31 C +ATOM 1892 C ASP B 275 3.916 35.751 63.294 1.00 44.34 C +ATOM 1893 O ASP B 275 4.223 36.558 62.406 1.00 44.08 O +ATOM 1894 CB ASP B 275 1.814 36.112 64.587 1.00 43.96 C +ATOM 1895 CG ASP B 275 1.713 37.569 64.222 1.00 43.38 C +ATOM 1896 OD1 ASP B 275 2.514 38.362 64.747 1.00 43.71 O +ATOM 1897 OD2 ASP B 275 0.906 38.009 63.379 1.00 42.10 O +ATOM 1898 N LEU B 276 4.795 35.216 64.132 1.00 44.41 N +ATOM 1899 CA LEU B 276 6.210 35.441 63.961 1.00 44.48 C +ATOM 1900 C LEU B 276 6.668 34.887 62.610 1.00 44.69 C +ATOM 1901 O LEU B 276 7.311 35.603 61.850 1.00 44.84 O +ATOM 1902 CB LEU B 276 7.006 34.846 65.126 1.00 44.27 C +ATOM 1903 CG LEU B 276 8.541 34.916 65.088 1.00 43.91 C +ATOM 1904 CD1 LEU B 276 9.109 36.275 64.643 1.00 43.05 C +ATOM 1905 CD2 LEU B 276 9.062 34.554 66.445 1.00 43.55 C +ATOM 1906 N LEU B 277 6.323 33.636 62.306 1.00 44.91 N +ATOM 1907 CA LEU B 277 6.719 33.017 61.032 1.00 45.22 C +ATOM 1908 C LEU B 277 6.303 33.805 59.769 1.00 45.40 C +ATOM 1909 O LEU B 277 7.091 33.913 58.818 1.00 45.42 O +ATOM 1910 CB LEU B 277 6.209 31.580 60.938 1.00 45.31 C +ATOM 1911 CG LEU B 277 6.608 30.829 59.664 1.00 45.29 C +ATOM 1912 CD1 LEU B 277 8.117 30.589 59.622 1.00 44.76 C +ATOM 1913 CD2 LEU B 277 5.849 29.527 59.576 1.00 45.23 C +ATOM 1914 N LEU B 278 5.078 34.335 59.756 1.00 45.34 N +ATOM 1915 CA LEU B 278 4.626 35.202 58.663 1.00 45.54 C +ATOM 1916 C LEU B 278 5.437 36.501 58.622 1.00 45.71 C +ATOM 1917 O LEU B 278 5.869 36.950 57.562 1.00 45.41 O +ATOM 1918 CB LEU B 278 3.135 35.514 58.800 1.00 45.46 C +ATOM 1919 CG LEU B 278 2.152 34.331 58.768 1.00 46.43 C +ATOM 1920 CD1 LEU B 278 0.798 34.690 59.414 1.00 46.54 C +ATOM 1921 CD2 LEU B 278 1.958 33.747 57.352 1.00 46.41 C +ATOM 1922 N LYS B 279 5.654 37.078 59.801 1.00 46.12 N +ATOM 1923 CA LYS B 279 6.402 38.316 59.967 1.00 46.27 C +ATOM 1924 C LYS B 279 7.812 38.254 59.360 1.00 46.47 C +ATOM 1925 O LYS B 279 8.305 39.265 58.855 1.00 46.94 O +ATOM 1926 CB LYS B 279 6.490 38.652 61.450 1.00 46.37 C +ATOM 1927 CG LYS B 279 5.907 39.997 61.841 1.00 46.63 C +ATOM 1928 CD LYS B 279 4.525 39.846 62.477 1.00 46.05 C +ATOM 1929 CE LYS B 279 4.151 41.079 63.301 1.00 45.23 C +ATOM 1930 NZ LYS B 279 2.726 41.066 63.716 1.00 44.65 N +ATOM 1931 N CYS B 280 8.465 37.090 59.417 1.00 46.43 N +ATOM 1932 CA CYS B 280 9.731 36.890 58.702 1.00 46.51 C +ATOM 1933 C CYS B 280 9.519 36.580 57.249 1.00 46.98 C +ATOM 1934 O CYS B 280 10.433 36.784 56.452 1.00 47.69 O +ATOM 1935 CB CYS B 280 10.515 35.712 59.226 1.00 46.11 C +ATOM 1936 SG CYS B 280 10.751 35.723 60.966 1.00 46.60 S +ATOM 1937 N LEU B 281 8.359 36.017 56.906 1.00 46.99 N +ATOM 1938 CA LEU B 281 8.108 35.612 55.525 1.00 46.81 C +ATOM 1939 C LEU B 281 7.191 36.627 54.844 1.00 46.89 C +ATOM 1940 O LEU B 281 6.204 36.281 54.172 1.00 46.87 O +ATOM 1941 CB LEU B 281 7.613 34.154 55.448 1.00 46.84 C +ATOM 1942 CG LEU B 281 8.700 33.114 55.790 1.00 46.24 C +ATOM 1943 CD1 LEU B 281 8.150 31.727 55.975 1.00 45.39 C +ATOM 1944 CD2 LEU B 281 9.778 33.081 54.736 1.00 46.35 C +ATOM 1945 N THR B 282 7.537 37.896 55.052 1.00 46.74 N +ATOM 1946 CA THR B 282 6.855 39.011 54.421 1.00 46.96 C +ATOM 1947 C THR B 282 7.550 39.282 53.104 1.00 46.95 C +ATOM 1948 O THR B 282 8.780 39.401 53.074 1.00 47.01 O +ATOM 1949 CB THR B 282 6.929 40.258 55.309 1.00 46.80 C +ATOM 1950 OG1 THR B 282 6.830 39.865 56.680 1.00 47.30 O +ATOM 1951 CG2 THR B 282 5.706 41.144 55.101 1.00 46.71 C +ATOM 1952 N PHE B 283 6.768 39.375 52.027 1.00 46.89 N +ATOM 1953 CA PHE B 283 7.320 39.621 50.694 1.00 47.05 C +ATOM 1954 C PHE B 283 8.170 40.897 50.658 1.00 47.17 C +ATOM 1955 O PHE B 283 9.386 40.860 50.390 1.00 46.77 O +ATOM 1956 CB PHE B 283 6.216 39.701 49.630 1.00 47.14 C +ATOM 1957 CG PHE B 283 6.743 39.924 48.239 1.00 47.31 C +ATOM 1958 CD1 PHE B 283 7.127 38.838 47.444 1.00 47.66 C +ATOM 1959 CD2 PHE B 283 6.894 41.218 47.735 1.00 47.29 C +ATOM 1960 CE1 PHE B 283 7.642 39.036 46.164 1.00 47.45 C +ATOM 1961 CE2 PHE B 283 7.409 41.430 46.458 1.00 47.81 C +ATOM 1962 CZ PHE B 283 7.782 40.334 45.668 1.00 47.61 C +ATOM 1963 N ASN B 284 7.513 42.025 50.917 1.00 47.27 N +ATOM 1964 CA ASN B 284 8.212 43.281 50.967 1.00 47.21 C +ATOM 1965 C ASN B 284 9.242 43.150 52.051 1.00 47.25 C +ATOM 1966 O ASN B 284 8.953 42.623 53.132 1.00 47.69 O +ATOM 1967 CB ASN B 284 7.276 44.437 51.271 1.00 47.10 C +ATOM 1968 CG ASN B 284 7.851 45.759 50.835 1.00 47.87 C +ATOM 1969 OD1 ASN B 284 8.998 46.108 51.165 1.00 47.99 O +ATOM 1970 ND2 ASN B 284 7.067 46.507 50.074 1.00 49.01 N +ATOM 1971 N PRO B 285 10.459 43.578 51.764 1.00 47.14 N +ATOM 1972 CA PRO B 285 11.506 43.481 52.748 1.00 47.02 C +ATOM 1973 C PRO B 285 11.333 44.569 53.796 1.00 46.86 C +ATOM 1974 O PRO B 285 11.403 44.285 54.987 1.00 46.62 O +ATOM 1975 CB PRO B 285 12.786 43.647 51.924 1.00 47.19 C +ATOM 1976 CG PRO B 285 12.347 43.720 50.481 1.00 46.69 C +ATOM 1977 CD PRO B 285 10.936 44.164 50.498 1.00 47.17 C +ATOM 1978 N ALA B 286 11.047 45.789 53.354 1.00 47.11 N +ATOM 1979 CA ALA B 286 10.888 46.921 54.274 1.00 47.66 C +ATOM 1980 C ALA B 286 9.705 46.753 55.260 1.00 47.84 C +ATOM 1981 O ALA B 286 9.497 47.588 56.143 1.00 48.07 O +ATOM 1982 CB ALA B 286 10.780 48.238 53.490 1.00 47.49 C +ATOM 1983 N LYS B 287 8.949 45.667 55.092 1.00 47.68 N +ATOM 1984 CA LYS B 287 7.835 45.318 55.955 1.00 47.35 C +ATOM 1985 C LYS B 287 8.240 44.155 56.831 1.00 47.16 C +ATOM 1986 O LYS B 287 7.737 44.007 57.939 1.00 47.16 O +ATOM 1987 CB LYS B 287 6.613 44.904 55.124 1.00 47.59 C +ATOM 1988 CG LYS B 287 5.554 45.982 54.897 1.00 48.16 C +ATOM 1989 CD LYS B 287 6.052 47.093 53.966 1.00 49.83 C +ATOM 1990 CE LYS B 287 4.896 47.768 53.235 1.00 50.33 C +ATOM 1991 NZ LYS B 287 4.300 46.874 52.198 1.00 50.27 N +ATOM 1992 N ARG B 288 9.133 43.313 56.320 1.00 47.11 N +ATOM 1993 CA ARG B 288 9.578 42.127 57.052 1.00 47.21 C +ATOM 1994 C ARG B 288 10.151 42.515 58.422 1.00 47.51 C +ATOM 1995 O ARG B 288 10.912 43.485 58.529 1.00 47.69 O +ATOM 1996 CB ARG B 288 10.610 41.365 56.225 1.00 46.90 C +ATOM 1997 CG ARG B 288 11.120 40.066 56.844 1.00 46.64 C +ATOM 1998 CD ARG B 288 12.005 39.267 55.893 1.00 46.88 C +ATOM 1999 NE ARG B 288 11.391 39.288 54.569 1.00 47.02 N +ATOM 2000 CZ ARG B 288 11.999 39.615 53.447 1.00 46.29 C +ATOM 2001 NH1 ARG B 288 13.295 39.908 53.439 1.00 45.35 N +ATOM 2002 NH2 ARG B 288 11.300 39.623 52.319 1.00 46.16 N +ATOM 2003 N ILE B 289 9.779 41.770 59.464 1.00 47.58 N +ATOM 2004 CA ILE B 289 10.243 42.080 60.820 1.00 47.78 C +ATOM 2005 C ILE B 289 11.780 42.011 60.954 1.00 47.93 C +ATOM 2006 O ILE B 289 12.445 41.278 60.207 1.00 47.86 O +ATOM 2007 CB ILE B 289 9.538 41.180 61.865 1.00 47.70 C +ATOM 2008 CG1 ILE B 289 9.749 41.748 63.281 1.00 47.60 C +ATOM 2009 CG2 ILE B 289 10.022 39.735 61.730 1.00 47.61 C +ATOM 2010 CD1 ILE B 289 8.780 41.249 64.322 1.00 47.30 C +ATOM 2011 N SER B 290 12.326 42.797 61.884 1.00 47.87 N +ATOM 2012 CA SER B 290 13.752 42.757 62.211 1.00 48.13 C +ATOM 2013 C SER B 290 14.021 41.793 63.375 1.00 48.55 C +ATOM 2014 O SER B 290 13.102 41.473 64.138 1.00 48.58 O +ATOM 2015 CB SER B 290 14.240 44.158 62.571 1.00 48.07 C +ATOM 2016 OG SER B 290 13.669 44.598 63.794 1.00 47.85 O +ATOM 2017 N ALA B 291 15.270 41.336 63.515 1.00 48.93 N +ATOM 2018 CA ALA B 291 15.672 40.493 64.665 1.00 49.38 C +ATOM 2019 C ALA B 291 15.271 41.096 66.033 1.00 49.76 C +ATOM 2020 O ALA B 291 14.606 40.439 66.833 1.00 49.55 O +ATOM 2021 CB ALA B 291 17.184 40.194 64.627 1.00 49.16 C +ATOM 2022 N TYR B 292 15.681 42.342 66.278 1.00 50.24 N +ATOM 2023 CA TYR B 292 15.352 43.061 67.504 1.00 50.65 C +ATOM 2024 C TYR B 292 13.865 43.044 67.841 1.00 50.98 C +ATOM 2025 O TYR B 292 13.489 42.722 68.980 1.00 51.23 O +ATOM 2026 CB TYR B 292 15.812 44.510 67.410 1.00 51.02 C +ATOM 2027 CG TYR B 292 15.809 45.244 68.734 1.00 51.33 C +ATOM 2028 CD1 TYR B 292 16.692 44.879 69.754 1.00 52.03 C +ATOM 2029 CD2 TYR B 292 14.945 46.307 68.963 1.00 51.77 C +ATOM 2030 CE1 TYR B 292 16.714 45.547 70.980 1.00 52.81 C +ATOM 2031 CE2 TYR B 292 14.955 46.989 70.197 1.00 53.55 C +ATOM 2032 CZ TYR B 292 15.849 46.605 71.206 1.00 52.96 C +ATOM 2033 OH TYR B 292 15.883 47.263 72.436 1.00 52.16 O +ATOM 2034 N SER B 293 13.016 43.409 66.880 1.00 50.90 N +ATOM 2035 CA SER B 293 11.583 43.381 67.146 1.00 50.95 C +ATOM 2036 C SER B 293 11.099 41.943 67.185 1.00 51.16 C +ATOM 2037 O SER B 293 10.212 41.611 67.970 1.00 51.36 O +ATOM 2038 CB SER B 293 10.782 44.239 66.168 1.00 50.76 C +ATOM 2039 OG SER B 293 11.397 44.296 64.905 1.00 51.20 O +ATOM 2040 N ALA B 294 11.711 41.084 66.370 1.00 51.39 N +ATOM 2041 CA ALA B 294 11.412 39.652 66.408 1.00 51.54 C +ATOM 2042 C ALA B 294 11.793 39.049 67.752 1.00 51.58 C +ATOM 2043 O ALA B 294 11.016 38.306 68.333 1.00 51.52 O +ATOM 2044 CB ALA B 294 12.101 38.913 65.274 1.00 51.58 C +ATOM 2045 N LEU B 295 12.975 39.386 68.259 1.00 51.92 N +ATOM 2046 CA LEU B 295 13.380 38.924 69.588 1.00 52.38 C +ATOM 2047 C LEU B 295 12.348 39.265 70.663 1.00 52.49 C +ATOM 2048 O LEU B 295 12.246 38.561 71.666 1.00 52.34 O +ATOM 2049 CB LEU B 295 14.765 39.453 69.989 1.00 52.44 C +ATOM 2050 CG LEU B 295 16.026 38.709 69.523 1.00 52.46 C +ATOM 2051 CD1 LEU B 295 17.262 39.356 70.133 1.00 52.53 C +ATOM 2052 CD2 LEU B 295 15.993 37.219 69.870 1.00 52.51 C +ATOM 2053 N SER B 296 11.571 40.324 70.426 1.00 52.87 N +ATOM 2054 CA SER B 296 10.540 40.785 71.372 1.00 53.19 C +ATOM 2055 C SER B 296 9.109 40.357 71.031 1.00 53.16 C +ATOM 2056 O SER B 296 8.200 40.600 71.812 1.00 53.19 O +ATOM 2057 CB SER B 296 10.586 42.310 71.502 1.00 53.25 C +ATOM 2058 OG SER B 296 10.066 42.928 70.332 1.00 53.77 O +ATOM 2059 N HIS B 297 8.904 39.745 69.869 1.00 53.47 N +ATOM 2060 CA HIS B 297 7.582 39.257 69.495 1.00 53.92 C +ATOM 2061 C HIS B 297 7.065 38.274 70.553 1.00 54.25 C +ATOM 2062 O HIS B 297 7.806 37.382 70.970 1.00 54.33 O +ATOM 2063 CB HIS B 297 7.611 38.602 68.111 1.00 53.85 C +ATOM 2064 CG HIS B 297 6.280 38.087 67.653 1.00 54.45 C +ATOM 2065 ND1 HIS B 297 5.735 36.907 68.117 1.00 54.87 N +ATOM 2066 CD2 HIS B 297 5.386 38.587 66.765 1.00 54.77 C +ATOM 2067 CE1 HIS B 297 4.562 36.707 67.544 1.00 54.49 C +ATOM 2068 NE2 HIS B 297 4.327 37.710 66.717 1.00 54.63 N +ATOM 2069 N PRO B 298 5.814 38.474 70.992 1.00 54.60 N +ATOM 2070 CA PRO B 298 5.110 37.612 71.975 1.00 54.93 C +ATOM 2071 C PRO B 298 5.253 36.071 71.927 1.00 55.29 C +ATOM 2072 O PRO B 298 4.772 35.395 72.839 1.00 55.05 O +ATOM 2073 CB PRO B 298 3.641 37.992 71.755 1.00 54.82 C +ATOM 2074 CG PRO B 298 3.692 39.424 71.342 1.00 54.68 C +ATOM 2075 CD PRO B 298 4.977 39.625 70.597 1.00 54.46 C +ATOM 2076 N TYR B 299 5.890 35.526 70.893 1.00 55.89 N +ATOM 2077 CA TYR B 299 6.179 34.088 70.809 1.00 56.52 C +ATOM 2078 C TYR B 299 7.231 33.669 71.839 1.00 57.01 C +ATOM 2079 O TYR B 299 7.320 32.501 72.202 1.00 56.89 O +ATOM 2080 CB TYR B 299 6.631 33.724 69.376 1.00 56.51 C +ATOM 2081 CG TYR B 299 7.215 32.325 69.168 1.00 56.52 C +ATOM 2082 CD1 TYR B 299 6.418 31.189 69.243 1.00 56.64 C +ATOM 2083 CD2 TYR B 299 8.570 32.147 68.864 1.00 56.88 C +ATOM 2084 CE1 TYR B 299 6.955 29.908 69.039 1.00 56.68 C +ATOM 2085 CE2 TYR B 299 9.115 30.867 68.657 1.00 56.39 C +ATOM 2086 CZ TYR B 299 8.298 29.757 68.752 1.00 56.53 C +ATOM 2087 OH TYR B 299 8.816 28.497 68.559 1.00 56.75 O +ATOM 2088 N PHE B 300 7.998 34.641 72.327 1.00 57.93 N +ATOM 2089 CA PHE B 300 9.227 34.376 73.076 1.00 58.84 C +ATOM 2090 C PHE B 300 9.149 34.598 74.575 1.00 59.64 C +ATOM 2091 O PHE B 300 10.120 34.332 75.288 1.00 59.82 O +ATOM 2092 CB PHE B 300 10.363 35.233 72.525 1.00 58.64 C +ATOM 2093 CG PHE B 300 10.895 34.757 71.217 1.00 58.53 C +ATOM 2094 CD1 PHE B 300 11.487 33.501 71.109 1.00 58.44 C +ATOM 2095 CD2 PHE B 300 10.814 35.560 70.092 1.00 58.43 C +ATOM 2096 CE1 PHE B 300 11.989 33.050 69.896 1.00 58.35 C +ATOM 2097 CE2 PHE B 300 11.315 35.119 68.877 1.00 58.55 C +ATOM 2098 CZ PHE B 300 11.901 33.859 68.778 1.00 58.28 C +ATOM 2099 N GLN B 301 8.010 35.088 75.049 1.00 60.64 N +ATOM 2100 CA GLN B 301 7.831 35.399 76.461 1.00 61.63 C +ATOM 2101 C GLN B 301 8.165 34.217 77.372 1.00 62.29 C +ATOM 2102 O GLN B 301 8.800 34.402 78.415 1.00 62.42 O +ATOM 2103 CB GLN B 301 6.405 35.859 76.716 1.00 61.63 C +ATOM 2104 CG GLN B 301 5.932 36.962 75.793 1.00 62.62 C +ATOM 2105 CD GLN B 301 4.415 37.124 75.807 1.00 64.34 C +ATOM 2106 OE1 GLN B 301 3.707 36.417 76.534 1.00 64.97 O +ATOM 2107 NE2 GLN B 301 3.914 38.057 75.006 1.00 65.08 N +ATOM 2108 N ASP B 302 7.757 33.014 76.957 1.00 63.12 N +ATOM 2109 CA ASP B 302 7.889 31.787 77.760 1.00 63.98 C +ATOM 2110 C ASP B 302 9.321 31.379 78.116 1.00 64.58 C +ATOM 2111 O ASP B 302 9.545 30.743 79.145 1.00 64.89 O +ATOM 2112 CB ASP B 302 7.209 30.610 77.052 1.00 63.92 C +ATOM 2113 CG ASP B 302 5.711 30.789 76.929 1.00 64.17 C +ATOM 2114 OD1 ASP B 302 5.270 31.956 76.848 1.00 64.70 O +ATOM 2115 OD2 ASP B 302 4.901 29.827 76.901 1.00 63.66 O +ATOM 2116 N LEU B 303 10.273 31.749 77.266 1.00 65.14 N +ATOM 2117 CA LEU B 303 11.664 31.282 77.343 1.00 65.90 C +ATOM 2118 C LEU B 303 12.476 31.590 78.621 1.00 66.54 C +ATOM 2119 O LEU B 303 12.024 31.314 79.744 1.00 66.37 O +ATOM 2120 CB LEU B 303 12.426 31.807 76.125 1.00 65.80 C +ATOM 2121 CG LEU B 303 12.244 30.931 74.906 1.00 65.67 C +ATOM 2122 CD1 LEU B 303 12.722 31.675 73.704 1.00 65.31 C +ATOM 2123 CD2 LEU B 303 13.008 29.631 75.107 1.00 66.21 C +ATOM 2124 N GLU B 304 13.685 32.147 78.417 1.00 67.26 N +ATOM 2125 CA GLU B 304 14.623 32.512 79.491 1.00 67.73 C +ATOM 2126 C GLU B 304 13.930 33.334 80.573 1.00 68.22 C +ATOM 2127 O GLU B 304 14.441 33.449 81.693 1.00 68.58 O +ATOM 2128 CB GLU B 304 15.838 33.266 78.927 1.00 67.36 C +ATOM 2129 N ARG B 305 12.753 33.872 80.225 1.00 68.62 N +ATOM 2130 CA ARG B 305 11.908 34.683 81.113 1.00 68.74 C +ATOM 2131 C ARG B 305 12.695 35.851 81.731 1.00 68.88 C +ATOM 2132 O ARG B 305 12.579 36.140 82.935 1.00 69.01 O +ATOM 2133 CB ARG B 305 11.215 33.806 82.190 1.00 68.51 C +TER 2134 ARG B 305 +END diff --git a/bench/main_benchmark/structures/SFB_AL_CHEY_3CHYA_1FQWA/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_CHEY_3CHYA_1FQWA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2baa4dd71f0f255879e7ca4c3971ad07c4655e05 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_CHEY_3CHYA_1FQWA/state_a.pdb @@ -0,0 +1,1005 @@ +ATOM 1 N ALA A 2 39.362 22.441 8.844 1.00 30.41 N +ATOM 2 CA ALA A 2 39.866 21.059 8.959 1.00 29.93 C +ATOM 3 C ALA A 2 41.199 20.759 8.249 1.00 29.21 C +ATOM 4 O ALA A 2 41.543 20.967 7.074 1.00 30.60 O +ATOM 5 CB ALA A 2 38.795 20.064 8.507 1.00 29.58 C +ATOM 6 N ASP A 3 42.080 20.206 9.027 1.00 27.65 N +ATOM 7 CA ASP A 3 43.425 19.735 8.836 1.00 26.30 C +ATOM 8 C ASP A 3 43.389 18.455 7.985 1.00 24.41 C +ATOM 9 O ASP A 3 42.585 17.614 8.424 1.00 23.56 O +ATOM 10 CB ASP A 3 43.857 19.448 10.276 1.00 27.97 C +ATOM 11 CG ASP A 3 45.222 18.808 10.310 1.00 29.84 C +ATOM 12 OD1 ASP A 3 46.006 18.839 9.346 1.00 30.93 O +ATOM 13 OD2 ASP A 3 45.451 18.260 11.429 1.00 31.76 O +ATOM 14 N LYS A 4 44.159 18.342 6.916 1.00 22.09 N +ATOM 15 CA LYS A 4 44.119 17.105 6.147 1.00 21.23 C +ATOM 16 C LYS A 4 44.704 15.915 6.915 1.00 20.16 C +ATOM 17 O LYS A 4 44.551 14.758 6.475 1.00 19.21 O +ATOM 18 CB LYS A 4 44.883 17.235 4.852 1.00 22.39 C +ATOM 19 CG LYS A 4 44.216 18.382 4.082 1.00 23.77 C +ATOM 20 CD LYS A 4 42.941 17.882 3.423 1.00 25.16 C +ATOM 21 CE LYS A 4 42.954 18.515 2.027 1.00 26.05 C +ATOM 22 NZ LYS A 4 41.520 18.368 1.626 1.00 28.09 N +ATOM 23 N GLU A 5 45.355 16.227 8.047 1.00 18.24 N +ATOM 24 CA GLU A 5 45.918 15.101 8.820 1.00 16.83 C +ATOM 25 C GLU A 5 44.994 14.653 9.949 1.00 14.93 C +ATOM 26 O GLU A 5 45.443 13.788 10.711 1.00 14.94 O +ATOM 27 CB GLU A 5 47.299 15.384 9.392 1.00 17.57 C +ATOM 28 CG GLU A 5 48.293 15.599 8.241 1.00 18.60 C +ATOM 29 CD GLU A 5 48.405 14.534 7.198 1.00 19.05 C +ATOM 30 OE1 GLU A 5 48.708 13.453 7.785 1.00 20.64 O +ATOM 31 OE2 GLU A 5 48.272 14.603 6.002 1.00 18.75 O +ATOM 32 N LEU A 6 43.784 15.167 9.988 1.00 13.30 N +ATOM 33 CA LEU A 6 42.800 14.764 10.998 1.00 13.31 C +ATOM 34 C LEU A 6 42.770 13.224 10.991 1.00 13.26 C +ATOM 35 O LEU A 6 42.647 12.618 9.899 1.00 12.81 O +ATOM 36 CB LEU A 6 41.439 15.279 10.505 1.00 14.68 C +ATOM 37 CG LEU A 6 40.297 15.367 11.499 1.00 16.48 C +ATOM 38 CD1 LEU A 6 40.759 16.176 12.719 1.00 17.11 C +ATOM 39 CD2 LEU A 6 39.106 16.035 10.823 1.00 17.07 C +ATOM 40 N LYS A 7 42.807 12.585 12.143 1.00 12.83 N +ATOM 41 CA LYS A 7 42.788 11.087 12.105 1.00 12.56 C +ATOM 42 C LYS A 7 41.367 10.497 12.113 1.00 11.72 C +ATOM 43 O LYS A 7 40.644 10.758 13.107 1.00 11.89 O +ATOM 44 CB LYS A 7 43.507 10.595 13.325 1.00 14.38 C +ATOM 45 CG LYS A 7 43.640 9.054 13.183 1.00 16.61 C +ATOM 46 CD LYS A 7 44.582 8.769 14.330 1.00 19.17 C +ATOM 47 CE LYS A 7 45.070 7.333 14.306 1.00 21.88 C +ATOM 48 NZ LYS A 7 45.590 7.265 15.789 1.00 25.31 N +ATOM 49 N PHE A 8 40.966 9.773 11.112 1.00 9.99 N +ATOM 50 CA PHE A 8 39.620 9.225 11.057 1.00 9.01 C +ATOM 51 C PHE A 8 39.548 7.793 11.557 1.00 9.20 C +ATOM 52 O PHE A 8 40.526 7.087 11.313 1.00 10.53 O +ATOM 53 CB PHE A 8 39.117 9.201 9.592 1.00 8.87 C +ATOM 54 CG PHE A 8 38.705 10.530 9.047 1.00 8.84 C +ATOM 55 CD1 PHE A 8 39.688 11.457 8.702 1.00 8.85 C +ATOM 56 CD2 PHE A 8 37.399 10.854 8.804 1.00 8.77 C +ATOM 57 CE1 PHE A 8 39.382 12.717 8.186 1.00 9.69 C +ATOM 58 CE2 PHE A 8 37.058 12.108 8.278 1.00 9.18 C +ATOM 59 CZ PHE A 8 38.047 13.052 7.944 1.00 9.74 C +ATOM 60 N LEU A 9 38.438 7.363 12.131 1.00 7.59 N +ATOM 61 CA LEU A 9 38.249 5.964 12.522 1.00 7.65 C +ATOM 62 C LEU A 9 37.025 5.532 11.651 1.00 7.31 C +ATOM 63 O LEU A 9 35.999 6.216 11.790 1.00 6.92 O +ATOM 64 CB LEU A 9 37.999 5.788 14.010 1.00 8.19 C +ATOM 65 CG LEU A 9 37.780 4.283 14.376 1.00 8.65 C +ATOM 66 CD1 LEU A 9 39.088 3.520 14.103 1.00 8.63 C +ATOM 67 CD2 LEU A 9 37.376 4.261 15.824 1.00 8.73 C +ATOM 68 N VAL A 10 37.175 4.546 10.771 1.00 6.50 N +ATOM 69 CA VAL A 10 36.051 4.078 9.925 1.00 6.86 C +ATOM 70 C VAL A 10 35.540 2.750 10.572 1.00 6.49 C +ATOM 71 O VAL A 10 36.331 1.796 10.630 1.00 7.24 O +ATOM 72 CB VAL A 10 36.549 3.976 8.488 1.00 7.20 C +ATOM 73 CG1 VAL A 10 35.408 3.339 7.688 1.00 7.10 C +ATOM 74 CG2 VAL A 10 36.979 5.356 7.949 1.00 7.29 C +ATOM 75 N VAL A 11 34.309 2.680 10.936 1.00 5.09 N +ATOM 76 CA VAL A 11 33.741 1.537 11.645 1.00 6.39 C +ATOM 77 C VAL A 11 32.622 0.890 10.850 1.00 6.86 C +ATOM 78 O VAL A 11 31.598 1.575 10.569 1.00 6.32 O +ATOM 79 CB VAL A 11 33.185 2.022 13.049 1.00 6.41 C +ATOM 80 CG1 VAL A 11 32.871 0.770 13.942 1.00 5.68 C +ATOM 81 CG2 VAL A 11 34.131 2.950 13.790 1.00 6.14 C +ATOM 82 N ASP A 12 32.870 -0.392 10.518 1.00 7.34 N +ATOM 83 CA ASP A 12 31.811 -1.156 9.804 1.00 7.85 C +ATOM 84 C ASP A 12 32.151 -2.673 9.908 1.00 8.98 C +ATOM 85 O ASP A 12 33.379 -2.849 10.028 1.00 8.37 O +ATOM 86 CB ASP A 12 31.669 -0.730 8.350 1.00 9.45 C +ATOM 87 CG ASP A 12 30.416 -1.262 7.705 1.00 11.92 C +ATOM 88 OD1 ASP A 12 29.573 -1.993 8.255 1.00 12.46 O +ATOM 89 OD2 ASP A 12 30.211 -0.797 6.600 1.00 13.65 O +ATOM 90 N ASP A 13 31.125 -3.526 9.812 1.00 9.48 N +ATOM 91 CA ASP A 13 31.552 -4.975 9.930 1.00 11.12 C +ATOM 92 C ASP A 13 31.881 -5.497 8.543 1.00 11.56 C +ATOM 93 O ASP A 13 32.194 -6.716 8.428 1.00 14.09 O +ATOM 94 CB ASP A 13 30.521 -5.758 10.761 1.00 11.47 C +ATOM 95 CG ASP A 13 29.169 -5.675 10.146 1.00 13.03 C +ATOM 96 OD1 ASP A 13 28.799 -4.688 9.467 1.00 13.48 O +ATOM 97 OD2 ASP A 13 28.281 -6.568 10.274 1.00 14.87 O +ATOM 98 N PHE A 14 31.794 -4.730 7.494 1.00 10.82 N +ATOM 99 CA PHE A 14 32.160 -5.228 6.162 1.00 11.00 C +ATOM 100 C PHE A 14 33.489 -4.570 5.761 1.00 11.37 C +ATOM 101 O PHE A 14 33.542 -3.331 5.611 1.00 9.93 O +ATOM 102 CB PHE A 14 31.133 -4.899 5.108 1.00 12.12 C +ATOM 103 CG PHE A 14 29.904 -5.705 5.256 1.00 14.20 C +ATOM 104 CD1 PHE A 14 28.855 -5.243 6.052 1.00 14.81 C +ATOM 105 CD2 PHE A 14 29.819 -6.928 4.541 1.00 15.12 C +ATOM 106 CE1 PHE A 14 27.675 -5.994 6.143 1.00 16.09 C +ATOM 107 CE2 PHE A 14 28.586 -7.672 4.631 1.00 15.95 C +ATOM 108 CZ PHE A 14 27.530 -7.208 5.425 1.00 15.56 C +ATOM 109 N SER A 15 34.513 -5.419 5.627 1.00 11.49 N +ATOM 110 CA SER A 15 35.826 -4.868 5.227 1.00 12.20 C +ATOM 111 C SER A 15 35.731 -4.168 3.854 1.00 10.82 C +ATOM 112 O SER A 15 36.451 -3.151 3.664 1.00 10.41 O +ATOM 113 CB SER A 15 36.922 -5.940 5.284 1.00 13.75 C +ATOM 114 OG SER A 15 36.566 -6.775 4.160 1.00 16.38 O +ATOM 115 N THR A 16 34.923 -4.589 2.911 1.00 9.81 N +ATOM 116 CA THR A 16 34.876 -3.922 1.618 1.00 10.43 C +ATOM 117 C THR A 16 34.343 -2.493 1.777 1.00 9.27 C +ATOM 118 O THR A 16 34.903 -1.568 1.134 1.00 8.07 O +ATOM 119 CB THR A 16 34.047 -4.777 0.576 1.00 11.68 C +ATOM 120 OG1 THR A 16 34.841 -5.981 0.481 1.00 12.23 O +ATOM 121 CG2 THR A 16 33.772 -3.984 -0.683 1.00 12.67 C +ATOM 122 N MET A 17 33.333 -2.345 2.624 1.00 9.06 N +ATOM 123 CA MET A 17 32.758 -0.963 2.790 1.00 9.62 C +ATOM 124 C MET A 17 33.811 -0.101 3.472 1.00 9.31 C +ATOM 125 O MET A 17 33.937 1.070 3.053 1.00 9.14 O +ATOM 126 CB MET A 17 31.480 -0.940 3.581 1.00 10.53 C +ATOM 127 CG MET A 17 30.910 0.467 3.705 1.00 12.92 C +ATOM 128 SD MET A 17 30.380 1.143 2.084 1.00 14.90 S +ATOM 129 CE MET A 17 29.745 2.757 2.668 1.00 16.26 C +ATOM 130 N ARG A 18 34.540 -0.670 4.417 1.00 9.63 N +ATOM 131 CA ARG A 18 35.630 0.118 5.108 1.00 9.21 C +ATOM 132 C ARG A 18 36.665 0.560 4.066 1.00 9.81 C +ATOM 133 O ARG A 18 37.153 1.694 4.152 1.00 9.37 O +ATOM 134 CB ARG A 18 36.348 -0.538 6.247 1.00 8.55 C +ATOM 135 CG ARG A 18 35.435 -1.019 7.345 1.00 8.84 C +ATOM 136 CD ARG A 18 36.203 -1.245 8.647 1.00 8.59 C +ATOM 137 NE ARG A 18 37.160 -2.293 8.393 1.00 10.91 N +ATOM 138 CZ ARG A 18 36.927 -3.616 8.481 1.00 11.98 C +ATOM 139 NH1 ARG A 18 35.743 -4.172 8.852 1.00 10.84 N +ATOM 140 NH2 ARG A 18 37.926 -4.485 8.175 1.00 12.34 N +ATOM 141 N ARG A 19 37.013 -0.284 3.113 1.00 9.40 N +ATOM 142 CA ARG A 19 37.960 0.012 2.052 1.00 9.65 C +ATOM 143 C ARG A 19 37.457 1.148 1.139 1.00 8.28 C +ATOM 144 O ARG A 19 38.208 2.013 0.704 1.00 8.34 O +ATOM 145 CB ARG A 19 38.279 -1.247 1.179 1.00 11.02 C +ATOM 146 CG ARG A 19 39.519 -0.990 0.308 0.50 13.86 C +ATOM 147 CD ARG A 19 40.762 -1.427 1.008 0.50 16.05 C +ATOM 148 NE ARG A 19 41.862 -0.477 0.835 0.50 18.36 N +ATOM 149 CZ ARG A 19 43.007 -0.672 1.540 0.50 19.34 C +ATOM 150 NH1 ARG A 19 43.181 -1.835 2.182 0.50 19.99 N +ATOM 151 NH2 ARG A 19 44.010 0.212 1.603 0.50 20.11 N +ATOM 152 N ILE A 20 36.162 1.090 0.828 1.00 7.04 N +ATOM 153 CA ILE A 20 35.480 2.111 0.006 1.00 7.53 C +ATOM 154 C ILE A 20 35.620 3.493 0.667 1.00 7.30 C +ATOM 155 O ILE A 20 36.065 4.465 0.005 1.00 8.40 O +ATOM 156 CB ILE A 20 33.974 1.814 -0.240 1.00 6.51 C +ATOM 157 CG1 ILE A 20 33.878 0.610 -1.237 1.00 7.94 C +ATOM 158 CG2 ILE A 20 33.205 3.053 -0.838 1.00 7.08 C +ATOM 159 CD1 ILE A 20 32.406 0.044 -1.313 1.00 7.88 C +ATOM 160 N VAL A 21 35.218 3.523 1.946 1.00 7.57 N +ATOM 161 CA VAL A 21 35.304 4.818 2.693 1.00 7.90 C +ATOM 162 C VAL A 21 36.745 5.384 2.742 1.00 8.41 C +ATOM 163 O VAL A 21 37.048 6.587 2.562 1.00 8.17 O +ATOM 164 CB VAL A 21 34.608 4.708 4.061 1.00 8.08 C +ATOM 165 CG1 VAL A 21 34.757 5.984 4.895 1.00 7.19 C +ATOM 166 CG2 VAL A 21 33.122 4.312 3.865 1.00 7.84 C +ATOM 167 N ARG A 22 37.664 4.462 3.055 1.00 8.45 N +ATOM 168 CA ARG A 22 39.075 4.807 3.161 1.00 10.12 C +ATOM 169 C ARG A 22 39.502 5.372 1.801 1.00 9.69 C +ATOM 170 O ARG A 22 40.188 6.408 1.805 1.00 9.22 O +ATOM 171 CB ARG A 22 39.965 3.636 3.535 1.00 12.55 C +ATOM 172 CG ARG A 22 41.444 3.993 3.427 1.00 16.19 C +ATOM 173 CD ARG A 22 42.316 2.749 3.443 1.00 19.81 C +ATOM 174 NE ARG A 22 42.139 2.106 4.765 1.00 22.28 N +ATOM 175 CZ ARG A 22 43.010 2.406 5.779 1.00 23.86 C +ATOM 176 NH1 ARG A 22 43.963 3.346 5.531 1.00 24.50 N +ATOM 177 NH2 ARG A 22 43.027 1.784 6.983 1.00 23.36 N +ATOM 178 N ASN A 23 39.114 4.765 0.711 1.00 8.41 N +ATOM 179 CA ASN A 23 39.513 5.290 -0.613 1.00 9.19 C +ATOM 180 C ASN A 23 38.894 6.621 -0.959 1.00 8.38 C +ATOM 181 O ASN A 23 39.549 7.463 -1.596 1.00 8.21 O +ATOM 182 CB ASN A 23 39.381 4.136 -1.635 1.00 10.15 C +ATOM 183 CG AASN A 23 40.688 3.321 -1.582 0.50 10.81 C +ATOM 184 CG BASN A 23 39.806 4.419 -3.045 0.50 10.58 C +ATOM 185 OD1AASN A 23 41.628 3.654 -2.326 0.50 11.99 O +ATOM 186 OD1BASN A 23 39.114 5.154 -3.787 0.50 11.59 O +ATOM 187 ND2AASN A 23 40.855 2.309 -0.752 0.50 10.96 N +ATOM 188 ND2BASN A 23 40.911 3.795 -3.430 0.50 10.84 N +ATOM 189 N LEU A 24 37.648 6.793 -0.551 1.00 8.42 N +ATOM 190 CA LEU A 24 36.972 8.106 -0.812 1.00 8.46 C +ATOM 191 C LEU A 24 37.692 9.168 0.080 1.00 8.52 C +ATOM 192 O LEU A 24 37.897 10.237 -0.519 1.00 9.01 O +ATOM 193 CB LEU A 24 35.484 7.960 -0.504 1.00 8.66 C +ATOM 194 CG LEU A 24 34.701 7.028 -1.417 1.00 8.35 C +ATOM 195 CD1 LEU A 24 33.215 7.019 -1.009 1.00 8.88 C +ATOM 196 CD2 LEU A 24 34.748 7.565 -2.847 1.00 8.57 C +ATOM 197 N LEU A 25 38.076 8.874 1.316 1.00 7.86 N +ATOM 198 CA LEU A 25 38.729 9.936 2.089 1.00 9.34 C +ATOM 199 C LEU A 25 40.062 10.286 1.425 1.00 10.90 C +ATOM 200 O LEU A 25 40.446 11.454 1.383 1.00 9.48 O +ATOM 201 CB LEU A 25 38.983 9.447 3.521 1.00 9.32 C +ATOM 202 CG LEU A 25 37.697 9.293 4.354 1.00 9.38 C +ATOM 203 CD1 LEU A 25 37.971 8.486 5.613 1.00 8.37 C +ATOM 204 CD2 LEU A 25 37.222 10.721 4.717 1.00 9.82 C +ATOM 205 N LYS A 26 40.693 9.191 0.947 1.00 12.20 N +ATOM 206 CA LYS A 26 42.030 9.394 0.304 1.00 13.99 C +ATOM 207 C LYS A 26 41.913 10.303 -0.900 1.00 13.51 C +ATOM 208 O LYS A 26 42.791 11.175 -1.098 1.00 13.38 O +ATOM 209 CB LYS A 26 42.666 8.071 -0.082 1.00 15.91 C +ATOM 210 CG LYS A 26 44.072 8.088 -0.675 1.00 18.91 C +ATOM 211 CD LYS A 26 44.423 6.574 -0.860 1.00 20.85 C +ATOM 212 CE LYS A 26 44.282 5.950 0.542 1.00 22.54 C +ATOM 213 NZ LYS A 26 45.594 5.926 1.290 1.00 24.60 N +ATOM 214 N GLU A 27 40.858 10.160 -1.652 1.00 13.20 N +ATOM 215 CA GLU A 27 40.600 11.001 -2.853 1.00 14.28 C +ATOM 216 C GLU A 27 40.427 12.446 -2.433 1.00 14.32 C +ATOM 217 O GLU A 27 40.868 13.367 -3.183 1.00 16.16 O +ATOM 218 CB GLU A 27 39.352 10.429 -3.461 1.00 14.91 C +ATOM 219 CG GLU A 27 38.700 11.077 -4.601 1.00 16.52 C +ATOM 220 CD GLU A 27 37.720 10.124 -5.274 1.00 16.63 C +ATOM 221 OE1 GLU A 27 37.502 8.962 -5.132 1.00 17.13 O +ATOM 222 OE2 GLU A 27 37.163 10.903 -6.116 1.00 18.69 O +ATOM 223 N LEU A 28 39.876 12.711 -1.257 1.00 12.27 N +ATOM 224 CA LEU A 28 39.697 14.104 -0.801 1.00 11.86 C +ATOM 225 C LEU A 28 40.993 14.628 -0.176 1.00 11.66 C +ATOM 226 O LEU A 28 40.941 15.839 0.062 1.00 13.58 O +ATOM 227 CB LEU A 28 38.526 14.188 0.186 1.00 11.49 C +ATOM 228 CG LEU A 28 37.186 13.698 -0.369 1.00 11.89 C +ATOM 229 CD1 LEU A 28 36.076 13.743 0.658 1.00 12.04 C +ATOM 230 CD2 LEU A 28 36.810 14.497 -1.634 1.00 12.61 C +ATOM 231 N GLY A 29 42.011 13.875 0.101 1.00 10.32 N +ATOM 232 CA GLY A 29 43.214 14.364 0.729 1.00 10.36 C +ATOM 233 C GLY A 29 43.365 14.003 2.196 1.00 10.90 C +ATOM 234 O GLY A 29 44.308 14.435 2.864 1.00 11.59 O +ATOM 235 N PHE A 30 42.515 13.097 2.689 1.00 9.99 N +ATOM 236 CA PHE A 30 42.513 12.608 4.071 1.00 10.27 C +ATOM 237 C PHE A 30 43.092 11.179 4.090 1.00 10.92 C +ATOM 238 O PHE A 30 42.423 10.214 3.709 1.00 11.55 O +ATOM 239 CB PHE A 30 41.187 12.617 4.831 1.00 10.33 C +ATOM 240 CG PHE A 30 40.593 13.985 4.941 1.00 10.89 C +ATOM 241 CD1 PHE A 30 41.017 14.932 5.868 1.00 10.91 C +ATOM 242 CD2 PHE A 30 39.583 14.300 4.023 1.00 11.03 C +ATOM 243 CE1 PHE A 30 40.396 16.180 5.883 1.00 11.34 C +ATOM 244 CE2 PHE A 30 38.940 15.528 4.082 1.00 11.22 C +ATOM 245 CZ PHE A 30 39.352 16.472 5.000 1.00 11.33 C +ATOM 246 N ASN A 31 44.347 11.108 4.510 1.00 11.67 N +ATOM 247 CA ASN A 31 45.055 9.819 4.499 1.00 12.46 C +ATOM 248 C ASN A 31 45.270 9.231 5.872 1.00 12.51 C +ATOM 249 O ASN A 31 45.763 8.084 5.853 1.00 13.65 O +ATOM 250 CB ASN A 31 46.422 10.064 3.849 1.00 13.83 C +ATOM 251 CG ASN A 31 46.281 10.521 2.395 1.00 15.27 C +ATOM 252 OD1 ASN A 31 46.134 9.585 1.574 1.00 16.86 O +ATOM 253 ND2 ASN A 31 46.349 11.822 2.150 1.00 15.60 N +ATOM 254 N ASN A 32 44.961 9.864 6.940 1.00 11.61 N +ATOM 255 CA ASN A 32 45.240 9.226 8.268 1.00 12.69 C +ATOM 256 C ASN A 32 43.925 8.527 8.652 1.00 11.67 C +ATOM 257 O ASN A 32 43.141 9.235 9.320 1.00 11.27 O +ATOM 258 CB ASN A 32 45.614 10.341 9.217 1.00 13.12 C +ATOM 259 CG AASN A 32 46.230 10.068 10.533 0.55 12.67 C +ATOM 260 CG BASN A 32 46.979 10.900 9.093 0.45 14.20 C +ATOM 261 OD1AASN A 32 46.608 8.937 10.795 0.55 13.10 O +ATOM 262 OD1BASN A 32 47.831 10.138 8.621 0.45 15.21 O +ATOM 263 ND2AASN A 32 46.292 11.151 11.318 0.55 13.12 N +ATOM 264 ND2BASN A 32 47.125 12.149 9.518 0.45 15.00 N +ATOM 265 N VAL A 33 43.802 7.288 8.270 1.00 11.63 N +ATOM 266 CA VAL A 33 42.571 6.524 8.529 1.00 11.96 C +ATOM 267 C VAL A 33 42.890 5.207 9.195 1.00 12.16 C +ATOM 268 O VAL A 33 43.799 4.518 8.787 1.00 12.54 O +ATOM 269 CB VAL A 33 41.792 6.281 7.192 1.00 11.59 C +ATOM 270 CG1 VAL A 33 40.538 5.456 7.341 1.00 11.63 C +ATOM 271 CG2 VAL A 33 41.516 7.609 6.493 1.00 11.89 C +ATOM 272 N GLU A 34 42.136 4.822 10.188 1.00 12.45 N +ATOM 273 CA GLU A 34 42.217 3.555 10.885 1.00 12.97 C +ATOM 274 C GLU A 34 40.799 2.956 10.757 1.00 11.13 C +ATOM 275 O GLU A 34 39.847 3.703 10.521 1.00 9.07 O +ATOM 276 CB GLU A 34 42.528 3.675 12.368 1.00 17.19 C +ATOM 277 CG GLU A 34 43.894 4.370 12.561 1.00 23.39 C +ATOM 278 CD GLU A 34 44.998 3.379 12.228 1.00 27.17 C +ATOM 279 OE1 GLU A 34 44.838 2.138 12.262 1.00 29.09 O +ATOM 280 OE2 GLU A 34 46.079 3.958 11.916 1.00 29.71 O +ATOM 281 N GLU A 35 40.678 1.692 10.972 1.00 9.46 N +ATOM 282 CA GLU A 35 39.459 0.922 10.870 1.00 9.59 C +ATOM 283 C GLU A 35 39.140 0.115 12.116 1.00 9.41 C +ATOM 284 O GLU A 35 40.005 -0.339 12.837 1.00 8.37 O +ATOM 285 CB GLU A 35 39.683 -0.156 9.763 1.00 10.55 C +ATOM 286 CG GLU A 35 39.781 0.528 8.404 1.00 12.27 C +ATOM 287 CD GLU A 35 40.034 -0.375 7.258 1.00 14.61 C +ATOM 288 OE1 GLU A 35 39.482 -1.492 7.235 1.00 14.38 O +ATOM 289 OE2 GLU A 35 40.782 -0.025 6.322 1.00 17.18 O +ATOM 290 N ALA A 36 37.839 -0.126 12.307 1.00 9.44 N +ATOM 291 CA ALA A 36 37.315 -0.941 13.444 1.00 9.11 C +ATOM 292 C ALA A 36 36.177 -1.773 12.840 1.00 9.52 C +ATOM 293 O ALA A 36 35.490 -1.334 11.894 1.00 8.43 O +ATOM 294 CB ALA A 36 36.985 -0.164 14.705 1.00 7.53 C +ATOM 295 N GLU A 37 35.932 -2.955 13.464 1.00 9.65 N +ATOM 296 CA GLU A 37 34.899 -3.826 12.928 1.00 10.26 C +ATOM 297 C GLU A 37 33.590 -3.875 13.618 1.00 9.70 C +ATOM 298 O GLU A 37 32.622 -4.474 13.059 1.00 9.50 O +ATOM 299 CB GLU A 37 35.482 -5.249 12.773 1.00 12.82 C +ATOM 300 CG AGLU A 37 35.801 -5.995 14.045 0.55 13.27 C +ATOM 301 CG BGLU A 37 36.771 -5.210 11.959 0.45 14.48 C +ATOM 302 CD AGLU A 37 36.291 -7.420 13.858 0.55 14.21 C +ATOM 303 CD BGLU A 37 37.221 -6.484 11.338 0.45 16.04 C +ATOM 304 OE1AGLU A 37 36.975 -7.686 12.904 0.55 14.32 O +ATOM 305 OE1BGLU A 37 36.831 -6.765 10.206 0.45 17.20 O +ATOM 306 OE2AGLU A 37 35.861 -8.183 14.755 0.55 15.13 O +ATOM 307 OE2BGLU A 37 37.999 -7.138 12.079 0.45 16.33 O +ATOM 308 N ASP A 38 33.412 -3.214 14.726 1.00 8.84 N +ATOM 309 CA ASP A 38 32.148 -3.146 15.498 1.00 9.90 C +ATOM 310 C ASP A 38 32.288 -2.046 16.576 1.00 8.50 C +ATOM 311 O ASP A 38 33.421 -1.544 16.671 1.00 8.18 O +ATOM 312 CB ASP A 38 31.650 -4.542 15.930 1.00 10.08 C +ATOM 313 CG ASP A 38 32.443 -5.041 17.112 1.00 11.78 C +ATOM 314 OD1 ASP A 38 33.109 -4.283 17.833 1.00 11.41 O +ATOM 315 OD2 ASP A 38 32.333 -6.263 17.345 1.00 12.87 O +ATOM 316 N GLY A 39 31.193 -1.703 17.245 1.00 8.25 N +ATOM 317 CA GLY A 39 31.258 -0.630 18.251 1.00 9.20 C +ATOM 318 C GLY A 39 32.303 -0.843 19.344 1.00 10.13 C +ATOM 319 O GLY A 39 33.030 0.066 19.825 1.00 9.38 O +ATOM 320 N VAL A 40 32.387 -2.138 19.762 1.00 10.28 N +ATOM 321 CA VAL A 40 33.368 -2.487 20.841 1.00 10.86 C +ATOM 322 C VAL A 40 34.819 -2.342 20.414 1.00 10.18 C +ATOM 323 O VAL A 40 35.656 -1.755 21.094 1.00 10.53 O +ATOM 324 CB VAL A 40 33.022 -3.872 21.484 1.00 11.63 C +ATOM 325 CG1 VAL A 40 34.216 -4.170 22.406 1.00 13.28 C +ATOM 326 CG2 VAL A 40 31.655 -3.938 22.120 1.00 12.72 C +ATOM 327 N ASP A 41 35.170 -2.804 19.236 1.00 10.91 N +ATOM 328 CA ASP A 41 36.476 -2.684 18.631 1.00 10.72 C +ATOM 329 C ASP A 41 36.825 -1.173 18.519 1.00 10.99 C +ATOM 330 O ASP A 41 37.913 -0.665 18.806 1.00 10.11 O +ATOM 331 CB ASP A 41 36.445 -3.380 17.267 1.00 11.90 C +ATOM 332 CG ASP A 41 37.798 -3.445 16.592 1.00 12.84 C +ATOM 333 OD1 ASP A 41 38.813 -3.545 17.329 1.00 13.68 O +ATOM 334 OD2 ASP A 41 37.985 -3.428 15.380 1.00 13.30 O +ATOM 335 N ALA A 42 35.772 -0.428 18.112 1.00 9.75 N +ATOM 336 CA ALA A 42 36.037 1.042 17.955 1.00 9.45 C +ATOM 337 C ALA A 42 36.410 1.713 19.270 1.00 10.04 C +ATOM 338 O ALA A 42 37.293 2.564 19.275 1.00 9.91 O +ATOM 339 CB ALA A 42 34.808 1.656 17.288 1.00 8.97 C +ATOM 340 N LEU A 43 35.662 1.376 20.338 1.00 11.11 N +ATOM 341 CA LEU A 43 35.960 2.015 21.658 1.00 11.48 C +ATOM 342 C LEU A 43 37.354 1.596 22.129 1.00 11.92 C +ATOM 343 O LEU A 43 38.031 2.411 22.719 1.00 12.03 O +ATOM 344 CB LEU A 43 34.849 1.659 22.602 1.00 11.59 C +ATOM 345 CG LEU A 43 33.459 2.225 22.388 1.00 11.34 C +ATOM 346 CD1 LEU A 43 32.478 1.593 23.381 1.00 11.53 C +ATOM 347 CD2 LEU A 43 33.550 3.744 22.597 1.00 11.30 C +ATOM 348 N ASN A 44 37.755 0.352 21.832 1.00 12.78 N +ATOM 349 CA ASN A 44 39.113 -0.160 22.223 1.00 14.21 C +ATOM 350 C ASN A 44 40.124 0.800 21.626 1.00 15.25 C +ATOM 351 O ASN A 44 41.037 1.309 22.303 1.00 16.40 O +ATOM 352 CB ASN A 44 39.333 -1.636 21.879 1.00 13.55 C +ATOM 353 CG ASN A 44 38.881 -2.544 23.010 1.00 13.15 C +ATOM 354 OD1 ASN A 44 38.879 -2.190 24.192 1.00 13.32 O +ATOM 355 ND2 ASN A 44 38.535 -3.752 22.628 1.00 13.93 N +ATOM 356 N LYS A 45 39.897 1.092 20.343 1.00 15.91 N +ATOM 357 CA LYS A 45 40.793 2.038 19.631 1.00 17.14 C +ATOM 358 C LYS A 45 40.685 3.490 20.033 1.00 17.31 C +ATOM 359 O LYS A 45 41.718 4.143 20.206 1.00 17.96 O +ATOM 360 CB LYS A 45 40.468 1.918 18.115 1.00 18.67 C +ATOM 361 CG LYS A 45 40.961 0.610 17.633 1.00 20.89 C +ATOM 362 CD LYS A 45 41.004 0.266 16.186 1.00 23.38 C +ATOM 363 CE LYS A 45 41.406 -1.247 16.137 1.00 25.16 C +ATOM 364 NZ LYS A 45 42.005 -1.565 14.796 1.00 27.16 N +ATOM 365 N LEU A 46 39.522 4.072 20.168 1.00 16.99 N +ATOM 366 CA LEU A 46 39.387 5.473 20.520 1.00 18.29 C +ATOM 367 C LEU A 46 40.033 5.733 21.874 1.00 21.04 C +ATOM 368 O LEU A 46 40.452 6.868 22.159 1.00 20.78 O +ATOM 369 CB LEU A 46 37.874 5.712 20.574 1.00 16.12 C +ATOM 370 CG LEU A 46 37.197 5.857 19.215 1.00 14.77 C +ATOM 371 CD1 LEU A 46 35.689 6.010 19.457 1.00 14.13 C +ATOM 372 CD2 LEU A 46 37.754 7.035 18.445 1.00 13.74 C +ATOM 373 N GLN A 47 39.995 4.685 22.683 1.00 23.96 N +ATOM 374 CA GLN A 47 40.603 4.807 24.034 1.00 27.84 C +ATOM 375 C GLN A 47 42.076 5.125 23.841 1.00 28.03 C +ATOM 376 O GLN A 47 42.603 5.874 24.667 1.00 29.26 O +ATOM 377 CB GLN A 47 40.444 3.596 24.972 1.00 30.26 C +ATOM 378 CG GLN A 47 38.993 3.306 25.269 1.00 32.82 C +ATOM 379 CD GLN A 47 38.534 3.890 26.582 1.00 35.07 C +ATOM 380 OE1 GLN A 47 38.208 3.068 27.494 1.00 36.42 O +ATOM 381 NE2 GLN A 47 38.507 5.228 26.733 1.00 35.65 N +ATOM 382 N ALA A 48 42.735 4.632 22.830 1.00 28.92 N +ATOM 383 CA ALA A 48 44.152 4.938 22.563 1.00 28.91 C +ATOM 384 C ALA A 48 44.381 6.466 22.524 1.00 29.18 C +ATOM 385 O ALA A 48 45.489 6.973 22.854 1.00 30.09 O +ATOM 386 CB ALA A 48 44.595 4.437 21.187 1.00 29.12 C +ATOM 387 N GLY A 49 43.333 7.179 22.113 1.00 27.89 N +ATOM 388 CA GLY A 49 43.361 8.629 21.957 1.00 25.97 C +ATOM 389 C GLY A 49 43.953 8.910 20.549 1.00 25.16 C +ATOM 390 O GLY A 49 44.469 8.079 19.765 1.00 25.43 O +ATOM 391 N GLY A 50 43.849 10.202 20.265 1.00 23.85 N +ATOM 392 CA GLY A 50 44.325 10.838 19.043 1.00 22.12 C +ATOM 393 C GLY A 50 43.362 10.945 17.870 1.00 20.09 C +ATOM 394 O GLY A 50 43.806 11.546 16.864 1.00 20.68 O +ATOM 395 N TYR A 51 42.147 10.469 17.958 1.00 17.18 N +ATOM 396 CA TYR A 51 41.220 10.545 16.803 1.00 15.24 C +ATOM 397 C TYR A 51 40.524 11.895 16.659 1.00 13.78 C +ATOM 398 O TYR A 51 40.238 12.565 17.695 1.00 14.48 O +ATOM 399 CB TYR A 51 40.175 9.389 16.958 1.00 15.12 C +ATOM 400 CG TYR A 51 40.866 8.048 16.751 1.00 14.77 C +ATOM 401 CD1 TYR A 51 40.961 7.551 15.451 1.00 15.29 C +ATOM 402 CD2 TYR A 51 41.412 7.303 17.781 1.00 15.05 C +ATOM 403 CE1 TYR A 51 41.580 6.334 15.182 1.00 15.55 C +ATOM 404 CE2 TYR A 51 42.023 6.074 17.564 1.00 14.84 C +ATOM 405 CZ TYR A 51 42.122 5.636 16.270 1.00 16.20 C +ATOM 406 OH TYR A 51 42.727 4.431 15.938 1.00 18.01 O +ATOM 407 N GLY A 52 40.269 12.259 15.415 1.00 11.73 N +ATOM 408 CA GLY A 52 39.540 13.518 15.178 1.00 10.48 C +ATOM 409 C GLY A 52 38.156 13.369 14.601 1.00 9.51 C +ATOM 410 O GLY A 52 37.432 14.375 14.569 1.00 9.03 O +ATOM 411 N PHE A 53 37.824 12.155 14.113 1.00 8.86 N +ATOM 412 CA PHE A 53 36.472 12.087 13.481 1.00 8.10 C +ATOM 413 C PHE A 53 36.126 10.619 13.393 1.00 8.59 C +ATOM 414 O PHE A 53 37.084 9.845 13.111 1.00 9.23 O +ATOM 415 CB PHE A 53 36.699 12.681 12.064 1.00 7.86 C +ATOM 416 CG PHE A 53 35.458 13.161 11.375 1.00 8.28 C +ATOM 417 CD1 PHE A 53 34.499 12.250 10.927 1.00 7.69 C +ATOM 418 CD2 PHE A 53 35.237 14.524 11.219 1.00 8.52 C +ATOM 419 CE1 PHE A 53 33.313 12.715 10.320 1.00 7.99 C +ATOM 420 CE2 PHE A 53 34.068 14.997 10.621 1.00 8.61 C +ATOM 421 CZ PHE A 53 33.108 14.116 10.174 1.00 7.83 C +ATOM 422 N VAL A 54 34.908 10.230 13.553 1.00 7.86 N +ATOM 423 CA VAL A 54 34.446 8.846 13.444 1.00 7.85 C +ATOM 424 C VAL A 54 33.362 8.735 12.352 1.00 7.52 C +ATOM 425 O VAL A 54 32.463 9.597 12.285 1.00 7.92 O +ATOM 426 CB VAL A 54 33.785 8.390 14.775 1.00 7.70 C +ATOM 427 CG1 VAL A 54 33.239 6.971 14.624 1.00 8.08 C +ATOM 428 CG2 VAL A 54 34.769 8.483 15.910 1.00 8.44 C +ATOM 429 N ILE A 55 33.462 7.726 11.540 1.00 6.50 N +ATOM 430 CA ILE A 55 32.425 7.428 10.502 1.00 6.22 C +ATOM 431 C ILE A 55 31.961 6.023 10.934 1.00 6.77 C +ATOM 432 O ILE A 55 32.862 5.119 10.953 1.00 7.70 O +ATOM 433 CB ILE A 55 32.971 7.447 9.057 1.00 6.06 C +ATOM 434 CG1 ILE A 55 33.435 8.933 8.780 1.00 5.27 C +ATOM 435 CG2 ILE A 55 31.864 6.935 8.094 1.00 6.23 C +ATOM 436 CD1 ILE A 55 34.257 9.085 7.490 1.00 5.60 C +ATOM 437 N SER A 56 30.725 5.832 11.232 1.00 6.27 N +ATOM 438 CA SER A 56 30.294 4.516 11.687 1.00 6.05 C +ATOM 439 C SER A 56 29.008 4.129 11.043 1.00 5.87 C +ATOM 440 O SER A 56 28.099 4.946 10.856 1.00 5.95 O +ATOM 441 CB SER A 56 30.146 4.618 13.208 1.00 6.53 C +ATOM 442 OG ASER A 56 29.436 3.497 13.709 0.60 6.02 O +ATOM 443 OG BSER A 56 29.245 5.586 13.557 0.40 6.17 O +ATOM 444 N ASP A 57 28.933 2.833 10.740 1.00 6.55 N +ATOM 445 CA ASP A 57 27.670 2.307 10.177 1.00 7.11 C +ATOM 446 C ASP A 57 26.708 2.177 11.360 1.00 7.73 C +ATOM 447 O ASP A 57 27.013 1.925 12.520 1.00 7.98 O +ATOM 448 CB ASP A 57 27.913 0.882 9.591 1.00 8.24 C +ATOM 449 CG ASP A 57 26.779 0.572 8.663 1.00 10.36 C +ATOM 450 OD1 ASP A 57 26.818 1.084 7.530 1.00 10.28 O +ATOM 451 OD2 ASP A 57 25.743 -0.028 9.011 1.00 10.95 O +ATOM 452 N TRP A 58 25.423 2.309 11.030 1.00 7.78 N +ATOM 453 CA TRP A 58 24.332 2.152 11.998 1.00 9.41 C +ATOM 454 C TRP A 58 24.194 0.680 12.438 1.00 9.48 C +ATOM 455 O TRP A 58 23.880 0.479 13.618 1.00 9.83 O +ATOM 456 CB TRP A 58 23.053 2.601 11.280 1.00 10.67 C +ATOM 457 CG TRP A 58 21.771 2.566 12.033 1.00 12.47 C +ATOM 458 CD1 TRP A 58 20.725 1.655 11.856 1.00 12.87 C +ATOM 459 CD2 TRP A 58 21.327 3.542 13.000 1.00 12.74 C +ATOM 460 NE1 TRP A 58 19.682 1.983 12.733 1.00 13.64 N +ATOM 461 CE2 TRP A 58 20.024 3.152 13.416 1.00 13.31 C +ATOM 462 CE3 TRP A 58 21.895 4.685 13.522 1.00 13.80 C +ATOM 463 CZ2 TRP A 58 19.312 3.854 14.375 1.00 12.81 C +ATOM 464 CZ3 TRP A 58 21.170 5.406 14.490 1.00 14.07 C +ATOM 465 CH2 TRP A 58 19.893 4.977 14.881 1.00 13.42 C +ATOM 466 N ASN A 59 24.373 -0.250 11.484 1.00 9.07 N +ATOM 467 CA ASN A 59 24.127 -1.669 11.869 1.00 9.33 C +ATOM 468 C ASN A 59 25.385 -2.481 12.035 1.00 8.81 C +ATOM 469 O ASN A 59 26.003 -2.812 11.008 1.00 9.35 O +ATOM 470 CB ASN A 59 23.278 -2.196 10.714 1.00 10.27 C +ATOM 471 CG ASN A 59 22.856 -3.634 10.957 1.00 11.44 C +ATOM 472 OD1 ASN A 59 22.752 -4.063 12.105 1.00 12.62 O +ATOM 473 ND2 ASN A 59 22.631 -4.270 9.811 1.00 13.12 N +ATOM 474 N MET A 60 25.713 -2.871 13.261 1.00 8.37 N +ATOM 475 CA MET A 60 26.937 -3.652 13.507 1.00 8.46 C +ATOM 476 C MET A 60 26.585 -4.598 14.663 1.00 9.08 C +ATOM 477 O MET A 60 25.770 -4.130 15.440 1.00 9.28 O +ATOM 478 CB MET A 60 28.160 -2.800 13.911 1.00 8.00 C +ATOM 479 CG MET A 60 28.481 -1.800 12.803 1.00 8.44 C +ATOM 480 SD MET A 60 29.899 -0.730 13.316 1.00 9.77 S +ATOM 481 CE MET A 60 29.141 0.206 14.616 1.00 6.82 C +ATOM 482 N PRO A 61 27.194 -5.761 14.684 1.00 9.09 N +ATOM 483 CA PRO A 61 26.951 -6.667 15.808 1.00 9.29 C +ATOM 484 C PRO A 61 27.632 -6.220 17.066 1.00 9.20 C +ATOM 485 O PRO A 61 28.553 -5.385 17.046 1.00 8.99 O +ATOM 486 CB PRO A 61 27.556 -7.983 15.267 1.00 10.38 C +ATOM 487 CG PRO A 61 28.683 -7.540 14.321 1.00 9.81 C +ATOM 488 CD PRO A 61 28.147 -6.278 13.718 1.00 8.95 C +ATOM 489 N ASN A 62 27.210 -6.737 18.198 1.00 9.57 N +ATOM 490 CA ASN A 62 27.809 -6.494 19.527 1.00 10.15 C +ATOM 491 C ASN A 62 27.507 -5.076 20.013 1.00 10.71 C +ATOM 492 O ASN A 62 26.842 -5.038 21.088 1.00 12.01 O +ATOM 493 CB ASN A 62 29.294 -6.852 19.567 1.00 9.51 C +ATOM 494 CG ASN A 62 29.540 -8.276 19.004 1.00 10.68 C +ATOM 495 OD1 ASN A 62 28.850 -9.201 19.481 1.00 10.58 O +ATOM 496 ND2 ASN A 62 30.499 -8.417 18.068 1.00 10.54 N +ATOM 497 N MET A 63 27.979 -4.076 19.335 1.00 9.17 N +ATOM 498 CA MET A 63 27.643 -2.689 19.746 1.00 9.70 C +ATOM 499 C MET A 63 27.302 -1.965 18.445 1.00 8.67 C +ATOM 500 O MET A 63 28.275 -1.871 17.652 1.00 8.02 O +ATOM 501 CB MET A 63 28.784 -2.049 20.488 1.00 11.27 C +ATOM 502 CG MET A 63 28.324 -0.646 20.882 1.00 14.02 C +ATOM 503 SD MET A 63 29.704 0.218 21.814 1.00 16.12 S +ATOM 504 CE MET A 63 29.755 -0.943 23.196 1.00 13.80 C +ATOM 505 N ASP A 64 26.052 -1.593 18.263 1.00 7.80 N +ATOM 506 CA ASP A 64 25.684 -0.919 16.971 1.00 8.87 C +ATOM 507 C ASP A 64 26.082 0.570 16.926 1.00 8.38 C +ATOM 508 O ASP A 64 26.697 1.065 17.865 1.00 7.97 O +ATOM 509 CB ASP A 64 24.238 -1.181 16.614 1.00 9.55 C +ATOM 510 CG ASP A 64 23.245 -0.586 17.586 1.00 10.71 C +ATOM 511 OD1 ASP A 64 23.493 0.333 18.400 1.00 10.66 O +ATOM 512 OD2 ASP A 64 22.084 -1.027 17.502 1.00 12.19 O +ATOM 513 N GLY A 65 25.734 1.221 15.805 1.00 8.33 N +ATOM 514 CA GLY A 65 26.101 2.638 15.628 1.00 8.45 C +ATOM 515 C GLY A 65 25.529 3.554 16.676 1.00 8.93 C +ATOM 516 O GLY A 65 26.321 4.409 17.160 1.00 8.41 O +ATOM 517 N LEU A 66 24.277 3.445 17.072 1.00 8.54 N +ATOM 518 CA LEU A 66 23.667 4.297 18.071 1.00 8.84 C +ATOM 519 C LEU A 66 24.308 4.080 19.452 1.00 9.82 C +ATOM 520 O LEU A 66 24.544 5.062 20.197 1.00 8.93 O +ATOM 521 CB LEU A 66 22.180 4.026 18.050 1.00 9.75 C +ATOM 522 CG LEU A 66 21.368 4.865 19.016 1.00 11.19 C +ATOM 523 CD1 LEU A 66 21.484 6.309 18.584 1.00 11.20 C +ATOM 524 CD2 LEU A 66 19.930 4.348 18.916 1.00 11.69 C +ATOM 525 N GLU A 67 24.612 2.795 19.750 1.00 9.49 N +ATOM 526 CA GLU A 67 25.256 2.486 21.052 1.00 11.39 C +ATOM 527 C GLU A 67 26.651 3.057 21.124 1.00 9.93 C +ATOM 528 O GLU A 67 27.053 3.662 22.138 1.00 10.14 O +ATOM 529 CB GLU A 67 25.292 0.998 21.366 1.00 14.27 C +ATOM 530 CG GLU A 67 25.720 0.911 22.856 1.00 19.89 C +ATOM 531 CD GLU A 67 25.550 -0.415 23.546 1.00 23.54 C +ATOM 532 OE1 GLU A 67 24.997 -1.339 22.826 1.00 26.15 O +ATOM 533 OE2 GLU A 67 25.957 -0.521 24.716 1.00 25.62 O +ATOM 534 N LEU A 68 27.437 2.943 20.046 1.00 8.63 N +ATOM 535 CA LEU A 68 28.768 3.536 19.955 1.00 7.89 C +ATOM 536 C LEU A 68 28.672 5.066 20.136 1.00 7.03 C +ATOM 537 O LEU A 68 29.438 5.670 20.902 1.00 7.18 O +ATOM 538 CB LEU A 68 29.373 3.168 18.594 1.00 7.49 C +ATOM 539 CG LEU A 68 30.698 3.901 18.332 1.00 8.32 C +ATOM 540 CD1 LEU A 68 31.737 3.556 19.385 1.00 8.35 C +ATOM 541 CD2 LEU A 68 31.228 3.432 16.972 1.00 8.64 C +ATOM 542 N LEU A 69 27.775 5.724 19.410 1.00 6.52 N +ATOM 543 CA LEU A 69 27.608 7.185 19.503 1.00 7.32 C +ATOM 544 C LEU A 69 27.226 7.630 20.932 1.00 8.24 C +ATOM 545 O LEU A 69 27.806 8.595 21.448 1.00 8.69 O +ATOM 546 CB LEU A 69 26.480 7.599 18.524 1.00 6.93 C +ATOM 547 CG LEU A 69 25.952 9.021 18.585 1.00 7.17 C +ATOM 548 CD1 LEU A 69 27.089 9.974 18.156 1.00 7.10 C +ATOM 549 CD2 LEU A 69 24.724 9.166 17.686 1.00 7.53 C +ATOM 550 N LYS A 70 26.294 6.967 21.578 1.00 9.06 N +ATOM 551 CA LYS A 70 25.897 7.338 22.948 1.00 10.32 C +ATOM 552 C LYS A 70 27.072 7.225 23.885 1.00 10.79 C +ATOM 553 O LYS A 70 27.280 8.034 24.803 1.00 11.72 O +ATOM 554 CB LYS A 70 24.771 6.462 23.446 1.00 11.58 C +ATOM 555 CG LYS A 70 23.490 6.774 22.714 1.00 14.35 C +ATOM 556 CD LYS A 70 22.385 5.912 23.358 1.00 17.02 C +ATOM 557 CE LYS A 70 21.036 6.277 22.772 1.00 19.60 C +ATOM 558 NZ LYS A 70 19.936 5.271 23.171 1.00 21.60 N +ATOM 559 N THR A 71 27.912 6.218 23.696 1.00 10.46 N +ATOM 560 CA THR A 71 29.090 5.952 24.525 1.00 10.55 C +ATOM 561 C THR A 71 30.134 7.062 24.330 1.00 10.16 C +ATOM 562 O THR A 71 30.717 7.489 25.330 1.00 10.20 O +ATOM 563 CB THR A 71 29.671 4.487 24.352 1.00 10.19 C +ATOM 564 OG1 THR A 71 28.594 3.530 24.517 1.00 9.78 O +ATOM 565 CG2 THR A 71 30.820 4.218 25.331 1.00 10.42 C +ATOM 566 N ILE A 72 30.325 7.459 23.070 1.00 9.46 N +ATOM 567 CA ILE A 72 31.273 8.514 22.765 1.00 10.09 C +ATOM 568 C ILE A 72 30.775 9.833 23.380 1.00 10.09 C +ATOM 569 O ILE A 72 31.630 10.512 23.999 1.00 10.23 O +ATOM 570 CB ILE A 72 31.434 8.706 21.218 1.00 9.57 C +ATOM 571 CG1 ILE A 72 32.216 7.544 20.608 1.00 9.90 C +ATOM 572 CG2 ILE A 72 32.070 10.115 20.922 1.00 10.08 C +ATOM 573 CD1 ILE A 72 32.178 7.461 19.056 1.00 9.00 C +ATOM 574 N ARG A 73 29.502 10.137 23.271 1.00 11.04 N +ATOM 575 CA ARG A 73 28.941 11.406 23.792 1.00 11.85 C +ATOM 576 C ARG A 73 28.970 11.466 25.316 1.00 13.61 C +ATOM 577 O ARG A 73 29.039 12.580 25.874 1.00 13.97 O +ATOM 578 CB ARG A 73 27.540 11.668 23.235 1.00 11.22 C +ATOM 579 CG ARG A 73 27.584 12.014 21.740 1.00 10.74 C +ATOM 580 CD ARG A 73 28.079 13.416 21.520 1.00 10.25 C +ATOM 581 NE ARG A 73 28.139 13.632 20.017 1.00 9.78 N +ATOM 582 CZ ARG A 73 29.242 13.490 19.288 1.00 9.06 C +ATOM 583 NH1 ARG A 73 30.427 13.226 19.883 1.00 8.98 N +ATOM 584 NH2 ARG A 73 29.264 13.635 17.980 1.00 9.00 N +ATOM 585 N ALA A 74 28.916 10.312 25.973 1.00 14.22 N +ATOM 586 CA ALA A 74 28.966 10.261 27.456 1.00 15.60 C +ATOM 587 C ALA A 74 30.392 10.283 27.990 1.00 16.57 C +ATOM 588 O ALA A 74 30.513 10.540 29.193 1.00 18.66 O +ATOM 589 CB ALA A 74 28.283 9.011 27.971 1.00 15.42 C +ATOM 590 N ASP A 75 31.404 10.066 27.267 1.00 16.61 N +ATOM 591 CA ASP A 75 32.796 9.988 27.646 1.00 18.81 C +ATOM 592 C ASP A 75 33.303 11.406 27.763 1.00 21.22 C +ATOM 593 O ASP A 75 33.240 12.171 26.773 1.00 22.05 O +ATOM 594 CB ASP A 75 33.668 9.213 26.673 1.00 18.48 C +ATOM 595 CG ASP A 75 35.104 9.099 27.094 1.00 19.24 C +ATOM 596 OD1 ASP A 75 35.919 10.026 27.184 1.00 19.95 O +ATOM 597 OD2 ASP A 75 35.526 7.951 27.370 1.00 18.88 O +ATOM 598 N GLY A 76 33.879 11.647 28.917 1.00 23.04 N +ATOM 599 CA GLY A 76 34.415 13.024 29.080 1.00 24.45 C +ATOM 600 C GLY A 76 35.474 13.461 28.063 1.00 25.23 C +ATOM 601 O GLY A 76 35.384 14.615 27.509 1.00 27.35 O +ATOM 602 N ALA A 77 36.458 12.611 27.818 1.00 23.99 N +ATOM 603 CA ALA A 77 37.496 12.997 26.889 1.00 23.48 C +ATOM 604 C ALA A 77 37.030 13.085 25.459 1.00 23.60 C +ATOM 605 O ALA A 77 37.563 13.995 24.780 1.00 25.09 O +ATOM 606 CB ALA A 77 38.697 12.057 27.020 1.00 23.93 C +ATOM 607 N MET A 78 36.172 12.282 24.934 1.00 22.38 N +ATOM 608 CA MET A 78 35.767 12.334 23.531 1.00 22.02 C +ATOM 609 C MET A 78 34.415 12.898 23.277 1.00 20.03 C +ATOM 610 O MET A 78 34.045 12.684 22.128 1.00 19.71 O +ATOM 611 CB MET A 78 35.530 10.854 23.133 1.00 24.54 C +ATOM 612 CG MET A 78 36.723 10.053 23.619 1.00 27.78 C +ATOM 613 SD MET A 78 36.472 8.406 22.894 1.00 31.05 S +ATOM 614 CE MET A 78 35.922 7.333 24.214 1.00 29.72 C +ATOM 615 N SER A 79 33.721 13.428 24.236 1.00 18.93 N +ATOM 616 CA SER A 79 32.348 13.830 23.987 1.00 18.70 C +ATOM 617 C SER A 79 32.155 14.759 22.811 1.00 17.61 C +ATOM 618 O SER A 79 30.981 14.746 22.414 1.00 18.76 O +ATOM 619 CB SER A 79 31.628 14.371 25.205 1.00 18.86 C +ATOM 620 OG SER A 79 32.326 15.572 25.531 1.00 21.24 O +ATOM 621 N ALA A 80 33.138 15.444 22.324 1.00 16.54 N +ATOM 622 CA ALA A 80 32.904 16.357 21.214 1.00 16.71 C +ATOM 623 C ALA A 80 33.317 15.765 19.866 1.00 16.14 C +ATOM 624 O ALA A 80 33.183 16.450 18.813 1.00 16.75 O +ATOM 625 CB ALA A 80 33.768 17.618 21.533 1.00 17.01 C +ATOM 626 N LEU A 81 33.858 14.547 19.842 1.00 13.99 N +ATOM 627 CA LEU A 81 34.280 14.026 18.537 1.00 13.26 C +ATOM 628 C LEU A 81 33.151 13.992 17.500 1.00 11.66 C +ATOM 629 O LEU A 81 32.079 13.374 17.823 1.00 11.39 O +ATOM 630 CB LEU A 81 34.685 12.602 18.918 1.00 15.02 C +ATOM 631 CG LEU A 81 35.737 11.885 18.160 1.00 16.71 C +ATOM 632 CD1 LEU A 81 37.006 12.710 18.102 1.00 17.47 C +ATOM 633 CD2 LEU A 81 36.028 10.669 19.061 1.00 16.89 C +ATOM 634 N PRO A 82 33.402 14.490 16.312 1.00 10.45 N +ATOM 635 CA PRO A 82 32.378 14.433 15.241 1.00 9.79 C +ATOM 636 C PRO A 82 32.116 12.951 14.861 1.00 8.99 C +ATOM 637 O PRO A 82 33.070 12.138 14.777 1.00 8.28 O +ATOM 638 CB PRO A 82 32.967 15.117 14.019 1.00 10.59 C +ATOM 639 CG PRO A 82 34.104 15.864 14.632 1.00 11.69 C +ATOM 640 CD PRO A 82 34.603 15.209 15.923 1.00 10.45 C +ATOM 641 N VAL A 83 30.834 12.648 14.720 1.00 7.67 N +ATOM 642 CA VAL A 83 30.413 11.263 14.328 1.00 7.28 C +ATOM 643 C VAL A 83 29.491 11.346 13.119 1.00 6.94 C +ATOM 644 O VAL A 83 28.431 12.024 13.254 1.00 7.09 O +ATOM 645 CB VAL A 83 29.712 10.498 15.447 1.00 6.68 C +ATOM 646 CG1 VAL A 83 29.235 9.151 14.938 1.00 7.21 C +ATOM 647 CG2 VAL A 83 30.640 10.345 16.641 1.00 6.57 C +ATOM 648 N LEU A 84 29.882 10.725 12.031 1.00 6.44 N +ATOM 649 CA LEU A 84 29.014 10.711 10.844 1.00 7.01 C +ATOM 650 C LEU A 84 28.466 9.248 10.782 1.00 7.07 C +ATOM 651 O LEU A 84 29.268 8.298 10.782 1.00 6.80 O +ATOM 652 CB LEU A 84 29.811 11.027 9.577 1.00 7.33 C +ATOM 653 CG LEU A 84 29.060 10.716 8.280 1.00 7.52 C +ATOM 654 CD1 LEU A 84 27.884 11.657 8.073 1.00 7.31 C +ATOM 655 CD2 LEU A 84 30.077 10.793 7.136 1.00 7.99 C +ATOM 656 N MET A 85 27.177 9.196 10.824 1.00 6.76 N +ATOM 657 CA MET A 85 26.454 7.897 10.823 1.00 7.80 C +ATOM 658 C MET A 85 26.181 7.489 9.372 1.00 8.21 C +ATOM 659 O MET A 85 25.660 8.324 8.595 1.00 8.19 O +ATOM 660 CB MET A 85 25.156 8.008 11.635 1.00 7.78 C +ATOM 661 CG AMET A 85 24.593 6.610 11.830 0.70 8.99 C +ATOM 662 CG BMET A 85 25.395 8.203 13.120 0.30 8.28 C +ATOM 663 SD AMET A 85 25.457 5.756 13.215 0.70 9.83 S +ATOM 664 SD BMET A 85 25.068 6.896 14.377 0.30 9.87 S +ATOM 665 CE AMET A 85 26.252 7.191 13.978 0.70 8.90 C +ATOM 666 CE BMET A 85 26.195 5.632 13.785 0.30 9.22 C +ATOM 667 N VAL A 86 26.453 6.253 9.029 1.00 8.32 N +ATOM 668 CA VAL A 86 26.201 5.679 7.693 1.00 7.46 C +ATOM 669 C VAL A 86 25.054 4.634 7.821 1.00 8.03 C +ATOM 670 O VAL A 86 25.146 3.832 8.758 1.00 7.66 O +ATOM 671 CB VAL A 86 27.471 5.042 7.082 1.00 7.39 C +ATOM 672 CG1 VAL A 86 27.219 4.440 5.701 1.00 6.81 C +ATOM 673 CG2 VAL A 86 28.599 6.070 7.134 1.00 6.13 C +ATOM 674 N THR A 87 24.156 4.731 6.867 1.00 7.43 N +ATOM 675 CA THR A 87 23.034 3.754 6.917 1.00 9.34 C +ATOM 676 C THR A 87 22.658 3.286 5.495 1.00 10.52 C +ATOM 677 O THR A 87 22.918 3.990 4.532 1.00 9.78 O +ATOM 678 CB THR A 87 21.796 4.419 7.626 1.00 9.90 C +ATOM 679 OG1 THR A 87 20.843 3.326 7.752 1.00 10.63 O +ATOM 680 CG2 THR A 87 21.199 5.550 6.729 1.00 10.32 C +ATOM 681 N ALA A 88 22.081 2.084 5.389 1.00 11.31 N +ATOM 682 CA ALA A 88 21.651 1.535 4.103 1.00 12.71 C +ATOM 683 C ALA A 88 20.289 2.152 3.707 1.00 14.33 C +ATOM 684 O ALA A 88 19.923 2.184 2.516 1.00 13.73 O +ATOM 685 CB ALA A 88 21.559 0.018 4.161 1.00 12.51 C +ATOM 686 N GLU A 89 19.557 2.631 4.676 1.00 16.74 N +ATOM 687 CA GLU A 89 18.256 3.232 4.304 1.00 20.18 C +ATOM 688 C GLU A 89 17.839 4.225 5.345 1.00 19.91 C +ATOM 689 O GLU A 89 17.866 3.852 6.558 1.00 20.18 O +ATOM 690 CB GLU A 89 17.285 2.075 4.257 1.00 24.57 C +ATOM 691 CG GLU A 89 15.827 2.277 3.823 1.00 30.01 C +ATOM 692 CD GLU A 89 14.941 1.044 4.077 1.00 33.40 C +ATOM 693 OE1 GLU A 89 15.342 0.330 5.074 1.00 34.97 O +ATOM 694 OE2 GLU A 89 13.934 0.751 3.374 1.00 35.86 O +ATOM 695 N ALA A 90 17.467 5.396 4.880 1.00 19.31 N +ATOM 696 CA ALA A 90 17.033 6.429 5.834 1.00 19.72 C +ATOM 697 C ALA A 90 15.637 6.134 6.401 1.00 19.51 C +ATOM 698 O ALA A 90 14.762 5.723 5.599 1.00 21.09 O +ATOM 699 CB ALA A 90 17.028 7.757 5.077 1.00 19.90 C +ATOM 700 N LYS A 91 15.418 6.298 7.677 1.00 18.12 N +ATOM 701 CA LYS A 91 14.116 6.101 8.296 1.00 17.62 C +ATOM 702 C LYS A 91 14.018 7.299 9.256 1.00 16.60 C +ATOM 703 O LYS A 91 14.956 7.453 10.028 1.00 15.03 O +ATOM 704 CB LYS A 91 13.854 4.880 9.165 1.00 19.56 C +ATOM 705 CG LYS A 91 14.230 3.620 8.415 1.00 22.28 C +ATOM 706 CD LYS A 91 14.013 2.307 9.188 1.00 24.62 C +ATOM 707 CE LYS A 91 14.401 1.180 8.204 1.00 26.10 C +ATOM 708 NZ LYS A 91 14.808 -0.143 8.710 1.00 26.76 N +ATOM 709 N LYS A 92 12.914 8.000 9.175 1.00 15.72 N +ATOM 710 CA LYS A 92 12.736 9.158 10.050 1.00 16.30 C +ATOM 711 C LYS A 92 13.114 8.919 11.517 1.00 15.20 C +ATOM 712 O LYS A 92 13.796 9.749 12.145 1.00 14.39 O +ATOM 713 CB LYS A 92 11.226 9.475 9.930 1.00 17.32 C +ATOM 714 CG LYS A 92 10.833 10.539 10.946 1.00 19.42 C +ATOM 715 CD LYS A 92 9.330 10.804 10.866 1.00 21.22 C +ATOM 716 CE LYS A 92 9.036 12.295 10.904 1.00 23.35 C +ATOM 717 NZ LYS A 92 8.020 12.665 11.967 1.00 25.31 N +ATOM 718 N GLU A 93 12.639 7.796 12.068 1.00 15.02 N +ATOM 719 CA GLU A 93 12.939 7.544 13.491 1.00 15.84 C +ATOM 720 C GLU A 93 14.427 7.355 13.743 1.00 13.02 C +ATOM 721 O GLU A 93 14.817 7.763 14.813 1.00 11.49 O +ATOM 722 CB GLU A 93 12.316 6.241 14.042 1.00 19.30 C +ATOM 723 CG GLU A 93 10.821 6.311 13.809 1.00 24.64 C +ATOM 724 CD GLU A 93 10.361 6.098 12.387 1.00 28.46 C +ATOM 725 OE1 GLU A 93 11.030 5.586 11.414 1.00 30.24 O +ATOM 726 OE2 GLU A 93 9.170 6.426 12.136 1.00 31.12 O +ATOM 727 N ASN A 94 15.071 6.695 12.784 1.00 11.42 N +ATOM 728 CA ASN A 94 16.507 6.453 12.916 1.00 11.42 C +ATOM 729 C ASN A 94 17.280 7.793 12.913 1.00 10.83 C +ATOM 730 O ASN A 94 18.175 7.957 13.766 1.00 10.44 O +ATOM 731 CB ASN A 94 16.982 5.567 11.769 1.00 11.44 C +ATOM 732 CG ASN A 94 16.584 4.098 11.917 1.00 12.08 C +ATOM 733 OD1 ASN A 94 15.897 3.726 12.898 1.00 13.59 O +ATOM 734 ND2 ASN A 94 17.013 3.330 10.962 1.00 11.57 N +ATOM 735 N ILE A 95 16.880 8.670 11.992 1.00 10.60 N +ATOM 736 CA ILE A 95 17.505 10.019 11.844 1.00 9.93 C +ATOM 737 C ILE A 95 17.314 10.847 13.133 1.00 9.87 C +ATOM 738 O ILE A 95 18.317 11.396 13.652 1.00 10.22 O +ATOM 739 CB ILE A 95 16.895 10.731 10.618 1.00 10.58 C +ATOM 740 CG1 ILE A 95 17.312 9.981 9.314 1.00 10.60 C +ATOM 741 CG2 ILE A 95 17.386 12.224 10.526 1.00 10.53 C +ATOM 742 CD1 ILE A 95 16.412 10.475 8.138 1.00 12.03 C +ATOM 743 N ILE A 96 16.111 10.817 13.651 1.00 9.22 N +ATOM 744 CA ILE A 96 15.883 11.572 14.942 1.00 10.41 C +ATOM 745 C ILE A 96 16.639 10.938 16.108 1.00 10.04 C +ATOM 746 O ILE A 96 17.268 11.715 16.876 1.00 9.97 O +ATOM 747 CB ILE A 96 14.340 11.644 15.196 1.00 11.51 C +ATOM 748 CG1 ILE A 96 13.728 12.430 13.976 1.00 12.85 C +ATOM 749 CG2 ILE A 96 14.007 12.181 16.593 1.00 11.80 C +ATOM 750 CD1 ILE A 96 12.158 12.321 14.018 1.00 13.17 C +ATOM 751 N ALA A 97 16.566 9.597 16.226 1.00 8.69 N +ATOM 752 CA ALA A 97 17.298 8.962 17.327 1.00 8.70 C +ATOM 753 C ALA A 97 18.774 9.298 17.207 1.00 8.32 C +ATOM 754 O ALA A 97 19.402 9.658 18.235 1.00 8.84 O +ATOM 755 CB ALA A 97 17.146 7.412 17.258 1.00 8.44 C +ATOM 756 N ALA A 98 19.375 9.208 16.028 1.00 8.40 N +ATOM 757 CA ALA A 98 20.792 9.548 15.924 1.00 8.34 C +ATOM 758 C ALA A 98 21.058 11.040 16.252 1.00 8.48 C +ATOM 759 O ALA A 98 22.019 11.369 16.944 1.00 7.81 O +ATOM 760 CB ALA A 98 21.223 9.237 14.503 1.00 8.57 C +ATOM 761 N ALA A 99 20.256 11.930 15.721 1.00 8.48 N +ATOM 762 CA ALA A 99 20.455 13.373 15.977 1.00 9.09 C +ATOM 763 C ALA A 99 20.370 13.724 17.476 1.00 9.42 C +ATOM 764 O ALA A 99 21.255 14.448 17.993 1.00 9.07 O +ATOM 765 CB ALA A 99 19.374 14.124 15.168 1.00 9.36 C +ATOM 766 N GLN A 100 19.309 13.173 18.072 1.00 10.64 N +ATOM 767 CA GLN A 100 19.086 13.446 19.513 1.00 12.11 C +ATOM 768 C GLN A 100 20.214 12.833 20.355 1.00 12.28 C +ATOM 769 O GLN A 100 20.523 13.388 21.444 1.00 13.30 O +ATOM 770 CB GLN A 100 17.737 13.019 20.032 1.00 13.43 C +ATOM 771 CG GLN A 100 16.612 13.781 19.395 1.00 14.57 C +ATOM 772 CD GLN A 100 15.290 13.347 19.975 1.00 16.02 C +ATOM 773 OE1 GLN A 100 15.141 12.236 20.465 1.00 16.78 O +ATOM 774 NE2 GLN A 100 14.288 14.207 19.868 1.00 15.92 N +ATOM 775 N ALA A 101 20.803 11.735 19.892 1.00 10.31 N +ATOM 776 CA ALA A 101 21.935 11.165 20.645 1.00 10.07 C +ATOM 777 C ALA A 101 23.258 11.878 20.359 1.00 10.53 C +ATOM 778 O ALA A 101 24.294 11.471 20.961 1.00 11.57 O +ATOM 779 CB ALA A 101 22.008 9.672 20.391 1.00 10.07 C +ATOM 780 N GLY A 102 23.302 12.888 19.434 1.00 9.82 N +ATOM 781 CA GLY A 102 24.604 13.559 19.226 1.00 9.13 C +ATOM 782 C GLY A 102 25.294 13.413 17.883 1.00 8.91 C +ATOM 783 O GLY A 102 26.436 13.918 17.765 1.00 8.61 O +ATOM 784 N ALA A 103 24.707 12.715 16.941 1.00 8.92 N +ATOM 785 CA ALA A 103 25.343 12.484 15.626 1.00 8.67 C +ATOM 786 C ALA A 103 25.588 13.829 14.937 1.00 8.95 C +ATOM 787 O ALA A 103 24.666 14.688 14.993 1.00 9.51 O +ATOM 788 CB ALA A 103 24.449 11.688 14.669 1.00 8.82 C +ATOM 789 N SER A 104 26.740 13.952 14.352 1.00 8.53 N +ATOM 790 CA SER A 104 27.087 15.187 13.619 1.00 8.77 C +ATOM 791 C SER A 104 26.380 15.218 12.260 1.00 8.76 C +ATOM 792 O SER A 104 26.112 16.337 11.757 1.00 8.47 O +ATOM 793 CB SER A 104 28.588 15.306 13.443 1.00 9.32 C +ATOM 794 OG SER A 104 29.218 15.022 14.682 1.00 9.66 O +ATOM 795 N GLY A 105 26.078 14.086 11.652 1.00 7.70 N +ATOM 796 CA GLY A 105 25.382 14.046 10.337 1.00 7.43 C +ATOM 797 C GLY A 105 25.113 12.523 10.086 1.00 8.60 C +ATOM 798 O GLY A 105 25.485 11.656 10.909 1.00 7.83 O +ATOM 799 N TYR A 106 24.447 12.337 8.976 1.00 9.59 N +ATOM 800 CA TYR A 106 24.071 10.948 8.560 1.00 11.49 C +ATOM 801 C TYR A 106 24.075 10.997 7.041 1.00 12.45 C +ATOM 802 O TYR A 106 23.737 12.036 6.407 1.00 12.38 O +ATOM 803 CB TYR A 106 22.733 10.726 9.199 1.00 12.74 C +ATOM 804 CG ATYR A 106 21.618 11.205 8.279 0.50 12.40 C +ATOM 805 CG BTYR A 106 21.750 9.607 9.237 0.50 12.77 C +ATOM 806 CD1ATYR A 106 21.187 10.559 7.112 0.50 12.39 C +ATOM 807 CD1BTYR A 106 21.034 9.384 8.035 0.50 12.69 C +ATOM 808 CD2ATYR A 106 20.997 12.383 8.693 0.50 12.90 C +ATOM 809 CD2BTYR A 106 21.454 8.815 10.351 0.50 12.64 C +ATOM 810 CE1ATYR A 106 20.144 11.084 6.299 0.50 12.33 C +ATOM 811 CE1BTYR A 106 20.077 8.373 7.956 0.50 13.01 C +ATOM 812 CE2ATYR A 106 19.958 12.934 7.931 0.50 12.83 C +ATOM 813 CE2BTYR A 106 20.511 7.785 10.281 0.50 12.86 C +ATOM 814 CZ ATYR A 106 19.577 12.288 6.765 0.50 12.78 C +ATOM 815 CZ BTYR A 106 19.826 7.589 9.086 0.50 12.99 C +ATOM 816 OH ATYR A 106 18.565 12.932 6.170 0.50 12.78 O +ATOM 817 OH BTYR A 106 18.834 6.641 8.873 0.50 13.66 O +ATOM 818 N VAL A 107 24.445 9.854 6.432 1.00 12.05 N +ATOM 819 CA VAL A 107 24.577 9.675 4.999 1.00 10.96 C +ATOM 820 C VAL A 107 24.059 8.270 4.629 1.00 10.96 C +ATOM 821 O VAL A 107 24.289 7.345 5.424 1.00 10.58 O +ATOM 822 CB VAL A 107 26.018 9.947 4.540 1.00 11.31 C +ATOM 823 CG1 VAL A 107 27.015 8.934 5.066 1.00 11.58 C +ATOM 824 CG2 VAL A 107 26.160 9.954 2.997 1.00 12.35 C +ATOM 825 N VAL A 108 23.413 8.184 3.453 1.00 9.45 N +ATOM 826 CA VAL A 108 22.876 6.865 3.039 1.00 8.50 C +ATOM 827 C VAL A 108 23.880 6.352 2.040 1.00 9.25 C +ATOM 828 O VAL A 108 24.335 7.132 1.146 1.00 11.39 O +ATOM 829 CB VAL A 108 21.519 7.017 2.377 1.00 8.72 C +ATOM 830 CG1 VAL A 108 21.017 5.792 1.655 1.00 8.83 C +ATOM 831 CG2 VAL A 108 20.476 7.522 3.363 1.00 9.30 C +ATOM 832 N LYS A 109 24.219 5.100 2.225 1.00 8.86 N +ATOM 833 CA LYS A 109 25.156 4.401 1.313 1.00 9.34 C +ATOM 834 C LYS A 109 24.337 3.685 0.216 1.00 9.64 C +ATOM 835 O LYS A 109 23.129 3.333 0.380 1.00 9.72 O +ATOM 836 CB LYS A 109 26.032 3.467 2.192 1.00 10.09 C +ATOM 837 CG LYS A 109 25.203 2.328 2.757 1.00 11.17 C +ATOM 838 CD LYS A 109 26.051 1.421 3.666 1.00 12.23 C +ATOM 839 CE LYS A 109 25.184 0.397 4.370 1.00 12.51 C +ATOM 840 NZ LYS A 109 26.083 -0.315 5.339 1.00 11.34 N +ATOM 841 N PRO A 110 24.885 3.493 -0.970 1.00 9.34 N +ATOM 842 CA PRO A 110 26.216 3.868 -1.426 1.00 9.03 C +ATOM 843 C PRO A 110 26.317 5.356 -1.715 1.00 8.69 C +ATOM 844 O PRO A 110 25.312 5.973 -2.095 1.00 9.40 O +ATOM 845 CB PRO A 110 26.350 3.082 -2.734 1.00 9.66 C +ATOM 846 CG PRO A 110 24.951 2.766 -3.218 1.00 9.02 C +ATOM 847 CD PRO A 110 24.078 2.810 -2.005 1.00 9.27 C +ATOM 848 N PHE A 111 27.491 5.923 -1.562 1.00 8.51 N +ATOM 849 CA PHE A 111 27.723 7.352 -1.804 1.00 9.63 C +ATOM 850 C PHE A 111 29.048 7.516 -2.533 1.00 10.00 C +ATOM 851 O PHE A 111 29.906 6.619 -2.480 1.00 10.06 O +ATOM 852 CB PHE A 111 27.604 8.227 -0.541 1.00 9.69 C +ATOM 853 CG PHE A 111 28.476 7.761 0.582 1.00 10.64 C +ATOM 854 CD1 PHE A 111 29.848 8.021 0.590 1.00 11.97 C +ATOM 855 CD2 PHE A 111 27.975 7.053 1.676 1.00 11.51 C +ATOM 856 CE1 PHE A 111 30.689 7.602 1.629 1.00 12.03 C +ATOM 857 CE2 PHE A 111 28.805 6.569 2.727 1.00 11.43 C +ATOM 858 CZ PHE A 111 30.188 6.849 2.683 1.00 11.72 C +ATOM 859 N THR A 112 29.184 8.632 -3.157 1.00 10.53 N +ATOM 860 CA THR A 112 30.360 9.032 -3.940 1.00 11.19 C +ATOM 861 C THR A 112 31.255 9.987 -3.166 1.00 12.10 C +ATOM 862 O THR A 112 30.894 10.429 -2.040 1.00 11.59 O +ATOM 863 CB THR A 112 29.825 9.742 -5.259 1.00 12.06 C +ATOM 864 OG1 THR A 112 29.216 10.966 -4.690 1.00 12.39 O +ATOM 865 CG2 THR A 112 28.879 8.902 -6.147 1.00 12.26 C +ATOM 866 N ALA A 113 32.436 10.259 -3.751 1.00 12.50 N +ATOM 867 CA ALA A 113 33.347 11.198 -3.055 1.00 12.25 C +ATOM 868 C ALA A 113 32.704 12.573 -2.872 1.00 12.02 C +ATOM 869 O ALA A 113 32.800 13.201 -1.800 1.00 11.76 O +ATOM 870 CB ALA A 113 34.612 11.365 -3.864 1.00 12.97 C +ATOM 871 N ALA A 114 32.020 13.057 -3.879 1.00 11.26 N +ATOM 872 CA ALA A 114 31.404 14.377 -3.800 1.00 11.18 C +ATOM 873 C ALA A 114 30.399 14.456 -2.664 1.00 10.55 C +ATOM 874 O ALA A 114 30.346 15.504 -2.029 1.00 11.16 O +ATOM 875 CB ALA A 114 30.791 14.706 -5.173 1.00 11.78 C +ATOM 876 N THR A 115 29.619 13.396 -2.500 1.00 10.52 N +ATOM 877 CA THR A 115 28.582 13.391 -1.467 1.00 10.31 C +ATOM 878 C THR A 115 29.288 13.358 -0.085 1.00 10.56 C +ATOM 879 O THR A 115 28.871 14.081 0.843 1.00 10.17 O +ATOM 880 CB THR A 115 27.567 12.198 -1.559 1.00 10.41 C +ATOM 881 OG1 THR A 115 26.891 12.333 -2.847 1.00 11.14 O +ATOM 882 CG2 THR A 115 26.722 12.065 -0.287 1.00 10.52 C +ATOM 883 N LEU A 116 30.342 12.550 0.005 1.00 8.68 N +ATOM 884 CA LEU A 116 31.042 12.508 1.312 1.00 9.41 C +ATOM 885 C LEU A 116 31.648 13.879 1.635 1.00 10.65 C +ATOM 886 O LEU A 116 31.647 14.341 2.794 1.00 9.83 O +ATOM 887 CB LEU A 116 32.149 11.409 1.275 1.00 9.23 C +ATOM 888 CG LEU A 116 33.020 11.243 2.526 1.00 9.44 C +ATOM 889 CD1 LEU A 116 32.186 10.770 3.731 1.00 8.66 C +ATOM 890 CD2 LEU A 116 34.070 10.132 2.308 1.00 9.77 C +ATOM 891 N GLU A 117 32.202 14.520 0.561 1.00 11.61 N +ATOM 892 CA GLU A 117 32.856 15.808 0.769 1.00 13.47 C +ATOM 893 C GLU A 117 31.881 16.853 1.285 1.00 13.23 C +ATOM 894 O GLU A 117 32.180 17.670 2.148 1.00 13.80 O +ATOM 895 CB GLU A 117 33.398 16.328 -0.553 1.00 15.06 C +ATOM 896 CG GLU A 117 34.047 17.696 -0.370 1.00 18.22 C +ATOM 897 CD GLU A 117 34.612 18.088 -1.703 1.00 20.14 C +ATOM 898 OE1 GLU A 117 34.016 17.903 -2.754 1.00 21.11 O +ATOM 899 OE2 GLU A 117 35.757 18.571 -1.548 1.00 22.58 O +ATOM 900 N GLU A 118 30.714 16.736 0.732 1.00 13.84 N +ATOM 901 CA GLU A 118 29.605 17.588 1.072 1.00 15.73 C +ATOM 902 C GLU A 118 29.205 17.388 2.512 1.00 14.28 C +ATOM 903 O GLU A 118 28.988 18.393 3.220 1.00 13.90 O +ATOM 904 CB GLU A 118 28.361 17.164 0.306 1.00 19.43 C +ATOM 905 CG GLU A 118 27.372 18.352 0.293 1.00 25.64 C +ATOM 906 CD GLU A 118 26.138 17.858 -0.451 1.00 29.47 C +ATOM 907 OE1 GLU A 118 26.220 17.465 -1.633 1.00 31.91 O +ATOM 908 OE2 GLU A 118 25.205 17.864 0.410 1.00 32.08 O +ATOM 909 N LYS A 119 29.112 16.170 2.931 1.00 13.26 N +ATOM 910 CA LYS A 119 28.739 15.856 4.301 1.00 13.63 C +ATOM 911 C LYS A 119 29.837 16.373 5.241 1.00 13.08 C +ATOM 912 O LYS A 119 29.481 16.972 6.273 1.00 13.40 O +ATOM 913 CB LYS A 119 28.603 14.358 4.634 1.00 15.44 C +ATOM 914 CG LYS A 119 27.543 13.567 3.902 1.00 17.25 C +ATOM 915 CD LYS A 119 26.207 14.289 3.892 1.00 19.03 C +ATOM 916 CE LYS A 119 25.716 14.347 5.343 1.00 20.29 C +ATOM 917 NZ LYS A 119 24.229 14.628 5.218 1.00 21.84 N +ATOM 918 N LEU A 120 31.088 16.119 4.924 1.00 11.15 N +ATOM 919 CA LEU A 120 32.181 16.552 5.780 1.00 11.79 C +ATOM 920 C LEU A 120 32.194 18.073 5.884 1.00 12.46 C +ATOM 921 O LEU A 120 32.384 18.555 7.024 1.00 11.99 O +ATOM 922 CB LEU A 120 33.542 16.083 5.200 1.00 12.00 C +ATOM 923 CG LEU A 120 33.742 14.586 5.187 1.00 12.42 C +ATOM 924 CD1 LEU A 120 35.169 14.304 4.736 1.00 12.25 C +ATOM 925 CD2 LEU A 120 33.500 14.009 6.574 1.00 12.93 C +ATOM 926 N ASN A 121 32.086 18.744 4.731 1.00 13.52 N +ATOM 927 CA ASN A 121 32.096 20.222 4.803 1.00 14.63 C +ATOM 928 C ASN A 121 30.973 20.816 5.677 1.00 15.00 C +ATOM 929 O ASN A 121 31.186 21.802 6.436 1.00 13.92 O +ATOM 930 CB ASN A 121 31.965 20.657 3.350 1.00 16.52 C +ATOM 931 CG ASN A 121 33.363 20.590 2.759 1.00 18.59 C +ATOM 932 OD1 ASN A 121 34.428 20.485 3.405 1.00 20.58 O +ATOM 933 ND2 ASN A 121 33.417 20.692 1.454 1.00 19.22 N +ATOM 934 N LYS A 122 29.789 20.219 5.556 1.00 15.39 N +ATOM 935 CA LYS A 122 28.602 20.659 6.335 1.00 17.03 C +ATOM 936 C LYS A 122 28.847 20.454 7.814 1.00 15.93 C +ATOM 937 O LYS A 122 28.548 21.334 8.669 1.00 15.77 O +ATOM 938 CB LYS A 122 27.342 19.992 5.808 1.00 20.20 C +ATOM 939 CG LYS A 122 26.077 20.248 6.643 1.00 23.80 C +ATOM 940 CD LYS A 122 24.725 19.944 6.003 1.00 26.00 C +ATOM 941 CE LYS A 122 23.592 19.730 7.042 1.00 27.53 C +ATOM 942 NZ LYS A 122 22.414 18.991 6.375 1.00 29.14 N +ATOM 943 N ILE A 123 29.518 19.342 8.208 1.00 13.86 N +ATOM 944 CA ILE A 123 29.836 19.118 9.608 1.00 12.61 C +ATOM 945 C ILE A 123 30.899 20.078 10.089 1.00 12.96 C +ATOM 946 O ILE A 123 30.764 20.653 11.175 1.00 13.40 O +ATOM 947 CB ILE A 123 30.269 17.612 9.815 1.00 11.61 C +ATOM 948 CG1 ILE A 123 28.971 16.789 9.683 1.00 11.75 C +ATOM 949 CG2 ILE A 123 31.057 17.411 11.108 1.00 11.99 C +ATOM 950 CD1 ILE A 123 29.258 15.243 9.569 1.00 11.56 C +ATOM 951 N PHE A 124 31.925 20.248 9.298 1.00 13.51 N +ATOM 952 CA PHE A 124 33.045 21.152 9.650 1.00 15.07 C +ATOM 953 C PHE A 124 32.452 22.557 9.908 1.00 16.19 C +ATOM 954 O PHE A 124 32.782 23.243 10.886 1.00 16.51 O +ATOM 955 CB PHE A 124 34.165 21.206 8.625 1.00 15.15 C +ATOM 956 CG PHE A 124 34.958 19.947 8.414 1.00 15.33 C +ATOM 957 CD1 PHE A 124 35.202 19.044 9.466 1.00 15.57 C +ATOM 958 CD2 PHE A 124 35.429 19.681 7.120 1.00 15.83 C +ATOM 959 CE1 PHE A 124 35.937 17.845 9.194 1.00 15.87 C +ATOM 960 CE2 PHE A 124 36.143 18.509 6.832 1.00 15.43 C +ATOM 961 CZ PHE A 124 36.391 17.646 7.872 1.00 15.16 C +ATOM 962 N GLU A 125 31.593 22.968 9.002 1.00 17.29 N +ATOM 963 CA GLU A 125 30.917 24.274 9.124 1.00 18.45 C +ATOM 964 C GLU A 125 29.976 24.326 10.348 1.00 17.83 C +ATOM 965 O GLU A 125 29.940 25.358 11.070 1.00 17.18 O +ATOM 966 CB GLU A 125 30.227 24.628 7.816 1.00 20.81 C +ATOM 967 CG GLU A 125 29.233 25.814 7.970 1.00 24.77 C +ATOM 968 CD GLU A 125 28.964 26.570 6.668 1.00 26.59 C +ATOM 969 OE1 GLU A 125 28.171 25.909 5.930 1.00 27.45 O +ATOM 970 OE2 GLU A 125 29.565 27.670 6.569 1.00 28.39 O +ATOM 971 N LYS A 126 29.196 23.279 10.622 1.00 16.87 N +ATOM 972 CA LYS A 126 28.302 23.283 11.765 1.00 16.32 C +ATOM 973 C LYS A 126 29.118 23.360 13.055 1.00 17.01 C +ATOM 974 O LYS A 126 28.822 24.079 14.079 1.00 16.18 O +ATOM 975 CB LYS A 126 27.414 22.052 11.704 1.00 16.29 C +ATOM 976 CG LYS A 126 26.386 22.156 12.792 1.00 17.26 C +ATOM 977 CD LYS A 126 25.309 21.079 12.696 1.00 18.45 C +ATOM 978 CE LYS A 126 25.906 19.675 12.686 1.00 18.60 C +ATOM 979 NZ LYS A 126 24.742 18.702 12.709 1.00 18.28 N +ATOM 980 N LEU A 127 30.247 22.638 13.085 1.00 16.89 N +ATOM 981 CA LEU A 127 31.094 22.603 14.304 1.00 18.05 C +ATOM 982 C LEU A 127 32.139 23.710 14.403 1.00 18.77 C +ATOM 983 O LEU A 127 32.860 23.696 15.448 1.00 18.41 O +ATOM 984 CB LEU A 127 31.738 21.195 14.457 1.00 17.78 C +ATOM 985 CG ALEU A 127 30.744 20.078 14.757 0.50 17.85 C +ATOM 986 CG BLEU A 127 30.772 20.042 14.247 0.50 17.53 C +ATOM 987 CD1ALEU A 127 29.779 19.832 13.600 0.50 18.24 C +ATOM 988 CD1BLEU A 127 31.468 18.679 14.359 0.50 17.43 C +ATOM 989 CD2ALEU A 127 31.520 18.778 15.046 0.50 17.75 C +ATOM 990 CD2BLEU A 127 29.680 20.134 15.306 0.50 17.33 C +ATOM 991 N GLY A 128 32.185 24.536 13.371 1.00 19.02 N +ATOM 992 CA GLY A 128 33.194 25.622 13.408 1.00 21.64 C +ATOM 993 C GLY A 128 34.620 25.111 13.212 1.00 22.82 C +ATOM 994 O GLY A 128 35.509 25.762 13.739 1.00 22.99 O +ATOM 995 N MET A 129 34.868 24.049 12.482 1.00 24.58 N +ATOM 996 CA MET A 129 36.197 23.497 12.226 1.00 26.60 C +ATOM 997 C MET A 129 36.652 23.893 10.823 1.00 28.20 C +ATOM 998 O MET A 129 37.834 23.543 10.459 1.00 30.12 O +ATOM 999 CB MET A 129 36.158 21.981 12.324 1.00 27.43 C +ATOM 1000 CG MET A 129 35.853 21.331 13.619 1.00 28.62 C +ATOM 1001 SD MET A 129 35.359 19.578 13.370 1.00 30.17 S +ATOM 1002 CE MET A 129 36.974 18.799 13.090 1.00 29.91 C +ATOM 1003 OXT MET A 129 35.903 24.524 10.052 1.00 29.02 O +TER 1004 MET A 129 +END diff --git a/bench/main_benchmark/structures/SFB_AL_CHEY_3CHYA_1FQWA/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_CHEY_3CHYA_1FQWA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cb75394ca92143063ba601d4e41ffda1a7f6b94f --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_CHEY_3CHYA_1FQWA/state_b.pdb @@ -0,0 +1,981 @@ +ATOM 1 N ALA A 2 33.817 55.106 32.799 1.00 80.30 N +ATOM 2 CA ALA A 2 33.866 53.836 33.585 1.00 80.64 C +ATOM 3 C ALA A 2 33.370 54.043 35.019 1.00 79.07 C +ATOM 4 O ALA A 2 33.431 55.155 35.549 1.00 80.08 O +ATOM 5 CB ALA A 2 35.295 53.291 33.603 1.00 80.33 C +ATOM 6 N ASP A 3 32.881 52.970 35.638 1.00 77.71 N +ATOM 7 CA ASP A 3 32.388 53.023 37.014 1.00 72.09 C +ATOM 8 C ASP A 3 33.495 53.505 37.942 1.00 63.85 C +ATOM 9 O ASP A 3 34.543 52.872 38.033 1.00 54.95 O +ATOM 10 CB ASP A 3 31.904 51.637 37.451 1.00 77.50 C +ATOM 11 CG ASP A 3 31.523 51.588 38.918 1.00 82.51 C +ATOM 12 OD1 ASP A 3 30.687 52.408 39.346 1.00 84.72 O +ATOM 13 OD2 ASP A 3 32.056 50.726 39.646 1.00 87.87 O +ATOM 14 N LYS A 4 33.259 54.623 38.628 1.00 59.44 N +ATOM 15 CA LYS A 4 34.257 55.195 39.534 1.00 61.66 C +ATOM 16 C LYS A 4 34.676 54.275 40.677 1.00 58.57 C +ATOM 17 O LYS A 4 35.696 54.504 41.331 1.00 56.79 O +ATOM 18 CB LYS A 4 33.768 56.534 40.101 1.00 64.91 C +ATOM 19 CG LYS A 4 33.428 57.555 39.024 1.00 75.99 C +ATOM 20 CD LYS A 4 34.513 57.612 37.948 1.00 81.37 C +ATOM 21 CE LYS A 4 34.100 58.511 36.800 1.00 82.45 C +ATOM 22 NZ LYS A 4 34.803 58.145 35.545 1.00 88.06 N +ATOM 23 N GLU A 5 33.892 53.236 40.922 1.00 55.91 N +ATOM 24 CA GLU A 5 34.234 52.285 41.964 1.00 56.24 C +ATOM 25 C GLU A 5 35.161 51.184 41.455 1.00 50.00 C +ATOM 26 O GLU A 5 35.637 50.359 42.241 1.00 49.19 O +ATOM 27 CB GLU A 5 32.968 51.677 42.567 1.00 59.81 C +ATOM 28 CG GLU A 5 32.284 52.613 43.551 1.00 72.75 C +ATOM 29 CD GLU A 5 33.247 53.075 44.634 1.00 78.29 C +ATOM 30 OE1 GLU A 5 33.585 54.279 44.664 1.00 84.10 O +ATOM 31 OE2 GLU A 5 33.686 52.225 45.440 1.00 81.57 O +ATOM 32 N LEU A 6 35.419 51.190 40.145 1.00 47.72 N +ATOM 33 CA LEU A 6 36.308 50.211 39.523 1.00 47.20 C +ATOM 34 C LEU A 6 37.577 50.180 40.365 1.00 46.80 C +ATOM 35 O LEU A 6 38.136 51.227 40.711 1.00 44.87 O +ATOM 36 CB LEU A 6 36.647 50.621 38.078 1.00 45.97 C +ATOM 37 CG LEU A 6 37.553 49.700 37.253 1.00 47.68 C +ATOM 38 CD1 LEU A 6 36.870 48.359 37.038 1.00 43.74 C +ATOM 39 CD2 LEU A 6 37.869 50.345 35.923 1.00 43.17 C +ATOM 40 N LYS A 7 38.037 48.982 40.689 1.00 44.16 N +ATOM 41 CA LYS A 7 39.213 48.841 41.523 1.00 42.57 C +ATOM 42 C LYS A 7 40.490 48.646 40.710 1.00 46.99 C +ATOM 43 O LYS A 7 40.573 47.752 39.864 1.00 49.91 O +ATOM 44 CB LYS A 7 38.999 47.652 42.473 1.00 45.73 C +ATOM 45 CG LYS A 7 40.031 47.487 43.563 1.00 33.55 C +ATOM 46 CD LYS A 7 39.706 46.225 44.335 1.00 48.43 C +ATOM 47 CE LYS A 7 40.606 46.039 45.535 1.00 53.29 C +ATOM 48 NZ LYS A 7 40.368 44.693 46.155 1.00 60.27 N +ATOM 49 N PHE A 8 41.481 49.485 40.990 1.00 45.52 N +ATOM 50 CA PHE A 8 42.775 49.429 40.312 1.00 41.26 C +ATOM 51 C PHE A 8 43.905 48.863 41.156 1.00 42.65 C +ATOM 52 O PHE A 8 43.921 48.999 42.382 1.00 44.73 O +ATOM 53 CB PHE A 8 43.231 50.832 39.845 1.00 35.67 C +ATOM 54 CG PHE A 8 42.452 51.384 38.687 1.00 32.69 C +ATOM 55 CD1 PHE A 8 41.127 51.773 38.839 1.00 33.66 C +ATOM 56 CD2 PHE A 8 43.047 51.500 37.437 1.00 26.16 C +ATOM 57 CE1 PHE A 8 40.413 52.285 37.765 1.00 26.77 C +ATOM 58 CE2 PHE A 8 42.357 52.004 36.360 1.00 28.00 C +ATOM 59 CZ PHE A 8 41.020 52.400 36.523 1.00 28.74 C +ATOM 60 N LEU A 9 44.854 48.241 40.469 1.00 40.23 N +ATOM 61 CA LEU A 9 46.045 47.733 41.098 1.00 35.72 C +ATOM 62 C LEU A 9 47.185 48.401 40.331 1.00 35.54 C +ATOM 63 O LEU A 9 47.330 48.233 39.125 1.00 31.29 O +ATOM 64 CB LEU A 9 46.158 46.207 40.985 1.00 40.21 C +ATOM 65 CG LEU A 9 47.417 45.683 41.692 1.00 42.89 C +ATOM 66 CD1 LEU A 9 47.351 46.067 43.192 1.00 27.96 C +ATOM 67 CD2 LEU A 9 47.548 44.188 41.525 1.00 35.54 C +ATOM 68 N VAL A 10 47.979 49.181 41.047 1.00 31.49 N +ATOM 69 CA VAL A 10 49.091 49.892 40.468 1.00 34.15 C +ATOM 70 C VAL A 10 50.373 49.182 40.884 1.00 34.97 C +ATOM 71 O VAL A 10 50.716 49.110 42.076 1.00 38.34 O +ATOM 72 CB VAL A 10 49.088 51.344 40.955 1.00 37.91 C +ATOM 73 CG1 VAL A 10 50.284 52.102 40.389 1.00 23.05 C +ATOM 74 CG2 VAL A 10 47.810 51.994 40.525 1.00 28.24 C +ATOM 75 N VAL A 11 51.068 48.657 39.880 1.00 31.56 N +ATOM 76 CA VAL A 11 52.275 47.883 40.075 1.00 26.17 C +ATOM 77 C VAL A 11 53.525 48.527 39.514 1.00 34.23 C +ATOM 78 O VAL A 11 53.628 48.801 38.312 1.00 40.57 O +ATOM 79 CB VAL A 11 52.128 46.517 39.388 1.00 31.04 C +ATOM 80 CG1 VAL A 11 53.344 45.621 39.705 1.00 16.64 C +ATOM 81 CG2 VAL A 11 50.817 45.893 39.782 1.00 24.30 C +ATOM 82 N ASP A 12 54.495 48.747 40.387 1.00 34.24 N +ATOM 83 CA ASP A 12 55.767 49.316 39.973 1.00 26.57 C +ATOM 84 C ASP A 12 56.673 49.088 41.155 1.00 29.96 C +ATOM 85 O ASP A 12 56.209 49.068 42.298 1.00 37.50 O +ATOM 86 CB ASP A 12 55.647 50.817 39.651 1.00 25.91 C +ATOM 87 CG ASP A 12 56.845 51.331 38.866 1.00 29.64 C +ATOM 88 OD1 ASP A 12 57.964 51.423 39.430 1.00 27.96 O +ATOM 89 OD2 ASP A 12 56.685 51.612 37.662 1.00 33.34 O +ATOM 90 N ASP A 13 57.958 48.893 40.900 1.00 33.00 N +ATOM 91 CA ASP A 13 58.875 48.632 41.994 1.00 36.46 C +ATOM 92 C ASP A 13 59.406 49.911 42.635 1.00 37.08 C +ATOM 93 O ASP A 13 60.159 49.846 43.597 1.00 44.09 O +ATOM 94 CB ASP A 13 60.009 47.706 41.512 1.00 31.89 C +ATOM 95 CG ASP A 13 60.752 48.252 40.302 1.00 35.05 C +ATOM 96 OD1 ASP A 13 60.120 48.871 39.437 1.00 44.48 O +ATOM 97 OD2 ASP A 13 61.971 48.028 40.192 1.00 33.51 O +ATOM 98 N PHE A 14 59.000 51.067 42.104 1.00 44.07 N +ATOM 99 CA PHE A 14 59.401 52.368 42.654 1.00 40.94 C +ATOM 100 C PHE A 14 58.191 53.196 43.075 1.00 44.72 C +ATOM 101 O PHE A 14 57.281 53.445 42.282 1.00 51.02 O +ATOM 102 CB PHE A 14 60.263 53.121 41.643 1.00 46.67 C +ATOM 103 CG PHE A 14 61.645 52.553 41.510 1.00 56.52 C +ATOM 104 CD1 PHE A 14 62.626 52.840 42.457 1.00 66.67 C +ATOM 105 CD2 PHE A 14 61.945 51.660 40.497 1.00 58.00 C +ATOM 106 CE1 PHE A 14 63.889 52.240 42.391 1.00 67.86 C +ATOM 107 CE2 PHE A 14 63.200 51.057 40.424 1.00 62.78 C +ATOM 108 CZ PHE A 14 64.171 51.347 41.374 1.00 66.15 C +ATOM 109 N SER A 15 58.191 53.598 44.344 1.00 44.64 N +ATOM 110 CA SER A 15 57.109 54.367 44.958 1.00 47.58 C +ATOM 111 C SER A 15 56.681 55.617 44.206 1.00 45.08 C +ATOM 112 O SER A 15 55.482 55.860 44.011 1.00 41.10 O +ATOM 113 CB SER A 15 57.508 54.748 46.391 1.00 56.89 C +ATOM 114 OG SER A 15 58.766 55.406 46.420 1.00 75.62 O +ATOM 115 N THR A 16 57.663 56.418 43.804 1.00 39.01 N +ATOM 116 CA THR A 16 57.395 57.643 43.063 1.00 41.72 C +ATOM 117 C THR A 16 56.378 57.437 41.939 1.00 40.15 C +ATOM 118 O THR A 16 55.392 58.168 41.842 1.00 42.26 O +ATOM 119 CB THR A 16 58.713 58.196 42.500 1.00 39.71 C +ATOM 120 OG1 THR A 16 59.465 58.772 43.576 1.00 44.72 O +ATOM 121 CG2 THR A 16 58.473 59.231 41.416 1.00 30.91 C +ATOM 122 N MET A 17 56.598 56.412 41.118 1.00 41.80 N +ATOM 123 CA MET A 17 55.711 56.126 39.999 1.00 35.67 C +ATOM 124 C MET A 17 54.334 55.649 40.425 1.00 35.38 C +ATOM 125 O MET A 17 53.331 56.061 39.845 1.00 31.81 O +ATOM 126 CB MET A 17 56.333 55.074 39.084 1.00 47.15 C +ATOM 127 CG MET A 17 55.489 54.811 37.853 1.00 47.05 C +ATOM 128 SD MET A 17 55.281 56.356 36.939 1.00 59.67 S +ATOM 129 CE MET A 17 57.024 56.905 36.799 1.00 50.11 C +ATOM 130 N ARG A 18 54.273 54.756 41.407 1.00 36.32 N +ATOM 131 CA ARG A 18 52.971 54.282 41.863 1.00 38.07 C +ATOM 132 C ARG A 18 52.213 55.492 42.390 1.00 35.88 C +ATOM 133 O ARG A 18 51.026 55.645 42.128 1.00 37.15 O +ATOM 134 CB ARG A 18 53.104 53.246 42.998 1.00 39.41 C +ATOM 135 CG ARG A 18 53.829 51.944 42.644 1.00 39.13 C +ATOM 136 CD ARG A 18 53.525 50.869 43.690 1.00 37.84 C +ATOM 137 NE ARG A 18 53.957 51.256 45.032 1.00 37.83 N +ATOM 138 CZ ARG A 18 55.203 51.156 45.480 1.00 37.23 C +ATOM 139 NH1 ARG A 18 56.159 50.674 44.700 1.00 42.05 N +ATOM 140 NH2 ARG A 18 55.507 51.557 46.707 1.00 40.86 N +ATOM 141 N ARG A 19 52.918 56.366 43.107 1.00 30.59 N +ATOM 142 CA ARG A 19 52.309 57.564 43.685 1.00 41.58 C +ATOM 143 C ARG A 19 51.760 58.508 42.601 1.00 38.73 C +ATOM 144 O ARG A 19 50.664 59.064 42.735 1.00 34.73 O +ATOM 145 CB ARG A 19 53.339 58.282 44.568 1.00 44.50 C +ATOM 146 CG ARG A 19 52.712 59.244 45.561 1.00 54.96 C +ATOM 147 CD ARG A 19 53.516 59.296 46.858 1.00 60.80 C +ATOM 148 NE ARG A 19 52.755 59.923 47.936 1.00 62.34 N +ATOM 149 CZ ARG A 19 53.115 59.919 49.218 1.00 66.61 C +ATOM 150 NH1 ARG A 19 54.236 59.317 49.600 1.00 58.20 N +ATOM 151 NH2 ARG A 19 52.340 60.501 50.126 1.00 64.28 N +ATOM 152 N ILE A 20 52.516 58.687 41.520 1.00 39.22 N +ATOM 153 CA ILE A 20 52.041 59.518 40.414 1.00 39.53 C +ATOM 154 C ILE A 20 50.761 58.951 39.808 1.00 39.00 C +ATOM 155 O ILE A 20 49.792 59.700 39.564 1.00 40.33 O +ATOM 156 CB ILE A 20 53.091 59.619 39.296 1.00 39.47 C +ATOM 157 CG1 ILE A 20 54.324 60.360 39.799 1.00 33.68 C +ATOM 158 CG2 ILE A 20 52.484 60.304 38.074 1.00 42.98 C +ATOM 159 CD1 ILE A 20 55.437 60.468 38.760 1.00 38.48 C +ATOM 160 N VAL A 21 50.737 57.635 39.567 1.00 38.03 N +ATOM 161 CA VAL A 21 49.545 57.021 38.962 1.00 35.44 C +ATOM 162 C VAL A 21 48.345 57.093 39.896 1.00 30.67 C +ATOM 163 O VAL A 21 47.221 57.399 39.474 1.00 29.90 O +ATOM 164 CB VAL A 21 49.779 55.532 38.593 1.00 39.38 C +ATOM 165 CG1 VAL A 21 48.483 54.934 38.101 1.00 28.15 C +ATOM 166 CG2 VAL A 21 50.847 55.418 37.535 1.00 34.64 C +ATOM 167 N ARG A 22 48.587 56.804 41.174 1.00 33.77 N +ATOM 168 CA ARG A 22 47.518 56.865 42.158 1.00 40.90 C +ATOM 169 C ARG A 22 46.905 58.263 42.164 1.00 38.24 C +ATOM 170 O ARG A 22 45.673 58.428 42.105 1.00 30.50 O +ATOM 171 CB ARG A 22 48.046 56.537 43.557 1.00 46.93 C +ATOM 172 CG ARG A 22 46.981 56.675 44.640 1.00 58.12 C +ATOM 173 CD ARG A 22 47.584 56.559 46.045 1.00 67.73 C +ATOM 174 NE ARG A 22 47.913 55.190 46.444 1.00 73.30 N +ATOM 175 CZ ARG A 22 47.014 54.246 46.729 1.00 76.39 C +ATOM 176 NH1 ARG A 22 45.714 54.511 46.661 1.00 70.56 N +ATOM 177 NH2 ARG A 22 47.413 53.038 47.112 1.00 75.25 N +ATOM 178 N ASN A 23 47.756 59.284 42.237 1.00 34.69 N +ATOM 179 CA ASN A 23 47.197 60.636 42.248 1.00 34.20 C +ATOM 180 C ASN A 23 46.419 60.957 40.999 1.00 31.18 C +ATOM 181 O ASN A 23 45.285 61.476 41.092 1.00 27.79 O +ATOM 182 CB ASN A 23 48.268 61.688 42.521 1.00 32.29 C +ATOM 183 CG ASN A 23 48.484 61.893 44.003 1.00 41.52 C +ATOM 184 OD1 ASN A 23 49.489 61.455 44.574 1.00 42.49 O +ATOM 185 ND2 ASN A 23 47.508 62.543 44.645 1.00 30.00 N +ATOM 186 N LEU A 24 46.988 60.632 39.834 1.00 31.90 N +ATOM 187 CA LEU A 24 46.267 60.890 38.591 1.00 37.89 C +ATOM 188 C LEU A 24 44.926 60.172 38.606 1.00 36.23 C +ATOM 189 O LEU A 24 43.908 60.743 38.229 1.00 33.50 O +ATOM 190 CB LEU A 24 47.088 60.438 37.374 1.00 41.74 C +ATOM 191 CG LEU A 24 48.214 61.390 36.989 1.00 41.26 C +ATOM 192 CD1 LEU A 24 49.140 60.757 35.981 1.00 47.81 C +ATOM 193 CD2 LEU A 24 47.578 62.656 36.446 1.00 32.74 C +ATOM 194 N LEU A 25 44.922 58.910 39.033 1.00 44.53 N +ATOM 195 CA LEU A 25 43.673 58.155 39.072 1.00 43.59 C +ATOM 196 C LEU A 25 42.647 58.895 39.921 1.00 43.03 C +ATOM 197 O LEU A 25 41.472 58.966 39.555 1.00 42.11 O +ATOM 198 CB LEU A 25 43.904 56.724 39.604 1.00 39.68 C +ATOM 199 CG LEU A 25 44.545 55.707 38.634 1.00 43.99 C +ATOM 200 CD1 LEU A 25 44.646 54.345 39.300 1.00 32.31 C +ATOM 201 CD2 LEU A 25 43.692 55.575 37.356 1.00 34.51 C +ATOM 202 N LYS A 26 43.087 59.458 41.048 1.00 41.28 N +ATOM 203 CA LYS A 26 42.166 60.190 41.918 1.00 42.43 C +ATOM 204 C LYS A 26 41.604 61.400 41.169 1.00 46.98 C +ATOM 205 O LYS A 26 40.408 61.687 41.248 1.00 44.01 O +ATOM 206 CB LYS A 26 42.872 60.653 43.191 1.00 51.60 C +ATOM 207 CG LYS A 26 41.899 60.970 44.307 1.00 65.44 C +ATOM 208 CD LYS A 26 42.565 61.526 45.557 1.00 79.44 C +ATOM 209 CE LYS A 26 43.028 62.951 45.328 1.00 82.26 C +ATOM 210 NZ LYS A 26 41.886 63.788 44.855 1.00 93.58 N +ATOM 211 N GLU A 27 42.463 62.119 40.445 1.00 44.28 N +ATOM 212 CA GLU A 27 41.985 63.252 39.665 1.00 49.26 C +ATOM 213 C GLU A 27 40.793 62.802 38.828 1.00 46.20 C +ATOM 214 O GLU A 27 39.780 63.502 38.764 1.00 48.06 O +ATOM 215 CB GLU A 27 43.042 63.770 38.684 1.00 49.64 C +ATOM 216 CG GLU A 27 43.561 65.179 38.932 1.00 61.66 C +ATOM 217 CD GLU A 27 42.501 66.194 39.330 1.00 56.53 C +ATOM 218 OE1 GLU A 27 41.576 66.475 38.551 1.00 55.75 O +ATOM 219 OE2 GLU A 27 42.613 66.721 40.452 1.00 63.89 O +ATOM 220 N LEU A 28 40.931 61.642 38.188 1.00 42.73 N +ATOM 221 CA LEU A 28 39.904 61.096 37.307 1.00 45.39 C +ATOM 222 C LEU A 28 38.659 60.570 38.025 1.00 47.25 C +ATOM 223 O LEU A 28 37.673 60.196 37.379 1.00 49.69 O +ATOM 224 CB LEU A 28 40.529 59.990 36.422 1.00 44.29 C +ATOM 225 CG LEU A 28 41.692 60.490 35.539 1.00 49.50 C +ATOM 226 CD1 LEU A 28 42.333 59.354 34.777 1.00 42.63 C +ATOM 227 CD2 LEU A 28 41.165 61.550 34.564 1.00 48.99 C +ATOM 228 N GLY A 29 38.697 60.542 39.357 1.00 45.42 N +ATOM 229 CA GLY A 29 37.547 60.072 40.111 1.00 42.70 C +ATOM 230 C GLY A 29 37.640 58.643 40.628 1.00 46.37 C +ATOM 231 O GLY A 29 36.675 58.104 41.167 1.00 47.07 O +ATOM 232 N PHE A 30 38.798 58.016 40.468 1.00 46.10 N +ATOM 233 CA PHE A 30 38.973 56.649 40.940 1.00 42.91 C +ATOM 234 C PHE A 30 39.770 56.694 42.222 1.00 45.34 C +ATOM 235 O PHE A 30 40.952 57.078 42.212 1.00 47.34 O +ATOM 236 CB PHE A 30 39.722 55.812 39.893 1.00 39.54 C +ATOM 237 CG PHE A 30 39.066 55.803 38.533 1.00 36.15 C +ATOM 238 CD1 PHE A 30 37.882 55.093 38.305 1.00 35.71 C +ATOM 239 CD2 PHE A 30 39.622 56.529 37.489 1.00 40.85 C +ATOM 240 CE1 PHE A 30 37.273 55.116 37.054 1.00 36.86 C +ATOM 241 CE2 PHE A 30 39.020 56.558 36.244 1.00 41.67 C +ATOM 242 CZ PHE A 30 37.845 55.854 36.023 1.00 39.43 C +ATOM 243 N ASN A 31 39.125 56.299 43.321 1.00 43.49 N +ATOM 244 CA ASN A 31 39.760 56.299 44.641 1.00 47.48 C +ATOM 245 C ASN A 31 39.960 54.906 45.204 1.00 48.42 C +ATOM 246 O ASN A 31 40.598 54.736 46.241 1.00 45.14 O +ATOM 247 CB ASN A 31 38.939 57.140 45.634 1.00 50.10 C +ATOM 248 CG ASN A 31 38.824 58.595 45.206 1.00 56.12 C +ATOM 249 OD1 ASN A 31 39.823 59.294 45.096 1.00 51.58 O +ATOM 250 ND2 ASN A 31 37.598 59.050 44.948 1.00 58.14 N +ATOM 251 N ASN A 32 39.410 53.915 44.509 1.00 44.81 N +ATOM 252 CA ASN A 32 39.525 52.514 44.916 1.00 48.22 C +ATOM 253 C ASN A 32 40.764 51.971 44.206 1.00 46.11 C +ATOM 254 O ASN A 32 40.668 51.320 43.174 1.00 46.63 O +ATOM 255 CB ASN A 32 38.244 51.781 44.497 1.00 58.76 C +ATOM 256 CG ASN A 32 38.129 50.395 45.094 1.00 62.75 C +ATOM 257 OD1 ASN A 32 38.829 50.048 46.048 1.00 58.53 O +ATOM 258 ND2 ASN A 32 37.209 49.602 44.553 1.00 65.20 N +ATOM 259 N VAL A 33 41.930 52.242 44.793 1.00 39.56 N +ATOM 260 CA VAL A 33 43.220 51.875 44.218 1.00 37.92 C +ATOM 261 C VAL A 33 44.201 51.201 45.180 1.00 42.26 C +ATOM 262 O VAL A 33 44.375 51.651 46.316 1.00 45.07 O +ATOM 263 CB VAL A 33 43.902 53.151 43.665 1.00 36.54 C +ATOM 264 CG1 VAL A 33 45.299 52.851 43.172 1.00 32.89 C +ATOM 265 CG2 VAL A 33 43.041 53.750 42.556 1.00 44.75 C +ATOM 266 N GLU A 34 44.864 50.143 44.718 1.00 40.20 N +ATOM 267 CA GLU A 34 45.844 49.458 45.558 1.00 35.39 C +ATOM 268 C GLU A 34 47.172 49.394 44.825 1.00 38.82 C +ATOM 269 O GLU A 34 47.233 49.501 43.596 1.00 42.88 O +ATOM 270 CB GLU A 34 45.355 48.054 45.925 1.00 37.33 C +ATOM 271 CG GLU A 34 43.976 48.039 46.605 1.00 48.91 C +ATOM 272 CD GLU A 34 43.962 48.752 47.965 1.00 51.83 C +ATOM 273 OE1 GLU A 34 42.853 49.045 48.472 1.00 52.29 O +ATOM 274 OE2 GLU A 34 45.053 49.010 48.531 1.00 55.13 O +ATOM 275 N GLU A 35 48.238 49.229 45.583 1.00 31.59 N +ATOM 276 CA GLU A 35 49.578 49.164 45.017 1.00 36.39 C +ATOM 277 C GLU A 35 50.249 47.830 45.260 1.00 35.79 C +ATOM 278 O GLU A 35 49.902 47.126 46.200 1.00 38.36 O +ATOM 279 CB GLU A 35 50.451 50.257 45.630 1.00 38.72 C +ATOM 280 CG GLU A 35 50.021 51.662 45.274 1.00 43.41 C +ATOM 281 CD GLU A 35 50.799 52.703 46.049 1.00 41.98 C +ATOM 282 OE1 GLU A 35 52.030 52.536 46.236 1.00 38.82 O +ATOM 283 OE2 GLU A 35 50.183 53.700 46.455 1.00 44.67 O +ATOM 284 N ALA A 36 51.213 47.501 44.401 1.00 32.31 N +ATOM 285 CA ALA A 36 51.985 46.272 44.508 1.00 36.94 C +ATOM 286 C ALA A 36 53.393 46.659 44.048 1.00 39.35 C +ATOM 287 O ALA A 36 53.552 47.592 43.245 1.00 34.00 O +ATOM 288 CB ALA A 36 51.387 45.177 43.604 1.00 36.13 C +ATOM 289 N GLU A 37 54.408 45.958 44.540 1.00 39.99 N +ATOM 290 CA GLU A 37 55.781 46.294 44.191 1.00 39.40 C +ATOM 291 C GLU A 37 56.463 45.416 43.167 1.00 38.21 C +ATOM 292 O GLU A 37 57.594 45.684 42.793 1.00 38.79 O +ATOM 293 CB GLU A 37 56.638 46.386 45.459 1.00 40.20 C +ATOM 294 CG GLU A 37 56.712 45.117 46.281 1.00 56.29 C +ATOM 295 CD GLU A 37 57.554 45.298 47.539 1.00 65.08 C +ATOM 296 OE1 GLU A 37 57.831 44.291 48.227 1.00 68.02 O +ATOM 297 OE2 GLU A 37 57.933 46.457 47.837 1.00 65.69 O +ATOM 298 N ASP A 38 55.787 44.367 42.720 1.00 43.15 N +ATOM 299 CA ASP A 38 56.335 43.485 41.689 1.00 38.51 C +ATOM 300 C ASP A 38 55.273 42.501 41.291 1.00 38.81 C +ATOM 301 O ASP A 38 54.172 42.495 41.861 1.00 33.01 O +ATOM 302 CB ASP A 38 57.592 42.744 42.163 1.00 46.52 C +ATOM 303 CG ASP A 38 57.317 41.759 43.295 1.00 51.27 C +ATOM 304 OD1 ASP A 38 56.391 40.923 43.168 1.00 48.67 O +ATOM 305 OD2 ASP A 38 58.046 41.807 44.306 1.00 48.60 O +ATOM 306 N GLY A 39 55.607 41.652 40.320 1.00 38.50 N +ATOM 307 CA GLY A 39 54.665 40.664 39.814 1.00 35.84 C +ATOM 308 C GLY A 39 54.027 39.743 40.843 1.00 31.26 C +ATOM 309 O GLY A 39 52.794 39.532 40.844 1.00 26.38 O +ATOM 310 N VAL A 40 54.854 39.179 41.715 1.00 37.49 N +ATOM 311 CA VAL A 40 54.366 38.252 42.749 1.00 40.71 C +ATOM 312 C VAL A 40 53.397 38.958 43.673 1.00 37.71 C +ATOM 313 O VAL A 40 52.236 38.539 43.830 1.00 33.19 O +ATOM 314 CB VAL A 40 55.554 37.685 43.563 1.00 39.30 C +ATOM 315 CG1 VAL A 40 55.053 36.884 44.751 1.00 47.82 C +ATOM 316 CG2 VAL A 40 56.418 36.824 42.647 1.00 41.12 C +ATOM 317 N ASP A 41 53.881 40.044 44.271 1.00 36.45 N +ATOM 318 CA ASP A 41 53.059 40.850 45.171 1.00 41.85 C +ATOM 319 C ASP A 41 51.765 41.211 44.423 1.00 43.70 C +ATOM 320 O ASP A 41 50.661 41.138 44.985 1.00 43.74 O +ATOM 321 CB ASP A 41 53.861 42.098 45.588 1.00 48.93 C +ATOM 322 CG ASP A 41 53.166 42.929 46.646 1.00 56.02 C +ATOM 323 OD1 ASP A 41 52.587 42.329 47.579 1.00 63.85 O +ATOM 324 OD2 ASP A 41 53.230 44.177 46.566 1.00 50.77 O +ATOM 325 N ALA A 42 51.904 41.564 43.143 1.00 39.26 N +ATOM 326 CA ALA A 42 50.752 41.919 42.329 1.00 35.60 C +ATOM 327 C ALA A 42 49.802 40.737 42.198 1.00 36.66 C +ATOM 328 O ALA A 42 48.598 40.880 42.383 1.00 34.45 O +ATOM 329 CB ALA A 42 51.213 42.385 40.944 1.00 34.08 C +ATOM 330 N LEU A 43 50.336 39.560 41.870 1.00 36.39 N +ATOM 331 CA LEU A 43 49.478 38.382 41.734 1.00 37.61 C +ATOM 332 C LEU A 43 48.794 38.019 43.061 1.00 39.93 C +ATOM 333 O LEU A 43 47.631 37.605 43.082 1.00 38.06 O +ATOM 334 CB LEU A 43 50.291 37.208 41.167 1.00 35.32 C +ATOM 335 CG LEU A 43 50.612 37.415 39.676 1.00 38.03 C +ATOM 336 CD1 LEU A 43 51.734 36.515 39.224 1.00 31.47 C +ATOM 337 CD2 LEU A 43 49.359 37.178 38.852 1.00 31.58 C +ATOM 338 N ASN A 44 49.498 38.182 44.180 1.00 36.40 N +ATOM 339 CA ASN A 44 48.866 37.886 45.469 1.00 44.04 C +ATOM 340 C ASN A 44 47.629 38.747 45.714 1.00 48.04 C +ATOM 341 O ASN A 44 46.609 38.258 46.212 1.00 52.14 O +ATOM 342 CB ASN A 44 49.864 38.048 46.621 1.00 44.61 C +ATOM 343 CG ASN A 44 50.817 36.877 46.719 1.00 45.42 C +ATOM 344 OD1 ASN A 44 51.911 36.993 47.264 1.00 41.38 O +ATOM 345 ND2 ASN A 44 50.393 35.727 46.199 1.00 53.46 N +ATOM 346 N LYS A 45 47.698 40.026 45.360 1.00 47.10 N +ATOM 347 CA LYS A 45 46.535 40.867 45.565 1.00 43.09 C +ATOM 348 C LYS A 45 45.421 40.530 44.586 1.00 47.17 C +ATOM 349 O LYS A 45 44.242 40.555 44.953 1.00 46.51 O +ATOM 350 CB LYS A 45 46.907 42.343 45.469 1.00 42.01 C +ATOM 351 CG LYS A 45 47.790 42.788 46.612 1.00 35.94 C +ATOM 352 CD LYS A 45 47.774 44.285 46.783 1.00 45.01 C +ATOM 353 CE LYS A 45 48.407 44.662 48.108 1.00 32.46 C +ATOM 354 NZ LYS A 45 49.752 44.074 48.218 1.00 50.30 N +ATOM 355 N LEU A 46 45.777 40.219 43.341 1.00 44.44 N +ATOM 356 CA LEU A 46 44.754 39.865 42.362 1.00 46.78 C +ATOM 357 C LEU A 46 44.039 38.597 42.824 1.00 50.15 C +ATOM 358 O LEU A 46 42.828 38.453 42.637 1.00 53.81 O +ATOM 359 CB LEU A 46 45.370 39.674 40.980 1.00 43.38 C +ATOM 360 CG LEU A 46 45.937 40.967 40.377 1.00 39.59 C +ATOM 361 CD1 LEU A 46 46.621 40.667 39.053 1.00 45.20 C +ATOM 362 CD2 LEU A 46 44.816 41.980 40.184 1.00 39.45 C +ATOM 363 N GLN A 47 44.793 37.683 43.428 1.00 56.72 N +ATOM 364 CA GLN A 47 44.233 36.442 43.976 1.00 62.90 C +ATOM 365 C GLN A 47 43.115 36.809 44.959 1.00 59.05 C +ATOM 366 O GLN A 47 42.001 36.274 44.892 1.00 62.27 O +ATOM 367 CB GLN A 47 45.323 35.672 44.722 1.00 73.87 C +ATOM 368 CG GLN A 47 44.801 34.592 45.656 1.00 84.92 C +ATOM 369 CD GLN A 47 45.853 34.146 46.660 1.00 92.91 C +ATOM 370 OE1 GLN A 47 46.424 34.971 47.379 1.00 95.44 O +ATOM 371 NE2 GLN A 47 46.105 32.842 46.722 1.00 97.29 N +ATOM 372 N ALA A 48 43.430 37.734 45.862 1.00 49.74 N +ATOM 373 CA ALA A 48 42.487 38.214 46.873 1.00 50.55 C +ATOM 374 C ALA A 48 41.155 38.662 46.276 1.00 49.73 C +ATOM 375 O ALA A 48 40.152 38.714 46.981 1.00 55.29 O +ATOM 376 CB ALA A 48 43.113 39.342 47.672 1.00 51.78 C +ATOM 377 N GLY A 49 41.149 38.998 44.985 1.00 53.75 N +ATOM 378 CA GLY A 49 39.914 39.381 44.298 1.00 48.07 C +ATOM 379 C GLY A 49 39.419 40.820 44.279 1.00 46.77 C +ATOM 380 O GLY A 49 39.904 41.686 45.016 1.00 45.80 O +ATOM 381 N GLY A 50 38.425 41.055 43.420 1.00 46.07 N +ATOM 382 CA GLY A 50 37.818 42.368 43.280 1.00 40.97 C +ATOM 383 C GLY A 50 38.372 43.315 42.213 1.00 43.74 C +ATOM 384 O GLY A 50 37.660 44.208 41.758 1.00 46.07 O +ATOM 385 N TYR A 51 39.629 43.124 41.813 1.00 38.68 N +ATOM 386 CA TYR A 51 40.263 43.986 40.834 1.00 28.94 C +ATOM 387 C TYR A 51 39.654 43.962 39.450 1.00 34.35 C +ATOM 388 O TYR A 51 39.323 42.899 38.909 1.00 41.37 O +ATOM 389 CB TYR A 51 41.742 43.643 40.756 1.00 27.08 C +ATOM 390 CG TYR A 51 42.464 44.015 42.017 1.00 36.72 C +ATOM 391 CD1 TYR A 51 42.839 45.344 42.261 1.00 38.15 C +ATOM 392 CD2 TYR A 51 42.715 43.052 43.010 1.00 39.03 C +ATOM 393 CE1 TYR A 51 43.451 45.711 43.470 1.00 42.88 C +ATOM 394 CE2 TYR A 51 43.320 43.401 44.218 1.00 37.30 C +ATOM 395 CZ TYR A 51 43.684 44.731 44.444 1.00 41.63 C +ATOM 396 OH TYR A 51 44.280 45.089 45.631 1.00 47.16 O +ATOM 397 N GLY A 52 39.511 45.157 38.869 1.00 33.02 N +ATOM 398 CA GLY A 52 38.963 45.251 37.539 1.00 27.55 C +ATOM 399 C GLY A 52 39.879 45.920 36.532 1.00 31.48 C +ATOM 400 O GLY A 52 39.463 46.168 35.397 1.00 29.37 O +ATOM 401 N PHE A 53 41.119 46.202 36.931 1.00 22.51 N +ATOM 402 CA PHE A 53 42.047 46.855 36.028 1.00 26.32 C +ATOM 403 C PHE A 53 43.455 46.857 36.635 1.00 24.86 C +ATOM 404 O PHE A 53 43.622 47.024 37.851 1.00 38.85 O +ATOM 405 CB PHE A 53 41.557 48.298 35.777 1.00 34.51 C +ATOM 406 CG PHE A 53 42.101 48.929 34.526 1.00 33.14 C +ATOM 407 CD1 PHE A 53 43.449 49.286 34.426 1.00 39.18 C +ATOM 408 CD2 PHE A 53 41.251 49.178 33.445 1.00 34.35 C +ATOM 409 CE1 PHE A 53 43.945 49.892 33.259 1.00 37.48 C +ATOM 410 CE2 PHE A 53 41.730 49.789 32.260 1.00 31.20 C +ATOM 411 CZ PHE A 53 43.081 50.148 32.173 1.00 37.09 C +ATOM 412 N VAL A 54 44.456 46.673 35.790 1.00 26.59 N +ATOM 413 CA VAL A 54 45.858 46.649 36.226 1.00 28.49 C +ATOM 414 C VAL A 54 46.674 47.619 35.395 1.00 29.40 C +ATOM 415 O VAL A 54 46.460 47.744 34.191 1.00 28.74 O +ATOM 416 CB VAL A 54 46.488 45.233 36.050 1.00 34.60 C +ATOM 417 CG1 VAL A 54 47.976 45.266 36.398 1.00 26.51 C +ATOM 418 CG2 VAL A 54 45.747 44.211 36.930 1.00 30.60 C +ATOM 419 N ILE A 55 47.597 48.305 36.055 1.00 28.81 N +ATOM 420 CA ILE A 55 48.494 49.247 35.415 1.00 31.39 C +ATOM 421 C ILE A 55 49.855 48.779 35.881 1.00 33.20 C +ATOM 422 O ILE A 55 50.150 48.798 37.062 1.00 33.74 O +ATOM 423 CB ILE A 55 48.213 50.683 35.878 1.00 32.73 C +ATOM 424 CG1 ILE A 55 46.816 51.105 35.425 1.00 26.24 C +ATOM 425 CG2 ILE A 55 49.278 51.629 35.303 1.00 25.62 C +ATOM 426 CD1 ILE A 55 46.424 52.531 35.899 1.00 28.65 C +ATOM 427 N SER A 56 50.698 48.347 34.956 1.00 35.50 N +ATOM 428 CA SER A 56 51.991 47.814 35.367 1.00 31.51 C +ATOM 429 C SER A 56 53.261 48.281 34.659 1.00 31.90 C +ATOM 430 O SER A 56 53.297 48.521 33.440 1.00 33.39 O +ATOM 431 CB SER A 56 51.926 46.269 35.317 1.00 34.79 C +ATOM 432 OG SER A 56 53.174 45.678 35.669 1.00 28.10 O +ATOM 433 N ASP A 57 54.306 48.354 35.474 1.00 31.33 N +ATOM 434 CA ASP A 57 55.649 48.732 35.079 1.00 29.84 C +ATOM 435 C ASP A 57 56.208 47.483 34.414 1.00 31.94 C +ATOM 436 O ASP A 57 55.514 46.469 34.393 1.00 31.62 O +ATOM 437 CB ASP A 57 56.445 49.090 36.350 1.00 26.63 C +ATOM 438 CG ASP A 57 57.897 49.482 36.060 1.00 26.19 C +ATOM 439 OD1 ASP A 57 58.140 49.983 34.941 1.00 19.32 O +ATOM 440 OD2 ASP A 57 58.731 49.258 36.943 1.00 25.41 O +ATOM 441 N TRP A 58 57.428 47.537 33.862 1.00 35.25 N +ATOM 442 CA TRP A 58 58.005 46.345 33.238 1.00 38.07 C +ATOM 443 C TRP A 58 59.162 45.816 34.104 1.00 37.14 C +ATOM 444 O TRP A 58 59.117 44.688 34.604 1.00 37.10 O +ATOM 445 CB TRP A 58 58.526 46.649 31.814 1.00 30.75 C +ATOM 446 CG TRP A 58 58.946 45.406 31.007 1.00 39.51 C +ATOM 447 CD1 TRP A 58 59.709 44.347 31.453 1.00 39.12 C +ATOM 448 CD2 TRP A 58 58.657 45.105 29.616 1.00 35.22 C +ATOM 449 NE1 TRP A 58 59.897 43.437 30.442 1.00 39.53 N +ATOM 450 CE2 TRP A 58 59.258 43.877 29.312 1.00 33.36 C +ATOM 451 CE3 TRP A 58 57.929 45.787 28.614 1.00 38.06 C +ATOM 452 CZ2 TRP A 58 59.172 43.286 28.029 1.00 33.31 C +ATOM 453 CZ3 TRP A 58 57.842 45.195 27.336 1.00 39.35 C +ATOM 454 CH2 TRP A 58 58.461 43.963 27.061 1.00 36.63 C +ATOM 455 N ASN A 59 60.189 46.640 34.291 1.00 37.38 N +ATOM 456 CA ASN A 59 61.376 46.251 35.056 1.00 38.06 C +ATOM 457 C ASN A 59 61.151 46.264 36.572 1.00 37.85 C +ATOM 458 O ASN A 59 61.105 47.316 37.218 1.00 27.00 O +ATOM 459 CB ASN A 59 62.528 47.166 34.653 1.00 45.55 C +ATOM 460 CG ASN A 59 63.871 46.717 35.187 1.00 65.84 C +ATOM 461 OD1 ASN A 59 64.191 45.527 35.184 1.00 73.84 O +ATOM 462 ND2 ASN A 59 64.694 47.685 35.608 1.00 70.93 N +ATOM 463 N MET A 60 61.012 45.068 37.133 1.00 34.88 N +ATOM 464 CA MET A 60 60.774 44.891 38.568 1.00 38.61 C +ATOM 465 C MET A 60 61.350 43.528 38.929 1.00 42.24 C +ATOM 466 O MET A 60 61.309 42.598 38.122 1.00 43.09 O +ATOM 467 CB MET A 60 59.263 44.870 38.893 1.00 31.16 C +ATOM 468 CG MET A 60 58.448 46.071 38.409 1.00 20.17 C +ATOM 469 SD MET A 60 56.648 45.823 38.746 1.00 36.65 S +ATOM 470 CE MET A 60 56.323 44.364 37.583 1.00 35.46 C +ATOM 471 N PRO A 61 61.918 43.406 40.147 1.00 43.68 N +ATOM 472 CA PRO A 61 62.491 42.129 40.604 1.00 41.31 C +ATOM 473 C PRO A 61 61.375 41.134 40.976 1.00 43.88 C +ATOM 474 O PRO A 61 60.194 41.510 41.082 1.00 38.79 O +ATOM 475 CB PRO A 61 63.319 42.574 41.810 1.00 43.76 C +ATOM 476 CG PRO A 61 62.419 43.638 42.396 1.00 38.71 C +ATOM 477 CD PRO A 61 62.122 44.450 41.160 1.00 39.35 C +ATOM 478 N ASN A 62 61.756 39.865 41.159 1.00 39.92 N +ATOM 479 CA ASN A 62 60.829 38.773 41.510 1.00 45.10 C +ATOM 480 C ASN A 62 60.012 38.278 40.310 1.00 46.07 C +ATOM 481 O ASN A 62 60.079 37.105 39.960 1.00 47.99 O +ATOM 482 CB ASN A 62 59.915 39.172 42.680 1.00 46.31 C +ATOM 483 CG ASN A 62 60.709 39.482 43.957 1.00 45.97 C +ATOM 484 OD1 ASN A 62 61.836 38.997 44.134 1.00 41.66 O +ATOM 485 ND2 ASN A 62 60.116 40.273 44.858 1.00 44.92 N +ATOM 486 N MET A 63 59.247 39.163 39.688 1.00 41.32 N +ATOM 487 CA MET A 63 58.490 38.825 38.480 1.00 39.01 C +ATOM 488 C MET A 63 58.259 40.119 37.718 1.00 38.68 C +ATOM 489 O MET A 63 57.590 41.011 38.214 1.00 40.55 O +ATOM 490 CB MET A 63 57.138 38.188 38.779 1.00 32.17 C +ATOM 491 CG MET A 63 56.390 37.956 37.470 1.00 34.58 C +ATOM 492 SD MET A 63 54.721 37.255 37.595 1.00 43.12 S +ATOM 493 CE MET A 63 55.135 35.596 38.238 1.00 46.71 C +ATOM 494 N ASP A 64 58.820 40.235 36.522 1.00 39.47 N +ATOM 495 CA ASP A 64 58.639 41.468 35.770 1.00 32.25 C +ATOM 496 C ASP A 64 57.244 41.592 35.153 1.00 32.65 C +ATOM 497 O ASP A 64 56.417 40.677 35.241 1.00 34.81 O +ATOM 498 CB ASP A 64 59.733 41.640 34.706 1.00 30.40 C +ATOM 499 CG ASP A 64 59.596 40.670 33.538 1.00 30.24 C +ATOM 500 OD1 ASP A 64 58.477 40.470 33.026 1.00 31.21 O +ATOM 501 OD2 ASP A 64 60.619 40.138 33.098 1.00 39.16 O +ATOM 502 N GLY A 65 56.989 42.748 34.542 1.00 33.19 N +ATOM 503 CA GLY A 65 55.697 43.037 33.950 1.00 27.26 C +ATOM 504 C GLY A 65 55.278 42.222 32.750 1.00 32.31 C +ATOM 505 O GLY A 65 54.076 42.004 32.567 1.00 27.44 O +ATOM 506 N LEU A 66 56.225 41.779 31.925 1.00 31.20 N +ATOM 507 CA LEU A 66 55.846 40.960 30.757 1.00 39.16 C +ATOM 508 C LEU A 66 55.315 39.639 31.320 1.00 39.11 C +ATOM 509 O LEU A 66 54.257 39.169 30.913 1.00 38.27 O +ATOM 510 CB LEU A 66 57.045 40.654 29.837 1.00 32.34 C +ATOM 511 CG LEU A 66 56.751 40.602 28.322 1.00 39.86 C +ATOM 512 CD1 LEU A 66 57.879 39.830 27.605 1.00 26.19 C +ATOM 513 CD2 LEU A 66 55.420 39.950 28.040 1.00 34.75 C +ATOM 514 N GLU A 67 56.061 39.062 32.273 1.00 37.14 N +ATOM 515 CA GLU A 67 55.661 37.819 32.925 1.00 37.04 C +ATOM 516 C GLU A 67 54.330 37.968 33.642 1.00 40.41 C +ATOM 517 O GLU A 67 53.482 37.074 33.560 1.00 34.84 O +ATOM 518 CB GLU A 67 56.716 37.357 33.932 1.00 33.04 C +ATOM 519 CG GLU A 67 57.871 36.601 33.341 1.00 37.75 C +ATOM 520 CD GLU A 67 57.434 35.290 32.683 1.00 41.89 C +ATOM 521 OE1 GLU A 67 57.309 35.250 31.446 1.00 45.37 O +ATOM 522 OE2 GLU A 67 57.198 34.299 33.409 1.00 38.77 O +ATOM 523 N LEU A 68 54.152 39.090 34.349 1.00 33.93 N +ATOM 524 CA LEU A 68 52.904 39.338 35.057 1.00 36.86 C +ATOM 525 C LEU A 68 51.782 39.357 34.034 1.00 40.25 C +ATOM 526 O LEU A 68 50.766 38.703 34.198 1.00 37.81 O +ATOM 527 CB LEU A 68 52.950 40.679 35.804 1.00 38.97 C +ATOM 528 CG LEU A 68 51.584 41.147 36.334 1.00 29.18 C +ATOM 529 CD1 LEU A 68 50.984 40.078 37.267 1.00 35.05 C +ATOM 530 CD2 LEU A 68 51.736 42.483 37.080 1.00 34.92 C +ATOM 531 N LEU A 69 51.982 40.118 32.964 1.00 37.84 N +ATOM 532 CA LEU A 69 50.980 40.206 31.900 1.00 37.12 C +ATOM 533 C LEU A 69 50.643 38.810 31.350 1.00 33.16 C +ATOM 534 O LEU A 69 49.461 38.438 31.233 1.00 27.96 O +ATOM 535 CB LEU A 69 51.490 41.088 30.753 1.00 26.04 C +ATOM 536 CG LEU A 69 50.668 41.043 29.466 1.00 26.86 C +ATOM 537 CD1 LEU A 69 49.216 41.520 29.761 1.00 24.08 C +ATOM 538 CD2 LEU A 69 51.330 41.913 28.423 1.00 24.08 C +ATOM 539 N LYS A 70 51.673 38.055 30.988 1.00 29.78 N +ATOM 540 CA LYS A 70 51.463 36.710 30.448 1.00 38.42 C +ATOM 541 C LYS A 70 50.734 35.842 31.457 1.00 33.72 C +ATOM 542 O LYS A 70 49.824 35.095 31.099 1.00 32.69 O +ATOM 543 CB LYS A 70 52.790 36.066 30.064 1.00 34.60 C +ATOM 544 CG LYS A 70 53.425 36.685 28.831 1.00 33.93 C +ATOM 545 CD LYS A 70 54.829 36.094 28.549 1.00 25.06 C +ATOM 546 CE LYS A 70 55.420 36.674 27.270 1.00 22.95 C +ATOM 547 NZ LYS A 70 56.874 36.375 27.139 1.00 28.64 N +ATOM 548 N THR A 71 51.120 35.959 32.723 1.00 32.47 N +ATOM 549 CA THR A 71 50.468 35.191 33.771 1.00 32.52 C +ATOM 550 C THR A 71 48.974 35.504 33.839 1.00 33.71 C +ATOM 551 O THR A 71 48.152 34.596 33.877 1.00 35.04 O +ATOM 552 CB THR A 71 51.098 35.465 35.132 1.00 33.20 C +ATOM 553 OG1 THR A 71 52.506 35.185 35.072 1.00 48.74 O +ATOM 554 CG2 THR A 71 50.469 34.562 36.188 1.00 44.81 C +ATOM 555 N ILE A 72 48.621 36.787 33.833 1.00 38.33 N +ATOM 556 CA ILE A 72 47.223 37.210 33.906 1.00 32.19 C +ATOM 557 C ILE A 72 46.366 36.709 32.731 1.00 35.81 C +ATOM 558 O ILE A 72 45.240 36.251 32.925 1.00 32.33 O +ATOM 559 CB ILE A 72 47.130 38.749 33.960 1.00 38.70 C +ATOM 560 CG1 ILE A 72 47.733 39.255 35.271 1.00 38.13 C +ATOM 561 CG2 ILE A 72 45.683 39.187 33.812 1.00 31.86 C +ATOM 562 CD1 ILE A 72 47.629 40.735 35.453 1.00 37.20 C +ATOM 563 N ARG A 73 46.895 36.831 31.516 1.00 38.23 N +ATOM 564 CA ARG A 73 46.215 36.386 30.303 1.00 41.02 C +ATOM 565 C ARG A 73 46.042 34.863 30.208 1.00 45.71 C +ATOM 566 O ARG A 73 45.116 34.377 29.554 1.00 48.63 O +ATOM 567 CB ARG A 73 46.996 36.852 29.073 1.00 36.41 C +ATOM 568 CG ARG A 73 46.962 38.324 28.834 1.00 45.05 C +ATOM 569 CD ARG A 73 45.634 38.757 28.249 1.00 40.71 C +ATOM 570 NE ARG A 73 45.558 40.211 28.245 1.00 43.28 N +ATOM 571 CZ ARG A 73 44.927 40.937 29.164 1.00 39.19 C +ATOM 572 NH1 ARG A 73 44.307 40.326 30.166 1.00 39.81 N +ATOM 573 NH2 ARG A 73 44.947 42.277 29.091 1.00 32.79 N +ATOM 574 N ALA A 74 46.937 34.121 30.848 1.00 43.37 N +ATOM 575 CA ALA A 74 46.901 32.654 30.804 1.00 53.11 C +ATOM 576 C ALA A 74 46.062 32.064 31.921 1.00 56.22 C +ATOM 577 O ALA A 74 45.790 30.864 31.935 1.00 62.37 O +ATOM 578 CB ALA A 74 48.342 32.074 30.866 1.00 41.72 C +ATOM 579 N ASP A 75 45.656 32.912 32.861 1.00 53.12 N +ATOM 580 CA ASP A 75 44.851 32.468 33.987 1.00 58.07 C +ATOM 581 C ASP A 75 43.370 32.512 33.585 1.00 58.01 C +ATOM 582 O ASP A 75 42.866 33.541 33.142 1.00 53.43 O +ATOM 583 CB ASP A 75 45.096 33.392 35.176 1.00 63.30 C +ATOM 584 CG ASP A 75 44.528 32.849 36.468 1.00 63.27 C +ATOM 585 OD1 ASP A 75 45.266 32.153 37.197 1.00 69.53 O +ATOM 586 OD2 ASP A 75 43.337 33.098 36.740 1.00 62.63 O +ATOM 587 N GLY A 76 42.678 31.386 33.736 1.00 58.55 N +ATOM 588 CA GLY A 76 41.268 31.319 33.385 1.00 55.61 C +ATOM 589 C GLY A 76 40.380 32.311 34.117 1.00 55.40 C +ATOM 590 O GLY A 76 39.435 32.855 33.541 1.00 54.92 O +ATOM 591 N ALA A 77 40.676 32.558 35.386 1.00 50.08 N +ATOM 592 CA ALA A 77 39.880 33.494 36.170 1.00 56.20 C +ATOM 593 C ALA A 77 40.273 34.965 35.975 1.00 57.35 C +ATOM 594 O ALA A 77 39.570 35.849 36.464 1.00 59.14 O +ATOM 595 CB ALA A 77 39.968 33.132 37.663 1.00 52.05 C +ATOM 596 N MET A 78 41.376 35.228 35.266 1.00 54.78 N +ATOM 597 CA MET A 78 41.852 36.604 35.054 1.00 56.90 C +ATOM 598 C MET A 78 42.161 37.028 33.615 1.00 54.24 C +ATOM 599 O MET A 78 42.366 38.211 33.356 1.00 54.02 O +ATOM 600 CB MET A 78 43.143 36.855 35.840 1.00 57.73 C +ATOM 601 CG MET A 78 43.058 36.766 37.327 1.00 57.87 C +ATOM 602 SD MET A 78 44.649 37.242 38.021 1.00 59.92 S +ATOM 603 CE MET A 78 45.707 36.029 37.338 1.00 55.92 C +ATOM 604 N SER A 79 42.211 36.067 32.696 1.00 47.42 N +ATOM 605 CA SER A 79 42.568 36.306 31.297 1.00 46.76 C +ATOM 606 C SER A 79 42.108 37.579 30.565 1.00 44.15 C +ATOM 607 O SER A 79 42.819 38.069 29.696 1.00 45.28 O +ATOM 608 CB SER A 79 42.173 35.088 30.455 1.00 38.26 C +ATOM 609 OG SER A 79 40.772 34.895 30.489 1.00 46.76 O +ATOM 610 N ALA A 80 40.941 38.115 30.906 1.00 38.38 N +ATOM 611 CA ALA A 80 40.426 39.303 30.223 1.00 38.94 C +ATOM 612 C ALA A 80 40.680 40.591 31.012 1.00 38.36 C +ATOM 613 O ALA A 80 40.310 41.678 30.572 1.00 38.40 O +ATOM 614 CB ALA A 80 38.914 39.135 29.966 1.00 36.34 C +ATOM 615 N LEU A 81 41.278 40.458 32.188 1.00 36.88 N +ATOM 616 CA LEU A 81 41.574 41.612 33.033 1.00 39.94 C +ATOM 617 C LEU A 81 42.397 42.662 32.253 1.00 45.40 C +ATOM 618 O LEU A 81 43.461 42.355 31.676 1.00 40.92 O +ATOM 619 CB LEU A 81 42.359 41.162 34.274 1.00 39.84 C +ATOM 620 CG LEU A 81 42.572 42.171 35.402 1.00 44.21 C +ATOM 621 CD1 LEU A 81 41.221 42.579 35.972 1.00 40.53 C +ATOM 622 CD2 LEU A 81 43.428 41.558 36.497 1.00 44.57 C +ATOM 623 N PRO A 82 41.899 43.903 32.206 1.00 36.77 N +ATOM 624 CA PRO A 82 42.643 44.947 31.488 1.00 37.95 C +ATOM 625 C PRO A 82 44.016 45.147 32.117 1.00 33.22 C +ATOM 626 O PRO A 82 44.135 45.239 33.335 1.00 33.01 O +ATOM 627 CB PRO A 82 41.748 46.179 31.658 1.00 25.15 C +ATOM 628 CG PRO A 82 40.364 45.563 31.751 1.00 41.01 C +ATOM 629 CD PRO A 82 40.659 44.459 32.757 1.00 39.69 C +ATOM 630 N VAL A 83 45.057 45.208 31.286 1.00 33.86 N +ATOM 631 CA VAL A 83 46.417 45.435 31.779 1.00 29.85 C +ATOM 632 C VAL A 83 47.045 46.549 30.922 1.00 32.88 C +ATOM 633 O VAL A 83 47.226 46.390 29.717 1.00 32.68 O +ATOM 634 CB VAL A 83 47.258 44.144 31.719 1.00 30.75 C +ATOM 635 CG1 VAL A 83 48.715 44.417 32.105 1.00 31.24 C +ATOM 636 CG2 VAL A 83 46.681 43.099 32.685 1.00 37.42 C +ATOM 637 N LEU A 84 47.302 47.694 31.551 1.00 30.33 N +ATOM 638 CA LEU A 84 47.920 48.842 30.883 1.00 31.75 C +ATOM 639 C LEU A 84 49.374 48.951 31.306 1.00 25.87 C +ATOM 640 O LEU A 84 49.671 49.225 32.470 1.00 29.33 O +ATOM 641 CB LEU A 84 47.205 50.155 31.256 1.00 34.44 C +ATOM 642 CG LEU A 84 47.931 51.470 30.848 1.00 35.90 C +ATOM 643 CD1 LEU A 84 48.109 51.570 29.323 1.00 33.65 C +ATOM 644 CD2 LEU A 84 47.144 52.667 31.377 1.00 29.03 C +ATOM 645 N MET A 85 50.282 48.729 30.363 1.00 26.20 N +ATOM 646 CA MET A 85 51.698 48.834 30.669 1.00 26.02 C +ATOM 647 C MET A 85 52.084 50.313 30.739 1.00 34.91 C +ATOM 648 O MET A 85 51.640 51.112 29.915 1.00 31.91 O +ATOM 649 CB MET A 85 52.548 48.140 29.590 1.00 21.85 C +ATOM 650 CG MET A 85 52.259 46.660 29.344 1.00 28.80 C +ATOM 651 SD MET A 85 52.294 45.603 30.825 1.00 31.62 S +ATOM 652 CE MET A 85 54.081 45.649 31.257 1.00 12.20 C +ATOM 653 N VAL A 86 52.896 50.655 31.740 1.00 35.31 N +ATOM 654 CA VAL A 86 53.406 52.016 31.955 1.00 29.42 C +ATOM 655 C VAL A 86 54.871 51.776 32.311 1.00 28.72 C +ATOM 656 O VAL A 86 55.213 51.428 33.444 1.00 36.04 O +ATOM 657 CB VAL A 86 52.673 52.732 33.102 1.00 28.76 C +ATOM 658 CG1 VAL A 86 53.287 54.091 33.347 1.00 33.82 C +ATOM 659 CG2 VAL A 86 51.180 52.895 32.752 1.00 22.63 C +ATOM 660 N THR A 87 55.735 51.974 31.317 1.00 30.92 N +ATOM 661 CA THR A 87 57.140 51.666 31.460 1.00 28.74 C +ATOM 662 C THR A 87 58.108 52.593 30.693 1.00 28.18 C +ATOM 663 O THR A 87 57.705 53.321 29.775 1.00 31.85 O +ATOM 664 CB THR A 87 57.334 50.174 30.961 1.00 21.46 C +ATOM 665 OG1 THR A 87 58.725 49.859 30.817 1.00 29.60 O +ATOM 666 CG2 THR A 87 56.646 49.982 29.607 1.00 25.21 C +ATOM 667 N ALA A 88 59.393 52.553 31.069 1.00 22.33 N +ATOM 668 CA ALA A 88 60.423 53.339 30.388 1.00 28.05 C +ATOM 669 C ALA A 88 60.919 52.590 29.127 1.00 33.88 C +ATOM 670 O ALA A 88 61.537 53.189 28.243 1.00 40.24 O +ATOM 671 CB ALA A 88 61.597 53.603 31.335 1.00 27.25 C +ATOM 672 N GLU A 89 60.640 51.288 29.049 1.00 30.80 N +ATOM 673 CA GLU A 89 61.027 50.452 27.907 1.00 34.43 C +ATOM 674 C GLU A 89 60.325 50.959 26.673 1.00 32.84 C +ATOM 675 O GLU A 89 59.097 50.866 26.562 1.00 38.01 O +ATOM 676 CB GLU A 89 60.610 48.976 28.109 1.00 37.61 C +ATOM 677 CG GLU A 89 61.413 48.175 29.118 1.00 51.55 C +ATOM 678 CD GLU A 89 62.891 48.091 28.769 1.00 53.52 C +ATOM 679 OE1 GLU A 89 63.225 47.803 27.595 1.00 59.38 O +ATOM 680 OE2 GLU A 89 63.716 48.298 29.675 1.00 49.08 O +ATOM 681 N ALA A 90 61.098 51.470 25.729 1.00 35.26 N +ATOM 682 CA ALA A 90 60.521 52.005 24.513 1.00 38.61 C +ATOM 683 C ALA A 90 61.033 51.432 23.181 1.00 40.11 C +ATOM 684 O ALA A 90 60.754 52.008 22.142 1.00 44.69 O +ATOM 685 CB ALA A 90 60.666 53.522 24.522 1.00 34.73 C +ATOM 686 N LYS A 91 61.773 50.323 23.196 1.00 48.50 N +ATOM 687 CA LYS A 91 62.240 49.733 21.939 1.00 55.14 C +ATOM 688 C LYS A 91 60.998 49.084 21.319 1.00 55.69 C +ATOM 689 O LYS A 91 60.146 48.560 22.038 1.00 56.98 O +ATOM 690 CB LYS A 91 63.314 48.653 22.164 1.00 59.76 C +ATOM 691 CG LYS A 91 64.606 49.112 22.821 1.00 75.45 C +ATOM 692 CD LYS A 91 65.548 47.928 23.023 1.00 85.89 C +ATOM 693 CE LYS A 91 66.614 48.202 24.091 1.00 91.21 C +ATOM 694 NZ LYS A 91 67.545 49.327 23.780 1.00 94.83 N +ATOM 695 N LYS A 92 60.898 49.115 19.992 1.00 55.01 N +ATOM 696 CA LYS A 92 59.752 48.534 19.301 1.00 54.33 C +ATOM 697 C LYS A 92 59.577 47.055 19.583 1.00 52.94 C +ATOM 698 O LYS A 92 58.456 46.557 19.634 1.00 50.26 O +ATOM 699 CB LYS A 92 59.874 48.752 17.794 1.00 56.14 C +ATOM 700 CG LYS A 92 59.887 50.209 17.437 1.00 61.96 C +ATOM 701 CD LYS A 92 58.586 50.886 17.826 1.00 64.82 C +ATOM 702 CE LYS A 92 58.824 52.369 18.035 1.00 69.55 C +ATOM 703 NZ LYS A 92 57.659 53.194 17.658 1.00 66.64 N +ATOM 704 N GLU A 93 60.687 46.357 19.762 1.00 50.61 N +ATOM 705 CA GLU A 93 60.645 44.928 20.034 1.00 56.24 C +ATOM 706 C GLU A 93 59.983 44.624 21.376 1.00 54.33 C +ATOM 707 O GLU A 93 59.456 43.536 21.579 1.00 50.71 O +ATOM 708 CB GLU A 93 62.059 44.347 20.005 1.00 59.01 C +ATOM 709 CG GLU A 93 62.778 44.551 18.669 1.00 80.08 C +ATOM 710 CD GLU A 93 62.185 43.751 17.514 1.00 85.94 C +ATOM 711 OE1 GLU A 93 62.629 43.968 16.363 1.00 92.79 O +ATOM 712 OE2 GLU A 93 61.295 42.902 17.755 1.00 84.64 O +ATOM 713 N ASN A 94 60.009 45.583 22.294 1.00 47.86 N +ATOM 714 CA ASN A 94 59.390 45.365 23.588 1.00 48.05 C +ATOM 715 C ASN A 94 57.913 45.737 23.569 1.00 48.36 C +ATOM 716 O ASN A 94 57.097 45.087 24.230 1.00 39.16 O +ATOM 717 CB ASN A 94 60.151 46.112 24.686 1.00 54.57 C +ATOM 718 CG ASN A 94 61.540 45.534 24.897 1.00 59.75 C +ATOM 719 OD1 ASN A 94 61.714 44.312 24.891 1.00 73.80 O +ATOM 720 ND2 ASN A 94 62.519 46.389 25.096 1.00 60.51 N +ATOM 721 N ILE A 95 57.587 46.767 22.794 1.00 40.27 N +ATOM 722 CA ILE A 95 56.223 47.198 22.619 1.00 39.52 C +ATOM 723 C ILE A 95 55.508 46.049 21.899 1.00 38.34 C +ATOM 724 O ILE A 95 54.359 45.704 22.204 1.00 36.10 O +ATOM 725 CB ILE A 95 56.142 48.449 21.731 1.00 39.87 C +ATOM 726 CG1 ILE A 95 56.698 49.666 22.481 1.00 36.22 C +ATOM 727 CG2 ILE A 95 54.694 48.642 21.265 1.00 29.19 C +ATOM 728 CD1 ILE A 95 56.750 50.916 21.646 1.00 48.07 C +ATOM 729 N ILE A 96 56.202 45.454 20.936 1.00 41.60 N +ATOM 730 CA ILE A 96 55.646 44.332 20.182 1.00 44.99 C +ATOM 731 C ILE A 96 55.417 43.126 21.085 1.00 39.28 C +ATOM 732 O ILE A 96 54.346 42.507 21.052 1.00 40.68 O +ATOM 733 CB ILE A 96 56.592 43.881 19.045 1.00 38.23 C +ATOM 734 CG1 ILE A 96 56.566 44.896 17.898 1.00 39.13 C +ATOM 735 CG2 ILE A 96 56.193 42.481 18.560 1.00 28.16 C +ATOM 736 CD1 ILE A 96 57.714 44.708 16.895 1.00 33.70 C +ATOM 737 N ALA A 97 56.428 42.790 21.877 1.00 35.13 N +ATOM 738 CA ALA A 97 56.329 41.649 22.787 1.00 32.94 C +ATOM 739 C ALA A 97 55.182 41.792 23.797 1.00 32.42 C +ATOM 740 O ALA A 97 54.515 40.815 24.119 1.00 29.23 O +ATOM 741 CB ALA A 97 57.645 41.461 23.531 1.00 29.47 C +ATOM 742 N ALA A 98 54.952 43.002 24.297 1.00 24.77 N +ATOM 743 CA ALA A 98 53.887 43.205 25.269 1.00 25.51 C +ATOM 744 C ALA A 98 52.543 43.241 24.538 1.00 27.86 C +ATOM 745 O ALA A 98 51.539 42.774 25.053 1.00 34.45 O +ATOM 746 CB ALA A 98 54.126 44.517 26.032 1.00 29.76 C +ATOM 747 N ALA A 99 52.530 43.795 23.327 1.00 33.77 N +ATOM 748 CA ALA A 99 51.306 43.889 22.540 1.00 32.77 C +ATOM 749 C ALA A 99 50.867 42.474 22.209 1.00 35.00 C +ATOM 750 O ALA A 99 49.699 42.090 22.418 1.00 31.01 O +ATOM 751 CB ALA A 99 51.566 44.685 21.244 1.00 28.57 C +ATOM 752 N GLN A 100 51.809 41.697 21.703 1.00 30.41 N +ATOM 753 CA GLN A 100 51.517 40.308 21.351 1.00 35.21 C +ATOM 754 C GLN A 100 51.138 39.508 22.587 1.00 34.29 C +ATOM 755 O GLN A 100 50.301 38.611 22.511 1.00 33.48 O +ATOM 756 CB GLN A 100 52.711 39.650 20.647 1.00 33.20 C +ATOM 757 CG GLN A 100 52.968 40.132 19.215 1.00 32.79 C +ATOM 758 CD GLN A 100 51.792 39.821 18.282 1.00 43.27 C +ATOM 759 OE1 GLN A 100 51.279 38.697 18.283 1.00 30.53 O +ATOM 760 NE2 GLN A 100 51.377 40.811 17.463 1.00 26.34 N +ATOM 761 N ALA A 101 51.745 39.825 23.730 1.00 37.36 N +ATOM 762 CA ALA A 101 51.431 39.090 24.957 1.00 34.26 C +ATOM 763 C ALA A 101 50.036 39.413 25.461 1.00 30.23 C +ATOM 764 O ALA A 101 49.568 38.809 26.428 1.00 30.01 O +ATOM 765 CB ALA A 101 52.478 39.384 26.054 1.00 36.47 C +ATOM 766 N GLY A 102 49.380 40.384 24.823 1.00 31.98 N +ATOM 767 CA GLY A 102 48.020 40.732 25.214 1.00 31.79 C +ATOM 768 C GLY A 102 47.810 42.050 25.956 1.00 35.09 C +ATOM 769 O GLY A 102 46.747 42.272 26.560 1.00 30.53 O +ATOM 770 N ALA A 103 48.788 42.944 25.911 1.00 30.52 N +ATOM 771 CA ALA A 103 48.627 44.230 26.617 1.00 29.91 C +ATOM 772 C ALA A 103 47.465 45.066 26.065 1.00 32.38 C +ATOM 773 O ALA A 103 47.309 45.213 24.861 1.00 37.42 O +ATOM 774 CB ALA A 103 49.901 45.008 26.549 1.00 23.45 C +ATOM 775 N SER A 104 46.640 45.602 26.965 1.00 30.58 N +ATOM 776 CA SER A 104 45.480 46.403 26.591 1.00 35.31 C +ATOM 777 C SER A 104 45.901 47.765 26.037 1.00 36.56 C +ATOM 778 O SER A 104 45.203 48.364 25.225 1.00 35.65 O +ATOM 779 CB SER A 104 44.601 46.597 27.832 1.00 35.97 C +ATOM 780 OG SER A 104 44.320 45.347 28.455 1.00 36.26 O +ATOM 781 N GLY A 105 47.048 48.247 26.495 1.00 35.28 N +ATOM 782 CA GLY A 105 47.566 49.540 26.066 1.00 36.85 C +ATOM 783 C GLY A 105 48.999 49.627 26.545 1.00 35.08 C +ATOM 784 O GLY A 105 49.398 48.815 27.368 1.00 40.04 O +ATOM 785 N TYR A 106 49.765 50.602 26.059 1.00 36.02 N +ATOM 786 CA TYR A 106 51.177 50.735 26.443 1.00 30.88 C +ATOM 787 C TYR A 106 51.571 52.220 26.516 1.00 35.86 C +ATOM 788 O TYR A 106 51.442 52.948 25.536 1.00 33.10 O +ATOM 789 CB TYR A 106 52.028 50.034 25.389 1.00 29.41 C +ATOM 790 CG TYR A 106 53.465 49.726 25.759 1.00 34.19 C +ATOM 791 CD1 TYR A 106 53.868 48.418 25.959 1.00 26.43 C +ATOM 792 CD2 TYR A 106 54.432 50.724 25.823 1.00 34.89 C +ATOM 793 CE1 TYR A 106 55.188 48.099 26.207 1.00 25.31 C +ATOM 794 CE2 TYR A 106 55.769 50.415 26.073 1.00 31.10 C +ATOM 795 CZ TYR A 106 56.140 49.089 26.260 1.00 27.65 C +ATOM 796 OH TYR A 106 57.457 48.735 26.495 1.00 33.14 O +ATOM 797 N VAL A 107 52.050 52.660 27.680 1.00 34.12 N +ATOM 798 CA VAL A 107 52.472 54.044 27.878 1.00 29.37 C +ATOM 799 C VAL A 107 53.960 54.111 28.237 1.00 32.61 C +ATOM 800 O VAL A 107 54.415 53.411 29.144 1.00 27.48 O +ATOM 801 CB VAL A 107 51.663 54.715 28.997 1.00 35.02 C +ATOM 802 CG1 VAL A 107 52.286 56.059 29.375 1.00 34.49 C +ATOM 803 CG2 VAL A 107 50.229 54.926 28.540 1.00 30.34 C +ATOM 804 N VAL A 108 54.722 54.951 27.531 1.00 32.70 N +ATOM 805 CA VAL A 108 56.154 55.076 27.812 1.00 37.22 C +ATOM 806 C VAL A 108 56.478 56.257 28.737 1.00 42.28 C +ATOM 807 O VAL A 108 55.950 57.365 28.567 1.00 40.29 O +ATOM 808 CB VAL A 108 56.984 55.201 26.509 1.00 41.10 C +ATOM 809 CG1 VAL A 108 56.770 53.963 25.614 1.00 40.40 C +ATOM 810 CG2 VAL A 108 56.562 56.439 25.756 1.00 59.96 C +ATOM 811 N LYS A 109 57.343 56.000 29.719 1.00 34.89 N +ATOM 812 CA LYS A 109 57.748 57.010 30.697 1.00 38.49 C +ATOM 813 C LYS A 109 58.839 57.907 30.103 1.00 35.72 C +ATOM 814 O LYS A 109 59.694 57.439 29.356 1.00 36.60 O +ATOM 815 CB LYS A 109 58.305 56.337 31.967 1.00 32.50 C +ATOM 816 CG LYS A 109 57.356 55.422 32.716 1.00 29.02 C +ATOM 817 CD LYS A 109 58.081 54.802 33.883 1.00 31.49 C +ATOM 818 CE LYS A 109 57.184 53.871 34.718 1.00 28.89 C +ATOM 819 NZ LYS A 109 58.005 53.152 35.753 1.00 32.05 N +ATOM 820 N PRO A 110 58.827 59.199 30.447 1.00 36.74 N +ATOM 821 CA PRO A 110 57.886 59.925 31.310 1.00 36.38 C +ATOM 822 C PRO A 110 56.618 60.205 30.525 1.00 36.82 C +ATOM 823 O PRO A 110 56.656 60.342 29.301 1.00 39.36 O +ATOM 824 CB PRO A 110 58.651 61.203 31.636 1.00 37.79 C +ATOM 825 CG PRO A 110 59.289 61.493 30.289 1.00 42.10 C +ATOM 826 CD PRO A 110 59.917 60.118 30.025 1.00 40.51 C +ATOM 827 N PHE A 111 55.496 60.307 31.217 1.00 34.91 N +ATOM 828 CA PHE A 111 54.227 60.559 30.546 1.00 38.53 C +ATOM 829 C PHE A 111 53.466 61.710 31.208 1.00 40.12 C +ATOM 830 O PHE A 111 53.570 61.941 32.410 1.00 46.67 O +ATOM 831 CB PHE A 111 53.384 59.282 30.582 1.00 25.56 C +ATOM 832 CG PHE A 111 53.081 58.819 31.969 1.00 27.08 C +ATOM 833 CD1 PHE A 111 51.891 59.164 32.587 1.00 30.08 C +ATOM 834 CD2 PHE A 111 54.006 58.053 32.671 1.00 31.49 C +ATOM 835 CE1 PHE A 111 51.624 58.766 33.889 1.00 25.93 C +ATOM 836 CE2 PHE A 111 53.747 57.648 33.977 1.00 32.49 C +ATOM 837 CZ PHE A 111 52.551 58.000 34.587 1.00 30.02 C +ATOM 838 N THR A 112 52.698 62.429 30.408 1.00 42.68 N +ATOM 839 CA THR A 112 51.912 63.560 30.899 1.00 42.53 C +ATOM 840 C THR A 112 50.631 63.040 31.525 1.00 36.67 C +ATOM 841 O THR A 112 50.280 61.863 31.347 1.00 36.11 O +ATOM 842 CB THR A 112 51.528 64.488 29.726 1.00 40.06 C +ATOM 843 OG1 THR A 112 50.673 63.768 28.810 1.00 36.50 O +ATOM 844 CG2 THR A 112 52.793 64.937 28.977 1.00 26.60 C +ATOM 845 N ALA A 113 49.947 63.912 32.267 1.00 34.01 N +ATOM 846 CA ALA A 113 48.658 63.545 32.872 1.00 39.45 C +ATOM 847 C ALA A 113 47.675 63.282 31.724 1.00 42.41 C +ATOM 848 O ALA A 113 46.888 62.346 31.761 1.00 48.66 O +ATOM 849 CB ALA A 113 48.121 64.692 33.729 1.00 33.44 C +ATOM 850 N ALA A 114 47.742 64.131 30.702 1.00 41.64 N +ATOM 851 CA ALA A 114 46.873 64.014 29.545 1.00 44.06 C +ATOM 852 C ALA A 114 47.042 62.671 28.807 1.00 37.72 C +ATOM 853 O ALA A 114 46.058 62.087 28.369 1.00 33.24 O +ATOM 854 CB ALA A 114 47.129 65.193 28.580 1.00 29.49 C +ATOM 855 N THR A 115 48.277 62.205 28.640 1.00 35.46 N +ATOM 856 CA THR A 115 48.504 60.925 27.978 1.00 36.12 C +ATOM 857 C THR A 115 47.887 59.745 28.747 1.00 41.31 C +ATOM 858 O THR A 115 47.237 58.888 28.134 1.00 44.62 O +ATOM 859 CB THR A 115 50.011 60.628 27.781 1.00 35.42 C +ATOM 860 OG1 THR A 115 50.568 61.597 26.895 1.00 36.41 O +ATOM 861 CG2 THR A 115 50.216 59.238 27.161 1.00 26.91 C +ATOM 862 N LEU A 116 48.066 59.694 30.068 1.00 35.99 N +ATOM 863 CA LEU A 116 47.518 58.575 30.841 1.00 36.79 C +ATOM 864 C LEU A 116 46.006 58.526 30.717 1.00 39.40 C +ATOM 865 O LEU A 116 45.436 57.467 30.499 1.00 38.67 O +ATOM 866 CB LEU A 116 47.903 58.663 32.330 1.00 36.73 C +ATOM 867 CG LEU A 116 47.436 57.501 33.232 1.00 38.53 C +ATOM 868 CD1 LEU A 116 48.052 56.185 32.768 1.00 39.31 C +ATOM 869 CD2 LEU A 116 47.837 57.761 34.671 1.00 40.41 C +ATOM 870 N GLU A 117 45.353 59.677 30.846 1.00 38.42 N +ATOM 871 CA GLU A 117 43.893 59.722 30.734 1.00 43.46 C +ATOM 872 C GLU A 117 43.427 59.288 29.340 1.00 40.68 C +ATOM 873 O GLU A 117 42.381 58.660 29.185 1.00 34.82 O +ATOM 874 CB GLU A 117 43.365 61.133 31.045 1.00 42.57 C +ATOM 875 CG GLU A 117 41.908 61.348 30.612 1.00 50.08 C +ATOM 876 CD GLU A 117 41.342 62.714 31.014 1.00 55.82 C +ATOM 877 OE1 GLU A 117 42.053 63.729 30.867 1.00 57.56 O +ATOM 878 OE2 GLU A 117 40.174 62.772 31.454 1.00 55.40 O +ATOM 879 N GLU A 118 44.203 59.647 28.329 1.00 42.39 N +ATOM 880 CA GLU A 118 43.880 59.288 26.952 1.00 48.78 C +ATOM 881 C GLU A 118 43.883 57.765 26.792 1.00 46.39 C +ATOM 882 O GLU A 118 42.914 57.173 26.310 1.00 46.46 O +ATOM 883 CB GLU A 118 44.910 59.920 26.013 1.00 54.75 C +ATOM 884 CG GLU A 118 44.357 60.946 25.048 1.00 71.60 C +ATOM 885 CD GLU A 118 45.386 62.016 24.715 1.00 77.57 C +ATOM 886 OE1 GLU A 118 45.469 63.018 25.468 1.00 76.91 O +ATOM 887 OE2 GLU A 118 46.130 61.840 23.725 1.00 77.93 O +ATOM 888 N LYS A 119 44.973 57.139 27.223 1.00 43.54 N +ATOM 889 CA LYS A 119 45.111 55.696 27.114 1.00 42.58 C +ATOM 890 C LYS A 119 44.149 54.909 27.999 1.00 40.85 C +ATOM 891 O LYS A 119 43.735 53.797 27.638 1.00 32.00 O +ATOM 892 CB LYS A 119 46.560 55.288 27.398 1.00 45.85 C +ATOM 893 CG LYS A 119 47.551 55.886 26.421 1.00 52.05 C +ATOM 894 CD LYS A 119 47.048 55.747 24.985 1.00 56.84 C +ATOM 895 CE LYS A 119 48.071 56.251 23.971 1.00 61.53 C +ATOM 896 NZ LYS A 119 47.474 56.425 22.605 1.00 47.70 N +ATOM 897 N LEU A 120 43.799 55.459 29.163 1.00 35.34 N +ATOM 898 CA LEU A 120 42.864 54.746 30.022 1.00 41.52 C +ATOM 899 C LEU A 120 41.499 54.772 29.328 1.00 41.19 C +ATOM 900 O LEU A 120 40.823 53.744 29.232 1.00 40.95 O +ATOM 901 CB LEU A 120 42.790 55.381 31.417 1.00 40.61 C +ATOM 902 CG LEU A 120 43.960 55.045 32.341 1.00 44.17 C +ATOM 903 CD1 LEU A 120 43.913 55.887 33.598 1.00 44.62 C +ATOM 904 CD2 LEU A 120 43.899 53.573 32.681 1.00 37.50 C +ATOM 905 N ASN A 121 41.117 55.935 28.805 1.00 42.57 N +ATOM 906 CA ASN A 121 39.833 56.038 28.120 1.00 45.65 C +ATOM 907 C ASN A 121 39.788 55.231 26.835 1.00 42.63 C +ATOM 908 O ASN A 121 38.732 54.716 26.465 1.00 41.17 O +ATOM 909 CB ASN A 121 39.454 57.498 27.850 1.00 45.61 C +ATOM 910 CG ASN A 121 39.101 58.252 29.129 1.00 53.13 C +ATOM 911 OD1 ASN A 121 38.579 57.664 30.083 1.00 55.43 O +ATOM 912 ND2 ASN A 121 39.355 59.556 29.146 1.00 45.99 N +ATOM 913 N LYS A 122 40.932 55.098 26.167 1.00 38.44 N +ATOM 914 CA LYS A 122 40.981 54.324 24.936 1.00 42.09 C +ATOM 915 C LYS A 122 40.674 52.870 25.272 1.00 44.00 C +ATOM 916 O LYS A 122 40.000 52.177 24.517 1.00 46.75 O +ATOM 917 CB LYS A 122 42.363 54.427 24.284 1.00 42.86 C +ATOM 918 CG LYS A 122 42.478 53.677 22.931 1.00 37.09 C +ATOM 919 CD LYS A 122 43.856 53.922 22.284 1.00 48.66 C +ATOM 920 CE LYS A 122 44.032 53.182 20.962 1.00 48.42 C +ATOM 921 NZ LYS A 122 43.050 53.560 19.907 1.00 58.45 N +ATOM 922 N ILE A 123 41.170 52.413 26.418 1.00 36.35 N +ATOM 923 CA ILE A 123 40.921 51.050 26.847 1.00 38.72 C +ATOM 924 C ILE A 123 39.482 50.855 27.332 1.00 45.44 C +ATOM 925 O ILE A 123 38.880 49.800 27.096 1.00 47.36 O +ATOM 926 CB ILE A 123 41.902 50.655 27.952 1.00 37.00 C +ATOM 927 CG1 ILE A 123 43.303 50.583 27.345 1.00 24.93 C +ATOM 928 CG2 ILE A 123 41.482 49.338 28.600 1.00 26.03 C +ATOM 929 CD1 ILE A 123 44.388 50.466 28.376 1.00 24.87 C +ATOM 930 N PHE A 124 38.930 51.864 28.010 1.00 45.04 N +ATOM 931 CA PHE A 124 37.550 51.758 28.467 1.00 46.95 C +ATOM 932 C PHE A 124 36.671 51.676 27.219 1.00 48.62 C +ATOM 933 O PHE A 124 35.727 50.897 27.166 1.00 47.95 O +ATOM 934 CB PHE A 124 37.103 52.980 29.296 1.00 47.55 C +ATOM 935 CG PHE A 124 37.837 53.158 30.604 1.00 43.69 C +ATOM 936 CD1 PHE A 124 38.137 52.071 31.411 1.00 38.28 C +ATOM 937 CD2 PHE A 124 38.181 54.430 31.049 1.00 45.25 C +ATOM 938 CE1 PHE A 124 38.768 52.242 32.640 1.00 35.55 C +ATOM 939 CE2 PHE A 124 38.815 54.615 32.282 1.00 43.24 C +ATOM 940 CZ PHE A 124 39.108 53.518 33.074 1.00 42.02 C +ATOM 941 N GLU A 125 36.993 52.490 26.218 1.00 49.15 N +ATOM 942 CA GLU A 125 36.231 52.522 24.975 1.00 56.34 C +ATOM 943 C GLU A 125 36.216 51.158 24.271 1.00 56.60 C +ATOM 944 O GLU A 125 35.153 50.665 23.897 1.00 55.08 O +ATOM 945 CB GLU A 125 36.807 53.587 24.032 1.00 65.19 C +ATOM 946 CG GLU A 125 36.118 53.706 22.664 1.00 83.92 C +ATOM 947 CD GLU A 125 34.672 54.193 22.752 1.00 94.06 C +ATOM 948 OE1 GLU A 125 34.431 55.247 23.391 1.00100.38 O +ATOM 949 OE2 GLU A 125 33.783 53.529 22.170 1.00 95.31 O +ATOM 950 N LYS A 126 37.388 50.548 24.096 1.00 51.42 N +ATOM 951 CA LYS A 126 37.459 49.260 23.422 1.00 53.04 C +ATOM 952 C LYS A 126 36.785 48.129 24.182 1.00 50.29 C +ATOM 953 O LYS A 126 36.314 47.173 23.571 1.00 54.25 O +ATOM 954 CB LYS A 126 38.910 48.848 23.122 1.00 49.10 C +ATOM 955 CG LYS A 126 38.970 47.474 22.469 1.00 53.19 C +ATOM 956 CD LYS A 126 39.966 47.386 21.337 1.00 59.87 C +ATOM 957 CE LYS A 126 39.674 46.158 20.476 1.00 62.76 C +ATOM 958 NZ LYS A 126 40.606 46.002 19.326 1.00 70.63 N +ATOM 959 N LEU A 127 36.743 48.229 25.506 1.00 48.93 N +ATOM 960 CA LEU A 127 36.117 47.186 26.305 1.00 53.86 C +ATOM 961 C LEU A 127 34.670 47.505 26.665 1.00 56.99 C +ATOM 962 O LEU A 127 34.008 46.718 27.334 1.00 60.68 O +ATOM 963 CB LEU A 127 36.921 46.942 27.584 1.00 53.58 C +ATOM 964 CG LEU A 127 38.291 46.323 27.340 1.00 51.57 C +ATOM 965 CD1 LEU A 127 39.012 46.117 28.665 1.00 49.43 C +ATOM 966 CD2 LEU A 127 38.110 44.995 26.623 1.00 46.55 C +ATOM 967 N GLY A 128 34.184 48.654 26.216 1.00 54.47 N +ATOM 968 CA GLY A 128 32.825 49.040 26.529 1.00 59.35 C +ATOM 969 C GLY A 128 32.624 49.139 28.028 1.00 61.83 C +ATOM 970 O GLY A 128 31.617 48.677 28.555 1.00 66.04 O +ATOM 971 N MET A 129 33.587 49.738 28.720 1.00 62.69 N +ATOM 972 CA MET A 129 33.512 49.898 30.170 1.00 68.58 C +ATOM 973 C MET A 129 32.951 51.250 30.598 1.00 71.50 C +ATOM 974 O MET A 129 32.429 51.325 31.734 1.00 72.80 O +ATOM 975 CB MET A 129 34.891 49.694 30.804 1.00 66.17 C +ATOM 976 CG MET A 129 35.462 48.309 30.594 1.00 58.19 C +ATOM 977 SD MET A 129 37.116 48.173 31.252 1.00 47.89 S +ATOM 978 CE MET A 129 36.823 48.247 33.033 1.00 56.27 C +ATOM 979 OXT MET A 129 33.079 52.217 29.813 1.00 72.12 O +TER 980 MET A 129 +END diff --git a/bench/main_benchmark/structures/SFB_AL_DHFR_1RX1A_1RX4A/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_DHFR_1RX1A_1RX4A/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..24e08d63996faf3c565a054df0092f5604268500 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_DHFR_1RX1A_1RX4A/state_a.pdb @@ -0,0 +1,1270 @@ +ATOM 1 N MET A 1 12.284 42.763 10.037 1.00 15.67 N +ATOM 2 CA MET A 1 13.039 42.249 11.169 1.00 22.34 C +ATOM 3 C MET A 1 14.463 42.676 11.106 1.00 13.33 C +ATOM 4 O MET A 1 15.086 42.541 10.088 1.00 20.18 O +ATOM 5 CB MET A 1 12.961 40.710 11.174 1.00 30.79 C +ATOM 6 CG MET A 1 13.589 39.989 12.350 1.00 41.28 C +ATOM 7 SD MET A 1 14.460 38.553 11.659 1.00 53.22 S +ATOM 8 CE MET A 1 15.212 39.482 10.276 1.00 55.67 C +ATOM 9 N ILE A 2 14.934 43.154 12.235 1.00 7.74 N +ATOM 10 CA ILE A 2 16.279 43.629 12.431 1.00 3.94 C +ATOM 11 C ILE A 2 17.215 42.663 13.112 1.00 5.88 C +ATOM 12 O ILE A 2 16.919 42.055 14.135 1.00 13.77 O +ATOM 13 CB ILE A 2 16.045 44.814 13.291 1.00 10.15 C +ATOM 14 CG1 ILE A 2 15.063 45.663 12.445 1.00 11.60 C +ATOM 15 CG2 ILE A 2 17.386 45.409 13.669 1.00 11.43 C +ATOM 16 CD1 ILE A 2 14.818 47.031 12.981 1.00 7.91 C +ATOM 17 N SER A 3 18.365 42.511 12.557 1.00 3.33 N +ATOM 18 CA SER A 3 19.321 41.611 13.121 1.00 3.18 C +ATOM 19 C SER A 3 20.601 42.344 13.326 1.00 10.13 C +ATOM 20 O SER A 3 20.868 43.266 12.577 1.00 12.19 O +ATOM 21 CB SER A 3 19.593 40.527 12.100 1.00 9.07 C +ATOM 22 OG SER A 3 18.371 39.800 11.817 1.00 10.34 O +ATOM 23 N LEU A 4 21.384 41.927 14.310 1.00 1.00 N +ATOM 24 CA LEU A 4 22.620 42.562 14.547 1.00 2.30 C +ATOM 25 C LEU A 4 23.659 41.568 14.268 1.00 4.79 C +ATOM 26 O LEU A 4 23.440 40.439 14.667 1.00 8.76 O +ATOM 27 CB LEU A 4 22.780 42.878 16.073 1.00 12.49 C +ATOM 28 CG LEU A 4 22.325 44.320 16.444 1.00 17.75 C +ATOM 29 CD1 LEU A 4 20.873 44.585 16.065 1.00 9.38 C +ATOM 30 CD2 LEU A 4 22.473 44.550 17.928 1.00 14.85 C +ATOM 31 N ILE A 5 24.784 41.969 13.625 1.00 4.33 N +ATOM 32 CA ILE A 5 25.853 41.009 13.393 1.00 4.93 C +ATOM 33 C ILE A 5 27.126 41.640 13.937 1.00 8.97 C +ATOM 34 O ILE A 5 27.444 42.774 13.583 1.00 9.74 O +ATOM 35 CB ILE A 5 25.979 40.599 11.897 1.00 7.63 C +ATOM 36 CG1 ILE A 5 27.110 39.590 11.657 1.00 12.19 C +ATOM 37 CG2 ILE A 5 26.174 41.845 11.032 1.00 8.98 C +ATOM 38 CD1 ILE A 5 26.878 38.690 10.419 1.00 7.23 C +ATOM 39 N ALA A 6 27.886 40.915 14.792 1.00 3.37 N +ATOM 40 CA ALA A 6 29.117 41.458 15.324 1.00 4.27 C +ATOM 41 C ALA A 6 30.070 40.376 15.726 1.00 1.88 C +ATOM 42 O ALA A 6 29.623 39.265 15.961 1.00 8.48 O +ATOM 43 CB ALA A 6 28.803 42.307 16.576 1.00 3.35 C +ATOM 44 N ALA A 7 31.364 40.684 15.833 1.00 3.64 N +ATOM 45 CA ALA A 7 32.383 39.712 16.259 1.00 7.31 C +ATOM 46 C ALA A 7 32.862 40.250 17.623 1.00 15.49 C +ATOM 47 O ALA A 7 33.201 41.440 17.726 1.00 10.20 O +ATOM 48 CB ALA A 7 33.562 39.617 15.319 1.00 5.57 C +ATOM 49 N LEU A 8 32.887 39.410 18.647 1.00 8.92 N +ATOM 50 CA LEU A 8 33.301 39.821 19.965 1.00 6.06 C +ATOM 51 C LEU A 8 34.442 39.026 20.538 1.00 6.67 C +ATOM 52 O LEU A 8 34.433 37.839 20.477 1.00 13.09 O +ATOM 53 CB LEU A 8 32.146 39.481 20.975 1.00 7.60 C +ATOM 54 CG LEU A 8 31.013 40.485 21.227 1.00 12.74 C +ATOM 55 CD1 LEU A 8 30.316 40.869 19.947 1.00 21.39 C +ATOM 56 CD2 LEU A 8 29.999 39.811 22.138 1.00 7.33 C +ATOM 57 N ALA A 9 35.392 39.702 21.152 1.00 9.04 N +ATOM 58 CA ALA A 9 36.479 39.075 21.790 1.00 6.26 C +ATOM 59 C ALA A 9 36.122 39.003 23.280 1.00 15.47 C +ATOM 60 O ALA A 9 35.006 39.255 23.726 1.00 9.66 O +ATOM 61 CB ALA A 9 37.749 39.839 21.618 1.00 8.62 C +ATOM 62 N VAL A 10 37.097 38.640 24.034 1.00 15.94 N +ATOM 63 CA VAL A 10 36.944 38.525 25.440 1.00 15.09 C +ATOM 64 C VAL A 10 36.468 39.877 26.004 1.00 23.75 C +ATOM 65 O VAL A 10 36.970 40.996 25.673 1.00 18.06 O +ATOM 66 CB VAL A 10 38.306 38.102 25.977 1.00 19.30 C +ATOM 67 CG1 VAL A 10 38.341 38.257 27.466 1.00 25.38 C +ATOM 68 CG2 VAL A 10 38.626 36.645 25.612 1.00 10.82 C +ATOM 69 N ASP A 11 35.460 39.786 26.862 1.00 18.63 N +ATOM 70 CA ASP A 11 34.938 40.984 27.440 1.00 24.11 C +ATOM 71 C ASP A 11 34.083 41.833 26.535 1.00 15.02 C +ATOM 72 O ASP A 11 33.922 42.989 26.799 1.00 18.02 O +ATOM 73 CB ASP A 11 35.998 41.758 28.189 1.00 44.82 C +ATOM 74 CG ASP A 11 36.381 41.036 29.465 1.00 64.32 C +ATOM 75 OD1 ASP A 11 35.614 40.288 30.073 1.00 68.25 O +ATOM 76 OD2 ASP A 11 37.599 41.340 29.878 1.00 73.28 O +ATOM 77 N ARG A 12 33.542 41.218 25.489 1.00 11.63 N +ATOM 78 CA ARG A 12 32.665 41.858 24.508 1.00 10.38 C +ATOM 79 C ARG A 12 33.385 42.921 23.761 1.00 11.97 C +ATOM 80 O ARG A 12 32.763 43.848 23.177 1.00 12.18 O +ATOM 81 CB ARG A 12 31.530 42.538 25.215 1.00 14.95 C +ATOM 82 CG ARG A 12 30.485 41.583 25.780 1.00 17.21 C +ATOM 83 CD ARG A 12 29.155 42.308 26.079 1.00 23.41 C +ATOM 84 NE ARG A 12 29.221 42.854 27.406 1.00 32.02 N +ATOM 85 CZ ARG A 12 29.215 44.085 27.831 1.00 35.08 C +ATOM 86 NH1 ARG A 12 29.106 45.157 27.072 1.00 35.56 N +ATOM 87 NH2 ARG A 12 29.316 44.222 29.131 1.00 43.00 N +ATOM 88 N VAL A 13 34.710 42.826 23.792 1.00 6.63 N +ATOM 89 CA VAL A 13 35.437 43.843 23.057 1.00 5.35 C +ATOM 90 C VAL A 13 35.122 43.718 21.577 1.00 13.49 C +ATOM 91 O VAL A 13 35.257 42.629 20.987 1.00 13.86 O +ATOM 92 CB VAL A 13 36.936 43.710 23.228 1.00 5.61 C +ATOM 93 CG1 VAL A 13 37.594 44.650 22.220 1.00 2.27 C +ATOM 94 CG2 VAL A 13 37.263 44.269 24.618 1.00 6.66 C +ATOM 95 N ILE A 14 34.707 44.820 20.957 1.00 10.74 N +ATOM 96 CA ILE A 14 34.438 44.736 19.527 1.00 8.46 C +ATOM 97 C ILE A 14 35.328 45.629 18.710 1.00 16.65 C +ATOM 98 O ILE A 14 35.407 45.508 17.474 1.00 17.50 O +ATOM 99 CB ILE A 14 33.042 45.028 19.111 1.00 7.97 C +ATOM 100 CG1 ILE A 14 32.698 46.489 19.363 1.00 9.01 C +ATOM 101 CG2 ILE A 14 32.059 44.107 19.766 1.00 4.37 C +ATOM 102 CD1 ILE A 14 31.178 46.683 19.212 1.00 12.37 C +ATOM 103 N GLY A 15 36.020 46.549 19.354 1.00 13.06 N +ATOM 104 CA GLY A 15 36.843 47.336 18.495 1.00 26.80 C +ATOM 105 C GLY A 15 37.921 48.061 19.251 1.00 36.55 C +ATOM 106 O GLY A 15 37.822 48.244 20.472 1.00 26.73 O +ATOM 107 N MET A 16 38.924 48.473 18.465 1.00 42.48 N +ATOM 108 CA MET A 16 40.037 49.194 18.991 1.00 43.75 C +ATOM 109 C MET A 16 40.583 50.187 17.994 1.00 39.48 C +ATOM 110 O MET A 16 41.205 49.869 16.931 1.00 27.91 O +ATOM 111 CB MET A 16 41.120 48.303 19.611 1.00 53.85 C +ATOM 112 CG MET A 16 42.282 48.003 18.691 1.00 68.47 C +ATOM 113 SD MET A 16 43.722 48.978 19.176 1.00 82.07 S +ATOM 114 CE MET A 16 44.771 48.861 17.682 1.00 85.31 C +ATOM 115 N GLU A 17 40.308 51.418 18.401 1.00 36.35 N +ATOM 116 CA GLU A 17 40.736 52.531 17.644 1.00 40.46 C +ATOM 117 C GLU A 17 40.355 52.404 16.207 1.00 44.11 C +ATOM 118 O GLU A 17 41.247 52.383 15.329 1.00 40.78 O +ATOM 119 CB GLU A 17 42.247 52.590 17.753 1.00 43.27 C +ATOM 120 CG GLU A 17 42.589 53.274 19.061 1.00 52.17 C +ATOM 121 CD GLU A 17 44.054 53.230 19.217 1.00 60.56 C +ATOM 122 OE1 GLU A 17 44.738 52.466 18.540 1.00 60.16 O +ATOM 123 OE2 GLU A 17 44.491 54.115 20.093 1.00 63.33 O +ATOM 124 N ASN A 18 39.032 52.299 16.021 1.00 46.92 N +ATOM 125 CA ASN A 18 38.356 52.158 14.718 1.00 51.58 C +ATOM 126 C ASN A 18 38.899 50.969 13.861 1.00 48.30 C +ATOM 127 O ASN A 18 38.915 50.994 12.637 1.00 45.85 O +ATOM 128 CB ASN A 18 37.987 53.530 14.010 1.00 52.13 C +ATOM 129 CG ASN A 18 36.694 53.661 13.158 1.00 55.75 C +ATOM 130 OD1 ASN A 18 36.555 54.623 12.350 1.00 56.86 O +ATOM 131 ND2 ASN A 18 35.721 52.755 13.338 1.00 53.71 N +ATOM 132 N ALA A 19 39.341 49.905 14.539 1.00 42.82 N +ATOM 133 CA ALA A 19 39.853 48.742 13.867 1.00 41.14 C +ATOM 134 C ALA A 19 39.546 47.508 14.694 1.00 41.18 C +ATOM 135 O ALA A 19 39.374 47.618 15.904 1.00 38.96 O +ATOM 136 CB ALA A 19 41.357 48.844 13.668 1.00 37.08 C +ATOM 137 N MET A 20 39.470 46.361 14.009 1.00 43.79 N +ATOM 138 CA MET A 20 39.226 45.072 14.630 1.00 53.02 C +ATOM 139 C MET A 20 40.667 44.532 14.672 1.00 58.97 C +ATOM 140 O MET A 20 41.306 44.497 13.622 1.00 65.54 O +ATOM 141 CB MET A 20 38.239 44.193 13.806 1.00 56.58 C +ATOM 142 CG MET A 20 36.793 44.724 13.684 1.00 58.40 C +ATOM 143 SD MET A 20 35.586 43.592 12.868 1.00 57.02 S +ATOM 144 CE MET A 20 36.600 42.902 11.541 1.00 57.06 C +ATOM 145 N PRO A 21 41.220 44.150 15.839 1.00 54.19 N +ATOM 146 CA PRO A 21 42.623 43.663 15.939 1.00 50.73 C +ATOM 147 C PRO A 21 43.089 42.335 15.300 1.00 54.88 C +ATOM 148 O PRO A 21 44.140 42.248 14.626 1.00 58.09 O +ATOM 149 CB PRO A 21 42.971 43.732 17.418 1.00 45.09 C +ATOM 150 CG PRO A 21 41.938 44.671 18.069 1.00 45.10 C +ATOM 151 CD PRO A 21 40.753 44.780 17.118 1.00 47.05 C +ATOM 152 N TRP A 22 42.296 41.307 15.520 1.00 51.23 N +ATOM 153 CA TRP A 22 42.516 39.943 15.042 1.00 49.43 C +ATOM 154 C TRP A 22 42.473 39.704 13.506 1.00 54.55 C +ATOM 155 O TRP A 22 42.222 40.612 12.726 1.00 59.56 O +ATOM 156 CB TRP A 22 41.422 39.147 15.770 1.00 36.82 C +ATOM 157 CG TRP A 22 40.052 39.671 15.461 1.00 27.70 C +ATOM 158 CD1 TRP A 22 39.379 39.534 14.280 1.00 30.79 C +ATOM 159 CD2 TRP A 22 39.183 40.396 16.314 1.00 23.04 C +ATOM 160 NE1 TRP A 22 38.123 40.113 14.351 1.00 32.49 N +ATOM 161 CE2 TRP A 22 37.980 40.644 15.592 1.00 29.91 C +ATOM 162 CE3 TRP A 22 39.311 40.851 17.610 1.00 22.91 C +ATOM 163 CZ2 TRP A 22 36.922 41.354 16.143 1.00 36.37 C +ATOM 164 CZ3 TRP A 22 38.255 41.537 18.170 1.00 28.62 C +ATOM 165 CH2 TRP A 22 37.070 41.796 17.458 1.00 34.42 C +ATOM 166 N ASN A 23 42.712 38.472 13.046 1.00 54.56 N +ATOM 167 CA ASN A 23 42.654 38.191 11.611 1.00 56.20 C +ATOM 168 C ASN A 23 41.872 36.904 11.464 1.00 43.84 C +ATOM 169 O ASN A 23 42.451 35.818 11.468 1.00 45.33 O +ATOM 170 CB ASN A 23 44.022 38.151 10.866 1.00 68.23 C +ATOM 171 CG ASN A 23 43.977 37.907 9.347 1.00 74.35 C +ATOM 172 OD1 ASN A 23 43.014 38.264 8.644 1.00 76.26 O +ATOM 173 ND2 ASN A 23 45.026 37.270 8.827 1.00 76.17 N +ATOM 174 N LEU A 24 40.546 37.064 11.343 1.00 32.11 N +ATOM 175 CA LEU A 24 39.669 35.936 11.217 1.00 21.07 C +ATOM 176 C LEU A 24 38.844 35.747 9.973 1.00 18.40 C +ATOM 177 O LEU A 24 37.631 35.949 9.904 1.00 18.32 O +ATOM 178 CB LEU A 24 38.706 35.883 12.349 1.00 19.65 C +ATOM 179 CG LEU A 24 39.229 35.329 13.621 1.00 25.40 C +ATOM 180 CD1 LEU A 24 37.989 35.393 14.458 1.00 33.80 C +ATOM 181 CD2 LEU A 24 39.511 33.849 13.508 1.00 20.03 C +ATOM 182 N PRO A 25 39.518 35.276 8.997 1.00 20.51 N +ATOM 183 CA PRO A 25 38.956 35.002 7.723 1.00 17.54 C +ATOM 184 C PRO A 25 37.696 34.112 7.750 1.00 22.99 C +ATOM 185 O PRO A 25 36.791 34.232 6.885 1.00 31.23 O +ATOM 186 CB PRO A 25 40.117 34.405 6.932 1.00 18.63 C +ATOM 187 CG PRO A 25 41.385 34.539 7.782 1.00 18.62 C +ATOM 188 CD PRO A 25 40.946 34.954 9.156 1.00 17.19 C +ATOM 189 N ALA A 26 37.595 33.193 8.713 1.00 14.15 N +ATOM 190 CA ALA A 26 36.387 32.376 8.698 1.00 12.51 C +ATOM 191 C ALA A 26 35.258 33.317 9.021 1.00 4.90 C +ATOM 192 O ALA A 26 34.143 33.183 8.572 1.00 14.39 O +ATOM 193 CB ALA A 26 36.510 31.227 9.691 1.00 15.43 C +ATOM 194 N ASP A 27 35.599 34.326 9.833 1.00 8.50 N +ATOM 195 CA ASP A 27 34.651 35.360 10.242 1.00 16.42 C +ATOM 196 C ASP A 27 34.218 36.233 9.056 1.00 10.54 C +ATOM 197 O ASP A 27 33.044 36.533 8.884 1.00 17.16 O +ATOM 198 CB ASP A 27 35.047 36.240 11.473 1.00 15.98 C +ATOM 199 CG ASP A 27 33.882 37.062 11.930 1.00 17.38 C +ATOM 200 OD1 ASP A 27 32.820 36.599 12.339 1.00 18.68 O +ATOM 201 OD2 ASP A 27 34.093 38.341 11.746 1.00 22.06 O +ATOM 202 N LEU A 28 35.158 36.627 8.223 1.00 12.10 N +ATOM 203 CA LEU A 28 34.748 37.441 7.067 1.00 17.92 C +ATOM 204 C LEU A 28 33.786 36.692 6.178 1.00 7.96 C +ATOM 205 O LEU A 28 32.831 37.253 5.634 1.00 10.72 O +ATOM 206 CB LEU A 28 35.970 37.975 6.269 1.00 28.75 C +ATOM 207 CG LEU A 28 36.945 38.581 7.266 1.00 37.35 C +ATOM 208 CD1 LEU A 28 38.341 38.800 6.695 1.00 39.65 C +ATOM 209 CD2 LEU A 28 36.376 39.881 7.840 1.00 42.21 C +ATOM 210 N ALA A 29 34.034 35.382 5.999 1.00 12.78 N +ATOM 211 CA ALA A 29 33.154 34.583 5.161 1.00 18.22 C +ATOM 212 C ALA A 29 31.783 34.458 5.823 1.00 16.80 C +ATOM 213 O ALA A 29 30.704 34.367 5.209 1.00 13.61 O +ATOM 214 CB ALA A 29 33.785 33.215 5.065 1.00 17.72 C +ATOM 215 N TRP A 30 31.798 34.426 7.141 1.00 11.12 N +ATOM 216 CA TRP A 30 30.504 34.321 7.799 1.00 6.26 C +ATOM 217 C TRP A 30 29.740 35.608 7.625 1.00 2.64 C +ATOM 218 O TRP A 30 28.561 35.632 7.262 1.00 4.52 O +ATOM 219 CB TRP A 30 30.727 34.032 9.274 1.00 8.59 C +ATOM 220 CG TRP A 30 29.602 34.176 10.254 1.00 9.24 C +ATOM 221 CD1 TRP A 30 29.421 35.232 11.076 1.00 12.50 C +ATOM 222 CD2 TRP A 30 28.580 33.259 10.575 1.00 13.76 C +ATOM 223 NE1 TRP A 30 28.356 35.035 11.879 1.00 9.99 N +ATOM 224 CE2 TRP A 30 27.812 33.836 11.581 1.00 11.11 C +ATOM 225 CE3 TRP A 30 28.262 32.006 10.108 1.00 12.25 C +ATOM 226 CZ2 TRP A 30 26.729 33.196 12.143 1.00 10.76 C +ATOM 227 CZ3 TRP A 30 27.189 31.395 10.639 1.00 12.69 C +ATOM 228 CH2 TRP A 30 26.437 31.960 11.647 1.00 9.21 C +ATOM 229 N PHE A 31 30.424 36.711 7.898 1.00 5.82 N +ATOM 230 CA PHE A 31 29.744 37.981 7.740 1.00 2.43 C +ATOM 231 C PHE A 31 29.153 38.163 6.326 1.00 9.87 C +ATOM 232 O PHE A 31 27.992 38.546 6.119 1.00 10.52 O +ATOM 233 CB PHE A 31 30.812 39.063 7.778 1.00 10.36 C +ATOM 234 CG PHE A 31 30.285 40.462 7.559 1.00 18.07 C +ATOM 235 CD1 PHE A 31 29.654 41.148 8.592 1.00 21.22 C +ATOM 236 CD2 PHE A 31 30.440 41.122 6.339 1.00 20.84 C +ATOM 237 CE1 PHE A 31 29.161 42.437 8.416 1.00 10.45 C +ATOM 238 CE2 PHE A 31 29.960 42.413 6.140 1.00 12.74 C +ATOM 239 CZ PHE A 31 29.323 43.070 7.186 1.00 15.82 C +ATOM 240 N LYS A 32 30.019 37.885 5.338 1.00 11.00 N +ATOM 241 CA LYS A 32 29.608 38.044 3.951 1.00 13.00 C +ATOM 242 C LYS A 32 28.388 37.291 3.659 1.00 18.67 C +ATOM 243 O LYS A 32 27.460 37.821 3.111 1.00 22.69 O +ATOM 244 CB LYS A 32 30.656 37.611 2.921 1.00 24.81 C +ATOM 245 CG LYS A 32 30.026 37.485 1.502 1.00 35.50 C +ATOM 246 CD LYS A 32 31.072 37.425 0.381 1.00 46.44 C +ATOM 247 CE LYS A 32 30.529 37.515 -1.045 1.00 56.01 C +ATOM 248 NZ LYS A 32 31.558 37.179 -2.057 1.00 60.23 N +ATOM 249 N ARG A 33 28.406 36.037 4.050 1.00 11.74 N +ATOM 250 CA ARG A 33 27.303 35.209 3.824 1.00 8.33 C +ATOM 251 C ARG A 33 26.060 35.625 4.498 1.00 11.53 C +ATOM 252 O ARG A 33 24.943 35.455 3.934 1.00 8.32 O +ATOM 253 CB ARG A 33 27.706 33.771 4.080 1.00 24.18 C +ATOM 254 CG ARG A 33 26.637 32.873 4.676 1.00 35.19 C +ATOM 255 CD ARG A 33 27.196 31.456 4.838 1.00 46.79 C +ATOM 256 NE ARG A 33 28.071 31.296 6.000 1.00 57.28 N +ATOM 257 CZ ARG A 33 29.401 31.219 5.963 1.00 66.01 C +ATOM 258 NH1 ARG A 33 30.074 31.278 4.813 1.00 71.09 N +ATOM 259 NH2 ARG A 33 30.079 31.065 7.109 1.00 64.63 N +ATOM 260 N ASN A 34 26.182 36.179 5.708 1.00 8.00 N +ATOM 261 CA ASN A 34 24.902 36.543 6.318 1.00 6.41 C +ATOM 262 C ASN A 34 24.383 37.902 5.877 1.00 10.70 C +ATOM 263 O ASN A 34 23.203 38.164 6.059 1.00 14.56 O +ATOM 264 CB ASN A 34 24.895 36.424 7.833 1.00 7.53 C +ATOM 265 CG ASN A 34 24.960 34.965 8.306 1.00 13.10 C +ATOM 266 OD1 ASN A 34 24.064 34.140 8.022 1.00 16.20 O +ATOM 267 ND2 ASN A 34 26.080 34.620 8.904 1.00 12.93 N +ATOM 268 N THR A 35 25.269 38.738 5.329 1.00 4.32 N +ATOM 269 CA THR A 35 24.865 40.078 4.886 1.00 8.95 C +ATOM 270 C THR A 35 24.490 40.270 3.377 1.00 15.27 C +ATOM 271 O THR A 35 23.764 41.189 2.955 1.00 8.22 O +ATOM 272 CB THR A 35 25.931 41.084 5.279 1.00 6.09 C +ATOM 273 OG1 THR A 35 27.208 40.686 4.813 1.00 11.44 O +ATOM 274 CG2 THR A 35 25.900 41.235 6.799 1.00 4.82 C +ATOM 275 N LEU A 36 25.009 39.402 2.555 1.00 7.65 N +ATOM 276 CA LEU A 36 24.768 39.428 1.121 1.00 18.56 C +ATOM 277 C LEU A 36 23.323 39.620 0.699 1.00 13.16 C +ATOM 278 O LEU A 36 22.418 38.862 1.080 1.00 13.79 O +ATOM 279 CB LEU A 36 25.232 38.120 0.451 1.00 23.93 C +ATOM 280 CG LEU A 36 25.449 38.383 -1.047 1.00 33.84 C +ATOM 281 CD1 LEU A 36 26.157 39.741 -1.252 1.00 33.11 C +ATOM 282 CD2 LEU A 36 26.267 37.263 -1.666 1.00 33.79 C +ATOM 283 N ASP A 37 23.115 40.642 -0.115 1.00 9.67 N +ATOM 284 CA ASP A 37 21.769 40.944 -0.633 1.00 7.26 C +ATOM 285 C ASP A 37 20.766 41.485 0.352 1.00 14.54 C +ATOM 286 O ASP A 37 19.539 41.349 0.148 1.00 17.33 O +ATOM 287 CB ASP A 37 21.180 39.775 -1.447 1.00 13.18 C +ATOM 288 CG ASP A 37 22.056 39.432 -2.614 1.00 22.37 C +ATOM 289 OD1 ASP A 37 22.666 40.280 -3.281 1.00 24.33 O +ATOM 290 OD2 ASP A 37 22.255 38.140 -2.701 1.00 25.45 O +ATOM 291 N LYS A 38 21.266 42.108 1.432 1.00 8.27 N +ATOM 292 CA LYS A 38 20.353 42.674 2.411 1.00 6.33 C +ATOM 293 C LYS A 38 20.884 44.038 2.662 1.00 6.70 C +ATOM 294 O LYS A 38 22.050 44.293 2.400 1.00 15.85 O +ATOM 295 CB LYS A 38 20.314 41.939 3.780 1.00 11.88 C +ATOM 296 CG LYS A 38 20.213 40.415 3.680 1.00 8.62 C +ATOM 297 CD LYS A 38 20.057 39.647 4.973 1.00 6.24 C +ATOM 298 CE LYS A 38 20.448 38.182 4.776 1.00 13.48 C +ATOM 299 NZ LYS A 38 20.491 37.337 6.026 1.00 17.55 N +ATOM 300 N PRO A 39 20.042 44.891 3.196 1.00 6.39 N +ATOM 301 CA PRO A 39 20.483 46.215 3.494 1.00 9.43 C +ATOM 302 C PRO A 39 21.269 46.152 4.789 1.00 14.83 C +ATOM 303 O PRO A 39 20.952 45.341 5.682 1.00 9.96 O +ATOM 304 CB PRO A 39 19.216 47.041 3.744 1.00 12.08 C +ATOM 305 CG PRO A 39 18.018 46.097 3.682 1.00 6.71 C +ATOM 306 CD PRO A 39 18.564 44.725 3.341 1.00 5.91 C +ATOM 307 N VAL A 40 22.273 47.011 4.887 1.00 9.82 N +ATOM 308 CA VAL A 40 23.087 47.077 6.064 1.00 4.85 C +ATOM 309 C VAL A 40 23.080 48.506 6.592 1.00 12.74 C +ATOM 310 O VAL A 40 23.211 49.462 5.805 1.00 8.79 O +ATOM 311 CB VAL A 40 24.527 46.695 5.790 1.00 2.70 C +ATOM 312 CG1 VAL A 40 24.635 45.242 5.534 1.00 5.31 C +ATOM 313 CG2 VAL A 40 25.175 47.378 4.605 1.00 9.85 C +ATOM 314 N ILE A 41 22.913 48.628 7.928 1.00 13.40 N +ATOM 315 CA ILE A 41 22.926 49.894 8.611 1.00 7.65 C +ATOM 316 C ILE A 41 24.199 49.926 9.396 1.00 6.53 C +ATOM 317 O ILE A 41 24.613 48.956 10.081 1.00 5.46 O +ATOM 318 CB ILE A 41 21.693 50.165 9.491 1.00 8.39 C +ATOM 319 CG1 ILE A 41 20.426 49.992 8.646 1.00 6.08 C +ATOM 320 CG2 ILE A 41 21.757 51.590 10.058 1.00 5.98 C +ATOM 321 CD1 ILE A 41 19.094 50.227 9.385 1.00 6.84 C +ATOM 322 N MET A 42 24.858 51.033 9.328 1.00 1.00 N +ATOM 323 CA MET A 42 26.100 51.184 10.060 1.00 1.00 C +ATOM 324 C MET A 42 26.233 52.667 10.501 1.00 10.91 C +ATOM 325 O MET A 42 25.522 53.593 9.992 1.00 7.56 O +ATOM 326 CB MET A 42 27.262 50.857 9.137 1.00 4.48 C +ATOM 327 CG MET A 42 27.607 51.923 8.106 1.00 2.50 C +ATOM 328 SD MET A 42 28.874 51.309 6.930 1.00 13.94 S +ATOM 329 CE MET A 42 27.703 50.538 5.764 1.00 15.62 C +ATOM 330 N GLY A 43 27.109 52.887 11.475 1.00 3.61 N +ATOM 331 CA GLY A 43 27.344 54.216 11.981 1.00 6.99 C +ATOM 332 C GLY A 43 28.457 54.870 11.168 1.00 10.52 C +ATOM 333 O GLY A 43 29.220 54.162 10.455 1.00 2.25 O +ATOM 334 N ARG A 44 28.573 56.211 11.273 1.00 10.28 N +ATOM 335 CA ARG A 44 29.617 56.932 10.555 1.00 9.02 C +ATOM 336 C ARG A 44 31.040 56.445 10.853 1.00 8.24 C +ATOM 337 O ARG A 44 31.876 56.348 9.978 1.00 8.88 O +ATOM 338 CB ARG A 44 29.476 58.450 10.669 1.00 15.18 C +ATOM 339 CG ARG A 44 30.415 59.202 9.698 1.00 26.97 C +ATOM 340 CD ARG A 44 30.437 60.740 9.901 1.00 27.43 C +ATOM 341 NE ARG A 44 30.675 61.130 11.311 1.00 29.36 N +ATOM 342 CZ ARG A 44 31.863 61.186 11.995 1.00 34.86 C +ATOM 343 NH1 ARG A 44 33.044 60.874 11.469 1.00 32.22 N +ATOM 344 NH2 ARG A 44 31.860 61.567 13.289 1.00 37.48 N +ATOM 345 N HIS A 45 31.404 56.097 12.081 1.00 9.65 N +ATOM 346 CA HIS A 45 32.791 55.648 12.246 1.00 14.10 C +ATOM 347 C HIS A 45 33.066 54.358 11.537 1.00 16.67 C +ATOM 348 O HIS A 45 34.162 54.157 11.010 1.00 8.36 O +ATOM 349 CB HIS A 45 33.197 55.423 13.694 1.00 21.95 C +ATOM 350 CG HIS A 45 32.974 56.676 14.399 1.00 31.93 C +ATOM 351 ND1 HIS A 45 33.777 57.781 14.128 1.00 39.76 N +ATOM 352 CD2 HIS A 45 32.048 57.011 15.314 1.00 35.21 C +ATOM 353 CE1 HIS A 45 33.337 58.756 14.904 1.00 38.29 C +ATOM 354 NE2 HIS A 45 32.305 58.330 15.623 1.00 36.15 N +ATOM 355 N THR A 46 32.043 53.512 11.535 1.00 15.00 N +ATOM 356 CA THR A 46 32.201 52.257 10.875 1.00 12.16 C +ATOM 357 C THR A 46 32.344 52.491 9.332 1.00 9.27 C +ATOM 358 O THR A 46 33.171 51.894 8.630 1.00 12.89 O +ATOM 359 CB THR A 46 31.041 51.328 11.316 1.00 13.96 C +ATOM 360 OG1 THR A 46 31.112 51.002 12.726 1.00 11.23 O +ATOM 361 CG2 THR A 46 31.028 50.081 10.452 1.00 15.68 C +ATOM 362 N TRP A 47 31.549 53.403 8.805 1.00 9.00 N +ATOM 363 CA TRP A 47 31.583 53.748 7.401 1.00 4.22 C +ATOM 364 C TRP A 47 32.983 54.168 7.014 1.00 8.12 C +ATOM 365 O TRP A 47 33.616 53.649 6.077 1.00 16.11 O +ATOM 366 CB TRP A 47 30.543 54.869 7.040 1.00 3.86 C +ATOM 367 CG TRP A 47 30.757 55.556 5.677 1.00 9.97 C +ATOM 368 CD1 TRP A 47 30.970 56.902 5.477 1.00 16.09 C +ATOM 369 CD2 TRP A 47 30.824 54.951 4.353 1.00 9.57 C +ATOM 370 NE1 TRP A 47 31.179 57.171 4.149 1.00 19.56 N +ATOM 371 CE2 TRP A 47 31.080 55.999 3.422 1.00 14.09 C +ATOM 372 CE3 TRP A 47 30.723 53.636 3.892 1.00 12.28 C +ATOM 373 CZ2 TRP A 47 31.222 55.767 2.054 1.00 8.58 C +ATOM 374 CZ3 TRP A 47 30.866 53.410 2.551 1.00 10.19 C +ATOM 375 CH2 TRP A 47 31.097 54.478 1.642 1.00 14.30 C +ATOM 376 N GLU A 48 33.498 55.129 7.757 1.00 9.92 N +ATOM 377 CA GLU A 48 34.827 55.617 7.475 1.00 15.76 C +ATOM 378 C GLU A 48 35.884 54.551 7.407 1.00 25.89 C +ATOM 379 O GLU A 48 36.727 54.520 6.489 1.00 29.86 O +ATOM 380 CB GLU A 48 35.223 56.836 8.342 1.00 15.09 C +ATOM 381 CG GLU A 48 34.118 57.910 8.225 1.00 17.90 C +ATOM 382 CD GLU A 48 34.350 59.175 9.022 1.00 28.88 C +ATOM 383 OE1 GLU A 48 35.039 59.226 10.033 1.00 31.19 O +ATOM 384 OE2 GLU A 48 33.591 60.174 8.603 1.00 33.57 O +ATOM 385 N SER A 49 35.855 53.658 8.376 1.00 26.31 N +ATOM 386 CA SER A 49 36.863 52.638 8.332 1.00 24.93 C +ATOM 387 C SER A 49 36.650 51.693 7.142 1.00 28.29 C +ATOM 388 O SER A 49 37.606 51.144 6.620 1.00 36.23 O +ATOM 389 CB SER A 49 36.999 51.867 9.633 1.00 22.67 C +ATOM 390 OG SER A 49 36.122 50.791 9.502 1.00 27.05 O +ATOM 391 N ILE A 50 35.421 51.467 6.673 1.00 23.78 N +ATOM 392 CA ILE A 50 35.326 50.560 5.547 1.00 15.38 C +ATOM 393 C ILE A 50 35.737 51.259 4.251 1.00 23.85 C +ATOM 394 O ILE A 50 36.291 50.656 3.353 1.00 30.06 O +ATOM 395 CB ILE A 50 34.135 49.601 5.553 1.00 19.53 C +ATOM 396 CG1 ILE A 50 33.383 49.673 4.276 1.00 30.25 C +ATOM 397 CG2 ILE A 50 33.130 49.924 6.641 1.00 26.90 C +ATOM 398 CD1 ILE A 50 31.969 50.164 4.524 1.00 34.87 C +ATOM 399 N GLY A 51 35.483 52.562 4.165 1.00 16.27 N +ATOM 400 CA GLY A 51 35.825 53.412 3.034 1.00 21.18 C +ATOM 401 C GLY A 51 35.125 53.270 1.670 1.00 32.29 C +ATOM 402 O GLY A 51 35.116 54.238 0.888 1.00 34.64 O +ATOM 403 N ARG A 52 34.552 52.084 1.368 1.00 32.70 N +ATOM 404 CA ARG A 52 33.850 51.814 0.118 1.00 30.41 C +ATOM 405 C ARG A 52 32.602 51.008 0.396 1.00 24.91 C +ATOM 406 O ARG A 52 32.616 50.108 1.249 1.00 21.08 O +ATOM 407 CB ARG A 52 34.683 50.944 -0.778 1.00 36.91 C +ATOM 408 CG ARG A 52 34.030 50.863 -2.125 1.00 55.48 C +ATOM 409 CD ARG A 52 34.987 50.244 -3.119 1.00 74.10 C +ATOM 410 NE ARG A 52 34.857 50.816 -4.451 1.00 85.29 N +ATOM 411 CZ ARG A 52 34.463 50.132 -5.516 1.00 89.05 C +ATOM 412 NH1 ARG A 52 34.157 48.840 -5.459 1.00 90.27 N +ATOM 413 NH2 ARG A 52 34.391 50.774 -6.668 1.00 89.75 N +ATOM 414 N PRO A 53 31.535 51.298 -0.319 1.00 16.34 N +ATOM 415 CA PRO A 53 30.309 50.549 -0.076 1.00 14.71 C +ATOM 416 C PRO A 53 30.438 49.031 -0.135 1.00 15.06 C +ATOM 417 O PRO A 53 31.223 48.467 -0.885 1.00 12.97 O +ATOM 418 CB PRO A 53 29.317 51.003 -1.147 1.00 18.86 C +ATOM 419 CG PRO A 53 29.926 52.233 -1.842 1.00 14.41 C +ATOM 420 CD PRO A 53 31.404 52.255 -1.473 1.00 12.79 C +ATOM 421 N LEU A 54 29.655 48.345 0.679 1.00 11.80 N +ATOM 422 CA LEU A 54 29.730 46.913 0.611 1.00 15.18 C +ATOM 423 C LEU A 54 28.889 46.585 -0.617 1.00 16.04 C +ATOM 424 O LEU A 54 27.765 47.018 -0.790 1.00 10.23 O +ATOM 425 CB LEU A 54 29.160 46.143 1.834 1.00 16.01 C +ATOM 426 CG LEU A 54 29.921 46.397 3.118 1.00 12.71 C +ATOM 427 CD1 LEU A 54 29.057 45.996 4.296 1.00 16.13 C +ATOM 428 CD2 LEU A 54 31.182 45.575 3.130 1.00 15.28 C +ATOM 429 N PRO A 55 29.452 45.794 -1.484 1.00 18.14 N +ATOM 430 CA PRO A 55 28.772 45.404 -2.701 1.00 12.87 C +ATOM 431 C PRO A 55 27.689 44.421 -2.494 1.00 13.22 C +ATOM 432 O PRO A 55 27.780 43.571 -1.631 1.00 21.73 O +ATOM 433 CB PRO A 55 29.799 44.681 -3.523 1.00 14.95 C +ATOM 434 CG PRO A 55 31.135 44.748 -2.782 1.00 22.68 C +ATOM 435 CD PRO A 55 30.903 45.495 -1.469 1.00 17.39 C +ATOM 436 N GLY A 56 26.693 44.543 -3.325 1.00 18.53 N +ATOM 437 CA GLY A 56 25.516 43.672 -3.333 1.00 25.60 C +ATOM 438 C GLY A 56 24.640 43.753 -2.089 1.00 30.11 C +ATOM 439 O GLY A 56 24.153 42.652 -1.615 1.00 16.08 O +ATOM 440 N ARG A 57 24.485 45.061 -1.620 1.00 25.83 N +ATOM 441 CA ARG A 57 23.687 45.435 -0.424 1.00 19.47 C +ATOM 442 C ARG A 57 23.371 46.924 -0.346 1.00 17.78 C +ATOM 443 O ARG A 57 24.232 47.753 -0.667 1.00 19.83 O +ATOM 444 CB ARG A 57 24.537 45.152 0.818 1.00 12.08 C +ATOM 445 CG ARG A 57 24.618 43.679 1.110 1.00 10.86 C +ATOM 446 CD ARG A 57 25.917 43.176 1.798 1.00 20.68 C +ATOM 447 NE ARG A 57 27.100 43.036 0.941 1.00 22.48 N +ATOM 448 CZ ARG A 57 28.304 42.606 1.357 1.00 27.14 C +ATOM 449 NH1 ARG A 57 28.548 42.237 2.615 1.00 31.64 N +ATOM 450 NH2 ARG A 57 29.315 42.532 0.492 1.00 25.75 N +ATOM 451 N LYS A 58 22.162 47.316 0.082 1.00 14.15 N +ATOM 452 CA LYS A 58 21.929 48.764 0.194 1.00 7.29 C +ATOM 453 C LYS A 58 22.691 49.245 1.447 1.00 14.92 C +ATOM 454 O LYS A 58 22.441 48.759 2.560 1.00 13.65 O +ATOM 455 CB LYS A 58 20.500 49.045 0.434 1.00 9.38 C +ATOM 456 CG LYS A 58 20.184 50.506 0.431 1.00 13.22 C +ATOM 457 CD LYS A 58 18.695 50.611 0.393 1.00 13.53 C +ATOM 458 CE LYS A 58 18.095 52.030 0.299 1.00 21.63 C +ATOM 459 NZ LYS A 58 16.648 51.915 -0.069 1.00 17.58 N +ATOM 460 N ASN A 59 23.628 50.175 1.307 1.00 17.05 N +ATOM 461 CA ASN A 59 24.385 50.696 2.461 1.00 17.36 C +ATOM 462 C ASN A 59 23.781 51.985 3.031 1.00 17.49 C +ATOM 463 O ASN A 59 23.827 53.002 2.325 1.00 16.05 O +ATOM 464 CB ASN A 59 25.829 51.051 2.105 1.00 6.27 C +ATOM 465 CG ASN A 59 26.639 49.873 1.595 1.00 5.60 C +ATOM 466 OD1 ASN A 59 27.806 49.828 1.809 1.00 11.33 O +ATOM 467 ND2 ASN A 59 26.116 49.087 0.686 1.00 8.63 N +ATOM 468 N ILE A 60 23.245 51.931 4.285 1.00 13.40 N +ATOM 469 CA ILE A 60 22.612 53.022 5.062 1.00 3.79 C +ATOM 470 C ILE A 60 23.527 53.482 6.171 1.00 12.62 C +ATOM 471 O ILE A 60 23.934 52.693 7.047 1.00 9.43 O +ATOM 472 CB ILE A 60 21.287 52.516 5.568 1.00 14.57 C +ATOM 473 CG1 ILE A 60 20.422 52.310 4.331 1.00 13.76 C +ATOM 474 CG2 ILE A 60 20.601 53.527 6.480 1.00 15.38 C +ATOM 475 CD1 ILE A 60 19.437 51.222 4.557 1.00 13.88 C +ATOM 476 N ILE A 61 23.908 54.761 6.122 1.00 6.28 N +ATOM 477 CA ILE A 61 24.812 55.294 7.124 1.00 10.58 C +ATOM 478 C ILE A 61 24.088 56.298 7.964 1.00 12.62 C +ATOM 479 O ILE A 61 23.476 57.168 7.377 1.00 7.49 O +ATOM 480 CB ILE A 61 25.925 56.043 6.446 1.00 9.16 C +ATOM 481 CG1 ILE A 61 26.459 55.285 5.223 1.00 1.00 C +ATOM 482 CG2 ILE A 61 27.001 56.442 7.426 1.00 8.69 C +ATOM 483 CD1 ILE A 61 27.132 53.993 5.604 1.00 13.61 C +ATOM 484 N LEU A 62 24.193 56.163 9.308 1.00 9.13 N +ATOM 485 CA LEU A 62 23.559 57.018 10.314 1.00 5.12 C +ATOM 486 C LEU A 62 24.565 58.094 10.752 1.00 13.44 C +ATOM 487 O LEU A 62 25.687 57.824 11.176 1.00 14.02 O +ATOM 488 CB LEU A 62 23.309 56.081 11.482 1.00 16.26 C +ATOM 489 CG LEU A 62 22.113 56.221 12.423 1.00 25.58 C +ATOM 490 CD1 LEU A 62 21.036 57.217 11.974 1.00 20.45 C +ATOM 491 CD2 LEU A 62 21.524 54.824 12.580 1.00 18.43 C +ATOM 492 N SER A 63 24.173 59.344 10.626 1.00 6.22 N +ATOM 493 CA SER A 63 25.064 60.400 11.035 1.00 14.99 C +ATOM 494 C SER A 63 24.151 61.566 11.273 1.00 14.94 C +ATOM 495 O SER A 63 23.074 61.643 10.669 1.00 13.06 O +ATOM 496 CB SER A 63 26.146 60.775 10.013 1.00 15.60 C +ATOM 497 OG SER A 63 26.518 62.190 10.114 1.00 17.77 O +ATOM 498 N SER A 64 24.553 62.451 12.157 1.00 21.04 N +ATOM 499 CA SER A 64 23.712 63.639 12.425 1.00 20.59 C +ATOM 500 C SER A 64 23.899 64.670 11.302 1.00 18.63 C +ATOM 501 O SER A 64 22.992 65.454 11.002 1.00 23.34 O +ATOM 502 CB SER A 64 24.118 64.290 13.731 1.00 13.26 C +ATOM 503 OG SER A 64 25.537 64.405 13.745 1.00 22.72 O +ATOM 504 N GLN A 65 25.095 64.602 10.701 1.00 22.89 N +ATOM 505 CA GLN A 65 25.551 65.457 9.600 1.00 36.35 C +ATOM 506 C GLN A 65 25.118 65.006 8.211 1.00 38.14 C +ATOM 507 O GLN A 65 24.847 63.832 7.960 1.00 37.72 O +ATOM 508 CB GLN A 65 27.069 65.763 9.644 1.00 40.68 C +ATOM 509 CG GLN A 65 27.576 66.169 11.054 1.00 55.67 C +ATOM 510 CD GLN A 65 27.034 67.494 11.597 1.00 70.44 C +ATOM 511 OE1 GLN A 65 26.166 68.170 11.005 1.00 71.65 O +ATOM 512 NE2 GLN A 65 27.594 67.905 12.732 1.00 79.39 N +ATOM 513 N PRO A 66 25.061 65.970 7.302 1.00 41.97 N +ATOM 514 CA PRO A 66 24.663 65.719 5.923 1.00 44.15 C +ATOM 515 C PRO A 66 25.604 64.677 5.304 1.00 33.44 C +ATOM 516 O PRO A 66 26.767 64.629 5.660 1.00 30.04 O +ATOM 517 CB PRO A 66 24.665 67.092 5.229 1.00 48.98 C +ATOM 518 CG PRO A 66 25.070 68.119 6.287 1.00 50.53 C +ATOM 519 CD PRO A 66 25.627 67.332 7.459 1.00 48.31 C +ATOM 520 N GLY A 67 25.140 63.816 4.401 1.00 25.60 N +ATOM 521 CA GLY A 67 26.104 62.862 3.920 1.00 20.52 C +ATOM 522 C GLY A 67 27.190 63.503 3.115 1.00 21.18 C +ATOM 523 O GLY A 67 27.079 64.645 2.737 1.00 27.62 O +ATOM 524 N THR A 68 28.235 62.757 2.823 1.00 20.32 N +ATOM 525 CA THR A 68 29.342 63.274 1.987 1.00 22.65 C +ATOM 526 C THR A 68 29.825 62.257 0.902 1.00 13.18 C +ATOM 527 O THR A 68 30.987 62.131 0.508 1.00 16.80 O +ATOM 528 CB THR A 68 30.476 63.699 2.890 1.00 29.61 C +ATOM 529 OG1 THR A 68 31.052 62.541 3.528 1.00 26.16 O +ATOM 530 CG2 THR A 68 29.840 64.672 3.898 1.00 33.79 C +ATOM 531 N ASP A 69 28.919 61.495 0.398 1.00 12.80 N +ATOM 532 CA ASP A 69 29.308 60.516 -0.605 1.00 12.18 C +ATOM 533 C ASP A 69 27.998 60.035 -1.105 1.00 11.35 C +ATOM 534 O ASP A 69 27.157 59.648 -0.290 1.00 12.94 O +ATOM 535 CB ASP A 69 30.078 59.415 0.080 1.00 12.52 C +ATOM 536 CG ASP A 69 30.498 58.400 -0.917 1.00 13.47 C +ATOM 537 OD1 ASP A 69 29.737 57.983 -1.742 1.00 11.72 O +ATOM 538 OD2 ASP A 69 31.734 57.985 -0.782 1.00 12.63 O +ATOM 539 N ASP A 70 27.805 60.107 -2.413 1.00 14.00 N +ATOM 540 CA ASP A 70 26.529 59.696 -3.031 1.00 8.45 C +ATOM 541 C ASP A 70 26.450 58.233 -3.299 1.00 10.78 C +ATOM 542 O ASP A 70 25.447 57.727 -3.816 1.00 12.70 O +ATOM 543 CB ASP A 70 26.098 60.468 -4.278 1.00 17.27 C +ATOM 544 CG ASP A 70 25.569 61.821 -3.873 1.00 39.02 C +ATOM 545 OD1 ASP A 70 25.223 62.095 -2.725 1.00 43.16 O +ATOM 546 OD2 ASP A 70 25.582 62.695 -4.851 1.00 50.77 O +ATOM 547 N ARG A 71 27.489 57.520 -2.962 1.00 4.80 N +ATOM 548 CA ARG A 71 27.328 56.098 -3.256 1.00 9.97 C +ATOM 549 C ARG A 71 26.456 55.396 -2.202 1.00 10.38 C +ATOM 550 O ARG A 71 25.994 54.290 -2.431 1.00 12.41 O +ATOM 551 CB ARG A 71 28.585 55.268 -3.495 1.00 12.17 C +ATOM 552 CG ARG A 71 29.717 55.877 -4.332 1.00 10.90 C +ATOM 553 CD ARG A 71 30.897 56.133 -3.391 1.00 15.34 C +ATOM 554 NE ARG A 71 31.988 55.304 -3.641 1.00 18.65 N +ATOM 555 CZ ARG A 71 33.029 55.226 -2.911 1.00 19.16 C +ATOM 556 NH1 ARG A 71 33.191 55.931 -1.790 1.00 16.85 N +ATOM 557 NH2 ARG A 71 33.939 54.373 -3.349 1.00 28.25 N +ATOM 558 N VAL A 72 26.236 56.048 -1.060 1.00 10.25 N +ATOM 559 CA VAL A 72 25.458 55.438 0.003 1.00 7.98 C +ATOM 560 C VAL A 72 24.312 56.322 0.452 1.00 7.12 C +ATOM 561 O VAL A 72 24.297 57.457 0.122 1.00 11.50 O +ATOM 562 CB VAL A 72 26.432 55.146 1.156 1.00 10.39 C +ATOM 563 CG1 VAL A 72 27.624 54.341 0.637 1.00 12.14 C +ATOM 564 CG2 VAL A 72 26.891 56.480 1.826 1.00 4.75 C +ATOM 565 N THR A 73 23.349 55.783 1.202 1.00 4.74 N +ATOM 566 CA THR A 73 22.192 56.479 1.716 1.00 8.66 C +ATOM 567 C THR A 73 22.402 56.891 3.105 1.00 14.07 C +ATOM 568 O THR A 73 22.625 55.993 3.907 1.00 8.56 O +ATOM 569 CB THR A 73 21.085 55.457 1.781 1.00 11.82 C +ATOM 570 OG1 THR A 73 20.787 55.021 0.466 1.00 21.83 O +ATOM 571 CG2 THR A 73 19.857 56.042 2.395 1.00 9.30 C +ATOM 572 N TRP A 74 22.307 58.211 3.331 1.00 13.06 N +ATOM 573 CA TRP A 74 22.499 58.859 4.610 1.00 12.34 C +ATOM 574 C TRP A 74 21.186 59.150 5.278 1.00 13.57 C +ATOM 575 O TRP A 74 20.283 59.677 4.619 1.00 9.58 O +ATOM 576 CB TRP A 74 23.234 60.175 4.335 1.00 11.54 C +ATOM 577 CG TRP A 74 24.640 59.997 3.802 1.00 1.00 C +ATOM 578 CD1 TRP A 74 25.010 59.892 2.494 1.00 9.96 C +ATOM 579 CD2 TRP A 74 25.839 59.934 4.536 1.00 6.82 C +ATOM 580 NE1 TRP A 74 26.371 59.776 2.375 1.00 5.01 N +ATOM 581 CE2 TRP A 74 26.904 59.779 3.630 1.00 3.04 C +ATOM 582 CE3 TRP A 74 26.108 59.955 5.902 1.00 9.61 C +ATOM 583 CZ2 TRP A 74 28.209 59.634 4.038 1.00 6.08 C +ATOM 584 CZ3 TRP A 74 27.409 59.833 6.290 1.00 4.70 C +ATOM 585 CH2 TRP A 74 28.455 59.708 5.392 1.00 7.07 C +ATOM 586 N VAL A 75 21.083 58.789 6.584 1.00 3.72 N +ATOM 587 CA VAL A 75 19.855 58.984 7.392 1.00 6.44 C +ATOM 588 C VAL A 75 20.248 59.617 8.733 1.00 10.77 C +ATOM 589 O VAL A 75 21.400 59.575 9.173 1.00 11.66 O +ATOM 590 CB VAL A 75 19.108 57.693 7.622 1.00 5.02 C +ATOM 591 CG1 VAL A 75 18.449 57.240 6.313 1.00 6.12 C +ATOM 592 CG2 VAL A 75 20.142 56.667 8.185 1.00 5.84 C +ATOM 593 N LYS A 76 19.303 60.234 9.407 1.00 12.55 N +ATOM 594 CA LYS A 76 19.748 60.860 10.641 1.00 16.28 C +ATOM 595 C LYS A 76 18.986 60.393 11.857 1.00 17.94 C +ATOM 596 O LYS A 76 18.915 61.093 12.863 1.00 8.53 O +ATOM 597 CB LYS A 76 19.556 62.385 10.522 1.00 21.95 C +ATOM 598 CG LYS A 76 20.094 62.992 9.233 1.00 29.33 C +ATOM 599 CD LYS A 76 20.332 64.493 9.344 1.00 35.08 C +ATOM 600 CE LYS A 76 20.339 65.153 7.977 1.00 43.46 C +ATOM 601 NZ LYS A 76 20.624 66.605 8.055 1.00 56.42 N +ATOM 602 N SER A 77 18.388 59.233 11.798 1.00 5.50 N +ATOM 603 CA SER A 77 17.672 58.823 12.970 1.00 3.29 C +ATOM 604 C SER A 77 17.431 57.397 12.788 1.00 6.59 C +ATOM 605 O SER A 77 17.477 56.898 11.659 1.00 10.55 O +ATOM 606 CB SER A 77 16.414 59.607 13.217 1.00 6.51 C +ATOM 607 OG SER A 77 15.307 59.122 12.476 1.00 15.04 O +ATOM 608 N VAL A 78 17.198 56.716 13.859 1.00 12.80 N +ATOM 609 CA VAL A 78 17.005 55.295 13.766 1.00 5.35 C +ATOM 610 C VAL A 78 15.777 54.995 12.948 1.00 10.47 C +ATOM 611 O VAL A 78 15.729 54.089 12.068 1.00 9.71 O +ATOM 612 CB VAL A 78 16.875 54.677 15.192 1.00 11.80 C +ATOM 613 CG1 VAL A 78 16.161 53.328 15.154 1.00 11.09 C +ATOM 614 CG2 VAL A 78 18.230 54.508 15.859 1.00 5.71 C +ATOM 615 N ASP A 79 14.748 55.739 13.248 1.00 9.83 N +ATOM 616 CA ASP A 79 13.566 55.436 12.520 1.00 10.68 C +ATOM 617 C ASP A 79 13.707 55.662 11.006 1.00 9.55 C +ATOM 618 O ASP A 79 13.113 54.957 10.180 1.00 10.49 O +ATOM 619 CB ASP A 79 12.256 55.892 13.239 1.00 30.32 C +ATOM 620 CG ASP A 79 11.831 55.109 14.499 1.00 44.37 C +ATOM 621 OD1 ASP A 79 11.431 53.930 14.521 1.00 45.52 O +ATOM 622 OD2 ASP A 79 11.825 55.860 15.582 1.00 52.96 O +ATOM 623 N GLU A 80 14.515 56.652 10.658 1.00 9.21 N +ATOM 624 CA GLU A 80 14.721 56.947 9.289 1.00 8.47 C +ATOM 625 C GLU A 80 15.501 55.812 8.637 1.00 12.97 C +ATOM 626 O GLU A 80 15.256 55.430 7.443 1.00 9.73 O +ATOM 627 CB GLU A 80 15.510 58.284 9.122 1.00 11.70 C +ATOM 628 CG GLU A 80 15.150 59.054 7.862 1.00 16.58 C +ATOM 629 CD GLU A 80 16.217 59.990 7.326 1.00 23.85 C +ATOM 630 OE1 GLU A 80 16.852 60.637 8.269 1.00 20.66 O +ATOM 631 OE2 GLU A 80 16.376 60.217 6.108 1.00 21.08 O +ATOM 632 N ALA A 81 16.466 55.289 9.400 1.00 4.53 N +ATOM 633 CA ALA A 81 17.234 54.249 8.794 1.00 6.25 C +ATOM 634 C ALA A 81 16.415 53.000 8.537 1.00 11.00 C +ATOM 635 O ALA A 81 16.649 52.229 7.609 1.00 9.75 O +ATOM 636 CB ALA A 81 18.565 54.011 9.436 1.00 12.76 C +ATOM 637 N ILE A 82 15.432 52.773 9.350 1.00 6.37 N +ATOM 638 CA ILE A 82 14.606 51.569 9.151 1.00 6.98 C +ATOM 639 C ILE A 82 13.683 51.825 7.958 1.00 17.44 C +ATOM 640 O ILE A 82 13.510 51.009 7.040 1.00 12.18 O +ATOM 641 CB ILE A 82 13.780 51.383 10.399 1.00 9.38 C +ATOM 642 CG1 ILE A 82 14.753 51.102 11.550 1.00 15.99 C +ATOM 643 CG2 ILE A 82 12.775 50.268 10.211 1.00 10.62 C +ATOM 644 CD1 ILE A 82 14.021 50.668 12.817 1.00 15.75 C +ATOM 645 N ALA A 83 13.084 53.002 7.957 1.00 11.91 N +ATOM 646 CA ALA A 83 12.212 53.310 6.835 1.00 12.41 C +ATOM 647 C ALA A 83 12.957 53.252 5.492 1.00 13.22 C +ATOM 648 O ALA A 83 12.387 52.884 4.476 1.00 21.13 O +ATOM 649 CB ALA A 83 11.608 54.686 7.012 1.00 4.62 C +ATOM 650 N ALA A 84 14.219 53.619 5.453 1.00 9.49 N +ATOM 651 CA ALA A 84 14.943 53.593 4.198 1.00 7.32 C +ATOM 652 C ALA A 84 15.166 52.195 3.648 1.00 14.06 C +ATOM 653 O ALA A 84 15.428 52.043 2.471 1.00 15.25 O +ATOM 654 CB ALA A 84 16.290 54.287 4.317 1.00 2.65 C +ATOM 655 N CYS A 85 15.067 51.173 4.491 1.00 11.56 N +ATOM 656 CA CYS A 85 15.293 49.834 4.022 1.00 13.25 C +ATOM 657 C CYS A 85 14.111 49.274 3.261 1.00 20.73 C +ATOM 658 O CYS A 85 14.190 48.261 2.531 1.00 30.13 O +ATOM 659 CB CYS A 85 15.544 48.941 5.267 1.00 8.70 C +ATOM 660 SG CYS A 85 17.142 49.276 6.026 1.00 10.90 S +ATOM 661 N GLY A 86 12.986 49.906 3.461 1.00 25.44 N +ATOM 662 CA GLY A 86 11.769 49.440 2.825 1.00 29.94 C +ATOM 663 C GLY A 86 11.215 48.224 3.610 1.00 33.02 C +ATOM 664 O GLY A 86 11.449 48.027 4.846 1.00 25.40 O +ATOM 665 N ASP A 87 10.474 47.404 2.851 1.00 38.82 N +ATOM 666 CA ASP A 87 9.823 46.195 3.315 1.00 44.83 C +ATOM 667 C ASP A 87 10.608 44.861 3.099 1.00 36.05 C +ATOM 668 O ASP A 87 10.032 43.840 2.748 1.00 42.23 O +ATOM 669 CB ASP A 87 8.338 46.191 2.839 1.00 66.05 C +ATOM 670 CG ASP A 87 7.521 44.952 3.167 1.00 85.19 C +ATOM 671 OD1 ASP A 87 7.838 44.431 4.336 1.00 91.22 O +ATOM 672 OD2 ASP A 87 6.713 44.438 2.388 1.00 90.88 O +ATOM 673 N VAL A 88 11.929 44.827 3.307 1.00 19.73 N +ATOM 674 CA VAL A 88 12.703 43.599 3.142 1.00 8.52 C +ATOM 675 C VAL A 88 12.469 42.613 4.279 1.00 16.33 C +ATOM 676 O VAL A 88 11.991 42.974 5.320 1.00 15.40 O +ATOM 677 CB VAL A 88 14.122 43.889 3.011 1.00 12.37 C +ATOM 678 CG1 VAL A 88 14.105 44.749 1.773 1.00 18.21 C +ATOM 679 CG2 VAL A 88 14.508 44.743 4.257 1.00 14.90 C +ATOM 680 N PRO A 89 12.781 41.365 4.078 1.00 15.63 N +ATOM 681 CA PRO A 89 12.566 40.393 5.099 1.00 19.68 C +ATOM 682 C PRO A 89 13.527 40.508 6.323 1.00 20.14 C +ATOM 683 O PRO A 89 13.163 40.124 7.432 1.00 25.02 O +ATOM 684 CB PRO A 89 12.613 39.055 4.379 1.00 20.59 C +ATOM 685 CG PRO A 89 12.948 39.340 2.941 1.00 24.22 C +ATOM 686 CD PRO A 89 13.448 40.770 2.921 1.00 26.56 C +ATOM 687 N GLU A 90 14.739 41.070 6.140 1.00 10.40 N +ATOM 688 CA GLU A 90 15.687 41.225 7.212 1.00 9.30 C +ATOM 689 C GLU A 90 16.724 42.316 6.899 1.00 10.50 C +ATOM 690 O GLU A 90 17.371 42.368 5.818 1.00 10.55 O +ATOM 691 CB GLU A 90 16.408 39.923 7.456 1.00 7.53 C +ATOM 692 CG GLU A 90 17.582 39.956 8.480 1.00 8.61 C +ATOM 693 CD GLU A 90 18.206 38.557 8.575 1.00 13.88 C +ATOM 694 OE1 GLU A 90 18.290 37.770 7.600 1.00 11.73 O +ATOM 695 OE2 GLU A 90 18.537 38.205 9.784 1.00 11.55 O +ATOM 696 N ILE A 91 16.892 43.165 7.894 1.00 6.45 N +ATOM 697 CA ILE A 91 17.814 44.295 7.896 1.00 5.91 C +ATOM 698 C ILE A 91 19.040 43.978 8.732 1.00 5.99 C +ATOM 699 O ILE A 91 18.919 43.560 9.872 1.00 12.25 O +ATOM 700 CB ILE A 91 17.034 45.467 8.548 1.00 6.77 C +ATOM 701 CG1 ILE A 91 15.886 45.839 7.624 1.00 9.43 C +ATOM 702 CG2 ILE A 91 17.985 46.636 8.745 1.00 4.41 C +ATOM 703 CD1 ILE A 91 14.965 46.917 8.145 1.00 3.32 C +ATOM 704 N MET A 92 20.241 44.134 8.232 1.00 1.00 N +ATOM 705 CA MET A 92 21.399 43.813 9.039 1.00 1.39 C +ATOM 706 C MET A 92 22.043 45.022 9.679 1.00 11.66 C +ATOM 707 O MET A 92 22.483 45.864 8.932 1.00 15.35 O +ATOM 708 CB MET A 92 22.531 43.124 8.253 1.00 4.44 C +ATOM 709 CG MET A 92 22.035 41.863 7.554 1.00 6.12 C +ATOM 710 SD MET A 92 21.394 40.596 8.700 1.00 12.39 S +ATOM 711 CE MET A 92 22.981 40.144 9.472 1.00 10.77 C +ATOM 712 N VAL A 93 22.120 45.121 11.038 1.00 7.72 N +ATOM 713 CA VAL A 93 22.797 46.260 11.675 1.00 1.00 C +ATOM 714 C VAL A 93 24.246 45.819 11.850 1.00 5.94 C +ATOM 715 O VAL A 93 24.559 44.797 12.529 1.00 3.13 O +ATOM 716 CB VAL A 93 22.107 46.625 12.946 1.00 1.09 C +ATOM 717 CG1 VAL A 93 22.830 47.761 13.643 1.00 1.00 C +ATOM 718 CG2 VAL A 93 20.695 46.988 12.593 1.00 1.00 C +ATOM 719 N ILE A 94 25.198 46.537 11.252 1.00 5.81 N +ATOM 720 CA ILE A 94 26.606 46.109 11.353 1.00 4.26 C +ATOM 721 C ILE A 94 27.638 46.787 12.235 1.00 10.53 C +ATOM 722 O ILE A 94 28.849 46.463 12.196 1.00 8.35 O +ATOM 723 CB ILE A 94 27.130 45.863 9.951 1.00 11.22 C +ATOM 724 CG1 ILE A 94 27.269 47.213 9.230 1.00 14.96 C +ATOM 725 CG2 ILE A 94 26.059 45.054 9.266 1.00 5.89 C +ATOM 726 CD1 ILE A 94 28.168 47.163 7.986 1.00 14.92 C +ATOM 727 N GLY A 95 27.203 47.718 13.050 1.00 4.88 N +ATOM 728 CA GLY A 95 28.197 48.359 13.926 1.00 15.71 C +ATOM 729 C GLY A 95 28.203 49.868 13.699 1.00 10.26 C +ATOM 730 O GLY A 95 27.554 50.344 12.744 1.00 8.30 O +ATOM 731 N GLY A 96 28.903 50.618 14.549 1.00 5.97 N +ATOM 732 CA GLY A 96 29.657 50.098 15.654 1.00 7.78 C +ATOM 733 C GLY A 96 28.865 50.070 16.953 1.00 9.94 C +ATOM 734 O GLY A 96 27.630 49.903 17.028 1.00 9.00 O +ATOM 735 N GLY A 97 29.616 50.248 18.007 1.00 5.33 N +ATOM 736 CA GLY A 97 28.999 50.206 19.327 1.00 9.51 C +ATOM 737 C GLY A 97 27.808 51.082 19.586 1.00 6.48 C +ATOM 738 O GLY A 97 26.768 50.620 20.059 1.00 6.95 O +ATOM 739 N ARG A 98 27.977 52.364 19.292 1.00 13.32 N +ATOM 740 CA ARG A 98 26.892 53.291 19.517 1.00 12.61 C +ATOM 741 C ARG A 98 25.698 52.831 18.743 1.00 11.76 C +ATOM 742 O ARG A 98 24.618 52.895 19.257 1.00 14.11 O +ATOM 743 CB ARG A 98 27.225 54.777 19.312 1.00 20.34 C +ATOM 744 CG ARG A 98 25.988 55.616 19.668 1.00 48.53 C +ATOM 745 CD ARG A 98 26.047 57.144 19.458 1.00 67.81 C +ATOM 746 NE ARG A 98 24.710 57.774 19.490 1.00 80.17 N +ATOM 747 CZ ARG A 98 24.361 58.871 18.795 1.00 91.16 C +ATOM 748 NH1 ARG A 98 25.219 59.507 17.986 1.00 94.35 N +ATOM 749 NH2 ARG A 98 23.110 59.345 18.903 1.00 94.99 N +ATOM 750 N VAL A 99 25.900 52.336 17.511 1.00 4.11 N +ATOM 751 CA VAL A 99 24.758 51.851 16.721 1.00 7.52 C +ATOM 752 C VAL A 99 24.065 50.574 17.219 1.00 1.00 C +ATOM 753 O VAL A 99 22.829 50.446 17.233 1.00 2.06 O +ATOM 754 CB VAL A 99 25.224 51.696 15.266 1.00 10.50 C +ATOM 755 CG1 VAL A 99 24.187 51.000 14.390 1.00 1.07 C +ATOM 756 CG2 VAL A 99 25.493 53.106 14.760 1.00 5.75 C +ATOM 757 N TYR A 100 24.868 49.639 17.648 1.00 4.04 N +ATOM 758 CA TYR A 100 24.288 48.429 18.115 1.00 4.03 C +ATOM 759 C TYR A 100 23.432 48.679 19.332 1.00 9.48 C +ATOM 760 O TYR A 100 22.359 48.097 19.542 1.00 7.58 O +ATOM 761 CB TYR A 100 25.418 47.487 18.576 1.00 8.68 C +ATOM 762 CG TYR A 100 26.220 46.782 17.533 1.00 5.18 C +ATOM 763 CD1 TYR A 100 25.626 46.145 16.444 1.00 1.00 C +ATOM 764 CD2 TYR A 100 27.595 46.707 17.696 1.00 8.46 C +ATOM 765 CE1 TYR A 100 26.443 45.489 15.507 1.00 1.00 C +ATOM 766 CE2 TYR A 100 28.416 46.044 16.772 1.00 8.40 C +ATOM 767 CZ TYR A 100 27.829 45.432 15.664 1.00 8.34 C +ATOM 768 OH TYR A 100 28.659 44.789 14.728 1.00 9.52 O +ATOM 769 N GLU A 101 23.918 49.570 20.206 1.00 8.87 N +ATOM 770 CA GLU A 101 23.160 49.849 21.439 1.00 4.16 C +ATOM 771 C GLU A 101 21.805 50.346 21.108 1.00 6.83 C +ATOM 772 O GLU A 101 20.789 50.098 21.750 1.00 11.10 O +ATOM 773 CB GLU A 101 23.938 50.989 22.119 1.00 14.73 C +ATOM 774 CG GLU A 101 23.849 51.037 23.634 1.00 30.30 C +ATOM 775 CD GLU A 101 23.949 52.438 24.217 1.00 39.35 C +ATOM 776 OE1 GLU A 101 25.161 52.941 24.200 1.00 34.86 O +ATOM 777 OE2 GLU A 101 23.001 53.001 24.741 1.00 44.25 O +ATOM 778 N GLN A 102 21.771 51.119 20.078 1.00 8.62 N +ATOM 779 CA GLN A 102 20.493 51.664 19.693 1.00 8.84 C +ATOM 780 C GLN A 102 19.570 50.725 18.983 1.00 12.63 C +ATOM 781 O GLN A 102 18.353 50.800 19.183 1.00 12.30 O +ATOM 782 CB GLN A 102 20.661 52.866 18.781 1.00 12.79 C +ATOM 783 CG GLN A 102 21.120 54.079 19.569 1.00 14.59 C +ATOM 784 CD GLN A 102 21.543 55.160 18.632 1.00 23.97 C +ATOM 785 OE1 GLN A 102 20.773 56.072 18.397 1.00 31.87 O +ATOM 786 NE2 GLN A 102 22.760 55.060 18.090 1.00 21.99 N +ATOM 787 N PHE A 103 20.112 49.849 18.157 1.00 9.34 N +ATOM 788 CA PHE A 103 19.216 48.927 17.476 1.00 8.31 C +ATOM 789 C PHE A 103 18.774 47.756 18.317 1.00 7.82 C +ATOM 790 O PHE A 103 17.729 47.119 18.048 1.00 13.29 O +ATOM 791 CB PHE A 103 19.917 48.397 16.207 1.00 7.08 C +ATOM 792 CG PHE A 103 19.671 49.467 15.177 1.00 10.00 C +ATOM 793 CD1 PHE A 103 18.507 49.421 14.398 1.00 10.45 C +ATOM 794 CD2 PHE A 103 20.558 50.532 15.012 1.00 6.00 C +ATOM 795 CE1 PHE A 103 18.215 50.419 13.463 1.00 13.29 C +ATOM 796 CE2 PHE A 103 20.273 51.518 14.073 1.00 2.89 C +ATOM 797 CZ PHE A 103 19.115 51.469 13.301 1.00 7.14 C +ATOM 798 N LEU A 104 19.612 47.436 19.328 1.00 7.11 N +ATOM 799 CA LEU A 104 19.333 46.282 20.237 1.00 9.49 C +ATOM 800 C LEU A 104 17.905 46.040 20.655 1.00 11.17 C +ATOM 801 O LEU A 104 17.367 44.945 20.460 1.00 8.35 O +ATOM 802 CB LEU A 104 20.350 46.117 21.394 1.00 11.62 C +ATOM 803 CG LEU A 104 20.241 44.858 22.305 1.00 20.39 C +ATOM 804 CD1 LEU A 104 20.630 43.582 21.597 1.00 16.07 C +ATOM 805 CD2 LEU A 104 21.229 44.989 23.462 1.00 24.67 C +ATOM 806 N PRO A 105 17.272 47.046 21.247 1.00 9.96 N +ATOM 807 CA PRO A 105 15.903 46.865 21.664 1.00 12.23 C +ATOM 808 C PRO A 105 14.933 46.582 20.537 1.00 12.23 C +ATOM 809 O PRO A 105 13.788 46.144 20.761 1.00 16.23 O +ATOM 810 CB PRO A 105 15.426 48.177 22.288 1.00 5.87 C +ATOM 811 CG PRO A 105 16.506 49.206 21.979 1.00 10.61 C +ATOM 812 CD PRO A 105 17.694 48.449 21.386 1.00 8.17 C +ATOM 813 N LYS A 106 15.356 46.869 19.323 1.00 12.73 N +ATOM 814 CA LYS A 106 14.438 46.640 18.234 1.00 15.31 C +ATOM 815 C LYS A 106 14.701 45.309 17.510 1.00 17.04 C +ATOM 816 O LYS A 106 13.892 44.786 16.736 1.00 15.96 O +ATOM 817 CB LYS A 106 14.713 47.748 17.254 1.00 15.88 C +ATOM 818 CG LYS A 106 14.104 49.080 17.675 1.00 22.81 C +ATOM 819 CD LYS A 106 14.088 50.052 16.524 1.00 29.83 C +ATOM 820 CE LYS A 106 12.765 50.746 16.439 1.00 33.06 C +ATOM 821 NZ LYS A 106 12.409 51.291 17.742 1.00 27.77 N +ATOM 822 N ALA A 107 15.876 44.799 17.774 1.00 12.39 N +ATOM 823 CA ALA A 107 16.295 43.582 17.145 1.00 12.75 C +ATOM 824 C ALA A 107 15.629 42.297 17.539 1.00 10.04 C +ATOM 825 O ALA A 107 15.230 42.086 18.703 1.00 9.34 O +ATOM 826 CB ALA A 107 17.803 43.453 17.297 1.00 10.21 C +ATOM 827 N GLN A 108 15.527 41.404 16.549 1.00 11.05 N +ATOM 828 CA GLN A 108 14.932 40.069 16.799 1.00 15.03 C +ATOM 829 C GLN A 108 15.973 38.917 16.708 1.00 13.70 C +ATOM 830 O GLN A 108 15.704 37.756 17.060 1.00 11.78 O +ATOM 831 CB GLN A 108 13.785 39.762 15.844 1.00 17.43 C +ATOM 832 CG GLN A 108 12.499 40.536 16.129 1.00 36.97 C +ATOM 833 CD GLN A 108 11.407 39.642 16.747 1.00 57.53 C +ATOM 834 OE1 GLN A 108 11.035 38.580 16.177 1.00 65.29 O +ATOM 835 NE2 GLN A 108 10.864 40.063 17.906 1.00 61.53 N +ATOM 836 N LYS A 109 17.173 39.208 16.222 1.00 6.60 N +ATOM 837 CA LYS A 109 18.151 38.175 16.100 1.00 1.00 C +ATOM 838 C LYS A 109 19.547 38.701 16.145 1.00 5.87 C +ATOM 839 O LYS A 109 19.747 39.837 15.704 1.00 5.66 O +ATOM 840 CB LYS A 109 18.115 37.846 14.670 1.00 8.55 C +ATOM 841 CG LYS A 109 17.428 36.609 14.322 1.00 21.19 C +ATOM 842 CD LYS A 109 18.189 36.038 13.138 1.00 19.72 C +ATOM 843 CE LYS A 109 17.396 34.967 12.439 1.00 24.74 C +ATOM 844 NZ LYS A 109 18.133 34.338 11.346 1.00 31.80 N +ATOM 845 N LEU A 110 20.490 37.877 16.665 1.00 1.97 N +ATOM 846 CA LEU A 110 21.847 38.286 16.758 1.00 1.00 C +ATOM 847 C LEU A 110 22.682 37.216 16.181 1.00 8.15 C +ATOM 848 O LEU A 110 22.455 36.032 16.386 1.00 6.67 O +ATOM 849 CB LEU A 110 22.283 38.373 18.228 1.00 7.61 C +ATOM 850 CG LEU A 110 21.405 39.259 19.118 1.00 9.21 C +ATOM 851 CD1 LEU A 110 21.987 39.302 20.548 1.00 4.87 C +ATOM 852 CD2 LEU A 110 21.322 40.659 18.542 1.00 8.66 C +ATOM 853 N TYR A 111 23.669 37.620 15.464 1.00 4.37 N +ATOM 854 CA TYR A 111 24.524 36.678 14.888 1.00 6.60 C +ATOM 855 C TYR A 111 25.845 37.057 15.508 1.00 8.91 C +ATOM 856 O TYR A 111 26.386 38.130 15.211 1.00 4.47 O +ATOM 857 CB TYR A 111 24.637 36.969 13.368 1.00 10.24 C +ATOM 858 CG TYR A 111 23.430 36.724 12.456 1.00 9.27 C +ATOM 859 CD1 TYR A 111 22.345 37.592 12.427 1.00 11.71 C +ATOM 860 CD2 TYR A 111 23.372 35.637 11.590 1.00 7.46 C +ATOM 861 CE1 TYR A 111 21.251 37.420 11.587 1.00 6.21 C +ATOM 862 CE2 TYR A 111 22.286 35.418 10.750 1.00 6.53 C +ATOM 863 CZ TYR A 111 21.223 36.319 10.732 1.00 14.20 C +ATOM 864 OH TYR A 111 20.115 36.124 9.913 1.00 16.73 O +ATOM 865 N LEU A 112 26.391 36.199 16.367 1.00 3.20 N +ATOM 866 CA LEU A 112 27.655 36.588 16.950 1.00 5.20 C +ATOM 867 C LEU A 112 28.769 35.610 16.732 1.00 5.91 C +ATOM 868 O LEU A 112 28.540 34.416 16.634 1.00 9.72 O +ATOM 869 CB LEU A 112 27.488 36.699 18.460 1.00 5.07 C +ATOM 870 CG LEU A 112 26.202 37.429 18.867 1.00 11.76 C +ATOM 871 CD1 LEU A 112 26.108 37.517 20.372 1.00 4.81 C +ATOM 872 CD2 LEU A 112 26.177 38.881 18.352 1.00 11.17 C +ATOM 873 N THR A 113 29.938 36.173 16.633 1.00 1.00 N +ATOM 874 CA THR A 113 31.112 35.401 16.489 1.00 4.39 C +ATOM 875 C THR A 113 31.862 35.655 17.794 1.00 13.56 C +ATOM 876 O THR A 113 32.266 36.798 18.084 1.00 6.81 O +ATOM 877 CB THR A 113 31.981 35.803 15.341 1.00 10.31 C +ATOM 878 OG1 THR A 113 31.296 35.651 14.090 1.00 10.83 O +ATOM 879 CG2 THR A 113 33.247 34.976 15.406 1.00 1.00 C +ATOM 880 N HIS A 114 32.044 34.592 18.608 1.00 12.04 N +ATOM 881 CA HIS A 114 32.758 34.763 19.865 1.00 6.47 C +ATOM 882 C HIS A 114 34.156 34.329 19.536 1.00 8.63 C +ATOM 883 O HIS A 114 34.423 33.181 19.126 1.00 8.99 O +ATOM 884 CB HIS A 114 32.090 33.872 21.018 1.00 2.94 C +ATOM 885 CG HIS A 114 30.665 34.161 21.308 1.00 1.00 C +ATOM 886 ND1 HIS A 114 30.256 35.299 22.012 1.00 10.41 N +ATOM 887 CD2 HIS A 114 29.541 33.478 20.932 1.00 1.00 C +ATOM 888 CE1 HIS A 114 28.872 35.249 22.095 1.00 9.70 C +ATOM 889 NE2 HIS A 114 28.426 34.148 21.411 1.00 6.60 N +ATOM 890 N ILE A 115 35.061 35.235 19.711 1.00 2.21 N +ATOM 891 CA ILE A 115 36.422 34.965 19.431 1.00 1.00 C +ATOM 892 C ILE A 115 37.259 34.798 20.699 1.00 13.33 C +ATOM 893 O ILE A 115 37.190 35.660 21.572 1.00 12.27 O +ATOM 894 CB ILE A 115 37.030 36.141 18.684 1.00 1.00 C +ATOM 895 CG1 ILE A 115 36.099 36.480 17.479 1.00 9.22 C +ATOM 896 CG2 ILE A 115 38.486 35.801 18.249 1.00 4.89 C +ATOM 897 CD1 ILE A 115 36.743 37.303 16.376 1.00 12.15 C +ATOM 898 N ASP A 116 38.051 33.731 20.760 1.00 12.94 N +ATOM 899 CA ASP A 116 38.895 33.485 21.915 1.00 11.35 C +ATOM 900 C ASP A 116 40.193 34.252 21.777 1.00 12.80 C +ATOM 901 O ASP A 116 41.275 33.722 21.540 1.00 15.09 O +ATOM 902 CB ASP A 116 39.109 31.980 22.162 1.00 11.03 C +ATOM 903 CG ASP A 116 37.808 31.302 22.598 1.00 21.60 C +ATOM 904 OD1 ASP A 116 37.045 31.806 23.403 1.00 25.68 O +ATOM 905 OD2 ASP A 116 37.527 30.154 21.986 1.00 14.13 O +ATOM 906 N ALA A 117 40.081 35.561 21.933 1.00 18.49 N +ATOM 907 CA ALA A 117 41.247 36.416 21.816 1.00 12.04 C +ATOM 908 C ALA A 117 41.220 37.442 22.926 1.00 12.20 C +ATOM 909 O ALA A 117 40.179 37.959 23.332 1.00 11.94 O +ATOM 910 CB ALA A 117 41.175 37.132 20.476 1.00 10.48 C +ATOM 911 N GLU A 118 42.367 37.716 23.445 1.00 12.34 N +ATOM 912 CA GLU A 118 42.362 38.685 24.480 1.00 15.77 C +ATOM 913 C GLU A 118 42.924 39.981 23.934 1.00 14.20 C +ATOM 914 O GLU A 118 44.118 40.088 23.643 1.00 20.91 O +ATOM 915 CB GLU A 118 43.194 38.197 25.681 1.00 32.31 C +ATOM 916 CG GLU A 118 43.350 39.384 26.648 1.00 51.92 C +ATOM 917 CD GLU A 118 44.505 39.313 27.610 1.00 64.86 C +ATOM 918 OE1 GLU A 118 45.355 38.315 27.376 1.00 67.24 O +ATOM 919 OE2 GLU A 118 44.632 40.140 28.500 1.00 67.94 O +ATOM 920 N VAL A 119 42.111 41.001 23.776 1.00 26.65 N +ATOM 921 CA VAL A 119 42.642 42.283 23.267 1.00 28.34 C +ATOM 922 C VAL A 119 42.015 43.461 23.999 1.00 27.08 C +ATOM 923 O VAL A 119 40.921 43.405 24.583 1.00 22.42 O +ATOM 924 CB VAL A 119 42.283 42.563 21.820 1.00 26.61 C +ATOM 925 CG1 VAL A 119 42.578 41.413 20.877 1.00 28.06 C +ATOM 926 CG2 VAL A 119 40.821 42.910 21.790 1.00 31.19 C +ATOM 927 N GLU A 120 42.703 44.548 23.950 1.00 34.99 N +ATOM 928 CA GLU A 120 42.138 45.677 24.581 1.00 46.81 C +ATOM 929 C GLU A 120 41.483 46.434 23.432 1.00 38.33 C +ATOM 930 O GLU A 120 41.924 46.346 22.287 1.00 31.81 O +ATOM 931 CB GLU A 120 43.195 46.479 25.378 1.00 67.75 C +ATOM 932 CG GLU A 120 42.771 46.835 26.829 1.00 82.69 C +ATOM 933 CD GLU A 120 43.958 46.954 27.742 1.00 92.90 C +ATOM 934 OE1 GLU A 120 44.750 46.051 27.921 1.00 94.78 O +ATOM 935 OE2 GLU A 120 44.124 48.162 28.216 1.00100.00 O +ATOM 936 N GLY A 121 40.423 47.160 23.731 1.00 38.34 N +ATOM 937 CA GLY A 121 39.725 47.929 22.731 1.00 38.53 C +ATOM 938 C GLY A 121 39.036 49.052 23.473 1.00 41.24 C +ATOM 939 O GLY A 121 39.081 49.089 24.718 1.00 40.59 O +ATOM 940 N ASP A 122 38.425 49.961 22.712 1.00 36.12 N +ATOM 941 CA ASP A 122 37.736 51.073 23.287 1.00 32.42 C +ATOM 942 C ASP A 122 36.269 50.913 23.182 1.00 29.21 C +ATOM 943 O ASP A 122 35.520 51.742 23.670 1.00 37.31 O +ATOM 944 CB ASP A 122 38.158 52.413 22.674 1.00 43.18 C +ATOM 945 CG ASP A 122 38.575 52.340 21.237 1.00 46.95 C +ATOM 946 OD1 ASP A 122 37.936 51.754 20.399 1.00 49.61 O +ATOM 947 OD2 ASP A 122 39.758 52.864 21.029 1.00 45.86 O +ATOM 948 N THR A 123 35.858 49.843 22.538 1.00 13.69 N +ATOM 949 CA THR A 123 34.445 49.624 22.367 1.00 15.14 C +ATOM 950 C THR A 123 34.096 48.206 22.604 1.00 9.20 C +ATOM 951 O THR A 123 34.840 47.279 22.229 1.00 13.40 O +ATOM 952 CB THR A 123 34.078 49.913 20.904 1.00 22.20 C +ATOM 953 OG1 THR A 123 34.991 50.867 20.434 1.00 22.58 O +ATOM 954 CG2 THR A 123 32.666 50.445 20.866 1.00 29.40 C +ATOM 955 N HIS A 124 32.938 48.131 23.174 1.00 6.33 N +ATOM 956 CA HIS A 124 32.274 46.971 23.600 1.00 13.13 C +ATOM 957 C HIS A 124 30.854 46.883 23.122 1.00 16.25 C +ATOM 958 O HIS A 124 30.111 47.894 22.942 1.00 19.83 O +ATOM 959 CB HIS A 124 32.144 47.089 25.128 1.00 16.22 C +ATOM 960 CG HIS A 124 33.487 47.258 25.707 1.00 18.25 C +ATOM 961 ND1 HIS A 124 34.145 46.159 26.283 1.00 18.29 N +ATOM 962 CD2 HIS A 124 34.296 48.366 25.775 1.00 12.92 C +ATOM 963 CE1 HIS A 124 35.349 46.614 26.688 1.00 15.69 C +ATOM 964 NE2 HIS A 124 35.471 47.917 26.385 1.00 13.62 N +ATOM 965 N PHE A 125 30.503 45.605 22.922 1.00 9.14 N +ATOM 966 CA PHE A 125 29.171 45.258 22.478 1.00 13.33 C +ATOM 967 C PHE A 125 28.264 45.571 23.661 1.00 16.39 C +ATOM 968 O PHE A 125 28.699 45.601 24.811 1.00 16.89 O +ATOM 969 CB PHE A 125 29.118 43.739 22.178 1.00 5.63 C +ATOM 970 CG PHE A 125 27.851 43.361 21.421 1.00 9.13 C +ATOM 971 CD1 PHE A 125 27.719 43.709 20.079 1.00 4.28 C +ATOM 972 CD2 PHE A 125 26.811 42.643 22.017 1.00 9.21 C +ATOM 973 CE1 PHE A 125 26.576 43.393 19.347 1.00 4.07 C +ATOM 974 CE2 PHE A 125 25.665 42.296 21.289 1.00 10.13 C +ATOM 975 CZ PHE A 125 25.548 42.665 19.949 1.00 5.84 C +ATOM 976 N PRO A 126 27.030 45.807 23.409 1.00 14.28 N +ATOM 977 CA PRO A 126 26.122 46.086 24.472 1.00 15.85 C +ATOM 978 C PRO A 126 25.839 44.889 25.368 1.00 23.77 C +ATOM 979 O PRO A 126 25.700 43.757 24.915 1.00 26.62 O +ATOM 980 CB PRO A 126 24.791 46.430 23.840 1.00 11.22 C +ATOM 981 CG PRO A 126 24.997 46.494 22.340 1.00 15.18 C +ATOM 982 CD PRO A 126 26.487 46.239 22.104 1.00 19.04 C +ATOM 983 N ASP A 127 25.731 45.151 26.662 1.00 31.61 N +ATOM 984 CA ASP A 127 25.449 44.088 27.591 1.00 39.15 C +ATOM 985 C ASP A 127 23.984 43.657 27.455 1.00 30.77 C +ATOM 986 O ASP A 127 23.093 44.324 27.964 1.00 35.03 O +ATOM 987 CB ASP A 127 25.740 44.512 29.067 1.00 48.67 C +ATOM 988 CG ASP A 127 25.909 43.329 30.044 1.00 61.28 C +ATOM 989 OD1 ASP A 127 26.311 42.212 29.701 1.00 68.06 O +ATOM 990 OD2 ASP A 127 25.611 43.614 31.308 1.00 62.01 O +ATOM 991 N TYR A 128 23.691 42.556 26.797 1.00 20.22 N +ATOM 992 CA TYR A 128 22.279 42.178 26.712 1.00 22.92 C +ATOM 993 C TYR A 128 21.835 41.125 27.706 1.00 27.05 C +ATOM 994 O TYR A 128 22.652 40.325 28.106 1.00 28.43 O +ATOM 995 CB TYR A 128 21.943 41.562 25.385 1.00 21.39 C +ATOM 996 CG TYR A 128 22.775 40.343 25.070 1.00 23.14 C +ATOM 997 CD1 TYR A 128 24.062 40.534 24.570 1.00 18.68 C +ATOM 998 CD2 TYR A 128 22.300 39.038 25.225 1.00 17.86 C +ATOM 999 CE1 TYR A 128 24.888 39.459 24.245 1.00 16.04 C +ATOM 1000 CE2 TYR A 128 23.103 37.951 24.869 1.00 19.13 C +ATOM 1001 CZ TYR A 128 24.399 38.164 24.394 1.00 16.10 C +ATOM 1002 OH TYR A 128 25.219 37.146 24.075 1.00 22.80 O +ATOM 1003 N GLU A 129 20.534 41.135 28.061 1.00 28.79 N +ATOM 1004 CA GLU A 129 19.888 40.185 28.996 1.00 23.64 C +ATOM 1005 C GLU A 129 19.843 38.790 28.354 1.00 15.42 C +ATOM 1006 O GLU A 129 19.101 38.504 27.455 1.00 17.52 O +ATOM 1007 CB GLU A 129 18.484 40.693 29.464 1.00 28.20 C +ATOM 1008 CG GLU A 129 17.699 39.738 30.430 1.00 42.29 C +ATOM 1009 CD GLU A 129 18.464 39.217 31.647 1.00 47.87 C +ATOM 1010 OE1 GLU A 129 18.955 39.961 32.519 1.00 50.07 O +ATOM 1011 OE2 GLU A 129 18.544 37.882 31.659 1.00 41.89 O +ATOM 1012 N PRO A 130 20.641 37.882 28.814 1.00 15.52 N +ATOM 1013 CA PRO A 130 20.638 36.597 28.219 1.00 16.13 C +ATOM 1014 C PRO A 130 19.379 35.844 28.397 1.00 21.34 C +ATOM 1015 O PRO A 130 19.194 34.802 27.756 1.00 25.05 O +ATOM 1016 CB PRO A 130 21.764 35.822 28.873 1.00 21.52 C +ATOM 1017 CG PRO A 130 22.043 36.546 30.163 1.00 19.75 C +ATOM 1018 CD PRO A 130 21.621 37.962 29.923 1.00 19.15 C +ATOM 1019 N ASP A 131 18.513 36.314 29.278 1.00 14.47 N +ATOM 1020 CA ASP A 131 17.282 35.574 29.436 1.00 11.93 C +ATOM 1021 C ASP A 131 16.344 35.889 28.267 1.00 18.74 C +ATOM 1022 O ASP A 131 15.468 35.116 27.914 1.00 16.01 O +ATOM 1023 CB ASP A 131 16.517 35.979 30.714 1.00 13.31 C +ATOM 1024 CG ASP A 131 17.115 35.382 31.970 1.00 17.76 C +ATOM 1025 OD1 ASP A 131 18.209 34.638 31.778 1.00 15.27 O +ATOM 1026 OD2 ASP A 131 16.657 35.639 33.061 1.00 15.84 O +ATOM 1027 N ASP A 132 16.493 37.064 27.666 1.00 19.59 N +ATOM 1028 CA ASP A 132 15.587 37.383 26.547 1.00 27.90 C +ATOM 1029 C ASP A 132 15.862 36.648 25.200 1.00 17.50 C +ATOM 1030 O ASP A 132 15.064 36.669 24.246 1.00 12.10 O +ATOM 1031 CB ASP A 132 15.666 38.915 26.278 1.00 33.78 C +ATOM 1032 CG ASP A 132 14.932 39.771 27.296 1.00 48.45 C +ATOM 1033 OD1 ASP A 132 14.250 39.325 28.208 1.00 50.02 O +ATOM 1034 OD2 ASP A 132 15.073 41.055 27.058 1.00 58.00 O +ATOM 1035 N TRP A 133 17.011 36.047 25.122 1.00 14.62 N +ATOM 1036 CA TRP A 133 17.448 35.372 23.921 1.00 11.77 C +ATOM 1037 C TRP A 133 17.618 33.865 23.954 1.00 19.49 C +ATOM 1038 O TRP A 133 18.058 33.244 24.925 1.00 22.54 O +ATOM 1039 CB TRP A 133 18.806 35.967 23.543 1.00 12.97 C +ATOM 1040 CG TRP A 133 18.702 37.438 23.412 1.00 16.01 C +ATOM 1041 CD1 TRP A 133 18.881 38.342 24.408 1.00 14.63 C +ATOM 1042 CD2 TRP A 133 18.320 38.186 22.207 1.00 19.22 C +ATOM 1043 NE1 TRP A 133 18.672 39.622 23.893 1.00 19.96 N +ATOM 1044 CE2 TRP A 133 18.316 39.558 22.563 1.00 18.41 C +ATOM 1045 CE3 TRP A 133 18.026 37.831 20.857 1.00 14.92 C +ATOM 1046 CZ2 TRP A 133 18.026 40.560 21.621 1.00 15.13 C +ATOM 1047 CZ3 TRP A 133 17.702 38.812 19.924 1.00 14.09 C +ATOM 1048 CH2 TRP A 133 17.717 40.172 20.308 1.00 10.59 C +ATOM 1049 N GLU A 134 17.293 33.248 22.848 1.00 12.50 N +ATOM 1050 CA GLU A 134 17.440 31.817 22.769 1.00 12.34 C +ATOM 1051 C GLU A 134 18.533 31.457 21.788 1.00 12.96 C +ATOM 1052 O GLU A 134 18.539 31.948 20.642 1.00 11.42 O +ATOM 1053 CB GLU A 134 16.125 31.162 22.384 1.00 17.27 C +ATOM 1054 CG GLU A 134 16.283 29.650 22.255 1.00 22.71 C +ATOM 1055 CD GLU A 134 15.045 29.032 21.727 1.00 36.51 C +ATOM 1056 OE1 GLU A 134 14.157 29.665 21.173 1.00 40.47 O +ATOM 1057 OE2 GLU A 134 15.013 27.755 21.995 1.00 46.14 O +ATOM 1058 N SER A 135 19.471 30.614 22.206 1.00 13.99 N +ATOM 1059 CA SER A 135 20.535 30.258 21.269 1.00 13.89 C +ATOM 1060 C SER A 135 20.100 29.173 20.320 1.00 16.99 C +ATOM 1061 O SER A 135 20.033 28.055 20.727 1.00 19.50 O +ATOM 1062 CB SER A 135 21.769 29.827 21.985 1.00 16.68 C +ATOM 1063 OG SER A 135 22.668 29.279 21.061 1.00 19.76 O +ATOM 1064 N VAL A 136 19.791 29.490 19.066 1.00 13.09 N +ATOM 1065 CA VAL A 136 19.322 28.507 18.093 1.00 12.44 C +ATOM 1066 C VAL A 136 20.385 27.916 17.178 1.00 19.55 C +ATOM 1067 O VAL A 136 20.143 26.970 16.392 1.00 22.04 O +ATOM 1068 CB VAL A 136 18.241 29.158 17.286 1.00 14.99 C +ATOM 1069 CG1 VAL A 136 17.198 29.683 18.266 1.00 5.25 C +ATOM 1070 CG2 VAL A 136 18.812 30.316 16.470 1.00 12.36 C +ATOM 1071 N PHE A 137 21.600 28.442 17.274 1.00 9.01 N +ATOM 1072 CA PHE A 137 22.622 27.905 16.428 1.00 4.74 C +ATOM 1073 C PHE A 137 23.933 28.220 17.031 1.00 11.30 C +ATOM 1074 O PHE A 137 24.152 29.359 17.456 1.00 17.35 O +ATOM 1075 CB PHE A 137 22.525 28.589 15.065 1.00 13.11 C +ATOM 1076 CG PHE A 137 23.686 28.111 14.273 1.00 17.10 C +ATOM 1077 CD1 PHE A 137 23.611 26.870 13.635 1.00 17.14 C +ATOM 1078 CD2 PHE A 137 24.848 28.876 14.195 1.00 11.47 C +ATOM 1079 CE1 PHE A 137 24.686 26.381 12.888 1.00 20.77 C +ATOM 1080 CE2 PHE A 137 25.928 28.414 13.442 1.00 15.79 C +ATOM 1081 CZ PHE A 137 25.837 27.176 12.794 1.00 24.09 C +ATOM 1082 N SER A 138 24.799 27.226 17.081 1.00 10.47 N +ATOM 1083 CA SER A 138 26.106 27.425 17.688 1.00 17.76 C +ATOM 1084 C SER A 138 27.100 26.403 17.184 1.00 18.18 C +ATOM 1085 O SER A 138 26.904 25.218 17.397 1.00 17.85 O +ATOM 1086 CB SER A 138 25.890 27.199 19.181 1.00 21.02 C +ATOM 1087 OG SER A 138 27.101 27.139 19.910 1.00 33.06 O +ATOM 1088 N GLU A 139 28.166 26.864 16.535 1.00 16.47 N +ATOM 1089 CA GLU A 139 29.213 26.009 15.984 1.00 9.59 C +ATOM 1090 C GLU A 139 30.600 26.538 16.360 1.00 12.66 C +ATOM 1091 O GLU A 139 31.024 27.642 15.992 1.00 10.17 O +ATOM 1092 CB GLU A 139 28.950 25.747 14.473 1.00 27.36 C +ATOM 1093 CG GLU A 139 29.730 26.688 13.540 1.00 39.04 C +ATOM 1094 CD GLU A 139 29.858 26.228 12.080 1.00 44.84 C +ATOM 1095 OE1 GLU A 139 29.294 25.174 11.711 1.00 54.46 O +ATOM 1096 OE2 GLU A 139 30.531 26.935 11.290 1.00 27.86 O +ATOM 1097 N PHE A 140 31.331 25.756 17.165 1.00 5.56 N +ATOM 1098 CA PHE A 140 32.661 26.104 17.632 1.00 9.94 C +ATOM 1099 C PHE A 140 33.741 25.579 16.674 1.00 16.00 C +ATOM 1100 O PHE A 140 33.601 24.530 16.095 1.00 26.09 O +ATOM 1101 CB PHE A 140 32.904 25.442 19.029 1.00 12.43 C +ATOM 1102 CG PHE A 140 34.332 25.557 19.523 1.00 18.51 C +ATOM 1103 CD1 PHE A 140 34.807 26.744 20.079 1.00 15.36 C +ATOM 1104 CD2 PHE A 140 35.221 24.489 19.426 1.00 22.23 C +ATOM 1105 CE1 PHE A 140 36.118 26.864 20.532 1.00 16.07 C +ATOM 1106 CE2 PHE A 140 36.539 24.584 19.873 1.00 20.51 C +ATOM 1107 CZ PHE A 140 36.991 25.780 20.429 1.00 21.35 C +ATOM 1108 N HIS A 141 34.824 26.290 16.558 1.00 10.78 N +ATOM 1109 CA HIS A 141 35.969 25.959 15.740 1.00 12.67 C +ATOM 1110 C HIS A 141 37.285 26.296 16.340 1.00 14.49 C +ATOM 1111 O HIS A 141 37.473 27.375 16.940 1.00 17.58 O +ATOM 1112 CB HIS A 141 36.029 26.773 14.459 1.00 13.32 C +ATOM 1113 CG HIS A 141 34.797 26.597 13.741 1.00 13.21 C +ATOM 1114 ND1 HIS A 141 34.706 25.663 12.744 1.00 18.93 N +ATOM 1115 CD2 HIS A 141 33.615 27.259 13.891 1.00 20.16 C +ATOM 1116 CE1 HIS A 141 33.453 25.764 12.286 1.00 24.87 C +ATOM 1117 NE2 HIS A 141 32.776 26.721 12.956 1.00 26.36 N +ATOM 1118 N ASP A 142 38.203 25.354 16.142 1.00 13.08 N +ATOM 1119 CA ASP A 142 39.574 25.483 16.604 1.00 15.29 C +ATOM 1120 C ASP A 142 40.331 26.332 15.625 1.00 17.78 C +ATOM 1121 O ASP A 142 40.031 26.395 14.431 1.00 22.90 O +ATOM 1122 CB ASP A 142 40.351 24.132 16.558 1.00 25.03 C +ATOM 1123 CG ASP A 142 40.050 23.318 17.750 1.00 28.16 C +ATOM 1124 OD1 ASP A 142 40.348 23.695 18.870 1.00 32.07 O +ATOM 1125 OD2 ASP A 142 39.216 22.349 17.484 1.00 31.39 O +ATOM 1126 N ALA A 143 41.336 26.971 16.161 1.00 18.57 N +ATOM 1127 CA ALA A 143 42.180 27.802 15.384 1.00 17.32 C +ATOM 1128 C ALA A 143 42.759 26.947 14.268 1.00 22.45 C +ATOM 1129 O ALA A 143 42.777 25.737 14.369 1.00 20.52 O +ATOM 1130 CB ALA A 143 43.341 28.041 16.297 1.00 11.56 C +ATOM 1131 N ASP A 144 43.241 27.555 13.220 1.00 20.72 N +ATOM 1132 CA ASP A 144 43.836 26.775 12.189 1.00 21.99 C +ATOM 1133 C ASP A 144 44.931 27.617 11.605 1.00 27.79 C +ATOM 1134 O ASP A 144 45.257 28.685 12.134 1.00 24.05 O +ATOM 1135 CB ASP A 144 42.902 26.162 11.152 1.00 23.41 C +ATOM 1136 CG ASP A 144 42.062 27.150 10.377 1.00 21.90 C +ATOM 1137 OD1 ASP A 144 42.464 28.239 10.034 1.00 21.63 O +ATOM 1138 OD2 ASP A 144 40.837 26.711 10.166 1.00 17.73 O +ATOM 1139 N ALA A 145 45.497 27.151 10.517 1.00 27.81 N +ATOM 1140 CA ALA A 145 46.564 27.885 9.871 1.00 23.39 C +ATOM 1141 C ALA A 145 46.098 29.203 9.328 1.00 18.91 C +ATOM 1142 O ALA A 145 46.914 30.069 9.084 1.00 17.54 O +ATOM 1143 CB ALA A 145 46.984 27.099 8.626 1.00 24.62 C +ATOM 1144 N GLN A 146 44.798 29.308 9.101 1.00 20.05 N +ATOM 1145 CA GLN A 146 44.253 30.546 8.544 1.00 25.85 C +ATOM 1146 C GLN A 146 43.732 31.500 9.603 1.00 25.80 C +ATOM 1147 O GLN A 146 43.877 32.729 9.473 1.00 25.61 O +ATOM 1148 CB GLN A 146 43.095 30.270 7.572 1.00 27.29 C +ATOM 1149 CG GLN A 146 43.444 29.299 6.448 1.00 43.01 C +ATOM 1150 CD GLN A 146 42.306 29.249 5.451 1.00 57.13 C +ATOM 1151 OE1 GLN A 146 41.984 28.178 4.894 1.00 63.89 O +ATOM 1152 NE2 GLN A 146 41.697 30.424 5.219 1.00 57.52 N +ATOM 1153 N ASN A 147 43.105 30.885 10.622 1.00 20.92 N +ATOM 1154 CA ASN A 147 42.524 31.559 11.751 1.00 15.91 C +ATOM 1155 C ASN A 147 43.387 31.295 12.952 1.00 13.85 C +ATOM 1156 O ASN A 147 43.493 30.186 13.409 1.00 15.38 O +ATOM 1157 CB ASN A 147 41.101 31.062 11.968 1.00 20.13 C +ATOM 1158 CG ASN A 147 40.272 31.233 10.694 1.00 18.53 C +ATOM 1159 OD1 ASN A 147 39.806 32.352 10.343 1.00 11.41 O +ATOM 1160 ND2 ASN A 147 40.302 30.174 9.881 1.00 7.11 N +ATOM 1161 N SER A 148 43.984 32.323 13.460 1.00 16.97 N +ATOM 1162 CA SER A 148 44.859 32.232 14.623 1.00 23.63 C +ATOM 1163 C SER A 148 44.150 32.144 15.982 1.00 25.02 C +ATOM 1164 O SER A 148 44.823 32.192 17.000 1.00 31.71 O +ATOM 1165 CB SER A 148 45.729 33.447 14.625 1.00 32.92 C +ATOM 1166 OG SER A 148 44.869 34.472 14.139 1.00 49.95 O +ATOM 1167 N HIS A 149 42.824 32.023 16.035 1.00 18.48 N +ATOM 1168 CA HIS A 149 42.143 31.932 17.312 1.00 13.97 C +ATOM 1169 C HIS A 149 40.997 31.026 17.175 1.00 17.69 C +ATOM 1170 O HIS A 149 40.458 30.843 16.106 1.00 20.70 O +ATOM 1171 CB HIS A 149 41.453 33.214 17.869 1.00 16.33 C +ATOM 1172 CG HIS A 149 42.384 34.329 18.155 1.00 12.93 C +ATOM 1173 ND1 HIS A 149 43.143 34.354 19.297 1.00 14.55 N +ATOM 1174 CD2 HIS A 149 42.662 35.416 17.427 1.00 8.06 C +ATOM 1175 CE1 HIS A 149 43.881 35.440 19.240 1.00 13.67 C +ATOM 1176 NE2 HIS A 149 43.621 36.083 18.128 1.00 11.93 N +ATOM 1177 N SER A 150 40.591 30.487 18.272 1.00 12.93 N +ATOM 1178 CA SER A 150 39.452 29.656 18.132 1.00 18.75 C +ATOM 1179 C SER A 150 38.249 30.575 18.139 1.00 14.34 C +ATOM 1180 O SER A 150 38.309 31.703 18.699 1.00 7.25 O +ATOM 1181 CB SER A 150 39.364 28.638 19.248 1.00 25.27 C +ATOM 1182 OG SER A 150 39.887 29.236 20.407 1.00 26.77 O +ATOM 1183 N TYR A 151 37.145 30.086 17.526 1.00 9.30 N +ATOM 1184 CA TYR A 151 35.960 30.937 17.518 1.00 11.07 C +ATOM 1185 C TYR A 151 34.725 30.101 17.444 1.00 14.01 C +ATOM 1186 O TYR A 151 34.768 28.911 17.077 1.00 16.06 O +ATOM 1187 CB TYR A 151 36.003 31.940 16.302 1.00 8.13 C +ATOM 1188 CG TYR A 151 36.241 31.141 15.059 1.00 6.63 C +ATOM 1189 CD1 TYR A 151 37.511 30.674 14.737 1.00 11.20 C +ATOM 1190 CD2 TYR A 151 35.166 30.845 14.235 1.00 6.10 C +ATOM 1191 CE1 TYR A 151 37.731 29.911 13.592 1.00 13.64 C +ATOM 1192 CE2 TYR A 151 35.373 30.087 13.097 1.00 10.73 C +ATOM 1193 CZ TYR A 151 36.641 29.647 12.774 1.00 9.84 C +ATOM 1194 OH TYR A 151 36.792 28.910 11.665 1.00 21.32 O +ATOM 1195 N CYS A 152 33.618 30.741 17.785 1.00 13.78 N +ATOM 1196 CA CYS A 152 32.345 30.084 17.770 1.00 8.02 C +ATOM 1197 C CYS A 152 31.315 30.988 17.115 1.00 13.15 C +ATOM 1198 O CYS A 152 31.210 32.181 17.459 1.00 15.15 O +ATOM 1199 CB CYS A 152 31.897 29.763 19.227 1.00 7.81 C +ATOM 1200 SG CYS A 152 30.294 28.889 19.455 1.00 23.20 S +ATOM 1201 N PHE A 153 30.549 30.415 16.162 1.00 7.50 N +ATOM 1202 CA PHE A 153 29.525 31.197 15.511 1.00 2.21 C +ATOM 1203 C PHE A 153 28.309 30.955 16.297 1.00 5.62 C +ATOM 1204 O PHE A 153 28.024 29.792 16.635 1.00 7.44 O +ATOM 1205 CB PHE A 153 29.239 30.751 14.062 1.00 2.17 C +ATOM 1206 CG PHE A 153 30.411 31.074 13.198 1.00 6.80 C +ATOM 1207 CD1 PHE A 153 30.926 32.373 13.147 1.00 7.08 C +ATOM 1208 CD2 PHE A 153 31.030 30.084 12.430 1.00 9.18 C +ATOM 1209 CE1 PHE A 153 32.042 32.683 12.363 1.00 7.28 C +ATOM 1210 CE2 PHE A 153 32.149 30.386 11.641 1.00 3.85 C +ATOM 1211 CZ PHE A 153 32.655 31.688 11.599 1.00 7.81 C +ATOM 1212 N GLU A 154 27.559 32.027 16.569 1.00 10.82 N +ATOM 1213 CA GLU A 154 26.365 31.747 17.315 1.00 10.05 C +ATOM 1214 C GLU A 154 25.190 32.562 16.831 1.00 12.98 C +ATOM 1215 O GLU A 154 25.374 33.764 16.495 1.00 9.60 O +ATOM 1216 CB GLU A 154 26.578 32.173 18.759 1.00 9.98 C +ATOM 1217 CG GLU A 154 25.339 31.740 19.582 1.00 9.37 C +ATOM 1218 CD GLU A 154 25.429 31.987 21.088 1.00 17.27 C +ATOM 1219 OE1 GLU A 154 26.249 32.946 21.481 1.00 9.37 O +ATOM 1220 OE2 GLU A 154 24.675 31.459 21.865 1.00 20.63 O +ATOM 1221 N ILE A 155 24.000 31.924 16.833 1.00 1.33 N +ATOM 1222 CA ILE A 155 22.808 32.679 16.425 1.00 7.13 C +ATOM 1223 C ILE A 155 21.762 32.645 17.498 1.00 10.92 C +ATOM 1224 O ILE A 155 21.347 31.544 17.945 1.00 9.46 O +ATOM 1225 CB ILE A 155 22.136 32.181 15.169 1.00 8.95 C +ATOM 1226 CG1 ILE A 155 23.129 32.191 14.001 1.00 1.03 C +ATOM 1227 CG2 ILE A 155 20.861 32.980 14.865 1.00 12.64 C +ATOM 1228 CD1 ILE A 155 22.439 31.692 12.702 1.00 11.01 C +ATOM 1229 N LEU A 156 21.318 33.858 17.892 1.00 3.94 N +ATOM 1230 CA LEU A 156 20.297 34.054 18.925 1.00 4.88 C +ATOM 1231 C LEU A 156 19.049 34.726 18.370 1.00 4.85 C +ATOM 1232 O LEU A 156 19.115 35.642 17.573 1.00 11.76 O +ATOM 1233 CB LEU A 156 20.727 35.026 20.099 1.00 2.28 C +ATOM 1234 CG LEU A 156 22.069 34.892 20.889 1.00 10.74 C +ATOM 1235 CD1 LEU A 156 21.902 34.347 22.281 1.00 17.61 C +ATOM 1236 CD2 LEU A 156 23.005 33.974 20.187 1.00 17.38 C +ATOM 1237 N GLU A 157 17.910 34.308 18.862 1.00 5.43 N +ATOM 1238 CA GLU A 157 16.639 34.854 18.486 1.00 10.71 C +ATOM 1239 C GLU A 157 15.877 35.293 19.712 1.00 19.30 C +ATOM 1240 O GLU A 157 15.698 34.495 20.643 1.00 17.02 O +ATOM 1241 CB GLU A 157 15.813 33.734 17.908 1.00 14.95 C +ATOM 1242 CG GLU A 157 16.543 33.151 16.690 1.00 22.36 C +ATOM 1243 CD GLU A 157 15.535 32.469 15.828 1.00 33.21 C +ATOM 1244 OE1 GLU A 157 14.553 31.919 16.295 1.00 41.40 O +ATOM 1245 OE2 GLU A 157 15.764 32.625 14.545 1.00 30.70 O +ATOM 1246 N ARG A 158 15.404 36.550 19.730 1.00 8.57 N +ATOM 1247 CA ARG A 158 14.638 37.058 20.899 1.00 12.83 C +ATOM 1248 C ARG A 158 13.423 36.169 21.326 1.00 13.88 C +ATOM 1249 O ARG A 158 12.618 35.748 20.524 1.00 16.46 O +ATOM 1250 CB ARG A 158 14.155 38.444 20.581 1.00 15.36 C +ATOM 1251 CG ARG A 158 13.420 39.027 21.752 1.00 20.00 C +ATOM 1252 CD ARG A 158 13.030 40.466 21.503 1.00 21.49 C +ATOM 1253 NE ARG A 158 14.100 41.362 21.111 1.00 23.14 N +ATOM 1254 CZ ARG A 158 14.867 42.040 21.985 1.00 25.02 C +ATOM 1255 NH1 ARG A 158 14.697 41.905 23.289 1.00 24.81 N +ATOM 1256 NH2 ARG A 158 15.834 42.867 21.547 1.00 27.24 N +ATOM 1257 N ARG A 159 13.239 35.866 22.587 1.00 9.91 N +ATOM 1258 CA ARG A 159 12.127 35.027 22.922 1.00 10.04 C +ATOM 1259 C ARG A 159 10.772 35.630 22.735 1.00 8.76 C +ATOM 1260 O ARG A 159 10.625 36.718 23.194 1.00 9.64 O +ATOM 1261 CB ARG A 159 12.244 34.474 24.315 1.00 13.93 C +ATOM 1262 CG ARG A 159 13.262 33.373 24.480 1.00 24.70 C +ATOM 1263 CD ARG A 159 13.401 33.051 25.969 1.00 29.51 C +ATOM 1264 NE ARG A 159 14.691 32.482 26.323 1.00 30.41 N +ATOM 1265 CZ ARG A 159 14.954 31.215 26.045 1.00 27.76 C +ATOM 1266 NH1 ARG A 159 14.034 30.441 25.437 1.00 20.59 N +ATOM 1267 NH2 ARG A 159 16.139 30.724 26.389 1.00 29.35 N +ATOM 1268 OXT ARG A 159 9.767 34.928 22.444 1.00 7.89 O +TER 1269 ARG A 159 +END diff --git a/bench/main_benchmark/structures/SFB_AL_DHFR_1RX1A_1RX4A/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_DHFR_1RX1A_1RX4A/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7ca731a17454b4d1a423e47f17124571d9789e64 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_DHFR_1RX1A_1RX4A/state_b.pdb @@ -0,0 +1,1270 @@ +ATOM 1 N MET A 1 12.004 42.323 10.823 1.00 19.45 N +ATOM 2 CA MET A 1 12.781 41.936 11.974 1.00 15.84 C +ATOM 3 C MET A 1 14.160 42.540 11.950 1.00 13.24 C +ATOM 4 O MET A 1 14.868 42.460 10.931 1.00 11.85 O +ATOM 5 CB MET A 1 13.029 40.451 11.847 1.00 22.79 C +ATOM 6 CG MET A 1 13.433 39.830 13.128 1.00 35.20 C +ATOM 7 SD MET A 1 13.791 38.100 12.842 1.00 50.22 S +ATOM 8 CE MET A 1 14.934 38.229 11.426 1.00 50.61 C +ATOM 9 N ILE A 2 14.534 43.094 13.092 1.00 9.01 N +ATOM 10 CA ILE A 2 15.842 43.707 13.237 1.00 6.40 C +ATOM 11 C ILE A 2 16.924 42.821 13.821 1.00 14.59 C +ATOM 12 O ILE A 2 16.770 42.176 14.870 1.00 21.90 O +ATOM 13 CB ILE A 2 15.781 45.036 13.927 1.00 5.63 C +ATOM 14 CG1 ILE A 2 14.896 45.989 13.121 1.00 1.00 C +ATOM 15 CG2 ILE A 2 17.194 45.614 14.060 1.00 12.07 C +ATOM 16 CD1 ILE A 2 14.460 47.159 13.934 1.00 7.16 C +ATOM 17 N SER A 3 18.052 42.788 13.120 1.00 12.32 N +ATOM 18 CA SER A 3 19.144 41.991 13.580 1.00 1.00 C +ATOM 19 C SER A 3 20.435 42.720 13.704 1.00 5.26 C +ATOM 20 O SER A 3 20.708 43.593 12.907 1.00 14.39 O +ATOM 21 CB SER A 3 19.353 40.858 12.664 1.00 4.03 C +ATOM 22 OG SER A 3 18.394 39.888 13.039 1.00 12.04 O +ATOM 23 N LEU A 4 21.208 42.349 14.743 1.00 1.29 N +ATOM 24 CA LEU A 4 22.546 42.924 15.015 1.00 6.76 C +ATOM 25 C LEU A 4 23.625 41.887 14.704 1.00 6.35 C +ATOM 26 O LEU A 4 23.481 40.701 15.067 1.00 19.08 O +ATOM 27 CB LEU A 4 22.715 43.299 16.513 1.00 14.07 C +ATOM 28 CG LEU A 4 22.205 44.702 16.853 1.00 15.80 C +ATOM 29 CD1 LEU A 4 20.704 44.840 16.664 1.00 11.61 C +ATOM 30 CD2 LEU A 4 22.700 45.184 18.196 1.00 15.41 C +ATOM 31 N ILE A 5 24.720 42.286 14.086 1.00 9.83 N +ATOM 32 CA ILE A 5 25.770 41.301 13.796 1.00 5.55 C +ATOM 33 C ILE A 5 27.071 41.860 14.212 1.00 12.29 C +ATOM 34 O ILE A 5 27.498 42.931 13.705 1.00 15.41 O +ATOM 35 CB ILE A 5 25.825 40.896 12.328 1.00 11.61 C +ATOM 36 CG1 ILE A 5 26.929 39.892 12.054 1.00 15.75 C +ATOM 37 CG2 ILE A 5 25.994 42.156 11.487 1.00 6.32 C +ATOM 38 CD1 ILE A 5 26.637 38.971 10.849 1.00 14.01 C +ATOM 39 N ALA A 6 27.704 41.133 15.119 1.00 7.49 N +ATOM 40 CA ALA A 6 28.933 41.671 15.541 1.00 3.46 C +ATOM 41 C ALA A 6 30.015 40.703 15.974 1.00 8.77 C +ATOM 42 O ALA A 6 29.786 39.534 16.267 1.00 11.88 O +ATOM 43 CB ALA A 6 28.491 42.502 16.713 1.00 2.74 C +ATOM 44 N ALA A 7 31.246 41.222 16.030 1.00 7.44 N +ATOM 45 CA ALA A 7 32.391 40.369 16.444 1.00 6.56 C +ATOM 46 C ALA A 7 32.881 40.770 17.789 1.00 11.74 C +ATOM 47 O ALA A 7 33.213 41.929 18.000 1.00 13.96 O +ATOM 48 CB ALA A 7 33.518 40.529 15.497 1.00 4.28 C +ATOM 49 N LEU A 8 32.938 39.868 18.749 1.00 22.02 N +ATOM 50 CA LEU A 8 33.415 40.384 20.042 1.00 22.95 C +ATOM 51 C LEU A 8 34.597 39.630 20.528 1.00 27.62 C +ATOM 52 O LEU A 8 34.751 38.425 20.251 1.00 28.20 O +ATOM 53 CB LEU A 8 32.429 40.260 21.200 1.00 18.37 C +ATOM 54 CG LEU A 8 31.203 41.139 21.155 1.00 24.40 C +ATOM 55 CD1 LEU A 8 30.365 40.763 19.946 1.00 31.40 C +ATOM 56 CD2 LEU A 8 30.395 40.861 22.425 1.00 15.54 C +ATOM 57 N ALA A 9 35.380 40.418 21.255 1.00 24.55 N +ATOM 58 CA ALA A 9 36.586 39.993 21.884 1.00 19.36 C +ATOM 59 C ALA A 9 36.308 39.883 23.362 1.00 29.70 C +ATOM 60 O ALA A 9 35.145 40.070 23.773 1.00 28.50 O +ATOM 61 CB ALA A 9 37.647 41.008 21.630 1.00 8.75 C +ATOM 62 N VAL A 10 37.367 39.583 24.136 1.00 33.40 N +ATOM 63 CA VAL A 10 37.255 39.462 25.590 1.00 35.56 C +ATOM 64 C VAL A 10 36.651 40.757 26.100 1.00 36.75 C +ATOM 65 O VAL A 10 37.068 41.871 25.742 1.00 39.90 O +ATOM 66 CB VAL A 10 38.566 39.187 26.357 1.00 30.42 C +ATOM 67 CG1 VAL A 10 38.242 39.045 27.838 1.00 28.48 C +ATOM 68 CG2 VAL A 10 39.242 37.899 25.916 1.00 30.33 C +ATOM 69 N ASP A 11 35.636 40.620 26.934 1.00 27.02 N +ATOM 70 CA ASP A 11 35.007 41.814 27.458 1.00 31.86 C +ATOM 71 C ASP A 11 34.155 42.678 26.575 1.00 26.72 C +ATOM 72 O ASP A 11 34.181 43.872 26.796 1.00 27.69 O +ATOM 73 CB ASP A 11 35.970 42.759 28.150 1.00 48.73 C +ATOM 74 CG ASP A 11 36.400 42.214 29.472 1.00 62.36 C +ATOM 75 OD1 ASP A 11 35.920 41.200 29.967 1.00 66.82 O +ATOM 76 OD2 ASP A 11 37.327 42.954 30.024 1.00 63.92 O +ATOM 77 N ARG A 12 33.398 42.134 25.629 1.00 21.84 N +ATOM 78 CA ARG A 12 32.555 42.976 24.804 1.00 15.95 C +ATOM 79 C ARG A 12 33.237 44.087 24.040 1.00 11.83 C +ATOM 80 O ARG A 12 32.605 45.059 23.681 1.00 23.12 O +ATOM 81 CB ARG A 12 31.461 43.544 25.664 1.00 18.39 C +ATOM 82 CG ARG A 12 30.540 42.463 26.174 1.00 31.01 C +ATOM 83 CD ARG A 12 29.228 43.013 26.724 1.00 37.02 C +ATOM 84 NE ARG A 12 29.424 43.695 28.000 1.00 41.28 N +ATOM 85 CZ ARG A 12 29.474 45.010 28.199 1.00 38.46 C +ATOM 86 NH1 ARG A 12 29.355 45.913 27.238 1.00 44.24 N +ATOM 87 NH2 ARG A 12 29.650 45.437 29.420 1.00 31.64 N +ATOM 88 N VAL A 13 34.518 43.980 23.787 1.00 14.89 N +ATOM 89 CA VAL A 13 35.239 45.024 23.025 1.00 15.90 C +ATOM 90 C VAL A 13 35.100 44.715 21.535 1.00 22.32 C +ATOM 91 O VAL A 13 35.295 43.595 21.049 1.00 13.89 O +ATOM 92 CB VAL A 13 36.728 44.954 23.289 1.00 18.38 C +ATOM 93 CG1 VAL A 13 37.490 45.847 22.328 1.00 14.04 C +ATOM 94 CG2 VAL A 13 37.039 45.291 24.744 1.00 21.97 C +ATOM 95 N ILE A 14 34.763 45.725 20.811 1.00 24.35 N +ATOM 96 CA ILE A 14 34.590 45.588 19.409 1.00 23.26 C +ATOM 97 C ILE A 14 35.420 46.681 18.729 1.00 35.96 C +ATOM 98 O ILE A 14 35.706 47.712 19.338 1.00 32.37 O +ATOM 99 CB ILE A 14 33.088 45.790 19.159 1.00 20.66 C +ATOM 100 CG1 ILE A 14 32.642 47.187 19.571 1.00 13.05 C +ATOM 101 CG2 ILE A 14 32.234 44.777 19.954 1.00 14.07 C +ATOM 102 CD1 ILE A 14 31.170 47.338 19.258 1.00 12.73 C +ATOM 103 N GLY A 15 35.828 46.508 17.466 1.00 47.50 N +ATOM 104 CA GLY A 15 36.615 47.571 16.829 1.00 48.84 C +ATOM 105 C GLY A 15 36.748 47.411 15.332 1.00 52.13 C +ATOM 106 O GLY A 15 36.289 46.431 14.731 1.00 60.72 O +ATOM 107 N MET A 16 37.387 48.368 14.701 1.00 48.51 N +ATOM 108 CA MET A 16 37.508 48.196 13.278 1.00 54.04 C +ATOM 109 C MET A 16 38.493 47.185 12.805 1.00 55.80 C +ATOM 110 O MET A 16 39.407 46.778 13.531 1.00 43.77 O +ATOM 111 CB MET A 16 37.543 49.466 12.455 1.00 59.86 C +ATOM 112 CG MET A 16 36.105 49.799 12.167 1.00 68.74 C +ATOM 113 SD MET A 16 35.190 48.258 11.891 1.00 75.88 S +ATOM 114 CE MET A 16 33.900 48.966 10.840 1.00 78.07 C +ATOM 115 N GLU A 17 38.247 46.824 11.555 1.00 65.99 N +ATOM 116 CA GLU A 17 39.032 45.863 10.806 1.00 72.87 C +ATOM 117 C GLU A 17 40.531 46.017 11.109 1.00 70.77 C +ATOM 118 O GLU A 17 41.179 45.065 11.599 1.00 70.19 O +ATOM 119 CB GLU A 17 38.766 46.096 9.295 1.00 75.44 C +ATOM 120 CG GLU A 17 38.747 44.804 8.439 1.00 81.82 C +ATOM 121 CD GLU A 17 37.445 44.015 8.517 1.00 87.44 C +ATOM 122 OE1 GLU A 17 36.923 43.673 9.578 1.00 84.76 O +ATOM 123 OE2 GLU A 17 36.941 43.729 7.322 1.00 92.81 O +ATOM 124 N ASN A 18 41.041 47.239 10.818 1.00 64.69 N +ATOM 125 CA ASN A 18 42.450 47.611 11.026 1.00 67.23 C +ATOM 126 C ASN A 18 42.800 47.764 12.500 1.00 67.42 C +ATOM 127 O ASN A 18 43.966 47.708 12.909 1.00 69.54 O +ATOM 128 CB ASN A 18 43.006 48.737 10.102 1.00 69.90 C +ATOM 129 CG ASN A 18 42.962 48.462 8.560 1.00 76.65 C +ATOM 130 OD1 ASN A 18 43.120 47.304 8.057 1.00 75.55 O +ATOM 131 ND2 ASN A 18 42.761 49.551 7.789 1.00 74.59 N +ATOM 132 N ALA A 19 41.747 47.945 13.290 1.00 65.29 N +ATOM 133 CA ALA A 19 41.887 48.076 14.717 1.00 62.52 C +ATOM 134 C ALA A 19 42.120 46.640 15.230 1.00 64.42 C +ATOM 135 O ALA A 19 42.854 46.340 16.193 1.00 68.33 O +ATOM 136 CB ALA A 19 40.573 48.668 15.234 1.00 59.48 C +ATOM 137 N MET A 20 41.474 45.721 14.516 1.00 57.51 N +ATOM 138 CA MET A 20 41.556 44.319 14.855 1.00 53.37 C +ATOM 139 C MET A 20 42.900 43.589 14.751 1.00 43.66 C +ATOM 140 O MET A 20 43.636 43.649 13.772 1.00 45.86 O +ATOM 141 CB MET A 20 40.249 43.570 14.558 1.00 60.56 C +ATOM 142 CG MET A 20 39.107 44.457 15.046 1.00 64.36 C +ATOM 143 SD MET A 20 39.530 45.336 16.602 1.00 72.71 S +ATOM 144 CE MET A 20 38.688 44.321 17.864 1.00 70.41 C +ATOM 145 N PRO A 21 43.208 42.892 15.813 1.00 36.73 N +ATOM 146 CA PRO A 21 44.431 42.147 15.907 1.00 35.52 C +ATOM 147 C PRO A 21 44.326 40.751 15.342 1.00 35.36 C +ATOM 148 O PRO A 21 45.346 40.065 15.161 1.00 26.95 O +ATOM 149 CB PRO A 21 44.729 42.006 17.389 1.00 35.43 C +ATOM 150 CG PRO A 21 43.427 42.333 18.114 1.00 42.69 C +ATOM 151 CD PRO A 21 42.536 43.067 17.130 1.00 41.15 C +ATOM 152 N TRP A 22 43.096 40.326 15.082 1.00 24.94 N +ATOM 153 CA TRP A 22 42.945 38.981 14.544 1.00 19.30 C +ATOM 154 C TRP A 22 42.740 39.063 13.031 1.00 26.57 C +ATOM 155 O TRP A 22 42.561 40.169 12.464 1.00 32.11 O +ATOM 156 CB TRP A 22 41.770 38.308 15.233 1.00 22.90 C +ATOM 157 CG TRP A 22 40.512 39.087 14.960 1.00 31.51 C +ATOM 158 CD1 TRP A 22 39.869 39.151 13.763 1.00 39.61 C +ATOM 159 CD2 TRP A 22 39.770 39.921 15.841 1.00 29.60 C +ATOM 160 NE1 TRP A 22 38.794 39.968 13.832 1.00 39.07 N +ATOM 161 CE2 TRP A 22 38.694 40.444 15.092 1.00 31.62 C +ATOM 162 CE3 TRP A 22 39.900 40.278 17.185 1.00 31.26 C +ATOM 163 CZ2 TRP A 22 37.739 41.275 15.640 1.00 33.66 C +ATOM 164 CZ3 TRP A 22 38.938 41.112 17.729 1.00 36.96 C +ATOM 165 CH2 TRP A 22 37.871 41.594 16.962 1.00 36.85 C +ATOM 166 N ASN A 23 42.730 37.899 12.422 1.00 26.83 N +ATOM 167 CA ASN A 23 42.572 37.648 11.026 1.00 27.03 C +ATOM 168 C ASN A 23 41.704 36.420 10.928 1.00 18.56 C +ATOM 169 O ASN A 23 42.181 35.339 11.114 1.00 9.56 O +ATOM 170 CB ASN A 23 43.986 37.275 10.588 1.00 35.62 C +ATOM 171 CG ASN A 23 44.217 37.307 9.109 1.00 44.49 C +ATOM 172 OD1 ASN A 23 43.491 37.984 8.374 1.00 47.25 O +ATOM 173 ND2 ASN A 23 45.263 36.593 8.685 1.00 47.24 N +ATOM 174 N LEU A 24 40.436 36.619 10.620 1.00 11.19 N +ATOM 175 CA LEU A 24 39.489 35.541 10.536 1.00 1.39 C +ATOM 176 C LEU A 24 38.624 35.587 9.334 1.00 11.23 C +ATOM 177 O LEU A 24 37.526 36.116 9.369 1.00 12.83 O +ATOM 178 CB LEU A 24 38.540 35.681 11.749 1.00 10.10 C +ATOM 179 CG LEU A 24 39.281 35.671 13.057 1.00 12.66 C +ATOM 180 CD1 LEU A 24 38.296 36.014 14.149 1.00 10.61 C +ATOM 181 CD2 LEU A 24 39.802 34.267 13.340 1.00 5.22 C +ATOM 182 N PRO A 25 39.145 35.031 8.275 1.00 27.89 N +ATOM 183 CA PRO A 25 38.439 34.966 7.010 1.00 23.49 C +ATOM 184 C PRO A 25 37.102 34.173 7.182 1.00 21.13 C +ATOM 185 O PRO A 25 36.070 34.465 6.551 1.00 21.39 O +ATOM 186 CB PRO A 25 39.441 34.237 6.076 1.00 23.24 C +ATOM 187 CG PRO A 25 40.724 33.954 6.878 1.00 21.32 C +ATOM 188 CD PRO A 25 40.621 34.800 8.127 1.00 24.53 C +ATOM 189 N ALA A 26 37.110 33.153 8.062 1.00 9.89 N +ATOM 190 CA ALA A 26 35.903 32.419 8.258 1.00 11.77 C +ATOM 191 C ALA A 26 34.867 33.387 8.860 1.00 11.53 C +ATOM 192 O ALA A 26 33.688 33.341 8.509 1.00 25.83 O +ATOM 193 CB ALA A 26 36.162 31.232 9.131 1.00 11.54 C +ATOM 194 N ASP A 27 35.326 34.296 9.762 1.00 13.16 N +ATOM 195 CA ASP A 27 34.408 35.268 10.354 1.00 11.71 C +ATOM 196 C ASP A 27 33.811 36.159 9.233 1.00 18.43 C +ATOM 197 O ASP A 27 32.668 36.633 9.269 1.00 13.87 O +ATOM 198 CB ASP A 27 35.033 36.163 11.447 1.00 10.77 C +ATOM 199 CG ASP A 27 34.027 37.207 11.953 1.00 18.20 C +ATOM 200 OD1 ASP A 27 32.840 36.968 12.249 1.00 10.51 O +ATOM 201 OD2 ASP A 27 34.525 38.417 11.994 1.00 24.06 O +ATOM 202 N LEU A 28 34.619 36.378 8.200 1.00 20.78 N +ATOM 203 CA LEU A 28 34.198 37.191 7.094 1.00 18.70 C +ATOM 204 C LEU A 28 33.121 36.596 6.223 1.00 23.09 C +ATOM 205 O LEU A 28 32.173 37.298 5.835 1.00 28.27 O +ATOM 206 CB LEU A 28 35.398 37.710 6.353 1.00 16.38 C +ATOM 207 CG LEU A 28 35.909 38.862 7.182 1.00 23.45 C +ATOM 208 CD1 LEU A 28 37.180 39.396 6.549 1.00 24.92 C +ATOM 209 CD2 LEU A 28 34.813 39.955 7.284 1.00 21.69 C +ATOM 210 N ALA A 29 33.307 35.299 5.959 1.00 17.49 N +ATOM 211 CA ALA A 29 32.425 34.484 5.164 1.00 13.80 C +ATOM 212 C ALA A 29 31.074 34.493 5.887 1.00 15.03 C +ATOM 213 O ALA A 29 30.016 34.757 5.299 1.00 17.73 O +ATOM 214 CB ALA A 29 33.005 33.056 5.169 1.00 9.42 C +ATOM 215 N TRP A 30 31.147 34.212 7.200 1.00 9.60 N +ATOM 216 CA TRP A 30 29.968 34.193 8.049 1.00 15.00 C +ATOM 217 C TRP A 30 29.254 35.551 7.956 1.00 20.30 C +ATOM 218 O TRP A 30 28.040 35.620 7.774 1.00 20.32 O +ATOM 219 CB TRP A 30 30.486 34.031 9.462 1.00 9.10 C +ATOM 220 CG TRP A 30 29.500 34.234 10.572 1.00 12.46 C +ATOM 221 CD1 TRP A 30 29.423 35.299 11.431 1.00 13.94 C +ATOM 222 CD2 TRP A 30 28.477 33.300 10.986 1.00 13.91 C +ATOM 223 NE1 TRP A 30 28.383 35.104 12.347 1.00 13.25 N +ATOM 224 CE2 TRP A 30 27.798 33.876 12.096 1.00 14.92 C +ATOM 225 CE3 TRP A 30 28.069 32.056 10.490 1.00 1.49 C +ATOM 226 CZ2 TRP A 30 26.760 33.202 12.746 1.00 12.83 C +ATOM 227 CZ3 TRP A 30 27.032 31.424 11.125 1.00 13.39 C +ATOM 228 CH2 TRP A 30 26.393 31.962 12.252 1.00 11.36 C +ATOM 229 N PHE A 31 30.022 36.668 8.088 1.00 14.54 N +ATOM 230 CA PHE A 31 29.347 37.995 7.986 1.00 6.94 C +ATOM 231 C PHE A 31 28.681 38.199 6.576 1.00 11.13 C +ATOM 232 O PHE A 31 27.524 38.743 6.368 1.00 10.14 O +ATOM 233 CB PHE A 31 30.404 39.092 8.190 1.00 3.59 C +ATOM 234 CG PHE A 31 29.919 40.514 7.862 1.00 11.34 C +ATOM 235 CD1 PHE A 31 29.972 41.002 6.554 1.00 16.20 C +ATOM 236 CD2 PHE A 31 29.406 41.345 8.869 1.00 1.00 C +ATOM 237 CE1 PHE A 31 29.552 42.303 6.247 1.00 14.34 C +ATOM 238 CE2 PHE A 31 28.972 42.633 8.579 1.00 10.10 C +ATOM 239 CZ PHE A 31 29.050 43.112 7.266 1.00 10.76 C +ATOM 240 N LYS A 32 29.443 37.746 5.559 1.00 5.45 N +ATOM 241 CA LYS A 32 28.948 37.890 4.243 1.00 14.30 C +ATOM 242 C LYS A 32 27.653 37.145 4.108 1.00 17.41 C +ATOM 243 O LYS A 32 26.605 37.705 3.829 1.00 29.61 O +ATOM 244 CB LYS A 32 29.986 37.523 3.235 1.00 6.38 C +ATOM 245 CG LYS A 32 29.500 37.711 1.808 1.00 16.87 C +ATOM 246 CD LYS A 32 30.462 37.069 0.786 1.00 26.26 C +ATOM 247 CE LYS A 32 30.488 37.730 -0.578 1.00 28.89 C +ATOM 248 NZ LYS A 32 30.426 39.214 -0.489 1.00 32.71 N +ATOM 249 N ARG A 33 27.748 35.880 4.372 1.00 11.82 N +ATOM 250 CA ARG A 33 26.637 35.008 4.295 1.00 19.62 C +ATOM 251 C ARG A 33 25.402 35.479 5.017 1.00 15.90 C +ATOM 252 O ARG A 33 24.270 35.302 4.562 1.00 16.21 O +ATOM 253 CB ARG A 33 27.101 33.678 4.906 1.00 29.96 C +ATOM 254 CG ARG A 33 26.109 32.522 4.778 1.00 43.70 C +ATOM 255 CD ARG A 33 26.790 31.142 4.856 1.00 59.49 C +ATOM 256 NE ARG A 33 27.511 30.846 6.106 1.00 74.41 N +ATOM 257 CZ ARG A 33 28.849 30.807 6.240 1.00 82.72 C +ATOM 258 NH1 ARG A 33 29.664 31.041 5.218 1.00 86.49 N +ATOM 259 NH2 ARG A 33 29.391 30.528 7.430 1.00 82.45 N +ATOM 260 N ASN A 34 25.601 36.061 6.174 1.00 14.50 N +ATOM 261 CA ASN A 34 24.415 36.480 6.918 1.00 12.80 C +ATOM 262 C ASN A 34 23.909 37.866 6.633 1.00 16.35 C +ATOM 263 O ASN A 34 22.812 38.206 7.140 1.00 8.49 O +ATOM 264 CB ASN A 34 24.582 36.287 8.442 1.00 15.97 C +ATOM 265 CG ASN A 34 24.829 34.830 8.855 1.00 15.16 C +ATOM 266 OD1 ASN A 34 24.087 33.924 8.488 1.00 14.59 O +ATOM 267 ND2 ASN A 34 25.898 34.604 9.570 1.00 16.02 N +ATOM 268 N THR A 35 24.722 38.668 5.868 1.00 11.95 N +ATOM 269 CA THR A 35 24.244 40.001 5.582 1.00 7.17 C +ATOM 270 C THR A 35 23.917 40.238 4.076 1.00 14.13 C +ATOM 271 O THR A 35 23.376 41.253 3.682 1.00 17.48 O +ATOM 272 CB THR A 35 25.250 41.010 6.038 1.00 7.45 C +ATOM 273 OG1 THR A 35 26.385 40.873 5.230 1.00 12.39 O +ATOM 274 CG2 THR A 35 25.555 40.880 7.527 1.00 1.00 C +ATOM 275 N LEU A 36 24.264 39.317 3.199 1.00 12.00 N +ATOM 276 CA LEU A 36 24.007 39.491 1.746 1.00 20.44 C +ATOM 277 C LEU A 36 22.560 39.605 1.313 1.00 18.67 C +ATOM 278 O LEU A 36 21.702 38.868 1.784 1.00 25.53 O +ATOM 279 CB LEU A 36 24.563 38.281 1.007 1.00 24.79 C +ATOM 280 CG LEU A 36 24.787 38.547 -0.449 1.00 27.61 C +ATOM 281 CD1 LEU A 36 25.735 39.766 -0.580 1.00 24.77 C +ATOM 282 CD2 LEU A 36 25.409 37.291 -1.060 1.00 24.84 C +ATOM 283 N ASP A 37 22.263 40.497 0.396 1.00 17.83 N +ATOM 284 CA ASP A 37 20.879 40.656 -0.070 1.00 13.31 C +ATOM 285 C ASP A 37 19.978 41.253 0.985 1.00 13.80 C +ATOM 286 O ASP A 37 18.766 41.156 0.869 1.00 26.88 O +ATOM 287 CB ASP A 37 20.260 39.412 -0.736 1.00 16.78 C +ATOM 288 CG ASP A 37 21.082 39.011 -1.966 1.00 31.85 C +ATOM 289 OD1 ASP A 37 21.530 39.840 -2.738 1.00 38.77 O +ATOM 290 OD2 ASP A 37 21.461 37.748 -2.009 1.00 31.40 O +ATOM 291 N LYS A 38 20.565 41.887 2.024 1.00 13.20 N +ATOM 292 CA LYS A 38 19.746 42.513 3.112 1.00 12.95 C +ATOM 293 C LYS A 38 20.202 43.932 3.323 1.00 8.88 C +ATOM 294 O LYS A 38 21.330 44.302 2.979 1.00 15.98 O +ATOM 295 CB LYS A 38 19.859 41.817 4.485 1.00 11.97 C +ATOM 296 CG LYS A 38 19.912 40.315 4.428 1.00 11.57 C +ATOM 297 CD LYS A 38 19.756 39.570 5.764 1.00 19.18 C +ATOM 298 CE LYS A 38 20.312 38.148 5.680 1.00 22.93 C +ATOM 299 NZ LYS A 38 20.194 37.368 6.928 1.00 22.02 N +ATOM 300 N PRO A 39 19.351 44.752 3.887 1.00 9.25 N +ATOM 301 CA PRO A 39 19.831 46.095 4.072 1.00 5.18 C +ATOM 302 C PRO A 39 20.668 46.108 5.261 1.00 9.16 C +ATOM 303 O PRO A 39 20.382 45.387 6.199 1.00 7.43 O +ATOM 304 CB PRO A 39 18.628 46.994 4.348 1.00 6.79 C +ATOM 305 CG PRO A 39 17.458 46.086 4.553 1.00 10.38 C +ATOM 306 CD PRO A 39 17.855 44.748 3.946 1.00 14.16 C +ATOM 307 N VAL A 40 21.668 46.945 5.249 1.00 12.98 N +ATOM 308 CA VAL A 40 22.505 47.012 6.393 1.00 1.00 C +ATOM 309 C VAL A 40 22.642 48.433 6.868 1.00 14.15 C +ATOM 310 O VAL A 40 22.968 49.306 6.078 1.00 13.77 O +ATOM 311 CB VAL A 40 23.926 46.533 6.122 1.00 1.01 C +ATOM 312 CG1 VAL A 40 23.931 45.055 5.693 1.00 13.44 C +ATOM 313 CG2 VAL A 40 24.543 47.295 4.966 1.00 7.26 C +ATOM 314 N ILE A 41 22.442 48.650 8.178 1.00 13.67 N +ATOM 315 CA ILE A 41 22.575 49.956 8.755 1.00 6.55 C +ATOM 316 C ILE A 41 23.882 50.088 9.538 1.00 10.69 C +ATOM 317 O ILE A 41 24.340 49.182 10.262 1.00 10.28 O +ATOM 318 CB ILE A 41 21.371 50.288 9.639 1.00 8.53 C +ATOM 319 CG1 ILE A 41 20.112 50.110 8.817 1.00 13.65 C +ATOM 320 CG2 ILE A 41 21.473 51.752 10.057 1.00 13.32 C +ATOM 321 CD1 ILE A 41 18.855 50.086 9.710 1.00 9.62 C +ATOM 322 N MET A 42 24.503 51.225 9.424 1.00 7.72 N +ATOM 323 CA MET A 42 25.728 51.433 10.117 1.00 2.98 C +ATOM 324 C MET A 42 25.877 52.878 10.477 1.00 9.00 C +ATOM 325 O MET A 42 25.213 53.747 9.893 1.00 11.96 O +ATOM 326 CB MET A 42 26.915 51.051 9.212 1.00 5.45 C +ATOM 327 CG MET A 42 27.204 51.968 8.002 1.00 1.27 C +ATOM 328 SD MET A 42 28.253 51.105 6.781 1.00 17.04 S +ATOM 329 CE MET A 42 27.012 50.175 5.854 1.00 7.73 C +ATOM 330 N GLY A 43 26.768 53.134 11.451 1.00 6.28 N +ATOM 331 CA GLY A 43 26.979 54.489 11.838 1.00 8.53 C +ATOM 332 C GLY A 43 28.021 55.096 10.940 1.00 12.11 C +ATOM 333 O GLY A 43 28.768 54.341 10.254 1.00 12.70 O +ATOM 334 N ARG A 44 28.099 56.454 10.975 1.00 12.21 N +ATOM 335 CA ARG A 44 29.074 57.195 10.116 1.00 17.44 C +ATOM 336 C ARG A 44 30.459 56.674 10.263 1.00 21.96 C +ATOM 337 O ARG A 44 31.162 56.507 9.261 1.00 27.91 O +ATOM 338 CB ARG A 44 28.986 58.742 10.089 1.00 14.12 C +ATOM 339 CG ARG A 44 30.177 59.475 9.400 1.00 31.82 C +ATOM 340 CD ARG A 44 30.166 61.037 9.306 1.00 36.20 C +ATOM 341 NE ARG A 44 28.947 61.792 8.813 1.00 56.03 N +ATOM 342 CZ ARG A 44 28.624 62.439 7.605 1.00 59.36 C +ATOM 343 NH1 ARG A 44 29.433 62.491 6.527 1.00 58.77 N +ATOM 344 NH2 ARG A 44 27.417 63.072 7.468 1.00 49.28 N +ATOM 345 N HIS A 45 30.805 56.404 11.537 1.00 20.08 N +ATOM 346 CA HIS A 45 32.114 55.896 11.857 1.00 19.52 C +ATOM 347 C HIS A 45 32.407 54.635 11.154 1.00 13.94 C +ATOM 348 O HIS A 45 33.472 54.528 10.550 1.00 8.34 O +ATOM 349 CB HIS A 45 32.512 55.841 13.355 1.00 25.22 C +ATOM 350 CG HIS A 45 32.447 57.205 13.940 1.00 41.86 C +ATOM 351 ND1 HIS A 45 33.500 58.089 13.854 1.00 48.41 N +ATOM 352 CD2 HIS A 45 31.424 57.820 14.589 1.00 44.76 C +ATOM 353 CE1 HIS A 45 33.099 59.202 14.455 1.00 50.72 C +ATOM 354 NE2 HIS A 45 31.860 59.070 14.903 1.00 44.15 N +ATOM 355 N THR A 46 31.503 53.678 11.224 1.00 17.86 N +ATOM 356 CA THR A 46 31.802 52.415 10.542 1.00 12.96 C +ATOM 357 C THR A 46 31.986 52.600 9.024 1.00 17.36 C +ATOM 358 O THR A 46 32.961 52.121 8.377 1.00 14.76 O +ATOM 359 CB THR A 46 30.867 51.345 11.058 1.00 8.03 C +ATOM 360 OG1 THR A 46 31.117 51.274 12.457 1.00 16.99 O +ATOM 361 CG2 THR A 46 31.125 49.973 10.437 1.00 5.30 C +ATOM 362 N TRP A 47 31.064 53.377 8.469 1.00 12.40 N +ATOM 363 CA TRP A 47 31.089 53.690 7.032 1.00 14.97 C +ATOM 364 C TRP A 47 32.444 54.183 6.543 1.00 9.04 C +ATOM 365 O TRP A 47 32.968 53.677 5.576 1.00 18.59 O +ATOM 366 CB TRP A 47 30.099 54.856 6.793 1.00 12.81 C +ATOM 367 CG TRP A 47 30.308 55.517 5.488 1.00 11.44 C +ATOM 368 CD1 TRP A 47 30.544 56.839 5.317 1.00 12.54 C +ATOM 369 CD2 TRP A 47 30.286 54.931 4.176 1.00 13.66 C +ATOM 370 NE1 TRP A 47 30.669 57.128 3.985 1.00 16.33 N +ATOM 371 CE2 TRP A 47 30.509 55.980 3.256 1.00 21.78 C +ATOM 372 CE3 TRP A 47 30.127 53.641 3.675 1.00 16.31 C +ATOM 373 CZ2 TRP A 47 30.579 55.757 1.882 1.00 10.98 C +ATOM 374 CZ3 TRP A 47 30.180 53.420 2.316 1.00 7.19 C +ATOM 375 CH2 TRP A 47 30.410 54.473 1.456 1.00 10.43 C +ATOM 376 N GLU A 48 32.983 55.210 7.217 1.00 7.50 N +ATOM 377 CA GLU A 48 34.263 55.729 6.802 1.00 18.03 C +ATOM 378 C GLU A 48 35.305 54.668 6.984 1.00 20.99 C +ATOM 379 O GLU A 48 36.302 54.615 6.274 1.00 28.58 O +ATOM 380 CB GLU A 48 34.684 56.942 7.642 1.00 14.38 C +ATOM 381 CG GLU A 48 33.491 57.831 7.893 1.00 23.99 C +ATOM 382 CD GLU A 48 33.896 59.212 8.282 1.00 30.27 C +ATOM 383 OE1 GLU A 48 34.923 59.462 8.842 1.00 39.10 O +ATOM 384 OE2 GLU A 48 33.059 60.109 7.879 1.00 38.51 O +ATOM 385 N SER A 49 35.042 53.824 7.960 1.00 19.07 N +ATOM 386 CA SER A 49 35.977 52.780 8.230 1.00 23.29 C +ATOM 387 C SER A 49 36.130 51.866 7.048 1.00 26.19 C +ATOM 388 O SER A 49 37.256 51.530 6.629 1.00 29.12 O +ATOM 389 CB SER A 49 35.565 51.961 9.433 1.00 28.55 C +ATOM 390 OG SER A 49 36.723 51.273 9.849 1.00 35.37 O +ATOM 391 N ILE A 50 34.969 51.471 6.535 1.00 28.50 N +ATOM 392 CA ILE A 50 34.874 50.590 5.390 1.00 29.66 C +ATOM 393 C ILE A 50 35.200 51.259 4.040 1.00 29.15 C +ATOM 394 O ILE A 50 35.677 50.616 3.120 1.00 27.42 O +ATOM 395 CB ILE A 50 33.519 49.966 5.345 1.00 26.77 C +ATOM 396 CG1 ILE A 50 33.224 49.413 6.689 1.00 18.93 C +ATOM 397 CG2 ILE A 50 33.568 48.797 4.389 1.00 35.55 C +ATOM 398 CD1 ILE A 50 31.843 48.777 6.615 1.00 22.31 C +ATOM 399 N GLY A 51 34.913 52.538 3.904 1.00 30.74 N +ATOM 400 CA GLY A 51 35.208 53.272 2.679 1.00 36.93 C +ATOM 401 C GLY A 51 34.622 52.915 1.294 1.00 37.00 C +ATOM 402 O GLY A 51 35.030 53.529 0.308 1.00 34.66 O +ATOM 403 N ARG A 52 33.709 51.961 1.178 1.00 23.64 N +ATOM 404 CA ARG A 52 33.074 51.565 -0.083 1.00 16.17 C +ATOM 405 C ARG A 52 31.832 50.867 0.384 1.00 23.51 C +ATOM 406 O ARG A 52 31.844 50.261 1.465 1.00 21.45 O +ATOM 407 CB ARG A 52 33.860 50.651 -0.998 1.00 25.90 C +ATOM 408 CG ARG A 52 34.278 49.367 -0.261 1.00 49.71 C +ATOM 409 CD ARG A 52 33.193 48.303 -0.299 1.00 62.42 C +ATOM 410 NE ARG A 52 33.277 47.020 0.431 1.00 72.32 N +ATOM 411 CZ ARG A 52 33.624 45.848 -0.147 1.00 81.64 C +ATOM 412 NH1 ARG A 52 33.944 45.766 -1.453 1.00 83.85 N +ATOM 413 NH2 ARG A 52 33.663 44.729 0.596 1.00 84.19 N +ATOM 414 N PRO A 53 30.803 50.950 -0.392 1.00 15.90 N +ATOM 415 CA PRO A 53 29.546 50.335 -0.025 1.00 17.85 C +ATOM 416 C PRO A 53 29.696 48.863 -0.074 1.00 17.12 C +ATOM 417 O PRO A 53 30.508 48.343 -0.784 1.00 14.05 O +ATOM 418 CB PRO A 53 28.519 50.787 -1.048 1.00 17.31 C +ATOM 419 CG PRO A 53 29.223 51.817 -1.944 1.00 21.64 C +ATOM 420 CD PRO A 53 30.722 51.793 -1.598 1.00 20.59 C +ATOM 421 N LEU A 54 28.945 48.179 0.682 1.00 9.16 N +ATOM 422 CA LEU A 54 29.090 46.746 0.645 1.00 10.04 C +ATOM 423 C LEU A 54 28.232 46.284 -0.482 1.00 5.22 C +ATOM 424 O LEU A 54 27.085 46.652 -0.553 1.00 12.45 O +ATOM 425 CB LEU A 54 28.540 46.138 1.915 1.00 17.79 C +ATOM 426 CG LEU A 54 29.392 46.375 3.130 1.00 26.59 C +ATOM 427 CD1 LEU A 54 28.598 45.787 4.304 1.00 28.11 C +ATOM 428 CD2 LEU A 54 30.741 45.637 3.001 1.00 25.82 C +ATOM 429 N PRO A 55 28.792 45.475 -1.367 1.00 17.10 N +ATOM 430 CA PRO A 55 28.064 44.986 -2.538 1.00 18.45 C +ATOM 431 C PRO A 55 26.953 44.056 -2.229 1.00 12.65 C +ATOM 432 O PRO A 55 27.063 43.290 -1.313 1.00 19.00 O +ATOM 433 CB PRO A 55 29.101 44.166 -3.304 1.00 27.59 C +ATOM 434 CG PRO A 55 30.121 43.729 -2.241 1.00 27.30 C +ATOM 435 CD PRO A 55 30.132 44.832 -1.213 1.00 19.34 C +ATOM 436 N GLY A 56 25.899 44.131 -3.021 1.00 16.82 N +ATOM 437 CA GLY A 56 24.728 43.258 -2.896 1.00 10.31 C +ATOM 438 C GLY A 56 23.891 43.432 -1.666 1.00 19.27 C +ATOM 439 O GLY A 56 23.219 42.478 -1.238 1.00 16.81 O +ATOM 440 N ARG A 57 23.957 44.664 -1.103 1.00 15.50 N +ATOM 441 CA ARG A 57 23.213 45.003 0.096 1.00 7.33 C +ATOM 442 C ARG A 57 22.873 46.484 0.001 1.00 14.71 C +ATOM 443 O ARG A 57 23.684 47.272 -0.505 1.00 12.00 O +ATOM 444 CB ARG A 57 24.102 44.755 1.354 1.00 5.48 C +ATOM 445 CG ARG A 57 24.286 43.304 1.694 1.00 11.01 C +ATOM 446 CD ARG A 57 25.609 43.021 2.390 1.00 18.39 C +ATOM 447 NE ARG A 57 26.709 42.832 1.458 1.00 12.03 N +ATOM 448 CZ ARG A 57 27.864 42.229 1.713 1.00 22.01 C +ATOM 449 NH1 ARG A 57 28.125 41.717 2.895 1.00 29.32 N +ATOM 450 NH2 ARG A 57 28.798 42.106 0.737 1.00 17.82 N +ATOM 451 N LYS A 58 21.690 46.895 0.480 1.00 8.20 N +ATOM 452 CA LYS A 58 21.444 48.306 0.391 1.00 1.00 C +ATOM 453 C LYS A 58 22.141 48.968 1.581 1.00 11.26 C +ATOM 454 O LYS A 58 21.745 48.703 2.718 1.00 14.21 O +ATOM 455 CB LYS A 58 19.974 48.551 0.595 1.00 7.79 C +ATOM 456 CG LYS A 58 19.615 50.027 0.586 1.00 12.79 C +ATOM 457 CD LYS A 58 18.115 50.159 0.714 1.00 21.82 C +ATOM 458 CE LYS A 58 17.533 51.468 0.229 1.00 21.40 C +ATOM 459 NZ LYS A 58 16.058 51.356 0.273 1.00 24.01 N +ATOM 460 N ASN A 59 23.148 49.829 1.368 1.00 9.89 N +ATOM 461 CA ASN A 59 23.804 50.459 2.525 1.00 16.01 C +ATOM 462 C ASN A 59 23.139 51.755 2.946 1.00 8.89 C +ATOM 463 O ASN A 59 22.999 52.680 2.139 1.00 12.62 O +ATOM 464 CB ASN A 59 25.300 50.672 2.356 1.00 14.20 C +ATOM 465 CG ASN A 59 26.120 49.550 1.720 1.00 13.86 C +ATOM 466 OD1 ASN A 59 27.313 49.610 1.953 1.00 18.34 O +ATOM 467 ND2 ASN A 59 25.544 48.540 0.969 1.00 4.03 N +ATOM 468 N ILE A 60 22.700 51.786 4.205 1.00 9.30 N +ATOM 469 CA ILE A 60 22.012 52.963 4.826 1.00 13.62 C +ATOM 470 C ILE A 60 22.906 53.484 5.927 1.00 14.01 C +ATOM 471 O ILE A 60 23.253 52.721 6.833 1.00 12.72 O +ATOM 472 CB ILE A 60 20.716 52.469 5.450 1.00 15.43 C +ATOM 473 CG1 ILE A 60 19.750 52.007 4.379 1.00 10.68 C +ATOM 474 CG2 ILE A 60 20.069 53.547 6.321 1.00 12.61 C +ATOM 475 CD1 ILE A 60 19.049 50.740 4.727 1.00 16.23 C +ATOM 476 N ILE A 61 23.286 54.737 5.833 1.00 11.59 N +ATOM 477 CA ILE A 61 24.173 55.358 6.806 1.00 3.36 C +ATOM 478 C ILE A 61 23.422 56.275 7.740 1.00 6.66 C +ATOM 479 O ILE A 61 22.608 57.159 7.350 1.00 9.47 O +ATOM 480 CB ILE A 61 25.288 56.200 6.131 1.00 5.45 C +ATOM 481 CG1 ILE A 61 25.894 55.539 4.883 1.00 11.24 C +ATOM 482 CG2 ILE A 61 26.413 56.588 7.078 1.00 10.13 C +ATOM 483 CD1 ILE A 61 26.316 54.089 5.031 1.00 12.00 C +ATOM 484 N LEU A 62 23.716 56.063 9.004 1.00 13.67 N +ATOM 485 CA LEU A 62 23.084 56.879 9.964 1.00 20.98 C +ATOM 486 C LEU A 62 24.090 57.974 10.351 1.00 21.33 C +ATOM 487 O LEU A 62 25.242 57.723 10.642 1.00 22.55 O +ATOM 488 CB LEU A 62 22.401 55.908 10.933 1.00 23.50 C +ATOM 489 CG LEU A 62 21.952 56.288 12.323 1.00 30.65 C +ATOM 490 CD1 LEU A 62 20.667 57.097 12.323 1.00 19.75 C +ATOM 491 CD2 LEU A 62 21.679 54.951 12.994 1.00 33.12 C +ATOM 492 N SER A 63 23.665 59.210 10.283 1.00 14.92 N +ATOM 493 CA SER A 63 24.501 60.318 10.611 1.00 22.63 C +ATOM 494 C SER A 63 23.643 61.510 10.688 1.00 28.29 C +ATOM 495 O SER A 63 22.613 61.653 10.031 1.00 31.83 O +ATOM 496 CB SER A 63 25.633 60.673 9.690 1.00 19.90 C +ATOM 497 OG SER A 63 25.580 62.084 9.538 1.00 10.16 O +ATOM 498 N SER A 64 24.099 62.387 11.522 1.00 22.06 N +ATOM 499 CA SER A 64 23.350 63.574 11.699 1.00 19.70 C +ATOM 500 C SER A 64 23.652 64.644 10.683 1.00 25.17 C +ATOM 501 O SER A 64 22.808 65.493 10.458 1.00 14.45 O +ATOM 502 CB SER A 64 23.671 64.170 13.014 1.00 21.89 C +ATOM 503 OG SER A 64 22.968 65.337 12.928 1.00 36.80 O +ATOM 504 N GLN A 65 24.865 64.628 10.101 1.00 29.06 N +ATOM 505 CA GLN A 65 25.239 65.623 9.104 1.00 34.50 C +ATOM 506 C GLN A 65 24.752 65.111 7.752 1.00 34.50 C +ATOM 507 O GLN A 65 24.562 63.926 7.542 1.00 23.32 O +ATOM 508 CB GLN A 65 26.763 65.873 8.970 1.00 49.94 C +ATOM 509 CG GLN A 65 27.529 66.377 10.212 1.00 65.01 C +ATOM 510 CD GLN A 65 28.103 65.193 10.965 1.00 74.99 C +ATOM 511 OE1 GLN A 65 28.079 64.110 10.400 1.00 79.06 O +ATOM 512 NE2 GLN A 65 28.517 65.353 12.235 1.00 78.94 N +ATOM 513 N PRO A 66 24.555 66.008 6.826 1.00 36.87 N +ATOM 514 CA PRO A 66 24.106 65.617 5.515 1.00 30.55 C +ATOM 515 C PRO A 66 25.204 64.714 4.949 1.00 25.46 C +ATOM 516 O PRO A 66 26.348 64.877 5.318 1.00 15.83 O +ATOM 517 CB PRO A 66 23.919 66.924 4.732 1.00 29.47 C +ATOM 518 CG PRO A 66 24.261 68.074 5.679 1.00 35.18 C +ATOM 519 CD PRO A 66 24.843 67.456 6.936 1.00 39.18 C +ATOM 520 N GLY A 67 24.856 63.741 4.097 1.00 24.20 N +ATOM 521 CA GLY A 67 25.832 62.813 3.520 1.00 30.29 C +ATOM 522 C GLY A 67 26.711 63.370 2.412 1.00 29.18 C +ATOM 523 O GLY A 67 26.390 64.319 1.736 1.00 34.53 O +ATOM 524 N THR A 68 27.835 62.752 2.206 1.00 29.66 N +ATOM 525 CA THR A 68 28.755 63.199 1.200 1.00 21.01 C +ATOM 526 C THR A 68 29.204 62.055 0.279 1.00 20.49 C +ATOM 527 O THR A 68 30.389 61.845 -0.014 1.00 15.33 O +ATOM 528 CB THR A 68 29.898 63.618 2.079 1.00 36.99 C +ATOM 529 OG1 THR A 68 30.276 62.441 2.742 1.00 43.26 O +ATOM 530 CG2 THR A 68 29.361 64.571 3.143 1.00 39.59 C +ATOM 531 N ASP A 69 28.245 61.284 -0.218 1.00 19.33 N +ATOM 532 CA ASP A 69 28.612 60.180 -1.085 1.00 16.71 C +ATOM 533 C ASP A 69 27.315 59.593 -1.610 1.00 13.40 C +ATOM 534 O ASP A 69 26.554 59.100 -0.839 1.00 27.07 O +ATOM 535 CB ASP A 69 29.469 59.170 -0.308 1.00 9.13 C +ATOM 536 CG ASP A 69 29.941 58.076 -1.230 1.00 15.61 C +ATOM 537 OD1 ASP A 69 29.260 57.564 -2.113 1.00 11.39 O +ATOM 538 OD2 ASP A 69 31.185 57.809 -1.066 1.00 17.43 O +ATOM 539 N ASP A 70 27.032 59.700 -2.904 1.00 8.42 N +ATOM 540 CA ASP A 70 25.802 59.207 -3.448 1.00 8.47 C +ATOM 541 C ASP A 70 25.749 57.761 -3.615 1.00 18.77 C +ATOM 542 O ASP A 70 24.737 57.293 -4.126 1.00 25.82 O +ATOM 543 CB ASP A 70 25.530 59.650 -4.885 1.00 29.22 C +ATOM 544 CG ASP A 70 25.508 61.138 -5.084 1.00 48.50 C +ATOM 545 OD1 ASP A 70 25.056 61.913 -4.229 1.00 46.51 O +ATOM 546 OD2 ASP A 70 26.006 61.490 -6.288 1.00 52.78 O +ATOM 547 N ARG A 71 26.802 57.041 -3.271 1.00 19.29 N +ATOM 548 CA ARG A 71 26.640 55.627 -3.498 1.00 13.01 C +ATOM 549 C ARG A 71 25.807 54.992 -2.358 1.00 14.21 C +ATOM 550 O ARG A 71 25.432 53.849 -2.432 1.00 22.54 O +ATOM 551 CB ARG A 71 27.937 54.827 -3.765 1.00 9.79 C +ATOM 552 CG ARG A 71 29.004 55.280 -4.834 1.00 3.59 C +ATOM 553 CD ARG A 71 30.215 55.890 -4.196 1.00 12.70 C +ATOM 554 NE ARG A 71 31.297 54.920 -4.081 1.00 29.73 N +ATOM 555 CZ ARG A 71 32.266 54.782 -3.160 1.00 18.67 C +ATOM 556 NH1 ARG A 71 32.450 55.517 -2.074 1.00 19.48 N +ATOM 557 NH2 ARG A 71 33.090 53.798 -3.374 1.00 24.66 N +ATOM 558 N VAL A 72 25.488 55.693 -1.296 1.00 12.97 N +ATOM 559 CA VAL A 72 24.713 55.074 -0.199 1.00 9.52 C +ATOM 560 C VAL A 72 23.559 55.920 0.237 1.00 13.51 C +ATOM 561 O VAL A 72 23.512 57.047 -0.227 1.00 12.98 O +ATOM 562 CB VAL A 72 25.615 54.778 0.967 1.00 5.11 C +ATOM 563 CG1 VAL A 72 26.747 53.874 0.440 1.00 3.83 C +ATOM 564 CG2 VAL A 72 26.225 56.079 1.448 1.00 3.92 C +ATOM 565 N THR A 73 22.647 55.380 1.090 1.00 10.94 N +ATOM 566 CA THR A 73 21.461 56.117 1.562 1.00 12.78 C +ATOM 567 C THR A 73 21.771 56.741 2.879 1.00 12.77 C +ATOM 568 O THR A 73 22.215 56.063 3.743 1.00 17.32 O +ATOM 569 CB THR A 73 20.329 55.139 1.740 1.00 15.29 C +ATOM 570 OG1 THR A 73 20.108 54.557 0.509 1.00 16.57 O +ATOM 571 CG2 THR A 73 19.046 55.727 2.281 1.00 8.62 C +ATOM 572 N TRP A 74 21.584 58.040 2.994 1.00 9.96 N +ATOM 573 CA TRP A 74 21.872 58.699 4.229 1.00 7.52 C +ATOM 574 C TRP A 74 20.569 58.993 4.891 1.00 11.96 C +ATOM 575 O TRP A 74 19.660 59.473 4.172 1.00 15.63 O +ATOM 576 CB TRP A 74 22.540 60.017 4.039 1.00 8.50 C +ATOM 577 CG TRP A 74 23.869 59.829 3.431 1.00 13.25 C +ATOM 578 CD1 TRP A 74 24.113 59.645 2.109 1.00 12.67 C +ATOM 579 CD2 TRP A 74 25.111 59.814 4.096 1.00 4.26 C +ATOM 580 NE1 TRP A 74 25.456 59.499 1.909 1.00 16.26 N +ATOM 581 CE2 TRP A 74 26.096 59.628 3.096 1.00 13.00 C +ATOM 582 CE3 TRP A 74 25.497 59.944 5.447 1.00 3.70 C +ATOM 583 CZ2 TRP A 74 27.456 59.553 3.407 1.00 10.54 C +ATOM 584 CZ3 TRP A 74 26.855 59.883 5.751 1.00 12.92 C +ATOM 585 CH2 TRP A 74 27.823 59.653 4.736 1.00 8.62 C +ATOM 586 N VAL A 75 20.530 58.679 6.199 1.00 12.16 N +ATOM 587 CA VAL A 75 19.390 58.861 7.102 1.00 19.42 C +ATOM 588 C VAL A 75 19.709 59.632 8.378 1.00 15.46 C +ATOM 589 O VAL A 75 20.879 59.764 8.815 1.00 6.41 O +ATOM 590 CB VAL A 75 18.466 57.684 7.314 1.00 22.41 C +ATOM 591 CG1 VAL A 75 17.982 57.154 5.974 1.00 9.28 C +ATOM 592 CG2 VAL A 75 19.127 56.602 8.176 1.00 22.60 C +ATOM 593 N LYS A 76 18.661 60.178 8.999 1.00 12.39 N +ATOM 594 CA LYS A 76 18.944 60.955 10.172 1.00 21.46 C +ATOM 595 C LYS A 76 18.478 60.435 11.504 1.00 22.04 C +ATOM 596 O LYS A 76 18.744 61.005 12.534 1.00 14.57 O +ATOM 597 CB LYS A 76 18.576 62.403 9.940 1.00 25.63 C +ATOM 598 CG LYS A 76 19.493 63.144 8.953 1.00 32.10 C +ATOM 599 CD LYS A 76 19.240 64.646 9.052 1.00 41.79 C +ATOM 600 CE LYS A 76 20.146 65.554 8.230 1.00 51.88 C +ATOM 601 NZ LYS A 76 20.311 66.914 8.794 1.00 52.52 N +ATOM 602 N SER A 77 17.776 59.349 11.509 1.00 20.30 N +ATOM 603 CA SER A 77 17.333 58.842 12.761 1.00 15.51 C +ATOM 604 C SER A 77 17.082 57.357 12.620 1.00 16.90 C +ATOM 605 O SER A 77 17.056 56.814 11.517 1.00 15.72 O +ATOM 606 CB SER A 77 16.037 59.518 13.151 1.00 16.97 C +ATOM 607 OG SER A 77 15.022 59.191 12.215 1.00 17.56 O +ATOM 608 N VAL A 78 16.888 56.741 13.761 1.00 9.00 N +ATOM 609 CA VAL A 78 16.638 55.331 13.892 1.00 18.96 C +ATOM 610 C VAL A 78 15.394 54.973 13.133 1.00 3.64 C +ATOM 611 O VAL A 78 15.346 54.006 12.378 1.00 12.73 O +ATOM 612 CB VAL A 78 16.577 54.916 15.390 1.00 20.08 C +ATOM 613 CG1 VAL A 78 15.856 53.594 15.543 1.00 16.80 C +ATOM 614 CG2 VAL A 78 17.979 54.742 15.963 1.00 16.08 C +ATOM 615 N ASP A 79 14.391 55.788 13.328 1.00 2.76 N +ATOM 616 CA ASP A 79 13.115 55.566 12.664 1.00 10.81 C +ATOM 617 C ASP A 79 13.197 55.733 11.128 1.00 7.99 C +ATOM 618 O ASP A 79 12.576 54.955 10.286 1.00 4.82 O +ATOM 619 CB ASP A 79 12.103 56.527 13.279 1.00 21.62 C +ATOM 620 CG ASP A 79 11.601 55.977 14.571 1.00 41.09 C +ATOM 621 OD1 ASP A 79 11.739 54.809 14.895 1.00 45.73 O +ATOM 622 OD2 ASP A 79 11.020 56.885 15.310 1.00 55.31 O +ATOM 623 N GLU A 80 13.998 56.768 10.754 1.00 1.13 N +ATOM 624 CA GLU A 80 14.125 57.010 9.346 1.00 6.81 C +ATOM 625 C GLU A 80 14.772 55.836 8.652 1.00 12.22 C +ATOM 626 O GLU A 80 14.340 55.420 7.594 1.00 12.62 O +ATOM 627 CB GLU A 80 14.751 58.366 8.998 1.00 4.85 C +ATOM 628 CG GLU A 80 14.773 58.587 7.485 1.00 15.94 C +ATOM 629 CD GLU A 80 15.423 59.892 7.049 1.00 15.23 C +ATOM 630 OE1 GLU A 80 15.948 60.563 8.045 1.00 14.02 O +ATOM 631 OE2 GLU A 80 15.357 60.311 5.889 1.00 18.92 O +ATOM 632 N ALA A 81 15.836 55.319 9.279 1.00 7.68 N +ATOM 633 CA ALA A 81 16.637 54.202 8.803 1.00 2.31 C +ATOM 634 C ALA A 81 15.818 52.986 8.667 1.00 2.06 C +ATOM 635 O ALA A 81 15.992 52.196 7.760 1.00 4.16 O +ATOM 636 CB ALA A 81 17.691 53.912 9.889 1.00 5.80 C +ATOM 637 N ILE A 82 14.908 52.833 9.593 1.00 11.15 N +ATOM 638 CA ILE A 82 14.052 51.649 9.546 1.00 16.51 C +ATOM 639 C ILE A 82 13.054 51.716 8.412 1.00 19.08 C +ATOM 640 O ILE A 82 12.666 50.716 7.873 1.00 13.38 O +ATOM 641 CB ILE A 82 13.339 51.441 10.858 1.00 13.58 C +ATOM 642 CG1 ILE A 82 14.300 50.868 11.877 1.00 8.63 C +ATOM 643 CG2 ILE A 82 12.128 50.524 10.717 1.00 16.35 C +ATOM 644 CD1 ILE A 82 13.622 50.810 13.245 1.00 7.61 C +ATOM 645 N ALA A 83 12.655 52.913 8.071 1.00 14.55 N +ATOM 646 CA ALA A 83 11.730 53.111 7.012 1.00 9.21 C +ATOM 647 C ALA A 83 12.408 53.057 5.619 1.00 12.53 C +ATOM 648 O ALA A 83 11.851 52.549 4.639 1.00 13.02 O +ATOM 649 CB ALA A 83 11.090 54.452 7.215 1.00 3.16 C +ATOM 650 N ALA A 84 13.616 53.571 5.512 1.00 6.28 N +ATOM 651 CA ALA A 84 14.263 53.512 4.216 1.00 5.24 C +ATOM 652 C ALA A 84 14.474 52.047 3.811 1.00 7.84 C +ATOM 653 O ALA A 84 14.752 51.731 2.683 1.00 14.80 O +ATOM 654 CB ALA A 84 15.599 54.316 4.138 1.00 1.00 C +ATOM 655 N CYS A 85 14.345 51.130 4.741 1.00 14.36 N +ATOM 656 CA CYS A 85 14.538 49.717 4.444 1.00 15.38 C +ATOM 657 C CYS A 85 13.336 49.138 3.740 1.00 16.29 C +ATOM 658 O CYS A 85 13.434 48.216 2.944 1.00 27.70 O +ATOM 659 CB CYS A 85 14.838 48.848 5.710 1.00 14.84 C +ATOM 660 SG CYS A 85 16.416 49.153 6.520 1.00 6.64 S +ATOM 661 N GLY A 86 12.171 49.681 4.040 1.00 22.61 N +ATOM 662 CA GLY A 86 11.002 49.145 3.392 1.00 24.65 C +ATOM 663 C GLY A 86 10.548 47.900 4.099 1.00 28.97 C +ATOM 664 O GLY A 86 10.900 47.646 5.237 1.00 34.35 O +ATOM 665 N ASP A 87 9.746 47.135 3.413 1.00 29.75 N +ATOM 666 CA ASP A 87 9.203 45.930 3.962 1.00 32.48 C +ATOM 667 C ASP A 87 10.029 44.720 3.632 1.00 25.52 C +ATOM 668 O ASP A 87 9.812 44.083 2.634 1.00 42.36 O +ATOM 669 CB ASP A 87 7.733 45.824 3.477 1.00 51.93 C +ATOM 670 CG ASP A 87 6.895 47.024 3.914 1.00 68.00 C +ATOM 671 OD1 ASP A 87 7.053 47.591 4.992 1.00 77.51 O +ATOM 672 OD2 ASP A 87 5.967 47.385 3.051 1.00 66.12 O +ATOM 673 N VAL A 88 10.978 44.375 4.449 1.00 12.83 N +ATOM 674 CA VAL A 88 11.787 43.226 4.160 1.00 8.90 C +ATOM 675 C VAL A 88 11.779 42.352 5.377 1.00 9.69 C +ATOM 676 O VAL A 88 11.395 42.763 6.468 1.00 13.18 O +ATOM 677 CB VAL A 88 13.228 43.528 3.781 1.00 10.96 C +ATOM 678 CG1 VAL A 88 13.243 44.426 2.568 1.00 8.23 C +ATOM 679 CG2 VAL A 88 13.982 44.178 4.970 1.00 5.88 C +ATOM 680 N PRO A 89 12.179 41.123 5.180 1.00 7.69 N +ATOM 681 CA PRO A 89 12.177 40.235 6.276 1.00 18.11 C +ATOM 682 C PRO A 89 13.210 40.537 7.361 1.00 21.34 C +ATOM 683 O PRO A 89 12.975 40.435 8.575 1.00 26.05 O +ATOM 684 CB PRO A 89 12.443 38.861 5.687 1.00 11.50 C +ATOM 685 CG PRO A 89 12.564 39.019 4.192 1.00 7.25 C +ATOM 686 CD PRO A 89 12.200 40.438 3.875 1.00 2.79 C +ATOM 687 N GLU A 90 14.387 40.907 6.975 1.00 9.88 N +ATOM 688 CA GLU A 90 15.314 41.119 8.066 1.00 13.19 C +ATOM 689 C GLU A 90 16.256 42.250 7.810 1.00 6.59 C +ATOM 690 O GLU A 90 16.821 42.312 6.723 1.00 14.51 O +ATOM 691 CB GLU A 90 16.129 39.777 8.167 1.00 10.32 C +ATOM 692 CG GLU A 90 17.168 39.782 9.305 1.00 8.20 C +ATOM 693 CD GLU A 90 17.866 38.437 9.476 1.00 22.53 C +ATOM 694 OE1 GLU A 90 18.013 37.621 8.573 1.00 18.89 O +ATOM 695 OE2 GLU A 90 18.347 38.258 10.705 1.00 20.05 O +ATOM 696 N ILE A 91 16.420 43.143 8.767 1.00 6.28 N +ATOM 697 CA ILE A 91 17.350 44.305 8.594 1.00 3.18 C +ATOM 698 C ILE A 91 18.621 43.977 9.371 1.00 10.44 C +ATOM 699 O ILE A 91 18.509 43.420 10.465 1.00 15.14 O +ATOM 700 CB ILE A 91 16.737 45.579 9.200 1.00 11.84 C +ATOM 701 CG1 ILE A 91 15.444 45.880 8.456 1.00 4.81 C +ATOM 702 CG2 ILE A 91 17.781 46.702 9.180 1.00 1.27 C +ATOM 703 CD1 ILE A 91 14.621 47.039 9.041 1.00 12.12 C +ATOM 704 N MET A 92 19.785 44.284 8.850 1.00 7.36 N +ATOM 705 CA MET A 92 20.958 43.943 9.610 1.00 3.81 C +ATOM 706 C MET A 92 21.650 45.172 10.154 1.00 7.15 C +ATOM 707 O MET A 92 21.895 46.123 9.430 1.00 5.56 O +ATOM 708 CB MET A 92 21.989 43.099 8.818 1.00 15.52 C +ATOM 709 CG MET A 92 21.440 41.807 8.258 1.00 15.84 C +ATOM 710 SD MET A 92 21.005 40.563 9.507 1.00 15.32 S +ATOM 711 CE MET A 92 22.684 40.075 10.011 1.00 21.66 C +ATOM 712 N VAL A 93 21.954 45.191 11.458 1.00 16.89 N +ATOM 713 CA VAL A 93 22.628 46.367 12.005 1.00 12.55 C +ATOM 714 C VAL A 93 24.093 46.001 12.112 1.00 15.27 C +ATOM 715 O VAL A 93 24.449 45.011 12.759 1.00 18.10 O +ATOM 716 CB VAL A 93 21.999 46.929 13.262 1.00 8.00 C +ATOM 717 CG1 VAL A 93 22.777 48.147 13.743 1.00 4.14 C +ATOM 718 CG2 VAL A 93 20.539 47.342 12.989 1.00 3.40 C +ATOM 719 N ILE A 94 24.941 46.777 11.443 1.00 4.42 N +ATOM 720 CA ILE A 94 26.342 46.455 11.500 1.00 7.27 C +ATOM 721 C ILE A 94 27.264 47.202 12.462 1.00 14.12 C +ATOM 722 O ILE A 94 28.463 46.830 12.501 1.00 20.61 O +ATOM 723 CB ILE A 94 26.994 46.191 10.151 1.00 1.27 C +ATOM 724 CG1 ILE A 94 26.970 47.523 9.423 1.00 7.44 C +ATOM 725 CG2 ILE A 94 26.229 45.100 9.438 1.00 2.45 C +ATOM 726 CD1 ILE A 94 28.127 47.567 8.407 1.00 24.48 C +ATOM 727 N GLY A 95 26.718 48.206 13.212 1.00 10.83 N +ATOM 728 CA GLY A 95 27.489 48.979 14.188 1.00 17.18 C +ATOM 729 C GLY A 95 27.602 50.429 13.746 1.00 17.64 C +ATOM 730 O GLY A 95 26.941 50.795 12.746 1.00 19.59 O +ATOM 731 N GLY A 96 28.436 51.235 14.439 1.00 8.75 N +ATOM 732 CA GLY A 96 29.225 50.796 15.584 1.00 11.38 C +ATOM 733 C GLY A 96 28.534 50.837 16.961 1.00 9.40 C +ATOM 734 O GLY A 96 27.326 50.629 17.098 1.00 11.25 O +ATOM 735 N GLY A 97 29.346 51.103 17.996 1.00 5.74 N +ATOM 736 CA GLY A 97 28.865 51.177 19.362 1.00 4.34 C +ATOM 737 C GLY A 97 27.555 51.903 19.577 1.00 9.61 C +ATOM 738 O GLY A 97 26.610 51.276 20.061 1.00 15.25 O +ATOM 739 N ARG A 98 27.492 53.215 19.231 1.00 11.77 N +ATOM 740 CA ARG A 98 26.254 53.964 19.436 1.00 19.75 C +ATOM 741 C ARG A 98 25.096 53.311 18.756 1.00 19.49 C +ATOM 742 O ARG A 98 23.980 53.198 19.259 1.00 24.04 O +ATOM 743 CB ARG A 98 26.338 55.434 19.035 1.00 30.49 C +ATOM 744 CG ARG A 98 26.399 56.423 20.230 1.00 52.45 C +ATOM 745 CD ARG A 98 25.073 56.735 20.995 1.00 61.42 C +ATOM 746 NE ARG A 98 24.336 57.988 20.633 1.00 66.93 N +ATOM 747 CZ ARG A 98 23.043 58.294 20.996 1.00 70.84 C +ATOM 748 NH1 ARG A 98 22.287 57.471 21.735 1.00 71.09 N +ATOM 749 NH2 ARG A 98 22.479 59.457 20.610 1.00 69.92 N +ATOM 750 N VAL A 99 25.404 52.867 17.559 1.00 17.14 N +ATOM 751 CA VAL A 99 24.413 52.213 16.716 1.00 8.15 C +ATOM 752 C VAL A 99 23.882 50.963 17.323 1.00 7.31 C +ATOM 753 O VAL A 99 22.729 50.809 17.386 1.00 11.66 O +ATOM 754 CB VAL A 99 24.893 52.026 15.266 1.00 3.12 C +ATOM 755 CG1 VAL A 99 23.871 51.112 14.654 1.00 11.61 C +ATOM 756 CG2 VAL A 99 24.734 53.428 14.622 1.00 5.86 C +ATOM 757 N TYR A 100 24.776 50.098 17.770 1.00 10.46 N +ATOM 758 CA TYR A 100 24.369 48.891 18.361 1.00 17.86 C +ATOM 759 C TYR A 100 23.382 49.147 19.495 1.00 26.36 C +ATOM 760 O TYR A 100 22.288 48.564 19.555 1.00 23.02 O +ATOM 761 CB TYR A 100 25.582 48.150 18.892 1.00 2.73 C +ATOM 762 CG TYR A 100 26.289 47.334 17.797 1.00 11.04 C +ATOM 763 CD1 TYR A 100 25.598 46.707 16.755 1.00 7.72 C +ATOM 764 CD2 TYR A 100 27.686 47.226 17.826 1.00 5.17 C +ATOM 765 CE1 TYR A 100 26.284 45.983 15.760 1.00 8.09 C +ATOM 766 CE2 TYR A 100 28.360 46.490 16.848 1.00 17.91 C +ATOM 767 CZ TYR A 100 27.672 45.859 15.814 1.00 13.59 C +ATOM 768 OH TYR A 100 28.406 45.158 14.865 1.00 22.21 O +ATOM 769 N GLU A 101 23.803 50.065 20.368 1.00 20.41 N +ATOM 770 CA GLU A 101 23.049 50.466 21.531 1.00 26.71 C +ATOM 771 C GLU A 101 21.633 50.843 21.278 1.00 22.85 C +ATOM 772 O GLU A 101 20.741 50.464 22.019 1.00 23.93 O +ATOM 773 CB GLU A 101 23.630 51.716 22.145 1.00 22.57 C +ATOM 774 CG GLU A 101 24.578 51.364 23.242 1.00 34.82 C +ATOM 775 CD GLU A 101 24.744 52.586 24.025 1.00 52.46 C +ATOM 776 OE1 GLU A 101 23.778 53.222 24.419 1.00 60.57 O +ATOM 777 OE2 GLU A 101 25.985 53.021 24.004 1.00 60.17 O +ATOM 778 N GLN A 102 21.499 51.630 20.235 1.00 17.08 N +ATOM 779 CA GLN A 102 20.230 52.141 19.809 1.00 11.94 C +ATOM 780 C GLN A 102 19.319 51.084 19.196 1.00 8.85 C +ATOM 781 O GLN A 102 18.113 51.120 19.349 1.00 14.71 O +ATOM 782 CB GLN A 102 20.472 53.328 18.793 1.00 2.29 C +ATOM 783 CG GLN A 102 21.003 54.588 19.474 1.00 18.28 C +ATOM 784 CD GLN A 102 21.491 55.639 18.472 1.00 19.16 C +ATOM 785 OE1 GLN A 102 20.736 56.572 18.099 1.00 13.71 O +ATOM 786 NE2 GLN A 102 22.728 55.464 18.014 1.00 10.51 N +ATOM 787 N PHE A 103 19.867 50.130 18.460 1.00 7.97 N +ATOM 788 CA PHE A 103 18.988 49.155 17.812 1.00 10.69 C +ATOM 789 C PHE A 103 18.596 47.948 18.620 1.00 15.94 C +ATOM 790 O PHE A 103 17.542 47.296 18.422 1.00 8.95 O +ATOM 791 CB PHE A 103 19.546 48.789 16.380 1.00 11.99 C +ATOM 792 CG PHE A 103 19.337 49.871 15.337 1.00 7.55 C +ATOM 793 CD1 PHE A 103 20.240 50.916 15.165 1.00 3.61 C +ATOM 794 CD2 PHE A 103 18.182 49.871 14.566 1.00 5.05 C +ATOM 795 CE1 PHE A 103 20.015 51.932 14.239 1.00 14.60 C +ATOM 796 CE2 PHE A 103 17.941 50.880 13.637 1.00 6.30 C +ATOM 797 CZ PHE A 103 18.858 51.913 13.460 1.00 15.41 C +ATOM 798 N LEU A 104 19.482 47.676 19.541 1.00 15.57 N +ATOM 799 CA LEU A 104 19.349 46.546 20.420 1.00 18.98 C +ATOM 800 C LEU A 104 17.973 46.283 21.040 1.00 12.24 C +ATOM 801 O LEU A 104 17.467 45.177 21.059 1.00 7.84 O +ATOM 802 CB LEU A 104 20.494 46.566 21.465 1.00 17.65 C +ATOM 803 CG LEU A 104 20.297 45.555 22.571 1.00 22.56 C +ATOM 804 CD1 LEU A 104 20.144 44.157 21.964 1.00 25.85 C +ATOM 805 CD2 LEU A 104 21.481 45.586 23.517 1.00 21.26 C +ATOM 806 N PRO A 105 17.375 47.282 21.594 1.00 11.89 N +ATOM 807 CA PRO A 105 16.057 47.111 22.231 1.00 16.35 C +ATOM 808 C PRO A 105 14.985 46.883 21.197 1.00 15.62 C +ATOM 809 O PRO A 105 13.842 46.644 21.522 1.00 19.03 O +ATOM 810 CB PRO A 105 15.784 48.409 22.978 1.00 12.58 C +ATOM 811 CG PRO A 105 17.039 49.272 22.766 1.00 13.21 C +ATOM 812 CD PRO A 105 18.131 48.352 22.233 1.00 8.57 C +ATOM 813 N LYS A 106 15.412 46.952 19.936 1.00 20.46 N +ATOM 814 CA LYS A 106 14.519 46.759 18.795 1.00 13.43 C +ATOM 815 C LYS A 106 14.722 45.447 18.096 1.00 7.08 C +ATOM 816 O LYS A 106 13.877 44.926 17.415 1.00 10.70 O +ATOM 817 CB LYS A 106 14.728 47.888 17.843 1.00 15.34 C +ATOM 818 CG LYS A 106 14.088 49.174 18.354 1.00 14.85 C +ATOM 819 CD LYS A 106 13.516 49.953 17.189 1.00 23.96 C +ATOM 820 CE LYS A 106 12.507 51.002 17.624 1.00 34.68 C +ATOM 821 NZ LYS A 106 13.140 52.294 17.895 1.00 34.12 N +ATOM 822 N ALA A 107 15.889 44.925 18.299 1.00 11.03 N +ATOM 823 CA ALA A 107 16.312 43.676 17.721 1.00 6.74 C +ATOM 824 C ALA A 107 15.662 42.493 18.351 1.00 14.25 C +ATOM 825 O ALA A 107 15.213 42.515 19.472 1.00 22.62 O +ATOM 826 CB ALA A 107 17.807 43.578 18.016 1.00 6.32 C +ATOM 827 N GLN A 108 15.667 41.410 17.600 1.00 22.97 N +ATOM 828 CA GLN A 108 15.101 40.159 18.015 1.00 4.76 C +ATOM 829 C GLN A 108 16.102 39.078 17.861 1.00 11.24 C +ATOM 830 O GLN A 108 15.898 37.952 18.305 1.00 9.58 O +ATOM 831 CB GLN A 108 13.868 39.784 17.205 1.00 22.84 C +ATOM 832 CG GLN A 108 12.605 40.544 17.695 1.00 49.38 C +ATOM 833 CD GLN A 108 11.853 39.958 18.910 1.00 60.31 C +ATOM 834 OE1 GLN A 108 11.832 38.729 19.184 1.00 62.65 O +ATOM 835 NE2 GLN A 108 11.129 40.850 19.592 1.00 64.82 N +ATOM 836 N LYS A 109 17.199 39.465 17.226 1.00 18.00 N +ATOM 837 CA LYS A 109 18.242 38.518 16.993 1.00 16.17 C +ATOM 838 C LYS A 109 19.596 39.105 17.060 1.00 13.79 C +ATOM 839 O LYS A 109 19.742 40.264 16.727 1.00 21.69 O +ATOM 840 CB LYS A 109 18.092 38.175 15.581 1.00 9.69 C +ATOM 841 CG LYS A 109 18.117 36.735 15.362 1.00 19.08 C +ATOM 842 CD LYS A 109 17.251 36.504 14.173 1.00 19.98 C +ATOM 843 CE LYS A 109 17.384 35.118 13.580 1.00 25.60 C +ATOM 844 NZ LYS A 109 16.058 34.688 13.141 1.00 36.45 N +ATOM 845 N LEU A 110 20.512 38.238 17.453 1.00 15.04 N +ATOM 846 CA LEU A 110 21.902 38.523 17.589 1.00 13.96 C +ATOM 847 C LEU A 110 22.800 37.430 17.024 1.00 13.54 C +ATOM 848 O LEU A 110 22.796 36.241 17.410 1.00 22.63 O +ATOM 849 CB LEU A 110 22.394 38.872 19.011 1.00 18.71 C +ATOM 850 CG LEU A 110 21.437 39.710 19.879 1.00 24.84 C +ATOM 851 CD1 LEU A 110 21.824 39.576 21.353 1.00 29.08 C +ATOM 852 CD2 LEU A 110 21.567 41.176 19.521 1.00 28.79 C +ATOM 853 N TYR A 111 23.582 37.892 16.079 1.00 4.96 N +ATOM 854 CA TYR A 111 24.554 37.106 15.405 1.00 7.12 C +ATOM 855 C TYR A 111 25.865 37.535 15.950 1.00 13.75 C +ATOM 856 O TYR A 111 26.372 38.633 15.682 1.00 11.99 O +ATOM 857 CB TYR A 111 24.593 37.422 13.947 1.00 4.81 C +ATOM 858 CG TYR A 111 23.371 37.026 13.167 1.00 13.70 C +ATOM 859 CD1 TYR A 111 22.253 37.868 13.154 1.00 18.24 C +ATOM 860 CD2 TYR A 111 23.354 35.857 12.393 1.00 9.24 C +ATOM 861 CE1 TYR A 111 21.113 37.569 12.400 1.00 13.95 C +ATOM 862 CE2 TYR A 111 22.223 35.524 11.638 1.00 13.23 C +ATOM 863 CZ TYR A 111 21.119 36.386 11.654 1.00 15.41 C +ATOM 864 OH TYR A 111 20.024 36.095 10.912 1.00 19.52 O +ATOM 865 N LEU A 112 26.425 36.681 16.731 1.00 12.78 N +ATOM 866 CA LEU A 112 27.684 37.115 17.278 1.00 13.98 C +ATOM 867 C LEU A 112 28.798 36.106 17.088 1.00 12.80 C +ATOM 868 O LEU A 112 28.557 34.909 17.056 1.00 14.66 O +ATOM 869 CB LEU A 112 27.563 37.378 18.820 1.00 17.41 C +ATOM 870 CG LEU A 112 26.251 37.971 19.369 1.00 21.49 C +ATOM 871 CD1 LEU A 112 26.331 37.902 20.889 1.00 21.44 C +ATOM 872 CD2 LEU A 112 26.090 39.425 19.014 1.00 22.00 C +ATOM 873 N THR A 113 30.004 36.678 16.949 1.00 12.45 N +ATOM 874 CA THR A 113 31.267 36.032 16.807 1.00 17.52 C +ATOM 875 C THR A 113 32.036 36.418 18.071 1.00 25.72 C +ATOM 876 O THR A 113 32.272 37.607 18.298 1.00 27.36 O +ATOM 877 CB THR A 113 32.060 36.429 15.543 1.00 13.91 C +ATOM 878 OG1 THR A 113 31.247 36.174 14.393 1.00 15.68 O +ATOM 879 CG2 THR A 113 33.338 35.568 15.484 1.00 9.25 C +ATOM 880 N HIS A 114 32.406 35.398 18.878 1.00 23.13 N +ATOM 881 CA HIS A 114 33.140 35.529 20.145 1.00 19.48 C +ATOM 882 C HIS A 114 34.593 35.279 19.897 1.00 12.04 C +ATOM 883 O HIS A 114 34.933 34.164 19.709 1.00 7.06 O +ATOM 884 CB HIS A 114 32.594 34.524 21.181 1.00 7.53 C +ATOM 885 CG HIS A 114 31.201 34.869 21.665 1.00 6.70 C +ATOM 886 ND1 HIS A 114 30.998 35.987 22.398 1.00 11.16 N +ATOM 887 CD2 HIS A 114 29.982 34.256 21.493 1.00 8.97 C +ATOM 888 CE1 HIS A 114 29.708 36.049 22.680 1.00 10.91 C +ATOM 889 NE2 HIS A 114 29.066 35.033 22.172 1.00 12.19 N +ATOM 890 N ILE A 115 35.436 36.280 19.876 1.00 17.63 N +ATOM 891 CA ILE A 115 36.826 35.988 19.585 1.00 24.41 C +ATOM 892 C ILE A 115 37.726 35.840 20.784 1.00 25.46 C +ATOM 893 O ILE A 115 37.901 36.748 21.584 1.00 26.53 O +ATOM 894 CB ILE A 115 37.382 37.000 18.635 1.00 24.37 C +ATOM 895 CG1 ILE A 115 36.429 37.078 17.464 1.00 20.89 C +ATOM 896 CG2 ILE A 115 38.806 36.594 18.227 1.00 15.48 C +ATOM 897 CD1 ILE A 115 36.612 38.390 16.710 1.00 24.91 C +ATOM 898 N ASP A 116 38.258 34.667 20.957 1.00 23.55 N +ATOM 899 CA ASP A 116 39.091 34.475 22.109 1.00 25.03 C +ATOM 900 C ASP A 116 40.396 35.251 22.035 1.00 22.65 C +ATOM 901 O ASP A 116 41.459 34.711 21.751 1.00 20.36 O +ATOM 902 CB ASP A 116 39.157 32.990 22.480 1.00 23.95 C +ATOM 903 CG ASP A 116 37.786 32.362 22.366 1.00 32.53 C +ATOM 904 OD1 ASP A 116 36.722 32.986 22.413 1.00 31.57 O +ATOM 905 OD2 ASP A 116 37.859 31.082 22.125 1.00 37.48 O +ATOM 906 N ALA A 117 40.247 36.554 22.308 1.00 24.51 N +ATOM 907 CA ALA A 117 41.304 37.549 22.305 1.00 29.43 C +ATOM 908 C ALA A 117 41.103 38.671 23.286 1.00 31.04 C +ATOM 909 O ALA A 117 39.998 39.111 23.510 1.00 32.57 O +ATOM 910 CB ALA A 117 41.375 38.245 20.960 1.00 30.33 C +ATOM 911 N GLU A 118 42.218 39.116 23.840 1.00 37.16 N +ATOM 912 CA GLU A 118 42.276 40.203 24.790 1.00 42.66 C +ATOM 913 C GLU A 118 42.883 41.366 24.069 1.00 45.58 C +ATOM 914 O GLU A 118 43.986 41.231 23.515 1.00 53.05 O +ATOM 915 CB GLU A 118 43.207 39.938 25.990 1.00 51.00 C +ATOM 916 CG GLU A 118 42.953 38.614 26.694 1.00 57.82 C +ATOM 917 CD GLU A 118 43.887 38.390 27.867 1.00 20.00 C +ATOM 918 OE1 GLU A 118 44.733 39.271 28.129 1.00 20.00 O +ATOM 919 OE2 GLU A 118 43.773 37.334 28.524 1.00 20.00 O +ATOM 920 N VAL A 119 42.181 42.486 24.077 1.00 35.11 N +ATOM 921 CA VAL A 119 42.685 43.661 23.416 1.00 41.09 C +ATOM 922 C VAL A 119 42.123 44.851 24.137 1.00 44.49 C +ATOM 923 O VAL A 119 41.033 44.779 24.647 1.00 29.96 O +ATOM 924 CB VAL A 119 42.348 43.730 21.917 1.00 37.10 C +ATOM 925 CG1 VAL A 119 42.145 42.338 21.331 1.00 27.07 C +ATOM 926 CG2 VAL A 119 41.179 44.681 21.621 1.00 35.08 C +ATOM 927 N GLU A 120 42.888 45.931 24.185 1.00 61.78 N +ATOM 928 CA GLU A 120 42.409 47.123 24.851 1.00 67.08 C +ATOM 929 C GLU A 120 41.706 47.954 23.789 1.00 64.34 C +ATOM 930 O GLU A 120 42.276 48.302 22.738 1.00 68.21 O +ATOM 931 CB GLU A 120 43.515 47.897 25.620 1.00 73.26 C +ATOM 932 CG GLU A 120 42.989 48.833 26.754 1.00 78.39 C +ATOM 933 CD GLU A 120 42.871 50.323 26.462 1.00 83.52 C +ATOM 934 OE1 GLU A 120 43.619 50.952 25.713 1.00 86.96 O +ATOM 935 OE2 GLU A 120 41.937 50.896 27.189 1.00 82.94 O +ATOM 936 N GLY A 121 40.452 48.266 24.042 1.00 50.40 N +ATOM 937 CA GLY A 121 39.749 49.040 23.061 1.00 37.60 C +ATOM 938 C GLY A 121 38.802 50.006 23.713 1.00 31.89 C +ATOM 939 O GLY A 121 38.259 49.772 24.769 1.00 35.17 O +ATOM 940 N ASP A 122 38.661 51.088 23.031 1.00 30.76 N +ATOM 941 CA ASP A 122 37.841 52.148 23.410 1.00 43.14 C +ATOM 942 C ASP A 122 36.405 51.714 23.419 1.00 39.28 C +ATOM 943 O ASP A 122 35.636 52.190 24.224 1.00 42.33 O +ATOM 944 CB ASP A 122 38.011 53.222 22.323 1.00 65.76 C +ATOM 945 CG ASP A 122 37.601 54.588 22.758 1.00 80.89 C +ATOM 946 OD1 ASP A 122 38.293 55.285 23.492 1.00 84.70 O +ATOM 947 OD2 ASP A 122 36.392 54.902 22.337 1.00 85.24 O +ATOM 948 N THR A 123 35.973 50.820 22.536 1.00 30.17 N +ATOM 949 CA THR A 123 34.559 50.528 22.631 1.00 23.27 C +ATOM 950 C THR A 123 34.042 49.110 22.822 1.00 16.10 C +ATOM 951 O THR A 123 34.781 48.129 22.568 1.00 20.27 O +ATOM 952 CB THR A 123 33.685 51.457 21.782 1.00 36.52 C +ATOM 953 OG1 THR A 123 33.777 51.062 20.450 1.00 37.74 O +ATOM 954 CG2 THR A 123 34.196 52.921 21.837 1.00 47.02 C +ATOM 955 N HIS A 124 32.747 49.024 23.322 1.00 11.45 N +ATOM 956 CA HIS A 124 32.100 47.769 23.604 1.00 13.27 C +ATOM 957 C HIS A 124 30.697 47.647 23.230 1.00 16.35 C +ATOM 958 O HIS A 124 29.940 48.586 23.197 1.00 24.93 O +ATOM 959 CB HIS A 124 31.994 47.444 25.095 1.00 20.48 C +ATOM 960 CG HIS A 124 33.255 47.744 25.770 1.00 31.67 C +ATOM 961 ND1 HIS A 124 34.059 46.747 26.301 1.00 26.85 N +ATOM 962 CD2 HIS A 124 33.832 48.943 25.972 1.00 34.31 C +ATOM 963 CE1 HIS A 124 35.099 47.364 26.810 1.00 26.62 C +ATOM 964 NE2 HIS A 124 34.997 48.682 26.635 1.00 34.22 N +ATOM 965 N PHE A 125 30.374 46.411 23.023 1.00 14.19 N +ATOM 966 CA PHE A 125 29.048 46.021 22.668 1.00 8.97 C +ATOM 967 C PHE A 125 28.279 46.189 23.938 1.00 16.28 C +ATOM 968 O PHE A 125 28.837 46.031 25.003 1.00 21.91 O +ATOM 969 CB PHE A 125 29.090 44.538 22.270 1.00 10.53 C +ATOM 970 CG PHE A 125 27.888 44.103 21.576 1.00 10.67 C +ATOM 971 CD1 PHE A 125 27.684 44.432 20.239 1.00 21.41 C +ATOM 972 CD2 PHE A 125 26.924 43.389 22.271 1.00 9.20 C +ATOM 973 CE1 PHE A 125 26.514 44.049 19.589 1.00 19.44 C +ATOM 974 CE2 PHE A 125 25.752 42.990 21.636 1.00 18.43 C +ATOM 975 CZ PHE A 125 25.557 43.322 20.295 1.00 22.29 C +ATOM 976 N PRO A 126 27.026 46.533 23.805 1.00 19.13 N +ATOM 977 CA PRO A 126 26.161 46.756 24.932 1.00 21.50 C +ATOM 978 C PRO A 126 25.887 45.549 25.798 1.00 18.91 C +ATOM 979 O PRO A 126 25.649 44.434 25.357 1.00 23.84 O +ATOM 980 CB PRO A 126 24.817 47.242 24.369 1.00 19.36 C +ATOM 981 CG PRO A 126 24.915 47.164 22.842 1.00 20.79 C +ATOM 982 CD PRO A 126 26.274 46.551 22.507 1.00 18.03 C +ATOM 983 N ASP A 127 25.886 45.812 27.066 1.00 19.06 N +ATOM 984 CA ASP A 127 25.627 44.764 27.983 1.00 28.89 C +ATOM 985 C ASP A 127 24.212 44.246 27.848 1.00 34.69 C +ATOM 986 O ASP A 127 23.298 44.894 28.331 1.00 42.92 O +ATOM 987 CB ASP A 127 25.775 45.256 29.418 1.00 35.85 C +ATOM 988 CG ASP A 127 26.061 44.087 30.317 1.00 54.08 C +ATOM 989 OD1 ASP A 127 26.357 43.003 29.867 1.00 64.24 O +ATOM 990 OD2 ASP A 127 25.975 44.338 31.604 1.00 61.62 O +ATOM 991 N TYR A 128 23.987 43.098 27.219 1.00 29.23 N +ATOM 992 CA TYR A 128 22.597 42.684 27.169 1.00 30.01 C +ATOM 993 C TYR A 128 22.397 41.537 28.157 1.00 34.42 C +ATOM 994 O TYR A 128 23.369 40.800 28.475 1.00 32.40 O +ATOM 995 CB TYR A 128 22.217 42.221 25.795 1.00 17.08 C +ATOM 996 CG TYR A 128 23.137 41.087 25.529 1.00 19.25 C +ATOM 997 CD1 TYR A 128 24.449 41.298 25.108 1.00 22.36 C +ATOM 998 CD2 TYR A 128 22.710 39.783 25.739 1.00 20.87 C +ATOM 999 CE1 TYR A 128 25.307 40.231 24.842 1.00 20.41 C +ATOM 1000 CE2 TYR A 128 23.557 38.707 25.502 1.00 19.60 C +ATOM 1001 CZ TYR A 128 24.853 38.926 25.046 1.00 25.60 C +ATOM 1002 OH TYR A 128 25.677 37.818 24.808 1.00 23.22 O +ATOM 1003 N GLU A 129 21.137 41.417 28.613 1.00 30.38 N +ATOM 1004 CA GLU A 129 20.665 40.425 29.564 1.00 25.94 C +ATOM 1005 C GLU A 129 20.432 39.049 28.943 1.00 26.70 C +ATOM 1006 O GLU A 129 19.611 38.856 28.064 1.00 34.11 O +ATOM 1007 CB GLU A 129 19.528 40.914 30.520 1.00 25.70 C +ATOM 1008 CG GLU A 129 19.044 39.805 31.530 1.00 26.83 C +ATOM 1009 CD GLU A 129 17.950 40.349 32.416 0.00 20.00 C +ATOM 1010 OE1 GLU A 129 17.556 41.527 32.286 0.00 20.00 O +ATOM 1011 OE2 GLU A 129 17.481 39.561 33.264 0.00 20.00 O +ATOM 1012 N PRO A 130 21.182 38.080 29.435 1.00 28.83 N +ATOM 1013 CA PRO A 130 21.104 36.728 28.962 1.00 28.47 C +ATOM 1014 C PRO A 130 19.822 36.085 29.301 1.00 26.82 C +ATOM 1015 O PRO A 130 19.416 35.167 28.626 1.00 37.21 O +ATOM 1016 CB PRO A 130 22.215 35.952 29.606 1.00 34.93 C +ATOM 1017 CG PRO A 130 22.761 36.834 30.718 1.00 38.65 C +ATOM 1018 CD PRO A 130 22.082 38.181 30.610 1.00 31.00 C +ATOM 1019 N ASP A 131 19.159 36.533 30.345 1.00 23.16 N +ATOM 1020 CA ASP A 131 17.901 35.862 30.611 1.00 23.30 C +ATOM 1021 C ASP A 131 16.912 36.206 29.533 1.00 23.50 C +ATOM 1022 O ASP A 131 15.902 35.545 29.359 1.00 24.88 O +ATOM 1023 CB ASP A 131 17.220 36.358 31.907 1.00 20.71 C +ATOM 1024 CG ASP A 131 17.903 35.942 33.186 1.00 28.33 C +ATOM 1025 OD1 ASP A 131 18.968 35.164 33.013 1.00 29.42 O +ATOM 1026 OD2 ASP A 131 17.468 36.286 34.269 1.00 22.18 O +ATOM 1027 N ASP A 132 17.176 37.271 28.799 1.00 17.52 N +ATOM 1028 CA ASP A 132 16.223 37.655 27.769 1.00 20.18 C +ATOM 1029 C ASP A 132 16.405 37.101 26.377 1.00 24.39 C +ATOM 1030 O ASP A 132 15.534 37.251 25.508 1.00 18.15 O +ATOM 1031 CB ASP A 132 16.262 39.167 27.681 1.00 29.26 C +ATOM 1032 CG ASP A 132 15.600 39.822 28.847 1.00 43.40 C +ATOM 1033 OD1 ASP A 132 15.165 39.243 29.852 1.00 50.44 O +ATOM 1034 OD2 ASP A 132 15.555 41.105 28.636 1.00 50.38 O +ATOM 1035 N TRP A 133 17.548 36.469 26.200 1.00 24.68 N +ATOM 1036 CA TRP A 133 17.943 35.889 24.948 1.00 13.68 C +ATOM 1037 C TRP A 133 18.276 34.424 25.018 1.00 23.99 C +ATOM 1038 O TRP A 133 19.004 33.923 25.902 1.00 22.78 O +ATOM 1039 CB TRP A 133 19.211 36.597 24.510 1.00 7.57 C +ATOM 1040 CG TRP A 133 18.995 38.080 24.231 1.00 16.23 C +ATOM 1041 CD1 TRP A 133 19.049 39.089 25.142 1.00 14.68 C +ATOM 1042 CD2 TRP A 133 18.726 38.717 22.929 1.00 20.15 C +ATOM 1043 NE1 TRP A 133 18.835 40.314 24.524 1.00 18.77 N +ATOM 1044 CE2 TRP A 133 18.617 40.108 23.154 1.00 22.03 C +ATOM 1045 CE3 TRP A 133 18.584 38.244 21.621 1.00 17.44 C +ATOM 1046 CZ2 TRP A 133 18.369 40.999 22.112 1.00 13.99 C +ATOM 1047 CZ3 TRP A 133 18.349 39.141 20.595 1.00 24.83 C +ATOM 1048 CH2 TRP A 133 18.234 40.505 20.841 1.00 23.02 C +ATOM 1049 N GLU A 134 17.715 33.739 24.049 1.00 12.68 N +ATOM 1050 CA GLU A 134 17.927 32.356 23.931 1.00 16.57 C +ATOM 1051 C GLU A 134 18.943 31.970 22.832 1.00 14.65 C +ATOM 1052 O GLU A 134 18.752 32.309 21.677 1.00 20.97 O +ATOM 1053 CB GLU A 134 16.604 31.758 23.516 1.00 19.46 C +ATOM 1054 CG GLU A 134 16.851 30.259 23.529 1.00 24.52 C +ATOM 1055 CD GLU A 134 15.700 29.519 22.976 1.00 37.83 C +ATOM 1056 OE1 GLU A 134 14.653 30.078 22.649 1.00 47.60 O +ATOM 1057 OE2 GLU A 134 15.942 28.219 22.958 1.00 39.09 O +ATOM 1058 N SER A 135 20.004 31.263 23.179 1.00 10.26 N +ATOM 1059 CA SER A 135 21.018 30.786 22.255 1.00 20.36 C +ATOM 1060 C SER A 135 20.514 29.596 21.396 1.00 32.18 C +ATOM 1061 O SER A 135 20.392 28.455 21.892 1.00 29.94 O +ATOM 1062 CB SER A 135 22.322 30.454 22.996 1.00 26.97 C +ATOM 1063 OG SER A 135 23.370 29.982 22.127 1.00 29.06 O +ATOM 1064 N VAL A 136 20.220 29.852 20.104 1.00 25.88 N +ATOM 1065 CA VAL A 136 19.745 28.785 19.225 1.00 21.86 C +ATOM 1066 C VAL A 136 20.806 28.279 18.282 1.00 20.03 C +ATOM 1067 O VAL A 136 20.654 27.336 17.518 1.00 27.33 O +ATOM 1068 CB VAL A 136 18.514 29.210 18.463 1.00 21.64 C +ATOM 1069 CG1 VAL A 136 17.484 29.728 19.466 1.00 9.08 C +ATOM 1070 CG2 VAL A 136 18.933 30.300 17.459 1.00 17.93 C +ATOM 1071 N PHE A 137 21.932 28.883 18.281 1.00 28.99 N +ATOM 1072 CA PHE A 137 22.931 28.345 17.385 1.00 29.37 C +ATOM 1073 C PHE A 137 24.229 28.633 18.062 1.00 29.12 C +ATOM 1074 O PHE A 137 24.300 29.641 18.769 1.00 34.15 O +ATOM 1075 CB PHE A 137 22.860 28.698 15.859 1.00 21.51 C +ATOM 1076 CG PHE A 137 24.108 28.281 15.063 1.00 19.33 C +ATOM 1077 CD1 PHE A 137 25.213 29.136 14.973 1.00 19.71 C +ATOM 1078 CD2 PHE A 137 24.226 27.042 14.433 1.00 19.32 C +ATOM 1079 CE1 PHE A 137 26.375 28.789 14.283 1.00 20.01 C +ATOM 1080 CE2 PHE A 137 25.375 26.675 13.729 1.00 22.59 C +ATOM 1081 CZ PHE A 137 26.460 27.553 13.645 1.00 23.24 C +ATOM 1082 N SER A 138 25.201 27.745 17.860 1.00 17.75 N +ATOM 1083 CA SER A 138 26.495 27.902 18.448 1.00 22.96 C +ATOM 1084 C SER A 138 27.490 26.991 17.760 1.00 27.97 C +ATOM 1085 O SER A 138 27.181 25.855 17.492 1.00 39.82 O +ATOM 1086 CB SER A 138 26.382 27.569 19.915 1.00 25.62 C +ATOM 1087 OG SER A 138 27.656 27.228 20.313 1.00 31.65 O +ATOM 1088 N GLU A 139 28.683 27.460 17.475 1.00 26.71 N +ATOM 1089 CA GLU A 139 29.702 26.649 16.808 1.00 24.38 C +ATOM 1090 C GLU A 139 31.102 27.233 17.055 1.00 24.34 C +ATOM 1091 O GLU A 139 31.442 28.336 16.609 1.00 27.14 O +ATOM 1092 CB GLU A 139 29.328 26.505 15.323 1.00 25.86 C +ATOM 1093 CG GLU A 139 30.468 26.049 14.366 1.00 32.59 C +ATOM 1094 CD GLU A 139 30.118 26.129 12.895 1.00 30.41 C +ATOM 1095 OE1 GLU A 139 29.322 25.159 12.482 1.00 34.23 O +ATOM 1096 OE2 GLU A 139 30.558 26.990 12.167 1.00 36.94 O +ATOM 1097 N PHE A 140 31.883 26.475 17.802 1.00 22.12 N +ATOM 1098 CA PHE A 140 33.234 26.812 18.214 1.00 16.89 C +ATOM 1099 C PHE A 140 34.240 26.308 17.233 1.00 21.15 C +ATOM 1100 O PHE A 140 34.150 25.193 16.756 1.00 30.28 O +ATOM 1101 CB PHE A 140 33.487 26.104 19.575 1.00 9.93 C +ATOM 1102 CG PHE A 140 34.867 26.361 20.032 1.00 15.80 C +ATOM 1103 CD1 PHE A 140 35.229 27.649 20.419 1.00 13.39 C +ATOM 1104 CD2 PHE A 140 35.826 25.353 20.019 1.00 16.42 C +ATOM 1105 CE1 PHE A 140 36.530 27.935 20.808 1.00 16.63 C +ATOM 1106 CE2 PHE A 140 37.137 25.610 20.420 1.00 17.94 C +ATOM 1107 CZ PHE A 140 37.471 26.906 20.809 1.00 22.98 C +ATOM 1108 N HIS A 141 35.218 27.099 16.933 1.00 22.32 N +ATOM 1109 CA HIS A 141 36.198 26.657 16.008 1.00 21.25 C +ATOM 1110 C HIS A 141 37.536 26.980 16.576 1.00 24.43 C +ATOM 1111 O HIS A 141 37.678 28.023 17.203 1.00 26.50 O +ATOM 1112 CB HIS A 141 36.035 27.437 14.692 1.00 27.96 C +ATOM 1113 CG HIS A 141 34.768 27.113 13.974 1.00 31.86 C +ATOM 1114 ND1 HIS A 141 34.585 25.888 13.358 1.00 33.27 N +ATOM 1115 CD2 HIS A 141 33.641 27.852 13.775 1.00 33.46 C +ATOM 1116 CE1 HIS A 141 33.375 25.875 12.802 1.00 27.49 C +ATOM 1117 NE2 HIS A 141 32.790 27.043 13.036 1.00 32.82 N +ATOM 1118 N ASP A 142 38.502 26.092 16.363 1.00 24.79 N +ATOM 1119 CA ASP A 142 39.861 26.292 16.865 1.00 26.47 C +ATOM 1120 C ASP A 142 40.569 27.103 15.823 1.00 24.17 C +ATOM 1121 O ASP A 142 40.062 27.185 14.699 1.00 16.97 O +ATOM 1122 CB ASP A 142 40.645 24.950 16.990 1.00 28.92 C +ATOM 1123 CG ASP A 142 40.431 24.204 18.276 1.00 34.21 C +ATOM 1124 OD1 ASP A 142 40.518 24.727 19.390 1.00 26.69 O +ATOM 1125 OD2 ASP A 142 40.047 22.956 18.066 1.00 43.31 O +ATOM 1126 N ALA A 143 41.720 27.686 16.169 1.00 21.82 N +ATOM 1127 CA ALA A 143 42.439 28.458 15.177 1.00 26.24 C +ATOM 1128 C ALA A 143 42.967 27.508 14.123 1.00 26.24 C +ATOM 1129 O ALA A 143 42.907 26.330 14.266 1.00 38.42 O +ATOM 1130 CB ALA A 143 43.607 29.258 15.752 1.00 22.42 C +ATOM 1131 N ASP A 144 43.495 28.026 13.051 1.00 26.83 N +ATOM 1132 CA ASP A 144 44.017 27.184 12.035 1.00 29.90 C +ATOM 1133 C ASP A 144 44.920 28.030 11.212 1.00 31.28 C +ATOM 1134 O ASP A 144 45.246 29.152 11.581 1.00 41.95 O +ATOM 1135 CB ASP A 144 42.967 26.472 11.173 1.00 30.73 C +ATOM 1136 CG ASP A 144 42.071 27.432 10.468 1.00 31.86 C +ATOM 1137 OD1 ASP A 144 42.355 28.598 10.283 1.00 38.85 O +ATOM 1138 OD2 ASP A 144 40.934 26.907 10.110 1.00 33.83 O +ATOM 1139 N ALA A 145 45.303 27.494 10.095 1.00 25.60 N +ATOM 1140 CA ALA A 145 46.190 28.212 9.241 1.00 36.18 C +ATOM 1141 C ALA A 145 45.627 29.510 8.676 1.00 39.61 C +ATOM 1142 O ALA A 145 46.379 30.429 8.330 1.00 42.90 O +ATOM 1143 CB ALA A 145 46.702 27.252 8.184 1.00 40.63 C +ATOM 1144 N GLN A 146 44.304 29.589 8.583 1.00 30.35 N +ATOM 1145 CA GLN A 146 43.669 30.760 8.055 1.00 28.54 C +ATOM 1146 C GLN A 146 43.284 31.766 9.120 1.00 28.39 C +ATOM 1147 O GLN A 146 43.475 32.985 8.990 1.00 29.55 O +ATOM 1148 CB GLN A 146 42.370 30.243 7.446 1.00 36.06 C +ATOM 1149 CG GLN A 146 42.604 29.126 6.415 1.00 47.62 C +ATOM 1150 CD GLN A 146 42.595 29.691 5.012 1.00 56.15 C +ATOM 1151 OE1 GLN A 146 43.642 30.174 4.515 1.00 60.35 O +ATOM 1152 NE2 GLN A 146 41.398 29.702 4.397 1.00 55.98 N +ATOM 1153 N ASN A 147 42.707 31.204 10.171 1.00 20.15 N +ATOM 1154 CA ASN A 147 42.219 31.915 11.319 1.00 18.72 C +ATOM 1155 C ASN A 147 43.208 31.875 12.427 1.00 25.71 C +ATOM 1156 O ASN A 147 43.563 30.815 12.956 1.00 25.82 O +ATOM 1157 CB ASN A 147 40.850 31.354 11.737 1.00 7.65 C +ATOM 1158 CG ASN A 147 40.047 31.270 10.419 1.00 19.10 C +ATOM 1159 OD1 ASN A 147 39.759 32.308 9.801 1.00 20.18 O +ATOM 1160 ND2 ASN A 147 39.837 30.042 9.878 1.00 16.15 N +ATOM 1161 N SER A 148 43.591 33.088 12.744 1.00 25.93 N +ATOM 1162 CA SER A 148 44.547 33.478 13.752 1.00 16.77 C +ATOM 1163 C SER A 148 44.279 33.133 15.190 1.00 21.55 C +ATOM 1164 O SER A 148 45.252 32.895 15.926 1.00 29.89 O +ATOM 1165 CB SER A 148 45.036 34.907 13.527 1.00 20.75 C +ATOM 1166 OG SER A 148 44.041 35.887 13.816 1.00 27.59 O +ATOM 1167 N HIS A 149 42.997 33.120 15.569 1.00 17.87 N +ATOM 1168 CA HIS A 149 42.501 32.814 16.918 1.00 22.06 C +ATOM 1169 C HIS A 149 41.288 31.884 16.835 1.00 30.26 C +ATOM 1170 O HIS A 149 40.796 31.605 15.730 1.00 38.99 O +ATOM 1171 CB HIS A 149 41.965 34.119 17.559 1.00 21.72 C +ATOM 1172 CG HIS A 149 42.988 35.209 17.725 1.00 22.87 C +ATOM 1173 ND1 HIS A 149 43.675 35.738 16.647 1.00 20.77 N +ATOM 1174 CD2 HIS A 149 43.430 35.854 18.850 1.00 17.72 C +ATOM 1175 CE1 HIS A 149 44.497 36.673 17.132 1.00 18.20 C +ATOM 1176 NE2 HIS A 149 44.373 36.784 18.450 1.00 11.59 N +ATOM 1177 N SER A 150 40.808 31.418 17.993 1.00 21.46 N +ATOM 1178 CA SER A 150 39.627 30.552 18.074 1.00 27.83 C +ATOM 1179 C SER A 150 38.425 31.495 18.117 1.00 26.23 C +ATOM 1180 O SER A 150 38.522 32.618 18.596 1.00 31.41 O +ATOM 1181 CB SER A 150 39.619 29.589 19.253 1.00 29.39 C +ATOM 1182 OG SER A 150 39.589 30.336 20.441 1.00 43.96 O +ATOM 1183 N TYR A 151 37.309 31.062 17.615 1.00 18.03 N +ATOM 1184 CA TYR A 151 36.148 31.892 17.588 1.00 20.15 C +ATOM 1185 C TYR A 151 34.911 31.015 17.678 1.00 26.79 C +ATOM 1186 O TYR A 151 34.950 29.792 17.440 1.00 20.84 O +ATOM 1187 CB TYR A 151 36.171 32.750 16.303 1.00 19.30 C +ATOM 1188 CG TYR A 151 36.404 31.830 15.087 1.00 20.58 C +ATOM 1189 CD1 TYR A 151 37.663 31.274 14.849 1.00 24.15 C +ATOM 1190 CD2 TYR A 151 35.380 31.528 14.189 1.00 11.59 C +ATOM 1191 CE1 TYR A 151 37.905 30.409 13.785 1.00 16.55 C +ATOM 1192 CE2 TYR A 151 35.600 30.667 13.117 1.00 24.49 C +ATOM 1193 CZ TYR A 151 36.862 30.115 12.917 1.00 19.97 C +ATOM 1194 OH TYR A 151 37.086 29.303 11.871 1.00 27.24 O +ATOM 1195 N CYS A 152 33.821 31.671 18.050 1.00 25.15 N +ATOM 1196 CA CYS A 152 32.557 31.018 18.205 1.00 18.00 C +ATOM 1197 C CYS A 152 31.429 31.817 17.600 1.00 12.75 C +ATOM 1198 O CYS A 152 31.279 33.011 17.855 1.00 19.57 O +ATOM 1199 CB CYS A 152 32.235 30.899 19.681 1.00 15.87 C +ATOM 1200 SG CYS A 152 31.209 29.426 19.822 1.00 35.46 S +ATOM 1201 N PHE A 153 30.663 31.161 16.782 1.00 5.26 N +ATOM 1202 CA PHE A 153 29.544 31.792 16.131 1.00 11.22 C +ATOM 1203 C PHE A 153 28.330 31.518 16.960 1.00 18.50 C +ATOM 1204 O PHE A 153 28.021 30.383 17.354 1.00 13.81 O +ATOM 1205 CB PHE A 153 29.220 31.184 14.747 1.00 14.30 C +ATOM 1206 CG PHE A 153 30.323 31.475 13.780 1.00 9.32 C +ATOM 1207 CD1 PHE A 153 30.732 32.796 13.585 1.00 15.03 C +ATOM 1208 CD2 PHE A 153 30.972 30.449 13.094 1.00 2.79 C +ATOM 1209 CE1 PHE A 153 31.772 33.128 12.716 1.00 13.04 C +ATOM 1210 CE2 PHE A 153 32.019 30.785 12.229 1.00 22.21 C +ATOM 1211 CZ PHE A 153 32.428 32.109 12.022 1.00 9.24 C +ATOM 1212 N GLU A 154 27.605 32.553 17.215 1.00 10.17 N +ATOM 1213 CA GLU A 154 26.470 32.271 17.985 1.00 8.70 C +ATOM 1214 C GLU A 154 25.320 33.142 17.486 1.00 11.91 C +ATOM 1215 O GLU A 154 25.579 34.238 17.015 1.00 7.87 O +ATOM 1216 CB GLU A 154 26.796 32.561 19.487 1.00 12.52 C +ATOM 1217 CG GLU A 154 25.593 32.255 20.367 1.00 21.91 C +ATOM 1218 CD GLU A 154 25.750 32.420 21.842 1.00 28.18 C +ATOM 1219 OE1 GLU A 154 26.425 33.501 22.170 1.00 15.06 O +ATOM 1220 OE2 GLU A 154 25.108 31.714 22.625 1.00 35.36 O +ATOM 1221 N ILE A 155 24.101 32.597 17.622 1.00 9.75 N +ATOM 1222 CA ILE A 155 22.865 33.194 17.280 1.00 16.76 C +ATOM 1223 C ILE A 155 21.880 32.948 18.417 1.00 17.70 C +ATOM 1224 O ILE A 155 21.595 31.796 18.800 1.00 18.62 O +ATOM 1225 CB ILE A 155 22.186 32.719 15.997 1.00 17.58 C +ATOM 1226 CG1 ILE A 155 23.112 32.809 14.811 1.00 21.65 C +ATOM 1227 CG2 ILE A 155 20.868 33.557 15.778 1.00 1.00 C +ATOM 1228 CD1 ILE A 155 22.685 31.842 13.710 1.00 19.88 C +ATOM 1229 N LEU A 156 21.372 34.075 18.894 1.00 16.67 N +ATOM 1230 CA LEU A 156 20.415 34.210 19.959 1.00 16.04 C +ATOM 1231 C LEU A 156 19.229 34.954 19.434 1.00 16.85 C +ATOM 1232 O LEU A 156 19.377 35.921 18.665 1.00 17.43 O +ATOM 1233 CB LEU A 156 20.976 35.248 20.933 1.00 8.22 C +ATOM 1234 CG LEU A 156 22.320 34.779 21.356 1.00 14.70 C +ATOM 1235 CD1 LEU A 156 22.992 35.728 22.341 1.00 14.28 C +ATOM 1236 CD2 LEU A 156 21.964 33.561 22.080 1.00 22.36 C +ATOM 1237 N GLU A 157 18.075 34.518 19.879 1.00 8.08 N +ATOM 1238 CA GLU A 157 16.822 35.177 19.479 1.00 17.69 C +ATOM 1239 C GLU A 157 16.142 35.596 20.786 1.00 9.27 C +ATOM 1240 O GLU A 157 16.153 34.881 21.741 1.00 13.53 O +ATOM 1241 CB GLU A 157 15.873 34.284 18.632 1.00 27.75 C +ATOM 1242 CG GLU A 157 16.484 33.724 17.344 1.00 28.76 C +ATOM 1243 CD GLU A 157 15.598 32.648 16.851 1.00 34.76 C +ATOM 1244 OE1 GLU A 157 14.601 32.346 17.460 1.00 33.49 O +ATOM 1245 OE2 GLU A 157 16.127 31.933 15.888 1.00 41.89 O +ATOM 1246 N ARG A 158 15.616 36.769 20.842 1.00 7.63 N +ATOM 1247 CA ARG A 158 14.974 37.354 21.967 1.00 11.00 C +ATOM 1248 C ARG A 158 13.856 36.511 22.487 1.00 15.88 C +ATOM 1249 O ARG A 158 13.111 36.041 21.697 1.00 18.12 O +ATOM 1250 CB ARG A 158 14.460 38.720 21.559 1.00 13.94 C +ATOM 1251 CG ARG A 158 13.945 39.425 22.744 1.00 14.92 C +ATOM 1252 CD ARG A 158 13.520 40.881 22.478 1.00 22.36 C +ATOM 1253 NE ARG A 158 14.571 41.806 22.081 1.00 27.24 N +ATOM 1254 CZ ARG A 158 15.312 42.496 22.922 1.00 26.84 C +ATOM 1255 NH1 ARG A 158 15.162 42.382 24.210 1.00 30.99 N +ATOM 1256 NH2 ARG A 158 16.230 43.324 22.460 1.00 26.38 N +ATOM 1257 N ARG A 159 13.751 36.282 23.829 1.00 31.29 N +ATOM 1258 CA ARG A 159 12.656 35.466 24.387 1.00 39.98 C +ATOM 1259 C ARG A 159 11.543 36.423 24.712 1.00 55.01 C +ATOM 1260 O ARG A 159 11.848 37.263 25.597 1.00 62.64 O +ATOM 1261 CB ARG A 159 12.963 34.722 25.675 1.00 44.06 C +ATOM 1262 CG ARG A 159 14.194 33.822 25.742 1.00 45.43 C +ATOM 1263 CD ARG A 159 14.633 33.657 27.222 1.00 42.53 C +ATOM 1264 NE ARG A 159 15.795 32.771 27.411 1.00 34.53 N +ATOM 1265 CZ ARG A 159 15.659 31.482 27.166 1.00 24.43 C +ATOM 1266 NH1 ARG A 159 14.485 31.015 26.765 1.00 20.35 N +ATOM 1267 NH2 ARG A 159 16.690 30.654 27.313 1.00 24.85 N +ATOM 1268 OXT ARG A 159 10.473 36.363 24.036 1.00 59.87 O +TER 1269 ARG A 159 +END diff --git a/bench/main_benchmark/structures/SFB_AL_EGFR_2GS2A_1XKKA/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_EGFR_2GS2A_1XKKA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6aeee7c3279476467d56ee1f62052ba2259e4afc --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_EGFR_2GS2A_1XKKA/state_a.pdb @@ -0,0 +1,2421 @@ +ATOM 1 N GLY A 672 68.337 7.450 -54.048 1.00 63.86 N +ATOM 2 CA GLY A 672 67.109 7.839 -53.279 1.00 64.42 C +ATOM 3 C GLY A 672 67.339 7.866 -51.776 1.00 64.08 C +ATOM 4 O GLY A 672 67.931 8.812 -51.244 1.00 65.26 O +ATOM 5 N GLU A 673 66.852 6.836 -51.088 1.00 61.83 N +ATOM 6 CA GLU A 673 67.020 6.717 -49.639 1.00 59.44 C +ATOM 7 C GLU A 673 67.546 5.307 -49.335 1.00 57.47 C +ATOM 8 O GLU A 673 67.641 4.464 -50.235 1.00 58.82 O +ATOM 9 CB GLU A 673 65.685 6.949 -48.929 1.00 59.44 C +ATOM 10 N ALA A 674 67.895 5.045 -48.079 1.00 53.37 N +ATOM 11 CA ALA A 674 68.404 3.728 -47.693 1.00 49.50 C +ATOM 12 C ALA A 674 67.262 2.709 -47.553 1.00 46.95 C +ATOM 13 O ALA A 674 66.176 3.044 -47.082 1.00 47.64 O +ATOM 14 CB ALA A 674 69.176 3.832 -46.382 1.00 48.38 C +ATOM 15 N PRO A 675 67.498 1.452 -47.973 1.00 43.73 N +ATOM 16 CA PRO A 675 66.535 0.345 -47.920 1.00 40.91 C +ATOM 17 C PRO A 675 66.248 -0.078 -46.490 1.00 39.41 C +ATOM 18 O PRO A 675 67.149 -0.562 -45.808 1.00 41.10 O +ATOM 19 CB PRO A 675 67.251 -0.775 -48.671 1.00 39.60 C +ATOM 20 CG PRO A 675 68.186 -0.060 -49.557 1.00 40.66 C +ATOM 21 CD PRO A 675 68.715 1.023 -48.677 1.00 42.72 C +ATOM 22 N ASN A 676 65.008 0.091 -46.038 1.00 36.35 N +ATOM 23 CA ASN A 676 64.637 -0.299 -44.681 1.00 34.24 C +ATOM 24 C ASN A 676 64.496 -1.824 -44.599 1.00 34.43 C +ATOM 25 O ASN A 676 63.457 -2.395 -44.922 1.00 34.63 O +ATOM 26 CB ASN A 676 63.330 0.366 -44.290 1.00 33.00 C +ATOM 27 CG ASN A 676 62.963 0.097 -42.866 1.00 33.49 C +ATOM 28 OD1 ASN A 676 63.464 -0.846 -42.254 1.00 34.00 O +ATOM 29 ND2 ASN A 676 62.073 0.914 -42.323 1.00 34.85 N +ATOM 30 N GLN A 677 65.546 -2.484 -44.141 1.00 34.51 N +ATOM 31 CA GLN A 677 65.544 -3.930 -44.084 1.00 34.54 C +ATOM 32 C GLN A 677 65.126 -4.528 -42.759 1.00 34.11 C +ATOM 33 O GLN A 677 65.537 -5.630 -42.407 1.00 34.77 O +ATOM 34 CB GLN A 677 66.923 -4.437 -44.489 1.00 36.82 C +ATOM 35 CG GLN A 677 67.417 -3.818 -45.796 1.00 39.98 C +ATOM 36 CD GLN A 677 68.751 -4.387 -46.255 1.00 41.66 C +ATOM 37 OE1 GLN A 677 68.875 -5.592 -46.500 1.00 42.64 O +ATOM 38 NE2 GLN A 677 69.752 -3.523 -46.380 1.00 40.02 N +ATOM 39 N ALA A 678 64.306 -3.801 -42.018 1.00 33.22 N +ATOM 40 CA ALA A 678 63.821 -4.307 -40.745 1.00 33.42 C +ATOM 41 C ALA A 678 62.974 -5.550 -41.017 1.00 33.51 C +ATOM 42 O ALA A 678 62.498 -5.760 -42.134 1.00 34.54 O +ATOM 43 CB ALA A 678 62.969 -3.241 -40.040 1.00 32.02 C +ATOM 44 N LEU A 679 62.788 -6.370 -39.993 1.00 33.01 N +ATOM 45 CA LEU A 679 61.981 -7.569 -40.114 1.00 33.35 C +ATOM 46 C LEU A 679 60.694 -7.406 -39.327 1.00 34.81 C +ATOM 47 O LEU A 679 60.718 -6.975 -38.179 1.00 37.26 O +ATOM 48 CB LEU A 679 62.751 -8.771 -39.590 1.00 33.31 C +ATOM 49 CG LEU A 679 63.655 -9.486 -40.596 1.00 35.18 C +ATOM 50 CD1 LEU A 679 64.304 -8.494 -41.553 1.00 36.01 C +ATOM 51 CD2 LEU A 679 64.698 -10.277 -39.823 1.00 33.80 C +ATOM 52 N LEU A 680 59.564 -7.723 -39.948 1.00 35.12 N +ATOM 53 CA LEU A 680 58.287 -7.624 -39.260 1.00 35.82 C +ATOM 54 C LEU A 680 57.967 -9.062 -38.901 1.00 37.11 C +ATOM 55 O LEU A 680 57.744 -9.885 -39.783 1.00 37.45 O +ATOM 56 CB LEU A 680 57.204 -7.084 -40.196 1.00 35.19 C +ATOM 57 CG LEU A 680 56.045 -6.240 -39.646 1.00 34.77 C +ATOM 58 CD1 LEU A 680 54.897 -6.334 -40.634 1.00 34.34 C +ATOM 59 CD2 LEU A 680 55.592 -6.705 -38.278 1.00 33.12 C +ATOM 60 N ARG A 681 57.967 -9.379 -37.615 1.00 38.81 N +ATOM 61 CA ARG A 681 57.673 -10.740 -37.207 1.00 40.08 C +ATOM 62 C ARG A 681 56.172 -10.917 -37.021 1.00 39.75 C +ATOM 63 O ARG A 681 55.496 -10.063 -36.453 1.00 40.75 O +ATOM 64 CB ARG A 681 58.420 -11.077 -35.915 1.00 42.67 C +ATOM 65 CG ARG A 681 58.728 -12.560 -35.740 1.00 49.87 C +ATOM 66 CD ARG A 681 59.632 -12.825 -34.526 1.00 56.37 C +ATOM 67 NE ARG A 681 60.060 -14.225 -34.435 1.00 61.88 N +ATOM 68 CZ ARG A 681 60.860 -14.707 -33.484 1.00 66.15 C +ATOM 69 NH1 ARG A 681 61.324 -13.902 -32.535 1.00 67.93 N +ATOM 70 NH2 ARG A 681 61.206 -15.993 -33.477 1.00 67.75 N +ATOM 71 N ILE A 682 55.646 -12.019 -37.532 1.00 39.86 N +ATOM 72 CA ILE A 682 54.232 -12.316 -37.395 1.00 41.60 C +ATOM 73 C ILE A 682 54.150 -13.517 -36.460 1.00 42.60 C +ATOM 74 O ILE A 682 54.686 -14.583 -36.764 1.00 43.20 O +ATOM 75 CB ILE A 682 53.605 -12.622 -38.781 1.00 41.95 C +ATOM 76 CG1 ILE A 682 53.603 -11.343 -39.628 1.00 41.87 C +ATOM 77 CG2 ILE A 682 52.188 -13.151 -38.622 1.00 41.09 C +ATOM 78 CD1 ILE A 682 53.181 -11.551 -41.056 1.00 42.30 C +ATOM 79 N LEU A 683 53.501 -13.328 -35.313 1.00 44.02 N +ATOM 80 CA LEU A 683 53.373 -14.374 -34.299 1.00 45.53 C +ATOM 81 C LEU A 683 52.036 -15.132 -34.306 1.00 48.47 C +ATOM 82 O LEU A 683 51.018 -14.641 -34.812 1.00 48.48 O +ATOM 83 CB LEU A 683 53.598 -13.762 -32.908 1.00 43.59 C +ATOM 84 CG LEU A 683 54.938 -13.125 -32.477 1.00 43.86 C +ATOM 85 CD1 LEU A 683 56.001 -13.310 -33.542 1.00 42.71 C +ATOM 86 CD2 LEU A 683 54.741 -11.646 -32.188 1.00 41.19 C +ATOM 87 N LYS A 684 52.042 -16.337 -33.740 1.00 51.34 N +ATOM 88 CA LYS A 684 50.823 -17.135 -33.665 1.00 53.88 C +ATOM 89 C LYS A 684 50.099 -16.850 -32.371 1.00 55.20 C +ATOM 90 O LYS A 684 50.713 -16.776 -31.310 1.00 55.41 O +ATOM 91 CB LYS A 684 51.118 -18.628 -33.725 1.00 54.24 C +ATOM 92 CG LYS A 684 51.597 -19.121 -35.067 1.00 57.34 C +ATOM 93 CD LYS A 684 51.214 -20.583 -35.273 1.00 61.24 C +ATOM 94 CE LYS A 684 51.475 -21.434 -34.023 1.00 62.85 C +ATOM 95 NZ LYS A 684 52.891 -21.380 -33.561 1.00 63.54 N +ATOM 96 N GLU A 685 48.785 -16.695 -32.475 1.00 58.00 N +ATOM 97 CA GLU A 685 47.921 -16.429 -31.335 1.00 59.08 C +ATOM 98 C GLU A 685 48.182 -17.438 -30.219 1.00 58.65 C +ATOM 99 O GLU A 685 48.105 -17.104 -29.041 1.00 58.38 O +ATOM 100 CB GLU A 685 46.457 -16.515 -31.781 1.00 62.13 C +ATOM 101 CG GLU A 685 45.441 -16.250 -30.687 1.00 67.97 C +ATOM 102 CD GLU A 685 45.384 -14.789 -30.287 1.00 71.90 C +ATOM 103 OE1 GLU A 685 46.462 -14.154 -30.229 1.00 75.44 O +ATOM 104 OE2 GLU A 685 44.271 -14.280 -30.016 1.00 72.59 O +ATOM 105 N THR A 686 48.500 -18.673 -30.596 1.00 58.38 N +ATOM 106 CA THR A 686 48.748 -19.722 -29.615 1.00 58.22 C +ATOM 107 C THR A 686 50.099 -19.638 -28.933 1.00 58.66 C +ATOM 108 O THR A 686 50.473 -20.535 -28.180 1.00 60.13 O +ATOM 109 CB THR A 686 48.613 -21.129 -30.238 1.00 58.85 C +ATOM 110 OG1 THR A 686 49.511 -21.263 -31.349 1.00 58.07 O +ATOM 111 CG2 THR A 686 47.183 -21.365 -30.691 1.00 58.73 C +ATOM 112 N GLU A 687 50.840 -18.570 -29.194 1.00 58.75 N +ATOM 113 CA GLU A 687 52.138 -18.401 -28.561 1.00 58.29 C +ATOM 114 C GLU A 687 52.056 -17.400 -27.415 1.00 58.72 C +ATOM 115 O GLU A 687 53.055 -17.133 -26.756 1.00 58.65 O +ATOM 116 CB GLU A 687 53.174 -17.934 -29.580 1.00 59.36 C +ATOM 117 CG GLU A 687 53.695 -19.031 -30.479 1.00 61.83 C +ATOM 118 CD GLU A 687 54.785 -18.552 -31.432 1.00 65.26 C +ATOM 119 OE1 GLU A 687 55.486 -19.425 -31.998 1.00 66.67 O +ATOM 120 OE2 GLU A 687 54.938 -17.316 -31.622 1.00 64.16 O +ATOM 121 N PHE A 688 50.863 -16.853 -27.179 1.00 59.22 N +ATOM 122 CA PHE A 688 50.659 -15.879 -26.111 1.00 60.68 C +ATOM 123 C PHE A 688 49.739 -16.369 -25.014 1.00 61.51 C +ATOM 124 O PHE A 688 48.876 -17.207 -25.239 1.00 61.98 O +ATOM 125 CB PHE A 688 50.033 -14.591 -26.638 1.00 62.38 C +ATOM 126 CG PHE A 688 50.725 -14.016 -27.813 1.00 64.79 C +ATOM 127 CD1 PHE A 688 50.177 -14.151 -29.080 1.00 65.90 C +ATOM 128 CD2 PHE A 688 51.926 -13.340 -27.660 1.00 66.27 C +ATOM 129 CE1 PHE A 688 50.809 -13.619 -30.184 1.00 68.35 C +ATOM 130 CE2 PHE A 688 52.575 -12.800 -28.757 1.00 69.16 C +ATOM 131 CZ PHE A 688 52.016 -12.941 -30.028 1.00 70.04 C +ATOM 132 N LYS A 689 49.923 -15.801 -23.829 1.00 62.69 N +ATOM 133 CA LYS A 689 49.103 -16.103 -22.672 1.00 63.60 C +ATOM 134 C LYS A 689 48.686 -14.784 -22.044 1.00 63.70 C +ATOM 135 O LYS A 689 49.340 -14.331 -21.110 1.00 64.48 O +ATOM 136 CB LYS A 689 49.877 -16.900 -21.623 1.00 65.53 C +ATOM 137 CG LYS A 689 49.992 -18.383 -21.876 1.00 69.76 C +ATOM 138 CD LYS A 689 50.620 -19.066 -20.663 1.00 72.72 C +ATOM 139 CE LYS A 689 50.885 -20.547 -20.917 1.00 75.38 C +ATOM 140 NZ LYS A 689 51.635 -21.185 -19.793 1.00 75.59 N +ATOM 141 N LYS A 690 47.626 -14.155 -22.555 1.00 63.69 N +ATOM 142 CA LYS A 690 47.155 -12.899 -21.968 1.00 63.04 C +ATOM 143 C LYS A 690 46.900 -13.222 -20.500 1.00 63.04 C +ATOM 144 O LYS A 690 45.990 -13.976 -20.173 1.00 63.91 O +ATOM 145 CB LYS A 690 45.857 -12.425 -22.631 1.00 62.70 C +ATOM 146 CG LYS A 690 45.984 -12.081 -24.112 1.00 63.52 C +ATOM 147 CD LYS A 690 44.708 -11.428 -24.653 1.00 63.53 C +ATOM 148 CE LYS A 690 44.802 -11.109 -26.157 1.00 64.72 C +ATOM 149 NZ LYS A 690 44.761 -12.310 -27.061 1.00 62.95 N +ATOM 150 N ILE A 691 47.721 -12.663 -19.623 1.00 62.81 N +ATOM 151 CA ILE A 691 47.617 -12.922 -18.196 1.00 62.77 C +ATOM 152 C ILE A 691 46.608 -12.020 -17.490 1.00 63.32 C +ATOM 153 O ILE A 691 45.923 -12.451 -16.561 1.00 63.57 O +ATOM 154 CB ILE A 691 49.014 -12.752 -17.506 1.00 63.07 C +ATOM 155 CG1 ILE A 691 50.020 -13.766 -18.066 1.00 62.33 C +ATOM 156 CG2 ILE A 691 48.886 -12.907 -16.003 1.00 63.23 C +ATOM 157 CD1 ILE A 691 49.630 -15.223 -17.878 1.00 61.31 C +ATOM 158 N LYS A 692 46.501 -10.776 -17.943 1.00 63.66 N +ATOM 159 CA LYS A 692 45.612 -9.818 -17.304 1.00 64.13 C +ATOM 160 C LYS A 692 45.443 -8.575 -18.165 1.00 64.36 C +ATOM 161 O LYS A 692 46.335 -8.215 -18.925 1.00 66.08 O +ATOM 162 CB LYS A 692 46.221 -9.434 -15.952 1.00 66.06 C +ATOM 163 CG LYS A 692 45.641 -8.196 -15.298 1.00 69.83 C +ATOM 164 CD LYS A 692 46.419 -7.819 -14.039 1.00 71.42 C +ATOM 165 CE LYS A 692 45.757 -6.646 -13.312 1.00 73.88 C +ATOM 166 NZ LYS A 692 46.510 -6.209 -12.096 1.00 74.31 N +ATOM 167 N VAL A 693 44.303 -7.910 -18.056 1.00 64.30 N +ATOM 168 CA VAL A 693 44.103 -6.701 -18.834 1.00 65.60 C +ATOM 169 C VAL A 693 44.898 -5.577 -18.190 1.00 67.38 C +ATOM 170 O VAL A 693 45.086 -5.562 -16.976 1.00 67.82 O +ATOM 171 CB VAL A 693 42.623 -6.316 -18.893 1.00 66.04 C +ATOM 172 CG1 VAL A 693 42.467 -4.890 -19.420 1.00 65.22 C +ATOM 173 CG2 VAL A 693 41.885 -7.294 -19.797 1.00 66.33 C +ATOM 174 N LEU A 694 45.367 -4.639 -19.007 1.00 68.98 N +ATOM 175 CA LEU A 694 46.156 -3.512 -18.522 1.00 70.19 C +ATOM 176 C LEU A 694 45.480 -2.174 -18.798 1.00 72.29 C +ATOM 177 O LEU A 694 45.447 -1.299 -17.943 1.00 72.82 O +ATOM 178 CB LEU A 694 47.536 -3.533 -19.177 1.00 69.44 C +ATOM 179 CG LEU A 694 48.738 -3.855 -18.289 1.00 69.39 C +ATOM 180 CD1 LEU A 694 48.412 -4.989 -17.336 1.00 69.30 C +ATOM 181 CD2 LEU A 694 49.921 -4.208 -19.172 1.00 68.68 C +ATOM 182 N GLY A 695 44.955 -2.011 -20.003 1.00 74.81 N +ATOM 183 CA GLY A 695 44.288 -0.770 -20.342 1.00 77.70 C +ATOM 184 C GLY A 695 42.986 -1.064 -21.053 1.00 80.39 C +ATOM 185 O GLY A 695 42.656 -2.226 -21.290 1.00 80.43 O +ATOM 186 N SER A 696 42.239 -0.019 -21.392 1.00 82.82 N +ATOM 187 CA SER A 696 40.970 -0.190 -22.090 1.00 85.52 C +ATOM 188 C SER A 696 40.301 1.155 -22.331 1.00 87.33 C +ATOM 189 O SER A 696 40.269 2.011 -21.443 1.00 88.39 O +ATOM 190 CB SER A 696 40.033 -1.092 -21.282 1.00 85.31 C +ATOM 191 OG SER A 696 38.831 -1.340 -21.990 1.00 86.04 O +ATOM 192 N GLY A 697 39.774 1.332 -23.540 1.00 88.78 N +ATOM 193 CA GLY A 697 39.106 2.572 -23.884 1.00 90.08 C +ATOM 194 C GLY A 697 39.554 3.137 -25.218 1.00 90.82 C +ATOM 195 O GLY A 697 39.417 2.475 -26.251 1.00 90.21 O +ATOM 196 N ALA A 698 40.086 4.362 -25.176 1.00 91.33 N +ATOM 197 CA ALA A 698 40.581 5.090 -26.348 1.00 91.37 C +ATOM 198 C ALA A 698 40.511 4.271 -27.638 1.00 91.28 C +ATOM 199 O ALA A 698 39.431 4.092 -28.208 1.00 91.91 O +ATOM 200 CB ALA A 698 42.018 5.565 -26.096 1.00 90.61 C +ATOM 201 N PHE A 699 41.659 3.776 -28.096 1.00 90.44 N +ATOM 202 CA PHE A 699 41.707 2.971 -29.314 1.00 88.73 C +ATOM 203 C PHE A 699 41.133 1.581 -29.041 1.00 87.06 C +ATOM 204 O PHE A 699 40.135 1.179 -29.646 1.00 86.21 O +ATOM 205 CB PHE A 699 43.148 2.858 -29.816 1.00 89.03 C +ATOM 206 N GLY A 700 41.763 0.859 -28.120 1.00 85.18 N +ATOM 207 CA GLY A 700 41.301 -0.477 -27.784 1.00 83.05 C +ATOM 208 C GLY A 700 41.722 -0.925 -26.395 1.00 81.19 C +ATOM 209 O GLY A 700 41.868 -0.102 -25.487 1.00 80.73 O +ATOM 210 N THR A 701 41.921 -2.234 -26.238 1.00 78.57 N +ATOM 211 CA THR A 701 42.323 -2.829 -24.963 1.00 75.64 C +ATOM 212 C THR A 701 43.738 -3.436 -24.969 1.00 73.79 C +ATOM 213 O THR A 701 44.088 -4.209 -25.865 1.00 74.28 O +ATOM 214 CB THR A 701 41.339 -3.933 -24.556 1.00 75.52 C +ATOM 215 OG1 THR A 701 41.932 -4.757 -23.541 1.00 74.89 O +ATOM 216 CG2 THR A 701 40.981 -4.786 -25.767 1.00 75.47 C +ATOM 217 N VAL A 702 44.534 -3.094 -23.954 1.00 70.02 N +ATOM 218 CA VAL A 702 45.906 -3.591 -23.814 1.00 65.23 C +ATOM 219 C VAL A 702 46.009 -4.697 -22.769 1.00 63.43 C +ATOM 220 O VAL A 702 45.439 -4.591 -21.689 1.00 63.75 O +ATOM 221 CB VAL A 702 46.865 -2.466 -23.398 1.00 63.79 C +ATOM 222 CG1 VAL A 702 48.232 -3.045 -23.086 1.00 62.51 C +ATOM 223 CG2 VAL A 702 46.964 -1.436 -24.507 1.00 62.42 C +ATOM 224 N TYR A 703 46.752 -5.751 -23.081 1.00 60.89 N +ATOM 225 CA TYR A 703 46.892 -6.856 -22.143 1.00 59.48 C +ATOM 226 C TYR A 703 48.321 -7.115 -21.700 1.00 56.85 C +ATOM 227 O TYR A 703 49.275 -6.855 -22.434 1.00 56.09 O +ATOM 228 CB TYR A 703 46.367 -8.157 -22.752 1.00 63.00 C +ATOM 229 CG TYR A 703 44.891 -8.184 -23.031 1.00 68.26 C +ATOM 230 CD1 TYR A 703 44.312 -7.297 -23.942 1.00 71.13 C +ATOM 231 CD2 TYR A 703 44.066 -9.109 -22.396 1.00 70.22 C +ATOM 232 CE1 TYR A 703 42.944 -7.333 -24.210 1.00 72.48 C +ATOM 233 CE2 TYR A 703 42.698 -9.154 -22.657 1.00 72.11 C +ATOM 234 CZ TYR A 703 42.145 -8.264 -23.562 1.00 72.82 C +ATOM 235 OH TYR A 703 40.795 -8.301 -23.805 1.00 74.37 O +ATOM 236 N LYS A 704 48.451 -7.625 -20.482 1.00 52.53 N +ATOM 237 CA LYS A 704 49.742 -8.010 -19.955 1.00 48.99 C +ATOM 238 C LYS A 704 49.749 -9.508 -20.240 1.00 45.39 C +ATOM 239 O LYS A 704 48.734 -10.171 -20.054 1.00 44.12 O +ATOM 240 CB LYS A 704 49.823 -7.774 -18.443 1.00 51.23 C +ATOM 241 CG LYS A 704 50.881 -8.655 -17.749 1.00 54.63 C +ATOM 242 CD LYS A 704 51.010 -8.380 -16.255 1.00 56.65 C +ATOM 243 CE LYS A 704 49.712 -8.662 -15.504 1.00 58.91 C +ATOM 244 NZ LYS A 704 49.818 -8.304 -14.056 1.00 59.55 N +ATOM 245 N GLY A 705 50.872 -10.042 -20.704 1.00 41.71 N +ATOM 246 CA GLY A 705 50.924 -11.462 -20.985 1.00 37.31 C +ATOM 247 C GLY A 705 52.320 -11.997 -21.173 1.00 35.66 C +ATOM 248 O GLY A 705 53.302 -11.308 -20.924 1.00 35.31 O +ATOM 249 N LEU A 706 52.403 -13.240 -21.626 1.00 35.08 N +ATOM 250 CA LEU A 706 53.679 -13.891 -21.856 1.00 34.49 C +ATOM 251 C LEU A 706 53.765 -14.436 -23.263 1.00 35.14 C +ATOM 252 O LEU A 706 52.787 -14.954 -23.791 1.00 34.54 O +ATOM 253 CB LEU A 706 53.857 -15.046 -20.878 1.00 35.30 C +ATOM 254 CG LEU A 706 54.152 -14.649 -19.439 1.00 36.38 C +ATOM 255 CD1 LEU A 706 53.817 -15.786 -18.509 1.00 34.71 C +ATOM 256 CD2 LEU A 706 55.615 -14.255 -19.331 1.00 37.10 C +ATOM 257 N TRP A 707 54.940 -14.314 -23.866 1.00 36.32 N +ATOM 258 CA TRP A 707 55.174 -14.837 -25.199 1.00 37.74 C +ATOM 259 C TRP A 707 56.095 -16.036 -25.044 1.00 39.69 C +ATOM 260 O TRP A 707 57.236 -15.913 -24.616 1.00 38.01 O +ATOM 261 CB TRP A 707 55.822 -13.788 -26.096 1.00 38.14 C +ATOM 262 CG TRP A 707 56.163 -14.318 -27.445 1.00 37.51 C +ATOM 263 CD1 TRP A 707 55.437 -15.203 -28.178 1.00 37.97 C +ATOM 264 CD2 TRP A 707 57.302 -13.978 -28.236 1.00 37.64 C +ATOM 265 NE1 TRP A 707 56.052 -15.439 -29.382 1.00 39.55 N +ATOM 266 CE2 TRP A 707 57.202 -14.699 -29.444 1.00 38.49 C +ATOM 267 CE3 TRP A 707 58.398 -13.133 -28.044 1.00 39.76 C +ATOM 268 CZ2 TRP A 707 58.157 -14.605 -30.458 1.00 38.66 C +ATOM 269 CZ3 TRP A 707 59.350 -13.036 -29.053 1.00 40.31 C +ATOM 270 CH2 TRP A 707 59.221 -13.772 -30.247 1.00 39.59 C +ATOM 271 N ILE A 708 55.583 -17.205 -25.398 1.00 44.09 N +ATOM 272 CA ILE A 708 56.340 -18.433 -25.262 1.00 46.91 C +ATOM 273 C ILE A 708 56.575 -19.055 -26.625 1.00 50.33 C +ATOM 274 O ILE A 708 55.832 -19.934 -27.041 1.00 51.57 O +ATOM 275 CB ILE A 708 55.571 -19.434 -24.354 1.00 45.17 C +ATOM 276 CG1 ILE A 708 55.037 -18.698 -23.117 1.00 43.98 C +ATOM 277 CG2 ILE A 708 56.485 -20.564 -23.923 1.00 43.32 C +ATOM 278 CD1 ILE A 708 54.044 -19.474 -22.286 1.00 41.68 C +ATOM 279 N PRO A 709 57.600 -18.585 -27.353 1.00 54.37 N +ATOM 280 CA PRO A 709 57.902 -19.135 -28.677 1.00 57.64 C +ATOM 281 C PRO A 709 57.960 -20.657 -28.567 1.00 62.01 C +ATOM 282 O PRO A 709 58.514 -21.186 -27.602 1.00 62.34 O +ATOM 283 CB PRO A 709 59.263 -18.532 -28.990 1.00 57.11 C +ATOM 284 CG PRO A 709 59.184 -17.193 -28.345 1.00 56.36 C +ATOM 285 CD PRO A 709 58.543 -17.508 -27.007 1.00 55.81 C +ATOM 286 N GLU A 710 57.385 -21.352 -29.547 1.00 66.58 N +ATOM 287 CA GLU A 710 57.357 -22.812 -29.541 1.00 70.57 C +ATOM 288 C GLU A 710 58.736 -23.457 -29.508 1.00 71.57 C +ATOM 289 O GLU A 710 59.623 -23.115 -30.301 1.00 70.99 O +ATOM 290 CB GLU A 710 56.576 -23.337 -30.749 1.00 74.58 C +ATOM 291 CG GLU A 710 55.078 -23.042 -30.694 1.00 80.96 C +ATOM 292 CD GLU A 710 54.259 -23.974 -31.581 1.00 83.73 C +ATOM 293 OE1 GLU A 710 54.514 -24.007 -32.808 1.00 84.96 O +ATOM 294 OE2 GLU A 710 53.363 -24.673 -31.048 1.00 84.83 O +ATOM 295 N GLY A 711 58.902 -24.397 -28.580 1.00 72.00 N +ATOM 296 CA GLY A 711 60.169 -25.091 -28.434 1.00 73.28 C +ATOM 297 C GLY A 711 61.089 -24.450 -27.411 1.00 74.23 C +ATOM 298 O GLY A 711 61.046 -24.794 -26.230 1.00 74.55 O +ATOM 299 N GLU A 712 61.923 -23.520 -27.872 1.00 74.40 N +ATOM 300 CA GLU A 712 62.880 -22.803 -27.024 1.00 73.88 C +ATOM 301 C GLU A 712 62.311 -22.430 -25.661 1.00 71.80 C +ATOM 302 O GLU A 712 61.351 -21.664 -25.568 1.00 72.58 O +ATOM 303 CB GLU A 712 63.342 -21.548 -27.746 1.00 75.22 C +ATOM 304 CG GLU A 712 62.203 -20.703 -28.234 1.00 77.02 C +ATOM 305 CD GLU A 712 62.590 -19.902 -29.443 1.00 79.78 C +ATOM 306 OE1 GLU A 712 63.644 -19.232 -29.396 1.00 81.20 O +ATOM 307 OE2 GLU A 712 61.843 -19.945 -30.442 1.00 81.82 O +ATOM 308 N LYS A 713 62.929 -22.958 -24.608 1.00 68.70 N +ATOM 309 CA LYS A 713 62.462 -22.725 -23.247 1.00 66.31 C +ATOM 310 C LYS A 713 62.681 -21.302 -22.762 1.00 62.75 C +ATOM 311 O LYS A 713 63.566 -21.037 -21.954 1.00 63.34 O +ATOM 312 CB LYS A 713 63.131 -23.714 -22.286 1.00 68.66 C +ATOM 313 CG LYS A 713 63.318 -25.107 -22.878 1.00 72.92 C +ATOM 314 CD LYS A 713 62.009 -25.644 -23.467 1.00 76.61 C +ATOM 315 CE LYS A 713 62.231 -26.869 -24.359 1.00 76.57 C +ATOM 316 NZ LYS A 713 60.961 -27.287 -25.022 1.00 76.44 N +ATOM 317 N VAL A 714 61.856 -20.389 -23.256 1.00 57.98 N +ATOM 318 CA VAL A 714 61.944 -18.995 -22.864 1.00 53.08 C +ATOM 319 C VAL A 714 60.522 -18.433 -22.753 1.00 49.25 C +ATOM 320 O VAL A 714 59.632 -18.825 -23.507 1.00 48.72 O +ATOM 321 CB VAL A 714 62.769 -18.190 -23.903 1.00 53.03 C +ATOM 322 CG1 VAL A 714 61.948 -17.953 -25.159 1.00 54.74 C +ATOM 323 CG2 VAL A 714 63.229 -16.884 -23.310 1.00 55.07 C +ATOM 324 N LYS A 715 60.305 -17.550 -21.784 1.00 45.10 N +ATOM 325 CA LYS A 715 59.004 -16.920 -21.581 1.00 42.16 C +ATOM 326 C LYS A 715 59.239 -15.418 -21.583 1.00 39.92 C +ATOM 327 O LYS A 715 60.003 -14.909 -20.767 1.00 40.97 O +ATOM 328 CB LYS A 715 58.401 -17.348 -20.247 1.00 44.25 C +ATOM 329 CG LYS A 715 58.082 -18.831 -20.153 1.00 46.34 C +ATOM 330 CD LYS A 715 57.141 -19.107 -18.997 1.00 47.42 C +ATOM 331 CE LYS A 715 56.753 -20.571 -18.946 1.00 49.85 C +ATOM 332 NZ LYS A 715 55.768 -20.831 -17.855 1.00 52.26 N +ATOM 333 N ILE A 716 58.573 -14.701 -22.480 1.00 36.52 N +ATOM 334 CA ILE A 716 58.788 -13.265 -22.593 1.00 33.94 C +ATOM 335 C ILE A 716 57.608 -12.377 -22.221 1.00 31.63 C +ATOM 336 O ILE A 716 56.573 -12.387 -22.873 1.00 30.81 O +ATOM 337 CB ILE A 716 59.268 -12.933 -24.024 1.00 34.26 C +ATOM 338 CG1 ILE A 716 60.449 -13.842 -24.370 1.00 34.24 C +ATOM 339 CG2 ILE A 716 59.682 -11.480 -24.129 1.00 33.04 C +ATOM 340 CD1 ILE A 716 60.969 -13.687 -25.768 1.00 37.95 C +ATOM 341 N PRO A 717 57.767 -11.579 -21.158 1.00 31.35 N +ATOM 342 CA PRO A 717 56.727 -10.666 -20.672 1.00 30.61 C +ATOM 343 C PRO A 717 56.418 -9.654 -21.759 1.00 31.56 C +ATOM 344 O PRO A 717 57.318 -8.963 -22.232 1.00 33.53 O +ATOM 345 CB PRO A 717 57.380 -10.007 -19.457 1.00 29.19 C +ATOM 346 CG PRO A 717 58.419 -10.990 -19.033 1.00 30.71 C +ATOM 347 CD PRO A 717 58.986 -11.454 -20.345 1.00 30.86 C +ATOM 348 N VAL A 718 55.154 -9.554 -22.156 1.00 32.14 N +ATOM 349 CA VAL A 718 54.788 -8.623 -23.221 1.00 31.94 C +ATOM 350 C VAL A 718 53.509 -7.856 -22.965 1.00 33.24 C +ATOM 351 O VAL A 718 52.732 -8.187 -22.078 1.00 34.24 O +ATOM 352 CB VAL A 718 54.596 -9.356 -24.557 1.00 29.11 C +ATOM 353 CG1 VAL A 718 55.876 -10.000 -24.987 1.00 29.29 C +ATOM 354 CG2 VAL A 718 53.519 -10.400 -24.417 1.00 26.69 C +ATOM 355 N ALA A 719 53.304 -6.820 -23.763 1.00 35.48 N +ATOM 356 CA ALA A 719 52.103 -6.008 -23.689 1.00 38.28 C +ATOM 357 C ALA A 719 51.409 -6.249 -25.022 1.00 40.79 C +ATOM 358 O ALA A 719 51.944 -5.915 -26.084 1.00 40.99 O +ATOM 359 CB ALA A 719 52.456 -4.546 -23.533 1.00 37.88 C +ATOM 360 N ILE A 720 50.229 -6.853 -24.963 1.00 43.27 N +ATOM 361 CA ILE A 720 49.467 -7.161 -26.160 1.00 44.86 C +ATOM 362 C ILE A 720 48.356 -6.139 -26.380 1.00 48.65 C +ATOM 363 O ILE A 720 47.400 -6.069 -25.605 1.00 49.94 O +ATOM 364 CB ILE A 720 48.855 -8.552 -26.045 1.00 42.70 C +ATOM 365 CG1 ILE A 720 49.931 -9.540 -25.618 1.00 42.33 C +ATOM 366 CG2 ILE A 720 48.280 -8.980 -27.373 1.00 43.01 C +ATOM 367 CD1 ILE A 720 49.392 -10.894 -25.245 1.00 44.09 C +ATOM 368 N LYS A 721 48.494 -5.338 -27.431 1.00 51.69 N +ATOM 369 CA LYS A 721 47.501 -4.329 -27.766 1.00 55.51 C +ATOM 370 C LYS A 721 46.586 -4.909 -28.846 1.00 58.63 C +ATOM 371 O LYS A 721 47.023 -5.161 -29.968 1.00 58.26 O +ATOM 372 CB LYS A 721 48.201 -3.072 -28.279 1.00 55.74 C +ATOM 373 CG LYS A 721 47.288 -1.890 -28.573 1.00 55.90 C +ATOM 374 CD LYS A 721 48.121 -0.708 -29.037 1.00 56.58 C +ATOM 375 CE LYS A 721 47.273 0.509 -29.333 1.00 59.29 C +ATOM 376 NZ LYS A 721 48.102 1.634 -29.871 1.00 61.67 N +ATOM 377 N GLU A 722 45.320 -5.131 -28.500 1.00 62.84 N +ATOM 378 CA GLU A 722 44.352 -5.701 -29.440 1.00 66.53 C +ATOM 379 C GLU A 722 43.237 -4.728 -29.825 1.00 66.64 C +ATOM 380 O GLU A 722 42.933 -4.558 -31.011 1.00 67.43 O +ATOM 381 CB GLU A 722 43.747 -6.980 -28.847 1.00 68.38 C +ATOM 382 CG GLU A 722 42.656 -7.617 -29.699 1.00 71.93 C +ATOM 383 CD GLU A 722 42.184 -8.949 -29.136 1.00 74.36 C +ATOM 384 OE1 GLU A 722 41.936 -9.018 -27.912 1.00 75.53 O +ATOM 385 OE2 GLU A 722 42.054 -9.924 -29.914 1.00 74.92 O +ATOM 386 N ALA A 726 37.069 -4.432 -32.067 1.00 92.20 N +ATOM 387 CA ALA A 726 36.379 -4.273 -33.348 1.00 93.16 C +ATOM 388 C ALA A 726 37.375 -4.171 -34.502 1.00 93.17 C +ATOM 389 O ALA A 726 38.577 -4.029 -34.284 1.00 93.26 O +ATOM 390 CB ALA A 726 35.488 -3.033 -33.315 1.00 93.03 C +ATOM 391 N THR A 727 36.872 -4.242 -35.732 1.00 93.07 N +ATOM 392 CA THR A 727 37.734 -4.171 -36.908 1.00 91.87 C +ATOM 393 C THR A 727 37.242 -3.152 -37.933 1.00 91.24 C +ATOM 394 O THR A 727 36.314 -3.417 -38.704 1.00 90.53 O +ATOM 395 CB THR A 727 37.856 -5.555 -37.593 1.00 91.60 C +ATOM 396 OG1 THR A 727 38.370 -6.514 -36.655 1.00 91.27 O +ATOM 397 CG2 THR A 727 38.790 -5.478 -38.789 1.00 90.59 C +ATOM 398 N SER A 728 37.875 -1.984 -37.927 1.00 90.47 N +ATOM 399 CA SER A 728 37.530 -0.906 -38.844 1.00 89.72 C +ATOM 400 C SER A 728 38.729 -0.539 -39.704 1.00 89.60 C +ATOM 401 O SER A 728 39.791 -0.200 -39.182 1.00 89.58 O +ATOM 402 CB SER A 728 37.084 0.329 -38.067 1.00 89.08 C +ATOM 403 OG SER A 728 37.001 1.448 -38.927 1.00 89.32 O +ATOM 404 N PRO A 729 38.574 -0.596 -41.039 1.00 89.56 N +ATOM 405 CA PRO A 729 39.660 -0.263 -41.966 1.00 88.78 C +ATOM 406 C PRO A 729 40.460 0.974 -41.543 1.00 87.81 C +ATOM 407 O PRO A 729 41.656 1.079 -41.817 1.00 87.68 O +ATOM 408 CB PRO A 729 38.923 -0.077 -43.287 1.00 88.38 C +ATOM 409 CG PRO A 729 37.874 -1.139 -43.200 1.00 87.81 C +ATOM 410 CD PRO A 729 37.354 -0.964 -41.782 1.00 88.89 C +ATOM 411 N LYS A 730 39.798 1.905 -40.869 1.00 86.78 N +ATOM 412 CA LYS A 730 40.477 3.107 -40.409 1.00 86.28 C +ATOM 413 C LYS A 730 41.478 2.711 -39.327 1.00 85.26 C +ATOM 414 O LYS A 730 42.626 3.153 -39.333 1.00 84.73 O +ATOM 415 CB LYS A 730 39.464 4.108 -39.836 1.00 86.83 C +ATOM 416 CG LYS A 730 40.051 5.481 -39.528 1.00 86.70 C +ATOM 417 CD LYS A 730 40.590 6.148 -40.791 1.00 87.57 C +ATOM 418 CE LYS A 730 41.231 7.498 -40.493 1.00 88.58 C +ATOM 419 NZ LYS A 730 40.264 8.489 -39.934 1.00 89.22 N +ATOM 420 N ALA A 731 41.026 1.863 -38.407 1.00 84.32 N +ATOM 421 CA ALA A 731 41.847 1.390 -37.295 1.00 82.88 C +ATOM 422 C ALA A 731 43.069 0.605 -37.750 1.00 82.03 C +ATOM 423 O ALA A 731 44.199 1.077 -37.616 1.00 82.33 O +ATOM 424 CB ALA A 731 41.005 0.536 -36.358 1.00 82.61 C +ATOM 425 N ASN A 732 42.838 -0.596 -38.276 1.00 80.26 N +ATOM 426 CA ASN A 732 43.915 -1.458 -38.759 1.00 78.81 C +ATOM 427 C ASN A 732 44.988 -0.674 -39.512 1.00 77.72 C +ATOM 428 O ASN A 732 46.183 -0.814 -39.251 1.00 77.15 O +ATOM 429 CB ASN A 732 43.338 -2.530 -39.679 1.00 79.39 C +ATOM 430 CG ASN A 732 42.294 -3.381 -38.994 1.00 80.50 C +ATOM 431 OD1 ASN A 732 42.617 -4.268 -38.202 1.00 81.32 O +ATOM 432 ND2 ASN A 732 41.027 -3.107 -39.285 1.00 81.47 N +ATOM 433 N LYS A 733 44.550 0.154 -40.451 1.00 76.89 N +ATOM 434 CA LYS A 733 45.460 0.962 -41.249 1.00 75.40 C +ATOM 435 C LYS A 733 46.475 1.680 -40.361 1.00 73.73 C +ATOM 436 O LYS A 733 47.671 1.648 -40.630 1.00 73.45 O +ATOM 437 CB LYS A 733 44.656 1.977 -42.070 1.00 76.65 C +ATOM 438 CG LYS A 733 45.412 2.617 -43.227 1.00 78.25 C +ATOM 439 CD LYS A 733 46.390 3.692 -42.764 1.00 79.59 C +ATOM 440 CE LYS A 733 47.099 4.333 -43.953 1.00 79.55 C +ATOM 441 NZ LYS A 733 47.960 5.473 -43.553 1.00 79.20 N +ATOM 442 N GLU A 734 45.994 2.308 -39.293 1.00 72.50 N +ATOM 443 CA GLU A 734 46.857 3.043 -38.375 1.00 71.22 C +ATOM 444 C GLU A 734 47.772 2.171 -37.518 1.00 68.83 C +ATOM 445 O GLU A 734 48.958 2.471 -37.367 1.00 68.64 O +ATOM 446 CB GLU A 734 46.013 3.942 -37.462 1.00 74.02 C +ATOM 447 CG GLU A 734 45.277 5.067 -38.196 1.00 78.25 C +ATOM 448 CD GLU A 734 44.485 5.981 -37.261 1.00 80.54 C +ATOM 449 OE1 GLU A 734 43.790 6.892 -37.772 1.00 81.32 O +ATOM 450 OE2 GLU A 734 44.560 5.792 -36.022 1.00 81.25 O +ATOM 451 N ILE A 735 47.234 1.096 -36.954 1.00 65.48 N +ATOM 452 CA ILE A 735 48.049 0.234 -36.115 1.00 62.73 C +ATOM 453 C ILE A 735 49.201 -0.394 -36.895 1.00 61.28 C +ATOM 454 O ILE A 735 50.299 -0.552 -36.359 1.00 60.87 O +ATOM 455 CB ILE A 735 47.209 -0.878 -35.452 1.00 63.22 C +ATOM 456 CG1 ILE A 735 48.082 -1.680 -34.485 1.00 63.79 C +ATOM 457 CG2 ILE A 735 46.634 -1.798 -36.502 1.00 63.82 C +ATOM 458 CD1 ILE A 735 48.725 -0.840 -33.392 1.00 65.00 C +ATOM 459 N LEU A 736 48.963 -0.751 -38.156 1.00 58.68 N +ATOM 460 CA LEU A 736 50.025 -1.339 -38.967 1.00 57.11 C +ATOM 461 C LEU A 736 51.141 -0.318 -39.195 1.00 57.33 C +ATOM 462 O LEU A 736 52.318 -0.675 -39.272 1.00 57.40 O +ATOM 463 CB LEU A 736 49.479 -1.834 -40.312 1.00 55.58 C +ATOM 464 CG LEU A 736 48.845 -3.231 -40.377 1.00 53.66 C +ATOM 465 CD1 LEU A 736 49.842 -4.274 -39.931 1.00 53.23 C +ATOM 466 CD2 LEU A 736 47.628 -3.289 -39.498 1.00 54.65 C +ATOM 467 N ASP A 737 50.772 0.955 -39.296 1.00 57.58 N +ATOM 468 CA ASP A 737 51.757 2.012 -39.490 1.00 58.22 C +ATOM 469 C ASP A 737 52.657 2.133 -38.273 1.00 56.78 C +ATOM 470 O ASP A 737 53.864 2.354 -38.392 1.00 56.48 O +ATOM 471 CB ASP A 737 51.065 3.345 -39.742 1.00 61.01 C +ATOM 472 CG ASP A 737 50.377 3.387 -41.086 1.00 66.02 C +ATOM 473 OD1 ASP A 737 51.075 3.243 -42.114 1.00 68.05 O +ATOM 474 OD2 ASP A 737 49.138 3.558 -41.117 1.00 69.47 O +ATOM 475 N GLU A 738 52.063 1.992 -37.098 1.00 54.74 N +ATOM 476 CA GLU A 738 52.823 2.080 -35.868 1.00 53.05 C +ATOM 477 C GLU A 738 53.835 0.943 -35.905 1.00 50.11 C +ATOM 478 O GLU A 738 54.997 1.112 -35.532 1.00 48.99 O +ATOM 479 CB GLU A 738 51.891 1.912 -34.668 1.00 56.75 C +ATOM 480 CG GLU A 738 52.237 2.779 -33.470 1.00 60.26 C +ATOM 481 CD GLU A 738 51.535 2.316 -32.210 1.00 63.30 C +ATOM 482 OE1 GLU A 738 50.304 2.085 -32.267 1.00 63.87 O +ATOM 483 OE2 GLU A 738 52.215 2.187 -31.163 1.00 65.08 O +ATOM 484 N ALA A 739 53.370 -0.214 -36.375 1.00 46.65 N +ATOM 485 CA ALA A 739 54.193 -1.410 -36.480 1.00 42.80 C +ATOM 486 C ALA A 739 55.351 -1.170 -37.437 1.00 41.41 C +ATOM 487 O ALA A 739 56.485 -1.563 -37.159 1.00 41.46 O +ATOM 488 CB ALA A 739 53.348 -2.576 -36.956 1.00 41.69 C +ATOM 489 N TYR A 740 55.065 -0.531 -38.568 1.00 39.10 N +ATOM 490 CA TYR A 740 56.110 -0.226 -39.534 1.00 37.82 C +ATOM 491 C TYR A 740 57.223 0.527 -38.809 1.00 37.19 C +ATOM 492 O TYR A 740 58.394 0.158 -38.891 1.00 35.33 O +ATOM 493 CB TYR A 740 55.552 0.626 -40.695 1.00 37.61 C +ATOM 494 CG TYR A 740 56.616 1.129 -41.657 1.00 38.54 C +ATOM 495 CD1 TYR A 740 57.172 2.396 -41.506 1.00 40.61 C +ATOM 496 CD2 TYR A 740 57.144 0.298 -42.649 1.00 39.43 C +ATOM 497 CE1 TYR A 740 58.236 2.824 -42.305 1.00 41.73 C +ATOM 498 CE2 TYR A 740 58.207 0.711 -43.451 1.00 40.83 C +ATOM 499 CZ TYR A 740 58.758 1.979 -43.271 1.00 42.98 C +ATOM 500 OH TYR A 740 59.860 2.387 -44.012 1.00 42.83 O +ATOM 501 N VAL A 741 56.840 1.569 -38.075 1.00 38.13 N +ATOM 502 CA VAL A 741 57.800 2.383 -37.338 1.00 39.15 C +ATOM 503 C VAL A 741 58.514 1.632 -36.215 1.00 39.20 C +ATOM 504 O VAL A 741 59.743 1.630 -36.148 1.00 39.90 O +ATOM 505 CB VAL A 741 57.129 3.627 -36.714 1.00 39.54 C +ATOM 506 CG1 VAL A 741 58.189 4.497 -36.051 1.00 39.68 C +ATOM 507 CG2 VAL A 741 56.394 4.417 -37.774 1.00 38.68 C +ATOM 508 N MET A 742 57.753 1.002 -35.328 1.00 39.04 N +ATOM 509 CA MET A 742 58.365 0.287 -34.220 1.00 40.33 C +ATOM 510 C MET A 742 59.330 -0.773 -34.695 1.00 40.44 C +ATOM 511 O MET A 742 60.404 -0.946 -34.122 1.00 42.25 O +ATOM 512 CB MET A 742 57.302 -0.345 -33.324 1.00 43.54 C +ATOM 513 CG MET A 742 56.468 0.667 -32.550 1.00 48.34 C +ATOM 514 SD MET A 742 55.387 -0.114 -31.319 1.00 55.45 S +ATOM 515 CE MET A 742 56.551 -0.261 -29.928 1.00 52.72 C +ATOM 516 N ALA A 743 58.961 -1.481 -35.753 1.00 39.56 N +ATOM 517 CA ALA A 743 59.829 -2.527 -36.277 1.00 38.22 C +ATOM 518 C ALA A 743 61.100 -1.945 -36.886 1.00 36.97 C +ATOM 519 O ALA A 743 62.108 -2.632 -37.039 1.00 37.31 O +ATOM 520 CB ALA A 743 59.077 -3.350 -37.314 1.00 35.95 C +ATOM 521 N SER A 744 61.060 -0.666 -37.214 1.00 37.65 N +ATOM 522 CA SER A 744 62.209 -0.031 -37.841 1.00 39.79 C +ATOM 523 C SER A 744 63.216 0.546 -36.857 1.00 39.53 C +ATOM 524 O SER A 744 64.325 0.902 -37.241 1.00 40.21 O +ATOM 525 CB SER A 744 61.725 1.068 -38.789 1.00 40.17 C +ATOM 526 OG SER A 744 60.667 0.586 -39.601 1.00 39.52 O +ATOM 527 N VAL A 745 62.834 0.638 -35.590 1.00 39.16 N +ATOM 528 CA VAL A 745 63.731 1.192 -34.585 1.00 37.82 C +ATOM 529 C VAL A 745 64.442 0.127 -33.765 1.00 37.06 C +ATOM 530 O VAL A 745 63.924 -0.965 -33.559 1.00 37.33 O +ATOM 531 CB VAL A 745 62.968 2.130 -33.640 1.00 38.20 C +ATOM 532 CG1 VAL A 745 62.479 3.349 -34.418 1.00 36.29 C +ATOM 533 CG2 VAL A 745 61.790 1.394 -33.015 1.00 36.05 C +ATOM 534 N ASP A 746 65.644 0.447 -33.306 1.00 36.67 N +ATOM 535 CA ASP A 746 66.415 -0.486 -32.505 1.00 35.26 C +ATOM 536 C ASP A 746 67.430 0.243 -31.639 1.00 33.88 C +ATOM 537 O ASP A 746 68.588 0.415 -32.014 1.00 34.42 O +ATOM 538 CB ASP A 746 67.117 -1.492 -33.405 1.00 38.38 C +ATOM 539 CG ASP A 746 67.963 -2.465 -32.627 1.00 42.79 C +ATOM 540 OD1 ASP A 746 67.508 -2.905 -31.549 1.00 46.02 O +ATOM 541 OD2 ASP A 746 69.078 -2.797 -33.090 1.00 47.51 O +ATOM 542 N ASN A 747 66.981 0.658 -30.463 1.00 31.13 N +ATOM 543 CA ASN A 747 67.823 1.388 -29.540 1.00 28.84 C +ATOM 544 C ASN A 747 67.376 1.088 -28.120 1.00 27.36 C +ATOM 545 O ASN A 747 66.192 0.880 -27.866 1.00 28.66 O +ATOM 546 CB ASN A 747 67.696 2.876 -29.834 1.00 29.39 C +ATOM 547 CG ASN A 747 68.613 3.709 -28.994 1.00 30.17 C +ATOM 548 OD1 ASN A 747 68.294 4.054 -27.859 1.00 29.80 O +ATOM 549 ND2 ASN A 747 69.777 4.030 -29.541 1.00 31.30 N +ATOM 550 N PRO A 748 68.317 1.072 -27.170 1.00 25.71 N +ATOM 551 CA PRO A 748 67.990 0.789 -25.772 1.00 25.29 C +ATOM 552 C PRO A 748 66.986 1.741 -25.133 1.00 27.13 C +ATOM 553 O PRO A 748 66.446 1.455 -24.066 1.00 27.09 O +ATOM 554 CB PRO A 748 69.349 0.847 -25.086 1.00 23.58 C +ATOM 555 CG PRO A 748 70.298 0.422 -26.174 1.00 22.61 C +ATOM 556 CD PRO A 748 69.774 1.192 -27.351 1.00 24.33 C +ATOM 557 N HIS A 749 66.713 2.861 -25.785 1.00 28.83 N +ATOM 558 CA HIS A 749 65.796 3.825 -25.208 1.00 32.16 C +ATOM 559 C HIS A 749 64.571 4.108 -26.049 1.00 34.74 C +ATOM 560 O HIS A 749 63.981 5.197 -25.982 1.00 35.07 O +ATOM 561 CB HIS A 749 66.560 5.106 -24.896 1.00 31.95 C +ATOM 562 CG HIS A 749 67.727 4.877 -23.992 1.00 34.34 C +ATOM 563 ND1 HIS A 749 67.582 4.425 -22.696 1.00 35.21 N +ATOM 564 CD2 HIS A 749 69.059 4.945 -24.220 1.00 33.22 C +ATOM 565 CE1 HIS A 749 68.775 4.223 -22.168 1.00 34.23 C +ATOM 566 NE2 HIS A 749 69.688 4.530 -23.073 1.00 33.86 N +ATOM 567 N VAL A 750 64.186 3.106 -26.828 1.00 36.51 N +ATOM 568 CA VAL A 750 63.020 3.192 -27.693 1.00 38.84 C +ATOM 569 C VAL A 750 62.372 1.836 -27.565 1.00 39.93 C +ATOM 570 O VAL A 750 63.060 0.822 -27.621 1.00 41.25 O +ATOM 571 CB VAL A 750 63.429 3.455 -29.161 1.00 38.21 C +ATOM 572 CG1 VAL A 750 62.222 3.365 -30.070 1.00 38.97 C +ATOM 573 CG2 VAL A 750 64.051 4.833 -29.276 1.00 37.30 C +ATOM 574 N CYS A 751 61.060 1.813 -27.376 1.00 41.80 N +ATOM 575 CA CYS A 751 60.354 0.553 -27.216 1.00 45.11 C +ATOM 576 C CYS A 751 60.515 -0.388 -28.386 1.00 44.82 C +ATOM 577 O CYS A 751 60.300 -0.021 -29.541 1.00 44.48 O +ATOM 578 CB CYS A 751 58.869 0.803 -26.956 1.00 48.44 C +ATOM 579 SG CYS A 751 58.545 1.461 -25.290 1.00 59.52 S +ATOM 580 N ARG A 752 60.896 -1.619 -28.075 1.00 45.98 N +ATOM 581 CA ARG A 752 61.083 -2.626 -29.106 1.00 47.62 C +ATOM 582 C ARG A 752 59.777 -3.342 -29.454 1.00 46.58 C +ATOM 583 O ARG A 752 59.029 -3.782 -28.561 1.00 44.23 O +ATOM 584 CB ARG A 752 62.126 -3.656 -28.657 1.00 50.03 C +ATOM 585 CG ARG A 752 61.969 -4.079 -27.206 1.00 54.03 C +ATOM 586 CD ARG A 752 62.906 -5.230 -26.803 1.00 57.52 C +ATOM 587 NE ARG A 752 64.320 -4.976 -27.087 1.00 59.51 N +ATOM 588 CZ ARG A 752 64.942 -5.371 -28.196 1.00 61.48 C +ATOM 589 NH1 ARG A 752 64.276 -6.043 -29.134 1.00 60.67 N +ATOM 590 NH2 ARG A 752 66.231 -5.099 -28.363 1.00 60.92 N +ATOM 591 N LEU A 753 59.510 -3.434 -30.758 1.00 43.90 N +ATOM 592 CA LEU A 753 58.336 -4.130 -31.264 1.00 40.78 C +ATOM 593 C LEU A 753 58.710 -5.598 -31.363 1.00 39.43 C +ATOM 594 O LEU A 753 59.730 -5.937 -31.950 1.00 39.31 O +ATOM 595 CB LEU A 753 57.973 -3.638 -32.655 1.00 40.82 C +ATOM 596 CG LEU A 753 56.924 -4.535 -33.313 1.00 40.82 C +ATOM 597 CD1 LEU A 753 55.629 -4.426 -32.539 1.00 40.74 C +ATOM 598 CD2 LEU A 753 56.710 -4.128 -34.755 1.00 42.47 C +ATOM 599 N LEU A 754 57.891 -6.473 -30.798 1.00 38.23 N +ATOM 600 CA LEU A 754 58.187 -7.892 -30.849 1.00 37.56 C +ATOM 601 C LEU A 754 57.577 -8.551 -32.075 1.00 36.81 C +ATOM 602 O LEU A 754 58.153 -9.469 -32.651 1.00 35.92 O +ATOM 603 CB LEU A 754 57.707 -8.559 -29.566 1.00 38.99 C +ATOM 604 CG LEU A 754 58.689 -8.252 -28.429 1.00 40.58 C +ATOM 605 CD1 LEU A 754 57.975 -8.068 -27.092 1.00 40.09 C +ATOM 606 CD2 LEU A 754 59.703 -9.383 -28.363 1.00 41.22 C +ATOM 607 N GLY A 755 56.416 -8.066 -32.484 1.00 37.28 N +ATOM 608 CA GLY A 755 55.764 -8.614 -33.656 1.00 37.83 C +ATOM 609 C GLY A 755 54.286 -8.314 -33.628 1.00 39.83 C +ATOM 610 O GLY A 755 53.795 -7.612 -32.735 1.00 39.26 O +ATOM 611 N ILE A 756 53.568 -8.827 -34.616 1.00 41.46 N +ATOM 612 CA ILE A 756 52.133 -8.624 -34.658 1.00 43.50 C +ATOM 613 C ILE A 756 51.451 -9.949 -34.884 1.00 44.78 C +ATOM 614 O ILE A 756 52.083 -10.927 -35.273 1.00 44.29 O +ATOM 615 CB ILE A 756 51.710 -7.647 -35.775 1.00 43.41 C +ATOM 616 CG1 ILE A 756 52.323 -8.070 -37.106 1.00 43.24 C +ATOM 617 CG2 ILE A 756 52.129 -6.236 -35.413 1.00 43.10 C +ATOM 618 CD1 ILE A 756 51.830 -7.243 -38.277 1.00 44.06 C +ATOM 619 N CYS A 757 50.154 -9.978 -34.623 1.00 48.11 N +ATOM 620 CA CYS A 757 49.373 -11.182 -34.813 1.00 50.92 C +ATOM 621 C CYS A 757 48.193 -10.810 -35.702 1.00 51.27 C +ATOM 622 O CYS A 757 47.432 -9.888 -35.397 1.00 49.83 O +ATOM 623 CB CYS A 757 48.889 -11.717 -33.466 1.00 52.07 C +ATOM 624 SG CYS A 757 48.467 -13.465 -33.513 1.00 58.72 S +ATOM 625 N LEU A 758 48.060 -11.512 -36.820 1.00 53.04 N +ATOM 626 CA LEU A 758 46.976 -11.225 -37.746 1.00 54.41 C +ATOM 627 C LEU A 758 45.772 -12.102 -37.495 1.00 55.33 C +ATOM 628 O LEU A 758 45.472 -12.999 -38.277 1.00 56.60 O +ATOM 629 CB LEU A 758 47.439 -11.393 -39.195 1.00 53.60 C +ATOM 630 CG LEU A 758 48.513 -10.402 -39.638 1.00 54.15 C +ATOM 631 CD1 LEU A 758 48.701 -10.502 -41.140 1.00 54.43 C +ATOM 632 CD2 LEU A 758 48.104 -8.989 -39.244 1.00 53.36 C +ATOM 633 N THR A 759 45.090 -11.845 -36.390 1.00 55.85 N +ATOM 634 CA THR A 759 43.895 -12.594 -36.052 1.00 58.36 C +ATOM 635 C THR A 759 42.731 -11.689 -36.415 1.00 60.08 C +ATOM 636 O THR A 759 42.946 -10.522 -36.729 1.00 58.74 O +ATOM 637 CB THR A 759 43.840 -12.908 -34.544 1.00 58.37 C +ATOM 638 OG1 THR A 759 44.324 -11.776 -33.807 1.00 56.58 O +ATOM 639 CG2 THR A 759 44.667 -14.151 -34.217 1.00 57.38 C +ATOM 640 N SER A 760 41.515 -12.231 -36.389 1.00 62.72 N +ATOM 641 CA SER A 760 40.310 -11.463 -36.695 1.00 65.10 C +ATOM 642 C SER A 760 40.638 -9.986 -36.585 1.00 66.46 C +ATOM 643 O SER A 760 40.511 -9.226 -37.546 1.00 67.57 O +ATOM 644 CB SER A 760 39.218 -11.810 -35.693 1.00 65.46 C +ATOM 645 OG SER A 760 39.666 -11.544 -34.371 1.00 69.24 O +ATOM 646 N THR A 761 41.076 -9.598 -35.392 1.00 68.57 N +ATOM 647 CA THR A 761 41.474 -8.227 -35.104 1.00 70.35 C +ATOM 648 C THR A 761 42.990 -8.235 -34.880 1.00 69.17 C +ATOM 649 O THR A 761 43.525 -9.145 -34.238 1.00 69.76 O +ATOM 650 CB THR A 761 40.769 -7.699 -33.837 1.00 72.55 C +ATOM 651 OG1 THR A 761 41.238 -6.372 -33.545 1.00 74.89 O +ATOM 652 CG2 THR A 761 41.035 -8.635 -32.644 1.00 71.77 C +ATOM 653 N VAL A 762 43.678 -7.227 -35.407 1.00 66.76 N +ATOM 654 CA VAL A 762 45.128 -7.156 -35.275 1.00 64.88 C +ATOM 655 C VAL A 762 45.625 -6.918 -33.845 1.00 63.46 C +ATOM 656 O VAL A 762 44.941 -6.301 -33.021 1.00 64.02 O +ATOM 657 CB VAL A 762 45.697 -6.069 -36.195 1.00 64.67 C +ATOM 658 CG1 VAL A 762 47.209 -6.162 -36.246 1.00 64.53 C +ATOM 659 CG2 VAL A 762 45.122 -6.232 -37.578 1.00 65.09 C +ATOM 660 N GLN A 763 46.822 -7.428 -33.560 1.00 60.48 N +ATOM 661 CA GLN A 763 47.439 -7.290 -32.247 1.00 55.75 C +ATOM 662 C GLN A 763 48.916 -6.908 -32.338 1.00 53.04 C +ATOM 663 O GLN A 763 49.697 -7.553 -33.033 1.00 52.85 O +ATOM 664 CB GLN A 763 47.285 -8.593 -31.468 1.00 54.80 C +ATOM 665 CG GLN A 763 45.840 -8.946 -31.189 1.00 55.62 C +ATOM 666 CD GLN A 763 45.693 -10.108 -30.225 1.00 57.04 C +ATOM 667 OE1 GLN A 763 45.983 -11.255 -30.565 1.00 56.73 O +ATOM 668 NE2 GLN A 763 45.246 -9.813 -29.006 1.00 58.37 N +ATOM 669 N LEU A 764 49.284 -5.838 -31.642 1.00 50.18 N +ATOM 670 CA LEU A 764 50.660 -5.362 -31.612 1.00 46.41 C +ATOM 671 C LEU A 764 51.316 -5.961 -30.382 1.00 43.08 C +ATOM 672 O LEU A 764 50.836 -5.769 -29.269 1.00 42.01 O +ATOM 673 CB LEU A 764 50.701 -3.835 -31.492 1.00 47.50 C +ATOM 674 CG LEU A 764 51.374 -3.023 -32.603 1.00 48.65 C +ATOM 675 CD1 LEU A 764 51.761 -1.651 -32.063 1.00 49.89 C +ATOM 676 CD2 LEU A 764 52.617 -3.736 -33.092 1.00 50.15 C +ATOM 677 N ILE A 765 52.407 -6.687 -30.568 1.00 40.23 N +ATOM 678 CA ILE A 765 53.080 -7.276 -29.417 1.00 39.64 C +ATOM 679 C ILE A 765 54.374 -6.531 -29.097 1.00 38.48 C +ATOM 680 O ILE A 765 55.330 -6.559 -29.875 1.00 37.04 O +ATOM 681 CB ILE A 765 53.438 -8.754 -29.652 1.00 40.15 C +ATOM 682 CG1 ILE A 765 52.273 -9.481 -30.343 1.00 39.13 C +ATOM 683 CG2 ILE A 765 53.799 -9.408 -28.314 1.00 36.97 C +ATOM 684 CD1 ILE A 765 51.033 -9.594 -29.510 1.00 39.75 C +ATOM 685 N THR A 766 54.408 -5.865 -27.951 1.00 36.60 N +ATOM 686 CA THR A 766 55.605 -5.137 -27.575 1.00 37.03 C +ATOM 687 C THR A 766 56.142 -5.626 -26.247 1.00 36.00 C +ATOM 688 O THR A 766 55.496 -6.401 -25.550 1.00 34.63 O +ATOM 689 CB THR A 766 55.338 -3.622 -27.445 1.00 37.51 C +ATOM 690 OG1 THR A 766 54.382 -3.397 -26.405 1.00 39.84 O +ATOM 691 CG2 THR A 766 54.802 -3.056 -28.741 1.00 37.12 C +ATOM 692 N GLN A 767 57.344 -5.170 -25.919 1.00 36.75 N +ATOM 693 CA GLN A 767 57.993 -5.504 -24.662 1.00 36.10 C +ATOM 694 C GLN A 767 57.187 -4.891 -23.527 1.00 35.85 C +ATOM 695 O GLN A 767 56.736 -3.746 -23.610 1.00 35.25 O +ATOM 696 CB GLN A 767 59.409 -4.944 -24.642 1.00 36.73 C +ATOM 697 CG GLN A 767 60.017 -4.859 -23.272 1.00 41.11 C +ATOM 698 CD GLN A 767 61.461 -4.413 -23.316 1.00 44.42 C +ATOM 699 OE1 GLN A 767 61.792 -3.411 -23.958 1.00 45.28 O +ATOM 700 NE2 GLN A 767 62.334 -5.151 -22.629 1.00 44.88 N +ATOM 701 N LEU A 768 56.997 -5.667 -22.468 1.00 36.27 N +ATOM 702 CA LEU A 768 56.240 -5.212 -21.316 1.00 35.24 C +ATOM 703 C LEU A 768 57.022 -4.190 -20.495 1.00 36.55 C +ATOM 704 O LEU A 768 58.178 -4.421 -20.146 1.00 38.26 O +ATOM 705 CB LEU A 768 55.887 -6.406 -20.435 1.00 32.04 C +ATOM 706 CG LEU A 768 55.122 -6.080 -19.148 1.00 30.58 C +ATOM 707 CD1 LEU A 768 53.791 -5.441 -19.489 1.00 27.74 C +ATOM 708 CD2 LEU A 768 54.912 -7.343 -18.344 1.00 25.69 C +ATOM 709 N MET A 769 56.402 -3.050 -20.209 1.00 37.61 N +ATOM 710 CA MET A 769 57.035 -2.022 -19.384 1.00 38.08 C +ATOM 711 C MET A 769 56.186 -2.025 -18.123 1.00 38.84 C +ATOM 712 O MET A 769 55.223 -1.269 -18.004 1.00 39.95 O +ATOM 713 CB MET A 769 56.982 -0.657 -20.072 1.00 39.42 C +ATOM 714 CG MET A 769 57.638 -0.648 -21.446 1.00 39.33 C +ATOM 715 SD MET A 769 59.306 -1.335 -21.405 1.00 40.31 S +ATOM 716 CE MET A 769 60.251 0.171 -21.176 1.00 39.26 C +ATOM 717 N PRO A 770 56.541 -2.890 -17.162 1.00 39.09 N +ATOM 718 CA PRO A 770 55.867 -3.086 -15.877 1.00 38.28 C +ATOM 719 C PRO A 770 55.450 -1.839 -15.118 1.00 39.26 C +ATOM 720 O PRO A 770 54.308 -1.730 -14.686 1.00 42.63 O +ATOM 721 CB PRO A 770 56.872 -3.913 -15.082 1.00 38.41 C +ATOM 722 CG PRO A 770 57.657 -4.631 -16.135 1.00 37.65 C +ATOM 723 CD PRO A 770 57.865 -3.537 -17.142 1.00 38.96 C +ATOM 724 N PHE A 771 56.362 -0.892 -14.955 1.00 38.48 N +ATOM 725 CA PHE A 771 56.046 0.307 -14.195 1.00 36.57 C +ATOM 726 C PHE A 771 55.203 1.379 -14.874 1.00 37.18 C +ATOM 727 O PHE A 771 55.049 2.475 -14.343 1.00 37.64 O +ATOM 728 CB PHE A 771 57.342 0.894 -13.656 1.00 34.28 C +ATOM 729 CG PHE A 771 58.137 -0.089 -12.851 1.00 32.00 C +ATOM 730 CD1 PHE A 771 58.908 -1.059 -13.484 1.00 31.54 C +ATOM 731 CD2 PHE A 771 58.076 -0.079 -11.458 1.00 31.56 C +ATOM 732 CE1 PHE A 771 59.607 -2.009 -12.742 1.00 30.54 C +ATOM 733 CE2 PHE A 771 58.770 -1.022 -10.704 1.00 31.76 C +ATOM 734 CZ PHE A 771 59.538 -1.989 -11.350 1.00 32.42 C +ATOM 735 N GLY A 772 54.643 1.057 -16.036 1.00 38.15 N +ATOM 736 CA GLY A 772 53.802 2.006 -16.748 1.00 37.58 C +ATOM 737 C GLY A 772 54.539 3.165 -17.384 1.00 37.17 C +ATOM 738 O GLY A 772 55.733 3.073 -17.654 1.00 36.90 O +ATOM 739 N CYS A 773 53.828 4.261 -17.631 1.00 37.36 N +ATOM 740 CA CYS A 773 54.451 5.423 -18.240 1.00 38.60 C +ATOM 741 C CYS A 773 55.033 6.341 -17.167 1.00 38.21 C +ATOM 742 O CYS A 773 54.589 6.337 -16.013 1.00 37.67 O +ATOM 743 CB CYS A 773 53.449 6.190 -19.105 1.00 39.92 C +ATOM 744 SG CYS A 773 52.368 7.322 -18.214 1.00 47.95 S +ATOM 745 N LEU A 774 56.029 7.126 -17.562 1.00 36.86 N +ATOM 746 CA LEU A 774 56.714 8.028 -16.659 1.00 35.96 C +ATOM 747 C LEU A 774 55.793 9.065 -16.015 1.00 36.81 C +ATOM 748 O LEU A 774 55.875 9.295 -14.808 1.00 35.40 O +ATOM 749 CB LEU A 774 57.861 8.717 -17.409 1.00 34.80 C +ATOM 750 CG LEU A 774 59.027 9.324 -16.624 1.00 32.51 C +ATOM 751 CD1 LEU A 774 59.587 8.297 -15.659 1.00 33.05 C +ATOM 752 CD2 LEU A 774 60.104 9.769 -17.595 1.00 30.24 C +ATOM 753 N LEU A 775 54.911 9.682 -16.800 1.00 37.22 N +ATOM 754 CA LEU A 775 54.022 10.695 -16.242 1.00 38.41 C +ATOM 755 C LEU A 775 53.306 10.200 -14.994 1.00 39.12 C +ATOM 756 O LEU A 775 53.312 10.860 -13.960 1.00 40.72 O +ATOM 757 CB LEU A 775 52.994 11.153 -17.274 1.00 39.23 C +ATOM 758 CG LEU A 775 52.033 12.244 -16.778 1.00 39.17 C +ATOM 759 CD1 LEU A 775 52.809 13.379 -16.119 1.00 37.57 C +ATOM 760 CD2 LEU A 775 51.227 12.773 -17.952 1.00 39.60 C +ATOM 761 N ASP A 776 52.685 9.036 -15.090 1.00 39.50 N +ATOM 762 CA ASP A 776 51.990 8.473 -13.951 1.00 40.62 C +ATOM 763 C ASP A 776 52.963 8.158 -12.826 1.00 41.19 C +ATOM 764 O ASP A 776 52.676 8.413 -11.664 1.00 42.48 O +ATOM 765 CB ASP A 776 51.260 7.195 -14.360 1.00 43.03 C +ATOM 766 CG ASP A 776 50.014 7.472 -15.168 1.00 46.69 C +ATOM 767 OD1 ASP A 776 49.341 6.499 -15.581 1.00 49.29 O +ATOM 768 OD2 ASP A 776 49.701 8.663 -15.387 1.00 47.83 O +ATOM 769 N TYR A 777 54.118 7.605 -13.180 1.00 41.31 N +ATOM 770 CA TYR A 777 55.125 7.224 -12.205 1.00 39.42 C +ATOM 771 C TYR A 777 55.628 8.395 -11.361 1.00 39.94 C +ATOM 772 O TYR A 777 55.719 8.278 -10.142 1.00 41.10 O +ATOM 773 CB TYR A 777 56.289 6.534 -12.922 1.00 37.88 C +ATOM 774 CG TYR A 777 57.320 5.900 -12.010 1.00 39.32 C +ATOM 775 CD1 TYR A 777 58.321 6.666 -11.402 1.00 39.73 C +ATOM 776 CD2 TYR A 777 57.298 4.532 -11.755 1.00 39.67 C +ATOM 777 CE1 TYR A 777 59.273 6.082 -10.562 1.00 38.71 C +ATOM 778 CE2 TYR A 777 58.241 3.937 -10.919 1.00 40.63 C +ATOM 779 CZ TYR A 777 59.224 4.716 -10.325 1.00 41.23 C +ATOM 780 OH TYR A 777 60.141 4.115 -9.488 1.00 42.39 O +ATOM 781 N VAL A 778 55.955 9.523 -11.982 1.00 39.36 N +ATOM 782 CA VAL A 778 56.442 10.647 -11.191 1.00 39.20 C +ATOM 783 C VAL A 778 55.334 11.158 -10.285 1.00 40.92 C +ATOM 784 O VAL A 778 55.602 11.626 -9.176 1.00 42.59 O +ATOM 785 CB VAL A 778 56.946 11.835 -12.052 1.00 35.56 C +ATOM 786 CG1 VAL A 778 58.160 11.431 -12.836 1.00 33.82 C +ATOM 787 CG2 VAL A 778 55.856 12.320 -12.953 1.00 35.29 C +ATOM 788 N ARG A 779 54.091 11.079 -10.754 1.00 40.70 N +ATOM 789 CA ARG A 779 52.962 11.532 -9.949 1.00 40.92 C +ATOM 790 C ARG A 779 52.759 10.604 -8.766 1.00 42.14 C +ATOM 791 O ARG A 779 52.553 11.039 -7.639 1.00 43.05 O +ATOM 792 CB ARG A 779 51.684 11.558 -10.782 1.00 38.93 C +ATOM 793 CG ARG A 779 51.596 12.717 -11.740 1.00 38.35 C +ATOM 794 CD ARG A 779 50.369 12.618 -12.613 1.00 36.57 C +ATOM 795 NE ARG A 779 50.249 13.775 -13.489 1.00 37.62 N +ATOM 796 CZ ARG A 779 49.478 13.812 -14.571 1.00 40.28 C +ATOM 797 NH1 ARG A 779 48.759 12.747 -14.904 1.00 41.58 N +ATOM 798 NH2 ARG A 779 49.431 14.908 -15.325 1.00 40.31 N +ATOM 799 N GLU A 780 52.837 9.313 -9.028 1.00 43.89 N +ATOM 800 CA GLU A 780 52.631 8.329 -7.992 1.00 47.17 C +ATOM 801 C GLU A 780 53.794 8.137 -7.044 1.00 47.33 C +ATOM 802 O GLU A 780 53.620 7.525 -5.998 1.00 49.27 O +ATOM 803 CB GLU A 780 52.269 6.987 -8.629 1.00 51.18 C +ATOM 804 CG GLU A 780 52.014 5.862 -7.639 1.00 59.80 C +ATOM 805 CD GLU A 780 51.220 4.713 -8.252 1.00 66.09 C +ATOM 806 OE1 GLU A 780 50.844 3.776 -7.507 1.00 70.11 O +ATOM 807 OE2 GLU A 780 50.965 4.745 -9.478 1.00 68.63 O +ATOM 808 N HIS A 781 54.973 8.651 -7.380 1.00 47.68 N +ATOM 809 CA HIS A 781 56.120 8.437 -6.504 1.00 48.73 C +ATOM 810 C HIS A 781 56.876 9.657 -6.000 1.00 50.23 C +ATOM 811 O HIS A 781 57.825 9.508 -5.230 1.00 50.01 O +ATOM 812 CB HIS A 781 57.118 7.477 -7.166 1.00 48.23 C +ATOM 813 CG HIS A 781 56.631 6.063 -7.268 1.00 48.75 C +ATOM 814 ND1 HIS A 781 55.581 5.690 -8.079 1.00 49.43 N +ATOM 815 CD2 HIS A 781 57.058 4.929 -6.662 1.00 48.21 C +ATOM 816 CE1 HIS A 781 55.383 4.388 -7.970 1.00 48.56 C +ATOM 817 NE2 HIS A 781 56.266 3.902 -7.116 1.00 46.56 N +ATOM 818 N LYS A 782 56.465 10.849 -6.423 1.00 52.57 N +ATOM 819 CA LYS A 782 57.119 12.093 -6.006 1.00 55.09 C +ATOM 820 C LYS A 782 58.061 11.962 -4.810 1.00 56.40 C +ATOM 821 O LYS A 782 59.289 12.016 -4.940 1.00 56.96 O +ATOM 822 CB LYS A 782 56.072 13.156 -5.669 1.00 55.50 C +ATOM 823 CG LYS A 782 55.461 13.840 -6.873 1.00 60.48 C +ATOM 824 CD LYS A 782 54.533 14.972 -6.449 1.00 62.39 C +ATOM 825 CE LYS A 782 53.186 14.454 -5.937 1.00 64.70 C +ATOM 826 NZ LYS A 782 52.258 14.061 -7.048 1.00 64.27 N +ATOM 827 N ASP A 783 57.462 11.776 -3.643 1.00 57.28 N +ATOM 828 CA ASP A 783 58.188 11.674 -2.386 1.00 57.44 C +ATOM 829 C ASP A 783 59.307 10.635 -2.296 1.00 55.76 C +ATOM 830 O ASP A 783 59.846 10.393 -1.215 1.00 56.64 O +ATOM 831 CB ASP A 783 57.173 11.471 -1.262 1.00 60.48 C +ATOM 832 CG ASP A 783 56.049 12.509 -1.304 1.00 63.30 C +ATOM 833 OD1 ASP A 783 56.350 13.727 -1.271 1.00 62.89 O +ATOM 834 OD2 ASP A 783 54.867 12.105 -1.378 1.00 64.79 O +ATOM 835 N ASN A 784 59.671 10.029 -3.419 1.00 52.92 N +ATOM 836 CA ASN A 784 60.743 9.047 -3.405 1.00 50.55 C +ATOM 837 C ASN A 784 61.627 9.106 -4.634 1.00 48.52 C +ATOM 838 O ASN A 784 62.500 8.258 -4.831 1.00 48.43 O +ATOM 839 CB ASN A 784 60.171 7.649 -3.229 1.00 53.72 C +ATOM 840 CG ASN A 784 60.340 7.141 -1.812 1.00 57.61 C +ATOM 841 OD1 ASN A 784 61.426 6.695 -1.424 1.00 60.94 O +ATOM 842 ND2 ASN A 784 59.276 7.224 -1.021 1.00 58.00 N +ATOM 843 N ILE A 785 61.403 10.130 -5.449 1.00 45.64 N +ATOM 844 CA ILE A 785 62.175 10.342 -6.660 1.00 42.32 C +ATOM 845 C ILE A 785 63.170 11.462 -6.394 1.00 40.80 C +ATOM 846 O ILE A 785 62.784 12.603 -6.125 1.00 41.20 O +ATOM 847 CB ILE A 785 61.252 10.729 -7.831 1.00 41.93 C +ATOM 848 CG1 ILE A 785 60.282 9.582 -8.111 1.00 41.21 C +ATOM 849 CG2 ILE A 785 62.067 11.037 -9.065 1.00 40.38 C +ATOM 850 CD1 ILE A 785 59.200 9.930 -9.105 1.00 42.87 C +ATOM 851 N GLY A 786 64.452 11.121 -6.454 1.00 38.80 N +ATOM 852 CA GLY A 786 65.489 12.101 -6.219 1.00 37.10 C +ATOM 853 C GLY A 786 66.121 12.573 -7.511 1.00 37.43 C +ATOM 854 O GLY A 786 65.808 12.072 -8.580 1.00 37.41 O +ATOM 855 N SER A 787 67.032 13.531 -7.398 1.00 38.34 N +ATOM 856 CA SER A 787 67.723 14.110 -8.542 1.00 39.28 C +ATOM 857 C SER A 787 68.480 13.139 -9.441 1.00 38.71 C +ATOM 858 O SER A 787 68.576 13.369 -10.645 1.00 38.99 O +ATOM 859 CB SER A 787 68.680 15.212 -8.066 1.00 40.45 C +ATOM 860 OG SER A 787 69.575 14.718 -7.081 1.00 41.91 O +ATOM 861 N GLN A 788 69.026 12.065 -8.879 1.00 39.18 N +ATOM 862 CA GLN A 788 69.767 11.105 -9.696 1.00 39.95 C +ATOM 863 C GLN A 788 68.863 10.507 -10.769 1.00 40.51 C +ATOM 864 O GLN A 788 69.254 10.373 -11.933 1.00 40.45 O +ATOM 865 CB GLN A 788 70.322 9.975 -8.844 1.00 41.32 C +ATOM 866 CG GLN A 788 71.301 9.120 -9.608 1.00 46.90 C +ATOM 867 CD GLN A 788 72.559 9.889 -9.972 1.00 51.65 C +ATOM 868 OE1 GLN A 788 73.360 10.235 -9.097 1.00 54.55 O +ATOM 869 NE2 GLN A 788 72.738 10.172 -11.263 1.00 52.89 N +ATOM 870 N TYR A 789 67.653 10.145 -10.358 1.00 39.43 N +ATOM 871 CA TYR A 789 66.672 9.572 -11.255 1.00 38.52 C +ATOM 872 C TYR A 789 66.159 10.607 -12.250 1.00 37.33 C +ATOM 873 O TYR A 789 66.066 10.334 -13.446 1.00 38.70 O +ATOM 874 CB TYR A 789 65.515 9.008 -10.446 1.00 40.30 C +ATOM 875 CG TYR A 789 65.816 7.678 -9.827 1.00 42.79 C +ATOM 876 CD1 TYR A 789 65.804 6.530 -10.595 1.00 45.73 C +ATOM 877 CD2 TYR A 789 66.095 7.558 -8.469 1.00 47.26 C +ATOM 878 CE1 TYR A 789 66.055 5.281 -10.034 1.00 48.60 C +ATOM 879 CE2 TYR A 789 66.352 6.308 -7.890 1.00 48.39 C +ATOM 880 CZ TYR A 789 66.324 5.173 -8.684 1.00 48.63 C +ATOM 881 OH TYR A 789 66.529 3.917 -8.149 1.00 51.32 O +ATOM 882 N LEU A 790 65.818 11.793 -11.766 1.00 35.21 N +ATOM 883 CA LEU A 790 65.330 12.828 -12.658 1.00 34.39 C +ATOM 884 C LEU A 790 66.332 13.101 -13.765 1.00 33.19 C +ATOM 885 O LEU A 790 66.012 12.957 -14.942 1.00 32.40 O +ATOM 886 CB LEU A 790 65.028 14.118 -11.887 1.00 34.60 C +ATOM 887 CG LEU A 790 63.739 14.055 -11.056 1.00 36.08 C +ATOM 888 CD1 LEU A 790 63.523 15.363 -10.340 1.00 35.18 C +ATOM 889 CD2 LEU A 790 62.546 13.758 -11.967 1.00 36.85 C +ATOM 890 N LEU A 791 67.552 13.470 -13.394 1.00 31.99 N +ATOM 891 CA LEU A 791 68.574 13.765 -14.388 1.00 31.56 C +ATOM 892 C LEU A 791 68.907 12.585 -15.301 1.00 31.80 C +ATOM 893 O LEU A 791 69.164 12.773 -16.485 1.00 32.57 O +ATOM 894 CB LEU A 791 69.838 14.272 -13.698 1.00 32.74 C +ATOM 895 CG LEU A 791 69.675 15.602 -12.942 1.00 34.27 C +ATOM 896 CD1 LEU A 791 70.955 15.917 -12.172 1.00 32.87 C +ATOM 897 CD2 LEU A 791 69.332 16.718 -13.915 1.00 31.59 C +ATOM 898 N ASN A 792 68.902 11.367 -14.772 1.00 32.49 N +ATOM 899 CA ASN A 792 69.206 10.218 -15.615 1.00 33.26 C +ATOM 900 C ASN A 792 68.105 9.927 -16.623 1.00 32.69 C +ATOM 901 O ASN A 792 68.391 9.489 -17.735 1.00 34.18 O +ATOM 902 CB ASN A 792 69.506 8.983 -14.769 1.00 35.87 C +ATOM 903 CG ASN A 792 70.937 8.987 -14.219 1.00 41.02 C +ATOM 904 OD1 ASN A 792 71.317 8.115 -13.437 1.00 45.74 O +ATOM 905 ND2 ASN A 792 71.733 9.966 -14.634 1.00 41.09 N +ATOM 906 N TRP A 793 66.851 10.166 -16.253 1.00 30.45 N +ATOM 907 CA TRP A 793 65.769 9.945 -17.201 1.00 28.44 C +ATOM 908 C TRP A 793 65.948 10.930 -18.345 1.00 28.97 C +ATOM 909 O TRP A 793 65.833 10.566 -19.513 1.00 31.44 O +ATOM 910 CB TRP A 793 64.406 10.172 -16.561 1.00 26.42 C +ATOM 911 CG TRP A 793 64.035 9.141 -15.564 1.00 26.17 C +ATOM 912 CD1 TRP A 793 64.445 7.840 -15.541 1.00 25.77 C +ATOM 913 CD2 TRP A 793 63.140 9.301 -14.462 1.00 25.56 C +ATOM 914 NE1 TRP A 793 63.860 7.179 -14.492 1.00 25.19 N +ATOM 915 CE2 TRP A 793 63.052 8.049 -13.813 1.00 25.30 C +ATOM 916 CE3 TRP A 793 62.402 10.381 -13.959 1.00 25.54 C +ATOM 917 CZ2 TRP A 793 62.255 7.843 -12.688 1.00 24.84 C +ATOM 918 CZ3 TRP A 793 61.610 10.181 -12.841 1.00 25.13 C +ATOM 919 CH2 TRP A 793 61.542 8.916 -12.217 1.00 26.76 C +ATOM 920 N CYS A 794 66.232 12.182 -18.005 1.00 28.25 N +ATOM 921 CA CYS A 794 66.434 13.210 -19.012 1.00 28.31 C +ATOM 922 C CYS A 794 67.465 12.786 -20.037 1.00 28.64 C +ATOM 923 O CYS A 794 67.263 12.968 -21.238 1.00 28.75 O +ATOM 924 CB CYS A 794 66.873 14.508 -18.356 1.00 28.80 C +ATOM 925 SG CYS A 794 65.567 15.221 -17.390 1.00 31.60 S +ATOM 926 N VAL A 795 68.573 12.228 -19.558 1.00 28.23 N +ATOM 927 CA VAL A 795 69.642 11.754 -20.435 1.00 27.59 C +ATOM 928 C VAL A 795 69.139 10.632 -21.337 1.00 26.79 C +ATOM 929 O VAL A 795 69.324 10.675 -22.550 1.00 27.03 O +ATOM 930 CB VAL A 795 70.838 11.190 -19.632 1.00 27.60 C +ATOM 931 CG1 VAL A 795 71.921 10.722 -20.587 1.00 26.75 C +ATOM 932 CG2 VAL A 795 71.377 12.244 -18.675 1.00 27.53 C +ATOM 933 N GLN A 796 68.508 9.629 -20.737 1.00 26.18 N +ATOM 934 CA GLN A 796 68.000 8.492 -21.490 1.00 27.20 C +ATOM 935 C GLN A 796 67.046 8.888 -22.600 1.00 28.32 C +ATOM 936 O GLN A 796 67.154 8.397 -23.728 1.00 28.26 O +ATOM 937 CB GLN A 796 67.332 7.492 -20.555 1.00 25.10 C +ATOM 938 CG GLN A 796 68.327 6.638 -19.798 1.00 26.48 C +ATOM 939 CD GLN A 796 67.687 5.851 -18.679 1.00 28.25 C +ATOM 940 OE1 GLN A 796 66.628 5.254 -18.847 1.00 31.09 O +ATOM 941 NE2 GLN A 796 68.334 5.838 -17.529 1.00 30.48 N +ATOM 942 N ILE A 797 66.118 9.783 -22.289 1.00 28.58 N +ATOM 943 CA ILE A 797 65.165 10.233 -23.291 1.00 28.95 C +ATOM 944 C ILE A 797 65.900 10.960 -24.412 1.00 29.24 C +ATOM 945 O ILE A 797 65.608 10.755 -25.582 1.00 30.73 O +ATOM 946 CB ILE A 797 64.127 11.170 -22.676 1.00 28.89 C +ATOM 947 CG1 ILE A 797 63.290 10.397 -21.654 1.00 28.47 C +ATOM 948 CG2 ILE A 797 63.257 11.767 -23.773 1.00 27.28 C +ATOM 949 CD1 ILE A 797 62.397 11.275 -20.799 1.00 29.66 C +ATOM 950 N ALA A 798 66.860 11.803 -24.048 1.00 28.86 N +ATOM 951 CA ALA A 798 67.631 12.541 -25.033 1.00 28.05 C +ATOM 952 C ALA A 798 68.378 11.553 -25.920 1.00 29.27 C +ATOM 953 O ALA A 798 68.547 11.789 -27.117 1.00 30.53 O +ATOM 954 CB ALA A 798 68.606 13.488 -24.341 1.00 26.74 C +ATOM 955 N LYS A 799 68.834 10.446 -25.343 1.00 29.33 N +ATOM 956 CA LYS A 799 69.525 9.445 -26.146 1.00 29.60 C +ATOM 957 C LYS A 799 68.535 8.812 -27.125 1.00 31.14 C +ATOM 958 O LYS A 799 68.837 8.638 -28.309 1.00 32.57 O +ATOM 959 CB LYS A 799 70.147 8.370 -25.264 1.00 28.31 C +ATOM 960 CG LYS A 799 71.306 8.874 -24.450 1.00 29.07 C +ATOM 961 CD LYS A 799 72.118 7.740 -23.872 1.00 30.74 C +ATOM 962 CE LYS A 799 73.249 8.299 -23.021 1.00 33.26 C +ATOM 963 NZ LYS A 799 74.155 7.250 -22.480 1.00 35.43 N +ATOM 964 N GLY A 800 67.347 8.480 -26.630 1.00 30.81 N +ATOM 965 CA GLY A 800 66.344 7.899 -27.493 1.00 30.73 C +ATOM 966 C GLY A 800 66.051 8.842 -28.642 1.00 33.01 C +ATOM 967 O GLY A 800 66.096 8.458 -29.814 1.00 34.28 O +ATOM 968 N MET A 801 65.760 10.093 -28.311 1.00 33.00 N +ATOM 969 CA MET A 801 65.449 11.082 -29.330 1.00 32.71 C +ATOM 970 C MET A 801 66.612 11.309 -30.280 1.00 31.49 C +ATOM 971 O MET A 801 66.411 11.479 -31.475 1.00 31.87 O +ATOM 972 CB MET A 801 65.053 12.416 -28.691 1.00 32.44 C +ATOM 973 CG MET A 801 63.774 12.369 -27.908 1.00 33.68 C +ATOM 974 SD MET A 801 62.424 11.589 -28.834 1.00 38.39 S +ATOM 975 CE MET A 801 61.994 12.920 -29.937 1.00 37.28 C +ATOM 976 N ASN A 802 67.831 11.325 -29.763 1.00 29.87 N +ATOM 977 CA ASN A 802 68.961 11.559 -30.643 1.00 29.94 C +ATOM 978 C ASN A 802 69.046 10.401 -31.611 1.00 30.10 C +ATOM 979 O ASN A 802 69.438 10.563 -32.768 1.00 29.27 O +ATOM 980 CB ASN A 802 70.268 11.663 -29.857 1.00 28.61 C +ATOM 981 CG ASN A 802 71.480 11.785 -30.766 1.00 28.77 C +ATOM 982 OD1 ASN A 802 71.631 12.763 -31.496 1.00 30.97 O +ATOM 983 ND2 ASN A 802 72.343 10.785 -30.733 1.00 29.28 N +ATOM 984 N TYR A 803 68.676 9.222 -31.131 1.00 29.64 N +ATOM 985 CA TYR A 803 68.730 8.051 -31.978 1.00 30.79 C +ATOM 986 C TYR A 803 67.694 8.154 -33.091 1.00 33.16 C +ATOM 987 O TYR A 803 67.983 7.834 -34.242 1.00 34.53 O +ATOM 988 CB TYR A 803 68.488 6.787 -31.166 1.00 27.19 C +ATOM 989 CG TYR A 803 68.202 5.603 -32.040 1.00 25.76 C +ATOM 990 CD1 TYR A 803 69.231 4.875 -32.625 1.00 23.70 C +ATOM 991 CD2 TYR A 803 66.884 5.241 -32.330 1.00 25.59 C +ATOM 992 CE1 TYR A 803 68.953 3.812 -33.481 1.00 24.38 C +ATOM 993 CE2 TYR A 803 66.594 4.182 -33.182 1.00 25.61 C +ATOM 994 CZ TYR A 803 67.628 3.469 -33.750 1.00 25.12 C +ATOM 995 OH TYR A 803 67.327 2.389 -34.543 1.00 25.59 O +ATOM 996 N LEU A 804 66.488 8.594 -32.745 1.00 35.00 N +ATOM 997 CA LEU A 804 65.428 8.739 -33.730 1.00 37.00 C +ATOM 998 C LEU A 804 65.809 9.787 -34.759 1.00 40.23 C +ATOM 999 O LEU A 804 65.339 9.739 -35.891 1.00 41.64 O +ATOM 1000 CB LEU A 804 64.109 9.130 -33.057 1.00 34.44 C +ATOM 1001 CG LEU A 804 63.501 8.080 -32.120 1.00 34.06 C +ATOM 1002 CD1 LEU A 804 62.239 8.647 -31.491 1.00 34.57 C +ATOM 1003 CD2 LEU A 804 63.185 6.796 -32.875 1.00 28.67 C +ATOM 1004 N GLU A 805 66.655 10.740 -34.369 1.00 44.65 N +ATOM 1005 CA GLU A 805 67.083 11.775 -35.301 1.00 47.05 C +ATOM 1006 C GLU A 805 67.994 11.120 -36.324 1.00 47.78 C +ATOM 1007 O GLU A 805 67.864 11.365 -37.519 1.00 48.84 O +ATOM 1008 CB GLU A 805 67.811 12.914 -34.583 1.00 48.87 C +ATOM 1009 CG GLU A 805 68.289 14.018 -35.530 1.00 54.40 C +ATOM 1010 CD GLU A 805 68.665 15.313 -34.818 1.00 58.41 C +ATOM 1011 OE1 GLU A 805 69.311 16.182 -35.453 1.00 58.79 O +ATOM 1012 OE2 GLU A 805 68.310 15.469 -33.627 1.00 60.76 O +ATOM 1013 N ASP A 806 68.907 10.274 -35.858 1.00 48.84 N +ATOM 1014 CA ASP A 806 69.803 9.561 -36.764 1.00 50.07 C +ATOM 1015 C ASP A 806 68.968 8.822 -37.813 1.00 49.28 C +ATOM 1016 O ASP A 806 69.243 8.900 -39.004 1.00 49.67 O +ATOM 1017 CB ASP A 806 70.656 8.551 -35.991 1.00 53.23 C +ATOM 1018 CG ASP A 806 71.853 9.191 -35.311 1.00 57.05 C +ATOM 1019 OD1 ASP A 806 72.527 8.504 -34.502 1.00 58.41 O +ATOM 1020 OD2 ASP A 806 72.125 10.378 -35.596 1.00 58.85 O +ATOM 1021 N ARG A 807 67.943 8.110 -37.362 1.00 48.12 N +ATOM 1022 CA ARG A 807 67.080 7.370 -38.266 1.00 47.50 C +ATOM 1023 C ARG A 807 66.159 8.310 -39.010 1.00 46.51 C +ATOM 1024 O ARG A 807 65.165 7.887 -39.593 1.00 46.21 O +ATOM 1025 CB ARG A 807 66.253 6.341 -37.492 1.00 49.11 C +ATOM 1026 CG ARG A 807 67.025 5.068 -37.129 1.00 52.90 C +ATOM 1027 CD ARG A 807 67.602 4.392 -38.382 1.00 57.17 C +ATOM 1028 NE ARG A 807 66.673 4.430 -39.520 1.00 60.20 N +ATOM 1029 CZ ARG A 807 65.568 3.694 -39.631 1.00 60.22 C +ATOM 1030 NH1 ARG A 807 65.233 2.835 -38.676 1.00 59.26 N +ATOM 1031 NH2 ARG A 807 64.787 3.834 -40.697 1.00 59.63 N +ATOM 1032 N ARG A 808 66.502 9.591 -38.984 1.00 46.28 N +ATOM 1033 CA ARG A 808 65.710 10.625 -39.640 1.00 46.21 C +ATOM 1034 C ARG A 808 64.218 10.450 -39.355 1.00 45.10 C +ATOM 1035 O ARG A 808 63.399 10.529 -40.262 1.00 45.67 O +ATOM 1036 CB ARG A 808 65.950 10.591 -41.149 1.00 49.15 C +ATOM 1037 CG ARG A 808 67.418 10.577 -41.572 1.00 52.76 C +ATOM 1038 CD ARG A 808 67.538 10.738 -43.086 1.00 57.65 C +ATOM 1039 NE ARG A 808 68.827 10.275 -43.602 1.00 63.83 N +ATOM 1040 CZ ARG A 808 69.245 9.006 -43.577 1.00 66.57 C +ATOM 1041 NH1 ARG A 808 70.438 8.694 -44.075 1.00 66.92 N +ATOM 1042 NH2 ARG A 808 68.478 8.047 -43.060 1.00 66.70 N +ATOM 1043 N LEU A 809 63.871 10.223 -38.090 1.00 43.77 N +ATOM 1044 CA LEU A 809 62.479 10.029 -37.691 1.00 42.50 C +ATOM 1045 C LEU A 809 61.964 11.123 -36.752 1.00 40.89 C +ATOM 1046 O LEU A 809 62.547 11.375 -35.701 1.00 41.69 O +ATOM 1047 CB LEU A 809 62.324 8.654 -37.031 1.00 43.73 C +ATOM 1048 CG LEU A 809 60.925 8.261 -36.538 1.00 47.34 C +ATOM 1049 CD1 LEU A 809 60.807 6.744 -36.422 1.00 46.96 C +ATOM 1050 CD2 LEU A 809 60.653 8.925 -35.193 1.00 48.59 C +ATOM 1051 N VAL A 810 60.865 11.767 -37.132 1.00 38.15 N +ATOM 1052 CA VAL A 810 60.286 12.822 -36.322 1.00 37.55 C +ATOM 1053 C VAL A 810 59.097 12.288 -35.535 1.00 38.56 C +ATOM 1054 O VAL A 810 58.036 12.021 -36.088 1.00 39.86 O +ATOM 1055 CB VAL A 810 59.841 13.999 -37.194 1.00 37.08 C +ATOM 1056 CG1 VAL A 810 59.232 15.080 -36.327 1.00 40.06 C +ATOM 1057 CG2 VAL A 810 61.031 14.560 -37.937 1.00 37.14 C +ATOM 1058 N HIS A 811 59.289 12.154 -34.227 1.00 38.73 N +ATOM 1059 CA HIS A 811 58.287 11.612 -33.321 1.00 37.02 C +ATOM 1060 C HIS A 811 56.941 12.335 -33.308 1.00 38.59 C +ATOM 1061 O HIS A 811 55.881 11.703 -33.300 1.00 37.20 O +ATOM 1062 CB HIS A 811 58.869 11.574 -31.910 1.00 33.96 C +ATOM 1063 CG HIS A 811 58.038 10.803 -30.942 1.00 33.81 C +ATOM 1064 ND1 HIS A 811 56.797 11.231 -30.522 1.00 34.38 N +ATOM 1065 CD2 HIS A 811 58.245 9.604 -30.348 1.00 34.12 C +ATOM 1066 CE1 HIS A 811 56.273 10.326 -29.711 1.00 34.85 C +ATOM 1067 NE2 HIS A 811 57.132 9.329 -29.589 1.00 35.05 N +ATOM 1068 N ARG A 812 56.987 13.660 -33.282 1.00 40.42 N +ATOM 1069 CA ARG A 812 55.779 14.479 -33.259 1.00 42.04 C +ATOM 1070 C ARG A 812 54.853 14.344 -32.037 1.00 43.12 C +ATOM 1071 O ARG A 812 53.824 15.014 -31.978 1.00 44.70 O +ATOM 1072 CB ARG A 812 54.969 14.255 -34.536 1.00 42.71 C +ATOM 1073 CG ARG A 812 55.682 14.702 -35.809 1.00 43.63 C +ATOM 1074 CD ARG A 812 54.768 14.527 -36.996 1.00 45.66 C +ATOM 1075 NE ARG A 812 53.542 15.302 -36.835 1.00 48.11 N +ATOM 1076 CZ ARG A 812 52.314 14.818 -37.007 1.00 50.08 C +ATOM 1077 NH1 ARG A 812 52.130 13.546 -37.347 1.00 49.20 N +ATOM 1078 NH2 ARG A 812 51.264 15.612 -36.843 1.00 50.67 N +ATOM 1079 N ASP A 813 55.184 13.497 -31.067 1.00 41.77 N +ATOM 1080 CA ASP A 813 54.335 13.404 -29.883 1.00 40.95 C +ATOM 1081 C ASP A 813 55.087 12.969 -28.626 1.00 40.78 C +ATOM 1082 O ASP A 813 54.648 12.083 -27.882 1.00 39.00 O +ATOM 1083 CB ASP A 813 53.142 12.483 -30.133 1.00 43.49 C +ATOM 1084 CG ASP A 813 52.186 12.434 -28.944 1.00 46.00 C +ATOM 1085 OD1 ASP A 813 51.947 13.491 -28.317 1.00 45.92 O +ATOM 1086 OD2 ASP A 813 51.663 11.341 -28.635 1.00 48.14 O +ATOM 1087 N LEU A 814 56.229 13.613 -28.394 1.00 39.08 N +ATOM 1088 CA LEU A 814 57.052 13.331 -27.229 1.00 36.92 C +ATOM 1089 C LEU A 814 56.453 14.015 -26.007 1.00 35.98 C +ATOM 1090 O LEU A 814 56.259 15.227 -25.999 1.00 36.65 O +ATOM 1091 CB LEU A 814 58.473 13.840 -27.462 1.00 36.99 C +ATOM 1092 CG LEU A 814 59.406 13.802 -26.254 1.00 36.18 C +ATOM 1093 CD1 LEU A 814 59.335 12.454 -25.577 1.00 34.70 C +ATOM 1094 CD2 LEU A 814 60.815 14.103 -26.708 1.00 36.84 C +ATOM 1095 N ALA A 815 56.160 13.233 -24.980 1.00 34.01 N +ATOM 1096 CA ALA A 815 55.577 13.759 -23.762 1.00 33.88 C +ATOM 1097 C ALA A 815 55.804 12.745 -22.670 1.00 35.36 C +ATOM 1098 O ALA A 815 56.035 11.569 -22.941 1.00 36.86 O +ATOM 1099 CB ALA A 815 54.092 13.989 -23.946 1.00 33.78 C +ATOM 1100 N ALA A 816 55.724 13.194 -21.429 1.00 36.58 N +ATOM 1101 CA ALA A 816 55.941 12.305 -20.303 1.00 37.60 C +ATOM 1102 C ALA A 816 55.060 11.070 -20.377 1.00 37.68 C +ATOM 1103 O ALA A 816 55.460 10.004 -19.916 1.00 38.09 O +ATOM 1104 CB ALA A 816 55.701 13.051 -18.996 1.00 39.33 C +ATOM 1105 N ARG A 817 53.867 11.209 -20.956 1.00 38.73 N +ATOM 1106 CA ARG A 817 52.942 10.076 -21.065 1.00 39.35 C +ATOM 1107 C ARG A 817 53.403 9.066 -22.112 1.00 39.64 C +ATOM 1108 O ARG A 817 53.027 7.898 -22.054 1.00 39.71 O +ATOM 1109 CB ARG A 817 51.529 10.546 -21.419 1.00 38.51 C +ATOM 1110 CG ARG A 817 51.458 11.257 -22.740 1.00 40.12 C +ATOM 1111 CD ARG A 817 50.044 11.582 -23.155 1.00 41.39 C +ATOM 1112 NE ARG A 817 50.061 12.210 -24.475 1.00 49.35 N +ATOM 1113 CZ ARG A 817 50.422 13.471 -24.717 1.00 51.22 C +ATOM 1114 NH1 ARG A 817 50.788 14.271 -23.726 1.00 52.98 N +ATOM 1115 NH2 ARG A 817 50.447 13.927 -25.963 1.00 53.31 N +ATOM 1116 N ASN A 818 54.214 9.509 -23.067 1.00 38.59 N +ATOM 1117 CA ASN A 818 54.703 8.602 -24.097 1.00 38.67 C +ATOM 1118 C ASN A 818 56.093 8.035 -23.795 1.00 38.16 C +ATOM 1119 O ASN A 818 56.858 7.713 -24.704 1.00 38.51 O +ATOM 1120 CB ASN A 818 54.700 9.291 -25.467 1.00 39.50 C +ATOM 1121 CG ASN A 818 53.292 9.549 -25.982 1.00 40.46 C +ATOM 1122 OD1 ASN A 818 52.429 8.674 -25.926 1.00 40.24 O +ATOM 1123 ND2 ASN A 818 53.058 10.750 -26.492 1.00 41.13 N +ATOM 1124 N VAL A 819 56.422 7.917 -22.515 1.00 35.67 N +ATOM 1125 CA VAL A 819 57.704 7.354 -22.119 1.00 34.56 C +ATOM 1126 C VAL A 819 57.388 6.257 -21.115 1.00 35.29 C +ATOM 1127 O VAL A 819 56.800 6.520 -20.073 1.00 35.50 O +ATOM 1128 CB VAL A 819 58.625 8.403 -21.438 1.00 33.26 C +ATOM 1129 CG1 VAL A 819 59.898 7.732 -20.954 1.00 30.39 C +ATOM 1130 CG2 VAL A 819 58.953 9.533 -22.400 1.00 30.47 C +ATOM 1131 N LEU A 820 57.772 5.026 -21.423 1.00 35.29 N +ATOM 1132 CA LEU A 820 57.490 3.928 -20.513 1.00 34.60 C +ATOM 1133 C LEU A 820 58.649 3.597 -19.589 1.00 33.11 C +ATOM 1134 O LEU A 820 59.812 3.879 -19.894 1.00 31.72 O +ATOM 1135 CB LEU A 820 57.060 2.691 -21.300 1.00 36.34 C +ATOM 1136 CG LEU A 820 55.808 2.967 -22.145 1.00 37.21 C +ATOM 1137 CD1 LEU A 820 55.393 1.707 -22.855 1.00 37.85 C +ATOM 1138 CD2 LEU A 820 54.673 3.476 -21.259 1.00 36.40 C +ATOM 1139 N VAL A 821 58.303 2.994 -18.457 1.00 31.30 N +ATOM 1140 CA VAL A 821 59.260 2.621 -17.426 1.00 30.58 C +ATOM 1141 C VAL A 821 59.503 1.108 -17.339 1.00 30.27 C +ATOM 1142 O VAL A 821 58.647 0.352 -16.886 1.00 31.08 O +ATOM 1143 CB VAL A 821 58.769 3.133 -16.031 1.00 30.84 C +ATOM 1144 CG1 VAL A 821 59.823 2.859 -14.969 1.00 29.41 C +ATOM 1145 CG2 VAL A 821 58.434 4.632 -16.101 1.00 27.59 C +ATOM 1146 N LYS A 822 60.672 0.663 -17.778 1.00 30.27 N +ATOM 1147 CA LYS A 822 61.004 -0.755 -17.704 1.00 32.33 C +ATOM 1148 C LYS A 822 61.394 -1.015 -16.261 1.00 33.39 C +ATOM 1149 O LYS A 822 61.085 -2.055 -15.701 1.00 34.30 O +ATOM 1150 CB LYS A 822 62.176 -1.077 -18.617 1.00 33.35 C +ATOM 1151 CG LYS A 822 62.598 -2.516 -18.589 1.00 33.19 C +ATOM 1152 CD LYS A 822 63.913 -2.657 -19.307 1.00 35.11 C +ATOM 1153 CE LYS A 822 64.421 -4.072 -19.270 1.00 36.12 C +ATOM 1154 NZ LYS A 822 65.802 -4.135 -19.833 1.00 39.06 N +ATOM 1155 N THR A 823 62.099 -0.053 -15.675 1.00 34.88 N +ATOM 1156 CA THR A 823 62.513 -0.106 -14.280 1.00 35.18 C +ATOM 1157 C THR A 823 62.772 1.342 -13.921 1.00 36.20 C +ATOM 1158 O THR A 823 62.964 2.166 -14.800 1.00 36.79 O +ATOM 1159 CB THR A 823 63.818 -0.880 -14.075 1.00 34.19 C +ATOM 1160 OG1 THR A 823 64.914 -0.071 -14.499 1.00 34.93 O +ATOM 1161 CG2 THR A 823 63.815 -2.170 -14.871 1.00 33.17 C +ATOM 1162 N PRO A 824 62.778 1.680 -12.627 1.00 38.79 N +ATOM 1163 CA PRO A 824 63.028 3.080 -12.267 1.00 38.80 C +ATOM 1164 C PRO A 824 64.320 3.622 -12.868 1.00 37.98 C +ATOM 1165 O PRO A 824 64.473 4.827 -13.028 1.00 40.71 O +ATOM 1166 CB PRO A 824 63.075 3.039 -10.741 1.00 38.94 C +ATOM 1167 CG PRO A 824 62.098 1.946 -10.419 1.00 40.30 C +ATOM 1168 CD PRO A 824 62.483 0.875 -11.429 1.00 40.03 C +ATOM 1169 N GLN A 825 65.240 2.729 -13.211 1.00 35.96 N +ATOM 1170 CA GLN A 825 66.516 3.132 -13.782 1.00 35.91 C +ATOM 1171 C GLN A 825 66.530 3.132 -15.311 1.00 35.21 C +ATOM 1172 O GLN A 825 67.476 3.623 -15.924 1.00 36.05 O +ATOM 1173 CB GLN A 825 67.633 2.194 -13.307 1.00 38.57 C +ATOM 1174 CG GLN A 825 67.838 2.110 -11.806 1.00 45.96 C +ATOM 1175 CD GLN A 825 66.857 1.167 -11.106 1.00 50.17 C +ATOM 1176 OE1 GLN A 825 66.768 1.156 -9.875 1.00 53.03 O +ATOM 1177 NE2 GLN A 825 66.124 0.372 -11.884 1.00 50.97 N +ATOM 1178 N HIS A 826 65.493 2.593 -15.937 1.00 33.32 N +ATOM 1179 CA HIS A 826 65.498 2.501 -17.386 1.00 31.66 C +ATOM 1180 C HIS A 826 64.165 2.816 -18.046 1.00 31.40 C +ATOM 1181 O HIS A 826 63.217 2.034 -17.947 1.00 31.85 O +ATOM 1182 CB HIS A 826 65.942 1.093 -17.771 1.00 30.48 C +ATOM 1183 CG HIS A 826 66.197 0.914 -19.232 1.00 31.62 C +ATOM 1184 ND1 HIS A 826 66.664 -0.269 -19.763 1.00 31.35 N +ATOM 1185 CD2 HIS A 826 66.078 1.773 -20.271 1.00 31.23 C +ATOM 1186 CE1 HIS A 826 66.825 -0.130 -21.066 1.00 30.38 C +ATOM 1187 NE2 HIS A 826 66.478 1.100 -21.399 1.00 31.87 N +ATOM 1188 N VAL A 827 64.096 3.955 -18.728 1.00 29.30 N +ATOM 1189 CA VAL A 827 62.869 4.351 -19.410 1.00 29.76 C +ATOM 1190 C VAL A 827 63.065 4.230 -20.918 1.00 30.36 C +ATOM 1191 O VAL A 827 64.192 4.134 -21.401 1.00 30.96 O +ATOM 1192 CB VAL A 827 62.445 5.819 -19.062 1.00 28.85 C +ATOM 1193 CG1 VAL A 827 62.167 5.947 -17.573 1.00 26.77 C +ATOM 1194 CG2 VAL A 827 63.521 6.801 -19.481 1.00 25.45 C +ATOM 1195 N LYS A 828 61.966 4.217 -21.661 1.00 31.06 N +ATOM 1196 CA LYS A 828 62.046 4.112 -23.115 1.00 30.68 C +ATOM 1197 C LYS A 828 60.992 4.971 -23.807 1.00 30.30 C +ATOM 1198 O LYS A 828 59.864 5.112 -23.328 1.00 27.93 O +ATOM 1199 CB LYS A 828 61.884 2.655 -23.561 1.00 29.45 C +ATOM 1200 CG LYS A 828 63.004 1.738 -23.113 1.00 30.30 C +ATOM 1201 CD LYS A 828 62.830 0.333 -23.677 1.00 29.72 C +ATOM 1202 CE LYS A 828 64.005 -0.563 -23.313 1.00 29.11 C +ATOM 1203 NZ LYS A 828 63.895 -1.910 -23.937 1.00 27.13 N +ATOM 1204 N ILE A 829 61.375 5.556 -24.931 1.00 30.63 N +ATOM 1205 CA ILE A 829 60.449 6.371 -25.694 1.00 33.12 C +ATOM 1206 C ILE A 829 59.504 5.444 -26.445 1.00 34.54 C +ATOM 1207 O ILE A 829 59.931 4.435 -27.015 1.00 33.48 O +ATOM 1208 CB ILE A 829 61.196 7.239 -26.701 1.00 32.65 C +ATOM 1209 CG1 ILE A 829 62.117 8.199 -25.950 1.00 31.76 C +ATOM 1210 CG2 ILE A 829 60.206 7.966 -27.592 1.00 31.21 C +ATOM 1211 CD1 ILE A 829 63.004 9.012 -26.844 1.00 32.94 C +ATOM 1212 N THR A 830 58.222 5.784 -26.440 1.00 37.35 N +ATOM 1213 CA THR A 830 57.233 4.972 -27.128 1.00 41.97 C +ATOM 1214 C THR A 830 56.188 5.797 -27.884 1.00 44.84 C +ATOM 1215 O THR A 830 56.346 6.997 -28.091 1.00 44.95 O +ATOM 1216 CB THR A 830 56.513 4.041 -26.140 1.00 42.43 C +ATOM 1217 OG1 THR A 830 55.734 3.074 -26.861 1.00 43.90 O +ATOM 1218 CG2 THR A 830 55.605 4.843 -25.236 1.00 44.13 C +ATOM 1219 N ASP A 831 55.118 5.121 -28.293 1.00 49.71 N +ATOM 1220 CA ASP A 831 54.009 5.715 -29.037 1.00 52.00 C +ATOM 1221 C ASP A 831 54.446 6.481 -30.281 1.00 52.07 C +ATOM 1222 O ASP A 831 54.737 7.672 -30.229 1.00 52.02 O +ATOM 1223 CB ASP A 831 53.183 6.621 -28.126 1.00 55.59 C +ATOM 1224 CG ASP A 831 51.842 6.981 -28.737 1.00 60.65 C +ATOM 1225 OD1 ASP A 831 51.817 7.774 -29.706 1.00 63.39 O +ATOM 1226 OD2 ASP A 831 50.810 6.456 -28.257 1.00 63.90 O +ATOM 1227 N PHE A 832 54.480 5.773 -31.403 1.00 53.07 N +ATOM 1228 CA PHE A 832 54.879 6.350 -32.678 1.00 53.49 C +ATOM 1229 C PHE A 832 53.670 6.507 -33.603 1.00 53.13 C +ATOM 1230 O PHE A 832 53.804 6.493 -34.826 1.00 53.06 O +ATOM 1231 CB PHE A 832 55.934 5.454 -33.329 1.00 55.38 C +ATOM 1232 CG PHE A 832 57.211 5.360 -32.544 1.00 56.36 C +ATOM 1233 CD1 PHE A 832 58.207 6.324 -32.689 1.00 57.70 C +ATOM 1234 CD2 PHE A 832 57.409 4.327 -31.639 1.00 56.99 C +ATOM 1235 CE1 PHE A 832 59.379 6.264 -31.944 1.00 56.85 C +ATOM 1236 CE2 PHE A 832 58.578 4.256 -30.886 1.00 57.47 C +ATOM 1237 CZ PHE A 832 59.565 5.228 -31.040 1.00 57.40 C +ATOM 1238 N GLY A 833 52.492 6.670 -33.006 1.00 52.78 N +ATOM 1239 CA GLY A 833 51.274 6.840 -33.780 1.00 52.08 C +ATOM 1240 C GLY A 833 51.145 8.156 -34.540 1.00 51.57 C +ATOM 1241 O GLY A 833 50.057 8.518 -34.985 1.00 51.63 O +ATOM 1242 N LEU A 834 52.247 8.880 -34.695 1.00 50.39 N +ATOM 1243 CA LEU A 834 52.231 10.148 -35.412 1.00 49.63 C +ATOM 1244 C LEU A 834 53.624 10.350 -35.949 1.00 50.21 C +ATOM 1245 O LEU A 834 53.917 11.341 -36.612 1.00 50.52 O +ATOM 1246 CB LEU A 834 51.878 11.296 -34.470 1.00 49.48 C +ATOM 1247 CG LEU A 834 50.518 11.186 -33.777 1.00 51.51 C +ATOM 1248 CD1 LEU A 834 50.409 12.215 -32.662 1.00 52.31 C +ATOM 1249 CD2 LEU A 834 49.414 11.376 -34.796 1.00 51.29 C +ATOM 1250 N ALA A 835 54.489 9.392 -35.654 1.00 50.87 N +ATOM 1251 CA ALA A 835 55.868 9.463 -36.091 1.00 52.08 C +ATOM 1252 C ALA A 835 55.945 9.531 -37.606 1.00 53.65 C +ATOM 1253 O ALA A 835 55.061 9.036 -38.303 1.00 53.78 O +ATOM 1254 CB ALA A 835 56.628 8.250 -35.581 1.00 51.38 C +ATOM 1255 N LYS A 836 57.003 10.157 -38.113 1.00 56.12 N +ATOM 1256 CA LYS A 836 57.216 10.267 -39.550 1.00 57.96 C +ATOM 1257 C LYS A 836 58.681 10.021 -39.882 1.00 61.70 C +ATOM 1258 O LYS A 836 59.570 10.313 -39.084 1.00 62.79 O +ATOM 1259 CB LYS A 836 56.814 11.648 -40.060 1.00 54.90 C +ATOM 1260 CG LYS A 836 55.366 12.013 -39.818 1.00 54.59 C +ATOM 1261 CD LYS A 836 54.401 11.030 -40.459 1.00 53.93 C +ATOM 1262 CE LYS A 836 52.958 11.446 -40.174 1.00 55.68 C +ATOM 1263 NZ LYS A 836 51.946 10.414 -40.532 1.00 54.77 N +ATOM 1264 N LEU A 837 58.925 9.455 -41.057 1.00 65.94 N +ATOM 1265 CA LEU A 837 60.281 9.199 -41.511 1.00 69.19 C +ATOM 1266 C LEU A 837 60.525 10.203 -42.623 1.00 71.59 C +ATOM 1267 O LEU A 837 59.899 10.140 -43.678 1.00 71.99 O +ATOM 1268 CB LEU A 837 60.423 7.767 -42.041 1.00 68.75 C +ATOM 1269 CG LEU A 837 60.196 6.646 -41.018 1.00 69.96 C +ATOM 1270 CD1 LEU A 837 60.547 5.303 -41.632 1.00 69.86 C +ATOM 1271 CD2 LEU A 837 61.059 6.884 -39.791 1.00 71.17 C +ATOM 1272 N LEU A 838 61.415 11.152 -42.368 1.00 74.90 N +ATOM 1273 CA LEU A 838 61.727 12.172 -43.354 1.00 78.03 C +ATOM 1274 C LEU A 838 62.596 11.609 -44.469 1.00 81.52 C +ATOM 1275 O LEU A 838 63.527 10.835 -44.220 1.00 81.44 O +ATOM 1276 CB LEU A 838 62.439 13.346 -42.686 1.00 75.97 C +ATOM 1277 CG LEU A 838 61.713 13.973 -41.500 1.00 73.89 C +ATOM 1278 CD1 LEU A 838 62.513 15.171 -41.016 1.00 74.00 C +ATOM 1279 CD2 LEU A 838 60.306 14.382 -41.900 1.00 72.00 C +ATOM 1280 N GLY A 839 62.282 12.006 -45.698 1.00 85.26 N +ATOM 1281 CA GLY A 839 63.035 11.539 -46.845 1.00 90.93 C +ATOM 1282 C GLY A 839 64.525 11.825 -46.770 1.00 94.82 C +ATOM 1283 O GLY A 839 65.069 12.162 -45.707 1.00 94.90 O +ATOM 1284 N ALA A 840 65.187 11.683 -47.915 1.00 98.06 N +ATOM 1285 CA ALA A 840 66.622 11.914 -48.017 1.00101.24 C +ATOM 1286 C ALA A 840 66.984 13.277 -47.436 1.00103.18 C +ATOM 1287 O ALA A 840 67.658 13.367 -46.404 1.00103.72 O +ATOM 1288 CB ALA A 840 67.056 11.831 -49.480 1.00101.26 C +ATOM 1289 N GLU A 841 66.525 14.333 -48.102 1.00104.81 N +ATOM 1290 CA GLU A 841 66.798 15.689 -47.653 1.00106.07 C +ATOM 1291 C GLU A 841 65.520 16.524 -47.522 1.00105.65 C +ATOM 1292 O GLU A 841 65.427 17.645 -48.027 1.00105.23 O +ATOM 1293 CB GLU A 841 67.797 16.357 -48.601 1.00107.99 C +ATOM 1294 CG GLU A 841 69.109 15.586 -48.740 1.00110.24 C +ATOM 1295 CD GLU A 841 70.169 16.355 -49.511 1.00112.53 C +ATOM 1296 OE1 GLU A 841 69.880 16.799 -50.643 1.00114.14 O +ATOM 1297 OE2 GLU A 841 71.295 16.511 -48.986 1.00112.94 O +ATOM 1298 N GLU A 842 64.534 15.947 -46.843 1.00105.27 N +ATOM 1299 CA GLU A 842 63.259 16.605 -46.585 1.00104.86 C +ATOM 1300 C GLU A 842 63.331 17.063 -45.126 1.00103.76 C +ATOM 1301 O GLU A 842 62.811 16.397 -44.231 1.00104.29 O +ATOM 1302 CB GLU A 842 62.108 15.612 -46.775 1.00105.61 C +ATOM 1303 CG GLU A 842 60.769 16.105 -46.241 1.00108.04 C +ATOM 1304 CD GLU A 842 59.681 15.043 -46.283 1.00108.98 C +ATOM 1305 OE1 GLU A 842 59.943 13.899 -45.851 1.00109.26 O +ATOM 1306 OE2 GLU A 842 58.558 15.357 -46.735 1.00110.02 O +ATOM 1307 N LYS A 843 63.982 18.200 -44.895 1.00101.84 N +ATOM 1308 CA LYS A 843 64.170 18.729 -43.546 1.00 99.77 C +ATOM 1309 C LYS A 843 62.925 19.042 -42.723 1.00 98.10 C +ATOM 1310 O LYS A 843 62.993 19.063 -41.497 1.00 97.86 O +ATOM 1311 CB LYS A 843 65.073 19.964 -43.597 1.00100.02 C +ATOM 1312 CG LYS A 843 66.495 19.653 -44.037 1.00100.31 C +ATOM 1313 CD LYS A 843 67.384 20.884 -43.991 1.00101.13 C +ATOM 1314 CE LYS A 843 68.811 20.548 -44.403 1.00101.52 C +ATOM 1315 NZ LYS A 843 69.701 21.744 -44.391 1.00101.46 N +ATOM 1316 N GLU A 844 61.796 19.288 -43.375 1.00 96.42 N +ATOM 1317 CA GLU A 844 60.570 19.587 -42.641 1.00 95.40 C +ATOM 1318 C GLU A 844 59.508 18.554 -42.949 1.00 92.90 C +ATOM 1319 O GLU A 844 59.711 17.661 -43.765 1.00 92.68 O +ATOM 1320 CB GLU A 844 60.017 20.967 -43.022 1.00 98.12 C +ATOM 1321 CG GLU A 844 60.908 22.152 -42.678 1.00102.82 C +ATOM 1322 CD GLU A 844 62.231 22.139 -43.431 1.00105.84 C +ATOM 1323 OE1 GLU A 844 62.214 22.077 -44.682 1.00107.19 O +ATOM 1324 OE2 GLU A 844 63.292 22.195 -42.770 1.00107.51 O +ATOM 1325 N TYR A 845 58.373 18.678 -42.278 1.00 90.28 N +ATOM 1326 CA TYR A 845 57.255 17.787 -42.514 1.00 88.20 C +ATOM 1327 C TYR A 845 55.975 18.600 -42.432 1.00 88.88 C +ATOM 1328 O TYR A 845 55.571 19.035 -41.352 1.00 88.30 O +ATOM 1329 CB TYR A 845 57.195 16.651 -41.494 1.00 84.88 C +ATOM 1330 CG TYR A 845 55.929 15.849 -41.660 1.00 82.56 C +ATOM 1331 CD1 TYR A 845 55.682 15.145 -42.838 1.00 81.95 C +ATOM 1332 CD2 TYR A 845 54.930 15.877 -40.689 1.00 81.57 C +ATOM 1333 CE1 TYR A 845 54.470 14.497 -43.050 1.00 81.02 C +ATOM 1334 CE2 TYR A 845 53.714 15.231 -40.891 1.00 80.86 C +ATOM 1335 CZ TYR A 845 53.490 14.547 -42.075 1.00 80.90 C +ATOM 1336 OH TYR A 845 52.283 13.922 -42.293 1.00 80.76 O +ATOM 1337 N HIS A 846 55.344 18.810 -43.583 1.00 89.44 N +ATOM 1338 CA HIS A 846 54.109 19.573 -43.645 1.00 89.41 C +ATOM 1339 C HIS A 846 52.942 18.606 -43.572 1.00 88.39 C +ATOM 1340 O HIS A 846 52.682 17.862 -44.511 1.00 87.63 O +ATOM 1341 CB HIS A 846 54.062 20.388 -44.941 1.00 91.40 C +ATOM 1342 CG HIS A 846 55.301 21.197 -45.185 1.00 93.72 C +ATOM 1343 ND1 HIS A 846 55.816 22.073 -44.251 1.00 95.27 N +ATOM 1344 CD2 HIS A 846 56.140 21.250 -46.248 1.00 95.00 C +ATOM 1345 CE1 HIS A 846 56.916 22.629 -44.727 1.00 95.52 C +ATOM 1346 NE2 HIS A 846 57.136 22.147 -45.937 1.00 95.62 N +ATOM 1347 N ALA A 847 52.258 18.609 -42.434 1.00 88.62 N +ATOM 1348 CA ALA A 847 51.117 17.731 -42.216 1.00 89.03 C +ATOM 1349 C ALA A 847 49.816 18.496 -42.369 1.00 89.18 C +ATOM 1350 O ALA A 847 49.815 19.703 -42.597 1.00 88.78 O +ATOM 1351 CB ALA A 847 51.188 17.115 -40.826 1.00 89.05 C +ATOM 1352 N GLU A 848 48.707 17.781 -42.233 1.00 90.16 N +ATOM 1353 CA GLU A 848 47.392 18.384 -42.359 1.00 91.49 C +ATOM 1354 C GLU A 848 46.685 18.418 -41.011 1.00 91.11 C +ATOM 1355 O GLU A 848 47.325 18.288 -39.969 1.00 91.53 O +ATOM 1356 CB GLU A 848 46.566 17.605 -43.386 1.00 93.67 C +ATOM 1357 CG GLU A 848 47.116 17.710 -44.810 1.00 96.36 C +ATOM 1358 CD GLU A 848 46.463 16.731 -45.776 1.00 98.35 C +ATOM 1359 OE1 GLU A 848 46.759 16.804 -46.990 1.00 99.42 O +ATOM 1360 OE2 GLU A 848 45.661 15.886 -45.320 1.00 99.18 O +ATOM 1361 N GLY A 849 45.367 18.598 -41.036 1.00 90.61 N +ATOM 1362 CA GLY A 849 44.600 18.663 -39.804 1.00 89.67 C +ATOM 1363 C GLY A 849 44.590 17.375 -39.003 1.00 89.17 C +ATOM 1364 O GLY A 849 45.010 16.325 -39.491 1.00 90.14 O +ATOM 1365 N GLY A 850 44.104 17.456 -37.767 1.00 87.84 N +ATOM 1366 CA GLY A 850 44.045 16.286 -36.911 1.00 85.78 C +ATOM 1367 C GLY A 850 44.394 16.606 -35.471 1.00 84.88 C +ATOM 1368 O GLY A 850 45.265 17.440 -35.207 1.00 83.96 O +ATOM 1369 N LYS A 851 43.709 15.942 -34.540 1.00 83.80 N +ATOM 1370 CA LYS A 851 43.933 16.135 -33.106 1.00 82.36 C +ATOM 1371 C LYS A 851 45.434 16.194 -32.821 1.00 80.36 C +ATOM 1372 O LYS A 851 46.188 15.334 -33.277 1.00 80.12 O +ATOM 1373 CB LYS A 851 43.324 14.973 -32.313 1.00 83.41 C +ATOM 1374 CG LYS A 851 41.916 14.562 -32.733 1.00 85.39 C +ATOM 1375 CD LYS A 851 40.841 15.522 -32.243 1.00 87.36 C +ATOM 1376 CE LYS A 851 39.450 14.992 -32.597 1.00 88.85 C +ATOM 1377 NZ LYS A 851 38.348 15.880 -32.124 1.00 89.36 N +ATOM 1378 N VAL A 852 45.866 17.199 -32.065 1.00 77.83 N +ATOM 1379 CA VAL A 852 47.283 17.339 -31.745 1.00 75.90 C +ATOM 1380 C VAL A 852 47.560 17.915 -30.358 1.00 74.22 C +ATOM 1381 O VAL A 852 46.877 18.839 -29.911 1.00 75.62 O +ATOM 1382 CB VAL A 852 48.003 18.233 -32.778 1.00 76.07 C +ATOM 1383 CG1 VAL A 852 48.142 17.499 -34.104 1.00 75.44 C +ATOM 1384 CG2 VAL A 852 47.228 19.532 -32.963 1.00 75.95 C +ATOM 1385 N PRO A 853 48.569 17.367 -29.655 1.00 71.90 N +ATOM 1386 CA PRO A 853 48.938 17.840 -28.314 1.00 68.50 C +ATOM 1387 C PRO A 853 49.591 19.216 -28.480 1.00 65.36 C +ATOM 1388 O PRO A 853 50.812 19.343 -28.580 1.00 64.23 O +ATOM 1389 CB PRO A 853 49.914 16.773 -27.840 1.00 69.65 C +ATOM 1390 CG PRO A 853 50.607 16.383 -29.119 1.00 70.28 C +ATOM 1391 CD PRO A 853 49.458 16.273 -30.091 1.00 70.43 C +ATOM 1392 N ILE A 854 48.752 20.240 -28.529 1.00 62.01 N +ATOM 1393 CA ILE A 854 49.199 21.608 -28.731 1.00 58.37 C +ATOM 1394 C ILE A 854 50.129 22.141 -27.648 1.00 54.94 C +ATOM 1395 O ILE A 854 51.100 22.849 -27.929 1.00 53.28 O +ATOM 1396 CB ILE A 854 47.983 22.535 -28.860 1.00 58.23 C +ATOM 1397 CG1 ILE A 854 48.442 23.981 -29.007 1.00 58.91 C +ATOM 1398 CG2 ILE A 854 47.077 22.362 -27.657 1.00 57.94 C +ATOM 1399 CD1 ILE A 854 47.316 24.937 -29.293 1.00 61.12 C +ATOM 1400 N LYS A 855 49.832 21.788 -26.409 1.00 51.99 N +ATOM 1401 CA LYS A 855 50.623 22.250 -25.286 1.00 50.18 C +ATOM 1402 C LYS A 855 52.056 21.714 -25.242 1.00 47.99 C +ATOM 1403 O LYS A 855 52.864 22.137 -24.409 1.00 47.94 O +ATOM 1404 CB LYS A 855 49.877 21.922 -23.995 1.00 49.53 C +ATOM 1405 CG LYS A 855 48.600 22.712 -23.886 1.00 49.82 C +ATOM 1406 CD LYS A 855 47.826 22.389 -22.635 1.00 51.81 C +ATOM 1407 CE LYS A 855 46.646 23.331 -22.501 1.00 52.26 C +ATOM 1408 NZ LYS A 855 45.840 23.016 -21.294 1.00 55.54 N +ATOM 1409 N TRP A 856 52.374 20.800 -26.150 1.00 44.24 N +ATOM 1410 CA TRP A 856 53.702 20.212 -26.203 1.00 39.34 C +ATOM 1411 C TRP A 856 54.403 20.545 -27.488 1.00 37.76 C +ATOM 1412 O TRP A 856 55.509 20.081 -27.709 1.00 37.36 O +ATOM 1413 CB TRP A 856 53.616 18.698 -26.113 1.00 38.78 C +ATOM 1414 CG TRP A 856 53.505 18.156 -24.740 1.00 39.28 C +ATOM 1415 CD1 TRP A 856 54.514 17.654 -23.982 1.00 38.01 C +ATOM 1416 CD2 TRP A 856 52.311 18.029 -23.959 1.00 40.39 C +ATOM 1417 NE1 TRP A 856 54.029 17.212 -22.779 1.00 39.52 N +ATOM 1418 CE2 TRP A 856 52.680 17.431 -22.733 1.00 39.74 C +ATOM 1419 CE3 TRP A 856 50.965 18.363 -24.177 1.00 41.52 C +ATOM 1420 CZ2 TRP A 856 51.753 17.156 -21.717 1.00 41.07 C +ATOM 1421 CZ3 TRP A 856 50.038 18.090 -23.167 1.00 43.08 C +ATOM 1422 CH2 TRP A 856 50.442 17.489 -21.949 1.00 42.26 C +ATOM 1423 N MET A 857 53.779 21.345 -28.343 1.00 38.92 N +ATOM 1424 CA MET A 857 54.400 21.644 -29.627 1.00 41.19 C +ATOM 1425 C MET A 857 55.021 23.009 -29.870 1.00 41.29 C +ATOM 1426 O MET A 857 54.625 24.025 -29.293 1.00 41.60 O +ATOM 1427 CB MET A 857 53.425 21.308 -30.765 1.00 43.37 C +ATOM 1428 CG MET A 857 51.956 21.508 -30.422 1.00 47.92 C +ATOM 1429 SD MET A 857 50.839 20.526 -31.484 1.00 51.62 S +ATOM 1430 CE MET A 857 51.168 21.306 -33.104 1.00 47.36 C +ATOM 1431 N ALA A 858 56.028 22.995 -30.734 1.00 41.44 N +ATOM 1432 CA ALA A 858 56.754 24.185 -31.111 1.00 43.31 C +ATOM 1433 C ALA A 858 55.775 25.164 -31.722 1.00 46.39 C +ATOM 1434 O ALA A 858 54.670 24.788 -32.107 1.00 47.79 O +ATOM 1435 CB ALA A 858 57.832 23.834 -32.110 1.00 41.00 C +ATOM 1436 N LEU A 859 56.179 26.424 -31.806 1.00 49.35 N +ATOM 1437 CA LEU A 859 55.316 27.443 -32.372 1.00 51.13 C +ATOM 1438 C LEU A 859 55.051 27.140 -33.841 1.00 52.21 C +ATOM 1439 O LEU A 859 53.902 27.158 -34.281 1.00 52.14 O +ATOM 1440 CB LEU A 859 55.963 28.822 -32.238 1.00 50.95 C +ATOM 1441 CG LEU A 859 55.046 29.977 -32.647 1.00 50.27 C +ATOM 1442 CD1 LEU A 859 53.841 30.027 -31.716 1.00 47.02 C +ATOM 1443 CD2 LEU A 859 55.827 31.280 -32.615 1.00 48.78 C +ATOM 1444 N GLU A 860 56.118 26.847 -34.583 1.00 53.21 N +ATOM 1445 CA GLU A 860 56.021 26.550 -36.014 1.00 55.84 C +ATOM 1446 C GLU A 860 55.057 25.419 -36.344 1.00 56.22 C +ATOM 1447 O GLU A 860 54.573 25.321 -37.466 1.00 55.74 O +ATOM 1448 CB GLU A 860 57.391 26.178 -36.598 1.00 58.13 C +ATOM 1449 CG GLU A 860 58.592 26.720 -35.841 1.00 61.83 C +ATOM 1450 CD GLU A 860 58.884 25.935 -34.575 1.00 63.21 C +ATOM 1451 OE1 GLU A 860 59.412 24.797 -34.675 1.00 60.80 O +ATOM 1452 OE2 GLU A 860 58.571 26.463 -33.484 1.00 64.78 O +ATOM 1453 N SER A 861 54.787 24.556 -35.376 1.00 56.70 N +ATOM 1454 CA SER A 861 53.892 23.443 -35.621 1.00 56.68 C +ATOM 1455 C SER A 861 52.453 23.836 -35.371 1.00 58.45 C +ATOM 1456 O SER A 861 51.532 23.235 -35.915 1.00 60.03 O +ATOM 1457 CB SER A 861 54.280 22.270 -34.734 1.00 54.79 C +ATOM 1458 OG SER A 861 55.643 21.963 -34.928 1.00 52.45 O +ATOM 1459 N ILE A 862 52.256 24.852 -34.545 1.00 60.00 N +ATOM 1460 CA ILE A 862 50.909 25.299 -34.246 1.00 61.76 C +ATOM 1461 C ILE A 862 50.439 26.277 -35.311 1.00 63.06 C +ATOM 1462 O ILE A 862 49.258 26.320 -35.658 1.00 63.64 O +ATOM 1463 CB ILE A 862 50.841 25.976 -32.865 1.00 62.12 C +ATOM 1464 CG1 ILE A 862 51.304 24.990 -31.785 1.00 61.75 C +ATOM 1465 CG2 ILE A 862 49.414 26.441 -32.582 1.00 61.58 C +ATOM 1466 CD1 ILE A 862 51.126 25.505 -30.374 1.00 60.59 C +ATOM 1467 N LEU A 863 51.375 27.046 -35.851 1.00 63.58 N +ATOM 1468 CA LEU A 863 51.037 28.029 -36.862 1.00 64.22 C +ATOM 1469 C LEU A 863 51.109 27.523 -38.297 1.00 64.66 C +ATOM 1470 O LEU A 863 50.282 27.901 -39.125 1.00 66.31 O +ATOM 1471 CB LEU A 863 51.932 29.264 -36.709 1.00 63.30 C +ATOM 1472 CG LEU A 863 51.873 29.937 -35.334 1.00 63.07 C +ATOM 1473 CD1 LEU A 863 52.701 31.205 -35.357 1.00 62.91 C +ATOM 1474 CD2 LEU A 863 50.435 30.247 -34.960 1.00 61.19 C +ATOM 1475 N HIS A 864 52.088 26.680 -38.603 1.00 64.35 N +ATOM 1476 CA HIS A 864 52.229 26.180 -39.967 1.00 63.73 C +ATOM 1477 C HIS A 864 52.266 24.661 -40.055 1.00 63.10 C +ATOM 1478 O HIS A 864 52.701 24.106 -41.063 1.00 62.85 O +ATOM 1479 CB HIS A 864 53.505 26.729 -40.609 1.00 65.19 C +ATOM 1480 CG HIS A 864 53.841 28.132 -40.211 1.00 67.85 C +ATOM 1481 ND1 HIS A 864 52.904 29.020 -39.727 1.00 68.48 N +ATOM 1482 CD2 HIS A 864 55.011 28.814 -40.270 1.00 68.92 C +ATOM 1483 CE1 HIS A 864 53.481 30.187 -39.504 1.00 69.57 C +ATOM 1484 NE2 HIS A 864 54.759 30.090 -39.826 1.00 69.98 N +ATOM 1485 N ARG A 865 51.817 23.993 -39.000 1.00 62.52 N +ATOM 1486 CA ARG A 865 51.810 22.537 -38.953 1.00 62.21 C +ATOM 1487 C ARG A 865 53.061 21.918 -39.581 1.00 60.83 C +ATOM 1488 O ARG A 865 52.977 21.015 -40.413 1.00 61.32 O +ATOM 1489 CB ARG A 865 50.542 22.004 -39.620 1.00 63.99 C +ATOM 1490 CG ARG A 865 49.288 22.597 -38.987 1.00 68.91 C +ATOM 1491 CD ARG A 865 48.004 21.906 -39.423 1.00 72.37 C +ATOM 1492 NE ARG A 865 47.735 22.056 -40.848 1.00 75.15 N +ATOM 1493 CZ ARG A 865 46.564 21.781 -41.415 1.00 76.52 C +ATOM 1494 NH1 ARG A 865 45.553 21.345 -40.673 1.00 77.33 N +ATOM 1495 NH2 ARG A 865 46.405 21.938 -42.723 1.00 77.45 N +ATOM 1496 N ILE A 866 54.218 22.424 -39.159 1.00 58.11 N +ATOM 1497 CA ILE A 866 55.521 21.955 -39.619 1.00 55.64 C +ATOM 1498 C ILE A 866 56.201 21.210 -38.463 1.00 53.61 C +ATOM 1499 O ILE A 866 56.094 21.614 -37.306 1.00 52.93 O +ATOM 1500 CB ILE A 866 56.431 23.130 -40.004 1.00 56.33 C +ATOM 1501 CG1 ILE A 866 55.650 24.145 -40.837 1.00 57.03 C +ATOM 1502 CG2 ILE A 866 57.629 22.623 -40.787 1.00 57.40 C +ATOM 1503 CD1 ILE A 866 56.398 25.444 -41.061 1.00 55.67 C +ATOM 1504 N TYR A 867 56.905 20.130 -38.777 1.00 51.51 N +ATOM 1505 CA TYR A 867 57.589 19.351 -37.754 1.00 48.09 C +ATOM 1506 C TYR A 867 59.006 19.033 -38.163 1.00 47.87 C +ATOM 1507 O TYR A 867 59.268 18.629 -39.289 1.00 48.50 O +ATOM 1508 CB TYR A 867 56.840 18.061 -37.499 1.00 46.17 C +ATOM 1509 CG TYR A 867 55.448 18.291 -36.984 1.00 45.58 C +ATOM 1510 CD1 TYR A 867 55.165 18.198 -35.626 1.00 43.81 C +ATOM 1511 CD2 TYR A 867 54.410 18.601 -37.855 1.00 45.40 C +ATOM 1512 CE1 TYR A 867 53.882 18.402 -35.145 1.00 45.83 C +ATOM 1513 CE2 TYR A 867 53.120 18.811 -37.388 1.00 46.97 C +ATOM 1514 CZ TYR A 867 52.860 18.708 -36.032 1.00 47.35 C +ATOM 1515 OH TYR A 867 51.577 18.899 -35.568 1.00 48.64 O +ATOM 1516 N THR A 868 59.928 19.223 -37.236 1.00 46.98 N +ATOM 1517 CA THR A 868 61.322 18.954 -37.512 1.00 46.79 C +ATOM 1518 C THR A 868 61.912 18.324 -36.267 1.00 45.82 C +ATOM 1519 O THR A 868 61.235 18.213 -35.247 1.00 44.78 O +ATOM 1520 CB THR A 868 62.067 20.253 -37.832 1.00 48.05 C +ATOM 1521 OG1 THR A 868 61.899 21.166 -36.743 1.00 50.92 O +ATOM 1522 CG2 THR A 868 61.515 20.889 -39.108 1.00 46.15 C +ATOM 1523 N HIS A 869 63.162 17.885 -36.348 1.00 45.73 N +ATOM 1524 CA HIS A 869 63.785 17.294 -35.179 1.00 45.59 C +ATOM 1525 C HIS A 869 63.815 18.365 -34.097 1.00 44.49 C +ATOM 1526 O HIS A 869 63.609 18.072 -32.915 1.00 44.69 O +ATOM 1527 CB HIS A 869 65.197 16.814 -35.503 1.00 47.12 C +ATOM 1528 CG HIS A 869 65.228 15.664 -36.457 1.00 49.37 C +ATOM 1529 ND1 HIS A 869 64.447 14.540 -36.286 1.00 50.05 N +ATOM 1530 CD2 HIS A 869 65.944 15.458 -37.587 1.00 49.66 C +ATOM 1531 CE1 HIS A 869 64.681 13.691 -37.270 1.00 49.61 C +ATOM 1532 NE2 HIS A 869 65.586 14.224 -38.074 1.00 50.58 N +ATOM 1533 N GLN A 870 64.044 19.609 -34.512 1.00 41.55 N +ATOM 1534 CA GLN A 870 64.078 20.714 -33.574 1.00 39.00 C +ATOM 1535 C GLN A 870 62.732 20.954 -32.914 1.00 38.16 C +ATOM 1536 O GLN A 870 62.678 21.390 -31.773 1.00 39.31 O +ATOM 1537 CB GLN A 870 64.558 21.976 -34.260 1.00 39.82 C +ATOM 1538 CG GLN A 870 66.031 21.933 -34.603 1.00 41.24 C +ATOM 1539 CD GLN A 870 66.876 21.600 -33.403 1.00 41.97 C +ATOM 1540 OE1 GLN A 870 67.181 20.436 -33.141 1.00 44.36 O +ATOM 1541 NE2 GLN A 870 67.242 22.621 -32.647 1.00 44.38 N +ATOM 1542 N SER A 871 61.636 20.680 -33.605 1.00 36.97 N +ATOM 1543 CA SER A 871 60.346 20.867 -32.956 1.00 38.12 C +ATOM 1544 C SER A 871 60.166 19.737 -31.937 1.00 37.66 C +ATOM 1545 O SER A 871 59.371 19.842 -30.998 1.00 36.28 O +ATOM 1546 CB SER A 871 59.195 20.884 -33.977 1.00 39.22 C +ATOM 1547 OG SER A 871 59.139 19.700 -34.747 1.00 44.18 O +ATOM 1548 N ASP A 872 60.912 18.651 -32.118 1.00 38.56 N +ATOM 1549 CA ASP A 872 60.831 17.547 -31.168 1.00 40.16 C +ATOM 1550 C ASP A 872 61.545 17.990 -29.885 1.00 38.81 C +ATOM 1551 O ASP A 872 61.139 17.627 -28.770 1.00 38.89 O +ATOM 1552 CB ASP A 872 61.462 16.271 -31.749 1.00 42.54 C +ATOM 1553 CG ASP A 872 60.423 15.342 -32.407 1.00 45.17 C +ATOM 1554 OD1 ASP A 872 60.820 14.298 -32.977 1.00 45.51 O +ATOM 1555 OD2 ASP A 872 59.208 15.648 -32.349 1.00 47.10 O +ATOM 1556 N VAL A 873 62.590 18.800 -30.053 1.00 35.18 N +ATOM 1557 CA VAL A 873 63.329 19.327 -28.921 1.00 33.35 C +ATOM 1558 C VAL A 873 62.382 20.159 -28.042 1.00 33.73 C +ATOM 1559 O VAL A 873 62.366 20.032 -26.818 1.00 35.17 O +ATOM 1560 CB VAL A 873 64.493 20.191 -29.398 1.00 31.26 C +ATOM 1561 CG1 VAL A 873 65.178 20.851 -28.215 1.00 31.41 C +ATOM 1562 CG2 VAL A 873 65.480 19.327 -30.161 1.00 31.23 C +ATOM 1563 N TRP A 874 61.578 21.000 -28.666 1.00 32.17 N +ATOM 1564 CA TRP A 874 60.641 21.807 -27.912 1.00 32.61 C +ATOM 1565 C TRP A 874 59.845 20.913 -26.979 1.00 33.32 C +ATOM 1566 O TRP A 874 59.773 21.152 -25.778 1.00 33.70 O +ATOM 1567 CB TRP A 874 59.677 22.520 -28.861 1.00 32.75 C +ATOM 1568 CG TRP A 874 58.674 23.426 -28.176 1.00 30.77 C +ATOM 1569 CD1 TRP A 874 57.688 23.064 -27.291 1.00 29.16 C +ATOM 1570 CD2 TRP A 874 58.581 24.844 -28.317 1.00 28.66 C +ATOM 1571 NE1 TRP A 874 56.992 24.174 -26.873 1.00 27.96 N +ATOM 1572 CE2 TRP A 874 57.520 25.280 -27.489 1.00 28.93 C +ATOM 1573 CE3 TRP A 874 59.292 25.791 -29.064 1.00 29.35 C +ATOM 1574 CZ2 TRP A 874 57.159 26.622 -27.386 1.00 28.73 C +ATOM 1575 CZ3 TRP A 874 58.933 27.122 -28.963 1.00 30.23 C +ATOM 1576 CH2 TRP A 874 57.872 27.526 -28.127 1.00 29.97 C +ATOM 1577 N SER A 875 59.237 19.881 -27.548 1.00 35.50 N +ATOM 1578 CA SER A 875 58.417 18.957 -26.772 1.00 35.73 C +ATOM 1579 C SER A 875 59.240 18.257 -25.701 1.00 34.96 C +ATOM 1580 O SER A 875 58.721 17.919 -24.630 1.00 32.49 O +ATOM 1581 CB SER A 875 57.779 17.945 -27.708 1.00 36.71 C +ATOM 1582 OG SER A 875 57.226 18.634 -28.812 1.00 39.35 O +ATOM 1583 N TYR A 876 60.518 18.028 -26.002 1.00 32.50 N +ATOM 1584 CA TYR A 876 61.415 17.413 -25.034 1.00 31.30 C +ATOM 1585 C TYR A 876 61.481 18.364 -23.836 1.00 31.06 C +ATOM 1586 O TYR A 876 61.367 17.946 -22.677 1.00 29.93 O +ATOM 1587 CB TYR A 876 62.806 17.244 -25.638 1.00 30.51 C +ATOM 1588 CG TYR A 876 63.859 16.812 -24.641 1.00 30.59 C +ATOM 1589 CD1 TYR A 876 64.672 17.750 -24.000 1.00 29.34 C +ATOM 1590 CD2 TYR A 876 64.059 15.460 -24.352 1.00 27.67 C +ATOM 1591 CE1 TYR A 876 65.660 17.349 -23.099 1.00 26.31 C +ATOM 1592 CE2 TYR A 876 65.040 15.055 -23.464 1.00 25.54 C +ATOM 1593 CZ TYR A 876 65.837 16.001 -22.842 1.00 26.81 C +ATOM 1594 OH TYR A 876 66.817 15.593 -21.971 1.00 26.84 O +ATOM 1595 N GLY A 877 61.652 19.649 -24.141 1.00 29.99 N +ATOM 1596 CA GLY A 877 61.719 20.665 -23.110 1.00 29.18 C +ATOM 1597 C GLY A 877 60.499 20.642 -22.206 1.00 29.57 C +ATOM 1598 O GLY A 877 60.617 20.770 -20.986 1.00 32.11 O +ATOM 1599 N VAL A 878 59.321 20.484 -22.798 1.00 28.11 N +ATOM 1600 CA VAL A 878 58.091 20.444 -22.025 1.00 26.37 C +ATOM 1601 C VAL A 878 58.033 19.136 -21.235 1.00 26.93 C +ATOM 1602 O VAL A 878 57.471 19.088 -20.141 1.00 28.36 O +ATOM 1603 CB VAL A 878 56.845 20.553 -22.951 1.00 25.78 C +ATOM 1604 CG1 VAL A 878 55.590 20.645 -22.129 1.00 23.44 C +ATOM 1605 CG2 VAL A 878 56.967 21.767 -23.851 1.00 25.75 C +ATOM 1606 N THR A 879 58.617 18.070 -21.780 1.00 27.30 N +ATOM 1607 CA THR A 879 58.603 16.782 -21.082 1.00 26.33 C +ATOM 1608 C THR A 879 59.457 16.913 -19.827 1.00 25.83 C +ATOM 1609 O THR A 879 59.047 16.504 -18.742 1.00 24.78 O +ATOM 1610 CB THR A 879 59.159 15.632 -21.965 1.00 24.36 C +ATOM 1611 OG1 THR A 879 58.463 15.613 -23.211 1.00 24.40 O +ATOM 1612 CG2 THR A 879 58.954 14.292 -21.290 1.00 19.57 C +ATOM 1613 N VAL A 880 60.645 17.489 -19.982 1.00 25.41 N +ATOM 1614 CA VAL A 880 61.537 17.685 -18.847 1.00 26.74 C +ATOM 1615 C VAL A 880 60.822 18.500 -17.786 1.00 26.63 C +ATOM 1616 O VAL A 880 60.912 18.218 -16.600 1.00 27.58 O +ATOM 1617 CB VAL A 880 62.801 18.449 -19.244 1.00 27.57 C +ATOM 1618 CG1 VAL A 880 63.591 18.819 -17.989 1.00 27.78 C +ATOM 1619 CG2 VAL A 880 63.640 17.612 -20.200 1.00 26.64 C +ATOM 1620 N TRP A 881 60.113 19.522 -18.229 1.00 27.08 N +ATOM 1621 CA TRP A 881 59.376 20.375 -17.326 1.00 29.57 C +ATOM 1622 C TRP A 881 58.329 19.558 -16.573 1.00 32.49 C +ATOM 1623 O TRP A 881 58.126 19.764 -15.375 1.00 32.99 O +ATOM 1624 CB TRP A 881 58.706 21.483 -18.122 1.00 30.85 C +ATOM 1625 CG TRP A 881 57.987 22.456 -17.286 1.00 32.42 C +ATOM 1626 CD1 TRP A 881 58.455 23.651 -16.838 1.00 32.49 C +ATOM 1627 CD2 TRP A 881 56.657 22.327 -16.784 1.00 33.18 C +ATOM 1628 NE1 TRP A 881 57.498 24.280 -16.087 1.00 32.74 N +ATOM 1629 CE2 TRP A 881 56.381 23.491 -16.036 1.00 33.05 C +ATOM 1630 CE3 TRP A 881 55.669 21.340 -16.895 1.00 34.94 C +ATOM 1631 CZ2 TRP A 881 55.156 23.703 -15.398 1.00 31.24 C +ATOM 1632 CZ3 TRP A 881 54.444 21.548 -16.261 1.00 37.34 C +ATOM 1633 CH2 TRP A 881 54.202 22.730 -15.519 1.00 35.28 C +ATOM 1634 N GLU A 882 57.662 18.636 -17.274 1.00 34.47 N +ATOM 1635 CA GLU A 882 56.644 17.787 -16.650 1.00 35.79 C +ATOM 1636 C GLU A 882 57.261 16.965 -15.530 1.00 36.30 C +ATOM 1637 O GLU A 882 56.662 16.791 -14.476 1.00 38.13 O +ATOM 1638 CB GLU A 882 56.029 16.806 -17.649 1.00 38.54 C +ATOM 1639 CG GLU A 882 55.129 17.381 -18.727 1.00 42.89 C +ATOM 1640 CD GLU A 882 54.435 16.274 -19.523 1.00 46.18 C +ATOM 1641 OE1 GLU A 882 53.469 15.670 -19.004 1.00 48.47 O +ATOM 1642 OE2 GLU A 882 54.866 15.989 -20.659 1.00 47.63 O +ATOM 1643 N LEU A 883 58.455 16.442 -15.773 1.00 36.05 N +ATOM 1644 CA LEU A 883 59.137 15.630 -14.778 1.00 37.40 C +ATOM 1645 C LEU A 883 59.569 16.456 -13.562 1.00 38.22 C +ATOM 1646 O LEU A 883 59.299 16.073 -12.419 1.00 37.34 O +ATOM 1647 CB LEU A 883 60.360 14.957 -15.404 1.00 37.47 C +ATOM 1648 CG LEU A 883 60.134 14.103 -16.655 1.00 36.68 C +ATOM 1649 CD1 LEU A 883 61.493 13.707 -17.221 1.00 34.79 C +ATOM 1650 CD2 LEU A 883 59.278 12.871 -16.327 1.00 33.99 C +ATOM 1651 N MET A 884 60.243 17.579 -13.812 1.00 38.38 N +ATOM 1652 CA MET A 884 60.713 18.449 -12.744 1.00 39.04 C +ATOM 1653 C MET A 884 59.562 18.873 -11.841 1.00 40.48 C +ATOM 1654 O MET A 884 59.705 18.922 -10.616 1.00 40.40 O +ATOM 1655 CB MET A 884 61.385 19.687 -13.328 1.00 39.37 C +ATOM 1656 CG MET A 884 62.559 19.374 -14.219 1.00 42.80 C +ATOM 1657 SD MET A 884 63.783 18.350 -13.383 1.00 48.61 S +ATOM 1658 CE MET A 884 63.818 16.872 -14.397 1.00 47.62 C +ATOM 1659 N THR A 885 58.418 19.179 -12.444 1.00 39.90 N +ATOM 1660 CA THR A 885 57.257 19.593 -11.670 1.00 41.06 C +ATOM 1661 C THR A 885 56.513 18.373 -11.138 1.00 40.85 C +ATOM 1662 O THR A 885 55.417 18.481 -10.598 1.00 40.80 O +ATOM 1663 CB THR A 885 56.302 20.432 -12.518 1.00 41.76 C +ATOM 1664 OG1 THR A 885 55.891 19.668 -13.658 1.00 45.61 O +ATOM 1665 CG2 THR A 885 56.987 21.703 -12.984 1.00 40.74 C +ATOM 1666 N PHE A 886 57.123 17.209 -11.311 1.00 41.67 N +ATOM 1667 CA PHE A 886 56.567 15.955 -10.837 1.00 42.08 C +ATOM 1668 C PHE A 886 55.231 15.537 -11.428 1.00 43.04 C +ATOM 1669 O PHE A 886 54.466 14.812 -10.800 1.00 43.94 O +ATOM 1670 CB PHE A 886 56.498 15.997 -9.315 1.00 41.35 C +ATOM 1671 CG PHE A 886 57.843 15.890 -8.663 1.00 42.86 C +ATOM 1672 CD1 PHE A 886 58.446 14.646 -8.489 1.00 43.20 C +ATOM 1673 CD2 PHE A 886 58.541 17.030 -8.288 1.00 42.41 C +ATOM 1674 CE1 PHE A 886 59.726 14.537 -7.956 1.00 43.11 C +ATOM 1675 CE2 PHE A 886 59.824 16.934 -7.753 1.00 42.98 C +ATOM 1676 CZ PHE A 886 60.418 15.684 -7.588 1.00 43.21 C +ATOM 1677 N GLY A 887 54.954 15.984 -12.645 1.00 44.37 N +ATOM 1678 CA GLY A 887 53.713 15.601 -13.286 1.00 45.60 C +ATOM 1679 C GLY A 887 52.670 16.688 -13.392 1.00 46.88 C +ATOM 1680 O GLY A 887 51.484 16.389 -13.475 1.00 47.72 O +ATOM 1681 N SER A 888 53.093 17.946 -13.393 1.00 47.46 N +ATOM 1682 CA SER A 888 52.141 19.041 -13.500 1.00 48.58 C +ATOM 1683 C SER A 888 51.575 19.095 -14.909 1.00 49.82 C +ATOM 1684 O SER A 888 52.019 18.365 -15.790 1.00 51.76 O +ATOM 1685 CB SER A 888 52.810 20.368 -13.143 1.00 48.16 C +ATOM 1686 OG SER A 888 53.117 20.402 -11.758 1.00 48.37 O +ATOM 1687 N LYS A 889 50.586 19.948 -15.127 1.00 49.84 N +ATOM 1688 CA LYS A 889 49.984 20.048 -16.440 1.00 49.54 C +ATOM 1689 C LYS A 889 50.394 21.342 -17.126 1.00 49.62 C +ATOM 1690 O LYS A 889 50.158 22.433 -16.619 1.00 50.28 O +ATOM 1691 CB LYS A 889 48.464 19.940 -16.311 1.00 51.56 C +ATOM 1692 CG LYS A 889 47.970 18.506 -16.057 1.00 53.78 C +ATOM 1693 CD LYS A 889 46.722 18.456 -15.182 1.00 55.67 C +ATOM 1694 CE LYS A 889 45.605 19.327 -15.738 1.00 59.07 C +ATOM 1695 NZ LYS A 889 44.580 19.680 -14.699 1.00 60.50 N +ATOM 1696 N PRO A 890 51.030 21.231 -18.297 1.00 49.06 N +ATOM 1697 CA PRO A 890 51.492 22.382 -19.076 1.00 49.98 C +ATOM 1698 C PRO A 890 50.385 23.385 -19.347 1.00 51.90 C +ATOM 1699 O PRO A 890 49.363 23.052 -19.948 1.00 52.88 O +ATOM 1700 CB PRO A 890 51.994 21.749 -20.368 1.00 49.86 C +ATOM 1701 CG PRO A 890 52.390 20.375 -19.945 1.00 50.64 C +ATOM 1702 CD PRO A 890 51.286 19.976 -19.014 1.00 48.73 C +ATOM 1703 N TYR A 891 50.592 24.618 -18.906 1.00 53.76 N +ATOM 1704 CA TYR A 891 49.609 25.667 -19.118 1.00 53.85 C +ATOM 1705 C TYR A 891 48.298 25.243 -18.489 1.00 56.55 C +ATOM 1706 O TYR A 891 47.227 25.425 -19.065 1.00 56.51 O +ATOM 1707 CB TYR A 891 49.445 25.887 -20.605 1.00 50.32 C +ATOM 1708 CG TYR A 891 50.769 26.077 -21.288 1.00 48.66 C +ATOM 1709 CD1 TYR A 891 51.468 27.273 -21.159 1.00 48.40 C +ATOM 1710 CD2 TYR A 891 51.326 25.065 -22.070 1.00 47.56 C +ATOM 1711 CE1 TYR A 891 52.691 27.465 -21.800 1.00 48.11 C +ATOM 1712 CE2 TYR A 891 52.552 25.245 -22.716 1.00 46.82 C +ATOM 1713 CZ TYR A 891 53.223 26.450 -22.576 1.00 47.88 C +ATOM 1714 OH TYR A 891 54.418 26.657 -23.218 1.00 49.05 O +ATOM 1715 N ASP A 892 48.406 24.656 -17.302 1.00 60.04 N +ATOM 1716 CA ASP A 892 47.251 24.198 -16.556 1.00 63.45 C +ATOM 1717 C ASP A 892 46.299 25.364 -16.372 1.00 65.56 C +ATOM 1718 O ASP A 892 46.531 26.243 -15.543 1.00 66.31 O +ATOM 1719 CB ASP A 892 47.691 23.668 -15.200 1.00 65.59 C +ATOM 1720 CG ASP A 892 46.524 23.262 -14.335 1.00 68.97 C +ATOM 1721 OD1 ASP A 892 45.664 22.487 -14.822 1.00 68.46 O +ATOM 1722 OD2 ASP A 892 46.475 23.718 -13.168 1.00 70.85 O +ATOM 1723 N GLY A 893 45.230 25.364 -17.161 1.00 67.30 N +ATOM 1724 CA GLY A 893 44.255 26.435 -17.101 1.00 67.96 C +ATOM 1725 C GLY A 893 44.028 26.979 -18.496 1.00 68.36 C +ATOM 1726 O GLY A 893 42.948 26.827 -19.062 1.00 69.59 O +ATOM 1727 N ILE A 894 45.056 27.601 -19.059 1.00 68.36 N +ATOM 1728 CA ILE A 894 44.969 28.171 -20.398 1.00 68.66 C +ATOM 1729 C ILE A 894 44.432 27.148 -21.401 1.00 68.68 C +ATOM 1730 O ILE A 894 44.887 26.007 -21.437 1.00 68.79 O +ATOM 1731 CB ILE A 894 46.353 28.653 -20.886 1.00 68.69 C +ATOM 1732 CG1 ILE A 894 47.047 29.456 -19.782 1.00 69.36 C +ATOM 1733 CG2 ILE A 894 46.195 29.499 -22.138 1.00 68.54 C +ATOM 1734 CD1 ILE A 894 46.260 30.659 -19.277 1.00 69.88 C +ATOM 1735 N PRO A 895 43.430 27.537 -22.208 1.00 69.28 N +ATOM 1736 CA PRO A 895 42.861 26.620 -23.203 1.00 69.04 C +ATOM 1737 C PRO A 895 43.713 26.555 -24.468 1.00 67.82 C +ATOM 1738 O PRO A 895 44.394 27.516 -24.830 1.00 66.64 O +ATOM 1739 CB PRO A 895 41.473 27.206 -23.468 1.00 69.76 C +ATOM 1740 CG PRO A 895 41.152 27.920 -22.190 1.00 70.44 C +ATOM 1741 CD PRO A 895 42.466 28.607 -21.903 1.00 70.42 C +ATOM 1742 N ALA A 896 43.658 25.412 -25.138 1.00 66.81 N +ATOM 1743 CA ALA A 896 44.437 25.180 -26.343 1.00 66.76 C +ATOM 1744 C ALA A 896 44.522 26.349 -27.321 1.00 67.02 C +ATOM 1745 O ALA A 896 45.604 26.695 -27.792 1.00 66.09 O +ATOM 1746 CB ALA A 896 43.904 23.955 -27.053 1.00 66.79 C +ATOM 1747 N SER A 897 43.382 26.955 -27.626 1.00 68.77 N +ATOM 1748 CA SER A 897 43.334 28.063 -28.579 1.00 70.27 C +ATOM 1749 C SER A 897 44.166 29.298 -28.222 1.00 71.67 C +ATOM 1750 O SER A 897 44.473 30.115 -29.097 1.00 71.73 O +ATOM 1751 CB SER A 897 41.880 28.472 -28.819 1.00 69.80 C +ATOM 1752 OG SER A 897 41.210 28.699 -27.592 1.00 71.19 O +ATOM 1753 N GLU A 898 44.536 29.438 -26.951 1.00 72.58 N +ATOM 1754 CA GLU A 898 45.330 30.589 -26.530 1.00 72.73 C +ATOM 1755 C GLU A 898 46.832 30.368 -26.621 1.00 71.26 C +ATOM 1756 O GLU A 898 47.578 31.311 -26.891 1.00 70.24 O +ATOM 1757 CB GLU A 898 44.987 31.004 -25.096 1.00 75.70 C +ATOM 1758 CG GLU A 898 43.619 31.635 -24.927 1.00 80.25 C +ATOM 1759 CD GLU A 898 42.513 30.606 -24.809 1.00 84.09 C +ATOM 1760 OE1 GLU A 898 41.330 31.010 -24.719 1.00 86.42 O +ATOM 1761 OE2 GLU A 898 42.827 29.394 -24.799 1.00 85.68 O +ATOM 1762 N ILE A 899 47.275 29.131 -26.398 1.00 70.18 N +ATOM 1763 CA ILE A 899 48.702 28.821 -26.441 1.00 68.86 C +ATOM 1764 C ILE A 899 49.427 29.579 -27.547 1.00 69.86 C +ATOM 1765 O ILE A 899 50.354 30.341 -27.276 1.00 70.18 O +ATOM 1766 CB ILE A 899 48.962 27.305 -26.609 1.00 66.38 C +ATOM 1767 CG1 ILE A 899 48.782 26.586 -25.271 1.00 65.02 C +ATOM 1768 CG2 ILE A 899 50.385 27.074 -27.087 1.00 66.09 C +ATOM 1769 CD1 ILE A 899 47.404 26.683 -24.694 1.00 65.41 C +ATOM 1770 N SER A 900 49.009 29.379 -28.789 1.00 71.16 N +ATOM 1771 CA SER A 900 49.647 30.067 -29.904 1.00 72.86 C +ATOM 1772 C SER A 900 49.861 31.543 -29.569 1.00 73.06 C +ATOM 1773 O SER A 900 50.936 32.099 -29.809 1.00 72.54 O +ATOM 1774 CB SER A 900 48.783 29.937 -31.160 1.00 73.76 C +ATOM 1775 OG SER A 900 47.440 30.313 -30.891 1.00 76.25 O +ATOM 1776 N SER A 901 48.830 32.163 -29.000 1.00 73.14 N +ATOM 1777 CA SER A 901 48.868 33.575 -28.631 1.00 73.17 C +ATOM 1778 C SER A 901 49.897 33.838 -27.533 1.00 72.35 C +ATOM 1779 O SER A 901 50.714 34.755 -27.642 1.00 72.64 O +ATOM 1780 CB SER A 901 47.481 34.025 -28.164 1.00 74.31 C +ATOM 1781 OG SER A 901 46.493 33.729 -29.142 1.00 75.98 O +ATOM 1782 N ILE A 902 49.851 33.024 -26.483 1.00 70.31 N +ATOM 1783 CA ILE A 902 50.770 33.147 -25.361 1.00 67.73 C +ATOM 1784 C ILE A 902 52.237 32.961 -25.749 1.00 67.43 C +ATOM 1785 O ILE A 902 53.084 33.766 -25.362 1.00 67.50 O +ATOM 1786 CB ILE A 902 50.424 32.135 -24.268 1.00 66.98 C +ATOM 1787 CG1 ILE A 902 49.039 32.448 -23.706 1.00 66.84 C +ATOM 1788 CG2 ILE A 902 51.472 32.171 -23.177 1.00 67.15 C +ATOM 1789 CD1 ILE A 902 48.619 31.549 -22.558 1.00 67.48 C +ATOM 1790 N LEU A 903 52.544 31.910 -26.507 1.00 66.39 N +ATOM 1791 CA LEU A 903 53.926 31.661 -26.920 1.00 66.46 C +ATOM 1792 C LEU A 903 54.501 32.797 -27.750 1.00 66.49 C +ATOM 1793 O LEU A 903 55.709 33.016 -27.752 1.00 66.65 O +ATOM 1794 CB LEU A 903 54.045 30.365 -27.724 1.00 66.26 C +ATOM 1795 CG LEU A 903 53.784 29.024 -27.037 1.00 65.40 C +ATOM 1796 CD1 LEU A 903 54.132 27.916 -28.017 1.00 65.34 C +ATOM 1797 CD2 LEU A 903 54.611 28.891 -25.771 1.00 63.52 C +ATOM 1798 N GLU A 904 53.640 33.513 -28.464 1.00 68.00 N +ATOM 1799 CA GLU A 904 54.094 34.626 -29.292 1.00 68.23 C +ATOM 1800 C GLU A 904 54.392 35.841 -28.429 1.00 66.90 C +ATOM 1801 O GLU A 904 55.298 36.619 -28.737 1.00 65.55 O +ATOM 1802 CB GLU A 904 53.042 34.965 -30.349 1.00 70.07 C +ATOM 1803 CG GLU A 904 52.877 33.876 -31.407 1.00 74.64 C +ATOM 1804 CD GLU A 904 51.874 34.237 -32.502 1.00 77.02 C +ATOM 1805 OE1 GLU A 904 50.674 34.412 -32.179 1.00 78.20 O +ATOM 1806 OE2 GLU A 904 52.290 34.342 -33.684 1.00 75.89 O +ATOM 1807 N LYS A 905 53.632 35.984 -27.342 1.00 65.98 N +ATOM 1808 CA LYS A 905 53.800 37.089 -26.398 1.00 65.35 C +ATOM 1809 C LYS A 905 55.164 37.023 -25.704 1.00 63.92 C +ATOM 1810 O LYS A 905 55.561 37.964 -25.021 1.00 63.79 O +ATOM 1811 CB LYS A 905 52.701 37.056 -25.331 1.00 67.37 C +ATOM 1812 CG LYS A 905 51.281 37.306 -25.827 1.00 69.13 C +ATOM 1813 CD LYS A 905 50.277 37.019 -24.702 1.00 72.45 C +ATOM 1814 CE LYS A 905 48.815 37.098 -25.165 1.00 74.15 C +ATOM 1815 NZ LYS A 905 48.325 38.502 -25.329 1.00 75.05 N +ATOM 1816 N GLY A 906 55.868 35.904 -25.872 1.00 62.88 N +ATOM 1817 CA GLY A 906 57.185 35.743 -25.269 1.00 59.72 C +ATOM 1818 C GLY A 906 57.196 34.935 -23.982 1.00 56.69 C +ATOM 1819 O GLY A 906 58.241 34.775 -23.349 1.00 56.36 O +ATOM 1820 N GLU A 907 56.028 34.427 -23.604 1.00 53.51 N +ATOM 1821 CA GLU A 907 55.862 33.639 -22.388 1.00 51.63 C +ATOM 1822 C GLU A 907 56.179 32.148 -22.561 1.00 50.18 C +ATOM 1823 O GLU A 907 56.065 31.601 -23.661 1.00 50.04 O +ATOM 1824 CB GLU A 907 54.431 33.798 -21.880 1.00 52.59 C +ATOM 1825 CG GLU A 907 54.072 32.868 -20.739 1.00 56.94 C +ATOM 1826 CD GLU A 907 52.758 33.249 -20.091 1.00 60.32 C +ATOM 1827 OE1 GLU A 907 52.298 32.516 -19.183 1.00 58.88 O +ATOM 1828 OE2 GLU A 907 52.192 34.292 -20.497 1.00 62.65 O +ATOM 1829 N ARG A 908 56.571 31.502 -21.462 1.00 46.28 N +ATOM 1830 CA ARG A 908 56.908 30.083 -21.454 1.00 42.44 C +ATOM 1831 C ARG A 908 56.529 29.475 -20.117 1.00 42.59 C +ATOM 1832 O ARG A 908 56.148 30.189 -19.203 1.00 45.16 O +ATOM 1833 CB ARG A 908 58.399 29.899 -21.692 1.00 39.84 C +ATOM 1834 CG ARG A 908 58.864 30.407 -23.036 1.00 38.91 C +ATOM 1835 CD ARG A 908 58.154 29.677 -24.161 1.00 38.55 C +ATOM 1836 NE ARG A 908 57.669 30.617 -25.162 1.00 39.24 N +ATOM 1837 CZ ARG A 908 58.440 31.179 -26.076 1.00 40.42 C +ATOM 1838 NH1 ARG A 908 59.724 30.884 -26.118 1.00 43.16 N +ATOM 1839 NH2 ARG A 908 57.935 32.051 -26.928 1.00 42.70 N +ATOM 1840 N LEU A 909 56.616 28.157 -19.997 1.00 42.65 N +ATOM 1841 CA LEU A 909 56.277 27.501 -18.739 1.00 41.21 C +ATOM 1842 C LEU A 909 57.206 28.023 -17.645 1.00 41.92 C +ATOM 1843 O LEU A 909 58.380 28.297 -17.895 1.00 41.49 O +ATOM 1844 CB LEU A 909 56.431 25.984 -18.874 1.00 40.49 C +ATOM 1845 CG LEU A 909 55.428 25.305 -19.812 1.00 40.08 C +ATOM 1846 CD1 LEU A 909 55.854 23.871 -20.112 1.00 38.84 C +ATOM 1847 CD2 LEU A 909 54.052 25.335 -19.167 1.00 37.35 C +ATOM 1848 N PRO A 910 56.690 28.166 -16.414 1.00 42.23 N +ATOM 1849 CA PRO A 910 57.456 28.657 -15.256 1.00 41.29 C +ATOM 1850 C PRO A 910 58.596 27.730 -14.811 1.00 40.36 C +ATOM 1851 O PRO A 910 58.650 26.574 -15.202 1.00 41.64 O +ATOM 1852 CB PRO A 910 56.389 28.787 -14.183 1.00 40.61 C +ATOM 1853 CG PRO A 910 55.497 27.612 -14.495 1.00 41.38 C +ATOM 1854 CD PRO A 910 55.346 27.722 -16.000 1.00 40.52 C +ATOM 1855 N GLN A 911 59.493 28.246 -13.978 1.00 39.14 N +ATOM 1856 CA GLN A 911 60.626 27.479 -13.476 1.00 36.84 C +ATOM 1857 C GLN A 911 60.177 26.560 -12.351 1.00 35.97 C +ATOM 1858 O GLN A 911 59.605 27.008 -11.375 1.00 35.57 O +ATOM 1859 CB GLN A 911 61.706 28.433 -12.967 1.00 36.40 C +ATOM 1860 CG GLN A 911 62.955 27.763 -12.422 1.00 37.23 C +ATOM 1861 CD GLN A 911 64.053 28.774 -12.112 1.00 39.97 C +ATOM 1862 OE1 GLN A 911 64.088 29.868 -12.686 1.00 39.73 O +ATOM 1863 NE2 GLN A 911 64.966 28.407 -11.218 1.00 41.02 N +ATOM 1864 N PRO A 912 60.424 25.252 -12.477 1.00 36.85 N +ATOM 1865 CA PRO A 912 59.997 24.356 -11.400 1.00 36.94 C +ATOM 1866 C PRO A 912 60.797 24.603 -10.132 1.00 37.41 C +ATOM 1867 O PRO A 912 62.003 24.883 -10.184 1.00 37.70 O +ATOM 1868 CB PRO A 912 60.255 22.962 -11.973 1.00 36.78 C +ATOM 1869 CG PRO A 912 60.148 23.177 -13.452 1.00 38.54 C +ATOM 1870 CD PRO A 912 60.884 24.483 -13.645 1.00 37.25 C +ATOM 1871 N PRO A 913 60.133 24.495 -8.975 1.00 36.58 N +ATOM 1872 CA PRO A 913 60.686 24.687 -7.633 1.00 36.36 C +ATOM 1873 C PRO A 913 62.025 23.995 -7.386 1.00 37.17 C +ATOM 1874 O PRO A 913 62.925 24.581 -6.779 1.00 38.56 O +ATOM 1875 CB PRO A 913 59.592 24.135 -6.741 1.00 34.93 C +ATOM 1876 CG PRO A 913 58.375 24.535 -7.477 1.00 37.24 C +ATOM 1877 CD PRO A 913 58.704 24.170 -8.900 1.00 36.09 C +ATOM 1878 N ILE A 914 62.169 22.755 -7.844 1.00 35.70 N +ATOM 1879 CA ILE A 914 63.417 22.053 -7.611 1.00 34.26 C +ATOM 1880 C ILE A 914 64.482 22.422 -8.630 1.00 34.89 C +ATOM 1881 O ILE A 914 65.657 22.124 -8.438 1.00 35.25 O +ATOM 1882 CB ILE A 914 63.232 20.507 -7.629 1.00 34.09 C +ATOM 1883 CG1 ILE A 914 62.869 20.026 -9.039 1.00 34.26 C +ATOM 1884 CG2 ILE A 914 62.163 20.094 -6.631 1.00 30.04 C +ATOM 1885 CD1 ILE A 914 62.934 18.518 -9.208 1.00 31.25 C +ATOM 1886 N CYS A 915 64.078 23.091 -9.701 1.00 36.06 N +ATOM 1887 CA CYS A 915 65.019 23.449 -10.755 1.00 39.10 C +ATOM 1888 C CYS A 915 65.970 24.583 -10.481 1.00 39.12 C +ATOM 1889 O CYS A 915 65.557 25.681 -10.116 1.00 39.80 O +ATOM 1890 CB CYS A 915 64.279 23.772 -12.050 1.00 41.69 C +ATOM 1891 SG CYS A 915 63.790 22.335 -13.002 1.00 50.27 S +ATOM 1892 N THR A 916 67.256 24.310 -10.666 1.00 39.86 N +ATOM 1893 CA THR A 916 68.260 25.347 -10.503 1.00 39.90 C +ATOM 1894 C THR A 916 68.158 26.132 -11.807 1.00 38.48 C +ATOM 1895 O THR A 916 67.552 25.678 -12.775 1.00 37.12 O +ATOM 1896 CB THR A 916 69.705 24.781 -10.373 1.00 40.50 C +ATOM 1897 OG1 THR A 916 70.011 23.960 -11.507 1.00 40.55 O +ATOM 1898 CG2 THR A 916 69.852 23.965 -9.099 1.00 41.19 C +ATOM 1899 N ILE A 917 68.742 27.312 -11.835 1.00 38.59 N +ATOM 1900 CA ILE A 917 68.684 28.107 -13.037 1.00 37.92 C +ATOM 1901 C ILE A 917 69.408 27.388 -14.178 1.00 37.73 C +ATOM 1902 O ILE A 917 69.085 27.594 -15.339 1.00 38.45 O +ATOM 1903 CB ILE A 917 69.319 29.481 -12.803 1.00 36.49 C +ATOM 1904 CG1 ILE A 917 69.196 30.323 -14.076 1.00 36.12 C +ATOM 1905 CG2 ILE A 917 70.765 29.302 -12.363 1.00 31.46 C +ATOM 1906 CD1 ILE A 917 69.696 31.739 -13.935 1.00 37.90 C +ATOM 1907 N ASP A 918 70.385 26.548 -13.853 1.00 37.67 N +ATOM 1908 CA ASP A 918 71.131 25.822 -14.883 1.00 38.24 C +ATOM 1909 C ASP A 918 70.212 24.897 -15.703 1.00 37.25 C +ATOM 1910 O ASP A 918 70.229 24.912 -16.938 1.00 35.39 O +ATOM 1911 CB ASP A 918 72.248 24.982 -14.249 1.00 41.38 C +ATOM 1912 CG ASP A 918 73.197 25.807 -13.381 1.00 46.25 C +ATOM 1913 OD1 ASP A 918 72.753 26.335 -12.337 1.00 48.25 O +ATOM 1914 OD2 ASP A 918 74.395 25.921 -13.735 1.00 48.08 O +ATOM 1915 N VAL A 919 69.420 24.091 -15.001 1.00 35.71 N +ATOM 1916 CA VAL A 919 68.496 23.157 -15.629 1.00 34.73 C +ATOM 1917 C VAL A 919 67.368 23.870 -16.363 1.00 35.69 C +ATOM 1918 O VAL A 919 66.998 23.479 -17.471 1.00 35.23 O +ATOM 1919 CB VAL A 919 67.867 22.209 -14.581 1.00 33.68 C +ATOM 1920 CG1 VAL A 919 66.817 21.320 -15.234 1.00 30.03 C +ATOM 1921 CG2 VAL A 919 68.945 21.374 -13.933 1.00 32.82 C +ATOM 1922 N TYR A 920 66.813 24.904 -15.736 1.00 36.83 N +ATOM 1923 CA TYR A 920 65.713 25.663 -16.330 1.00 38.59 C +ATOM 1924 C TYR A 920 66.197 26.479 -17.526 1.00 38.81 C +ATOM 1925 O TYR A 920 65.440 26.764 -18.441 1.00 39.49 O +ATOM 1926 CB TYR A 920 65.088 26.584 -15.278 1.00 38.51 C +ATOM 1927 CG TYR A 920 63.908 27.391 -15.777 1.00 39.68 C +ATOM 1928 CD1 TYR A 920 63.990 28.778 -15.908 1.00 39.48 C +ATOM 1929 CD2 TYR A 920 62.707 26.770 -16.105 1.00 39.94 C +ATOM 1930 CE1 TYR A 920 62.907 29.520 -16.351 1.00 39.50 C +ATOM 1931 CE2 TYR A 920 61.620 27.502 -16.550 1.00 39.67 C +ATOM 1932 CZ TYR A 920 61.726 28.874 -16.672 1.00 40.30 C +ATOM 1933 OH TYR A 920 60.653 29.594 -17.135 1.00 40.38 O +ATOM 1934 N MET A 921 67.470 26.840 -17.502 1.00 40.20 N +ATOM 1935 CA MET A 921 68.099 27.605 -18.562 1.00 42.65 C +ATOM 1936 C MET A 921 68.114 26.741 -19.819 1.00 43.07 C +ATOM 1937 O MET A 921 68.127 27.244 -20.935 1.00 44.36 O +ATOM 1938 CB MET A 921 69.535 27.929 -18.156 1.00 47.61 C +ATOM 1939 CG MET A 921 70.163 29.079 -18.886 1.00 53.35 C +ATOM 1940 SD MET A 921 69.317 30.609 -18.474 1.00 61.38 S +ATOM 1941 CE MET A 921 68.980 31.215 -20.135 1.00 59.22 C +ATOM 1942 N ILE A 922 68.136 25.428 -19.629 1.00 42.12 N +ATOM 1943 CA ILE A 922 68.155 24.506 -20.753 1.00 40.69 C +ATOM 1944 C ILE A 922 66.760 24.327 -21.324 1.00 39.35 C +ATOM 1945 O ILE A 922 66.595 24.244 -22.534 1.00 39.22 O +ATOM 1946 CB ILE A 922 68.707 23.137 -20.347 1.00 41.14 C +ATOM 1947 CG1 ILE A 922 70.210 23.247 -20.087 1.00 40.55 C +ATOM 1948 CG2 ILE A 922 68.407 22.123 -21.435 1.00 41.57 C +ATOM 1949 CD1 ILE A 922 70.855 21.978 -19.542 1.00 40.77 C +ATOM 1950 N MET A 923 65.758 24.255 -20.457 1.00 37.95 N +ATOM 1951 CA MET A 923 64.386 24.118 -20.923 1.00 37.99 C +ATOM 1952 C MET A 923 64.046 25.316 -21.792 1.00 37.91 C +ATOM 1953 O MET A 923 63.632 25.176 -22.938 1.00 38.44 O +ATOM 1954 CB MET A 923 63.428 24.071 -19.750 1.00 37.83 C +ATOM 1955 CG MET A 923 63.544 22.831 -18.931 1.00 39.64 C +ATOM 1956 SD MET A 923 62.302 22.861 -17.661 1.00 44.84 S +ATOM 1957 CE MET A 923 63.279 22.386 -16.222 1.00 42.16 C +ATOM 1958 N VAL A 924 64.227 26.501 -21.228 1.00 37.59 N +ATOM 1959 CA VAL A 924 63.967 27.735 -21.939 1.00 36.64 C +ATOM 1960 C VAL A 924 64.545 27.708 -23.353 1.00 35.69 C +ATOM 1961 O VAL A 924 63.862 28.075 -24.303 1.00 36.75 O +ATOM 1962 CB VAL A 924 64.540 28.938 -21.149 1.00 37.18 C +ATOM 1963 CG1 VAL A 924 64.646 30.168 -22.045 1.00 36.90 C +ATOM 1964 CG2 VAL A 924 63.647 29.222 -19.944 1.00 34.87 C +ATOM 1965 N LYS A 925 65.791 27.272 -23.503 1.00 35.54 N +ATOM 1966 CA LYS A 925 66.401 27.215 -24.831 1.00 36.89 C +ATOM 1967 C LYS A 925 65.589 26.355 -25.802 1.00 37.62 C +ATOM 1968 O LYS A 925 65.371 26.737 -26.949 1.00 37.90 O +ATOM 1969 CB LYS A 925 67.821 26.677 -24.747 1.00 36.28 C +ATOM 1970 CG LYS A 925 68.751 27.577 -23.993 1.00 38.96 C +ATOM 1971 CD LYS A 925 70.153 27.010 -23.964 1.00 42.10 C +ATOM 1972 CE LYS A 925 71.058 27.848 -23.088 1.00 43.11 C +ATOM 1973 NZ LYS A 925 72.321 27.121 -22.826 1.00 46.34 N +ATOM 1974 N CYS A 926 65.142 25.193 -25.340 1.00 37.57 N +ATOM 1975 CA CYS A 926 64.340 24.311 -26.179 1.00 37.68 C +ATOM 1976 C CYS A 926 63.103 25.053 -26.668 1.00 37.37 C +ATOM 1977 O CYS A 926 62.407 24.577 -27.565 1.00 37.91 O +ATOM 1978 CB CYS A 926 63.869 23.085 -25.390 1.00 38.63 C +ATOM 1979 SG CYS A 926 65.156 22.006 -24.747 1.00 37.78 S +ATOM 1980 N TRP A 927 62.827 26.212 -26.076 1.00 36.47 N +ATOM 1981 CA TRP A 927 61.647 26.974 -26.441 1.00 36.23 C +ATOM 1982 C TRP A 927 61.889 28.239 -27.245 1.00 37.86 C +ATOM 1983 O TRP A 927 61.010 29.086 -27.353 1.00 37.55 O +ATOM 1984 CB TRP A 927 60.830 27.283 -25.189 1.00 34.70 C +ATOM 1985 CG TRP A 927 60.429 26.039 -24.440 1.00 34.16 C +ATOM 1986 CD1 TRP A 927 60.150 24.812 -24.980 1.00 35.06 C +ATOM 1987 CD2 TRP A 927 60.223 25.909 -23.029 1.00 32.75 C +ATOM 1988 NE1 TRP A 927 59.782 23.925 -23.993 1.00 33.67 N +ATOM 1989 CE2 TRP A 927 59.817 24.570 -22.786 1.00 33.81 C +ATOM 1990 CE3 TRP A 927 60.336 26.788 -21.945 1.00 32.01 C +ATOM 1991 CZ2 TRP A 927 59.524 24.092 -21.500 1.00 32.55 C +ATOM 1992 CZ3 TRP A 927 60.042 26.315 -20.665 1.00 31.62 C +ATOM 1993 CH2 TRP A 927 59.641 24.978 -20.456 1.00 32.83 C +ATOM 1994 N MET A 928 63.077 28.368 -27.819 1.00 39.97 N +ATOM 1995 CA MET A 928 63.366 29.522 -28.655 1.00 43.82 C +ATOM 1996 C MET A 928 62.332 29.524 -29.785 1.00 46.09 C +ATOM 1997 O MET A 928 61.707 28.505 -30.057 1.00 47.80 O +ATOM 1998 CB MET A 928 64.755 29.398 -29.275 1.00 44.70 C +ATOM 1999 CG MET A 928 65.909 29.344 -28.290 1.00 46.87 C +ATOM 2000 SD MET A 928 66.236 30.927 -27.520 1.00 48.28 S +ATOM 2001 CE MET A 928 65.054 30.863 -26.181 1.00 48.71 C +ATOM 2002 N ILE A 929 62.142 30.666 -30.434 1.00 48.43 N +ATOM 2003 CA ILE A 929 61.211 30.747 -31.553 1.00 49.11 C +ATOM 2004 C ILE A 929 62.005 30.233 -32.758 1.00 50.48 C +ATOM 2005 O ILE A 929 61.496 29.462 -33.575 1.00 50.78 O +ATOM 2006 CB ILE A 929 60.741 32.219 -31.805 1.00 50.02 C +ATOM 2007 CG1 ILE A 929 59.219 32.326 -31.649 1.00 49.04 C +ATOM 2008 CG2 ILE A 929 61.136 32.678 -33.210 1.00 48.46 C +ATOM 2009 CD1 ILE A 929 58.707 32.006 -30.262 1.00 50.23 C +ATOM 2010 N ASP A 930 63.260 30.666 -32.848 1.00 50.64 N +ATOM 2011 CA ASP A 930 64.154 30.255 -33.924 1.00 51.56 C +ATOM 2012 C ASP A 930 64.592 28.800 -33.694 1.00 52.48 C +ATOM 2013 O ASP A 930 65.523 28.533 -32.935 1.00 52.63 O +ATOM 2014 CB ASP A 930 65.380 31.172 -33.952 1.00 53.17 C +ATOM 2015 CG ASP A 930 66.404 30.758 -35.001 1.00 56.35 C +ATOM 2016 OD1 ASP A 930 67.503 31.357 -35.021 1.00 58.35 O +ATOM 2017 OD2 ASP A 930 66.120 29.843 -35.809 1.00 57.99 O +ATOM 2018 N ALA A 931 63.921 27.867 -34.363 1.00 52.50 N +ATOM 2019 CA ALA A 931 64.214 26.445 -34.227 1.00 51.56 C +ATOM 2020 C ALA A 931 65.698 26.088 -34.247 1.00 50.69 C +ATOM 2021 O ALA A 931 66.138 25.231 -33.485 1.00 51.23 O +ATOM 2022 CB ALA A 931 63.473 25.657 -35.307 1.00 51.11 C +ATOM 2023 N ASP A 932 66.475 26.738 -35.101 1.00 50.32 N +ATOM 2024 CA ASP A 932 67.905 26.434 -35.174 1.00 51.77 C +ATOM 2025 C ASP A 932 68.707 26.963 -33.987 1.00 49.75 C +ATOM 2026 O ASP A 932 69.902 26.719 -33.870 1.00 49.52 O +ATOM 2027 CB ASP A 932 68.493 26.968 -36.483 1.00 55.77 C +ATOM 2028 CG ASP A 932 68.005 26.193 -37.700 1.00 59.79 C +ATOM 2029 OD1 ASP A 932 68.360 26.583 -38.837 1.00 62.05 O +ATOM 2030 OD2 ASP A 932 67.270 25.193 -37.520 1.00 61.35 O +ATOM 2031 N SER A 933 68.041 27.689 -33.106 1.00 48.83 N +ATOM 2032 CA SER A 933 68.690 28.235 -31.929 1.00 48.02 C +ATOM 2033 C SER A 933 68.571 27.239 -30.786 1.00 46.91 C +ATOM 2034 O SER A 933 69.356 27.262 -29.843 1.00 47.14 O +ATOM 2035 CB SER A 933 68.031 29.559 -31.530 1.00 49.63 C +ATOM 2036 OG SER A 933 68.312 30.581 -32.472 1.00 51.90 O +ATOM 2037 N ARG A 934 67.580 26.364 -30.871 1.00 45.59 N +ATOM 2038 CA ARG A 934 67.367 25.372 -29.834 1.00 44.27 C +ATOM 2039 C ARG A 934 68.502 24.368 -29.816 1.00 43.53 C +ATOM 2040 O ARG A 934 69.193 24.178 -30.815 1.00 45.50 O +ATOM 2041 CB ARG A 934 66.055 24.649 -30.071 1.00 43.80 C +ATOM 2042 CG ARG A 934 64.923 25.596 -30.324 1.00 42.80 C +ATOM 2043 CD ARG A 934 63.630 24.854 -30.412 1.00 44.46 C +ATOM 2044 NE ARG A 934 62.579 25.719 -30.918 1.00 46.91 N +ATOM 2045 CZ ARG A 934 61.788 25.400 -31.931 1.00 46.48 C +ATOM 2046 NH1 ARG A 934 60.857 26.247 -32.329 1.00 47.19 N +ATOM 2047 NH2 ARG A 934 61.934 24.235 -32.543 1.00 46.17 N +ATOM 2048 N PRO A 935 68.716 23.711 -28.672 1.00 41.59 N +ATOM 2049 CA PRO A 935 69.794 22.730 -28.593 1.00 40.40 C +ATOM 2050 C PRO A 935 69.432 21.448 -29.340 1.00 40.02 C +ATOM 2051 O PRO A 935 68.259 21.159 -29.578 1.00 40.24 O +ATOM 2052 CB PRO A 935 69.934 22.511 -27.094 1.00 37.84 C +ATOM 2053 CG PRO A 935 68.535 22.615 -26.634 1.00 38.83 C +ATOM 2054 CD PRO A 935 68.005 23.810 -27.388 1.00 40.61 C +ATOM 2055 N LYS A 936 70.448 20.686 -29.711 1.00 39.93 N +ATOM 2056 CA LYS A 936 70.238 19.431 -30.410 1.00 38.37 C +ATOM 2057 C LYS A 936 70.349 18.302 -29.403 1.00 35.81 C +ATOM 2058 O LYS A 936 71.165 18.367 -28.480 1.00 34.85 O +ATOM 2059 CB LYS A 936 71.284 19.254 -31.511 1.00 39.47 C +ATOM 2060 CG LYS A 936 71.240 20.356 -32.543 1.00 44.37 C +ATOM 2061 CD LYS A 936 72.147 20.047 -33.707 1.00 49.23 C +ATOM 2062 CE LYS A 936 72.405 21.293 -34.535 1.00 53.64 C +ATOM 2063 NZ LYS A 936 73.384 21.039 -35.637 1.00 56.69 N +ATOM 2064 N PHE A 937 69.523 17.277 -29.584 1.00 32.10 N +ATOM 2065 CA PHE A 937 69.523 16.126 -28.704 1.00 30.28 C +ATOM 2066 C PHE A 937 70.911 15.636 -28.311 1.00 30.63 C +ATOM 2067 O PHE A 937 71.119 15.233 -27.165 1.00 30.33 O +ATOM 2068 CB PHE A 937 68.738 14.986 -29.340 1.00 29.36 C +ATOM 2069 CG PHE A 937 67.267 15.215 -29.354 1.00 26.91 C +ATOM 2070 CD1 PHE A 937 66.570 15.348 -28.169 1.00 26.06 C +ATOM 2071 CD2 PHE A 937 66.580 15.327 -30.547 1.00 26.86 C +ATOM 2072 CE1 PHE A 937 65.212 15.590 -28.172 1.00 25.57 C +ATOM 2073 CE2 PHE A 937 65.220 15.569 -30.558 1.00 26.25 C +ATOM 2074 CZ PHE A 937 64.535 15.701 -29.370 1.00 27.35 C +ATOM 2075 N ARG A 938 71.869 15.656 -29.232 1.00 30.94 N +ATOM 2076 CA ARG A 938 73.197 15.190 -28.850 1.00 35.23 C +ATOM 2077 C ARG A 938 73.817 16.130 -27.811 1.00 35.38 C +ATOM 2078 O ARG A 938 74.690 15.732 -27.033 1.00 34.26 O +ATOM 2079 CB ARG A 938 74.128 15.052 -30.065 1.00 37.71 C +ATOM 2080 CG ARG A 938 74.391 16.319 -30.842 1.00 40.33 C +ATOM 2081 CD ARG A 938 75.653 16.185 -31.684 1.00 43.73 C +ATOM 2082 NE ARG A 938 76.694 17.094 -31.198 1.00 49.96 N +ATOM 2083 CZ ARG A 938 77.813 16.721 -30.575 1.00 51.28 C +ATOM 2084 NH1 ARG A 938 78.678 17.647 -30.173 1.00 51.78 N +ATOM 2085 NH2 ARG A 938 78.084 15.435 -30.362 1.00 50.89 N +ATOM 2086 N GLU A 939 73.356 17.377 -27.791 1.00 35.16 N +ATOM 2087 CA GLU A 939 73.868 18.340 -26.830 1.00 35.80 C +ATOM 2088 C GLU A 939 73.137 18.185 -25.502 1.00 35.24 C +ATOM 2089 O GLU A 939 73.761 18.230 -24.443 1.00 36.08 O +ATOM 2090 CB GLU A 939 73.731 19.755 -27.381 1.00 37.63 C +ATOM 2091 CG GLU A 939 74.535 19.948 -28.661 1.00 42.17 C +ATOM 2092 CD GLU A 939 74.386 21.335 -29.265 1.00 43.73 C +ATOM 2093 OE1 GLU A 939 73.249 21.866 -29.251 1.00 42.62 O +ATOM 2094 OE2 GLU A 939 75.403 21.878 -29.764 1.00 42.84 O +ATOM 2095 N LEU A 940 71.821 17.994 -25.553 1.00 33.47 N +ATOM 2096 CA LEU A 940 71.063 17.785 -24.331 1.00 32.61 C +ATOM 2097 C LEU A 940 71.673 16.576 -23.615 1.00 33.23 C +ATOM 2098 O LEU A 940 71.728 16.535 -22.383 1.00 34.29 O +ATOM 2099 CB LEU A 940 69.588 17.504 -24.635 1.00 34.68 C +ATOM 2100 CG LEU A 940 68.647 18.625 -25.111 1.00 35.91 C +ATOM 2101 CD1 LEU A 940 68.659 19.783 -24.120 1.00 34.84 C +ATOM 2102 CD2 LEU A 940 69.080 19.108 -26.471 1.00 39.31 C +ATOM 2103 N ILE A 941 72.131 15.589 -24.387 1.00 31.91 N +ATOM 2104 CA ILE A 941 72.738 14.400 -23.800 1.00 30.51 C +ATOM 2105 C ILE A 941 73.980 14.790 -23.020 1.00 31.62 C +ATOM 2106 O ILE A 941 74.169 14.363 -21.885 1.00 32.61 O +ATOM 2107 CB ILE A 941 73.147 13.362 -24.872 1.00 29.97 C +ATOM 2108 CG1 ILE A 941 71.912 12.871 -25.627 1.00 28.14 C +ATOM 2109 CG2 ILE A 941 73.851 12.177 -24.209 1.00 25.18 C +ATOM 2110 CD1 ILE A 941 72.226 11.813 -26.658 1.00 26.29 C +ATOM 2111 N ILE A 942 74.829 15.603 -23.633 1.00 32.12 N +ATOM 2112 CA ILE A 942 76.047 16.048 -22.976 1.00 34.47 C +ATOM 2113 C ILE A 942 75.755 16.896 -21.739 1.00 35.70 C +ATOM 2114 O ILE A 942 76.292 16.648 -20.660 1.00 36.82 O +ATOM 2115 CB ILE A 942 76.932 16.862 -23.944 1.00 34.19 C +ATOM 2116 CG1 ILE A 942 77.378 15.961 -25.101 1.00 37.15 C +ATOM 2117 CG2 ILE A 942 78.141 17.416 -23.211 1.00 30.41 C +ATOM 2118 CD1 ILE A 942 78.259 16.650 -26.124 1.00 38.44 C +ATOM 2119 N GLU A 943 74.901 17.898 -21.892 1.00 35.93 N +ATOM 2120 CA GLU A 943 74.575 18.764 -20.772 1.00 36.29 C +ATOM 2121 C GLU A 943 74.038 18.019 -19.561 1.00 33.57 C +ATOM 2122 O GLU A 943 74.558 18.187 -18.463 1.00 31.29 O +ATOM 2123 CB GLU A 943 73.593 19.851 -21.213 1.00 40.67 C +ATOM 2124 CG GLU A 943 74.288 20.993 -21.933 1.00 49.13 C +ATOM 2125 CD GLU A 943 75.380 21.634 -21.067 1.00 56.91 C +ATOM 2126 OE1 GLU A 943 76.510 21.849 -21.580 1.00 58.70 O +ATOM 2127 OE2 GLU A 943 75.103 21.924 -19.871 1.00 59.94 O +ATOM 2128 N PHE A 944 73.008 17.196 -19.759 1.00 31.33 N +ATOM 2129 CA PHE A 944 72.419 16.436 -18.661 1.00 28.70 C +ATOM 2130 C PHE A 944 73.373 15.390 -18.099 1.00 29.21 C +ATOM 2131 O PHE A 944 73.324 15.084 -16.909 1.00 29.18 O +ATOM 2132 CB PHE A 944 71.113 15.784 -19.105 1.00 27.15 C +ATOM 2133 CG PHE A 944 69.929 16.716 -19.059 1.00 27.18 C +ATOM 2134 CD1 PHE A 944 69.340 17.051 -17.850 1.00 26.23 C +ATOM 2135 CD2 PHE A 944 69.436 17.300 -20.218 1.00 26.49 C +ATOM 2136 CE1 PHE A 944 68.284 17.953 -17.795 1.00 25.79 C +ATOM 2137 CE2 PHE A 944 68.378 18.207 -20.168 1.00 25.25 C +ATOM 2138 CZ PHE A 944 67.804 18.533 -18.954 1.00 24.98 C +ATOM 2139 N SER A 945 74.249 14.845 -18.937 1.00 28.09 N +ATOM 2140 CA SER A 945 75.203 13.867 -18.439 1.00 29.14 C +ATOM 2141 C SER A 945 76.124 14.534 -17.433 1.00 29.57 C +ATOM 2142 O SER A 945 76.459 13.949 -16.404 1.00 30.63 O +ATOM 2143 CB SER A 945 76.044 13.289 -19.565 1.00 29.80 C +ATOM 2144 OG SER A 945 75.247 12.487 -20.405 1.00 37.66 O +ATOM 2145 N LYS A 946 76.550 15.756 -17.730 1.00 28.99 N +ATOM 2146 CA LYS A 946 77.430 16.445 -16.807 1.00 29.44 C +ATOM 2147 C LYS A 946 76.697 16.665 -15.490 1.00 30.19 C +ATOM 2148 O LYS A 946 77.206 16.340 -14.421 1.00 29.54 O +ATOM 2149 CB LYS A 946 77.877 17.791 -17.364 1.00 29.25 C +ATOM 2150 CG LYS A 946 78.834 17.748 -18.539 1.00 30.65 C +ATOM 2151 CD LYS A 946 79.372 19.158 -18.755 1.00 31.98 C +ATOM 2152 CE LYS A 946 79.659 19.458 -20.206 1.00 33.73 C +ATOM 2153 NZ LYS A 946 79.375 20.899 -20.536 1.00 35.37 N +ATOM 2154 N MET A 947 75.490 17.208 -15.575 1.00 31.93 N +ATOM 2155 CA MET A 947 74.698 17.475 -14.387 1.00 32.93 C +ATOM 2156 C MET A 947 74.426 16.210 -13.606 1.00 33.90 C +ATOM 2157 O MET A 947 74.411 16.229 -12.377 1.00 33.83 O +ATOM 2158 CB MET A 947 73.372 18.131 -14.763 1.00 32.43 C +ATOM 2159 CG MET A 947 73.548 19.384 -15.559 1.00 35.42 C +ATOM 2160 SD MET A 947 72.171 20.501 -15.421 1.00 38.69 S +ATOM 2161 CE MET A 947 70.892 19.582 -16.270 1.00 40.79 C +ATOM 2162 N ALA A 948 74.210 15.108 -14.318 1.00 35.24 N +ATOM 2163 CA ALA A 948 73.922 13.840 -13.661 1.00 36.11 C +ATOM 2164 C ALA A 948 75.105 13.347 -12.839 1.00 36.27 C +ATOM 2165 O ALA A 948 74.959 12.431 -12.037 1.00 36.17 O +ATOM 2166 CB ALA A 948 73.518 12.796 -14.693 1.00 35.38 C +ATOM 2167 N ARG A 949 76.268 13.963 -13.030 1.00 38.17 N +ATOM 2168 CA ARG A 949 77.466 13.581 -12.283 1.00 40.59 C +ATOM 2169 C ARG A 949 77.463 14.181 -10.878 1.00 39.18 C +ATOM 2170 O ARG A 949 78.146 13.679 -9.988 1.00 38.04 O +ATOM 2171 CB ARG A 949 78.731 14.016 -13.023 1.00 44.78 C +ATOM 2172 CG ARG A 949 78.831 13.483 -14.440 1.00 52.17 C +ATOM 2173 CD ARG A 949 80.093 13.999 -15.129 1.00 58.45 C +ATOM 2174 NE ARG A 949 81.211 13.069 -15.003 1.00 62.97 N +ATOM 2175 CZ ARG A 949 81.319 11.934 -15.691 1.00 64.02 C +ATOM 2176 NH1 ARG A 949 82.372 11.146 -15.511 1.00 64.50 N +ATOM 2177 NH2 ARG A 949 80.377 11.592 -16.566 1.00 65.03 N +ATOM 2178 N ASP A 950 76.711 15.265 -10.692 1.00 38.69 N +ATOM 2179 CA ASP A 950 76.569 15.917 -9.387 1.00 39.81 C +ATOM 2180 C ASP A 950 75.123 16.422 -9.286 1.00 38.35 C +ATOM 2181 O ASP A 950 74.862 17.626 -9.216 1.00 39.67 O +ATOM 2182 CB ASP A 950 77.544 17.083 -9.248 1.00 44.11 C +ATOM 2183 CG ASP A 950 77.623 17.609 -7.816 1.00 49.91 C +ATOM 2184 OD1 ASP A 950 78.385 18.582 -7.578 1.00 53.35 O +ATOM 2185 OD2 ASP A 950 76.924 17.049 -6.930 1.00 50.90 O +ATOM 2186 N PRO A 951 74.163 15.486 -9.247 1.00 35.49 N +ATOM 2187 CA PRO A 951 72.722 15.735 -9.171 1.00 33.32 C +ATOM 2188 C PRO A 951 72.232 16.782 -8.174 1.00 31.88 C +ATOM 2189 O PRO A 951 71.356 17.588 -8.482 1.00 30.31 O +ATOM 2190 CB PRO A 951 72.153 14.346 -8.859 1.00 32.39 C +ATOM 2191 CG PRO A 951 73.174 13.418 -9.400 1.00 31.81 C +ATOM 2192 CD PRO A 951 74.445 14.067 -8.971 1.00 33.11 C +ATOM 2193 N GLN A 952 72.782 16.762 -6.972 1.00 32.62 N +ATOM 2194 CA GLN A 952 72.321 17.682 -5.960 1.00 33.11 C +ATOM 2195 C GLN A 952 72.747 19.109 -6.227 1.00 32.84 C +ATOM 2196 O GLN A 952 72.265 20.037 -5.585 1.00 32.93 O +ATOM 2197 CB GLN A 952 72.780 17.214 -4.586 1.00 35.73 C +ATOM 2198 CG GLN A 952 72.486 15.747 -4.320 1.00 39.61 C +ATOM 2199 CD GLN A 952 71.982 15.501 -2.908 1.00 44.19 C +ATOM 2200 OE1 GLN A 952 72.277 16.269 -1.984 1.00 46.29 O +ATOM 2201 NE2 GLN A 952 71.229 14.416 -2.728 1.00 45.36 N +ATOM 2202 N ARG A 953 73.637 19.295 -7.189 1.00 32.31 N +ATOM 2203 CA ARG A 953 74.069 20.642 -7.523 1.00 31.92 C +ATOM 2204 C ARG A 953 73.076 21.314 -8.480 1.00 31.16 C +ATOM 2205 O ARG A 953 73.004 22.539 -8.540 1.00 30.44 O +ATOM 2206 CB ARG A 953 75.459 20.602 -8.161 1.00 34.56 C +ATOM 2207 CG ARG A 953 76.001 21.956 -8.579 1.00 38.55 C +ATOM 2208 CD ARG A 953 77.433 21.849 -9.071 1.00 42.31 C +ATOM 2209 NE ARG A 953 77.803 22.998 -9.896 1.00 47.48 N +ATOM 2210 CZ ARG A 953 78.959 23.111 -10.546 1.00 49.19 C +ATOM 2211 NH1 ARG A 953 79.215 24.188 -11.279 1.00 49.63 N +ATOM 2212 NH2 ARG A 953 79.865 22.147 -10.456 1.00 51.14 N +ATOM 2213 N TYR A 954 72.300 20.513 -9.211 1.00 30.87 N +ATOM 2214 CA TYR A 954 71.348 21.047 -10.179 1.00 30.86 C +ATOM 2215 C TYR A 954 69.881 20.852 -9.860 1.00 32.98 C +ATOM 2216 O TYR A 954 69.021 21.459 -10.496 1.00 35.91 O +ATOM 2217 CB TYR A 954 71.639 20.483 -11.563 1.00 28.30 C +ATOM 2218 CG TYR A 954 73.063 20.709 -11.973 1.00 26.60 C +ATOM 2219 CD1 TYR A 954 74.039 19.733 -11.752 1.00 25.56 C +ATOM 2220 CD2 TYR A 954 73.454 21.928 -12.513 1.00 25.53 C +ATOM 2221 CE1 TYR A 954 75.379 19.974 -12.059 1.00 28.00 C +ATOM 2222 CE2 TYR A 954 74.776 22.183 -12.819 1.00 28.61 C +ATOM 2223 CZ TYR A 954 75.743 21.209 -12.595 1.00 29.08 C +ATOM 2224 OH TYR A 954 77.063 21.485 -12.915 1.00 27.97 O +ATOM 2225 N LEU A 955 69.577 19.997 -8.899 1.00 32.92 N +ATOM 2226 CA LEU A 955 68.188 19.814 -8.517 1.00 33.31 C +ATOM 2227 C LEU A 955 68.147 19.794 -6.998 1.00 34.86 C +ATOM 2228 O LEU A 955 68.866 19.028 -6.347 1.00 34.93 O +ATOM 2229 CB LEU A 955 67.611 18.524 -9.123 1.00 33.11 C +ATOM 2230 CG LEU A 955 67.391 18.543 -10.647 1.00 29.83 C +ATOM 2231 CD1 LEU A 955 66.871 17.214 -11.112 1.00 28.47 C +ATOM 2232 CD2 LEU A 955 66.413 19.628 -11.018 1.00 27.99 C +ATOM 2233 N VAL A 956 67.326 20.670 -6.436 1.00 34.76 N +ATOM 2234 CA VAL A 956 67.209 20.773 -4.996 1.00 35.58 C +ATOM 2235 C VAL A 956 65.898 20.109 -4.588 1.00 37.64 C +ATOM 2236 O VAL A 956 64.819 20.663 -4.774 1.00 39.09 O +ATOM 2237 CB VAL A 956 67.252 22.268 -4.560 1.00 34.30 C +ATOM 2238 CG1 VAL A 956 67.476 22.389 -3.071 1.00 30.80 C +ATOM 2239 CG2 VAL A 956 68.363 22.985 -5.296 1.00 32.47 C +ATOM 2240 N ILE A 957 66.007 18.903 -4.051 1.00 40.41 N +ATOM 2241 CA ILE A 957 64.854 18.124 -3.619 1.00 43.65 C +ATOM 2242 C ILE A 957 65.018 17.799 -2.141 1.00 47.91 C +ATOM 2243 O ILE A 957 66.040 17.251 -1.725 1.00 48.92 O +ATOM 2244 CB ILE A 957 64.761 16.806 -4.416 1.00 42.05 C +ATOM 2245 CG1 ILE A 957 64.455 17.104 -5.881 1.00 40.16 C +ATOM 2246 CG2 ILE A 957 63.713 15.895 -3.810 1.00 42.10 C +ATOM 2247 CD1 ILE A 957 64.456 15.870 -6.750 1.00 40.61 C +ATOM 2248 N GLN A 958 64.007 18.130 -1.349 1.00 52.86 N +ATOM 2249 CA GLN A 958 64.067 17.884 0.082 1.00 58.02 C +ATOM 2250 C GLN A 958 64.272 16.414 0.439 1.00 59.28 C +ATOM 2251 O GLN A 958 63.537 15.538 -0.013 1.00 59.60 O +ATOM 2252 CB GLN A 958 62.802 18.420 0.750 1.00 61.89 C +ATOM 2253 CG GLN A 958 62.747 18.167 2.249 1.00 69.38 C +ATOM 2254 CD GLN A 958 61.736 19.054 2.964 1.00 73.45 C +ATOM 2255 OE1 GLN A 958 61.441 18.849 4.147 1.00 75.85 O +ATOM 2256 NE2 GLN A 958 61.208 20.054 2.253 1.00 73.89 N +ATOM 2257 N GLY A 959 65.287 16.152 1.253 1.00 61.30 N +ATOM 2258 CA GLY A 959 65.571 14.789 1.664 1.00 64.64 C +ATOM 2259 C GLY A 959 66.059 13.925 0.522 1.00 66.60 C +ATOM 2260 O GLY A 959 66.011 12.699 0.584 1.00 65.77 O +ATOM 2261 N ASP A 960 66.544 14.585 -0.521 1.00 69.79 N +ATOM 2262 CA ASP A 960 67.042 13.927 -1.720 1.00 72.91 C +ATOM 2263 C ASP A 960 67.890 12.684 -1.450 1.00 74.79 C +ATOM 2264 O ASP A 960 67.513 11.569 -1.799 1.00 75.11 O +ATOM 2265 CB ASP A 960 67.863 14.924 -2.537 1.00 72.99 C +ATOM 2266 CG ASP A 960 68.174 14.421 -3.925 1.00 73.05 C +ATOM 2267 OD1 ASP A 960 68.450 13.212 -4.075 1.00 72.65 O +ATOM 2268 OD2 ASP A 960 68.155 15.242 -4.867 1.00 73.73 O +ATOM 2269 N GLU A 961 69.044 12.893 -0.837 1.00 77.76 N +ATOM 2270 CA GLU A 961 69.978 11.816 -0.535 1.00 81.03 C +ATOM 2271 C GLU A 961 69.415 10.567 0.164 1.00 82.51 C +ATOM 2272 O GLU A 961 70.045 9.506 0.133 1.00 83.33 O +ATOM 2273 CB GLU A 961 71.144 12.388 0.285 1.00 81.74 C +ATOM 2274 CG GLU A 961 70.921 13.818 0.796 1.00 84.09 C +ATOM 2275 CD GLU A 961 69.849 13.924 1.883 1.00 85.92 C +ATOM 2276 OE1 GLU A 961 69.473 15.067 2.241 1.00 86.31 O +ATOM 2277 OE2 GLU A 961 69.392 12.874 2.388 1.00 86.42 O +ATOM 2278 N ARG A 962 68.236 10.674 0.774 1.00 83.50 N +ATOM 2279 CA ARG A 962 67.648 9.540 1.500 1.00 83.83 C +ATOM 2280 C ARG A 962 66.466 8.832 0.824 1.00 83.95 C +ATOM 2281 O ARG A 962 65.627 8.243 1.507 1.00 83.16 O +ATOM 2282 CB ARG A 962 67.236 9.997 2.908 1.00 83.51 C +ATOM 2283 N MET A 963 66.409 8.864 -0.504 1.00 84.67 N +ATOM 2284 CA MET A 963 65.304 8.236 -1.226 1.00 85.35 C +ATOM 2285 C MET A 963 65.690 6.926 -1.907 1.00 86.90 C +ATOM 2286 O MET A 963 66.814 6.770 -2.387 1.00 86.79 O +ATOM 2287 CB MET A 963 64.740 9.215 -2.256 1.00 83.13 C +ATOM 2288 CG MET A 963 64.361 10.548 -1.651 1.00 80.85 C +ATOM 2289 SD MET A 963 63.703 11.707 -2.839 1.00 79.51 S +ATOM 2290 CE MET A 963 62.165 12.173 -2.060 1.00 79.96 C +ATOM 2291 N HIS A 964 64.739 5.993 -1.956 1.00 88.69 N +ATOM 2292 CA HIS A 964 64.970 4.682 -2.559 1.00 90.12 C +ATOM 2293 C HIS A 964 63.834 4.197 -3.467 1.00 89.65 C +ATOM 2294 O HIS A 964 62.660 4.213 -3.082 1.00 89.15 O +ATOM 2295 CB HIS A 964 65.218 3.647 -1.455 1.00 92.10 C +ATOM 2296 CG HIS A 964 65.488 2.268 -1.969 1.00 94.98 C +ATOM 2297 ND1 HIS A 964 66.457 2.003 -2.914 1.00 96.25 N +ATOM 2298 CD2 HIS A 964 64.916 1.078 -1.671 1.00 95.85 C +ATOM 2299 CE1 HIS A 964 66.469 0.708 -3.177 1.00 97.13 C +ATOM 2300 NE2 HIS A 964 65.543 0.124 -2.436 1.00 96.81 N +ATOM 2301 N LEU A 965 64.205 3.761 -4.671 1.00 88.86 N +ATOM 2302 CA LEU A 965 63.252 3.252 -5.658 1.00 86.96 C +ATOM 2303 C LEU A 965 63.633 1.847 -6.120 1.00 86.58 C +ATOM 2304 O LEU A 965 64.815 1.500 -6.174 1.00 86.37 O +ATOM 2305 CB LEU A 965 63.189 4.177 -6.875 1.00 85.12 C +ATOM 2306 CG LEU A 965 62.489 5.521 -6.687 1.00 84.44 C +ATOM 2307 CD1 LEU A 965 62.500 6.280 -8.006 1.00 83.14 C +ATOM 2308 CD2 LEU A 965 61.060 5.295 -6.198 1.00 83.38 C +ATOM 2309 N PRO A 966 62.627 1.025 -6.466 1.00 86.27 N +ATOM 2310 CA PRO A 966 62.820 -0.355 -6.929 1.00 85.62 C +ATOM 2311 C PRO A 966 63.910 -0.491 -7.994 1.00 84.60 C +ATOM 2312 O PRO A 966 64.675 -1.457 -7.995 1.00 83.35 O +ATOM 2313 CB PRO A 966 61.439 -0.730 -7.459 1.00 85.57 C +ATOM 2314 CG PRO A 966 60.523 0.027 -6.544 1.00 85.13 C +ATOM 2315 CD PRO A 966 61.194 1.380 -6.462 1.00 85.90 C +ATOM 2316 N ASP A 982 54.955 -20.197 -13.886 1.00 99.65 N +ATOM 2317 CA ASP A 982 56.260 -19.945 -13.284 1.00 99.58 C +ATOM 2318 C ASP A 982 57.008 -18.825 -13.985 1.00 98.27 C +ATOM 2319 O ASP A 982 56.495 -18.198 -14.913 1.00 98.19 O +ATOM 2320 CB ASP A 982 57.118 -21.209 -13.315 1.00101.65 C +ATOM 2321 CG ASP A 982 56.568 -22.303 -12.429 1.00104.42 C +ATOM 2322 OD1 ASP A 982 56.489 -22.086 -11.199 1.00106.48 O +ATOM 2323 OD2 ASP A 982 56.209 -23.376 -12.960 1.00105.52 O +ATOM 2324 N MET A 983 58.229 -18.580 -13.528 1.00 96.06 N +ATOM 2325 CA MET A 983 59.060 -17.538 -14.099 1.00 94.06 C +ATOM 2326 C MET A 983 60.503 -18.001 -14.069 1.00 90.71 C +ATOM 2327 O MET A 983 61.431 -17.204 -13.935 1.00 90.61 O +ATOM 2328 CB MET A 983 58.904 -16.237 -13.306 1.00 96.72 C +ATOM 2329 CG MET A 983 57.496 -15.654 -13.342 1.00100.16 C +ATOM 2330 SD MET A 983 57.369 -14.063 -12.479 1.00105.96 S +ATOM 2331 CE MET A 983 57.464 -12.894 -13.870 1.00104.21 C +ATOM 2332 N ASP A 984 60.685 -19.306 -14.198 1.00 86.89 N +ATOM 2333 CA ASP A 984 62.019 -19.873 -14.178 1.00 82.81 C +ATOM 2334 C ASP A 984 62.724 -19.618 -15.500 1.00 78.86 C +ATOM 2335 O ASP A 984 63.933 -19.400 -15.530 1.00 78.79 O +ATOM 2336 CB ASP A 984 61.943 -21.375 -13.898 1.00 84.76 C +ATOM 2337 CG ASP A 984 63.304 -21.992 -13.651 1.00 86.26 C +ATOM 2338 OD1 ASP A 984 64.120 -22.026 -14.599 1.00 88.47 O +ATOM 2339 OD2 ASP A 984 63.560 -22.437 -12.509 1.00 86.26 O +ATOM 2340 N ASP A 985 61.971 -19.638 -16.593 1.00 74.10 N +ATOM 2341 CA ASP A 985 62.565 -19.404 -17.902 1.00 69.32 C +ATOM 2342 C ASP A 985 62.210 -18.052 -18.486 1.00 64.74 C +ATOM 2343 O ASP A 985 62.238 -17.869 -19.698 1.00 63.05 O +ATOM 2344 CB ASP A 985 62.164 -20.505 -18.880 1.00 72.53 C +ATOM 2345 CG ASP A 985 62.926 -21.799 -18.644 1.00 75.46 C +ATOM 2346 OD1 ASP A 985 64.177 -21.780 -18.709 1.00 76.44 O +ATOM 2347 OD2 ASP A 985 62.275 -22.837 -18.394 1.00 77.32 O +ATOM 2348 N VAL A 986 61.876 -17.104 -17.618 1.00 60.13 N +ATOM 2349 CA VAL A 986 61.543 -15.761 -18.063 1.00 55.35 C +ATOM 2350 C VAL A 986 62.799 -14.989 -18.442 1.00 53.54 C +ATOM 2351 O VAL A 986 63.807 -14.997 -17.726 1.00 52.32 O +ATOM 2352 CB VAL A 986 60.803 -14.979 -16.985 1.00 54.11 C +ATOM 2353 CG1 VAL A 986 60.554 -13.559 -17.459 1.00 52.30 C +ATOM 2354 CG2 VAL A 986 59.500 -15.668 -16.673 1.00 54.27 C +ATOM 2355 N VAL A 987 62.716 -14.319 -19.581 1.00 51.61 N +ATOM 2356 CA VAL A 987 63.817 -13.537 -20.115 1.00 50.28 C +ATOM 2357 C VAL A 987 63.213 -12.230 -20.594 1.00 48.48 C +ATOM 2358 O VAL A 987 62.124 -12.224 -21.152 1.00 49.52 O +ATOM 2359 CB VAL A 987 64.471 -14.271 -21.312 1.00 51.16 C +ATOM 2360 CG1 VAL A 987 65.653 -13.489 -21.827 1.00 52.84 C +ATOM 2361 CG2 VAL A 987 64.912 -15.659 -20.887 1.00 51.87 C +ATOM 2362 N ASP A 988 63.902 -11.121 -20.361 1.00 47.65 N +ATOM 2363 CA ASP A 988 63.391 -9.831 -20.795 1.00 46.60 C +ATOM 2364 C ASP A 988 63.535 -9.747 -22.301 1.00 45.25 C +ATOM 2365 O ASP A 988 64.452 -10.330 -22.875 1.00 43.61 O +ATOM 2366 CB ASP A 988 64.175 -8.695 -20.147 1.00 50.05 C +ATOM 2367 CG ASP A 988 63.662 -7.330 -20.559 1.00 54.31 C +ATOM 2368 OD1 ASP A 988 62.513 -6.986 -20.205 1.00 59.79 O +ATOM 2369 OD2 ASP A 988 64.400 -6.594 -21.243 1.00 56.92 O +ATOM 2370 N ALA A 989 62.628 -9.025 -22.946 1.00 44.23 N +ATOM 2371 CA ALA A 989 62.679 -8.887 -24.395 1.00 43.44 C +ATOM 2372 C ALA A 989 64.032 -8.355 -24.828 1.00 42.50 C +ATOM 2373 O ALA A 989 64.515 -8.690 -25.902 1.00 42.29 O +ATOM 2374 CB ALA A 989 61.575 -7.955 -24.876 1.00 44.04 C +ATOM 2375 N ASP A 990 64.643 -7.529 -23.989 1.00 42.45 N +ATOM 2376 CA ASP A 990 65.936 -6.959 -24.318 1.00 43.83 C +ATOM 2377 C ASP A 990 67.032 -8.007 -24.398 1.00 44.51 C +ATOM 2378 O ASP A 990 68.112 -7.731 -24.909 1.00 46.53 O +ATOM 2379 CB ASP A 990 66.323 -5.868 -23.312 1.00 45.12 C +ATOM 2380 CG ASP A 990 65.485 -4.597 -23.469 1.00 49.06 C +ATOM 2381 OD1 ASP A 990 65.222 -4.203 -24.628 1.00 52.29 O +ATOM 2382 OD2 ASP A 990 65.100 -3.982 -22.446 1.00 48.12 O +ATOM 2383 N GLU A 991 66.759 -9.209 -23.901 1.00 45.30 N +ATOM 2384 CA GLU A 991 67.743 -10.288 -23.945 1.00 45.75 C +ATOM 2385 C GLU A 991 67.396 -11.357 -24.977 1.00 45.95 C +ATOM 2386 O GLU A 991 68.157 -12.297 -25.173 1.00 46.94 O +ATOM 2387 CB GLU A 991 67.885 -10.955 -22.578 1.00 48.51 C +ATOM 2388 CG GLU A 991 68.788 -10.242 -21.584 1.00 52.88 C +ATOM 2389 CD GLU A 991 68.289 -8.865 -21.212 1.00 56.44 C +ATOM 2390 OE1 GLU A 991 68.467 -7.936 -22.021 1.00 59.53 O +ATOM 2391 OE2 GLU A 991 67.712 -8.708 -20.112 1.00 59.23 O +ATOM 2392 N TYR A 992 66.237 -11.231 -25.614 1.00 45.92 N +ATOM 2393 CA TYR A 992 65.826 -12.182 -26.636 1.00 46.83 C +ATOM 2394 C TYR A 992 66.141 -11.505 -27.959 1.00 49.19 C +ATOM 2395 O TYR A 992 65.557 -10.473 -28.288 1.00 49.45 O +ATOM 2396 CB TYR A 992 64.327 -12.481 -26.525 1.00 46.66 C +ATOM 2397 CG TYR A 992 63.877 -13.611 -27.423 1.00 48.64 C +ATOM 2398 CD1 TYR A 992 63.038 -13.374 -28.508 1.00 49.28 C +ATOM 2399 CD2 TYR A 992 64.328 -14.916 -27.213 1.00 49.52 C +ATOM 2400 CE1 TYR A 992 62.660 -14.400 -29.363 1.00 49.52 C +ATOM 2401 CE2 TYR A 992 63.957 -15.952 -28.061 1.00 50.26 C +ATOM 2402 CZ TYR A 992 63.122 -15.683 -29.135 1.00 51.46 C +ATOM 2403 OH TYR A 992 62.744 -16.696 -29.986 1.00 55.29 O +ATOM 2404 N LEU A 993 67.065 -12.072 -28.723 1.00 52.28 N +ATOM 2405 CA LEU A 993 67.449 -11.439 -29.976 1.00 55.87 C +ATOM 2406 C LEU A 993 67.328 -12.311 -31.217 1.00 59.58 C +ATOM 2407 O LEU A 993 68.114 -13.235 -31.419 1.00 60.74 O +ATOM 2408 CB LEU A 993 68.876 -10.894 -29.847 1.00 53.22 C +ATOM 2409 CG LEU A 993 69.075 -10.003 -28.609 1.00 51.78 C +ATOM 2410 CD1 LEU A 993 70.536 -9.694 -28.401 1.00 49.49 C +ATOM 2411 CD2 LEU A 993 68.270 -8.731 -28.766 1.00 50.80 C +ATOM 2412 N ILE A 994 66.328 -11.983 -32.036 1.00 64.15 N +ATOM 2413 CA ILE A 994 66.005 -12.649 -33.303 1.00 66.90 C +ATOM 2414 C ILE A 994 66.160 -14.184 -33.357 1.00 69.36 C +ATOM 2415 O ILE A 994 66.974 -14.694 -34.173 1.00 69.43 O +ATOM 2416 CB ILE A 994 66.801 -11.992 -34.478 1.00 67.17 C +ATOM 2417 CG1 ILE A 994 68.278 -12.401 -34.454 1.00 67.69 C +ATOM 2418 CG2 ILE A 994 66.717 -10.478 -34.355 1.00 66.56 C +ATOM 2419 CD1 ILE A 994 69.057 -11.959 -35.695 1.00 67.91 C +TER 2420 ILE A 994 +END diff --git a/bench/main_benchmark/structures/SFB_AL_EGFR_2GS2A_1XKKA/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_EGFR_2GS2A_1XKKA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9932ab1ea2802b2f1383f8faee70dfdf71d03e00 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_EGFR_2GS2A_1XKKA/state_b.pdb @@ -0,0 +1,2251 @@ +ATOM 1 N ALA A 702 1.152 36.680 55.595 1.00 52.02 N +ATOM 2 CA ALA A 702 2.604 36.822 55.923 1.00 52.96 C +ATOM 3 C ALA A 702 3.382 37.308 54.707 1.00 52.45 C +ATOM 4 O ALA A 702 3.324 36.693 53.642 1.00 53.96 O +ATOM 5 CB ALA A 702 3.167 35.487 56.399 1.00 52.84 C +ATOM 6 N LEU A 703 4.112 38.406 54.867 1.00 51.57 N +ATOM 7 CA LEU A 703 4.890 38.960 53.767 1.00 50.49 C +ATOM 8 C LEU A 703 5.965 37.984 53.277 1.00 48.67 C +ATOM 9 O LEU A 703 6.134 37.793 52.072 1.00 48.62 O +ATOM 10 CB LEU A 703 5.523 40.285 54.194 1.00 52.93 C +ATOM 11 CG LEU A 703 6.164 40.965 52.978 1.00 54.94 C +ATOM 12 CD1 LEU A 703 5.183 41.015 51.804 1.00 55.29 C +ATOM 13 CD2 LEU A 703 6.598 42.368 53.375 1.00 55.42 C +ATOM 14 N LEU A 704 6.682 37.364 54.209 1.00 46.63 N +ATOM 15 CA LEU A 704 7.722 36.396 53.856 1.00 45.21 C +ATOM 16 C LEU A 704 7.270 35.005 54.290 1.00 44.55 C +ATOM 17 O LEU A 704 7.476 34.607 55.433 1.00 42.95 O +ATOM 18 CB LEU A 704 9.047 36.757 54.544 1.00 44.58 C +ATOM 19 CG LEU A 704 10.135 35.733 54.180 1.00 44.04 C +ATOM 20 CD1 LEU A 704 10.319 35.655 52.679 1.00 43.88 C +ATOM 21 CD2 LEU A 704 11.438 36.128 54.837 1.00 42.90 C +ATOM 22 N ARG A 705 6.653 34.270 53.370 1.00 45.21 N +ATOM 23 CA ARG A 705 6.161 32.933 53.672 1.00 46.36 C +ATOM 24 C ARG A 705 7.272 31.941 54.003 1.00 46.23 C +ATOM 25 O ARG A 705 8.259 31.828 53.279 1.00 44.21 O +ATOM 26 CB ARG A 705 5.335 32.384 52.505 1.00 48.13 C +ATOM 27 CG ARG A 705 4.221 33.350 52.165 1.00 51.95 C +ATOM 28 CD ARG A 705 3.153 32.630 51.345 1.00 56.05 C +ATOM 29 NE ARG A 705 2.627 31.510 52.126 1.00 58.54 N +ATOM 30 CZ ARG A 705 1.516 30.836 51.832 1.00 60.04 C +ATOM 31 NH1 ARG A 705 0.790 31.161 50.766 1.00 59.57 N +ATOM 32 NH2 ARG A 705 1.132 29.830 52.609 1.00 60.10 N +ATOM 33 N ILE A 706 7.093 31.231 55.114 1.00 47.06 N +ATOM 34 CA ILE A 706 8.037 30.221 55.572 1.00 47.23 C +ATOM 35 C ILE A 706 7.538 28.883 55.024 1.00 48.99 C +ATOM 36 O ILE A 706 6.784 28.184 55.693 1.00 50.43 O +ATOM 37 CB ILE A 706 8.041 30.143 57.100 1.00 45.92 C +ATOM 38 CG1 ILE A 706 8.267 31.536 57.695 1.00 44.95 C +ATOM 39 CG2 ILE A 706 9.089 29.141 57.564 1.00 45.08 C +ATOM 40 CD1 ILE A 706 9.617 32.081 57.279 1.00 45.37 C +ATOM 41 N LEU A 707 7.951 28.529 53.811 1.00 49.60 N +ATOM 42 CA LEU A 707 7.501 27.285 53.195 1.00 50.77 C +ATOM 43 C LEU A 707 8.082 26.016 53.819 1.00 51.95 C +ATOM 44 O LEU A 707 9.248 25.974 54.219 1.00 51.95 O +ATOM 45 CB LEU A 707 7.820 27.282 51.693 1.00 50.41 C +ATOM 46 CG LEU A 707 7.173 28.478 50.982 1.00 50.61 C +ATOM 47 CD1 LEU A 707 7.383 28.298 49.489 1.00 50.20 C +ATOM 48 CD2 LEU A 707 5.682 28.576 51.285 1.00 49.81 C +ATOM 49 N LYS A 708 7.245 24.985 53.895 1.00 53.60 N +ATOM 50 CA LYS A 708 7.632 23.682 54.431 1.00 55.48 C +ATOM 51 C LYS A 708 8.215 22.884 53.267 1.00 55.79 C +ATOM 52 O LYS A 708 7.698 22.930 52.149 1.00 55.67 O +ATOM 53 CB LYS A 708 6.407 22.947 54.990 1.00 56.80 C +ATOM 54 CG LYS A 708 5.783 23.775 56.099 1.00 58.35 C +ATOM 55 CD LYS A 708 4.319 23.400 56.265 1.00 58.62 C +ATOM 56 CE LYS A 708 3.643 24.430 57.170 1.00 59.43 C +ATOM 57 NZ LYS A 708 2.166 24.212 57.173 1.00 60.76 N +ATOM 58 N GLU A 709 9.285 22.151 53.539 1.00 56.43 N +ATOM 59 CA GLU A 709 9.964 21.356 52.524 1.00 57.55 C +ATOM 60 C GLU A 709 9.040 20.552 51.602 1.00 57.03 C +ATOM 61 O GLU A 709 9.410 20.234 50.470 1.00 56.85 O +ATOM 62 CB GLU A 709 10.957 20.420 53.208 1.00 58.81 C +ATOM 63 CG GLU A 709 12.012 19.995 52.219 1.00 62.65 C +ATOM 64 CD GLU A 709 13.197 19.437 52.979 1.00 64.85 C +ATOM 65 OE1 GLU A 709 14.199 19.065 52.332 1.00 66.62 O +ATOM 66 OE2 GLU A 709 13.128 19.372 54.226 1.00 66.06 O +ATOM 67 N THR A 710 7.840 20.235 52.078 1.00 56.52 N +ATOM 68 CA THR A 710 6.882 19.463 51.289 1.00 56.00 C +ATOM 69 C THR A 710 5.989 20.328 50.401 1.00 55.33 C +ATOM 70 O THR A 710 5.271 19.812 49.549 1.00 55.09 O +ATOM 71 CB THR A 710 5.958 18.639 52.200 1.00 56.71 C +ATOM 72 OG1 THR A 710 5.107 19.529 52.936 1.00 57.99 O +ATOM 73 CG2 THR A 710 6.773 17.803 53.180 1.00 56.33 C +ATOM 74 N GLU A 711 6.034 21.641 50.596 1.00 55.00 N +ATOM 75 CA GLU A 711 5.192 22.545 49.818 1.00 54.93 C +ATOM 76 C GLU A 711 5.659 22.820 48.388 1.00 53.78 C +ATOM 77 O GLU A 711 4.848 23.145 47.517 1.00 53.59 O +ATOM 78 CB GLU A 711 5.029 23.872 50.564 1.00 55.96 C +ATOM 79 CG GLU A 711 4.382 23.614 51.918 1.00 57.29 C +ATOM 80 CD GLU A 711 4.148 24.933 52.631 1.00 57.81 C +ATOM 81 OE1 GLU A 711 3.375 25.766 52.108 1.00 58.85 O +ATOM 82 OE2 GLU A 711 4.735 25.140 53.714 1.00 58.25 O +ATOM 83 N PHE A 712 6.958 22.697 48.145 1.00 51.80 N +ATOM 84 CA PHE A 712 7.490 22.946 46.811 1.00 49.86 C +ATOM 85 C PHE A 712 8.414 21.829 46.367 1.00 49.02 C +ATOM 86 O PHE A 712 8.873 21.028 47.174 1.00 48.20 O +ATOM 87 CB PHE A 712 8.244 24.282 46.761 1.00 48.57 C +ATOM 88 CG PHE A 712 9.392 24.276 47.735 1.00 47.10 C +ATOM 89 CD1 PHE A 712 9.172 24.473 49.099 1.00 46.71 C +ATOM 90 CD2 PHE A 712 10.694 24.068 47.291 1.00 46.11 C +ATOM 91 CE1 PHE A 712 10.232 24.463 50.006 1.00 45.66 C +ATOM 92 CE2 PHE A 712 11.759 24.056 48.187 1.00 46.17 C +ATOM 93 CZ PHE A 712 11.526 24.254 49.548 1.00 47.03 C +ATOM 94 N LYS A 713 8.690 21.786 45.072 1.00 48.69 N +ATOM 95 CA LYS A 713 9.557 20.761 44.527 1.00 48.30 C +ATOM 96 C LYS A 713 10.410 21.291 43.385 1.00 47.61 C +ATOM 97 O LYS A 713 9.910 21.947 42.469 1.00 47.18 O +ATOM 98 CB LYS A 713 8.720 19.577 44.048 1.00 49.03 C +ATOM 99 N LYS A 714 11.707 21.009 43.460 1.00 46.87 N +ATOM 100 CA LYS A 714 12.645 21.404 42.425 1.00 45.79 C +ATOM 101 C LYS A 714 12.513 20.324 41.356 1.00 46.24 C +ATOM 102 O LYS A 714 12.602 19.136 41.667 1.00 47.80 O +ATOM 103 CB LYS A 714 14.067 21.435 42.993 1.00 44.60 C +ATOM 104 CG LYS A 714 14.101 22.436 44.150 1.00 45.49 C +ATOM 105 CD LYS A 714 15.535 22.746 44.554 1.00 44.15 C +ATOM 106 CE LYS A 714 16.125 21.591 45.347 1.00 45.67 C +ATOM 107 NZ LYS A 714 15.570 21.604 46.734 1.00 45.32 N +ATOM 108 N ILE A 715 12.273 20.725 40.110 1.00 45.45 N +ATOM 109 CA ILE A 715 12.121 19.760 39.028 1.00 45.17 C +ATOM 110 C ILE A 715 13.279 19.728 38.025 1.00 45.17 C +ATOM 111 O ILE A 715 13.715 18.649 37.612 1.00 45.63 O +ATOM 112 CB ILE A 715 10.814 19.992 38.259 1.00 45.02 C +ATOM 113 CG1 ILE A 715 9.632 19.949 39.235 1.00 46.99 C +ATOM 114 CG2 ILE A 715 10.664 18.925 37.182 1.00 45.12 C +ATOM 115 CD1 ILE A 715 8.321 20.136 38.487 1.00 47.73 C +ATOM 116 N LYS A 716 13.769 20.899 37.626 1.00 43.44 N +ATOM 117 CA LYS A 716 14.880 20.975 36.684 1.00 42.18 C +ATOM 118 C LYS A 716 15.861 22.034 37.154 1.00 40.50 C +ATOM 119 O LYS A 716 15.539 22.837 38.022 1.00 40.91 O +ATOM 120 CB LYS A 716 14.379 21.356 35.290 1.00 42.66 C +ATOM 121 CG LYS A 716 13.264 20.432 34.851 1.00 44.43 C +ATOM 122 CD LYS A 716 13.819 19.071 34.450 1.00 46.68 C +ATOM 123 CE LYS A 716 12.712 18.287 33.749 1.00 47.11 C +ATOM 124 NZ LYS A 716 13.232 16.967 33.310 1.00 47.79 N +ATOM 125 N VAL A 717 17.054 22.032 36.572 1.00 39.47 N +ATOM 126 CA VAL A 717 18.082 23.011 36.907 1.00 37.75 C +ATOM 127 C VAL A 717 18.059 24.154 35.901 1.00 38.36 C +ATOM 128 O VAL A 717 18.094 23.922 34.691 1.00 37.31 O +ATOM 129 CB VAL A 717 19.501 22.401 36.849 1.00 37.50 C +ATOM 130 CG1 VAL A 717 20.548 23.508 36.984 1.00 35.97 C +ATOM 131 CG2 VAL A 717 19.676 21.363 37.937 1.00 37.50 C +ATOM 132 N LEU A 718 17.993 25.388 36.390 1.00 38.63 N +ATOM 133 CA LEU A 718 18.029 26.532 35.489 1.00 39.50 C +ATOM 134 C LEU A 718 19.510 26.836 35.259 1.00 40.76 C +ATOM 135 O LEU A 718 19.994 26.750 34.138 1.00 41.68 O +ATOM 136 CB LEU A 718 17.316 27.744 36.095 1.00 38.11 C +ATOM 137 CG LEU A 718 15.798 27.548 36.006 1.00 38.80 C +ATOM 138 CD1 LEU A 718 15.097 28.620 36.820 1.00 39.00 C +ATOM 139 CD2 LEU A 718 15.344 27.610 34.561 1.00 37.42 C +ATOM 140 N GLY A 719 20.232 27.161 36.325 1.00 42.03 N +ATOM 141 CA GLY A 719 21.646 27.446 36.189 1.00 45.32 C +ATOM 142 C GLY A 719 22.342 27.715 37.509 1.00 48.45 C +ATOM 143 O GLY A 719 21.695 27.882 38.539 1.00 47.84 O +ATOM 144 N SER A 720 23.670 27.756 37.481 1.00 52.06 N +ATOM 145 CA SER A 720 24.447 28.015 38.688 1.00 55.93 C +ATOM 146 C SER A 720 24.943 29.459 38.718 1.00 58.25 C +ATOM 147 O SER A 720 25.598 29.922 37.781 1.00 59.38 O +ATOM 148 CB SER A 720 25.643 27.066 38.759 1.00 57.27 C +ATOM 149 OG SER A 720 26.473 27.276 37.628 1.00 59.68 O +ATOM 150 N GLY A 721 24.623 30.170 39.796 1.00 59.79 N +ATOM 151 CA GLY A 721 25.055 31.549 39.922 1.00 61.34 C +ATOM 152 C GLY A 721 26.295 31.680 40.789 1.00 62.50 C +ATOM 153 O GLY A 721 26.986 30.691 41.055 1.00 62.69 O +ATOM 154 N ALA A 722 26.576 32.903 41.233 1.00 62.97 N +ATOM 155 CA ALA A 722 27.738 33.170 42.078 1.00 63.25 C +ATOM 156 C ALA A 722 27.385 33.064 43.557 1.00 62.84 C +ATOM 157 O ALA A 722 28.270 33.011 44.412 1.00 63.34 O +ATOM 158 CB ALA A 722 28.303 34.559 41.774 1.00 63.52 C +ATOM 159 N PHE A 723 26.091 33.042 43.859 1.00 62.02 N +ATOM 160 CA PHE A 723 25.643 32.940 45.242 1.00 61.01 C +ATOM 161 C PHE A 723 24.983 31.591 45.501 1.00 59.61 C +ATOM 162 O PHE A 723 24.890 31.145 46.650 1.00 60.35 O +ATOM 163 CB PHE A 723 24.662 34.071 45.579 1.00 62.32 C +ATOM 164 CG PHE A 723 25.343 35.409 45.428 1.00 62.48 C +ATOM 165 CD1 PHE A 723 25.180 36.161 44.270 1.00 62.42 C +ATOM 166 CD2 PHE A 723 26.153 35.912 46.442 1.00 62.56 C +ATOM 167 CE1 PHE A 723 25.811 37.396 44.124 1.00 62.74 C +ATOM 168 CE2 PHE A 723 26.790 37.144 46.308 1.00 62.61 C +ATOM 169 CZ PHE A 723 26.618 37.889 45.146 1.00 62.40 C +ATOM 170 N GLY A 724 24.533 30.945 44.427 1.00 56.70 N +ATOM 171 CA GLY A 724 23.890 29.651 44.556 1.00 52.11 C +ATOM 172 C GLY A 724 23.301 29.134 43.257 1.00 49.42 C +ATOM 173 O GLY A 724 23.360 29.795 42.219 1.00 50.03 O +ATOM 174 N THR A 725 22.726 27.940 43.324 1.00 46.51 N +ATOM 175 CA THR A 725 22.111 27.296 42.172 1.00 42.10 C +ATOM 176 C THR A 725 20.605 27.559 42.135 1.00 40.00 C +ATOM 177 O THR A 725 19.929 27.466 43.158 1.00 38.78 O +ATOM 178 CB THR A 725 22.348 25.774 42.214 1.00 41.58 C +ATOM 179 OG1 THR A 725 23.758 25.514 42.224 1.00 42.30 O +ATOM 180 CG2 THR A 725 21.722 25.100 41.012 1.00 40.87 C +ATOM 181 N VAL A 726 20.094 27.892 40.950 1.00 37.66 N +ATOM 182 CA VAL A 726 18.675 28.157 40.764 1.00 35.57 C +ATOM 183 C VAL A 726 18.009 27.010 40.018 1.00 35.88 C +ATOM 184 O VAL A 726 18.523 26.532 39.012 1.00 35.12 O +ATOM 185 CB VAL A 726 18.426 29.447 39.964 1.00 34.21 C +ATOM 186 CG1 VAL A 726 16.942 29.781 39.989 1.00 31.79 C +ATOM 187 CG2 VAL A 726 19.237 30.582 40.544 1.00 33.24 C +ATOM 188 N TYR A 727 16.851 26.598 40.528 1.00 36.17 N +ATOM 189 CA TYR A 727 16.058 25.505 39.986 1.00 36.51 C +ATOM 190 C TYR A 727 14.688 26.053 39.580 1.00 38.28 C +ATOM 191 O TYR A 727 14.236 27.073 40.101 1.00 37.48 O +ATOM 192 CB TYR A 727 15.803 24.447 41.073 1.00 37.06 C +ATOM 193 CG TYR A 727 17.069 23.805 41.588 1.00 38.29 C +ATOM 194 CD1 TYR A 727 17.560 22.638 41.012 1.00 39.38 C +ATOM 195 CD2 TYR A 727 17.744 24.329 42.689 1.00 39.44 C +ATOM 196 CE1 TYR A 727 18.681 21.999 41.515 1.00 40.47 C +ATOM 197 CE2 TYR A 727 18.873 23.699 43.205 1.00 41.50 C +ATOM 198 CZ TYR A 727 19.337 22.528 42.609 1.00 43.21 C +ATOM 199 OH TYR A 727 20.463 21.887 43.095 1.00 44.14 O +ATOM 200 N LYS A 728 14.019 25.371 38.661 1.00 37.94 N +ATOM 201 CA LYS A 728 12.684 25.792 38.279 1.00 39.70 C +ATOM 202 C LYS A 728 11.804 24.685 38.839 1.00 40.15 C +ATOM 203 O LYS A 728 12.192 23.518 38.836 1.00 39.10 O +ATOM 204 CB LYS A 728 12.525 25.880 36.758 1.00 40.79 C +ATOM 205 CG LYS A 728 12.411 24.499 36.168 1.00 43.25 C +ATOM 206 CD LYS A 728 11.830 24.593 34.774 1.00 48.07 C +ATOM 207 CE LYS A 728 11.291 23.223 34.379 1.00 50.97 C +ATOM 208 NZ LYS A 728 10.741 23.282 33.000 1.00 53.57 N +ATOM 209 N GLY A 729 10.634 25.042 39.341 1.00 40.29 N +ATOM 210 CA GLY A 729 9.772 24.021 39.889 1.00 40.70 C +ATOM 211 C GLY A 729 8.359 24.491 40.120 1.00 41.43 C +ATOM 212 O GLY A 729 7.905 25.482 39.547 1.00 40.03 O +ATOM 213 N LEU A 730 7.663 23.762 40.977 1.00 42.64 N +ATOM 214 CA LEU A 730 6.291 24.078 41.295 1.00 44.09 C +ATOM 215 C LEU A 730 6.117 24.280 42.782 1.00 44.58 C +ATOM 216 O LEU A 730 6.823 23.688 43.600 1.00 43.36 O +ATOM 217 CB LEU A 730 5.368 22.960 40.803 1.00 43.62 C +ATOM 218 CG LEU A 730 5.436 22.920 39.273 1.00 44.75 C +ATOM 219 CD1 LEU A 730 4.842 21.618 38.741 1.00 44.70 C +ATOM 220 CD2 LEU A 730 4.702 24.136 38.712 1.00 44.64 C +ATOM 221 N TRP A 731 5.179 25.153 43.117 1.00 45.47 N +ATOM 222 CA TRP A 731 4.867 25.443 44.495 1.00 46.59 C +ATOM 223 C TRP A 731 3.412 25.051 44.708 1.00 46.70 C +ATOM 224 O TRP A 731 2.513 25.529 44.011 1.00 46.31 O +ATOM 225 CB TRP A 731 5.089 26.929 44.785 1.00 46.80 C +ATOM 226 CG TRP A 731 4.615 27.263 46.165 1.00 48.47 C +ATOM 227 CD1 TRP A 731 4.646 26.456 47.271 1.00 48.82 C +ATOM 228 CD2 TRP A 731 4.072 28.515 46.601 1.00 48.83 C +ATOM 229 NE1 TRP A 731 4.155 27.129 48.364 1.00 47.94 N +ATOM 230 CE2 TRP A 731 3.797 28.394 47.982 1.00 48.41 C +ATOM 231 CE3 TRP A 731 3.794 29.729 45.957 1.00 49.24 C +ATOM 232 CZ2 TRP A 731 3.257 29.443 48.732 1.00 49.70 C +ATOM 233 CZ3 TRP A 731 3.257 30.773 46.704 1.00 50.26 C +ATOM 234 CH2 TRP A 731 2.994 30.621 48.079 1.00 50.06 C +ATOM 235 N ILE A 732 3.200 24.141 45.649 1.00 47.62 N +ATOM 236 CA ILE A 732 1.863 23.671 45.975 1.00 49.72 C +ATOM 237 C ILE A 732 1.578 24.125 47.402 1.00 49.49 C +ATOM 238 O ILE A 732 1.803 23.386 48.358 1.00 49.98 O +ATOM 239 CB ILE A 732 1.779 22.131 45.856 1.00 50.73 C +ATOM 240 CG1 ILE A 732 2.046 21.721 44.403 1.00 51.76 C +ATOM 241 CG2 ILE A 732 0.404 21.636 46.290 1.00 51.08 C +ATOM 242 CD1 ILE A 732 1.976 20.209 44.270 1.00 52.60 C +ATOM 243 N PRO A 733 1.076 25.363 47.554 1.00 50.06 N +ATOM 244 CA PRO A 733 0.742 25.999 48.834 1.00 51.00 C +ATOM 245 C PRO A 733 0.287 25.038 49.932 1.00 52.24 C +ATOM 246 O PRO A 733 -0.754 24.390 49.813 1.00 53.56 O +ATOM 247 CB PRO A 733 -0.338 26.985 48.434 1.00 50.78 C +ATOM 248 CG PRO A 733 0.020 27.415 47.071 1.00 50.36 C +ATOM 249 CD PRO A 733 0.470 26.105 46.427 1.00 49.79 C +ATOM 250 N VAL A 738 -3.721 24.161 43.923 1.00 59.83 N +ATOM 251 CA VAL A 738 -3.120 24.807 42.761 1.00 59.85 C +ATOM 252 C VAL A 738 -1.590 24.699 42.777 1.00 59.03 C +ATOM 253 O VAL A 738 -0.958 24.762 43.834 1.00 59.77 O +ATOM 254 CB VAL A 738 -3.514 26.301 42.697 1.00 60.28 C +ATOM 255 CG1 VAL A 738 -2.943 27.042 43.900 1.00 60.03 C +ATOM 256 CG2 VAL A 738 -3.022 26.915 41.395 1.00 60.93 C +ATOM 257 N LYS A 739 -1.006 24.519 41.598 1.00 57.54 N +ATOM 258 CA LYS A 739 0.444 24.410 41.458 1.00 55.10 C +ATOM 259 C LYS A 739 0.972 25.723 40.883 1.00 52.09 C +ATOM 260 O LYS A 739 0.496 26.189 39.846 1.00 52.51 O +ATOM 261 CB LYS A 739 0.795 23.257 40.517 1.00 56.83 C +ATOM 262 CG LYS A 739 0.218 21.968 41.065 1.00 59.69 C +ATOM 263 CD LYS A 739 0.432 20.849 40.053 1.00 62.31 C +ATOM 264 CE LYS A 739 -0.153 19.552 40.596 1.00 63.18 C +ATOM 265 NZ LYS A 739 0.028 18.463 39.590 1.00 64.50 N +ATOM 266 N ILE A 740 1.957 26.319 41.542 1.00 47.71 N +ATOM 267 CA ILE A 740 2.491 27.585 41.062 1.00 43.75 C +ATOM 268 C ILE A 740 3.939 27.496 40.588 1.00 41.28 C +ATOM 269 O ILE A 740 4.849 27.206 41.370 1.00 40.71 O +ATOM 270 CB ILE A 740 2.373 28.655 42.157 1.00 43.49 C +ATOM 271 CG1 ILE A 740 0.936 28.674 42.684 1.00 41.77 C +ATOM 272 CG2 ILE A 740 2.754 30.022 41.596 1.00 41.53 C +ATOM 273 CD1 ILE A 740 0.879 29.417 43.991 1.00 42.47 C +ATOM 274 N PRO A 741 4.168 27.739 39.287 1.00 38.74 N +ATOM 275 CA PRO A 741 5.510 27.689 38.704 1.00 38.15 C +ATOM 276 C PRO A 741 6.430 28.705 39.383 1.00 36.94 C +ATOM 277 O PRO A 741 6.160 29.903 39.393 1.00 36.18 O +ATOM 278 CB PRO A 741 5.247 27.998 37.240 1.00 38.03 C +ATOM 279 CG PRO A 741 4.019 28.771 37.201 1.00 38.68 C +ATOM 280 CD PRO A 741 3.172 28.104 38.266 1.00 39.48 C +ATOM 281 N VAL A 742 7.520 28.208 39.953 1.00 35.73 N +ATOM 282 CA VAL A 742 8.458 29.054 40.663 1.00 33.64 C +ATOM 283 C VAL A 742 9.923 28.744 40.374 1.00 33.33 C +ATOM 284 O VAL A 742 10.277 27.692 39.824 1.00 30.77 O +ATOM 285 CB VAL A 742 8.252 28.910 42.177 1.00 33.58 C +ATOM 286 CG1 VAL A 742 6.830 29.293 42.551 1.00 32.25 C +ATOM 287 CG2 VAL A 742 8.531 27.476 42.591 1.00 31.61 C +ATOM 288 N ALA A 743 10.771 29.694 40.752 1.00 32.66 N +ATOM 289 CA ALA A 743 12.208 29.544 40.619 1.00 30.90 C +ATOM 290 C ALA A 743 12.643 29.381 42.064 1.00 31.15 C +ATOM 291 O ALA A 743 12.170 30.099 42.954 1.00 30.73 O +ATOM 292 CB ALA A 743 12.830 30.784 40.004 1.00 31.39 C +ATOM 293 N ILE A 744 13.526 28.419 42.289 1.00 31.73 N +ATOM 294 CA ILE A 744 14.020 28.097 43.614 1.00 30.62 C +ATOM 295 C ILE A 744 15.539 28.256 43.667 1.00 32.58 C +ATOM 296 O ILE A 744 16.282 27.596 42.931 1.00 31.49 O +ATOM 297 CB ILE A 744 13.632 26.644 43.954 1.00 29.97 C +ATOM 298 CG1 ILE A 744 12.107 26.523 43.962 1.00 30.21 C +ATOM 299 CG2 ILE A 744 14.225 26.225 45.290 1.00 29.02 C +ATOM 300 CD1 ILE A 744 11.712 25.074 43.809 1.00 30.30 C +ATOM 301 N LYS A 745 16.003 29.136 44.541 1.00 33.08 N +ATOM 302 CA LYS A 745 17.427 29.361 44.666 1.00 34.33 C +ATOM 303 C LYS A 745 17.957 28.770 45.958 1.00 35.92 C +ATOM 304 O LYS A 745 17.530 29.153 47.051 1.00 34.05 O +ATOM 305 CB LYS A 745 17.725 30.853 44.623 1.00 34.40 C +ATOM 306 CG LYS A 745 19.216 31.063 44.495 1.00 34.36 C +ATOM 307 CD LYS A 745 19.444 32.442 43.941 1.00 35.10 C +ATOM 308 CE LYS A 745 20.888 32.589 43.540 1.00 36.36 C +ATOM 309 NZ LYS A 745 21.006 33.729 42.597 1.00 38.35 N +ATOM 310 N GLU A 746 18.877 27.820 45.830 1.00 38.06 N +ATOM 311 CA GLU A 746 19.477 27.202 47.002 1.00 40.66 C +ATOM 312 C GLU A 746 20.878 27.795 47.139 1.00 41.63 C +ATOM 313 O GLU A 746 21.715 27.638 46.251 1.00 40.95 O +ATOM 314 CB GLU A 746 19.539 25.682 46.831 1.00 42.06 C +ATOM 315 CG GLU A 746 19.588 25.041 48.212 1.00 45.53 C +ATOM 316 CD GLU A 746 19.493 23.531 48.102 1.00 46.98 C +ATOM 317 OE1 GLU A 746 19.184 22.884 49.126 1.00 50.18 O +ATOM 318 OE2 GLU A 746 19.731 22.984 47.006 1.00 49.26 O +ATOM 319 N LEU A 747 21.119 28.502 48.238 1.00 44.06 N +ATOM 320 CA LEU A 747 22.414 29.135 48.463 1.00 47.58 C +ATOM 321 C LEU A 747 23.561 28.142 48.614 1.00 49.47 C +ATOM 322 O LEU A 747 23.378 27.037 49.121 1.00 48.88 O +ATOM 323 CB LEU A 747 22.351 30.049 49.686 1.00 47.77 C +ATOM 324 CG LEU A 747 21.373 31.201 49.416 1.00 49.69 C +ATOM 325 CD1 LEU A 747 21.414 32.165 50.582 1.00 50.20 C +ATOM 326 CD2 LEU A 747 21.736 31.938 48.133 1.00 49.20 C +ATOM 327 N ARG A 748 24.741 28.555 48.155 1.00 52.21 N +ATOM 328 CA ARG A 748 25.950 27.731 48.215 1.00 55.38 C +ATOM 329 C ARG A 748 26.145 27.109 49.593 1.00 57.32 C +ATOM 330 O ARG A 748 25.896 25.915 49.784 1.00 58.05 O +ATOM 331 CB ARG A 748 27.179 28.573 47.848 1.00 55.25 C +ATOM 332 N GLU A 749 26.592 27.927 50.545 1.00 58.18 N +ATOM 333 CA GLU A 749 26.825 27.478 51.912 1.00 59.59 C +ATOM 334 C GLU A 749 25.648 27.868 52.810 1.00 60.66 C +ATOM 335 O GLU A 749 25.178 27.070 53.628 1.00 61.01 O +ATOM 336 CB GLU A 749 28.119 28.088 52.447 1.00 59.87 C +ATOM 337 N LYS A 754 20.792 28.290 62.875 1.00 82.73 N +ATOM 338 CA LYS A 754 20.268 29.352 63.729 1.00 83.04 C +ATOM 339 C LYS A 754 20.648 30.728 63.193 1.00 83.19 C +ATOM 340 O LYS A 754 19.928 31.705 63.404 1.00 83.81 O +ATOM 341 CB LYS A 754 20.790 29.186 65.152 1.00 83.29 C +ATOM 342 N ALA A 755 21.781 30.803 62.499 1.00 82.85 N +ATOM 343 CA ALA A 755 22.242 32.066 61.929 1.00 81.75 C +ATOM 344 C ALA A 755 21.239 32.529 60.881 1.00 81.03 C +ATOM 345 O ALA A 755 21.462 33.519 60.184 1.00 81.19 O +ATOM 346 CB ALA A 755 23.617 31.886 61.294 1.00 81.62 C +ATOM 347 N ASN A 756 20.133 31.800 60.777 1.00 79.72 N +ATOM 348 CA ASN A 756 19.089 32.123 59.819 1.00 78.73 C +ATOM 349 C ASN A 756 18.351 33.389 60.226 1.00 77.92 C +ATOM 350 O ASN A 756 17.543 33.918 59.462 1.00 77.71 O +ATOM 351 CB ASN A 756 18.105 30.958 59.695 1.00 78.76 C +ATOM 352 CG ASN A 756 18.834 29.738 59.151 1.00 78.19 C +ATOM 353 OD1 ASN A 756 18.211 28.742 58.782 1.00 78.17 O +ATOM 354 ND2 ASN A 756 20.159 29.810 59.102 1.00 77.87 N +ATOM 355 N LYS A 757 18.638 33.869 61.431 1.00 76.67 N +ATOM 356 CA LYS A 757 18.012 35.083 61.931 1.00 75.63 C +ATOM 357 C LYS A 757 18.407 36.243 61.026 1.00 75.07 C +ATOM 358 O LYS A 757 17.553 36.993 60.548 1.00 75.07 O +ATOM 359 CB LYS A 757 18.461 35.353 63.354 1.00 75.70 C +ATOM 360 N GLU A 758 19.707 36.385 60.790 1.00 74.00 N +ATOM 361 CA GLU A 758 20.207 37.452 59.934 1.00 72.87 C +ATOM 362 C GLU A 758 19.654 37.257 58.528 1.00 72.23 C +ATOM 363 O GLU A 758 19.268 38.220 57.861 1.00 71.94 O +ATOM 364 CB GLU A 758 21.736 37.432 59.906 1.00 72.79 C +ATOM 365 N ILE A 759 19.613 36.000 58.090 1.00 70.61 N +ATOM 366 CA ILE A 759 19.115 35.657 56.766 1.00 69.25 C +ATOM 367 C ILE A 759 17.651 36.032 56.598 1.00 68.46 C +ATOM 368 O ILE A 759 17.262 36.563 55.560 1.00 68.22 O +ATOM 369 CB ILE A 759 19.286 34.148 56.475 1.00 69.41 C +ATOM 370 CG1 ILE A 759 20.775 33.789 56.491 1.00 69.48 C +ATOM 371 CG2 ILE A 759 18.675 33.800 55.123 1.00 67.93 C +ATOM 372 CD1 ILE A 759 20.948 32.301 56.279 1.00 69.36 C +ATOM 373 N LEU A 760 16.839 35.754 57.614 1.00 67.21 N +ATOM 374 CA LEU A 760 15.422 36.086 57.545 1.00 66.61 C +ATOM 375 C LEU A 760 15.246 37.588 57.434 1.00 66.46 C +ATOM 376 O LEU A 760 14.317 38.068 56.788 1.00 66.25 O +ATOM 377 CB LEU A 760 14.681 35.592 58.790 1.00 66.44 C +ATOM 378 CG LEU A 760 14.478 34.077 58.717 1.00 66.90 C +ATOM 379 CD1 LEU A 760 13.820 33.592 59.998 1.00 67.00 C +ATOM 380 CD2 LEU A 760 13.614 33.729 57.522 1.00 67.15 C +ATOM 381 N ASP A 761 16.151 38.326 58.065 1.00 66.43 N +ATOM 382 CA ASP A 761 16.083 39.776 58.058 1.00 66.50 C +ATOM 383 C ASP A 761 16.246 40.343 56.657 1.00 66.29 C +ATOM 384 O ASP A 761 15.403 41.109 56.190 1.00 66.85 O +ATOM 385 CB ASP A 761 17.148 40.356 58.984 1.00 68.67 C +ATOM 386 CG ASP A 761 16.854 41.822 59.191 1.00 70.31 C +ATOM 387 OD1 ASP A 761 15.698 42.141 59.540 1.00 71.67 O +ATOM 388 OD2 ASP A 761 17.771 42.652 59.008 1.00 71.85 O +ATOM 389 N GLU A 762 17.329 39.977 55.982 1.00 64.97 N +ATOM 390 CA GLU A 762 17.543 40.472 54.631 1.00 63.83 C +ATOM 391 C GLU A 762 16.478 39.858 53.726 1.00 61.62 C +ATOM 392 O GLU A 762 16.004 40.493 52.786 1.00 61.47 O +ATOM 393 CB GLU A 762 18.942 40.097 54.133 1.00 65.16 C +ATOM 394 CG GLU A 762 19.265 40.882 52.852 1.00 67.30 C +ATOM 395 CD GLU A 762 19.511 42.360 53.164 1.00 68.56 C +ATOM 396 OE1 GLU A 762 19.781 43.130 52.214 1.00 68.89 O +ATOM 397 OE2 GLU A 762 19.438 42.753 54.353 1.00 69.20 O +ATOM 398 N ALA A 763 16.097 38.620 54.023 1.00 59.48 N +ATOM 399 CA ALA A 763 15.082 37.935 53.234 1.00 57.62 C +ATOM 400 C ALA A 763 13.820 38.782 53.217 1.00 56.49 C +ATOM 401 O ALA A 763 13.174 38.930 52.179 1.00 57.13 O +ATOM 402 CB ALA A 763 14.787 36.564 53.826 1.00 56.63 C +ATOM 403 N TYR A 764 13.484 39.346 54.374 1.00 54.91 N +ATOM 404 CA TYR A 764 12.301 40.189 54.506 1.00 53.62 C +ATOM 405 C TYR A 764 12.352 41.345 53.509 1.00 52.26 C +ATOM 406 O TYR A 764 11.348 41.673 52.880 1.00 52.38 O +ATOM 407 CB TYR A 764 12.193 40.747 55.930 1.00 54.41 C +ATOM 408 CG TYR A 764 10.861 41.447 56.089 1.00 55.57 C +ATOM 409 CD1 TYR A 764 9.673 40.718 56.143 1.00 55.64 C +ATOM 410 CD2 TYR A 764 10.782 42.841 56.152 1.00 56.01 C +ATOM 411 CE1 TYR A 764 8.438 41.357 56.254 1.00 55.40 C +ATOM 412 CE2 TYR A 764 9.546 43.493 56.263 1.00 54.87 C +ATOM 413 CZ TYR A 764 8.382 42.744 56.313 1.00 55.64 C +ATOM 414 OH TYR A 764 7.158 43.371 56.420 1.00 56.17 O +ATOM 415 N VAL A 765 13.517 41.968 53.365 1.00 50.18 N +ATOM 416 CA VAL A 765 13.649 43.073 52.423 1.00 48.78 C +ATOM 417 C VAL A 765 13.323 42.583 51.009 1.00 47.35 C +ATOM 418 O VAL A 765 12.591 43.239 50.268 1.00 46.25 O +ATOM 419 CB VAL A 765 15.079 43.671 52.446 1.00 49.08 C +ATOM 420 CG1 VAL A 765 15.244 44.669 51.318 1.00 48.72 C +ATOM 421 CG2 VAL A 765 15.333 44.358 53.775 1.00 48.92 C +ATOM 422 N MET A 766 13.866 41.424 50.649 1.00 45.60 N +ATOM 423 CA MET A 766 13.632 40.832 49.334 1.00 43.79 C +ATOM 424 C MET A 766 12.163 40.524 49.106 1.00 41.75 C +ATOM 425 O MET A 766 11.728 40.379 47.970 1.00 40.12 O +ATOM 426 CB MET A 766 14.445 39.542 49.178 1.00 44.75 C +ATOM 427 CG MET A 766 15.901 39.881 48.923 1.00 44.78 C +ATOM 428 SD MET A 766 16.933 38.522 49.479 1.00 47.25 S +ATOM 429 CE MET A 766 16.500 37.280 48.345 1.00 46.32 C +ATOM 430 N ALA A 767 11.399 40.425 50.188 1.00 41.38 N +ATOM 431 CA ALA A 767 9.975 40.123 50.080 1.00 41.91 C +ATOM 432 C ALA A 767 9.063 41.337 50.206 1.00 42.31 C +ATOM 433 O ALA A 767 7.902 41.279 49.814 1.00 43.88 O +ATOM 434 CB ALA A 767 9.587 39.092 51.122 1.00 42.13 C +ATOM 435 N SER A 768 9.580 42.436 50.742 1.00 43.38 N +ATOM 436 CA SER A 768 8.763 43.629 50.932 1.00 44.79 C +ATOM 437 C SER A 768 8.767 44.614 49.772 1.00 45.02 C +ATOM 438 O SER A 768 8.072 45.618 49.812 1.00 46.25 O +ATOM 439 CB SER A 768 9.175 44.346 52.219 1.00 45.31 C +ATOM 440 OG SER A 768 10.565 44.591 52.199 1.00 48.57 O +ATOM 441 N VAL A 769 9.541 44.327 48.734 1.00 45.13 N +ATOM 442 CA VAL A 769 9.585 45.208 47.581 1.00 43.58 C +ATOM 443 C VAL A 769 8.295 45.046 46.789 1.00 44.32 C +ATOM 444 O VAL A 769 7.753 43.941 46.677 1.00 45.25 O +ATOM 445 CB VAL A 769 10.791 44.883 46.679 1.00 43.88 C +ATOM 446 CG1 VAL A 769 12.089 45.125 47.445 1.00 43.31 C +ATOM 447 CG2 VAL A 769 10.717 43.440 46.202 1.00 42.70 C +ATOM 448 N ASP A 770 7.793 46.150 46.250 1.00 42.83 N +ATOM 449 CA ASP A 770 6.562 46.122 45.478 1.00 41.08 C +ATOM 450 C ASP A 770 6.630 47.151 44.364 1.00 39.38 C +ATOM 451 O ASP A 770 6.218 48.298 44.524 1.00 38.91 O +ATOM 452 CB ASP A 770 5.362 46.405 46.386 1.00 43.41 C +ATOM 453 CG ASP A 770 4.089 46.352 45.559 1.00 45.85 C +ATOM 454 OD1 ASP A 770 3.858 45.327 44.879 1.00 47.18 O +ATOM 455 OD2 ASP A 770 3.319 47.335 45.589 1.00 47.45 O +ATOM 456 N ASN A 771 7.162 46.720 43.231 1.00 37.26 N +ATOM 457 CA ASN A 771 7.326 47.574 42.072 1.00 36.07 C +ATOM 458 C ASN A 771 7.266 46.625 40.898 1.00 35.60 C +ATOM 459 O ASN A 771 7.741 45.496 40.985 1.00 36.66 O +ATOM 460 CB ASN A 771 8.688 48.284 42.129 1.00 36.41 C +ATOM 461 CG ASN A 771 8.882 49.150 40.905 1.00 35.23 C +ATOM 462 OD1 ASN A 771 9.178 48.659 39.822 1.00 36.91 O +ATOM 463 ND2 ASN A 771 8.700 50.450 41.069 1.00 37.71 N +ATOM 464 N PRO A 772 6.676 47.064 39.783 1.00 34.30 N +ATOM 465 CA PRO A 772 6.576 46.197 38.609 1.00 33.82 C +ATOM 466 C PRO A 772 7.900 45.849 37.921 1.00 33.47 C +ATOM 467 O PRO A 772 7.962 44.897 37.144 1.00 33.16 O +ATOM 468 CB PRO A 772 5.627 46.973 37.708 1.00 33.30 C +ATOM 469 CG PRO A 772 5.782 48.396 38.078 1.00 34.89 C +ATOM 470 CD PRO A 772 5.920 48.318 39.591 1.00 33.85 C +ATOM 471 N HIS A 773 8.959 46.595 38.213 1.00 31.80 N +ATOM 472 CA HIS A 773 10.241 46.321 37.577 1.00 31.98 C +ATOM 473 C HIS A 773 11.226 45.631 38.511 1.00 32.15 C +ATOM 474 O HIS A 773 12.422 45.555 38.220 1.00 30.70 O +ATOM 475 CB HIS A 773 10.843 47.622 37.052 1.00 32.16 C +ATOM 476 CG HIS A 773 9.792 48.330 36.258 1.00 33.27 C +ATOM 477 ND1 HIS A 773 9.169 47.757 35.168 1.00 32.17 N +ATOM 478 CD2 HIS A 773 9.226 49.548 36.419 1.00 31.60 C +ATOM 479 CE1 HIS A 773 8.266 48.595 34.693 1.00 32.30 C +ATOM 480 NE2 HIS A 773 8.280 49.688 35.435 1.00 31.79 N +ATOM 481 N VAL A 774 10.709 45.119 39.622 1.00 31.95 N +ATOM 482 CA VAL A 774 11.526 44.441 40.620 1.00 32.49 C +ATOM 483 C VAL A 774 10.922 43.090 41.035 1.00 32.52 C +ATOM 484 O VAL A 774 9.748 43.007 41.378 1.00 32.02 O +ATOM 485 CB VAL A 774 11.670 45.329 41.887 1.00 32.76 C +ATOM 486 CG1 VAL A 774 12.536 44.633 42.913 1.00 32.56 C +ATOM 487 CG2 VAL A 774 12.247 46.696 41.514 1.00 29.65 C +ATOM 488 N CYS A 775 11.724 42.032 40.987 1.00 32.81 N +ATOM 489 CA CYS A 775 11.252 40.718 41.388 1.00 32.78 C +ATOM 490 C CYS A 775 11.035 40.695 42.890 1.00 33.38 C +ATOM 491 O CYS A 775 11.782 41.312 43.640 1.00 33.80 O +ATOM 492 CB CYS A 775 12.253 39.635 40.999 1.00 31.98 C +ATOM 493 SG CYS A 775 12.073 39.276 39.239 1.00 35.49 S +ATOM 494 N ARG A 776 10.010 39.972 43.325 1.00 34.22 N +ATOM 495 CA ARG A 776 9.683 39.875 44.743 1.00 35.59 C +ATOM 496 C ARG A 776 9.875 38.453 45.265 1.00 35.05 C +ATOM 497 O ARG A 776 9.560 37.480 44.580 1.00 34.63 O +ATOM 498 CB ARG A 776 8.233 40.326 44.951 1.00 37.57 C +ATOM 499 CG ARG A 776 7.783 40.058 46.364 1.00 41.37 C +ATOM 500 CD ARG A 776 6.353 40.577 46.537 1.00 44.93 C +ATOM 501 NE ARG A 776 5.897 40.263 47.887 1.00 49.74 N +ATOM 502 CZ ARG A 776 5.617 39.033 48.311 1.00 51.84 C +ATOM 503 NH1 ARG A 776 5.737 38.004 47.483 1.00 53.11 N +ATOM 504 NH2 ARG A 776 5.245 38.827 49.567 1.00 53.09 N +ATOM 505 N LEU A 777 10.407 38.336 46.475 1.00 35.53 N +ATOM 506 CA LEU A 777 10.625 37.033 47.085 1.00 36.86 C +ATOM 507 C LEU A 777 9.265 36.576 47.605 1.00 37.63 C +ATOM 508 O LEU A 777 8.585 37.334 48.294 1.00 38.38 O +ATOM 509 CB LEU A 777 11.622 37.163 48.240 1.00 36.40 C +ATOM 510 CG LEU A 777 12.115 35.777 48.672 1.00 38.05 C +ATOM 511 CD1 LEU A 777 12.905 35.106 47.549 1.00 34.98 C +ATOM 512 CD2 LEU A 777 12.988 35.933 49.901 1.00 37.84 C +ATOM 513 N LEU A 778 8.854 35.359 47.258 1.00 38.15 N +ATOM 514 CA LEU A 778 7.560 34.835 47.706 1.00 38.61 C +ATOM 515 C LEU A 778 7.662 34.077 49.023 1.00 38.27 C +ATOM 516 O LEU A 778 6.738 34.099 49.834 1.00 38.15 O +ATOM 517 CB LEU A 778 6.960 33.886 46.670 1.00 38.97 C +ATOM 518 CG LEU A 778 6.704 34.611 45.356 1.00 41.90 C +ATOM 519 CD1 LEU A 778 6.108 33.609 44.372 1.00 41.39 C +ATOM 520 CD2 LEU A 778 5.759 35.790 45.564 1.00 42.40 C +ATOM 521 N GLY A 779 8.781 33.387 49.224 1.00 38.57 N +ATOM 522 CA GLY A 779 8.956 32.624 50.441 1.00 38.18 C +ATOM 523 C GLY A 779 10.359 32.095 50.608 1.00 38.57 C +ATOM 524 O GLY A 779 11.184 32.181 49.706 1.00 38.52 O +ATOM 525 N ILE A 780 10.621 31.534 51.778 1.00 39.76 N +ATOM 526 CA ILE A 780 11.928 30.991 52.097 1.00 41.18 C +ATOM 527 C ILE A 780 11.762 29.650 52.812 1.00 42.86 C +ATOM 528 O ILE A 780 10.722 29.382 53.416 1.00 43.20 O +ATOM 529 CB ILE A 780 12.693 31.955 53.009 1.00 40.30 C +ATOM 530 CG1 ILE A 780 14.132 31.466 53.206 1.00 39.18 C +ATOM 531 CG2 ILE A 780 11.958 32.083 54.339 1.00 38.30 C +ATOM 532 CD1 ILE A 780 14.919 32.517 53.953 1.00 37.47 C +ATOM 533 N CYS A 781 12.785 28.808 52.730 1.00 44.73 N +ATOM 534 CA CYS A 781 12.753 27.500 53.374 1.00 47.74 C +ATOM 535 C CYS A 781 14.097 27.269 54.042 1.00 49.27 C +ATOM 536 O CYS A 781 15.126 27.146 53.370 1.00 49.08 O +ATOM 537 CB CYS A 781 12.478 26.404 52.342 1.00 48.72 C +ATOM 538 SG CYS A 781 12.511 24.790 53.150 1.00 50.39 S +ATOM 539 N LEU A 782 14.085 27.206 55.368 1.00 50.87 N +ATOM 540 CA LEU A 782 15.311 27.026 56.118 1.00 54.53 C +ATOM 541 C LEU A 782 15.531 25.613 56.638 1.00 56.88 C +ATOM 542 O LEU A 782 15.123 25.284 57.752 1.00 57.51 O +ATOM 543 CB LEU A 782 15.347 28.016 57.289 1.00 56.06 C +ATOM 544 CG LEU A 782 15.196 29.453 56.765 1.00 56.51 C +ATOM 545 CD1 LEU A 782 14.954 30.405 57.923 1.00 56.23 C +ATOM 546 CD2 LEU A 782 16.439 29.858 55.995 1.00 56.02 C +ATOM 547 N THR A 783 16.167 24.775 55.822 1.00 58.59 N +ATOM 548 CA THR A 783 16.481 23.407 56.226 1.00 60.27 C +ATOM 549 C THR A 783 17.998 23.412 56.387 1.00 60.10 C +ATOM 550 O THR A 783 18.560 24.411 56.842 1.00 60.76 O +ATOM 551 CB THR A 783 16.099 22.379 55.146 1.00 61.05 C +ATOM 552 OG1 THR A 783 16.998 22.499 54.037 1.00 62.47 O +ATOM 553 CG2 THR A 783 14.672 22.610 54.673 1.00 61.43 C +ATOM 554 N SER A 784 18.662 22.318 56.019 1.00 59.06 N +ATOM 555 CA SER A 784 20.119 22.261 56.123 1.00 57.78 C +ATOM 556 C SER A 784 20.641 23.537 55.485 1.00 55.95 C +ATOM 557 O SER A 784 21.389 24.298 56.091 1.00 56.55 O +ATOM 558 CB SER A 784 20.673 21.058 55.356 1.00 58.45 C +ATOM 559 OG SER A 784 20.089 19.864 55.844 1.00 61.14 O +ATOM 560 N THR A 785 20.221 23.759 54.248 1.00 54.45 N +ATOM 561 CA THR A 785 20.612 24.940 53.495 1.00 51.63 C +ATOM 562 C THR A 785 19.425 25.889 53.442 1.00 50.00 C +ATOM 563 O THR A 785 18.372 25.624 54.021 1.00 50.67 O +ATOM 564 CB THR A 785 20.987 24.579 52.058 1.00 51.28 C +ATOM 565 OG1 THR A 785 19.840 24.022 51.401 1.00 49.83 O +ATOM 566 CG2 THR A 785 22.123 23.569 52.042 1.00 50.69 C +ATOM 567 N VAL A 786 19.604 26.997 52.740 1.00 48.59 N +ATOM 568 CA VAL A 786 18.549 27.982 52.601 1.00 45.81 C +ATOM 569 C VAL A 786 18.071 27.996 51.165 1.00 44.06 C +ATOM 570 O VAL A 786 18.868 27.936 50.230 1.00 42.98 O +ATOM 571 CB VAL A 786 19.047 29.392 52.984 1.00 46.58 C +ATOM 572 CG1 VAL A 786 20.351 29.682 52.274 1.00 46.97 C +ATOM 573 CG2 VAL A 786 17.999 30.441 52.621 1.00 45.35 C +ATOM 574 N GLN A 787 16.757 28.060 51.001 1.00 42.75 N +ATOM 575 CA GLN A 787 16.153 28.096 49.686 1.00 41.07 C +ATOM 576 C GLN A 787 15.235 29.304 49.582 1.00 39.66 C +ATOM 577 O GLN A 787 14.405 29.545 50.456 1.00 39.23 O +ATOM 578 CB GLN A 787 15.359 26.816 49.431 1.00 41.69 C +ATOM 579 CG GLN A 787 16.272 25.618 49.601 1.00 43.40 C +ATOM 580 CD GLN A 787 15.538 24.370 49.161 1.00 45.36 C +ATOM 581 OE1 GLN A 787 15.361 24.137 47.968 1.00 48.51 O +ATOM 582 NE2 GLN A 787 15.095 23.566 50.122 1.00 43.94 N +ATOM 583 N LEU A 788 15.408 30.065 48.509 1.00 38.73 N +ATOM 584 CA LEU A 788 14.608 31.251 48.250 1.00 36.09 C +ATOM 585 C LEU A 788 13.660 30.871 47.119 1.00 36.29 C +ATOM 586 O LEU A 788 14.083 30.256 46.133 1.00 35.71 O +ATOM 587 CB LEU A 788 15.508 32.415 47.810 1.00 34.19 C +ATOM 588 CG LEU A 788 16.701 32.569 48.767 1.00 33.52 C +ATOM 589 CD1 LEU A 788 17.680 33.606 48.215 1.00 33.41 C +ATOM 590 CD2 LEU A 788 16.216 32.990 50.146 1.00 34.20 C +ATOM 591 N ILE A 789 12.382 31.221 47.269 1.00 34.84 N +ATOM 592 CA ILE A 789 11.382 30.909 46.256 1.00 33.42 C +ATOM 593 C ILE A 789 10.725 32.186 45.726 1.00 33.84 C +ATOM 594 O ILE A 789 10.341 33.080 46.487 1.00 33.75 O +ATOM 595 CB ILE A 789 10.298 29.951 46.814 1.00 33.11 C +ATOM 596 CG1 ILE A 789 10.937 28.619 47.236 1.00 31.44 C +ATOM 597 CG2 ILE A 789 9.231 29.703 45.767 1.00 31.72 C +ATOM 598 CD1 ILE A 789 11.448 28.721 48.660 1.00 30.23 C +ATOM 599 N THR A 790 10.596 32.260 44.408 1.00 33.79 N +ATOM 600 CA THR A 790 10.028 33.429 43.760 1.00 32.40 C +ATOM 601 C THR A 790 9.281 32.979 42.501 1.00 32.86 C +ATOM 602 O THR A 790 9.439 31.839 42.046 1.00 32.60 O +ATOM 603 CB THR A 790 11.175 34.430 43.396 1.00 32.71 C +ATOM 604 OG1 THR A 790 10.627 35.697 43.007 1.00 32.45 O +ATOM 605 CG2 THR A 790 12.028 33.874 42.252 1.00 31.17 C +ATOM 606 N GLN A 791 8.468 33.873 41.941 1.00 33.64 N +ATOM 607 CA GLN A 791 7.699 33.555 40.745 1.00 32.65 C +ATOM 608 C GLN A 791 8.645 33.293 39.579 1.00 33.49 C +ATOM 609 O GLN A 791 9.632 34.011 39.405 1.00 33.84 O +ATOM 610 CB GLN A 791 6.754 34.711 40.402 1.00 31.74 C +ATOM 611 CG GLN A 791 5.998 34.378 39.120 1.00 32.31 C +ATOM 612 CD GLN A 791 4.983 35.473 38.792 1.00 34.41 C +ATOM 613 OE1 GLN A 791 4.275 35.392 37.791 1.00 34.47 O +ATOM 614 NE2 GLN A 791 4.914 36.497 39.632 1.00 33.64 N +ATOM 615 N LEU A 792 8.341 32.272 38.782 1.00 32.76 N +ATOM 616 CA LEU A 792 9.171 31.925 37.634 1.00 32.70 C +ATOM 617 C LEU A 792 8.953 32.899 36.476 1.00 34.36 C +ATOM 618 O LEU A 792 7.819 33.127 36.066 1.00 35.51 O +ATOM 619 CB LEU A 792 8.847 30.497 37.186 1.00 31.67 C +ATOM 620 CG LEU A 792 9.720 30.061 35.998 1.00 31.08 C +ATOM 621 CD1 LEU A 792 11.201 29.960 36.381 1.00 26.68 C +ATOM 622 CD2 LEU A 792 9.207 28.699 35.521 1.00 29.44 C +ATOM 623 N MET A 793 10.035 33.489 35.966 1.00 34.88 N +ATOM 624 CA MET A 793 9.946 34.413 34.831 1.00 35.73 C +ATOM 625 C MET A 793 10.094 33.555 33.568 1.00 37.09 C +ATOM 626 O MET A 793 11.194 33.135 33.209 1.00 36.71 O +ATOM 627 CB MET A 793 11.051 35.471 34.915 1.00 35.01 C +ATOM 628 CG MET A 793 10.838 36.339 36.162 1.00 34.43 C +ATOM 629 SD MET A 793 9.325 37.348 35.974 1.00 34.56 S +ATOM 630 CE MET A 793 8.220 36.563 37.131 1.00 33.63 C +ATOM 631 N PRO A 794 8.973 33.294 32.875 1.00 38.38 N +ATOM 632 CA PRO A 794 8.874 32.483 31.655 1.00 39.64 C +ATOM 633 C PRO A 794 9.850 32.718 30.499 1.00 40.29 C +ATOM 634 O PRO A 794 10.119 31.801 29.718 1.00 41.19 O +ATOM 635 CB PRO A 794 7.416 32.670 31.251 1.00 40.49 C +ATOM 636 CG PRO A 794 6.984 33.971 31.828 1.00 39.53 C +ATOM 637 CD PRO A 794 7.679 33.944 33.177 1.00 39.37 C +ATOM 638 N PHE A 795 10.401 33.916 30.377 1.00 39.79 N +ATOM 639 CA PHE A 795 11.332 34.168 29.279 1.00 38.72 C +ATOM 640 C PHE A 795 12.814 34.102 29.656 1.00 37.36 C +ATOM 641 O PHE A 795 13.682 34.385 28.836 1.00 37.99 O +ATOM 642 CB PHE A 795 10.999 35.505 28.624 1.00 40.04 C +ATOM 643 CG PHE A 795 9.718 35.340 27.856 1.00 41.55 C +ATOM 644 CD1 PHE A 795 9.738 34.932 26.524 1.00 42.39 C +ATOM 645 CD2 PHE A 795 8.492 35.551 28.471 1.00 42.44 C +ATOM 646 CE1 PHE A 795 8.550 34.734 25.813 1.00 43.40 C +ATOM 647 CE2 PHE A 795 7.295 35.354 27.769 1.00 43.87 C +ATOM 648 CZ PHE A 795 7.327 34.944 26.435 1.00 42.07 C +ATOM 649 N GLY A 796 13.101 33.713 30.892 1.00 36.30 N +ATOM 650 CA GLY A 796 14.483 33.606 31.321 1.00 35.02 C +ATOM 651 C GLY A 796 15.117 34.953 31.585 1.00 34.03 C +ATOM 652 O GLY A 796 14.401 35.929 31.803 1.00 33.97 O +ATOM 653 N CYS A 797 16.449 35.025 31.566 1.00 32.64 N +ATOM 654 CA CYS A 797 17.105 36.301 31.828 1.00 33.18 C +ATOM 655 C CYS A 797 17.348 37.127 30.577 1.00 32.07 C +ATOM 656 O CYS A 797 17.519 36.599 29.478 1.00 31.81 O +ATOM 657 CB CYS A 797 18.414 36.104 32.594 1.00 34.54 C +ATOM 658 SG CYS A 797 19.603 35.258 31.581 1.00 41.56 S +ATOM 659 N LEU A 798 17.358 38.440 30.767 1.00 32.19 N +ATOM 660 CA LEU A 798 17.543 39.391 29.683 1.00 31.85 C +ATOM 661 C LEU A 798 18.797 39.135 28.861 1.00 30.89 C +ATOM 662 O LEU A 798 18.778 39.292 27.643 1.00 30.72 O +ATOM 663 CB LEU A 798 17.557 40.822 30.247 1.00 31.19 C +ATOM 664 CG LEU A 798 17.374 41.845 29.111 1.00 32.11 C +ATOM 665 CD1 LEU A 798 16.216 41.452 28.201 1.00 31.90 C +ATOM 666 CD2 LEU A 798 17.105 43.218 29.713 1.00 32.53 C +ATOM 667 N LEU A 799 19.883 38.737 29.518 1.00 31.14 N +ATOM 668 CA LEU A 799 21.133 38.471 28.814 1.00 31.67 C +ATOM 669 C LEU A 799 20.934 37.446 27.694 1.00 32.29 C +ATOM 670 O LEU A 799 21.179 37.750 26.529 1.00 33.08 O +ATOM 671 CB LEU A 799 22.203 37.990 29.807 1.00 31.55 C +ATOM 672 CG LEU A 799 23.543 37.743 29.096 1.00 30.33 C +ATOM 673 CD1 LEU A 799 24.058 39.004 28.427 1.00 30.12 C +ATOM 674 CD2 LEU A 799 24.543 37.258 30.116 1.00 29.34 C +ATOM 675 N ASP A 800 20.480 36.242 28.029 1.00 32.83 N +ATOM 676 CA ASP A 800 20.265 35.228 26.993 1.00 34.13 C +ATOM 677 C ASP A 800 19.214 35.669 25.985 1.00 33.54 C +ATOM 678 O ASP A 800 19.282 35.309 24.814 1.00 33.61 O +ATOM 679 CB ASP A 800 19.848 33.880 27.604 1.00 36.83 C +ATOM 680 CG ASP A 800 20.991 33.320 28.451 1.00 39.82 C +ATOM 681 OD1 ASP A 800 22.171 33.469 28.049 1.00 41.84 O +ATOM 682 OD2 ASP A 800 20.708 32.724 29.515 1.00 41.11 O +ATOM 683 N TYR A 801 18.244 36.456 26.437 1.00 33.17 N +ATOM 684 CA TYR A 801 17.197 36.932 25.545 1.00 33.27 C +ATOM 685 C TYR A 801 17.751 37.786 24.404 1.00 33.32 C +ATOM 686 O TYR A 801 17.464 37.525 23.238 1.00 34.90 O +ATOM 687 CB TYR A 801 16.161 37.744 26.317 1.00 34.49 C +ATOM 688 CG TYR A 801 14.932 37.920 25.453 1.00 36.17 C +ATOM 689 CD1 TYR A 801 13.902 36.973 25.467 1.00 36.03 C +ATOM 690 CD2 TYR A 801 14.800 39.027 24.616 1.00 36.95 C +ATOM 691 CE1 TYR A 801 12.771 37.127 24.673 1.00 36.79 C +ATOM 692 CE2 TYR A 801 13.675 39.193 23.812 1.00 38.07 C +ATOM 693 CZ TYR A 801 12.664 38.241 23.843 1.00 39.08 C +ATOM 694 OH TYR A 801 11.562 38.394 23.025 1.00 40.07 O +ATOM 695 N VAL A 802 18.534 38.813 24.717 1.00 32.59 N +ATOM 696 CA VAL A 802 19.069 39.639 23.641 1.00 32.15 C +ATOM 697 C VAL A 802 20.007 38.813 22.768 1.00 33.15 C +ATOM 698 O VAL A 802 20.100 39.044 21.568 1.00 32.79 O +ATOM 699 CB VAL A 802 19.805 40.911 24.172 1.00 30.44 C +ATOM 700 CG1 VAL A 802 18.827 41.772 24.937 1.00 28.47 C +ATOM 701 CG2 VAL A 802 20.998 40.535 25.048 1.00 28.08 C +ATOM 702 N ARG A 803 20.691 37.840 23.365 1.00 34.90 N +ATOM 703 CA ARG A 803 21.591 36.989 22.592 1.00 37.03 C +ATOM 704 C ARG A 803 20.803 36.197 21.561 1.00 38.73 C +ATOM 705 O ARG A 803 21.189 36.134 20.393 1.00 39.82 O +ATOM 706 CB ARG A 803 22.345 36.006 23.492 1.00 34.93 C +ATOM 707 CG ARG A 803 23.449 36.728 24.216 1.00 34.60 C +ATOM 708 CD ARG A 803 24.246 35.737 25.044 1.00 33.00 C +ATOM 709 NE ARG A 803 25.332 36.446 25.709 1.00 33.43 N +ATOM 710 CZ ARG A 803 26.083 35.933 26.675 1.00 34.01 C +ATOM 711 NH1 ARG A 803 27.047 36.663 27.221 1.00 31.90 N +ATOM 712 NH2 ARG A 803 25.871 34.691 27.094 1.00 35.29 N +ATOM 713 N GLU A 804 19.698 35.601 21.998 1.00 40.80 N +ATOM 714 CA GLU A 804 18.856 34.795 21.122 1.00 44.46 C +ATOM 715 C GLU A 804 18.138 35.610 20.066 1.00 44.93 C +ATOM 716 O GLU A 804 17.968 35.152 18.941 1.00 45.00 O +ATOM 717 CB GLU A 804 17.817 34.014 21.936 1.00 47.52 C +ATOM 718 CG GLU A 804 18.525 33.001 22.826 1.00 54.36 C +ATOM 719 CD GLU A 804 19.352 32.056 21.964 1.00 57.25 C +ATOM 720 OE1 GLU A 804 18.782 31.485 21.006 1.00 58.47 O +ATOM 721 OE2 GLU A 804 20.563 31.884 22.248 1.00 58.18 O +ATOM 722 N HIS A 805 17.709 36.815 20.422 1.00 45.73 N +ATOM 723 CA HIS A 805 16.999 37.656 19.467 1.00 48.25 C +ATOM 724 C HIS A 805 17.904 38.741 18.919 1.00 50.45 C +ATOM 725 O HIS A 805 17.434 39.822 18.557 1.00 51.62 O +ATOM 726 CB HIS A 805 15.778 38.292 20.134 1.00 48.12 C +ATOM 727 CG HIS A 805 14.931 37.206 20.720 1.00 47.85 C +ATOM 728 ND1 HIS A 805 15.261 36.554 21.889 1.00 48.17 N +ATOM 729 CD2 HIS A 805 13.790 36.630 20.277 1.00 47.67 C +ATOM 730 CE1 HIS A 805 14.360 35.622 22.141 1.00 47.06 C +ATOM 731 NE2 HIS A 805 13.456 35.647 21.178 1.00 48.70 N +ATOM 732 N LYS A 806 19.197 38.436 18.841 1.00 52.58 N +ATOM 733 CA LYS A 806 20.196 39.386 18.364 1.00 55.20 C +ATOM 734 C LYS A 806 19.742 40.182 17.152 1.00 56.43 C +ATOM 735 O LYS A 806 20.259 41.270 16.878 1.00 56.85 O +ATOM 736 CB LYS A 806 21.510 38.673 18.037 1.00 56.95 C +ATOM 737 CG LYS A 806 22.511 39.722 17.582 1.00 58.96 C +ATOM 738 CD LYS A 806 23.923 39.207 17.752 1.00 62.00 C +ATOM 739 CE LYS A 806 24.905 40.366 17.536 1.00 63.43 C +ATOM 740 NZ LYS A 806 26.284 39.912 17.864 1.00 64.34 N +ATOM 741 N ASP A 807 18.775 39.633 16.426 1.00 57.67 N +ATOM 742 CA ASP A 807 18.238 40.295 15.253 1.00 58.40 C +ATOM 743 C ASP A 807 16.931 41.038 15.563 1.00 57.87 C +ATOM 744 O ASP A 807 16.955 42.224 15.899 1.00 59.17 O +ATOM 745 CB ASP A 807 18.018 39.277 14.126 1.00 60.38 C +ATOM 746 CG ASP A 807 19.362 38.686 13.701 1.00 63.17 C +ATOM 747 OD1 ASP A 807 20.294 39.469 13.398 1.00 64.93 O +ATOM 748 OD2 ASP A 807 19.493 37.443 13.664 1.00 64.03 O +ATOM 749 N ASN A 808 15.810 40.324 15.466 1.00 54.83 N +ATOM 750 CA ASN A 808 14.470 40.862 15.699 1.00 51.53 C +ATOM 751 C ASN A 808 14.204 41.776 16.907 1.00 49.54 C +ATOM 752 O ASN A 808 13.069 41.840 17.388 1.00 48.99 O +ATOM 753 CB ASN A 808 13.459 39.708 15.717 1.00 52.04 C +ATOM 754 N ILE A 809 15.218 42.480 17.403 1.00 46.25 N +ATOM 755 CA ILE A 809 15.022 43.399 18.529 1.00 43.69 C +ATOM 756 C ILE A 809 15.207 44.849 18.071 1.00 42.34 C +ATOM 757 O ILE A 809 16.299 45.253 17.674 1.00 41.64 O +ATOM 758 CB ILE A 809 16.008 43.109 19.683 1.00 42.89 C +ATOM 759 CG1 ILE A 809 15.608 41.815 20.395 1.00 41.07 C +ATOM 760 CG2 ILE A 809 16.007 44.275 20.672 1.00 43.52 C +ATOM 761 CD1 ILE A 809 16.693 41.436 21.379 1.00 40.17 C +ATOM 762 N GLY A 810 14.133 45.627 18.141 1.00 41.29 N +ATOM 763 CA GLY A 810 14.193 47.012 17.711 1.00 40.98 C +ATOM 764 C GLY A 810 14.590 48.007 18.782 1.00 40.86 C +ATOM 765 O GLY A 810 14.694 47.663 19.961 1.00 41.59 O +ATOM 766 N SER A 811 14.810 49.251 18.366 1.00 40.00 N +ATOM 767 CA SER A 811 15.202 50.314 19.285 1.00 40.61 C +ATOM 768 C SER A 811 14.155 50.575 20.364 1.00 39.98 C +ATOM 769 O SER A 811 14.499 50.943 21.485 1.00 40.71 O +ATOM 770 CB SER A 811 15.461 51.611 18.511 1.00 41.56 C +ATOM 771 OG SER A 811 14.270 52.018 17.851 1.00 41.61 O +ATOM 772 N GLN A 812 12.881 50.386 20.029 1.00 39.54 N +ATOM 773 CA GLN A 812 11.798 50.621 20.986 1.00 39.79 C +ATOM 774 C GLN A 812 11.907 49.709 22.211 1.00 39.00 C +ATOM 775 O GLN A 812 11.689 50.148 23.339 1.00 40.35 O +ATOM 776 CB GLN A 812 10.437 50.425 20.302 1.00 39.40 C +ATOM 777 CG GLN A 812 9.325 50.851 21.254 1.00 40.94 C +ATOM 778 CD GLN A 812 9.367 52.363 21.462 1.00 42.31 C +ATOM 779 OE1 GLN A 812 9.166 53.137 20.524 1.00 43.52 O +ATOM 780 NE2 GLN A 812 9.628 52.786 22.692 1.00 39.49 N +ATOM 781 N TYR A 813 12.244 48.442 21.989 1.00 38.62 N +ATOM 782 CA TYR A 813 12.393 47.481 23.080 1.00 38.31 C +ATOM 783 C TYR A 813 13.634 47.795 23.899 1.00 36.72 C +ATOM 784 O TYR A 813 13.569 47.905 25.125 1.00 36.72 O +ATOM 785 CB TYR A 813 12.497 46.054 22.523 1.00 42.54 C +ATOM 786 CG TYR A 813 11.109 45.494 22.306 1.00 45.18 C +ATOM 787 CD1 TYR A 813 10.340 45.062 23.385 1.00 47.74 C +ATOM 788 CD2 TYR A 813 10.550 45.435 21.032 1.00 47.73 C +ATOM 789 CE1 TYR A 813 9.043 44.588 23.206 1.00 50.32 C +ATOM 790 CE2 TYR A 813 9.250 44.965 20.835 1.00 50.12 C +ATOM 791 CZ TYR A 813 8.500 44.545 21.930 1.00 51.32 C +ATOM 792 OH TYR A 813 7.201 44.111 21.761 1.00 52.29 O +ATOM 793 N LEU A 814 14.765 47.936 23.211 1.00 34.41 N +ATOM 794 CA LEU A 814 16.028 48.237 23.865 1.00 32.33 C +ATOM 795 C LEU A 814 15.895 49.424 24.822 1.00 31.79 C +ATOM 796 O LEU A 814 16.260 49.325 25.998 1.00 30.69 O +ATOM 797 CB LEU A 814 17.113 48.511 22.817 1.00 30.66 C +ATOM 798 CG LEU A 814 17.583 47.181 22.207 1.00 31.24 C +ATOM 799 CD1 LEU A 814 18.423 47.445 20.965 1.00 27.04 C +ATOM 800 CD2 LEU A 814 18.374 46.377 23.254 1.00 29.23 C +ATOM 801 N LEU A 815 15.360 50.537 24.329 1.00 30.56 N +ATOM 802 CA LEU A 815 15.193 51.718 25.168 1.00 30.92 C +ATOM 803 C LEU A 815 14.173 51.509 26.291 1.00 32.61 C +ATOM 804 O LEU A 815 14.403 51.951 27.425 1.00 33.12 O +ATOM 805 CB LEU A 815 14.804 52.922 24.310 1.00 30.21 C +ATOM 806 CG LEU A 815 15.947 53.226 23.328 1.00 30.03 C +ATOM 807 CD1 LEU A 815 15.494 54.290 22.327 1.00 30.25 C +ATOM 808 CD2 LEU A 815 17.194 53.696 24.084 1.00 28.74 C +ATOM 809 N ASN A 816 13.056 50.838 25.993 1.00 31.97 N +ATOM 810 CA ASN A 816 12.047 50.575 27.021 1.00 32.34 C +ATOM 811 C ASN A 816 12.637 49.743 28.164 1.00 31.26 C +ATOM 812 O ASN A 816 12.272 49.930 29.331 1.00 30.17 O +ATOM 813 CB ASN A 816 10.831 49.846 26.428 1.00 35.13 C +ATOM 814 CG ASN A 816 9.957 50.835 25.661 1.00 38.02 C +ATOM 815 OD1 ASN A 816 10.263 52.028 25.585 1.00 39.24 O +ATOM 816 ND2 ASN A 816 8.863 50.339 25.093 1.00 38.80 N +ATOM 817 N TRP A 817 13.535 48.817 27.835 1.00 30.71 N +ATOM 818 CA TRP A 817 14.169 48.005 28.874 1.00 30.45 C +ATOM 819 C TRP A 817 15.042 48.907 29.757 1.00 29.93 C +ATOM 820 O TRP A 817 15.022 48.795 30.983 1.00 30.57 O +ATOM 821 CB TRP A 817 15.020 46.880 28.258 1.00 30.10 C +ATOM 822 CG TRP A 817 14.119 45.875 27.568 1.00 29.33 C +ATOM 823 CD1 TRP A 817 12.821 45.587 27.885 1.00 28.28 C +ATOM 824 CD2 TRP A 817 14.466 45.007 26.477 1.00 27.79 C +ATOM 825 NE1 TRP A 817 12.342 44.598 27.063 1.00 28.88 N +ATOM 826 CE2 TRP A 817 13.328 44.223 26.190 1.00 27.59 C +ATOM 827 CE3 TRP A 817 15.628 44.818 25.716 1.00 27.55 C +ATOM 828 CZ2 TRP A 817 13.314 43.260 25.174 1.00 28.50 C +ATOM 829 CZ3 TRP A 817 15.617 43.862 24.704 1.00 28.32 C +ATOM 830 CH2 TRP A 817 14.465 43.093 24.443 1.00 29.92 C +ATOM 831 N CYS A 818 15.792 49.811 29.134 1.00 28.92 N +ATOM 832 CA CYS A 818 16.642 50.731 29.887 1.00 29.24 C +ATOM 833 C CYS A 818 15.788 51.528 30.870 1.00 28.84 C +ATOM 834 O CYS A 818 16.163 51.713 32.027 1.00 29.42 O +ATOM 835 CB CYS A 818 17.373 51.691 28.933 1.00 29.64 C +ATOM 836 SG CYS A 818 18.600 50.777 27.934 1.00 32.23 S +ATOM 837 N VAL A 819 14.639 52.007 30.397 1.00 29.50 N +ATOM 838 CA VAL A 819 13.713 52.767 31.238 1.00 29.97 C +ATOM 839 C VAL A 819 13.229 51.897 32.395 1.00 29.47 C +ATOM 840 O VAL A 819 13.279 52.309 33.556 1.00 30.41 O +ATOM 841 CB VAL A 819 12.470 53.237 30.434 1.00 31.52 C +ATOM 842 CG1 VAL A 819 11.508 53.984 31.349 1.00 29.22 C +ATOM 843 CG2 VAL A 819 12.910 54.117 29.261 1.00 29.43 C +ATOM 844 N GLN A 820 12.776 50.687 32.074 1.00 28.37 N +ATOM 845 CA GLN A 820 12.273 49.761 33.089 1.00 29.01 C +ATOM 846 C GLN A 820 13.307 49.427 34.162 1.00 28.61 C +ATOM 847 O GLN A 820 13.024 49.502 35.361 1.00 29.68 O +ATOM 848 CB GLN A 820 11.779 48.476 32.427 1.00 29.76 C +ATOM 849 CG GLN A 820 10.419 48.723 31.803 1.00 32.16 C +ATOM 850 CD GLN A 820 10.054 47.539 30.920 1.00 35.11 C +ATOM 851 OE1 GLN A 820 10.201 46.387 31.320 1.00 38.22 O +ATOM 852 NE2 GLN A 820 9.572 47.821 29.714 1.00 35.58 N +ATOM 853 N ILE A 821 14.506 49.056 33.736 1.00 27.16 N +ATOM 854 CA ILE A 821 15.556 48.736 34.685 1.00 25.81 C +ATOM 855 C ILE A 821 15.889 49.977 35.513 1.00 25.16 C +ATOM 856 O ILE A 821 16.153 49.878 36.713 1.00 25.45 O +ATOM 857 CB ILE A 821 16.814 48.228 33.957 1.00 25.37 C +ATOM 858 CG1 ILE A 821 16.439 46.998 33.122 1.00 23.14 C +ATOM 859 CG2 ILE A 821 17.911 47.918 34.978 1.00 23.37 C +ATOM 860 CD1 ILE A 821 17.554 46.643 32.177 1.00 22.61 C +ATOM 861 N ALA A 822 15.864 51.142 34.874 1.00 24.11 N +ATOM 862 CA ALA A 822 16.134 52.399 35.580 1.00 26.74 C +ATOM 863 C ALA A 822 15.051 52.653 36.645 1.00 25.97 C +ATOM 864 O ALA A 822 15.346 53.126 37.739 1.00 27.60 O +ATOM 865 CB ALA A 822 16.184 53.577 34.578 1.00 26.31 C +ATOM 866 N LYS A 823 13.799 52.345 36.326 1.00 24.68 N +ATOM 867 CA LYS A 823 12.723 52.535 37.304 1.00 27.33 C +ATOM 868 C LYS A 823 12.926 51.593 38.481 1.00 27.68 C +ATOM 869 O LYS A 823 12.730 51.971 39.638 1.00 28.85 O +ATOM 870 CB LYS A 823 11.359 52.254 36.678 1.00 26.44 C +ATOM 871 CG LYS A 823 10.972 53.396 35.783 1.00 29.74 C +ATOM 872 CD LYS A 823 9.629 53.090 35.133 1.00 32.91 C +ATOM 873 CE LYS A 823 9.219 54.265 34.263 1.00 34.51 C +ATOM 874 NZ LYS A 823 7.907 53.976 33.633 1.00 38.13 N +ATOM 875 N GLY A 824 13.308 50.356 38.173 1.00 27.95 N +ATOM 876 CA GLY A 824 13.543 49.377 39.218 1.00 28.16 C +ATOM 877 C GLY A 824 14.675 49.784 40.146 1.00 27.49 C +ATOM 878 O GLY A 824 14.561 49.651 41.366 1.00 27.38 O +ATOM 879 N MET A 825 15.771 50.275 39.576 1.00 27.20 N +ATOM 880 CA MET A 825 16.909 50.702 40.381 1.00 27.57 C +ATOM 881 C MET A 825 16.539 51.912 41.238 1.00 28.01 C +ATOM 882 O MET A 825 16.907 51.985 42.412 1.00 28.44 O +ATOM 883 CB MET A 825 18.112 51.038 39.483 1.00 28.21 C +ATOM 884 CG MET A 825 18.624 49.763 38.788 1.00 26.91 C +ATOM 885 SD MET A 825 18.949 48.427 40.007 1.00 27.72 S +ATOM 886 CE MET A 825 20.078 49.225 41.105 1.00 27.12 C +ATOM 887 N ASN A 826 15.814 52.865 40.655 1.00 29.43 N +ATOM 888 CA ASN A 826 15.395 54.052 41.403 1.00 28.88 C +ATOM 889 C ASN A 826 14.529 53.604 42.578 1.00 28.64 C +ATOM 890 O ASN A 826 14.655 54.132 43.686 1.00 29.07 O +ATOM 891 CB ASN A 826 14.608 55.016 40.499 1.00 29.81 C +ATOM 892 CG ASN A 826 14.170 56.257 41.289 1.00 31.21 C +ATOM 893 OD1 ASN A 826 14.997 57.011 41.816 1.00 31.91 O +ATOM 894 ND2 ASN A 826 12.866 56.470 41.366 1.00 28.86 N +ATOM 895 N TYR A 827 13.658 52.623 42.338 1.00 27.76 N +ATOM 896 CA TYR A 827 12.804 52.104 43.397 1.00 27.99 C +ATOM 897 C TYR A 827 13.664 51.522 44.530 1.00 29.81 C +ATOM 898 O TYR A 827 13.410 51.791 45.705 1.00 30.75 O +ATOM 899 CB TYR A 827 11.864 51.029 42.844 1.00 30.45 C +ATOM 900 CG TYR A 827 10.991 50.466 43.954 1.00 31.44 C +ATOM 901 CD1 TYR A 827 9.784 51.082 44.314 1.00 31.38 C +ATOM 902 CD2 TYR A 827 11.371 49.316 44.639 1.00 29.97 C +ATOM 903 CE1 TYR A 827 8.977 50.551 45.331 1.00 30.46 C +ATOM 904 CE2 TYR A 827 10.583 48.783 45.647 1.00 31.19 C +ATOM 905 CZ TYR A 827 9.389 49.398 45.988 1.00 32.57 C +ATOM 906 OH TYR A 827 8.614 48.829 46.973 1.00 31.68 O +ATOM 907 N LEU A 828 14.682 50.732 44.185 1.00 29.27 N +ATOM 908 CA LEU A 828 15.547 50.154 45.210 1.00 28.45 C +ATOM 909 C LEU A 828 16.286 51.261 45.945 1.00 29.15 C +ATOM 910 O LEU A 828 16.612 51.126 47.130 1.00 28.61 O +ATOM 911 CB LEU A 828 16.566 49.190 44.599 1.00 28.16 C +ATOM 912 CG LEU A 828 15.863 47.956 44.032 1.00 27.54 C +ATOM 913 CD1 LEU A 828 16.908 47.021 43.421 1.00 26.19 C +ATOM 914 CD2 LEU A 828 15.097 47.242 45.124 1.00 28.25 C +ATOM 915 N GLU A 829 16.563 52.354 45.239 1.00 29.43 N +ATOM 916 CA GLU A 829 17.251 53.468 45.866 1.00 30.53 C +ATOM 917 C GLU A 829 16.314 54.122 46.892 1.00 31.34 C +ATOM 918 O GLU A 829 16.764 54.578 47.938 1.00 30.52 O +ATOM 919 CB GLU A 829 17.719 54.496 44.820 1.00 30.46 C +ATOM 920 CG GLU A 829 18.484 55.585 45.565 1.00 33.48 C +ATOM 921 CD GLU A 829 19.165 56.569 44.625 1.00 35.05 C +ATOM 922 OE1 GLU A 829 19.882 57.458 45.147 1.00 36.67 O +ATOM 923 OE2 GLU A 829 18.995 56.467 43.389 1.00 33.25 O +ATOM 924 N ASP A 830 15.014 54.167 46.598 1.00 32.51 N +ATOM 925 CA ASP A 830 14.061 54.748 47.549 1.00 34.34 C +ATOM 926 C ASP A 830 13.952 53.878 48.803 1.00 35.03 C +ATOM 927 O ASP A 830 13.603 54.363 49.877 1.00 35.08 O +ATOM 928 CB ASP A 830 12.668 54.913 46.925 1.00 35.01 C +ATOM 929 CG ASP A 830 12.652 56.113 45.993 1.00 35.63 C +ATOM 930 OD1 ASP A 830 13.423 57.077 46.225 1.00 36.13 O +ATOM 931 OD2 ASP A 830 11.853 56.099 45.035 1.00 34.34 O +ATOM 932 N ARG A 831 14.246 52.589 48.660 1.00 35.78 N +ATOM 933 CA ARG A 831 14.212 51.667 49.790 1.00 36.36 C +ATOM 934 C ARG A 831 15.613 51.572 50.405 1.00 35.73 C +ATOM 935 O ARG A 831 15.872 50.731 51.264 1.00 33.47 O +ATOM 936 CB ARG A 831 13.745 50.283 49.321 1.00 38.69 C +ATOM 937 CG ARG A 831 12.291 50.367 48.893 1.00 42.14 C +ATOM 938 CD ARG A 831 11.433 50.665 50.120 1.00 44.95 C +ATOM 939 NE ARG A 831 10.106 51.120 49.721 1.00 47.81 N +ATOM 940 CZ ARG A 831 9.863 52.265 49.084 1.00 51.54 C +ATOM 941 NH1 ARG A 831 8.616 52.601 48.760 1.00 52.38 N +ATOM 942 NH2 ARG A 831 10.865 53.078 48.766 1.00 52.48 N +ATOM 943 N ARG A 832 16.509 52.450 49.956 1.00 37.27 N +ATOM 944 CA ARG A 832 17.895 52.472 50.433 1.00 37.43 C +ATOM 945 C ARG A 832 18.501 51.070 50.365 1.00 36.65 C +ATOM 946 O ARG A 832 19.088 50.578 51.329 1.00 36.88 O +ATOM 947 CB ARG A 832 17.947 53.006 51.861 1.00 39.36 C +ATOM 948 CG ARG A 832 17.223 54.348 51.895 1.00 44.14 C +ATOM 949 CD ARG A 832 17.120 54.834 53.322 1.00 47.08 C +ATOM 950 NE ARG A 832 18.453 55.157 53.814 1.00 50.58 N +ATOM 951 CZ ARG A 832 18.774 55.199 55.100 1.00 52.81 C +ATOM 952 NH1 ARG A 832 17.849 54.933 56.016 1.00 53.20 N +ATOM 953 NH2 ARG A 832 20.017 55.498 55.470 1.00 52.87 N +ATOM 954 N LEU A 833 18.338 50.435 49.208 1.00 34.89 N +ATOM 955 CA LEU A 833 18.850 49.099 48.963 1.00 33.61 C +ATOM 956 C LEU A 833 19.830 49.165 47.818 1.00 32.70 C +ATOM 957 O LEU A 833 19.441 49.422 46.678 1.00 33.17 O +ATOM 958 CB LEU A 833 17.723 48.150 48.558 1.00 35.04 C +ATOM 959 CG LEU A 833 16.795 47.892 49.738 1.00 37.72 C +ATOM 960 CD1 LEU A 833 15.485 47.297 49.235 1.00 38.21 C +ATOM 961 CD2 LEU A 833 17.492 46.958 50.734 1.00 37.71 C +ATOM 962 N VAL A 834 21.100 48.933 48.114 1.00 30.42 N +ATOM 963 CA VAL A 834 22.114 48.939 47.079 1.00 27.52 C +ATOM 964 C VAL A 834 22.076 47.525 46.497 1.00 27.58 C +ATOM 965 O VAL A 834 22.238 46.553 47.221 1.00 27.89 O +ATOM 966 CB VAL A 834 23.510 49.235 47.677 1.00 26.50 C +ATOM 967 CG1 VAL A 834 24.539 49.296 46.580 1.00 24.96 C +ATOM 968 CG2 VAL A 834 23.478 50.554 48.460 1.00 24.42 C +ATOM 969 N HIS A 835 21.840 47.413 45.195 1.00 28.48 N +ATOM 970 CA HIS A 835 21.771 46.112 44.533 1.00 28.03 C +ATOM 971 C HIS A 835 23.062 45.310 44.723 1.00 29.39 C +ATOM 972 O HIS A 835 23.029 44.176 45.215 1.00 27.71 O +ATOM 973 CB HIS A 835 21.494 46.318 43.047 1.00 27.94 C +ATOM 974 CG HIS A 835 21.150 45.013 42.397 1.00 30.58 C +ATOM 975 ND1 HIS A 835 22.004 43.931 42.397 1.00 30.20 N +ATOM 976 CD2 HIS A 835 20.047 44.624 41.713 1.00 29.13 C +ATOM 977 CE1 HIS A 835 21.441 42.931 41.740 1.00 31.38 C +ATOM 978 NE2 HIS A 835 20.254 43.326 41.315 1.00 29.05 N +ATOM 979 N ARG A 836 24.182 45.915 44.314 1.00 30.04 N +ATOM 980 CA ARG A 836 25.536 45.342 44.406 1.00 31.80 C +ATOM 981 C ARG A 836 25.923 44.307 43.350 1.00 32.72 C +ATOM 982 O ARG A 836 27.079 43.882 43.295 1.00 33.79 O +ATOM 983 CB ARG A 836 25.792 44.726 45.789 1.00 31.84 C +ATOM 984 CG ARG A 836 25.970 45.808 46.854 1.00 32.33 C +ATOM 985 CD ARG A 836 26.384 45.139 48.163 1.00 33.60 C +ATOM 986 NE ARG A 836 26.376 46.108 49.262 1.00 36.56 N +ATOM 987 CZ ARG A 836 25.274 46.552 49.872 1.00 38.65 C +ATOM 988 NH1 ARG A 836 24.069 46.114 49.498 1.00 36.17 N +ATOM 989 NH2 ARG A 836 25.374 47.442 50.857 1.00 36.75 N +ATOM 990 N ASP A 837 24.980 43.894 42.513 1.00 32.50 N +ATOM 991 CA ASP A 837 25.297 42.897 41.506 1.00 33.61 C +ATOM 992 C ASP A 837 24.391 43.002 40.292 1.00 33.85 C +ATOM 993 O ASP A 837 23.959 41.997 39.737 1.00 34.02 O +ATOM 994 CB ASP A 837 25.213 41.496 42.125 1.00 35.80 C +ATOM 995 CG ASP A 837 25.620 40.441 41.105 1.00 37.77 C +ATOM 996 OD1 ASP A 837 26.394 40.774 40.181 1.00 36.47 O +ATOM 997 OD2 ASP A 837 25.173 39.275 41.238 1.00 39.18 O +ATOM 998 N LEU A 838 24.116 44.236 39.882 1.00 33.20 N +ATOM 999 CA LEU A 838 23.268 44.492 38.725 1.00 31.66 C +ATOM 1000 C LEU A 838 24.038 44.125 37.461 1.00 30.54 C +ATOM 1001 O LEU A 838 25.200 44.512 37.291 1.00 29.46 O +ATOM 1002 CB LEU A 838 22.866 45.971 38.684 1.00 30.80 C +ATOM 1003 CG LEU A 838 21.961 46.244 37.480 1.00 31.70 C +ATOM 1004 CD1 LEU A 838 20.630 45.505 37.640 1.00 31.36 C +ATOM 1005 CD2 LEU A 838 21.729 47.755 37.370 1.00 31.79 C +ATOM 1006 N ALA A 839 23.375 43.372 36.591 1.00 28.93 N +ATOM 1007 CA ALA A 839 23.940 42.914 35.329 1.00 28.19 C +ATOM 1008 C ALA A 839 22.801 42.350 34.491 1.00 28.06 C +ATOM 1009 O ALA A 839 21.755 41.982 35.027 1.00 28.20 O +ATOM 1010 CB ALA A 839 24.986 41.830 35.579 1.00 27.55 C +ATOM 1011 N ALA A 840 23.005 42.277 33.182 1.00 27.23 N +ATOM 1012 CA ALA A 840 21.978 41.756 32.289 1.00 26.87 C +ATOM 1013 C ALA A 840 21.536 40.348 32.689 1.00 27.31 C +ATOM 1014 O ALA A 840 20.400 39.953 32.440 1.00 25.85 O +ATOM 1015 CB ALA A 840 22.487 41.763 30.857 1.00 25.86 C +ATOM 1016 N ARG A 841 22.428 39.590 33.313 1.00 27.98 N +ATOM 1017 CA ARG A 841 22.083 38.235 33.722 1.00 30.19 C +ATOM 1018 C ARG A 841 21.130 38.264 34.918 1.00 30.47 C +ATOM 1019 O ARG A 841 20.427 37.296 35.174 1.00 31.99 O +ATOM 1020 CB ARG A 841 23.353 37.423 34.057 1.00 28.66 C +ATOM 1021 CG ARG A 841 24.131 38.114 35.168 1.00 32.09 C +ATOM 1022 CD ARG A 841 25.319 37.244 35.623 1.00 32.59 C +ATOM 1023 NE ARG A 841 26.030 37.936 36.702 1.00 33.13 N +ATOM 1024 CZ ARG A 841 26.948 38.883 36.518 1.00 32.83 C +ATOM 1025 NH1 ARG A 841 27.296 39.254 35.293 1.00 33.17 N +ATOM 1026 NH2 ARG A 841 27.492 39.491 37.563 1.00 33.38 N +ATOM 1027 N ASN A 842 21.100 39.381 35.639 1.00 30.38 N +ATOM 1028 CA ASN A 842 20.224 39.525 36.802 1.00 29.85 C +ATOM 1029 C ASN A 842 18.978 40.363 36.512 1.00 29.70 C +ATOM 1030 O ASN A 842 18.439 41.013 37.402 1.00 30.27 O +ATOM 1031 CB ASN A 842 20.986 40.130 37.994 1.00 30.69 C +ATOM 1032 CG ASN A 842 21.944 39.091 38.563 1.00 30.96 C +ATOM 1033 OD1 ASN A 842 21.579 37.928 38.731 1.00 30.12 O +ATOM 1034 ND2 ASN A 842 23.171 39.511 38.871 1.00 29.83 N +ATOM 1035 N VAL A 843 18.549 40.363 35.253 1.00 29.93 N +ATOM 1036 CA VAL A 843 17.336 41.060 34.835 1.00 30.10 C +ATOM 1037 C VAL A 843 16.489 39.973 34.170 1.00 29.65 C +ATOM 1038 O VAL A 843 16.948 39.312 33.235 1.00 29.31 O +ATOM 1039 CB VAL A 843 17.619 42.175 33.803 1.00 30.65 C +ATOM 1040 CG1 VAL A 843 16.295 42.810 33.359 1.00 29.34 C +ATOM 1041 CG2 VAL A 843 18.539 43.227 34.408 1.00 30.87 C +ATOM 1042 N LEU A 844 15.268 39.780 34.656 1.00 28.40 N +ATOM 1043 CA LEU A 844 14.403 38.740 34.117 1.00 29.30 C +ATOM 1044 C LEU A 844 13.344 39.250 33.140 1.00 30.16 C +ATOM 1045 O LEU A 844 12.946 40.411 33.178 1.00 31.40 O +ATOM 1046 CB LEU A 844 13.729 37.988 35.270 1.00 28.81 C +ATOM 1047 CG LEU A 844 14.796 37.313 36.148 1.00 30.82 C +ATOM 1048 CD1 LEU A 844 14.140 36.611 37.315 1.00 26.56 C +ATOM 1049 CD2 LEU A 844 15.608 36.305 35.323 1.00 32.22 C +ATOM 1050 N VAL A 845 12.896 38.374 32.255 1.00 30.62 N +ATOM 1051 CA VAL A 845 11.885 38.750 31.285 1.00 32.14 C +ATOM 1052 C VAL A 845 10.533 38.104 31.614 1.00 32.57 C +ATOM 1053 O VAL A 845 10.356 36.893 31.443 1.00 27.92 O +ATOM 1054 CB VAL A 845 12.305 38.347 29.845 1.00 32.80 C +ATOM 1055 CG1 VAL A 845 11.267 38.841 28.839 1.00 32.47 C +ATOM 1056 CG2 VAL A 845 13.677 38.935 29.516 1.00 34.00 C +ATOM 1057 N LYS A 846 9.599 38.921 32.108 1.00 33.87 N +ATOM 1058 CA LYS A 846 8.249 38.450 32.430 1.00 36.96 C +ATOM 1059 C LYS A 846 7.525 38.228 31.095 1.00 37.28 C +ATOM 1060 O LYS A 846 6.880 37.204 30.895 1.00 38.14 O +ATOM 1061 CB LYS A 846 7.505 39.481 33.279 1.00 37.79 C +ATOM 1062 CG LYS A 846 6.214 38.854 33.782 1.00 41.34 C +ATOM 1063 CD LYS A 846 5.736 39.598 35.017 1.00 43.70 C +ATOM 1064 CE LYS A 846 4.682 38.764 35.742 1.00 46.33 C +ATOM 1065 NZ LYS A 846 4.495 39.291 37.141 1.00 48.11 N +ATOM 1066 N THR A 847 7.655 39.209 30.202 1.00 38.29 N +ATOM 1067 CA THR A 847 7.118 39.194 28.837 1.00 38.99 C +ATOM 1068 C THR A 847 8.109 40.065 28.079 1.00 39.92 C +ATOM 1069 O THR A 847 8.788 40.893 28.678 1.00 41.03 O +ATOM 1070 CB THR A 847 5.734 39.880 28.685 1.00 39.89 C +ATOM 1071 OG1 THR A 847 5.852 41.270 29.021 1.00 41.05 O +ATOM 1072 CG2 THR A 847 4.675 39.201 29.564 1.00 39.07 C +ATOM 1073 N PRO A 848 8.200 39.908 26.754 1.00 41.03 N +ATOM 1074 CA PRO A 848 9.148 40.736 26.003 1.00 41.97 C +ATOM 1075 C PRO A 848 8.979 42.235 26.256 1.00 43.56 C +ATOM 1076 O PRO A 848 9.917 43.013 26.080 1.00 43.97 O +ATOM 1077 CB PRO A 848 8.853 40.346 24.568 1.00 42.18 C +ATOM 1078 CG PRO A 848 8.376 38.930 24.628 1.00 41.23 C +ATOM 1079 CD PRO A 848 7.486 38.969 25.865 1.00 40.89 C +ATOM 1080 N GLN A 849 7.781 42.624 26.681 1.00 44.42 N +ATOM 1081 CA GLN A 849 7.460 44.018 26.953 1.00 45.36 C +ATOM 1082 C GLN A 849 7.916 44.479 28.337 1.00 46.33 C +ATOM 1083 O GLN A 849 8.176 45.664 28.542 1.00 47.50 O +ATOM 1084 CB GLN A 849 5.941 44.254 26.835 1.00 46.29 C +ATOM 1085 CG GLN A 849 5.465 44.228 25.373 1.00 45.58 C +ATOM 1086 CD GLN A 849 5.522 42.811 24.822 1.00 46.56 C +ATOM 1087 OE1 GLN A 849 5.132 41.853 25.493 1.00 45.90 O +ATOM 1088 NE2 GLN A 849 5.996 42.674 23.589 1.00 46.71 N +ATOM 1089 N HIS A 850 8.002 43.557 29.290 1.00 46.16 N +ATOM 1090 CA HIS A 850 8.403 43.923 30.643 1.00 44.98 C +ATOM 1091 C HIS A 850 9.481 43.047 31.260 1.00 42.47 C +ATOM 1092 O HIS A 850 9.379 41.815 31.261 1.00 41.53 O +ATOM 1093 CB HIS A 850 7.189 43.927 31.573 1.00 49.02 C +ATOM 1094 CG HIS A 850 6.249 45.013 31.160 1.00 53.77 C +ATOM 1095 ND1 HIS A 850 5.503 44.952 30.002 1.00 56.44 N +ATOM 1096 CD2 HIS A 850 5.948 46.200 31.740 1.00 55.12 C +ATOM 1097 CE1 HIS A 850 4.784 46.054 29.886 1.00 58.09 C +ATOM 1098 NE2 HIS A 850 5.036 46.828 30.928 1.00 57.77 N +ATOM 1099 N VAL A 851 10.502 43.703 31.806 1.00 38.77 N +ATOM 1100 CA VAL A 851 11.614 43.016 32.451 1.00 35.64 C +ATOM 1101 C VAL A 851 11.658 43.447 33.917 1.00 34.57 C +ATOM 1102 O VAL A 851 11.072 44.464 34.292 1.00 33.40 O +ATOM 1103 CB VAL A 851 12.964 43.339 31.742 1.00 35.77 C +ATOM 1104 CG1 VAL A 851 12.878 42.954 30.272 1.00 34.98 C +ATOM 1105 CG2 VAL A 851 13.295 44.816 31.862 1.00 32.89 C +ATOM 1106 N LYS A 852 12.340 42.668 34.747 1.00 32.92 N +ATOM 1107 CA LYS A 852 12.416 42.971 36.171 1.00 31.54 C +ATOM 1108 C LYS A 852 13.764 42.592 36.753 1.00 30.22 C +ATOM 1109 O LYS A 852 14.312 41.535 36.445 1.00 29.57 O +ATOM 1110 CB LYS A 852 11.323 42.213 36.934 1.00 30.68 C +ATOM 1111 CG LYS A 852 9.946 42.635 36.442 1.00 32.97 C +ATOM 1112 CD LYS A 852 8.902 41.646 36.950 1.00 34.04 C +ATOM 1113 CE LYS A 852 8.919 41.636 38.462 1.00 36.61 C +ATOM 1114 NZ LYS A 852 8.217 40.429 38.949 1.00 40.94 N +ATOM 1115 N ILE A 853 14.280 43.470 37.603 1.00 29.77 N +ATOM 1116 CA ILE A 853 15.554 43.280 38.276 1.00 29.92 C +ATOM 1117 C ILE A 853 15.405 42.245 39.391 1.00 30.54 C +ATOM 1118 O ILE A 853 14.379 42.190 40.071 1.00 30.11 O +ATOM 1119 CB ILE A 853 16.026 44.605 38.909 1.00 31.82 C +ATOM 1120 CG1 ILE A 853 16.259 45.653 37.813 1.00 31.20 C +ATOM 1121 CG2 ILE A 853 17.284 44.373 39.742 1.00 29.56 C +ATOM 1122 CD1 ILE A 853 16.119 47.034 38.416 1.00 33.65 C +ATOM 1123 N THR A 854 16.429 41.424 39.575 1.00 29.23 N +ATOM 1124 CA THR A 854 16.394 40.429 40.622 1.00 29.50 C +ATOM 1125 C THR A 854 17.781 40.304 41.235 1.00 30.57 C +ATOM 1126 O THR A 854 18.698 41.027 40.859 1.00 30.25 O +ATOM 1127 CB THR A 854 15.931 39.052 40.075 1.00 30.28 C +ATOM 1128 OG1 THR A 854 15.630 38.183 41.174 1.00 28.02 O +ATOM 1129 CG2 THR A 854 17.024 38.411 39.209 1.00 27.72 C +ATOM 1130 N ASP A 855 17.920 39.396 42.197 1.00 31.94 N +ATOM 1131 CA ASP A 855 19.195 39.139 42.854 1.00 33.51 C +ATOM 1132 C ASP A 855 19.794 40.241 43.725 1.00 34.80 C +ATOM 1133 O ASP A 855 20.984 40.192 44.045 1.00 32.61 O +ATOM 1134 CB ASP A 855 20.244 38.703 41.826 1.00 34.93 C +ATOM 1135 CG ASP A 855 20.467 37.213 41.964 1.00 37.09 C +ATOM 1136 OD1 ASP A 855 20.350 36.699 43.095 1.00 37.98 O +ATOM 1137 OD2 ASP A 855 20.766 36.555 40.951 1.00 39.23 O +ATOM 1138 N PHE A 856 19.000 41.238 44.108 1.00 35.06 N +ATOM 1139 CA PHE A 856 19.541 42.270 44.977 1.00 35.81 C +ATOM 1140 C PHE A 856 19.464 41.717 46.385 1.00 37.62 C +ATOM 1141 O PHE A 856 18.761 40.731 46.634 1.00 36.58 O +ATOM 1142 CB PHE A 856 18.756 43.578 44.881 1.00 35.25 C +ATOM 1143 CG PHE A 856 17.292 43.336 45.032 1.00 34.61 C +ATOM 1144 CD1 PHE A 856 16.511 43.021 43.925 1.00 34.83 C +ATOM 1145 CD2 PHE A 856 16.687 43.430 46.273 1.00 35.00 C +ATOM 1146 CE1 PHE A 856 15.146 42.807 44.051 1.00 34.12 C +ATOM 1147 CE2 PHE A 856 15.314 43.216 46.412 1.00 36.53 C +ATOM 1148 CZ PHE A 856 14.545 42.906 45.293 1.00 35.35 C +ATOM 1149 N GLY A 857 20.206 42.333 47.298 1.00 39.52 N +ATOM 1150 CA GLY A 857 20.202 41.872 48.675 1.00 42.20 C +ATOM 1151 C GLY A 857 21.172 40.739 48.979 1.00 44.38 C +ATOM 1152 O GLY A 857 21.770 40.712 50.056 1.00 44.83 O +ATOM 1153 N LEU A 858 21.344 39.811 48.040 1.00 45.64 N +ATOM 1154 CA LEU A 858 22.229 38.676 48.257 1.00 47.30 C +ATOM 1155 C LEU A 858 23.691 39.030 48.454 1.00 48.45 C +ATOM 1156 O LEU A 858 24.345 38.484 49.342 1.00 48.71 O +ATOM 1157 CB LEU A 858 22.115 37.671 47.107 1.00 48.29 C +ATOM 1158 CG LEU A 858 20.754 36.962 47.146 1.00 49.85 C +ATOM 1159 CD1 LEU A 858 20.773 35.822 46.129 1.00 50.10 C +ATOM 1160 CD2 LEU A 858 20.455 36.416 48.538 1.00 49.43 C +ATOM 1161 N ALA A 859 24.211 39.933 47.630 1.00 49.47 N +ATOM 1162 CA ALA A 859 25.616 40.323 47.734 1.00 50.44 C +ATOM 1163 C ALA A 859 25.990 40.713 49.162 1.00 51.37 C +ATOM 1164 O ALA A 859 26.920 40.150 49.741 1.00 50.18 O +ATOM 1165 CB ALA A 859 25.915 41.466 46.783 1.00 49.42 C +ATOM 1166 N LYS A 860 25.260 41.674 49.726 1.00 52.73 N +ATOM 1167 CA LYS A 860 25.522 42.129 51.087 1.00 53.66 C +ATOM 1168 C LYS A 860 25.389 40.959 52.055 1.00 54.09 C +ATOM 1169 O LYS A 860 26.306 40.661 52.823 1.00 52.62 O +ATOM 1170 CB LYS A 860 24.541 43.245 51.485 1.00 54.09 C +ATOM 1171 CG LYS A 860 24.910 43.753 52.877 1.00 55.11 C +ATOM 1172 CD LYS A 860 24.152 45.029 53.216 1.00 54.54 C +ATOM 1173 CE LYS A 860 24.691 45.576 54.539 1.00 55.90 C +ATOM 1174 NZ LYS A 860 24.016 46.862 54.886 1.00 55.43 N +ATOM 1175 N LEU A 861 24.238 40.297 51.997 1.00 55.11 N +ATOM 1176 CA LEU A 861 23.951 39.156 52.853 1.00 55.91 C +ATOM 1177 C LEU A 861 25.095 38.148 52.890 1.00 56.15 C +ATOM 1178 O LEU A 861 25.474 37.679 53.961 1.00 56.60 O +ATOM 1179 CB LEU A 861 22.672 38.462 52.377 1.00 56.65 C +ATOM 1180 CG LEU A 861 22.398 37.214 53.225 1.00 57.34 C +ATOM 1181 CD1 LEU A 861 22.104 37.611 54.670 1.00 57.02 C +ATOM 1182 CD2 LEU A 861 21.215 36.458 52.635 1.00 57.81 C +ATOM 1183 N LEU A 862 25.651 37.828 51.726 1.00 56.31 N +ATOM 1184 CA LEU A 862 26.738 36.857 51.647 1.00 57.10 C +ATOM 1185 C LEU A 862 28.147 37.443 51.782 1.00 57.20 C +ATOM 1186 O LEU A 862 29.114 36.859 51.300 1.00 56.76 O +ATOM 1187 CB LEU A 862 26.621 36.046 50.347 1.00 57.05 C +ATOM 1188 CG LEU A 862 25.236 35.373 50.285 1.00 57.75 C +ATOM 1189 CD1 LEU A 862 25.141 34.513 49.039 1.00 57.87 C +ATOM 1190 CD2 LEU A 862 24.996 34.515 51.523 1.00 57.30 C +ATOM 1191 N GLY A 863 28.250 38.599 52.434 1.00 58.38 N +ATOM 1192 CA GLY A 863 29.542 39.232 52.671 1.00 58.81 C +ATOM 1193 C GLY A 863 30.297 39.903 51.534 1.00 59.63 C +ATOM 1194 O GLY A 863 31.502 39.698 51.389 1.00 60.12 O +ATOM 1195 N ALA A 864 29.612 40.715 50.737 1.00 59.59 N +ATOM 1196 CA ALA A 864 30.263 41.403 49.629 1.00 60.00 C +ATOM 1197 C ALA A 864 31.118 42.572 50.125 1.00 60.85 C +ATOM 1198 O ALA A 864 32.013 43.037 49.416 1.00 61.47 O +ATOM 1199 CB ALA A 864 29.219 41.905 48.641 1.00 59.07 C +ATOM 1200 N GLU A 865 30.848 43.046 51.339 1.00 61.27 N +ATOM 1201 CA GLU A 865 31.612 44.161 51.888 1.00 61.82 C +ATOM 1202 C GLU A 865 32.249 43.885 53.247 1.00 61.29 C +ATOM 1203 O GLU A 865 32.208 44.719 54.153 1.00 61.65 O +ATOM 1204 CB GLU A 865 30.745 45.428 51.946 1.00 63.07 C +ATOM 1205 CG GLU A 865 29.411 45.162 52.626 1.00 63.62 C +ATOM 1206 CD GLU A 865 28.538 46.409 52.493 1.00 64.99 C +ATOM 1207 OE1 GLU A 865 28.267 46.834 51.346 1.00 64.07 O +ATOM 1208 OE2 GLU A 865 28.125 46.965 53.533 1.00 65.03 O +ATOM 1209 N GLU A 866 32.850 42.705 53.366 1.00 60.75 N +ATOM 1210 CA GLU A 866 33.541 42.278 54.580 1.00 60.56 C +ATOM 1211 C GLU A 866 34.735 41.421 54.138 1.00 60.36 C +ATOM 1212 O GLU A 866 34.560 40.427 53.434 1.00 60.60 O +ATOM 1213 CB GLU A 866 32.598 41.470 55.465 1.00 59.50 C +ATOM 1214 N LYS A 867 35.940 41.819 54.542 1.00 60.01 N +ATOM 1215 CA LYS A 867 37.178 41.116 54.183 1.00 59.62 C +ATOM 1216 C LYS A 867 36.989 39.641 53.809 1.00 59.49 C +ATOM 1217 O LYS A 867 36.472 38.840 54.593 1.00 59.54 O +ATOM 1218 CB LYS A 867 38.197 41.241 55.323 1.00 58.18 C +ATOM 1219 N VAL A 876 33.122 37.342 42.314 1.00 46.89 N +ATOM 1220 CA VAL A 876 33.539 38.738 42.189 1.00 46.70 C +ATOM 1221 C VAL A 876 33.224 39.309 40.793 1.00 45.43 C +ATOM 1222 O VAL A 876 34.009 39.146 39.852 1.00 46.05 O +ATOM 1223 CB VAL A 876 35.035 38.861 42.492 1.00 46.23 C +ATOM 1224 N PRO A 877 32.063 39.978 40.647 1.00 43.17 N +ATOM 1225 CA PRO A 877 31.602 40.589 39.391 1.00 41.30 C +ATOM 1226 C PRO A 877 32.458 41.786 38.979 1.00 38.70 C +ATOM 1227 O PRO A 877 31.930 42.825 38.584 1.00 38.77 O +ATOM 1228 CB PRO A 877 30.178 41.012 39.727 1.00 42.08 C +ATOM 1229 CG PRO A 877 29.752 40.199 40.882 1.00 43.99 C +ATOM 1230 CD PRO A 877 31.029 40.094 41.692 1.00 42.89 C +ATOM 1231 N ILE A 878 33.772 41.626 39.075 1.00 36.85 N +ATOM 1232 CA ILE A 878 34.741 42.669 38.753 1.00 34.78 C +ATOM 1233 C ILE A 878 34.453 43.513 37.505 1.00 33.57 C +ATOM 1234 O ILE A 878 34.667 44.733 37.512 1.00 33.58 O +ATOM 1235 CB ILE A 878 36.166 42.056 38.622 1.00 35.01 C +ATOM 1236 CG1 ILE A 878 36.577 41.417 39.949 1.00 35.56 C +ATOM 1237 CG2 ILE A 878 37.181 43.131 38.245 1.00 35.65 C +ATOM 1238 CD1 ILE A 878 36.683 42.487 41.040 1.00 36.00 C +ATOM 1239 N LYS A 879 33.965 42.881 36.440 1.00 31.06 N +ATOM 1240 CA LYS A 879 33.700 43.607 35.198 1.00 29.79 C +ATOM 1241 C LYS A 879 32.424 44.456 35.182 1.00 27.63 C +ATOM 1242 O LYS A 879 32.185 45.217 34.240 1.00 24.45 O +ATOM 1243 CB LYS A 879 33.751 42.632 34.005 1.00 29.46 C +ATOM 1244 CG LYS A 879 35.193 42.121 33.921 1.00 32.19 C +ATOM 1245 CD LYS A 879 35.409 41.200 32.733 1.00 31.80 C +ATOM 1246 CE LYS A 879 36.814 40.615 32.839 1.00 33.82 C +ATOM 1247 NZ LYS A 879 37.160 39.884 31.588 1.00 35.26 N +ATOM 1248 N TRP A 880 31.623 44.335 36.233 1.00 26.34 N +ATOM 1249 CA TRP A 880 30.396 45.128 36.372 1.00 28.95 C +ATOM 1250 C TRP A 880 30.555 46.142 37.520 1.00 29.42 C +ATOM 1251 O TRP A 880 29.770 47.071 37.642 1.00 30.41 O +ATOM 1252 CB TRP A 880 29.191 44.228 36.695 1.00 26.17 C +ATOM 1253 CG TRP A 880 28.632 43.586 35.456 1.00 24.82 C +ATOM 1254 CD1 TRP A 880 27.515 43.968 34.768 1.00 24.51 C +ATOM 1255 CD2 TRP A 880 29.159 42.442 34.764 1.00 25.16 C +ATOM 1256 NE1 TRP A 880 27.309 43.131 33.689 1.00 24.73 N +ATOM 1257 CE2 TRP A 880 28.302 42.187 33.661 1.00 23.35 C +ATOM 1258 CE3 TRP A 880 30.273 41.607 34.967 1.00 25.30 C +ATOM 1259 CZ2 TRP A 880 28.523 41.132 32.760 1.00 22.23 C +ATOM 1260 CZ3 TRP A 880 30.494 40.547 34.060 1.00 25.85 C +ATOM 1261 CH2 TRP A 880 29.619 40.326 32.973 1.00 23.26 C +ATOM 1262 N MET A 881 31.582 45.949 38.346 1.00 31.16 N +ATOM 1263 CA MET A 881 31.832 46.787 39.518 1.00 31.35 C +ATOM 1264 C MET A 881 32.473 48.152 39.283 1.00 30.62 C +ATOM 1265 O MET A 881 33.291 48.331 38.388 1.00 29.77 O +ATOM 1266 CB MET A 881 32.681 46.002 40.524 1.00 31.40 C +ATOM 1267 CG MET A 881 31.908 44.776 40.988 1.00 33.52 C +ATOM 1268 SD MET A 881 32.997 43.656 41.939 1.00 39.64 S +ATOM 1269 CE MET A 881 33.739 44.784 43.140 1.00 36.31 C +ATOM 1270 N ALA A 882 32.085 49.121 40.104 1.00 30.70 N +ATOM 1271 CA ALA A 882 32.650 50.461 40.001 1.00 30.89 C +ATOM 1272 C ALA A 882 34.060 50.422 40.589 1.00 30.93 C +ATOM 1273 O ALA A 882 34.382 49.562 41.422 1.00 29.78 O +ATOM 1274 CB ALA A 882 31.783 51.468 40.767 1.00 28.63 C +ATOM 1275 N LEU A 883 34.901 51.347 40.148 1.00 31.30 N +ATOM 1276 CA LEU A 883 36.266 51.416 40.642 1.00 33.42 C +ATOM 1277 C LEU A 883 36.289 51.418 42.173 1.00 33.94 C +ATOM 1278 O LEU A 883 37.015 50.635 42.798 1.00 34.38 O +ATOM 1279 CB LEU A 883 36.958 52.679 40.116 1.00 33.79 C +ATOM 1280 CG LEU A 883 38.447 52.617 40.480 1.00 35.54 C +ATOM 1281 CD1 LEU A 883 39.076 51.397 39.810 1.00 34.10 C +ATOM 1282 CD2 LEU A 883 39.155 53.894 40.044 1.00 34.65 C +ATOM 1283 N GLU A 884 35.478 52.284 42.774 1.00 33.46 N +ATOM 1284 CA GLU A 884 35.430 52.390 44.227 1.00 33.54 C +ATOM 1285 C GLU A 884 35.042 51.068 44.888 1.00 34.41 C +ATOM 1286 O GLU A 884 35.491 50.768 46.000 1.00 35.79 O +ATOM 1287 CB GLU A 884 34.452 53.491 44.649 1.00 33.64 C +ATOM 1288 CG GLU A 884 33.035 53.042 44.357 1.00 33.21 C +ATOM 1289 CD GLU A 884 32.450 53.847 43.221 1.00 32.36 C +ATOM 1290 OE1 GLU A 884 33.147 54.054 42.207 1.00 31.14 O +ATOM 1291 OE2 GLU A 884 31.280 54.258 43.342 1.00 32.77 O +ATOM 1292 N SER A 885 34.210 50.280 44.211 1.00 32.88 N +ATOM 1293 CA SER A 885 33.786 48.989 44.749 1.00 32.94 C +ATOM 1294 C SER A 885 34.916 47.969 44.653 1.00 32.84 C +ATOM 1295 O SER A 885 35.085 47.131 45.524 1.00 32.29 O +ATOM 1296 CB SER A 885 32.561 48.454 43.992 1.00 32.06 C +ATOM 1297 OG SER A 885 31.479 49.354 44.127 1.00 28.12 O +ATOM 1298 N ILE A 886 35.686 48.039 43.579 1.00 34.88 N +ATOM 1299 CA ILE A 886 36.790 47.112 43.400 1.00 35.86 C +ATOM 1300 C ILE A 886 37.908 47.382 44.400 1.00 37.42 C +ATOM 1301 O ILE A 886 38.431 46.452 45.011 1.00 38.30 O +ATOM 1302 CB ILE A 886 37.377 47.213 41.983 1.00 35.41 C +ATOM 1303 CG1 ILE A 886 36.330 46.776 40.955 1.00 34.52 C +ATOM 1304 CG2 ILE A 886 38.646 46.359 41.886 1.00 35.86 C +ATOM 1305 CD1 ILE A 886 36.848 47.067 39.555 1.00 34.79 C +ATOM 1306 N LEU A 887 38.262 48.655 44.568 1.00 37.42 N +ATOM 1307 CA LEU A 887 39.341 49.051 45.469 1.00 37.25 C +ATOM 1308 C LEU A 887 38.981 49.091 46.950 1.00 37.43 C +ATOM 1309 O LEU A 887 39.749 48.625 47.800 1.00 37.83 O +ATOM 1310 CB LEU A 887 39.864 50.438 45.089 1.00 37.27 C +ATOM 1311 CG LEU A 887 40.209 50.498 43.600 1.00 38.48 C +ATOM 1312 CD1 LEU A 887 40.418 51.954 43.216 1.00 36.91 C +ATOM 1313 CD2 LEU A 887 41.455 49.663 43.300 1.00 37.35 C +ATOM 1314 N HIS A 888 37.816 49.639 47.264 1.00 35.89 N +ATOM 1315 CA HIS A 888 37.438 49.785 48.661 1.00 35.12 C +ATOM 1316 C HIS A 888 36.185 49.087 49.160 1.00 34.05 C +ATOM 1317 O HIS A 888 35.741 49.359 50.275 1.00 34.20 O +ATOM 1318 CB HIS A 888 37.325 51.275 48.971 1.00 34.29 C +ATOM 1319 CG HIS A 888 38.630 51.930 48.655 1.00 35.09 C +ATOM 1320 ND1 HIS A 888 39.779 51.679 49.373 1.00 34.63 N +ATOM 1321 CD2 HIS A 888 38.969 52.826 47.698 1.00 34.96 C +ATOM 1322 CE1 HIS A 888 40.771 52.395 48.874 1.00 35.70 C +ATOM 1323 NE2 HIS A 888 40.307 53.100 47.856 1.00 35.63 N +ATOM 1324 N ARG A 889 35.617 48.186 48.366 1.00 34.01 N +ATOM 1325 CA ARG A 889 34.389 47.506 48.772 1.00 32.88 C +ATOM 1326 C ARG A 889 33.324 48.555 49.104 1.00 32.00 C +ATOM 1327 O ARG A 889 32.487 48.350 49.970 1.00 32.22 O +ATOM 1328 CB ARG A 889 34.623 46.616 50.002 1.00 32.86 C +ATOM 1329 CG ARG A 889 35.633 45.526 49.681 1.00 33.65 C +ATOM 1330 CD ARG A 889 35.402 44.346 50.609 1.00 36.66 C +ATOM 1331 NE ARG A 889 36.446 43.344 50.396 1.00 40.85 N +ATOM 1332 CZ ARG A 889 37.573 43.269 51.102 1.00 43.35 C +ATOM 1333 NH1 ARG A 889 37.808 44.134 52.081 1.00 43.87 N +ATOM 1334 NH2 ARG A 889 38.475 42.338 50.819 1.00 44.05 N +ATOM 1335 N ILE A 890 33.369 49.688 48.416 1.00 31.76 N +ATOM 1336 CA ILE A 890 32.395 50.743 48.651 1.00 31.73 C +ATOM 1337 C ILE A 890 31.251 50.566 47.664 1.00 31.53 C +ATOM 1338 O ILE A 890 31.463 50.602 46.451 1.00 31.90 O +ATOM 1339 CB ILE A 890 33.031 52.148 48.464 1.00 32.80 C +ATOM 1340 CG1 ILE A 890 34.037 52.422 49.591 1.00 32.19 C +ATOM 1341 CG2 ILE A 890 31.934 53.229 48.439 1.00 32.60 C +ATOM 1342 CD1 ILE A 890 34.759 53.740 49.325 1.00 33.86 C +ATOM 1343 N TYR A 891 30.046 50.355 48.184 1.00 30.37 N +ATOM 1344 CA TYR A 891 28.872 50.172 47.335 1.00 30.77 C +ATOM 1345 C TYR A 891 27.816 51.193 47.697 1.00 30.43 C +ATOM 1346 O TYR A 891 27.386 51.255 48.840 1.00 31.01 O +ATOM 1347 CB TYR A 891 28.247 48.783 47.520 1.00 30.07 C +ATOM 1348 CG TYR A 891 29.131 47.668 46.997 1.00 30.41 C +ATOM 1349 CD1 TYR A 891 30.021 47.011 47.838 1.00 29.74 C +ATOM 1350 CD2 TYR A 891 29.031 47.233 45.674 1.00 30.76 C +ATOM 1351 CE1 TYR A 891 30.785 45.944 47.386 1.00 31.41 C +ATOM 1352 CE2 TYR A 891 29.791 46.162 45.206 1.00 30.30 C +ATOM 1353 CZ TYR A 891 30.668 45.519 46.068 1.00 31.48 C +ATOM 1354 OH TYR A 891 31.423 44.452 45.629 1.00 29.87 O +ATOM 1355 N THR A 892 27.382 51.970 46.716 1.00 30.33 N +ATOM 1356 CA THR A 892 26.357 52.978 46.932 1.00 30.00 C +ATOM 1357 C THR A 892 25.407 52.924 45.752 1.00 31.17 C +ATOM 1358 O THR A 892 25.587 52.114 44.835 1.00 32.02 O +ATOM 1359 CB THR A 892 26.954 54.388 46.957 1.00 30.75 C +ATOM 1360 OG1 THR A 892 27.470 54.696 45.657 1.00 29.34 O +ATOM 1361 CG2 THR A 892 28.075 54.484 47.980 1.00 29.07 C +ATOM 1362 N HIS A 893 24.398 53.788 45.761 1.00 30.28 N +ATOM 1363 CA HIS A 893 23.465 53.824 44.652 1.00 30.75 C +ATOM 1364 C HIS A 893 24.204 54.298 43.409 1.00 31.12 C +ATOM 1365 O HIS A 893 23.817 53.957 42.286 1.00 31.57 O +ATOM 1366 CB HIS A 893 22.294 54.751 44.966 1.00 32.15 C +ATOM 1367 CG HIS A 893 21.519 54.136 46.089 1.00 33.19 C +ATOM 1368 ND1 HIS A 893 20.879 52.922 45.971 1.00 31.90 N +ATOM 1369 CD2 HIS A 893 21.314 54.548 47.362 1.00 31.68 C +ATOM 1370 CE1 HIS A 893 20.314 52.611 47.123 1.00 32.61 C +ATOM 1371 NE2 HIS A 893 20.562 53.582 47.984 1.00 32.89 N +ATOM 1372 N GLN A 894 25.273 55.075 43.606 1.00 30.11 N +ATOM 1373 CA GLN A 894 26.052 55.555 42.477 1.00 28.90 C +ATOM 1374 C GLN A 894 26.979 54.441 41.964 1.00 29.34 C +ATOM 1375 O GLN A 894 27.368 54.452 40.800 1.00 29.14 O +ATOM 1376 CB GLN A 894 26.846 56.813 42.846 1.00 29.31 C +ATOM 1377 CG GLN A 894 25.886 57.985 43.164 1.00 29.99 C +ATOM 1378 CD GLN A 894 24.892 58.248 42.012 1.00 31.63 C +ATOM 1379 OE1 GLN A 894 23.710 57.896 42.107 1.00 29.66 O +ATOM 1380 NE2 GLN A 894 25.373 58.870 40.926 1.00 28.57 N +ATOM 1381 N SER A 895 27.338 53.474 42.809 1.00 28.35 N +ATOM 1382 CA SER A 895 28.161 52.384 42.298 1.00 28.64 C +ATOM 1383 C SER A 895 27.224 51.494 41.465 1.00 28.57 C +ATOM 1384 O SER A 895 27.661 50.892 40.483 1.00 28.77 O +ATOM 1385 CB SER A 895 28.868 51.593 43.421 1.00 28.34 C +ATOM 1386 OG SER A 895 27.946 50.988 44.305 1.00 32.02 O +ATOM 1387 N ASP A 896 25.938 51.443 41.844 1.00 26.79 N +ATOM 1388 CA ASP A 896 24.920 50.684 41.097 1.00 25.48 C +ATOM 1389 C ASP A 896 24.714 51.332 39.719 1.00 25.70 C +ATOM 1390 O ASP A 896 24.369 50.656 38.740 1.00 27.12 O +ATOM 1391 CB ASP A 896 23.556 50.699 41.812 1.00 25.51 C +ATOM 1392 CG ASP A 896 23.411 49.561 42.814 1.00 28.72 C +ATOM 1393 OD1 ASP A 896 24.236 48.615 42.800 1.00 28.75 O +ATOM 1394 OD2 ASP A 896 22.447 49.611 43.613 1.00 28.83 O +ATOM 1395 N VAL A 897 24.895 52.647 39.648 1.00 24.27 N +ATOM 1396 CA VAL A 897 24.728 53.357 38.379 1.00 24.69 C +ATOM 1397 C VAL A 897 25.817 52.927 37.391 1.00 23.05 C +ATOM 1398 O VAL A 897 25.598 52.878 36.192 1.00 22.89 O +ATOM 1399 CB VAL A 897 24.779 54.899 38.594 1.00 24.61 C +ATOM 1400 CG1 VAL A 897 24.825 55.618 37.263 1.00 26.98 C +ATOM 1401 CG2 VAL A 897 23.545 55.346 39.372 1.00 26.14 C +ATOM 1402 N TRP A 898 26.993 52.611 37.912 1.00 24.24 N +ATOM 1403 CA TRP A 898 28.104 52.175 37.081 1.00 23.52 C +ATOM 1404 C TRP A 898 27.672 50.836 36.479 1.00 24.03 C +ATOM 1405 O TRP A 898 27.732 50.628 35.260 1.00 23.49 O +ATOM 1406 CB TRP A 898 29.355 52.018 37.961 1.00 24.31 C +ATOM 1407 CG TRP A 898 30.535 51.481 37.196 1.00 24.24 C +ATOM 1408 CD1 TRP A 898 30.625 50.276 36.561 1.00 24.59 C +ATOM 1409 CD2 TRP A 898 31.798 52.135 36.995 1.00 24.33 C +ATOM 1410 NE1 TRP A 898 31.862 50.141 35.972 1.00 24.93 N +ATOM 1411 CE2 TRP A 898 32.601 51.266 36.223 1.00 25.74 C +ATOM 1412 CE3 TRP A 898 32.327 53.372 37.393 1.00 25.83 C +ATOM 1413 CZ2 TRP A 898 33.908 51.594 35.837 1.00 25.81 C +ATOM 1414 CZ3 TRP A 898 33.628 53.699 37.009 1.00 27.16 C +ATOM 1415 CH2 TRP A 898 34.401 52.810 36.238 1.00 27.30 C +ATOM 1416 N SER A 899 27.215 49.937 37.341 1.00 23.62 N +ATOM 1417 CA SER A 899 26.782 48.627 36.890 1.00 25.42 C +ATOM 1418 C SER A 899 25.633 48.778 35.912 1.00 25.35 C +ATOM 1419 O SER A 899 25.518 48.005 34.959 1.00 26.79 O +ATOM 1420 CB SER A 899 26.356 47.767 38.082 1.00 27.91 C +ATOM 1421 OG SER A 899 27.472 47.556 38.937 1.00 28.12 O +ATOM 1422 N TYR A 900 24.782 49.776 36.147 1.00 25.11 N +ATOM 1423 CA TYR A 900 23.653 50.033 35.258 1.00 24.09 C +ATOM 1424 C TYR A 900 24.214 50.307 33.871 1.00 23.05 C +ATOM 1425 O TYR A 900 23.684 49.828 32.872 1.00 22.98 O +ATOM 1426 CB TYR A 900 22.857 51.248 35.747 1.00 23.53 C +ATOM 1427 CG TYR A 900 21.776 51.614 34.758 1.00 22.20 C +ATOM 1428 CD1 TYR A 900 20.537 50.958 34.762 1.00 23.92 C +ATOM 1429 CD2 TYR A 900 21.969 52.657 33.854 1.00 21.56 C +ATOM 1430 CE1 TYR A 900 19.509 51.346 33.890 1.00 21.15 C +ATOM 1431 CE2 TYR A 900 20.971 53.047 32.985 1.00 22.40 C +ATOM 1432 CZ TYR A 900 19.739 52.394 33.003 1.00 23.68 C +ATOM 1433 OH TYR A 900 18.762 52.799 32.115 1.00 21.87 O +ATOM 1434 N GLY A 901 25.298 51.082 33.824 1.00 23.70 N +ATOM 1435 CA GLY A 901 25.933 51.415 32.558 1.00 23.42 C +ATOM 1436 C GLY A 901 26.429 50.202 31.784 1.00 23.92 C +ATOM 1437 O GLY A 901 26.305 50.142 30.554 1.00 23.88 O +ATOM 1438 N VAL A 902 26.981 49.231 32.505 1.00 22.65 N +ATOM 1439 CA VAL A 902 27.495 48.013 31.886 1.00 22.99 C +ATOM 1440 C VAL A 902 26.309 47.182 31.400 1.00 24.18 C +ATOM 1441 O VAL A 902 26.331 46.612 30.303 1.00 23.50 O +ATOM 1442 CB VAL A 902 28.326 47.168 32.897 1.00 22.18 C +ATOM 1443 CG1 VAL A 902 28.812 45.897 32.230 1.00 22.26 C +ATOM 1444 CG2 VAL A 902 29.505 47.977 33.421 1.00 19.25 C +ATOM 1445 N THR A 903 25.269 47.114 32.222 1.00 24.00 N +ATOM 1446 CA THR A 903 24.084 46.356 31.844 1.00 25.46 C +ATOM 1447 C THR A 903 23.536 46.890 30.518 1.00 26.21 C +ATOM 1448 O THR A 903 23.217 46.112 29.597 1.00 26.54 O +ATOM 1449 CB THR A 903 22.998 46.458 32.921 1.00 24.49 C +ATOM 1450 OG1 THR A 903 23.537 46.006 34.166 1.00 25.27 O +ATOM 1451 CG2 THR A 903 21.805 45.579 32.561 1.00 22.96 C +ATOM 1452 N VAL A 904 23.438 48.217 30.419 1.00 25.85 N +ATOM 1453 CA VAL A 904 22.951 48.855 29.194 1.00 25.60 C +ATOM 1454 C VAL A 904 23.887 48.504 28.037 1.00 24.74 C +ATOM 1455 O VAL A 904 23.440 48.219 26.930 1.00 26.01 O +ATOM 1456 CB VAL A 904 22.883 50.392 29.353 1.00 25.77 C +ATOM 1457 CG1 VAL A 904 22.611 51.060 28.002 1.00 23.44 C +ATOM 1458 CG2 VAL A 904 21.804 50.752 30.345 1.00 25.42 C +ATOM 1459 N TRP A 905 25.190 48.517 28.299 1.00 24.99 N +ATOM 1460 CA TRP A 905 26.176 48.184 27.267 1.00 24.42 C +ATOM 1461 C TRP A 905 25.921 46.750 26.775 1.00 25.07 C +ATOM 1462 O TRP A 905 25.991 46.484 25.573 1.00 24.21 O +ATOM 1463 CB TRP A 905 27.586 48.311 27.846 1.00 25.45 C +ATOM 1464 CG TRP A 905 28.618 48.013 26.822 1.00 26.79 C +ATOM 1465 CD1 TRP A 905 29.179 48.885 25.936 1.00 25.19 C +ATOM 1466 CD2 TRP A 905 29.252 46.751 26.603 1.00 27.62 C +ATOM 1467 NE1 TRP A 905 30.131 48.248 25.184 1.00 27.71 N +ATOM 1468 CE2 TRP A 905 30.198 46.935 25.572 1.00 27.72 C +ATOM 1469 CE3 TRP A 905 29.113 45.481 27.180 1.00 27.98 C +ATOM 1470 CZ2 TRP A 905 31.008 45.894 25.103 1.00 27.63 C +ATOM 1471 CZ3 TRP A 905 29.919 44.444 26.714 1.00 28.56 C +ATOM 1472 CH2 TRP A 905 30.856 44.661 25.683 1.00 27.71 C +ATOM 1473 N GLU A 906 25.618 45.838 27.704 1.00 25.72 N +ATOM 1474 CA GLU A 906 25.315 44.445 27.353 1.00 27.36 C +ATOM 1475 C GLU A 906 24.097 44.364 26.434 1.00 27.40 C +ATOM 1476 O GLU A 906 24.069 43.570 25.503 1.00 28.83 O +ATOM 1477 CB GLU A 906 25.011 43.605 28.593 1.00 27.26 C +ATOM 1478 CG GLU A 906 26.218 43.445 29.477 1.00 30.13 C +ATOM 1479 CD GLU A 906 25.817 42.574 30.660 1.00 33.40 C +ATOM 1480 OE1 GLU A 906 25.776 41.332 30.502 1.00 34.08 O +ATOM 1481 OE2 GLU A 906 25.524 43.130 31.746 1.00 34.38 O +ATOM 1482 N LEU A 907 23.083 45.177 26.705 1.00 29.93 N +ATOM 1483 CA LEU A 907 21.871 45.166 25.878 1.00 30.69 C +ATOM 1484 C LEU A 907 22.157 45.632 24.459 1.00 29.86 C +ATOM 1485 O LEU A 907 21.812 44.954 23.484 1.00 30.81 O +ATOM 1486 CB LEU A 907 20.780 46.071 26.477 1.00 29.26 C +ATOM 1487 CG LEU A 907 20.385 45.590 27.874 1.00 32.84 C +ATOM 1488 CD1 LEU A 907 19.239 46.463 28.370 1.00 32.47 C +ATOM 1489 CD2 LEU A 907 19.967 44.112 27.860 1.00 32.73 C +ATOM 1490 N MET A 908 22.781 46.799 24.360 1.00 30.01 N +ATOM 1491 CA MET A 908 23.112 47.412 23.078 1.00 30.24 C +ATOM 1492 C MET A 908 24.052 46.585 22.204 1.00 30.52 C +ATOM 1493 O MET A 908 24.054 46.733 20.986 1.00 31.77 O +ATOM 1494 CB MET A 908 23.712 48.799 23.314 1.00 30.91 C +ATOM 1495 CG MET A 908 22.787 49.615 24.217 1.00 32.91 C +ATOM 1496 SD MET A 908 21.225 49.923 23.382 1.00 36.57 S +ATOM 1497 CE MET A 908 20.506 51.190 24.416 1.00 37.60 C +ATOM 1498 N THR A 909 24.864 45.729 22.815 1.00 31.10 N +ATOM 1499 CA THR A 909 25.775 44.887 22.044 1.00 31.07 C +ATOM 1500 C THR A 909 25.136 43.517 21.880 1.00 33.57 C +ATOM 1501 O THR A 909 25.802 42.551 21.487 1.00 33.66 O +ATOM 1502 CB THR A 909 27.124 44.679 22.752 1.00 28.69 C +ATOM 1503 OG1 THR A 909 26.898 44.035 24.010 1.00 27.67 O +ATOM 1504 CG2 THR A 909 27.833 46.003 22.964 1.00 28.69 C +ATOM 1505 N PHE A 910 23.850 43.427 22.211 1.00 33.47 N +ATOM 1506 CA PHE A 910 23.133 42.167 22.088 1.00 34.51 C +ATOM 1507 C PHE A 910 23.801 41.031 22.855 1.00 34.79 C +ATOM 1508 O PHE A 910 23.834 39.891 22.380 1.00 35.57 O +ATOM 1509 CB PHE A 910 23.000 41.776 20.610 1.00 33.81 C +ATOM 1510 CG PHE A 910 22.167 42.805 19.908 1.00 34.18 C +ATOM 1511 CD1 PHE A 910 20.793 42.848 20.095 1.00 35.05 C +ATOM 1512 CD2 PHE A 910 22.763 43.765 19.097 1.00 34.60 C +ATOM 1513 CE1 PHE A 910 20.012 43.843 19.483 1.00 36.38 C +ATOM 1514 CE2 PHE A 910 22.003 44.760 18.483 1.00 35.54 C +ATOM 1515 CZ PHE A 910 20.619 44.800 18.677 1.00 36.32 C +ATOM 1516 N GLY A 911 24.355 41.342 24.024 1.00 33.21 N +ATOM 1517 CA GLY A 911 24.966 40.302 24.831 1.00 32.54 C +ATOM 1518 C GLY A 911 26.470 40.078 24.828 1.00 33.08 C +ATOM 1519 O GLY A 911 26.919 39.022 25.271 1.00 33.01 O +ATOM 1520 N SER A 912 27.253 41.038 24.345 1.00 33.18 N +ATOM 1521 CA SER A 912 28.708 40.883 24.340 1.00 33.11 C +ATOM 1522 C SER A 912 29.219 40.816 25.768 1.00 35.31 C +ATOM 1523 O SER A 912 28.571 41.315 26.690 1.00 36.49 O +ATOM 1524 CB SER A 912 29.391 42.067 23.656 1.00 31.02 C +ATOM 1525 OG SER A 912 29.066 42.078 22.283 1.00 31.68 O +ATOM 1526 N LYS A 913 30.381 40.198 25.948 1.00 35.98 N +ATOM 1527 CA LYS A 913 30.998 40.103 27.264 1.00 36.17 C +ATOM 1528 C LYS A 913 31.857 41.352 27.423 1.00 36.37 C +ATOM 1529 O LYS A 913 32.656 41.681 26.543 1.00 36.66 O +ATOM 1530 CB LYS A 913 31.878 38.854 27.355 1.00 37.51 C +ATOM 1531 CG LYS A 913 31.041 37.603 27.084 1.00 37.84 C +ATOM 1532 CD LYS A 913 31.930 36.367 27.201 1.00 40.09 C +ATOM 1533 CE LYS A 913 32.370 36.197 28.656 1.00 41.89 C +ATOM 1534 NZ LYS A 913 33.435 35.160 28.749 1.00 43.62 N +ATOM 1535 N PRO A 914 31.695 42.077 28.540 1.00 36.61 N +ATOM 1536 CA PRO A 914 32.480 43.293 28.769 1.00 37.20 C +ATOM 1537 C PRO A 914 33.964 42.999 28.996 1.00 37.60 C +ATOM 1538 O PRO A 914 34.316 42.042 29.681 1.00 36.82 O +ATOM 1539 CB PRO A 914 31.789 43.905 29.981 1.00 36.81 C +ATOM 1540 CG PRO A 914 31.200 42.780 30.724 1.00 35.43 C +ATOM 1541 CD PRO A 914 30.707 41.866 29.620 1.00 36.44 C +ATOM 1542 N TYR A 915 34.825 43.833 28.417 1.00 39.42 N +ATOM 1543 CA TYR A 915 36.274 43.661 28.516 1.00 40.75 C +ATOM 1544 C TYR A 915 36.625 42.201 28.238 1.00 42.67 C +ATOM 1545 O TYR A 915 37.487 41.627 28.902 1.00 41.90 O +ATOM 1546 CB TYR A 915 36.794 44.023 29.913 1.00 39.11 C +ATOM 1547 CG TYR A 915 36.154 45.283 30.445 1.00 37.04 C +ATOM 1548 CD1 TYR A 915 35.107 45.216 31.361 1.00 37.07 C +ATOM 1549 CD2 TYR A 915 36.622 46.542 30.072 1.00 35.97 C +ATOM 1550 CE1 TYR A 915 34.546 46.370 31.899 1.00 37.11 C +ATOM 1551 CE2 TYR A 915 36.064 47.706 30.603 1.00 35.79 C +ATOM 1552 CZ TYR A 915 35.031 47.610 31.517 1.00 36.73 C +ATOM 1553 OH TYR A 915 34.492 48.745 32.073 1.00 37.80 O +ATOM 1554 N ASP A 916 35.946 41.600 27.267 1.00 45.88 N +ATOM 1555 CA ASP A 916 36.184 40.203 26.930 1.00 49.44 C +ATOM 1556 C ASP A 916 37.671 39.949 26.686 1.00 51.38 C +ATOM 1557 O ASP A 916 38.313 40.661 25.917 1.00 51.68 O +ATOM 1558 CB ASP A 916 35.376 39.816 25.689 1.00 50.55 C +ATOM 1559 CG ASP A 916 35.335 38.302 25.553 1.00 52.40 C +ATOM 1560 OD1 ASP A 916 35.788 37.609 26.494 1.00 52.68 O +ATOM 1561 OD2 ASP A 916 34.840 37.807 24.510 1.00 52.16 O +ATOM 1562 N GLY A 917 38.213 38.938 27.359 1.00 53.00 N +ATOM 1563 CA GLY A 917 39.619 38.611 27.197 1.00 54.60 C +ATOM 1564 C GLY A 917 40.498 39.162 28.306 1.00 54.82 C +ATOM 1565 O GLY A 917 41.304 38.435 28.889 1.00 55.84 O +ATOM 1566 N ILE A 918 40.337 40.449 28.594 1.00 54.58 N +ATOM 1567 CA ILE A 918 41.107 41.133 29.630 1.00 53.49 C +ATOM 1568 C ILE A 918 40.930 40.484 31.006 1.00 53.27 C +ATOM 1569 O ILE A 918 39.803 40.283 31.473 1.00 54.87 O +ATOM 1570 CB ILE A 918 40.690 42.602 29.716 1.00 53.04 C +ATOM 1571 CG1 ILE A 918 40.730 43.223 28.317 1.00 53.60 C +ATOM 1572 CG2 ILE A 918 41.605 43.346 30.678 1.00 53.87 C +ATOM 1573 CD1 ILE A 918 40.027 44.570 28.328 1.00 55.07 C +ATOM 1574 N PRO A 919 42.046 40.163 31.680 1.00 51.79 N +ATOM 1575 CA PRO A 919 42.031 39.532 33.005 1.00 50.88 C +ATOM 1576 C PRO A 919 41.431 40.423 34.094 1.00 50.27 C +ATOM 1577 O PRO A 919 41.764 41.602 34.201 1.00 50.05 O +ATOM 1578 CB PRO A 919 43.504 39.233 33.250 1.00 51.68 C +ATOM 1579 CG PRO A 919 44.177 39.271 31.906 1.00 51.40 C +ATOM 1580 CD PRO A 919 43.429 40.393 31.226 1.00 51.37 C +ATOM 1581 N ALA A 920 40.559 39.839 34.907 1.00 49.53 N +ATOM 1582 CA ALA A 920 39.892 40.562 35.983 1.00 49.46 C +ATOM 1583 C ALA A 920 40.824 41.381 36.874 1.00 49.65 C +ATOM 1584 O ALA A 920 40.506 42.520 37.238 1.00 48.57 O +ATOM 1585 CB ALA A 920 39.096 39.589 36.832 1.00 48.15 C +ATOM 1586 N SER A 921 41.970 40.800 37.222 1.00 49.93 N +ATOM 1587 CA SER A 921 42.936 41.461 38.097 1.00 49.79 C +ATOM 1588 C SER A 921 43.491 42.764 37.534 1.00 49.10 C +ATOM 1589 O SER A 921 43.955 43.616 38.290 1.00 49.00 O +ATOM 1590 CB SER A 921 44.095 40.514 38.405 1.00 49.77 C +ATOM 1591 OG SER A 921 44.782 40.220 37.202 1.00 52.06 O +ATOM 1592 N GLU A 922 43.437 42.919 36.214 1.00 49.22 N +ATOM 1593 CA GLU A 922 43.952 44.123 35.558 1.00 49.33 C +ATOM 1594 C GLU A 922 42.888 45.184 35.259 1.00 47.11 C +ATOM 1595 O GLU A 922 43.201 46.246 34.719 1.00 47.08 O +ATOM 1596 CB GLU A 922 44.664 43.742 34.254 1.00 51.64 C +ATOM 1597 CG GLU A 922 45.903 42.909 34.582 1.00 56.99 C +ATOM 1598 CD GLU A 922 46.598 42.491 33.298 1.00 60.21 C +ATOM 1599 OE1 GLU A 922 47.602 41.742 33.373 1.00 62.24 O +ATOM 1600 OE2 GLU A 922 46.142 42.910 32.210 1.00 62.68 O +ATOM 1601 N ILE A 923 41.640 44.902 35.618 1.00 45.00 N +ATOM 1602 CA ILE A 923 40.539 45.826 35.360 1.00 42.53 C +ATOM 1603 C ILE A 923 40.673 47.172 36.067 1.00 41.54 C +ATOM 1604 O ILE A 923 40.518 48.223 35.437 1.00 39.78 O +ATOM 1605 CB ILE A 923 39.179 45.182 35.731 1.00 41.33 C +ATOM 1606 CG1 ILE A 923 38.970 43.917 34.890 1.00 40.04 C +ATOM 1607 CG2 ILE A 923 38.029 46.176 35.496 1.00 40.42 C +ATOM 1608 CD1 ILE A 923 38.937 44.273 33.412 1.00 37.92 C +ATOM 1609 N SER A 924 40.958 47.151 37.365 1.00 41.09 N +ATOM 1610 CA SER A 924 41.108 48.403 38.105 1.00 41.79 C +ATOM 1611 C SER A 924 42.173 49.274 37.437 1.00 42.08 C +ATOM 1612 O SER A 924 42.065 50.504 37.413 1.00 41.90 O +ATOM 1613 CB SER A 924 41.500 48.130 39.561 1.00 42.25 C +ATOM 1614 OG SER A 924 42.787 47.547 39.612 1.00 42.77 O +ATOM 1615 N SER A 925 43.190 48.615 36.887 1.00 41.93 N +ATOM 1616 CA SER A 925 44.300 49.275 36.210 1.00 42.14 C +ATOM 1617 C SER A 925 43.881 50.019 34.938 1.00 41.40 C +ATOM 1618 O SER A 925 44.189 51.204 34.776 1.00 41.21 O +ATOM 1619 CB SER A 925 45.381 48.243 35.867 1.00 43.63 C +ATOM 1620 OG SER A 925 46.365 48.843 35.035 1.00 46.70 O +ATOM 1621 N ILE A 926 43.200 49.331 34.025 1.00 39.61 N +ATOM 1622 CA ILE A 926 42.764 49.986 32.797 1.00 39.96 C +ATOM 1623 C ILE A 926 41.733 51.079 33.095 1.00 39.42 C +ATOM 1624 O ILE A 926 41.762 52.140 32.468 1.00 40.15 O +ATOM 1625 CB ILE A 926 42.163 48.982 31.783 1.00 41.72 C +ATOM 1626 CG1 ILE A 926 40.828 48.444 32.294 1.00 43.23 C +ATOM 1627 CG2 ILE A 926 43.142 47.836 31.553 1.00 41.90 C +ATOM 1628 CD1 ILE A 926 40.230 47.523 31.263 1.00 46.26 C +ATOM 1629 N LEU A 927 40.828 50.827 34.042 1.00 37.50 N +ATOM 1630 CA LEU A 927 39.823 51.826 34.407 1.00 38.00 C +ATOM 1631 C LEU A 927 40.506 53.103 34.875 1.00 39.14 C +ATOM 1632 O LEU A 927 40.068 54.206 34.550 1.00 38.28 O +ATOM 1633 CB LEU A 927 38.922 51.321 35.536 1.00 36.26 C +ATOM 1634 CG LEU A 927 38.026 50.184 35.044 1.00 36.01 C +ATOM 1635 CD1 LEU A 927 37.278 49.631 36.240 1.00 35.89 C +ATOM 1636 CD2 LEU A 927 37.056 50.675 33.967 1.00 35.80 C +ATOM 1637 N GLU A 928 41.577 52.950 35.650 1.00 41.40 N +ATOM 1638 CA GLU A 928 42.310 54.104 36.145 1.00 43.70 C +ATOM 1639 C GLU A 928 43.016 54.804 34.991 1.00 44.94 C +ATOM 1640 O GLU A 928 43.267 56.001 35.055 1.00 45.87 O +ATOM 1641 CB GLU A 928 43.315 53.685 37.219 1.00 44.99 C +ATOM 1642 CG GLU A 928 42.565 53.369 38.499 1.00 48.16 C +ATOM 1643 CD GLU A 928 43.542 53.092 39.627 1.00 50.93 C +ATOM 1644 OE1 GLU A 928 44.272 52.073 39.563 1.00 51.29 O +ATOM 1645 OE2 GLU A 928 43.578 53.901 40.580 1.00 52.14 O +ATOM 1646 N LYS A 929 43.325 54.056 33.935 1.00 45.69 N +ATOM 1647 CA LYS A 929 43.974 54.623 32.753 1.00 46.51 C +ATOM 1648 C LYS A 929 42.974 55.395 31.890 1.00 45.98 C +ATOM 1649 O LYS A 929 43.366 56.118 30.971 1.00 46.14 O +ATOM 1650 CB LYS A 929 44.579 53.526 31.876 1.00 48.42 C +ATOM 1651 CG LYS A 929 45.756 52.855 32.539 1.00 50.75 C +ATOM 1652 CD LYS A 929 46.297 51.812 31.566 1.00 53.67 C +ATOM 1653 CE LYS A 929 47.414 51.011 32.214 1.00 55.51 C +ATOM 1654 NZ LYS A 929 47.746 49.841 31.338 1.00 57.70 N +ATOM 1655 N GLY A 930 41.684 55.213 32.157 1.00 44.45 N +ATOM 1656 CA GLY A 930 40.681 55.908 31.375 1.00 42.10 C +ATOM 1657 C GLY A 930 40.004 55.054 30.316 1.00 40.89 C +ATOM 1658 O GLY A 930 39.123 55.541 29.602 1.00 39.85 O +ATOM 1659 N GLU A 931 40.419 53.795 30.186 1.00 39.00 N +ATOM 1660 CA GLU A 931 39.789 52.896 29.218 1.00 38.55 C +ATOM 1661 C GLU A 931 38.352 52.581 29.674 1.00 34.86 C +ATOM 1662 O GLU A 931 38.083 52.482 30.867 1.00 33.25 O +ATOM 1663 CB GLU A 931 40.567 51.580 29.108 1.00 41.90 C +ATOM 1664 CG GLU A 931 41.913 51.797 28.431 1.00 49.18 C +ATOM 1665 CD GLU A 931 42.528 50.435 28.117 1.00 53.12 C +ATOM 1666 OE1 GLU A 931 41.805 49.579 27.550 1.00 55.30 O +ATOM 1667 OE2 GLU A 931 43.725 50.220 28.430 1.00 54.62 O +ATOM 1668 N ARG A 932 37.439 52.422 28.723 1.00 32.47 N +ATOM 1669 CA ARG A 932 36.044 52.108 29.031 1.00 31.25 C +ATOM 1670 C ARG A 932 35.515 51.182 27.939 1.00 31.35 C +ATOM 1671 O ARG A 932 36.126 51.075 26.882 1.00 32.16 O +ATOM 1672 CB ARG A 932 35.198 53.393 29.071 1.00 29.83 C +ATOM 1673 CG ARG A 932 35.649 54.320 30.203 1.00 28.21 C +ATOM 1674 CD ARG A 932 35.430 53.641 31.547 1.00 26.57 C +ATOM 1675 NE ARG A 932 35.534 54.631 32.617 1.00 28.53 N +ATOM 1676 CZ ARG A 932 36.659 54.982 33.239 1.00 26.55 C +ATOM 1677 NH1 ARG A 932 37.817 54.429 32.914 1.00 26.25 N +ATOM 1678 NH2 ARG A 932 36.617 55.887 34.201 1.00 23.41 N +ATOM 1679 N LEU A 933 34.395 50.505 28.190 1.00 31.80 N +ATOM 1680 CA LEU A 933 33.805 49.614 27.185 1.00 30.67 C +ATOM 1681 C LEU A 933 33.588 50.426 25.906 1.00 30.86 C +ATOM 1682 O LEU A 933 33.257 51.607 25.971 1.00 32.03 O +ATOM 1683 CB LEU A 933 32.468 49.056 27.682 1.00 28.39 C +ATOM 1684 CG LEU A 933 32.702 48.132 28.882 1.00 28.97 C +ATOM 1685 CD1 LEU A 933 31.385 47.860 29.605 1.00 27.70 C +ATOM 1686 CD2 LEU A 933 33.340 46.835 28.409 1.00 27.66 C +ATOM 1687 N PRO A 934 33.773 49.804 24.729 1.00 30.79 N +ATOM 1688 CA PRO A 934 33.600 50.489 23.441 1.00 31.10 C +ATOM 1689 C PRO A 934 32.163 50.865 23.077 1.00 32.17 C +ATOM 1690 O PRO A 934 31.205 50.230 23.515 1.00 32.64 O +ATOM 1691 CB PRO A 934 34.184 49.493 22.457 1.00 29.77 C +ATOM 1692 CG PRO A 934 33.911 48.164 23.036 1.00 28.29 C +ATOM 1693 CD PRO A 934 34.189 48.400 24.527 1.00 29.64 C +ATOM 1694 N GLN A 935 32.033 51.897 22.253 1.00 32.15 N +ATOM 1695 CA GLN A 935 30.734 52.365 21.808 1.00 32.01 C +ATOM 1696 C GLN A 935 30.049 51.289 20.977 1.00 32.96 C +ATOM 1697 O GLN A 935 30.595 50.823 19.983 1.00 31.94 O +ATOM 1698 CB GLN A 935 30.888 53.642 20.966 1.00 30.70 C +ATOM 1699 CG GLN A 935 29.553 54.012 20.329 1.00 30.95 C +ATOM 1700 CD GLN A 935 29.710 55.274 19.485 1.00 33.89 C +ATOM 1701 OE1 GLN A 935 30.792 55.867 19.428 1.00 36.24 O +ATOM 1702 NE2 GLN A 935 28.629 55.691 18.831 1.00 30.98 N +ATOM 1703 N PRO A 936 28.850 50.862 21.394 1.00 33.45 N +ATOM 1704 CA PRO A 936 28.132 49.835 20.631 1.00 34.38 C +ATOM 1705 C PRO A 936 27.776 50.376 19.239 1.00 35.84 C +ATOM 1706 O PRO A 936 27.367 51.532 19.097 1.00 36.81 O +ATOM 1707 CB PRO A 936 26.910 49.572 21.496 1.00 33.54 C +ATOM 1708 CG PRO A 936 27.367 49.843 22.904 1.00 33.76 C +ATOM 1709 CD PRO A 936 28.226 51.091 22.713 1.00 32.07 C +ATOM 1710 N PRO A 937 27.933 49.540 18.195 1.00 36.34 N +ATOM 1711 CA PRO A 937 27.651 49.879 16.794 1.00 35.05 C +ATOM 1712 C PRO A 937 26.313 50.563 16.529 1.00 34.71 C +ATOM 1713 O PRO A 937 26.241 51.489 15.724 1.00 35.15 O +ATOM 1714 CB PRO A 937 27.745 48.528 16.097 1.00 35.77 C +ATOM 1715 CG PRO A 937 28.694 47.728 16.889 1.00 36.35 C +ATOM 1716 CD PRO A 937 28.324 48.119 18.324 1.00 35.70 C +ATOM 1717 N ILE A 938 25.255 50.111 17.195 1.00 33.24 N +ATOM 1718 CA ILE A 938 23.931 50.694 16.977 1.00 32.33 C +ATOM 1719 C ILE A 938 23.677 52.004 17.718 1.00 32.49 C +ATOM 1720 O ILE A 938 22.682 52.673 17.455 1.00 31.72 O +ATOM 1721 CB ILE A 938 22.815 49.708 17.383 1.00 31.46 C +ATOM 1722 CG1 ILE A 938 22.798 49.527 18.911 1.00 29.72 C +ATOM 1723 CG2 ILE A 938 23.035 48.371 16.681 1.00 30.03 C +ATOM 1724 CD1 ILE A 938 21.587 48.691 19.327 1.00 28.06 C +ATOM 1725 N CYS A 939 24.579 52.361 18.630 1.00 32.25 N +ATOM 1726 CA CYS A 939 24.441 53.561 19.451 1.00 33.81 C +ATOM 1727 C CYS A 939 24.905 54.880 18.846 1.00 34.79 C +ATOM 1728 O CYS A 939 25.989 54.964 18.270 1.00 34.49 O +ATOM 1729 CB CYS A 939 25.203 53.387 20.769 1.00 35.11 C +ATOM 1730 SG CYS A 939 24.344 52.257 21.875 1.00 41.22 S +ATOM 1731 N THR A 940 24.077 55.911 18.984 1.00 33.80 N +ATOM 1732 CA THR A 940 24.462 57.235 18.531 1.00 34.43 C +ATOM 1733 C THR A 940 25.337 57.688 19.694 1.00 35.42 C +ATOM 1734 O THR A 940 25.216 57.152 20.795 1.00 36.24 O +ATOM 1735 CB THR A 940 23.251 58.175 18.394 1.00 32.54 C +ATOM 1736 OG1 THR A 940 22.482 58.135 19.596 1.00 32.53 O +ATOM 1737 CG2 THR A 940 22.374 57.757 17.214 1.00 32.70 C +ATOM 1738 N ILE A 941 26.224 58.650 19.472 1.00 37.00 N +ATOM 1739 CA ILE A 941 27.105 59.095 20.549 1.00 37.81 C +ATOM 1740 C ILE A 941 26.293 59.613 21.737 1.00 38.27 C +ATOM 1741 O ILE A 941 26.796 59.698 22.855 1.00 37.66 O +ATOM 1742 CB ILE A 941 28.094 60.199 20.063 1.00 37.78 C +ATOM 1743 CG1 ILE A 941 29.258 60.338 21.046 1.00 36.85 C +ATOM 1744 CG2 ILE A 941 27.385 61.543 19.951 1.00 38.20 C +ATOM 1745 CD1 ILE A 941 30.177 59.166 20.915 1.00 38.46 C +ATOM 1746 N ASP A 942 25.030 59.946 21.491 1.00 39.77 N +ATOM 1747 CA ASP A 942 24.154 60.454 22.544 1.00 40.46 C +ATOM 1748 C ASP A 942 23.852 59.371 23.585 1.00 38.99 C +ATOM 1749 O ASP A 942 23.865 59.632 24.788 1.00 39.19 O +ATOM 1750 CB ASP A 942 22.856 60.974 21.923 1.00 45.42 C +ATOM 1751 CG ASP A 942 23.188 62.107 20.966 1.00 51.00 C +ATOM 1752 OD1 ASP A 942 23.355 63.257 21.440 1.00 53.12 O +ATOM 1753 OD2 ASP A 942 23.302 61.841 19.740 1.00 53.21 O +ATOM 1754 N VAL A 943 23.579 58.158 23.126 1.00 37.24 N +ATOM 1755 CA VAL A 943 23.298 57.059 24.040 1.00 37.05 C +ATOM 1756 C VAL A 943 24.592 56.609 24.721 1.00 35.73 C +ATOM 1757 O VAL A 943 24.602 56.278 25.904 1.00 34.70 O +ATOM 1758 CB VAL A 943 22.681 55.853 23.296 1.00 37.61 C +ATOM 1759 CG1 VAL A 943 22.508 54.682 24.246 1.00 36.68 C +ATOM 1760 CG2 VAL A 943 21.346 56.246 22.699 1.00 36.19 C +ATOM 1761 N TYR A 944 25.687 56.614 23.971 1.00 35.24 N +ATOM 1762 CA TYR A 944 26.978 56.193 24.510 1.00 34.59 C +ATOM 1763 C TYR A 944 27.493 57.146 25.602 1.00 34.67 C +ATOM 1764 O TYR A 944 28.081 56.706 26.594 1.00 35.06 O +ATOM 1765 CB TYR A 944 27.987 56.068 23.359 1.00 32.33 C +ATOM 1766 CG TYR A 944 29.305 55.516 23.836 1.00 30.21 C +ATOM 1767 CD1 TYR A 944 29.364 54.362 24.621 1.00 29.22 C +ATOM 1768 CD2 TYR A 944 30.508 56.127 23.468 1.00 30.55 C +ATOM 1769 CE1 TYR A 944 30.588 53.829 25.029 1.00 28.42 C +ATOM 1770 CE2 TYR A 944 31.743 55.600 23.870 1.00 28.32 C +ATOM 1771 CZ TYR A 944 31.772 54.457 24.649 1.00 29.47 C +ATOM 1772 OH TYR A 944 32.979 53.954 25.066 1.00 29.19 O +ATOM 1773 N MET A 945 27.252 58.442 25.435 1.00 33.82 N +ATOM 1774 CA MET A 945 27.702 59.429 26.419 1.00 33.46 C +ATOM 1775 C MET A 945 27.122 59.119 27.791 1.00 33.36 C +ATOM 1776 O MET A 945 27.788 59.297 28.808 1.00 33.50 O +ATOM 1777 CB MET A 945 27.296 60.845 25.982 1.00 33.41 C +ATOM 1778 N ILE A 946 25.871 58.662 27.806 1.00 32.63 N +ATOM 1779 CA ILE A 946 25.187 58.305 29.039 1.00 30.59 C +ATOM 1780 C ILE A 946 25.922 57.146 29.696 1.00 29.80 C +ATOM 1781 O ILE A 946 26.100 57.115 30.911 1.00 29.49 O +ATOM 1782 CB ILE A 946 23.726 57.879 28.755 1.00 32.21 C +ATOM 1783 CG1 ILE A 946 22.939 59.079 28.196 1.00 31.20 C +ATOM 1784 CG2 ILE A 946 23.090 57.329 30.028 1.00 31.58 C +ATOM 1785 CD1 ILE A 946 21.533 58.676 27.871 1.00 31.37 C +ATOM 1786 N MET A 947 26.336 56.188 28.874 1.00 30.11 N +ATOM 1787 CA MET A 947 27.066 55.021 29.349 1.00 30.46 C +ATOM 1788 C MET A 947 28.397 55.470 29.929 1.00 28.97 C +ATOM 1789 O MET A 947 28.774 55.054 31.023 1.00 26.68 O +ATOM 1790 CB MET A 947 27.316 54.033 28.199 1.00 33.40 C +ATOM 1791 CG MET A 947 26.004 53.366 27.793 1.00 37.25 C +ATOM 1792 SD MET A 947 26.265 52.333 26.311 1.00 41.49 S +ATOM 1793 CE MET A 947 27.530 51.345 26.881 1.00 41.01 C +ATOM 1794 N VAL A 948 29.101 56.330 29.196 1.00 28.04 N +ATOM 1795 CA VAL A 948 30.393 56.825 29.654 1.00 28.76 C +ATOM 1796 C VAL A 948 30.226 57.595 30.961 1.00 28.88 C +ATOM 1797 O VAL A 948 30.989 57.411 31.904 1.00 29.42 O +ATOM 1798 CB VAL A 948 31.040 57.727 28.582 1.00 29.97 C +ATOM 1799 CG1 VAL A 948 32.364 58.282 29.081 1.00 29.86 C +ATOM 1800 CG2 VAL A 948 31.252 56.923 27.309 1.00 31.12 C +ATOM 1801 N LYS A 949 29.203 58.439 31.016 1.00 29.39 N +ATOM 1802 CA LYS A 949 28.914 59.233 32.198 1.00 29.63 C +ATOM 1803 C LYS A 949 28.645 58.318 33.404 1.00 29.84 C +ATOM 1804 O LYS A 949 28.917 58.690 34.545 1.00 28.93 O +ATOM 1805 CB LYS A 949 27.712 60.129 31.907 1.00 33.00 C +ATOM 1806 CG LYS A 949 27.677 61.291 32.865 1.00 38.33 C +ATOM 1807 CD LYS A 949 26.626 62.291 32.385 1.00 42.27 C +ATOM 1808 CE LYS A 949 26.450 63.393 33.426 1.00 45.23 C +ATOM 1809 NZ LYS A 949 25.817 62.830 34.668 1.00 46.27 N +ATOM 1810 N CYS A 950 28.110 57.123 33.162 1.00 29.51 N +ATOM 1811 CA CYS A 950 27.867 56.182 34.263 1.00 30.37 C +ATOM 1812 C CYS A 950 29.190 55.621 34.776 1.00 29.35 C +ATOM 1813 O CYS A 950 29.264 55.148 35.913 1.00 29.22 O +ATOM 1814 CB CYS A 950 27.009 54.985 33.816 1.00 30.25 C +ATOM 1815 SG CYS A 950 25.316 55.473 33.497 1.00 31.65 S +ATOM 1816 N TRP A 951 30.227 55.652 33.938 1.00 28.81 N +ATOM 1817 CA TRP A 951 31.527 55.105 34.332 1.00 31.98 C +ATOM 1818 C TRP A 951 32.565 56.129 34.778 1.00 34.43 C +ATOM 1819 O TRP A 951 33.765 55.917 34.606 1.00 35.85 O +ATOM 1820 CB TRP A 951 32.133 54.273 33.196 1.00 29.96 C +ATOM 1821 CG TRP A 951 31.164 53.247 32.740 1.00 27.70 C +ATOM 1822 CD1 TRP A 951 30.285 52.544 33.512 1.00 26.26 C +ATOM 1823 CD2 TRP A 951 30.983 52.786 31.400 1.00 27.60 C +ATOM 1824 NE1 TRP A 951 29.566 51.676 32.735 1.00 27.07 N +ATOM 1825 CE2 TRP A 951 29.974 51.801 31.433 1.00 26.73 C +ATOM 1826 CE3 TRP A 951 31.577 53.111 30.172 1.00 27.95 C +ATOM 1827 CZ2 TRP A 951 29.540 51.131 30.284 1.00 28.46 C +ATOM 1828 CZ3 TRP A 951 31.146 52.447 29.025 1.00 29.22 C +ATOM 1829 CH2 TRP A 951 30.134 51.465 29.091 1.00 29.18 C +ATOM 1830 N MET A 952 32.114 57.235 35.353 1.00 36.49 N +ATOM 1831 CA MET A 952 33.040 58.253 35.814 1.00 37.03 C +ATOM 1832 C MET A 952 33.628 57.871 37.169 1.00 36.35 C +ATOM 1833 O MET A 952 32.941 57.321 38.027 1.00 34.07 O +ATOM 1834 CB MET A 952 32.327 59.606 35.890 1.00 40.47 C +ATOM 1835 CG MET A 952 31.946 60.015 34.483 1.00 44.09 C +ATOM 1836 SD MET A 952 31.119 61.607 34.511 1.00 51.08 S +ATOM 1837 CE MET A 952 32.564 62.717 34.541 1.00 50.03 C +ATOM 1838 N ILE A 953 34.916 58.150 37.341 1.00 37.09 N +ATOM 1839 CA ILE A 953 35.608 57.852 38.585 1.00 35.26 C +ATOM 1840 C ILE A 953 34.885 58.542 39.738 1.00 34.94 C +ATOM 1841 O ILE A 953 34.713 57.972 40.818 1.00 33.92 O +ATOM 1842 CB ILE A 953 37.071 58.343 38.528 1.00 35.62 C +ATOM 1843 CG1 ILE A 953 37.805 57.664 37.366 1.00 36.07 C +ATOM 1844 CG2 ILE A 953 37.769 58.073 39.860 1.00 33.92 C +ATOM 1845 CD1 ILE A 953 37.881 56.170 37.598 1.00 36.81 C +ATOM 1846 N ASP A 954 34.450 59.771 39.501 1.00 34.50 N +ATOM 1847 CA ASP A 954 33.736 60.518 40.525 1.00 37.08 C +ATOM 1848 C ASP A 954 32.275 60.062 40.596 1.00 35.79 C +ATOM 1849 O ASP A 954 31.453 60.450 39.774 1.00 35.68 O +ATOM 1850 CB ASP A 954 33.826 62.013 40.217 1.00 38.39 C +ATOM 1851 CG ASP A 954 33.012 62.797 41.214 1.00 39.92 C +ATOM 1852 OD1 ASP A 954 32.697 62.252 42.295 1.00 42.31 O +ATOM 1853 OD2 ASP A 954 32.697 63.968 40.916 1.00 41.94 O +ATOM 1854 N ALA A 955 31.964 59.239 41.590 1.00 36.71 N +ATOM 1855 CA ALA A 955 30.611 58.703 41.762 1.00 37.58 C +ATOM 1856 C ALA A 955 29.504 59.760 41.767 1.00 37.99 C +ATOM 1857 O ALA A 955 28.450 59.555 41.160 1.00 38.06 O +ATOM 1858 CB ALA A 955 30.540 57.854 43.041 1.00 34.81 C +ATOM 1859 N ASP A 956 29.735 60.885 42.441 1.00 37.91 N +ATOM 1860 CA ASP A 956 28.728 61.942 42.495 1.00 38.40 C +ATOM 1861 C ASP A 956 28.485 62.623 41.156 1.00 37.92 C +ATOM 1862 O ASP A 956 27.493 63.330 40.996 1.00 38.49 O +ATOM 1863 CB ASP A 956 29.090 62.999 43.543 1.00 38.85 C +ATOM 1864 CG ASP A 956 28.927 62.401 44.920 1.00 40.63 C +ATOM 1865 OD1 ASP A 956 27.954 61.645 45.124 1.00 42.95 O +ATOM 1866 OD2 ASP A 956 29.758 62.689 45.807 1.00 43.78 O +ATOM 1867 N SER A 957 29.384 62.423 40.195 1.00 37.32 N +ATOM 1868 CA SER A 957 29.197 63.018 38.871 1.00 36.24 C +ATOM 1869 C SER A 957 28.420 62.106 37.925 1.00 34.64 C +ATOM 1870 O SER A 957 28.054 62.520 36.831 1.00 34.96 O +ATOM 1871 CB SER A 957 30.544 63.379 38.237 1.00 37.43 C +ATOM 1872 OG SER A 957 30.995 64.612 38.775 1.00 42.02 O +ATOM 1873 N ARG A 958 28.168 60.866 38.334 1.00 33.08 N +ATOM 1874 CA ARG A 958 27.420 59.943 37.482 1.00 32.25 C +ATOM 1875 C ARG A 958 25.946 60.350 37.506 1.00 32.24 C +ATOM 1876 O ARG A 958 25.494 61.024 38.431 1.00 33.17 O +ATOM 1877 CB ARG A 958 27.545 58.497 37.993 1.00 30.52 C +ATOM 1878 CG ARG A 958 28.996 58.038 37.976 1.00 29.81 C +ATOM 1879 CD ARG A 958 29.117 56.728 38.756 1.00 28.53 C +ATOM 1880 NE ARG A 958 30.529 56.452 38.989 1.00 28.80 N +ATOM 1881 CZ ARG A 958 31.002 55.651 39.940 1.00 29.50 C +ATOM 1882 NH1 ARG A 958 30.178 55.023 40.773 1.00 28.86 N +ATOM 1883 NH2 ARG A 958 32.310 55.499 40.074 1.00 29.73 N +ATOM 1884 N PRO A 959 25.177 59.947 36.486 1.00 31.81 N +ATOM 1885 CA PRO A 959 23.757 60.304 36.468 1.00 30.52 C +ATOM 1886 C PRO A 959 23.043 59.619 37.641 1.00 31.36 C +ATOM 1887 O PRO A 959 23.557 58.656 38.214 1.00 29.74 O +ATOM 1888 CB PRO A 959 23.281 59.746 35.130 1.00 30.02 C +ATOM 1889 CG PRO A 959 24.474 59.429 34.319 1.00 30.06 C +ATOM 1890 CD PRO A 959 25.526 59.074 35.345 1.00 31.73 C +ATOM 1891 N LYS A 960 21.862 60.123 37.993 1.00 31.60 N +ATOM 1892 CA LYS A 960 21.064 59.541 39.064 1.00 30.56 C +ATOM 1893 C LYS A 960 20.056 58.659 38.344 1.00 29.73 C +ATOM 1894 O LYS A 960 19.770 58.889 37.175 1.00 29.19 O +ATOM 1895 CB LYS A 960 20.331 60.637 39.851 1.00 32.42 C +ATOM 1896 CG LYS A 960 21.296 61.368 40.771 1.00 33.87 C +ATOM 1897 CD LYS A 960 21.587 60.492 41.983 1.00 38.67 C +ATOM 1898 CE LYS A 960 22.528 61.214 42.933 1.00 40.50 C +ATOM 1899 NZ LYS A 960 22.656 60.432 44.211 1.00 44.05 N +ATOM 1900 N PHE A 961 19.522 57.648 39.018 1.00 28.48 N +ATOM 1901 CA PHE A 961 18.550 56.795 38.360 1.00 29.29 C +ATOM 1902 C PHE A 961 17.355 57.618 37.910 1.00 30.44 C +ATOM 1903 O PHE A 961 16.802 57.372 36.839 1.00 30.52 O +ATOM 1904 CB PHE A 961 18.095 55.657 39.280 1.00 27.12 C +ATOM 1905 CG PHE A 961 19.139 54.568 39.272 1.00 27.53 C +ATOM 1906 CD1 PHE A 961 19.712 54.121 40.467 1.00 25.06 C +ATOM 1907 CD2 PHE A 961 19.554 53.990 38.065 1.00 24.72 C +ATOM 1908 CE1 PHE A 961 20.682 53.121 40.464 1.00 25.50 C +ATOM 1909 CE2 PHE A 961 20.523 52.984 38.048 1.00 26.76 C +ATOM 1910 CZ PHE A 961 21.093 52.544 39.252 1.00 25.37 C +ATOM 1911 N ARG A 962 16.976 58.607 38.717 1.00 31.78 N +ATOM 1912 CA ARG A 962 15.833 59.459 38.391 1.00 34.27 C +ATOM 1913 C ARG A 962 16.075 60.211 37.083 1.00 35.26 C +ATOM 1914 O ARG A 962 15.145 60.427 36.298 1.00 36.77 O +ATOM 1915 CB ARG A 962 15.552 60.455 39.549 1.00 33.43 C +ATOM 1916 N GLU A 963 17.323 60.602 36.843 1.00 35.82 N +ATOM 1917 CA GLU A 963 17.660 61.314 35.620 1.00 36.52 C +ATOM 1918 C GLU A 963 17.733 60.331 34.452 1.00 35.66 C +ATOM 1919 O GLU A 963 17.333 60.656 33.333 1.00 36.34 O +ATOM 1920 CB GLU A 963 18.996 62.048 35.777 1.00 40.49 C +ATOM 1921 CG GLU A 963 18.972 62.873 37.067 1.00 46.32 C +ATOM 1922 CD GLU A 963 20.280 63.644 37.224 1.00 49.09 C +ATOM 1923 OE1 GLU A 963 21.363 63.020 37.133 1.00 49.27 O +ATOM 1924 OE2 GLU A 963 20.221 64.878 37.449 1.00 51.95 O +ATOM 1925 N LEU A 964 18.236 59.127 34.706 1.00 33.43 N +ATOM 1926 CA LEU A 964 18.329 58.130 33.644 1.00 32.30 C +ATOM 1927 C LEU A 964 16.922 57.804 33.147 1.00 32.42 C +ATOM 1928 O LEU A 964 16.691 57.669 31.948 1.00 33.55 O +ATOM 1929 CB LEU A 964 19.038 56.870 34.159 1.00 30.15 C +ATOM 1930 CG LEU A 964 20.517 57.204 34.404 1.00 28.37 C +ATOM 1931 CD1 LEU A 964 21.167 56.160 35.293 1.00 29.12 C +ATOM 1932 CD2 LEU A 964 21.236 57.292 33.073 1.00 26.26 C +ATOM 1933 N ILE A 965 15.978 57.694 34.071 1.00 32.54 N +ATOM 1934 CA ILE A 965 14.602 57.404 33.700 1.00 33.44 C +ATOM 1935 C ILE A 965 14.111 58.440 32.691 1.00 34.22 C +ATOM 1936 O ILE A 965 13.613 58.097 31.621 1.00 35.68 O +ATOM 1937 CB ILE A 965 13.684 57.413 34.943 1.00 32.66 C +ATOM 1938 CG1 ILE A 965 14.038 56.216 35.833 1.00 30.46 C +ATOM 1939 CG2 ILE A 965 12.206 57.388 34.517 1.00 32.02 C +ATOM 1940 CD1 ILE A 965 13.232 56.245 37.107 1.00 27.87 C +ATOM 1941 N ILE A 966 14.283 59.709 33.028 1.00 36.07 N +ATOM 1942 CA ILE A 966 13.851 60.795 32.162 1.00 36.79 C +ATOM 1943 C ILE A 966 14.546 60.793 30.808 1.00 38.01 C +ATOM 1944 O ILE A 966 13.889 60.931 29.780 1.00 39.50 O +ATOM 1945 CB ILE A 966 14.071 62.159 32.845 1.00 36.35 C +ATOM 1946 CG1 ILE A 966 13.119 62.286 34.039 1.00 34.67 C +ATOM 1947 CG2 ILE A 966 13.872 63.293 31.835 1.00 34.40 C +ATOM 1948 CD1 ILE A 966 13.518 63.471 34.898 1.00 34.78 C +ATOM 1949 N GLU A 967 15.865 60.622 30.802 1.00 38.12 N +ATOM 1950 CA GLU A 967 16.616 60.612 29.548 1.00 38.73 C +ATOM 1951 C GLU A 967 16.251 59.433 28.638 1.00 37.75 C +ATOM 1952 O GLU A 967 15.975 59.621 27.452 1.00 36.27 O +ATOM 1953 CB GLU A 967 18.119 60.598 29.834 1.00 43.07 C +ATOM 1954 CG GLU A 967 18.902 60.835 28.537 1.00 48.88 C +ATOM 1955 CD GLU A 967 18.483 62.165 27.926 1.00 51.28 C +ATOM 1956 OE1 GLU A 967 18.285 63.130 28.703 1.00 54.00 O +ATOM 1957 OE2 GLU A 967 18.361 62.249 26.679 1.00 52.67 O +ATOM 1958 N PHE A 968 16.251 58.218 29.177 1.00 35.74 N +ATOM 1959 CA PHE A 968 15.895 57.070 28.357 1.00 35.36 C +ATOM 1960 C PHE A 968 14.428 57.133 27.948 1.00 34.64 C +ATOM 1961 O PHE A 968 14.062 56.680 26.868 1.00 34.06 O +ATOM 1962 CB PHE A 968 16.191 55.756 29.090 1.00 33.90 C +ATOM 1963 CG PHE A 968 17.653 55.433 28.947 1.00 32.99 C +ATOM 1964 CD1 PHE A 968 18.174 55.030 27.722 1.00 33.35 C +ATOM 1965 CD2 PHE A 968 18.512 55.524 30.036 1.00 33.13 C +ATOM 1966 CE1 PHE A 968 19.527 54.720 27.587 1.00 31.11 C +ATOM 1967 CE2 PHE A 968 19.864 55.217 29.906 1.00 31.63 C +ATOM 1968 CZ PHE A 968 20.368 54.814 28.682 1.00 30.13 C +ATOM 1969 N SER A 969 13.583 57.693 28.806 1.00 35.80 N +ATOM 1970 CA SER A 969 12.165 57.806 28.465 1.00 37.18 C +ATOM 1971 C SER A 969 12.009 58.756 27.284 1.00 37.50 C +ATOM 1972 O SER A 969 11.231 58.496 26.359 1.00 38.02 O +ATOM 1973 CB SER A 969 11.359 58.312 29.660 1.00 36.25 C +ATOM 1974 OG SER A 969 11.336 57.295 30.639 1.00 35.38 O +ATOM 1975 N LYS A 970 12.748 59.859 27.316 1.00 38.01 N +ATOM 1976 CA LYS A 970 12.702 60.815 26.218 1.00 39.34 C +ATOM 1977 C LYS A 970 13.156 60.107 24.944 1.00 39.43 C +ATOM 1978 O LYS A 970 12.517 60.216 23.897 1.00 40.97 O +ATOM 1979 CB LYS A 970 13.629 61.994 26.497 1.00 41.51 C +ATOM 1980 CG LYS A 970 13.724 62.862 25.251 1.00 45.28 C +ATOM 1981 CD LYS A 970 14.831 63.889 25.436 1.00 47.88 C +ATOM 1982 CE LYS A 970 14.936 64.754 24.190 1.00 49.61 C +ATOM 1983 NZ LYS A 970 16.028 65.754 24.373 1.00 50.56 N +ATOM 1984 N MET A 971 14.265 59.381 25.037 1.00 38.70 N +ATOM 1985 CA MET A 971 14.785 58.668 23.886 1.00 38.88 C +ATOM 1986 C MET A 971 13.784 57.632 23.397 1.00 39.64 C +ATOM 1987 O MET A 971 13.716 57.345 22.206 1.00 39.47 O +ATOM 1988 CB MET A 971 16.109 57.984 24.228 1.00 39.75 C +ATOM 1989 CG MET A 971 17.187 59.032 24.495 1.00 40.55 C +ATOM 1990 SD MET A 971 18.806 58.208 24.683 1.00 40.28 S +ATOM 1991 CE MET A 971 19.922 59.569 24.305 1.00 41.26 C +ATOM 1992 N ALA A 972 13.001 57.074 24.312 1.00 40.08 N +ATOM 1993 CA ALA A 972 12.008 56.074 23.935 1.00 41.54 C +ATOM 1994 C ALA A 972 10.834 56.657 23.131 1.00 42.67 C +ATOM 1995 O ALA A 972 10.050 55.913 22.553 1.00 42.14 O +ATOM 1996 CB ALA A 972 11.492 55.352 25.181 1.00 40.97 C +ATOM 1997 N ARG A 973 10.712 57.982 23.090 1.00 44.67 N +ATOM 1998 CA ARG A 973 9.629 58.608 22.329 1.00 46.31 C +ATOM 1999 C ARG A 973 9.978 58.669 20.849 1.00 46.80 C +ATOM 2000 O ARG A 973 9.090 58.701 19.995 1.00 47.24 O +ATOM 2001 CB ARG A 973 9.344 60.020 22.853 1.00 47.22 C +ATOM 2002 CG ARG A 973 8.538 59.919 24.137 1.00 47.68 C +ATOM 2003 CD ARG A 973 8.755 61.161 24.981 1.00 48.60 C +ATOM 2004 NE ARG A 973 8.370 60.858 26.356 1.00 49.26 N +ATOM 2005 CZ ARG A 973 8.975 61.356 27.430 1.00 48.42 C +ATOM 2006 NH1 ARG A 973 9.998 62.187 27.293 1.00 47.09 N +ATOM 2007 NH2 ARG A 973 8.558 61.012 28.642 1.00 48.48 N +ATOM 2008 N ASP A 974 11.276 58.686 20.556 1.00 46.95 N +ATOM 2009 CA ASP A 974 11.767 58.729 19.180 1.00 46.54 C +ATOM 2010 C ASP A 974 12.982 57.797 19.084 1.00 45.86 C +ATOM 2011 O ASP A 974 14.092 58.233 18.782 1.00 46.04 O +ATOM 2012 CB ASP A 974 12.180 60.155 18.824 1.00 46.93 C +ATOM 2013 CG ASP A 974 12.098 60.355 17.321 1.00 48.10 C +ATOM 2014 OD1 ASP A 974 12.197 59.359 16.566 1.00 48.04 O +ATOM 2015 OD2 ASP A 974 11.948 61.519 16.896 1.00 48.75 O +ATOM 2016 N PRO A 975 12.774 56.492 19.320 1.00 45.48 N +ATOM 2017 CA PRO A 975 13.813 55.454 19.288 1.00 45.64 C +ATOM 2018 C PRO A 975 14.780 55.409 18.100 1.00 46.33 C +ATOM 2019 O PRO A 975 15.992 55.265 18.288 1.00 45.39 O +ATOM 2020 CB PRO A 975 13.007 54.170 19.436 1.00 44.36 C +ATOM 2021 CG PRO A 975 11.665 54.467 18.938 1.00 45.76 C +ATOM 2022 CD PRO A 975 11.436 55.883 19.448 1.00 45.48 C +ATOM 2023 N GLN A 976 14.260 55.533 16.884 1.00 46.77 N +ATOM 2024 CA GLN A 976 15.113 55.474 15.704 1.00 47.01 C +ATOM 2025 C GLN A 976 16.085 56.629 15.568 1.00 46.56 C +ATOM 2026 O GLN A 976 16.988 56.587 14.734 1.00 47.11 O +ATOM 2027 CB GLN A 976 14.266 55.358 14.444 1.00 48.60 C +ATOM 2028 CG GLN A 976 13.452 54.091 14.550 1.00 51.53 C +ATOM 2029 CD GLN A 976 12.951 53.697 13.185 1.00 54.32 C +ATOM 2030 OE1 GLN A 976 12.113 52.804 13.056 1.00 56.71 O +ATOM 2031 NE2 GLN A 976 13.469 54.353 12.149 1.00 54.78 N +ATOM 2032 N ARG A 977 15.904 57.656 16.391 1.00 45.92 N +ATOM 2033 CA ARG A 977 16.793 58.816 16.378 1.00 44.61 C +ATOM 2034 C ARG A 977 18.027 58.542 17.245 1.00 43.11 C +ATOM 2035 O ARG A 977 19.105 59.084 17.008 1.00 43.38 O +ATOM 2036 CB ARG A 977 16.052 60.053 16.911 1.00 45.18 C +ATOM 2037 CG ARG A 977 17.027 61.220 17.082 1.00 46.26 C +ATOM 2038 CD ARG A 977 16.300 62.409 17.713 1.00 48.72 C +ATOM 2039 NE ARG A 977 17.264 63.436 18.117 1.00 49.62 N +ATOM 2040 CZ ARG A 977 16.957 64.514 18.842 1.00 51.07 C +ATOM 2041 NH1 ARG A 977 15.709 64.715 19.247 1.00 50.85 N +ATOM 2042 NH2 ARG A 977 17.899 65.393 19.173 1.00 51.48 N +ATOM 2043 N TYR A 978 17.870 57.683 18.243 1.00 41.90 N +ATOM 2044 CA TYR A 978 18.973 57.392 19.144 1.00 40.62 C +ATOM 2045 C TYR A 978 19.659 56.058 18.893 1.00 39.37 C +ATOM 2046 O TYR A 978 20.832 55.889 19.211 1.00 38.84 O +ATOM 2047 CB TYR A 978 18.487 57.472 20.590 1.00 40.65 C +ATOM 2048 CG TYR A 978 17.929 58.857 20.850 1.00 42.44 C +ATOM 2049 CD1 TYR A 978 16.561 59.108 20.762 1.00 42.69 C +ATOM 2050 CD2 TYR A 978 18.771 59.918 21.187 1.00 44.37 C +ATOM 2051 CE1 TYR A 978 16.044 60.379 21.007 1.00 43.91 C +ATOM 2052 CE2 TYR A 978 18.265 61.195 21.433 1.00 44.57 C +ATOM 2053 CZ TYR A 978 16.901 61.416 21.343 1.00 45.04 C +ATOM 2054 OH TYR A 978 16.394 62.670 21.599 1.00 47.05 O +ATOM 2055 N LEU A 979 18.929 55.105 18.336 1.00 39.47 N +ATOM 2056 CA LEU A 979 19.513 53.808 18.029 1.00 40.42 C +ATOM 2057 C LEU A 979 19.338 53.587 16.540 1.00 41.21 C +ATOM 2058 O LEU A 979 18.254 53.818 16.000 1.00 42.65 O +ATOM 2059 CB LEU A 979 18.820 52.680 18.799 1.00 39.02 C +ATOM 2060 CG LEU A 979 19.086 52.805 20.303 1.00 38.83 C +ATOM 2061 CD1 LEU A 979 18.379 51.656 21.012 1.00 36.17 C +ATOM 2062 CD2 LEU A 979 20.584 52.782 20.596 1.00 37.17 C +ATOM 2063 N VAL A 980 20.410 53.153 15.885 1.00 41.77 N +ATOM 2064 CA VAL A 980 20.403 52.894 14.454 1.00 42.97 C +ATOM 2065 C VAL A 980 20.529 51.396 14.180 1.00 45.27 C +ATOM 2066 O VAL A 980 21.622 50.829 14.206 1.00 43.96 O +ATOM 2067 CB VAL A 980 21.567 53.639 13.743 1.00 42.47 C +ATOM 2068 CG1 VAL A 980 21.583 53.291 12.267 1.00 41.54 C +ATOM 2069 CG2 VAL A 980 21.415 55.141 13.923 1.00 40.33 C +ATOM 2070 N ILE A 981 19.392 50.766 13.912 1.00 48.95 N +ATOM 2071 CA ILE A 981 19.333 49.337 13.624 1.00 52.86 C +ATOM 2072 C ILE A 981 18.688 49.143 12.252 1.00 55.00 C +ATOM 2073 O ILE A 981 17.711 49.818 11.926 1.00 56.43 O +ATOM 2074 CB ILE A 981 18.471 48.605 14.680 1.00 53.34 C +ATOM 2075 CG1 ILE A 981 18.997 48.911 16.086 1.00 53.83 C +ATOM 2076 CG2 ILE A 981 18.471 47.106 14.412 1.00 52.75 C +ATOM 2077 CD1 ILE A 981 18.031 48.354 17.124 1.00 52.95 C +ATOM 2078 N GLN A 982 19.228 48.231 11.446 1.00 57.56 N +ATOM 2079 CA GLN A 982 18.660 47.971 10.121 1.00 59.03 C +ATOM 2080 C GLN A 982 17.335 47.226 10.213 1.00 59.13 C +ATOM 2081 O GLN A 982 17.208 46.260 10.968 1.00 58.57 O +ATOM 2082 CB GLN A 982 19.614 47.140 9.267 1.00 60.93 C +ATOM 2083 CG GLN A 982 20.871 47.923 8.975 1.00 64.72 C +ATOM 2084 CD GLN A 982 21.599 47.243 7.834 1.00 67.22 C +ATOM 2085 OE1 GLN A 982 21.087 47.173 6.714 1.00 68.54 O +ATOM 2086 NE2 GLN A 982 22.795 46.729 8.111 1.00 68.54 N +ATOM 2087 N GLY A 983 16.353 47.675 9.437 1.00 59.78 N +ATOM 2088 CA GLY A 983 15.052 47.028 9.435 1.00 61.20 C +ATOM 2089 C GLY A 983 14.278 47.196 10.729 1.00 61.99 C +ATOM 2090 O GLY A 983 13.365 46.422 11.021 1.00 61.66 O +ATOM 2091 N ASP A 984 14.647 48.215 11.500 1.00 62.77 N +ATOM 2092 CA ASP A 984 14.006 48.512 12.776 1.00 63.68 C +ATOM 2093 C ASP A 984 12.479 48.518 12.655 1.00 64.89 C +ATOM 2094 O ASP A 984 11.777 47.887 13.447 1.00 64.73 O +ATOM 2095 CB ASP A 984 14.482 49.877 13.279 1.00 63.00 C +ATOM 2096 CG ASP A 984 14.216 50.014 14.765 1.00 62.38 C +ATOM 2097 OD1 ASP A 984 13.130 49.604 15.231 1.00 62.97 O +ATOM 2098 OD2 ASP A 984 15.097 50.548 15.466 1.00 61.85 O +ATOM 2099 N GLU A 985 11.976 49.239 11.657 1.00 66.50 N +ATOM 2100 CA GLU A 985 10.540 49.350 11.422 1.00 68.09 C +ATOM 2101 C GLU A 985 9.847 47.997 11.262 1.00 69.28 C +ATOM 2102 O GLU A 985 8.858 47.711 11.938 1.00 69.96 O +ATOM 2103 CB GLU A 985 10.289 50.212 10.190 1.00 67.23 C +ATOM 2104 N ARG A 986 10.370 47.167 10.367 1.00 70.84 N +ATOM 2105 CA ARG A 986 9.792 45.854 10.103 1.00 72.18 C +ATOM 2106 C ARG A 986 9.743 44.950 11.335 1.00 73.05 C +ATOM 2107 O ARG A 986 9.142 43.873 11.297 1.00 73.46 O +ATOM 2108 CB ARG A 986 10.565 45.168 8.975 1.00 72.04 C +ATOM 2109 N MET A 987 10.370 45.385 12.426 1.00 73.55 N +ATOM 2110 CA MET A 987 10.392 44.603 13.663 1.00 73.69 C +ATOM 2111 C MET A 987 9.275 45.022 14.612 1.00 73.68 C +ATOM 2112 O MET A 987 9.135 46.200 14.939 1.00 73.60 O +ATOM 2113 CB MET A 987 11.745 44.759 14.365 1.00 74.18 C +ATOM 2114 CG MET A 987 12.837 44.091 13.537 1.00 74.53 C +ATOM 2115 SD MET A 987 14.447 44.369 14.317 1.00 73.99 S +ATOM 2116 CE MET A 987 15.316 45.237 13.033 1.00 73.94 C +ATOM 2117 N SER A 995 7.713 32.351 21.966 1.00 71.63 N +ATOM 2118 CA SER A 995 6.313 32.020 22.222 1.00 71.82 C +ATOM 2119 C SER A 995 6.172 30.521 22.464 1.00 71.56 C +ATOM 2120 O SER A 995 5.939 30.079 23.590 1.00 71.09 O +ATOM 2121 CB SER A 995 5.447 32.447 21.033 1.00 71.74 C +ATOM 2122 N ASN A 996 6.311 29.746 21.393 1.00 70.69 N +ATOM 2123 CA ASN A 996 6.227 28.296 21.477 1.00 69.59 C +ATOM 2124 C ASN A 996 7.584 27.828 21.994 1.00 68.73 C +ATOM 2125 O ASN A 996 7.696 26.824 22.701 1.00 68.32 O +ATOM 2126 CB ASN A 996 5.942 27.718 20.085 1.00 69.91 C +ATOM 2127 CG ASN A 996 5.666 26.226 20.174 1.00 70.69 C +ATOM 2128 OD1 ASN A 996 5.323 25.705 21.240 1.00 71.99 O +ATOM 2129 ND2 ASN A 996 5.796 25.534 19.046 1.00 70.36 N +ATOM 2130 N PHE A 997 8.607 28.599 21.640 1.00 67.60 N +ATOM 2131 CA PHE A 997 9.980 28.332 22.029 1.00 66.41 C +ATOM 2132 C PHE A 997 10.160 28.302 23.556 1.00 65.97 C +ATOM 2133 O PHE A 997 10.772 27.375 24.094 1.00 65.31 O +ATOM 2134 CB PHE A 997 10.881 29.392 21.384 1.00 66.13 C +ATOM 2135 CG PHE A 997 12.308 29.232 21.821 1.00 66.36 C +ATOM 2136 CD1 PHE A 997 12.754 29.798 23.015 1.00 65.87 C +ATOM 2137 CD2 PHE A 997 13.209 28.518 21.040 1.00 66.00 C +ATOM 2138 CE1 PHE A 997 14.075 29.655 23.425 1.00 65.99 C +ATOM 2139 CE2 PHE A 997 14.534 28.367 21.441 1.00 66.00 C +ATOM 2140 CZ PHE A 997 14.967 28.939 22.638 1.00 66.08 C +ATOM 2141 N TYR A 998 9.623 29.308 24.247 1.00 64.78 N +ATOM 2142 CA TYR A 998 9.734 29.389 25.704 1.00 64.18 C +ATOM 2143 C TYR A 998 8.800 28.433 26.427 1.00 63.36 C +ATOM 2144 O TYR A 998 8.998 28.130 27.601 1.00 62.67 O +ATOM 2145 CB TYR A 998 9.465 30.817 26.187 1.00 64.44 C +ATOM 2146 CG TYR A 998 10.627 31.688 25.779 1.00 64.95 C +ATOM 2147 CD1 TYR A 998 10.710 32.217 24.492 1.00 65.15 C +ATOM 2148 CD2 TYR A 998 11.678 31.929 26.659 1.00 65.33 C +ATOM 2149 CE1 TYR A 998 11.813 32.959 24.090 1.00 64.63 C +ATOM 2150 CE2 TYR A 998 12.789 32.670 26.268 1.00 65.44 C +ATOM 2151 CZ TYR A 998 12.851 33.179 24.982 1.00 65.31 C +ATOM 2152 OH TYR A 998 13.962 33.884 24.582 1.00 64.98 O +ATOM 2153 N ARG A 999 7.770 27.974 25.729 1.00 62.83 N +ATOM 2154 CA ARG A 999 6.825 27.036 26.314 1.00 62.84 C +ATOM 2155 C ARG A 999 7.538 25.699 26.458 1.00 62.16 C +ATOM 2156 O ARG A 999 7.560 25.105 27.533 1.00 61.29 O +ATOM 2157 CB ARG A 999 5.595 26.887 25.413 1.00 63.17 C +ATOM 2158 N ALA A1000 8.126 25.239 25.360 1.00 62.44 N +ATOM 2159 CA ALA A1000 8.855 23.977 25.345 1.00 63.57 C +ATOM 2160 C ALA A1000 10.112 24.128 26.187 1.00 64.29 C +ATOM 2161 O ALA A1000 10.713 23.142 26.614 1.00 65.12 O +ATOM 2162 CB ALA A1000 9.231 23.602 23.912 1.00 61.96 C +ATOM 2163 N LEU A1001 10.500 25.375 26.424 1.00 64.75 N +ATOM 2164 CA LEU A1001 11.690 25.676 27.199 1.00 65.62 C +ATOM 2165 C LEU A1001 11.434 25.529 28.702 1.00 66.09 C +ATOM 2166 O LEU A1001 12.049 24.694 29.371 1.00 65.12 O +ATOM 2167 CB LEU A1001 12.152 27.106 26.883 1.00 66.64 C +ATOM 2168 CG LEU A1001 13.579 27.345 27.398 1.00 67.82 C +ATOM 2169 CD1 LEU A1001 14.574 26.532 26.570 1.00 67.79 C +ATOM 2170 CD2 LEU A1001 13.917 28.837 27.305 1.00 67.56 C +ATOM 2171 N MET A1002 10.503 26.327 29.217 1.00 67.07 N +ATOM 2172 CA MET A1002 10.182 26.338 30.643 1.00 67.97 C +ATOM 2173 C MET A1002 9.085 25.399 31.136 1.00 68.81 C +ATOM 2174 O MET A1002 9.126 24.968 32.289 1.00 68.37 O +ATOM 2175 CB MET A1002 9.836 27.764 31.069 1.00 68.09 C +ATOM 2176 CG MET A1002 10.946 28.686 30.620 1.00 68.30 C +ATOM 2177 SD MET A1002 12.477 28.186 31.409 1.00 67.99 S +ATOM 2178 CE MET A1002 12.639 29.477 32.610 1.00 68.26 C +ATOM 2179 N ASP A1003 8.100 25.091 30.293 1.00 69.90 N +ATOM 2180 CA ASP A1003 7.019 24.200 30.720 1.00 71.28 C +ATOM 2181 C ASP A1003 7.533 22.816 31.113 1.00 72.13 C +ATOM 2182 O ASP A1003 8.242 22.161 30.343 1.00 71.93 O +ATOM 2183 CB ASP A1003 5.953 24.053 29.627 1.00 72.08 C +ATOM 2184 CG ASP A1003 5.116 25.321 29.528 1.00 73.18 C +ATOM 2185 OD1 ASP A1003 4.713 25.854 30.585 1.00 72.36 O +ATOM 2186 OD2 ASP A1003 4.848 25.775 28.393 1.00 73.59 O +ATOM 2187 N GLU A1004 7.164 22.381 32.317 1.00 72.86 N +ATOM 2188 CA GLU A1004 7.572 21.079 32.840 1.00 73.03 C +ATOM 2189 C GLU A1004 6.587 19.983 32.442 1.00 72.55 C +ATOM 2190 O GLU A1004 5.771 20.162 31.537 1.00 72.50 O +ATOM 2191 CB GLU A1004 7.691 21.145 34.361 1.00 73.14 C +ATOM 2192 N VAL A1010 -2.228 24.851 36.861 1.00 61.92 N +ATOM 2193 CA VAL A1010 -1.101 25.773 36.939 1.00 62.72 C +ATOM 2194 C VAL A1010 -1.553 27.226 36.821 1.00 62.74 C +ATOM 2195 O VAL A1010 -2.162 27.619 35.827 1.00 62.95 O +ATOM 2196 CB VAL A1010 -0.080 25.452 35.842 1.00 62.06 C +ATOM 2197 N VAL A1011 -1.247 28.019 37.843 1.00 62.80 N +ATOM 2198 CA VAL A1011 -1.608 29.430 37.857 1.00 62.61 C +ATOM 2199 C VAL A1011 -0.402 30.310 38.187 1.00 62.57 C +ATOM 2200 O VAL A1011 0.395 29.984 39.070 1.00 62.05 O +ATOM 2201 CB VAL A1011 -2.717 29.670 38.871 1.00 62.51 C +ATOM 2202 N ASP A1012 -0.274 31.421 37.467 1.00 62.76 N +ATOM 2203 CA ASP A1012 0.810 32.374 37.685 1.00 63.65 C +ATOM 2204 C ASP A1012 0.792 32.848 39.129 1.00 64.02 C +ATOM 2205 O ASP A1012 -0.274 32.976 39.733 1.00 64.10 O +ATOM 2206 CB ASP A1012 0.638 33.597 36.777 1.00 64.67 C +ATOM 2207 CG ASP A1012 1.275 33.371 35.421 1.00 65.92 C +ATOM 2208 OD1 ASP A1012 1.494 32.200 35.043 1.00 66.78 O +ATOM 2209 OD2 ASP A1012 1.546 34.378 34.727 1.00 66.32 O +ATOM 2210 N ALA A1013 1.971 33.113 39.683 1.00 63.86 N +ATOM 2211 CA ALA A1013 2.050 33.608 41.047 1.00 65.05 C +ATOM 2212 C ALA A1013 1.214 34.884 41.078 1.00 65.88 C +ATOM 2213 O ALA A1013 0.713 35.293 42.122 1.00 65.03 O +ATOM 2214 CB ALA A1013 3.493 33.915 41.409 1.00 64.53 C +ATOM 2215 N ASP A1014 1.072 35.497 39.905 1.00 67.86 N +ATOM 2216 CA ASP A1014 0.300 36.724 39.734 1.00 69.99 C +ATOM 2217 C ASP A1014 -1.171 36.516 40.057 1.00 70.01 C +ATOM 2218 O ASP A1014 -1.724 37.182 40.930 1.00 69.94 O +ATOM 2219 CB ASP A1014 0.420 37.223 38.295 1.00 71.81 C +ATOM 2220 CG ASP A1014 1.771 37.855 38.095 1.00 73.22 C +ATOM 2221 OD1 ASP A1014 2.782 37.184 38.369 1.00 75.10 O +ATOM 2222 OD2 ASP A1014 1.821 39.024 37.661 1.00 74.82 O +ATOM 2223 N GLU A1015 -1.802 35.597 39.335 1.00 70.19 N +ATOM 2224 CA GLU A1015 -3.213 35.308 39.545 1.00 70.99 C +ATOM 2225 C GLU A1015 -3.462 34.862 40.979 1.00 71.44 C +ATOM 2226 O GLU A1015 -4.322 35.411 41.668 1.00 71.57 O +ATOM 2227 CB GLU A1015 -3.676 34.229 38.574 1.00 71.33 C +ATOM 2228 N TYR A1016 -2.697 33.870 41.422 1.00 71.76 N +ATOM 2229 CA TYR A1016 -2.830 33.329 42.769 1.00 71.93 C +ATOM 2230 C TYR A1016 -2.697 34.378 43.876 1.00 72.60 C +ATOM 2231 O TYR A1016 -3.457 34.364 44.843 1.00 72.90 O +ATOM 2232 CB TYR A1016 -1.802 32.209 42.976 1.00 71.18 C +ATOM 2233 CG TYR A1016 -1.818 31.732 44.414 1.00 70.68 C +ATOM 2234 CD1 TYR A1016 -1.045 32.367 45.391 1.00 70.46 C +ATOM 2235 CD2 TYR A1016 -2.610 30.648 44.801 1.00 70.67 C +ATOM 2236 CE1 TYR A1016 -1.060 31.933 46.717 1.00 70.44 C +ATOM 2237 CE2 TYR A1016 -2.633 30.206 46.124 1.00 70.28 C +ATOM 2238 CZ TYR A1016 -1.855 30.853 47.076 1.00 70.52 C +ATOM 2239 OH TYR A1016 -1.861 30.414 48.382 1.00 70.28 O +ATOM 2240 N LEU A1017 -1.736 35.284 43.741 1.00 73.37 N +ATOM 2241 CA LEU A1017 -1.527 36.307 44.759 1.00 73.86 C +ATOM 2242 C LEU A1017 -2.398 37.548 44.559 1.00 74.58 C +ATOM 2243 O LEU A1017 -2.192 38.570 45.216 1.00 73.75 O +ATOM 2244 CB LEU A1017 -0.056 36.700 44.798 1.00 73.83 C +ATOM 2245 N ILE A1018 -3.378 37.454 43.661 1.00 75.53 N +ATOM 2246 CA ILE A1018 -4.272 38.577 43.383 1.00 76.18 C +ATOM 2247 C ILE A1018 -5.102 38.930 44.613 1.00 76.69 C +ATOM 2248 O ILE A1018 -5.085 38.141 45.581 1.00 77.13 O +ATOM 2249 CB ILE A1018 -5.191 38.240 42.209 1.00 75.50 C +TER 2250 ILE A1018 +END diff --git a/bench/main_benchmark/structures/SFB_AL_GLNBP_1GGGA_1WDNA/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_GLNBP_1GGGA_1WDNA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..41570a6acc30be1a15e9321b416745cfc7662224 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_GLNBP_1GGGA_1WDNA/state_a.pdb @@ -0,0 +1,1716 @@ +ATOM 1 N LEU A 5 9.888 -56.161 4.597 1.00 11.43 N +ATOM 2 CA LEU A 5 8.638 -55.368 4.770 1.00 15.74 C +ATOM 3 C LEU A 5 8.247 -54.783 3.426 1.00 15.40 C +ATOM 4 O LEU A 5 9.120 -54.406 2.670 1.00 16.47 O +ATOM 5 CB LEU A 5 8.870 -54.246 5.786 1.00 10.24 C +ATOM 6 CG LEU A 5 9.191 -54.738 7.194 1.00 11.95 C +ATOM 7 CD1 LEU A 5 9.455 -53.563 8.053 1.00 8.81 C +ATOM 8 CD2 LEU A 5 8.028 -55.526 7.782 1.00 15.35 C +ATOM 9 N VAL A 6 6.963 -54.862 3.079 1.00 16.79 N +ATOM 10 CA VAL A 6 6.398 -54.229 1.880 1.00 13.57 C +ATOM 11 C VAL A 6 5.624 -52.996 2.304 1.00 13.60 C +ATOM 12 O VAL A 6 4.613 -53.132 2.972 1.00 8.66 O +ATOM 13 CB VAL A 6 5.386 -55.148 1.199 1.00 15.73 C +ATOM 14 CG1 VAL A 6 4.937 -54.539 -0.110 1.00 12.94 C +ATOM 15 CG2 VAL A 6 5.982 -56.537 1.004 1.00 17.64 C +ATOM 16 N VAL A 7 6.094 -51.809 1.929 1.00 9.96 N +ATOM 17 CA VAL A 7 5.446 -50.564 2.320 1.00 9.01 C +ATOM 18 C VAL A 7 4.806 -49.930 1.098 1.00 6.87 C +ATOM 19 O VAL A 7 5.413 -49.867 0.054 1.00 8.60 O +ATOM 20 CB VAL A 7 6.465 -49.587 2.995 1.00 12.36 C +ATOM 21 CG1 VAL A 7 7.822 -49.808 2.438 1.00 13.83 C +ATOM 22 CG2 VAL A 7 6.065 -48.116 2.797 1.00 9.85 C +ATOM 23 N ALA A 8 3.529 -49.593 1.197 1.00 13.39 N +ATOM 24 CA ALA A 8 2.773 -49.057 0.069 1.00 13.79 C +ATOM 25 C ALA A 8 2.602 -47.552 0.172 1.00 9.25 C +ATOM 26 O ALA A 8 2.500 -47.028 1.279 1.00 15.37 O +ATOM 27 CB ALA A 8 1.448 -49.689 0.031 1.00 12.95 C +ATOM 28 N THR A 9 2.586 -46.876 -0.980 1.00 11.17 N +ATOM 29 CA THR A 9 2.309 -45.447 -1.099 1.00 9.76 C +ATOM 30 C THR A 9 1.358 -45.161 -2.252 1.00 11.27 C +ATOM 31 O THR A 9 1.157 -46.000 -3.122 1.00 11.74 O +ATOM 32 CB THR A 9 3.557 -44.649 -1.423 1.00 16.25 C +ATOM 33 OG1 THR A 9 4.402 -45.395 -2.311 1.00 16.45 O +ATOM 34 CG2 THR A 9 4.289 -44.276 -0.187 1.00 21.89 C +ATOM 35 N ASP A 10 0.912 -43.916 -2.338 1.00 10.94 N +ATOM 36 CA ASP A 10 0.087 -43.441 -3.442 1.00 13.74 C +ATOM 37 C ASP A 10 0.911 -43.463 -4.735 1.00 15.06 C +ATOM 38 O ASP A 10 2.125 -43.629 -4.690 1.00 19.02 O +ATOM 39 CB ASP A 10 -0.369 -41.999 -3.147 1.00 15.41 C +ATOM 40 CG ASP A 10 -1.770 -41.707 -3.633 1.00 19.42 C +ATOM 41 OD1 ASP A 10 -2.203 -42.274 -4.658 1.00 21.59 O +ATOM 42 OD2 ASP A 10 -2.450 -40.884 -2.985 1.00 25.31 O +ATOM 43 N THR A 11 0.258 -43.262 -5.878 1.00 15.47 N +ATOM 44 CA THR A 11 0.955 -43.164 -7.162 1.00 17.91 C +ATOM 45 C THR A 11 1.383 -41.737 -7.432 1.00 13.11 C +ATOM 46 O THR A 11 2.346 -41.509 -8.165 1.00 17.17 O +ATOM 47 CB THR A 11 0.069 -43.624 -8.337 1.00 19.89 C +ATOM 48 OG1 THR A 11 -1.219 -43.985 -7.840 1.00 26.13 O +ATOM 49 CG2 THR A 11 0.670 -44.827 -9.035 1.00 24.20 C +ATOM 50 N ALA A 12 0.597 -40.783 -6.944 1.00 10.88 N +ATOM 51 CA ALA A 12 1.015 -39.392 -6.880 1.00 15.07 C +ATOM 52 C ALA A 12 0.247 -38.601 -5.834 1.00 16.92 C +ATOM 53 O ALA A 12 -0.957 -38.376 -5.971 1.00 18.82 O +ATOM 54 CB ALA A 12 0.851 -38.739 -8.220 1.00 17.27 C +ATOM 55 N PHE A 13 0.976 -38.090 -4.852 1.00 12.98 N +ATOM 56 CA PHE A 13 0.439 -37.164 -3.870 1.00 16.31 C +ATOM 57 C PHE A 13 1.552 -36.139 -3.617 1.00 15.19 C +ATOM 58 O PHE A 13 2.357 -36.311 -2.714 1.00 16.10 O +ATOM 59 CB PHE A 13 0.072 -37.936 -2.585 1.00 15.61 C +ATOM 60 CG PHE A 13 -0.553 -37.084 -1.485 1.00 21.35 C +ATOM 61 CD1 PHE A 13 -1.391 -36.012 -1.784 1.00 22.62 C +ATOM 62 CD2 PHE A 13 -0.343 -37.401 -0.138 1.00 22.88 C +ATOM 63 CE1 PHE A 13 -2.008 -35.280 -0.759 1.00 23.34 C +ATOM 64 CE2 PHE A 13 -0.954 -36.674 0.890 1.00 19.43 C +ATOM 65 CZ PHE A 13 -1.786 -35.616 0.582 1.00 21.44 C +ATOM 66 N VAL A 14 1.688 -35.161 -4.509 1.00 10.89 N +ATOM 67 CA VAL A 14 2.776 -34.186 -4.429 1.00 9.30 C +ATOM 68 C VAL A 14 2.595 -33.225 -3.228 1.00 9.34 C +ATOM 69 O VAL A 14 1.506 -32.751 -2.953 1.00 9.03 O +ATOM 70 CB VAL A 14 2.855 -33.367 -5.740 1.00 11.74 C +ATOM 71 CG1 VAL A 14 3.946 -32.344 -5.654 1.00 12.55 C +ATOM 72 CG2 VAL A 14 3.097 -34.263 -6.929 1.00 14.44 C +ATOM 73 N PRO A 15 3.665 -32.948 -2.479 1.00 12.35 N +ATOM 74 CA PRO A 15 5.036 -33.449 -2.569 1.00 11.72 C +ATOM 75 C PRO A 15 5.379 -34.583 -1.577 1.00 13.93 C +ATOM 76 O PRO A 15 6.533 -34.744 -1.195 1.00 18.82 O +ATOM 77 CB PRO A 15 5.845 -32.202 -2.289 1.00 5.84 C +ATOM 78 CG PRO A 15 5.035 -31.517 -1.262 1.00 9.84 C +ATOM 79 CD PRO A 15 3.580 -31.870 -1.485 1.00 10.51 C +ATOM 80 N PHE A 16 4.402 -35.387 -1.186 1.00 8.41 N +ATOM 81 CA PHE A 16 4.666 -36.483 -0.284 1.00 8.06 C +ATOM 82 C PHE A 16 5.243 -37.743 -0.959 1.00 9.43 C +ATOM 83 O PHE A 16 6.202 -38.330 -0.453 1.00 8.42 O +ATOM 84 CB PHE A 16 3.396 -36.818 0.461 1.00 13.56 C +ATOM 85 CG PHE A 16 2.973 -35.765 1.423 1.00 12.62 C +ATOM 86 CD1 PHE A 16 2.157 -34.730 1.015 1.00 19.89 C +ATOM 87 CD2 PHE A 16 3.354 -35.829 2.747 1.00 13.73 C +ATOM 88 CE1 PHE A 16 1.727 -33.767 1.923 1.00 16.04 C +ATOM 89 CE2 PHE A 16 2.927 -34.885 3.645 1.00 13.91 C +ATOM 90 CZ PHE A 16 2.114 -33.853 3.232 1.00 14.41 C +ATOM 91 N GLU A 17 4.682 -38.144 -2.097 1.00 12.52 N +ATOM 92 CA GLU A 17 5.309 -39.136 -2.968 1.00 6.67 C +ATOM 93 C GLU A 17 4.919 -38.967 -4.435 1.00 5.89 C +ATOM 94 O GLU A 17 3.741 -38.853 -4.764 1.00 8.72 O +ATOM 95 CB GLU A 17 4.959 -40.549 -2.512 1.00 8.35 C +ATOM 96 CG GLU A 17 3.459 -40.852 -2.452 1.00 8.92 C +ATOM 97 CD GLU A 17 2.821 -40.477 -1.131 1.00 12.62 C +ATOM 98 OE1 GLU A 17 3.519 -40.401 -0.107 1.00 9.84 O +ATOM 99 OE2 GLU A 17 1.599 -40.280 -1.108 1.00 12.75 O +ATOM 100 N PHE A 18 5.911 -38.937 -5.320 1.00 5.14 N +ATOM 101 CA PHE A 18 5.660 -38.911 -6.757 1.00 9.50 C +ATOM 102 C PHE A 18 6.898 -39.324 -7.527 1.00 10.39 C +ATOM 103 O PHE A 18 8.011 -39.141 -7.067 1.00 17.79 O +ATOM 104 CB PHE A 18 5.218 -37.514 -7.199 1.00 11.65 C +ATOM 105 CG PHE A 18 6.210 -36.421 -6.860 1.00 16.07 C +ATOM 106 CD1 PHE A 18 6.411 -36.029 -5.547 1.00 10.03 C +ATOM 107 CD2 PHE A 18 6.983 -35.835 -7.852 1.00 13.69 C +ATOM 108 CE1 PHE A 18 7.358 -35.084 -5.225 1.00 10.95 C +ATOM 109 CE2 PHE A 18 7.924 -34.894 -7.533 1.00 11.46 C +ATOM 110 CZ PHE A 18 8.111 -34.519 -6.218 1.00 13.40 C +ATOM 111 N LYS A 19 6.688 -39.933 -8.679 1.00 17.27 N +ATOM 112 CA LYS A 19 7.757 -40.517 -9.483 1.00 18.53 C +ATOM 113 C LYS A 19 8.684 -39.410 -9.874 1.00 16.86 C +ATOM 114 O LYS A 19 8.246 -38.277 -10.033 1.00 23.82 O +ATOM 115 CB LYS A 19 7.172 -41.134 -10.760 1.00 19.89 C +ATOM 116 CG LYS A 19 7.690 -42.510 -11.172 1.00 22.98 C +ATOM 117 CD LYS A 19 6.811 -43.079 -12.310 1.00 32.56 C +ATOM 118 CE LYS A 19 7.493 -43.024 -13.707 1.00 37.16 C +ATOM 119 NZ LYS A 19 8.111 -44.366 -14.175 1.00 43.17 N +ATOM 120 N GLN A 20 9.933 -39.765 -10.149 1.00 17.99 N +ATOM 121 CA GLN A 20 10.913 -38.819 -10.646 1.00 18.84 C +ATOM 122 C GLN A 20 11.956 -39.566 -11.453 1.00 22.14 C +ATOM 123 O GLN A 20 12.839 -40.223 -10.906 1.00 19.00 O +ATOM 124 CB GLN A 20 11.576 -38.108 -9.489 1.00 25.85 C +ATOM 125 CG GLN A 20 12.681 -37.175 -9.906 1.00 34.40 C +ATOM 126 CD GLN A 20 12.430 -35.762 -9.438 1.00 40.67 C +ATOM 127 OE1 GLN A 20 11.338 -35.204 -9.642 1.00 36.36 O +ATOM 128 NE2 GLN A 20 13.444 -35.159 -8.806 1.00 43.33 N +ATOM 129 N GLY A 21 11.838 -39.490 -12.770 1.00 25.64 N +ATOM 130 CA GLY A 21 12.625 -40.363 -13.613 1.00 24.65 C +ATOM 131 C GLY A 21 12.170 -41.774 -13.349 1.00 22.51 C +ATOM 132 O GLY A 21 10.966 -42.067 -13.451 1.00 26.14 O +ATOM 133 N ASP A 22 13.064 -42.542 -12.728 1.00 24.83 N +ATOM 134 CA ASP A 22 12.844 -43.972 -12.478 1.00 28.01 C +ATOM 135 C ASP A 22 12.513 -44.316 -11.018 1.00 26.08 C +ATOM 136 O ASP A 22 12.033 -45.405 -10.736 1.00 28.92 O +ATOM 137 CB ASP A 22 14.080 -44.759 -12.922 1.00 29.85 C +ATOM 138 CG ASP A 22 13.760 -45.856 -13.932 1.00 31.93 C +ATOM 139 OD1 ASP A 22 12.647 -45.842 -14.519 1.00 29.44 O +ATOM 140 OD2 ASP A 22 14.649 -46.714 -14.153 1.00 30.85 O +ATOM 141 N LEU A 23 12.812 -43.409 -10.097 1.00 21.05 N +ATOM 142 CA LEU A 23 12.541 -43.628 -8.680 1.00 21.62 C +ATOM 143 C LEU A 23 11.271 -42.910 -8.193 1.00 21.36 C +ATOM 144 O LEU A 23 10.470 -42.421 -8.992 1.00 18.41 O +ATOM 145 CB LEU A 23 13.758 -43.207 -7.821 1.00 23.15 C +ATOM 146 CG LEU A 23 14.539 -41.903 -8.077 1.00 27.51 C +ATOM 147 CD1 LEU A 23 13.584 -40.747 -7.901 1.00 35.59 C +ATOM 148 CD2 LEU A 23 15.749 -41.723 -7.120 1.00 24.86 C +ATOM 149 N TYR A 24 11.059 -42.944 -6.881 1.00 19.66 N +ATOM 150 CA TYR A 24 10.053 -42.139 -6.222 1.00 11.94 C +ATOM 151 C TYR A 24 10.743 -41.202 -5.271 1.00 12.46 C +ATOM 152 O TYR A 24 11.758 -41.550 -4.684 1.00 12.11 O +ATOM 153 CB TYR A 24 9.105 -43.013 -5.440 1.00 8.67 C +ATOM 154 CG TYR A 24 7.833 -43.272 -6.173 1.00 13.15 C +ATOM 155 CD1 TYR A 24 7.824 -44.054 -7.328 1.00 12.14 C +ATOM 156 CD2 TYR A 24 6.634 -42.705 -5.745 1.00 16.31 C +ATOM 157 CE1 TYR A 24 6.659 -44.262 -8.039 1.00 14.20 C +ATOM 158 CE2 TYR A 24 5.455 -42.899 -6.461 1.00 15.50 C +ATOM 159 CZ TYR A 24 5.481 -43.675 -7.608 1.00 16.96 C +ATOM 160 OH TYR A 24 4.339 -43.828 -8.353 1.00 21.52 O +ATOM 161 N VAL A 25 10.100 -40.076 -5.007 1.00 12.67 N +ATOM 162 CA VAL A 25 10.667 -39.003 -4.203 1.00 14.06 C +ATOM 163 C VAL A 25 9.494 -38.373 -3.409 1.00 15.53 C +ATOM 164 O VAL A 25 8.338 -38.545 -3.795 1.00 11.06 O +ATOM 165 CB VAL A 25 11.318 -37.926 -5.136 1.00 16.19 C +ATOM 166 CG1 VAL A 25 11.840 -36.788 -4.347 1.00 21.62 C +ATOM 167 CG2 VAL A 25 12.444 -38.515 -5.922 1.00 16.97 C +ATOM 168 N GLY A 26 9.800 -37.659 -2.316 1.00 11.81 N +ATOM 169 CA GLY A 26 8.794 -36.947 -1.548 1.00 14.13 C +ATOM 170 C GLY A 26 9.090 -36.916 -0.055 1.00 12.53 C +ATOM 171 O GLY A 26 10.047 -37.507 0.401 1.00 13.15 O +ATOM 172 N PHE A 27 8.255 -36.250 0.722 1.00 6.71 N +ATOM 173 CA PHE A 27 8.449 -36.150 2.157 1.00 6.44 C +ATOM 174 C PHE A 27 8.265 -37.513 2.867 1.00 13.51 C +ATOM 175 O PHE A 27 8.938 -37.810 3.855 1.00 11.16 O +ATOM 176 CB PHE A 27 7.466 -35.105 2.678 1.00 6.47 C +ATOM 177 CG PHE A 27 7.433 -34.976 4.155 1.00 9.33 C +ATOM 178 CD1 PHE A 27 6.661 -35.833 4.922 1.00 9.03 C +ATOM 179 CD2 PHE A 27 8.193 -34.013 4.788 1.00 11.46 C +ATOM 180 CE1 PHE A 27 6.652 -35.747 6.305 1.00 8.35 C +ATOM 181 CE2 PHE A 27 8.193 -33.913 6.166 1.00 8.19 C +ATOM 182 CZ PHE A 27 7.421 -34.789 6.929 1.00 10.12 C +ATOM 183 N ASP A 28 7.220 -38.241 2.470 1.00 14.07 N +ATOM 184 CA ASP A 28 6.920 -39.574 2.993 1.00 14.99 C +ATOM 185 C ASP A 28 8.018 -40.545 2.622 1.00 14.48 C +ATOM 186 O ASP A 28 8.456 -41.330 3.450 1.00 16.21 O +ATOM 187 CB ASP A 28 5.619 -40.098 2.402 1.00 13.40 C +ATOM 188 CG ASP A 28 4.416 -39.662 3.173 1.00 12.04 C +ATOM 189 OD1 ASP A 28 4.554 -39.091 4.260 1.00 12.89 O +ATOM 190 OD2 ASP A 28 3.309 -39.880 2.689 1.00 8.53 O +ATOM 191 N VAL A 29 8.486 -40.451 1.382 1.00 4.87 N +ATOM 192 CA VAL A 29 9.555 -41.299 0.886 1.00 11.18 C +ATOM 193 C VAL A 29 10.903 -41.070 1.570 1.00 11.07 C +ATOM 194 O VAL A 29 11.591 -42.030 1.891 1.00 17.10 O +ATOM 195 CB VAL A 29 9.694 -41.172 -0.632 1.00 9.96 C +ATOM 196 CG1 VAL A 29 10.821 -42.039 -1.122 1.00 14.26 C +ATOM 197 CG2 VAL A 29 8.416 -41.617 -1.303 1.00 8.50 C +ATOM 198 N ASP A 30 11.244 -39.824 1.881 1.00 15.02 N +ATOM 199 CA ASP A 30 12.423 -39.537 2.702 1.00 10.85 C +ATOM 200 C ASP A 30 12.219 -39.839 4.180 1.00 14.35 C +ATOM 201 O ASP A 30 13.172 -40.144 4.880 1.00 16.20 O +ATOM 202 CB ASP A 30 12.834 -38.080 2.571 1.00 14.69 C +ATOM 203 CG ASP A 30 13.384 -37.757 1.226 1.00 16.86 C +ATOM 204 OD1 ASP A 30 13.872 -38.658 0.537 1.00 19.60 O +ATOM 205 OD2 ASP A 30 13.371 -36.579 0.858 1.00 20.02 O +ATOM 206 N LEU A 31 10.996 -39.679 4.673 1.00 10.19 N +ATOM 207 CA LEU A 31 10.713 -39.909 6.075 1.00 9.62 C +ATOM 208 C LEU A 31 10.804 -41.366 6.448 1.00 7.52 C +ATOM 209 O LEU A 31 11.319 -41.694 7.497 1.00 14.41 O +ATOM 210 CB LEU A 31 9.331 -39.398 6.443 1.00 12.00 C +ATOM 211 CG LEU A 31 9.047 -39.590 7.930 1.00 12.23 C +ATOM 212 CD1 LEU A 31 9.826 -38.576 8.725 1.00 18.71 C +ATOM 213 CD2 LEU A 31 7.593 -39.413 8.203 1.00 15.30 C +ATOM 214 N TRP A 32 10.214 -42.233 5.646 1.00 6.24 N +ATOM 215 CA TRP A 32 10.280 -43.646 5.923 1.00 6.70 C +ATOM 216 C TRP A 32 11.717 -44.182 5.856 1.00 10.70 C +ATOM 217 O TRP A 32 12.102 -45.034 6.653 1.00 15.23 O +ATOM 218 CB TRP A 32 9.395 -44.418 4.950 1.00 8.19 C +ATOM 219 CG TRP A 32 9.486 -45.874 5.160 1.00 6.64 C +ATOM 220 CD1 TRP A 32 10.044 -46.779 4.313 1.00 9.05 C +ATOM 221 CD2 TRP A 32 9.212 -46.576 6.375 1.00 7.01 C +ATOM 222 NE1 TRP A 32 10.168 -47.998 4.931 1.00 7.95 N +ATOM 223 CE2 TRP A 32 9.663 -47.906 6.200 1.00 9.49 C +ATOM 224 CE3 TRP A 32 8.640 -46.210 7.607 1.00 11.61 C +ATOM 225 CZ2 TRP A 32 9.568 -48.874 7.210 1.00 8.00 C +ATOM 226 CZ3 TRP A 32 8.545 -47.174 8.618 1.00 6.35 C +ATOM 227 CH2 TRP A 32 9.011 -48.488 8.411 1.00 8.04 C +ATOM 228 N ALA A 33 12.477 -43.757 4.850 1.00 11.44 N +ATOM 229 CA ALA A 33 13.859 -44.187 4.685 1.00 5.51 C +ATOM 230 C ALA A 33 14.715 -43.851 5.908 1.00 9.64 C +ATOM 231 O ALA A 33 15.435 -44.704 6.412 1.00 17.62 O +ATOM 232 CB ALA A 33 14.452 -43.570 3.420 1.00 5.22 C +ATOM 233 N ALA A 34 14.544 -42.667 6.479 1.00 8.41 N +ATOM 234 CA ALA A 34 15.268 -42.336 7.699 1.00 3.74 C +ATOM 235 C ALA A 34 14.813 -43.200 8.873 1.00 6.20 C +ATOM 236 O ALA A 34 15.638 -43.582 9.678 1.00 11.56 O +ATOM 237 CB ALA A 34 15.124 -40.849 8.036 1.00 3.24 C +ATOM 238 N ILE A 35 13.516 -43.467 9.011 1.00 5.06 N +ATOM 239 CA ILE A 35 13.027 -44.332 10.092 1.00 9.26 C +ATOM 240 C ILE A 35 13.565 -45.766 9.923 1.00 9.02 C +ATOM 241 O ILE A 35 14.164 -46.333 10.835 1.00 7.19 O +ATOM 242 CB ILE A 35 11.473 -44.361 10.137 1.00 8.30 C +ATOM 243 CG1 ILE A 35 10.932 -43.059 10.734 1.00 3.06 C +ATOM 244 CG2 ILE A 35 10.990 -45.546 10.952 1.00 2.85 C +ATOM 245 CD1 ILE A 35 9.457 -42.988 10.771 1.00 5.23 C +ATOM 246 N ALA A 36 13.472 -46.273 8.694 1.00 13.14 N +ATOM 247 CA ALA A 36 13.959 -47.605 8.312 1.00 9.56 C +ATOM 248 C ALA A 36 15.427 -47.825 8.654 1.00 13.65 C +ATOM 249 O ALA A 36 15.782 -48.886 9.140 1.00 17.03 O +ATOM 250 CB ALA A 36 13.751 -47.820 6.837 1.00 2.31 C +ATOM 251 N LYS A 37 16.277 -46.830 8.406 1.00 11.38 N +ATOM 252 CA LYS A 37 17.694 -46.963 8.711 1.00 15.20 C +ATOM 253 C LYS A 37 17.985 -46.897 10.196 1.00 15.39 C +ATOM 254 O LYS A 37 18.796 -47.659 10.692 1.00 18.27 O +ATOM 255 CB LYS A 37 18.518 -45.927 7.931 1.00 16.94 C +ATOM 256 CG LYS A 37 19.216 -44.863 8.743 1.00 26.29 C +ATOM 257 CD LYS A 37 18.282 -43.680 8.985 1.00 34.15 C +ATOM 258 CE LYS A 37 18.869 -42.638 9.960 1.00 36.20 C +ATOM 259 NZ LYS A 37 17.829 -41.884 10.737 1.00 33.43 N +ATOM 260 N GLU A 38 17.225 -46.099 10.931 1.00 14.96 N +ATOM 261 CA GLU A 38 17.342 -46.081 12.386 1.00 13.14 C +ATOM 262 C GLU A 38 17.042 -47.451 12.943 1.00 13.98 C +ATOM 263 O GLU A 38 17.648 -47.871 13.913 1.00 16.64 O +ATOM 264 CB GLU A 38 16.366 -45.089 13.006 1.00 16.97 C +ATOM 265 CG GLU A 38 16.859 -43.664 13.076 1.00 21.94 C +ATOM 266 CD GLU A 38 18.220 -43.539 13.723 1.00 25.01 C +ATOM 267 OE1 GLU A 38 18.523 -44.305 14.643 1.00 24.13 O +ATOM 268 OE2 GLU A 38 19.016 -42.689 13.276 1.00 27.51 O +ATOM 269 N LEU A 39 16.096 -48.145 12.331 1.00 12.81 N +ATOM 270 CA LEU A 39 15.692 -49.459 12.808 1.00 13.11 C +ATOM 271 C LEU A 39 16.406 -50.631 12.156 1.00 16.36 C +ATOM 272 O LEU A 39 16.079 -51.777 12.440 1.00 15.39 O +ATOM 273 CB LEU A 39 14.201 -49.644 12.609 1.00 12.58 C +ATOM 274 CG LEU A 39 13.353 -48.567 13.254 1.00 17.59 C +ATOM 275 CD1 LEU A 39 11.906 -48.774 12.843 1.00 20.52 C +ATOM 276 CD2 LEU A 39 13.505 -48.621 14.745 1.00 13.59 C +ATOM 277 N LYS A 40 17.236 -50.345 11.158 1.00 16.29 N +ATOM 278 CA LYS A 40 17.895 -51.389 10.372 1.00 19.73 C +ATOM 279 C LYS A 40 16.928 -52.351 9.685 1.00 17.67 C +ATOM 280 O LYS A 40 17.147 -53.559 9.671 1.00 15.66 O +ATOM 281 CB LYS A 40 18.865 -52.179 11.247 1.00 23.42 C +ATOM 282 CG LYS A 40 20.221 -51.531 11.418 1.00 27.15 C +ATOM 283 CD LYS A 40 20.108 -50.256 12.217 1.00 35.38 C +ATOM 284 CE LYS A 40 20.931 -49.106 11.602 1.00 40.45 C +ATOM 285 NZ LYS A 40 21.097 -47.955 12.566 1.00 39.32 N +ATOM 286 N LEU A 41 15.940 -51.789 8.998 1.00 16.47 N +ATOM 287 CA LEU A 41 14.882 -52.544 8.347 1.00 14.70 C +ATOM 288 C LEU A 41 15.129 -52.593 6.850 1.00 19.46 C +ATOM 289 O LEU A 41 15.303 -51.547 6.213 1.00 17.64 O +ATOM 290 CB LEU A 41 13.531 -51.864 8.583 1.00 17.02 C +ATOM 291 CG LEU A 41 12.919 -51.847 9.989 1.00 19.87 C +ATOM 292 CD1 LEU A 41 11.599 -51.099 9.955 1.00 17.82 C +ATOM 293 CD2 LEU A 41 12.712 -53.275 10.495 1.00 21.76 C +ATOM 294 N ASP A 42 15.023 -53.790 6.279 1.00 15.18 N +ATOM 295 CA ASP A 42 14.999 -53.963 4.840 1.00 12.47 C +ATOM 296 C ASP A 42 13.536 -53.950 4.422 1.00 11.87 C +ATOM 297 O ASP A 42 12.678 -54.436 5.164 1.00 13.71 O +ATOM 298 CB ASP A 42 15.629 -55.306 4.463 1.00 22.49 C +ATOM 299 CG ASP A 42 17.132 -55.355 4.715 1.00 30.83 C +ATOM 300 OD1 ASP A 42 17.781 -54.304 4.967 1.00 32.55 O +ATOM 301 OD2 ASP A 42 17.693 -56.469 4.609 1.00 34.23 O +ATOM 302 N TYR A 43 13.245 -53.445 3.227 1.00 9.43 N +ATOM 303 CA TYR A 43 11.869 -53.251 2.795 1.00 7.95 C +ATOM 304 C TYR A 43 11.747 -53.034 1.289 1.00 8.00 C +ATOM 305 O TYR A 43 12.736 -53.077 0.573 1.00 10.05 O +ATOM 306 CB TYR A 43 11.215 -52.094 3.564 1.00 2.93 C +ATOM 307 CG TYR A 43 11.747 -50.720 3.251 1.00 5.35 C +ATOM 308 CD1 TYR A 43 12.848 -50.209 3.920 1.00 7.33 C +ATOM 309 CD2 TYR A 43 11.157 -49.935 2.270 1.00 7.31 C +ATOM 310 CE1 TYR A 43 13.359 -48.969 3.607 1.00 6.15 C +ATOM 311 CE2 TYR A 43 11.641 -48.677 1.963 1.00 10.32 C +ATOM 312 CZ TYR A 43 12.745 -48.204 2.630 1.00 11.92 C +ATOM 313 OH TYR A 43 13.223 -46.960 2.313 1.00 12.62 O +ATOM 314 N GLU A 44 10.511 -52.964 0.810 1.00 13.37 N +ATOM 315 CA GLU A 44 10.213 -52.792 -0.596 1.00 8.73 C +ATOM 316 C GLU A 44 9.054 -51.819 -0.792 1.00 15.21 C +ATOM 317 O GLU A 44 8.014 -51.964 -0.160 1.00 16.80 O +ATOM 318 CB GLU A 44 9.826 -54.120 -1.194 1.00 16.05 C +ATOM 319 CG GLU A 44 9.556 -53.991 -2.656 1.00 22.82 C +ATOM 320 CD GLU A 44 9.186 -55.283 -3.284 1.00 26.83 C +ATOM 321 OE1 GLU A 44 8.020 -55.716 -3.089 1.00 33.18 O +ATOM 322 OE2 GLU A 44 10.034 -55.814 -4.034 1.00 22.31 O +ATOM 323 N LEU A 45 9.190 -50.897 -1.740 1.00 19.27 N +ATOM 324 CA LEU A 45 8.170 -49.871 -1.983 1.00 17.24 C +ATOM 325 C LEU A 45 7.198 -50.333 -3.056 1.00 16.59 C +ATOM 326 O LEU A 45 7.603 -50.578 -4.179 1.00 18.04 O +ATOM 327 CB LEU A 45 8.836 -48.570 -2.462 1.00 19.96 C +ATOM 328 CG LEU A 45 8.714 -47.206 -1.769 1.00 19.65 C +ATOM 329 CD1 LEU A 45 8.607 -46.115 -2.837 1.00 15.36 C +ATOM 330 CD2 LEU A 45 7.526 -47.162 -0.859 1.00 16.36 C +ATOM 331 N LYS A 46 5.906 -50.263 -2.772 1.00 16.59 N +ATOM 332 CA LYS A 46 4.900 -50.729 -3.711 1.00 16.83 C +ATOM 333 C LYS A 46 3.817 -49.661 -3.915 1.00 16.26 C +ATOM 334 O LYS A 46 2.986 -49.438 -3.029 1.00 13.68 O +ATOM 335 CB LYS A 46 4.292 -52.047 -3.214 1.00 14.70 C +ATOM 336 CG LYS A 46 3.255 -52.637 -4.162 1.00 24.54 C +ATOM 337 CD LYS A 46 2.857 -54.100 -3.827 1.00 32.72 C +ATOM 338 CE LYS A 46 3.913 -55.140 -4.306 1.00 37.23 C +ATOM 339 NZ LYS A 46 5.351 -54.940 -3.813 1.00 34.10 N +ATOM 340 N PRO A 47 3.969 -48.834 -4.971 1.00 14.45 N +ATOM 341 CA PRO A 47 2.972 -47.862 -5.423 1.00 15.43 C +ATOM 342 C PRO A 47 1.674 -48.509 -5.889 1.00 15.82 C +ATOM 343 O PRO A 47 1.710 -49.513 -6.589 1.00 24.62 O +ATOM 344 CB PRO A 47 3.686 -47.142 -6.555 1.00 12.52 C +ATOM 345 CG PRO A 47 5.101 -47.244 -6.198 1.00 10.00 C +ATOM 346 CD PRO A 47 5.254 -48.619 -5.659 1.00 11.64 C +ATOM 347 N MET A 48 0.538 -47.890 -5.557 1.00 18.73 N +ATOM 348 CA MET A 48 -0.801 -48.436 -5.836 1.00 19.32 C +ATOM 349 C MET A 48 -1.875 -47.385 -5.470 1.00 24.17 C +ATOM 350 O MET A 48 -1.650 -46.584 -4.586 1.00 27.56 O +ATOM 351 CB MET A 48 -1.032 -49.687 -5.000 1.00 16.70 C +ATOM 352 CG MET A 48 -1.315 -49.386 -3.533 1.00 15.38 C +ATOM 353 SD MET A 48 -1.617 -50.883 -2.581 1.00 23.59 S +ATOM 354 CE MET A 48 -0.050 -51.362 -2.288 1.00 11.84 C +ATOM 355 N ASP A 49 -3.048 -47.431 -6.104 1.00 25.81 N +ATOM 356 CA ASP A 49 -4.102 -46.434 -5.909 1.00 17.08 C +ATOM 357 C ASP A 49 -4.462 -46.395 -4.448 1.00 11.57 C +ATOM 358 O ASP A 49 -4.795 -47.420 -3.887 1.00 17.58 O +ATOM 359 CB ASP A 49 -5.363 -46.839 -6.682 1.00 28.48 C +ATOM 360 CG ASP A 49 -5.442 -46.234 -8.086 1.00 37.51 C +ATOM 361 OD1 ASP A 49 -4.752 -46.755 -9.021 1.00 40.02 O +ATOM 362 OD2 ASP A 49 -6.327 -45.352 -8.289 1.00 40.62 O +ATOM 363 N PHE A 50 -4.575 -45.206 -3.879 1.00 12.54 N +ATOM 364 CA PHE A 50 -5.020 -45.047 -2.501 1.00 13.22 C +ATOM 365 C PHE A 50 -6.173 -45.993 -2.103 1.00 19.93 C +ATOM 366 O PHE A 50 -6.251 -46.489 -0.967 1.00 20.01 O +ATOM 367 CB PHE A 50 -5.449 -43.602 -2.291 1.00 12.62 C +ATOM 368 CG PHE A 50 -5.680 -43.238 -0.856 1.00 19.93 C +ATOM 369 CD1 PHE A 50 -4.612 -42.928 -0.027 1.00 20.25 C +ATOM 370 CD2 PHE A 50 -6.964 -43.234 -0.323 1.00 18.23 C +ATOM 371 CE1 PHE A 50 -4.816 -42.633 1.320 1.00 22.63 C +ATOM 372 CE2 PHE A 50 -7.177 -42.939 1.010 1.00 21.54 C +ATOM 373 CZ PHE A 50 -6.099 -42.642 1.840 1.00 22.52 C +ATOM 374 N SER A 51 -7.077 -46.231 -3.044 1.00 24.84 N +ATOM 375 CA SER A 51 -8.314 -46.961 -2.767 1.00 27.13 C +ATOM 376 C SER A 51 -8.031 -48.386 -2.324 1.00 25.74 C +ATOM 377 O SER A 51 -8.891 -49.037 -1.719 1.00 26.46 O +ATOM 378 CB SER A 51 -9.185 -47.005 -4.022 1.00 32.36 C +ATOM 379 OG SER A 51 -8.541 -47.757 -5.047 1.00 34.61 O +ATOM 380 N GLY A 52 -6.881 -48.900 -2.752 1.00 24.35 N +ATOM 381 CA GLY A 52 -6.501 -50.262 -2.443 1.00 22.61 C +ATOM 382 C GLY A 52 -5.697 -50.403 -1.175 1.00 20.56 C +ATOM 383 O GLY A 52 -5.360 -51.515 -0.786 1.00 16.85 O +ATOM 384 N ILE A 53 -5.463 -49.290 -0.492 1.00 18.97 N +ATOM 385 CA ILE A 53 -4.469 -49.240 0.563 1.00 16.04 C +ATOM 386 C ILE A 53 -4.989 -49.745 1.916 1.00 17.53 C +ATOM 387 O ILE A 53 -4.352 -50.602 2.514 1.00 20.85 O +ATOM 388 CB ILE A 53 -3.843 -47.808 0.668 1.00 17.98 C +ATOM 389 CG1 ILE A 53 -2.788 -47.616 -0.421 1.00 16.78 C +ATOM 390 CG2 ILE A 53 -3.183 -47.596 1.998 1.00 18.27 C +ATOM 391 CD1 ILE A 53 -1.919 -46.408 -0.219 1.00 11.47 C +ATOM 392 N ILE A 54 -6.173 -49.338 2.363 1.00 14.47 N +ATOM 393 CA ILE A 54 -6.665 -49.900 3.618 1.00 13.56 C +ATOM 394 C ILE A 54 -7.177 -51.337 3.472 1.00 18.60 C +ATOM 395 O ILE A 54 -6.760 -52.227 4.212 1.00 16.84 O +ATOM 396 CB ILE A 54 -7.734 -49.006 4.289 1.00 15.30 C +ATOM 397 CG1 ILE A 54 -7.071 -47.720 4.806 1.00 18.79 C +ATOM 398 CG2 ILE A 54 -8.384 -49.746 5.454 1.00 10.76 C +ATOM 399 CD1 ILE A 54 -7.909 -46.908 5.787 1.00 18.42 C +ATOM 400 N PRO A 55 -7.901 -51.628 2.386 1.00 23.40 N +ATOM 401 CA PRO A 55 -8.032 -53.017 1.924 1.00 24.06 C +ATOM 402 C PRO A 55 -6.801 -53.935 2.069 1.00 24.31 C +ATOM 403 O PRO A 55 -6.817 -54.857 2.882 1.00 30.99 O +ATOM 404 CB PRO A 55 -8.474 -52.847 0.470 1.00 22.62 C +ATOM 405 CG PRO A 55 -9.352 -51.636 0.524 1.00 24.76 C +ATOM 406 CD PRO A 55 -8.821 -50.737 1.650 1.00 22.70 C +ATOM 407 N ALA A 56 -5.746 -53.694 1.291 1.00 20.01 N +ATOM 408 CA ALA A 56 -4.561 -54.553 1.280 1.00 18.00 C +ATOM 409 C ALA A 56 -3.840 -54.628 2.618 1.00 18.31 C +ATOM 410 O ALA A 56 -3.097 -55.578 2.885 1.00 20.66 O +ATOM 411 CB ALA A 56 -3.604 -54.079 0.226 1.00 23.76 C +ATOM 412 N LEU A 57 -4.046 -53.614 3.443 1.00 13.57 N +ATOM 413 CA LEU A 57 -3.523 -53.583 4.795 1.00 14.33 C +ATOM 414 C LEU A 57 -4.283 -54.562 5.683 1.00 21.81 C +ATOM 415 O LEU A 57 -3.708 -55.187 6.567 1.00 21.50 O +ATOM 416 CB LEU A 57 -3.671 -52.169 5.361 1.00 15.65 C +ATOM 417 CG LEU A 57 -2.504 -51.200 5.250 1.00 10.41 C +ATOM 418 CD1 LEU A 57 -2.887 -49.858 5.833 1.00 8.89 C +ATOM 419 CD2 LEU A 57 -1.330 -51.793 5.970 1.00 9.11 C +ATOM 420 N GLN A 58 -5.604 -54.595 5.524 1.00 21.48 N +ATOM 421 CA GLN A 58 -6.475 -55.402 6.381 1.00 22.66 C +ATOM 422 C GLN A 58 -6.350 -56.912 6.090 1.00 20.58 C +ATOM 423 O GLN A 58 -6.476 -57.746 7.006 1.00 21.54 O +ATOM 424 CB GLN A 58 -7.930 -54.936 6.233 1.00 21.34 C +ATOM 425 CG GLN A 58 -8.323 -53.755 7.126 1.00 23.76 C +ATOM 426 CD GLN A 58 -9.749 -53.278 6.891 1.00 21.69 C +ATOM 427 OE1 GLN A 58 -10.073 -52.745 5.832 1.00 24.23 O +ATOM 428 NE2 GLN A 58 -10.600 -53.435 7.890 1.00 22.79 N +ATOM 429 N THR A 59 -5.949 -57.259 4.869 1.00 20.98 N +ATOM 430 CA THR A 59 -5.684 -58.654 4.565 1.00 19.81 C +ATOM 431 C THR A 59 -4.220 -59.001 4.753 1.00 22.27 C +ATOM 432 O THR A 59 -3.801 -60.100 4.396 1.00 30.56 O +ATOM 433 CB THR A 59 -6.087 -59.029 3.120 1.00 21.83 C +ATOM 434 OG1 THR A 59 -4.954 -58.922 2.266 1.00 22.03 O +ATOM 435 CG2 THR A 59 -7.178 -58.115 2.588 1.00 21.51 C +ATOM 436 N LYS A 60 -3.431 -58.027 5.199 1.00 24.29 N +ATOM 437 CA LYS A 60 -1.986 -58.169 5.358 1.00 23.02 C +ATOM 438 C LYS A 60 -1.222 -58.577 4.085 1.00 20.02 C +ATOM 439 O LYS A 60 -0.143 -59.157 4.164 1.00 20.90 O +ATOM 440 CB LYS A 60 -1.679 -59.124 6.515 1.00 26.68 C +ATOM 441 CG LYS A 60 -1.949 -58.510 7.895 1.00 33.04 C +ATOM 442 CD LYS A 60 -2.729 -59.428 8.861 1.00 36.76 C +ATOM 443 CE LYS A 60 -4.234 -59.008 9.009 1.00 36.43 C +ATOM 444 NZ LYS A 60 -4.560 -58.156 10.224 1.00 34.63 N +ATOM 445 N ASN A 61 -1.679 -58.085 2.933 1.00 23.19 N +ATOM 446 CA ASN A 61 -0.930 -58.203 1.674 1.00 25.33 C +ATOM 447 C ASN A 61 0.131 -57.101 1.534 1.00 27.87 C +ATOM 448 O ASN A 61 0.762 -56.932 0.471 1.00 25.08 O +ATOM 449 CB ASN A 61 -1.894 -58.129 0.486 1.00 29.33 C +ATOM 450 CG ASN A 61 -2.620 -59.460 0.232 1.00 35.79 C +ATOM 451 OD1 ASN A 61 -2.002 -60.540 0.281 1.00 34.65 O +ATOM 452 ND2 ASN A 61 -3.952 -59.398 0.069 1.00 31.55 N +ATOM 453 N VAL A 62 0.376 -56.413 2.645 1.00 24.71 N +ATOM 454 CA VAL A 62 1.175 -55.201 2.696 1.00 20.64 C +ATOM 455 C VAL A 62 1.323 -55.022 4.194 1.00 21.21 C +ATOM 456 O VAL A 62 0.366 -55.269 4.924 1.00 22.72 O +ATOM 457 CB VAL A 62 0.381 -54.005 2.075 1.00 22.89 C +ATOM 458 CG1 VAL A 62 0.618 -52.734 2.850 1.00 18.90 C +ATOM 459 CG2 VAL A 62 0.771 -53.804 0.601 1.00 19.84 C +ATOM 460 N ASP A 63 2.482 -54.550 4.647 1.00 17.92 N +ATOM 461 CA ASP A 63 2.790 -54.506 6.076 1.00 15.28 C +ATOM 462 C ASP A 63 2.565 -53.145 6.739 1.00 15.00 C +ATOM 463 O ASP A 63 2.466 -53.072 7.966 1.00 13.40 O +ATOM 464 CB ASP A 63 4.240 -54.920 6.309 1.00 18.11 C +ATOM 465 CG ASP A 63 4.517 -56.332 5.890 1.00 16.87 C +ATOM 466 OD1 ASP A 63 4.192 -57.259 6.655 1.00 26.77 O +ATOM 467 OD2 ASP A 63 5.141 -56.523 4.831 1.00 23.00 O +ATOM 468 N LEU A 64 2.785 -52.074 5.979 1.00 10.67 N +ATOM 469 CA LEU A 64 2.444 -50.723 6.400 1.00 7.14 C +ATOM 470 C LEU A 64 2.348 -49.788 5.202 1.00 8.33 C +ATOM 471 O LEU A 64 2.540 -50.222 4.070 1.00 7.27 O +ATOM 472 CB LEU A 64 3.430 -50.190 7.456 1.00 4.35 C +ATOM 473 CG LEU A 64 4.959 -50.041 7.438 1.00 12.36 C +ATOM 474 CD1 LEU A 64 5.626 -51.317 7.022 1.00 8.36 C +ATOM 475 CD2 LEU A 64 5.390 -48.897 6.556 1.00 10.81 C +ATOM 476 N ALA A 65 1.877 -48.565 5.444 1.00 6.03 N +ATOM 477 CA ALA A 65 1.647 -47.595 4.386 1.00 8.93 C +ATOM 478 C ALA A 65 1.810 -46.131 4.832 1.00 10.47 C +ATOM 479 O ALA A 65 1.488 -45.774 5.961 1.00 11.85 O +ATOM 480 CB ALA A 65 0.282 -47.807 3.792 1.00 7.37 C +ATOM 481 N LEU A 66 2.484 -45.399 4.030 1.00 12.28 N +ATOM 482 CA LEU A 66 2.530 -43.939 4.189 1.00 9.29 C +ATOM 483 C LEU A 66 2.077 -43.253 2.897 1.00 7.71 C +ATOM 484 O LEU A 66 2.869 -42.986 2.004 1.00 8.98 O +ATOM 485 CB LEU A 66 3.990 -43.453 4.200 1.00 7.69 C +ATOM 486 CG LEU A 66 4.675 -43.601 5.564 1.00 11.85 C +ATOM 487 CD1 LEU A 66 5.433 -44.925 5.712 1.00 9.29 C +ATOM 488 CD2 LEU A 66 5.727 -42.516 5.826 1.00 2.31 C +ATOM 489 N ALA A 67 0.805 -42.923 2.835 1.00 9.30 N +ATOM 490 CA ALA A 67 0.258 -42.166 1.695 1.00 13.39 C +ATOM 491 C ALA A 67 -0.451 -40.905 2.185 1.00 13.59 C +ATOM 492 O ALA A 67 -1.563 -40.588 1.737 1.00 13.36 O +ATOM 493 CB ALA A 67 -0.710 -43.037 0.903 1.00 9.83 C +ATOM 494 N GLY A 68 0.184 -39.883 2.881 1.00 15.76 N +ATOM 495 CA GLY A 68 -0.519 -38.734 3.424 1.00 11.33 C +ATOM 496 C GLY A 68 -1.896 -39.096 3.940 1.00 19.35 C +ATOM 497 O GLY A 68 -2.889 -38.597 3.430 1.00 23.24 O +ATOM 498 N ILE A 69 -1.946 -40.063 4.858 1.00 20.53 N +ATOM 499 CA ILE A 69 -3.187 -40.590 5.432 1.00 15.20 C +ATOM 500 C ILE A 69 -3.553 -39.876 6.727 1.00 13.67 C +ATOM 501 O ILE A 69 -2.826 -39.943 7.703 1.00 16.56 O +ATOM 502 CB ILE A 69 -3.046 -42.088 5.766 1.00 10.63 C +ATOM 503 CG1 ILE A 69 -2.729 -42.889 4.503 1.00 9.80 C +ATOM 504 CG2 ILE A 69 -4.310 -42.602 6.399 1.00 9.11 C +ATOM 505 CD1 ILE A 69 -2.203 -44.273 4.778 1.00 12.17 C +ATOM 506 N THR A 70 -4.768 -39.359 6.789 1.00 12.92 N +ATOM 507 CA THR A 70 -5.227 -38.639 7.972 1.00 18.65 C +ATOM 508 C THR A 70 -5.772 -39.568 9.036 1.00 16.43 C +ATOM 509 O THR A 70 -6.627 -40.387 8.747 1.00 10.25 O +ATOM 510 CB THR A 70 -6.321 -37.633 7.591 1.00 21.02 C +ATOM 511 OG1 THR A 70 -5.831 -36.785 6.539 1.00 19.88 O +ATOM 512 CG2 THR A 70 -6.719 -36.775 8.793 1.00 21.04 C +ATOM 513 N ILE A 71 -5.346 -39.366 10.277 1.00 16.01 N +ATOM 514 CA ILE A 71 -5.855 -40.162 11.386 1.00 17.64 C +ATOM 515 C ILE A 71 -7.243 -39.665 11.695 1.00 19.92 C +ATOM 516 O ILE A 71 -7.395 -38.571 12.242 1.00 21.36 O +ATOM 517 CB ILE A 71 -5.024 -39.994 12.680 1.00 17.35 C +ATOM 518 CG1 ILE A 71 -3.565 -40.343 12.455 1.00 10.92 C +ATOM 519 CG2 ILE A 71 -5.578 -40.887 13.775 1.00 15.36 C +ATOM 520 CD1 ILE A 71 -2.728 -39.966 13.603 1.00 17.55 C +ATOM 521 N THR A 72 -8.255 -40.406 11.262 1.00 21.13 N +ATOM 522 CA THR A 72 -9.616 -40.146 11.701 1.00 19.68 C +ATOM 523 C THR A 72 -10.120 -41.363 12.463 1.00 20.56 C +ATOM 524 O THR A 72 -9.549 -42.463 12.349 1.00 16.05 O +ATOM 525 CB THR A 72 -10.548 -39.867 10.516 1.00 18.33 C +ATOM 526 OG1 THR A 72 -10.744 -41.073 9.776 1.00 25.44 O +ATOM 527 CG2 THR A 72 -9.943 -38.863 9.588 1.00 16.89 C +ATOM 528 N ASP A 73 -11.305 -41.175 13.061 1.00 21.05 N +ATOM 529 CA ASP A 73 -11.775 -42.149 14.055 1.00 22.41 C +ATOM 530 C ASP A 73 -12.443 -43.324 13.363 1.00 21.97 C +ATOM 531 O ASP A 73 -12.438 -44.452 13.861 1.00 32.11 O +ATOM 532 CB ASP A 73 -12.811 -41.510 14.966 1.00 26.09 C +ATOM 533 CG ASP A 73 -12.179 -40.597 16.002 1.00 30.96 C +ATOM 534 OD1 ASP A 73 -11.099 -40.964 16.602 1.00 34.42 O +ATOM 535 OD2 ASP A 73 -12.688 -39.438 16.229 1.00 31.85 O +ATOM 536 N GLU A 74 -13.058 -43.035 12.252 1.00 25.47 N +ATOM 537 CA GLU A 74 -13.719 -44.067 11.472 1.00 24.52 C +ATOM 538 C GLU A 74 -12.673 -44.983 10.845 1.00 25.24 C +ATOM 539 O GLU A 74 -12.935 -46.161 10.585 1.00 25.27 O +ATOM 540 CB GLU A 74 -14.781 -43.447 10.596 1.00 31.05 C +ATOM 541 CG GLU A 74 -14.629 -41.936 10.482 1.00 43.73 C +ATOM 542 CD GLU A 74 -15.272 -41.174 11.641 1.00 48.30 C +ATOM 543 OE1 GLU A 74 -16.023 -41.794 12.487 1.00 44.61 O +ATOM 544 OE2 GLU A 74 -15.082 -39.904 11.757 1.00 46.62 O +ATOM 545 N ARG A 75 -11.472 -44.439 10.697 1.00 24.75 N +ATOM 546 CA ARG A 75 -10.344 -45.181 10.097 1.00 13.77 C +ATOM 547 C ARG A 75 -9.703 -46.114 11.129 1.00 15.36 C +ATOM 548 O ARG A 75 -9.233 -47.209 10.796 1.00 15.55 O +ATOM 549 CB ARG A 75 -9.463 -44.251 9.252 1.00 15.62 C +ATOM 550 CG ARG A 75 -9.595 -44.540 7.751 1.00 11.19 C +ATOM 551 CD ARG A 75 -8.580 -43.806 6.866 1.00 15.86 C +ATOM 552 NE ARG A 75 -8.863 -42.382 6.746 1.00 16.37 N +ATOM 553 CZ ARG A 75 -8.609 -41.613 5.674 1.00 20.16 C +ATOM 554 NH1 ARG A 75 -8.604 -42.094 4.428 1.00 18.62 N +ATOM 555 NH2 ARG A 75 -8.137 -40.367 5.776 1.00 21.36 N +ATOM 556 N LYS A 76 -9.696 -45.658 12.364 1.00 14.53 N +ATOM 557 CA LYS A 76 -9.119 -46.426 13.479 1.00 14.86 C +ATOM 558 C LYS A 76 -9.955 -47.680 13.740 1.00 18.36 C +ATOM 559 O LYS A 76 -9.500 -48.624 14.405 1.00 17.64 O +ATOM 560 CB LYS A 76 -9.069 -45.569 14.736 1.00 12.10 C +ATOM 561 CG LYS A 76 -8.070 -44.420 14.630 1.00 20.70 C +ATOM 562 CD LYS A 76 -7.415 -44.077 15.965 1.00 25.11 C +ATOM 563 CE LYS A 76 -8.328 -43.265 16.883 1.00 30.61 C +ATOM 564 NZ LYS A 76 -8.742 -41.984 16.293 1.00 34.89 N +ATOM 565 N LYS A 77 -11.185 -47.717 13.277 1.00 20.35 N +ATOM 566 CA LYS A 77 -11.969 -48.930 13.320 1.00 23.48 C +ATOM 567 C LYS A 77 -11.292 -49.996 12.447 1.00 24.60 C +ATOM 568 O LYS A 77 -11.229 -51.181 12.809 1.00 25.38 O +ATOM 569 CB LYS A 77 -13.387 -48.642 12.809 1.00 24.56 C +ATOM 570 CG LYS A 77 -14.222 -47.665 13.680 1.00 28.51 C +ATOM 571 CD LYS A 77 -15.687 -47.531 13.149 1.00 32.42 C +ATOM 572 CE LYS A 77 -16.316 -46.113 13.314 1.00 32.89 C +ATOM 573 NZ LYS A 77 -16.887 -45.526 12.034 1.00 28.82 N +ATOM 574 N ALA A 78 -10.693 -49.558 11.343 1.00 22.36 N +ATOM 575 CA ALA A 78 -10.161 -50.478 10.348 1.00 15.01 C +ATOM 576 C ALA A 78 -8.685 -50.814 10.486 1.00 17.74 C +ATOM 577 O ALA A 78 -8.250 -51.867 10.001 1.00 20.72 O +ATOM 578 CB ALA A 78 -10.433 -49.940 8.974 1.00 17.70 C +ATOM 579 N ILE A 79 -7.898 -49.926 11.089 1.00 17.96 N +ATOM 580 CA ILE A 79 -6.434 -50.094 11.122 1.00 14.35 C +ATOM 581 C ILE A 79 -5.858 -49.506 12.403 1.00 12.20 C +ATOM 582 O ILE A 79 -6.609 -49.134 13.292 1.00 18.14 O +ATOM 583 CB ILE A 79 -5.734 -49.401 9.901 1.00 14.24 C +ATOM 584 CG1 ILE A 79 -6.338 -48.026 9.656 1.00 11.78 C +ATOM 585 CG2 ILE A 79 -5.845 -50.263 8.641 1.00 13.28 C +ATOM 586 CD1 ILE A 79 -5.655 -47.267 8.562 1.00 15.10 C +ATOM 587 N ASP A 80 -4.538 -49.467 12.520 1.00 11.03 N +ATOM 588 CA ASP A 80 -3.863 -48.733 13.593 1.00 11.30 C +ATOM 589 C ASP A 80 -2.886 -47.712 13.024 1.00 16.93 C +ATOM 590 O ASP A 80 -2.346 -47.918 11.943 1.00 19.00 O +ATOM 591 CB ASP A 80 -3.098 -49.704 14.466 1.00 16.25 C +ATOM 592 CG ASP A 80 -3.997 -50.466 15.385 1.00 22.05 C +ATOM 593 OD1 ASP A 80 -5.111 -49.949 15.668 1.00 24.77 O +ATOM 594 OD2 ASP A 80 -3.571 -51.541 15.879 1.00 21.53 O +ATOM 595 N PHE A 81 -2.647 -46.619 13.738 1.00 16.77 N +ATOM 596 CA PHE A 81 -1.692 -45.610 13.275 1.00 15.62 C +ATOM 597 C PHE A 81 -0.500 -45.467 14.231 1.00 18.07 C +ATOM 598 O PHE A 81 -0.589 -45.804 15.417 1.00 17.92 O +ATOM 599 CB PHE A 81 -2.374 -44.242 13.144 1.00 18.96 C +ATOM 600 CG PHE A 81 -3.457 -44.189 12.114 1.00 8.78 C +ATOM 601 CD1 PHE A 81 -4.743 -44.524 12.438 1.00 11.27 C +ATOM 602 CD2 PHE A 81 -3.202 -43.691 10.852 1.00 14.24 C +ATOM 603 CE1 PHE A 81 -5.768 -44.358 11.522 1.00 12.62 C +ATOM 604 CE2 PHE A 81 -4.210 -43.523 9.935 1.00 13.71 C +ATOM 605 CZ PHE A 81 -5.497 -43.854 10.269 1.00 11.80 C +ATOM 606 N SER A 82 0.621 -44.993 13.714 1.00 7.60 N +ATOM 607 CA SER A 82 1.721 -44.561 14.558 1.00 12.56 C +ATOM 608 C SER A 82 1.311 -43.222 15.159 1.00 15.72 C +ATOM 609 O SER A 82 0.245 -42.714 14.840 1.00 20.72 O +ATOM 610 CB SER A 82 2.943 -44.342 13.696 1.00 14.75 C +ATOM 611 OG SER A 82 2.667 -43.326 12.744 1.00 18.10 O +ATOM 612 N ASP A 83 2.203 -42.589 15.917 1.00 13.33 N +ATOM 613 CA ASP A 83 2.014 -41.186 16.298 1.00 11.97 C +ATOM 614 C ASP A 83 1.950 -40.312 15.063 1.00 10.54 C +ATOM 615 O ASP A 83 2.373 -40.715 13.985 1.00 6.74 O +ATOM 616 CB ASP A 83 3.153 -40.712 17.217 1.00 13.43 C +ATOM 617 CG ASP A 83 3.132 -41.412 18.565 1.00 18.19 C +ATOM 618 OD1 ASP A 83 2.020 -41.811 18.957 1.00 24.39 O +ATOM 619 OD2 ASP A 83 4.195 -41.650 19.191 1.00 13.58 O +ATOM 620 N GLY A 84 1.308 -39.168 15.193 1.00 10.26 N +ATOM 621 CA GLY A 84 1.244 -38.256 14.072 1.00 8.95 C +ATOM 622 C GLY A 84 2.634 -37.787 13.685 1.00 13.32 C +ATOM 623 O GLY A 84 3.480 -37.529 14.542 1.00 7.24 O +ATOM 624 N TYR A 85 2.884 -37.706 12.391 1.00 10.50 N +ATOM 625 CA TYR A 85 4.148 -37.203 11.918 1.00 10.69 C +ATOM 626 C TYR A 85 4.024 -35.964 11.042 1.00 10.55 C +ATOM 627 O TYR A 85 5.013 -35.526 10.474 1.00 12.90 O +ATOM 628 CB TYR A 85 4.896 -38.299 11.157 1.00 11.90 C +ATOM 629 CG TYR A 85 4.264 -38.660 9.832 1.00 10.45 C +ATOM 630 CD1 TYR A 85 3.301 -39.652 9.752 1.00 2.65 C +ATOM 631 CD2 TYR A 85 4.656 -38.025 8.658 1.00 13.41 C +ATOM 632 CE1 TYR A 85 2.745 -40.009 8.541 1.00 7.84 C +ATOM 633 CE2 TYR A 85 4.098 -38.369 7.435 1.00 14.58 C +ATOM 634 CZ TYR A 85 3.139 -39.364 7.382 1.00 9.89 C +ATOM 635 OH TYR A 85 2.537 -39.700 6.186 1.00 9.09 O +ATOM 636 N TYR A 86 2.820 -35.436 10.870 1.00 11.18 N +ATOM 637 CA TYR A 86 2.628 -34.225 10.064 1.00 14.15 C +ATOM 638 C TYR A 86 1.334 -33.498 10.408 1.00 14.33 C +ATOM 639 O TYR A 86 0.279 -34.112 10.461 1.00 16.33 O +ATOM 640 CB TYR A 86 2.649 -34.555 8.573 1.00 11.10 C +ATOM 641 CG TYR A 86 2.683 -33.351 7.670 1.00 10.38 C +ATOM 642 CD1 TYR A 86 3.873 -32.699 7.381 1.00 12.17 C +ATOM 643 CD2 TYR A 86 1.531 -32.895 7.073 1.00 10.19 C +ATOM 644 CE1 TYR A 86 3.904 -31.629 6.531 1.00 11.25 C +ATOM 645 CE2 TYR A 86 1.548 -31.826 6.218 1.00 13.58 C +ATOM 646 CZ TYR A 86 2.729 -31.187 5.962 1.00 16.09 C +ATOM 647 OH TYR A 86 2.686 -30.010 5.258 1.00 19.12 O +ATOM 648 N LYS A 87 1.440 -32.193 10.650 1.00 12.36 N +ATOM 649 CA LYS A 87 0.308 -31.358 11.033 1.00 14.91 C +ATOM 650 C LYS A 87 -0.243 -30.731 9.773 1.00 18.18 C +ATOM 651 O LYS A 87 0.441 -29.924 9.137 1.00 20.09 O +ATOM 652 CB LYS A 87 0.750 -30.238 12.015 1.00 26.84 C +ATOM 653 CG LYS A 87 2.068 -29.463 11.607 1.00 38.15 C +ATOM 654 CD LYS A 87 2.050 -27.924 11.912 1.00 42.20 C +ATOM 655 CE LYS A 87 3.279 -27.211 11.275 1.00 41.79 C +ATOM 656 NZ LYS A 87 3.061 -25.767 10.912 1.00 35.41 N +ATOM 657 N SER A 88 -1.417 -31.190 9.352 1.00 17.16 N +ATOM 658 CA SER A 88 -2.136 -30.608 8.222 1.00 19.40 C +ATOM 659 C SER A 88 -3.302 -29.752 8.750 1.00 22.22 C +ATOM 660 O SER A 88 -3.505 -29.645 9.957 1.00 30.42 O +ATOM 661 CB SER A 88 -2.657 -31.728 7.325 1.00 13.87 C +ATOM 662 OG SER A 88 -2.811 -31.299 5.985 1.00 18.93 O +ATOM 663 N GLY A 89 -4.076 -29.146 7.861 1.00 22.98 N +ATOM 664 CA GLY A 89 -5.094 -28.200 8.288 1.00 23.44 C +ATOM 665 C GLY A 89 -5.189 -27.155 7.214 1.00 20.77 C +ATOM 666 O GLY A 89 -4.589 -27.349 6.165 1.00 27.59 O +ATOM 667 N LEU A 90 -5.814 -26.014 7.495 1.00 24.29 N +ATOM 668 CA LEU A 90 -6.028 -24.955 6.498 1.00 21.47 C +ATOM 669 C LEU A 90 -5.075 -23.812 6.757 1.00 20.94 C +ATOM 670 O LEU A 90 -4.842 -23.470 7.905 1.00 22.30 O +ATOM 671 CB LEU A 90 -7.451 -24.414 6.604 1.00 23.30 C +ATOM 672 CG LEU A 90 -8.624 -25.034 5.843 1.00 24.75 C +ATOM 673 CD1 LEU A 90 -8.376 -26.464 5.454 1.00 25.12 C +ATOM 674 CD2 LEU A 90 -9.854 -24.922 6.714 1.00 24.85 C +ATOM 675 N LEU A 91 -4.655 -23.115 5.709 1.00 22.65 N +ATOM 676 CA LEU A 91 -3.680 -22.045 5.862 1.00 21.44 C +ATOM 677 C LEU A 91 -4.090 -20.869 4.988 1.00 25.27 C +ATOM 678 O LEU A 91 -4.708 -21.058 3.926 1.00 17.24 O +ATOM 679 CB LEU A 91 -2.292 -22.521 5.449 1.00 20.19 C +ATOM 680 CG LEU A 91 -1.126 -22.371 6.433 1.00 19.82 C +ATOM 681 CD1 LEU A 91 0.125 -22.908 5.802 1.00 19.02 C +ATOM 682 CD2 LEU A 91 -0.928 -20.919 6.805 1.00 22.10 C +ATOM 683 N VAL A 92 -3.729 -19.665 5.446 1.00 25.82 N +ATOM 684 CA VAL A 92 -4.059 -18.392 4.792 1.00 22.49 C +ATOM 685 C VAL A 92 -2.907 -18.032 3.864 1.00 14.93 C +ATOM 686 O VAL A 92 -1.750 -18.138 4.255 1.00 20.69 O +ATOM 687 CB VAL A 92 -4.225 -17.241 5.847 1.00 20.87 C +ATOM 688 CG1 VAL A 92 -4.604 -15.940 5.172 1.00 21.50 C +ATOM 689 CG2 VAL A 92 -5.281 -17.604 6.880 1.00 21.38 C +ATOM 690 N MET A 93 -3.212 -17.568 2.661 1.00 18.96 N +ATOM 691 CA MET A 93 -2.187 -17.080 1.737 1.00 19.95 C +ATOM 692 C MET A 93 -2.609 -15.720 1.217 1.00 23.52 C +ATOM 693 O MET A 93 -3.767 -15.540 0.827 1.00 27.93 O +ATOM 694 CB MET A 93 -2.056 -18.031 0.557 1.00 20.28 C +ATOM 695 CG MET A 93 -1.064 -17.587 -0.507 1.00 22.18 C +ATOM 696 SD MET A 93 -1.185 -18.648 -1.970 1.00 29.27 S +ATOM 697 CE MET A 93 0.451 -19.041 -2.196 1.00 24.16 C +ATOM 698 N VAL A 94 -1.711 -14.743 1.272 1.00 17.78 N +ATOM 699 CA VAL A 94 -1.986 -13.433 0.696 1.00 16.71 C +ATOM 700 C VAL A 94 -0.780 -12.998 -0.110 1.00 20.04 C +ATOM 701 O VAL A 94 0.187 -13.752 -0.261 1.00 15.50 O +ATOM 702 CB VAL A 94 -2.292 -12.382 1.770 1.00 10.40 C +ATOM 703 CG1 VAL A 94 -3.379 -12.869 2.668 1.00 13.62 C +ATOM 704 CG2 VAL A 94 -1.070 -12.098 2.592 1.00 17.73 C +ATOM 705 N LYS A 95 -0.915 -11.857 -0.768 1.00 22.24 N +ATOM 706 CA LYS A 95 0.164 -11.327 -1.581 1.00 27.26 C +ATOM 707 C LYS A 95 1.342 -11.108 -0.678 1.00 25.99 C +ATOM 708 O LYS A 95 1.199 -10.505 0.381 1.00 23.25 O +ATOM 709 CB LYS A 95 -0.233 -9.983 -2.171 1.00 31.97 C +ATOM 710 CG LYS A 95 0.455 -9.661 -3.470 1.00 33.99 C +ATOM 711 CD LYS A 95 -0.575 -9.127 -4.438 1.00 32.73 C +ATOM 712 CE LYS A 95 -0.458 -9.833 -5.772 1.00 35.18 C +ATOM 713 NZ LYS A 95 -1.815 -9.857 -6.392 1.00 44.42 N +ATOM 714 N ALA A 96 2.521 -11.500 -1.130 1.00 27.82 N +ATOM 715 CA ALA A 96 3.692 -11.398 -0.283 1.00 32.55 C +ATOM 716 C ALA A 96 3.856 -9.938 0.061 1.00 35.14 C +ATOM 717 O ALA A 96 3.831 -9.569 1.241 1.00 35.88 O +ATOM 718 CB ALA A 96 4.948 -11.941 -1.008 1.00 34.65 C +ATOM 719 N ASN A 97 3.740 -9.090 -0.955 1.00 39.75 N +ATOM 720 CA ASN A 97 3.983 -7.667 -0.762 1.00 44.20 C +ATOM 721 C ASN A 97 2.777 -6.980 -0.165 1.00 42.36 C +ATOM 722 O ASN A 97 2.517 -5.823 -0.492 1.00 45.14 O +ATOM 723 CB ASN A 97 4.362 -6.995 -2.084 1.00 46.21 C +ATOM 724 CG ASN A 97 3.331 -7.227 -3.168 1.00 50.76 C +ATOM 725 OD1 ASN A 97 3.262 -8.324 -3.776 1.00 51.70 O +ATOM 726 ND2 ASN A 97 2.491 -6.217 -3.401 1.00 49.26 N +ATOM 727 N ASN A 98 2.039 -7.697 0.691 1.00 42.42 N +ATOM 728 CA ASN A 98 0.891 -7.149 1.439 1.00 42.42 C +ATOM 729 C ASN A 98 1.070 -7.335 2.948 1.00 42.80 C +ATOM 730 O ASN A 98 1.173 -8.465 3.442 1.00 43.57 O +ATOM 731 CB ASN A 98 -0.405 -7.848 1.038 1.00 43.46 C +ATOM 732 CG ASN A 98 -1.562 -7.484 1.954 1.00 44.07 C +ATOM 733 OD1 ASN A 98 -1.635 -7.954 3.103 1.00 40.55 O +ATOM 734 ND2 ASN A 98 -2.400 -6.539 1.503 1.00 47.95 N +ATOM 735 N ASN A 99 1.018 -6.247 3.695 1.00 41.52 N +ATOM 736 CA ASN A 99 1.459 -6.288 5.080 1.00 45.30 C +ATOM 737 C ASN A 99 0.293 -5.999 6.021 1.00 45.63 C +ATOM 738 O ASN A 99 0.500 -5.721 7.214 1.00 49.09 O +ATOM 739 CB ASN A 99 2.580 -5.268 5.312 1.00 48.35 C +ATOM 740 CG ASN A 99 3.149 -4.703 3.999 1.00 52.50 C +ATOM 741 OD1 ASN A 99 4.254 -5.082 3.573 1.00 50.13 O +ATOM 742 ND2 ASN A 99 2.360 -3.845 3.320 1.00 54.16 N +ATOM 743 N ASP A 100 -0.912 -6.305 5.551 1.00 43.30 N +ATOM 744 CA ASP A 100 -2.113 -5.840 6.198 1.00 40.47 C +ATOM 745 C ASP A 100 -2.994 -7.037 6.657 1.00 42.56 C +ATOM 746 O ASP A 100 -4.159 -6.865 7.031 1.00 46.55 O +ATOM 747 CB ASP A 100 -2.870 -4.904 5.218 1.00 44.24 C +ATOM 748 CG ASP A 100 -1.929 -3.833 4.520 1.00 46.02 C +ATOM 749 OD1 ASP A 100 -0.997 -4.219 3.751 1.00 41.02 O +ATOM 750 OD2 ASP A 100 -2.184 -2.598 4.660 1.00 43.05 O +ATOM 751 N VAL A 101 -2.448 -8.253 6.679 1.00 39.72 N +ATOM 752 CA VAL A 101 -3.279 -9.413 7.012 1.00 36.06 C +ATOM 753 C VAL A 101 -2.613 -10.428 7.937 1.00 34.93 C +ATOM 754 O VAL A 101 -1.393 -10.384 8.097 1.00 28.41 O +ATOM 755 CB VAL A 101 -3.723 -10.167 5.742 1.00 35.58 C +ATOM 756 CG1 VAL A 101 -4.793 -11.204 6.098 1.00 32.18 C +ATOM 757 CG2 VAL A 101 -4.244 -9.165 4.675 1.00 31.94 C +ATOM 758 N LYS A 102 -3.450 -11.149 8.711 1.00 37.55 N +ATOM 759 CA LYS A 102 -3.099 -12.431 9.377 1.00 39.08 C +ATOM 760 C LYS A 102 -4.296 -13.153 10.071 1.00 39.67 C +ATOM 761 O LYS A 102 -4.294 -13.352 11.289 1.00 38.95 O +ATOM 762 CB LYS A 102 -1.976 -12.211 10.381 1.00 37.26 C +ATOM 763 CG LYS A 102 -1.921 -10.786 10.940 1.00 42.52 C +ATOM 764 CD LYS A 102 -0.559 -10.164 10.681 1.00 44.39 C +ATOM 765 CE LYS A 102 -0.575 -8.658 10.864 1.00 46.85 C +ATOM 766 NZ LYS A 102 0.668 -8.029 10.297 1.00 49.01 N +ATOM 767 N SER A 103 -5.189 -13.736 9.264 1.00 39.47 N +ATOM 768 CA SER A 103 -6.557 -14.119 9.668 1.00 38.16 C +ATOM 769 C SER A 103 -7.360 -13.013 10.380 1.00 38.91 C +ATOM 770 O SER A 103 -8.429 -13.281 10.968 1.00 42.23 O +ATOM 771 CB SER A 103 -6.586 -15.419 10.492 1.00 35.93 C +ATOM 772 OG SER A 103 -7.812 -16.153 10.267 1.00 31.28 O +ATOM 773 N VAL A 104 -6.937 -11.765 10.144 1.00 40.23 N +ATOM 774 CA VAL A 104 -7.756 -10.567 10.327 1.00 30.70 C +ATOM 775 C VAL A 104 -8.239 -10.135 8.935 1.00 30.26 C +ATOM 776 O VAL A 104 -7.512 -9.471 8.195 1.00 26.86 O +ATOM 777 CB VAL A 104 -6.925 -9.416 10.957 1.00 30.59 C +ATOM 778 CG1 VAL A 104 -6.742 -9.673 12.440 1.00 32.99 C +ATOM 779 CG2 VAL A 104 -5.550 -9.311 10.309 1.00 26.42 C +ATOM 780 N LYS A 105 -9.372 -10.684 8.500 1.00 31.26 N +ATOM 781 CA LYS A 105 -9.932 -10.295 7.207 1.00 35.78 C +ATOM 782 C LYS A 105 -11.448 -10.451 7.068 1.00 38.42 C +ATOM 783 O LYS A 105 -11.924 -11.182 6.194 1.00 39.18 O +ATOM 784 CB LYS A 105 -9.240 -11.060 6.080 1.00 33.34 C +ATOM 785 CG LYS A 105 -9.513 -12.555 6.056 1.00 28.94 C +ATOM 786 CD LYS A 105 -8.541 -13.198 5.108 1.00 28.88 C +ATOM 787 CE LYS A 105 -7.894 -14.374 5.761 1.00 28.95 C +ATOM 788 NZ LYS A 105 -8.857 -15.496 5.774 1.00 30.60 N +ATOM 789 N ASP A 106 -12.195 -9.572 7.712 1.00 39.39 N +ATOM 790 CA ASP A 106 -13.633 -9.573 7.492 1.00 41.89 C +ATOM 791 C ASP A 106 -14.121 -8.186 7.120 1.00 41.98 C +ATOM 792 O ASP A 106 -13.792 -7.687 6.035 1.00 37.94 O +ATOM 793 CB ASP A 106 -14.369 -10.113 8.726 1.00 43.71 C +ATOM 794 CG ASP A 106 -13.538 -10.022 9.978 1.00 45.21 C +ATOM 795 OD1 ASP A 106 -12.820 -8.995 10.136 1.00 46.63 O +ATOM 796 OD2 ASP A 106 -13.540 -11.007 10.753 1.00 43.88 O +ATOM 797 N LEU A 107 -14.852 -7.535 8.032 1.00 49.89 N +ATOM 798 CA LEU A 107 -15.515 -6.242 7.735 1.00 52.83 C +ATOM 799 C LEU A 107 -14.565 -5.055 7.754 1.00 54.12 C +ATOM 800 O LEU A 107 -14.802 -4.070 8.477 1.00 55.67 O +ATOM 801 CB LEU A 107 -16.704 -5.931 8.683 1.00 46.74 C +ATOM 802 CG LEU A 107 -17.204 -6.852 9.793 1.00 42.38 C +ATOM 803 CD1 LEU A 107 -16.095 -7.114 10.817 1.00 45.59 C +ATOM 804 CD2 LEU A 107 -18.402 -6.186 10.468 1.00 40.89 C +ATOM 805 N ASP A 108 -13.467 -5.182 7.012 1.00 57.51 N +ATOM 806 CA ASP A 108 -12.685 -4.029 6.547 1.00 60.36 C +ATOM 807 C ASP A 108 -12.916 -3.857 5.029 1.00 60.03 C +ATOM 808 O ASP A 108 -12.865 -2.736 4.485 1.00 57.82 O +ATOM 809 CB ASP A 108 -11.199 -4.271 6.855 1.00 63.32 C +ATOM 810 CG ASP A 108 -10.270 -3.262 6.179 1.00 65.42 C +ATOM 811 OD1 ASP A 108 -10.507 -2.020 6.320 1.00 66.22 O +ATOM 812 OD2 ASP A 108 -9.243 -3.722 5.594 1.00 64.87 O +ATOM 813 N GLY A 109 -13.441 -4.933 4.444 1.00 60.54 N +ATOM 814 CA GLY A 109 -13.642 -5.031 3.013 1.00 56.86 C +ATOM 815 C GLY A 109 -12.806 -6.229 2.633 1.00 54.52 C +ATOM 816 O GLY A 109 -11.657 -6.009 2.215 1.00 54.84 O +ATOM 817 N LYS A 110 -13.233 -7.456 3.011 1.00 49.83 N +ATOM 818 CA LYS A 110 -12.387 -8.650 2.746 1.00 40.82 C +ATOM 819 C LYS A 110 -12.952 -9.795 1.918 1.00 34.42 C +ATOM 820 O LYS A 110 -14.017 -10.361 2.228 1.00 33.12 O +ATOM 821 CB LYS A 110 -11.834 -9.210 4.042 1.00 40.63 C +ATOM 822 CG LYS A 110 -10.863 -8.270 4.706 1.00 43.09 C +ATOM 823 CD LYS A 110 -9.807 -7.797 3.708 1.00 45.50 C +ATOM 824 CE LYS A 110 -8.731 -6.921 4.382 1.00 47.08 C +ATOM 825 NZ LYS A 110 -7.509 -6.841 3.509 1.00 47.71 N +ATOM 826 N VAL A 111 -12.153 -10.219 0.947 1.00 29.93 N +ATOM 827 CA VAL A 111 -12.576 -11.169 -0.069 1.00 29.68 C +ATOM 828 C VAL A 111 -11.673 -12.390 -0.096 1.00 28.07 C +ATOM 829 O VAL A 111 -10.490 -12.262 -0.453 1.00 24.60 O +ATOM 830 CB VAL A 111 -12.478 -10.537 -1.447 1.00 33.97 C +ATOM 831 CG1 VAL A 111 -12.661 -11.620 -2.524 1.00 32.15 C +ATOM 832 CG2 VAL A 111 -13.500 -9.400 -1.580 1.00 35.86 C +ATOM 833 N VAL A 112 -12.236 -13.573 0.163 1.00 23.42 N +ATOM 834 CA VAL A 112 -11.424 -14.787 0.198 1.00 22.24 C +ATOM 835 C VAL A 112 -11.822 -15.705 -0.941 1.00 20.47 C +ATOM 836 O VAL A 112 -13.000 -15.939 -1.146 1.00 19.09 O +ATOM 837 CB VAL A 112 -11.576 -15.566 1.533 1.00 23.15 C +ATOM 838 CG1 VAL A 112 -10.505 -16.626 1.628 1.00 20.46 C +ATOM 839 CG2 VAL A 112 -11.470 -14.642 2.715 1.00 19.46 C +ATOM 840 N ALA A 113 -10.833 -16.173 -1.703 1.00 20.00 N +ATOM 841 CA ALA A 113 -11.037 -17.149 -2.766 1.00 18.10 C +ATOM 842 C ALA A 113 -10.788 -18.588 -2.269 1.00 22.03 C +ATOM 843 O ALA A 113 -9.737 -18.874 -1.698 1.00 22.09 O +ATOM 844 CB ALA A 113 -10.117 -16.838 -3.900 1.00 19.29 C +ATOM 845 N VAL A 114 -11.715 -19.509 -2.526 1.00 20.07 N +ATOM 846 CA VAL A 114 -11.502 -20.902 -2.164 1.00 20.52 C +ATOM 847 C VAL A 114 -11.810 -21.846 -3.340 1.00 23.48 C +ATOM 848 O VAL A 114 -12.262 -21.396 -4.404 1.00 27.70 O +ATOM 849 CB VAL A 114 -12.368 -21.304 -0.948 1.00 14.64 C +ATOM 850 CG1 VAL A 114 -11.921 -20.558 0.292 1.00 19.58 C +ATOM 851 CG2 VAL A 114 -13.788 -20.986 -1.219 1.00 17.58 C +ATOM 852 N LYS A 115 -11.517 -23.139 -3.166 1.00 18.60 N +ATOM 853 CA LYS A 115 -11.965 -24.189 -4.077 1.00 18.51 C +ATOM 854 C LYS A 115 -13.329 -24.753 -3.648 1.00 18.44 C +ATOM 855 O LYS A 115 -13.545 -25.066 -2.471 1.00 20.15 O +ATOM 856 CB LYS A 115 -10.916 -25.309 -4.103 1.00 16.33 C +ATOM 857 CG LYS A 115 -11.343 -26.581 -4.820 1.00 20.90 C +ATOM 858 CD LYS A 115 -10.194 -27.561 -4.973 1.00 19.68 C +ATOM 859 CE LYS A 115 -10.651 -28.812 -5.712 1.00 22.24 C +ATOM 860 NZ LYS A 115 -11.917 -29.363 -5.133 1.00 26.34 N +ATOM 861 N SER A 116 -14.247 -24.903 -4.595 1.00 19.98 N +ATOM 862 CA SER A 116 -15.545 -25.490 -4.305 1.00 22.17 C +ATOM 863 C SER A 116 -15.333 -26.870 -3.737 1.00 23.00 C +ATOM 864 O SER A 116 -14.568 -27.668 -4.292 1.00 28.02 O +ATOM 865 CB SER A 116 -16.374 -25.630 -5.586 1.00 23.62 C +ATOM 866 OG SER A 116 -16.667 -24.370 -6.166 1.00 31.39 O +ATOM 867 N GLY A 117 -16.008 -27.164 -2.630 1.00 31.27 N +ATOM 868 CA GLY A 117 -16.188 -28.554 -2.203 1.00 30.46 C +ATOM 869 C GLY A 117 -15.108 -29.128 -1.295 1.00 31.42 C +ATOM 870 O GLY A 117 -14.759 -30.323 -1.387 1.00 35.16 O +ATOM 871 N THR A 118 -14.572 -28.277 -0.424 1.00 27.82 N +ATOM 872 CA THR A 118 -13.566 -28.688 0.536 1.00 27.41 C +ATOM 873 C THR A 118 -13.816 -28.030 1.887 1.00 26.84 C +ATOM 874 O THR A 118 -14.600 -27.103 1.986 1.00 31.84 O +ATOM 875 CB THR A 118 -12.140 -28.342 0.033 1.00 29.78 C +ATOM 876 OG1 THR A 118 -12.030 -26.937 -0.201 1.00 26.48 O +ATOM 877 CG2 THR A 118 -11.823 -29.097 -1.258 1.00 28.27 C +ATOM 878 N GLY A 119 -13.050 -28.426 2.895 1.00 28.62 N +ATOM 879 CA GLY A 119 -13.265 -27.950 4.246 1.00 22.25 C +ATOM 880 C GLY A 119 -12.998 -26.478 4.384 1.00 24.09 C +ATOM 881 O GLY A 119 -13.332 -25.880 5.415 1.00 32.13 O +ATOM 882 N SER A 120 -12.410 -25.886 3.353 1.00 24.59 N +ATOM 883 CA SER A 120 -12.151 -24.444 3.304 1.00 25.15 C +ATOM 884 C SER A 120 -13.427 -23.607 3.178 1.00 27.10 C +ATOM 885 O SER A 120 -13.495 -22.484 3.686 1.00 27.99 O +ATOM 886 CB SER A 120 -11.256 -24.127 2.114 1.00 23.34 C +ATOM 887 OG SER A 120 -11.840 -24.676 0.935 1.00 30.56 O +ATOM 888 N VAL A 121 -14.385 -24.092 2.396 1.00 27.03 N +ATOM 889 CA VAL A 121 -15.673 -23.432 2.291 1.00 22.58 C +ATOM 890 C VAL A 121 -16.277 -23.357 3.684 1.00 22.15 C +ATOM 891 O VAL A 121 -16.295 -22.305 4.320 1.00 23.40 O +ATOM 892 CB VAL A 121 -16.624 -24.229 1.406 1.00 24.76 C +ATOM 893 CG1 VAL A 121 -17.821 -23.379 1.045 1.00 23.33 C +ATOM 894 CG2 VAL A 121 -15.909 -24.701 0.171 1.00 25.52 C +ATOM 895 N ASP A 122 -16.671 -24.509 4.193 1.00 24.93 N +ATOM 896 CA ASP A 122 -17.229 -24.608 5.526 1.00 25.56 C +ATOM 897 C ASP A 122 -16.593 -23.626 6.518 1.00 30.31 C +ATOM 898 O ASP A 122 -17.168 -22.558 6.780 1.00 37.28 O +ATOM 899 CB ASP A 122 -17.106 -26.051 6.011 1.00 25.81 C +ATOM 900 CG ASP A 122 -17.945 -27.022 5.173 1.00 30.65 C +ATOM 901 OD1 ASP A 122 -19.000 -26.611 4.641 1.00 32.36 O +ATOM 902 OD2 ASP A 122 -17.589 -28.219 5.078 1.00 30.60 O +ATOM 903 N TYR A 123 -15.320 -23.830 6.832 1.00 28.51 N +ATOM 904 CA TYR A 123 -14.643 -23.035 7.859 1.00 28.06 C +ATOM 905 C TYR A 123 -14.824 -21.538 7.666 1.00 30.66 C +ATOM 906 O TYR A 123 -14.862 -20.785 8.632 1.00 30.12 O +ATOM 907 CB TYR A 123 -13.148 -23.363 7.875 1.00 29.21 C +ATOM 908 CG TYR A 123 -12.339 -22.523 8.842 1.00 29.68 C +ATOM 909 CD1 TYR A 123 -11.850 -21.267 8.462 1.00 25.14 C +ATOM 910 CD2 TYR A 123 -12.193 -22.912 10.171 1.00 26.53 C +ATOM 911 CE1 TYR A 123 -11.273 -20.414 9.388 1.00 27.53 C +ATOM 912 CE2 TYR A 123 -11.604 -22.071 11.097 1.00 29.08 C +ATOM 913 CZ TYR A 123 -11.168 -20.814 10.710 1.00 30.12 C +ATOM 914 OH TYR A 123 -10.784 -19.891 11.672 1.00 30.83 O +ATOM 915 N ALA A 124 -14.925 -21.103 6.415 1.00 31.45 N +ATOM 916 CA ALA A 124 -14.993 -19.678 6.109 1.00 31.82 C +ATOM 917 C ALA A 124 -16.407 -19.135 6.257 1.00 32.19 C +ATOM 918 O ALA A 124 -16.594 -17.950 6.573 1.00 34.04 O +ATOM 919 CB ALA A 124 -14.486 -19.423 4.701 1.00 30.89 C +ATOM 920 N LYS A 125 -17.390 -19.965 5.909 1.00 33.21 N +ATOM 921 CA LYS A 125 -18.798 -19.629 6.102 1.00 33.81 C +ATOM 922 C LYS A 125 -19.061 -19.326 7.602 1.00 39.90 C +ATOM 923 O LYS A 125 -19.865 -18.427 7.943 1.00 38.98 O +ATOM 924 CB LYS A 125 -19.674 -20.805 5.642 1.00 29.91 C +ATOM 925 CG LYS A 125 -19.677 -21.054 4.124 1.00 32.37 C +ATOM 926 CD LYS A 125 -20.761 -20.222 3.424 1.00 31.46 C +ATOM 927 CE LYS A 125 -20.666 -20.274 1.879 1.00 40.19 C +ATOM 928 NZ LYS A 125 -21.208 -19.034 1.132 1.00 36.13 N +ATOM 929 N ALA A 126 -18.341 -20.036 8.488 1.00 40.33 N +ATOM 930 CA ALA A 126 -18.559 -19.945 9.946 1.00 34.56 C +ATOM 931 C ALA A 126 -17.680 -18.925 10.676 1.00 32.03 C +ATOM 932 O ALA A 126 -18.137 -18.224 11.587 1.00 36.09 O +ATOM 933 CB ALA A 126 -18.384 -21.326 10.592 1.00 32.65 C +ATOM 934 N ASN A 127 -16.407 -18.881 10.325 1.00 31.11 N +ATOM 935 CA ASN A 127 -15.449 -18.167 11.151 1.00 33.89 C +ATOM 936 C ASN A 127 -14.954 -16.852 10.524 1.00 31.38 C +ATOM 937 O ASN A 127 -13.993 -16.237 11.008 1.00 33.64 O +ATOM 938 CB ASN A 127 -14.267 -19.104 11.453 1.00 37.62 C +ATOM 939 CG ASN A 127 -14.718 -20.523 11.880 1.00 37.20 C +ATOM 940 OD1 ASN A 127 -15.652 -21.096 11.316 1.00 39.43 O +ATOM 941 ND2 ASN A 127 -13.990 -21.115 12.820 1.00 36.09 N +ATOM 942 N ILE A 128 -15.515 -16.466 9.382 1.00 34.22 N +ATOM 943 CA ILE A 128 -15.093 -15.210 8.751 1.00 34.41 C +ATOM 944 C ILE A 128 -16.270 -14.406 8.185 1.00 32.92 C +ATOM 945 O ILE A 128 -17.305 -14.962 7.796 1.00 28.73 O +ATOM 946 CB ILE A 128 -14.025 -15.458 7.635 1.00 30.67 C +ATOM 947 CG1 ILE A 128 -12.788 -16.123 8.229 1.00 29.77 C +ATOM 948 CG2 ILE A 128 -13.578 -14.147 7.026 1.00 29.06 C +ATOM 949 CD1 ILE A 128 -12.177 -17.162 7.326 1.00 31.25 C +ATOM 950 N LYS A 129 -16.184 -13.093 8.364 1.00 38.36 N +ATOM 951 CA LYS A 129 -17.192 -12.165 7.863 1.00 39.98 C +ATOM 952 C LYS A 129 -16.618 -11.518 6.594 1.00 39.12 C +ATOM 953 O LYS A 129 -16.351 -10.300 6.558 1.00 35.72 O +ATOM 954 CB LYS A 129 -17.491 -11.096 8.923 1.00 41.70 C +ATOM 955 CG LYS A 129 -18.860 -10.410 8.825 1.00 46.80 C +ATOM 956 CD LYS A 129 -19.325 -10.111 7.378 1.00 47.13 C +ATOM 957 CE LYS A 129 -19.283 -8.625 7.055 1.00 44.32 C +ATOM 958 NZ LYS A 129 -17.883 -8.133 7.157 1.00 44.20 N +ATOM 959 N THR A 130 -16.426 -12.335 5.561 1.00 36.89 N +ATOM 960 CA THR A 130 -15.902 -11.848 4.289 1.00 38.27 C +ATOM 961 C THR A 130 -16.868 -10.848 3.639 1.00 39.28 C +ATOM 962 O THR A 130 -18.094 -11.062 3.618 1.00 36.25 O +ATOM 963 CB THR A 130 -15.693 -13.011 3.320 1.00 37.07 C +ATOM 964 OG1 THR A 130 -16.841 -13.876 3.356 1.00 33.07 O +ATOM 965 CG2 THR A 130 -14.472 -13.800 3.717 1.00 37.58 C +ATOM 966 N LYS A 131 -16.349 -9.733 3.139 1.00 37.00 N +ATOM 967 CA LYS A 131 -17.198 -8.924 2.297 1.00 38.98 C +ATOM 968 C LYS A 131 -17.667 -9.871 1.190 1.00 40.69 C +ATOM 969 O LYS A 131 -18.862 -10.204 1.158 1.00 43.96 O +ATOM 970 CB LYS A 131 -16.451 -7.701 1.755 1.00 36.10 C +ATOM 971 CG LYS A 131 -16.926 -6.349 2.387 1.00 37.06 C +ATOM 972 CD LYS A 131 -18.059 -6.529 3.458 1.00 33.36 C +ATOM 973 CE LYS A 131 -19.071 -5.369 3.436 1.00 29.02 C +ATOM 974 NZ LYS A 131 -20.364 -5.735 2.774 1.00 27.72 N +ATOM 975 N ASP A 132 -16.705 -10.607 0.616 1.00 39.72 N +ATOM 976 CA ASP A 132 -17.020 -11.647 -0.371 1.00 33.28 C +ATOM 977 C ASP A 132 -16.268 -12.980 -0.196 1.00 31.16 C +ATOM 978 O ASP A 132 -15.116 -13.011 0.256 1.00 21.97 O +ATOM 979 CB ASP A 132 -16.776 -11.112 -1.781 1.00 34.13 C +ATOM 980 CG ASP A 132 -17.718 -11.710 -2.786 1.00 31.10 C +ATOM 981 OD1 ASP A 132 -18.828 -12.109 -2.339 1.00 34.41 O +ATOM 982 OD2 ASP A 132 -17.331 -11.829 -3.986 1.00 30.21 O +ATOM 983 N LEU A 133 -16.964 -14.076 -0.498 1.00 28.49 N +ATOM 984 CA LEU A 133 -16.379 -15.409 -0.473 1.00 26.69 C +ATOM 985 C LEU A 133 -16.587 -16.079 -1.830 1.00 29.51 C +ATOM 986 O LEU A 133 -17.650 -16.662 -2.072 1.00 32.01 O +ATOM 987 CB LEU A 133 -17.035 -16.269 0.613 1.00 22.60 C +ATOM 988 CG LEU A 133 -16.525 -17.711 0.819 1.00 24.39 C +ATOM 989 CD1 LEU A 133 -15.205 -17.731 1.582 1.00 18.21 C +ATOM 990 CD2 LEU A 133 -17.543 -18.498 1.588 1.00 18.07 C +ATOM 991 N ARG A 134 -15.541 -16.088 -2.661 1.00 24.10 N +ATOM 992 CA ARG A 134 -15.633 -16.560 -4.040 1.00 19.67 C +ATOM 993 C ARG A 134 -15.258 -18.013 -4.122 1.00 18.74 C +ATOM 994 O ARG A 134 -14.158 -18.359 -3.725 1.00 24.25 O +ATOM 995 CB ARG A 134 -14.658 -15.795 -4.911 1.00 22.80 C +ATOM 996 CG ARG A 134 -15.078 -14.391 -5.244 1.00 27.09 C +ATOM 997 CD ARG A 134 -13.871 -13.513 -5.163 1.00 28.08 C +ATOM 998 NE ARG A 134 -14.124 -12.171 -5.670 1.00 33.75 N +ATOM 999 CZ ARG A 134 -13.895 -11.791 -6.923 1.00 37.27 C +ATOM 1000 NH1 ARG A 134 -13.872 -12.691 -7.903 1.00 40.02 N +ATOM 1001 NH2 ARG A 134 -13.875 -10.498 -7.215 1.00 40.83 N +ATOM 1002 N GLN A 135 -16.056 -18.821 -4.807 1.00 14.00 N +ATOM 1003 CA GLN A 135 -15.712 -20.227 -4.961 1.00 19.29 C +ATOM 1004 C GLN A 135 -15.389 -20.626 -6.396 1.00 19.64 C +ATOM 1005 O GLN A 135 -16.103 -20.270 -7.332 1.00 19.89 O +ATOM 1006 CB GLN A 135 -16.831 -21.104 -4.417 1.00 22.44 C +ATOM 1007 CG GLN A 135 -17.047 -20.981 -2.908 1.00 26.18 C +ATOM 1008 CD GLN A 135 -18.374 -21.570 -2.464 1.00 28.09 C +ATOM 1009 OE1 GLN A 135 -18.608 -22.778 -2.584 1.00 27.34 O +ATOM 1010 NE2 GLN A 135 -19.290 -20.702 -2.045 1.00 30.70 N +ATOM 1011 N PHE A 136 -14.284 -21.346 -6.567 1.00 20.23 N +ATOM 1012 CA PHE A 136 -13.839 -21.753 -7.891 1.00 20.55 C +ATOM 1013 C PHE A 136 -13.824 -23.250 -8.106 1.00 23.16 C +ATOM 1014 O PHE A 136 -13.980 -24.028 -7.163 1.00 22.56 O +ATOM 1015 CB PHE A 136 -12.465 -21.180 -8.186 1.00 17.80 C +ATOM 1016 CG PHE A 136 -12.487 -19.730 -8.389 1.00 23.60 C +ATOM 1017 CD1 PHE A 136 -13.197 -19.199 -9.451 1.00 20.58 C +ATOM 1018 CD2 PHE A 136 -12.041 -18.878 -7.385 1.00 22.64 C +ATOM 1019 CE1 PHE A 136 -13.486 -17.858 -9.501 1.00 21.53 C +ATOM 1020 CE2 PHE A 136 -12.318 -17.521 -7.434 1.00 18.12 C +ATOM 1021 CZ PHE A 136 -13.046 -17.015 -8.488 1.00 20.92 C +ATOM 1022 N PRO A 137 -13.820 -23.667 -9.375 1.00 25.59 N +ATOM 1023 CA PRO A 137 -13.872 -25.100 -9.640 1.00 25.37 C +ATOM 1024 C PRO A 137 -12.526 -25.749 -9.313 1.00 28.83 C +ATOM 1025 O PRO A 137 -12.490 -26.856 -8.774 1.00 32.31 O +ATOM 1026 CB PRO A 137 -14.234 -25.172 -11.132 1.00 26.44 C +ATOM 1027 CG PRO A 137 -14.877 -23.833 -11.430 1.00 21.90 C +ATOM 1028 CD PRO A 137 -14.055 -22.880 -10.600 1.00 24.62 C +ATOM 1029 N ASN A 138 -11.429 -25.018 -9.524 1.00 27.11 N +ATOM 1030 CA ASN A 138 -10.102 -25.497 -9.119 1.00 25.56 C +ATOM 1031 C ASN A 138 -9.349 -24.392 -8.376 1.00 25.16 C +ATOM 1032 O ASN A 138 -9.733 -23.231 -8.508 1.00 28.45 O +ATOM 1033 CB ASN A 138 -9.290 -25.978 -10.337 1.00 24.58 C +ATOM 1034 CG ASN A 138 -9.581 -25.185 -11.602 1.00 28.25 C +ATOM 1035 OD1 ASN A 138 -10.411 -25.586 -12.412 1.00 31.62 O +ATOM 1036 ND2 ASN A 138 -8.790 -24.150 -11.850 1.00 31.49 N +ATOM 1037 N ILE A 139 -8.309 -24.732 -7.593 1.00 19.92 N +ATOM 1038 CA ILE A 139 -7.592 -23.731 -6.773 1.00 21.24 C +ATOM 1039 C ILE A 139 -6.732 -22.874 -7.659 1.00 17.42 C +ATOM 1040 O ILE A 139 -6.441 -21.726 -7.343 1.00 20.22 O +ATOM 1041 CB ILE A 139 -6.608 -24.327 -5.746 1.00 23.68 C +ATOM 1042 CG1 ILE A 139 -6.633 -25.841 -5.819 1.00 29.91 C +ATOM 1043 CG2 ILE A 139 -6.874 -23.763 -4.360 1.00 12.68 C +ATOM 1044 CD1 ILE A 139 -5.875 -26.392 -7.008 1.00 36.42 C +ATOM 1045 N ASP A 140 -6.118 -23.520 -8.628 1.00 20.43 N +ATOM 1046 CA ASP A 140 -5.474 -22.793 -9.692 1.00 20.92 C +ATOM 1047 C ASP A 140 -6.266 -21.530 -10.059 1.00 21.71 C +ATOM 1048 O ASP A 140 -5.715 -20.436 -10.030 1.00 21.81 O +ATOM 1049 CB ASP A 140 -5.323 -23.708 -10.896 1.00 27.14 C +ATOM 1050 CG ASP A 140 -4.147 -23.345 -11.727 1.00 28.38 C +ATOM 1051 OD1 ASP A 140 -3.045 -23.231 -11.157 1.00 26.93 O +ATOM 1052 OD2 ASP A 140 -4.352 -23.066 -12.929 1.00 33.11 O +ATOM 1053 N ASN A 141 -7.591 -21.645 -10.184 1.00 18.34 N +ATOM 1054 CA ASN A 141 -8.425 -20.467 -10.440 1.00 19.91 C +ATOM 1055 C ASN A 141 -8.284 -19.464 -9.323 1.00 20.03 C +ATOM 1056 O ASN A 141 -8.222 -18.254 -9.556 1.00 22.81 O +ATOM 1057 CB ASN A 141 -9.895 -20.836 -10.549 1.00 17.98 C +ATOM 1058 CG ASN A 141 -10.252 -21.448 -11.878 1.00 14.62 C +ATOM 1059 OD1 ASN A 141 -11.410 -21.826 -12.083 1.00 17.22 O +ATOM 1060 ND2 ASN A 141 -9.271 -21.603 -12.771 1.00 14.97 N +ATOM 1061 N ALA A 142 -8.338 -19.966 -8.099 1.00 18.70 N +ATOM 1062 CA ALA A 142 -8.206 -19.121 -6.932 1.00 19.11 C +ATOM 1063 C ALA A 142 -6.861 -18.385 -6.930 1.00 18.20 C +ATOM 1064 O ALA A 142 -6.813 -17.179 -6.674 1.00 26.22 O +ATOM 1065 CB ALA A 142 -8.366 -19.956 -5.694 1.00 17.15 C +ATOM 1066 N TYR A 143 -5.786 -19.077 -7.301 1.00 19.40 N +ATOM 1067 CA TYR A 143 -4.446 -18.465 -7.392 1.00 22.06 C +ATOM 1068 C TYR A 143 -4.409 -17.263 -8.336 1.00 21.09 C +ATOM 1069 O TYR A 143 -3.803 -16.236 -8.023 1.00 21.03 O +ATOM 1070 CB TYR A 143 -3.401 -19.498 -7.858 1.00 17.02 C +ATOM 1071 CG TYR A 143 -3.090 -20.553 -6.817 1.00 18.45 C +ATOM 1072 CD1 TYR A 143 -3.394 -20.337 -5.470 1.00 17.94 C +ATOM 1073 CD2 TYR A 143 -2.580 -21.786 -7.181 1.00 18.24 C +ATOM 1074 CE1 TYR A 143 -3.200 -21.312 -4.525 1.00 13.09 C +ATOM 1075 CE2 TYR A 143 -2.403 -22.776 -6.241 1.00 19.45 C +ATOM 1076 CZ TYR A 143 -2.708 -22.529 -4.912 1.00 18.08 C +ATOM 1077 OH TYR A 143 -2.492 -23.493 -3.958 1.00 13.13 O +ATOM 1078 N MET A 144 -5.067 -17.395 -9.482 1.00 20.00 N +ATOM 1079 CA MET A 144 -5.044 -16.379 -10.515 1.00 23.33 C +ATOM 1080 C MET A 144 -5.903 -15.223 -10.067 1.00 23.28 C +ATOM 1081 O MET A 144 -5.661 -14.086 -10.462 1.00 23.95 O +ATOM 1082 CB MET A 144 -5.577 -16.948 -11.837 1.00 24.49 C +ATOM 1083 CG MET A 144 -4.768 -18.136 -12.379 1.00 20.35 C +ATOM 1084 SD MET A 144 -5.471 -18.943 -13.854 1.00 30.07 S +ATOM 1085 CE MET A 144 -7.028 -19.413 -13.361 1.00 17.28 C +ATOM 1086 N GLU A 145 -6.859 -15.498 -9.182 1.00 25.56 N +ATOM 1087 CA GLU A 145 -7.639 -14.429 -8.567 1.00 24.79 C +ATOM 1088 C GLU A 145 -6.788 -13.568 -7.641 1.00 25.05 C +ATOM 1089 O GLU A 145 -6.838 -12.332 -7.729 1.00 29.91 O +ATOM 1090 CB GLU A 145 -8.827 -14.997 -7.796 1.00 24.31 C +ATOM 1091 CG GLU A 145 -10.121 -14.971 -8.578 1.00 30.17 C +ATOM 1092 CD GLU A 145 -10.895 -13.667 -8.396 1.00 34.62 C +ATOM 1093 OE1 GLU A 145 -11.589 -13.520 -7.366 1.00 33.34 O +ATOM 1094 OE2 GLU A 145 -10.863 -12.804 -9.307 1.00 35.75 O +ATOM 1095 N LEU A 146 -6.007 -14.209 -6.768 1.00 20.52 N +ATOM 1096 CA LEU A 146 -5.018 -13.505 -5.944 1.00 20.89 C +ATOM 1097 C LEU A 146 -3.963 -12.886 -6.840 1.00 19.88 C +ATOM 1098 O LEU A 146 -3.278 -11.968 -6.438 1.00 19.15 O +ATOM 1099 CB LEU A 146 -4.308 -14.468 -4.975 1.00 26.83 C +ATOM 1100 CG LEU A 146 -4.136 -14.099 -3.479 1.00 28.09 C +ATOM 1101 CD1 LEU A 146 -2.884 -14.751 -2.934 1.00 26.65 C +ATOM 1102 CD2 LEU A 146 -4.062 -12.595 -3.277 1.00 29.57 C +ATOM 1103 N GLY A 147 -3.631 -13.616 -7.895 1.00 25.42 N +ATOM 1104 CA GLY A 147 -2.728 -13.117 -8.907 1.00 27.58 C +ATOM 1105 C GLY A 147 -2.995 -11.662 -9.209 1.00 31.18 C +ATOM 1106 O GLY A 147 -2.124 -10.836 -8.972 1.00 32.21 O +ATOM 1107 N THR A 148 -4.181 -11.343 -9.731 1.00 29.23 N +ATOM 1108 CA THR A 148 -4.618 -9.953 -9.887 1.00 25.25 C +ATOM 1109 C THR A 148 -5.003 -9.457 -8.503 1.00 26.40 C +ATOM 1110 O THR A 148 -4.623 -10.078 -7.520 1.00 31.81 O +ATOM 1111 CB THR A 148 -5.830 -9.874 -10.789 1.00 29.88 C +ATOM 1112 OG1 THR A 148 -5.703 -10.845 -11.836 1.00 22.50 O +ATOM 1113 CG2 THR A 148 -5.937 -8.490 -11.398 1.00 36.07 C +ATOM 1114 N ASN A 149 -5.825 -8.421 -8.390 1.00 28.33 N +ATOM 1115 CA ASN A 149 -6.236 -8.002 -7.051 1.00 28.57 C +ATOM 1116 C ASN A 149 -7.734 -8.057 -6.789 1.00 32.45 C +ATOM 1117 O ASN A 149 -8.337 -7.070 -6.348 1.00 29.90 O +ATOM 1118 CB ASN A 149 -5.711 -6.608 -6.749 1.00 32.21 C +ATOM 1119 CG ASN A 149 -4.253 -6.619 -6.372 1.00 34.53 C +ATOM 1120 OD1 ASN A 149 -3.563 -7.633 -6.560 1.00 36.03 O +ATOM 1121 ND2 ASN A 149 -3.755 -5.489 -5.843 1.00 37.36 N +ATOM 1122 N ARG A 150 -8.323 -9.227 -7.031 1.00 33.36 N +ATOM 1123 CA ARG A 150 -9.738 -9.465 -6.738 1.00 38.30 C +ATOM 1124 C ARG A 150 -9.888 -10.252 -5.446 1.00 35.07 C +ATOM 1125 O ARG A 150 -10.927 -10.177 -4.762 1.00 35.37 O +ATOM 1126 CB ARG A 150 -10.394 -10.253 -7.871 1.00 39.54 C +ATOM 1127 CG ARG A 150 -10.007 -9.781 -9.278 1.00 47.04 C +ATOM 1128 CD ARG A 150 -10.667 -8.452 -9.628 1.00 50.33 C +ATOM 1129 NE ARG A 150 -9.867 -7.313 -9.181 1.00 53.56 N +ATOM 1130 CZ ARG A 150 -9.853 -6.124 -9.785 1.00 55.93 C +ATOM 1131 NH1 ARG A 150 -10.776 -5.823 -10.713 1.00 52.70 N +ATOM 1132 NH2 ARG A 150 -8.992 -5.192 -9.365 1.00 56.39 N +ATOM 1133 N ALA A 151 -8.903 -11.086 -5.159 1.00 32.33 N +ATOM 1134 CA ALA A 151 -8.899 -11.772 -3.888 1.00 28.46 C +ATOM 1135 C ALA A 151 -7.878 -11.118 -2.990 1.00 29.29 C +ATOM 1136 O ALA A 151 -6.776 -10.772 -3.434 1.00 24.43 O +ATOM 1137 CB ALA A 151 -8.570 -13.239 -4.079 1.00 31.84 C +ATOM 1138 N ASP A 152 -8.302 -10.852 -1.759 1.00 28.12 N +ATOM 1139 CA ASP A 152 -7.410 -10.449 -0.688 1.00 28.27 C +ATOM 1140 C ASP A 152 -6.523 -11.616 -0.275 1.00 29.29 C +ATOM 1141 O ASP A 152 -5.293 -11.496 -0.200 1.00 28.96 O +ATOM 1142 CB ASP A 152 -8.236 -9.997 0.509 1.00 33.51 C +ATOM 1143 CG ASP A 152 -8.880 -8.619 0.294 1.00 39.28 C +ATOM 1144 OD1 ASP A 152 -8.177 -7.589 0.504 1.00 35.44 O +ATOM 1145 OD2 ASP A 152 -10.100 -8.578 -0.034 1.00 37.66 O +ATOM 1146 N ALA A 153 -7.152 -12.746 0.003 1.00 28.36 N +ATOM 1147 CA ALA A 153 -6.443 -13.904 0.509 1.00 29.66 C +ATOM 1148 C ALA A 153 -7.047 -15.163 -0.080 1.00 29.53 C +ATOM 1149 O ALA A 153 -8.195 -15.148 -0.541 1.00 30.22 O +ATOM 1150 CB ALA A 153 -6.540 -13.938 2.011 1.00 26.75 C +ATOM 1151 N VAL A 154 -6.245 -16.219 -0.157 1.00 26.89 N +ATOM 1152 CA VAL A 154 -6.742 -17.556 -0.473 1.00 26.27 C +ATOM 1153 C VAL A 154 -6.706 -18.371 0.819 1.00 27.57 C +ATOM 1154 O VAL A 154 -5.952 -18.055 1.738 1.00 29.64 O +ATOM 1155 CB VAL A 154 -5.851 -18.239 -1.547 1.00 25.00 C +ATOM 1156 CG1 VAL A 154 -6.258 -19.706 -1.774 1.00 21.50 C +ATOM 1157 CG2 VAL A 154 -5.966 -17.479 -2.850 1.00 24.43 C +ATOM 1158 N LEU A 155 -7.562 -19.378 0.904 1.00 28.10 N +ATOM 1159 CA LEU A 155 -7.583 -20.322 2.018 1.00 23.70 C +ATOM 1160 C LEU A 155 -7.616 -21.727 1.375 1.00 21.14 C +ATOM 1161 O LEU A 155 -8.427 -21.989 0.479 1.00 22.67 O +ATOM 1162 CB LEU A 155 -8.842 -20.075 2.872 1.00 19.81 C +ATOM 1163 CG LEU A 155 -8.983 -20.622 4.295 1.00 19.94 C +ATOM 1164 CD1 LEU A 155 -8.190 -19.781 5.273 1.00 14.71 C +ATOM 1165 CD2 LEU A 155 -10.446 -20.602 4.684 1.00 19.66 C +ATOM 1166 N HIS A 156 -6.650 -22.569 1.726 1.00 22.20 N +ATOM 1167 CA HIS A 156 -6.539 -23.914 1.180 1.00 14.35 C +ATOM 1168 C HIS A 156 -5.690 -24.680 2.191 1.00 17.80 C +ATOM 1169 O HIS A 156 -5.472 -24.194 3.303 1.00 12.29 O +ATOM 1170 CB HIS A 156 -5.860 -23.858 -0.197 1.00 13.58 C +ATOM 1171 CG HIS A 156 -6.157 -25.035 -1.078 1.00 13.51 C +ATOM 1172 ND1 HIS A 156 -5.273 -25.482 -2.035 1.00 11.88 N +ATOM 1173 CD2 HIS A 156 -7.197 -25.901 -1.092 1.00 12.53 C +ATOM 1174 CE1 HIS A 156 -5.738 -26.594 -2.581 1.00 11.35 C +ATOM 1175 NE2 HIS A 156 -6.904 -26.869 -2.026 1.00 14.67 N +ATOM 1176 N ASP A 157 -5.285 -25.902 1.847 1.00 19.60 N +ATOM 1177 CA ASP A 157 -4.585 -26.753 2.801 1.00 18.71 C +ATOM 1178 C ASP A 157 -3.087 -26.494 2.911 1.00 18.54 C +ATOM 1179 O ASP A 157 -2.449 -26.035 1.961 1.00 21.51 O +ATOM 1180 CB ASP A 157 -4.871 -28.250 2.536 1.00 22.29 C +ATOM 1181 CG ASP A 157 -4.485 -28.711 1.132 1.00 28.19 C +ATOM 1182 OD1 ASP A 157 -5.336 -28.633 0.214 1.00 33.49 O +ATOM 1183 OD2 ASP A 157 -3.393 -29.294 0.959 1.00 29.99 O +ATOM 1184 N THR A 158 -2.560 -26.727 4.112 1.00 19.60 N +ATOM 1185 CA THR A 158 -1.179 -26.433 4.491 1.00 15.22 C +ATOM 1186 C THR A 158 -0.124 -26.893 3.483 1.00 14.87 C +ATOM 1187 O THR A 158 0.819 -26.157 3.214 1.00 16.90 O +ATOM 1188 CB THR A 158 -0.863 -27.061 5.891 1.00 17.27 C +ATOM 1189 OG1 THR A 158 -1.761 -26.535 6.877 1.00 16.92 O +ATOM 1190 CG2 THR A 158 0.561 -26.786 6.310 1.00 13.11 C +ATOM 1191 N PRO A 159 -0.160 -28.177 3.065 1.00 16.93 N +ATOM 1192 CA PRO A 159 0.912 -28.678 2.189 1.00 12.73 C +ATOM 1193 C PRO A 159 0.834 -28.102 0.788 1.00 13.66 C +ATOM 1194 O PRO A 159 1.860 -27.836 0.160 1.00 9.11 O +ATOM 1195 CB PRO A 159 0.693 -30.188 2.169 1.00 13.48 C +ATOM 1196 CG PRO A 159 -0.187 -30.480 3.329 1.00 14.62 C +ATOM 1197 CD PRO A 159 -1.058 -29.269 3.477 1.00 13.15 C +ATOM 1198 N ASN A 160 -0.389 -27.932 0.295 1.00 14.77 N +ATOM 1199 CA ASN A 160 -0.617 -27.407 -1.048 1.00 12.91 C +ATOM 1200 C ASN A 160 -0.160 -25.971 -1.186 1.00 11.81 C +ATOM 1201 O ASN A 160 0.490 -25.633 -2.170 1.00 15.29 O +ATOM 1202 CB ASN A 160 -2.100 -27.498 -1.427 1.00 17.36 C +ATOM 1203 CG ASN A 160 -2.453 -28.795 -2.156 1.00 15.53 C +ATOM 1204 OD1 ASN A 160 -1.657 -29.329 -2.903 1.00 21.74 O +ATOM 1205 ND2 ASN A 160 -3.676 -29.258 -1.985 1.00 20.12 N +ATOM 1206 N ILE A 161 -0.503 -25.109 -0.230 1.00 13.69 N +ATOM 1207 CA ILE A 161 -0.076 -23.723 -0.335 1.00 9.56 C +ATOM 1208 C ILE A 161 1.415 -23.576 -0.057 1.00 14.67 C +ATOM 1209 O ILE A 161 2.135 -22.890 -0.802 1.00 21.32 O +ATOM 1210 CB ILE A 161 -0.870 -22.773 0.587 1.00 16.80 C +ATOM 1211 CG1 ILE A 161 -0.356 -22.858 2.003 1.00 17.71 C +ATOM 1212 CG2 ILE A 161 -2.336 -23.066 0.537 1.00 22.26 C +ATOM 1213 CD1 ILE A 161 0.505 -21.686 2.368 1.00 24.59 C +ATOM 1214 N LEU A 162 1.903 -24.286 0.958 1.00 18.32 N +ATOM 1215 CA LEU A 162 3.302 -24.203 1.358 1.00 17.68 C +ATOM 1216 C LEU A 162 4.169 -24.571 0.185 1.00 15.47 C +ATOM 1217 O LEU A 162 4.949 -23.749 -0.289 1.00 24.92 O +ATOM 1218 CB LEU A 162 3.580 -25.140 2.524 1.00 19.90 C +ATOM 1219 CG LEU A 162 4.183 -24.589 3.815 1.00 21.16 C +ATOM 1220 CD1 LEU A 162 3.548 -23.287 4.190 1.00 21.03 C +ATOM 1221 CD2 LEU A 162 3.977 -25.577 4.936 1.00 20.20 C +ATOM 1222 N TYR A 163 3.889 -25.723 -0.402 1.00 14.28 N +ATOM 1223 CA TYR A 163 4.655 -26.194 -1.542 1.00 17.57 C +ATOM 1224 C TYR A 163 4.480 -25.315 -2.765 1.00 17.04 C +ATOM 1225 O TYR A 163 5.431 -25.117 -3.510 1.00 13.99 O +ATOM 1226 CB TYR A 163 4.289 -27.656 -1.884 1.00 19.80 C +ATOM 1227 CG TYR A 163 5.244 -28.347 -2.855 1.00 14.92 C +ATOM 1228 CD1 TYR A 163 6.593 -28.492 -2.560 1.00 15.40 C +ATOM 1229 CD2 TYR A 163 4.786 -28.837 -4.068 1.00 13.88 C +ATOM 1230 CE1 TYR A 163 7.472 -29.109 -3.465 1.00 17.83 C +ATOM 1231 CE2 TYR A 163 5.638 -29.456 -4.971 1.00 18.23 C +ATOM 1232 CZ TYR A 163 6.981 -29.600 -4.678 1.00 20.26 C +ATOM 1233 OH TYR A 163 7.807 -30.277 -5.582 1.00 22.82 O +ATOM 1234 N PHE A 164 3.303 -24.718 -2.948 1.00 19.57 N +ATOM 1235 CA PHE A 164 3.114 -23.822 -4.096 1.00 17.45 C +ATOM 1236 C PHE A 164 4.014 -22.613 -3.943 1.00 15.09 C +ATOM 1237 O PHE A 164 4.721 -22.235 -4.885 1.00 14.84 O +ATOM 1238 CB PHE A 164 1.666 -23.356 -4.256 1.00 14.30 C +ATOM 1239 CG PHE A 164 1.462 -22.399 -5.416 1.00 16.46 C +ATOM 1240 CD1 PHE A 164 1.322 -22.873 -6.709 1.00 20.89 C +ATOM 1241 CD2 PHE A 164 1.417 -21.022 -5.208 1.00 16.34 C +ATOM 1242 CE1 PHE A 164 1.135 -21.999 -7.773 1.00 20.87 C +ATOM 1243 CE2 PHE A 164 1.237 -20.147 -6.255 1.00 16.00 C +ATOM 1244 CZ PHE A 164 1.094 -20.634 -7.543 1.00 18.58 C +ATOM 1245 N ILE A 165 4.102 -22.093 -2.727 1.00 12.66 N +ATOM 1246 CA ILE A 165 4.884 -20.897 -2.528 1.00 12.07 C +ATOM 1247 C ILE A 165 6.330 -21.181 -2.828 1.00 19.56 C +ATOM 1248 O ILE A 165 7.056 -20.286 -3.262 1.00 19.72 O +ATOM 1249 CB ILE A 165 4.746 -20.357 -1.117 1.00 10.94 C +ATOM 1250 CG1 ILE A 165 3.345 -19.792 -0.933 1.00 8.09 C +ATOM 1251 CG2 ILE A 165 5.755 -19.248 -0.895 1.00 13.31 C +ATOM 1252 CD1 ILE A 165 3.060 -19.375 0.434 1.00 11.94 C +ATOM 1253 N LYS A 166 6.681 -22.464 -2.823 1.00 19.04 N +ATOM 1254 CA LYS A 166 8.072 -22.871 -2.921 1.00 19.67 C +ATOM 1255 C LYS A 166 8.497 -23.042 -4.377 1.00 19.42 C +ATOM 1256 O LYS A 166 9.652 -22.835 -4.737 1.00 25.49 O +ATOM 1257 CB LYS A 166 8.252 -24.184 -2.146 1.00 25.88 C +ATOM 1258 CG LYS A 166 9.602 -24.400 -1.479 1.00 24.32 C +ATOM 1259 CD LYS A 166 9.931 -25.888 -1.420 1.00 24.63 C +ATOM 1260 CE LYS A 166 11.417 -26.144 -1.110 1.00 31.16 C +ATOM 1261 NZ LYS A 166 11.993 -27.299 -1.891 1.00 29.21 N +ATOM 1262 N THR A 167 7.562 -23.396 -5.234 1.00 20.99 N +ATOM 1263 CA THR A 167 7.936 -23.842 -6.558 1.00 20.07 C +ATOM 1264 C THR A 167 7.507 -22.886 -7.647 1.00 23.80 C +ATOM 1265 O THR A 167 8.101 -22.881 -8.719 1.00 29.40 O +ATOM 1266 CB THR A 167 7.288 -25.169 -6.844 1.00 19.32 C +ATOM 1267 OG1 THR A 167 5.935 -25.114 -6.386 1.00 21.86 O +ATOM 1268 CG2 THR A 167 7.995 -26.268 -6.121 1.00 15.45 C +ATOM 1269 N ALA A 168 6.345 -22.258 -7.475 1.00 26.47 N +ATOM 1270 CA ALA A 168 5.716 -21.530 -8.589 1.00 26.58 C +ATOM 1271 C ALA A 168 5.213 -20.147 -8.205 1.00 28.06 C +ATOM 1272 O ALA A 168 5.015 -19.283 -9.063 1.00 33.47 O +ATOM 1273 CB ALA A 168 4.568 -22.347 -9.175 1.00 20.18 C +ATOM 1274 N GLY A 169 4.893 -19.965 -6.933 1.00 29.20 N +ATOM 1275 CA GLY A 169 4.568 -18.631 -6.469 1.00 31.59 C +ATOM 1276 C GLY A 169 5.811 -17.974 -5.923 1.00 33.75 C +ATOM 1277 O GLY A 169 5.747 -16.885 -5.345 1.00 33.18 O +ATOM 1278 N ASN A 170 6.909 -18.732 -5.963 1.00 41.93 N +ATOM 1279 CA ASN A 170 8.235 -18.253 -5.542 1.00 44.49 C +ATOM 1280 C ASN A 170 8.387 -16.858 -6.183 1.00 43.53 C +ATOM 1281 O ASN A 170 8.047 -16.661 -7.372 1.00 39.10 O +ATOM 1282 CB ASN A 170 9.334 -19.247 -6.018 1.00 45.96 C +ATOM 1283 CG ASN A 170 10.550 -19.300 -5.072 1.00 48.09 C +ATOM 1284 OD1 ASN A 170 10.634 -18.497 -4.132 1.00 50.03 O +ATOM 1285 ND2 ASN A 170 11.492 -20.244 -5.309 1.00 45.26 N +ATOM 1286 N GLY A 171 8.609 -15.873 -5.311 1.00 40.06 N +ATOM 1287 CA GLY A 171 8.399 -14.481 -5.653 1.00 36.05 C +ATOM 1288 C GLY A 171 7.252 -13.889 -4.836 1.00 33.48 C +ATOM 1289 O GLY A 171 7.455 -13.498 -3.677 1.00 31.19 O +ATOM 1290 N GLN A 172 6.032 -14.149 -5.300 1.00 33.76 N +ATOM 1291 CA GLN A 172 4.918 -13.214 -5.187 1.00 32.12 C +ATOM 1292 C GLN A 172 3.947 -13.380 -4.025 1.00 32.02 C +ATOM 1293 O GLN A 172 3.225 -12.423 -3.690 1.00 25.40 O +ATOM 1294 CB GLN A 172 4.122 -13.215 -6.500 1.00 39.14 C +ATOM 1295 CG GLN A 172 4.982 -13.478 -7.771 1.00 49.36 C +ATOM 1296 CD GLN A 172 6.347 -12.737 -7.757 1.00 54.65 C +ATOM 1297 OE1 GLN A 172 6.677 -12.019 -6.783 1.00 55.30 O +ATOM 1298 NE2 GLN A 172 7.163 -12.945 -8.812 1.00 56.20 N +ATOM 1299 N PHE A 173 3.840 -14.599 -3.480 1.00 30.77 N +ATOM 1300 CA PHE A 173 2.827 -14.875 -2.448 1.00 24.96 C +ATOM 1301 C PHE A 173 3.442 -15.085 -1.077 1.00 24.22 C +ATOM 1302 O PHE A 173 4.655 -15.163 -0.945 1.00 24.37 O +ATOM 1303 CB PHE A 173 2.008 -16.091 -2.843 1.00 20.82 C +ATOM 1304 CG PHE A 173 1.293 -15.919 -4.131 1.00 20.10 C +ATOM 1305 CD1 PHE A 173 0.235 -15.028 -4.227 1.00 18.75 C +ATOM 1306 CD2 PHE A 173 1.783 -16.502 -5.283 1.00 17.92 C +ATOM 1307 CE1 PHE A 173 -0.309 -14.708 -5.453 1.00 20.85 C +ATOM 1308 CE2 PHE A 173 1.245 -16.186 -6.519 1.00 17.35 C +ATOM 1309 CZ PHE A 173 0.204 -15.286 -6.607 1.00 20.04 C +ATOM 1310 N LYS A 174 2.624 -15.143 -0.039 1.00 22.87 N +ATOM 1311 CA LYS A 174 3.145 -15.557 1.254 1.00 22.91 C +ATOM 1312 C LYS A 174 2.012 -16.056 2.120 1.00 21.73 C +ATOM 1313 O LYS A 174 0.853 -15.768 1.840 1.00 23.25 O +ATOM 1314 CB LYS A 174 3.915 -14.403 1.936 1.00 21.75 C +ATOM 1315 CG LYS A 174 3.063 -13.384 2.668 1.00 25.27 C +ATOM 1316 CD LYS A 174 3.915 -12.299 3.318 1.00 24.70 C +ATOM 1317 CE LYS A 174 3.009 -11.235 3.965 1.00 30.24 C +ATOM 1318 NZ LYS A 174 3.507 -9.818 3.829 1.00 33.87 N +ATOM 1319 N ALA A 175 2.340 -16.939 3.060 1.00 22.71 N +ATOM 1320 CA ALA A 175 1.354 -17.571 3.936 1.00 20.24 C +ATOM 1321 C ALA A 175 1.416 -16.894 5.278 1.00 18.39 C +ATOM 1322 O ALA A 175 2.477 -16.475 5.700 1.00 19.35 O +ATOM 1323 CB ALA A 175 1.686 -19.045 4.104 1.00 23.55 C +ATOM 1324 N VAL A 176 0.334 -16.933 6.031 1.00 20.69 N +ATOM 1325 CA VAL A 176 0.346 -16.288 7.330 1.00 19.57 C +ATOM 1326 C VAL A 176 -0.416 -17.092 8.375 1.00 22.08 C +ATOM 1327 O VAL A 176 -1.416 -17.738 8.062 1.00 20.76 O +ATOM 1328 CB VAL A 176 -0.235 -14.833 7.242 1.00 24.51 C +ATOM 1329 CG1 VAL A 176 0.797 -13.880 6.623 1.00 23.94 C +ATOM 1330 CG2 VAL A 176 -1.486 -14.810 6.392 1.00 22.12 C +ATOM 1331 N GLY A 177 0.036 -17.000 9.628 1.00 26.64 N +ATOM 1332 CA GLY A 177 -0.618 -17.687 10.735 1.00 28.51 C +ATOM 1333 C GLY A 177 0.000 -19.058 10.801 1.00 28.37 C +ATOM 1334 O GLY A 177 1.126 -19.216 10.361 1.00 26.89 O +ATOM 1335 N ASP A 178 -0.679 -20.031 11.390 1.00 27.95 N +ATOM 1336 CA ASP A 178 -0.413 -21.413 11.012 1.00 32.59 C +ATOM 1337 C ASP A 178 -1.728 -22.203 11.009 1.00 27.97 C +ATOM 1338 O ASP A 178 -2.797 -21.612 10.954 1.00 28.85 O +ATOM 1339 CB ASP A 178 0.667 -22.045 11.910 1.00 38.18 C +ATOM 1340 CG ASP A 178 1.431 -23.195 11.208 1.00 45.03 C +ATOM 1341 OD1 ASP A 178 0.812 -24.258 10.931 1.00 44.45 O +ATOM 1342 OD2 ASP A 178 2.678 -23.110 10.999 1.00 48.32 O +ATOM 1343 N SER A 179 -1.647 -23.524 11.057 1.00 27.25 N +ATOM 1344 CA SER A 179 -2.701 -24.393 10.560 1.00 25.01 C +ATOM 1345 C SER A 179 -3.989 -24.216 11.320 1.00 22.01 C +ATOM 1346 O SER A 179 -3.989 -24.234 12.539 1.00 30.49 O +ATOM 1347 CB SER A 179 -2.240 -25.859 10.636 1.00 24.96 C +ATOM 1348 OG SER A 179 -1.213 -26.104 9.678 1.00 26.40 O +ATOM 1349 N LEU A 180 -5.099 -24.127 10.605 1.00 22.24 N +ATOM 1350 CA LEU A 180 -6.413 -24.025 11.227 1.00 20.67 C +ATOM 1351 C LEU A 180 -7.030 -25.384 11.068 1.00 18.66 C +ATOM 1352 O LEU A 180 -6.635 -26.115 10.172 1.00 21.21 O +ATOM 1353 CB LEU A 180 -7.266 -23.006 10.483 1.00 25.04 C +ATOM 1354 CG LEU A 180 -7.083 -21.512 10.778 1.00 28.42 C +ATOM 1355 CD1 LEU A 180 -5.929 -21.302 11.754 1.00 34.62 C +ATOM 1356 CD2 LEU A 180 -6.850 -20.743 9.477 1.00 23.44 C +ATOM 1357 N GLU A 181 -7.910 -25.767 11.986 1.00 20.91 N +ATOM 1358 CA GLU A 181 -8.637 -27.033 11.866 1.00 27.39 C +ATOM 1359 C GLU A 181 -7.658 -28.202 11.706 1.00 25.97 C +ATOM 1360 O GLU A 181 -7.895 -29.130 10.934 1.00 20.69 O +ATOM 1361 CB GLU A 181 -9.563 -26.956 10.640 1.00 29.58 C +ATOM 1362 CG GLU A 181 -10.874 -27.724 10.736 1.00 38.15 C +ATOM 1363 CD GLU A 181 -11.627 -27.457 12.023 1.00 41.90 C +ATOM 1364 OE1 GLU A 181 -11.693 -26.270 12.434 1.00 37.30 O +ATOM 1365 OE2 GLU A 181 -12.137 -28.448 12.623 1.00 46.09 O +ATOM 1366 N ALA A 182 -6.489 -28.050 12.316 1.00 22.01 N +ATOM 1367 CA ALA A 182 -5.377 -28.947 12.093 1.00 22.18 C +ATOM 1368 C ALA A 182 -5.735 -30.380 12.429 1.00 23.31 C +ATOM 1369 O ALA A 182 -6.397 -30.626 13.434 1.00 19.20 O +ATOM 1370 CB ALA A 182 -4.205 -28.506 12.913 1.00 19.12 C +ATOM 1371 N GLN A 183 -5.351 -31.302 11.534 1.00 25.10 N +ATOM 1372 CA GLN A 183 -5.388 -32.753 11.766 1.00 25.20 C +ATOM 1373 C GLN A 183 -3.990 -33.253 11.560 1.00 21.69 C +ATOM 1374 O GLN A 183 -3.163 -32.514 11.045 1.00 19.38 O +ATOM 1375 CB GLN A 183 -6.263 -33.464 10.745 1.00 30.17 C +ATOM 1376 CG GLN A 183 -6.623 -32.639 9.541 1.00 36.15 C +ATOM 1377 CD GLN A 183 -8.116 -32.609 9.353 1.00 39.02 C +ATOM 1378 OE1 GLN A 183 -8.765 -33.643 9.510 1.00 39.56 O +ATOM 1379 NE2 GLN A 183 -8.691 -31.410 9.230 1.00 44.82 N +ATOM 1380 N GLN A 184 -3.805 -34.557 11.699 1.00 17.81 N +ATOM 1381 CA GLN A 184 -2.467 -35.138 11.685 1.00 20.14 C +ATOM 1382 C GLN A 184 -2.438 -36.272 10.693 1.00 16.93 C +ATOM 1383 O GLN A 184 -3.423 -37.005 10.579 1.00 18.62 O +ATOM 1384 CB GLN A 184 -2.108 -35.709 13.063 1.00 22.66 C +ATOM 1385 CG GLN A 184 -1.913 -34.698 14.178 1.00 19.68 C +ATOM 1386 CD GLN A 184 -0.475 -34.277 14.320 1.00 16.46 C +ATOM 1387 OE1 GLN A 184 0.429 -34.943 13.829 1.00 20.89 O +ATOM 1388 NE2 GLN A 184 -0.259 -33.122 14.919 1.00 20.93 N +ATOM 1389 N TYR A 185 -1.285 -36.476 10.061 1.00 13.44 N +ATOM 1390 CA TYR A 185 -1.046 -37.649 9.222 1.00 12.11 C +ATOM 1391 C TYR A 185 -0.483 -38.764 10.073 1.00 10.54 C +ATOM 1392 O TYR A 185 0.209 -38.515 11.054 1.00 11.79 O +ATOM 1393 CB TYR A 185 -0.042 -37.336 8.117 1.00 14.15 C +ATOM 1394 CG TYR A 185 -0.560 -36.495 6.970 1.00 13.56 C +ATOM 1395 CD1 TYR A 185 -1.870 -36.057 6.933 1.00 17.08 C +ATOM 1396 CD2 TYR A 185 0.278 -36.128 5.925 1.00 15.65 C +ATOM 1397 CE1 TYR A 185 -2.333 -35.269 5.895 1.00 20.51 C +ATOM 1398 CE2 TYR A 185 -0.173 -35.350 4.881 1.00 15.57 C +ATOM 1399 CZ TYR A 185 -1.477 -34.922 4.869 1.00 18.89 C +ATOM 1400 OH TYR A 185 -1.953 -34.200 3.804 1.00 21.41 O +ATOM 1401 N GLY A 186 -0.667 -39.993 9.617 1.00 12.24 N +ATOM 1402 CA GLY A 186 -0.217 -41.138 10.387 1.00 7.55 C +ATOM 1403 C GLY A 186 0.191 -42.315 9.526 1.00 10.43 C +ATOM 1404 O GLY A 186 -0.293 -42.479 8.403 1.00 11.89 O +ATOM 1405 N ILE A 187 1.165 -43.074 10.005 1.00 11.15 N +ATOM 1406 CA ILE A 187 1.584 -44.284 9.327 1.00 14.88 C +ATOM 1407 C ILE A 187 0.610 -45.395 9.722 1.00 14.24 C +ATOM 1408 O ILE A 187 0.388 -45.637 10.915 1.00 13.07 O +ATOM 1409 CB ILE A 187 3.032 -44.686 9.726 1.00 11.75 C +ATOM 1410 CG1 ILE A 187 4.012 -43.561 9.386 1.00 14.89 C +ATOM 1411 CG2 ILE A 187 3.452 -45.918 8.975 1.00 10.26 C +ATOM 1412 CD1 ILE A 187 5.202 -43.487 10.321 1.00 11.83 C +ATOM 1413 N ALA A 188 0.058 -46.071 8.718 1.00 11.50 N +ATOM 1414 CA ALA A 188 -0.966 -47.081 8.922 1.00 10.37 C +ATOM 1415 C ALA A 188 -0.384 -48.500 8.950 1.00 10.24 C +ATOM 1416 O ALA A 188 0.436 -48.862 8.108 1.00 8.37 O +ATOM 1417 CB ALA A 188 -2.000 -46.958 7.842 1.00 4.10 C +ATOM 1418 N PHE A 189 -0.742 -49.256 9.986 1.00 15.88 N +ATOM 1419 CA PHE A 189 -0.376 -50.666 10.140 1.00 9.10 C +ATOM 1420 C PHE A 189 -1.661 -51.497 10.208 1.00 14.20 C +ATOM 1421 O PHE A 189 -2.705 -51.003 10.643 1.00 12.62 O +ATOM 1422 CB PHE A 189 0.418 -50.874 11.430 1.00 9.86 C +ATOM 1423 CG PHE A 189 1.598 -49.967 11.571 1.00 8.39 C +ATOM 1424 CD1 PHE A 189 2.844 -50.352 11.106 1.00 8.84 C +ATOM 1425 CD2 PHE A 189 1.477 -48.750 12.218 1.00 8.05 C +ATOM 1426 CE1 PHE A 189 3.938 -49.542 11.291 1.00 6.21 C +ATOM 1427 CE2 PHE A 189 2.573 -47.944 12.412 1.00 8.42 C +ATOM 1428 CZ PHE A 189 3.798 -48.337 11.951 1.00 8.98 C +ATOM 1429 N PRO A 190 -1.601 -52.774 9.803 1.00 10.76 N +ATOM 1430 CA PRO A 190 -2.662 -53.706 10.161 1.00 13.21 C +ATOM 1431 C PRO A 190 -2.813 -53.843 11.669 1.00 17.50 C +ATOM 1432 O PRO A 190 -1.870 -53.599 12.416 1.00 21.68 O +ATOM 1433 CB PRO A 190 -2.213 -55.007 9.517 1.00 13.12 C +ATOM 1434 CG PRO A 190 -1.326 -54.583 8.438 1.00 13.58 C +ATOM 1435 CD PRO A 190 -0.578 -53.438 8.995 1.00 10.33 C +ATOM 1436 N LYS A 191 -4.000 -54.225 12.126 1.00 18.96 N +ATOM 1437 CA LYS A 191 -4.205 -54.397 13.557 1.00 20.66 C +ATOM 1438 C LYS A 191 -3.395 -55.581 14.050 1.00 22.20 C +ATOM 1439 O LYS A 191 -2.976 -56.443 13.262 1.00 17.74 O +ATOM 1440 CB LYS A 191 -5.687 -54.590 13.898 1.00 22.44 C +ATOM 1441 CG LYS A 191 -6.555 -53.356 13.632 1.00 22.50 C +ATOM 1442 CD LYS A 191 -7.776 -53.325 14.525 1.00 22.67 C +ATOM 1443 CE LYS A 191 -8.278 -51.915 14.715 1.00 25.53 C +ATOM 1444 NZ LYS A 191 -7.333 -51.015 15.448 1.00 28.42 N +ATOM 1445 N GLY A 192 -3.089 -55.540 15.343 1.00 21.90 N +ATOM 1446 CA GLY A 192 -2.252 -56.548 15.935 1.00 22.23 C +ATOM 1447 C GLY A 192 -0.793 -56.355 15.592 1.00 23.86 C +ATOM 1448 O GLY A 192 0.003 -57.254 15.821 1.00 25.25 O +ATOM 1449 N SER A 193 -0.410 -55.193 15.081 1.00 22.83 N +ATOM 1450 CA SER A 193 0.998 -54.957 14.739 1.00 28.31 C +ATOM 1451 C SER A 193 1.725 -54.127 15.800 1.00 26.74 C +ATOM 1452 O SER A 193 2.602 -53.311 15.470 1.00 23.24 O +ATOM 1453 CB SER A 193 1.103 -54.273 13.364 1.00 25.83 C +ATOM 1454 OG SER A 193 0.664 -55.140 12.332 1.00 26.69 O +ATOM 1455 N ASP A 194 1.486 -54.481 17.062 1.00 23.82 N +ATOM 1456 CA ASP A 194 1.776 -53.632 18.218 1.00 23.44 C +ATOM 1457 C ASP A 194 3.278 -53.370 18.418 1.00 27.59 C +ATOM 1458 O ASP A 194 3.711 -52.240 18.651 1.00 28.85 O +ATOM 1459 CB ASP A 194 1.175 -54.273 19.486 1.00 30.91 C +ATOM 1460 CG ASP A 194 -0.345 -54.068 19.605 1.00 32.24 C +ATOM 1461 OD1 ASP A 194 -1.034 -53.912 18.573 1.00 33.50 O +ATOM 1462 OD2 ASP A 194 -0.862 -54.017 20.745 1.00 32.50 O +ATOM 1463 N GLU A 195 4.082 -54.408 18.247 1.00 26.79 N +ATOM 1464 CA GLU A 195 5.523 -54.310 18.419 1.00 21.51 C +ATOM 1465 C GLU A 195 6.176 -53.318 17.446 1.00 20.07 C +ATOM 1466 O GLU A 195 7.086 -52.573 17.837 1.00 17.10 O +ATOM 1467 CB GLU A 195 6.131 -55.699 18.218 1.00 29.74 C +ATOM 1468 CG GLU A 195 6.908 -56.249 19.418 1.00 39.93 C +ATOM 1469 CD GLU A 195 8.102 -57.108 18.984 1.00 44.27 C +ATOM 1470 OE1 GLU A 195 8.625 -56.836 17.864 1.00 45.92 O +ATOM 1471 OE2 GLU A 195 8.578 -57.967 19.782 1.00 44.70 O +ATOM 1472 N LEU A 196 5.903 -53.520 16.153 1.00 19.49 N +ATOM 1473 CA LEU A 196 6.477 -52.731 15.049 1.00 19.02 C +ATOM 1474 C LEU A 196 6.021 -51.283 15.163 1.00 16.57 C +ATOM 1475 O LEU A 196 6.802 -50.350 14.959 1.00 12.14 O +ATOM 1476 CB LEU A 196 5.984 -53.289 13.713 1.00 18.10 C +ATOM 1477 CG LEU A 196 6.786 -53.227 12.405 1.00 20.16 C +ATOM 1478 CD1 LEU A 196 5.800 -53.007 11.272 1.00 16.59 C +ATOM 1479 CD2 LEU A 196 7.827 -52.146 12.409 1.00 18.70 C +ATOM 1480 N ARG A 197 4.724 -51.112 15.394 1.00 16.73 N +ATOM 1481 CA ARG A 197 4.152 -49.797 15.628 1.00 14.47 C +ATOM 1482 C ARG A 197 4.953 -49.110 16.725 1.00 19.81 C +ATOM 1483 O ARG A 197 5.553 -48.064 16.499 1.00 22.64 O +ATOM 1484 CB ARG A 197 2.698 -49.927 16.040 1.00 6.79 C +ATOM 1485 CG ARG A 197 1.940 -48.660 15.868 1.00 17.59 C +ATOM 1486 CD ARG A 197 1.102 -48.355 17.087 1.00 25.40 C +ATOM 1487 NE ARG A 197 -0.017 -49.286 17.219 1.00 32.43 N +ATOM 1488 CZ ARG A 197 -0.163 -50.138 18.228 1.00 31.74 C +ATOM 1489 NH1 ARG A 197 0.688 -50.109 19.254 1.00 33.73 N +ATOM 1490 NH2 ARG A 197 -1.148 -51.028 18.200 1.00 31.26 N +ATOM 1491 N ASP A 198 5.212 -49.849 17.790 1.00 17.92 N +ATOM 1492 CA ASP A 198 5.966 -49.319 18.899 1.00 17.93 C +ATOM 1493 C ASP A 198 7.391 -48.970 18.513 1.00 18.61 C +ATOM 1494 O ASP A 198 7.990 -48.044 19.082 1.00 17.15 O +ATOM 1495 CB ASP A 198 5.964 -50.326 20.036 1.00 23.65 C +ATOM 1496 CG ASP A 198 4.732 -50.203 20.926 1.00 31.94 C +ATOM 1497 OD1 ASP A 198 3.604 -49.945 20.417 1.00 34.35 O +ATOM 1498 OD2 ASP A 198 4.893 -50.403 22.157 1.00 36.55 O +ATOM 1499 N LYS A 199 7.945 -49.717 17.562 1.00 14.15 N +ATOM 1500 CA LYS A 199 9.329 -49.506 17.140 1.00 11.69 C +ATOM 1501 C LYS A 199 9.454 -48.277 16.277 1.00 13.41 C +ATOM 1502 O LYS A 199 10.449 -47.565 16.368 1.00 10.28 O +ATOM 1503 CB LYS A 199 9.851 -50.697 16.348 1.00 13.67 C +ATOM 1504 CG LYS A 199 10.561 -51.738 17.202 1.00 24.87 C +ATOM 1505 CD LYS A 199 10.772 -53.062 16.438 1.00 32.20 C +ATOM 1506 CE LYS A 199 10.440 -54.282 17.309 1.00 36.89 C +ATOM 1507 NZ LYS A 199 9.028 -54.267 17.849 1.00 38.87 N +ATOM 1508 N VAL A 200 8.502 -48.113 15.353 1.00 12.19 N +ATOM 1509 CA VAL A 200 8.447 -46.948 14.460 1.00 8.94 C +ATOM 1510 C VAL A 200 8.251 -45.655 15.256 1.00 7.04 C +ATOM 1511 O VAL A 200 9.061 -44.751 15.164 1.00 12.90 O +ATOM 1512 CB VAL A 200 7.318 -47.087 13.428 1.00 6.78 C +ATOM 1513 CG1 VAL A 200 7.330 -45.932 12.502 1.00 7.91 C +ATOM 1514 CG2 VAL A 200 7.492 -48.341 12.652 1.00 5.66 C +ATOM 1515 N ASN A 201 7.273 -45.653 16.152 1.00 8.10 N +ATOM 1516 CA ASN A 201 7.026 -44.535 17.055 1.00 8.34 C +ATOM 1517 C ASN A 201 8.302 -44.143 17.727 1.00 11.25 C +ATOM 1518 O ASN A 201 8.606 -42.968 17.854 1.00 10.63 O +ATOM 1519 CB ASN A 201 6.062 -44.941 18.154 1.00 13.39 C +ATOM 1520 CG ASN A 201 4.637 -44.849 17.735 1.00 15.28 C +ATOM 1521 OD1 ASN A 201 4.337 -44.514 16.595 1.00 20.80 O +ATOM 1522 ND2 ASN A 201 3.739 -45.142 18.652 1.00 15.37 N +ATOM 1523 N GLY A 202 8.935 -45.130 18.342 1.00 13.36 N +ATOM 1524 CA GLY A 202 10.192 -44.899 19.014 1.00 8.33 C +ATOM 1525 C GLY A 202 11.173 -44.172 18.132 1.00 11.65 C +ATOM 1526 O GLY A 202 11.766 -43.195 18.578 1.00 19.42 O +ATOM 1527 N ALA A 203 11.297 -44.584 16.870 1.00 12.06 N +ATOM 1528 CA ALA A 203 12.267 -43.969 15.955 1.00 13.68 C +ATOM 1529 C ALA A 203 11.866 -42.552 15.544 1.00 12.85 C +ATOM 1530 O ALA A 203 12.717 -41.717 15.246 1.00 11.41 O +ATOM 1531 CB ALA A 203 12.452 -44.826 14.731 1.00 5.87 C +ATOM 1532 N LEU A 204 10.563 -42.303 15.496 1.00 13.66 N +ATOM 1533 CA LEU A 204 10.019 -41.000 15.136 1.00 14.37 C +ATOM 1534 C LEU A 204 10.485 -39.991 16.171 1.00 16.07 C +ATOM 1535 O LEU A 204 10.878 -38.885 15.826 1.00 14.33 O +ATOM 1536 CB LEU A 204 8.494 -41.080 15.134 1.00 17.37 C +ATOM 1537 CG LEU A 204 7.541 -40.194 14.340 1.00 16.28 C +ATOM 1538 CD1 LEU A 204 8.207 -39.592 13.134 1.00 17.89 C +ATOM 1539 CD2 LEU A 204 6.369 -41.077 13.938 1.00 14.34 C +ATOM 1540 N LYS A 205 10.499 -40.405 17.436 1.00 15.31 N +ATOM 1541 CA LYS A 205 11.031 -39.584 18.512 1.00 9.80 C +ATOM 1542 C LYS A 205 12.486 -39.212 18.271 1.00 12.24 C +ATOM 1543 O LYS A 205 12.822 -38.040 18.218 1.00 14.44 O +ATOM 1544 CB LYS A 205 10.882 -40.316 19.844 1.00 16.16 C +ATOM 1545 CG LYS A 205 9.435 -40.426 20.323 1.00 19.53 C +ATOM 1546 CD LYS A 205 9.310 -41.499 21.405 1.00 27.88 C +ATOM 1547 CE LYS A 205 7.976 -41.432 22.154 1.00 30.46 C +ATOM 1548 NZ LYS A 205 8.028 -40.426 23.264 1.00 38.17 N +ATOM 1549 N THR A 206 13.320 -40.192 17.957 1.00 12.45 N +ATOM 1550 CA THR A 206 14.737 -39.941 17.728 1.00 11.64 C +ATOM 1551 C THR A 206 14.973 -38.892 16.638 1.00 15.41 C +ATOM 1552 O THR A 206 15.780 -37.980 16.811 1.00 17.38 O +ATOM 1553 CB THR A 206 15.459 -41.245 17.350 1.00 11.67 C +ATOM 1554 OG1 THR A 206 15.389 -42.159 18.450 1.00 14.63 O +ATOM 1555 CG2 THR A 206 16.908 -40.983 16.981 1.00 7.14 C +ATOM 1556 N LEU A 207 14.234 -39.001 15.539 1.00 14.54 N +ATOM 1557 CA LEU A 207 14.341 -38.078 14.414 1.00 9.43 C +ATOM 1558 C LEU A 207 13.906 -36.670 14.789 1.00 10.35 C +ATOM 1559 O LEU A 207 14.435 -35.713 14.271 1.00 14.79 O +ATOM 1560 CB LEU A 207 13.490 -38.574 13.250 1.00 11.93 C +ATOM 1561 CG LEU A 207 14.167 -39.316 12.089 1.00 15.17 C +ATOM 1562 CD1 LEU A 207 15.137 -40.363 12.566 1.00 12.38 C +ATOM 1563 CD2 LEU A 207 13.091 -39.939 11.237 1.00 13.68 C +ATOM 1564 N ARG A 208 12.938 -36.526 15.682 1.00 11.11 N +ATOM 1565 CA ARG A 208 12.603 -35.194 16.173 1.00 13.08 C +ATOM 1566 C ARG A 208 13.719 -34.622 17.057 1.00 13.20 C +ATOM 1567 O ARG A 208 13.983 -33.416 17.019 1.00 17.95 O +ATOM 1568 CB ARG A 208 11.295 -35.214 16.967 1.00 9.12 C +ATOM 1569 CG ARG A 208 10.122 -35.760 16.221 1.00 9.44 C +ATOM 1570 CD ARG A 208 8.869 -35.090 16.683 1.00 13.70 C +ATOM 1571 NE ARG A 208 7.738 -35.961 16.446 1.00 18.17 N +ATOM 1572 CZ ARG A 208 6.779 -35.730 15.549 1.00 22.93 C +ATOM 1573 NH1 ARG A 208 6.727 -34.566 14.909 1.00 18.93 N +ATOM 1574 NH2 ARG A 208 5.847 -36.657 15.329 1.00 22.74 N +ATOM 1575 N GLU A 209 14.385 -35.483 17.821 1.00 6.59 N +ATOM 1576 CA GLU A 209 15.253 -35.050 18.910 1.00 11.79 C +ATOM 1577 C GLU A 209 16.645 -34.643 18.411 1.00 14.44 C +ATOM 1578 O GLU A 209 17.394 -33.941 19.103 1.00 11.79 O +ATOM 1579 CB GLU A 209 15.402 -36.178 19.951 1.00 17.03 C +ATOM 1580 CG GLU A 209 14.142 -36.513 20.773 1.00 18.40 C +ATOM 1581 CD GLU A 209 14.312 -37.701 21.716 1.00 14.89 C +ATOM 1582 OE1 GLU A 209 15.286 -38.451 21.593 1.00 19.74 O +ATOM 1583 OE2 GLU A 209 13.435 -37.934 22.555 1.00 18.71 O +ATOM 1584 N ASN A 210 17.042 -35.209 17.277 1.00 9.37 N +ATOM 1585 CA ASN A 210 18.351 -34.933 16.724 1.00 9.29 C +ATOM 1586 C ASN A 210 18.253 -33.972 15.573 1.00 8.21 C +ATOM 1587 O ASN A 210 19.253 -33.596 14.980 1.00 13.51 O +ATOM 1588 CB ASN A 210 19.079 -36.239 16.318 1.00 14.49 C +ATOM 1589 CG ASN A 210 18.456 -36.958 15.126 1.00 16.46 C +ATOM 1590 OD1 ASN A 210 17.795 -36.360 14.285 1.00 18.20 O +ATOM 1591 ND2 ASN A 210 18.798 -38.223 14.984 1.00 17.45 N +ATOM 1592 N GLY A 211 17.035 -33.586 15.252 1.00 6.42 N +ATOM 1593 CA GLY A 211 16.838 -32.560 14.260 1.00 8.21 C +ATOM 1594 C GLY A 211 16.665 -33.013 12.820 1.00 12.88 C +ATOM 1595 O GLY A 211 16.550 -32.160 11.956 1.00 10.19 O +ATOM 1596 N THR A 212 16.589 -34.322 12.567 1.00 10.16 N +ATOM 1597 CA THR A 212 16.439 -34.847 11.212 1.00 12.48 C +ATOM 1598 C THR A 212 15.031 -34.600 10.655 1.00 13.75 C +ATOM 1599 O THR A 212 14.870 -34.419 9.458 1.00 18.31 O +ATOM 1600 CB THR A 212 16.758 -36.371 11.178 1.00 14.78 C +ATOM 1601 OG1 THR A 212 18.060 -36.598 11.726 1.00 11.58 O +ATOM 1602 CG2 THR A 212 16.735 -36.921 9.764 1.00 12.82 C +ATOM 1603 N TYR A 213 14.015 -34.564 11.518 1.00 8.33 N +ATOM 1604 CA TYR A 213 12.643 -34.257 11.094 1.00 11.17 C +ATOM 1605 C TYR A 213 12.557 -32.836 10.528 1.00 13.19 C +ATOM 1606 O TYR A 213 11.992 -32.608 9.463 1.00 16.42 O +ATOM 1607 CB TYR A 213 11.661 -34.398 12.277 1.00 13.05 C +ATOM 1608 CG TYR A 213 10.214 -34.073 11.937 1.00 11.86 C +ATOM 1609 CD1 TYR A 213 9.749 -32.751 11.945 1.00 9.05 C +ATOM 1610 CD2 TYR A 213 9.311 -35.083 11.581 1.00 8.78 C +ATOM 1611 CE1 TYR A 213 8.426 -32.444 11.612 1.00 10.03 C +ATOM 1612 CE2 TYR A 213 7.987 -34.781 11.230 1.00 7.00 C +ATOM 1613 CZ TYR A 213 7.550 -33.459 11.249 1.00 11.06 C +ATOM 1614 OH TYR A 213 6.246 -33.148 10.882 1.00 13.28 O +ATOM 1615 N ASN A 214 13.181 -31.903 11.232 1.00 15.37 N +ATOM 1616 CA ASN A 214 13.215 -30.499 10.850 1.00 16.57 C +ATOM 1617 C ASN A 214 13.804 -30.236 9.472 1.00 14.07 C +ATOM 1618 O ASN A 214 13.237 -29.517 8.668 1.00 13.72 O +ATOM 1619 CB ASN A 214 14.001 -29.714 11.888 1.00 14.76 C +ATOM 1620 CG ASN A 214 13.719 -28.270 11.813 1.00 23.02 C +ATOM 1621 OD1 ASN A 214 14.252 -27.573 10.957 1.00 26.81 O +ATOM 1622 ND2 ASN A 214 12.757 -27.825 12.592 1.00 28.74 N +ATOM 1623 N GLU A 215 14.917 -30.874 9.177 1.00 13.79 N +ATOM 1624 CA GLU A 215 15.589 -30.628 7.930 1.00 14.00 C +ATOM 1625 C GLU A 215 14.873 -31.258 6.753 1.00 13.71 C +ATOM 1626 O GLU A 215 14.712 -30.616 5.729 1.00 17.17 O +ATOM 1627 CB GLU A 215 17.033 -31.090 8.036 1.00 16.34 C +ATOM 1628 CG GLU A 215 17.810 -30.289 9.096 1.00 23.33 C +ATOM 1629 CD GLU A 215 18.039 -28.804 8.719 1.00 25.69 C +ATOM 1630 OE1 GLU A 215 18.599 -28.535 7.632 1.00 32.36 O +ATOM 1631 OE2 GLU A 215 17.732 -27.896 9.528 1.00 27.84 O +ATOM 1632 N ILE A 216 14.266 -32.419 6.965 1.00 14.20 N +ATOM 1633 CA ILE A 216 13.415 -33.035 5.953 1.00 10.03 C +ATOM 1634 C ILE A 216 12.190 -32.165 5.664 1.00 13.11 C +ATOM 1635 O ILE A 216 11.742 -32.074 4.526 1.00 9.46 O +ATOM 1636 CB ILE A 216 12.930 -34.430 6.401 1.00 11.27 C +ATOM 1637 CG1 ILE A 216 14.097 -35.407 6.485 1.00 6.67 C +ATOM 1638 CG2 ILE A 216 11.992 -34.999 5.390 1.00 11.31 C +ATOM 1639 CD1 ILE A 216 13.721 -36.747 7.065 1.00 9.67 C +ATOM 1640 N TYR A 217 11.619 -31.566 6.701 1.00 11.29 N +ATOM 1641 CA TYR A 217 10.496 -30.652 6.535 1.00 11.35 C +ATOM 1642 C TYR A 217 10.874 -29.398 5.763 1.00 15.00 C +ATOM 1643 O TYR A 217 10.085 -28.929 4.947 1.00 14.95 O +ATOM 1644 CB TYR A 217 9.916 -30.256 7.887 1.00 11.61 C +ATOM 1645 CG TYR A 217 8.525 -29.655 7.817 1.00 12.22 C +ATOM 1646 CD1 TYR A 217 8.321 -28.367 7.333 1.00 12.18 C +ATOM 1647 CD2 TYR A 217 7.412 -30.361 8.286 1.00 9.26 C +ATOM 1648 CE1 TYR A 217 7.053 -27.800 7.316 1.00 12.42 C +ATOM 1649 CE2 TYR A 217 6.152 -29.792 8.290 1.00 8.61 C +ATOM 1650 CZ TYR A 217 5.981 -28.514 7.799 1.00 10.88 C +ATOM 1651 OH TYR A 217 4.734 -27.949 7.776 1.00 12.03 O +ATOM 1652 N LYS A 218 12.043 -28.828 6.054 1.00 17.14 N +ATOM 1653 CA LYS A 218 12.546 -27.656 5.329 1.00 17.51 C +ATOM 1654 C LYS A 218 12.609 -27.916 3.836 1.00 16.69 C +ATOM 1655 O LYS A 218 12.062 -27.155 3.043 1.00 19.55 O +ATOM 1656 CB LYS A 218 13.955 -27.285 5.775 1.00 26.10 C +ATOM 1657 CG LYS A 218 14.173 -27.222 7.265 1.00 33.09 C +ATOM 1658 CD LYS A 218 13.647 -25.924 7.843 1.00 35.55 C +ATOM 1659 CE LYS A 218 14.754 -25.148 8.576 1.00 37.20 C +ATOM 1660 NZ LYS A 218 14.874 -25.537 10.016 1.00 35.68 N +ATOM 1661 N LYS A 219 13.347 -28.958 3.473 1.00 10.19 N +ATOM 1662 CA LYS A 219 13.593 -29.348 2.085 1.00 11.31 C +ATOM 1663 C LYS A 219 12.366 -29.321 1.176 1.00 14.86 C +ATOM 1664 O LYS A 219 12.455 -28.887 0.036 1.00 21.72 O +ATOM 1665 CB LYS A 219 14.224 -30.739 2.072 1.00 12.43 C +ATOM 1666 CG LYS A 219 14.368 -31.445 0.730 1.00 11.21 C +ATOM 1667 CD LYS A 219 14.781 -32.874 1.020 1.00 13.33 C +ATOM 1668 CE LYS A 219 15.100 -33.692 -0.202 1.00 19.25 C +ATOM 1669 NZ LYS A 219 15.396 -35.092 0.228 1.00 12.70 N +ATOM 1670 N TRP A 220 11.224 -29.780 1.664 1.00 19.77 N +ATOM 1671 CA TRP A 220 10.035 -29.867 0.828 1.00 18.28 C +ATOM 1672 C TRP A 220 9.030 -28.722 0.975 1.00 17.30 C +ATOM 1673 O TRP A 220 8.317 -28.405 0.018 1.00 22.05 O +ATOM 1674 CB TRP A 220 9.328 -31.190 1.077 1.00 14.53 C +ATOM 1675 CG TRP A 220 10.106 -32.307 0.623 1.00 10.97 C +ATOM 1676 CD1 TRP A 220 10.861 -33.143 1.384 1.00 13.47 C +ATOM 1677 CD2 TRP A 220 10.276 -32.709 -0.715 1.00 11.24 C +ATOM 1678 NE1 TRP A 220 11.477 -34.064 0.596 1.00 9.44 N +ATOM 1679 CE2 TRP A 220 11.140 -33.817 -0.707 1.00 12.93 C +ATOM 1680 CE3 TRP A 220 9.793 -32.232 -1.932 1.00 12.72 C +ATOM 1681 CZ2 TRP A 220 11.529 -34.465 -1.872 1.00 15.72 C +ATOM 1682 CZ3 TRP A 220 10.181 -32.860 -3.086 1.00 16.00 C +ATOM 1683 CH2 TRP A 220 11.042 -33.973 -3.054 1.00 19.58 C +ATOM 1684 N PHE A 221 8.899 -28.194 2.190 1.00 15.11 N +ATOM 1685 CA PHE A 221 7.917 -27.158 2.509 1.00 14.97 C +ATOM 1686 C PHE A 221 8.534 -25.777 2.755 1.00 18.95 C +ATOM 1687 O PHE A 221 7.826 -24.770 2.789 1.00 17.69 O +ATOM 1688 CB PHE A 221 7.128 -27.591 3.724 1.00 13.02 C +ATOM 1689 CG PHE A 221 6.453 -28.894 3.545 1.00 14.28 C +ATOM 1690 CD1 PHE A 221 5.479 -29.053 2.565 1.00 14.64 C +ATOM 1691 CD2 PHE A 221 6.850 -29.999 4.280 1.00 10.05 C +ATOM 1692 CE1 PHE A 221 4.913 -30.304 2.327 1.00 11.70 C +ATOM 1693 CE2 PHE A 221 6.288 -31.241 4.047 1.00 10.36 C +ATOM 1694 CZ PHE A 221 5.321 -31.394 3.074 1.00 8.50 C +ATOM 1695 N GLY A 222 9.822 -25.771 3.107 1.00 23.17 N +ATOM 1696 CA GLY A 222 10.616 -24.556 3.061 1.00 21.84 C +ATOM 1697 C GLY A 222 10.473 -23.673 4.271 1.00 21.48 C +ATOM 1698 O GLY A 222 10.968 -22.566 4.275 1.00 27.33 O +ATOM 1699 N THR A 223 9.703 -24.103 5.250 1.00 26.81 N +ATOM 1700 CA THR A 223 9.627 -23.386 6.508 1.00 32.28 C +ATOM 1701 C THR A 223 9.837 -24.437 7.586 1.00 35.12 C +ATOM 1702 O THR A 223 10.286 -25.561 7.267 1.00 32.11 O +ATOM 1703 CB THR A 223 8.254 -22.738 6.688 1.00 33.48 C +ATOM 1704 OG1 THR A 223 7.796 -22.255 5.417 1.00 38.26 O +ATOM 1705 CG2 THR A 223 8.331 -21.562 7.674 1.00 35.43 C +ATOM 1706 N GLU A 224 9.465 -24.104 8.830 1.00 34.00 N +ATOM 1707 CA GLU A 224 9.665 -24.990 9.976 1.00 33.28 C +ATOM 1708 C GLU A 224 8.406 -25.787 10.322 1.00 33.04 C +ATOM 1709 O GLU A 224 8.561 -26.937 10.804 1.00 29.77 O +ATOM 1710 CB GLU A 224 10.096 -24.171 11.188 1.00 32.88 C +ATOM 1711 CG GLU A 224 11.424 -23.475 11.018 1.00 36.20 C +ATOM 1712 CD GLU A 224 12.446 -23.929 12.044 1.00 38.78 C +ATOM 1713 OE1 GLU A 224 13.065 -25.006 11.835 1.00 38.48 O +ATOM 1714 OE2 GLU A 224 12.565 -23.253 13.101 1.00 40.08 O +TER 1715 GLU A 224 +END diff --git a/bench/main_benchmark/structures/SFB_AL_GLNBP_1GGGA_1WDNA/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_GLNBP_1GGGA_1WDNA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4bf6f1afb96091b7e96561f45d33cb320f5d650a --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_GLNBP_1GGGA_1WDNA/state_b.pdb @@ -0,0 +1,1742 @@ +ATOM 1 N LYS A 4 -2.512 37.179 9.917 1.00 46.69 N +ATOM 2 CA LYS A 4 -3.706 36.874 10.748 1.00 43.68 C +ATOM 3 C LYS A 4 -4.098 35.396 10.664 1.00 38.46 C +ATOM 4 O LYS A 4 -5.133 35.006 11.199 1.00 38.16 O +ATOM 5 CB LYS A 4 -4.884 37.766 10.308 1.00 48.00 C +ATOM 6 CG LYS A 4 -6.096 37.758 11.248 1.00 50.84 C +ATOM 7 CD LYS A 4 -7.377 37.344 10.516 1.00 53.70 C +ATOM 8 CE LYS A 4 -8.305 36.500 11.397 1.00 54.72 C +ATOM 9 NZ LYS A 4 -7.885 35.072 11.497 1.00 56.12 N +ATOM 10 N LEU A 5 -3.296 34.579 9.987 1.00 31.74 N +ATOM 11 CA LEU A 5 -3.528 33.130 10.002 1.00 29.02 C +ATOM 12 C LEU A 5 -3.222 32.631 11.405 1.00 25.24 C +ATOM 13 O LEU A 5 -2.198 33.001 11.959 1.00 26.98 O +ATOM 14 CB LEU A 5 -2.600 32.395 9.023 1.00 28.14 C +ATOM 15 CG LEU A 5 -2.734 32.494 7.498 1.00 27.50 C +ATOM 16 CD1 LEU A 5 -1.906 31.384 6.891 1.00 24.82 C +ATOM 17 CD2 LEU A 5 -4.175 32.368 7.053 1.00 26.34 C +ATOM 18 N VAL A 6 -4.135 31.884 12.012 1.00 22.07 N +ATOM 19 CA VAL A 6 -3.858 31.228 13.282 1.00 23.51 C +ATOM 20 C VAL A 6 -3.525 29.763 12.994 1.00 21.59 C +ATOM 21 O VAL A 6 -4.271 29.080 12.288 1.00 20.96 O +ATOM 22 CB VAL A 6 -5.082 31.288 14.228 1.00 26.14 C +ATOM 23 CG1 VAL A 6 -4.668 30.920 15.657 1.00 27.43 C +ATOM 24 CG2 VAL A 6 -5.696 32.676 14.206 1.00 25.71 C +ATOM 25 N VAL A 7 -2.341 29.328 13.402 1.00 20.49 N +ATOM 26 CA VAL A 7 -1.928 27.954 13.134 1.00 20.79 C +ATOM 27 C VAL A 7 -1.768 27.118 14.410 1.00 20.33 C +ATOM 28 O VAL A 7 -0.996 27.468 15.315 1.00 20.17 O +ATOM 29 CB VAL A 7 -0.640 27.872 12.190 1.00 20.92 C +ATOM 30 CG1 VAL A 7 -0.008 29.233 11.999 1.00 17.84 C +ATOM 31 CG2 VAL A 7 0.380 26.854 12.704 1.00 18.36 C +ATOM 32 N ALA A 8 -2.660 26.134 14.540 1.00 16.72 N +ATOM 33 CA ALA A 8 -2.670 25.221 15.672 1.00 16.59 C +ATOM 34 C ALA A 8 -1.415 24.362 15.677 1.00 15.67 C +ATOM 35 O ALA A 8 -0.954 23.920 14.617 1.00 14.55 O +ATOM 36 CB ALA A 8 -3.898 24.346 15.611 1.00 17.00 C +ATOM 37 N THR A 9 -0.782 24.256 16.840 1.00 18.02 N +ATOM 38 CA THR A 9 0.371 23.357 17.002 1.00 20.07 C +ATOM 39 C THR A 9 0.139 22.476 18.230 1.00 18.79 C +ATOM 40 O THR A 9 -0.858 22.648 18.948 1.00 17.67 O +ATOM 41 CB THR A 9 1.735 24.142 17.156 1.00 21.67 C +ATOM 42 OG1 THR A 9 1.686 25.008 18.301 1.00 21.02 O +ATOM 43 CG2 THR A 9 2.011 25.002 15.922 1.00 24.55 C +ATOM 44 N ASP A 10 1.060 21.555 18.488 1.00 20.55 N +ATOM 45 CA ASP A 10 0.949 20.682 19.648 1.00 19.08 C +ATOM 46 C ASP A 10 1.456 21.398 20.905 1.00 19.97 C +ATOM 47 O ASP A 10 2.415 22.163 20.850 1.00 16.30 O +ATOM 48 CB ASP A 10 1.752 19.386 19.430 1.00 21.77 C +ATOM 49 CG ASP A 10 1.149 18.193 20.167 1.00 20.48 C +ATOM 50 OD1 ASP A 10 1.364 18.076 21.393 1.00 20.16 O +ATOM 51 OD2 ASP A 10 0.397 17.407 19.540 1.00 23.61 O +ATOM 52 N THR A 11 0.723 21.230 22.001 1.00 20.07 N +ATOM 53 CA THR A 11 1.203 21.552 23.341 1.00 18.83 C +ATOM 54 C THR A 11 2.648 21.104 23.565 1.00 18.20 C +ATOM 55 O THR A 11 3.480 21.868 24.038 1.00 17.54 O +ATOM 56 CB THR A 11 0.300 20.882 24.383 1.00 18.32 C +ATOM 57 OG1 THR A 11 -1.067 21.147 24.049 1.00 17.87 O +ATOM 58 CG2 THR A 11 0.572 21.416 25.764 1.00 20.29 C +ATOM 59 N ALA A 12 2.958 19.870 23.201 1.00 18.79 N +ATOM 60 CA ALA A 12 4.293 19.348 23.440 1.00 19.48 C +ATOM 61 C ALA A 12 4.505 18.110 22.613 1.00 19.92 C +ATOM 62 O ALA A 12 4.071 17.015 23.002 1.00 23.57 O +ATOM 63 CB ALA A 12 4.474 19.015 24.914 1.00 19.12 C +ATOM 64 N PHE A 13 5.322 18.248 21.577 1.00 20.52 N +ATOM 65 CA PHE A 13 5.703 17.114 20.743 1.00 18.53 C +ATOM 66 C PHE A 13 7.165 17.304 20.282 1.00 18.09 C +ATOM 67 O PHE A 13 7.464 17.702 19.149 1.00 11.31 O +ATOM 68 CB PHE A 13 4.699 16.995 19.567 1.00 17.52 C +ATOM 69 CG PHE A 13 4.923 15.806 18.675 1.00 13.91 C +ATOM 70 CD1 PHE A 13 5.089 14.544 19.204 1.00 13.22 C +ATOM 71 CD2 PHE A 13 5.113 15.986 17.324 1.00 11.65 C +ATOM 72 CE1 PHE A 13 5.461 13.490 18.390 1.00 12.64 C +ATOM 73 CE2 PHE A 13 5.490 14.933 16.505 1.00 14.94 C +ATOM 74 CZ PHE A 13 5.667 13.689 17.037 1.00 12.89 C +ATOM 75 N VAL A 14 8.078 17.038 21.206 1.00 17.57 N +ATOM 76 CA VAL A 14 9.507 17.099 20.912 1.00 19.01 C +ATOM 77 C VAL A 14 9.860 16.142 19.761 1.00 19.51 C +ATOM 78 O VAL A 14 9.282 15.061 19.645 1.00 19.33 O +ATOM 79 CB VAL A 14 10.344 16.761 22.181 1.00 20.25 C +ATOM 80 CG1 VAL A 14 10.051 17.783 23.284 1.00 20.69 C +ATOM 81 CG2 VAL A 14 10.020 15.355 22.683 1.00 19.60 C +ATOM 82 N PRO A 15 10.755 16.558 18.850 1.00 17.75 N +ATOM 83 CA PRO A 15 11.331 17.895 18.755 1.00 16.15 C +ATOM 84 C PRO A 15 10.686 18.747 17.662 1.00 15.01 C +ATOM 85 O PRO A 15 11.377 19.518 16.999 1.00 15.58 O +ATOM 86 CB PRO A 15 12.791 17.599 18.451 1.00 15.76 C +ATOM 87 CG PRO A 15 12.738 16.382 17.608 1.00 16.16 C +ATOM 88 CD PRO A 15 11.482 15.619 17.981 1.00 17.02 C +ATOM 89 N PHE A 16 9.385 18.556 17.425 1.00 13.69 N +ATOM 90 CA PHE A 16 8.654 19.352 16.430 1.00 14.57 C +ATOM 91 C PHE A 16 8.091 20.667 16.975 1.00 12.29 C +ATOM 92 O PHE A 16 8.175 21.704 16.317 1.00 14.30 O +ATOM 93 CB PHE A 16 7.545 18.523 15.797 1.00 11.51 C +ATOM 94 CG PHE A 16 8.057 17.412 14.969 1.00 13.03 C +ATOM 95 CD1 PHE A 16 8.430 16.219 15.567 1.00 12.58 C +ATOM 96 CD2 PHE A 16 8.337 17.614 13.623 1.00 11.91 C +ATOM 97 CE1 PHE A 16 9.096 15.233 14.833 1.00 16.36 C +ATOM 98 CE2 PHE A 16 8.989 16.642 12.871 1.00 15.17 C +ATOM 99 CZ PHE A 16 9.379 15.451 13.472 1.00 16.70 C +ATOM 100 N GLU A 17 7.563 20.636 18.190 1.00 13.36 N +ATOM 101 CA GLU A 17 7.163 21.861 18.860 1.00 15.46 C +ATOM 102 C GLU A 17 7.108 21.612 20.341 1.00 17.19 C +ATOM 103 O GLU A 17 6.629 20.570 20.792 1.00 15.83 O +ATOM 104 CB GLU A 17 5.799 22.368 18.366 1.00 13.29 C +ATOM 105 CG GLU A 17 4.677 21.356 18.473 1.00 12.30 C +ATOM 106 CD GLU A 17 4.581 20.462 17.260 1.00 14.36 C +ATOM 107 OE1 GLU A 17 4.800 20.953 16.137 1.00 14.45 O +ATOM 108 OE2 GLU A 17 4.205 19.282 17.421 1.00 18.08 O +ATOM 109 N PHE A 18 7.785 22.484 21.070 1.00 19.11 N +ATOM 110 CA PHE A 18 7.735 22.506 22.521 1.00 23.19 C +ATOM 111 C PHE A 18 8.107 23.895 23.041 1.00 22.38 C +ATOM 112 O PHE A 18 8.689 24.711 22.317 1.00 21.84 O +ATOM 113 CB PHE A 18 8.696 21.464 23.110 1.00 22.00 C +ATOM 114 CG PHE A 18 10.130 21.631 22.680 1.00 20.69 C +ATOM 115 CD1 PHE A 18 10.559 21.134 21.457 1.00 21.36 C +ATOM 116 CD2 PHE A 18 11.074 22.142 23.565 1.00 19.40 C +ATOM 117 CE1 PHE A 18 11.906 21.130 21.128 1.00 21.19 C +ATOM 118 CE2 PHE A 18 12.409 22.143 23.250 1.00 20.26 C +ATOM 119 CZ PHE A 18 12.836 21.634 22.032 1.00 22.07 C +ATOM 120 N LYS A 19 7.791 24.134 24.307 1.00 24.91 N +ATOM 121 CA LYS A 19 8.133 25.387 24.968 1.00 27.34 C +ATOM 122 C LYS A 19 9.572 25.322 25.475 1.00 27.87 C +ATOM 123 O LYS A 19 9.905 24.483 26.294 1.00 28.09 O +ATOM 124 CB LYS A 19 7.156 25.636 26.128 1.00 28.29 C +ATOM 125 CG LYS A 19 7.518 26.800 27.041 1.00 29.88 C +ATOM 126 CD LYS A 19 6.325 27.708 27.292 1.00 31.08 C +ATOM 127 CE LYS A 19 5.803 28.309 25.979 1.00 33.50 C +ATOM 128 NZ LYS A 19 5.091 29.635 26.136 1.00 36.73 N +ATOM 129 N GLN A 20 10.444 26.142 24.908 1.00 30.77 N +ATOM 130 CA GLN A 20 11.752 26.355 25.504 1.00 32.78 C +ATOM 131 C GLN A 20 11.760 27.722 26.187 1.00 32.60 C +ATOM 132 O GLN A 20 11.832 28.760 25.535 1.00 30.77 O +ATOM 133 CB GLN A 20 12.844 26.274 24.442 1.00 35.14 C +ATOM 134 CG GLN A 20 14.237 26.105 25.016 1.00 37.09 C +ATOM 135 CD GLN A 20 15.267 25.776 23.961 1.00 38.71 C +ATOM 136 OE1 GLN A 20 15.561 26.592 23.079 1.00 40.10 O +ATOM 137 NE2 GLN A 20 15.861 24.593 24.069 1.00 41.08 N +ATOM 138 N GLY A 21 11.448 27.712 27.475 1.00 35.97 N +ATOM 139 CA GLY A 21 11.376 28.943 28.234 1.00 36.63 C +ATOM 140 C GLY A 21 10.111 29.729 27.978 1.00 37.73 C +ATOM 141 O GLY A 21 9.098 29.538 28.652 1.00 38.18 O +ATOM 142 N ASP A 22 10.171 30.649 27.030 1.00 37.36 N +ATOM 143 CA ASP A 22 9.042 31.516 26.793 1.00 38.75 C +ATOM 144 C ASP A 22 8.269 31.175 25.536 1.00 36.57 C +ATOM 145 O ASP A 22 7.076 30.898 25.601 1.00 40.63 O +ATOM 146 CB ASP A 22 9.483 32.970 26.741 1.00 47.03 C +ATOM 147 CG ASP A 22 8.307 33.918 26.625 1.00 50.35 C +ATOM 148 OD1 ASP A 22 7.260 33.667 27.280 1.00 51.90 O +ATOM 149 OD2 ASP A 22 8.409 34.886 25.846 1.00 52.81 O +ATOM 150 N LEU A 23 8.951 31.157 24.401 1.00 33.76 N +ATOM 151 CA LEU A 23 8.307 30.939 23.115 1.00 28.86 C +ATOM 152 C LEU A 23 8.250 29.460 22.780 1.00 27.42 C +ATOM 153 O LEU A 23 8.795 28.633 23.508 1.00 25.73 O +ATOM 154 CB LEU A 23 9.054 31.695 22.010 1.00 29.79 C +ATOM 155 CG LEU A 23 10.587 31.730 22.024 1.00 30.62 C +ATOM 156 CD1 LEU A 23 11.170 30.364 22.302 1.00 31.48 C +ATOM 157 CD2 LEU A 23 11.094 32.242 20.691 1.00 31.86 C +ATOM 158 N TYR A 24 7.639 29.133 21.650 1.00 25.29 N +ATOM 159 CA TYR A 24 7.678 27.774 21.147 1.00 22.75 C +ATOM 160 C TYR A 24 8.826 27.573 20.188 1.00 22.52 C +ATOM 161 O TYR A 24 9.143 28.462 19.391 1.00 23.03 O +ATOM 162 CB TYR A 24 6.363 27.401 20.477 1.00 21.06 C +ATOM 163 CG TYR A 24 5.446 26.648 21.402 1.00 22.00 C +ATOM 164 CD1 TYR A 24 4.940 27.256 22.548 1.00 22.39 C +ATOM 165 CD2 TYR A 24 5.165 25.297 21.195 1.00 24.43 C +ATOM 166 CE1 TYR A 24 4.179 26.543 23.463 1.00 23.57 C +ATOM 167 CE2 TYR A 24 4.405 24.572 22.117 1.00 24.64 C +ATOM 168 CZ TYR A 24 3.917 25.209 23.243 1.00 24.05 C +ATOM 169 OH TYR A 24 3.143 24.538 24.150 1.00 25.00 O +ATOM 170 N VAL A 25 9.370 26.360 20.203 1.00 20.68 N +ATOM 171 CA VAL A 25 10.604 26.027 19.510 1.00 19.81 C +ATOM 172 C VAL A 25 10.449 24.628 18.864 1.00 20.65 C +ATOM 173 O VAL A 25 9.619 23.835 19.314 1.00 18.60 O +ATOM 174 CB VAL A 25 11.774 26.076 20.535 1.00 18.01 C +ATOM 175 CG1 VAL A 25 12.789 25.032 20.263 1.00 20.84 C +ATOM 176 CG2 VAL A 25 12.414 27.447 20.527 1.00 17.70 C +ATOM 177 N GLY A 26 11.112 24.399 17.729 1.00 18.48 N +ATOM 178 CA GLY A 26 11.132 23.064 17.148 1.00 15.32 C +ATOM 179 C GLY A 26 11.159 23.019 15.630 1.00 15.13 C +ATOM 180 O GLY A 26 11.108 24.066 14.974 1.00 14.14 O +ATOM 181 N PHE A 27 11.205 21.799 15.080 1.00 12.90 N +ATOM 182 CA PHE A 27 11.235 21.549 13.635 1.00 12.85 C +ATOM 183 C PHE A 27 10.039 22.118 12.842 1.00 13.95 C +ATOM 184 O PHE A 27 10.224 22.650 11.750 1.00 17.76 O +ATOM 185 CB PHE A 27 11.378 20.037 13.368 1.00 14.14 C +ATOM 186 CG PHE A 27 11.576 19.682 11.906 1.00 16.12 C +ATOM 187 CD1 PHE A 27 12.843 19.685 11.335 1.00 17.63 C +ATOM 188 CD2 PHE A 27 10.480 19.412 11.079 1.00 15.77 C +ATOM 189 CE1 PHE A 27 13.018 19.430 9.959 1.00 15.98 C +ATOM 190 CE2 PHE A 27 10.646 19.159 9.710 1.00 16.14 C +ATOM 191 CZ PHE A 27 11.917 19.169 9.152 1.00 15.61 C +ATOM 192 N ASP A 28 8.815 21.887 13.313 1.00 14.83 N +ATOM 193 CA ASP A 28 7.618 22.431 12.662 1.00 15.25 C +ATOM 194 C ASP A 28 7.642 23.951 12.670 1.00 17.01 C +ATOM 195 O ASP A 28 7.228 24.584 11.698 1.00 16.41 O +ATOM 196 CB ASP A 28 6.341 21.977 13.375 1.00 16.30 C +ATOM 197 CG ASP A 28 5.868 20.607 12.930 1.00 17.50 C +ATOM 198 OD1 ASP A 28 6.392 20.068 11.929 1.00 17.27 O +ATOM 199 OD2 ASP A 28 5.008 20.034 13.613 1.00 15.32 O +ATOM 200 N VAL A 29 7.939 24.508 13.849 1.00 17.05 N +ATOM 201 CA VAL A 29 7.958 25.950 14.090 1.00 17.21 C +ATOM 202 C VAL A 29 8.884 26.635 13.079 1.00 17.15 C +ATOM 203 O VAL A 29 8.441 27.484 12.303 1.00 19.33 O +ATOM 204 CB VAL A 29 8.405 26.275 15.561 1.00 16.59 C +ATOM 205 CG1 VAL A 29 8.480 27.769 15.780 1.00 15.85 C +ATOM 206 CG2 VAL A 29 7.423 25.693 16.550 1.00 13.59 C +ATOM 207 N ASP A 30 10.125 26.166 12.995 1.00 16.61 N +ATOM 208 CA ASP A 30 11.067 26.632 11.985 1.00 15.06 C +ATOM 209 C ASP A 30 10.578 26.395 10.566 1.00 15.72 C +ATOM 210 O ASP A 30 10.696 27.278 9.722 1.00 13.78 O +ATOM 211 CB ASP A 30 12.423 25.942 12.147 1.00 16.78 C +ATOM 212 CG ASP A 30 13.198 26.435 13.343 1.00 16.87 C +ATOM 213 OD1 ASP A 30 12.781 27.386 14.029 1.00 20.18 O +ATOM 214 OD2 ASP A 30 14.266 25.867 13.594 1.00 17.58 O +ATOM 215 N LEU A 31 10.142 25.171 10.257 1.00 16.97 N +ATOM 216 CA LEU A 31 9.740 24.873 8.887 1.00 17.89 C +ATOM 217 C LEU A 31 8.630 25.814 8.448 1.00 18.60 C +ATOM 218 O LEU A 31 8.655 26.357 7.332 1.00 20.26 O +ATOM 219 CB LEU A 31 9.274 23.415 8.729 1.00 21.58 C +ATOM 220 CG LEU A 31 8.844 23.059 7.286 1.00 22.19 C +ATOM 221 CD1 LEU A 31 10.071 23.101 6.350 1.00 20.84 C +ATOM 222 CD2 LEU A 31 8.138 21.693 7.248 1.00 21.48 C +ATOM 223 N TRP A 32 7.683 26.050 9.351 1.00 19.24 N +ATOM 224 CA TRP A 32 6.573 26.935 9.045 1.00 18.03 C +ATOM 225 C TRP A 32 7.010 28.395 8.968 1.00 18.82 C +ATOM 226 O TRP A 32 6.573 29.109 8.075 1.00 19.50 O +ATOM 227 CB TRP A 32 5.463 26.813 10.068 1.00 16.17 C +ATOM 228 CG TRP A 32 4.376 27.769 9.749 1.00 14.38 C +ATOM 229 CD1 TRP A 32 4.073 28.933 10.412 1.00 13.52 C +ATOM 230 CD2 TRP A 32 3.553 27.749 8.582 1.00 13.83 C +ATOM 231 NE1 TRP A 32 3.126 29.635 9.716 1.00 13.80 N +ATOM 232 CE2 TRP A 32 2.779 28.928 8.596 1.00 11.62 C +ATOM 233 CE3 TRP A 32 3.395 26.844 7.521 1.00 14.42 C +ATOM 234 CZ2 TRP A 32 1.849 29.226 7.600 1.00 14.35 C +ATOM 235 CZ3 TRP A 32 2.485 27.136 6.532 1.00 14.53 C +ATOM 236 CH2 TRP A 32 1.711 28.325 6.578 1.00 12.33 C +ATOM 237 N ALA A 33 7.845 28.839 9.911 1.00 16.17 N +ATOM 238 CA ALA A 33 8.434 30.179 9.855 1.00 15.10 C +ATOM 239 C ALA A 33 9.116 30.407 8.502 1.00 17.22 C +ATOM 240 O ALA A 33 8.909 31.432 7.859 1.00 16.39 O +ATOM 241 CB ALA A 33 9.423 30.363 10.989 1.00 12.31 C +ATOM 242 N ALA A 34 9.748 29.356 7.987 1.00 16.75 N +ATOM 243 CA ALA A 34 10.393 29.375 6.675 1.00 16.47 C +ATOM 244 C ALA A 34 9.376 29.478 5.532 1.00 15.53 C +ATOM 245 O ALA A 34 9.568 30.237 4.574 1.00 14.82 O +ATOM 246 CB ALA A 34 11.254 28.105 6.503 1.00 16.38 C +ATOM 247 N ILE A 35 8.351 28.637 5.582 1.00 12.86 N +ATOM 248 CA ILE A 35 7.305 28.668 4.568 1.00 15.58 C +ATOM 249 C ILE A 35 6.624 30.044 4.582 1.00 16.80 C +ATOM 250 O ILE A 35 6.489 30.678 3.543 1.00 14.15 O +ATOM 251 CB ILE A 35 6.220 27.603 4.836 1.00 13.73 C +ATOM 252 CG1 ILE A 35 6.816 26.199 4.732 1.00 11.33 C +ATOM 253 CG2 ILE A 35 5.050 27.777 3.849 1.00 11.25 C +ATOM 254 CD1 ILE A 35 5.998 25.143 5.484 1.00 12.83 C +ATOM 255 N ALA A 36 6.170 30.459 5.767 1.00 19.38 N +ATOM 256 CA ALA A 36 5.541 31.758 6.007 1.00 21.77 C +ATOM 257 C ALA A 36 6.391 32.909 5.466 1.00 23.00 C +ATOM 258 O ALA A 36 5.870 33.823 4.815 1.00 24.17 O +ATOM 259 CB ALA A 36 5.307 31.937 7.494 1.00 19.30 C +ATOM 260 N LYS A 37 7.701 32.835 5.706 1.00 24.17 N +ATOM 261 CA LYS A 37 8.663 33.756 5.111 1.00 25.73 C +ATOM 262 C LYS A 37 8.627 33.681 3.592 1.00 24.16 C +ATOM 263 O LYS A 37 8.511 34.695 2.918 1.00 25.65 O +ATOM 264 CB LYS A 37 10.081 33.457 5.612 1.00 30.52 C +ATOM 265 CG LYS A 37 11.176 34.318 4.976 1.00 35.66 C +ATOM 266 CD LYS A 37 12.351 33.459 4.446 1.00 41.02 C +ATOM 267 CE LYS A 37 11.955 32.482 3.299 1.00 43.82 C +ATOM 268 NZ LYS A 37 11.748 33.127 1.953 1.00 43.94 N +ATOM 269 N GLU A 38 8.738 32.484 3.045 1.00 21.62 N +ATOM 270 CA GLU A 38 8.696 32.314 1.604 1.00 19.11 C +ATOM 271 C GLU A 38 7.452 32.948 0.951 1.00 17.64 C +ATOM 272 O GLU A 38 7.553 33.753 0.028 1.00 19.71 O +ATOM 273 CB GLU A 38 8.772 30.823 1.294 1.00 19.39 C +ATOM 274 CG GLU A 38 8.890 30.492 -0.176 1.00 22.04 C +ATOM 275 CD GLU A 38 9.926 31.320 -0.891 1.00 23.14 C +ATOM 276 OE1 GLU A 38 10.953 31.667 -0.278 1.00 26.28 O +ATOM 277 OE2 GLU A 38 9.718 31.612 -2.081 1.00 27.67 O +ATOM 278 N LEU A 39 6.305 32.722 1.564 1.00 15.50 N +ATOM 279 CA LEU A 39 5.025 33.125 1.007 1.00 17.80 C +ATOM 280 C LEU A 39 4.595 34.536 1.400 1.00 17.07 C +ATOM 281 O LEU A 39 3.670 35.081 0.813 1.00 21.79 O +ATOM 282 CB LEU A 39 3.951 32.136 1.456 1.00 17.17 C +ATOM 283 CG LEU A 39 4.042 30.707 0.944 1.00 18.83 C +ATOM 284 CD1 LEU A 39 2.908 29.921 1.537 1.00 15.69 C +ATOM 285 CD2 LEU A 39 3.978 30.692 -0.585 1.00 18.40 C +ATOM 286 N LYS A 40 5.204 35.087 2.438 1.00 19.57 N +ATOM 287 CA LYS A 40 4.794 36.374 3.002 1.00 22.51 C +ATOM 288 C LYS A 40 3.435 36.243 3.663 1.00 24.40 C +ATOM 289 O LYS A 40 2.483 36.970 3.334 1.00 26.07 O +ATOM 290 CB LYS A 40 4.716 37.470 1.934 1.00 26.25 C +ATOM 291 CG LYS A 40 6.020 37.854 1.287 1.00 23.35 C +ATOM 292 CD LYS A 40 5.772 39.007 0.336 1.00 24.23 C +ATOM 293 CE LYS A 40 6.670 38.899 -0.871 1.00 24.75 C +ATOM 294 NZ LYS A 40 7.153 40.266 -1.316 1.00 25.25 N +ATOM 295 N LEU A 41 3.324 35.273 4.556 1.00 25.60 N +ATOM 296 CA LEU A 41 2.088 35.091 5.295 1.00 28.59 C +ATOM 297 C LEU A 41 2.362 35.679 6.661 1.00 29.83 C +ATOM 298 O LEU A 41 3.502 35.621 7.136 1.00 29.60 O +ATOM 299 CB LEU A 41 1.732 33.603 5.424 1.00 26.88 C +ATOM 300 CG LEU A 41 1.721 32.737 4.162 1.00 28.81 C +ATOM 301 CD1 LEU A 41 1.290 31.321 4.497 1.00 27.72 C +ATOM 302 CD2 LEU A 41 0.793 33.343 3.132 1.00 27.65 C +ATOM 303 N ASP A 42 1.366 36.332 7.249 1.00 28.42 N +ATOM 304 CA ASP A 42 1.486 36.687 8.651 1.00 29.91 C +ATOM 305 C ASP A 42 0.622 35.808 9.517 1.00 25.96 C +ATOM 306 O ASP A 42 -0.475 35.431 9.127 1.00 24.79 O +ATOM 307 CB ASP A 42 1.143 38.143 8.891 1.00 35.77 C +ATOM 308 CG ASP A 42 2.193 38.832 9.726 1.00 40.55 C +ATOM 309 OD1 ASP A 42 2.406 38.384 10.876 1.00 41.28 O +ATOM 310 OD2 ASP A 42 2.876 39.740 9.197 1.00 42.34 O +ATOM 311 N TYR A 43 1.078 35.538 10.723 1.00 22.22 N +ATOM 312 CA TYR A 43 0.449 34.506 11.516 1.00 24.13 C +ATOM 313 C TYR A 43 0.824 34.618 12.976 1.00 22.58 C +ATOM 314 O TYR A 43 1.864 35.174 13.328 1.00 23.39 O +ATOM 315 CB TYR A 43 0.853 33.116 10.991 1.00 24.53 C +ATOM 316 CG TYR A 43 2.287 32.738 11.311 1.00 22.27 C +ATOM 317 CD1 TYR A 43 3.335 33.237 10.553 1.00 22.89 C +ATOM 318 CD2 TYR A 43 2.598 31.972 12.436 1.00 21.41 C +ATOM 319 CE1 TYR A 43 4.655 32.993 10.902 1.00 23.83 C +ATOM 320 CE2 TYR A 43 3.912 31.733 12.796 1.00 21.85 C +ATOM 321 CZ TYR A 43 4.933 32.238 12.021 1.00 22.85 C +ATOM 322 OH TYR A 43 6.244 31.942 12.300 1.00 23.86 O +ATOM 323 N GLU A 44 0.024 33.969 13.806 1.00 26.32 N +ATOM 324 CA GLU A 44 0.430 33.626 15.156 1.00 26.10 C +ATOM 325 C GLU A 44 0.096 32.151 15.372 1.00 24.64 C +ATOM 326 O GLU A 44 -0.818 31.612 14.733 1.00 19.86 O +ATOM 327 CB GLU A 44 -0.287 34.529 16.178 1.00 26.60 C +ATOM 328 CG GLU A 44 -1.770 34.716 15.948 1.00 31.82 C +ATOM 329 CD GLU A 44 -2.612 33.932 16.935 1.00 36.01 C +ATOM 330 OE1 GLU A 44 -2.435 32.694 17.035 1.00 39.93 O +ATOM 331 OE2 GLU A 44 -3.442 34.537 17.642 1.00 35.06 O +ATOM 332 N LEU A 45 0.961 31.472 16.121 1.00 26.93 N +ATOM 333 CA LEU A 45 0.769 30.067 16.473 1.00 26.37 C +ATOM 334 C LEU A 45 -0.165 29.930 17.662 1.00 24.57 C +ATOM 335 O LEU A 45 -0.353 30.882 18.426 1.00 24.96 O +ATOM 336 CB LEU A 45 2.106 29.424 16.814 1.00 28.26 C +ATOM 337 CG LEU A 45 3.130 29.389 15.684 1.00 31.99 C +ATOM 338 CD1 LEU A 45 4.186 28.345 16.003 1.00 33.52 C +ATOM 339 CD2 LEU A 45 2.449 29.063 14.366 1.00 33.05 C +ATOM 340 N LYS A 46 -0.752 28.750 17.819 1.00 21.61 N +ATOM 341 CA LYS A 46 -1.701 28.507 18.905 1.00 21.18 C +ATOM 342 C LYS A 46 -1.600 27.067 19.382 1.00 21.02 C +ATOM 343 O LYS A 46 -2.236 26.174 18.827 1.00 19.39 O +ATOM 344 CB LYS A 46 -3.132 28.788 18.443 1.00 23.22 C +ATOM 345 CG LYS A 46 -4.162 28.657 19.538 1.00 25.82 C +ATOM 346 CD LYS A 46 -4.026 29.791 20.539 1.00 31.17 C +ATOM 347 CE LYS A 46 -4.474 31.151 19.948 1.00 33.77 C +ATOM 348 NZ LYS A 46 -3.469 31.807 19.044 1.00 35.17 N +ATOM 349 N PRO A 47 -0.733 26.809 20.364 1.00 20.34 N +ATOM 350 CA PRO A 47 -0.574 25.417 20.785 1.00 22.68 C +ATOM 351 C PRO A 47 -1.850 24.878 21.445 1.00 23.13 C +ATOM 352 O PRO A 47 -2.655 25.639 21.992 1.00 26.62 O +ATOM 353 CB PRO A 47 0.614 25.479 21.753 1.00 23.28 C +ATOM 354 CG PRO A 47 1.359 26.716 21.343 1.00 23.17 C +ATOM 355 CD PRO A 47 0.271 27.683 20.989 1.00 22.60 C +ATOM 356 N MET A 48 -2.066 23.578 21.343 1.00 21.87 N +ATOM 357 CA MET A 48 -3.243 22.970 21.922 1.00 21.96 C +ATOM 358 C MET A 48 -3.052 21.461 21.949 1.00 22.93 C +ATOM 359 O MET A 48 -2.193 20.925 21.243 1.00 19.40 O +ATOM 360 CB MET A 48 -4.494 23.340 21.110 1.00 20.95 C +ATOM 361 CG MET A 48 -4.737 22.494 19.871 1.00 22.54 C +ATOM 362 SD MET A 48 -6.116 23.077 18.871 1.00 23.86 S +ATOM 363 CE MET A 48 -6.032 24.797 19.219 1.00 24.46 C +ATOM 364 N ASP A 49 -3.770 20.793 22.847 1.00 22.35 N +ATOM 365 CA ASP A 49 -3.654 19.352 22.942 1.00 22.63 C +ATOM 366 C ASP A 49 -4.105 18.730 21.633 1.00 21.77 C +ATOM 367 O ASP A 49 -5.169 19.060 21.106 1.00 23.76 O +ATOM 368 CB ASP A 49 -4.467 18.806 24.120 1.00 21.24 C +ATOM 369 CG ASP A 49 -3.734 18.933 25.445 1.00 21.02 C +ATOM 370 OD1 ASP A 49 -2.581 19.421 25.464 1.00 17.27 O +ATOM 371 OD2 ASP A 49 -4.294 18.512 26.476 1.00 20.94 O +ATOM 372 N PHE A 50 -3.227 17.911 21.064 1.00 22.88 N +ATOM 373 CA PHE A 50 -3.419 17.294 19.760 1.00 18.45 C +ATOM 374 C PHE A 50 -4.866 16.941 19.469 1.00 19.95 C +ATOM 375 O PHE A 50 -5.347 17.188 18.365 1.00 18.30 O +ATOM 376 CB PHE A 50 -2.559 16.042 19.649 1.00 15.85 C +ATOM 377 CG PHE A 50 -2.552 15.442 18.280 1.00 13.86 C +ATOM 378 CD1 PHE A 50 -1.696 15.940 17.300 1.00 10.65 C +ATOM 379 CD2 PHE A 50 -3.463 14.438 17.941 1.00 12.32 C +ATOM 380 CE1 PHE A 50 -1.756 15.446 15.991 1.00 10.66 C +ATOM 381 CE2 PHE A 50 -3.532 13.948 16.650 1.00 10.18 C +ATOM 382 CZ PHE A 50 -2.677 14.454 15.669 1.00 9.93 C +ATOM 383 N SER A 51 -5.555 16.388 20.467 1.00 21.72 N +ATOM 384 CA SER A 51 -6.944 15.938 20.332 1.00 23.74 C +ATOM 385 C SER A 51 -7.893 17.003 19.781 1.00 22.85 C +ATOM 386 O SER A 51 -8.874 16.693 19.103 1.00 25.14 O +ATOM 387 CB SER A 51 -7.461 15.445 21.684 1.00 22.92 C +ATOM 388 OG SER A 51 -7.135 14.083 21.874 1.00 29.35 O +ATOM 389 N GLY A 52 -7.588 18.261 20.056 1.00 22.34 N +ATOM 390 CA GLY A 52 -8.468 19.329 19.633 1.00 19.56 C +ATOM 391 C GLY A 52 -8.144 19.891 18.271 1.00 19.11 C +ATOM 392 O GLY A 52 -8.947 20.637 17.716 1.00 18.98 O +ATOM 393 N ILE A 53 -7.021 19.484 17.686 1.00 18.84 N +ATOM 394 CA ILE A 53 -6.567 20.105 16.445 1.00 16.27 C +ATOM 395 C ILE A 53 -7.433 19.813 15.221 1.00 18.43 C +ATOM 396 O ILE A 53 -7.836 20.745 14.516 1.00 17.08 O +ATOM 397 CB ILE A 53 -5.083 19.771 16.155 1.00 14.44 C +ATOM 398 CG1 ILE A 53 -4.202 20.552 17.141 1.00 13.92 C +ATOM 399 CG2 ILE A 53 -4.722 20.099 14.693 1.00 12.17 C +ATOM 400 CD1 ILE A 53 -2.821 19.978 17.348 1.00 13.80 C +ATOM 401 N ILE A 54 -7.708 18.537 14.956 1.00 18.49 N +ATOM 402 CA ILE A 54 -8.548 18.174 13.816 1.00 20.22 C +ATOM 403 C ILE A 54 -9.936 18.807 13.975 1.00 21.06 C +ATOM 404 O ILE A 54 -10.422 19.494 13.069 1.00 21.25 O +ATOM 405 CB ILE A 54 -8.696 16.625 13.658 1.00 20.64 C +ATOM 406 CG1 ILE A 54 -7.405 16.012 13.103 1.00 22.47 C +ATOM 407 CG2 ILE A 54 -9.841 16.302 12.720 1.00 21.03 C +ATOM 408 CD1 ILE A 54 -7.102 16.415 11.669 1.00 25.49 C +ATOM 409 N PRO A 55 -10.578 18.611 15.142 1.00 20.06 N +ATOM 410 CA PRO A 55 -11.807 19.362 15.406 1.00 21.07 C +ATOM 411 C PRO A 55 -11.667 20.862 15.115 1.00 23.17 C +ATOM 412 O PRO A 55 -12.493 21.428 14.393 1.00 25.08 O +ATOM 413 CB PRO A 55 -12.074 19.082 16.882 1.00 20.24 C +ATOM 414 CG PRO A 55 -11.499 17.711 17.086 1.00 20.96 C +ATOM 415 CD PRO A 55 -10.263 17.683 16.247 1.00 19.16 C +ATOM 416 N ALA A 56 -10.597 21.475 15.621 1.00 20.32 N +ATOM 417 CA ALA A 56 -10.318 22.894 15.394 1.00 20.28 C +ATOM 418 C ALA A 56 -10.272 23.304 13.909 1.00 18.81 C +ATOM 419 O ALA A 56 -10.783 24.362 13.541 1.00 18.09 O +ATOM 420 CB ALA A 56 -9.017 23.282 16.085 1.00 20.28 C +ATOM 421 N LEU A 57 -9.624 22.501 13.069 1.00 19.17 N +ATOM 422 CA LEU A 57 -9.553 22.797 11.639 1.00 20.54 C +ATOM 423 C LEU A 57 -10.949 22.693 11.043 1.00 25.04 C +ATOM 424 O LEU A 57 -11.358 23.540 10.237 1.00 21.65 O +ATOM 425 CB LEU A 57 -8.630 21.816 10.917 1.00 17.14 C +ATOM 426 CG LEU A 57 -7.125 21.965 11.186 1.00 17.73 C +ATOM 427 CD1 LEU A 57 -6.390 20.754 10.694 1.00 15.89 C +ATOM 428 CD2 LEU A 57 -6.583 23.216 10.518 1.00 17.75 C +ATOM 429 N GLN A 58 -11.664 21.640 11.445 1.00 27.05 N +ATOM 430 CA GLN A 58 -13.018 21.368 10.964 1.00 32.22 C +ATOM 431 C GLN A 58 -13.972 22.504 11.315 1.00 32.24 C +ATOM 432 O GLN A 58 -14.770 22.938 10.483 1.00 34.14 O +ATOM 433 CB GLN A 58 -13.545 20.069 11.573 1.00 33.25 C +ATOM 434 CG GLN A 58 -12.977 18.822 10.964 1.00 38.43 C +ATOM 435 CD GLN A 58 -13.790 17.602 11.316 1.00 41.88 C +ATOM 436 OE1 GLN A 58 -13.656 17.045 12.411 1.00 42.97 O +ATOM 437 NE2 GLN A 58 -14.644 17.172 10.390 1.00 43.81 N +ATOM 438 N THR A 59 -13.901 22.971 12.553 1.00 31.22 N +ATOM 439 CA THR A 59 -14.752 24.058 12.986 1.00 33.53 C +ATOM 440 C THR A 59 -14.209 25.352 12.408 1.00 35.11 C +ATOM 441 O THR A 59 -14.769 26.426 12.638 1.00 36.70 O +ATOM 442 CB THR A 59 -14.774 24.183 14.518 1.00 36.06 C +ATOM 443 OG1 THR A 59 -13.449 24.474 14.983 1.00 39.21 O +ATOM 444 CG2 THR A 59 -15.280 22.887 15.176 1.00 34.54 C +ATOM 445 N LYS A 60 -13.079 25.253 11.710 1.00 36.38 N +ATOM 446 CA LYS A 60 -12.407 26.412 11.121 1.00 36.75 C +ATOM 447 C LYS A 60 -12.126 27.473 12.192 1.00 34.01 C +ATOM 448 O LYS A 60 -12.173 28.684 11.939 1.00 33.07 O +ATOM 449 CB LYS A 60 -13.241 26.998 9.971 1.00 40.48 C +ATOM 450 CG LYS A 60 -14.039 25.971 9.162 1.00 44.48 C +ATOM 451 CD LYS A 60 -15.552 26.181 9.379 1.00 49.09 C +ATOM 452 CE LYS A 60 -16.426 25.188 8.623 1.00 49.78 C +ATOM 453 NZ LYS A 60 -16.967 24.135 9.525 1.00 52.39 N +ATOM 454 N ASN A 61 -11.874 26.994 13.406 1.00 30.65 N +ATOM 455 CA ASN A 61 -11.397 27.824 14.500 1.00 28.19 C +ATOM 456 C ASN A 61 -9.911 28.127 14.356 1.00 28.03 C +ATOM 457 O ASN A 61 -9.377 28.985 15.058 1.00 28.13 O +ATOM 458 CB ASN A 61 -11.626 27.111 15.826 1.00 29.50 C +ATOM 459 CG ASN A 61 -12.791 27.677 16.591 1.00 29.34 C +ATOM 460 OD1 ASN A 61 -13.799 27.008 16.775 1.00 25.90 O +ATOM 461 ND2 ASN A 61 -12.636 28.895 17.095 1.00 28.38 N +ATOM 462 N VAL A 62 -9.225 27.344 13.530 1.00 26.87 N +ATOM 463 CA VAL A 62 -7.819 27.586 13.218 1.00 22.34 C +ATOM 464 C VAL A 62 -7.623 27.408 11.708 1.00 21.38 C +ATOM 465 O VAL A 62 -8.453 26.758 11.053 1.00 17.93 O +ATOM 466 CB VAL A 62 -6.899 26.620 14.029 1.00 23.13 C +ATOM 467 CG1 VAL A 62 -7.014 25.181 13.517 1.00 18.29 C +ATOM 468 CG2 VAL A 62 -5.484 27.089 13.966 1.00 23.92 C +ATOM 469 N ASP A 63 -6.672 28.140 11.131 1.00 17.55 N +ATOM 470 CA ASP A 63 -6.557 28.184 9.670 1.00 20.56 C +ATOM 471 C ASP A 63 -5.769 27.013 9.112 1.00 19.33 C +ATOM 472 O ASP A 63 -6.013 26.574 7.988 1.00 21.89 O +ATOM 473 CB ASP A 63 -5.922 29.494 9.180 1.00 21.07 C +ATOM 474 CG ASP A 63 -6.769 30.711 9.495 1.00 22.54 C +ATOM 475 OD1 ASP A 63 -7.912 30.817 9.006 1.00 25.35 O +ATOM 476 OD2 ASP A 63 -6.294 31.562 10.269 1.00 23.61 O +ATOM 477 N LEU A 64 -4.818 26.516 9.887 1.00 17.96 N +ATOM 478 CA LEU A 64 -4.011 25.380 9.472 1.00 14.79 C +ATOM 479 C LEU A 64 -3.309 24.896 10.709 1.00 16.54 C +ATOM 480 O LEU A 64 -3.556 25.399 11.814 1.00 16.47 O +ATOM 481 CB LEU A 64 -2.974 25.784 8.425 1.00 17.59 C +ATOM 482 CG LEU A 64 -1.982 26.878 8.844 1.00 19.83 C +ATOM 483 CD1 LEU A 64 -0.532 26.459 8.555 1.00 18.21 C +ATOM 484 CD2 LEU A 64 -2.341 28.144 8.115 1.00 19.34 C +ATOM 485 N ALA A 65 -2.427 23.920 10.528 1.00 15.93 N +ATOM 486 CA ALA A 65 -1.872 23.197 11.656 1.00 14.91 C +ATOM 487 C ALA A 65 -0.641 22.398 11.293 1.00 14.74 C +ATOM 488 O ALA A 65 -0.587 21.732 10.259 1.00 14.55 O +ATOM 489 CB ALA A 65 -2.918 22.272 12.245 1.00 14.04 C +ATOM 490 N LEU A 66 0.312 22.425 12.207 1.00 15.40 N +ATOM 491 CA LEU A 66 1.462 21.549 12.175 1.00 15.66 C +ATOM 492 C LEU A 66 1.579 21.007 13.584 1.00 14.86 C +ATOM 493 O LEU A 66 1.470 21.752 14.568 1.00 13.81 O +ATOM 494 CB LEU A 66 2.738 22.315 11.829 1.00 13.60 C +ATOM 495 CG LEU A 66 2.803 22.984 10.470 1.00 12.73 C +ATOM 496 CD1 LEU A 66 2.178 24.367 10.584 1.00 18.08 C +ATOM 497 CD2 LEU A 66 4.252 23.058 10.010 1.00 14.53 C +ATOM 498 N ALA A 67 1.677 19.690 13.671 1.00 13.24 N +ATOM 499 CA ALA A 67 1.843 19.025 14.941 1.00 10.97 C +ATOM 500 C ALA A 67 2.368 17.652 14.625 1.00 11.63 C +ATOM 501 O ALA A 67 1.788 16.677 15.084 1.00 11.20 O +ATOM 502 CB ALA A 67 0.488 18.915 15.661 1.00 12.74 C +ATOM 503 N GLY A 68 3.265 17.574 13.644 1.00 11.04 N +ATOM 504 CA GLY A 68 3.768 16.288 13.180 1.00 11.47 C +ATOM 505 C GLY A 68 2.623 15.358 12.828 1.00 15.64 C +ATOM 506 O GLY A 68 2.572 14.212 13.303 1.00 16.02 O +ATOM 507 N ILE A 69 1.671 15.887 12.056 1.00 15.42 N +ATOM 508 CA ILE A 69 0.380 15.241 11.795 1.00 13.13 C +ATOM 509 C ILE A 69 0.476 14.284 10.616 1.00 12.35 C +ATOM 510 O ILE A 69 0.686 14.690 9.478 1.00 11.58 O +ATOM 511 CB ILE A 69 -0.727 16.288 11.483 1.00 15.11 C +ATOM 512 CG1 ILE A 69 -0.894 17.256 12.652 1.00 11.85 C +ATOM 513 CG2 ILE A 69 -2.063 15.599 11.205 1.00 14.03 C +ATOM 514 CD1 ILE A 69 -1.526 18.603 12.216 1.00 9.16 C +ATOM 515 N THR A 70 0.356 13.001 10.917 1.00 13.04 N +ATOM 516 CA THR A 70 0.373 11.947 9.914 1.00 12.14 C +ATOM 517 C THR A 70 -0.716 12.094 8.867 1.00 12.49 C +ATOM 518 O THR A 70 -1.902 12.255 9.196 1.00 13.26 O +ATOM 519 CB THR A 70 0.223 10.577 10.597 1.00 11.53 C +ATOM 520 OG1 THR A 70 1.167 10.485 11.674 1.00 10.70 O +ATOM 521 CG2 THR A 70 0.476 9.447 9.604 1.00 11.12 C +ATOM 522 N ILE A 71 -0.323 11.905 7.612 1.00 14.28 N +ATOM 523 CA ILE A 71 -1.262 11.806 6.499 1.00 14.52 C +ATOM 524 C ILE A 71 -1.829 10.364 6.473 1.00 19.82 C +ATOM 525 O ILE A 71 -1.068 9.383 6.539 1.00 18.88 O +ATOM 526 CB ILE A 71 -0.548 12.136 5.156 1.00 13.00 C +ATOM 527 CG1 ILE A 71 0.012 13.565 5.206 1.00 9.35 C +ATOM 528 CG2 ILE A 71 -1.501 12.003 3.986 1.00 9.67 C +ATOM 529 CD1 ILE A 71 1.128 13.826 4.206 1.00 11.57 C +ATOM 530 N THR A 72 -3.152 10.255 6.596 1.00 20.32 N +ATOM 531 CA THR A 72 -3.858 8.992 6.408 1.00 22.64 C +ATOM 532 C THR A 72 -5.055 9.307 5.527 1.00 25.99 C +ATOM 533 O THR A 72 -5.622 10.393 5.643 1.00 26.41 O +ATOM 534 CB THR A 72 -4.394 8.446 7.729 1.00 19.58 C +ATOM 535 OG1 THR A 72 -5.434 9.305 8.204 1.00 18.06 O +ATOM 536 CG2 THR A 72 -3.297 8.385 8.759 1.00 20.56 C +ATOM 537 N ASP A 73 -5.492 8.353 4.713 1.00 29.38 N +ATOM 538 CA ASP A 73 -6.615 8.614 3.822 1.00 33.68 C +ATOM 539 C ASP A 73 -7.923 8.622 4.588 1.00 33.21 C +ATOM 540 O ASP A 73 -8.868 9.321 4.231 1.00 34.39 O +ATOM 541 CB ASP A 73 -6.635 7.609 2.677 1.00 40.82 C +ATOM 542 CG ASP A 73 -5.727 8.034 1.534 1.00 46.92 C +ATOM 543 OD1 ASP A 73 -4.516 8.259 1.787 1.00 50.51 O +ATOM 544 OD2 ASP A 73 -6.238 8.336 0.430 1.00 48.72 O +ATOM 545 N GLU A 74 -7.868 8.057 5.782 1.00 31.91 N +ATOM 546 CA GLU A 74 -8.956 8.139 6.724 1.00 31.93 C +ATOM 547 C GLU A 74 -9.193 9.619 7.086 1.00 31.21 C +ATOM 548 O GLU A 74 -10.297 10.138 6.880 1.00 31.29 O +ATOM 549 CB GLU A 74 -8.607 7.283 7.953 1.00 37.18 C +ATOM 550 CG GLU A 74 -8.495 5.728 7.676 1.00 43.58 C +ATOM 551 CD GLU A 74 -7.283 5.253 6.800 1.00 43.90 C +ATOM 552 OE1 GLU A 74 -7.284 5.475 5.563 1.00 46.00 O +ATOM 553 OE2 GLU A 74 -6.414 4.507 7.314 1.00 42.95 O +ATOM 554 N ARG A 75 -8.124 10.330 7.452 1.00 28.44 N +ATOM 555 CA ARG A 75 -8.207 11.761 7.772 1.00 23.26 C +ATOM 556 C ARG A 75 -8.501 12.622 6.553 1.00 21.92 C +ATOM 557 O ARG A 75 -9.104 13.675 6.691 1.00 20.86 O +ATOM 558 CB ARG A 75 -6.912 12.264 8.414 1.00 22.77 C +ATOM 559 CG ARG A 75 -6.835 12.081 9.916 1.00 21.49 C +ATOM 560 CD ARG A 75 -5.390 12.041 10.364 1.00 18.75 C +ATOM 561 NE ARG A 75 -5.265 11.719 11.772 1.00 17.32 N +ATOM 562 CZ ARG A 75 -4.109 11.701 12.425 1.00 19.64 C +ATOM 563 NH1 ARG A 75 -2.965 11.845 11.763 1.00 15.76 N +ATOM 564 NH2 ARG A 75 -4.089 11.431 13.723 1.00 19.39 N +ATOM 565 N LYS A 76 -8.041 12.189 5.379 1.00 21.36 N +ATOM 566 CA LYS A 76 -8.280 12.883 4.112 1.00 24.21 C +ATOM 567 C LYS A 76 -9.758 13.135 3.835 1.00 23.82 C +ATOM 568 O LYS A 76 -10.110 14.024 3.061 1.00 23.80 O +ATOM 569 CB LYS A 76 -7.694 12.083 2.950 1.00 23.13 C +ATOM 570 CG LYS A 76 -6.259 12.397 2.605 1.00 25.39 C +ATOM 571 CD LYS A 76 -5.897 11.723 1.293 1.00 25.48 C +ATOM 572 CE LYS A 76 -4.396 11.686 1.073 1.00 27.52 C +ATOM 573 NZ LYS A 76 -4.009 10.557 0.163 1.00 33.74 N +ATOM 574 N LYS A 77 -10.621 12.373 4.494 1.00 23.05 N +ATOM 575 CA LYS A 77 -12.047 12.592 4.378 1.00 24.92 C +ATOM 576 C LYS A 77 -12.481 13.859 5.105 1.00 25.02 C +ATOM 577 O LYS A 77 -13.414 14.527 4.675 1.00 29.00 O +ATOM 578 CB LYS A 77 -12.812 11.384 4.917 1.00 30.25 C +ATOM 579 CG LYS A 77 -12.383 10.067 4.299 1.00 30.48 C +ATOM 580 CD LYS A 77 -13.318 8.950 4.683 1.00 32.30 C +ATOM 581 CE LYS A 77 -12.552 7.672 4.939 1.00 33.63 C +ATOM 582 NZ LYS A 77 -12.137 7.591 6.366 1.00 36.58 N +ATOM 583 N ALA A 78 -11.680 14.291 6.073 1.00 25.80 N +ATOM 584 CA ALA A 78 -12.078 15.343 7.007 1.00 22.96 C +ATOM 585 C ALA A 78 -11.320 16.665 6.826 1.00 25.37 C +ATOM 586 O ALA A 78 -11.853 17.726 7.149 1.00 22.17 O +ATOM 587 CB ALA A 78 -11.919 14.851 8.432 1.00 22.16 C +ATOM 588 N ILE A 79 -10.068 16.592 6.376 1.00 22.22 N +ATOM 589 CA ILE A 79 -9.219 17.768 6.226 1.00 22.22 C +ATOM 590 C ILE A 79 -8.273 17.584 5.029 1.00 22.48 C +ATOM 591 O ILE A 79 -8.216 16.496 4.434 1.00 24.84 O +ATOM 592 CB ILE A 79 -8.357 18.037 7.488 1.00 22.50 C +ATOM 593 CG1 ILE A 79 -7.531 16.800 7.835 1.00 25.93 C +ATOM 594 CG2 ILE A 79 -9.210 18.486 8.663 1.00 21.21 C +ATOM 595 CD1 ILE A 79 -6.062 17.111 8.021 1.00 24.86 C +ATOM 596 N ASP A 80 -7.577 18.656 4.646 1.00 19.46 N +ATOM 597 CA ASP A 80 -6.636 18.599 3.539 1.00 17.15 C +ATOM 598 C ASP A 80 -5.217 18.612 4.034 1.00 13.71 C +ATOM 599 O ASP A 80 -4.921 19.096 5.123 1.00 10.64 O +ATOM 600 CB ASP A 80 -6.838 19.765 2.576 1.00 19.14 C +ATOM 601 CG ASP A 80 -7.919 19.498 1.573 1.00 20.27 C +ATOM 602 OD1 ASP A 80 -8.159 18.316 1.237 1.00 22.00 O +ATOM 603 OD2 ASP A 80 -8.563 20.465 1.156 1.00 21.59 O +ATOM 604 N PHE A 81 -4.329 18.142 3.176 1.00 14.21 N +ATOM 605 CA PHE A 81 -2.931 17.977 3.535 1.00 16.36 C +ATOM 606 C PHE A 81 -2.013 18.490 2.432 1.00 16.12 C +ATOM 607 O PHE A 81 -2.319 18.329 1.243 1.00 18.28 O +ATOM 608 CB PHE A 81 -2.658 16.496 3.797 1.00 17.16 C +ATOM 609 CG PHE A 81 -2.889 16.086 5.219 1.00 18.09 C +ATOM 610 CD1 PHE A 81 -2.041 16.528 6.222 1.00 18.98 C +ATOM 611 CD2 PHE A 81 -3.894 15.191 5.539 1.00 21.62 C +ATOM 612 CE1 PHE A 81 -2.175 16.083 7.526 1.00 20.66 C +ATOM 613 CE2 PHE A 81 -4.042 14.725 6.842 1.00 21.52 C +ATOM 614 CZ PHE A 81 -3.179 15.175 7.838 1.00 21.98 C +ATOM 615 N SER A 82 -0.902 19.116 2.819 1.00 18.91 N +ATOM 616 CA SER A 82 0.172 19.423 1.866 1.00 18.49 C +ATOM 617 C SER A 82 0.902 18.145 1.369 1.00 18.28 C +ATOM 618 O SER A 82 0.563 17.048 1.833 1.00 14.94 O +ATOM 619 CB SER A 82 1.167 20.433 2.473 1.00 15.55 C +ATOM 620 OG SER A 82 1.838 19.934 3.619 1.00 17.90 O +ATOM 621 N ASP A 83 1.905 18.320 0.485 1.00 18.71 N +ATOM 622 CA ASP A 83 2.502 17.271 -0.382 1.00 19.05 C +ATOM 623 C ASP A 83 3.609 16.565 0.446 1.00 22.91 C +ATOM 624 O ASP A 83 4.459 15.901 -0.139 1.00 31.07 O +ATOM 625 CB ASP A 83 3.055 17.865 -1.784 1.00 14.67 C +ATOM 626 CG ASP A 83 2.583 17.019 -3.112 1.00 15.68 C +ATOM 627 OD1 ASP A 83 2.186 15.879 -2.871 1.00 27.27 O +ATOM 628 OD2 ASP A 83 2.541 17.409 -4.338 1.00 2.00 O +ATOM 629 N GLY A 84 3.598 16.694 1.789 1.00 19.68 N +ATOM 630 CA GLY A 84 4.375 15.784 2.657 1.00 18.03 C +ATOM 631 C GLY A 84 5.839 16.111 3.047 1.00 19.91 C +ATOM 632 O GLY A 84 6.717 16.163 2.179 1.00 18.49 O +ATOM 633 N TYR A 85 6.145 16.274 4.342 1.00 17.46 N +ATOM 634 CA TYR A 85 7.420 16.908 4.725 1.00 16.64 C +ATOM 635 C TYR A 85 8.400 16.185 5.648 1.00 17.65 C +ATOM 636 O TYR A 85 9.498 16.691 5.879 1.00 17.11 O +ATOM 637 CB TYR A 85 7.192 18.345 5.267 1.00 16.44 C +ATOM 638 CG TYR A 85 6.573 18.466 6.661 1.00 14.23 C +ATOM 639 CD1 TYR A 85 7.346 18.337 7.812 1.00 10.47 C +ATOM 640 CD2 TYR A 85 5.204 18.686 6.819 1.00 13.11 C +ATOM 641 CE1 TYR A 85 6.772 18.417 9.083 1.00 10.15 C +ATOM 642 CE2 TYR A 85 4.623 18.770 8.090 1.00 12.51 C +ATOM 643 CZ TYR A 85 5.413 18.635 9.210 1.00 12.35 C +ATOM 644 OH TYR A 85 4.813 18.686 10.447 1.00 13.50 O +ATOM 645 N TYR A 86 8.020 15.038 6.202 1.00 17.68 N +ATOM 646 CA TYR A 86 8.908 14.293 7.099 1.00 17.26 C +ATOM 647 C TYR A 86 8.429 12.840 7.183 1.00 13.37 C +ATOM 648 O TYR A 86 7.254 12.599 7.379 1.00 13.51 O +ATOM 649 CB TYR A 86 8.929 14.954 8.498 1.00 15.03 C +ATOM 650 CG TYR A 86 9.840 14.275 9.515 1.00 17.07 C +ATOM 651 CD1 TYR A 86 9.399 13.153 10.237 1.00 17.69 C +ATOM 652 CD2 TYR A 86 11.174 14.668 9.669 1.00 16.99 C +ATOM 653 CE1 TYR A 86 10.266 12.418 11.050 1.00 18.01 C +ATOM 654 CE2 TYR A 86 12.048 13.940 10.495 1.00 16.50 C +ATOM 655 CZ TYR A 86 11.594 12.804 11.168 1.00 17.92 C +ATOM 656 OH TYR A 86 12.469 12.005 11.867 1.00 15.77 O +ATOM 657 N LYS A 87 9.319 11.887 6.940 1.00 13.85 N +ATOM 658 CA LYS A 87 8.947 10.468 7.013 1.00 20.42 C +ATOM 659 C LYS A 87 9.188 9.878 8.392 1.00 14.52 C +ATOM 660 O LYS A 87 10.315 9.800 8.873 1.00 16.32 O +ATOM 661 CB LYS A 87 9.692 9.610 5.965 1.00 24.26 C +ATOM 662 CG LYS A 87 10.608 10.364 5.028 1.00 31.47 C +ATOM 663 CD LYS A 87 9.891 10.724 3.744 1.00 36.36 C +ATOM 664 CE LYS A 87 10.705 11.700 2.876 1.00 38.13 C +ATOM 665 NZ LYS A 87 9.956 12.061 1.634 1.00 40.09 N +ATOM 666 N SER A 88 8.118 9.488 9.047 1.00 17.15 N +ATOM 667 CA SER A 88 8.222 9.005 10.412 1.00 19.35 C +ATOM 668 C SER A 88 7.768 7.548 10.542 1.00 16.11 C +ATOM 669 O SER A 88 7.692 6.822 9.546 1.00 13.45 O +ATOM 670 CB SER A 88 7.376 9.883 11.330 1.00 18.86 C +ATOM 671 OG SER A 88 7.809 9.762 12.667 1.00 19.15 O +ATOM 672 N GLY A 89 7.528 7.147 11.792 1.00 18.49 N +ATOM 673 CA GLY A 89 7.010 5.829 12.118 1.00 17.45 C +ATOM 674 C GLY A 89 6.676 5.775 13.599 1.00 18.15 C +ATOM 675 O GLY A 89 6.694 6.808 14.282 1.00 17.37 O +ATOM 676 N LEU A 90 6.421 4.567 14.098 1.00 13.93 N +ATOM 677 CA LEU A 90 6.073 4.313 15.500 1.00 16.12 C +ATOM 678 C LEU A 90 7.132 3.416 16.158 1.00 14.63 C +ATOM 679 O LEU A 90 7.616 2.480 15.542 1.00 15.13 O +ATOM 680 CB LEU A 90 4.724 3.589 15.562 1.00 17.73 C +ATOM 681 CG LEU A 90 3.417 4.386 15.612 1.00 19.84 C +ATOM 682 CD1 LEU A 90 3.580 5.758 14.967 1.00 21.96 C +ATOM 683 CD2 LEU A 90 2.323 3.584 14.925 1.00 16.96 C +ATOM 684 N LEU A 91 7.498 3.701 17.398 1.00 13.66 N +ATOM 685 CA LEU A 91 8.490 2.887 18.102 1.00 14.51 C +ATOM 686 C LEU A 91 7.968 2.511 19.505 1.00 16.92 C +ATOM 687 O LEU A 91 7.192 3.270 20.128 1.00 15.53 O +ATOM 688 CB LEU A 91 9.802 3.656 18.236 1.00 14.36 C +ATOM 689 CG LEU A 91 11.108 3.148 17.622 1.00 14.28 C +ATOM 690 CD1 LEU A 91 12.235 3.981 18.125 1.00 11.87 C +ATOM 691 CD2 LEU A 91 11.355 1.730 17.997 1.00 14.95 C +ATOM 692 N VAL A 92 8.339 1.319 19.973 1.00 16.87 N +ATOM 693 CA VAL A 92 7.943 0.858 21.307 1.00 16.16 C +ATOM 694 C VAL A 92 8.999 1.370 22.259 1.00 15.05 C +ATOM 695 O VAL A 92 10.187 1.389 21.913 1.00 17.61 O +ATOM 696 CB VAL A 92 7.882 -0.693 21.381 1.00 16.03 C +ATOM 697 CG1 VAL A 92 7.757 -1.168 22.822 1.00 13.63 C +ATOM 698 CG2 VAL A 92 6.711 -1.207 20.551 1.00 16.51 C +ATOM 699 N MET A 93 8.549 1.947 23.368 1.00 14.04 N +ATOM 700 CA MET A 93 9.437 2.264 24.473 1.00 16.24 C +ATOM 701 C MET A 93 9.015 1.505 25.738 1.00 13.71 C +ATOM 702 O MET A 93 7.851 1.508 26.117 1.00 14.01 O +ATOM 703 CB MET A 93 9.453 3.781 24.731 1.00 16.43 C +ATOM 704 CG MET A 93 10.533 4.255 25.707 1.00 16.66 C +ATOM 705 SD MET A 93 10.483 6.059 26.048 1.00 28.59 S +ATOM 706 CE MET A 93 8.863 6.228 26.752 1.00 14.52 C +ATOM 707 N VAL A 94 9.979 0.882 26.396 1.00 13.11 N +ATOM 708 CA VAL A 94 9.757 0.244 27.682 1.00 14.40 C +ATOM 709 C VAL A 94 10.807 0.736 28.688 1.00 15.74 C +ATOM 710 O VAL A 94 11.677 1.555 28.364 1.00 15.90 O +ATOM 711 CB VAL A 94 9.861 -1.308 27.572 1.00 15.44 C +ATOM 712 CG1 VAL A 94 8.776 -1.836 26.693 1.00 16.40 C +ATOM 713 CG2 VAL A 94 11.208 -1.716 27.040 1.00 12.99 C +ATOM 714 N LYS A 95 10.775 0.196 29.900 1.00 14.88 N +ATOM 715 CA LYS A 95 11.788 0.567 30.857 1.00 16.61 C +ATOM 716 C LYS A 95 13.140 -0.088 30.581 1.00 19.18 C +ATOM 717 O LYS A 95 13.233 -1.153 29.951 1.00 17.15 O +ATOM 718 CB LYS A 95 11.300 0.285 32.273 1.00 16.98 C +ATOM 719 CG LYS A 95 10.389 1.394 32.780 1.00 19.99 C +ATOM 720 CD LYS A 95 9.665 0.977 34.027 1.00 23.73 C +ATOM 721 CE LYS A 95 10.514 1.230 35.251 1.00 26.23 C +ATOM 722 NZ LYS A 95 9.749 2.032 36.241 1.00 29.56 N +ATOM 723 N ALA A 96 14.182 0.621 30.996 1.00 19.20 N +ATOM 724 CA ALA A 96 15.562 0.282 30.731 1.00 23.21 C +ATOM 725 C ALA A 96 15.838 -1.201 30.832 1.00 24.92 C +ATOM 726 O ALA A 96 16.426 -1.787 29.924 1.00 21.31 O +ATOM 727 CB ALA A 96 16.460 1.037 31.699 1.00 27.09 C +ATOM 728 N ASN A 97 15.451 -1.793 31.957 1.00 27.44 N +ATOM 729 CA ASN A 97 15.840 -3.172 32.261 1.00 32.72 C +ATOM 730 C ASN A 97 14.654 -4.129 32.105 1.00 36.92 C +ATOM 731 O ASN A 97 14.651 -5.242 32.639 1.00 36.20 O +ATOM 732 CB ASN A 97 16.433 -3.260 33.675 1.00 31.85 C +ATOM 733 CG ASN A 97 17.638 -2.336 33.872 1.00 31.70 C +ATOM 734 OD1 ASN A 97 17.662 -1.526 34.794 1.00 33.44 O +ATOM 735 ND2 ASN A 97 18.617 -2.428 32.987 1.00 32.83 N +ATOM 736 N ASN A 98 13.649 -3.676 31.357 1.00 41.07 N +ATOM 737 CA ASN A 98 12.535 -4.522 30.947 1.00 45.02 C +ATOM 738 C ASN A 98 13.080 -5.655 30.098 1.00 44.94 C +ATOM 739 O ASN A 98 13.856 -5.429 29.162 1.00 43.21 O +ATOM 740 CB ASN A 98 11.504 -3.718 30.144 1.00 47.44 C +ATOM 741 CG ASN A 98 10.377 -4.582 29.585 1.00 50.85 C +ATOM 742 OD1 ASN A 98 9.237 -4.490 30.033 1.00 51.89 O +ATOM 743 ND2 ASN A 98 10.662 -5.309 28.509 1.00 50.85 N +ATOM 744 N ASN A 99 12.415 -6.789 30.250 1.00 46.20 N +ATOM 745 CA ASN A 99 12.940 -8.103 29.907 1.00 46.17 C +ATOM 746 C ASN A 99 12.009 -8.778 28.904 1.00 44.43 C +ATOM 747 O ASN A 99 12.444 -9.465 27.981 1.00 42.55 O +ATOM 748 CB ASN A 99 12.990 -8.950 31.184 1.00 48.54 C +ATOM 749 CG ASN A 99 11.764 -8.732 32.077 1.00 47.14 C +ATOM 750 OD1 ASN A 99 11.452 -7.598 32.439 1.00 47.10 O +ATOM 751 ND2 ASN A 99 11.031 -9.798 32.362 1.00 46.02 N +ATOM 752 N ASP A 100 10.717 -8.607 29.140 1.00 40.55 N +ATOM 753 CA ASP A 100 9.690 -9.389 28.482 1.00 40.32 C +ATOM 754 C ASP A 100 9.463 -8.969 27.040 1.00 36.88 C +ATOM 755 O ASP A 100 9.039 -9.775 26.222 1.00 35.52 O +ATOM 756 CB ASP A 100 8.362 -9.301 29.261 1.00 45.67 C +ATOM 757 CG ASP A 100 8.234 -8.016 30.107 1.00 48.94 C +ATOM 758 OD1 ASP A 100 9.037 -7.837 31.046 1.00 49.55 O +ATOM 759 OD2 ASP A 100 7.282 -7.225 29.887 1.00 49.47 O +ATOM 760 N VAL A 101 9.698 -7.697 26.734 1.00 33.58 N +ATOM 761 CA VAL A 101 9.239 -7.135 25.469 1.00 31.40 C +ATOM 762 C VAL A 101 10.396 -6.897 24.514 1.00 30.72 C +ATOM 763 O VAL A 101 11.302 -6.130 24.811 1.00 28.06 O +ATOM 764 CB VAL A 101 8.445 -5.807 25.679 1.00 30.91 C +ATOM 765 CG1 VAL A 101 7.893 -5.311 24.359 1.00 29.81 C +ATOM 766 CG2 VAL A 101 7.286 -6.024 26.649 1.00 28.80 C +ATOM 767 N LYS A 102 10.330 -7.525 23.343 1.00 31.96 N +ATOM 768 CA LYS A 102 11.410 -7.446 22.360 1.00 33.44 C +ATOM 769 C LYS A 102 10.998 -6.775 21.037 1.00 31.97 C +ATOM 770 O LYS A 102 11.854 -6.539 20.194 1.00 30.06 O +ATOM 771 CB LYS A 102 11.945 -8.855 22.072 1.00 34.18 C +ATOM 772 CG LYS A 102 13.207 -9.253 22.835 1.00 36.61 C +ATOM 773 CD LYS A 102 12.928 -9.716 24.254 1.00 38.62 C +ATOM 774 CE LYS A 102 14.223 -9.870 25.043 1.00 37.76 C +ATOM 775 NZ LYS A 102 14.791 -11.215 24.837 1.00 40.36 N +ATOM 776 N SER A 103 9.819 -6.154 21.031 1.00 33.30 N +ATOM 777 CA SER A 103 8.856 -6.344 19.948 1.00 32.82 C +ATOM 778 C SER A 103 8.010 -5.169 19.426 1.00 36.60 C +ATOM 779 O SER A 103 8.544 -4.110 19.053 1.00 38.93 O +ATOM 780 CB SER A 103 7.865 -7.327 20.450 1.00 32.27 C +ATOM 781 OG SER A 103 7.043 -6.649 21.391 1.00 23.02 O +ATOM 782 N VAL A 104 6.816 -5.593 18.979 1.00 34.81 N +ATOM 783 CA VAL A 104 5.529 -4.943 19.248 1.00 33.94 C +ATOM 784 C VAL A 104 4.534 -5.936 19.886 1.00 33.73 C +ATOM 785 O VAL A 104 3.379 -5.589 20.096 1.00 34.35 O +ATOM 786 CB VAL A 104 4.823 -4.388 17.966 1.00 34.29 C +ATOM 787 CG1 VAL A 104 4.321 -2.988 18.220 1.00 34.21 C +ATOM 788 CG2 VAL A 104 5.728 -4.440 16.752 1.00 35.97 C +ATOM 789 N LYS A 105 4.920 -7.200 20.074 1.00 37.14 N +ATOM 790 CA LYS A 105 4.125 -8.103 20.932 1.00 36.39 C +ATOM 791 C LYS A 105 4.001 -7.687 22.429 1.00 36.73 C +ATOM 792 O LYS A 105 4.513 -8.340 23.357 1.00 33.06 O +ATOM 793 CB LYS A 105 4.595 -9.551 20.814 1.00 33.71 C +ATOM 794 CG LYS A 105 6.099 -9.771 20.963 1.00 35.56 C +ATOM 795 CD LYS A 105 6.497 -10.383 22.310 1.00 35.01 C +ATOM 796 CE LYS A 105 7.732 -9.707 22.875 1.00 35.02 C +ATOM 797 NZ LYS A 105 8.915 -9.997 22.028 1.00 38.59 N +ATOM 798 N ASP A 106 3.398 -6.523 22.623 1.00 35.84 N +ATOM 799 CA ASP A 106 2.473 -6.302 23.716 1.00 37.34 C +ATOM 800 C ASP A 106 1.161 -6.993 23.301 1.00 39.93 C +ATOM 801 O ASP A 106 0.181 -6.970 24.044 1.00 36.50 O +ATOM 802 CB ASP A 106 2.237 -4.799 23.879 1.00 38.61 C +ATOM 803 CG ASP A 106 3.524 -4.021 24.143 1.00 38.11 C +ATOM 804 OD1 ASP A 106 4.322 -3.853 23.196 1.00 37.08 O +ATOM 805 OD2 ASP A 106 3.713 -3.553 25.291 1.00 37.36 O +ATOM 806 N LEU A 107 1.154 -7.498 22.053 1.00 45.81 N +ATOM 807 CA LEU A 107 0.007 -8.114 21.342 1.00 47.12 C +ATOM 808 C LEU A 107 -0.573 -9.290 22.073 1.00 48.36 C +ATOM 809 O LEU A 107 -1.467 -9.953 21.566 1.00 50.29 O +ATOM 810 CB LEU A 107 0.413 -8.537 19.901 1.00 43.27 C +ATOM 811 CG LEU A 107 -0.212 -9.654 19.031 1.00 38.71 C +ATOM 812 CD1 LEU A 107 -1.580 -9.285 18.575 1.00 43.60 C +ATOM 813 CD2 LEU A 107 0.613 -9.880 17.815 1.00 33.17 C +ATOM 814 N ASP A 108 -0.027 -9.586 23.237 1.00 48.27 N +ATOM 815 CA ASP A 108 -0.750 -10.402 24.178 1.00 49.94 C +ATOM 816 C ASP A 108 -0.642 -9.769 25.534 1.00 47.00 C +ATOM 817 O ASP A 108 0.460 -9.573 26.033 1.00 45.64 O +ATOM 818 CB ASP A 108 -0.214 -11.839 24.210 1.00 54.42 C +ATOM 819 CG ASP A 108 -0.925 -12.747 23.221 1.00 55.86 C +ATOM 820 OD1 ASP A 108 -2.039 -13.236 23.520 1.00 55.10 O +ATOM 821 OD2 ASP A 108 -0.361 -12.973 22.137 1.00 55.57 O +ATOM 822 N GLY A 109 -1.748 -9.144 25.917 1.00 44.79 N +ATOM 823 CA GLY A 109 -2.048 -8.923 27.313 1.00 40.27 C +ATOM 824 C GLY A 109 -1.068 -8.036 28.036 1.00 35.98 C +ATOM 825 O GLY A 109 -0.793 -8.258 29.213 1.00 37.12 O +ATOM 826 N LYS A 110 -0.545 -7.034 27.337 1.00 32.71 N +ATOM 827 CA LYS A 110 0.260 -6.002 27.967 1.00 28.03 C +ATOM 828 C LYS A 110 -0.563 -4.726 28.095 1.00 25.61 C +ATOM 829 O LYS A 110 -1.544 -4.539 27.380 1.00 23.54 O +ATOM 830 CB LYS A 110 1.518 -5.719 27.132 1.00 31.61 C +ATOM 831 CG LYS A 110 2.836 -6.226 27.723 1.00 30.22 C +ATOM 832 CD LYS A 110 2.929 -7.748 27.712 1.00 31.33 C +ATOM 833 CE LYS A 110 4.375 -8.259 27.756 1.00 28.54 C +ATOM 834 NZ LYS A 110 4.963 -8.101 29.109 1.00 29.09 N +ATOM 835 N VAL A 111 -0.182 -3.877 29.045 1.00 23.33 N +ATOM 836 CA VAL A 111 -0.751 -2.550 29.196 1.00 18.37 C +ATOM 837 C VAL A 111 0.102 -1.559 28.410 1.00 17.24 C +ATOM 838 O VAL A 111 1.284 -1.384 28.700 1.00 18.24 O +ATOM 839 CB VAL A 111 -0.788 -2.146 30.683 1.00 16.53 C +ATOM 840 CG1 VAL A 111 -1.525 -0.829 30.863 1.00 13.35 C +ATOM 841 CG2 VAL A 111 -1.485 -3.230 31.485 1.00 18.01 C +ATOM 842 N VAL A 112 -0.481 -0.937 27.396 1.00 15.37 N +ATOM 843 CA VAL A 112 0.241 0.047 26.584 1.00 16.81 C +ATOM 844 C VAL A 112 -0.334 1.466 26.801 1.00 17.66 C +ATOM 845 O VAL A 112 -1.552 1.649 26.869 1.00 21.13 O +ATOM 846 CB VAL A 112 0.184 -0.352 25.091 1.00 14.23 C +ATOM 847 CG1 VAL A 112 0.589 0.784 24.199 1.00 16.97 C +ATOM 848 CG2 VAL A 112 1.091 -1.543 24.851 1.00 16.73 C +ATOM 849 N ALA A 113 0.539 2.424 27.088 1.00 17.91 N +ATOM 850 CA ALA A 113 0.130 3.824 27.200 1.00 18.46 C +ATOM 851 C ALA A 113 0.387 4.561 25.901 1.00 17.78 C +ATOM 852 O ALA A 113 1.413 4.373 25.241 1.00 15.06 O +ATOM 853 CB ALA A 113 0.862 4.519 28.333 1.00 16.92 C +ATOM 854 N VAL A 114 -0.600 5.359 25.520 1.00 20.07 N +ATOM 855 CA VAL A 114 -0.555 6.178 24.317 1.00 15.81 C +ATOM 856 C VAL A 114 -1.172 7.555 24.623 1.00 15.67 C +ATOM 857 O VAL A 114 -1.674 7.812 25.728 1.00 12.71 O +ATOM 858 CB VAL A 114 -1.331 5.496 23.128 1.00 15.98 C +ATOM 859 CG1 VAL A 114 -0.610 4.198 22.683 1.00 14.39 C +ATOM 860 CG2 VAL A 114 -2.778 5.205 23.523 1.00 13.83 C +ATOM 861 N LYS A 115 -1.119 8.423 23.616 1.00 15.80 N +ATOM 862 CA LYS A 115 -1.619 9.783 23.670 1.00 13.17 C +ATOM 863 C LYS A 115 -2.935 9.832 22.887 1.00 9.87 C +ATOM 864 O LYS A 115 -3.009 9.355 21.752 1.00 12.63 O +ATOM 865 CB LYS A 115 -0.573 10.702 23.037 1.00 11.41 C +ATOM 866 CG LYS A 115 -1.061 12.094 22.674 1.00 14.27 C +ATOM 867 CD LYS A 115 0.096 12.952 22.192 1.00 14.04 C +ATOM 868 CE LYS A 115 -0.363 14.280 21.623 1.00 14.00 C +ATOM 869 NZ LYS A 115 0.785 15.135 21.331 1.00 11.16 N +ATOM 870 N SER A 116 -3.980 10.340 23.511 1.00 10.33 N +ATOM 871 CA SER A 116 -5.284 10.423 22.862 1.00 14.56 C +ATOM 872 C SER A 116 -5.233 11.153 21.527 1.00 16.19 C +ATOM 873 O SER A 116 -4.494 12.141 21.368 1.00 18.44 O +ATOM 874 CB SER A 116 -6.271 11.138 23.776 1.00 15.74 C +ATOM 875 OG SER A 116 -6.222 10.585 25.074 1.00 21.97 O +ATOM 876 N GLY A 117 -6.020 10.660 20.573 1.00 15.29 N +ATOM 877 CA GLY A 117 -6.239 11.379 19.328 1.00 13.44 C +ATOM 878 C GLY A 117 -5.228 11.069 18.249 1.00 12.50 C +ATOM 879 O GLY A 117 -5.406 11.464 17.097 1.00 10.56 O +ATOM 880 N THR A 118 -4.202 10.300 18.602 1.00 13.45 N +ATOM 881 CA THR A 118 -3.104 10.048 17.687 1.00 12.58 C +ATOM 882 C THR A 118 -3.218 8.679 17.025 1.00 15.85 C +ATOM 883 O THR A 118 -3.913 7.774 17.537 1.00 16.96 O +ATOM 884 CB THR A 118 -1.737 10.148 18.405 1.00 14.94 C +ATOM 885 OG1 THR A 118 -1.552 9.009 19.276 1.00 17.84 O +ATOM 886 CG2 THR A 118 -1.669 11.437 19.215 1.00 9.77 C +ATOM 887 N GLY A 119 -2.378 8.490 16.007 1.00 15.33 N +ATOM 888 CA GLY A 119 -2.384 7.276 15.226 1.00 17.38 C +ATOM 889 C GLY A 119 -1.811 6.137 16.033 1.00 15.82 C +ATOM 890 O GLY A 119 -1.841 4.993 15.597 1.00 13.64 O +ATOM 891 N SER A 120 -1.225 6.463 17.181 1.00 17.09 N +ATOM 892 CA SER A 120 -0.711 5.437 18.087 1.00 19.72 C +ATOM 893 C SER A 120 -1.859 4.582 18.628 1.00 18.81 C +ATOM 894 O SER A 120 -1.734 3.359 18.665 1.00 17.39 O +ATOM 895 CB SER A 120 0.094 6.083 19.231 1.00 19.39 C +ATOM 896 OG SER A 120 1.234 6.797 18.727 1.00 16.68 O +ATOM 897 N VAL A 121 -3.019 5.213 18.851 1.00 19.13 N +ATOM 898 CA VAL A 121 -4.252 4.522 19.253 1.00 17.33 C +ATOM 899 C VAL A 121 -4.834 3.679 18.105 1.00 19.81 C +ATOM 900 O VAL A 121 -5.258 2.519 18.313 1.00 19.88 O +ATOM 901 CB VAL A 121 -5.366 5.503 19.724 1.00 17.59 C +ATOM 902 CG1 VAL A 121 -6.583 4.696 20.193 1.00 16.12 C +ATOM 903 CG2 VAL A 121 -4.871 6.401 20.881 1.00 13.91 C +ATOM 904 N ASP A 122 -4.925 4.282 16.922 1.00 17.38 N +ATOM 905 CA ASP A 122 -5.282 3.553 15.708 1.00 19.85 C +ATOM 906 C ASP A 122 -4.461 2.279 15.584 1.00 20.29 C +ATOM 907 O ASP A 122 -5.006 1.178 15.462 1.00 18.08 O +ATOM 908 CB ASP A 122 -5.030 4.408 14.459 1.00 25.88 C +ATOM 909 CG ASP A 122 -5.945 5.607 14.367 1.00 28.78 C +ATOM 910 OD1 ASP A 122 -6.884 5.714 15.185 1.00 28.75 O +ATOM 911 OD2 ASP A 122 -5.689 6.470 13.494 1.00 31.36 O +ATOM 912 N TYR A 123 -3.144 2.441 15.590 1.00 18.26 N +ATOM 913 CA TYR A 123 -2.249 1.323 15.355 1.00 17.88 C +ATOM 914 C TYR A 123 -2.403 0.241 16.421 1.00 18.27 C +ATOM 915 O TYR A 123 -2.546 -0.921 16.088 1.00 20.28 O +ATOM 916 CB TYR A 123 -0.792 1.792 15.284 1.00 17.10 C +ATOM 917 CG TYR A 123 0.167 0.677 14.896 1.00 18.17 C +ATOM 918 CD1 TYR A 123 0.459 0.410 13.559 1.00 17.92 C +ATOM 919 CD2 TYR A 123 0.781 -0.110 15.871 1.00 18.06 C +ATOM 920 CE1 TYR A 123 1.347 -0.597 13.209 1.00 19.14 C +ATOM 921 CE2 TYR A 123 1.667 -1.120 15.530 1.00 19.68 C +ATOM 922 CZ TYR A 123 1.956 -1.352 14.200 1.00 19.65 C +ATOM 923 OH TYR A 123 2.927 -2.275 13.877 1.00 22.74 O +ATOM 924 N ALA A 124 -2.340 0.623 17.694 1.00 17.96 N +ATOM 925 CA ALA A 124 -2.541 -0.295 18.812 1.00 17.02 C +ATOM 926 C ALA A 124 -3.869 -1.063 18.753 1.00 20.63 C +ATOM 927 O ALA A 124 -3.925 -2.247 19.111 1.00 21.57 O +ATOM 928 CB ALA A 124 -2.441 0.460 20.123 1.00 14.17 C +ATOM 929 N LYS A 125 -4.941 -0.395 18.335 1.00 20.24 N +ATOM 930 CA LYS A 125 -6.250 -1.046 18.200 1.00 20.98 C +ATOM 931 C LYS A 125 -6.214 -2.120 17.124 1.00 19.41 C +ATOM 932 O LYS A 125 -6.682 -3.235 17.327 1.00 20.78 O +ATOM 933 CB LYS A 125 -7.330 -0.023 17.824 1.00 22.64 C +ATOM 934 CG LYS A 125 -7.977 0.673 19.003 1.00 26.79 C +ATOM 935 CD LYS A 125 -9.254 1.385 18.586 1.00 28.77 C +ATOM 936 CE LYS A 125 -10.016 1.917 19.815 1.00 30.38 C +ATOM 937 NZ LYS A 125 -9.295 3.053 20.510 1.00 30.16 N +ATOM 938 N ALA A 126 -5.599 -1.782 15.997 1.00 18.08 N +ATOM 939 CA ALA A 126 -5.733 -2.553 14.780 1.00 20.44 C +ATOM 940 C ALA A 126 -4.746 -3.710 14.756 1.00 20.21 C +ATOM 941 O ALA A 126 -4.891 -4.646 13.975 1.00 21.26 O +ATOM 942 CB ALA A 126 -5.510 -1.642 13.571 1.00 19.26 C +ATOM 943 N ASN A 127 -3.734 -3.637 15.606 1.00 21.19 N +ATOM 944 CA ASN A 127 -2.575 -4.490 15.429 1.00 23.43 C +ATOM 945 C ASN A 127 -2.139 -5.241 16.651 1.00 22.54 C +ATOM 946 O ASN A 127 -1.261 -6.089 16.537 1.00 26.84 O +ATOM 947 CB ASN A 127 -1.384 -3.688 14.888 1.00 26.38 C +ATOM 948 CG ASN A 127 -1.681 -3.051 13.539 1.00 28.28 C +ATOM 949 OD1 ASN A 127 -1.827 -1.828 13.425 1.00 32.30 O +ATOM 950 ND2 ASN A 127 -1.848 -3.880 12.525 1.00 30.81 N +ATOM 951 N ILE A 128 -2.704 -4.915 17.818 1.00 20.75 N +ATOM 952 CA ILE A 128 -2.220 -5.459 19.094 1.00 18.79 C +ATOM 953 C ILE A 128 -3.375 -5.930 19.972 1.00 20.87 C +ATOM 954 O ILE A 128 -4.398 -5.261 20.099 1.00 17.85 O +ATOM 955 CB ILE A 128 -1.375 -4.403 19.875 1.00 19.24 C +ATOM 956 CG1 ILE A 128 -0.145 -3.996 19.063 1.00 17.81 C +ATOM 957 CG2 ILE A 128 -0.895 -4.955 21.190 1.00 17.43 C +ATOM 958 CD1 ILE A 128 0.679 -2.904 19.720 1.00 18.33 C +ATOM 959 N LYS A 129 -3.231 -7.105 20.565 1.00 23.22 N +ATOM 960 CA LYS A 129 -4.232 -7.564 21.522 1.00 26.28 C +ATOM 961 C LYS A 129 -3.838 -7.179 22.949 1.00 26.59 C +ATOM 962 O LYS A 129 -3.343 -8.017 23.709 1.00 26.65 O +ATOM 963 CB LYS A 129 -4.415 -9.081 21.414 1.00 27.65 C +ATOM 964 CG LYS A 129 -5.126 -9.546 20.154 1.00 30.98 C +ATOM 965 CD LYS A 129 -5.579 -10.979 20.330 1.00 35.50 C +ATOM 966 CE LYS A 129 -6.503 -11.100 21.537 1.00 37.99 C +ATOM 967 NZ LYS A 129 -6.587 -12.479 22.094 1.00 41.44 N +ATOM 968 N THR A 130 -4.003 -5.898 23.288 1.00 28.57 N +ATOM 969 CA THR A 130 -3.576 -5.377 24.585 1.00 28.84 C +ATOM 970 C THR A 130 -4.538 -5.837 25.667 1.00 30.45 C +ATOM 971 O THR A 130 -5.751 -5.808 25.468 1.00 31.10 O +ATOM 972 CB THR A 130 -3.561 -3.827 24.611 1.00 27.01 C +ATOM 973 OG1 THR A 130 -4.729 -3.329 23.956 1.00 24.48 O +ATOM 974 CG2 THR A 130 -2.321 -3.281 23.941 1.00 27.03 C +ATOM 975 N LYS A 131 -4.005 -6.102 26.854 1.00 32.19 N +ATOM 976 CA LYS A 131 -4.842 -6.313 28.030 1.00 32.71 C +ATOM 977 C LYS A 131 -5.516 -5.008 28.418 1.00 32.16 C +ATOM 978 O LYS A 131 -6.577 -5.030 29.043 1.00 33.10 O +ATOM 979 CB LYS A 131 -4.007 -6.820 29.211 1.00 35.27 C +ATOM 980 CG LYS A 131 -4.739 -6.860 30.556 1.00 38.66 C +ATOM 981 CD LYS A 131 -3.763 -6.643 31.717 1.00 43.25 C +ATOM 982 CE LYS A 131 -4.469 -6.261 33.028 1.00 46.76 C +ATOM 983 NZ LYS A 131 -5.123 -4.913 32.990 1.00 49.48 N +ATOM 984 N ASP A 132 -4.861 -3.887 28.118 1.00 29.12 N +ATOM 985 CA ASP A 132 -5.265 -2.571 28.628 1.00 28.76 C +ATOM 986 C ASP A 132 -4.585 -1.520 27.754 1.00 27.80 C +ATOM 987 O ASP A 132 -3.449 -1.712 27.326 1.00 27.80 O +ATOM 988 CB ASP A 132 -4.773 -2.423 30.069 1.00 31.31 C +ATOM 989 CG ASP A 132 -5.577 -1.420 30.889 1.00 32.13 C +ATOM 990 OD1 ASP A 132 -6.015 -0.383 30.356 1.00 31.83 O +ATOM 991 OD2 ASP A 132 -5.639 -1.613 32.126 1.00 33.97 O +ATOM 992 N LEU A 133 -5.258 -0.418 27.469 1.00 26.45 N +ATOM 993 CA LEU A 133 -4.605 0.637 26.714 1.00 27.37 C +ATOM 994 C LEU A 133 -4.963 1.989 27.288 1.00 26.96 C +ATOM 995 O LEU A 133 -6.138 2.330 27.363 1.00 27.97 O +ATOM 996 CB LEU A 133 -4.979 0.548 25.232 1.00 26.28 C +ATOM 997 CG LEU A 133 -5.575 1.769 24.538 1.00 28.15 C +ATOM 998 CD1 LEU A 133 -5.086 1.873 23.098 1.00 26.64 C +ATOM 999 CD2 LEU A 133 -7.096 1.653 24.604 1.00 29.13 C +ATOM 1000 N ARG A 134 -3.959 2.705 27.786 1.00 27.64 N +ATOM 1001 CA ARG A 134 -4.179 3.970 28.503 1.00 26.43 C +ATOM 1002 C ARG A 134 -3.898 5.158 27.618 1.00 22.42 C +ATOM 1003 O ARG A 134 -2.824 5.248 27.034 1.00 20.96 O +ATOM 1004 CB ARG A 134 -3.280 4.067 29.725 1.00 30.36 C +ATOM 1005 CG ARG A 134 -3.879 3.462 30.962 1.00 33.41 C +ATOM 1006 CD ARG A 134 -3.622 1.992 30.981 1.00 34.85 C +ATOM 1007 NE ARG A 134 -2.956 1.627 32.218 1.00 39.41 N +ATOM 1008 CZ ARG A 134 -3.534 0.923 33.184 1.00 41.07 C +ATOM 1009 NH1 ARG A 134 -4.815 0.592 33.082 1.00 40.78 N +ATOM 1010 NH2 ARG A 134 -2.829 0.573 34.256 1.00 43.26 N +ATOM 1011 N GLN A 135 -4.892 6.026 27.471 1.00 19.05 N +ATOM 1012 CA GLN A 135 -4.765 7.213 26.633 1.00 17.42 C +ATOM 1013 C GLN A 135 -4.622 8.418 27.532 1.00 17.32 C +ATOM 1014 O GLN A 135 -5.145 8.423 28.648 1.00 18.89 O +ATOM 1015 CB GLN A 135 -5.999 7.369 25.756 1.00 21.81 C +ATOM 1016 CG GLN A 135 -6.177 6.222 24.790 1.00 24.07 C +ATOM 1017 CD GLN A 135 -7.306 6.442 23.816 1.00 25.79 C +ATOM 1018 OE1 GLN A 135 -7.244 7.315 22.950 1.00 26.10 O +ATOM 1019 NE2 GLN A 135 -8.328 5.609 23.913 1.00 26.01 N +ATOM 1020 N PHE A 136 -3.753 9.335 27.135 1.00 16.38 N +ATOM 1021 CA PHE A 136 -3.489 10.542 27.905 1.00 17.52 C +ATOM 1022 C PHE A 136 -3.457 11.718 26.946 1.00 19.02 C +ATOM 1023 O PHE A 136 -3.203 11.535 25.759 1.00 21.29 O +ATOM 1024 CB PHE A 136 -2.150 10.425 28.626 1.00 17.32 C +ATOM 1025 CG PHE A 136 -2.126 9.351 29.675 1.00 18.98 C +ATOM 1026 CD1 PHE A 136 -2.665 9.583 30.935 1.00 18.16 C +ATOM 1027 CD2 PHE A 136 -1.703 8.062 29.358 1.00 19.31 C +ATOM 1028 CE1 PHE A 136 -2.797 8.551 31.858 1.00 17.22 C +ATOM 1029 CE2 PHE A 136 -1.838 7.027 30.278 1.00 17.90 C +ATOM 1030 CZ PHE A 136 -2.388 7.277 31.527 1.00 15.67 C +ATOM 1031 N PRO A 137 -3.942 12.890 27.386 1.00 21.92 N +ATOM 1032 CA PRO A 137 -3.889 14.113 26.576 1.00 20.84 C +ATOM 1033 C PRO A 137 -2.520 14.442 25.987 1.00 19.88 C +ATOM 1034 O PRO A 137 -2.444 14.840 24.835 1.00 19.47 O +ATOM 1035 CB PRO A 137 -4.377 15.196 27.530 1.00 21.99 C +ATOM 1036 CG PRO A 137 -4.498 14.512 28.883 1.00 21.80 C +ATOM 1037 CD PRO A 137 -4.762 13.091 28.583 1.00 19.69 C +ATOM 1038 N ASN A 138 -1.442 14.092 26.686 1.00 18.05 N +ATOM 1039 CA ASN A 138 -0.101 14.347 26.151 1.00 18.13 C +ATOM 1040 C ASN A 138 0.842 13.172 26.423 1.00 18.67 C +ATOM 1041 O ASN A 138 0.568 12.367 27.317 1.00 18.81 O +ATOM 1042 CB ASN A 138 0.465 15.630 26.764 1.00 18.75 C +ATOM 1043 CG ASN A 138 -0.247 16.888 26.265 1.00 17.31 C +ATOM 1044 OD1 ASN A 138 0.038 17.395 25.178 1.00 19.42 O +ATOM 1045 ND2 ASN A 138 -1.137 17.417 27.082 1.00 18.33 N +ATOM 1046 N ILE A 139 1.960 13.074 25.696 1.00 21.00 N +ATOM 1047 CA ILE A 139 2.867 11.915 25.882 1.00 20.52 C +ATOM 1048 C ILE A 139 3.655 11.865 27.192 1.00 18.95 C +ATOM 1049 O ILE A 139 4.023 10.770 27.622 1.00 12.81 O +ATOM 1050 CB ILE A 139 3.925 11.689 24.737 1.00 22.24 C +ATOM 1051 CG1 ILE A 139 4.149 12.954 23.940 1.00 20.37 C +ATOM 1052 CG2 ILE A 139 3.581 10.440 23.926 1.00 22.32 C +ATOM 1053 CD1 ILE A 139 5.234 13.736 24.532 1.00 20.28 C +ATOM 1054 N ASP A 140 3.967 13.026 27.782 1.00 16.61 N +ATOM 1055 CA ASP A 140 4.602 13.078 29.100 1.00 20.28 C +ATOM 1056 C ASP A 140 3.791 12.281 30.148 1.00 18.21 C +ATOM 1057 O ASP A 140 4.350 11.533 30.964 1.00 17.15 O +ATOM 1058 CB ASP A 140 4.772 14.547 29.555 1.00 28.59 C +ATOM 1059 CG ASP A 140 5.711 14.698 30.767 1.00 35.59 C +ATOM 1060 OD1 ASP A 140 5.741 13.792 31.626 1.00 38.76 O +ATOM 1061 OD2 ASP A 140 6.434 15.724 30.872 1.00 38.02 O +ATOM 1062 N ASN A 141 2.471 12.357 30.066 1.00 17.27 N +ATOM 1063 CA ASN A 141 1.628 11.569 30.956 1.00 18.84 C +ATOM 1064 C ASN A 141 1.874 10.078 30.756 1.00 19.37 C +ATOM 1065 O ASN A 141 1.753 9.295 31.688 1.00 19.73 O +ATOM 1066 CB ASN A 141 0.151 11.841 30.702 1.00 19.93 C +ATOM 1067 CG ASN A 141 -0.191 13.288 30.762 1.00 20.35 C +ATOM 1068 OD1 ASN A 141 -1.107 13.744 30.059 1.00 23.26 O +ATOM 1069 ND2 ASN A 141 0.499 14.029 31.612 1.00 17.86 N +ATOM 1070 N ALA A 142 2.140 9.691 29.511 1.00 21.61 N +ATOM 1071 CA ALA A 142 2.328 8.290 29.139 1.00 19.70 C +ATOM 1072 C ALA A 142 3.713 7.761 29.545 1.00 19.20 C +ATOM 1073 O ALA A 142 3.816 6.656 30.094 1.00 17.37 O +ATOM 1074 CB ALA A 142 2.093 8.122 27.618 1.00 18.53 C +ATOM 1075 N TYR A 143 4.756 8.568 29.323 1.00 17.23 N +ATOM 1076 CA TYR A 143 6.107 8.303 29.843 1.00 15.98 C +ATOM 1077 C TYR A 143 6.050 8.042 31.350 1.00 17.97 C +ATOM 1078 O TYR A 143 6.730 7.146 31.862 1.00 17.04 O +ATOM 1079 CB TYR A 143 7.045 9.509 29.634 1.00 17.73 C +ATOM 1080 CG TYR A 143 7.255 9.973 28.208 1.00 20.52 C +ATOM 1081 CD1 TYR A 143 7.280 9.067 27.150 1.00 20.19 C +ATOM 1082 CD2 TYR A 143 7.479 11.325 27.924 1.00 21.54 C +ATOM 1083 CE1 TYR A 143 7.530 9.491 25.833 1.00 21.33 C +ATOM 1084 CE2 TYR A 143 7.713 11.762 26.614 1.00 23.62 C +ATOM 1085 CZ TYR A 143 7.738 10.835 25.569 1.00 22.52 C +ATOM 1086 OH TYR A 143 7.961 11.256 24.275 1.00 21.81 O +ATOM 1087 N MET A 144 5.360 8.928 32.072 1.00 17.36 N +ATOM 1088 CA MET A 144 5.261 8.815 33.514 1.00 18.10 C +ATOM 1089 C MET A 144 4.485 7.577 33.951 1.00 15.43 C +ATOM 1090 O MET A 144 4.825 6.972 34.953 1.00 17.82 O +ATOM 1091 CB MET A 144 4.621 10.077 34.110 1.00 21.84 C +ATOM 1092 CG MET A 144 5.487 11.314 33.966 1.00 24.56 C +ATOM 1093 SD MET A 144 4.967 12.736 34.960 1.00 28.80 S +ATOM 1094 CE MET A 144 6.550 13.473 35.150 1.00 22.86 C +ATOM 1095 N GLU A 145 3.449 7.199 33.213 1.00 15.09 N +ATOM 1096 CA GLU A 145 2.791 5.914 33.453 1.00 18.60 C +ATOM 1097 C GLU A 145 3.753 4.725 33.338 1.00 16.20 C +ATOM 1098 O GLU A 145 3.737 3.818 34.172 1.00 15.10 O +ATOM 1099 CB GLU A 145 1.644 5.731 32.474 1.00 23.08 C +ATOM 1100 CG GLU A 145 0.396 6.417 32.925 1.00 28.34 C +ATOM 1101 CD GLU A 145 -0.350 5.629 33.976 1.00 29.74 C +ATOM 1102 OE1 GLU A 145 -0.965 4.588 33.646 1.00 30.60 O +ATOM 1103 OE2 GLU A 145 -0.400 6.106 35.122 1.00 31.69 O +ATOM 1104 N LEU A 146 4.653 4.779 32.357 1.00 16.79 N +ATOM 1105 CA LEU A 146 5.679 3.754 32.195 1.00 18.37 C +ATOM 1106 C LEU A 146 6.669 3.804 33.347 1.00 17.85 C +ATOM 1107 O LEU A 146 6.949 2.790 33.975 1.00 17.75 O +ATOM 1108 CB LEU A 146 6.420 3.944 30.865 1.00 21.28 C +ATOM 1109 CG LEU A 146 7.467 2.883 30.447 1.00 22.06 C +ATOM 1110 CD1 LEU A 146 6.923 1.475 30.643 1.00 23.30 C +ATOM 1111 CD2 LEU A 146 7.851 3.090 28.992 1.00 20.95 C +ATOM 1112 N GLY A 147 7.170 5.002 33.637 1.00 17.84 N +ATOM 1113 CA GLY A 147 8.139 5.187 34.701 1.00 17.60 C +ATOM 1114 C GLY A 147 7.660 4.775 36.087 1.00 19.60 C +ATOM 1115 O GLY A 147 8.458 4.294 36.899 1.00 20.92 O +ATOM 1116 N THR A 148 6.378 4.953 36.381 1.00 18.63 N +ATOM 1117 CA THR A 148 5.872 4.568 37.689 1.00 21.01 C +ATOM 1118 C THR A 148 5.318 3.134 37.708 1.00 22.02 C +ATOM 1119 O THR A 148 4.724 2.699 38.718 1.00 19.69 O +ATOM 1120 CB THR A 148 4.793 5.559 38.197 1.00 20.73 C +ATOM 1121 OG1 THR A 148 3.737 5.670 37.236 1.00 19.61 O +ATOM 1122 CG2 THR A 148 5.407 6.930 38.464 1.00 19.30 C +ATOM 1123 N ASN A 149 5.568 2.404 36.611 1.00 21.84 N +ATOM 1124 CA ASN A 149 5.246 0.971 36.455 1.00 22.46 C +ATOM 1125 C ASN A 149 3.753 0.671 36.356 1.00 23.69 C +ATOM 1126 O ASN A 149 3.279 -0.332 36.916 1.00 22.17 O +ATOM 1127 CB ASN A 149 5.831 0.133 37.598 1.00 23.65 C +ATOM 1128 CG ASN A 149 7.328 0.219 37.670 1.00 25.80 C +ATOM 1129 OD1 ASN A 149 8.016 0.115 36.654 1.00 26.12 O +ATOM 1130 ND2 ASN A 149 7.839 0.580 38.845 1.00 28.98 N +ATOM 1131 N ARG A 150 3.012 1.562 35.690 1.00 23.18 N +ATOM 1132 CA ARG A 150 1.570 1.410 35.522 1.00 23.66 C +ATOM 1133 C ARG A 150 1.205 1.126 34.072 1.00 22.12 C +ATOM 1134 O ARG A 150 0.017 1.012 33.732 1.00 25.43 O +ATOM 1135 CB ARG A 150 0.844 2.658 36.023 1.00 27.40 C +ATOM 1136 CG ARG A 150 0.810 2.753 37.525 1.00 32.23 C +ATOM 1137 CD ARG A 150 0.762 4.186 37.973 1.00 39.90 C +ATOM 1138 NE ARG A 150 1.435 4.366 39.257 1.00 48.76 N +ATOM 1139 CZ ARG A 150 0.814 4.639 40.404 1.00 51.49 C +ATOM 1140 NH1 ARG A 150 -0.518 4.656 40.459 1.00 55.00 N +ATOM 1141 NH2 ARG A 150 1.522 4.856 41.508 1.00 52.42 N +ATOM 1142 N ALA A 151 2.224 1.066 33.214 1.00 19.74 N +ATOM 1143 CA ALA A 151 2.096 0.487 31.881 1.00 16.91 C +ATOM 1144 C ALA A 151 3.376 -0.279 31.563 1.00 16.73 C +ATOM 1145 O ALA A 151 4.393 -0.077 32.213 1.00 17.68 O +ATOM 1146 CB ALA A 151 1.849 1.579 30.835 1.00 16.95 C +ATOM 1147 N ASP A 152 3.290 -1.208 30.614 1.00 17.08 N +ATOM 1148 CA ASP A 152 4.428 -2.017 30.165 1.00 17.62 C +ATOM 1149 C ASP A 152 5.296 -1.293 29.142 1.00 14.75 C +ATOM 1150 O ASP A 152 6.514 -1.512 29.052 1.00 18.53 O +ATOM 1151 CB ASP A 152 3.914 -3.301 29.521 1.00 20.08 C +ATOM 1152 CG ASP A 152 3.182 -4.165 30.485 1.00 21.32 C +ATOM 1153 OD1 ASP A 152 3.641 -4.270 31.632 1.00 22.92 O +ATOM 1154 OD2 ASP A 152 2.147 -4.748 30.114 1.00 24.90 O +ATOM 1155 N ALA A 153 4.628 -0.558 28.267 1.00 16.46 N +ATOM 1156 CA ALA A 153 5.282 0.069 27.128 1.00 14.89 C +ATOM 1157 C ALA A 153 4.547 1.355 26.832 1.00 13.89 C +ATOM 1158 O ALA A 153 3.427 1.572 27.317 1.00 13.18 O +ATOM 1159 CB ALA A 153 5.225 -0.849 25.909 1.00 11.36 C +ATOM 1160 N VAL A 154 5.249 2.259 26.167 1.00 13.51 N +ATOM 1161 CA VAL A 154 4.623 3.380 25.493 1.00 12.84 C +ATOM 1162 C VAL A 154 4.853 3.129 24.002 1.00 13.64 C +ATOM 1163 O VAL A 154 5.815 2.448 23.637 1.00 14.96 O +ATOM 1164 CB VAL A 154 5.253 4.742 25.944 1.00 9.61 C +ATOM 1165 CG1 VAL A 154 4.781 5.869 25.038 1.00 10.33 C +ATOM 1166 CG2 VAL A 154 4.832 5.062 27.368 1.00 6.81 C +ATOM 1167 N LEU A 155 3.876 3.491 23.172 1.00 12.55 N +ATOM 1168 CA LEU A 155 4.074 3.457 21.723 1.00 14.62 C +ATOM 1169 C LEU A 155 3.776 4.839 21.144 1.00 11.56 C +ATOM 1170 O LEU A 155 2.692 5.363 21.318 1.00 10.55 O +ATOM 1171 CB LEU A 155 3.179 2.387 21.031 1.00 13.91 C +ATOM 1172 CG LEU A 155 3.447 2.207 19.513 1.00 16.13 C +ATOM 1173 CD1 LEU A 155 4.373 1.019 19.274 1.00 12.86 C +ATOM 1174 CD2 LEU A 155 2.141 2.029 18.751 1.00 14.82 C +ATOM 1175 N HIS A 156 4.768 5.458 20.521 1.00 14.20 N +ATOM 1176 CA HIS A 156 4.535 6.734 19.859 1.00 16.27 C +ATOM 1177 C HIS A 156 5.576 6.945 18.793 1.00 14.65 C +ATOM 1178 O HIS A 156 6.422 6.080 18.569 1.00 14.99 O +ATOM 1179 CB HIS A 156 4.573 7.883 20.873 1.00 17.34 C +ATOM 1180 CG HIS A 156 3.847 9.119 20.420 1.00 17.14 C +ATOM 1181 ND1 HIS A 156 2.592 9.078 19.851 1.00 16.73 N +ATOM 1182 CD2 HIS A 156 4.205 10.423 20.433 1.00 16.65 C +ATOM 1183 CE1 HIS A 156 2.207 10.302 19.538 1.00 17.30 C +ATOM 1184 NE2 HIS A 156 3.168 11.138 19.882 1.00 18.76 N +ATOM 1185 N ASP A 157 5.545 8.118 18.177 1.00 12.36 N +ATOM 1186 CA ASP A 157 6.327 8.430 16.993 1.00 11.27 C +ATOM 1187 C ASP A 157 7.812 8.260 17.227 1.00 13.65 C +ATOM 1188 O ASP A 157 8.391 8.922 18.095 1.00 16.20 O +ATOM 1189 CB ASP A 157 6.032 9.868 16.553 1.00 10.79 C +ATOM 1190 CG ASP A 157 4.552 10.104 16.315 1.00 11.05 C +ATOM 1191 OD1 ASP A 157 3.699 9.718 17.137 1.00 9.27 O +ATOM 1192 OD2 ASP A 157 4.221 10.621 15.253 1.00 12.78 O +ATOM 1193 N THR A 158 8.443 7.472 16.363 1.00 12.78 N +ATOM 1194 CA THR A 158 9.883 7.258 16.374 1.00 12.54 C +ATOM 1195 C THR A 158 10.731 8.472 16.800 1.00 13.25 C +ATOM 1196 O THR A 158 11.333 8.446 17.873 1.00 10.03 O +ATOM 1197 CB THR A 158 10.325 6.724 14.996 1.00 12.23 C +ATOM 1198 OG1 THR A 158 9.633 5.501 14.755 1.00 16.02 O +ATOM 1199 CG2 THR A 158 11.832 6.458 14.941 1.00 14.57 C +ATOM 1200 N PRO A 159 10.688 9.588 16.035 1.00 13.27 N +ATOM 1201 CA PRO A 159 11.545 10.749 16.331 1.00 14.46 C +ATOM 1202 C PRO A 159 11.358 11.243 17.763 1.00 12.98 C +ATOM 1203 O PRO A 159 12.272 11.822 18.377 1.00 12.19 O +ATOM 1204 CB PRO A 159 11.073 11.812 15.335 1.00 14.27 C +ATOM 1205 CG PRO A 159 10.384 11.047 14.251 1.00 15.58 C +ATOM 1206 CD PRO A 159 9.743 9.885 14.942 1.00 12.72 C +ATOM 1207 N ASN A 160 10.137 11.061 18.257 1.00 15.28 N +ATOM 1208 CA ASN A 160 9.719 11.619 19.528 1.00 15.29 C +ATOM 1209 C ASN A 160 10.296 10.795 20.655 1.00 15.03 C +ATOM 1210 O ASN A 160 10.971 11.348 21.522 1.00 12.89 O +ATOM 1211 CB ASN A 160 8.197 11.651 19.635 1.00 14.82 C +ATOM 1212 CG ASN A 160 7.727 11.916 21.043 1.00 17.51 C +ATOM 1213 OD1 ASN A 160 7.332 10.989 21.766 1.00 19.41 O +ATOM 1214 ND2 ASN A 160 7.807 13.176 21.463 1.00 17.78 N +ATOM 1215 N ILE A 161 10.096 9.478 20.615 1.00 11.86 N +ATOM 1216 CA ILE A 161 10.617 8.627 21.691 1.00 14.88 C +ATOM 1217 C ILE A 161 12.155 8.499 21.611 1.00 12.21 C +ATOM 1218 O ILE A 161 12.846 8.516 22.632 1.00 10.50 O +ATOM 1219 CB ILE A 161 9.928 7.205 21.730 1.00 16.63 C +ATOM 1220 CG1 ILE A 161 10.363 6.361 20.546 1.00 20.75 C +ATOM 1221 CG2 ILE A 161 8.391 7.320 21.790 1.00 12.64 C +ATOM 1222 CD1 ILE A 161 11.281 5.224 20.984 1.00 23.25 C +ATOM 1223 N LEU A 162 12.672 8.685 20.403 1.00 14.62 N +ATOM 1224 CA LEU A 162 14.105 8.853 20.154 1.00 18.06 C +ATOM 1225 C LEU A 162 14.715 10.179 20.716 1.00 18.74 C +ATOM 1226 O LEU A 162 15.821 10.195 21.287 1.00 15.97 O +ATOM 1227 CB LEU A 162 14.356 8.732 18.641 1.00 16.92 C +ATOM 1228 CG LEU A 162 15.210 7.549 18.174 1.00 15.17 C +ATOM 1229 CD1 LEU A 162 14.744 6.262 18.825 1.00 18.88 C +ATOM 1230 CD2 LEU A 162 15.156 7.422 16.689 1.00 14.65 C +ATOM 1231 N TYR A 163 14.017 11.297 20.557 1.00 22.34 N +ATOM 1232 CA TYR A 163 14.549 12.540 21.111 1.00 22.65 C +ATOM 1233 C TYR A 163 14.453 12.506 22.641 1.00 23.28 C +ATOM 1234 O TYR A 163 15.424 12.818 23.329 1.00 22.31 O +ATOM 1235 CB TYR A 163 13.823 13.764 20.536 1.00 23.54 C +ATOM 1236 CG TYR A 163 14.359 15.097 21.050 1.00 24.65 C +ATOM 1237 CD1 TYR A 163 13.941 15.598 22.288 1.00 24.41 C +ATOM 1238 CD2 TYR A 163 15.320 15.832 20.326 1.00 22.53 C +ATOM 1239 CE1 TYR A 163 14.470 16.765 22.804 1.00 24.85 C +ATOM 1240 CE2 TYR A 163 15.839 17.031 20.827 1.00 20.66 C +ATOM 1241 CZ TYR A 163 15.413 17.486 22.076 1.00 25.48 C +ATOM 1242 OH TYR A 163 15.907 18.654 22.641 1.00 26.02 O +ATOM 1243 N PHE A 164 13.368 11.935 23.158 1.00 22.73 N +ATOM 1244 CA PHE A 164 13.167 11.871 24.596 1.00 23.00 C +ATOM 1245 C PHE A 164 14.178 10.955 25.308 1.00 25.17 C +ATOM 1246 O PHE A 164 14.582 11.245 26.446 1.00 25.24 O +ATOM 1247 CB PHE A 164 11.736 11.428 24.919 1.00 22.51 C +ATOM 1248 CG PHE A 164 11.541 10.989 26.346 1.00 21.99 C +ATOM 1249 CD1 PHE A 164 11.632 11.900 27.383 1.00 21.31 C +ATOM 1250 CD2 PHE A 164 11.230 9.662 26.641 1.00 23.61 C +ATOM 1251 CE1 PHE A 164 11.405 11.510 28.699 1.00 24.13 C +ATOM 1252 CE2 PHE A 164 10.999 9.256 27.955 1.00 25.42 C +ATOM 1253 CZ PHE A 164 11.084 10.181 28.989 1.00 25.19 C +ATOM 1254 N ILE A 165 14.532 9.831 24.684 1.00 20.16 N +ATOM 1255 CA ILE A 165 15.446 8.865 25.314 1.00 23.02 C +ATOM 1256 C ILE A 165 16.839 9.455 25.510 1.00 24.48 C +ATOM 1257 O ILE A 165 17.468 9.282 26.560 1.00 22.07 O +ATOM 1258 CB ILE A 165 15.594 7.572 24.477 1.00 21.92 C +ATOM 1259 CG1 ILE A 165 14.385 6.659 24.689 1.00 21.42 C +ATOM 1260 CG2 ILE A 165 16.861 6.828 24.882 1.00 23.85 C +ATOM 1261 CD1 ILE A 165 14.286 5.573 23.630 1.00 21.10 C +ATOM 1262 N LYS A 166 17.337 10.101 24.468 1.00 26.67 N +ATOM 1263 CA LYS A 166 18.710 10.558 24.479 1.00 30.37 C +ATOM 1264 C LYS A 166 18.856 11.814 25.318 1.00 29.15 C +ATOM 1265 O LYS A 166 19.903 12.021 25.933 1.00 31.04 O +ATOM 1266 CB LYS A 166 19.221 10.759 23.044 1.00 30.31 C +ATOM 1267 CG LYS A 166 19.184 12.172 22.506 1.00 30.30 C +ATOM 1268 CD LYS A 166 20.349 12.372 21.562 1.00 32.63 C +ATOM 1269 CE LYS A 166 20.209 13.644 20.769 1.00 34.22 C +ATOM 1270 NZ LYS A 166 19.312 13.413 19.622 1.00 35.96 N +ATOM 1271 N THR A 167 17.768 12.577 25.445 1.00 29.40 N +ATOM 1272 CA THR A 167 17.757 13.748 26.322 1.00 29.30 C +ATOM 1273 C THR A 167 17.133 13.420 27.679 1.00 32.48 C +ATOM 1274 O THR A 167 17.750 12.729 28.489 1.00 36.77 O +ATOM 1275 CB THR A 167 17.062 14.981 25.654 1.00 26.60 C +ATOM 1276 OG1 THR A 167 15.687 14.699 25.363 1.00 23.53 O +ATOM 1277 CG2 THR A 167 17.783 15.355 24.371 1.00 26.20 C +ATOM 1278 N ALA A 168 15.845 13.686 27.829 1.00 32.33 N +ATOM 1279 CA ALA A 168 15.205 13.609 29.131 1.00 33.67 C +ATOM 1280 C ALA A 168 15.180 12.221 29.759 1.00 34.75 C +ATOM 1281 O ALA A 168 15.222 12.102 30.978 1.00 37.38 O +ATOM 1282 CB ALA A 168 13.794 14.160 29.044 1.00 35.18 C +ATOM 1283 N GLY A 169 15.052 11.181 28.946 1.00 35.49 N +ATOM 1284 CA GLY A 169 14.626 9.899 29.474 1.00 34.71 C +ATOM 1285 C GLY A 169 15.791 8.967 29.650 1.00 37.58 C +ATOM 1286 O GLY A 169 15.616 7.768 29.880 1.00 36.32 O +ATOM 1287 N ASN A 170 16.983 9.548 29.644 1.00 40.12 N +ATOM 1288 CA ASN A 170 18.224 8.802 29.495 1.00 40.41 C +ATOM 1289 C ASN A 170 18.521 7.868 30.681 1.00 37.44 C +ATOM 1290 O ASN A 170 18.403 8.259 31.850 1.00 35.47 O +ATOM 1291 CB ASN A 170 19.375 9.794 29.263 1.00 43.62 C +ATOM 1292 CG ASN A 170 20.710 9.106 29.061 1.00 46.85 C +ATOM 1293 OD1 ASN A 170 21.709 9.466 29.692 1.00 47.40 O +ATOM 1294 ND2 ASN A 170 20.737 8.115 28.174 1.00 47.76 N +ATOM 1295 N GLY A 171 18.781 6.599 30.366 1.00 34.40 N +ATOM 1296 CA GLY A 171 19.061 5.609 31.395 1.00 31.94 C +ATOM 1297 C GLY A 171 17.834 5.042 32.089 1.00 28.95 C +ATOM 1298 O GLY A 171 17.925 4.129 32.900 1.00 27.89 O +ATOM 1299 N GLN A 172 16.681 5.626 31.827 1.00 25.96 N +ATOM 1300 CA GLN A 172 15.466 5.181 32.467 1.00 23.34 C +ATOM 1301 C GLN A 172 14.634 4.337 31.514 1.00 23.40 C +ATOM 1302 O GLN A 172 13.896 3.454 31.950 1.00 23.96 O +ATOM 1303 CB GLN A 172 14.674 6.390 32.936 1.00 30.57 C +ATOM 1304 CG GLN A 172 15.318 7.124 34.087 1.00 34.00 C +ATOM 1305 CD GLN A 172 15.316 6.300 35.363 1.00 38.29 C +ATOM 1306 OE1 GLN A 172 14.363 6.356 36.143 1.00 42.10 O +ATOM 1307 NE2 GLN A 172 16.381 5.530 35.584 1.00 39.28 N +ATOM 1308 N PHE A 173 14.881 4.510 30.217 1.00 22.41 N +ATOM 1309 CA PHE A 173 14.000 4.008 29.163 1.00 22.44 C +ATOM 1310 C PHE A 173 14.823 3.621 27.948 1.00 22.45 C +ATOM 1311 O PHE A 173 15.943 4.116 27.770 1.00 21.87 O +ATOM 1312 CB PHE A 173 12.997 5.096 28.750 1.00 20.36 C +ATOM 1313 CG PHE A 173 12.121 5.573 29.876 1.00 20.44 C +ATOM 1314 CD1 PHE A 173 11.036 4.814 30.298 1.00 17.18 C +ATOM 1315 CD2 PHE A 173 12.329 6.823 30.449 1.00 19.57 C +ATOM 1316 CE1 PHE A 173 10.166 5.288 31.257 1.00 16.83 C +ATOM 1317 CE2 PHE A 173 11.467 7.308 31.417 1.00 19.79 C +ATOM 1318 CZ PHE A 173 10.376 6.537 31.819 1.00 20.49 C +ATOM 1319 N LYS A 174 14.256 2.769 27.099 1.00 20.25 N +ATOM 1320 CA LYS A 174 14.909 2.376 25.853 1.00 19.78 C +ATOM 1321 C LYS A 174 13.872 2.037 24.796 1.00 18.14 C +ATOM 1322 O LYS A 174 12.701 1.774 25.103 1.00 18.17 O +ATOM 1323 CB LYS A 174 15.830 1.166 26.054 1.00 21.65 C +ATOM 1324 CG LYS A 174 15.077 -0.158 26.166 1.00 23.46 C +ATOM 1325 CD LYS A 174 15.926 -1.208 26.843 1.00 26.07 C +ATOM 1326 CE LYS A 174 15.101 -2.419 27.265 1.00 26.57 C +ATOM 1327 NZ LYS A 174 15.941 -3.422 28.001 1.00 27.05 N +ATOM 1328 N ALA A 175 14.291 2.180 23.549 1.00 19.02 N +ATOM 1329 CA ALA A 175 13.488 1.801 22.413 1.00 20.08 C +ATOM 1330 C ALA A 175 13.711 0.320 22.125 1.00 22.39 C +ATOM 1331 O ALA A 175 14.788 -0.237 22.375 1.00 22.58 O +ATOM 1332 CB ALA A 175 13.860 2.638 21.207 1.00 16.62 C +ATOM 1333 N VAL A 176 12.667 -0.319 21.615 1.00 21.48 N +ATOM 1334 CA VAL A 176 12.695 -1.740 21.382 1.00 18.83 C +ATOM 1335 C VAL A 176 12.259 -1.965 19.936 1.00 19.27 C +ATOM 1336 O VAL A 176 11.264 -1.401 19.477 1.00 18.30 O +ATOM 1337 CB VAL A 176 11.764 -2.452 22.414 1.00 20.90 C +ATOM 1338 CG1 VAL A 176 10.937 -3.521 21.765 1.00 19.02 C +ATOM 1339 CG2 VAL A 176 12.595 -3.024 23.533 1.00 20.69 C +ATOM 1340 N GLY A 177 13.064 -2.720 19.200 1.00 17.78 N +ATOM 1341 CA GLY A 177 12.727 -3.017 17.823 1.00 20.71 C +ATOM 1342 C GLY A 177 13.084 -1.867 16.899 1.00 24.51 C +ATOM 1343 O GLY A 177 13.936 -1.024 17.224 1.00 25.56 O +ATOM 1344 N ASP A 178 12.409 -1.819 15.752 1.00 25.01 N +ATOM 1345 CA ASP A 178 12.603 -0.751 14.782 1.00 24.45 C +ATOM 1346 C ASP A 178 11.276 -0.072 14.437 1.00 22.16 C +ATOM 1347 O ASP A 178 10.204 -0.436 14.945 1.00 20.18 O +ATOM 1348 CB ASP A 178 13.233 -1.321 13.517 1.00 26.47 C +ATOM 1349 CG ASP A 178 12.318 -2.299 12.811 1.00 27.84 C +ATOM 1350 OD1 ASP A 178 11.353 -2.793 13.437 1.00 30.54 O +ATOM 1351 OD2 ASP A 178 12.537 -2.555 11.615 1.00 30.39 O +ATOM 1352 N SER A 179 11.371 0.958 13.607 1.00 21.34 N +ATOM 1353 CA SER A 179 10.246 1.811 13.301 1.00 20.65 C +ATOM 1354 C SER A 179 9.176 1.065 12.503 1.00 21.57 C +ATOM 1355 O SER A 179 9.440 0.482 11.433 1.00 21.42 O +ATOM 1356 CB SER A 179 10.721 3.056 12.541 1.00 18.78 C +ATOM 1357 OG SER A 179 9.682 4.022 12.440 1.00 21.22 O +ATOM 1358 N LEU A 180 7.965 1.098 13.052 1.00 21.10 N +ATOM 1359 CA LEU A 180 6.782 0.495 12.452 1.00 20.75 C +ATOM 1360 C LEU A 180 6.052 1.589 11.701 1.00 22.90 C +ATOM 1361 O LEU A 180 6.295 2.770 11.941 1.00 21.09 O +ATOM 1362 CB LEU A 180 5.863 -0.028 13.542 1.00 17.55 C +ATOM 1363 CG LEU A 180 6.649 -0.658 14.678 1.00 19.76 C +ATOM 1364 CD1 LEU A 180 5.797 -0.741 15.913 1.00 20.47 C +ATOM 1365 CD2 LEU A 180 7.146 -2.024 14.235 1.00 19.23 C +ATOM 1366 N GLU A 181 5.153 1.184 10.811 1.00 23.42 N +ATOM 1367 CA GLU A 181 4.182 2.097 10.227 1.00 25.19 C +ATOM 1368 C GLU A 181 4.898 3.301 9.578 1.00 22.34 C +ATOM 1369 O GLU A 181 4.808 4.422 10.078 1.00 23.02 O +ATOM 1370 CB GLU A 181 3.204 2.562 11.329 1.00 27.02 C +ATOM 1371 CG GLU A 181 1.997 3.336 10.844 1.00 33.43 C +ATOM 1372 CD GLU A 181 0.835 2.440 10.514 1.00 36.91 C +ATOM 1373 OE1 GLU A 181 1.068 1.342 9.960 1.00 39.01 O +ATOM 1374 OE2 GLU A 181 -0.318 2.825 10.812 1.00 37.42 O +ATOM 1375 N ALA A 182 5.669 3.054 8.523 1.00 16.52 N +ATOM 1376 CA ALA A 182 6.252 4.151 7.747 1.00 15.78 C +ATOM 1377 C ALA A 182 5.143 5.117 7.274 1.00 15.23 C +ATOM 1378 O ALA A 182 4.127 4.685 6.702 1.00 8.80 O +ATOM 1379 CB ALA A 182 7.016 3.596 6.542 1.00 16.72 C +ATOM 1380 N GLN A 183 5.267 6.385 7.660 1.00 14.72 N +ATOM 1381 CA GLN A 183 4.208 7.379 7.453 1.00 15.77 C +ATOM 1382 C GLN A 183 4.838 8.744 7.197 1.00 16.70 C +ATOM 1383 O GLN A 183 6.054 8.907 7.359 1.00 17.25 O +ATOM 1384 CB GLN A 183 3.283 7.439 8.682 1.00 16.67 C +ATOM 1385 CG GLN A 183 3.999 7.769 10.007 1.00 16.06 C +ATOM 1386 CD GLN A 183 3.204 7.377 11.246 1.00 16.75 C +ATOM 1387 OE1 GLN A 183 3.067 6.191 11.572 1.00 16.59 O +ATOM 1388 NE2 GLN A 183 2.688 8.369 11.953 1.00 12.66 N +ATOM 1389 N GLN A 184 4.046 9.671 6.670 1.00 17.57 N +ATOM 1390 CA GLN A 184 4.516 11.027 6.393 1.00 19.01 C +ATOM 1391 C GLN A 184 3.724 12.035 7.220 1.00 18.41 C +ATOM 1392 O GLN A 184 2.532 11.841 7.465 1.00 18.65 O +ATOM 1393 CB GLN A 184 4.339 11.370 4.913 1.00 21.51 C +ATOM 1394 CG GLN A 184 5.240 12.482 4.421 1.00 26.95 C +ATOM 1395 CD GLN A 184 6.587 11.979 3.942 1.00 27.47 C +ATOM 1396 OE1 GLN A 184 7.614 12.540 4.280 1.00 30.80 O +ATOM 1397 NE2 GLN A 184 6.579 10.972 3.085 1.00 30.83 N +ATOM 1398 N TYR A 185 4.412 13.048 7.735 1.00 14.82 N +ATOM 1399 CA TYR A 185 3.737 14.198 8.316 1.00 13.21 C +ATOM 1400 C TYR A 185 3.427 15.168 7.185 1.00 8.20 C +ATOM 1401 O TYR A 185 4.140 15.242 6.194 1.00 10.42 O +ATOM 1402 CB TYR A 185 4.622 14.888 9.370 1.00 11.92 C +ATOM 1403 CG TYR A 185 5.058 13.998 10.521 1.00 13.11 C +ATOM 1404 CD1 TYR A 185 4.263 12.938 10.959 1.00 12.92 C +ATOM 1405 CD2 TYR A 185 6.235 14.259 11.212 1.00 14.30 C +ATOM 1406 CE1 TYR A 185 4.632 12.166 12.042 1.00 13.15 C +ATOM 1407 CE2 TYR A 185 6.618 13.483 12.304 1.00 14.29 C +ATOM 1408 CZ TYR A 185 5.813 12.443 12.706 1.00 14.18 C +ATOM 1409 OH TYR A 185 6.233 11.642 13.731 1.00 15.24 O +ATOM 1410 N GLY A 186 2.351 15.917 7.352 1.00 10.94 N +ATOM 1411 CA GLY A 186 2.048 17.008 6.448 1.00 9.67 C +ATOM 1412 C GLY A 186 1.312 18.104 7.195 1.00 12.20 C +ATOM 1413 O GLY A 186 0.900 17.925 8.369 1.00 9.81 O +ATOM 1414 N ILE A 187 1.197 19.255 6.532 1.00 12.44 N +ATOM 1415 CA ILE A 187 0.482 20.408 7.072 1.00 14.89 C +ATOM 1416 C ILE A 187 -0.988 20.212 6.756 1.00 10.78 C +ATOM 1417 O ILE A 187 -1.345 19.892 5.636 1.00 15.57 O +ATOM 1418 CB ILE A 187 0.995 21.780 6.433 1.00 17.83 C +ATOM 1419 CG1 ILE A 187 2.430 22.084 6.910 1.00 17.02 C +ATOM 1420 CG2 ILE A 187 0.087 22.947 6.857 1.00 13.59 C +ATOM 1421 CD1 ILE A 187 3.284 22.908 5.932 1.00 14.43 C +ATOM 1422 N ALA A 188 -1.828 20.361 7.769 1.00 15.09 N +ATOM 1423 CA ALA A 188 -3.275 20.141 7.655 1.00 14.40 C +ATOM 1424 C ALA A 188 -4.032 21.447 7.489 1.00 16.16 C +ATOM 1425 O ALA A 188 -3.712 22.436 8.134 1.00 19.40 O +ATOM 1426 CB ALA A 188 -3.776 19.442 8.886 1.00 12.80 C +ATOM 1427 N PHE A 189 -5.129 21.392 6.749 1.00 14.79 N +ATOM 1428 CA PHE A 189 -5.921 22.561 6.425 1.00 14.89 C +ATOM 1429 C PHE A 189 -7.387 22.161 6.570 1.00 16.39 C +ATOM 1430 O PHE A 189 -7.744 20.992 6.349 1.00 16.85 O +ATOM 1431 CB PHE A 189 -5.657 22.987 4.982 1.00 14.13 C +ATOM 1432 CG PHE A 189 -4.247 23.422 4.719 1.00 17.60 C +ATOM 1433 CD1 PHE A 189 -3.868 24.746 4.917 1.00 16.26 C +ATOM 1434 CD2 PHE A 189 -3.300 22.510 4.210 1.00 19.17 C +ATOM 1435 CE1 PHE A 189 -2.560 25.173 4.614 1.00 20.58 C +ATOM 1436 CE2 PHE A 189 -1.984 22.908 3.902 1.00 18.43 C +ATOM 1437 CZ PHE A 189 -1.606 24.249 4.102 1.00 20.48 C +ATOM 1438 N PRO A 190 -8.276 23.141 6.801 1.00 16.07 N +ATOM 1439 CA PRO A 190 -9.693 22.849 6.597 1.00 16.52 C +ATOM 1440 C PRO A 190 -9.921 22.445 5.150 1.00 17.84 C +ATOM 1441 O PRO A 190 -9.101 22.731 4.274 1.00 17.04 O +ATOM 1442 CB PRO A 190 -10.391 24.174 6.924 1.00 17.39 C +ATOM 1443 CG PRO A 190 -9.356 24.999 7.653 1.00 17.38 C +ATOM 1444 CD PRO A 190 -8.053 24.577 7.053 1.00 17.22 C +ATOM 1445 N LYS A 191 -10.999 21.710 4.913 1.00 19.79 N +ATOM 1446 CA LYS A 191 -11.439 21.472 3.553 1.00 20.92 C +ATOM 1447 C LYS A 191 -11.907 22.809 2.968 1.00 21.53 C +ATOM 1448 O LYS A 191 -12.429 23.651 3.683 1.00 19.39 O +ATOM 1449 CB LYS A 191 -12.561 20.438 3.545 1.00 19.79 C +ATOM 1450 CG LYS A 191 -12.069 19.001 3.759 1.00 20.00 C +ATOM 1451 CD LYS A 191 -12.268 18.165 2.496 1.00 20.59 C +ATOM 1452 CE LYS A 191 -11.814 16.724 2.678 1.00 21.80 C +ATOM 1453 NZ LYS A 191 -10.654 16.443 1.801 1.00 20.40 N +ATOM 1454 N GLY A 192 -11.529 23.056 1.720 1.00 22.63 N +ATOM 1455 CA GLY A 192 -11.935 24.262 1.037 1.00 23.92 C +ATOM 1456 C GLY A 192 -10.850 25.313 1.090 1.00 25.52 C +ATOM 1457 O GLY A 192 -11.068 26.433 0.652 1.00 26.88 O +ATOM 1458 N SER A 193 -9.709 24.985 1.687 1.00 28.07 N +ATOM 1459 CA SER A 193 -8.603 25.938 1.797 1.00 29.49 C +ATOM 1460 C SER A 193 -7.557 25.624 0.746 1.00 28.61 C +ATOM 1461 O SER A 193 -6.362 25.551 1.035 1.00 27.31 O +ATOM 1462 CB SER A 193 -7.968 25.881 3.192 1.00 30.12 C +ATOM 1463 OG SER A 193 -8.889 26.277 4.195 1.00 30.84 O +ATOM 1464 N ASP A 194 -8.007 25.582 -0.501 1.00 30.68 N +ATOM 1465 CA ASP A 194 -7.158 25.200 -1.613 1.00 31.32 C +ATOM 1466 C ASP A 194 -6.443 26.369 -2.368 1.00 29.57 C +ATOM 1467 O ASP A 194 -5.339 26.150 -2.885 1.00 31.67 O +ATOM 1468 CB ASP A 194 -7.984 24.316 -2.546 1.00 32.29 C +ATOM 1469 CG ASP A 194 -7.191 23.778 -3.688 1.00 34.12 C +ATOM 1470 OD1 ASP A 194 -6.473 22.774 -3.505 1.00 33.95 O +ATOM 1471 OD2 ASP A 194 -7.381 24.307 -4.798 1.00 36.11 O +ATOM 1472 N GLU A 195 -6.970 27.612 -2.290 1.00 28.43 N +ATOM 1473 CA GLU A 195 -6.186 28.826 -2.680 1.00 24.70 C +ATOM 1474 C GLU A 195 -4.844 28.653 -1.837 1.00 24.06 C +ATOM 1475 O GLU A 195 -3.790 28.397 -2.427 1.00 19.24 O +ATOM 1476 CB GLU A 195 -6.998 30.238 -2.457 1.00 25.28 C +ATOM 1477 CG GLU A 195 -7.716 31.063 -3.808 1.00 19.87 C +ATOM 1478 CD GLU A 195 -8.490 32.584 -3.698 1.00 17.31 C +ATOM 1479 OE1 GLU A 195 -8.589 33.265 -2.674 1.00 23.52 O +ATOM 1480 OE2 GLU A 195 -8.955 33.163 -4.681 1.00 2.00 O +ATOM 1481 N LEU A 196 -4.972 28.347 -0.538 1.00 22.84 N +ATOM 1482 CA LEU A 196 -3.821 28.233 0.395 1.00 22.95 C +ATOM 1483 C LEU A 196 -2.905 26.993 0.253 1.00 25.19 C +ATOM 1484 O LEU A 196 -1.670 27.113 0.367 1.00 22.52 O +ATOM 1485 CB LEU A 196 -4.305 28.288 1.861 1.00 23.10 C +ATOM 1486 CG LEU A 196 -3.480 28.944 2.994 1.00 23.03 C +ATOM 1487 CD1 LEU A 196 -3.846 28.336 4.350 1.00 19.48 C +ATOM 1488 CD2 LEU A 196 -2.001 28.818 2.771 1.00 22.17 C +ATOM 1489 N ARG A 197 -3.498 25.799 0.215 1.00 22.07 N +ATOM 1490 CA ARG A 197 -2.720 24.562 0.200 1.00 24.88 C +ATOM 1491 C ARG A 197 -1.970 24.331 -1.109 1.00 23.88 C +ATOM 1492 O ARG A 197 -0.771 24.028 -1.064 1.00 25.10 O +ATOM 1493 CB ARG A 197 -3.621 23.358 0.498 1.00 28.00 C +ATOM 1494 CG ARG A 197 -2.892 22.060 0.820 1.00 27.25 C +ATOM 1495 CD ARG A 197 -2.536 21.277 -0.429 1.00 28.33 C +ATOM 1496 NE ARG A 197 -3.669 21.139 -1.337 1.00 28.90 N +ATOM 1497 CZ ARG A 197 -4.592 20.188 -1.243 1.00 28.64 C +ATOM 1498 NH1 ARG A 197 -4.454 19.208 -0.360 1.00 29.54 N +ATOM 1499 NH2 ARG A 197 -5.565 20.138 -2.132 1.00 29.06 N +ATOM 1500 N ASP A 198 -2.696 24.320 -2.237 1.00 26.89 N +ATOM 1501 CA ASP A 198 -2.111 24.138 -3.581 1.00 25.89 C +ATOM 1502 C ASP A 198 -1.250 25.423 -3.701 1.00 27.75 C +ATOM 1503 O ASP A 198 -1.733 26.412 -4.263 1.00 31.49 O +ATOM 1504 CB ASP A 198 -3.243 24.077 -4.718 1.00 22.69 C +ATOM 1505 CG ASP A 198 -3.862 22.604 -4.967 1.00 25.57 C +ATOM 1506 OD1 ASP A 198 -3.345 21.707 -4.254 1.00 32.01 O +ATOM 1507 OD2 ASP A 198 -4.807 22.324 -5.836 1.00 2.00 O +ATOM 1508 N LYS A 199 -0.094 25.477 -3.004 1.00 23.30 N +ATOM 1509 CA LYS A 199 0.666 26.733 -2.746 1.00 20.44 C +ATOM 1510 C LYS A 199 1.730 26.694 -1.615 1.00 20.53 C +ATOM 1511 O LYS A 199 2.880 27.110 -1.804 1.00 15.37 O +ATOM 1512 CB LYS A 199 -0.279 27.872 -2.416 1.00 22.17 C +ATOM 1513 CG LYS A 199 0.394 29.214 -2.366 1.00 19.79 C +ATOM 1514 CD LYS A 199 -0.291 30.146 -3.318 1.00 18.99 C +ATOM 1515 CE LYS A 199 -1.328 31.029 -2.608 1.00 16.92 C +ATOM 1516 NZ LYS A 199 -1.943 32.014 -3.543 1.00 17.82 N +ATOM 1517 N VAL A 200 1.287 26.394 -0.397 1.00 20.46 N +ATOM 1518 CA VAL A 200 2.184 25.929 0.660 1.00 15.48 C +ATOM 1519 C VAL A 200 3.048 24.792 0.090 1.00 15.39 C +ATOM 1520 O VAL A 200 4.272 24.805 0.214 1.00 9.89 O +ATOM 1521 CB VAL A 200 1.359 25.464 1.891 1.00 15.09 C +ATOM 1522 CG1 VAL A 200 2.000 24.239 2.564 1.00 17.31 C +ATOM 1523 CG2 VAL A 200 1.215 26.625 2.884 1.00 15.32 C +ATOM 1524 N ASN A 201 2.410 23.916 -0.688 1.00 12.48 N +ATOM 1525 CA ASN A 201 3.133 22.889 -1.442 1.00 13.83 C +ATOM 1526 C ASN A 201 4.239 23.505 -2.290 1.00 12.40 C +ATOM 1527 O ASN A 201 5.385 23.043 -2.277 1.00 12.15 O +ATOM 1528 CB ASN A 201 2.167 22.078 -2.332 1.00 12.73 C +ATOM 1529 CG ASN A 201 1.428 20.987 -1.558 1.00 13.62 C +ATOM 1530 OD1 ASN A 201 1.821 20.653 -0.450 1.00 12.81 O +ATOM 1531 ND2 ASN A 201 0.272 20.552 -2.069 1.00 14.02 N +ATOM 1532 N GLY A 202 3.925 24.640 -2.894 1.00 12.38 N +ATOM 1533 CA GLY A 202 4.891 25.347 -3.718 1.00 13.97 C +ATOM 1534 C GLY A 202 6.106 25.768 -2.908 1.00 13.28 C +ATOM 1535 O GLY A 202 7.217 25.383 -3.237 1.00 11.05 O +ATOM 1536 N ALA A 203 5.858 26.442 -1.786 1.00 13.67 N +ATOM 1537 CA ALA A 203 6.880 26.840 -0.831 1.00 12.37 C +ATOM 1538 C ALA A 203 7.687 25.648 -0.318 1.00 17.73 C +ATOM 1539 O ALA A 203 8.906 25.733 -0.188 1.00 17.10 O +ATOM 1540 CB ALA A 203 6.239 27.550 0.327 1.00 11.16 C +ATOM 1541 N LEU A 204 7.015 24.534 -0.030 1.00 20.84 N +ATOM 1542 CA LEU A 204 7.694 23.337 0.456 1.00 19.92 C +ATOM 1543 C LEU A 204 8.773 22.856 -0.531 1.00 21.25 C +ATOM 1544 O LEU A 204 9.927 22.607 -0.142 1.00 19.49 O +ATOM 1545 CB LEU A 204 6.656 22.246 0.708 1.00 21.63 C +ATOM 1546 CG LEU A 204 6.864 21.262 1.864 1.00 25.12 C +ATOM 1547 CD1 LEU A 204 7.604 21.934 3.031 1.00 23.76 C +ATOM 1548 CD2 LEU A 204 5.486 20.712 2.299 1.00 21.13 C +ATOM 1549 N LYS A 205 8.433 22.850 -1.820 1.00 23.73 N +ATOM 1550 CA LYS A 205 9.361 22.413 -2.865 1.00 25.08 C +ATOM 1551 C LYS A 205 10.521 23.389 -3.050 1.00 25.17 C +ATOM 1552 O LYS A 205 11.650 22.979 -3.320 1.00 23.61 O +ATOM 1553 CB LYS A 205 8.616 22.208 -4.193 1.00 26.40 C +ATOM 1554 CG LYS A 205 8.102 20.786 -4.361 1.00 30.67 C +ATOM 1555 CD LYS A 205 6.986 20.680 -5.368 1.00 34.05 C +ATOM 1556 CE LYS A 205 6.596 19.217 -5.587 1.00 37.48 C +ATOM 1557 NZ LYS A 205 6.071 18.529 -4.354 1.00 41.85 N +ATOM 1558 N THR A 206 10.248 24.668 -2.824 1.00 23.11 N +ATOM 1559 CA THR A 206 11.267 25.708 -2.784 1.00 21.26 C +ATOM 1560 C THR A 206 12.283 25.541 -1.640 1.00 21.59 C +ATOM 1561 O THR A 206 13.501 25.669 -1.842 1.00 21.09 O +ATOM 1562 CB THR A 206 10.581 27.094 -2.686 1.00 20.63 C +ATOM 1563 OG1 THR A 206 10.004 27.397 -3.960 1.00 21.15 O +ATOM 1564 CG2 THR A 206 11.578 28.196 -2.283 1.00 16.65 C +ATOM 1565 N LEU A 207 11.780 25.316 -0.433 1.00 18.49 N +ATOM 1566 CA LEU A 207 12.640 25.105 0.714 1.00 21.05 C +ATOM 1567 C LEU A 207 13.497 23.852 0.488 1.00 22.41 C +ATOM 1568 O LEU A 207 14.624 23.758 0.989 1.00 21.44 O +ATOM 1569 CB LEU A 207 11.795 24.952 1.984 1.00 20.52 C +ATOM 1570 CG LEU A 207 11.277 26.192 2.735 1.00 21.57 C +ATOM 1571 CD1 LEU A 207 12.099 27.430 2.356 1.00 19.98 C +ATOM 1572 CD2 LEU A 207 9.819 26.415 2.435 1.00 18.51 C +ATOM 1573 N ARG A 208 12.945 22.900 -0.266 1.00 24.13 N +ATOM 1574 CA ARG A 208 13.655 21.686 -0.646 1.00 25.78 C +ATOM 1575 C ARG A 208 14.765 22.021 -1.632 1.00 23.77 C +ATOM 1576 O ARG A 208 15.937 21.857 -1.324 1.00 27.10 O +ATOM 1577 CB ARG A 208 12.687 20.679 -1.271 1.00 30.67 C +ATOM 1578 CG ARG A 208 12.039 19.707 -0.283 1.00 37.95 C +ATOM 1579 CD ARG A 208 11.750 18.345 -0.939 1.00 44.33 C +ATOM 1580 NE ARG A 208 12.945 17.762 -1.569 1.00 51.09 N +ATOM 1581 CZ ARG A 208 12.941 16.738 -2.427 1.00 55.02 C +ATOM 1582 NH1 ARG A 208 11.809 16.091 -2.709 1.00 56.51 N +ATOM 1583 NH2 ARG A 208 14.085 16.338 -2.981 1.00 55.94 N +ATOM 1584 N GLU A 209 14.405 22.674 -2.727 1.00 22.04 N +ATOM 1585 CA GLU A 209 15.356 22.982 -3.782 1.00 22.61 C +ATOM 1586 C GLU A 209 16.495 23.903 -3.360 1.00 20.07 C +ATOM 1587 O GLU A 209 17.636 23.691 -3.751 1.00 22.01 O +ATOM 1588 CB GLU A 209 14.631 23.581 -4.975 1.00 27.43 C +ATOM 1589 CG GLU A 209 13.799 22.573 -5.764 1.00 31.45 C +ATOM 1590 CD GLU A 209 13.666 22.967 -7.223 1.00 33.13 C +ATOM 1591 OE1 GLU A 209 14.682 22.826 -7.963 1.00 34.23 O +ATOM 1592 OE2 GLU A 209 12.584 23.467 -7.614 1.00 30.08 O +ATOM 1593 N ASN A 210 16.211 24.873 -2.504 1.00 18.57 N +ATOM 1594 CA ASN A 210 17.241 25.817 -2.118 1.00 19.31 C +ATOM 1595 C ASN A 210 18.085 25.391 -0.914 1.00 20.16 C +ATOM 1596 O ASN A 210 18.995 26.112 -0.507 1.00 19.26 O +ATOM 1597 CB ASN A 210 16.636 27.228 -1.931 1.00 20.67 C +ATOM 1598 CG ASN A 210 15.875 27.394 -0.635 1.00 18.79 C +ATOM 1599 OD1 ASN A 210 15.919 26.543 0.254 1.00 23.00 O +ATOM 1600 ND2 ASN A 210 15.130 28.471 -0.538 1.00 18.84 N +ATOM 1601 N GLY A 211 17.807 24.209 -0.367 1.00 18.82 N +ATOM 1602 CA GLY A 211 18.659 23.657 0.677 1.00 22.34 C +ATOM 1603 C GLY A 211 18.262 24.028 2.093 1.00 21.94 C +ATOM 1604 O GLY A 211 18.835 23.521 3.059 1.00 24.15 O +ATOM 1605 N THR A 212 17.258 24.895 2.219 1.00 24.35 N +ATOM 1606 CA THR A 212 16.827 25.436 3.511 1.00 23.81 C +ATOM 1607 C THR A 212 16.241 24.326 4.392 1.00 21.05 C +ATOM 1608 O THR A 212 16.548 24.226 5.581 1.00 20.25 O +ATOM 1609 CB THR A 212 15.767 26.573 3.293 1.00 24.94 C +ATOM 1610 OG1 THR A 212 16.410 27.712 2.705 1.00 27.38 O +ATOM 1611 CG2 THR A 212 15.084 26.983 4.598 1.00 24.22 C +ATOM 1612 N TYR A 213 15.429 23.473 3.776 1.00 22.14 N +ATOM 1613 CA TYR A 213 14.935 22.265 4.418 1.00 19.73 C +ATOM 1614 C TYR A 213 16.083 21.450 5.031 1.00 19.18 C +ATOM 1615 O TYR A 213 15.997 21.008 6.173 1.00 18.38 O +ATOM 1616 CB TYR A 213 14.152 21.418 3.400 1.00 19.40 C +ATOM 1617 CG TYR A 213 13.565 20.151 3.992 1.00 19.97 C +ATOM 1618 CD1 TYR A 213 14.330 18.969 4.069 1.00 19.36 C +ATOM 1619 CD2 TYR A 213 12.277 20.137 4.521 1.00 21.67 C +ATOM 1620 CE1 TYR A 213 13.831 17.811 4.675 1.00 19.02 C +ATOM 1621 CE2 TYR A 213 11.754 18.970 5.115 1.00 20.85 C +ATOM 1622 CZ TYR A 213 12.546 17.821 5.193 1.00 20.32 C +ATOM 1623 OH TYR A 213 12.085 16.719 5.854 1.00 23.04 O +ATOM 1624 N ASN A 214 17.141 21.236 4.257 1.00 19.61 N +ATOM 1625 CA ASN A 214 18.311 20.520 4.743 1.00 21.39 C +ATOM 1626 C ASN A 214 18.868 21.126 6.025 1.00 20.59 C +ATOM 1627 O ASN A 214 19.094 20.409 7.000 1.00 19.52 O +ATOM 1628 CB ASN A 214 19.399 20.470 3.664 1.00 23.02 C +ATOM 1629 CG ASN A 214 19.206 19.313 2.690 1.00 25.80 C +ATOM 1630 OD1 ASN A 214 18.082 18.845 2.470 1.00 27.91 O +ATOM 1631 ND2 ASN A 214 20.303 18.826 2.124 1.00 28.66 N +ATOM 1632 N GLU A 215 18.944 22.450 6.091 1.00 18.92 N +ATOM 1633 CA GLU A 215 19.487 23.089 7.287 1.00 21.71 C +ATOM 1634 C GLU A 215 18.533 23.095 8.503 1.00 18.99 C +ATOM 1635 O GLU A 215 18.982 22.932 9.648 1.00 18.26 O +ATOM 1636 CB GLU A 215 19.970 24.514 6.962 1.00 24.19 C +ATOM 1637 CG GLU A 215 20.974 24.605 5.812 1.00 28.22 C +ATOM 1638 CD GLU A 215 22.179 23.666 5.946 1.00 32.46 C +ATOM 1639 OE1 GLU A 215 23.207 24.086 6.512 1.00 34.43 O +ATOM 1640 OE2 GLU A 215 22.156 22.542 5.398 1.00 34.27 O +ATOM 1641 N ILE A 216 17.230 23.231 8.262 1.00 16.66 N +ATOM 1642 CA ILE A 216 16.248 23.077 9.330 1.00 16.98 C +ATOM 1643 C ILE A 216 16.343 21.664 9.907 1.00 18.65 C +ATOM 1644 O ILE A 216 16.559 21.481 11.110 1.00 17.98 O +ATOM 1645 CB ILE A 216 14.800 23.290 8.819 1.00 19.27 C +ATOM 1646 CG1 ILE A 216 14.680 24.646 8.105 1.00 21.54 C +ATOM 1647 CG2 ILE A 216 13.830 23.259 9.997 1.00 22.40 C +ATOM 1648 CD1 ILE A 216 13.267 25.033 7.691 1.00 19.83 C +ATOM 1649 N TYR A 217 16.331 20.674 9.014 1.00 17.33 N +ATOM 1650 CA TYR A 217 16.395 19.278 9.403 1.00 18.99 C +ATOM 1651 C TYR A 217 17.687 18.999 10.195 1.00 21.28 C +ATOM 1652 O TYR A 217 17.651 18.544 11.362 1.00 18.97 O +ATOM 1653 CB TYR A 217 16.323 18.405 8.155 1.00 18.17 C +ATOM 1654 CG TYR A 217 16.172 16.933 8.441 1.00 21.15 C +ATOM 1655 CD1 TYR A 217 17.293 16.146 8.737 1.00 22.64 C +ATOM 1656 CD2 TYR A 217 14.935 16.301 8.332 1.00 21.14 C +ATOM 1657 CE1 TYR A 217 17.190 14.774 8.908 1.00 23.76 C +ATOM 1658 CE2 TYR A 217 14.826 14.926 8.491 1.00 23.20 C +ATOM 1659 CZ TYR A 217 15.964 14.173 8.765 1.00 23.44 C +ATOM 1660 OH TYR A 217 15.916 12.799 8.743 1.00 30.17 O +ATOM 1661 N LYS A 218 18.811 19.326 9.560 1.00 20.89 N +ATOM 1662 CA LYS A 218 20.136 19.274 10.174 1.00 22.02 C +ATOM 1663 C LYS A 218 20.139 19.883 11.578 1.00 20.59 C +ATOM 1664 O LYS A 218 20.643 19.279 12.535 1.00 19.22 O +ATOM 1665 CB LYS A 218 21.146 20.001 9.266 1.00 20.63 C +ATOM 1666 CG LYS A 218 22.598 19.829 9.677 1.00 26.95 C +ATOM 1667 CD LYS A 218 23.556 20.025 8.504 1.00 30.43 C +ATOM 1668 CE LYS A 218 23.880 21.499 8.263 1.00 33.33 C +ATOM 1669 NZ LYS A 218 24.269 21.749 6.836 1.00 37.08 N +ATOM 1670 N LYS A 219 19.469 21.019 11.723 1.00 18.85 N +ATOM 1671 CA LYS A 219 19.426 21.692 13.002 1.00 18.94 C +ATOM 1672 C LYS A 219 18.854 20.768 14.070 1.00 19.36 C +ATOM 1673 O LYS A 219 19.477 20.580 15.120 1.00 22.60 O +ATOM 1674 CB LYS A 219 18.598 22.977 12.896 1.00 17.23 C +ATOM 1675 CG LYS A 219 18.556 23.800 14.168 1.00 17.44 C +ATOM 1676 CD LYS A 219 17.489 24.859 14.074 1.00 16.59 C +ATOM 1677 CE LYS A 219 17.200 25.436 15.427 1.00 19.14 C +ATOM 1678 NZ LYS A 219 15.805 25.918 15.537 1.00 22.27 N +ATOM 1679 N TRP A 220 17.762 20.079 13.736 1.00 19.52 N +ATOM 1680 CA TRP A 220 16.989 19.305 14.722 1.00 17.96 C +ATOM 1681 C TRP A 220 17.337 17.825 14.863 1.00 17.11 C +ATOM 1682 O TRP A 220 17.092 17.234 15.907 1.00 18.54 O +ATOM 1683 CB TRP A 220 15.496 19.457 14.447 1.00 15.50 C +ATOM 1684 CG TRP A 220 15.073 20.844 14.692 1.00 16.69 C +ATOM 1685 CD1 TRP A 220 14.883 21.817 13.759 1.00 14.49 C +ATOM 1686 CD2 TRP A 220 14.920 21.473 15.971 1.00 16.12 C +ATOM 1687 NE1 TRP A 220 14.605 23.025 14.379 1.00 16.25 N +ATOM 1688 CE2 TRP A 220 14.610 22.832 15.738 1.00 16.24 C +ATOM 1689 CE3 TRP A 220 15.014 21.020 17.291 1.00 14.40 C +ATOM 1690 CZ2 TRP A 220 14.377 23.729 16.777 1.00 13.97 C +ATOM 1691 CZ3 TRP A 220 14.794 21.913 18.316 1.00 16.27 C +ATOM 1692 CH2 TRP A 220 14.476 23.249 18.055 1.00 15.36 C +ATOM 1693 N PHE A 221 17.879 17.221 13.812 1.00 19.89 N +ATOM 1694 CA PHE A 221 18.194 15.796 13.841 1.00 20.77 C +ATOM 1695 C PHE A 221 19.689 15.511 13.775 1.00 23.12 C +ATOM 1696 O PHE A 221 20.121 14.403 14.072 1.00 27.24 O +ATOM 1697 CB PHE A 221 17.460 15.068 12.713 1.00 21.28 C +ATOM 1698 CG PHE A 221 15.961 15.136 12.834 1.00 23.96 C +ATOM 1699 CD1 PHE A 221 15.296 14.387 13.798 1.00 24.31 C +ATOM 1700 CD2 PHE A 221 15.227 16.030 12.058 1.00 24.31 C +ATOM 1701 CE1 PHE A 221 13.926 14.529 13.995 1.00 25.32 C +ATOM 1702 CE2 PHE A 221 13.853 16.184 12.249 1.00 25.39 C +ATOM 1703 CZ PHE A 221 13.203 15.432 13.224 1.00 26.77 C +ATOM 1704 N GLY A 222 20.484 16.526 13.464 1.00 22.75 N +ATOM 1705 CA GLY A 222 21.920 16.368 13.522 1.00 24.18 C +ATOM 1706 C GLY A 222 22.587 15.969 12.221 1.00 27.14 C +ATOM 1707 O GLY A 222 23.808 15.870 12.183 1.00 30.26 O +ATOM 1708 N THR A 223 21.823 15.701 11.167 1.00 25.92 N +ATOM 1709 CA THR A 223 22.420 15.466 9.851 1.00 26.88 C +ATOM 1710 C THR A 223 21.452 15.942 8.791 1.00 25.25 C +ATOM 1711 O THR A 223 20.319 16.287 9.113 1.00 26.27 O +ATOM 1712 CB THR A 223 22.697 13.959 9.596 1.00 28.92 C +ATOM 1713 OG1 THR A 223 21.760 13.165 10.328 1.00 31.85 O +ATOM 1714 CG2 THR A 223 24.099 13.582 9.991 1.00 29.26 C +ATOM 1715 N GLU A 224 21.913 15.982 7.541 1.00 26.61 N +ATOM 1716 CA GLU A 224 21.041 16.134 6.370 1.00 27.07 C +ATOM 1717 C GLU A 224 20.029 14.982 6.269 1.00 25.35 C +ATOM 1718 O GLU A 224 20.210 13.919 6.870 1.00 23.67 O +ATOM 1719 CB GLU A 224 21.869 16.180 5.072 1.00 28.66 C +ATOM 1720 CG GLU A 224 23.092 17.096 5.110 1.00 33.62 C +ATOM 1721 CD GLU A 224 23.114 18.134 3.988 1.00 35.70 C +ATOM 1722 OE1 GLU A 224 23.179 17.774 2.776 1.00 37.29 O +ATOM 1723 OE2 GLU A 224 23.090 19.325 4.338 1.00 37.68 O +ATOM 1724 N PRO A 225 18.972 15.165 5.461 1.00 23.39 N +ATOM 1725 CA PRO A 225 18.034 14.078 5.201 1.00 24.66 C +ATOM 1726 C PRO A 225 18.697 12.948 4.403 1.00 27.17 C +ATOM 1727 O PRO A 225 18.698 11.810 4.849 1.00 30.08 O +ATOM 1728 CB PRO A 225 16.918 14.756 4.403 1.00 24.11 C +ATOM 1729 CG PRO A 225 17.141 16.225 4.558 1.00 22.54 C +ATOM 1730 CD PRO A 225 18.605 16.372 4.709 1.00 23.14 C +ATOM 1731 N LYS A 226 19.155 13.255 3.192 1.00 32.91 N +ATOM 1732 CA LYS A 226 19.881 12.307 2.350 1.00 33.03 C +ATOM 1733 C LYS A 226 21.270 12.068 2.908 1.00 32.90 C +ATOM 1734 O LYS A 226 21.651 12.838 3.810 1.00 36.55 O +ATOM 1735 CB LYS A 226 19.996 12.823 0.899 1.00 36.91 C +ATOM 1736 CG LYS A 226 20.085 14.346 0.745 1.00 41.98 C +ATOM 1737 CD LYS A 226 21.290 14.801 -0.076 1.00 43.87 C +ATOM 1738 CE LYS A 226 22.609 14.480 0.621 1.00 47.96 C +ATOM 1739 NZ LYS A 226 22.624 14.769 2.087 1.00 49.96 N +ATOM 1740 OXT LYS A 226 21.991 11.177 2.386 1.00 20.96 O +TER 1741 LYS A 226 +END diff --git a/bench/main_benchmark/structures/SFB_AL_LIVBP_2LIVA_1Z15A/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_LIVBP_2LIVA_1Z15A/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..eaf51e07d1fbef07932171d71258b88d127e9044 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_LIVBP_2LIVA_1Z15A/state_a.pdb @@ -0,0 +1,2591 @@ +ATOM 1 N GLU A 1 1.212 32.187 -44.252 1.00 24.96 N +ATOM 2 CA GLU A 1 1.208 30.767 -43.963 1.00 24.27 C +ATOM 3 C GLU A 1 0.088 30.036 -44.691 1.00 22.93 C +ATOM 4 O GLU A 1 -1.021 30.512 -44.934 1.00 23.45 O +ATOM 5 CB GLU A 1 1.093 30.469 -42.494 1.00 27.63 C +ATOM 6 CG GLU A 1 2.333 30.242 -41.604 1.00 30.58 C +ATOM 7 CD GLU A 1 1.922 29.830 -40.193 1.00 32.34 C +ATOM 8 OE1 GLU A 1 2.493 30.142 -39.164 1.00 32.64 O +ATOM 9 OE2 GLU A 1 0.869 29.106 -40.239 1.00 34.29 O +ATOM 10 N ASP A 2 0.315 28.865 -45.061 1.00 20.80 N +ATOM 11 CA ASP A 2 0.215 27.601 -45.604 1.00 18.78 C +ATOM 12 C ASP A 2 0.622 26.522 -44.552 1.00 17.52 C +ATOM 13 O ASP A 2 1.671 26.749 -43.916 1.00 17.46 O +ATOM 14 CB ASP A 2 1.368 27.523 -46.622 1.00 19.61 C +ATOM 15 CG ASP A 2 1.137 27.360 -48.067 1.00 19.90 C +ATOM 16 OD1 ASP A 2 2.006 26.614 -48.611 1.00 21.81 O +ATOM 17 OD2 ASP A 2 0.199 27.892 -48.692 1.00 19.34 O +ATOM 18 N ILE A 3 -0.128 25.471 -44.460 1.00 15.42 N +ATOM 19 CA ILE A 3 0.108 24.350 -43.581 1.00 13.49 C +ATOM 20 C ILE A 3 0.917 23.278 -44.309 1.00 11.78 C +ATOM 21 O ILE A 3 0.638 22.859 -45.419 1.00 11.76 O +ATOM 22 CB ILE A 3 -1.228 23.732 -43.037 1.00 14.53 C +ATOM 23 CG1 ILE A 3 -2.273 24.825 -42.702 1.00 14.95 C +ATOM 24 CG2 ILE A 3 -0.933 22.816 -41.812 1.00 14.71 C +ATOM 25 CD1 ILE A 3 -3.633 24.300 -42.182 1.00 14.09 C +ATOM 26 N LYS A 4 1.930 22.781 -43.662 1.00 10.87 N +ATOM 27 CA LYS A 4 2.788 21.737 -44.194 1.00 9.91 C +ATOM 28 C LYS A 4 2.477 20.417 -43.454 1.00 8.85 C +ATOM 29 O LYS A 4 2.357 20.346 -42.251 1.00 8.41 O +ATOM 30 CB LYS A 4 4.295 21.929 -44.067 1.00 9.76 C +ATOM 31 CG LYS A 4 4.722 23.327 -44.471 1.00 10.64 C +ATOM 32 CD LYS A 4 6.253 23.391 -44.448 1.00 12.18 C +ATOM 33 CE LYS A 4 6.684 24.612 -45.258 1.00 12.80 C +ATOM 34 NZ LYS A 4 8.068 24.917 -44.795 1.00 16.57 N +ATOM 35 N VAL A 5 2.385 19.465 -44.344 1.00 7.71 N +ATOM 36 CA VAL A 5 2.110 18.074 -44.032 1.00 6.49 C +ATOM 37 C VAL A 5 3.254 17.314 -44.749 1.00 5.95 C +ATOM 38 O VAL A 5 3.525 17.641 -45.905 1.00 5.34 O +ATOM 39 CB VAL A 5 0.666 17.748 -44.471 1.00 6.31 C +ATOM 40 CG1 VAL A 5 0.136 16.370 -44.009 1.00 5.79 C +ATOM 41 CG2 VAL A 5 -0.311 18.862 -44.043 1.00 6.02 C +ATOM 42 N ALA A 6 3.860 16.406 -43.997 1.00 5.28 N +ATOM 43 CA ALA A 6 4.913 15.540 -44.483 1.00 5.25 C +ATOM 44 C ALA A 6 4.132 14.255 -44.876 1.00 5.75 C +ATOM 45 O ALA A 6 3.406 13.772 -44.009 1.00 5.70 O +ATOM 46 CB ALA A 6 5.958 15.156 -43.454 1.00 3.30 C +ATOM 47 N VAL A 7 4.247 13.893 -46.136 1.00 6.03 N +ATOM 48 CA VAL A 7 3.605 12.629 -46.599 1.00 5.61 C +ATOM 49 C VAL A 7 4.814 11.706 -46.703 1.00 6.66 C +ATOM 50 O VAL A 7 5.731 12.125 -47.455 1.00 7.19 O +ATOM 51 CB VAL A 7 2.756 12.941 -47.813 1.00 3.41 C +ATOM 52 CG1 VAL A 7 2.305 11.671 -48.553 1.00 2.44 C +ATOM 53 CG2 VAL A 7 1.523 13.729 -47.350 1.00 2.78 C +ATOM 54 N VAL A 8 4.921 10.670 -45.905 1.00 7.63 N +ATOM 55 CA VAL A 8 6.102 9.768 -45.963 1.00 8.37 C +ATOM 56 C VAL A 8 5.759 8.434 -46.657 1.00 9.09 C +ATOM 57 O VAL A 8 4.937 7.681 -46.171 1.00 8.27 O +ATOM 58 CB VAL A 8 6.812 9.541 -44.633 1.00 7.11 C +ATOM 59 CG1 VAL A 8 8.124 8.774 -44.807 1.00 5.21 C +ATOM 60 CG2 VAL A 8 7.083 10.847 -43.905 1.00 6.87 C +ATOM 61 N GLY A 9 6.492 8.192 -47.721 1.00 10.79 N +ATOM 62 CA GLY A 9 6.389 7.035 -48.576 1.00 14.30 C +ATOM 63 C GLY A 9 7.765 6.488 -48.992 1.00 16.55 C +ATOM 64 O GLY A 9 8.829 6.922 -48.553 1.00 16.70 O +ATOM 65 N ALA A 10 7.661 5.480 -49.790 1.00 18.90 N +ATOM 66 CA ALA A 10 8.614 4.657 -50.507 1.00 21.68 C +ATOM 67 C ALA A 10 8.267 4.976 -51.999 1.00 23.28 C +ATOM 68 O ALA A 10 7.234 4.430 -52.415 1.00 23.60 O +ATOM 69 CB ALA A 10 8.395 3.152 -50.403 1.00 22.01 C +ATOM 70 N MET A 11 9.045 5.842 -52.542 1.00 25.66 N +ATOM 71 CA MET A 11 8.802 6.268 -53.953 1.00 28.50 C +ATOM 72 C MET A 11 10.082 5.878 -54.705 1.00 29.49 C +ATOM 73 O MET A 11 10.357 6.276 -55.838 1.00 29.71 O +ATOM 74 CB MET A 11 8.315 7.674 -54.057 1.00 30.77 C +ATOM 75 CG MET A 11 8.590 8.611 -52.901 1.00 31.93 C +ATOM 76 SD MET A 11 10.026 9.626 -53.444 1.00 33.41 S +ATOM 77 CE MET A 11 9.563 11.245 -52.808 1.00 32.87 C +ATOM 78 N SER A 12 10.764 4.976 -54.022 1.00 30.15 N +ATOM 79 CA SER A 12 12.004 4.345 -54.196 1.00 30.32 C +ATOM 80 C SER A 12 12.307 2.911 -54.531 1.00 30.70 C +ATOM 81 O SER A 12 13.156 2.662 -55.445 1.00 31.49 O +ATOM 82 CB SER A 12 12.590 4.366 -52.693 1.00 31.03 C +ATOM 83 OG SER A 12 11.721 3.379 -52.068 1.00 31.88 O +ATOM 84 N GLY A 13 11.836 1.952 -53.733 1.00 30.25 N +ATOM 85 CA GLY A 13 12.235 0.554 -53.953 1.00 29.85 C +ATOM 86 C GLY A 13 11.326 -0.241 -54.866 1.00 29.15 C +ATOM 87 O GLY A 13 11.039 0.185 -55.988 1.00 30.00 O +ATOM 88 N PRO A 14 10.911 -1.377 -54.369 1.00 28.23 N +ATOM 89 CA PRO A 14 10.014 -2.357 -54.994 1.00 27.38 C +ATOM 90 C PRO A 14 8.586 -2.080 -54.485 1.00 26.05 C +ATOM 91 O PRO A 14 7.593 -2.527 -55.063 1.00 25.65 O +ATOM 92 CB PRO A 14 10.465 -3.706 -54.404 1.00 27.96 C +ATOM 93 CG PRO A 14 11.545 -3.365 -53.409 1.00 28.36 C +ATOM 94 CD PRO A 14 11.270 -1.910 -53.016 1.00 28.44 C +ATOM 95 N VAL A 15 8.658 -1.377 -53.340 1.00 23.89 N +ATOM 96 CA VAL A 15 7.525 -0.873 -52.589 1.00 21.39 C +ATOM 97 C VAL A 15 7.067 0.476 -53.190 1.00 20.27 C +ATOM 98 O VAL A 15 6.034 0.973 -52.704 1.00 20.61 O +ATOM 99 CB VAL A 15 7.824 -0.653 -51.097 1.00 20.39 C +ATOM 100 CG1 VAL A 15 7.258 -1.768 -50.253 1.00 20.13 C +ATOM 101 CG2 VAL A 15 9.308 -0.426 -50.877 1.00 20.99 C +ATOM 102 N ALA A 16 7.824 0.965 -54.150 1.00 18.48 N +ATOM 103 CA ALA A 16 7.565 2.229 -54.832 1.00 17.21 C +ATOM 104 C ALA A 16 6.134 2.286 -55.364 1.00 16.00 C +ATOM 105 O ALA A 16 5.595 3.351 -55.699 1.00 16.06 O +ATOM 106 CB ALA A 16 8.578 2.527 -55.930 1.00 16.61 C +ATOM 107 N GLN A 17 5.535 1.157 -55.468 1.00 14.94 N +ATOM 108 CA GLN A 17 4.171 0.965 -55.953 1.00 14.60 C +ATOM 109 C GLN A 17 3.162 1.292 -54.866 1.00 13.86 C +ATOM 110 O GLN A 17 2.018 1.604 -55.213 1.00 14.10 O +ATOM 111 CB GLN A 17 4.008 -0.497 -56.416 1.00 16.50 C +ATOM 112 CG GLN A 17 4.331 -1.469 -55.236 1.00 17.90 C +ATOM 113 CD GLN A 17 3.749 -2.818 -55.606 1.00 18.78 C +ATOM 114 OE1 GLN A 17 2.536 -2.953 -55.815 1.00 19.03 O +ATOM 115 NE2 GLN A 17 4.714 -3.720 -55.745 1.00 20.29 N +ATOM 116 N TYR A 18 3.577 1.178 -53.606 1.00 12.93 N +ATOM 117 CA TYR A 18 2.648 1.540 -52.519 1.00 12.48 C +ATOM 118 C TYR A 18 2.812 3.038 -52.265 1.00 10.81 C +ATOM 119 O TYR A 18 1.767 3.670 -52.161 1.00 10.28 O +ATOM 120 CB TYR A 18 2.680 0.639 -51.293 1.00 15.54 C +ATOM 121 CG TYR A 18 2.385 -0.781 -51.756 1.00 17.09 C +ATOM 122 CD1 TYR A 18 1.184 -1.143 -52.357 1.00 17.03 C +ATOM 123 CD2 TYR A 18 3.414 -1.718 -51.594 1.00 17.84 C +ATOM 124 CE1 TYR A 18 1.009 -2.456 -52.820 1.00 18.21 C +ATOM 125 CE2 TYR A 18 3.234 -3.031 -52.022 1.00 18.52 C +ATOM 126 CZ TYR A 18 2.042 -3.379 -52.658 1.00 18.94 C +ATOM 127 OH TYR A 18 1.982 -4.692 -53.039 1.00 20.12 O +ATOM 128 N GLY A 19 4.040 3.521 -52.288 1.00 9.65 N +ATOM 129 CA GLY A 19 4.367 4.920 -52.149 1.00 8.96 C +ATOM 130 C GLY A 19 3.625 5.743 -53.213 1.00 9.26 C +ATOM 131 O GLY A 19 3.190 6.879 -53.016 1.00 7.83 O +ATOM 132 N ASP A 20 3.462 5.133 -54.392 1.00 9.78 N +ATOM 133 CA ASP A 20 2.800 5.771 -55.526 1.00 10.54 C +ATOM 134 C ASP A 20 1.308 5.999 -55.248 1.00 9.71 C +ATOM 135 O ASP A 20 0.774 7.049 -55.687 1.00 10.01 O +ATOM 136 CB ASP A 20 2.991 5.033 -56.844 1.00 14.75 C +ATOM 137 CG ASP A 20 2.684 5.935 -58.035 1.00 18.97 C +ATOM 138 OD1 ASP A 20 1.838 5.651 -58.913 1.00 20.23 O +ATOM 139 OD2 ASP A 20 3.406 6.993 -58.093 1.00 22.09 O +ATOM 140 N GLN A 21 0.726 4.991 -54.647 1.00 8.11 N +ATOM 141 CA GLN A 21 -0.690 5.026 -54.288 1.00 7.19 C +ATOM 142 C GLN A 21 -0.913 6.169 -53.305 1.00 6.39 C +ATOM 143 O GLN A 21 -1.807 6.950 -53.514 1.00 5.25 O +ATOM 144 CB GLN A 21 -1.157 3.691 -53.675 1.00 8.57 C +ATOM 145 CG GLN A 21 -1.316 2.570 -54.728 1.00 8.30 C +ATOM 146 CD GLN A 21 -1.731 1.313 -53.988 1.00 9.40 C +ATOM 147 OE1 GLN A 21 -2.285 1.349 -52.889 1.00 9.38 O +ATOM 148 NE2 GLN A 21 -1.436 0.163 -54.589 1.00 9.82 N +ATOM 149 N GLU A 22 -0.092 6.247 -52.253 1.00 7.18 N +ATOM 150 CA GLU A 22 -0.259 7.312 -51.247 1.00 7.95 C +ATOM 151 C GLU A 22 0.008 8.710 -51.779 1.00 8.06 C +ATOM 152 O GLU A 22 -0.766 9.640 -51.444 1.00 8.91 O +ATOM 153 CB GLU A 22 0.403 7.156 -49.975 1.00 9.22 C +ATOM 154 CG GLU A 22 1.587 6.538 -49.374 1.00 10.73 C +ATOM 155 CD GLU A 22 2.377 7.482 -48.472 1.00 10.29 C +ATOM 156 OE1 GLU A 22 3.478 7.234 -48.067 1.00 11.74 O +ATOM 157 OE2 GLU A 22 1.723 8.526 -48.322 1.00 10.34 O +ATOM 158 N PHE A 23 1.053 8.952 -52.519 1.00 7.83 N +ATOM 159 CA PHE A 23 1.304 10.265 -53.120 1.00 7.70 C +ATOM 160 C PHE A 23 0.116 10.563 -54.022 1.00 6.83 C +ATOM 161 O PHE A 23 -0.363 11.735 -53.999 1.00 7.62 O +ATOM 162 CB PHE A 23 2.712 10.329 -53.710 1.00 11.21 C +ATOM 163 CG PHE A 23 3.729 10.223 -52.554 1.00 14.63 C +ATOM 164 CD1 PHE A 23 4.295 9.009 -52.207 1.00 15.92 C +ATOM 165 CD2 PHE A 23 4.088 11.351 -51.825 1.00 14.82 C +ATOM 166 CE1 PHE A 23 5.188 8.838 -51.155 1.00 15.57 C +ATOM 167 CE2 PHE A 23 4.993 11.224 -50.773 1.00 16.07 C +ATOM 168 CZ PHE A 23 5.543 9.981 -50.438 1.00 15.76 C +ATOM 169 N THR A 24 -0.459 9.633 -54.762 1.00 5.34 N +ATOM 170 CA THR A 24 -1.623 9.946 -55.583 1.00 4.60 C +ATOM 171 C THR A 24 -2.843 10.258 -54.693 1.00 4.60 C +ATOM 172 O THR A 24 -3.765 10.954 -55.167 1.00 4.95 O +ATOM 173 CB THR A 24 -2.102 8.874 -56.624 1.00 4.90 C +ATOM 174 OG1 THR A 24 -1.045 8.483 -57.503 1.00 6.56 O +ATOM 175 CG2 THR A 24 -3.342 9.285 -57.457 1.00 4.45 C +ATOM 176 N GLY A 25 -3.003 9.697 -53.537 1.00 4.28 N +ATOM 177 CA GLY A 25 -4.207 9.932 -52.704 1.00 4.77 C +ATOM 178 C GLY A 25 -4.012 11.245 -51.987 1.00 6.11 C +ATOM 179 O GLY A 25 -4.901 12.111 -51.860 1.00 6.20 O +ATOM 180 N ALA A 26 -2.772 11.387 -51.490 1.00 6.58 N +ATOM 181 CA ALA A 26 -2.421 12.615 -50.750 1.00 7.35 C +ATOM 182 C ALA A 26 -2.580 13.822 -51.663 1.00 8.01 C +ATOM 183 O ALA A 26 -3.362 14.759 -51.386 1.00 7.73 O +ATOM 184 CB ALA A 26 -1.065 12.388 -50.114 1.00 7.79 C +ATOM 185 N GLU A 27 -1.926 13.779 -52.820 1.00 9.07 N +ATOM 186 CA GLU A 27 -2.030 14.872 -53.803 1.00 10.56 C +ATOM 187 C GLU A 27 -3.418 15.227 -54.230 1.00 10.03 C +ATOM 188 O GLU A 27 -3.705 16.448 -54.358 1.00 10.19 O +ATOM 189 CB GLU A 27 -1.168 14.560 -55.017 1.00 14.48 C +ATOM 190 CG GLU A 27 0.291 14.383 -54.520 1.00 20.43 C +ATOM 191 CD GLU A 27 1.368 14.383 -55.572 1.00 24.14 C +ATOM 192 OE1 GLU A 27 1.260 13.921 -56.717 1.00 24.58 O +ATOM 193 OE2 GLU A 27 2.429 14.894 -55.063 1.00 26.24 O +ATOM 194 N GLN A 28 -4.275 14.248 -54.450 1.00 9.22 N +ATOM 195 CA GLN A 28 -5.659 14.517 -54.878 1.00 8.71 C +ATOM 196 C GLN A 28 -6.377 15.227 -53.745 1.00 8.81 C +ATOM 197 O GLN A 28 -6.999 16.278 -53.941 1.00 9.23 O +ATOM 198 CB GLN A 28 -6.313 13.254 -55.375 1.00 8.08 C +ATOM 199 CG GLN A 28 -7.549 13.382 -56.208 1.00 8.45 C +ATOM 200 CD GLN A 28 -7.466 14.560 -57.179 1.00 8.42 C +ATOM 201 OE1 GLN A 28 -6.496 14.624 -57.931 1.00 8.20 O +ATOM 202 NE2 GLN A 28 -8.443 15.455 -57.087 1.00 7.07 N +ATOM 203 N ALA A 29 -6.201 14.723 -52.531 1.00 8.81 N +ATOM 204 CA ALA A 29 -6.819 15.220 -51.317 1.00 8.63 C +ATOM 205 C ALA A 29 -6.568 16.690 -51.085 1.00 7.89 C +ATOM 206 O ALA A 29 -7.537 17.442 -50.900 1.00 7.88 O +ATOM 207 CB ALA A 29 -6.660 14.312 -50.091 1.00 7.86 C +ATOM 208 N VAL A 30 -5.340 17.101 -51.132 1.00 8.19 N +ATOM 209 CA VAL A 30 -4.865 18.472 -50.935 1.00 7.60 C +ATOM 210 C VAL A 30 -5.408 19.387 -52.022 1.00 8.50 C +ATOM 211 O VAL A 30 -5.723 20.587 -51.814 1.00 8.53 O +ATOM 212 CB VAL A 30 -3.322 18.408 -50.912 1.00 6.23 C +ATOM 213 CG1 VAL A 30 -2.728 19.792 -51.236 1.00 6.37 C +ATOM 214 CG2 VAL A 30 -2.808 17.897 -49.594 1.00 5.55 C +ATOM 215 N ALA A 31 -5.460 18.890 -53.248 1.00 9.37 N +ATOM 216 CA ALA A 31 -5.994 19.820 -54.300 1.00 10.73 C +ATOM 217 C ALA A 31 -7.493 20.026 -54.080 1.00 11.66 C +ATOM 218 O ALA A 31 -8.024 21.148 -54.346 1.00 12.22 O +ATOM 219 CB ALA A 31 -5.599 19.352 -55.676 1.00 10.57 C +ATOM 220 N ASP A 32 -8.199 18.997 -53.595 1.00 11.31 N +ATOM 221 CA ASP A 32 -9.643 19.103 -53.352 1.00 10.95 C +ATOM 222 C ASP A 32 -9.914 20.026 -52.172 1.00 10.48 C +ATOM 223 O ASP A 32 -10.839 20.836 -52.195 1.00 11.30 O +ATOM 224 CB ASP A 32 -10.297 17.748 -53.086 1.00 11.76 C +ATOM 225 CG ASP A 32 -10.492 16.839 -54.254 1.00 13.01 C +ATOM 226 OD1 ASP A 32 -11.274 15.859 -54.242 1.00 12.58 O +ATOM 227 OD2 ASP A 32 -9.834 17.130 -55.306 1.00 15.46 O +ATOM 228 N ILE A 33 -9.133 19.856 -51.132 1.00 10.12 N +ATOM 229 CA ILE A 33 -9.320 20.608 -49.871 1.00 9.54 C +ATOM 230 C ILE A 33 -9.017 22.078 -50.068 1.00 9.91 C +ATOM 231 O ILE A 33 -9.703 23.008 -49.594 1.00 10.41 O +ATOM 232 CB ILE A 33 -8.431 20.019 -48.692 1.00 8.92 C +ATOM 233 CG1 ILE A 33 -8.953 18.656 -48.218 1.00 8.34 C +ATOM 234 CG2 ILE A 33 -8.303 21.034 -47.535 1.00 7.03 C +ATOM 235 CD1 ILE A 33 -7.988 17.726 -47.466 1.00 7.84 C +ATOM 236 N ASN A 34 -7.952 22.291 -50.854 1.00 9.86 N +ATOM 237 CA ASN A 34 -7.597 23.753 -50.935 1.00 10.12 C +ATOM 238 C ASN A 34 -8.319 24.442 -52.022 1.00 9.97 C +ATOM 239 O ASN A 34 -8.646 25.649 -51.906 1.00 9.70 O +ATOM 240 CB ASN A 34 -6.205 23.824 -50.368 1.00 10.28 C +ATOM 241 CG ASN A 34 -5.149 23.405 -51.328 1.00 9.77 C +ATOM 242 OD1 ASN A 34 -4.016 23.271 -50.889 1.00 10.37 O +ATOM 243 ND2 ASN A 34 -5.667 23.349 -52.554 1.00 9.82 N +ATOM 244 N ALA A 35 -8.825 23.675 -52.982 1.00 10.10 N +ATOM 245 CA ALA A 35 -9.651 24.236 -54.080 1.00 9.83 C +ATOM 246 C ALA A 35 -10.955 24.754 -53.456 1.00 10.46 C +ATOM 247 O ALA A 35 -11.565 25.727 -53.918 1.00 10.66 O +ATOM 248 CB ALA A 35 -9.862 23.185 -55.121 1.00 8.20 C +ATOM 249 N LYS A 36 -11.390 24.087 -52.392 1.00 11.34 N +ATOM 250 CA LYS A 36 -12.618 24.477 -51.698 1.00 11.23 C +ATOM 251 C LYS A 36 -12.351 25.457 -50.565 1.00 10.49 C +ATOM 252 O LYS A 36 -13.232 25.556 -49.698 1.00 10.94 O +ATOM 253 CB LYS A 36 -13.324 23.271 -51.074 1.00 13.31 C +ATOM 254 CG LYS A 36 -13.643 22.120 -52.022 1.00 15.72 C +ATOM 255 CD LYS A 36 -15.099 21.695 -51.779 1.00 17.63 C +ATOM 256 CE LYS A 36 -15.509 20.601 -52.750 1.00 19.96 C +ATOM 257 NZ LYS A 36 -16.961 20.708 -53.132 1.00 20.22 N +ATOM 258 N GLY A 37 -11.234 26.110 -50.461 1.00 9.95 N +ATOM 259 CA GLY A 37 -11.003 27.054 -49.362 1.00 9.42 C +ATOM 260 C GLY A 37 -9.838 26.763 -48.426 1.00 9.00 C +ATOM 261 O GLY A 37 -9.420 27.665 -47.663 1.00 8.50 O +ATOM 262 N GLY A 38 -9.316 25.542 -48.437 1.00 8.29 N +ATOM 263 CA GLY A 38 -8.199 25.223 -47.512 1.00 7.62 C +ATOM 264 C GLY A 38 -8.873 25.166 -46.136 1.00 6.97 C +ATOM 265 O GLY A 38 -10.042 24.783 -46.136 1.00 6.79 O +ATOM 266 N ILE A 39 -8.155 25.535 -45.119 1.00 7.47 N +ATOM 267 CA ILE A 39 -8.598 25.549 -43.708 1.00 7.68 C +ATOM 268 C ILE A 39 -8.598 27.005 -43.234 1.00 8.12 C +ATOM 269 O ILE A 39 -7.605 27.594 -42.829 1.00 7.47 O +ATOM 270 CB ILE A 39 -7.733 24.619 -42.829 1.00 8.48 C +ATOM 271 CG1 ILE A 39 -7.916 23.143 -43.384 1.00 8.01 C +ATOM 272 CG2 ILE A 39 -8.052 24.705 -41.315 1.00 7.29 C +ATOM 273 CD1 ILE A 39 -6.552 22.419 -43.442 1.00 8.83 C +ATOM 274 N LYS A 40 -9.799 27.537 -43.454 1.00 8.75 N +ATOM 275 CA LYS A 40 -10.149 28.914 -43.118 1.00 9.27 C +ATOM 276 C LYS A 40 -9.316 29.901 -43.905 1.00 9.74 C +ATOM 277 O LYS A 40 -9.081 31.037 -43.454 1.00 10.49 O +ATOM 278 CB LYS A 40 -10.050 29.042 -41.615 1.00 10.47 C +ATOM 279 CG LYS A 40 -11.262 28.268 -40.933 1.00 11.20 C +ATOM 280 CD LYS A 40 -11.091 28.325 -39.418 1.00 10.94 C +ATOM 281 CE LYS A 40 -10.823 27.097 -38.644 1.00 9.96 C +ATOM 282 NZ LYS A 40 -9.679 27.175 -37.695 1.00 9.37 N +ATOM 283 N GLY A 41 -8.945 29.482 -45.130 1.00 9.21 N +ATOM 284 CA GLY A 41 -8.163 30.192 -46.090 1.00 7.46 C +ATOM 285 C GLY A 41 -6.708 29.795 -46.136 1.00 7.99 C +ATOM 286 O GLY A 41 -5.922 30.320 -46.946 1.00 8.14 O +ATOM 287 N ASN A 42 -6.277 28.943 -45.234 1.00 8.25 N +ATOM 288 CA ASN A 42 -4.953 28.382 -45.084 1.00 8.18 C +ATOM 289 C ASN A 42 -4.873 27.083 -45.951 1.00 8.50 C +ATOM 290 O ASN A 42 -5.527 26.082 -45.604 1.00 8.75 O +ATOM 291 CB ASN A 42 -4.654 27.913 -43.650 1.00 8.26 C +ATOM 292 CG ASN A 42 -4.698 29.063 -42.679 1.00 8.06 C +ATOM 293 OD1 ASN A 42 -3.944 30.015 -42.922 1.00 8.31 O +ATOM 294 ND2 ASN A 42 -5.587 28.957 -41.685 1.00 8.14 N +ATOM 295 N LYS A 43 -4.052 27.161 -46.957 1.00 8.21 N +ATOM 296 CA LYS A 43 -3.836 26.068 -47.882 1.00 8.40 C +ATOM 297 C LYS A 43 -2.764 25.138 -47.304 1.00 8.08 C +ATOM 298 O LYS A 43 -1.846 25.606 -46.599 1.00 7.83 O +ATOM 299 CB LYS A 43 -3.458 26.536 -49.270 1.00 9.49 C +ATOM 300 CG LYS A 43 -4.339 27.679 -49.802 1.00 11.35 C +ATOM 301 CD LYS A 43 -5.815 27.281 -49.825 1.00 11.82 C +ATOM 302 CE LYS A 43 -6.532 28.105 -50.912 1.00 11.24 C +ATOM 303 NZ LYS A 43 -6.480 29.539 -50.484 1.00 12.40 N +ATOM 304 N LEU A 44 -2.987 23.874 -47.616 1.00 7.64 N +ATOM 305 CA LEU A 44 -2.154 22.738 -47.281 1.00 7.24 C +ATOM 306 C LEU A 44 -1.057 22.646 -48.391 1.00 7.22 C +ATOM 307 O LEU A 44 -1.320 22.901 -49.571 1.00 6.86 O +ATOM 308 CB LEU A 44 -2.891 21.389 -47.212 1.00 5.26 C +ATOM 309 CG LEU A 44 -3.848 21.212 -46.032 1.00 5.38 C +ATOM 310 CD1 LEU A 44 -4.582 19.884 -46.136 1.00 4.61 C +ATOM 311 CD2 LEU A 44 -3.007 21.318 -44.772 1.00 5.22 C +ATOM 312 N GLN A 45 0.080 22.248 -47.848 1.00 7.02 N +ATOM 313 CA GLN A 45 1.264 22.071 -48.680 1.00 7.27 C +ATOM 314 C GLN A 45 1.942 20.800 -48.241 1.00 7.05 C +ATOM 315 O GLN A 45 2.429 20.729 -47.108 1.00 7.67 O +ATOM 316 CB GLN A 45 2.110 23.349 -48.622 1.00 8.45 C +ATOM 317 CG GLN A 45 3.342 23.313 -49.513 1.00 9.02 C +ATOM 318 CD GLN A 45 4.467 24.130 -48.900 1.00 10.14 C +ATOM 319 OE1 GLN A 45 5.567 23.604 -48.750 1.00 10.91 O +ATOM 320 NE2 GLN A 45 4.191 25.372 -48.553 1.00 9.23 N +ATOM 321 N ILE A 46 1.902 19.820 -49.096 1.00 7.14 N +ATOM 322 CA ILE A 46 2.485 18.472 -48.969 1.00 7.08 C +ATOM 323 C ILE A 46 4.000 18.720 -49.073 1.00 7.59 C +ATOM 324 O ILE A 46 4.423 19.473 -49.964 1.00 8.16 O +ATOM 325 CB ILE A 46 2.098 17.492 -50.137 1.00 6.59 C +ATOM 326 CG1 ILE A 46 0.562 17.293 -50.241 1.00 6.79 C +ATOM 327 CG2 ILE A 46 2.808 16.093 -50.114 1.00 7.35 C +ATOM 328 CD1 ILE A 46 -0.072 18.017 -51.467 1.00 5.93 C +ATOM 329 N ALA A 47 4.750 18.110 -48.241 1.00 7.94 N +ATOM 330 CA ALA A 47 6.233 18.266 -48.252 1.00 8.23 C +ATOM 331 C ALA A 47 6.644 16.818 -48.021 1.00 8.57 C +ATOM 332 O ALA A 47 6.560 16.335 -46.876 1.00 9.72 O +ATOM 333 CB ALA A 47 6.528 19.295 -47.165 1.00 8.11 C +ATOM 334 N LYS A 48 6.927 16.143 -49.073 1.00 8.33 N +ATOM 335 CA LYS A 48 7.282 14.794 -49.362 1.00 8.49 C +ATOM 336 C LYS A 48 8.654 14.269 -48.969 1.00 8.84 C +ATOM 337 O LYS A 48 9.663 14.979 -49.235 1.00 8.37 O +ATOM 338 CB LYS A 48 7.290 14.645 -50.923 1.00 8.55 C +ATOM 339 CG LYS A 48 6.425 13.453 -51.293 1.00 10.14 C +ATOM 340 CD LYS A 48 5.001 13.907 -51.640 1.00 10.79 C +ATOM 341 CE LYS A 48 4.877 14.226 -53.132 1.00 10.37 C +ATOM 342 NZ LYS A 48 6.054 15.021 -53.560 1.00 9.43 N +ATOM 343 N TYR A 49 8.678 13.041 -48.426 1.00 8.36 N +ATOM 344 CA TYR A 49 9.922 12.423 -48.010 1.00 7.41 C +ATOM 345 C TYR A 49 9.942 10.954 -48.437 1.00 7.97 C +ATOM 346 O TYR A 49 8.873 10.443 -48.784 1.00 7.94 O +ATOM 347 CB TYR A 49 10.122 12.430 -46.506 1.00 8.44 C +ATOM 348 CG TYR A 49 10.026 13.772 -45.847 1.00 8.24 C +ATOM 349 CD1 TYR A 49 11.222 14.368 -45.454 1.00 7.43 C +ATOM 350 CD2 TYR A 49 8.817 14.461 -45.709 1.00 7.95 C +ATOM 351 CE1 TYR A 49 11.206 15.604 -44.853 1.00 8.31 C +ATOM 352 CE2 TYR A 49 8.806 15.724 -45.096 1.00 8.80 C +ATOM 353 CZ TYR A 49 10.006 16.264 -44.645 1.00 9.13 C +ATOM 354 OH TYR A 49 10.050 17.492 -44.043 1.00 10.09 O +ATOM 355 N ASP A 50 11.146 10.428 -48.310 1.00 8.29 N +ATOM 356 CA ASP A 50 11.462 9.058 -48.669 1.00 9.70 C +ATOM 357 C ASP A 50 12.171 8.242 -47.570 1.00 10.36 C +ATOM 358 O ASP A 50 13.280 8.512 -47.165 1.00 10.44 O +ATOM 359 CB ASP A 50 12.239 8.945 -49.975 1.00 9.36 C +ATOM 360 CG ASP A 50 12.032 7.596 -50.634 1.00 9.85 C +ATOM 361 OD1 ASP A 50 12.060 7.546 -51.848 1.00 10.80 O +ATOM 362 OD2 ASP A 50 11.812 6.559 -49.975 1.00 10.10 O +ATOM 363 N ASP A 51 11.477 7.213 -47.223 1.00 11.70 N +ATOM 364 CA ASP A 51 11.653 6.155 -46.264 1.00 13.42 C +ATOM 365 C ASP A 51 12.490 5.012 -46.888 1.00 14.51 C +ATOM 366 O ASP A 51 13.356 4.458 -46.229 1.00 14.71 O +ATOM 367 CB ASP A 51 10.225 5.509 -46.021 1.00 13.15 C +ATOM 368 CG ASP A 51 9.986 5.232 -44.587 1.00 13.21 C +ATOM 369 OD1 ASP A 51 9.065 4.536 -44.148 1.00 13.29 O +ATOM 370 OD2 ASP A 51 10.807 5.835 -43.847 1.00 14.85 O +ATOM 371 N ALA A 52 12.016 4.707 -48.102 1.00 15.35 N +ATOM 372 CA ALA A 52 12.594 3.628 -48.911 1.00 16.30 C +ATOM 373 C ALA A 52 12.231 2.279 -48.287 1.00 16.87 C +ATOM 374 O ALA A 52 12.506 1.171 -48.750 1.00 16.72 O +ATOM 375 CB ALA A 52 14.110 3.876 -48.911 1.00 16.44 C +ATOM 376 N CYS A 53 11.597 2.371 -47.165 1.00 17.99 N +ATOM 377 CA CYS A 53 11.091 1.413 -46.240 1.00 19.40 C +ATOM 378 C CYS A 53 12.215 0.689 -45.489 1.00 20.07 C +ATOM 379 O CYS A 53 12.044 -0.525 -45.362 1.00 20.51 O +ATOM 380 CB CYS A 53 10.034 0.412 -46.645 1.00 19.84 C +ATOM 381 SG CYS A 53 8.335 1.143 -46.668 1.00 21.17 S +ATOM 382 N ASP A 54 13.156 1.477 -45.026 1.00 20.43 N +ATOM 383 CA ASP A 54 14.321 1.044 -44.217 1.00 20.40 C +ATOM 384 C ASP A 54 14.169 1.746 -42.852 1.00 19.99 C +ATOM 385 O ASP A 54 14.098 2.982 -42.829 1.00 20.98 O +ATOM 386 CB ASP A 54 15.613 1.469 -44.899 1.00 21.01 C +ATOM 387 CG ASP A 54 16.877 0.965 -44.240 1.00 21.68 C +ATOM 388 OD1 ASP A 54 17.994 1.299 -44.737 1.00 22.91 O +ATOM 389 OD2 ASP A 54 16.797 0.220 -43.246 1.00 21.08 O +ATOM 390 N PRO A 55 14.086 1.008 -41.777 1.00 19.48 N +ATOM 391 CA PRO A 55 13.898 1.526 -40.424 1.00 18.81 C +ATOM 392 C PRO A 55 14.935 2.506 -39.962 1.00 18.43 C +ATOM 393 O PRO A 55 14.652 3.223 -38.990 1.00 18.28 O +ATOM 394 CB PRO A 55 13.779 0.291 -39.534 1.00 18.28 C +ATOM 395 CG PRO A 55 14.620 -0.696 -40.309 1.00 18.77 C +ATOM 396 CD PRO A 55 14.157 -0.490 -41.766 1.00 19.18 C +ATOM 397 N LYS A 56 16.068 2.577 -40.609 1.00 18.71 N +ATOM 398 CA LYS A 56 17.200 3.493 -40.320 1.00 18.12 C +ATOM 399 C LYS A 56 16.997 4.778 -41.118 1.00 17.77 C +ATOM 400 O LYS A 56 17.244 5.949 -40.760 1.00 16.88 O +ATOM 401 CB LYS A 56 18.532 2.825 -40.621 1.00 19.30 C +ATOM 402 CG LYS A 56 19.725 3.798 -40.621 1.00 20.45 C +ATOM 403 CD LYS A 56 20.893 3.251 -39.800 1.00 20.31 C +ATOM 404 CE LYS A 56 21.491 4.345 -38.909 1.00 21.03 C +ATOM 405 NZ LYS A 56 22.799 3.876 -38.343 1.00 21.29 N +ATOM 406 N GLN A 57 16.443 4.515 -42.309 1.00 17.73 N +ATOM 407 CA GLN A 57 16.072 5.637 -43.176 1.00 18.01 C +ATOM 408 C GLN A 57 14.939 6.389 -42.436 1.00 17.30 C +ATOM 409 O GLN A 57 15.059 7.589 -42.274 1.00 17.66 O +ATOM 410 CB GLN A 57 15.637 5.296 -44.587 1.00 19.32 C +ATOM 411 CG GLN A 57 16.291 6.247 -45.593 1.00 21.60 C +ATOM 412 CD GLN A 57 17.372 5.566 -46.391 1.00 22.99 C +ATOM 413 OE1 GLN A 57 18.544 5.431 -46.067 1.00 23.59 O +ATOM 414 NE2 GLN A 57 16.901 5.090 -47.559 1.00 24.18 N +ATOM 415 N ALA A 58 13.930 5.686 -42.020 1.00 16.65 N +ATOM 416 CA ALA A 58 12.738 6.126 -41.338 1.00 15.90 C +ATOM 417 C ALA A 58 12.985 7.113 -40.228 1.00 15.35 C +ATOM 418 O ALA A 58 12.259 8.114 -40.066 1.00 15.98 O +ATOM 419 CB ALA A 58 11.980 4.920 -40.748 1.00 16.69 C +ATOM 420 N VAL A 59 13.990 6.808 -39.430 1.00 14.83 N +ATOM 421 CA VAL A 59 14.353 7.695 -38.274 1.00 13.57 C +ATOM 422 C VAL A 59 15.019 8.973 -38.794 1.00 12.66 C +ATOM 423 O VAL A 59 14.859 10.102 -38.239 1.00 13.06 O +ATOM 424 CB VAL A 59 15.178 6.886 -37.279 1.00 13.30 C +ATOM 425 CG1 VAL A 59 16.032 7.866 -36.458 1.00 13.61 C +ATOM 426 CG2 VAL A 59 14.313 6.041 -36.354 1.00 13.55 C +ATOM 427 N ALA A 60 15.765 8.789 -39.881 1.00 11.06 N +ATOM 428 CA ALA A 60 16.443 9.868 -40.586 1.00 10.03 C +ATOM 429 C ALA A 60 15.350 10.826 -41.095 1.00 9.79 C +ATOM 430 O ALA A 60 15.414 12.012 -40.771 1.00 10.69 O +ATOM 431 CB ALA A 60 17.336 9.399 -41.696 1.00 8.68 C +ATOM 432 N VAL A 61 14.365 10.357 -41.812 1.00 8.70 N +ATOM 433 CA VAL A 61 13.280 11.202 -42.321 1.00 8.42 C +ATOM 434 C VAL A 61 12.550 11.862 -41.153 1.00 8.85 C +ATOM 435 O VAL A 61 12.135 13.027 -41.291 1.00 9.02 O +ATOM 436 CB VAL A 61 12.339 10.350 -43.211 1.00 7.34 C +ATOM 437 CG1 VAL A 61 11.051 11.039 -43.558 1.00 6.45 C +ATOM 438 CG2 VAL A 61 13.085 9.832 -44.425 1.00 7.41 C +ATOM 439 N ALA A 62 12.411 11.153 -40.020 1.00 9.07 N +ATOM 440 CA ALA A 62 11.697 11.678 -38.829 1.00 8.80 C +ATOM 441 C ALA A 62 12.478 12.778 -38.135 1.00 8.66 C +ATOM 442 O ALA A 62 11.928 13.715 -37.533 1.00 8.34 O +ATOM 443 CB ALA A 62 11.230 10.570 -37.915 1.00 6.95 C +ATOM 444 N ASN A 63 13.791 12.700 -38.239 1.00 9.11 N +ATOM 445 CA ASN A 63 14.692 13.744 -37.649 1.00 8.73 C +ATOM 446 C ASN A 63 14.644 14.993 -38.528 1.00 8.93 C +ATOM 447 O ASN A 63 14.768 16.186 -38.123 1.00 9.29 O +ATOM 448 CB ASN A 63 16.000 12.970 -37.499 1.00 7.55 C +ATOM 449 CG ASN A 63 16.044 12.161 -36.238 1.00 8.40 C +ATOM 450 OD1 ASN A 63 16.881 11.259 -35.996 1.00 9.21 O +ATOM 451 ND2 ASN A 63 15.230 12.544 -35.267 1.00 8.69 N +ATOM 452 N LYS A 64 14.433 14.809 -39.811 1.00 8.77 N +ATOM 453 CA LYS A 64 14.329 15.888 -40.806 1.00 10.17 C +ATOM 454 C LYS A 64 12.961 16.590 -40.713 1.00 10.15 C +ATOM 455 O LYS A 64 12.865 17.833 -40.806 1.00 10.78 O +ATOM 456 CB LYS A 64 14.580 15.384 -42.205 1.00 10.73 C +ATOM 457 CG LYS A 64 14.433 16.455 -43.292 1.00 14.36 C +ATOM 458 CD LYS A 64 15.597 16.349 -44.309 1.00 16.12 C +ATOM 459 CE LYS A 64 15.410 17.329 -45.454 1.00 17.10 C +ATOM 460 NZ LYS A 64 16.299 18.543 -45.292 1.00 18.61 N +ATOM 461 N VAL A 65 11.912 15.802 -40.540 1.00 8.98 N +ATOM 462 CA VAL A 65 10.524 16.264 -40.424 1.00 8.26 C +ATOM 463 C VAL A 65 10.472 17.272 -39.291 1.00 8.95 C +ATOM 464 O VAL A 65 9.898 18.358 -39.384 1.00 9.10 O +ATOM 465 CB VAL A 65 9.603 15.029 -40.309 1.00 5.61 C +ATOM 466 CG1 VAL A 65 8.140 15.263 -39.985 1.00 3.25 C +ATOM 467 CG2 VAL A 65 9.611 14.170 -41.557 1.00 4.36 C +ATOM 468 N VAL A 66 11.138 16.903 -38.204 1.00 9.86 N +ATOM 469 CA VAL A 66 11.234 17.641 -36.967 1.00 9.99 C +ATOM 470 C VAL A 66 11.932 19.004 -37.059 1.00 11.41 C +ATOM 471 O VAL A 66 11.350 20.005 -36.632 1.00 10.97 O +ATOM 472 CB VAL A 66 11.888 16.803 -35.834 1.00 8.77 C +ATOM 473 CG1 VAL A 66 12.008 17.712 -34.620 1.00 7.13 C +ATOM 474 CG2 VAL A 66 11.127 15.533 -35.533 1.00 8.02 C +ATOM 475 N ASN A 67 13.168 18.912 -37.522 1.00 12.79 N +ATOM 476 CA ASN A 67 14.153 19.991 -37.742 1.00 13.22 C +ATOM 477 C ASN A 67 13.679 20.828 -38.921 1.00 12.83 C +ATOM 478 O ASN A 67 14.273 21.872 -39.222 1.00 13.46 O +ATOM 479 CB ASN A 67 15.553 19.430 -37.857 1.00 16.05 C +ATOM 480 CG ASN A 67 16.722 20.182 -38.435 1.00 18.40 C +ATOM 481 OD1 ASN A 67 16.734 20.779 -39.545 1.00 19.76 O +ATOM 482 ND2 ASN A 67 17.894 20.168 -37.765 1.00 18.76 N +ATOM 483 N ASP A 68 12.586 20.417 -39.522 1.00 12.64 N +ATOM 484 CA ASP A 68 12.008 21.162 -40.679 1.00 12.02 C +ATOM 485 C ASP A 68 10.748 21.879 -40.205 1.00 11.34 C +ATOM 486 O ASP A 68 9.974 22.582 -40.864 1.00 10.69 O +ATOM 487 CB ASP A 68 11.749 20.154 -41.766 1.00 15.03 C +ATOM 488 CG ASP A 68 12.518 20.182 -43.037 1.00 17.18 C +ATOM 489 OD1 ASP A 68 12.147 20.892 -43.986 1.00 19.12 O +ATOM 490 OD2 ASP A 68 13.527 19.444 -43.142 1.00 19.30 O +ATOM 491 N GLY A 69 10.441 21.673 -38.944 1.00 11.22 N +ATOM 492 CA GLY A 69 9.264 22.262 -38.297 1.00 10.73 C +ATOM 493 C GLY A 69 7.936 21.666 -38.736 1.00 10.60 C +ATOM 494 O GLY A 69 6.883 22.298 -38.435 1.00 10.69 O +ATOM 495 N ILE A 70 7.928 20.488 -39.326 1.00 9.82 N +ATOM 496 CA ILE A 70 6.652 19.863 -39.788 1.00 9.31 C +ATOM 497 C ILE A 70 6.006 19.274 -38.539 1.00 9.20 C +ATOM 498 O ILE A 70 6.748 18.628 -37.753 1.00 9.91 O +ATOM 499 CB ILE A 70 6.923 18.827 -40.956 1.00 8.23 C +ATOM 500 CG1 ILE A 70 7.055 19.480 -42.321 1.00 7.57 C +ATOM 501 CG2 ILE A 70 5.822 17.726 -41.049 1.00 7.24 C +ATOM 502 CD1 ILE A 70 8.355 19.984 -42.887 1.00 6.14 C +ATOM 503 N LYS A 71 4.722 19.437 -38.343 1.00 8.62 N +ATOM 504 CA LYS A 71 4.012 18.890 -37.187 1.00 8.32 C +ATOM 505 C LYS A 71 2.975 17.826 -37.557 1.00 7.01 C +ATOM 506 O LYS A 71 2.409 17.222 -36.620 1.00 6.37 O +ATOM 507 CB LYS A 71 3.198 19.955 -36.447 1.00 9.84 C +ATOM 508 CG LYS A 71 3.916 21.247 -36.123 1.00 12.47 C +ATOM 509 CD LYS A 71 4.626 21.247 -34.758 1.00 13.93 C +ATOM 510 CE LYS A 71 5.639 22.397 -34.701 1.00 15.99 C +ATOM 511 NZ LYS A 71 6.808 22.021 -33.845 1.00 16.14 N +ATOM 512 N TYR A 72 2.668 17.684 -38.829 1.00 6.52 N +ATOM 513 CA TYR A 72 1.611 16.697 -39.222 1.00 6.12 C +ATOM 514 C TYR A 72 2.217 15.696 -40.193 1.00 5.81 C +ATOM 515 O TYR A 72 2.556 16.115 -41.291 1.00 5.89 O +ATOM 516 CB TYR A 72 0.359 17.357 -39.788 1.00 4.93 C +ATOM 517 CG TYR A 72 -0.016 18.606 -39.048 1.00 5.59 C +ATOM 518 CD1 TYR A 72 0.319 19.849 -39.592 1.00 5.45 C +ATOM 519 CD2 TYR A 72 -0.598 18.606 -37.788 1.00 6.10 C +ATOM 520 CE1 TYR A 72 0.032 21.034 -38.944 1.00 5.05 C +ATOM 521 CE2 TYR A 72 -0.881 19.799 -37.094 1.00 5.66 C +ATOM 522 CZ TYR A 72 -0.554 21.006 -37.684 1.00 5.20 C +ATOM 523 OH TYR A 72 -0.790 22.184 -37.036 1.00 3.77 O +ATOM 524 N VAL A 73 2.341 14.461 -39.800 1.00 5.43 N +ATOM 525 CA VAL A 73 2.939 13.516 -40.760 1.00 6.55 C +ATOM 526 C VAL A 73 1.807 12.558 -41.187 1.00 6.94 C +ATOM 527 O VAL A 73 1.029 12.118 -40.320 1.00 7.04 O +ATOM 528 CB VAL A 73 4.155 12.750 -40.181 1.00 6.71 C +ATOM 529 CG1 VAL A 73 4.542 11.550 -41.037 1.00 5.80 C +ATOM 530 CG2 VAL A 73 5.360 13.637 -39.858 1.00 6.80 C +ATOM 531 N ILE A 74 1.795 12.374 -42.471 1.00 7.46 N +ATOM 532 CA ILE A 74 0.921 11.493 -43.199 1.00 7.78 C +ATOM 533 C ILE A 74 1.866 10.336 -43.627 1.00 8.41 C +ATOM 534 O ILE A 74 2.827 10.514 -44.379 1.00 8.06 O +ATOM 535 CB ILE A 74 0.116 11.948 -44.402 1.00 8.28 C +ATOM 536 CG1 ILE A 74 -0.945 12.970 -44.009 1.00 9.48 C +ATOM 537 CG2 ILE A 74 -0.526 10.684 -45.084 1.00 8.62 C +ATOM 538 CD1 ILE A 74 -1.619 12.736 -42.633 1.00 9.97 C +ATOM 539 N GLY A 75 1.519 9.243 -42.968 1.00 8.95 N +ATOM 540 CA GLY A 75 2.241 8.050 -43.176 1.00 9.06 C +ATOM 541 C GLY A 75 2.820 7.340 -41.927 1.00 10.18 C +ATOM 542 O GLY A 75 2.453 7.269 -40.806 1.00 8.62 O +ATOM 543 N HIS A 76 3.809 6.744 -42.448 1.00 11.93 N +ATOM 544 CA HIS A 76 4.849 5.864 -42.667 1.00 13.78 C +ATOM 545 C HIS A 76 4.148 4.614 -43.269 1.00 14.89 C +ATOM 546 O HIS A 76 3.186 4.132 -42.656 1.00 15.64 O +ATOM 547 CB HIS A 76 5.970 5.608 -41.731 1.00 13.80 C +ATOM 548 CG HIS A 76 6.927 6.744 -41.523 1.00 12.21 C +ATOM 549 ND1 HIS A 76 8.263 6.652 -41.835 1.00 11.79 N +ATOM 550 CD2 HIS A 76 6.696 7.972 -41.026 1.00 12.00 C +ATOM 551 CE1 HIS A 76 8.806 7.823 -41.476 1.00 12.89 C +ATOM 552 NE2 HIS A 76 7.892 8.661 -41.014 1.00 11.24 N +ATOM 553 N LEU A 77 4.590 4.238 -44.437 1.00 15.93 N +ATOM 554 CA LEU A 77 4.088 3.109 -45.234 1.00 16.67 C +ATOM 555 C LEU A 77 4.152 1.690 -44.691 1.00 17.40 C +ATOM 556 O LEU A 77 3.099 1.001 -44.645 1.00 18.32 O +ATOM 557 CB LEU A 77 4.865 3.223 -46.553 1.00 16.53 C +ATOM 558 CG LEU A 77 4.124 3.024 -47.836 1.00 18.30 C +ATOM 559 CD1 LEU A 77 3.262 4.281 -48.148 1.00 17.71 C +ATOM 560 CD2 LEU A 77 5.208 2.861 -48.923 1.00 18.22 C +ATOM 561 N CYS A 78 5.312 1.164 -44.367 1.00 17.20 N +ATOM 562 CA CYS A 78 5.615 -0.163 -43.870 1.00 17.16 C +ATOM 563 C CYS A 78 5.679 -0.241 -42.355 1.00 16.76 C +ATOM 564 O CYS A 78 6.313 0.667 -41.800 1.00 17.05 O +ATOM 565 CB CYS A 78 7.067 -0.497 -44.367 1.00 18.24 C +ATOM 566 SG CYS A 78 7.222 -0.447 -46.125 1.00 19.43 S +ATOM 567 N SER A 79 5.208 -1.278 -41.708 1.00 15.95 N +ATOM 568 CA SER A 79 5.276 -1.391 -40.262 1.00 15.68 C +ATOM 569 C SER A 79 6.692 -1.278 -39.719 1.00 15.48 C +ATOM 570 O SER A 79 6.831 -0.767 -38.574 1.00 15.63 O +ATOM 571 CB SER A 79 4.598 -2.641 -39.696 1.00 16.70 C +ATOM 572 OG SER A 79 3.733 -3.223 -40.667 1.00 18.89 O +ATOM 573 N SER A 80 7.677 -1.725 -40.436 1.00 15.58 N +ATOM 574 CA SER A 80 9.073 -1.704 -40.031 1.00 16.13 C +ATOM 575 C SER A 80 9.663 -0.291 -40.008 1.00 15.91 C +ATOM 576 O SER A 80 10.604 -0.050 -39.210 1.00 16.76 O +ATOM 577 CB SER A 80 9.990 -2.534 -40.968 1.00 16.66 C +ATOM 578 OG SER A 80 10.301 -1.746 -42.124 1.00 18.10 O +ATOM 579 N SER A 81 9.244 0.568 -40.864 1.00 15.45 N +ATOM 580 CA SER A 81 9.743 1.938 -40.979 1.00 15.11 C +ATOM 581 C SER A 81 9.188 2.903 -39.927 1.00 14.89 C +ATOM 582 O SER A 81 9.886 3.805 -39.476 1.00 14.55 O +ATOM 583 CB SER A 81 9.168 2.549 -42.286 1.00 14.50 C +ATOM 584 OG SER A 81 10.070 2.478 -43.338 1.00 14.97 O +ATOM 585 N THR A 82 7.892 2.762 -39.754 1.00 14.97 N +ATOM 586 CA THR A 82 6.955 3.521 -38.979 1.00 14.59 C +ATOM 587 C THR A 82 7.143 3.415 -37.476 1.00 15.27 C +ATOM 588 O THR A 82 7.075 4.430 -36.736 1.00 16.21 O +ATOM 589 CB THR A 82 5.468 3.081 -39.326 1.00 13.37 C +ATOM 590 OG1 THR A 82 5.252 3.315 -40.725 1.00 13.96 O +ATOM 591 CG2 THR A 82 4.367 3.791 -38.563 1.00 14.96 C +ATOM 592 N GLN A 83 7.326 2.179 -37.048 1.00 14.95 N +ATOM 593 CA GLN A 83 7.458 1.910 -35.591 1.00 14.81 C +ATOM 594 C GLN A 83 8.530 2.833 -35.059 1.00 14.62 C +ATOM 595 O GLN A 83 8.191 3.706 -34.238 1.00 14.66 O +ATOM 596 CB GLN A 83 7.573 0.426 -35.360 1.00 15.94 C +ATOM 597 CG GLN A 83 6.373 -0.163 -34.573 1.00 17.47 C +ATOM 598 CD GLN A 83 6.987 -0.667 -33.278 1.00 18.12 C +ATOM 599 OE1 GLN A 83 7.761 0.021 -32.642 1.00 18.69 O +ATOM 600 NE2 GLN A 83 6.708 -1.917 -32.931 1.00 20.47 N +ATOM 601 N PRO A 84 9.747 2.705 -35.626 1.00 14.03 N +ATOM 602 CA PRO A 84 10.903 3.521 -35.290 1.00 13.62 C +ATOM 603 C PRO A 84 10.692 5.033 -35.302 1.00 12.71 C +ATOM 604 O PRO A 84 11.178 5.658 -34.331 1.00 12.46 O +ATOM 605 CB PRO A 84 12.032 3.088 -36.238 1.00 13.55 C +ATOM 606 CG PRO A 84 11.565 1.832 -36.874 1.00 13.55 C +ATOM 607 CD PRO A 84 10.098 1.668 -36.608 1.00 13.61 C +ATOM 608 N ALA A 85 10.082 5.615 -36.296 1.00 11.90 N +ATOM 609 CA ALA A 85 9.803 7.071 -36.331 1.00 11.93 C +ATOM 610 C ALA A 85 8.650 7.454 -35.371 1.00 11.69 C +ATOM 611 O ALA A 85 8.522 8.576 -34.862 1.00 11.53 O +ATOM 612 CB ALA A 85 9.523 7.489 -37.753 1.00 12.61 C +ATOM 613 N SER A 86 7.801 6.503 -35.082 1.00 11.33 N +ATOM 614 CA SER A 86 6.652 6.559 -34.157 1.00 10.72 C +ATOM 615 C SER A 86 7.139 7.198 -32.850 1.00 11.01 C +ATOM 616 O SER A 86 6.512 8.143 -32.330 1.00 11.24 O +ATOM 617 CB SER A 86 6.126 5.147 -33.995 1.00 10.10 C +ATOM 618 OG SER A 86 5.152 4.685 -33.140 1.00 6.52 O +ATOM 619 N ASP A 87 8.215 6.652 -32.295 1.00 10.82 N +ATOM 620 CA ASP A 87 8.865 7.092 -31.047 1.00 10.11 C +ATOM 621 C ASP A 87 9.364 8.547 -31.139 1.00 10.25 C +ATOM 622 O ASP A 87 9.160 9.413 -30.295 1.00 10.10 O +ATOM 623 CB ASP A 87 10.130 6.254 -30.862 1.00 8.74 C +ATOM 624 CG ASP A 87 9.803 4.792 -30.654 1.00 7.96 C +ATOM 625 OD1 ASP A 87 8.698 4.487 -30.156 1.00 6.50 O +ATOM 626 OD2 ASP A 87 10.772 4.096 -31.058 1.00 7.01 O +ATOM 627 N ILE A 88 10.106 8.675 -32.238 1.00 10.39 N +ATOM 628 CA ILE A 88 10.640 9.981 -32.596 1.00 10.64 C +ATOM 629 C ILE A 88 9.499 10.989 -32.654 1.00 11.05 C +ATOM 630 O ILE A 88 9.695 12.040 -32.006 1.00 10.78 O +ATOM 631 CB ILE A 88 11.485 9.910 -33.914 1.00 11.21 C +ATOM 632 CG1 ILE A 88 12.857 9.300 -33.521 1.00 11.64 C +ATOM 633 CG2 ILE A 88 11.585 11.273 -34.608 1.00 10.96 C +ATOM 634 CD1 ILE A 88 13.890 9.278 -34.654 1.00 12.67 C +ATOM 635 N TYR A 89 8.391 10.663 -33.359 1.00 10.95 N +ATOM 636 CA TYR A 89 7.282 11.621 -33.406 1.00 10.80 C +ATOM 637 C TYR A 89 6.616 11.791 -32.053 1.00 11.72 C +ATOM 638 O TYR A 89 6.225 12.956 -31.787 1.00 12.05 O +ATOM 639 CB TYR A 89 6.221 11.493 -34.516 1.00 9.78 C +ATOM 640 CG TYR A 89 6.676 11.295 -35.949 1.00 8.15 C +ATOM 641 CD1 TYR A 89 6.229 10.166 -36.666 1.00 7.19 C +ATOM 642 CD2 TYR A 89 7.561 12.125 -36.608 1.00 6.66 C +ATOM 643 CE1 TYR A 89 6.696 9.882 -37.938 1.00 6.62 C +ATOM 644 CE2 TYR A 89 8.036 11.834 -37.892 1.00 7.71 C +ATOM 645 CZ TYR A 89 7.601 10.712 -38.551 1.00 6.43 C +ATOM 646 OH TYR A 89 8.052 10.457 -39.811 1.00 8.13 O +ATOM 647 N GLU A 90 6.457 10.805 -31.162 1.00 13.17 N +ATOM 648 CA GLU A 90 5.767 11.053 -29.879 1.00 14.02 C +ATOM 649 C GLU A 90 6.640 11.948 -29.000 1.00 14.16 C +ATOM 650 O GLU A 90 6.173 12.927 -28.376 1.00 14.33 O +ATOM 651 CB GLU A 90 5.208 9.882 -29.081 1.00 15.70 C +ATOM 652 CG GLU A 90 3.733 9.988 -28.607 1.00 17.34 C +ATOM 653 CD GLU A 90 3.537 10.045 -27.115 1.00 19.76 C +ATOM 654 OE1 GLU A 90 2.500 9.825 -26.445 1.00 18.49 O +ATOM 655 OE2 GLU A 90 4.650 10.329 -26.560 1.00 19.47 O +ATOM 656 N ASP A 91 7.900 11.628 -28.977 1.00 13.97 N +ATOM 657 CA ASP A 91 8.921 12.352 -28.225 1.00 14.13 C +ATOM 658 C ASP A 91 8.825 13.857 -28.480 1.00 13.83 C +ATOM 659 O ASP A 91 9.121 14.702 -27.601 1.00 14.26 O +ATOM 660 CB ASP A 91 10.289 11.791 -28.699 1.00 15.24 C +ATOM 661 CG ASP A 91 10.788 10.599 -27.913 1.00 16.42 C +ATOM 662 OD1 ASP A 91 10.054 9.804 -27.277 1.00 16.37 O +ATOM 663 OD2 ASP A 91 12.044 10.499 -27.982 1.00 16.88 O +ATOM 664 N GLU A 92 8.415 14.198 -29.694 1.00 12.74 N +ATOM 665 CA GLU A 92 8.319 15.611 -30.064 1.00 11.80 C +ATOM 666 C GLU A 92 7.007 16.157 -30.480 1.00 10.88 C +ATOM 667 O GLU A 92 6.907 17.187 -31.174 1.00 11.45 O +ATOM 668 CB GLU A 92 9.479 15.923 -31.024 1.00 12.42 C +ATOM 669 CG GLU A 92 10.796 15.313 -30.376 1.00 13.37 C +ATOM 670 CD GLU A 92 11.984 16.207 -30.457 1.00 12.75 C +ATOM 671 OE1 GLU A 92 13.125 15.852 -30.619 1.00 13.86 O +ATOM 672 OE2 GLU A 92 11.721 17.414 -30.388 1.00 13.56 O +ATOM 673 N GLY A 93 5.902 15.625 -30.029 1.00 9.47 N +ATOM 674 CA GLY A 93 4.558 16.093 -30.272 1.00 7.50 C +ATOM 675 C GLY A 93 4.355 16.477 -31.717 1.00 5.98 C +ATOM 676 O GLY A 93 4.267 17.641 -32.122 1.00 6.83 O +ATOM 677 N ILE A 94 4.263 15.483 -32.515 1.00 5.36 N +ATOM 678 CA ILE A 94 4.068 15.575 -33.972 1.00 4.97 C +ATOM 679 C ILE A 94 2.999 14.503 -34.169 1.00 4.23 C +ATOM 680 O ILE A 94 3.326 13.453 -33.614 1.00 3.48 O +ATOM 681 CB ILE A 94 5.348 15.220 -34.747 1.00 5.09 C +ATOM 682 CG1 ILE A 94 6.492 16.235 -34.562 1.00 5.94 C +ATOM 683 CG2 ILE A 94 5.105 15.021 -36.308 1.00 6.54 C +ATOM 684 CD1 ILE A 94 7.573 15.980 -35.730 1.00 5.06 C +ATOM 685 N LEU A 95 1.930 14.865 -34.805 1.00 4.23 N +ATOM 686 CA LEU A 95 0.873 13.822 -35.036 1.00 4.78 C +ATOM 687 C LEU A 95 1.280 13.020 -36.273 1.00 4.93 C +ATOM 688 O LEU A 95 1.675 13.616 -37.291 1.00 6.35 O +ATOM 689 CB LEU A 95 -0.475 14.503 -35.117 1.00 3.73 C +ATOM 690 CG LEU A 95 -1.655 13.737 -35.660 1.00 3.73 C +ATOM 691 CD1 LEU A 95 -2.516 13.169 -34.550 1.00 4.09 C +ATOM 692 CD2 LEU A 95 -2.520 14.702 -36.458 1.00 4.16 C +ATOM 693 N MET A 96 1.204 11.728 -36.204 1.00 5.15 N +ATOM 694 CA MET A 96 1.468 10.769 -37.256 1.00 4.78 C +ATOM 695 C MET A 96 0.152 10.073 -37.626 1.00 3.74 C +ATOM 696 O MET A 96 -0.459 9.534 -36.689 1.00 3.65 O +ATOM 697 CB MET A 96 2.445 9.669 -36.782 1.00 5.26 C +ATOM 698 CG MET A 96 2.883 8.909 -38.054 1.00 6.75 C +ATOM 699 SD MET A 96 3.904 7.461 -37.522 1.00 6.73 S +ATOM 700 CE MET A 96 2.496 6.410 -37.036 1.00 6.82 C +ATOM 701 N ILE A 97 -0.275 10.102 -38.852 1.00 4.21 N +ATOM 702 CA ILE A 97 -1.488 9.349 -39.326 1.00 3.61 C +ATOM 703 C ILE A 97 -0.985 8.356 -40.401 1.00 3.61 C +ATOM 704 O ILE A 97 -0.395 8.732 -41.430 1.00 2.00 O +ATOM 705 CB ILE A 97 -2.720 10.173 -39.765 1.00 3.72 C +ATOM 706 CG1 ILE A 97 -3.214 11.216 -38.701 1.00 2.56 C +ATOM 707 CG2 ILE A 97 -3.948 9.264 -40.170 1.00 2.89 C +ATOM 708 CD1 ILE A 97 -4.467 12.047 -39.152 1.00 2.00 C +ATOM 709 N THR A 98 -1.149 7.042 -40.089 1.00 4.16 N +ATOM 710 CA THR A 98 -0.726 6.027 -41.106 1.00 5.14 C +ATOM 711 C THR A 98 -1.866 5.402 -41.893 1.00 4.71 C +ATOM 712 O THR A 98 -2.804 4.898 -41.315 1.00 4.04 O +ATOM 713 CB THR A 98 0.136 4.827 -40.505 1.00 5.25 C +ATOM 714 OG1 THR A 98 1.109 5.622 -39.742 1.00 9.32 O +ATOM 715 CG2 THR A 98 0.794 3.975 -41.581 1.00 2.97 C +ATOM 716 N PRO A 99 -1.699 5.388 -43.211 1.00 5.19 N +ATOM 717 CA PRO A 99 -2.692 4.834 -44.136 1.00 5.28 C +ATOM 718 C PRO A 99 -2.397 3.415 -44.633 1.00 5.79 C +ATOM 719 O PRO A 99 -3.103 2.903 -45.500 1.00 4.46 O +ATOM 720 CB PRO A 99 -2.668 5.871 -45.269 1.00 4.52 C +ATOM 721 CG PRO A 99 -1.204 6.254 -45.327 1.00 4.92 C +ATOM 722 CD PRO A 99 -0.598 6.034 -43.951 1.00 4.89 C +ATOM 723 N ALA A 100 -1.432 2.733 -44.032 1.00 6.86 N +ATOM 724 CA ALA A 100 -1.017 1.384 -44.437 1.00 7.48 C +ATOM 725 C ALA A 100 -0.307 0.483 -43.454 1.00 8.27 C +ATOM 726 O ALA A 100 -0.164 -0.760 -43.789 1.00 9.23 O +ATOM 727 CB ALA A 100 -0.072 1.640 -45.662 1.00 6.40 C +ATOM 728 N ALA A 101 0.215 0.916 -42.332 1.00 7.84 N +ATOM 729 CA ALA A 101 0.917 0.071 -41.326 1.00 7.23 C +ATOM 730 C ALA A 101 -0.191 -0.575 -40.517 1.00 8.05 C +ATOM 731 O ALA A 101 -1.105 0.099 -39.985 1.00 9.05 O +ATOM 732 CB ALA A 101 1.830 0.831 -40.459 1.00 6.01 C +ATOM 733 N THR A 102 -0.060 -1.867 -40.390 1.00 8.45 N +ATOM 734 CA THR A 102 -1.101 -2.712 -39.754 1.00 8.58 C +ATOM 735 C THR A 102 -0.586 -3.528 -38.597 1.00 8.56 C +ATOM 736 O THR A 102 -1.268 -4.458 -38.100 1.00 8.20 O +ATOM 737 CB THR A 102 -1.631 -3.606 -40.968 1.00 8.82 C +ATOM 738 OG1 THR A 102 -0.399 -4.181 -41.569 1.00 9.94 O +ATOM 739 CG2 THR A 102 -2.329 -2.875 -42.112 1.00 9.10 C +ATOM 740 N ALA A 103 0.638 -3.187 -38.204 1.00 9.34 N +ATOM 741 CA ALA A 103 1.328 -3.912 -37.094 1.00 10.40 C +ATOM 742 C ALA A 103 0.618 -3.535 -35.811 1.00 10.92 C +ATOM 743 O ALA A 103 0.542 -2.357 -35.498 1.00 10.85 O +ATOM 744 CB ALA A 103 2.820 -3.542 -37.059 1.00 11.48 C +ATOM 745 N PRO A 104 0.100 -4.522 -35.117 1.00 11.70 N +ATOM 746 CA PRO A 104 -0.666 -4.259 -33.880 1.00 12.21 C +ATOM 747 C PRO A 104 0.096 -3.549 -32.804 1.00 12.81 C +ATOM 748 O PRO A 104 -0.546 -2.804 -32.030 1.00 13.30 O +ATOM 749 CB PRO A 104 -1.220 -5.622 -33.486 1.00 11.78 C +ATOM 750 CG PRO A 104 -1.200 -6.410 -34.770 1.00 11.33 C +ATOM 751 CD PRO A 104 0.116 -5.956 -35.452 1.00 11.46 C +ATOM 752 N GLU A 105 1.400 -3.642 -32.735 1.00 13.65 N +ATOM 753 CA GLU A 105 2.177 -2.989 -31.683 1.00 15.17 C +ATOM 754 C GLU A 105 2.405 -1.505 -31.798 1.00 15.47 C +ATOM 755 O GLU A 105 2.931 -0.902 -30.827 1.00 14.59 O +ATOM 756 CB GLU A 105 3.573 -3.663 -31.683 1.00 18.15 C +ATOM 757 CG GLU A 105 3.980 -3.990 -33.128 1.00 22.37 C +ATOM 758 CD GLU A 105 3.521 -5.289 -33.729 1.00 24.33 C +ATOM 759 OE1 GLU A 105 3.765 -5.587 -34.920 1.00 25.15 O +ATOM 760 OE2 GLU A 105 2.935 -6.027 -32.908 1.00 25.01 O +ATOM 761 N LEU A 106 2.094 -0.951 -32.989 1.00 15.71 N +ATOM 762 CA LEU A 106 2.257 0.490 -33.232 1.00 15.70 C +ATOM 763 C LEU A 106 1.312 1.214 -32.272 1.00 16.23 C +ATOM 764 O LEU A 106 1.535 2.307 -31.706 1.00 17.38 O +ATOM 765 CB LEU A 106 1.974 0.752 -34.712 1.00 15.72 C +ATOM 766 CG LEU A 106 1.858 2.194 -35.186 1.00 16.92 C +ATOM 767 CD1 LEU A 106 3.254 2.776 -35.487 1.00 17.65 C +ATOM 768 CD2 LEU A 106 1.025 2.321 -36.458 1.00 16.01 C +ATOM 769 N THR A 107 0.263 0.511 -31.972 1.00 16.41 N +ATOM 770 CA THR A 107 -0.885 0.902 -31.162 1.00 16.76 C +ATOM 771 C THR A 107 -1.053 0.327 -29.798 1.00 17.25 C +ATOM 772 O THR A 107 -1.986 0.710 -29.046 1.00 17.46 O +ATOM 773 CB THR A 107 -2.074 0.674 -32.203 1.00 15.82 C +ATOM 774 OG1 THR A 107 -2.014 2.009 -32.827 1.00 16.94 O +ATOM 775 CG2 THR A 107 -3.410 0.291 -31.729 1.00 17.37 C +ATOM 776 N ALA A 108 -0.120 -0.504 -29.370 1.00 17.13 N +ATOM 777 CA ALA A 108 -0.044 -1.200 -28.098 1.00 16.67 C +ATOM 778 C ALA A 108 0.810 -0.525 -27.023 1.00 16.20 C +ATOM 779 O ALA A 108 0.822 -0.951 -25.855 1.00 16.65 O +ATOM 780 CB ALA A 108 0.554 -2.591 -28.433 1.00 16.11 C +ATOM 781 N ARG A 109 1.507 0.532 -27.381 1.00 15.87 N +ATOM 782 CA ARG A 109 2.453 1.313 -26.583 1.00 14.07 C +ATOM 783 C ARG A 109 1.998 2.428 -25.739 1.00 13.32 C +ATOM 784 O ARG A 109 2.716 2.776 -24.768 1.00 13.81 O +ATOM 785 CB ARG A 109 3.661 1.682 -27.497 1.00 13.45 C +ATOM 786 CG ARG A 109 4.443 0.355 -27.728 1.00 12.66 C +ATOM 787 CD ARG A 109 5.420 0.511 -28.815 1.00 13.94 C +ATOM 788 NE ARG A 109 4.758 1.072 -29.994 1.00 15.25 N +ATOM 789 CZ ARG A 109 5.436 1.895 -30.804 1.00 15.52 C +ATOM 790 NH1 ARG A 109 6.740 2.045 -30.630 1.00 16.11 N +ATOM 791 NH2 ARG A 109 4.762 2.712 -31.613 1.00 15.88 N +ATOM 792 N GLY A 110 0.873 3.060 -25.936 1.00 12.94 N +ATOM 793 CA GLY A 110 0.415 4.139 -25.045 1.00 12.30 C +ATOM 794 C GLY A 110 0.794 5.502 -25.577 1.00 10.76 C +ATOM 795 O GLY A 110 0.762 6.517 -24.884 1.00 10.94 O +ATOM 796 N TYR A 111 1.176 5.438 -26.815 1.00 9.64 N +ATOM 797 CA TYR A 111 1.499 6.687 -27.589 1.00 9.10 C +ATOM 798 C TYR A 111 0.128 7.355 -27.797 1.00 8.75 C +ATOM 799 O TYR A 111 -0.989 6.758 -27.624 1.00 8.12 O +ATOM 800 CB TYR A 111 2.325 6.183 -28.722 1.00 9.89 C +ATOM 801 CG TYR A 111 3.797 5.913 -28.445 1.00 10.44 C +ATOM 802 CD1 TYR A 111 4.594 5.658 -29.578 1.00 12.39 C +ATOM 803 CD2 TYR A 111 4.443 5.935 -27.254 1.00 11.08 C +ATOM 804 CE1 TYR A 111 5.958 5.431 -29.520 1.00 12.89 C +ATOM 805 CE2 TYR A 111 5.818 5.722 -27.161 1.00 12.64 C +ATOM 806 CZ TYR A 111 6.572 5.473 -28.283 1.00 12.39 C +ATOM 807 OH TYR A 111 7.920 5.232 -28.225 1.00 14.07 O +ATOM 808 N GLN A 112 0.056 8.647 -27.994 1.00 7.99 N +ATOM 809 CA GLN A 112 -1.212 9.356 -28.075 1.00 7.56 C +ATOM 810 C GLN A 112 -1.380 10.109 -29.382 1.00 6.85 C +ATOM 811 O GLN A 112 -2.512 10.606 -29.578 1.00 7.06 O +ATOM 812 CB GLN A 112 -1.300 10.407 -26.907 1.00 9.56 C +ATOM 813 CG GLN A 112 -1.272 9.690 -25.543 1.00 12.61 C +ATOM 814 CD GLN A 112 -0.275 10.329 -24.606 1.00 14.87 C +ATOM 815 OE1 GLN A 112 0.957 10.081 -24.594 1.00 15.66 O +ATOM 816 NE2 GLN A 112 -0.853 11.231 -23.808 1.00 16.67 N +ATOM 817 N LEU A 113 -0.303 10.159 -30.156 1.00 5.29 N +ATOM 818 CA LEU A 113 -0.307 10.925 -31.405 1.00 4.75 C +ATOM 819 C LEU A 113 -0.287 10.059 -32.642 1.00 4.51 C +ATOM 820 O LEU A 113 0.016 10.485 -33.776 1.00 4.71 O +ATOM 821 CB LEU A 113 0.833 11.962 -31.278 1.00 2.88 C +ATOM 822 CG LEU A 113 0.762 13.069 -30.249 1.00 2.00 C +ATOM 823 CD1 LEU A 113 2.026 13.921 -30.364 1.00 2.00 C +ATOM 824 CD2 LEU A 113 -0.459 13.964 -30.457 1.00 2.00 C +ATOM 825 N ILE A 114 -0.586 8.789 -32.492 1.00 4.94 N +ATOM 826 CA ILE A 114 -0.686 7.837 -33.567 1.00 4.22 C +ATOM 827 C ILE A 114 -2.154 7.539 -33.926 1.00 3.97 C +ATOM 828 O ILE A 114 -2.915 7.134 -33.082 1.00 3.44 O +ATOM 829 CB ILE A 114 0.004 6.460 -33.348 1.00 3.48 C +ATOM 830 CG1 ILE A 114 1.352 6.687 -32.677 1.00 4.23 C +ATOM 831 CG2 ILE A 114 0.195 5.814 -34.758 1.00 4.62 C +ATOM 832 CD1 ILE A 114 2.122 7.880 -33.348 1.00 3.74 C +ATOM 833 N LEU A 115 -2.449 7.660 -35.209 1.00 4.44 N +ATOM 834 CA LEU A 115 -3.817 7.284 -35.695 1.00 4.20 C +ATOM 835 C LEU A 115 -3.565 6.460 -36.967 1.00 3.78 C +ATOM 836 O LEU A 115 -2.572 6.723 -37.649 1.00 3.84 O +ATOM 837 CB LEU A 115 -4.706 8.519 -35.764 1.00 3.61 C +ATOM 838 CG LEU A 115 -5.356 9.144 -34.539 1.00 2.09 C +ATOM 839 CD1 LEU A 115 -4.447 10.230 -33.949 1.00 3.64 C +ATOM 840 CD2 LEU A 115 -6.612 9.875 -34.955 1.00 2.61 C +ATOM 841 N ARG A 116 -4.387 5.509 -37.279 1.00 4.45 N +ATOM 842 CA ARG A 116 -4.331 4.671 -38.482 1.00 5.44 C +ATOM 843 C ARG A 116 -5.591 4.998 -39.314 1.00 5.38 C +ATOM 844 O ARG A 116 -6.580 5.338 -38.655 1.00 6.28 O +ATOM 845 CB ARG A 116 -4.494 3.152 -38.274 1.00 6.52 C +ATOM 846 CG ARG A 116 -3.198 2.364 -38.169 1.00 9.07 C +ATOM 847 CD ARG A 116 -3.370 1.129 -37.279 1.00 9.53 C +ATOM 848 NE ARG A 116 -2.102 0.710 -36.782 1.00 9.12 N +ATOM 849 CZ ARG A 116 -1.559 -0.185 -36.030 1.00 7.21 C +ATOM 850 NH1 ARG A 116 -2.102 -1.164 -35.360 1.00 8.29 N +ATOM 851 NH2 ARG A 116 -0.231 -0.149 -35.949 1.00 8.72 N +ATOM 852 N THR A 117 -5.503 4.834 -40.598 1.00 4.89 N +ATOM 853 CA THR A 117 -6.636 5.019 -41.465 1.00 5.15 C +ATOM 854 C THR A 117 -6.752 3.798 -42.413 1.00 5.24 C +ATOM 855 O THR A 117 -7.262 3.997 -43.512 1.00 5.90 O +ATOM 856 CB THR A 117 -6.776 6.318 -42.321 1.00 4.49 C +ATOM 857 OG1 THR A 117 -5.691 6.297 -43.292 1.00 3.32 O +ATOM 858 CG2 THR A 117 -6.863 7.603 -41.511 1.00 4.72 C +ATOM 859 N THR A 118 -6.297 2.676 -41.962 1.00 4.96 N +ATOM 860 CA THR A 118 -6.357 1.370 -42.494 1.00 5.15 C +ATOM 861 C THR A 118 -6.915 0.398 -41.372 1.00 4.68 C +ATOM 862 O THR A 118 -6.405 0.554 -40.274 1.00 4.29 O +ATOM 863 CB THR A 118 -5.005 0.561 -42.760 1.00 4.42 C +ATOM 864 OG1 THR A 118 -3.940 1.370 -42.251 1.00 5.97 O +ATOM 865 CG2 THR A 118 -4.889 -0.057 -44.090 1.00 5.73 C +ATOM 866 N GLY A 119 -7.673 -0.547 -41.789 1.00 4.68 N +ATOM 867 CA GLY A 119 -8.203 -1.675 -41.060 1.00 5.44 C +ATOM 868 C GLY A 119 -6.967 -2.577 -40.736 1.00 6.01 C +ATOM 869 O GLY A 119 -5.870 -2.357 -41.257 1.00 6.22 O +ATOM 870 N LEU A 120 -7.103 -3.535 -39.881 1.00 6.45 N +ATOM 871 CA LEU A 120 -5.998 -4.380 -39.418 1.00 7.82 C +ATOM 872 C LEU A 120 -6.437 -5.807 -39.754 1.00 8.70 C +ATOM 873 O LEU A 120 -7.665 -5.963 -39.823 1.00 8.19 O +ATOM 874 CB LEU A 120 -5.958 -4.139 -37.927 1.00 8.43 C +ATOM 875 CG LEU A 120 -5.105 -3.216 -37.140 1.00 9.21 C +ATOM 876 CD1 LEU A 120 -5.204 -1.732 -37.429 1.00 10.22 C +ATOM 877 CD2 LEU A 120 -5.535 -3.415 -35.649 1.00 8.43 C +ATOM 878 N ASP A 121 -5.456 -6.694 -39.835 1.00 9.50 N +ATOM 879 CA ASP A 121 -5.771 -8.086 -40.181 1.00 10.41 C +ATOM 880 C ASP A 121 -6.839 -8.618 -39.268 1.00 10.47 C +ATOM 881 O ASP A 121 -7.765 -9.271 -39.800 1.00 11.70 O +ATOM 882 CB ASP A 121 -4.546 -8.980 -40.401 1.00 11.61 C +ATOM 883 CG ASP A 121 -3.697 -8.320 -41.500 1.00 13.60 C +ATOM 884 OD1 ASP A 121 -4.279 -7.568 -42.321 1.00 13.49 O +ATOM 885 OD2 ASP A 121 -2.469 -8.540 -41.488 1.00 14.85 O +ATOM 886 N SER A 122 -6.688 -8.348 -38.008 1.00 10.09 N +ATOM 887 CA SER A 122 -7.581 -8.796 -36.944 1.00 9.58 C +ATOM 888 C SER A 122 -9.037 -8.533 -37.325 1.00 9.00 C +ATOM 889 O SER A 122 -9.918 -9.378 -37.106 1.00 9.05 O +ATOM 890 CB SER A 122 -7.194 -8.157 -35.614 1.00 11.05 C +ATOM 891 OG SER A 122 -7.358 -6.772 -35.498 1.00 11.94 O +ATOM 892 N ASP A 123 -9.196 -7.397 -37.961 1.00 7.95 N +ATOM 893 CA ASP A 123 -10.437 -6.843 -38.447 1.00 6.77 C +ATOM 894 C ASP A 123 -11.190 -7.759 -39.395 1.00 6.77 C +ATOM 895 O ASP A 123 -12.431 -7.525 -39.499 1.00 6.61 O +ATOM 896 CB ASP A 123 -10.145 -5.488 -39.071 1.00 6.76 C +ATOM 897 CG ASP A 123 -10.026 -4.337 -38.123 1.00 5.65 C +ATOM 898 OD1 ASP A 123 -9.491 -3.308 -38.493 1.00 3.99 O +ATOM 899 OD2 ASP A 123 -10.528 -4.458 -36.978 1.00 6.27 O +ATOM 900 N GLN A 124 -10.520 -8.682 -40.054 1.00 6.00 N +ATOM 901 CA GLN A 124 -11.174 -9.605 -41.002 1.00 6.29 C +ATOM 902 C GLN A 124 -12.012 -10.727 -40.366 1.00 5.79 C +ATOM 903 O GLN A 124 -12.889 -11.273 -41.060 1.00 5.21 O +ATOM 904 CB GLN A 124 -10.118 -10.208 -41.951 1.00 7.01 C +ATOM 905 CG GLN A 124 -9.344 -9.321 -42.876 1.00 6.87 C +ATOM 906 CD GLN A 124 -8.291 -9.924 -43.731 1.00 6.99 C +ATOM 907 OE1 GLN A 124 -8.407 -11.003 -44.286 1.00 8.26 O +ATOM 908 NE2 GLN A 124 -7.119 -9.278 -43.916 1.00 8.54 N +ATOM 909 N GLY A 125 -11.836 -11.110 -39.141 1.00 5.51 N +ATOM 910 CA GLY A 125 -12.486 -12.182 -38.366 1.00 5.45 C +ATOM 911 C GLY A 125 -13.938 -11.855 -38.135 1.00 5.92 C +ATOM 912 O GLY A 125 -14.851 -12.594 -38.505 1.00 6.13 O +ATOM 913 N PRO A 126 -14.078 -10.691 -37.545 1.00 6.59 N +ATOM 914 CA PRO A 126 -15.410 -10.088 -37.291 1.00 6.70 C +ATOM 915 C PRO A 126 -16.068 -9.875 -38.644 1.00 6.96 C +ATOM 916 O PRO A 126 -17.312 -10.073 -38.771 1.00 8.22 O +ATOM 917 CB PRO A 126 -15.130 -8.838 -36.493 1.00 5.42 C +ATOM 918 CG PRO A 126 -13.802 -9.101 -35.892 1.00 5.05 C +ATOM 919 CD PRO A 126 -13.029 -9.768 -37.025 1.00 6.23 C +ATOM 920 N THR A 127 -15.286 -9.513 -39.661 1.00 6.84 N +ATOM 921 CA THR A 127 -15.964 -9.321 -40.968 1.00 6.56 C +ATOM 922 C THR A 127 -16.562 -10.698 -41.361 1.00 6.55 C +ATOM 923 O THR A 127 -17.786 -10.819 -41.442 1.00 6.49 O +ATOM 924 CB THR A 127 -15.202 -8.625 -42.136 1.00 5.44 C +ATOM 925 OG1 THR A 127 -14.644 -7.369 -41.650 1.00 5.50 O +ATOM 926 CG2 THR A 127 -16.116 -8.356 -43.338 1.00 4.42 C +ATOM 927 N ALA A 128 -15.729 -11.699 -41.511 1.00 6.51 N +ATOM 928 CA ALA A 128 -16.139 -13.062 -41.870 1.00 6.41 C +ATOM 929 C ALA A 128 -17.348 -13.538 -41.060 1.00 6.11 C +ATOM 930 O ALA A 128 -18.417 -13.850 -41.627 1.00 6.36 O +ATOM 931 CB ALA A 128 -14.935 -13.992 -41.800 1.00 5.57 C +ATOM 932 N ALA A 129 -17.220 -13.580 -39.765 1.00 6.23 N +ATOM 933 CA ALA A 129 -18.197 -14.042 -38.782 1.00 5.70 C +ATOM 934 C ALA A 129 -19.549 -13.453 -39.037 1.00 5.83 C +ATOM 935 O ALA A 129 -20.562 -14.170 -39.071 1.00 5.95 O +ATOM 936 CB ALA A 129 -17.723 -13.758 -37.360 1.00 5.06 C +ATOM 937 N LYS A 130 -19.533 -12.153 -39.268 1.00 6.58 N +ATOM 938 CA LYS A 130 -20.777 -11.401 -39.522 1.00 6.46 C +ATOM 939 C LYS A 130 -21.503 -11.813 -40.771 1.00 5.88 C +ATOM 940 O LYS A 130 -22.728 -11.955 -40.760 1.00 5.39 O +ATOM 941 CB LYS A 130 -20.466 -9.917 -39.499 1.00 9.12 C +ATOM 942 CG LYS A 130 -21.583 -8.952 -39.915 1.00 11.04 C +ATOM 943 CD LYS A 130 -21.412 -7.660 -39.152 1.00 12.50 C +ATOM 944 CE LYS A 130 -22.038 -6.446 -39.777 1.00 14.22 C +ATOM 945 NZ LYS A 130 -21.575 -6.268 -41.187 1.00 15.73 N +ATOM 946 N TYR A 131 -20.750 -11.976 -41.835 1.00 6.23 N +ATOM 947 CA TYR A 131 -21.168 -12.310 -43.199 1.00 6.02 C +ATOM 948 C TYR A 131 -21.806 -13.673 -43.176 1.00 5.90 C +ATOM 949 O TYR A 131 -22.923 -13.893 -43.650 1.00 6.36 O +ATOM 950 CB TYR A 131 -19.952 -12.196 -44.205 1.00 6.66 C +ATOM 951 CG TYR A 131 -20.454 -12.260 -45.639 1.00 6.38 C +ATOM 952 CD1 TYR A 131 -20.486 -13.460 -46.333 1.00 6.05 C +ATOM 953 CD2 TYR A 131 -21.029 -11.131 -46.229 1.00 6.52 C +ATOM 954 CE1 TYR A 131 -21.077 -13.559 -47.605 1.00 7.70 C +ATOM 955 CE2 TYR A 131 -21.627 -11.209 -47.489 1.00 7.69 C +ATOM 956 CZ TYR A 131 -21.627 -12.409 -48.195 1.00 7.96 C +ATOM 957 OH TYR A 131 -22.185 -12.437 -49.443 1.00 8.15 O +ATOM 958 N ILE A 132 -21.101 -14.603 -42.529 1.00 5.41 N +ATOM 959 CA ILE A 132 -21.571 -15.987 -42.390 1.00 5.55 C +ATOM 960 C ILE A 132 -22.911 -16.065 -41.673 1.00 6.14 C +ATOM 961 O ILE A 132 -23.832 -16.768 -42.043 1.00 6.74 O +ATOM 962 CB ILE A 132 -20.478 -16.825 -41.638 1.00 5.17 C +ATOM 963 CG1 ILE A 132 -19.150 -16.839 -42.448 1.00 5.21 C +ATOM 964 CG2 ILE A 132 -20.957 -18.252 -41.291 1.00 4.81 C +ATOM 965 CD1 ILE A 132 -17.958 -17.506 -41.696 1.00 2.71 C +ATOM 966 N LEU A 133 -23.007 -15.384 -40.575 1.00 7.29 N +ATOM 967 CA LEU A 133 -24.072 -15.256 -39.626 1.00 7.93 C +ATOM 968 C LEU A 133 -25.344 -14.738 -40.262 1.00 9.62 C +ATOM 969 O LEU A 133 -26.361 -15.497 -40.216 1.00 10.11 O +ATOM 970 CB LEU A 133 -23.593 -14.418 -38.435 1.00 7.93 C +ATOM 971 CG LEU A 133 -22.967 -15.305 -37.348 1.00 8.32 C +ATOM 972 CD1 LEU A 133 -22.764 -14.581 -36.053 1.00 6.10 C +ATOM 973 CD2 LEU A 133 -23.920 -16.505 -37.187 1.00 8.62 C +ATOM 974 N GLU A 134 -25.188 -13.573 -40.864 1.00 9.84 N +ATOM 975 CA GLU A 134 -26.285 -12.885 -41.523 1.00 10.61 C +ATOM 976 C GLU A 134 -26.556 -13.169 -42.991 1.00 10.39 C +ATOM 977 O GLU A 134 -27.725 -13.055 -43.465 1.00 10.47 O +ATOM 978 CB GLU A 134 -25.994 -11.365 -41.488 1.00 12.31 C +ATOM 979 CG GLU A 134 -25.583 -10.727 -40.147 1.00 14.41 C +ATOM 980 CD GLU A 134 -25.491 -9.207 -40.228 1.00 16.24 C +ATOM 981 OE1 GLU A 134 -25.535 -8.434 -39.291 1.00 15.94 O +ATOM 982 OE2 GLU A 134 -25.388 -8.831 -41.453 1.00 17.16 O +ATOM 983 N LYS A 135 -25.571 -13.474 -43.801 1.00 10.33 N +ATOM 984 CA LYS A 135 -25.778 -13.651 -45.234 1.00 10.53 C +ATOM 985 C LYS A 135 -25.687 -15.071 -45.720 1.00 10.78 C +ATOM 986 O LYS A 135 -26.664 -15.469 -46.414 1.00 10.60 O +ATOM 987 CB LYS A 135 -24.965 -12.679 -46.079 1.00 11.12 C +ATOM 988 CG LYS A 135 -25.922 -11.536 -46.541 1.00 10.97 C +ATOM 989 CD LYS A 135 -25.220 -10.208 -46.506 1.00 12.60 C +ATOM 990 CE LYS A 135 -26.145 -9.080 -46.079 1.00 13.58 C +ATOM 991 NZ LYS A 135 -26.034 -7.944 -47.085 1.00 12.99 N +ATOM 992 N VAL A 136 -24.642 -15.781 -45.315 1.00 10.64 N +ATOM 993 CA VAL A 136 -24.518 -17.158 -45.743 1.00 10.63 C +ATOM 994 C VAL A 136 -25.447 -18.088 -44.980 1.00 11.56 C +ATOM 995 O VAL A 136 -25.982 -18.983 -45.674 1.00 12.56 O +ATOM 996 CB VAL A 136 -23.091 -17.740 -45.697 1.00 9.94 C +ATOM 997 CG1 VAL A 136 -22.979 -18.997 -46.564 1.00 9.51 C +ATOM 998 CG2 VAL A 136 -22.026 -16.747 -46.032 1.00 9.23 C +ATOM 999 N LYS A 137 -25.531 -17.946 -43.685 1.00 12.22 N +ATOM 1000 CA LYS A 137 -26.301 -18.819 -42.783 1.00 12.52 C +ATOM 1001 C LYS A 137 -26.125 -20.310 -43.061 1.00 12.96 C +ATOM 1002 O LYS A 137 -27.114 -21.049 -43.303 1.00 13.41 O +ATOM 1003 CB LYS A 137 -27.772 -18.436 -42.760 1.00 12.47 C +ATOM 1004 CG LYS A 137 -28.060 -17.109 -42.008 1.00 12.62 C +ATOM 1005 CD LYS A 137 -29.499 -16.725 -42.251 1.00 12.71 C +ATOM 1006 CE LYS A 137 -29.930 -15.320 -42.043 1.00 13.38 C +ATOM 1007 NZ LYS A 137 -30.767 -14.858 -43.222 1.00 14.12 N +ATOM 1008 N PRO A 138 -24.889 -20.807 -43.014 1.00 12.85 N +ATOM 1009 CA PRO A 138 -24.550 -22.213 -43.269 1.00 13.07 C +ATOM 1010 C PRO A 138 -25.196 -23.121 -42.251 1.00 13.45 C +ATOM 1011 O PRO A 138 -25.735 -22.525 -41.291 1.00 14.78 O +ATOM 1012 CB PRO A 138 -23.023 -22.277 -43.211 1.00 12.89 C +ATOM 1013 CG PRO A 138 -22.568 -20.871 -43.373 1.00 12.92 C +ATOM 1014 CD PRO A 138 -23.673 -20.005 -42.737 1.00 12.82 C +ATOM 1015 N GLN A 139 -25.148 -24.428 -42.332 1.00 13.66 N +ATOM 1016 CA GLN A 139 -25.774 -25.400 -41.442 1.00 13.47 C +ATOM 1017 C GLN A 139 -24.773 -26.103 -40.517 1.00 11.73 C +ATOM 1018 O GLN A 139 -25.092 -26.373 -39.360 1.00 11.47 O +ATOM 1019 CB GLN A 139 -26.532 -26.515 -42.182 1.00 17.15 C +ATOM 1020 CG GLN A 139 -27.964 -26.579 -42.517 1.00 20.84 C +ATOM 1021 CD GLN A 139 -28.470 -27.431 -43.662 1.00 23.04 C +ATOM 1022 OE1 GLN A 139 -29.539 -28.084 -43.627 1.00 23.50 O +ATOM 1023 NE2 GLN A 139 -27.816 -27.502 -44.841 1.00 23.47 N +ATOM 1024 N ARG A 140 -23.613 -26.451 -41.037 1.00 10.14 N +ATOM 1025 CA ARG A 140 -22.592 -27.182 -40.251 1.00 7.98 C +ATOM 1026 C ARG A 140 -21.256 -26.671 -40.713 1.00 6.65 C +ATOM 1027 O ARG A 140 -20.813 -26.962 -41.846 1.00 6.19 O +ATOM 1028 CB ARG A 140 -22.692 -28.680 -40.586 1.00 9.50 C +ATOM 1029 CG ARG A 140 -24.159 -29.148 -40.690 1.00 10.32 C +ATOM 1030 CD ARG A 140 -24.191 -30.604 -40.806 1.00 12.00 C +ATOM 1031 NE ARG A 140 -23.154 -31.328 -40.112 1.00 13.78 N +ATOM 1032 CZ ARG A 140 -22.967 -31.576 -38.817 1.00 15.15 C +ATOM 1033 NH1 ARG A 140 -23.629 -31.016 -37.788 1.00 15.42 N +ATOM 1034 NH2 ARG A 140 -22.221 -32.662 -38.493 1.00 14.86 N +ATOM 1035 N ILE A 141 -20.658 -25.897 -39.835 1.00 5.58 N +ATOM 1036 CA ILE A 141 -19.370 -25.251 -40.135 1.00 4.49 C +ATOM 1037 C ILE A 141 -18.121 -25.904 -39.615 1.00 4.08 C +ATOM 1038 O ILE A 141 -17.982 -26.224 -38.424 1.00 4.65 O +ATOM 1039 CB ILE A 141 -19.545 -23.782 -39.569 1.00 3.85 C +ATOM 1040 CG1 ILE A 141 -20.797 -23.114 -40.205 1.00 4.02 C +ATOM 1041 CG2 ILE A 141 -18.281 -22.930 -39.638 1.00 3.79 C +ATOM 1042 CD1 ILE A 141 -21.232 -21.837 -39.372 1.00 4.45 C +ATOM 1043 N ALA A 142 -17.101 -26.068 -40.436 1.00 4.13 N +ATOM 1044 CA ALA A 142 -15.796 -26.572 -39.973 1.00 4.40 C +ATOM 1045 C ALA A 142 -14.823 -25.386 -40.020 1.00 4.40 C +ATOM 1046 O ALA A 142 -15.015 -24.548 -40.956 1.00 5.29 O +ATOM 1047 CB ALA A 142 -15.330 -27.679 -40.921 1.00 5.23 C +ATOM 1048 N ILE A 143 -13.866 -25.216 -39.175 1.00 3.83 N +ATOM 1049 CA ILE A 143 -12.941 -24.059 -39.314 1.00 3.86 C +ATOM 1050 C ILE A 143 -11.545 -24.690 -39.349 1.00 4.58 C +ATOM 1051 O ILE A 143 -11.358 -25.493 -38.366 1.00 4.68 O +ATOM 1052 CB ILE A 143 -13.085 -23.015 -38.146 1.00 2.62 C +ATOM 1053 CG1 ILE A 143 -14.512 -22.468 -38.089 1.00 2.35 C +ATOM 1054 CG2 ILE A 143 -12.016 -21.908 -38.354 1.00 2.59 C +ATOM 1055 CD1 ILE A 143 -14.819 -21.368 -37.048 1.00 2.27 C +ATOM 1056 N VAL A 144 -10.756 -24.413 -40.343 1.00 3.99 N +ATOM 1057 CA VAL A 144 -9.424 -25.017 -40.436 1.00 4.67 C +ATOM 1058 C VAL A 144 -8.403 -23.888 -40.598 1.00 6.03 C +ATOM 1059 O VAL A 144 -8.690 -22.837 -41.199 1.00 5.83 O +ATOM 1060 CB VAL A 144 -9.340 -26.131 -41.476 1.00 4.75 C +ATOM 1061 CG1 VAL A 144 -9.986 -25.762 -42.829 1.00 6.45 C +ATOM 1062 CG2 VAL A 144 -7.904 -26.579 -41.754 1.00 2.68 C +ATOM 1063 N HIS A 145 -7.210 -24.115 -40.031 1.00 6.43 N +ATOM 1064 CA HIS A 145 -6.138 -23.121 -40.066 1.00 7.10 C +ATOM 1065 C HIS A 145 -4.814 -23.853 -40.251 1.00 8.43 C +ATOM 1066 O HIS A 145 -4.778 -25.102 -40.251 1.00 8.16 O +ATOM 1067 CB HIS A 145 -6.126 -22.234 -38.794 1.00 6.23 C +ATOM 1068 CG HIS A 145 -6.038 -23.114 -37.568 1.00 5.13 C +ATOM 1069 ND1 HIS A 145 -4.829 -23.583 -37.094 1.00 4.49 N +ATOM 1070 CD2 HIS A 145 -7.019 -23.583 -36.759 1.00 3.29 C +ATOM 1071 CE1 HIS A 145 -5.081 -24.335 -36.030 1.00 3.72 C +ATOM 1072 NE2 HIS A 145 -6.385 -24.350 -35.845 1.00 3.54 N +ATOM 1073 N ASP A 146 -3.777 -23.043 -40.459 1.00 9.12 N +ATOM 1074 CA ASP A 146 -2.457 -23.604 -40.748 1.00 10.45 C +ATOM 1075 C ASP A 146 -1.591 -23.576 -39.499 1.00 11.48 C +ATOM 1076 O ASP A 146 -0.395 -23.846 -39.603 1.00 11.27 O +ATOM 1077 CB ASP A 146 -1.834 -22.972 -41.974 1.00 12.91 C +ATOM 1078 CG ASP A 146 -1.535 -21.517 -42.008 1.00 14.75 C +ATOM 1079 OD1 ASP A 146 -0.913 -21.006 -42.968 1.00 15.89 O +ATOM 1080 OD2 ASP A 146 -1.886 -20.736 -41.072 1.00 16.47 O +ATOM 1081 N LYS A 147 -2.213 -23.320 -38.401 1.00 12.64 N +ATOM 1082 CA LYS A 147 -1.539 -23.207 -37.106 1.00 14.49 C +ATOM 1083 C LYS A 147 -0.407 -22.170 -37.268 1.00 15.45 C +ATOM 1084 O LYS A 147 0.562 -22.156 -36.528 1.00 15.95 O +ATOM 1085 CB LYS A 147 -1.133 -24.371 -36.308 1.00 15.61 C +ATOM 1086 CG LYS A 147 -0.235 -25.493 -36.724 1.00 15.55 C +ATOM 1087 CD LYS A 147 -1.029 -26.763 -37.036 1.00 15.46 C +ATOM 1088 CE LYS A 147 -0.128 -27.970 -36.944 1.00 15.73 C +ATOM 1089 NZ LYS A 147 -0.885 -29.099 -36.331 1.00 16.52 N +ATOM 1090 N GLN A 148 -0.594 -21.318 -38.285 1.00 16.21 N +ATOM 1091 CA GLN A 148 0.363 -20.204 -38.459 1.00 16.01 C +ATOM 1092 C GLN A 148 -0.399 -19.111 -37.638 1.00 15.61 C +ATOM 1093 O GLN A 148 -1.595 -19.224 -37.348 1.00 15.25 O +ATOM 1094 CB GLN A 148 0.650 -19.671 -39.788 1.00 18.33 C +ATOM 1095 CG GLN A 148 2.102 -19.536 -40.228 1.00 21.05 C +ATOM 1096 CD GLN A 148 2.221 -20.715 -41.211 1.00 23.01 C +ATOM 1097 OE1 GLN A 148 1.986 -20.530 -42.413 1.00 24.39 O +ATOM 1098 NE2 GLN A 148 2.433 -21.851 -40.551 1.00 24.72 N +ATOM 1099 N GLN A 149 0.327 -18.102 -37.337 1.00 15.40 N +ATOM 1100 CA GLN A 149 -0.255 -17.038 -36.458 1.00 16.24 C +ATOM 1101 C GLN A 149 -1.360 -16.306 -37.129 1.00 16.01 C +ATOM 1102 O GLN A 149 -2.516 -16.285 -36.597 1.00 16.87 O +ATOM 1103 CB GLN A 149 0.997 -16.299 -35.972 1.00 18.26 C +ATOM 1104 CG GLN A 149 2.102 -17.371 -36.285 1.00 21.34 C +ATOM 1105 CD GLN A 149 2.568 -18.188 -35.117 1.00 23.00 C +ATOM 1106 OE1 GLN A 149 3.190 -19.252 -35.302 1.00 23.42 O +ATOM 1107 NE2 GLN A 149 2.337 -17.691 -33.891 1.00 24.07 N +ATOM 1108 N TYR A 150 -1.057 -15.696 -38.262 1.00 14.59 N +ATOM 1109 CA TYR A 150 -2.010 -14.958 -39.071 1.00 12.67 C +ATOM 1110 C TYR A 150 -3.346 -15.724 -39.071 1.00 12.17 C +ATOM 1111 O TYR A 150 -4.399 -15.284 -38.563 1.00 12.25 O +ATOM 1112 CB TYR A 150 -1.476 -14.936 -40.551 1.00 11.98 C +ATOM 1113 CG TYR A 150 -2.389 -14.290 -41.557 1.00 11.22 C +ATOM 1114 CD1 TYR A 150 -2.516 -12.885 -41.627 1.00 11.22 C +ATOM 1115 CD2 TYR A 150 -3.162 -15.043 -42.436 1.00 10.56 C +ATOM 1116 CE1 TYR A 150 -3.350 -12.281 -42.575 1.00 10.74 C +ATOM 1117 CE2 TYR A 150 -4.020 -14.446 -43.361 1.00 10.74 C +ATOM 1118 CZ TYR A 150 -4.096 -13.062 -43.442 1.00 10.45 C +ATOM 1119 OH TYR A 150 -4.937 -12.523 -44.379 1.00 10.47 O +ATOM 1120 N GLY A 151 -3.202 -16.889 -39.707 1.00 10.80 N +ATOM 1121 CA GLY A 151 -4.275 -17.790 -39.985 1.00 9.69 C +ATOM 1122 C GLY A 151 -4.989 -18.323 -38.794 1.00 9.51 C +ATOM 1123 O GLY A 151 -6.201 -18.514 -38.829 1.00 9.36 O +ATOM 1124 N GLU A 152 -4.215 -18.606 -37.730 1.00 9.79 N +ATOM 1125 CA GLU A 152 -4.845 -19.217 -36.539 1.00 8.48 C +ATOM 1126 C GLU A 152 -5.627 -18.181 -35.764 1.00 7.35 C +ATOM 1127 O GLU A 152 -6.732 -18.486 -35.290 1.00 5.93 O +ATOM 1128 CB GLU A 152 -3.896 -20.033 -35.683 1.00 8.73 C +ATOM 1129 CG GLU A 152 -4.662 -20.999 -34.747 1.00 9.87 C +ATOM 1130 CD GLU A 152 -3.936 -21.893 -33.833 1.00 9.33 C +ATOM 1131 OE1 GLU A 152 -2.728 -21.964 -33.695 1.00 9.44 O +ATOM 1132 OE2 GLU A 152 -4.762 -22.610 -33.186 1.00 10.84 O +ATOM 1133 N GLY A 153 -5.049 -16.995 -35.707 1.00 7.34 N +ATOM 1134 CA GLY A 153 -5.703 -15.852 -35.036 1.00 8.02 C +ATOM 1135 C GLY A 153 -7.015 -15.540 -35.764 1.00 8.34 C +ATOM 1136 O GLY A 153 -8.088 -15.284 -35.175 1.00 9.12 O +ATOM 1137 N LEU A 154 -7.003 -15.533 -37.094 1.00 8.10 N +ATOM 1138 CA LEU A 154 -8.259 -15.277 -37.834 1.00 6.98 C +ATOM 1139 C LEU A 154 -9.204 -16.463 -37.661 1.00 7.00 C +ATOM 1140 O LEU A 154 -10.433 -16.172 -37.476 1.00 8.79 O +ATOM 1141 CB LEU A 154 -7.896 -14.887 -39.233 1.00 6.49 C +ATOM 1142 CG LEU A 154 -7.107 -13.694 -39.638 1.00 6.72 C +ATOM 1143 CD1 LEU A 154 -6.664 -13.808 -41.106 1.00 5.88 C +ATOM 1144 CD2 LEU A 154 -7.948 -12.423 -39.534 1.00 7.32 C +ATOM 1145 N ALA A 155 -8.821 -17.712 -37.695 1.00 5.80 N +ATOM 1146 CA ALA A 155 -9.735 -18.848 -37.499 1.00 5.45 C +ATOM 1147 C ALA A 155 -10.337 -18.812 -36.088 1.00 6.14 C +ATOM 1148 O ALA A 155 -11.521 -19.146 -35.787 1.00 6.43 O +ATOM 1149 CB ALA A 155 -8.997 -20.140 -37.788 1.00 3.60 C +ATOM 1150 N ARG A 156 -9.519 -18.358 -35.163 1.00 6.20 N +ATOM 1151 CA ARG A 156 -9.954 -18.230 -33.718 1.00 5.59 C +ATOM 1152 C ARG A 156 -10.915 -17.080 -33.533 1.00 4.78 C +ATOM 1153 O ARG A 156 -11.956 -17.258 -32.839 1.00 5.11 O +ATOM 1154 CB ARG A 156 -8.730 -18.415 -32.897 1.00 6.28 C +ATOM 1155 CG ARG A 156 -8.494 -17.960 -31.521 1.00 7.96 C +ATOM 1156 CD ARG A 156 -7.055 -18.145 -31.104 1.00 10.18 C +ATOM 1157 NE ARG A 156 -6.688 -19.600 -31.197 1.00 13.10 N +ATOM 1158 CZ ARG A 156 -5.372 -19.835 -30.931 1.00 13.51 C +ATOM 1159 NH1 ARG A 156 -4.694 -18.727 -30.642 1.00 14.84 N +ATOM 1160 NH2 ARG A 156 -4.758 -20.992 -30.954 1.00 13.38 N +ATOM 1161 N ALA A 157 -10.792 -15.944 -34.180 1.00 4.12 N +ATOM 1162 CA ALA A 157 -11.693 -14.809 -34.146 1.00 4.11 C +ATOM 1163 C ALA A 157 -13.021 -15.092 -34.874 1.00 4.47 C +ATOM 1164 O ALA A 157 -14.038 -14.525 -34.481 1.00 4.39 O +ATOM 1165 CB ALA A 157 -11.127 -13.566 -34.862 1.00 3.08 C +ATOM 1166 N VAL A 158 -12.977 -15.831 -35.972 1.00 4.52 N +ATOM 1167 CA VAL A 158 -14.197 -16.164 -36.701 1.00 5.81 C +ATOM 1168 C VAL A 158 -14.963 -17.180 -35.811 1.00 7.29 C +ATOM 1169 O VAL A 158 -16.191 -17.229 -35.683 1.00 6.73 O +ATOM 1170 CB VAL A 158 -13.938 -16.839 -38.077 1.00 5.55 C +ATOM 1171 CG1 VAL A 158 -15.150 -17.698 -38.505 1.00 4.55 C +ATOM 1172 CG2 VAL A 158 -13.543 -15.966 -39.222 1.00 5.21 C +ATOM 1173 N GLN A 159 -14.114 -18.067 -35.232 1.00 9.05 N +ATOM 1174 CA GLN A 159 -14.684 -19.132 -34.400 1.00 10.86 C +ATOM 1175 C GLN A 159 -15.525 -18.535 -33.244 1.00 11.20 C +ATOM 1176 O GLN A 159 -16.586 -19.160 -33.070 1.00 11.79 O +ATOM 1177 CB GLN A 159 -13.771 -20.175 -33.810 1.00 12.53 C +ATOM 1178 CG GLN A 159 -14.572 -21.098 -32.850 1.00 13.89 C +ATOM 1179 CD GLN A 159 -13.579 -22.135 -32.342 1.00 15.73 C +ATOM 1180 OE1 GLN A 159 -13.691 -23.320 -32.631 1.00 15.86 O +ATOM 1181 NE2 GLN A 159 -12.554 -21.616 -31.648 1.00 17.07 N +ATOM 1182 N ASP A 160 -15.003 -17.506 -32.619 1.00 10.66 N +ATOM 1183 CA ASP A 160 -15.637 -16.839 -31.521 1.00 11.08 C +ATOM 1184 C ASP A 160 -16.945 -16.115 -31.879 1.00 10.93 C +ATOM 1185 O ASP A 160 -17.926 -16.228 -31.116 1.00 10.40 O +ATOM 1186 CB ASP A 160 -14.680 -15.809 -30.885 1.00 13.03 C +ATOM 1187 CG ASP A 160 -13.527 -16.420 -30.110 1.00 15.01 C +ATOM 1188 OD1 ASP A 160 -13.611 -17.606 -29.728 1.00 16.58 O +ATOM 1189 OD2 ASP A 160 -12.526 -15.667 -29.879 1.00 14.86 O +ATOM 1190 N GLY A 161 -16.861 -15.327 -32.943 1.00 10.20 N +ATOM 1191 CA GLY A 161 -18.046 -14.581 -33.348 1.00 10.47 C +ATOM 1192 C GLY A 161 -19.083 -15.582 -33.856 1.00 11.58 C +ATOM 1193 O GLY A 161 -20.255 -15.192 -34.041 1.00 11.92 O +ATOM 1194 N LEU A 162 -18.632 -16.810 -34.111 1.00 11.89 N +ATOM 1195 CA LEU A 162 -19.537 -17.840 -34.654 1.00 12.45 C +ATOM 1196 C LEU A 162 -20.371 -18.344 -33.498 1.00 13.74 C +ATOM 1197 O LEU A 162 -21.571 -18.564 -33.752 1.00 14.47 O +ATOM 1198 CB LEU A 162 -18.915 -18.890 -35.545 1.00 9.76 C +ATOM 1199 CG LEU A 162 -18.596 -18.642 -37.013 1.00 7.64 C +ATOM 1200 CD1 LEU A 162 -18.153 -19.891 -37.765 1.00 5.68 C +ATOM 1201 CD2 LEU A 162 -19.832 -18.074 -37.719 1.00 7.42 C +ATOM 1202 N LYS A 163 -19.808 -18.479 -32.284 1.00 15.22 N +ATOM 1203 CA LYS A 163 -20.698 -18.961 -31.232 1.00 17.06 C +ATOM 1204 C LYS A 163 -21.479 -17.875 -30.503 1.00 17.48 C +ATOM 1205 O LYS A 163 -22.572 -18.237 -30.006 1.00 17.41 O +ATOM 1206 CB LYS A 163 -20.371 -20.083 -30.295 1.00 19.37 C +ATOM 1207 CG LYS A 163 -21.782 -20.615 -29.752 1.00 19.20 C +ATOM 1208 CD LYS A 163 -21.858 -22.085 -30.064 1.00 20.09 C +ATOM 1209 CE LYS A 163 -20.554 -22.788 -29.694 1.00 20.94 C +ATOM 1210 NZ LYS A 163 -20.766 -24.286 -29.763 1.00 22.76 N +ATOM 1211 N LYS A 164 -20.941 -16.676 -30.434 1.00 18.04 N +ATOM 1212 CA LYS A 164 -21.866 -15.589 -29.867 1.00 18.49 C +ATOM 1213 C LYS A 164 -22.676 -15.568 -31.151 1.00 18.46 C +ATOM 1214 O LYS A 164 -21.898 -15.305 -32.145 1.00 20.19 O +ATOM 1215 CB LYS A 164 -21.132 -14.283 -29.786 1.00 19.41 C +ATOM 1216 CG LYS A 164 -19.920 -14.297 -28.838 1.00 20.48 C +ATOM 1217 CD LYS A 164 -19.761 -12.863 -28.318 1.00 21.90 C +ATOM 1218 CE LYS A 164 -21.120 -12.295 -27.959 1.00 22.65 C +ATOM 1219 NZ LYS A 164 -21.763 -13.169 -26.919 1.00 23.32 N +ATOM 1220 N GLY A 165 -23.864 -15.930 -31.324 1.00 18.31 N +ATOM 1221 CA GLY A 165 -24.399 -15.937 -32.758 1.00 16.65 C +ATOM 1222 C GLY A 165 -25.033 -17.322 -32.897 1.00 16.43 C +ATOM 1223 O GLY A 165 -25.898 -17.520 -33.729 1.00 16.48 O +ATOM 1224 N ASN A 166 -24.614 -18.195 -32.018 1.00 16.10 N +ATOM 1225 CA ASN A 166 -25.009 -19.558 -31.764 1.00 15.67 C +ATOM 1226 C ASN A 166 -24.925 -20.474 -32.989 1.00 15.76 C +ATOM 1227 O ASN A 166 -25.818 -21.311 -33.220 1.00 15.70 O +ATOM 1228 CB ASN A 166 -26.341 -19.700 -31.024 1.00 15.15 C +ATOM 1229 CG ASN A 166 -26.676 -18.770 -29.902 1.00 15.01 C +ATOM 1230 OD1 ASN A 166 -25.902 -18.394 -29.012 1.00 14.26 O +ATOM 1231 ND2 ASN A 166 -27.924 -18.287 -29.856 1.00 15.12 N +ATOM 1232 N ALA A 167 -23.836 -20.339 -33.741 1.00 15.66 N +ATOM 1233 CA ALA A 167 -23.601 -21.205 -34.886 1.00 15.64 C +ATOM 1234 C ALA A 167 -23.063 -22.568 -34.423 1.00 15.74 C +ATOM 1235 O ALA A 167 -22.500 -22.766 -33.359 1.00 16.33 O +ATOM 1236 CB ALA A 167 -22.632 -20.608 -35.880 1.00 16.92 C +ATOM 1237 N ASN A 168 -23.246 -23.505 -35.337 1.00 15.51 N +ATOM 1238 CA ASN A 168 -22.911 -24.917 -35.313 1.00 13.62 C +ATOM 1239 C ASN A 168 -21.555 -25.145 -35.961 1.00 12.55 C +ATOM 1240 O ASN A 168 -21.388 -25.507 -37.117 1.00 11.32 O +ATOM 1241 CB ASN A 168 -24.056 -25.734 -35.949 1.00 14.00 C +ATOM 1242 CG ASN A 168 -23.956 -27.232 -35.649 1.00 15.20 C +ATOM 1243 OD1 ASN A 168 -24.367 -28.048 -36.516 1.00 15.73 O +ATOM 1244 ND2 ASN A 168 -23.390 -27.587 -34.492 1.00 13.65 N +ATOM 1245 N VAL A 169 -20.570 -24.896 -35.117 1.00 12.64 N +ATOM 1246 CA VAL A 169 -19.150 -25.095 -35.522 1.00 12.56 C +ATOM 1247 C VAL A 169 -18.776 -26.557 -35.232 1.00 12.61 C +ATOM 1248 O VAL A 169 -18.185 -26.806 -34.169 1.00 13.34 O +ATOM 1249 CB VAL A 169 -18.217 -24.101 -34.839 1.00 11.22 C +ATOM 1250 CG1 VAL A 169 -16.774 -24.314 -35.244 1.00 11.21 C +ATOM 1251 CG2 VAL A 169 -18.672 -22.667 -35.094 1.00 11.00 C +ATOM 1252 N VAL A 170 -19.075 -27.452 -36.146 1.00 11.47 N +ATOM 1253 CA VAL A 170 -18.783 -28.865 -35.961 1.00 9.95 C +ATOM 1254 C VAL A 170 -17.384 -29.198 -35.545 1.00 9.61 C +ATOM 1255 O VAL A 170 -17.224 -30.128 -34.677 1.00 9.83 O +ATOM 1256 CB VAL A 170 -19.334 -29.546 -37.233 1.00 10.09 C +ATOM 1257 CG1 VAL A 170 -19.262 -31.058 -37.221 1.00 9.80 C +ATOM 1258 CG2 VAL A 170 -20.762 -29.078 -37.510 1.00 9.19 C +ATOM 1259 N PHE A 171 -16.335 -28.609 -36.100 1.00 8.84 N +ATOM 1260 CA PHE A 171 -14.951 -28.957 -35.695 1.00 7.95 C +ATOM 1261 C PHE A 171 -14.022 -27.821 -36.123 1.00 8.61 C +ATOM 1262 O PHE A 171 -14.409 -27.090 -37.036 1.00 9.06 O +ATOM 1263 CB PHE A 171 -14.476 -30.306 -36.146 1.00 5.62 C +ATOM 1264 CG PHE A 171 -14.006 -30.405 -37.568 1.00 5.18 C +ATOM 1265 CD1 PHE A 171 -14.811 -30.987 -38.539 1.00 3.65 C +ATOM 1266 CD2 PHE A 171 -12.746 -29.873 -37.915 1.00 5.02 C +ATOM 1267 CE1 PHE A 171 -14.377 -31.058 -39.846 1.00 3.97 C +ATOM 1268 CE2 PHE A 171 -12.319 -29.915 -39.233 1.00 3.97 C +ATOM 1269 CZ PHE A 171 -13.140 -30.504 -40.181 1.00 3.67 C +ATOM 1270 N PHE A 172 -12.929 -27.707 -35.441 1.00 9.46 N +ATOM 1271 CA PHE A 172 -11.852 -26.699 -35.545 1.00 10.47 C +ATOM 1272 C PHE A 172 -10.576 -27.523 -35.695 1.00 11.02 C +ATOM 1273 O PHE A 172 -10.305 -28.261 -34.735 1.00 11.53 O +ATOM 1274 CB PHE A 172 -11.840 -25.805 -34.296 1.00 9.83 C +ATOM 1275 CG PHE A 172 -10.851 -24.648 -34.284 1.00 10.16 C +ATOM 1276 CD1 PHE A 172 -9.543 -24.861 -33.822 1.00 9.18 C +ATOM 1277 CD2 PHE A 172 -11.206 -23.370 -34.677 1.00 8.81 C +ATOM 1278 CE1 PHE A 172 -8.606 -23.867 -33.799 1.00 9.12 C +ATOM 1279 CE2 PHE A 172 -10.269 -22.333 -34.654 1.00 9.87 C +ATOM 1280 CZ PHE A 172 -8.957 -22.582 -34.226 1.00 9.15 C +ATOM 1281 N ASP A 173 -9.870 -27.423 -36.782 1.00 12.18 N +ATOM 1282 CA ASP A 173 -8.694 -28.304 -37.036 1.00 13.08 C +ATOM 1283 C ASP A 173 -7.493 -27.565 -37.591 1.00 12.51 C +ATOM 1284 O ASP A 173 -7.665 -26.600 -38.331 1.00 12.15 O +ATOM 1285 CB ASP A 173 -9.248 -29.347 -38.019 1.00 16.84 C +ATOM 1286 CG ASP A 173 -8.670 -30.732 -38.112 1.00 19.53 C +ATOM 1287 OD1 ASP A 173 -7.725 -31.150 -37.395 1.00 20.01 O +ATOM 1288 OD2 ASP A 173 -9.256 -31.463 -38.990 1.00 20.71 O +ATOM 1289 N GLY A 174 -6.317 -28.062 -37.291 1.00 12.39 N +ATOM 1290 CA GLY A 174 -5.041 -27.509 -37.707 1.00 13.11 C +ATOM 1291 C GLY A 174 -4.479 -28.211 -38.921 1.00 14.53 C +ATOM 1292 O GLY A 174 -4.821 -29.404 -39.164 1.00 15.71 O +ATOM 1293 N ILE A 175 -3.665 -27.502 -39.719 1.00 14.32 N +ATOM 1294 CA ILE A 175 -3.071 -28.077 -40.910 1.00 14.62 C +ATOM 1295 C ILE A 175 -1.607 -27.672 -40.945 1.00 14.88 C +ATOM 1296 O ILE A 175 -1.356 -26.522 -40.656 1.00 15.43 O +ATOM 1297 CB ILE A 175 -3.745 -27.658 -42.286 1.00 14.48 C +ATOM 1298 CG1 ILE A 175 -4.155 -29.056 -42.887 1.00 13.74 C +ATOM 1299 CG2 ILE A 175 -2.919 -26.777 -43.234 1.00 10.42 C +ATOM 1300 CD1 ILE A 175 -5.160 -29.688 -41.812 1.00 14.26 C +ATOM 1301 N THR A 176 -0.810 -28.623 -41.372 1.00 15.89 N +ATOM 1302 CA THR A 176 0.626 -28.375 -41.407 1.00 16.60 C +ATOM 1303 C THR A 176 0.941 -27.672 -42.725 1.00 17.26 C +ATOM 1304 O THR A 176 0.901 -28.268 -43.801 1.00 17.69 O +ATOM 1305 CB THR A 176 1.555 -29.560 -41.037 1.00 16.85 C +ATOM 1306 OG1 THR A 176 0.786 -30.724 -40.609 1.00 18.39 O +ATOM 1307 CG2 THR A 176 2.421 -29.177 -39.800 1.00 17.94 C +ATOM 1308 N ALA A 177 1.208 -26.394 -42.529 1.00 17.50 N +ATOM 1309 CA ALA A 177 1.611 -25.549 -43.673 1.00 18.33 C +ATOM 1310 C ALA A 177 2.752 -26.323 -44.356 1.00 19.08 C +ATOM 1311 O ALA A 177 3.705 -26.820 -43.697 1.00 19.67 O +ATOM 1312 CB ALA A 177 1.958 -24.165 -43.257 1.00 18.09 C +ATOM 1313 N GLY A 178 2.584 -26.458 -45.651 1.00 19.27 N +ATOM 1314 CA GLY A 178 3.490 -27.189 -46.530 1.00 20.04 C +ATOM 1315 C GLY A 178 2.804 -28.502 -46.911 1.00 20.69 C +ATOM 1316 O GLY A 178 3.362 -29.255 -47.744 1.00 21.05 O +ATOM 1317 N GLU A 179 1.663 -28.808 -46.287 1.00 21.09 N +ATOM 1318 CA GLU A 179 0.977 -30.064 -46.703 1.00 21.59 C +ATOM 1319 C GLU A 179 0.407 -29.731 -48.114 1.00 21.21 C +ATOM 1320 O GLU A 179 0.008 -28.588 -48.403 1.00 21.96 O +ATOM 1321 CB GLU A 179 -0.179 -30.618 -45.963 1.00 21.68 C +ATOM 1322 CG GLU A 179 -0.215 -31.378 -44.679 1.00 23.59 C +ATOM 1323 CD GLU A 179 -1.272 -32.435 -44.541 1.00 24.54 C +ATOM 1324 OE1 GLU A 179 -2.098 -32.570 -43.662 1.00 25.25 O +ATOM 1325 OE2 GLU A 179 -1.168 -33.223 -45.500 1.00 25.68 O +ATOM 1326 N LYS A 180 0.435 -30.767 -48.923 1.00 20.62 N +ATOM 1327 CA LYS A 180 -0.076 -30.767 -50.287 1.00 19.10 C +ATOM 1328 C LYS A 180 -1.089 -31.945 -50.322 1.00 17.44 C +ATOM 1329 O LYS A 180 -1.970 -31.967 -51.189 1.00 18.07 O +ATOM 1330 CB LYS A 180 0.913 -30.909 -51.386 1.00 20.29 C +ATOM 1331 CG LYS A 180 2.253 -30.377 -51.571 1.00 21.31 C +ATOM 1332 CD LYS A 180 2.580 -28.936 -51.698 1.00 22.81 C +ATOM 1333 CE LYS A 180 2.297 -28.162 -52.970 1.00 23.08 C +ATOM 1334 NZ LYS A 180 1.308 -27.061 -52.669 1.00 23.72 N +ATOM 1335 N ASP A 181 -0.961 -32.875 -49.397 1.00 15.32 N +ATOM 1336 CA ASP A 181 -1.902 -33.969 -49.351 1.00 14.22 C +ATOM 1337 C ASP A 181 -3.007 -33.692 -48.310 1.00 13.34 C +ATOM 1338 O ASP A 181 -2.576 -33.969 -47.177 1.00 13.34 O +ATOM 1339 CB ASP A 181 -1.360 -35.353 -48.900 1.00 13.75 C +ATOM 1340 CG ASP A 181 -2.401 -36.361 -49.432 1.00 13.99 C +ATOM 1341 OD1 ASP A 181 -2.181 -37.582 -49.455 1.00 15.89 O +ATOM 1342 OD2 ASP A 181 -3.462 -35.878 -49.883 1.00 12.62 O +ATOM 1343 N PHE A 182 -4.207 -33.344 -48.703 1.00 11.88 N +ATOM 1344 CA PHE A 182 -5.276 -33.096 -47.721 1.00 10.36 C +ATOM 1345 C PHE A 182 -6.381 -34.132 -47.778 1.00 10.07 C +ATOM 1346 O PHE A 182 -7.505 -33.784 -47.339 1.00 10.87 O +ATOM 1347 CB PHE A 182 -5.882 -31.690 -47.859 1.00 9.52 C +ATOM 1348 CG PHE A 182 -4.857 -30.611 -47.744 1.00 8.72 C +ATOM 1349 CD1 PHE A 182 -4.427 -30.192 -46.495 1.00 9.33 C +ATOM 1350 CD2 PHE A 182 -4.319 -30.015 -48.865 1.00 9.50 C +ATOM 1351 CE1 PHE A 182 -3.462 -29.191 -46.356 1.00 9.25 C +ATOM 1352 CE2 PHE A 182 -3.334 -29.007 -48.761 1.00 9.54 C +ATOM 1353 CZ PHE A 182 -2.903 -28.595 -47.501 1.00 8.39 C +ATOM 1354 N SER A 183 -6.130 -35.325 -48.229 1.00 10.10 N +ATOM 1355 CA SER A 183 -7.087 -36.418 -48.345 1.00 10.03 C +ATOM 1356 C SER A 183 -7.844 -36.581 -47.015 1.00 10.11 C +ATOM 1357 O SER A 183 -9.029 -36.929 -46.980 1.00 10.49 O +ATOM 1358 CB SER A 183 -6.417 -37.774 -48.484 1.00 10.35 C +ATOM 1359 OG SER A 183 -5.599 -37.859 -49.617 1.00 12.46 O +ATOM 1360 N THR A 184 -7.059 -36.418 -45.974 1.00 9.66 N +ATOM 1361 CA THR A 184 -7.549 -36.617 -44.575 1.00 8.98 C +ATOM 1362 C THR A 184 -8.594 -35.630 -44.113 1.00 8.11 C +ATOM 1363 O THR A 184 -9.599 -35.885 -43.442 1.00 7.28 O +ATOM 1364 CB THR A 184 -6.201 -36.673 -43.743 1.00 9.19 C +ATOM 1365 OG1 THR A 184 -6.022 -38.107 -43.488 1.00 10.25 O +ATOM 1366 CG2 THR A 184 -6.185 -35.765 -42.517 1.00 9.95 C +ATOM 1367 N LEU A 185 -8.379 -34.380 -44.471 1.00 7.64 N +ATOM 1368 CA LEU A 185 -9.228 -33.252 -44.205 1.00 7.49 C +ATOM 1369 C LEU A 185 -10.512 -33.429 -45.038 1.00 8.46 C +ATOM 1370 O LEU A 185 -11.645 -33.387 -44.529 1.00 8.51 O +ATOM 1371 CB LEU A 185 -8.435 -31.988 -44.575 1.00 5.78 C +ATOM 1372 CG LEU A 185 -9.252 -30.717 -44.703 1.00 5.32 C +ATOM 1373 CD1 LEU A 185 -10.110 -30.526 -43.442 1.00 5.63 C +ATOM 1374 CD2 LEU A 185 -8.339 -29.546 -44.934 1.00 4.40 C +ATOM 1375 N VAL A 186 -10.265 -33.649 -46.345 1.00 9.41 N +ATOM 1376 CA VAL A 186 -11.418 -33.791 -47.246 1.00 9.93 C +ATOM 1377 C VAL A 186 -12.235 -35.005 -46.865 1.00 10.52 C +ATOM 1378 O VAL A 186 -13.479 -34.849 -47.004 1.00 12.08 O +ATOM 1379 CB VAL A 186 -11.075 -33.585 -48.715 1.00 10.33 C +ATOM 1380 CG1 VAL A 186 -9.814 -32.812 -49.050 1.00 9.12 C +ATOM 1381 CG2 VAL A 186 -11.123 -34.892 -49.513 1.00 12.12 C +ATOM 1382 N ALA A 187 -11.761 -36.141 -46.425 1.00 9.84 N +ATOM 1383 CA ALA A 187 -12.690 -37.220 -46.067 1.00 10.34 C +ATOM 1384 C ALA A 187 -13.523 -36.844 -44.841 1.00 10.80 C +ATOM 1385 O ALA A 187 -14.656 -37.312 -44.679 1.00 11.47 O +ATOM 1386 CB ALA A 187 -12.028 -38.562 -45.859 1.00 9.98 C +ATOM 1387 N ARG A 188 -12.989 -36.020 -43.986 1.00 10.94 N +ATOM 1388 CA ARG A 188 -13.647 -35.566 -42.748 1.00 10.78 C +ATOM 1389 C ARG A 188 -14.724 -34.537 -43.026 1.00 10.65 C +ATOM 1390 O ARG A 188 -15.757 -34.416 -42.321 1.00 10.41 O +ATOM 1391 CB ARG A 188 -12.602 -35.012 -41.800 1.00 11.76 C +ATOM 1392 CG ARG A 188 -13.212 -34.764 -40.413 1.00 13.92 C +ATOM 1393 CD ARG A 188 -12.391 -33.706 -39.707 1.00 14.10 C +ATOM 1394 NE ARG A 188 -12.710 -33.770 -38.297 1.00 13.40 N +ATOM 1395 CZ ARG A 188 -11.924 -33.358 -37.302 1.00 13.55 C +ATOM 1396 NH1 ARG A 188 -10.704 -32.883 -37.464 1.00 12.21 N +ATOM 1397 NH2 ARG A 188 -12.514 -33.408 -36.088 1.00 14.21 N +ATOM 1398 N LEU A 189 -14.449 -33.742 -44.067 1.00 10.49 N +ATOM 1399 CA LEU A 189 -15.457 -32.726 -44.471 1.00 10.49 C +ATOM 1400 C LEU A 189 -16.650 -33.536 -45.015 1.00 10.28 C +ATOM 1401 O LEU A 189 -17.782 -33.145 -44.830 1.00 10.03 O +ATOM 1402 CB LEU A 189 -14.963 -31.768 -45.558 1.00 10.19 C +ATOM 1403 CG LEU A 189 -13.791 -30.866 -45.281 1.00 9.68 C +ATOM 1404 CD1 LEU A 189 -13.448 -29.936 -46.437 1.00 8.95 C +ATOM 1405 CD2 LEU A 189 -14.137 -30.078 -44.032 1.00 9.54 C +ATOM 1406 N LYS A 190 -16.299 -34.586 -45.732 1.00 11.65 N +ATOM 1407 CA LYS A 190 -17.276 -35.474 -46.368 1.00 12.95 C +ATOM 1408 C LYS A 190 -18.297 -36.042 -45.373 1.00 13.26 C +ATOM 1409 O LYS A 190 -19.509 -35.822 -45.443 1.00 12.91 O +ATOM 1410 CB LYS A 190 -16.658 -36.617 -47.189 1.00 12.78 C +ATOM 1411 CG LYS A 190 -17.727 -37.234 -48.102 1.00 13.27 C +ATOM 1412 CD LYS A 190 -17.188 -38.171 -49.154 1.00 14.48 C +ATOM 1413 CE LYS A 190 -15.852 -37.703 -49.686 1.00 16.34 C +ATOM 1414 NZ LYS A 190 -15.569 -38.398 -50.981 1.00 18.12 N +ATOM 1415 N LYS A 191 -17.759 -36.716 -44.425 1.00 14.36 N +ATOM 1416 CA LYS A 191 -18.309 -37.447 -43.327 1.00 16.11 C +ATOM 1417 C LYS A 191 -19.150 -36.652 -42.332 1.00 16.40 C +ATOM 1418 O LYS A 191 -20.347 -37.007 -42.124 1.00 16.74 O +ATOM 1419 CB LYS A 191 -17.156 -38.193 -42.598 1.00 17.93 C +ATOM 1420 CG LYS A 191 -17.723 -39.279 -41.650 1.00 20.05 C +ATOM 1421 CD LYS A 191 -16.925 -39.300 -40.355 1.00 21.54 C +ATOM 1422 CE LYS A 191 -17.591 -40.173 -39.303 1.00 22.95 C +ATOM 1423 NZ LYS A 191 -16.538 -40.606 -38.308 1.00 24.55 N +ATOM 1424 N GLU A 192 -18.588 -35.644 -41.719 1.00 16.04 N +ATOM 1425 CA GLU A 192 -19.334 -34.806 -40.794 1.00 16.39 C +ATOM 1426 C GLU A 192 -20.207 -33.855 -41.604 1.00 15.89 C +ATOM 1427 O GLU A 192 -20.829 -32.918 -41.083 1.00 15.98 O +ATOM 1428 CB GLU A 192 -18.425 -33.969 -39.904 1.00 19.36 C +ATOM 1429 CG GLU A 192 -17.743 -34.615 -38.690 1.00 21.11 C +ATOM 1430 CD GLU A 192 -18.584 -35.530 -37.869 1.00 22.13 C +ATOM 1431 OE1 GLU A 192 -18.245 -36.659 -37.557 1.00 24.13 O +ATOM 1432 OE2 GLU A 192 -19.693 -35.062 -37.510 1.00 23.04 O +ATOM 1433 N ASN A 193 -20.275 -34.111 -42.887 1.00 15.07 N +ATOM 1434 CA ASN A 193 -21.081 -33.337 -43.847 1.00 14.98 C +ATOM 1435 C ASN A 193 -21.021 -31.818 -43.639 1.00 13.65 C +ATOM 1436 O ASN A 193 -22.030 -31.193 -43.234 1.00 13.62 O +ATOM 1437 CB ASN A 193 -22.568 -33.784 -43.801 1.00 17.69 C +ATOM 1438 CG ASN A 193 -23.378 -32.790 -44.633 1.00 20.23 C +ATOM 1439 OD1 ASN A 193 -23.621 -31.633 -44.205 1.00 21.27 O +ATOM 1440 ND2 ASN A 193 -23.733 -33.216 -45.859 1.00 21.56 N +ATOM 1441 N ILE A 194 -19.876 -31.221 -43.939 1.00 11.56 N +ATOM 1442 CA ILE A 194 -19.725 -29.759 -43.766 1.00 9.22 C +ATOM 1443 C ILE A 194 -20.235 -29.113 -45.015 1.00 8.52 C +ATOM 1444 O ILE A 194 -19.888 -29.638 -46.102 1.00 10.30 O +ATOM 1445 CB ILE A 194 -18.205 -29.518 -43.465 1.00 7.60 C +ATOM 1446 CG1 ILE A 194 -17.854 -30.291 -42.170 1.00 5.87 C +ATOM 1447 CG2 ILE A 194 -17.790 -28.034 -43.315 1.00 8.26 C +ATOM 1448 CD1 ILE A 194 -18.764 -29.922 -40.979 1.00 5.97 C +ATOM 1449 N ASP A 195 -20.949 -28.048 -44.969 1.00 7.61 N +ATOM 1450 CA ASP A 195 -21.439 -27.281 -46.148 1.00 6.68 C +ATOM 1451 C ASP A 195 -20.722 -25.933 -46.321 1.00 5.61 C +ATOM 1452 O ASP A 195 -20.841 -25.258 -47.339 1.00 5.31 O +ATOM 1453 CB ASP A 195 -22.935 -27.111 -46.067 1.00 7.64 C +ATOM 1454 CG ASP A 195 -23.629 -26.472 -44.934 1.00 8.21 C +ATOM 1455 OD1 ASP A 195 -24.813 -26.146 -45.200 1.00 10.97 O +ATOM 1456 OD2 ASP A 195 -23.166 -26.252 -43.789 1.00 8.54 O +ATOM 1457 N PHE A 196 -19.996 -25.521 -45.304 1.00 4.92 N +ATOM 1458 CA PHE A 196 -19.262 -24.264 -45.281 1.00 4.19 C +ATOM 1459 C PHE A 196 -17.914 -24.428 -44.575 1.00 3.82 C +ATOM 1460 O PHE A 196 -17.950 -24.917 -43.431 1.00 4.16 O +ATOM 1461 CB PHE A 196 -20.080 -23.185 -44.552 1.00 4.07 C +ATOM 1462 CG PHE A 196 -19.434 -21.822 -44.645 1.00 3.45 C +ATOM 1463 CD1 PHE A 196 -18.480 -21.467 -43.662 1.00 3.70 C +ATOM 1464 CD2 PHE A 196 -19.717 -20.970 -45.685 1.00 2.00 C +ATOM 1465 CE1 PHE A 196 -17.814 -20.246 -43.778 1.00 2.77 C +ATOM 1466 CE2 PHE A 196 -19.063 -19.764 -45.789 1.00 2.00 C +ATOM 1467 CZ PHE A 196 -18.141 -19.416 -44.807 1.00 2.00 C +ATOM 1468 N VAL A 197 -16.797 -24.051 -45.188 1.00 3.17 N +ATOM 1469 CA VAL A 197 -15.529 -24.115 -44.494 1.00 3.55 C +ATOM 1470 C VAL A 197 -14.907 -22.688 -44.460 1.00 3.79 C +ATOM 1471 O VAL A 197 -14.939 -21.986 -45.466 1.00 3.99 O +ATOM 1472 CB VAL A 197 -14.472 -25.123 -44.922 1.00 3.12 C +ATOM 1473 CG1 VAL A 197 -13.117 -24.712 -44.275 1.00 4.01 C +ATOM 1474 CG2 VAL A 197 -14.680 -26.579 -44.587 1.00 2.10 C +ATOM 1475 N TYR A 198 -14.389 -22.312 -43.280 1.00 3.60 N +ATOM 1476 CA TYR A 198 -13.647 -21.063 -43.153 1.00 2.30 C +ATOM 1477 C TYR A 198 -12.163 -21.553 -43.014 1.00 2.29 C +ATOM 1478 O TYR A 198 -11.956 -22.348 -42.112 1.00 2.00 O +ATOM 1479 CB TYR A 198 -13.894 -20.154 -41.985 1.00 2.34 C +ATOM 1480 CG TYR A 198 -12.965 -18.919 -41.927 1.00 2.00 C +ATOM 1481 CD1 TYR A 198 -11.741 -18.905 -41.257 1.00 2.00 C +ATOM 1482 CD2 TYR A 198 -13.360 -17.783 -42.598 1.00 2.00 C +ATOM 1483 CE1 TYR A 198 -10.931 -17.769 -41.257 1.00 2.00 C +ATOM 1484 CE2 TYR A 198 -12.594 -16.647 -42.621 1.00 2.00 C +ATOM 1485 CZ TYR A 198 -11.366 -16.633 -41.962 1.00 2.00 C +ATOM 1486 OH TYR A 198 -10.688 -15.447 -42.032 1.00 2.00 O +ATOM 1487 N TYR A 199 -11.314 -21.070 -43.882 1.00 2.63 N +ATOM 1488 CA TYR A 199 -9.898 -21.375 -43.928 1.00 2.95 C +ATOM 1489 C TYR A 199 -9.021 -20.154 -43.708 1.00 2.91 C +ATOM 1490 O TYR A 199 -8.961 -19.231 -44.518 1.00 2.81 O +ATOM 1491 CB TYR A 199 -9.460 -22.113 -45.234 1.00 4.87 C +ATOM 1492 CG TYR A 199 -7.952 -22.355 -45.188 1.00 5.20 C +ATOM 1493 CD1 TYR A 199 -7.059 -21.474 -45.801 1.00 4.88 C +ATOM 1494 CD2 TYR A 199 -7.450 -23.427 -44.448 1.00 5.82 C +ATOM 1495 CE1 TYR A 199 -5.683 -21.695 -45.685 1.00 4.87 C +ATOM 1496 CE2 TYR A 199 -6.066 -23.647 -44.309 1.00 4.15 C +ATOM 1497 CZ TYR A 199 -5.200 -22.774 -44.934 1.00 5.06 C +ATOM 1498 OH TYR A 199 -3.856 -22.979 -44.772 1.00 5.75 O +ATOM 1499 N GLY A 200 -8.339 -20.211 -42.563 1.00 2.77 N +ATOM 1500 CA GLY A 200 -7.426 -19.181 -42.078 1.00 2.36 C +ATOM 1501 C GLY A 200 -6.002 -19.643 -42.425 1.00 3.17 C +ATOM 1502 O GLY A 200 -5.380 -20.516 -41.800 1.00 2.98 O +ATOM 1503 N GLY A 201 -5.511 -18.976 -43.477 1.00 3.16 N +ATOM 1504 CA GLY A 201 -4.223 -19.189 -44.020 1.00 4.60 C +ATOM 1505 C GLY A 201 -3.876 -18.422 -45.304 1.00 5.55 C +ATOM 1506 O GLY A 201 -4.315 -17.265 -45.535 1.00 5.30 O +ATOM 1507 N TYR A 202 -3.111 -19.181 -46.067 1.00 4.67 N +ATOM 1508 CA TYR A 202 -2.572 -18.656 -47.327 1.00 6.24 C +ATOM 1509 C TYR A 202 -3.035 -19.465 -48.518 1.00 6.00 C +ATOM 1510 O TYR A 202 -3.661 -20.523 -48.333 1.00 6.09 O +ATOM 1511 CB TYR A 202 -1.065 -18.550 -47.142 1.00 7.72 C +ATOM 1512 CG TYR A 202 -0.646 -17.535 -46.102 1.00 9.72 C +ATOM 1513 CD1 TYR A 202 -0.730 -16.164 -46.391 1.00 12.01 C +ATOM 1514 CD2 TYR A 202 -0.108 -17.868 -44.876 1.00 10.33 C +ATOM 1515 CE1 TYR A 202 -0.339 -15.171 -45.477 1.00 11.57 C +ATOM 1516 CE2 TYR A 202 0.323 -16.896 -43.974 1.00 10.79 C +ATOM 1517 CZ TYR A 202 0.203 -15.554 -44.263 1.00 11.61 C +ATOM 1518 OH TYR A 202 0.634 -14.624 -43.338 1.00 13.15 O +ATOM 1519 N HIS A 203 -2.780 -18.940 -49.721 1.00 5.49 N +ATOM 1520 CA HIS A 203 -3.206 -19.536 -50.958 1.00 5.88 C +ATOM 1521 C HIS A 203 -2.652 -20.871 -51.374 1.00 6.52 C +ATOM 1522 O HIS A 203 -3.322 -21.631 -52.184 1.00 6.99 O +ATOM 1523 CB HIS A 203 -3.091 -18.507 -52.172 1.00 5.27 C +ATOM 1524 CG HIS A 203 -1.687 -17.968 -52.242 1.00 5.51 C +ATOM 1525 ND1 HIS A 203 -1.240 -16.789 -51.698 1.00 5.51 N +ATOM 1526 CD2 HIS A 203 -0.590 -18.528 -52.785 1.00 5.46 C +ATOM 1527 CE1 HIS A 203 0.056 -16.676 -51.895 1.00 5.69 C +ATOM 1528 NE2 HIS A 203 0.487 -17.740 -52.531 1.00 5.08 N +ATOM 1529 N PRO A 204 -1.444 -21.240 -50.958 1.00 5.96 N +ATOM 1530 CA PRO A 204 -0.853 -22.539 -51.432 1.00 5.87 C +ATOM 1531 C PRO A 204 -1.795 -23.661 -51.039 1.00 5.55 C +ATOM 1532 O PRO A 204 -2.361 -24.371 -51.860 1.00 5.26 O +ATOM 1533 CB PRO A 204 0.510 -22.575 -50.785 1.00 5.81 C +ATOM 1534 CG PRO A 204 0.845 -21.105 -50.611 1.00 5.45 C +ATOM 1535 CD PRO A 204 -0.522 -20.523 -50.114 1.00 5.67 C +ATOM 1536 N GLU A 205 -1.954 -23.732 -49.744 1.00 5.51 N +ATOM 1537 CA GLU A 205 -2.835 -24.634 -49.027 1.00 5.63 C +ATOM 1538 C GLU A 205 -4.259 -24.392 -49.490 1.00 5.17 C +ATOM 1539 O GLU A 205 -4.909 -25.400 -49.802 1.00 5.95 O +ATOM 1540 CB GLU A 205 -2.808 -24.399 -47.524 1.00 7.15 C +ATOM 1541 CG GLU A 205 -1.519 -24.754 -46.772 1.00 10.08 C +ATOM 1542 CD GLU A 205 -0.411 -23.732 -46.842 1.00 11.30 C +ATOM 1543 OE1 GLU A 205 0.730 -23.945 -47.223 1.00 11.27 O +ATOM 1544 OE2 GLU A 205 -0.770 -22.596 -46.402 1.00 12.34 O +ATOM 1545 N MET A 206 -4.710 -23.150 -49.594 1.00 4.59 N +ATOM 1546 CA MET A 206 -6.142 -22.951 -50.045 1.00 4.50 C +ATOM 1547 C MET A 206 -6.397 -23.583 -51.398 1.00 4.61 C +ATOM 1548 O MET A 206 -7.434 -24.215 -51.629 1.00 5.56 O +ATOM 1549 CB MET A 206 -6.548 -21.517 -50.068 1.00 3.97 C +ATOM 1550 CG MET A 206 -7.936 -21.283 -50.507 1.00 5.05 C +ATOM 1551 SD MET A 206 -9.097 -21.702 -49.166 1.00 7.13 S +ATOM 1552 CE MET A 206 -10.074 -20.239 -49.004 1.00 5.53 C +ATOM 1553 N GLY A 207 -5.460 -23.398 -52.299 1.00 3.76 N +ATOM 1554 CA GLY A 207 -5.563 -23.931 -53.652 1.00 4.35 C +ATOM 1555 C GLY A 207 -5.483 -25.464 -53.606 1.00 4.47 C +ATOM 1556 O GLY A 207 -6.010 -26.089 -54.508 1.00 4.16 O +ATOM 1557 N GLN A 208 -4.837 -25.961 -52.577 1.00 4.83 N +ATOM 1558 CA GLN A 208 -4.690 -27.409 -52.404 1.00 5.91 C +ATOM 1559 C GLN A 208 -6.030 -28.034 -52.010 1.00 5.45 C +ATOM 1560 O GLN A 208 -6.564 -28.936 -52.693 1.00 5.71 O +ATOM 1561 CB GLN A 208 -3.545 -27.821 -51.455 1.00 6.85 C +ATOM 1562 CG GLN A 208 -2.213 -27.949 -52.195 1.00 8.24 C +ATOM 1563 CD GLN A 208 -2.281 -28.822 -53.433 1.00 8.84 C +ATOM 1564 OE1 GLN A 208 -1.667 -28.524 -54.450 1.00 9.19 O +ATOM 1565 NE2 GLN A 208 -3.059 -29.922 -53.409 1.00 9.63 N +ATOM 1566 N ILE A 209 -6.568 -27.544 -50.947 1.00 5.36 N +ATOM 1567 CA ILE A 209 -7.828 -27.956 -50.357 1.00 6.02 C +ATOM 1568 C ILE A 209 -9.021 -27.885 -51.293 1.00 6.42 C +ATOM 1569 O ILE A 209 -10.006 -28.630 -51.189 1.00 6.74 O +ATOM 1570 CB ILE A 209 -8.124 -26.948 -49.166 1.00 6.14 C +ATOM 1571 CG1 ILE A 209 -7.039 -27.054 -48.079 1.00 6.02 C +ATOM 1572 CG2 ILE A 209 -9.551 -27.097 -48.588 1.00 6.39 C +ATOM 1573 CD1 ILE A 209 -7.450 -26.224 -46.819 1.00 7.21 C +ATOM 1574 N LEU A 210 -9.001 -26.841 -52.114 1.00 6.62 N +ATOM 1575 CA LEU A 210 -10.110 -26.572 -53.039 1.00 6.54 C +ATOM 1576 C LEU A 210 -10.074 -27.651 -54.126 1.00 7.02 C +ATOM 1577 O LEU A 210 -11.115 -28.290 -54.381 1.00 6.92 O +ATOM 1578 CB LEU A 210 -10.022 -25.152 -53.560 1.00 5.23 C +ATOM 1579 CG LEU A 210 -10.437 -24.016 -52.658 1.00 5.22 C +ATOM 1580 CD1 LEU A 210 -10.122 -22.646 -53.248 1.00 4.75 C +ATOM 1581 CD2 LEU A 210 -11.948 -24.137 -52.461 1.00 5.37 C +ATOM 1582 N ARG A 211 -8.905 -27.764 -54.739 1.00 6.70 N +ATOM 1583 CA ARG A 211 -8.750 -28.737 -55.838 1.00 6.80 C +ATOM 1584 C ARG A 211 -9.276 -30.093 -55.398 1.00 6.57 C +ATOM 1585 O ARG A 211 -10.118 -30.803 -55.942 1.00 7.00 O +ATOM 1586 CB ARG A 211 -7.258 -28.865 -56.196 1.00 8.65 C +ATOM 1587 CG ARG A 211 -6.764 -27.686 -57.017 1.00 12.06 C +ATOM 1588 CD ARG A 211 -5.894 -28.119 -58.173 1.00 14.79 C +ATOM 1589 NE ARG A 211 -4.586 -28.502 -57.618 1.00 18.26 N +ATOM 1590 CZ ARG A 211 -3.529 -28.588 -58.451 1.00 20.75 C +ATOM 1591 NH1 ARG A 211 -3.721 -28.424 -59.781 1.00 21.42 N +ATOM 1592 NH2 ARG A 211 -2.309 -28.701 -57.919 1.00 20.47 N +ATOM 1593 N GLN A 212 -8.662 -30.476 -54.311 1.00 5.75 N +ATOM 1594 CA GLN A 212 -8.901 -31.711 -53.641 1.00 5.82 C +ATOM 1595 C GLN A 212 -10.321 -31.867 -53.144 1.00 5.30 C +ATOM 1596 O GLN A 212 -10.831 -33.003 -53.155 1.00 5.97 O +ATOM 1597 CB GLN A 212 -7.884 -31.775 -52.450 1.00 6.28 C +ATOM 1598 CG GLN A 212 -7.099 -33.081 -52.612 1.00 6.22 C +ATOM 1599 CD GLN A 212 -5.667 -32.826 -52.253 1.00 7.60 C +ATOM 1600 OE1 GLN A 212 -5.180 -33.443 -51.293 1.00 7.79 O +ATOM 1601 NE2 GLN A 212 -5.033 -31.896 -52.993 1.00 7.43 N +ATOM 1602 N ALA A 213 -10.959 -30.852 -52.646 1.00 4.87 N +ATOM 1603 CA ALA A 213 -12.311 -30.874 -52.114 1.00 4.57 C +ATOM 1604 C ALA A 213 -13.360 -30.973 -53.213 1.00 5.12 C +ATOM 1605 O ALA A 213 -14.464 -31.498 -53.005 1.00 5.19 O +ATOM 1606 CB ALA A 213 -12.502 -29.596 -51.317 1.00 5.34 C +ATOM 1607 N ARG A 214 -13.037 -30.490 -54.392 1.00 5.05 N +ATOM 1608 CA ARG A 214 -13.970 -30.526 -55.537 1.00 5.32 C +ATOM 1609 C ARG A 214 -13.791 -31.875 -56.208 1.00 6.19 C +ATOM 1610 O ARG A 214 -14.736 -32.577 -56.589 1.00 6.43 O +ATOM 1611 CB ARG A 214 -13.794 -29.354 -56.462 1.00 4.77 C +ATOM 1612 CG ARG A 214 -13.978 -27.956 -55.907 1.00 3.39 C +ATOM 1613 CD ARG A 214 -15.453 -27.679 -55.791 1.00 2.44 C +ATOM 1614 NE ARG A 214 -15.677 -26.437 -55.086 1.00 3.30 N +ATOM 1615 CZ ARG A 214 -16.435 -26.387 -53.965 1.00 3.23 C +ATOM 1616 NH1 ARG A 214 -17.017 -27.438 -53.398 1.00 2.44 N +ATOM 1617 NH2 ARG A 214 -16.642 -25.180 -53.444 1.00 2.34 N +ATOM 1618 N ALA A 215 -12.530 -32.286 -56.289 1.00 6.87 N +ATOM 1619 CA ALA A 215 -12.267 -33.628 -56.902 1.00 6.79 C +ATOM 1620 C ALA A 215 -13.017 -34.686 -56.115 1.00 7.14 C +ATOM 1621 O ALA A 215 -13.420 -35.708 -56.705 1.00 8.14 O +ATOM 1622 CB ALA A 215 -10.792 -33.933 -57.017 1.00 6.81 C +ATOM 1623 N ALA A 216 -13.252 -34.508 -54.832 1.00 6.68 N +ATOM 1624 CA ALA A 216 -13.966 -35.509 -54.045 1.00 5.99 C +ATOM 1625 C ALA A 216 -15.469 -35.396 -54.103 1.00 6.43 C +ATOM 1626 O ALA A 216 -16.155 -36.134 -53.398 1.00 5.66 O +ATOM 1627 CB ALA A 216 -13.531 -35.403 -52.589 1.00 5.29 C +ATOM 1628 N GLY A 217 -15.960 -34.487 -54.913 1.00 7.95 N +ATOM 1629 CA GLY A 217 -17.360 -34.160 -55.156 1.00 8.33 C +ATOM 1630 C GLY A 217 -17.998 -33.365 -54.034 1.00 8.22 C +ATOM 1631 O GLY A 217 -19.230 -33.202 -53.826 1.00 8.96 O +ATOM 1632 N LEU A 218 -17.172 -32.755 -53.248 1.00 8.58 N +ATOM 1633 CA LEU A 218 -17.615 -31.945 -52.080 1.00 8.06 C +ATOM 1634 C LEU A 218 -18.141 -30.661 -52.669 1.00 8.26 C +ATOM 1635 O LEU A 218 -17.511 -30.100 -53.571 1.00 7.93 O +ATOM 1636 CB LEU A 218 -16.379 -31.981 -51.201 1.00 8.52 C +ATOM 1637 CG LEU A 218 -16.534 -32.599 -49.802 1.00 8.56 C +ATOM 1638 CD1 LEU A 218 -17.467 -33.777 -49.802 1.00 8.77 C +ATOM 1639 CD2 LEU A 218 -15.170 -32.939 -49.270 1.00 8.57 C +ATOM 1640 N LYS A 219 -19.330 -30.256 -52.219 1.00 8.14 N +ATOM 1641 CA LYS A 219 -19.980 -29.035 -52.646 1.00 8.01 C +ATOM 1642 C LYS A 219 -19.816 -27.899 -51.640 1.00 7.11 C +ATOM 1643 O LYS A 219 -20.351 -26.799 -51.895 1.00 6.87 O +ATOM 1644 CB LYS A 219 -21.455 -29.198 -53.051 1.00 11.27 C +ATOM 1645 CG LYS A 219 -21.531 -29.404 -54.589 1.00 14.64 C +ATOM 1646 CD LYS A 219 -22.991 -29.582 -55.028 1.00 17.93 C +ATOM 1647 CE LYS A 219 -23.106 -30.313 -56.404 1.00 19.20 C +ATOM 1648 NZ LYS A 219 -24.363 -31.143 -56.347 1.00 20.07 N +ATOM 1649 N THR A 220 -19.079 -28.119 -50.565 1.00 4.59 N +ATOM 1650 CA THR A 220 -18.768 -27.161 -49.536 1.00 3.51 C +ATOM 1651 C THR A 220 -18.401 -25.769 -50.010 1.00 3.45 C +ATOM 1652 O THR A 220 -17.551 -25.613 -50.912 1.00 4.00 O +ATOM 1653 CB THR A 220 -17.495 -27.729 -48.761 1.00 2.30 C +ATOM 1654 OG1 THR A 220 -17.938 -29.063 -48.380 1.00 2.00 O +ATOM 1655 CG2 THR A 220 -16.997 -26.841 -47.651 1.00 2.00 C +ATOM 1656 N GLN A 221 -18.983 -24.754 -49.409 1.00 3.07 N +ATOM 1657 CA GLN A 221 -18.716 -23.349 -49.686 1.00 2.63 C +ATOM 1658 C GLN A 221 -17.523 -22.979 -48.796 1.00 2.72 C +ATOM 1659 O GLN A 221 -17.659 -23.221 -47.582 1.00 3.82 O +ATOM 1660 CB GLN A 221 -19.864 -22.440 -49.293 1.00 2.83 C +ATOM 1661 CG GLN A 221 -19.609 -20.985 -49.293 1.00 5.33 C +ATOM 1662 CD GLN A 221 -19.314 -20.246 -50.553 1.00 7.29 C +ATOM 1663 OE1 GLN A 221 -18.229 -19.622 -50.727 1.00 8.86 O +ATOM 1664 NE2 GLN A 221 -20.279 -20.275 -51.490 1.00 6.64 N +ATOM 1665 N PHE A 222 -16.498 -22.440 -49.316 1.00 2.66 N +ATOM 1666 CA PHE A 222 -15.294 -22.007 -48.611 1.00 2.89 C +ATOM 1667 C PHE A 222 -15.214 -20.466 -48.507 1.00 3.51 C +ATOM 1668 O PHE A 222 -15.785 -19.721 -49.351 1.00 3.75 O +ATOM 1669 CB PHE A 222 -14.038 -22.561 -49.247 1.00 2.68 C +ATOM 1670 CG PHE A 222 -13.775 -24.023 -49.212 1.00 2.24 C +ATOM 1671 CD1 PHE A 222 -12.865 -24.513 -48.252 1.00 3.15 C +ATOM 1672 CD2 PHE A 222 -14.377 -24.910 -50.079 1.00 2.40 C +ATOM 1673 CE1 PHE A 222 -12.614 -25.904 -48.195 1.00 2.29 C +ATOM 1674 CE2 PHE A 222 -14.149 -26.309 -50.022 1.00 2.00 C +ATOM 1675 CZ PHE A 222 -13.236 -26.763 -49.062 1.00 2.00 C +ATOM 1676 N MET A 223 -14.540 -20.026 -47.455 1.00 3.21 N +ATOM 1677 CA MET A 223 -14.269 -18.614 -47.189 1.00 2.98 C +ATOM 1678 C MET A 223 -12.849 -18.521 -46.587 1.00 2.98 C +ATOM 1679 O MET A 223 -12.399 -19.373 -45.801 1.00 2.15 O +ATOM 1680 CB MET A 223 -15.354 -17.911 -46.414 1.00 4.10 C +ATOM 1681 CG MET A 223 -14.979 -16.463 -46.113 1.00 5.45 C +ATOM 1682 SD MET A 223 -16.283 -15.611 -45.188 1.00 2.90 S +ATOM 1683 CE MET A 223 -17.603 -15.589 -46.368 1.00 6.98 C +ATOM 1684 N GLY A 224 -12.120 -17.513 -47.050 1.00 2.61 N +ATOM 1685 CA GLY A 224 -10.764 -17.300 -46.541 1.00 2.47 C +ATOM 1686 C GLY A 224 -10.576 -15.781 -46.437 1.00 2.70 C +ATOM 1687 O GLY A 224 -11.390 -14.993 -46.900 1.00 2.45 O +ATOM 1688 N PRO A 225 -9.483 -15.398 -45.813 1.00 2.97 N +ATOM 1689 CA PRO A 225 -9.113 -13.971 -45.709 1.00 3.40 C +ATOM 1690 C PRO A 225 -8.211 -13.580 -46.853 1.00 4.36 C +ATOM 1691 O PRO A 225 -7.677 -14.418 -47.640 1.00 2.88 O +ATOM 1692 CB PRO A 225 -8.355 -14.021 -44.367 1.00 3.40 C +ATOM 1693 CG PRO A 225 -7.454 -15.220 -44.703 1.00 2.98 C +ATOM 1694 CD PRO A 225 -8.478 -16.264 -45.177 1.00 2.70 C +ATOM 1695 N GLU A 226 -7.948 -12.253 -46.980 1.00 5.46 N +ATOM 1696 CA GLU A 226 -7.115 -11.848 -48.091 1.00 6.37 C +ATOM 1697 C GLU A 226 -5.818 -12.594 -48.241 1.00 6.81 C +ATOM 1698 O GLU A 226 -5.384 -12.629 -49.455 1.00 8.01 O +ATOM 1699 CB GLU A 226 -6.776 -10.407 -48.218 1.00 8.41 C +ATOM 1700 CG GLU A 226 -6.349 -9.591 -47.004 1.00 11.18 C +ATOM 1701 CD GLU A 226 -6.002 -8.199 -47.501 1.00 12.12 C +ATOM 1702 OE1 GLU A 226 -5.830 -8.072 -48.715 1.00 13.48 O +ATOM 1703 OE2 GLU A 226 -5.978 -7.404 -46.587 1.00 13.67 O +ATOM 1704 N GLY A 227 -5.160 -13.112 -47.258 1.00 6.61 N +ATOM 1705 CA GLY A 227 -3.888 -13.808 -47.524 1.00 7.00 C +ATOM 1706 C GLY A 227 -4.052 -14.880 -48.599 1.00 7.93 C +ATOM 1707 O GLY A 227 -3.015 -15.405 -49.062 1.00 8.20 O +ATOM 1708 N VAL A 228 -5.232 -15.163 -49.039 1.00 8.31 N +ATOM 1709 CA VAL A 228 -5.683 -16.179 -49.987 1.00 8.97 C +ATOM 1710 C VAL A 228 -5.974 -15.689 -51.386 1.00 9.69 C +ATOM 1711 O VAL A 228 -5.990 -16.455 -52.357 1.00 9.52 O +ATOM 1712 CB VAL A 228 -6.971 -16.810 -49.316 1.00 8.57 C +ATOM 1713 CG1 VAL A 228 -8.183 -16.860 -50.207 1.00 8.38 C +ATOM 1714 CG2 VAL A 228 -6.704 -18.088 -48.599 1.00 6.98 C +ATOM 1715 N ALA A 229 -6.213 -14.411 -51.502 1.00 10.65 N +ATOM 1716 CA ALA A 229 -6.556 -13.722 -52.750 1.00 12.01 C +ATOM 1717 C ALA A 229 -5.312 -13.410 -53.560 1.00 12.84 C +ATOM 1718 O ALA A 229 -4.961 -12.196 -53.652 1.00 13.84 O +ATOM 1719 CB ALA A 229 -7.266 -12.395 -52.380 1.00 11.39 C +ATOM 1720 N ASN A 230 -4.666 -14.432 -54.126 1.00 12.98 N +ATOM 1721 CA ASN A 230 -3.410 -14.148 -54.878 1.00 12.03 C +ATOM 1722 C ASN A 230 -3.581 -14.780 -56.242 1.00 11.53 C +ATOM 1723 O ASN A 230 -4.271 -15.802 -56.347 1.00 11.49 O +ATOM 1724 CB ASN A 230 -2.197 -14.567 -54.080 1.00 13.29 C +ATOM 1725 CG ASN A 230 -0.913 -14.425 -54.878 1.00 16.19 C +ATOM 1726 OD1 ASN A 230 -0.040 -13.531 -54.658 1.00 17.72 O +ATOM 1727 ND2 ASN A 230 -0.734 -15.327 -55.849 1.00 15.84 N +ATOM 1728 N VAL A 231 -2.991 -14.113 -57.214 1.00 10.44 N +ATOM 1729 CA VAL A 231 -3.003 -14.553 -58.624 1.00 8.98 C +ATOM 1730 C VAL A 231 -2.624 -16.058 -58.717 1.00 8.36 C +ATOM 1731 O VAL A 231 -3.147 -16.761 -59.607 1.00 9.00 O +ATOM 1732 CB VAL A 231 -2.010 -13.658 -59.399 1.00 9.35 C +ATOM 1733 CG1 VAL A 231 -0.530 -13.942 -59.075 1.00 8.26 C +ATOM 1734 CG2 VAL A 231 -2.253 -13.808 -60.902 1.00 9.33 C +ATOM 1735 N SER A 232 -1.711 -16.526 -57.896 1.00 6.09 N +ATOM 1736 CA SER A 232 -1.192 -17.833 -57.722 1.00 5.34 C +ATOM 1737 C SER A 232 -2.329 -18.834 -57.376 1.00 6.32 C +ATOM 1738 O SER A 232 -2.357 -20.040 -57.711 1.00 4.62 O +ATOM 1739 CB SER A 232 -0.239 -17.918 -56.520 1.00 3.71 C +ATOM 1740 OG SER A 232 1.101 -17.982 -56.959 1.00 3.40 O +ATOM 1741 N LEU A 233 -3.262 -18.252 -56.601 1.00 6.68 N +ATOM 1742 CA LEU A 233 -4.375 -19.125 -56.173 1.00 7.25 C +ATOM 1743 C LEU A 233 -5.101 -19.558 -57.445 1.00 7.71 C +ATOM 1744 O LEU A 233 -5.396 -20.750 -57.676 1.00 8.25 O +ATOM 1745 CB LEU A 233 -5.312 -18.408 -55.202 1.00 4.93 C +ATOM 1746 CG LEU A 233 -6.632 -19.196 -55.086 1.00 5.57 C +ATOM 1747 CD1 LEU A 233 -6.405 -20.495 -54.300 1.00 2.41 C +ATOM 1748 CD2 LEU A 233 -7.641 -18.237 -54.450 1.00 4.76 C +ATOM 1749 N SER A 234 -5.396 -18.514 -58.243 1.00 7.20 N +ATOM 1750 CA SER A 234 -6.146 -18.969 -59.445 1.00 7.86 C +ATOM 1751 C SER A 234 -5.292 -19.622 -60.486 1.00 7.18 C +ATOM 1752 O SER A 234 -5.822 -20.466 -61.249 1.00 6.73 O +ATOM 1753 CB SER A 234 -7.190 -17.960 -59.862 1.00 9.43 C +ATOM 1754 OG SER A 234 -8.431 -18.479 -59.237 1.00 11.64 O +ATOM 1755 N ASN A 235 -3.984 -19.352 -60.509 1.00 6.81 N +ATOM 1756 CA ASN A 235 -3.162 -19.991 -61.550 1.00 6.25 C +ATOM 1757 C ASN A 235 -3.202 -21.496 -61.330 1.00 5.91 C +ATOM 1758 O ASN A 235 -3.166 -22.298 -62.255 1.00 6.09 O +ATOM 1759 CB ASN A 235 -1.799 -19.359 -61.631 1.00 6.79 C +ATOM 1760 CG ASN A 235 -1.651 -17.982 -62.221 1.00 4.97 C +ATOM 1761 OD1 ASN A 235 -2.552 -17.598 -62.949 1.00 3.71 O +ATOM 1762 ND2 ASN A 235 -0.526 -17.329 -61.931 1.00 3.79 N +ATOM 1763 N ILE A 236 -3.398 -21.865 -60.070 1.00 6.42 N +ATOM 1764 CA ILE A 236 -3.398 -23.249 -59.619 1.00 6.34 C +ATOM 1765 C ILE A 236 -4.710 -23.931 -59.353 1.00 6.43 C +ATOM 1766 O ILE A 236 -4.814 -25.152 -59.573 1.00 7.43 O +ATOM 1767 CB ILE A 236 -2.516 -23.420 -58.301 1.00 5.90 C +ATOM 1768 CG1 ILE A 236 -1.057 -23.143 -58.740 1.00 6.43 C +ATOM 1769 CG2 ILE A 236 -2.708 -24.846 -57.722 1.00 5.26 C +ATOM 1770 CD1 ILE A 236 -0.203 -22.511 -57.584 1.00 7.74 C +ATOM 1771 N ALA A 237 -5.635 -23.164 -58.844 1.00 5.75 N +ATOM 1772 CA ALA A 237 -6.935 -23.696 -58.474 1.00 5.09 C +ATOM 1773 C ALA A 237 -7.832 -23.782 -59.700 1.00 4.85 C +ATOM 1774 O ALA A 237 -8.447 -24.846 -59.827 1.00 5.63 O +ATOM 1775 CB ALA A 237 -7.589 -22.852 -57.376 1.00 3.19 C +ATOM 1776 N GLY A 238 -7.908 -22.703 -60.428 1.00 4.83 N +ATOM 1777 CA GLY A 238 -8.809 -22.554 -61.573 1.00 5.38 C +ATOM 1778 C GLY A 238 -10.245 -22.468 -60.972 1.00 5.88 C +ATOM 1779 O GLY A 238 -10.648 -21.773 -60.081 1.00 4.84 O +ATOM 1780 N GLU A 239 -11.051 -23.320 -61.550 1.00 7.46 N +ATOM 1781 CA GLU A 239 -12.451 -23.647 -61.400 1.00 7.61 C +ATOM 1782 C GLU A 239 -12.941 -23.952 -59.989 1.00 5.88 C +ATOM 1783 O GLU A 239 -14.074 -23.611 -59.630 1.00 5.86 O +ATOM 1784 CB GLU A 239 -12.698 -24.981 -62.174 1.00 10.81 C +ATOM 1785 CG GLU A 239 -13.707 -24.790 -63.307 1.00 14.66 C +ATOM 1786 CD GLU A 239 -15.027 -24.342 -62.741 1.00 16.42 C +ATOM 1787 OE1 GLU A 239 -15.733 -25.159 -62.186 1.00 18.35 O +ATOM 1788 OE2 GLU A 239 -15.234 -23.121 -62.903 1.00 18.98 O +ATOM 1789 N SER A 240 -12.040 -24.648 -59.330 1.00 4.41 N +ATOM 1790 CA SER A 240 -12.179 -25.045 -57.931 1.00 3.40 C +ATOM 1791 C SER A 240 -12.303 -23.824 -57.006 1.00 2.90 C +ATOM 1792 O SER A 240 -12.726 -23.952 -55.872 1.00 2.00 O +ATOM 1793 CB SER A 240 -10.983 -25.897 -57.480 1.00 2.00 C +ATOM 1794 OG SER A 240 -11.111 -27.083 -58.243 1.00 2.86 O +ATOM 1795 N ALA A 241 -11.872 -22.688 -57.491 1.00 2.63 N +ATOM 1796 CA ALA A 241 -11.892 -21.460 -56.705 1.00 2.76 C +ATOM 1797 C ALA A 241 -13.093 -20.601 -57.052 1.00 2.44 C +ATOM 1798 O ALA A 241 -13.156 -19.480 -56.532 1.00 3.05 O +ATOM 1799 CB ALA A 241 -10.564 -20.708 -56.982 1.00 2.41 C +ATOM 1800 N GLU A 242 -13.942 -21.070 -57.931 1.00 2.65 N +ATOM 1801 CA GLU A 242 -15.119 -20.353 -58.416 1.00 4.58 C +ATOM 1802 C GLU A 242 -16.159 -20.431 -57.306 1.00 5.09 C +ATOM 1803 O GLU A 242 -16.542 -21.545 -56.890 1.00 5.12 O +ATOM 1804 CB GLU A 242 -15.773 -20.885 -59.700 1.00 6.50 C +ATOM 1805 CG GLU A 242 -17.009 -20.090 -60.209 1.00 6.69 C +ATOM 1806 CD GLU A 242 -16.670 -18.692 -60.671 1.00 8.03 C +ATOM 1807 OE1 GLU A 242 -17.176 -17.627 -60.289 1.00 7.69 O +ATOM 1808 OE2 GLU A 242 -15.697 -18.834 -61.469 1.00 6.66 O +ATOM 1809 N GLY A 243 -16.502 -19.238 -56.821 1.00 4.86 N +ATOM 1810 CA GLY A 243 -17.487 -19.224 -55.699 1.00 4.18 C +ATOM 1811 C GLY A 243 -16.785 -19.103 -54.381 1.00 3.94 C +ATOM 1812 O GLY A 243 -17.503 -19.103 -53.352 1.00 3.96 O +ATOM 1813 N LEU A 244 -15.453 -19.054 -54.300 1.00 3.17 N +ATOM 1814 CA LEU A 244 -14.847 -18.862 -52.982 1.00 3.25 C +ATOM 1815 C LEU A 244 -15.138 -17.378 -52.589 1.00 4.61 C +ATOM 1816 O LEU A 244 -15.027 -16.399 -53.375 1.00 4.14 O +ATOM 1817 CB LEU A 244 -13.400 -19.217 -53.028 1.00 3.20 C +ATOM 1818 CG LEU A 244 -12.451 -18.564 -51.999 1.00 2.81 C +ATOM 1819 CD1 LEU A 244 -12.427 -19.352 -50.692 1.00 2.00 C +ATOM 1820 CD2 LEU A 244 -11.123 -18.422 -52.704 1.00 2.00 C +ATOM 1821 N LEU A 245 -15.537 -17.293 -51.317 1.00 4.28 N +ATOM 1822 CA LEU A 245 -15.812 -16.008 -50.681 1.00 3.99 C +ATOM 1823 C LEU A 245 -14.445 -15.589 -50.091 1.00 4.24 C +ATOM 1824 O LEU A 245 -13.707 -16.349 -49.397 1.00 4.69 O +ATOM 1825 CB LEU A 245 -16.929 -16.172 -49.686 1.00 2.95 C +ATOM 1826 CG LEU A 245 -18.357 -15.866 -49.998 1.00 3.55 C +ATOM 1827 CD1 LEU A 245 -18.616 -15.597 -51.455 1.00 2.00 C +ATOM 1828 CD2 LEU A 245 -19.218 -17.038 -49.467 1.00 3.77 C +ATOM 1829 N VAL A 246 -14.161 -14.319 -50.287 1.00 3.83 N +ATOM 1830 CA VAL A 246 -12.889 -13.779 -49.825 1.00 3.87 C +ATOM 1831 C VAL A 246 -13.073 -12.473 -49.085 1.00 4.14 C +ATOM 1832 O VAL A 246 -13.922 -11.642 -49.478 1.00 3.79 O +ATOM 1833 CB VAL A 246 -12.040 -13.673 -51.108 1.00 3.24 C +ATOM 1834 CG1 VAL A 246 -11.071 -12.544 -50.947 1.00 4.90 C +ATOM 1835 CG2 VAL A 246 -11.382 -14.979 -51.490 1.00 3.87 C +ATOM 1836 N THR A 247 -12.235 -12.288 -48.079 1.00 4.14 N +ATOM 1837 CA THR A 247 -12.275 -11.060 -47.246 1.00 5.21 C +ATOM 1838 C THR A 247 -11.178 -10.123 -47.674 1.00 5.78 C +ATOM 1839 O THR A 247 -10.006 -10.563 -47.744 1.00 6.67 O +ATOM 1840 CB THR A 247 -12.151 -11.465 -45.720 1.00 5.43 C +ATOM 1841 OG1 THR A 247 -13.316 -10.833 -45.119 1.00 6.87 O +ATOM 1842 CG2 THR A 247 -10.807 -11.259 -45.107 1.00 3.26 C +ATOM 1843 N LYS A 248 -11.561 -8.916 -48.044 1.00 5.74 N +ATOM 1844 CA LYS A 248 -10.500 -7.972 -48.484 1.00 6.21 C +ATOM 1845 C LYS A 248 -11.087 -6.588 -48.541 1.00 6.59 C +ATOM 1846 O LYS A 248 -12.319 -6.354 -48.576 1.00 7.29 O +ATOM 1847 CB LYS A 248 -9.787 -8.434 -49.721 1.00 6.22 C +ATOM 1848 CG LYS A 248 -10.492 -8.093 -51.016 1.00 6.89 C +ATOM 1849 CD LYS A 248 -9.543 -8.285 -52.219 1.00 8.82 C +ATOM 1850 CE LYS A 248 -10.221 -7.475 -53.352 1.00 10.11 C +ATOM 1851 NZ LYS A 248 -10.536 -6.126 -52.658 1.00 12.27 N +ATOM 1852 N PRO A 249 -10.181 -5.622 -48.588 1.00 6.72 N +ATOM 1853 CA PRO A 249 -10.616 -4.217 -48.611 1.00 7.08 C +ATOM 1854 C PRO A 249 -11.657 -3.926 -49.652 1.00 8.10 C +ATOM 1855 O PRO A 249 -11.705 -4.501 -50.773 1.00 9.30 O +ATOM 1856 CB PRO A 249 -9.320 -3.464 -48.680 1.00 6.80 C +ATOM 1857 CG PRO A 249 -8.183 -4.437 -48.819 1.00 6.06 C +ATOM 1858 CD PRO A 249 -8.714 -5.807 -48.530 1.00 6.28 C +ATOM 1859 N LYS A 250 -12.558 -3.017 -49.339 1.00 8.82 N +ATOM 1860 CA LYS A 250 -13.627 -2.556 -50.241 1.00 9.16 C +ATOM 1861 C LYS A 250 -13.001 -1.626 -51.293 1.00 9.76 C +ATOM 1862 O LYS A 250 -12.048 -0.887 -51.085 1.00 9.76 O +ATOM 1863 CB LYS A 250 -14.728 -1.768 -49.582 1.00 10.25 C +ATOM 1864 CG LYS A 250 -15.561 -2.421 -48.472 1.00 11.31 C +ATOM 1865 CD LYS A 250 -16.650 -1.491 -47.998 1.00 12.65 C +ATOM 1866 CE LYS A 250 -17.136 -1.647 -46.576 1.00 13.75 C +ATOM 1867 NZ LYS A 250 -18.417 -2.414 -46.541 1.00 15.12 N +ATOM 1868 N ASN A 251 -13.587 -1.718 -52.473 1.00 10.55 N +ATOM 1869 CA ASN A 251 -13.164 -0.902 -53.618 1.00 10.71 C +ATOM 1870 C ASN A 251 -13.806 0.469 -53.398 1.00 10.96 C +ATOM 1871 O ASN A 251 -14.935 0.582 -53.918 1.00 11.05 O +ATOM 1872 CB ASN A 251 -13.699 -1.569 -54.901 1.00 12.75 C +ATOM 1873 CG ASN A 251 -12.921 -2.861 -55.190 1.00 12.72 C +ATOM 1874 OD1 ASN A 251 -13.467 -3.762 -55.838 1.00 12.21 O +ATOM 1875 ND2 ASN A 251 -11.673 -2.882 -54.658 1.00 12.52 N +ATOM 1876 N TYR A 252 -13.144 1.335 -52.693 1.00 10.97 N +ATOM 1877 CA TYR A 252 -13.679 2.676 -52.415 1.00 12.02 C +ATOM 1878 C TYR A 252 -13.779 3.457 -53.710 1.00 13.17 C +ATOM 1879 O TYR A 252 -14.496 4.408 -53.976 1.00 13.68 O +ATOM 1880 CB TYR A 252 -12.841 3.365 -51.305 1.00 11.06 C +ATOM 1881 CG TYR A 252 -13.013 2.627 -49.998 1.00 8.92 C +ATOM 1882 CD1 TYR A 252 -14.249 2.442 -49.374 1.00 8.22 C +ATOM 1883 CD2 TYR A 252 -11.880 2.059 -49.432 1.00 9.06 C +ATOM 1884 CE1 TYR A 252 -14.353 1.718 -48.171 1.00 7.41 C +ATOM 1885 CE2 TYR A 252 -11.956 1.356 -48.252 1.00 9.31 C +ATOM 1886 CZ TYR A 252 -13.200 1.200 -47.616 1.00 8.88 C +ATOM 1887 OH TYR A 252 -13.117 0.454 -46.472 1.00 9.92 O +ATOM 1888 N ASP A 253 -12.969 3.003 -54.566 1.00 15.01 N +ATOM 1889 CA ASP A 253 -12.674 3.308 -55.965 1.00 16.76 C +ATOM 1890 C ASP A 253 -13.998 3.550 -56.774 1.00 16.98 C +ATOM 1891 O ASP A 253 -14.185 4.366 -57.653 1.00 16.72 O +ATOM 1892 CB ASP A 253 -12.303 1.832 -56.393 1.00 18.42 C +ATOM 1893 CG ASP A 253 -11.198 1.455 -57.237 1.00 19.83 C +ATOM 1894 OD1 ASP A 253 -11.314 1.143 -58.451 1.00 21.23 O +ATOM 1895 OD2 ASP A 253 -10.070 1.370 -56.670 1.00 21.99 O +ATOM 1896 N GLN A 254 -14.847 2.577 -56.427 1.00 16.69 N +ATOM 1897 CA GLN A 254 -16.116 2.229 -56.948 1.00 16.23 C +ATOM 1898 C GLN A 254 -17.372 2.691 -56.254 1.00 14.85 C +ATOM 1899 O GLN A 254 -18.456 2.293 -56.786 1.00 14.67 O +ATOM 1900 CB GLN A 254 -16.195 0.689 -57.052 1.00 19.10 C +ATOM 1901 CG GLN A 254 -15.422 0.064 -58.220 1.00 22.14 C +ATOM 1902 CD GLN A 254 -15.453 -1.441 -57.954 1.00 25.03 C +ATOM 1903 OE1 GLN A 254 -14.441 -2.123 -57.838 1.00 27.05 O +ATOM 1904 NE2 GLN A 254 -16.682 -1.931 -57.746 1.00 25.77 N +ATOM 1905 N VAL A 255 -17.272 3.422 -55.179 1.00 13.67 N +ATOM 1906 CA VAL A 255 -18.548 3.897 -54.543 1.00 12.27 C +ATOM 1907 C VAL A 255 -19.039 5.104 -55.352 1.00 11.80 C +ATOM 1908 O VAL A 255 -18.265 6.048 -55.676 1.00 12.18 O +ATOM 1909 CB VAL A 255 -18.421 4.160 -53.051 1.00 10.89 C +ATOM 1910 CG1 VAL A 255 -19.733 3.684 -52.415 1.00 10.60 C +ATOM 1911 CG2 VAL A 255 -17.212 3.528 -52.404 1.00 10.24 C +ATOM 1912 N PRO A 256 -20.311 5.054 -55.653 1.00 10.84 N +ATOM 1913 CA PRO A 256 -20.925 6.098 -56.474 1.00 10.35 C +ATOM 1914 C PRO A 256 -20.435 7.468 -56.069 1.00 10.20 C +ATOM 1915 O PRO A 256 -20.155 8.306 -56.971 1.00 10.71 O +ATOM 1916 CB PRO A 256 -22.409 5.835 -56.416 1.00 10.40 C +ATOM 1917 CG PRO A 256 -22.616 4.778 -55.375 1.00 10.80 C +ATOM 1918 CD PRO A 256 -21.292 4.004 -55.317 1.00 11.05 C +ATOM 1919 N ALA A 257 -20.251 7.752 -54.797 1.00 9.41 N +ATOM 1920 CA ALA A 257 -19.804 9.065 -54.369 1.00 9.08 C +ATOM 1921 C ALA A 257 -18.341 9.399 -54.589 1.00 8.78 C +ATOM 1922 O ALA A 257 -18.094 10.620 -54.566 1.00 8.54 O +ATOM 1923 CB ALA A 257 -20.235 9.293 -52.912 1.00 9.98 C +ATOM 1924 N ASN A 258 -17.420 8.476 -54.774 1.00 8.39 N +ATOM 1925 CA ASN A 258 -15.984 8.760 -54.936 1.00 8.44 C +ATOM 1926 C ASN A 258 -15.653 9.087 -56.404 1.00 8.76 C +ATOM 1927 O ASN A 258 -14.532 9.385 -56.844 1.00 7.42 O +ATOM 1928 CB ASN A 258 -15.095 7.582 -54.439 1.00 7.07 C +ATOM 1929 CG ASN A 258 -15.254 7.234 -52.982 1.00 7.04 C +ATOM 1930 OD1 ASN A 258 -15.717 8.043 -52.172 1.00 6.92 O +ATOM 1931 ND2 ASN A 258 -14.883 6.034 -52.554 1.00 6.20 N +ATOM 1932 N LYS A 259 -16.774 9.002 -57.133 1.00 9.83 N +ATOM 1933 CA LYS A 259 -16.698 9.200 -58.613 1.00 10.41 C +ATOM 1934 C LYS A 259 -15.888 10.400 -59.006 1.00 10.71 C +ATOM 1935 O LYS A 259 -14.883 10.258 -59.758 1.00 11.98 O +ATOM 1936 CB LYS A 259 -18.078 9.065 -59.191 1.00 12.11 C +ATOM 1937 CG LYS A 259 -18.102 8.107 -60.417 1.00 13.24 C +ATOM 1938 CD LYS A 259 -18.113 8.938 -61.677 1.00 14.50 C +ATOM 1939 CE LYS A 259 -18.628 8.263 -62.926 1.00 14.65 C +ATOM 1940 NZ LYS A 259 -18.460 9.250 -64.071 1.00 14.84 N +ATOM 1941 N PRO A 260 -16.247 11.607 -58.590 1.00 10.26 N +ATOM 1942 CA PRO A 260 -15.477 12.828 -58.902 1.00 9.25 C +ATOM 1943 C PRO A 260 -14.002 12.679 -58.543 1.00 8.27 C +ATOM 1944 O PRO A 260 -13.200 13.332 -59.203 1.00 7.03 O +ATOM 1945 CB PRO A 260 -16.096 13.907 -58.023 1.00 9.55 C +ATOM 1946 CG PRO A 260 -17.491 13.431 -57.757 1.00 9.61 C +ATOM 1947 CD PRO A 260 -17.408 11.898 -57.722 1.00 9.85 C +ATOM 1948 N ILE A 261 -13.663 11.813 -57.595 1.00 7.24 N +ATOM 1949 CA ILE A 261 -12.231 11.642 -57.237 1.00 7.35 C +ATOM 1950 C ILE A 261 -11.501 10.705 -58.197 1.00 7.19 C +ATOM 1951 O ILE A 261 -10.357 10.904 -58.613 1.00 5.77 O +ATOM 1952 CB ILE A 261 -12.052 11.316 -55.722 1.00 6.82 C +ATOM 1953 CG1 ILE A 261 -12.790 12.359 -54.866 1.00 6.93 C +ATOM 1954 CG2 ILE A 261 -10.560 11.266 -55.260 1.00 6.96 C +ATOM 1955 CD1 ILE A 261 -12.977 11.905 -53.398 1.00 5.98 C +ATOM 1956 N VAL A 262 -12.191 9.648 -58.590 1.00 8.08 N +ATOM 1957 CA VAL A 262 -11.773 8.654 -59.573 1.00 8.91 C +ATOM 1958 C VAL A 262 -11.669 9.378 -60.925 1.00 9.87 C +ATOM 1959 O VAL A 262 -10.608 9.321 -61.550 1.00 10.84 O +ATOM 1960 CB VAL A 262 -12.829 7.546 -59.677 1.00 9.21 C +ATOM 1961 CG1 VAL A 262 -12.490 6.474 -60.706 1.00 9.85 C +ATOM 1962 CG2 VAL A 262 -13.073 6.936 -58.301 1.00 9.97 C +ATOM 1963 N ASP A 263 -12.758 10.017 -61.307 1.00 10.09 N +ATOM 1964 CA ASP A 263 -12.742 10.755 -62.591 1.00 11.47 C +ATOM 1965 C ASP A 263 -11.422 11.522 -62.625 1.00 11.73 C +ATOM 1966 O ASP A 263 -10.488 11.145 -63.365 1.00 12.88 O +ATOM 1967 CB ASP A 263 -14.042 11.515 -62.776 1.00 13.63 C +ATOM 1968 CG ASP A 263 -15.262 10.684 -63.111 1.00 14.25 C +ATOM 1969 OD1 ASP A 263 -16.391 11.224 -63.076 1.00 15.67 O +ATOM 1970 OD2 ASP A 263 -15.170 9.484 -63.446 1.00 14.61 O +ATOM 1971 N ALA A 264 -11.230 12.516 -61.839 1.00 11.64 N +ATOM 1972 CA ALA A 264 -10.102 13.360 -61.654 1.00 11.53 C +ATOM 1973 C ALA A 264 -8.746 12.736 -61.434 1.00 11.70 C +ATOM 1974 O ALA A 264 -7.773 13.488 -61.746 1.00 11.65 O +ATOM 1975 CB ALA A 264 -10.313 14.269 -60.382 1.00 13.04 C +ATOM 1976 N ILE A 265 -8.626 11.543 -60.879 1.00 12.14 N +ATOM 1977 CA ILE A 265 -7.254 10.982 -60.625 1.00 12.37 C +ATOM 1978 C ILE A 265 -6.720 10.514 -61.989 1.00 14.10 C +ATOM 1979 O ILE A 265 -5.555 10.734 -62.371 1.00 14.34 O +ATOM 1980 CB ILE A 265 -7.314 9.875 -59.538 1.00 11.31 C +ATOM 1981 CG1 ILE A 265 -7.609 10.372 -58.104 1.00 10.26 C +ATOM 1982 CG2 ILE A 265 -6.062 8.923 -59.515 1.00 11.39 C +ATOM 1983 CD1 ILE A 265 -7.290 9.406 -56.936 1.00 8.55 C +ATOM 1984 N LYS A 266 -7.633 9.861 -62.718 1.00 14.80 N +ATOM 1985 CA LYS A 266 -7.521 9.264 -64.013 1.00 15.50 C +ATOM 1986 C LYS A 266 -7.330 10.251 -65.158 1.00 16.17 C +ATOM 1987 O LYS A 266 -7.019 9.782 -66.268 1.00 16.37 O +ATOM 1988 CB LYS A 266 -8.790 8.476 -64.348 1.00 16.42 C +ATOM 1989 CG LYS A 266 -8.873 7.049 -63.851 1.00 17.38 C +ATOM 1990 CD LYS A 266 -9.806 6.183 -64.718 1.00 17.79 C +ATOM 1991 CE LYS A 266 -11.274 6.389 -64.464 1.00 18.92 C +ATOM 1992 NZ LYS A 266 -12.135 5.225 -64.880 1.00 18.66 N +ATOM 1993 N ALA A 267 -7.577 11.515 -64.961 1.00 16.52 N +ATOM 1994 CA ALA A 267 -7.446 12.622 -65.851 1.00 16.88 C +ATOM 1995 C ALA A 267 -5.962 13.020 -65.921 1.00 18.23 C +ATOM 1996 O ALA A 267 -5.499 13.637 -66.892 1.00 18.97 O +ATOM 1997 CB ALA A 267 -8.104 13.907 -65.343 1.00 16.05 C +ATOM 1998 N LYS A 268 -5.292 12.693 -64.845 1.00 19.72 N +ATOM 1999 CA LYS A 268 -3.848 13.069 -64.741 1.00 20.89 C +ATOM 2000 C LYS A 268 -3.035 11.841 -64.996 1.00 21.47 C +ATOM 2001 O LYS A 268 -1.870 11.791 -64.591 1.00 22.07 O +ATOM 2002 CB LYS A 268 -3.613 13.623 -63.331 1.00 22.10 C +ATOM 2003 CG LYS A 268 -4.467 14.880 -63.099 1.00 22.98 C +ATOM 2004 CD LYS A 268 -4.957 15.043 -61.677 1.00 24.50 C +ATOM 2005 CE LYS A 268 -3.896 14.929 -60.602 1.00 25.46 C +ATOM 2006 NZ LYS A 268 -4.506 15.021 -59.226 1.00 25.38 N +ATOM 2007 N LYS A 269 -3.737 10.925 -65.632 1.00 22.12 N +ATOM 2008 CA LYS A 269 -3.258 9.591 -66.002 1.00 22.79 C +ATOM 2009 C LYS A 269 -2.640 8.895 -64.799 1.00 22.58 C +ATOM 2010 O LYS A 269 -1.476 8.462 -64.880 1.00 23.43 O +ATOM 2011 CB LYS A 269 -2.257 9.562 -67.158 1.00 23.72 C +ATOM 2012 CG LYS A 269 -2.353 10.556 -68.280 1.00 24.95 C +ATOM 2013 CD LYS A 269 -3.326 10.251 -69.378 1.00 25.57 C +ATOM 2014 CE LYS A 269 -3.693 11.444 -70.257 1.00 25.93 C +ATOM 2015 NZ LYS A 269 -2.465 12.068 -70.846 1.00 26.53 N +ATOM 2016 N GLN A 270 -3.330 8.831 -63.689 1.00 22.66 N +ATOM 2017 CA GLN A 270 -2.772 8.157 -62.475 1.00 22.01 C +ATOM 2018 C GLN A 270 -3.824 7.064 -62.232 1.00 21.25 C +ATOM 2019 O GLN A 270 -4.897 7.198 -62.845 1.00 20.57 O +ATOM 2020 CB GLN A 270 -2.425 8.987 -61.272 1.00 23.38 C +ATOM 2021 CG GLN A 270 -1.448 10.130 -61.515 1.00 23.93 C +ATOM 2022 CD GLN A 270 -1.364 11.188 -60.440 1.00 23.62 C +ATOM 2023 OE1 GLN A 270 -0.578 12.139 -60.474 1.00 23.74 O +ATOM 2024 NE2 GLN A 270 -2.205 11.117 -59.422 1.00 23.96 N +ATOM 2025 N ASP A 271 -3.450 6.112 -61.411 1.00 20.71 N +ATOM 2026 CA ASP A 271 -4.287 4.920 -61.122 1.00 19.75 C +ATOM 2027 C ASP A 271 -4.977 4.998 -59.769 1.00 18.68 C +ATOM 2028 O ASP A 271 -4.319 4.792 -58.740 1.00 18.44 O +ATOM 2029 CB ASP A 271 -3.334 3.741 -61.284 1.00 20.79 C +ATOM 2030 CG ASP A 271 -3.848 2.343 -61.157 1.00 22.54 C +ATOM 2031 OD1 ASP A 271 -3.119 1.370 -61.515 1.00 23.41 O +ATOM 2032 OD2 ASP A 271 -5.001 2.179 -60.706 1.00 22.69 O +ATOM 2033 N PRO A 272 -6.265 5.253 -59.815 1.00 17.40 N +ATOM 2034 CA PRO A 272 -7.119 5.381 -58.659 1.00 16.66 C +ATOM 2035 C PRO A 272 -7.717 4.125 -58.069 1.00 15.46 C +ATOM 2036 O PRO A 272 -8.638 4.295 -57.248 1.00 15.50 O +ATOM 2037 CB PRO A 272 -8.339 6.190 -59.237 1.00 16.75 C +ATOM 2038 CG PRO A 272 -8.486 5.445 -60.544 1.00 17.35 C +ATOM 2039 CD PRO A 272 -7.023 5.530 -61.053 1.00 17.66 C +ATOM 2040 N SER A 273 -7.302 2.960 -58.428 1.00 14.55 N +ATOM 2041 CA SER A 273 -7.824 1.682 -57.954 1.00 13.07 C +ATOM 2042 C SER A 273 -7.023 1.186 -56.751 1.00 13.01 C +ATOM 2043 O SER A 273 -7.625 0.525 -55.872 1.00 13.47 O +ATOM 2044 CB SER A 273 -7.820 0.632 -59.041 1.00 13.68 C +ATOM 2045 OG SER A 273 -6.500 0.064 -59.179 1.00 14.35 O +ATOM 2046 N GLY A 274 -5.727 1.477 -56.693 1.00 11.76 N +ATOM 2047 CA GLY A 274 -4.941 1.072 -55.514 1.00 10.93 C +ATOM 2048 C GLY A 274 -5.627 1.498 -54.207 1.00 9.84 C +ATOM 2049 O GLY A 274 -6.405 2.421 -53.999 1.00 10.28 O +ATOM 2050 N ALA A 275 -5.340 0.745 -53.167 1.00 9.55 N +ATOM 2051 CA ALA A 275 -5.842 0.845 -51.837 1.00 8.87 C +ATOM 2052 C ALA A 275 -5.316 1.981 -50.993 1.00 8.15 C +ATOM 2053 O ALA A 275 -6.193 2.478 -50.253 1.00 8.03 O +ATOM 2054 CB ALA A 275 -5.767 -0.497 -51.097 1.00 7.78 C +ATOM 2055 N PHE A 276 -4.076 2.399 -51.039 1.00 8.17 N +ATOM 2056 CA PHE A 276 -3.577 3.493 -50.160 1.00 7.68 C +ATOM 2057 C PHE A 276 -3.968 4.856 -50.658 1.00 7.38 C +ATOM 2058 O PHE A 276 -3.665 5.878 -50.033 1.00 7.36 O +ATOM 2059 CB PHE A 276 -2.094 3.337 -49.779 1.00 7.91 C +ATOM 2060 CG PHE A 276 -1.886 1.917 -49.305 1.00 8.43 C +ATOM 2061 CD1 PHE A 276 -2.784 1.399 -48.356 1.00 8.45 C +ATOM 2062 CD2 PHE A 276 -0.905 1.107 -49.848 1.00 9.31 C +ATOM 2063 CE1 PHE A 276 -2.668 0.078 -47.929 1.00 9.45 C +ATOM 2064 CE2 PHE A 276 -0.798 -0.234 -49.467 1.00 10.47 C +ATOM 2065 CZ PHE A 276 -1.683 -0.752 -48.461 1.00 10.44 C +ATOM 2066 N VAL A 277 -4.602 4.849 -51.837 1.00 7.32 N +ATOM 2067 CA VAL A 277 -5.105 6.063 -52.473 1.00 6.31 C +ATOM 2068 C VAL A 277 -6.309 6.474 -51.594 1.00 5.97 C +ATOM 2069 O VAL A 277 -6.389 7.667 -51.409 1.00 7.01 O +ATOM 2070 CB VAL A 277 -5.579 5.906 -53.930 1.00 6.15 C +ATOM 2071 CG1 VAL A 277 -6.329 7.156 -54.439 1.00 4.78 C +ATOM 2072 CG2 VAL A 277 -4.475 5.551 -54.890 1.00 5.54 C +ATOM 2073 N TRP A 278 -7.099 5.537 -51.132 1.00 5.34 N +ATOM 2074 CA TRP A 278 -8.291 5.757 -50.311 1.00 4.34 C +ATOM 2075 C TRP A 278 -7.972 5.956 -48.842 1.00 3.45 C +ATOM 2076 O TRP A 278 -8.546 6.822 -48.183 1.00 2.90 O +ATOM 2077 CB TRP A 278 -9.360 4.643 -50.553 1.00 5.85 C +ATOM 2078 CG TRP A 278 -9.575 4.614 -52.057 1.00 6.15 C +ATOM 2079 CD1 TRP A 278 -9.172 3.649 -52.935 1.00 5.71 C +ATOM 2080 CD2 TRP A 278 -10.098 5.708 -52.808 1.00 6.39 C +ATOM 2081 NE1 TRP A 278 -9.456 4.061 -54.219 1.00 6.76 N +ATOM 2082 CE2 TRP A 278 -10.006 5.317 -54.184 1.00 7.42 C +ATOM 2083 CE3 TRP A 278 -10.656 6.936 -52.508 1.00 7.42 C +ATOM 2084 CZ2 TRP A 278 -10.461 6.141 -55.202 1.00 6.77 C +ATOM 2085 CZ3 TRP A 278 -11.115 7.759 -53.514 1.00 6.80 C +ATOM 2086 CH2 TRP A 278 -11.031 7.347 -54.832 1.00 6.63 C +ATOM 2087 N THR A 279 -7.035 5.147 -48.345 1.00 2.32 N +ATOM 2088 CA THR A 279 -6.576 5.260 -46.980 1.00 2.00 C +ATOM 2089 C THR A 279 -5.763 6.538 -46.865 1.00 2.00 C +ATOM 2090 O THR A 279 -5.866 7.085 -45.755 1.00 2.00 O +ATOM 2091 CB THR A 279 -5.822 4.025 -46.379 1.00 2.00 C +ATOM 2092 OG1 THR A 279 -4.582 3.812 -47.108 1.00 2.00 O +ATOM 2093 CG2 THR A 279 -6.724 2.790 -46.275 1.00 2.00 C +ATOM 2094 N THR A 280 -5.057 7.021 -47.859 1.00 2.00 N +ATOM 2095 CA THR A 280 -4.295 8.256 -47.732 1.00 2.00 C +ATOM 2096 C THR A 280 -5.212 9.477 -47.859 1.00 2.00 C +ATOM 2097 O THR A 280 -5.041 10.393 -47.050 1.00 2.00 O +ATOM 2098 CB THR A 280 -3.067 8.498 -48.680 1.00 2.00 C +ATOM 2099 OG1 THR A 280 -2.189 7.404 -48.461 1.00 2.00 O +ATOM 2100 CG2 THR A 280 -2.405 9.846 -48.368 1.00 2.00 C +ATOM 2101 N TYR A 281 -6.078 9.463 -48.819 1.00 2.00 N +ATOM 2102 CA TYR A 281 -7.067 10.535 -49.027 1.00 2.00 C +ATOM 2103 C TYR A 281 -7.836 10.741 -47.732 1.00 2.00 C +ATOM 2104 O TYR A 281 -7.948 11.877 -47.235 1.00 2.58 O +ATOM 2105 CB TYR A 281 -7.976 10.180 -50.241 1.00 2.00 C +ATOM 2106 CG TYR A 281 -8.770 11.337 -50.796 1.00 2.00 C +ATOM 2107 CD1 TYR A 281 -9.791 11.898 -50.010 1.00 2.44 C +ATOM 2108 CD2 TYR A 281 -8.518 11.898 -52.045 1.00 2.00 C +ATOM 2109 CE1 TYR A 281 -10.548 12.984 -50.403 1.00 3.20 C +ATOM 2110 CE2 TYR A 281 -9.248 13.012 -52.473 1.00 3.38 C +ATOM 2111 CZ TYR A 281 -10.277 13.531 -51.687 1.00 4.00 C +ATOM 2112 OH TYR A 281 -10.983 14.617 -52.103 1.00 3.60 O +ATOM 2113 N ALA A 282 -8.363 9.711 -47.119 1.00 2.00 N +ATOM 2114 CA ALA A 282 -9.148 9.676 -45.905 1.00 2.00 C +ATOM 2115 C ALA A 282 -8.367 10.187 -44.691 1.00 2.65 C +ATOM 2116 O ALA A 282 -8.961 10.719 -43.754 1.00 3.16 O +ATOM 2117 CB ALA A 282 -9.627 8.277 -45.558 1.00 2.00 C +ATOM 2118 N ALA A 283 -7.087 9.917 -44.726 1.00 3.09 N +ATOM 2119 CA ALA A 283 -6.126 10.350 -43.720 1.00 3.66 C +ATOM 2120 C ALA A 283 -6.022 11.884 -43.847 1.00 4.03 C +ATOM 2121 O ALA A 283 -5.986 12.601 -42.864 1.00 4.72 O +ATOM 2122 CB ALA A 283 -4.806 9.633 -43.939 1.00 4.72 C +ATOM 2123 N LEU A 284 -6.062 12.388 -45.061 1.00 4.05 N +ATOM 2124 CA LEU A 284 -5.986 13.822 -45.281 1.00 4.55 C +ATOM 2125 C LEU A 284 -7.266 14.482 -44.830 1.00 4.61 C +ATOM 2126 O LEU A 284 -7.222 15.611 -44.263 1.00 4.03 O +ATOM 2127 CB LEU A 284 -5.440 14.099 -46.715 1.00 4.87 C +ATOM 2128 CG LEU A 284 -3.904 14.354 -46.622 1.00 5.88 C +ATOM 2129 CD1 LEU A 284 -3.103 13.233 -47.223 1.00 5.63 C +ATOM 2130 CD2 LEU A 284 -3.501 15.696 -47.131 1.00 5.11 C +ATOM 2131 N GLN A 285 -8.375 13.779 -45.015 1.00 4.75 N +ATOM 2132 CA GLN A 285 -9.683 14.354 -44.633 1.00 5.05 C +ATOM 2133 C GLN A 285 -9.882 14.510 -43.142 1.00 5.67 C +ATOM 2134 O GLN A 285 -10.684 15.384 -42.702 1.00 6.33 O +ATOM 2135 CB GLN A 285 -10.843 13.531 -45.188 1.00 4.24 C +ATOM 2136 CG GLN A 285 -10.716 13.254 -46.691 1.00 4.57 C +ATOM 2137 CD GLN A 285 -12.100 12.757 -47.154 1.00 4.03 C +ATOM 2138 OE1 GLN A 285 -12.219 11.536 -47.212 1.00 4.82 O +ATOM 2139 NE2 GLN A 285 -13.017 13.658 -47.339 1.00 2.09 N +ATOM 2140 N SER A 286 -9.236 13.587 -42.413 1.00 5.43 N +ATOM 2141 CA SER A 286 -9.292 13.545 -40.956 1.00 4.79 C +ATOM 2142 C SER A 286 -8.395 14.631 -40.390 1.00 4.73 C +ATOM 2143 O SER A 286 -8.837 15.234 -39.407 1.00 4.96 O +ATOM 2144 CB SER A 286 -8.829 12.246 -40.343 1.00 5.09 C +ATOM 2145 OG SER A 286 -9.284 11.096 -40.991 1.00 5.12 O +ATOM 2146 N LEU A 287 -7.222 14.773 -40.956 1.00 5.38 N +ATOM 2147 CA LEU A 287 -6.309 15.824 -40.424 1.00 6.68 C +ATOM 2148 C LEU A 287 -6.943 17.215 -40.690 1.00 7.04 C +ATOM 2149 O LEU A 287 -6.744 18.110 -39.858 1.00 8.11 O +ATOM 2150 CB LEU A 287 -4.925 15.667 -41.060 1.00 7.10 C +ATOM 2151 CG LEU A 287 -3.964 16.839 -40.817 1.00 7.96 C +ATOM 2152 CD1 LEU A 287 -3.406 16.768 -39.384 1.00 9.18 C +ATOM 2153 CD2 LEU A 287 -2.824 16.803 -41.823 1.00 7.43 C +ATOM 2154 N GLN A 288 -7.645 17.371 -41.800 1.00 6.24 N +ATOM 2155 CA GLN A 288 -8.307 18.621 -42.147 1.00 6.44 C +ATOM 2156 C GLN A 288 -9.464 18.905 -41.164 1.00 6.64 C +ATOM 2157 O GLN A 288 -9.727 20.055 -40.817 1.00 6.83 O +ATOM 2158 CB GLN A 288 -8.873 18.599 -43.581 1.00 7.03 C +ATOM 2159 CG GLN A 288 -10.289 19.196 -43.639 1.00 7.41 C +ATOM 2160 CD GLN A 288 -10.931 19.103 -45.003 1.00 8.43 C +ATOM 2161 OE1 GLN A 288 -11.338 18.060 -45.570 1.00 8.90 O +ATOM 2162 NE2 GLN A 288 -10.983 20.282 -45.616 1.00 7.62 N +ATOM 2163 N ALA A 289 -10.185 17.868 -40.736 1.00 6.04 N +ATOM 2164 CA ALA A 289 -11.334 18.110 -39.858 1.00 4.93 C +ATOM 2165 C ALA A 289 -10.827 18.543 -38.505 1.00 5.32 C +ATOM 2166 O ALA A 289 -11.430 19.352 -37.788 1.00 4.77 O +ATOM 2167 CB ALA A 289 -12.239 16.903 -39.858 1.00 4.71 C +ATOM 2168 N GLY A 290 -9.679 17.939 -38.204 1.00 5.98 N +ATOM 2169 CA GLY A 290 -9.001 18.216 -36.921 1.00 6.73 C +ATOM 2170 C GLY A 290 -8.407 19.643 -36.932 1.00 7.36 C +ATOM 2171 O GLY A 290 -8.451 20.339 -35.903 1.00 6.98 O +ATOM 2172 N LEU A 291 -7.812 20.019 -38.065 1.00 7.46 N +ATOM 2173 CA LEU A 291 -7.190 21.332 -38.239 1.00 7.93 C +ATOM 2174 C LEU A 291 -8.179 22.497 -38.146 1.00 8.61 C +ATOM 2175 O LEU A 291 -7.765 23.590 -37.707 1.00 9.32 O +ATOM 2176 CB LEU A 291 -6.349 21.354 -39.499 1.00 5.79 C +ATOM 2177 CG LEU A 291 -4.977 20.793 -39.534 1.00 4.95 C +ATOM 2178 CD1 LEU A 291 -4.299 21.084 -40.875 1.00 5.51 C +ATOM 2179 CD2 LEU A 291 -4.152 21.403 -38.401 1.00 5.26 C +ATOM 2180 N ASN A 292 -9.380 22.341 -38.551 1.00 9.53 N +ATOM 2181 CA ASN A 292 -10.457 23.299 -38.528 1.00 11.51 C +ATOM 2182 C ASN A 292 -10.875 23.583 -37.083 1.00 12.09 C +ATOM 2183 O ASN A 292 -11.629 24.513 -36.805 1.00 13.58 O +ATOM 2184 CB ASN A 292 -11.725 22.774 -39.256 1.00 13.42 C +ATOM 2185 CG ASN A 292 -11.661 23.214 -40.702 1.00 15.41 C +ATOM 2186 OD1 ASN A 292 -12.542 22.908 -41.511 1.00 17.51 O +ATOM 2187 ND2 ASN A 292 -10.568 23.909 -41.037 1.00 16.19 N +ATOM 2188 N GLN A 293 -10.409 22.766 -36.238 1.00 12.60 N +ATOM 2189 CA GLN A 293 -10.640 22.674 -34.805 1.00 13.08 C +ATOM 2190 C GLN A 293 -9.539 23.271 -33.984 1.00 12.98 C +ATOM 2191 O GLN A 293 -9.691 24.122 -33.082 1.00 13.18 O +ATOM 2192 CB GLN A 293 -10.800 21.127 -34.654 1.00 15.03 C +ATOM 2193 CG GLN A 293 -12.327 20.864 -35.071 1.00 19.47 C +ATOM 2194 CD GLN A 293 -12.917 20.935 -33.648 1.00 22.20 C +ATOM 2195 OE1 GLN A 293 -13.220 22.007 -33.140 1.00 24.01 O +ATOM 2196 NE2 GLN A 293 -12.770 19.771 -32.989 1.00 23.26 N +ATOM 2197 N SER A 294 -8.327 22.816 -34.261 1.00 12.75 N +ATOM 2198 CA SER A 294 -7.115 23.263 -33.544 1.00 11.49 C +ATOM 2199 C SER A 294 -5.842 22.972 -34.307 1.00 11.45 C +ATOM 2200 O SER A 294 -5.775 22.064 -35.175 1.00 11.76 O +ATOM 2201 CB SER A 294 -7.139 22.475 -32.238 1.00 8.92 C +ATOM 2202 OG SER A 294 -5.815 22.376 -31.798 1.00 8.17 O +ATOM 2203 N ASP A 295 -4.806 23.711 -34.041 1.00 11.50 N +ATOM 2204 CA ASP A 295 -3.497 23.569 -34.643 1.00 11.76 C +ATOM 2205 C ASP A 295 -2.652 22.461 -33.961 1.00 10.53 C +ATOM 2206 O ASP A 295 -1.683 22.028 -34.562 1.00 10.61 O +ATOM 2207 CB ASP A 295 -2.640 24.811 -34.319 1.00 16.02 C +ATOM 2208 CG ASP A 295 -2.732 25.954 -35.267 1.00 19.87 C +ATOM 2209 OD1 ASP A 295 -3.338 25.883 -36.366 1.00 21.91 O +ATOM 2210 OD2 ASP A 295 -2.146 26.976 -34.793 1.00 21.90 O +ATOM 2211 N ASP A 296 -2.927 22.291 -32.700 1.00 8.98 N +ATOM 2212 CA ASP A 296 -2.233 21.411 -31.787 1.00 7.39 C +ATOM 2213 C ASP A 296 -2.437 19.934 -32.030 1.00 5.78 C +ATOM 2214 O ASP A 296 -3.533 19.423 -31.810 1.00 5.51 O +ATOM 2215 CB ASP A 296 -2.632 21.801 -30.353 1.00 10.02 C +ATOM 2216 CG ASP A 296 -1.719 21.191 -29.312 1.00 12.28 C +ATOM 2217 OD1 ASP A 296 -0.818 20.374 -29.567 1.00 13.71 O +ATOM 2218 OD2 ASP A 296 -1.958 21.560 -28.133 1.00 14.03 O +ATOM 2219 N PRO A 297 -1.340 19.260 -32.365 1.00 4.38 N +ATOM 2220 CA PRO A 297 -1.364 17.811 -32.585 1.00 3.88 C +ATOM 2221 C PRO A 297 -2.046 17.066 -31.486 1.00 4.31 C +ATOM 2222 O PRO A 297 -2.780 16.101 -31.764 1.00 5.58 O +ATOM 2223 CB PRO A 297 0.112 17.456 -32.700 1.00 3.36 C +ATOM 2224 CG PRO A 297 0.706 18.685 -33.313 1.00 3.21 C +ATOM 2225 CD PRO A 297 -0.004 19.806 -32.561 1.00 3.22 C +ATOM 2226 N ALA A 298 -1.870 17.435 -30.249 1.00 5.24 N +ATOM 2227 CA ALA A 298 -2.552 16.732 -29.104 1.00 5.52 C +ATOM 2228 C ALA A 298 -4.064 17.009 -29.093 1.00 5.68 C +ATOM 2229 O ALA A 298 -4.857 16.193 -28.618 1.00 5.54 O +ATOM 2230 CB ALA A 298 -1.970 17.236 -27.809 1.00 5.72 C +ATOM 2231 N GLU A 299 -4.415 18.166 -29.601 1.00 6.38 N +ATOM 2232 CA GLU A 299 -5.783 18.670 -29.671 1.00 7.34 C +ATOM 2233 C GLU A 299 -6.576 18.067 -30.804 1.00 7.61 C +ATOM 2234 O GLU A 299 -7.828 17.854 -30.688 1.00 9.37 O +ATOM 2235 CB GLU A 299 -5.767 20.204 -29.728 1.00 9.07 C +ATOM 2236 CG GLU A 299 -5.826 20.821 -28.283 1.00 11.81 C +ATOM 2237 CD GLU A 299 -7.150 20.410 -27.682 1.00 14.52 C +ATOM 2238 OE1 GLU A 299 -7.442 20.374 -26.514 1.00 15.38 O +ATOM 2239 OE2 GLU A 299 -8.004 20.062 -28.572 1.00 16.71 O +ATOM 2240 N ILE A 300 -5.894 17.740 -31.879 1.00 6.37 N +ATOM 2241 CA ILE A 300 -6.457 17.094 -33.070 1.00 4.77 C +ATOM 2242 C ILE A 300 -6.668 15.618 -32.712 1.00 4.19 C +ATOM 2243 O ILE A 300 -7.773 15.114 -32.897 1.00 4.02 O +ATOM 2244 CB ILE A 300 -5.491 17.222 -34.296 1.00 3.92 C +ATOM 2245 CG1 ILE A 300 -5.336 18.706 -34.712 1.00 4.22 C +ATOM 2246 CG2 ILE A 300 -5.858 16.278 -35.475 1.00 2.54 C +ATOM 2247 CD1 ILE A 300 -4.064 19.047 -35.626 1.00 3.54 C +ATOM 2248 N ALA A 301 -5.639 14.993 -32.180 1.00 4.48 N +ATOM 2249 CA ALA A 301 -5.703 13.552 -31.798 1.00 5.01 C +ATOM 2250 C ALA A 301 -6.919 13.268 -30.931 1.00 5.63 C +ATOM 2251 O ALA A 301 -7.601 12.224 -31.116 1.00 6.69 O +ATOM 2252 CB ALA A 301 -4.443 13.126 -31.070 1.00 4.36 C +ATOM 2253 N LYS A 302 -7.150 14.155 -30.006 1.00 5.76 N +ATOM 2254 CA LYS A 302 -8.219 14.198 -29.023 1.00 6.30 C +ATOM 2255 C LYS A 302 -9.555 14.425 -29.694 1.00 6.82 C +ATOM 2256 O LYS A 302 -10.512 13.666 -29.486 1.00 7.35 O +ATOM 2257 CB LYS A 302 -7.912 15.412 -28.110 1.00 8.43 C +ATOM 2258 CG LYS A 302 -7.984 15.100 -26.630 1.00 10.04 C +ATOM 2259 CD LYS A 302 -7.027 15.888 -25.820 1.00 11.90 C +ATOM 2260 CE LYS A 302 -5.862 15.142 -25.207 1.00 13.89 C +ATOM 2261 NZ LYS A 302 -5.053 16.179 -24.409 1.00 15.11 N +ATOM 2262 N TYR A 303 -9.651 15.504 -30.469 1.00 7.03 N +ATOM 2263 CA TYR A 303 -10.843 15.795 -31.255 1.00 7.17 C +ATOM 2264 C TYR A 303 -11.238 14.610 -32.122 1.00 7.02 C +ATOM 2265 O TYR A 303 -12.435 14.248 -32.180 1.00 8.08 O +ATOM 2266 CB TYR A 303 -10.664 17.087 -32.145 1.00 7.87 C +ATOM 2267 CG TYR A 303 -11.789 17.031 -33.186 1.00 7.88 C +ATOM 2268 CD1 TYR A 303 -11.589 16.292 -34.365 1.00 8.35 C +ATOM 2269 CD2 TYR A 303 -13.013 17.606 -32.966 1.00 8.21 C +ATOM 2270 CE1 TYR A 303 -12.582 16.179 -35.313 1.00 9.80 C +ATOM 2271 CE2 TYR A 303 -14.058 17.513 -33.903 1.00 9.52 C +ATOM 2272 CZ TYR A 303 -13.842 16.768 -35.047 1.00 11.06 C +ATOM 2273 OH TYR A 303 -14.867 16.605 -35.949 1.00 12.84 O +ATOM 2274 N LEU A 304 -10.337 13.942 -32.793 1.00 6.84 N +ATOM 2275 CA LEU A 304 -10.548 12.785 -33.683 1.00 6.52 C +ATOM 2276 C LEU A 304 -11.035 11.515 -32.989 1.00 6.30 C +ATOM 2277 O LEU A 304 -11.956 10.861 -33.452 1.00 5.75 O +ATOM 2278 CB LEU A 304 -9.188 12.473 -34.365 1.00 5.14 C +ATOM 2279 CG LEU A 304 -9.069 12.828 -35.834 1.00 6.58 C +ATOM 2280 CD1 LEU A 304 -10.002 13.971 -36.215 1.00 5.93 C +ATOM 2281 CD2 LEU A 304 -7.585 13.162 -36.123 1.00 6.44 C +ATOM 2282 N LYS A 305 -10.341 11.167 -31.937 1.00 6.45 N +ATOM 2283 CA LYS A 305 -10.576 10.059 -31.081 1.00 7.69 C +ATOM 2284 C LYS A 305 -11.912 10.123 -30.364 1.00 8.44 C +ATOM 2285 O LYS A 305 -12.291 9.108 -29.728 1.00 9.42 O +ATOM 2286 CB LYS A 305 -9.460 9.946 -29.994 1.00 8.23 C +ATOM 2287 CG LYS A 305 -8.195 9.300 -30.503 1.00 8.04 C +ATOM 2288 CD LYS A 305 -7.103 9.058 -29.532 1.00 8.02 C +ATOM 2289 CE LYS A 305 -5.791 8.647 -30.214 1.00 9.21 C +ATOM 2290 NZ LYS A 305 -4.682 8.647 -29.197 1.00 10.36 N +ATOM 2291 N ALA A 306 -12.674 11.188 -30.434 1.00 9.02 N +ATOM 2292 CA ALA A 306 -13.966 11.330 -29.728 1.00 8.43 C +ATOM 2293 C ALA A 306 -15.158 11.635 -30.607 1.00 7.97 C +ATOM 2294 O ALA A 306 -16.299 11.649 -30.156 1.00 7.01 O +ATOM 2295 CB ALA A 306 -13.822 12.544 -28.769 1.00 8.56 C +ATOM 2296 N ASN A 307 -14.831 11.962 -31.833 1.00 8.55 N +ATOM 2297 CA ASN A 307 -15.824 12.352 -32.862 1.00 8.99 C +ATOM 2298 C ASN A 307 -15.741 11.316 -33.972 1.00 9.63 C +ATOM 2299 O ASN A 307 -14.979 10.350 -33.764 1.00 10.73 O +ATOM 2300 CB ASN A 307 -15.577 13.779 -33.382 1.00 6.40 C +ATOM 2301 CG ASN A 307 -15.824 14.709 -32.180 1.00 5.63 C +ATOM 2302 OD1 ASN A 307 -17.029 14.851 -31.937 1.00 5.65 O +ATOM 2303 ND2 ASN A 307 -14.803 15.199 -31.509 1.00 2.00 N +ATOM 2304 N SER A 308 -16.454 11.578 -35.036 1.00 9.66 N +ATOM 2305 CA SER A 308 -16.498 10.649 -36.204 1.00 8.96 C +ATOM 2306 C SER A 308 -16.052 11.408 -37.418 1.00 8.01 C +ATOM 2307 O SER A 308 -16.391 12.608 -37.522 1.00 8.61 O +ATOM 2308 CB SER A 308 -17.938 10.159 -36.331 1.00 10.06 C +ATOM 2309 OG SER A 308 -18.257 9.917 -37.707 1.00 13.48 O +ATOM 2310 N VAL A 309 -15.346 10.840 -38.366 1.00 7.35 N +ATOM 2311 CA VAL A 309 -14.999 11.692 -39.534 1.00 6.07 C +ATOM 2312 C VAL A 309 -15.493 10.996 -40.783 1.00 6.56 C +ATOM 2313 O VAL A 309 -15.198 9.818 -41.072 1.00 7.27 O +ATOM 2314 CB VAL A 309 -13.539 12.082 -39.557 1.00 5.86 C +ATOM 2315 CG1 VAL A 309 -13.164 12.856 -40.817 1.00 4.47 C +ATOM 2316 CG2 VAL A 309 -13.212 12.799 -38.250 1.00 6.61 C +ATOM 2317 N ASP A 310 -16.255 11.763 -41.465 1.00 6.19 N +ATOM 2318 CA ASP A 310 -16.865 11.479 -42.748 1.00 6.72 C +ATOM 2319 C ASP A 310 -15.840 11.529 -43.870 1.00 5.56 C +ATOM 2320 O ASP A 310 -15.501 12.636 -44.275 1.00 4.78 O +ATOM 2321 CB ASP A 310 -17.854 12.665 -42.922 1.00 10.71 C +ATOM 2322 CG ASP A 310 -19.230 12.012 -43.026 1.00 13.25 C +ATOM 2323 OD1 ASP A 310 -19.968 12.295 -42.101 1.00 14.99 O +ATOM 2324 OD2 ASP A 310 -19.294 11.209 -43.997 1.00 15.64 O +ATOM 2325 N THR A 311 -15.374 10.436 -44.333 1.00 5.43 N +ATOM 2326 CA THR A 311 -14.349 10.315 -45.385 1.00 5.58 C +ATOM 2327 C THR A 311 -14.839 9.541 -46.576 1.00 6.01 C +ATOM 2328 O THR A 311 -15.968 8.987 -46.622 1.00 5.45 O +ATOM 2329 CB THR A 311 -13.125 9.569 -44.691 1.00 6.12 C +ATOM 2330 OG1 THR A 311 -13.432 9.676 -43.234 1.00 7.68 O +ATOM 2331 CG2 THR A 311 -11.781 10.301 -44.853 1.00 6.83 C +ATOM 2332 N VAL A 312 -13.934 9.449 -47.524 1.00 5.99 N +ATOM 2333 CA VAL A 312 -14.054 8.774 -48.819 1.00 6.31 C +ATOM 2334 C VAL A 312 -14.161 7.262 -48.703 1.00 7.76 C +ATOM 2335 O VAL A 312 -14.536 6.488 -49.628 1.00 8.73 O +ATOM 2336 CB VAL A 312 -12.794 9.328 -49.524 1.00 6.09 C +ATOM 2337 CG1 VAL A 312 -11.629 8.356 -49.524 1.00 5.15 C +ATOM 2338 CG2 VAL A 312 -13.125 10.031 -50.785 1.00 5.88 C +ATOM 2339 N MET A 313 -13.858 6.751 -47.535 1.00 8.18 N +ATOM 2340 CA MET A 313 -13.818 5.438 -46.980 1.00 8.07 C +ATOM 2341 C MET A 313 -15.047 5.168 -46.079 1.00 7.74 C +ATOM 2342 O MET A 313 -15.075 4.061 -45.524 1.00 7.76 O +ATOM 2343 CB MET A 313 -12.594 5.246 -46.067 1.00 9.71 C +ATOM 2344 CG MET A 313 -11.290 4.984 -46.761 1.00 12.67 C +ATOM 2345 SD MET A 313 -10.126 4.231 -45.535 1.00 16.21 S +ATOM 2346 CE MET A 313 -10.540 2.499 -45.697 1.00 14.40 C +ATOM 2347 N GLY A 314 -15.924 6.112 -45.882 1.00 7.31 N +ATOM 2348 CA GLY A 314 -17.085 5.949 -44.957 1.00 7.12 C +ATOM 2349 C GLY A 314 -16.817 6.829 -43.720 1.00 7.40 C +ATOM 2350 O GLY A 314 -15.745 7.461 -43.604 1.00 6.98 O +ATOM 2351 N PRO A 315 -17.798 6.858 -42.829 1.00 7.60 N +ATOM 2352 CA PRO A 315 -17.679 7.617 -41.546 1.00 7.21 C +ATOM 2353 C PRO A 315 -16.586 6.900 -40.748 1.00 7.04 C +ATOM 2354 O PRO A 315 -16.646 5.665 -40.690 1.00 6.98 O +ATOM 2355 CB PRO A 315 -19.035 7.511 -40.898 1.00 7.06 C +ATOM 2356 CG PRO A 315 -19.832 6.545 -41.696 1.00 7.71 C +ATOM 2357 CD PRO A 315 -19.063 6.112 -42.922 1.00 7.52 C +ATOM 2358 N LEU A 316 -15.601 7.582 -40.193 1.00 6.94 N +ATOM 2359 CA LEU A 316 -14.504 6.907 -39.488 1.00 7.02 C +ATOM 2360 C LEU A 316 -14.536 7.312 -38.019 1.00 7.23 C +ATOM 2361 O LEU A 316 -14.768 8.490 -37.730 1.00 8.45 O +ATOM 2362 CB LEU A 316 -13.136 7.248 -40.077 1.00 7.18 C +ATOM 2363 CG LEU A 316 -12.534 6.900 -41.407 1.00 6.19 C +ATOM 2364 CD1 LEU A 316 -11.115 7.454 -41.511 1.00 4.33 C +ATOM 2365 CD2 LEU A 316 -12.498 5.374 -41.627 1.00 5.30 C +ATOM 2366 N THR A 317 -14.157 6.368 -37.198 1.00 6.93 N +ATOM 2367 CA THR A 317 -14.125 6.496 -35.753 1.00 6.95 C +ATOM 2368 C THR A 317 -12.929 5.779 -35.175 1.00 6.77 C +ATOM 2369 O THR A 317 -12.770 4.629 -35.614 1.00 7.53 O +ATOM 2370 CB THR A 317 -15.477 5.729 -35.337 1.00 7.14 C +ATOM 2371 OG1 THR A 317 -16.486 6.780 -35.117 1.00 7.39 O +ATOM 2372 CG2 THR A 317 -15.326 4.799 -34.157 1.00 7.83 C +ATOM 2373 N TRP A 318 -12.195 6.311 -34.238 1.00 6.81 N +ATOM 2374 CA TRP A 318 -11.051 5.665 -33.579 1.00 6.45 C +ATOM 2375 C TRP A 318 -11.290 5.331 -32.087 1.00 6.94 C +ATOM 2376 O TRP A 318 -12.088 5.992 -31.382 1.00 6.13 O +ATOM 2377 CB TRP A 318 -9.838 6.673 -33.591 1.00 4.04 C +ATOM 2378 CG TRP A 318 -9.312 6.780 -34.955 1.00 3.74 C +ATOM 2379 CD1 TRP A 318 -8.347 6.034 -35.556 1.00 2.87 C +ATOM 2380 CD2 TRP A 318 -9.791 7.674 -35.984 1.00 4.29 C +ATOM 2381 NE1 TRP A 318 -8.155 6.432 -36.840 1.00 2.39 N +ATOM 2382 CE2 TRP A 318 -9.013 7.418 -37.140 1.00 4.03 C +ATOM 2383 CE3 TRP A 318 -10.800 8.647 -36.019 1.00 3.71 C +ATOM 2384 CZ2 TRP A 318 -9.232 8.107 -38.354 1.00 4.72 C +ATOM 2385 CZ3 TRP A 318 -10.991 9.321 -37.210 1.00 3.77 C +ATOM 2386 CH2 TRP A 318 -10.241 9.051 -38.366 1.00 3.52 C +ATOM 2387 N ASP A 319 -10.536 4.345 -31.625 1.00 7.34 N +ATOM 2388 CA ASP A 319 -10.465 3.919 -30.214 1.00 8.52 C +ATOM 2389 C ASP A 319 -9.368 4.842 -29.648 1.00 10.16 C +ATOM 2390 O ASP A 319 -8.790 5.665 -30.411 1.00 10.15 O +ATOM 2391 CB ASP A 319 -10.209 2.470 -29.937 1.00 7.12 C +ATOM 2392 CG ASP A 319 -8.961 1.796 -30.469 1.00 6.15 C +ATOM 2393 OD1 ASP A 319 -8.841 0.525 -30.388 1.00 5.38 O +ATOM 2394 OD2 ASP A 319 -8.068 2.492 -30.977 1.00 4.05 O +ATOM 2395 N GLU A 320 -9.053 4.678 -28.387 1.00 12.56 N +ATOM 2396 CA GLU A 320 -8.108 5.523 -27.612 1.00 14.12 C +ATOM 2397 C GLU A 320 -6.628 5.296 -27.844 1.00 14.19 C +ATOM 2398 O GLU A 320 -5.687 5.992 -27.358 1.00 14.92 O +ATOM 2399 CB GLU A 320 -8.387 5.189 -26.132 1.00 17.03 C +ATOM 2400 CG GLU A 320 -9.687 4.536 -25.785 1.00 22.39 C +ATOM 2401 CD GLU A 320 -10.118 3.138 -26.051 1.00 25.45 C +ATOM 2402 OE1 GLU A 320 -9.499 2.080 -25.843 1.00 26.80 O +ATOM 2403 OE2 GLU A 320 -11.322 3.067 -26.502 1.00 26.83 O +ATOM 2404 N LYS A 321 -6.357 4.259 -28.572 1.00 13.27 N +ATOM 2405 CA LYS A 321 -5.073 3.684 -28.965 1.00 12.12 C +ATOM 2406 C LYS A 321 -4.786 4.196 -30.364 1.00 11.01 C +ATOM 2407 O LYS A 321 -3.661 4.132 -30.827 1.00 10.98 O +ATOM 2408 CB LYS A 321 -5.316 2.179 -28.954 1.00 13.21 C +ATOM 2409 CG LYS A 321 -4.263 1.235 -29.347 1.00 15.38 C +ATOM 2410 CD LYS A 321 -4.351 -0.185 -28.780 1.00 16.71 C +ATOM 2411 CE LYS A 321 -5.683 -0.873 -28.792 1.00 16.75 C +ATOM 2412 NZ LYS A 321 -6.229 -1.001 -30.168 1.00 17.06 N +ATOM 2413 N GLY A 322 -5.854 4.685 -31.012 1.00 10.23 N +ATOM 2414 CA GLY A 322 -5.858 5.232 -32.353 1.00 8.66 C +ATOM 2415 C GLY A 322 -6.066 4.259 -33.498 1.00 7.54 C +ATOM 2416 O GLY A 322 -5.611 4.522 -34.620 1.00 7.51 O +ATOM 2417 N ASP A 323 -6.724 3.145 -33.278 1.00 6.91 N +ATOM 2418 CA ASP A 323 -7.071 2.066 -34.203 1.00 5.98 C +ATOM 2419 C ASP A 323 -8.498 2.321 -34.747 1.00 5.16 C +ATOM 2420 O ASP A 323 -9.308 2.889 -34.007 1.00 5.30 O +ATOM 2421 CB ASP A 323 -6.903 0.674 -33.556 1.00 4.56 C +ATOM 2422 CG ASP A 323 -5.476 0.256 -33.463 1.00 4.76 C +ATOM 2423 OD1 ASP A 323 -4.630 0.873 -34.157 1.00 5.59 O +ATOM 2424 OD2 ASP A 323 -5.141 -0.682 -32.723 1.00 3.89 O +ATOM 2425 N LEU A 324 -8.821 1.974 -35.961 1.00 4.68 N +ATOM 2426 CA LEU A 324 -10.181 2.250 -36.481 1.00 4.57 C +ATOM 2427 C LEU A 324 -11.103 1.356 -35.649 1.00 5.25 C +ATOM 2428 O LEU A 324 -10.672 0.270 -35.267 1.00 5.70 O +ATOM 2429 CB LEU A 324 -10.329 2.030 -37.950 1.00 2.33 C +ATOM 2430 CG LEU A 324 -9.643 3.003 -38.886 1.00 2.17 C +ATOM 2431 CD1 LEU A 324 -9.854 2.421 -40.262 1.00 2.00 C +ATOM 2432 CD2 LEU A 324 -10.221 4.416 -38.805 1.00 2.00 C +ATOM 2433 N LYS A 325 -12.251 1.903 -35.406 1.00 5.97 N +ATOM 2434 CA LYS A 325 -13.300 1.249 -34.608 1.00 6.61 C +ATOM 2435 C LYS A 325 -14.337 0.632 -35.556 1.00 6.72 C +ATOM 2436 O LYS A 325 -14.624 1.342 -36.539 1.00 6.98 O +ATOM 2437 CB LYS A 325 -14.090 2.343 -33.880 1.00 7.83 C +ATOM 2438 CG LYS A 325 -13.902 2.513 -32.376 1.00 9.04 C +ATOM 2439 CD LYS A 325 -15.270 2.996 -31.821 1.00 10.56 C +ATOM 2440 CE LYS A 325 -15.122 3.571 -30.422 1.00 11.02 C +ATOM 2441 NZ LYS A 325 -14.544 4.941 -30.526 1.00 10.47 N +ATOM 2442 N GLY A 326 -14.915 -0.476 -35.209 1.00 6.80 N +ATOM 2443 CA GLY A 326 -15.964 -1.157 -35.961 1.00 7.87 C +ATOM 2444 C GLY A 326 -15.669 -1.249 -37.464 1.00 8.52 C +ATOM 2445 O GLY A 326 -16.618 -1.235 -38.250 1.00 8.78 O +ATOM 2446 N PHE A 327 -14.401 -1.320 -37.823 1.00 9.10 N +ATOM 2447 CA PHE A 327 -13.878 -1.413 -39.175 1.00 9.36 C +ATOM 2448 C PHE A 327 -14.237 -2.783 -39.777 1.00 10.09 C +ATOM 2449 O PHE A 327 -14.165 -3.848 -39.152 1.00 10.80 O +ATOM 2450 CB PHE A 327 -12.367 -1.178 -39.349 1.00 7.69 C +ATOM 2451 CG PHE A 327 -11.900 -1.029 -40.760 1.00 6.82 C +ATOM 2452 CD1 PHE A 327 -11.210 -2.087 -41.396 1.00 7.24 C +ATOM 2453 CD2 PHE A 327 -12.183 0.121 -41.476 1.00 6.51 C +ATOM 2454 CE1 PHE A 327 -10.792 -2.009 -42.725 1.00 6.19 C +ATOM 2455 CE2 PHE A 327 -11.749 0.256 -42.818 1.00 7.37 C +ATOM 2456 CZ PHE A 327 -11.055 -0.845 -43.419 1.00 7.14 C +ATOM 2457 N GLU A 328 -14.572 -2.662 -41.060 1.00 10.49 N +ATOM 2458 CA GLU A 328 -14.951 -3.762 -41.893 1.00 10.67 C +ATOM 2459 C GLU A 328 -14.393 -3.841 -43.303 1.00 9.37 C +ATOM 2460 O GLU A 328 -14.488 -2.953 -44.136 1.00 9.19 O +ATOM 2461 CB GLU A 328 -16.443 -3.706 -42.240 1.00 13.13 C +ATOM 2462 CG GLU A 328 -17.527 -3.862 -41.245 1.00 16.80 C +ATOM 2463 CD GLU A 328 -18.891 -3.386 -41.742 1.00 18.85 C +ATOM 2464 OE1 GLU A 328 -19.860 -3.521 -40.991 1.00 20.86 O +ATOM 2465 OE2 GLU A 328 -18.867 -2.896 -42.899 1.00 19.10 O +ATOM 2466 N PHE A 329 -13.994 -5.062 -43.558 1.00 8.89 N +ATOM 2467 CA PHE A 329 -13.539 -5.459 -44.899 1.00 8.11 C +ATOM 2468 C PHE A 329 -14.815 -5.807 -45.709 1.00 7.60 C +ATOM 2469 O PHE A 329 -15.980 -5.906 -45.223 1.00 6.79 O +ATOM 2470 CB PHE A 329 -12.562 -6.602 -44.760 1.00 8.52 C +ATOM 2471 CG PHE A 329 -11.222 -6.268 -44.171 1.00 8.43 C +ATOM 2472 CD1 PHE A 329 -10.118 -6.134 -45.026 1.00 8.13 C +ATOM 2473 CD2 PHE A 329 -11.075 -6.063 -42.795 1.00 8.13 C +ATOM 2474 CE1 PHE A 329 -8.857 -5.842 -44.506 1.00 7.74 C +ATOM 2475 CE2 PHE A 329 -9.810 -5.800 -42.263 1.00 7.43 C +ATOM 2476 CZ PHE A 329 -8.706 -5.686 -43.142 1.00 6.93 C +ATOM 2477 N GLY A 330 -14.552 -5.949 -47.004 1.00 6.49 N +ATOM 2478 CA GLY A 330 -15.589 -6.311 -47.963 1.00 5.47 C +ATOM 2479 C GLY A 330 -15.426 -7.802 -48.218 1.00 5.12 C +ATOM 2480 O GLY A 330 -14.341 -8.377 -48.044 1.00 6.07 O +ATOM 2481 N VAL A 331 -16.474 -8.412 -48.646 1.00 4.57 N +ATOM 2482 CA VAL A 331 -16.574 -9.797 -49.039 1.00 4.17 C +ATOM 2483 C VAL A 331 -16.714 -9.775 -50.565 1.00 4.46 C +ATOM 2484 O VAL A 331 -17.551 -8.987 -51.016 1.00 4.60 O +ATOM 2485 CB VAL A 331 -17.759 -10.464 -48.333 1.00 4.50 C +ATOM 2486 CG1 VAL A 331 -17.775 -11.933 -48.703 1.00 4.09 C +ATOM 2487 CG2 VAL A 331 -17.607 -10.215 -46.830 1.00 5.22 C +ATOM 2488 N PHE A 332 -15.932 -10.606 -51.224 1.00 4.75 N +ATOM 2489 CA PHE A 332 -15.840 -10.727 -52.658 1.00 4.64 C +ATOM 2490 C PHE A 332 -16.052 -12.182 -52.993 1.00 5.47 C +ATOM 2491 O PHE A 332 -15.681 -13.069 -52.253 1.00 6.08 O +ATOM 2492 CB PHE A 332 -14.516 -10.159 -53.224 1.00 5.06 C +ATOM 2493 CG PHE A 332 -14.361 -8.675 -53.005 1.00 5.62 C +ATOM 2494 CD1 PHE A 332 -13.950 -8.185 -51.779 1.00 6.49 C +ATOM 2495 CD2 PHE A 332 -14.652 -7.759 -54.022 1.00 6.09 C +ATOM 2496 CE1 PHE A 332 -13.802 -6.801 -51.548 1.00 7.92 C +ATOM 2497 CE2 PHE A 332 -14.544 -6.382 -53.837 1.00 5.64 C +ATOM 2498 CZ PHE A 332 -14.114 -5.906 -52.589 1.00 6.50 C +ATOM 2499 N ASP A 333 -16.686 -12.430 -54.115 1.00 6.01 N +ATOM 2500 CA ASP A 333 -16.965 -13.715 -54.728 1.00 4.39 C +ATOM 2501 C ASP A 333 -15.804 -13.864 -55.711 1.00 3.98 C +ATOM 2502 O ASP A 333 -15.717 -13.069 -56.670 1.00 2.14 O +ATOM 2503 CB ASP A 333 -18.329 -13.779 -55.352 1.00 5.79 C +ATOM 2504 CG ASP A 333 -18.548 -15.107 -56.069 1.00 7.76 C +ATOM 2505 OD1 ASP A 333 -18.321 -15.185 -57.283 1.00 8.67 O +ATOM 2506 OD2 ASP A 333 -18.971 -16.065 -55.352 1.00 9.18 O +ATOM 2507 N TRP A 334 -14.959 -14.837 -55.456 1.00 3.67 N +ATOM 2508 CA TRP A 334 -13.798 -14.993 -56.358 1.00 4.28 C +ATOM 2509 C TRP A 334 -14.122 -15.724 -57.642 1.00 4.66 C +ATOM 2510 O TRP A 334 -15.075 -16.519 -57.665 1.00 4.78 O +ATOM 2511 CB TRP A 334 -12.762 -15.724 -55.537 1.00 4.19 C +ATOM 2512 CG TRP A 334 -11.430 -15.767 -56.173 1.00 3.67 C +ATOM 2513 CD1 TRP A 334 -10.871 -16.725 -56.959 1.00 3.49 C +ATOM 2514 CD2 TRP A 334 -10.449 -14.723 -56.034 1.00 4.03 C +ATOM 2515 NE1 TRP A 334 -9.571 -16.392 -57.306 1.00 4.29 N +ATOM 2516 CE2 TRP A 334 -9.296 -15.171 -56.728 1.00 4.95 C +ATOM 2517 CE3 TRP A 334 -10.433 -13.524 -55.364 1.00 3.93 C +ATOM 2518 CZ2 TRP A 334 -8.159 -14.383 -56.786 1.00 4.53 C +ATOM 2519 CZ3 TRP A 334 -9.300 -12.778 -55.375 1.00 3.42 C +ATOM 2520 CH2 TRP A 334 -8.207 -13.183 -56.092 1.00 4.89 C +ATOM 2521 N HIS A 335 -13.308 -15.533 -58.659 1.00 5.63 N +ATOM 2522 CA HIS A 335 -13.567 -16.243 -59.919 1.00 6.88 C +ATOM 2523 C HIS A 335 -12.447 -17.123 -60.428 1.00 7.74 C +ATOM 2524 O HIS A 335 -11.254 -16.938 -60.185 1.00 7.09 O +ATOM 2525 CB HIS A 335 -13.862 -15.199 -61.053 1.00 7.93 C +ATOM 2526 CG HIS A 335 -15.230 -14.631 -60.879 1.00 9.33 C +ATOM 2527 ND1 HIS A 335 -15.501 -13.296 -60.752 1.00 10.25 N +ATOM 2528 CD2 HIS A 335 -16.427 -15.263 -60.798 1.00 9.37 C +ATOM 2529 CE1 HIS A 335 -16.809 -13.119 -60.636 1.00 9.50 C +ATOM 2530 NE2 HIS A 335 -17.372 -14.283 -60.648 1.00 9.87 N +ATOM 2531 N ALA A 336 -12.885 -18.046 -61.307 1.00 8.81 N +ATOM 2532 CA ALA A 336 -11.944 -18.961 -61.966 1.00 9.82 C +ATOM 2533 C ALA A 336 -10.811 -18.244 -62.671 1.00 10.50 C +ATOM 2534 O ALA A 336 -9.711 -18.862 -62.799 1.00 11.67 O +ATOM 2535 CB ALA A 336 -12.658 -19.941 -62.891 1.00 9.80 C +ATOM 2536 N ASN A 337 -10.947 -17.002 -63.099 1.00 10.67 N +ATOM 2537 CA ASN A 337 -9.830 -16.306 -63.758 1.00 10.44 C +ATOM 2538 C ASN A 337 -9.129 -15.298 -62.856 1.00 10.71 C +ATOM 2539 O ASN A 337 -8.490 -14.368 -63.446 1.00 11.45 O +ATOM 2540 CB ASN A 337 -10.341 -15.632 -65.042 1.00 10.76 C +ATOM 2541 CG ASN A 337 -11.497 -14.709 -64.614 1.00 10.54 C +ATOM 2542 OD1 ASN A 337 -11.298 -13.616 -64.105 1.00 10.93 O +ATOM 2543 ND2 ASN A 337 -12.682 -15.291 -64.695 1.00 11.11 N +ATOM 2544 N GLY A 338 -9.168 -15.341 -61.561 1.00 10.40 N +ATOM 2545 CA GLY A 338 -8.395 -14.390 -60.740 1.00 10.98 C +ATOM 2546 C GLY A 338 -9.029 -13.034 -60.544 1.00 11.16 C +ATOM 2547 O GLY A 338 -8.463 -12.019 -60.081 1.00 11.78 O +ATOM 2548 N THR A 339 -10.253 -12.977 -60.879 1.00 11.34 N +ATOM 2549 CA THR A 339 -11.170 -11.855 -60.821 1.00 11.66 C +ATOM 2550 C THR A 339 -12.108 -12.153 -59.654 1.00 12.12 C +ATOM 2551 O THR A 339 -12.363 -13.360 -59.353 1.00 12.15 O +ATOM 2552 CB THR A 339 -11.900 -11.799 -62.232 1.00 12.64 C +ATOM 2553 OG1 THR A 339 -11.099 -10.883 -63.088 1.00 12.66 O +ATOM 2554 CG2 THR A 339 -13.376 -11.472 -62.151 1.00 12.32 C +ATOM 2555 N ALA A 340 -12.574 -11.074 -59.052 1.00 11.68 N +ATOM 2556 CA ALA A 340 -13.499 -11.181 -57.908 1.00 11.78 C +ATOM 2557 C ALA A 340 -14.504 -10.045 -58.012 1.00 11.63 C +ATOM 2558 O ALA A 340 -14.062 -8.966 -58.451 1.00 12.53 O +ATOM 2559 CB ALA A 340 -12.526 -11.046 -56.728 1.00 12.46 C +ATOM 2560 N THR A 341 -15.737 -10.194 -57.665 1.00 11.04 N +ATOM 2561 CA THR A 341 -16.909 -9.356 -57.630 1.00 10.31 C +ATOM 2562 C THR A 341 -17.404 -9.122 -56.185 1.00 10.86 C +ATOM 2563 O THR A 341 -17.240 -9.953 -55.294 1.00 10.33 O +ATOM 2564 CB THR A 341 -18.110 -10.152 -58.335 1.00 9.71 C +ATOM 2565 OG1 THR A 341 -17.639 -10.450 -59.654 1.00 9.99 O +ATOM 2566 CG2 THR A 341 -19.453 -9.435 -58.428 1.00 9.87 C +ATOM 2567 N ASP A 342 -18.078 -8.029 -55.965 1.00 12.03 N +ATOM 2568 CA ASP A 342 -18.688 -7.702 -54.658 1.00 13.31 C +ATOM 2569 C ASP A 342 -19.665 -8.860 -54.369 1.00 13.14 C +ATOM 2570 O ASP A 342 -20.431 -9.222 -55.294 1.00 13.71 O +ATOM 2571 CB ASP A 342 -19.473 -6.382 -54.785 1.00 16.78 C +ATOM 2572 CG ASP A 342 -18.584 -5.260 -55.283 1.00 19.92 C +ATOM 2573 OD1 ASP A 342 -17.890 -4.643 -54.427 1.00 22.09 O +ATOM 2574 OD2 ASP A 342 -18.568 -5.069 -56.532 1.00 20.20 O +ATOM 2575 N ALA A 343 -19.633 -9.399 -53.178 1.00 12.49 N +ATOM 2576 CA ALA A 343 -20.610 -10.485 -52.854 1.00 12.11 C +ATOM 2577 C ALA A 343 -21.866 -9.740 -52.415 1.00 12.41 C +ATOM 2578 O ALA A 343 -21.842 -8.519 -52.080 1.00 11.82 O +ATOM 2579 CB ALA A 343 -20.040 -11.493 -51.895 1.00 10.33 C +ATOM 2580 N LYS A 344 -22.975 -10.443 -52.461 1.00 13.51 N +ATOM 2581 CA LYS A 344 -24.279 -9.853 -52.057 1.00 13.99 C +ATOM 2582 C LYS A 344 -24.187 -9.534 -50.553 1.00 14.62 C +ATOM 2583 O LYS A 344 -24.929 -8.576 -50.253 1.00 15.41 O +ATOM 2584 CB LYS A 344 -25.408 -10.890 -52.114 1.00 13.28 C +ATOM 2585 CG LYS A 344 -24.853 -12.182 -51.513 1.00 14.02 C +ATOM 2586 CD LYS A 344 -25.806 -12.778 -50.484 1.00 14.22 C +ATOM 2587 CE LYS A 344 -26.476 -13.957 -51.201 1.00 14.75 C +ATOM 2588 NZ LYS A 344 -27.174 -14.780 -50.183 1.00 15.74 N +ATOM 2589 OXT LYS A 344 -23.473 -10.286 -49.860 1.00 14.67 O +TER 2590 LYS A 344 +END diff --git a/bench/main_benchmark/structures/SFB_AL_LIVBP_2LIVA_1Z15A/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_LIVBP_2LIVA_1Z15A/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dce1bbffdc011f0783a356b1baaed06defc84e16 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_LIVBP_2LIVA_1Z15A/state_b.pdb @@ -0,0 +1,2593 @@ +ATOM 1 N GLU A 1 17.149 22.250 -11.396 1.00 37.88 N +ATOM 2 CA GLU A 1 18.541 22.748 -11.157 1.00 38.21 C +ATOM 3 C GLU A 1 18.785 22.556 -9.678 1.00 34.16 C +ATOM 4 O GLU A 1 18.049 23.100 -8.867 1.00 34.37 O +ATOM 5 CB GLU A 1 18.628 24.222 -11.555 1.00 42.14 C +ATOM 6 CG GLU A 1 19.521 25.093 -10.708 1.00 47.63 C +ATOM 7 CD GLU A 1 18.704 26.150 -9.978 1.00 51.56 C +ATOM 8 OE1 GLU A 1 18.654 27.300 -10.481 1.00 53.14 O +ATOM 9 OE2 GLU A 1 18.093 25.824 -8.921 1.00 51.93 O +ATOM 10 N ASP A 2 19.805 21.778 -9.343 1.00 30.81 N +ATOM 11 CA ASP A 2 20.104 21.447 -7.948 1.00 28.87 C +ATOM 12 C ASP A 2 20.464 22.560 -6.967 1.00 25.50 C +ATOM 13 O ASP A 2 21.245 23.453 -7.272 1.00 23.59 O +ATOM 14 CB ASP A 2 21.177 20.360 -7.884 1.00 32.26 C +ATOM 15 CG ASP A 2 20.678 19.012 -8.389 1.00 38.12 C +ATOM 16 OD1 ASP A 2 21.329 17.973 -8.100 1.00 42.98 O +ATOM 17 OD2 ASP A 2 19.620 18.972 -9.056 1.00 39.47 O +ATOM 18 N ILE A 3 19.871 22.494 -5.780 1.00 20.78 N +ATOM 19 CA ILE A 3 20.173 23.455 -4.717 1.00 20.01 C +ATOM 20 C ILE A 3 21.071 22.667 -3.767 1.00 16.63 C +ATOM 21 O ILE A 3 20.670 21.603 -3.274 1.00 16.22 O +ATOM 22 CB ILE A 3 18.909 23.909 -3.954 1.00 20.18 C +ATOM 23 CG1 ILE A 3 17.881 24.493 -4.946 1.00 20.54 C +ATOM 24 CG2 ILE A 3 19.292 24.962 -2.913 1.00 19.92 C +ATOM 25 CD1 ILE A 3 16.544 24.830 -4.333 1.00 24.89 C +ATOM 26 N LYS A 4 22.308 23.120 -3.607 1.00 13.99 N +ATOM 27 CA LYS A 4 23.253 22.420 -2.744 1.00 15.00 C +ATOM 28 C LYS A 4 23.101 22.817 -1.297 1.00 12.95 C +ATOM 29 O LYS A 4 23.001 24.000 -0.982 1.00 13.78 O +ATOM 30 CB LYS A 4 24.692 22.714 -3.150 1.00 18.07 C +ATOM 31 CG LYS A 4 24.993 22.457 -4.595 1.00 23.18 C +ATOM 32 CD LYS A 4 25.864 21.250 -4.795 1.00 29.45 C +ATOM 33 CE LYS A 4 27.304 21.673 -5.075 1.00 31.76 C +ATOM 34 NZ LYS A 4 27.328 22.864 -5.961 1.00 35.15 N +ATOM 35 N VAL A 5 23.151 21.808 -0.435 1.00 14.09 N +ATOM 36 CA VAL A 5 23.078 22.008 1.008 1.00 14.33 C +ATOM 37 C VAL A 5 24.249 21.259 1.652 1.00 10.78 C +ATOM 38 O VAL A 5 24.466 20.085 1.398 1.00 11.85 O +ATOM 39 CB VAL A 5 21.770 21.473 1.607 1.00 16.17 C +ATOM 40 CG1 VAL A 5 21.644 21.950 3.049 1.00 16.30 C +ATOM 41 CG2 VAL A 5 20.578 21.923 0.764 1.00 16.26 C +ATOM 42 N ALA A 6 25.021 21.956 2.467 1.00 11.86 N +ATOM 43 CA ALA A 6 26.154 21.331 3.131 1.00 10.91 C +ATOM 44 C ALA A 6 25.625 20.728 4.441 1.00 12.70 C +ATOM 45 O ALA A 6 24.840 21.375 5.135 1.00 14.78 O +ATOM 46 CB ALA A 6 27.193 22.376 3.432 1.00 9.42 C +ATOM 47 N VAL A 7 25.954 19.477 4.722 1.00 14.22 N +ATOM 48 CA VAL A 7 25.556 18.855 5.985 1.00 12.99 C +ATOM 49 C VAL A 7 26.927 18.588 6.635 1.00 14.24 C +ATOM 50 O VAL A 7 27.782 17.880 6.075 1.00 13.61 O +ATOM 51 CB VAL A 7 24.677 17.594 5.770 1.00 14.66 C +ATOM 52 CG1 VAL A 7 24.303 16.928 7.096 1.00 13.11 C +ATOM 53 CG2 VAL A 7 23.390 17.983 5.071 1.00 14.86 C +ATOM 54 N VAL A 8 27.172 19.220 7.779 1.00 14.13 N +ATOM 55 CA VAL A 8 28.473 19.117 8.467 1.00 14.07 C +ATOM 56 C VAL A 8 28.312 18.464 9.845 1.00 13.39 C +ATOM 57 O VAL A 8 27.453 18.870 10.622 1.00 13.49 O +ATOM 58 CB VAL A 8 29.103 20.539 8.676 1.00 13.63 C +ATOM 59 CG1 VAL A 8 30.519 20.429 9.253 1.00 9.93 C +ATOM 60 CG2 VAL A 8 29.120 21.315 7.334 1.00 13.63 C +ATOM 61 N GLY A 9 29.174 17.501 10.142 1.00 14.16 N +ATOM 62 CA GLY A 9 29.120 16.796 11.402 1.00 16.16 C +ATOM 63 C GLY A 9 30.345 15.933 11.607 1.00 18.05 C +ATOM 64 O GLY A 9 31.308 16.028 10.869 1.00 20.51 O +ATOM 65 N ALA A 10 30.325 15.087 12.632 1.00 21.53 N +ATOM 66 CA ALA A 10 31.462 14.212 12.933 1.00 21.98 C +ATOM 67 C ALA A 10 31.213 12.880 12.261 1.00 22.08 C +ATOM 68 O ALA A 10 30.296 12.147 12.620 1.00 22.89 O +ATOM 69 CB ALA A 10 31.631 14.020 14.442 1.00 18.94 C +ATOM 70 N MET A 11 32.003 12.614 11.234 1.00 24.62 N +ATOM 71 CA MET A 11 31.912 11.388 10.460 1.00 25.43 C +ATOM 72 C MET A 11 32.990 10.449 10.939 1.00 24.55 C +ATOM 73 O MET A 11 33.007 9.293 10.565 1.00 25.87 O +ATOM 74 CB MET A 11 32.099 11.692 8.966 1.00 30.30 C +ATOM 75 CG MET A 11 30.913 11.308 8.095 1.00 37.37 C +ATOM 76 SD MET A 11 30.630 12.404 6.648 1.00 41.29 S +ATOM 77 CE MET A 11 32.255 12.603 6.015 1.00 37.77 C +ATOM 78 N SER A 12 33.923 10.960 11.726 1.00 22.36 N +ATOM 79 CA SER A 12 34.973 10.124 12.263 1.00 23.03 C +ATOM 80 C SER A 12 35.345 10.627 13.647 1.00 22.93 C +ATOM 81 O SER A 12 34.939 11.708 14.066 1.00 22.28 O +ATOM 82 CB SER A 12 36.204 10.161 11.359 1.00 22.70 C +ATOM 83 OG SER A 12 36.829 11.424 11.433 1.00 23.09 O +ATOM 84 N GLY A 13 36.155 9.855 14.346 1.00 24.31 N +ATOM 85 CA GLY A 13 36.569 10.276 15.662 1.00 25.77 C +ATOM 86 C GLY A 13 35.592 9.828 16.718 1.00 25.95 C +ATOM 87 O GLY A 13 34.594 9.197 16.410 1.00 25.06 O +ATOM 88 N PRO A 14 35.847 10.182 17.979 1.00 27.30 N +ATOM 89 CA PRO A 14 35.046 9.846 19.158 1.00 28.43 C +ATOM 90 C PRO A 14 33.540 10.047 19.077 1.00 28.61 C +ATOM 91 O PRO A 14 32.795 9.226 19.617 1.00 30.52 O +ATOM 92 CB PRO A 14 35.647 10.746 20.238 1.00 30.22 C +ATOM 93 CG PRO A 14 37.078 10.923 19.786 1.00 30.38 C +ATOM 94 CD PRO A 14 36.910 11.144 18.324 1.00 28.20 C +ATOM 95 N VAL A 15 33.103 11.108 18.390 1.00 25.92 N +ATOM 96 CA VAL A 15 31.683 11.471 18.265 1.00 24.53 C +ATOM 97 C VAL A 15 30.956 10.932 17.010 1.00 23.88 C +ATOM 98 O VAL A 15 29.767 11.202 16.817 1.00 23.51 O +ATOM 99 CB VAL A 15 31.549 13.020 18.298 1.00 23.32 C +ATOM 100 CG1 VAL A 15 30.131 13.450 18.521 1.00 24.82 C +ATOM 101 CG2 VAL A 15 32.427 13.582 19.377 1.00 26.43 C +ATOM 102 N ALA A 16 31.629 10.110 16.207 1.00 23.28 N +ATOM 103 CA ALA A 16 31.038 9.591 14.964 1.00 23.34 C +ATOM 104 C ALA A 16 29.640 8.963 15.041 1.00 24.31 C +ATOM 105 O ALA A 16 28.854 9.082 14.103 1.00 21.64 O +ATOM 106 CB ALA A 16 32.008 8.655 14.261 1.00 24.90 C +ATOM 107 N GLN A 17 29.341 8.304 16.159 1.00 24.85 N +ATOM 108 CA GLN A 17 28.049 7.658 16.398 1.00 26.45 C +ATOM 109 C GLN A 17 26.904 8.664 16.340 1.00 25.21 C +ATOM 110 O GLN A 17 25.801 8.351 15.891 1.00 24.97 O +ATOM 111 CB GLN A 17 28.048 6.923 17.762 1.00 32.24 C +ATOM 112 CG GLN A 17 28.860 7.623 18.893 1.00 42.34 C +ATOM 113 CD GLN A 17 28.627 7.030 20.309 1.00 48.04 C +ATOM 114 OE1 GLN A 17 27.480 6.822 20.735 1.00 50.76 O +ATOM 115 NE2 GLN A 17 29.714 6.823 21.057 1.00 48.40 N +ATOM 116 N TYR A 18 27.176 9.885 16.769 1.00 25.27 N +ATOM 117 CA TYR A 18 26.171 10.935 16.756 1.00 25.83 C +ATOM 118 C TYR A 18 26.055 11.563 15.373 1.00 23.92 C +ATOM 119 O TYR A 18 24.961 11.970 14.954 1.00 22.73 O +ATOM 120 CB TYR A 18 26.482 11.946 17.859 1.00 30.21 C +ATOM 121 CG TYR A 18 26.433 11.238 19.189 1.00 36.37 C +ATOM 122 CD1 TYR A 18 25.199 10.841 19.730 1.00 39.94 C +ATOM 123 CD2 TYR A 18 27.603 10.804 19.820 1.00 39.08 C +ATOM 124 CE1 TYR A 18 25.119 10.018 20.858 1.00 43.00 C +ATOM 125 CE2 TYR A 18 27.544 9.972 20.960 1.00 43.77 C +ATOM 126 CZ TYR A 18 26.292 9.581 21.468 1.00 45.42 C +ATOM 127 OH TYR A 18 26.198 8.732 22.559 1.00 49.13 O +ATOM 128 N GLY A 19 27.191 11.664 14.682 1.00 22.62 N +ATOM 129 CA GLY A 19 27.191 12.174 13.325 1.00 20.32 C +ATOM 130 C GLY A 19 26.383 11.204 12.465 1.00 21.31 C +ATOM 131 O GLY A 19 25.625 11.625 11.592 1.00 21.21 O +ATOM 132 N ASP A 20 26.501 9.900 12.723 1.00 21.42 N +ATOM 133 CA ASP A 20 25.735 8.910 11.956 1.00 23.88 C +ATOM 134 C ASP A 20 24.257 9.259 12.014 1.00 21.03 C +ATOM 135 O ASP A 20 23.544 9.109 11.033 1.00 21.68 O +ATOM 136 CB ASP A 20 25.891 7.475 12.501 1.00 29.89 C +ATOM 137 CG ASP A 20 27.230 6.841 12.161 1.00 36.89 C +ATOM 138 OD1 ASP A 20 27.565 5.800 12.789 1.00 41.46 O +ATOM 139 OD2 ASP A 20 27.960 7.373 11.284 1.00 38.96 O +ATOM 140 N GLN A 21 23.777 9.632 13.196 1.00 18.46 N +ATOM 141 CA GLN A 21 22.376 9.999 13.350 1.00 16.56 C +ATOM 142 C GLN A 21 22.028 11.204 12.499 1.00 16.05 C +ATOM 143 O GLN A 21 20.973 11.236 11.866 1.00 15.97 O +ATOM 144 CB GLN A 21 22.063 10.326 14.795 1.00 17.78 C +ATOM 145 CG GLN A 21 22.303 9.185 15.774 1.00 19.43 C +ATOM 146 CD GLN A 21 21.983 9.596 17.201 1.00 21.35 C +ATOM 147 OE1 GLN A 21 21.338 10.610 17.433 1.00 22.75 O +ATOM 148 NE2 GLN A 21 22.438 8.806 18.158 1.00 23.92 N +ATOM 149 N GLU A 22 22.911 12.198 12.506 1.00 15.17 N +ATOM 150 CA GLU A 22 22.698 13.421 11.739 1.00 16.18 C +ATOM 151 C GLU A 22 22.586 13.132 10.242 1.00 17.34 C +ATOM 152 O GLU A 22 21.624 13.535 9.601 1.00 17.34 O +ATOM 153 CB GLU A 22 23.840 14.413 11.977 1.00 14.09 C +ATOM 154 CG GLU A 22 23.694 15.747 11.246 1.00 13.73 C +ATOM 155 CD GLU A 22 24.941 16.596 11.337 1.00 17.41 C +ATOM 156 OE1 GLU A 22 25.978 16.102 11.804 1.00 18.97 O +ATOM 157 OE2 GLU A 22 24.914 17.775 10.921 1.00 18.38 O +ATOM 158 N PHE A 23 23.552 12.404 9.699 1.00 17.06 N +ATOM 159 CA PHE A 23 23.540 12.103 8.271 1.00 18.46 C +ATOM 160 C PHE A 23 22.373 11.217 7.890 1.00 19.21 C +ATOM 161 O PHE A 23 21.768 11.401 6.837 1.00 21.02 O +ATOM 162 CB PHE A 23 24.904 11.553 7.819 1.00 18.81 C +ATOM 163 CG PHE A 23 26.003 12.603 7.840 1.00 20.94 C +ATOM 164 CD1 PHE A 23 26.931 12.650 8.878 1.00 21.75 C +ATOM 165 CD2 PHE A 23 26.055 13.592 6.865 1.00 21.37 C +ATOM 166 CE1 PHE A 23 27.877 13.663 8.946 1.00 20.91 C +ATOM 167 CE2 PHE A 23 27.001 14.609 6.926 1.00 19.71 C +ATOM 168 CZ PHE A 23 27.905 14.649 7.960 1.00 22.00 C +ATOM 169 N THR A 24 21.985 10.307 8.772 1.00 19.57 N +ATOM 170 CA THR A 24 20.846 9.443 8.472 1.00 19.26 C +ATOM 171 C THR A 24 19.579 10.286 8.319 1.00 17.84 C +ATOM 172 O THR A 24 18.798 10.086 7.390 1.00 17.00 O +ATOM 173 CB THR A 24 20.635 8.383 9.570 1.00 19.27 C +ATOM 174 OG1 THR A 24 21.701 7.432 9.516 1.00 22.15 O +ATOM 175 CG2 THR A 24 19.312 7.654 9.393 1.00 21.30 C +ATOM 176 N GLY A 25 19.396 11.260 9.206 1.00 16.20 N +ATOM 177 CA GLY A 25 18.208 12.077 9.141 1.00 13.20 C +ATOM 178 C GLY A 25 18.200 13.021 7.968 1.00 13.69 C +ATOM 179 O GLY A 25 17.153 13.254 7.409 1.00 14.50 O +ATOM 180 N ALA A 26 19.347 13.596 7.622 1.00 14.84 N +ATOM 181 CA ALA A 26 19.453 14.551 6.503 1.00 14.51 C +ATOM 182 C ALA A 26 19.197 13.812 5.184 1.00 15.83 C +ATOM 183 O ALA A 26 18.439 14.289 4.348 1.00 16.57 O +ATOM 184 CB ALA A 26 20.819 15.211 6.483 1.00 12.51 C +ATOM 185 N GLU A 27 19.802 12.633 5.031 1.00 17.34 N +ATOM 186 CA GLU A 27 19.624 11.823 3.832 1.00 18.12 C +ATOM 187 C GLU A 27 18.175 11.456 3.624 1.00 17.63 C +ATOM 188 O GLU A 27 17.629 11.629 2.535 1.00 17.00 O +ATOM 189 CB GLU A 27 20.455 10.556 3.917 1.00 19.76 C +ATOM 190 CG GLU A 27 21.923 10.808 3.679 1.00 31.81 C +ATOM 191 CD GLU A 27 22.806 9.648 4.136 1.00 38.32 C +ATOM 192 OE1 GLU A 27 24.048 9.809 4.036 1.00 42.02 O +ATOM 193 OE2 GLU A 27 22.275 8.601 4.611 1.00 41.11 O +ATOM 194 N GLN A 28 17.529 10.971 4.672 1.00 16.76 N +ATOM 195 CA GLN A 28 16.143 10.580 4.535 1.00 16.83 C +ATOM 196 C GLN A 28 15.271 11.777 4.236 1.00 16.33 C +ATOM 197 O GLN A 28 14.357 11.691 3.420 1.00 17.56 O +ATOM 198 CB GLN A 28 15.637 9.830 5.772 1.00 18.51 C +ATOM 199 CG GLN A 28 14.257 9.192 5.589 1.00 17.98 C +ATOM 200 CD GLN A 28 14.240 8.163 4.477 1.00 19.68 C +ATOM 201 OE1 GLN A 28 15.107 7.304 4.389 1.00 20.17 O +ATOM 202 NE2 GLN A 28 13.248 8.249 3.623 1.00 22.28 N +ATOM 203 N ALA A 29 15.571 12.906 4.859 1.00 15.10 N +ATOM 204 CA ALA A 29 14.789 14.108 4.649 1.00 15.39 C +ATOM 205 C ALA A 29 14.895 14.582 3.204 1.00 17.09 C +ATOM 206 O ALA A 29 13.883 14.927 2.588 1.00 15.93 O +ATOM 207 CB ALA A 29 15.246 15.206 5.591 1.00 15.85 C +ATOM 208 N VAL A 30 16.112 14.590 2.665 1.00 16.11 N +ATOM 209 CA VAL A 30 16.326 15.027 1.292 1.00 16.70 C +ATOM 210 C VAL A 30 15.677 14.039 0.322 1.00 15.80 C +ATOM 211 O VAL A 30 15.013 14.453 -0.615 1.00 16.95 O +ATOM 212 CB VAL A 30 17.837 15.263 0.996 1.00 17.78 C +ATOM 213 CG1 VAL A 30 18.123 15.350 -0.523 1.00 17.86 C +ATOM 214 CG2 VAL A 30 18.283 16.547 1.686 1.00 17.24 C +ATOM 215 N ALA A 31 15.736 12.753 0.622 1.00 16.27 N +ATOM 216 CA ALA A 31 15.105 11.756 -0.250 1.00 18.25 C +ATOM 217 C ALA A 31 13.591 11.974 -0.314 1.00 20.28 C +ATOM 218 O ALA A 31 12.987 11.893 -1.400 1.00 21.54 O +ATOM 219 CB ALA A 31 15.414 10.343 0.236 1.00 19.01 C +ATOM 220 N ASP A 32 13.000 12.339 0.826 1.00 18.93 N +ATOM 221 CA ASP A 32 11.559 12.579 0.921 1.00 19.45 C +ATOM 222 C ASP A 32 11.128 13.851 0.223 1.00 19.90 C +ATOM 223 O ASP A 32 10.095 13.879 -0.466 1.00 19.85 O +ATOM 224 CB ASP A 32 11.080 12.613 2.381 1.00 19.93 C +ATOM 225 CG ASP A 32 11.053 11.232 3.029 1.00 20.99 C +ATOM 226 OD1 ASP A 32 10.920 11.152 4.274 1.00 22.73 O +ATOM 227 OD2 ASP A 32 11.143 10.213 2.322 1.00 20.54 O +ATOM 228 N ILE A 33 11.873 14.924 0.447 1.00 16.89 N +ATOM 229 CA ILE A 33 11.553 16.195 -0.177 1.00 16.42 C +ATOM 230 C ILE A 33 11.659 16.088 -1.710 1.00 17.42 C +ATOM 231 O ILE A 33 10.779 16.543 -2.421 1.00 18.80 O +ATOM 232 CB ILE A 33 12.470 17.301 0.351 1.00 16.94 C +ATOM 233 CG1 ILE A 33 12.085 17.645 1.793 1.00 16.27 C +ATOM 234 CG2 ILE A 33 12.359 18.571 -0.501 1.00 19.16 C +ATOM 235 CD1 ILE A 33 13.112 18.471 2.497 1.00 16.30 C +ATOM 236 N ASN A 34 12.683 15.398 -2.192 1.00 17.51 N +ATOM 237 CA ASN A 34 12.912 15.240 -3.618 1.00 17.49 C +ATOM 238 C ASN A 34 11.854 14.356 -4.265 1.00 19.89 C +ATOM 239 O ASN A 34 11.323 14.699 -5.325 1.00 20.30 O +ATOM 240 CB ASN A 34 14.311 14.683 -3.878 1.00 13.09 C +ATOM 241 CG ASN A 34 15.390 15.725 -3.692 1.00 12.16 C +ATOM 242 OD1 ASN A 34 15.122 16.918 -3.594 1.00 15.63 O +ATOM 243 ND2 ASN A 34 16.626 15.274 -3.647 1.00 14.67 N +ATOM 244 N ALA A 35 11.542 13.229 -3.632 1.00 20.57 N +ATOM 245 CA ALA A 35 10.527 12.306 -4.139 1.00 20.61 C +ATOM 246 C ALA A 35 9.173 12.976 -4.341 1.00 21.72 C +ATOM 247 O ALA A 35 8.391 12.539 -5.189 1.00 25.56 O +ATOM 248 CB ALA A 35 10.398 11.070 -3.229 1.00 20.20 C +ATOM 249 N LYS A 36 8.885 14.035 -3.589 1.00 21.40 N +ATOM 250 CA LYS A 36 7.627 14.751 -3.754 1.00 22.09 C +ATOM 251 C LYS A 36 7.716 15.899 -4.743 1.00 21.91 C +ATOM 252 O LYS A 36 6.738 16.609 -4.925 1.00 25.38 O +ATOM 253 CB LYS A 36 7.100 15.267 -2.423 1.00 25.19 C +ATOM 254 CG LYS A 36 6.546 14.173 -1.540 1.00 31.65 C +ATOM 255 CD LYS A 36 6.203 14.720 -0.162 1.00 35.13 C +ATOM 256 CE LYS A 36 4.880 15.454 -0.133 1.00 37.79 C +ATOM 257 NZ LYS A 36 3.746 14.499 0.061 1.00 39.26 N +ATOM 258 N GLY A 37 8.878 16.100 -5.364 1.00 22.80 N +ATOM 259 CA GLY A 37 9.033 17.154 -6.360 1.00 22.57 C +ATOM 260 C GLY A 37 10.092 18.218 -6.104 1.00 25.05 C +ATOM 261 O GLY A 37 10.278 19.117 -6.934 1.00 26.35 O +ATOM 262 N GLY A 38 10.781 18.132 -4.962 1.00 23.63 N +ATOM 263 CA GLY A 38 11.800 19.106 -4.617 1.00 21.02 C +ATOM 264 C GLY A 38 11.181 20.428 -4.238 1.00 21.15 C +ATOM 265 O GLY A 38 10.104 20.478 -3.667 1.00 21.22 O +ATOM 266 N ILE A 39 11.855 21.517 -4.558 1.00 20.24 N +ATOM 267 CA ILE A 39 11.330 22.836 -4.249 1.00 23.46 C +ATOM 268 C ILE A 39 11.079 23.538 -5.592 1.00 23.24 C +ATOM 269 O ILE A 39 12.016 23.945 -6.288 1.00 23.02 O +ATOM 270 CB ILE A 39 12.299 23.583 -3.281 1.00 25.81 C +ATOM 271 CG1 ILE A 39 12.251 22.858 -1.915 1.00 28.43 C +ATOM 272 CG2 ILE A 39 11.881 25.043 -3.116 1.00 25.53 C +ATOM 273 CD1 ILE A 39 13.243 23.294 -0.947 1.00 31.17 C +ATOM 274 N LYS A 40 9.808 23.609 -5.980 1.00 24.46 N +ATOM 275 CA LYS A 40 9.435 24.175 -7.273 1.00 26.41 C +ATOM 276 C LYS A 40 10.197 23.441 -8.417 1.00 25.90 C +ATOM 277 O LYS A 40 10.645 24.049 -9.399 1.00 27.78 O +ATOM 278 CB LYS A 40 9.702 25.672 -7.280 1.00 28.67 C +ATOM 279 CG LYS A 40 8.830 26.388 -6.290 1.00 31.86 C +ATOM 280 CD LYS A 40 9.280 27.820 -6.048 1.00 36.86 C +ATOM 281 CE LYS A 40 8.252 28.561 -5.170 1.00 39.59 C +ATOM 282 NZ LYS A 40 8.640 29.997 -4.937 1.00 43.60 N +ATOM 283 N GLY A 41 10.342 22.125 -8.269 1.00 24.69 N +ATOM 284 CA GLY A 41 11.020 21.328 -9.273 1.00 23.05 C +ATOM 285 C GLY A 41 12.515 21.172 -9.087 1.00 24.82 C +ATOM 286 O GLY A 41 13.124 20.290 -9.686 1.00 26.49 O +ATOM 287 N ASN A 42 13.131 22.003 -8.252 1.00 23.86 N +ATOM 288 CA ASN A 42 14.573 21.893 -8.052 1.00 24.31 C +ATOM 289 C ASN A 42 14.839 20.880 -6.987 1.00 22.64 C +ATOM 290 O ASN A 42 14.151 20.877 -5.973 1.00 24.13 O +ATOM 291 CB ASN A 42 15.169 23.227 -7.639 1.00 25.03 C +ATOM 292 CG ASN A 42 15.087 24.243 -8.733 1.00 29.81 C +ATOM 293 OD1 ASN A 42 15.290 23.926 -9.908 1.00 31.34 O +ATOM 294 ND2 ASN A 42 14.786 25.466 -8.369 1.00 31.64 N +ATOM 295 N LYS A 43 15.791 19.994 -7.218 1.00 20.47 N +ATOM 296 CA LYS A 43 16.100 18.988 -6.215 1.00 21.60 C +ATOM 297 C LYS A 43 17.181 19.482 -5.254 1.00 20.42 C +ATOM 298 O LYS A 43 17.976 20.361 -5.605 1.00 19.14 O +ATOM 299 CB LYS A 43 16.563 17.679 -6.851 1.00 22.63 C +ATOM 300 CG LYS A 43 15.530 17.025 -7.730 1.00 26.18 C +ATOM 301 CD LYS A 43 14.183 16.928 -7.052 1.00 31.80 C +ATOM 302 CE LYS A 43 13.164 16.180 -7.938 1.00 35.79 C +ATOM 303 NZ LYS A 43 12.893 16.945 -9.201 1.00 38.16 N +ATOM 304 N LEU A 44 17.148 18.960 -4.021 1.00 19.88 N +ATOM 305 CA LEU A 44 18.146 19.293 -3.016 1.00 17.45 C +ATOM 306 C LEU A 44 19.263 18.303 -3.215 1.00 17.17 C +ATOM 307 O LEU A 44 19.010 17.137 -3.530 1.00 16.65 O +ATOM 308 CB LEU A 44 17.591 19.097 -1.607 1.00 17.55 C +ATOM 309 CG LEU A 44 16.583 20.131 -1.140 1.00 19.50 C +ATOM 310 CD1 LEU A 44 16.050 19.736 0.249 1.00 19.45 C +ATOM 311 CD2 LEU A 44 17.253 21.488 -1.112 1.00 18.43 C +ATOM 312 N GLN A 45 20.490 18.756 -3.004 1.00 16.06 N +ATOM 313 CA GLN A 45 21.661 17.923 -3.145 1.00 18.60 C +ATOM 314 C GLN A 45 22.543 18.099 -1.908 1.00 17.57 C +ATOM 315 O GLN A 45 22.992 19.197 -1.642 1.00 17.82 O +ATOM 316 CB GLN A 45 22.436 18.365 -4.379 1.00 22.48 C +ATOM 317 CG GLN A 45 23.823 17.819 -4.438 1.00 30.34 C +ATOM 318 CD GLN A 45 24.375 17.859 -5.828 1.00 34.76 C +ATOM 319 OE1 GLN A 45 24.947 16.880 -6.287 1.00 41.76 O +ATOM 320 NE2 GLN A 45 24.167 18.965 -6.531 1.00 35.95 N +ATOM 321 N ILE A 46 22.865 17.014 -1.213 1.00 16.76 N +ATOM 322 CA ILE A 46 23.686 17.121 -0.010 1.00 16.33 C +ATOM 323 C ILE A 46 25.164 17.036 -0.316 1.00 15.94 C +ATOM 324 O ILE A 46 25.569 16.224 -1.142 1.00 17.58 O +ATOM 325 CB ILE A 46 23.376 15.957 0.958 1.00 17.66 C +ATOM 326 CG1 ILE A 46 21.966 16.080 1.512 1.00 19.62 C +ATOM 327 CG2 ILE A 46 24.412 15.864 2.093 1.00 18.68 C +ATOM 328 CD1 ILE A 46 21.557 14.818 2.238 1.00 22.80 C +ATOM 329 N VAL A 47 25.958 17.906 0.297 1.00 13.27 N +ATOM 330 CA VAL A 47 27.402 17.817 0.171 1.00 14.98 C +ATOM 331 C VAL A 47 27.815 17.591 1.630 1.00 15.77 C +ATOM 332 O VAL A 47 27.501 18.412 2.474 1.00 15.20 O +ATOM 333 CB VAL A 47 28.041 19.122 -0.311 1.00 14.43 C +ATOM 334 CG1 VAL A 47 29.525 18.910 -0.492 1.00 15.79 C +ATOM 335 CG2 VAL A 47 27.407 19.554 -1.597 1.00 17.63 C +ATOM 336 N LYS A 48 28.453 16.466 1.922 1.00 15.96 N +ATOM 337 CA LYS A 48 28.870 16.123 3.279 1.00 15.15 C +ATOM 338 C LYS A 48 30.267 16.563 3.646 1.00 16.04 C +ATOM 339 O LYS A 48 31.199 16.418 2.860 1.00 18.99 O +ATOM 340 CB LYS A 48 28.835 14.622 3.447 1.00 16.83 C +ATOM 341 CG LYS A 48 27.538 13.989 3.134 1.00 20.02 C +ATOM 342 CD LYS A 48 27.701 12.500 3.169 1.00 24.08 C +ATOM 343 CE LYS A 48 26.426 11.859 2.701 1.00 29.30 C +ATOM 344 NZ LYS A 48 26.544 10.404 2.789 1.00 35.30 N +ATOM 345 N TYR A 49 30.435 17.079 4.852 1.00 14.51 N +ATOM 346 CA TYR A 49 31.745 17.485 5.337 1.00 13.83 C +ATOM 347 C TYR A 49 31.896 16.898 6.729 1.00 14.67 C +ATOM 348 O TYR A 49 30.963 16.872 7.496 1.00 14.10 O +ATOM 349 CB TYR A 49 31.868 18.999 5.467 1.00 13.81 C +ATOM 350 CG TYR A 49 31.702 19.751 4.179 1.00 14.53 C +ATOM 351 CD1 TYR A 49 32.801 20.355 3.550 1.00 16.43 C +ATOM 352 CD2 TYR A 49 30.442 19.898 3.603 1.00 14.89 C +ATOM 353 CE1 TYR A 49 32.643 21.098 2.375 1.00 14.92 C +ATOM 354 CE2 TYR A 49 30.274 20.633 2.434 1.00 16.47 C +ATOM 355 CZ TYR A 49 31.372 21.237 1.830 1.00 16.71 C +ATOM 356 OH TYR A 49 31.167 22.057 0.739 1.00 17.19 O +ATOM 357 N ASP A 50 33.095 16.457 7.041 1.00 15.50 N +ATOM 358 CA ASP A 50 33.395 15.875 8.337 1.00 16.29 C +ATOM 359 C ASP A 50 34.256 16.880 9.096 1.00 16.25 C +ATOM 360 O ASP A 50 35.349 17.262 8.633 1.00 16.01 O +ATOM 361 CB ASP A 50 34.145 14.540 8.126 1.00 16.40 C +ATOM 362 CG ASP A 50 34.617 13.898 9.424 1.00 18.89 C +ATOM 363 OD1 ASP A 50 35.428 12.966 9.347 1.00 22.11 O +ATOM 364 OD2 ASP A 50 34.201 14.303 10.516 1.00 20.25 O +ATOM 365 N ASP A 51 33.747 17.392 10.212 1.00 14.75 N +ATOM 366 CA ASP A 51 34.586 18.304 10.963 1.00 15.95 C +ATOM 367 C ASP A 51 35.227 17.583 12.156 1.00 17.46 C +ATOM 368 O ASP A 51 36.016 18.193 12.899 1.00 18.97 O +ATOM 369 CB ASP A 51 33.863 19.593 11.388 1.00 14.86 C +ATOM 370 CG ASP A 51 32.889 19.398 12.574 1.00 14.99 C +ATOM 371 OD1 ASP A 51 32.536 18.272 12.922 1.00 14.53 O +ATOM 372 OD2 ASP A 51 32.426 20.407 13.116 1.00 15.64 O +ATOM 373 N ALA A 52 34.870 16.305 12.334 1.00 17.60 N +ATOM 374 CA ALA A 52 35.395 15.467 13.431 1.00 19.06 C +ATOM 375 C ALA A 52 35.218 16.128 14.816 1.00 20.36 C +ATOM 376 O ALA A 52 35.930 15.785 15.770 1.00 21.29 O +ATOM 377 CB ALA A 52 36.882 15.173 13.192 1.00 17.42 C +ATOM 378 N CYS A 53 34.270 17.057 14.919 1.00 20.18 N +ATOM 379 CA CYS A 53 34.022 17.823 16.141 1.00 21.29 C +ATOM 380 C CYS A 53 35.303 18.421 16.658 1.00 23.04 C +ATOM 381 O CYS A 53 35.589 18.377 17.842 1.00 25.39 O +ATOM 382 CB CYS A 53 33.342 16.982 17.207 1.00 22.24 C +ATOM 383 SG CYS A 53 31.603 16.837 16.884 1.00 25.69 S +ATOM 384 N ASP A 54 36.075 19.006 15.752 1.00 23.11 N +ATOM 385 CA ASP A 54 37.342 19.607 16.101 1.00 22.13 C +ATOM 386 C ASP A 54 37.262 21.055 15.667 1.00 22.45 C +ATOM 387 O ASP A 54 37.042 21.329 14.494 1.00 21.59 O +ATOM 388 CB ASP A 54 38.421 18.858 15.351 1.00 24.23 C +ATOM 389 CG ASP A 54 39.795 19.342 15.684 1.00 25.65 C +ATOM 390 OD1 ASP A 54 40.580 18.544 16.208 1.00 33.10 O +ATOM 391 OD2 ASP A 54 40.099 20.509 15.413 1.00 28.69 O +ATOM 392 N PRO A 55 37.448 22.010 16.603 1.00 22.04 N +ATOM 393 CA PRO A 55 37.375 23.441 16.284 1.00 21.42 C +ATOM 394 C PRO A 55 38.272 23.869 15.133 1.00 21.72 C +ATOM 395 O PRO A 55 37.900 24.748 14.359 1.00 22.94 O +ATOM 396 CB PRO A 55 37.779 24.113 17.594 1.00 20.70 C +ATOM 397 CG PRO A 55 37.317 23.161 18.613 1.00 23.77 C +ATOM 398 CD PRO A 55 37.729 21.816 18.038 1.00 22.65 C +ATOM 399 N LYS A 56 39.454 23.271 15.021 1.00 21.69 N +ATOM 400 CA LYS A 56 40.353 23.642 13.939 1.00 22.81 C +ATOM 401 C LYS A 56 39.848 23.126 12.588 1.00 20.52 C +ATOM 402 O LYS A 56 39.862 23.859 11.600 1.00 21.27 O +ATOM 403 CB LYS A 56 41.773 23.149 14.210 1.00 27.16 C +ATOM 404 CG LYS A 56 42.792 24.236 14.020 1.00 33.56 C +ATOM 405 CD LYS A 56 43.737 24.334 15.201 1.00 39.25 C +ATOM 406 CE LYS A 56 45.067 23.639 14.907 1.00 42.65 C +ATOM 407 NZ LYS A 56 44.849 22.211 14.510 1.00 46.06 N +ATOM 408 N GLN A 57 39.393 21.876 12.547 1.00 19.47 N +ATOM 409 CA GLN A 57 38.861 21.297 11.318 1.00 20.55 C +ATOM 410 C GLN A 57 37.534 21.991 10.938 1.00 20.10 C +ATOM 411 O GLN A 57 37.211 22.132 9.756 1.00 18.67 O +ATOM 412 CB GLN A 57 38.696 19.779 11.476 1.00 21.39 C +ATOM 413 CG GLN A 57 38.070 19.017 10.269 1.00 26.02 C +ATOM 414 CD GLN A 57 38.920 19.026 8.963 1.00 29.24 C +ATOM 415 OE1 GLN A 57 40.131 19.237 8.996 1.00 27.83 O +ATOM 416 NE2 GLN A 57 38.258 18.809 7.814 1.00 25.16 N +ATOM 417 N ALA A 58 36.803 22.498 11.931 1.00 17.68 N +ATOM 418 CA ALA A 58 35.540 23.185 11.666 1.00 16.77 C +ATOM 419 C ALA A 58 35.783 24.470 10.877 1.00 17.78 C +ATOM 420 O ALA A 58 34.992 24.836 10.000 1.00 17.52 O +ATOM 421 CB ALA A 58 34.806 23.495 12.970 1.00 16.54 C +ATOM 422 N VAL A 59 36.873 25.160 11.186 1.00 17.55 N +ATOM 423 CA VAL A 59 37.189 26.391 10.481 1.00 18.29 C +ATOM 424 C VAL A 59 37.593 26.092 9.024 1.00 18.08 C +ATOM 425 O VAL A 59 37.167 26.810 8.125 1.00 18.64 O +ATOM 426 CB VAL A 59 38.227 27.251 11.253 1.00 19.09 C +ATOM 427 CG1 VAL A 59 38.786 28.338 10.362 1.00 23.37 C +ATOM 428 CG2 VAL A 59 37.544 27.928 12.441 1.00 20.28 C +ATOM 429 N ALA A 60 38.383 25.035 8.804 1.00 17.90 N +ATOM 430 CA ALA A 60 38.790 24.599 7.449 1.00 18.58 C +ATOM 431 C ALA A 60 37.535 24.250 6.633 1.00 18.88 C +ATOM 432 O ALA A 60 37.454 24.563 5.444 1.00 18.01 O +ATOM 433 CB ALA A 60 39.706 23.351 7.521 1.00 17.76 C +ATOM 434 N VAL A 61 36.588 23.554 7.270 1.00 15.83 N +ATOM 435 CA VAL A 61 35.331 23.178 6.625 1.00 14.65 C +ATOM 436 C VAL A 61 34.471 24.400 6.279 1.00 15.15 C +ATOM 437 O VAL A 61 33.883 24.474 5.192 1.00 16.97 O +ATOM 438 CB VAL A 61 34.488 22.185 7.509 1.00 14.56 C +ATOM 439 CG1 VAL A 61 33.031 22.129 7.022 1.00 14.94 C +ATOM 440 CG2 VAL A 61 35.081 20.788 7.491 1.00 13.58 C +ATOM 441 N ALA A 62 34.402 25.374 7.181 1.00 13.90 N +ATOM 442 CA ALA A 62 33.583 26.558 6.953 1.00 14.61 C +ATOM 443 C ALA A 62 34.124 27.389 5.785 1.00 16.01 C +ATOM 444 O ALA A 62 33.360 27.930 4.995 1.00 16.40 O +ATOM 445 CB ALA A 62 33.507 27.413 8.216 1.00 14.06 C +ATOM 446 N ASN A 63 35.437 27.540 5.721 1.00 17.15 N +ATOM 447 CA ASN A 63 36.039 28.291 4.622 1.00 18.81 C +ATOM 448 C ASN A 63 35.806 27.545 3.298 1.00 19.22 C +ATOM 449 O ASN A 63 35.549 28.176 2.262 1.00 21.95 O +ATOM 450 CB ASN A 63 37.532 28.499 4.844 1.00 17.77 C +ATOM 451 CG ASN A 63 37.815 29.578 5.847 1.00 21.20 C +ATOM 452 OD1 ASN A 63 38.624 29.398 6.760 1.00 21.29 O +ATOM 453 ND2 ASN A 63 37.137 30.705 5.701 1.00 19.39 N +ATOM 454 N LYS A 64 35.870 26.214 3.326 1.00 17.81 N +ATOM 455 CA LYS A 64 35.640 25.422 2.115 1.00 17.15 C +ATOM 456 C LYS A 64 34.203 25.589 1.627 1.00 17.35 C +ATOM 457 O LYS A 64 33.963 25.754 0.433 1.00 17.23 O +ATOM 458 CB LYS A 64 35.963 23.958 2.370 1.00 17.39 C +ATOM 459 CG LYS A 64 35.599 23.031 1.212 1.00 20.89 C +ATOM 460 CD LYS A 64 36.793 22.426 0.597 1.00 23.08 C +ATOM 461 CE LYS A 64 36.837 22.756 -0.870 1.00 27.15 C +ATOM 462 NZ LYS A 64 36.018 21.782 -1.621 1.00 26.33 N +ATOM 463 N VAL A 65 33.249 25.521 2.550 1.00 15.60 N +ATOM 464 CA VAL A 65 31.833 25.694 2.230 1.00 15.40 C +ATOM 465 C VAL A 65 31.640 27.040 1.505 1.00 17.36 C +ATOM 466 O VAL A 65 30.897 27.139 0.507 1.00 17.33 O +ATOM 467 CB VAL A 65 30.973 25.626 3.535 1.00 14.87 C +ATOM 468 CG1 VAL A 65 29.510 25.998 3.265 1.00 14.40 C +ATOM 469 CG2 VAL A 65 31.027 24.232 4.104 1.00 14.09 C +ATOM 470 N VAL A 66 32.350 28.059 1.978 1.00 18.20 N +ATOM 471 CA VAL A 66 32.295 29.381 1.383 1.00 19.84 C +ATOM 472 C VAL A 66 32.837 29.315 -0.064 1.00 21.46 C +ATOM 473 O VAL A 66 32.157 29.744 -0.992 1.00 21.73 O +ATOM 474 CB VAL A 66 33.082 30.412 2.274 1.00 21.73 C +ATOM 475 CG1 VAL A 66 33.142 31.797 1.614 1.00 20.76 C +ATOM 476 CG2 VAL A 66 32.385 30.554 3.631 1.00 19.51 C +ATOM 477 N ASN A 67 34.018 28.726 -0.248 1.00 22.19 N +ATOM 478 CA ASN A 67 34.644 28.559 -1.574 1.00 24.49 C +ATOM 479 C ASN A 67 33.762 27.758 -2.515 1.00 24.00 C +ATOM 480 O ASN A 67 33.683 28.065 -3.721 1.00 25.38 O +ATOM 481 CB ASN A 67 35.996 27.823 -1.439 1.00 27.98 C +ATOM 482 CG ASN A 67 36.489 27.162 -2.781 1.00 33.31 C +ATOM 483 OD1 ASN A 67 36.526 25.897 -2.909 1.00 30.70 O +ATOM 484 ND2 ASN A 67 36.932 28.009 -3.744 1.00 31.08 N +ATOM 485 N ASP A 68 33.137 26.703 -2.006 1.00 19.61 N +ATOM 486 CA ASP A 68 32.283 25.870 -2.842 1.00 19.23 C +ATOM 487 C ASP A 68 31.023 26.568 -3.310 1.00 18.27 C +ATOM 488 O ASP A 68 30.247 25.989 -4.056 1.00 18.52 O +ATOM 489 CB ASP A 68 31.900 24.587 -2.114 1.00 19.82 C +ATOM 490 CG ASP A 68 33.074 23.637 -1.955 1.00 25.31 C +ATOM 491 OD1 ASP A 68 32.915 22.600 -1.263 1.00 22.89 O +ATOM 492 OD2 ASP A 68 34.156 23.926 -2.522 1.00 27.43 O +ATOM 493 N GLY A 69 30.783 27.776 -2.806 1.00 18.41 N +ATOM 494 CA GLY A 69 29.595 28.543 -3.167 1.00 17.16 C +ATOM 495 C GLY A 69 28.279 28.091 -2.544 1.00 18.55 C +ATOM 496 O GLY A 69 27.205 28.413 -3.052 1.00 16.34 O +ATOM 497 N ILE A 70 28.341 27.350 -1.442 1.00 16.43 N +ATOM 498 CA ILE A 70 27.120 26.867 -0.782 1.00 16.01 C +ATOM 499 C ILE A 70 26.589 27.963 0.147 1.00 16.31 C +ATOM 500 O ILE A 70 27.383 28.684 0.764 1.00 16.55 O +ATOM 501 CB ILE A 70 27.403 25.537 -0.050 1.00 17.21 C +ATOM 502 CG1 ILE A 70 27.766 24.470 -1.098 1.00 15.26 C +ATOM 503 CG2 ILE A 70 26.189 25.135 0.826 1.00 16.75 C +ATOM 504 CD1 ILE A 70 28.223 23.145 -0.535 1.00 14.39 C +ATOM 505 N LYS A 71 25.265 28.141 0.172 1.00 14.51 N +ATOM 506 CA LYS A 71 24.636 29.188 0.965 1.00 14.11 C +ATOM 507 C LYS A 71 23.877 28.748 2.198 1.00 13.31 C +ATOM 508 O LYS A 71 23.441 29.593 2.967 1.00 12.69 O +ATOM 509 CB LYS A 71 23.684 29.994 0.070 1.00 19.43 C +ATOM 510 CG LYS A 71 24.413 30.828 -0.989 1.00 25.52 C +ATOM 511 CD LYS A 71 25.259 31.899 -0.283 1.00 34.49 C +ATOM 512 CE LYS A 71 26.308 32.571 -1.193 1.00 39.32 C +ATOM 513 NZ LYS A 71 27.604 31.826 -1.202 1.00 41.24 N +ATOM 514 N TYR A 72 23.661 27.446 2.341 1.00 13.87 N +ATOM 515 CA TYR A 72 22.893 26.877 3.463 1.00 14.07 C +ATOM 516 C TYR A 72 23.663 25.739 4.091 1.00 15.66 C +ATOM 517 O TYR A 72 24.124 24.837 3.387 1.00 13.18 O +ATOM 518 CB TYR A 72 21.548 26.324 2.963 1.00 14.99 C +ATOM 519 CG TYR A 72 20.941 27.167 1.844 1.00 14.97 C +ATOM 520 CD1 TYR A 72 20.890 26.674 0.537 1.00 17.67 C +ATOM 521 CD2 TYR A 72 20.492 28.471 2.080 1.00 13.79 C +ATOM 522 CE1 TYR A 72 20.411 27.466 -0.509 1.00 15.85 C +ATOM 523 CE2 TYR A 72 20.004 29.267 1.036 1.00 15.54 C +ATOM 524 CZ TYR A 72 19.973 28.744 -0.259 1.00 17.21 C +ATOM 525 OH TYR A 72 19.492 29.486 -1.324 1.00 18.76 O +ATOM 526 N VAL A 73 23.786 25.769 5.423 1.00 15.14 N +ATOM 527 CA VAL A 73 24.514 24.735 6.139 1.00 14.05 C +ATOM 528 C VAL A 73 23.636 24.131 7.233 1.00 13.69 C +ATOM 529 O VAL A 73 22.965 24.863 7.940 1.00 14.28 O +ATOM 530 CB VAL A 73 25.822 25.305 6.800 1.00 13.61 C +ATOM 531 CG1 VAL A 73 26.519 24.208 7.648 1.00 14.48 C +ATOM 532 CG2 VAL A 73 26.795 25.821 5.724 1.00 13.08 C +ATOM 533 N ILE A 74 23.580 22.809 7.284 1.00 12.75 N +ATOM 534 CA ILE A 74 22.863 22.063 8.316 1.00 13.09 C +ATOM 535 C ILE A 74 24.023 21.536 9.181 1.00 13.07 C +ATOM 536 O ILE A 74 24.777 20.665 8.760 1.00 13.19 O +ATOM 537 CB ILE A 74 22.115 20.870 7.723 1.00 12.92 C +ATOM 538 CG1 ILE A 74 21.130 21.336 6.652 1.00 11.80 C +ATOM 539 CG2 ILE A 74 21.398 20.123 8.816 1.00 14.03 C +ATOM 540 CD1 ILE A 74 20.156 22.403 7.102 1.00 15.01 C +ATOM 541 N GLY A 75 24.243 22.146 10.330 1.00 12.75 N +ATOM 542 CA GLY A 75 25.346 21.724 11.165 1.00 14.19 C +ATOM 543 C GLY A 75 25.759 22.901 12.037 1.00 11.97 C +ATOM 544 O GLY A 75 25.033 23.884 12.097 1.00 12.44 O +ATOM 545 N HIS A 76 26.899 22.820 12.721 1.00 12.32 N +ATOM 546 CA HIS A 76 27.637 21.578 12.894 1.00 10.95 C +ATOM 547 C HIS A 76 27.041 20.734 14.021 1.00 13.59 C +ATOM 548 O HIS A 76 25.896 20.957 14.445 1.00 14.52 O +ATOM 549 CB HIS A 76 29.107 21.874 13.148 1.00 11.11 C +ATOM 550 CG HIS A 76 29.780 22.654 12.047 1.00 11.62 C +ATOM 551 ND1 HIS A 76 31.143 22.597 11.834 1.00 10.79 N +ATOM 552 CD2 HIS A 76 29.288 23.517 11.130 1.00 12.40 C +ATOM 553 CE1 HIS A 76 31.465 23.402 10.830 1.00 13.20 C +ATOM 554 NE2 HIS A 76 30.352 23.969 10.383 1.00 13.99 N +ATOM 555 N LEU A 77 27.782 19.740 14.489 1.00 15.07 N +ATOM 556 CA LEU A 77 27.255 18.867 15.529 1.00 17.50 C +ATOM 557 C LEU A 77 27.595 19.260 16.975 1.00 17.62 C +ATOM 558 O LEU A 77 26.707 19.314 17.830 1.00 20.77 O +ATOM 559 CB LEU A 77 27.694 17.426 15.262 1.00 18.95 C +ATOM 560 CG LEU A 77 27.068 16.278 16.049 1.00 21.09 C +ATOM 561 CD1 LEU A 77 25.592 16.170 15.766 1.00 25.39 C +ATOM 562 CD2 LEU A 77 27.749 14.982 15.653 1.00 24.85 C +ATOM 563 N CYS A 78 28.862 19.528 17.252 1.00 16.41 N +ATOM 564 CA CYS A 78 29.277 19.882 18.608 1.00 15.96 C +ATOM 565 C CYS A 78 29.316 21.375 18.809 1.00 17.29 C +ATOM 566 O CYS A 78 29.656 22.124 17.888 1.00 16.30 O +ATOM 567 CB CYS A 78 30.659 19.320 18.883 1.00 15.03 C +ATOM 568 SG CYS A 78 30.755 17.543 18.777 1.00 17.94 S +ATOM 569 N SER A 79 29.042 21.834 20.030 1.00 16.18 N +ATOM 570 CA SER A 79 29.075 23.258 20.283 1.00 15.16 C +ATOM 571 C SER A 79 30.475 23.837 20.077 1.00 16.26 C +ATOM 572 O SER A 79 30.602 24.926 19.511 1.00 18.37 O +ATOM 573 CB SER A 79 28.585 23.572 21.693 1.00 15.50 C +ATOM 574 OG SER A 79 27.236 23.144 21.866 1.00 19.71 O +ATOM 575 N SER A 80 31.533 23.119 20.475 1.00 18.48 N +ATOM 576 CA SER A 80 32.889 23.661 20.324 1.00 20.37 C +ATOM 577 C SER A 80 33.307 23.923 18.875 1.00 20.69 C +ATOM 578 O SER A 80 34.046 24.876 18.596 1.00 18.92 O +ATOM 579 CB SER A 80 33.929 22.781 21.013 1.00 22.56 C +ATOM 580 OG SER A 80 33.902 21.458 20.499 1.00 27.72 O +ATOM 581 N SER A 81 32.856 23.080 17.954 1.00 19.18 N +ATOM 582 CA SER A 81 33.213 23.299 16.560 1.00 20.62 C +ATOM 583 C SER A 81 32.213 24.194 15.821 1.00 20.21 C +ATOM 584 O SER A 81 32.594 24.933 14.908 1.00 19.61 O +ATOM 585 CB SER A 81 33.436 21.979 15.847 1.00 20.62 C +ATOM 586 OG SER A 81 32.421 21.071 16.144 1.00 25.30 O +ATOM 587 N THR A 82 30.959 24.200 16.278 1.00 18.20 N +ATOM 588 CA THR A 82 29.942 25.031 15.674 1.00 16.95 C +ATOM 589 C THR A 82 30.203 26.511 15.923 1.00 18.89 C +ATOM 590 O THR A 82 30.073 27.325 15.009 1.00 19.81 O +ATOM 591 CB THR A 82 28.546 24.666 16.190 1.00 14.24 C +ATOM 592 OG1 THR A 82 28.270 23.312 15.846 1.00 15.29 O +ATOM 593 CG2 THR A 82 27.466 25.555 15.582 1.00 15.85 C +ATOM 594 N GLN A 83 30.622 26.881 17.133 1.00 18.87 N +ATOM 595 CA GLN A 83 30.835 28.297 17.387 1.00 19.94 C +ATOM 596 C GLN A 83 31.838 28.996 16.481 1.00 17.32 C +ATOM 597 O GLN A 83 31.523 30.041 15.926 1.00 17.70 O +ATOM 598 CB GLN A 83 31.105 28.617 18.869 1.00 23.89 C +ATOM 599 CG GLN A 83 31.138 30.127 19.066 1.00 28.05 C +ATOM 600 CD GLN A 83 30.831 30.603 20.469 1.00 34.09 C +ATOM 601 OE1 GLN A 83 31.537 31.482 20.998 1.00 37.41 O +ATOM 602 NE2 GLN A 83 29.758 30.094 21.060 1.00 34.89 N +ATOM 603 N PRO A 84 33.066 28.467 16.343 1.00 17.31 N +ATOM 604 CA PRO A 84 33.989 29.179 15.453 1.00 17.55 C +ATOM 605 C PRO A 84 33.530 29.188 13.989 1.00 15.96 C +ATOM 606 O PRO A 84 33.779 30.136 13.262 1.00 17.14 O +ATOM 607 CB PRO A 84 35.314 28.427 15.653 1.00 16.11 C +ATOM 608 CG PRO A 84 34.907 27.089 16.136 1.00 17.51 C +ATOM 609 CD PRO A 84 33.756 27.366 17.036 1.00 17.15 C +ATOM 610 N ALA A 85 32.848 28.135 13.571 1.00 16.10 N +ATOM 611 CA ALA A 85 32.359 28.066 12.201 1.00 15.21 C +ATOM 612 C ALA A 85 31.285 29.105 11.974 1.00 15.22 C +ATOM 613 O ALA A 85 31.258 29.737 10.911 1.00 14.76 O +ATOM 614 CB ALA A 85 31.836 26.682 11.885 1.00 15.96 C +ATOM 615 N SER A 86 30.447 29.340 12.987 1.00 14.70 N +ATOM 616 CA SER A 86 29.371 30.320 12.885 1.00 15.17 C +ATOM 617 C SER A 86 29.879 31.749 12.651 1.00 15.74 C +ATOM 618 O SER A 86 29.193 32.568 12.045 1.00 17.55 O +ATOM 619 CB SER A 86 28.454 30.254 14.109 1.00 15.24 C +ATOM 620 OG SER A 86 29.086 30.869 15.187 1.00 18.28 O +ATOM 621 N ASP A 87 31.087 32.062 13.113 1.00 18.49 N +ATOM 622 CA ASP A 87 31.671 33.391 12.884 1.00 17.04 C +ATOM 623 C ASP A 87 31.877 33.591 11.379 1.00 17.92 C +ATOM 624 O ASP A 87 31.577 34.663 10.828 1.00 19.66 O +ATOM 625 CB ASP A 87 33.027 33.514 13.576 1.00 18.33 C +ATOM 626 CG ASP A 87 32.909 33.561 15.084 1.00 21.68 C +ATOM 627 OD1 ASP A 87 31.862 34.049 15.609 1.00 21.15 O +ATOM 628 OD2 ASP A 87 33.874 33.101 15.731 1.00 21.51 O +ATOM 629 N ILE A 88 32.398 32.553 10.734 1.00 16.56 N +ATOM 630 CA ILE A 88 32.628 32.567 9.294 1.00 16.59 C +ATOM 631 C ILE A 88 31.299 32.632 8.524 1.00 15.94 C +ATOM 632 O ILE A 88 31.128 33.520 7.660 1.00 17.09 O +ATOM 633 CB ILE A 88 33.516 31.361 8.848 1.00 16.79 C +ATOM 634 CG1 ILE A 88 34.929 31.544 9.394 1.00 15.50 C +ATOM 635 CG2 ILE A 88 33.610 31.287 7.326 1.00 16.59 C +ATOM 636 CD1 ILE A 88 35.695 30.260 9.556 1.00 18.18 C +ATOM 637 N TYR A 89 30.339 31.765 8.857 1.00 14.49 N +ATOM 638 CA TYR A 89 29.035 31.787 8.192 1.00 14.50 C +ATOM 639 C TYR A 89 28.327 33.159 8.294 1.00 17.84 C +ATOM 640 O TYR A 89 27.823 33.705 7.283 1.00 17.20 O +ATOM 641 CB TYR A 89 28.128 30.686 8.734 1.00 9.36 C +ATOM 642 CG TYR A 89 28.702 29.309 8.515 1.00 13.44 C +ATOM 643 CD1 TYR A 89 28.520 28.303 9.453 1.00 12.82 C +ATOM 644 CD2 TYR A 89 29.450 29.010 7.372 1.00 12.70 C +ATOM 645 CE1 TYR A 89 29.069 27.037 9.277 1.00 13.08 C +ATOM 646 CE2 TYR A 89 30.003 27.743 7.174 1.00 12.57 C +ATOM 647 CZ TYR A 89 29.817 26.756 8.137 1.00 12.52 C +ATOM 648 OH TYR A 89 30.402 25.520 8.024 1.00 12.07 O +ATOM 649 N GLU A 90 28.317 33.736 9.498 1.00 16.31 N +ATOM 650 CA GLU A 90 27.692 35.022 9.717 1.00 16.49 C +ATOM 651 C GLU A 90 28.396 36.108 8.902 1.00 17.58 C +ATOM 652 O GLU A 90 27.733 36.928 8.269 1.00 17.94 O +ATOM 653 CB GLU A 90 27.723 35.395 11.195 1.00 18.67 C +ATOM 654 CG GLU A 90 26.992 36.696 11.527 1.00 19.28 C +ATOM 655 CD GLU A 90 25.473 36.589 11.487 1.00 20.28 C +ATOM 656 OE1 GLU A 90 24.914 35.463 11.451 1.00 20.42 O +ATOM 657 OE2 GLU A 90 24.821 37.660 11.530 1.00 23.98 O +ATOM 658 N ASP A 91 29.728 36.100 8.907 1.00 18.10 N +ATOM 659 CA ASP A 91 30.514 37.096 8.180 1.00 19.60 C +ATOM 660 C ASP A 91 30.284 37.020 6.680 1.00 20.20 C +ATOM 661 O ASP A 91 30.162 38.049 6.029 1.00 19.49 O +ATOM 662 CB ASP A 91 32.006 36.929 8.489 1.00 23.94 C +ATOM 663 CG ASP A 91 32.868 38.058 7.907 1.00 26.95 C +ATOM 664 OD1 ASP A 91 32.692 39.235 8.303 1.00 30.28 O +ATOM 665 OD2 ASP A 91 33.740 37.759 7.070 1.00 30.41 O +ATOM 666 N GLU A 92 30.128 35.798 6.168 1.00 20.14 N +ATOM 667 CA GLU A 92 29.935 35.567 4.738 1.00 19.02 C +ATOM 668 C GLU A 92 28.504 35.527 4.273 1.00 19.06 C +ATOM 669 O GLU A 92 28.255 35.372 3.086 1.00 21.89 O +ATOM 670 CB GLU A 92 30.603 34.276 4.313 1.00 19.07 C +ATOM 671 CG GLU A 92 32.080 34.234 4.591 1.00 25.41 C +ATOM 672 CD GLU A 92 32.926 35.028 3.601 1.00 30.93 C +ATOM 673 OE1 GLU A 92 34.136 35.154 3.860 1.00 32.94 O +ATOM 674 OE2 GLU A 92 32.398 35.507 2.572 1.00 32.52 O +ATOM 675 N GLY A 93 27.552 35.629 5.182 1.00 17.62 N +ATOM 676 CA GLY A 93 26.160 35.612 4.771 1.00 19.13 C +ATOM 677 C GLY A 93 25.592 34.262 4.391 1.00 17.54 C +ATOM 678 O GLY A 93 24.750 34.158 3.499 1.00 17.87 O +ATOM 679 N ILE A 94 26.022 33.234 5.117 1.00 17.16 N +ATOM 680 CA ILE A 94 25.604 31.854 4.915 1.00 14.83 C +ATOM 681 C ILE A 94 24.668 31.436 6.068 1.00 15.58 C +ATOM 682 O ILE A 94 24.978 31.665 7.233 1.00 14.35 O +ATOM 683 CB ILE A 94 26.877 30.963 4.832 1.00 15.64 C +ATOM 684 CG1 ILE A 94 27.689 31.391 3.591 1.00 18.59 C +ATOM 685 CG2 ILE A 94 26.543 29.477 4.756 1.00 13.21 C +ATOM 686 CD1 ILE A 94 28.930 30.612 3.363 1.00 24.24 C +ATOM 687 N LEU A 95 23.496 30.903 5.740 1.00 12.43 N +ATOM 688 CA LEU A 95 22.547 30.451 6.751 1.00 13.02 C +ATOM 689 C LEU A 95 23.044 29.167 7.418 1.00 13.61 C +ATOM 690 O LEU A 95 23.452 28.215 6.737 1.00 11.88 O +ATOM 691 CB LEU A 95 21.190 30.194 6.113 1.00 14.14 C +ATOM 692 CG LEU A 95 20.072 29.702 7.033 1.00 16.07 C +ATOM 693 CD1 LEU A 95 19.557 30.849 7.894 1.00 17.61 C +ATOM 694 CD2 LEU A 95 18.944 29.110 6.201 1.00 18.61 C +ATOM 695 N MET A 96 23.001 29.121 8.752 1.00 13.09 N +ATOM 696 CA MET A 96 23.451 27.926 9.449 1.00 12.29 C +ATOM 697 C MET A 96 22.383 27.453 10.419 1.00 14.39 C +ATOM 698 O MET A 96 21.939 28.238 11.249 1.00 15.77 O +ATOM 699 CB MET A 96 24.751 28.198 10.210 1.00 14.16 C +ATOM 700 CG MET A 96 25.399 26.905 10.733 1.00 14.70 C +ATOM 701 SD MET A 96 26.468 27.134 12.161 1.00 17.44 S +ATOM 702 CE MET A 96 25.224 27.339 13.388 1.00 15.87 C +ATOM 703 N ILE A 97 21.913 26.218 10.264 1.00 13.26 N +ATOM 704 CA ILE A 97 20.885 25.682 11.156 1.00 14.36 C +ATOM 705 C ILE A 97 21.484 24.464 11.865 1.00 14.18 C +ATOM 706 O ILE A 97 21.708 23.434 11.231 1.00 14.31 O +ATOM 707 CB ILE A 97 19.599 25.220 10.392 1.00 15.05 C +ATOM 708 CG1 ILE A 97 18.968 26.373 9.605 1.00 12.69 C +ATOM 709 CG2 ILE A 97 18.548 24.710 11.385 1.00 17.65 C +ATOM 710 CD1 ILE A 97 17.701 25.987 8.836 1.00 13.76 C +ATOM 711 N THR A 98 21.794 24.582 13.152 1.00 12.84 N +ATOM 712 CA THR A 98 22.349 23.442 13.861 1.00 11.52 C +ATOM 713 C THR A 98 21.272 22.571 14.503 1.00 13.18 C +ATOM 714 O THR A 98 20.340 23.071 15.131 1.00 14.36 O +ATOM 715 CB THR A 98 23.330 23.882 14.944 1.00 12.53 C +ATOM 716 OG1 THR A 98 23.874 22.726 15.587 1.00 13.03 O +ATOM 717 CG2 THR A 98 22.622 24.761 15.947 1.00 12.59 C +ATOM 718 N PRO A 99 21.335 21.257 14.249 1.00 12.16 N +ATOM 719 CA PRO A 99 20.355 20.335 14.823 1.00 13.52 C +ATOM 720 C PRO A 99 20.863 19.716 16.161 1.00 12.16 C +ATOM 721 O PRO A 99 20.208 18.856 16.727 1.00 14.64 O +ATOM 722 CB PRO A 99 20.260 19.253 13.752 1.00 10.67 C +ATOM 723 CG PRO A 99 21.724 19.121 13.292 1.00 11.42 C +ATOM 724 CD PRO A 99 22.195 20.579 13.242 1.00 11.16 C +ATOM 725 N ALA A 100 22.006 20.166 16.658 1.00 12.59 N +ATOM 726 CA ALA A 100 22.555 19.547 17.843 1.00 14.25 C +ATOM 727 C ALA A 100 23.312 20.399 18.823 1.00 15.00 C +ATOM 728 O ALA A 100 23.379 20.013 19.981 1.00 18.65 O +ATOM 729 CB ALA A 100 23.412 18.384 17.446 1.00 13.62 C +ATOM 730 N ALA A 101 23.927 21.492 18.382 1.00 14.27 N +ATOM 731 CA ALA A 101 24.721 22.355 19.282 1.00 15.79 C +ATOM 732 C ALA A 101 23.808 23.011 20.326 1.00 16.12 C +ATOM 733 O ALA A 101 22.858 23.704 19.971 1.00 15.03 O +ATOM 734 CB ALA A 101 25.481 23.428 18.472 1.00 14.77 C +ATOM 735 N THR A 102 24.112 22.805 21.605 1.00 16.19 N +ATOM 736 CA THR A 102 23.280 23.332 22.663 1.00 15.88 C +ATOM 737 C THR A 102 23.876 24.440 23.514 1.00 18.26 C +ATOM 738 O THR A 102 23.166 24.965 24.401 1.00 19.84 O +ATOM 739 CB THR A 102 22.847 22.204 23.593 1.00 16.18 C +ATOM 740 OG1 THR A 102 24.014 21.500 24.040 1.00 19.55 O +ATOM 741 CG2 THR A 102 21.947 21.220 22.869 1.00 16.23 C +ATOM 742 N ALA A 103 25.142 24.810 23.298 1.00 17.41 N +ATOM 743 CA ALA A 103 25.745 25.895 24.104 1.00 18.40 C +ATOM 744 C ALA A 103 24.962 27.182 23.939 1.00 20.22 C +ATOM 745 O ALA A 103 24.825 27.685 22.836 1.00 20.77 O +ATOM 746 CB ALA A 103 27.187 26.126 23.725 1.00 18.72 C +ATOM 747 N PRO A 104 24.516 27.796 25.045 1.00 20.79 N +ATOM 748 CA PRO A 104 23.745 29.032 24.899 1.00 19.09 C +ATOM 749 C PRO A 104 24.470 30.176 24.206 1.00 18.21 C +ATOM 750 O PRO A 104 23.830 30.996 23.568 1.00 18.53 O +ATOM 751 CB PRO A 104 23.413 29.411 26.351 1.00 22.38 C +ATOM 752 CG PRO A 104 23.458 28.082 27.087 1.00 22.03 C +ATOM 753 CD PRO A 104 24.676 27.436 26.470 1.00 21.85 C +ATOM 754 N GLU A 105 25.795 30.227 24.334 1.00 18.18 N +ATOM 755 CA GLU A 105 26.582 31.316 23.773 1.00 21.98 C +ATOM 756 C GLU A 105 26.502 31.449 22.263 1.00 22.19 C +ATOM 757 O GLU A 105 26.718 32.531 21.729 1.00 20.70 O +ATOM 758 CB GLU A 105 28.049 31.237 24.196 1.00 27.50 C +ATOM 759 CG GLU A 105 28.701 29.872 24.051 1.00 38.34 C +ATOM 760 CD GLU A 105 28.712 29.023 25.351 1.00 45.20 C +ATOM 761 OE1 GLU A 105 29.738 28.318 25.561 1.00 50.73 O +ATOM 762 OE2 GLU A 105 27.718 29.024 26.139 1.00 45.05 O +ATOM 763 N LEU A 106 26.139 30.358 21.596 1.00 22.00 N +ATOM 764 CA LEU A 106 26.016 30.336 20.145 1.00 22.12 C +ATOM 765 C LEU A 106 25.065 31.441 19.655 1.00 20.97 C +ATOM 766 O LEU A 106 25.414 32.191 18.739 1.00 22.48 O +ATOM 767 CB LEU A 106 25.553 28.949 19.673 1.00 22.63 C +ATOM 768 CG LEU A 106 25.404 28.762 18.161 1.00 23.58 C +ATOM 769 CD1 LEU A 106 26.776 28.847 17.510 1.00 24.28 C +ATOM 770 CD2 LEU A 106 24.779 27.422 17.866 1.00 23.66 C +ATOM 771 N THR A 107 23.930 31.606 20.336 1.00 18.49 N +ATOM 772 CA THR A 107 22.934 32.596 19.955 1.00 18.11 C +ATOM 773 C THR A 107 22.866 33.843 20.841 1.00 21.69 C +ATOM 774 O THR A 107 21.881 34.599 20.805 1.00 23.82 O +ATOM 775 CB THR A 107 21.559 31.943 19.921 1.00 19.73 C +ATOM 776 OG1 THR A 107 21.298 31.316 21.187 1.00 18.42 O +ATOM 777 CG2 THR A 107 21.522 30.866 18.832 1.00 14.24 C +ATOM 778 N ALA A 108 23.946 34.100 21.566 1.00 21.93 N +ATOM 779 CA ALA A 108 24.011 35.234 22.487 1.00 24.39 C +ATOM 780 C ALA A 108 24.909 36.352 21.975 1.00 25.74 C +ATOM 781 O ALA A 108 25.204 37.294 22.702 1.00 28.39 O +ATOM 782 CB ALA A 108 24.541 34.738 23.831 1.00 23.05 C +ATOM 783 N ARG A 109 25.310 36.274 20.709 1.00 24.93 N +ATOM 784 CA ARG A 109 26.225 37.246 20.150 1.00 21.86 C +ATOM 785 C ARG A 109 25.663 38.198 19.130 1.00 22.98 C +ATOM 786 O ARG A 109 26.426 38.923 18.503 1.00 26.43 O +ATOM 787 CB ARG A 109 27.429 36.514 19.608 1.00 19.16 C +ATOM 788 CG ARG A 109 28.089 35.652 20.675 1.00 21.36 C +ATOM 789 CD ARG A 109 29.028 34.643 20.088 1.00 23.53 C +ATOM 790 NE ARG A 109 28.306 33.687 19.255 1.00 25.14 N +ATOM 791 CZ ARG A 109 28.817 33.083 18.176 1.00 25.00 C +ATOM 792 NH1 ARG A 109 28.074 32.222 17.490 1.00 19.92 N +ATOM 793 NH2 ARG A 109 30.061 33.339 17.784 1.00 23.51 N +ATOM 794 N GLY A 110 24.345 38.195 18.946 1.00 24.01 N +ATOM 795 CA GLY A 110 23.720 39.118 18.005 1.00 24.55 C +ATOM 796 C GLY A 110 23.653 38.666 16.554 1.00 24.99 C +ATOM 797 O GLY A 110 23.194 39.418 15.680 1.00 26.78 O +ATOM 798 N TYR A 111 24.077 37.431 16.293 1.00 25.17 N +ATOM 799 CA TYR A 111 24.066 36.880 14.931 1.00 22.26 C +ATOM 800 C TYR A 111 22.639 36.713 14.394 1.00 22.14 C +ATOM 801 O TYR A 111 21.717 36.349 15.132 1.00 22.17 O +ATOM 802 CB TYR A 111 24.844 35.554 14.887 1.00 21.21 C +ATOM 803 CG TYR A 111 26.354 35.722 15.038 1.00 19.11 C +ATOM 804 CD1 TYR A 111 27.215 34.646 14.878 1.00 18.44 C +ATOM 805 CD2 TYR A 111 26.914 36.975 15.301 1.00 18.98 C +ATOM 806 CE1 TYR A 111 28.609 34.814 14.969 1.00 19.12 C +ATOM 807 CE2 TYR A 111 28.284 37.145 15.402 1.00 19.24 C +ATOM 808 CZ TYR A 111 29.125 36.068 15.236 1.00 18.06 C +ATOM 809 OH TYR A 111 30.484 36.250 15.365 1.00 19.41 O +ATOM 810 N GLN A 112 22.476 36.941 13.093 1.00 21.22 N +ATOM 811 CA GLN A 112 21.174 36.877 12.436 1.00 21.01 C +ATOM 812 C GLN A 112 20.911 35.654 11.584 1.00 20.02 C +ATOM 813 O GLN A 112 19.766 35.388 11.194 1.00 20.84 O +ATOM 814 CB GLN A 112 21.058 38.041 11.476 1.00 24.70 C +ATOM 815 CG GLN A 112 21.882 39.228 11.831 1.00 34.25 C +ATOM 816 CD GLN A 112 21.091 40.217 12.630 1.00 39.85 C +ATOM 817 OE1 GLN A 112 20.107 39.856 13.299 1.00 42.25 O +ATOM 818 NE2 GLN A 112 21.487 41.495 12.550 1.00 46.31 N +ATOM 819 N LEU A 113 21.970 34.941 11.241 1.00 19.36 N +ATOM 820 CA LEU A 113 21.855 33.802 10.351 1.00 17.79 C +ATOM 821 C LEU A 113 22.010 32.459 11.035 1.00 18.74 C +ATOM 822 O LEU A 113 22.303 31.464 10.367 1.00 19.64 O +ATOM 823 CB LEU A 113 22.915 33.959 9.254 1.00 17.00 C +ATOM 824 CG LEU A 113 22.732 35.175 8.327 1.00 20.08 C +ATOM 825 CD1 LEU A 113 23.923 35.301 7.437 1.00 19.06 C +ATOM 826 CD2 LEU A 113 21.484 35.048 7.477 1.00 19.60 C +ATOM 827 N ILE A 114 21.848 32.420 12.358 1.00 17.09 N +ATOM 828 CA ILE A 114 21.996 31.173 13.123 1.00 17.52 C +ATOM 829 C ILE A 114 20.645 30.771 13.685 1.00 16.22 C +ATOM 830 O ILE A 114 19.942 31.608 14.223 1.00 17.46 O +ATOM 831 CB ILE A 114 22.915 31.356 14.361 1.00 19.23 C +ATOM 832 CG1 ILE A 114 24.230 32.022 13.978 1.00 25.24 C +ATOM 833 CG2 ILE A 114 23.219 30.020 14.994 1.00 21.23 C +ATOM 834 CD1 ILE A 114 25.110 31.201 13.069 1.00 28.42 C +ATOM 835 N LEU A 115 20.278 29.505 13.546 1.00 16.31 N +ATOM 836 CA LEU A 115 19.025 28.972 14.088 1.00 16.49 C +ATOM 837 C LEU A 115 19.325 27.590 14.645 1.00 17.33 C +ATOM 838 O LEU A 115 20.350 26.975 14.277 1.00 16.29 O +ATOM 839 CB LEU A 115 17.951 28.818 13.014 1.00 19.58 C +ATOM 840 CG LEU A 115 17.382 30.122 12.478 1.00 22.80 C +ATOM 841 CD1 LEU A 115 18.333 30.697 11.442 1.00 27.54 C +ATOM 842 CD2 LEU A 115 16.065 29.859 11.829 1.00 26.06 C +ATOM 843 N ARG A 116 18.455 27.087 15.522 1.00 14.79 N +ATOM 844 CA ARG A 116 18.662 25.746 16.060 1.00 12.96 C +ATOM 845 C ARG A 116 17.382 24.983 15.893 1.00 11.12 C +ATOM 846 O ARG A 116 16.320 25.589 15.804 1.00 15.90 O +ATOM 847 CB ARG A 116 18.956 25.769 17.573 1.00 14.75 C +ATOM 848 CG ARG A 116 19.993 26.754 18.049 1.00 15.58 C +ATOM 849 CD ARG A 116 20.471 26.350 19.439 1.00 16.80 C +ATOM 850 NE ARG A 116 20.951 27.492 20.209 1.00 14.51 N +ATOM 851 CZ ARG A 116 22.058 27.499 20.934 1.00 14.66 C +ATOM 852 NH1 ARG A 116 22.396 28.596 21.601 1.00 15.79 N +ATOM 853 NH2 ARG A 116 22.851 26.448 20.934 1.00 13.72 N +ATOM 854 N THR A 117 17.472 23.667 15.812 1.00 11.68 N +ATOM 855 CA THR A 117 16.274 22.835 15.759 1.00 13.20 C +ATOM 856 C THR A 117 16.402 21.812 16.904 1.00 13.43 C +ATOM 857 O THR A 117 15.874 20.706 16.859 1.00 13.90 O +ATOM 858 CB THR A 117 15.970 22.167 14.363 1.00 13.63 C +ATOM 859 OG1 THR A 117 17.086 21.387 13.923 1.00 14.42 O +ATOM 860 CG2 THR A 117 15.608 23.218 13.323 1.00 13.41 C +ATOM 861 N THR A 118 17.208 22.169 17.890 1.00 14.90 N +ATOM 862 CA THR A 118 17.355 21.344 19.081 1.00 16.74 C +ATOM 863 C THR A 118 16.959 22.235 20.256 1.00 15.68 C +ATOM 864 O THR A 118 17.208 23.448 20.230 1.00 17.32 O +ATOM 865 CB THR A 118 18.795 20.847 19.362 1.00 18.02 C +ATOM 866 OG1 THR A 118 18.781 20.087 20.576 1.00 21.39 O +ATOM 867 CG2 THR A 118 19.793 21.983 19.512 1.00 14.93 C +ATOM 868 N GLY A 119 16.256 21.664 21.226 1.00 16.34 N +ATOM 869 CA GLY A 119 15.912 22.430 22.419 1.00 16.11 C +ATOM 870 C GLY A 119 17.164 22.530 23.292 1.00 17.64 C +ATOM 871 O GLY A 119 18.126 21.777 23.131 1.00 16.80 O +ATOM 872 N LEU A 120 17.125 23.429 24.263 1.00 18.40 N +ATOM 873 CA LEU A 120 18.245 23.690 25.165 1.00 17.93 C +ATOM 874 C LEU A 120 17.866 23.185 26.559 1.00 19.79 C +ATOM 875 O LEU A 120 16.676 23.111 26.868 1.00 17.30 O +ATOM 876 CB LEU A 120 18.460 25.200 25.241 1.00 17.03 C +ATOM 877 CG LEU A 120 18.741 25.943 23.941 1.00 18.95 C +ATOM 878 CD1 LEU A 120 18.901 27.406 24.189 1.00 19.10 C +ATOM 879 CD2 LEU A 120 19.991 25.381 23.341 1.00 21.39 C +ATOM 880 N ASP A 121 18.857 22.886 27.402 1.00 20.55 N +ATOM 881 CA ASP A 121 18.571 22.403 28.776 1.00 24.75 C +ATOM 882 C ASP A 121 17.595 23.295 29.497 1.00 22.62 C +ATOM 883 O ASP A 121 16.684 22.816 30.146 1.00 25.98 O +ATOM 884 CB ASP A 121 19.826 22.348 29.640 1.00 29.15 C +ATOM 885 CG ASP A 121 20.520 21.040 29.562 1.00 31.75 C +ATOM 886 OD1 ASP A 121 19.847 19.989 29.513 1.00 35.15 O +ATOM 887 OD2 ASP A 121 21.760 21.070 29.548 1.00 38.26 O +ATOM 888 N SER A 122 17.795 24.597 29.367 1.00 23.41 N +ATOM 889 CA SER A 122 16.942 25.579 29.996 1.00 23.99 C +ATOM 890 C SER A 122 15.459 25.402 29.690 1.00 24.24 C +ATOM 891 O SER A 122 14.621 25.882 30.453 1.00 25.80 O +ATOM 892 CB SER A 122 17.396 26.980 29.607 1.00 24.03 C +ATOM 893 OG SER A 122 17.233 27.205 28.209 1.00 24.51 O +ATOM 894 N ASP A 123 15.109 24.748 28.578 1.00 22.87 N +ATOM 895 CA ASP A 123 13.688 24.557 28.258 1.00 20.62 C +ATOM 896 C ASP A 123 13.001 23.567 29.199 1.00 19.01 C +ATOM 897 O ASP A 123 11.793 23.443 29.181 1.00 18.95 O +ATOM 898 CB ASP A 123 13.487 24.122 26.794 1.00 20.72 C +ATOM 899 CG ASP A 123 13.858 25.229 25.792 1.00 24.94 C +ATOM 900 OD1 ASP A 123 14.541 24.933 24.782 1.00 21.19 O +ATOM 901 OD2 ASP A 123 13.468 26.400 26.014 1.00 23.51 O +ATOM 902 N GLN A 124 13.771 22.838 29.997 1.00 18.40 N +ATOM 903 CA GLN A 124 13.177 21.877 30.923 1.00 18.02 C +ATOM 904 C GLN A 124 12.478 22.598 32.091 1.00 18.89 C +ATOM 905 O GLN A 124 11.581 22.034 32.706 1.00 18.75 O +ATOM 906 CB GLN A 124 14.250 20.942 31.470 1.00 19.27 C +ATOM 907 CG GLN A 124 14.895 20.046 30.447 1.00 19.32 C +ATOM 908 CD GLN A 124 15.877 19.123 31.073 1.00 21.09 C +ATOM 909 OE1 GLN A 124 15.492 18.119 31.670 1.00 22.90 O +ATOM 910 NE2 GLN A 124 17.157 19.469 30.997 1.00 19.20 N +ATOM 911 N GLY A 125 12.941 23.809 32.410 1.00 20.16 N +ATOM 912 CA GLY A 125 12.342 24.636 33.465 1.00 20.16 C +ATOM 913 C GLY A 125 10.887 24.934 33.134 1.00 21.16 C +ATOM 914 O GLY A 125 9.983 24.525 33.876 1.00 21.75 O +ATOM 915 N PRO A 126 10.617 25.689 32.042 1.00 21.25 N +ATOM 916 CA PRO A 126 9.246 26.015 31.634 1.00 18.35 C +ATOM 917 C PRO A 126 8.411 24.761 31.397 1.00 18.22 C +ATOM 918 O PRO A 126 7.229 24.737 31.693 1.00 20.05 O +ATOM 919 CB PRO A 126 9.459 26.787 30.340 1.00 19.20 C +ATOM 920 CG PRO A 126 10.722 27.516 30.593 1.00 18.68 C +ATOM 921 CD PRO A 126 11.595 26.497 31.279 1.00 19.27 C +ATOM 922 N THR A 127 9.007 23.693 30.879 1.00 17.12 N +ATOM 923 CA THR A 127 8.244 22.466 30.655 1.00 17.52 C +ATOM 924 C THR A 127 7.707 21.944 32.007 1.00 18.85 C +ATOM 925 O THR A 127 6.532 21.596 32.126 1.00 19.60 O +ATOM 926 CB THR A 127 9.122 21.360 30.046 1.00 19.70 C +ATOM 927 OG1 THR A 127 9.677 21.813 28.798 1.00 18.81 O +ATOM 928 CG2 THR A 127 8.309 20.081 29.845 1.00 16.70 C +ATOM 929 N ALA A 128 8.588 21.852 33.005 1.00 17.57 N +ATOM 930 CA ALA A 128 8.186 21.375 34.338 1.00 18.66 C +ATOM 931 C ALA A 128 7.102 22.257 34.964 1.00 17.29 C +ATOM 932 O ALA A 128 6.077 21.753 35.398 1.00 18.83 O +ATOM 933 CB ALA A 128 9.394 21.308 35.265 1.00 17.77 C +ATOM 934 N ALA A 129 7.344 23.561 35.016 1.00 16.88 N +ATOM 935 CA ALA A 129 6.400 24.508 35.606 1.00 21.44 C +ATOM 936 C ALA A 129 5.020 24.380 35.004 1.00 24.22 C +ATOM 937 O ALA A 129 4.021 24.390 35.729 1.00 25.22 O +ATOM 938 CB ALA A 129 6.906 25.943 35.448 1.00 20.13 C +ATOM 939 N LYS A 130 4.961 24.217 33.681 1.00 26.30 N +ATOM 940 CA LYS A 130 3.685 24.099 32.975 1.00 27.04 C +ATOM 941 C LYS A 130 2.959 22.832 33.330 1.00 25.24 C +ATOM 942 O LYS A 130 1.741 22.845 33.471 1.00 28.83 O +ATOM 943 CB LYS A 130 3.886 24.139 31.459 1.00 30.65 C +ATOM 944 CG LYS A 130 2.660 24.675 30.731 1.00 38.31 C +ATOM 945 CD LYS A 130 2.834 24.682 29.228 1.00 41.97 C +ATOM 946 CE LYS A 130 2.478 23.331 28.674 1.00 45.56 C +ATOM 947 NZ LYS A 130 1.151 22.903 29.200 1.00 49.91 N +ATOM 948 N TYR A 131 3.701 21.732 33.430 1.00 22.28 N +ATOM 949 CA TYR A 131 3.120 20.451 33.769 1.00 20.73 C +ATOM 950 C TYR A 131 2.606 20.464 35.218 1.00 20.82 C +ATOM 951 O TYR A 131 1.569 19.879 35.534 1.00 22.06 O +ATOM 952 CB TYR A 131 4.154 19.351 33.565 1.00 20.33 C +ATOM 953 CG TYR A 131 3.597 17.976 33.792 1.00 21.76 C +ATOM 954 CD1 TYR A 131 3.714 17.355 35.034 1.00 21.00 C +ATOM 955 CD2 TYR A 131 2.883 17.327 32.794 1.00 20.08 C +ATOM 956 CE1 TYR A 131 3.119 16.123 35.282 1.00 23.46 C +ATOM 957 CE2 TYR A 131 2.288 16.102 33.027 1.00 23.12 C +ATOM 958 CZ TYR A 131 2.405 15.506 34.282 1.00 23.94 C +ATOM 959 OH TYR A 131 1.766 14.318 34.560 1.00 27.89 O +ATOM 960 N ILE A 132 3.325 21.139 36.103 1.00 20.32 N +ATOM 961 CA ILE A 132 2.913 21.218 37.497 1.00 21.96 C +ATOM 962 C ILE A 132 1.593 22.002 37.615 1.00 24.93 C +ATOM 963 O ILE A 132 0.612 21.517 38.187 1.00 25.84 O +ATOM 964 CB ILE A 132 4.010 21.882 38.341 1.00 22.89 C +ATOM 965 CG1 ILE A 132 5.245 20.972 38.375 1.00 19.98 C +ATOM 966 CG2 ILE A 132 3.487 22.218 39.760 1.00 21.75 C +ATOM 967 CD1 ILE A 132 6.491 21.672 38.906 1.00 18.78 C +ATOM 968 N LEU A 133 1.571 23.190 37.030 1.00 26.56 N +ATOM 969 CA LEU A 133 0.411 24.069 37.036 1.00 27.94 C +ATOM 970 C LEU A 133 -0.808 23.485 36.366 1.00 31.13 C +ATOM 971 O LEU A 133 -1.926 23.756 36.802 1.00 33.82 O +ATOM 972 CB LEU A 133 0.752 25.375 36.323 1.00 25.87 C +ATOM 973 CG LEU A 133 1.706 26.307 37.055 1.00 26.67 C +ATOM 974 CD1 LEU A 133 1.937 27.594 36.259 1.00 26.25 C +ATOM 975 CD2 LEU A 133 1.091 26.624 38.390 1.00 26.46 C +ATOM 976 N GLU A 134 -0.606 22.729 35.283 1.00 32.99 N +ATOM 977 CA GLU A 134 -1.706 22.152 34.521 1.00 33.22 C +ATOM 978 C GLU A 134 -2.170 20.758 34.819 1.00 32.96 C +ATOM 979 O GLU A 134 -3.366 20.497 34.746 1.00 35.04 O +ATOM 980 CB GLU A 134 -1.423 22.253 33.031 1.00 36.49 C +ATOM 981 CG GLU A 134 -1.362 23.680 32.553 1.00 41.43 C +ATOM 982 CD GLU A 134 -1.063 23.778 31.090 1.00 45.88 C +ATOM 983 OE1 GLU A 134 -0.411 24.769 30.681 1.00 49.53 O +ATOM 984 OE2 GLU A 134 -1.483 22.863 30.342 1.00 49.23 O +ATOM 985 N LYS A 135 -1.246 19.841 35.066 1.00 31.60 N +ATOM 986 CA LYS A 135 -1.623 18.465 35.346 1.00 33.18 C +ATOM 987 C LYS A 135 -1.538 18.040 36.801 1.00 33.96 C +ATOM 988 O LYS A 135 -2.337 17.235 37.241 1.00 36.10 O +ATOM 989 CB LYS A 135 -0.786 17.487 34.526 1.00 34.82 C +ATOM 990 CG LYS A 135 -1.337 17.139 33.162 1.00 40.79 C +ATOM 991 CD LYS A 135 -1.307 18.331 32.225 1.00 44.52 C +ATOM 992 CE LYS A 135 -2.069 18.024 30.943 1.00 48.19 C +ATOM 993 NZ LYS A 135 -1.587 16.757 30.291 1.00 51.24 N +ATOM 994 N VAL A 136 -0.557 18.531 37.544 1.00 33.72 N +ATOM 995 CA VAL A 136 -0.421 18.097 38.928 1.00 32.89 C +ATOM 996 C VAL A 136 -1.263 18.956 39.872 1.00 33.66 C +ATOM 997 O VAL A 136 -2.086 18.428 40.607 1.00 34.73 O +ATOM 998 CB VAL A 136 1.087 18.037 39.374 1.00 32.29 C +ATOM 999 CG1 VAL A 136 1.228 17.371 40.731 1.00 27.50 C +ATOM 1000 CG2 VAL A 136 1.913 17.267 38.354 1.00 30.42 C +ATOM 1001 N LYS A 137 -1.082 20.270 39.823 1.00 34.14 N +ATOM 1002 CA LYS A 137 -1.816 21.191 40.678 1.00 35.80 C +ATOM 1003 C LYS A 137 -1.637 20.854 42.174 1.00 35.65 C +ATOM 1004 O LYS A 137 -2.617 20.664 42.914 1.00 38.05 O +ATOM 1005 CB LYS A 137 -3.299 21.144 40.302 1.00 38.84 C +ATOM 1006 CG LYS A 137 -3.558 21.483 38.859 1.00 42.07 C +ATOM 1007 CD LYS A 137 -5.036 21.511 38.569 1.00 45.92 C +ATOM 1008 CE LYS A 137 -5.284 21.818 37.086 1.00 48.01 C +ATOM 1009 NZ LYS A 137 -4.798 23.182 36.723 1.00 48.94 N +ATOM 1010 N PRO A 138 -0.385 20.814 42.655 1.00 33.12 N +ATOM 1011 CA PRO A 138 -0.146 20.490 44.066 1.00 30.81 C +ATOM 1012 C PRO A 138 -0.536 21.637 44.987 1.00 30.78 C +ATOM 1013 O PRO A 138 -0.694 22.773 44.550 1.00 30.24 O +ATOM 1014 CB PRO A 138 1.344 20.240 44.091 1.00 29.46 C +ATOM 1015 CG PRO A 138 1.852 21.249 43.092 1.00 30.00 C +ATOM 1016 CD PRO A 138 0.859 21.209 41.972 1.00 29.63 C +ATOM 1017 N GLN A 139 -0.645 21.346 46.277 1.00 31.28 N +ATOM 1018 CA GLN A 139 -1.033 22.357 47.253 1.00 30.30 C +ATOM 1019 C GLN A 139 0.124 23.144 47.847 1.00 28.43 C +ATOM 1020 O GLN A 139 0.098 24.374 47.857 1.00 28.80 O +ATOM 1021 CB GLN A 139 -1.862 21.703 48.361 1.00 33.63 C +ATOM 1022 CG GLN A 139 -3.164 21.098 47.863 1.00 41.69 C +ATOM 1023 CD GLN A 139 -3.932 20.308 48.935 1.00 48.18 C +ATOM 1024 OE1 GLN A 139 -5.170 20.203 48.875 1.00 51.73 O +ATOM 1025 NE2 GLN A 139 -3.208 19.740 49.910 1.00 49.69 N +ATOM 1026 N ARG A 140 1.134 22.442 48.347 1.00 25.98 N +ATOM 1027 CA ARG A 140 2.289 23.087 48.970 1.00 25.84 C +ATOM 1028 C ARG A 140 3.542 22.529 48.303 1.00 24.38 C +ATOM 1029 O ARG A 140 3.819 21.343 48.406 1.00 25.04 O +ATOM 1030 CB ARG A 140 2.273 22.796 50.479 1.00 27.15 C +ATOM 1031 CG ARG A 140 0.935 23.241 51.139 1.00 29.06 C +ATOM 1032 CD ARG A 140 0.805 22.873 52.598 1.00 27.37 C +ATOM 1033 NE ARG A 140 1.919 23.379 53.394 1.00 29.06 N +ATOM 1034 CZ ARG A 140 2.100 24.653 53.753 1.00 29.36 C +ATOM 1035 NH1 ARG A 140 1.239 25.596 53.386 1.00 29.21 N +ATOM 1036 NH2 ARG A 140 3.140 24.973 54.517 1.00 30.64 N +ATOM 1037 N ILE A 141 4.291 23.393 47.636 1.00 22.27 N +ATOM 1038 CA ILE A 141 5.477 23.000 46.875 1.00 20.89 C +ATOM 1039 C ILE A 141 6.788 23.459 47.485 1.00 19.65 C +ATOM 1040 O ILE A 141 6.863 24.535 48.057 1.00 21.90 O +ATOM 1041 CB ILE A 141 5.390 23.644 45.426 1.00 22.72 C +ATOM 1042 CG1 ILE A 141 4.091 23.221 44.741 1.00 22.17 C +ATOM 1043 CG2 ILE A 141 6.612 23.299 44.563 1.00 20.04 C +ATOM 1044 CD1 ILE A 141 3.774 24.023 43.493 1.00 25.47 C +ATOM 1045 N ALA A 142 7.822 22.641 47.380 1.00 17.74 N +ATOM 1046 CA ALA A 142 9.132 23.046 47.841 1.00 16.21 C +ATOM 1047 C ALA A 142 10.011 22.829 46.621 1.00 16.38 C +ATOM 1048 O ALA A 142 9.767 21.911 45.850 1.00 14.09 O +ATOM 1049 CB ALA A 142 9.623 22.181 48.986 1.00 13.61 C +ATOM 1050 N ILE A 143 11.006 23.684 46.452 1.00 16.15 N +ATOM 1051 CA ILE A 143 11.942 23.575 45.342 1.00 17.65 C +ATOM 1052 C ILE A 143 13.292 23.442 46.003 1.00 18.91 C +ATOM 1053 O ILE A 143 13.672 24.291 46.820 1.00 20.31 O +ATOM 1054 CB ILE A 143 11.882 24.826 44.409 1.00 16.36 C +ATOM 1055 CG1 ILE A 143 10.516 24.870 43.720 1.00 17.66 C +ATOM 1056 CG2 ILE A 143 13.020 24.781 43.375 1.00 16.14 C +ATOM 1057 CD1 ILE A 143 10.213 26.164 43.004 1.00 22.35 C +ATOM 1058 N VAL A 144 14.034 22.410 45.621 1.00 16.66 N +ATOM 1059 CA VAL A 144 15.329 22.124 46.213 1.00 19.33 C +ATOM 1060 C VAL A 144 16.365 21.946 45.097 1.00 19.83 C +ATOM 1061 O VAL A 144 16.022 21.477 44.026 1.00 20.93 O +ATOM 1062 CB VAL A 144 15.230 20.820 47.047 1.00 17.52 C +ATOM 1063 CG1 VAL A 144 16.515 20.539 47.767 1.00 18.95 C +ATOM 1064 CG2 VAL A 144 14.080 20.918 48.040 1.00 19.37 C +ATOM 1065 N HIS A 145 17.606 22.353 45.330 1.00 19.74 N +ATOM 1066 CA HIS A 145 18.650 22.202 44.320 1.00 22.67 C +ATOM 1067 C HIS A 145 19.977 21.882 44.989 1.00 23.88 C +ATOM 1068 O HIS A 145 20.097 22.025 46.195 1.00 24.84 O +ATOM 1069 CB HIS A 145 18.762 23.470 43.467 1.00 21.18 C +ATOM 1070 CG HIS A 145 19.098 24.694 44.252 1.00 21.04 C +ATOM 1071 ND1 HIS A 145 20.396 25.106 44.476 1.00 21.74 N +ATOM 1072 CD2 HIS A 145 18.307 25.618 44.850 1.00 23.79 C +ATOM 1073 CE1 HIS A 145 20.389 26.225 45.174 1.00 24.20 C +ATOM 1074 NE2 HIS A 145 19.135 26.558 45.411 1.00 23.22 N +ATOM 1075 N ASP A 146 20.990 21.512 44.205 1.00 25.64 N +ATOM 1076 CA ASP A 146 22.299 21.159 44.763 1.00 26.23 C +ATOM 1077 C ASP A 146 23.358 22.249 44.641 1.00 27.85 C +ATOM 1078 O ASP A 146 24.558 21.970 44.650 1.00 27.39 O +ATOM 1079 CB ASP A 146 22.819 19.838 44.171 1.00 23.52 C +ATOM 1080 CG ASP A 146 23.150 19.943 42.694 1.00 22.67 C +ATOM 1081 OD1 ASP A 146 23.607 18.927 42.110 1.00 23.34 O +ATOM 1082 OD2 ASP A 146 22.954 21.034 42.120 1.00 20.12 O +ATOM 1083 N LYS A 147 22.904 23.476 44.425 1.00 30.01 N +ATOM 1084 CA LYS A 147 23.803 24.626 44.348 1.00 33.16 C +ATOM 1085 C LYS A 147 24.738 24.666 43.154 1.00 34.19 C +ATOM 1086 O LYS A 147 25.561 25.580 43.033 1.00 35.89 O +ATOM 1087 CB LYS A 147 24.635 24.733 45.625 1.00 33.83 C +ATOM 1088 CG LYS A 147 23.823 25.033 46.869 1.00 35.89 C +ATOM 1089 CD LYS A 147 24.701 24.818 48.069 1.00 38.02 C +ATOM 1090 CE LYS A 147 24.107 25.415 49.302 1.00 39.57 C +ATOM 1091 NZ LYS A 147 25.116 25.286 50.395 1.00 43.19 N +ATOM 1092 N GLN A 148 24.619 23.684 42.276 1.00 33.55 N +ATOM 1093 CA GLN A 148 25.453 23.657 41.101 1.00 34.36 C +ATOM 1094 C GLN A 148 24.696 24.378 39.992 1.00 32.91 C +ATOM 1095 O GLN A 148 23.479 24.559 40.076 1.00 31.64 O +ATOM 1096 CB GLN A 148 25.809 22.210 40.745 1.00 37.82 C +ATOM 1097 CG GLN A 148 26.442 21.454 41.924 1.00 42.30 C +ATOM 1098 CD GLN A 148 27.161 20.168 41.505 1.00 47.16 C +ATOM 1099 OE1 GLN A 148 28.363 20.185 41.182 1.00 50.23 O +ATOM 1100 NE2 GLN A 148 26.440 19.047 41.524 1.00 47.10 N +ATOM 1101 N GLN A 149 25.433 24.820 38.979 1.00 32.74 N +ATOM 1102 CA GLN A 149 24.870 25.562 37.846 1.00 31.29 C +ATOM 1103 C GLN A 149 23.646 24.957 37.202 1.00 26.76 C +ATOM 1104 O GLN A 149 22.656 25.641 36.964 1.00 24.05 O +ATOM 1105 CB GLN A 149 25.946 25.784 36.774 1.00 35.88 C +ATOM 1106 CG GLN A 149 26.964 24.615 36.629 1.00 44.77 C +ATOM 1107 CD GLN A 149 26.396 23.340 35.970 1.00 48.59 C +ATOM 1108 OE1 GLN A 149 25.798 23.399 34.884 1.00 52.54 O +ATOM 1109 NE2 GLN A 149 26.605 22.182 36.615 1.00 49.05 N +ATOM 1110 N TYR A 150 23.724 23.667 36.930 1.00 24.40 N +ATOM 1111 CA TYR A 150 22.640 22.956 36.275 1.00 25.40 C +ATOM 1112 C TYR A 150 21.352 22.943 37.115 1.00 25.56 C +ATOM 1113 O TYR A 150 20.298 23.453 36.692 1.00 25.21 O +ATOM 1114 CB TYR A 150 23.106 21.530 35.979 1.00 23.67 C +ATOM 1115 CG TYR A 150 22.072 20.611 35.340 1.00 24.93 C +ATOM 1116 CD1 TYR A 150 21.726 20.743 33.992 1.00 24.23 C +ATOM 1117 CD2 TYR A 150 21.497 19.562 36.068 1.00 22.04 C +ATOM 1118 CE1 TYR A 150 20.837 19.845 33.384 1.00 24.46 C +ATOM 1119 CE2 TYR A 150 20.612 18.667 35.471 1.00 23.71 C +ATOM 1120 CZ TYR A 150 20.287 18.812 34.134 1.00 24.23 C +ATOM 1121 OH TYR A 150 19.409 17.919 33.553 1.00 24.82 O +ATOM 1122 N GLY A 151 21.448 22.328 38.293 1.00 27.20 N +ATOM 1123 CA GLY A 151 20.307 22.215 39.188 1.00 24.91 C +ATOM 1124 C GLY A 151 19.742 23.545 39.621 1.00 23.45 C +ATOM 1125 O GLY A 151 18.530 23.765 39.534 1.00 24.62 O +ATOM 1126 N GLU A 152 20.609 24.453 40.056 1.00 23.37 N +ATOM 1127 CA GLU A 152 20.140 25.744 40.497 1.00 23.58 C +ATOM 1128 C GLU A 152 19.452 26.585 39.408 1.00 24.07 C +ATOM 1129 O GLU A 152 18.413 27.200 39.663 1.00 23.80 O +ATOM 1130 CB GLU A 152 21.254 26.533 41.179 1.00 26.00 C +ATOM 1131 CG GLU A 152 20.713 27.869 41.687 1.00 31.39 C +ATOM 1132 CD GLU A 152 21.561 28.520 42.753 1.00 35.74 C +ATOM 1133 OE1 GLU A 152 22.686 28.036 43.047 1.00 36.14 O +ATOM 1134 OE2 GLU A 152 21.066 29.522 43.313 1.00 39.19 O +ATOM 1135 N GLY A 153 20.013 26.629 38.203 1.00 22.76 N +ATOM 1136 CA GLY A 153 19.381 27.415 37.159 1.00 19.92 C +ATOM 1137 C GLY A 153 17.992 26.893 36.880 1.00 18.99 C +ATOM 1138 O GLY A 153 17.035 27.665 36.752 1.00 20.46 O +ATOM 1139 N LEU A 154 17.879 25.564 36.815 1.00 20.62 N +ATOM 1140 CA LEU A 154 16.601 24.891 36.561 1.00 20.85 C +ATOM 1141 C LEU A 154 15.602 25.122 37.676 1.00 21.82 C +ATOM 1142 O LEU A 154 14.429 25.324 37.398 1.00 21.27 O +ATOM 1143 CB LEU A 154 16.784 23.390 36.353 1.00 21.43 C +ATOM 1144 CG LEU A 154 17.291 22.987 34.961 1.00 24.62 C +ATOM 1145 CD1 LEU A 154 17.631 21.533 34.907 1.00 22.31 C +ATOM 1146 CD2 LEU A 154 16.231 23.321 33.932 1.00 25.59 C +ATOM 1147 N ALA A 155 16.072 25.095 38.931 1.00 21.19 N +ATOM 1148 CA ALA A 155 15.191 25.310 40.086 1.00 20.22 C +ATOM 1149 C ALA A 155 14.620 26.724 40.057 1.00 20.51 C +ATOM 1150 O ALA A 155 13.441 26.914 40.324 1.00 21.40 O +ATOM 1151 CB ALA A 155 15.939 25.059 41.393 1.00 19.53 C +ATOM 1152 N ARG A 156 15.451 27.713 39.739 1.00 21.39 N +ATOM 1153 CA ARG A 156 14.987 29.099 39.655 1.00 24.49 C +ATOM 1154 C ARG A 156 13.986 29.335 38.521 1.00 25.40 C +ATOM 1155 O ARG A 156 13.009 30.079 38.685 1.00 24.84 O +ATOM 1156 CB ARG A 156 16.162 30.076 39.563 1.00 28.74 C +ATOM 1157 CG ARG A 156 16.991 30.074 40.820 1.00 36.59 C +ATOM 1158 CD ARG A 156 18.059 31.159 40.828 1.00 42.82 C +ATOM 1159 NE ARG A 156 18.836 31.124 42.077 1.00 46.43 N +ATOM 1160 CZ ARG A 156 18.370 31.524 43.262 1.00 47.22 C +ATOM 1161 NH1 ARG A 156 19.154 31.448 44.330 1.00 48.77 N +ATOM 1162 NH2 ARG A 156 17.127 32.001 43.383 1.00 46.06 N +ATOM 1163 N ALA A 157 14.196 28.689 37.375 1.00 24.07 N +ATOM 1164 CA ALA A 157 13.244 28.843 36.277 1.00 24.82 C +ATOM 1165 C ALA A 157 11.892 28.270 36.686 1.00 24.47 C +ATOM 1166 O ALA A 157 10.859 28.862 36.408 1.00 26.82 O +ATOM 1167 CB ALA A 157 13.743 28.151 35.032 1.00 25.05 C +ATOM 1168 N VAL A 158 11.896 27.116 37.345 1.00 23.73 N +ATOM 1169 CA VAL A 158 10.654 26.493 37.798 1.00 22.87 C +ATOM 1170 C VAL A 158 9.939 27.422 38.797 1.00 24.23 C +ATOM 1171 O VAL A 158 8.724 27.620 38.718 1.00 22.58 O +ATOM 1172 CB VAL A 158 10.929 25.115 38.446 1.00 22.87 C +ATOM 1173 CG1 VAL A 158 9.713 24.626 39.229 1.00 20.80 C +ATOM 1174 CG2 VAL A 158 11.286 24.110 37.346 1.00 20.55 C +ATOM 1175 N GLN A 159 10.711 28.020 39.701 1.00 24.94 N +ATOM 1176 CA GLN A 159 10.164 28.937 40.704 1.00 28.40 C +ATOM 1177 C GLN A 159 9.497 30.133 40.025 1.00 27.93 C +ATOM 1178 O GLN A 159 8.377 30.508 40.377 1.00 29.51 O +ATOM 1179 CB GLN A 159 11.277 29.408 41.625 1.00 29.26 C +ATOM 1180 CG GLN A 159 10.881 30.497 42.582 1.00 34.00 C +ATOM 1181 CD GLN A 159 12.078 31.004 43.353 1.00 37.70 C +ATOM 1182 OE1 GLN A 159 13.055 31.503 42.763 1.00 39.31 O +ATOM 1183 NE2 GLN A 159 12.034 30.859 44.683 1.00 40.69 N +ATOM 1184 N ASP A 160 10.187 30.745 39.076 1.00 29.33 N +ATOM 1185 CA ASP A 160 9.603 31.870 38.348 1.00 32.79 C +ATOM 1186 C ASP A 160 8.309 31.466 37.649 1.00 31.96 C +ATOM 1187 O ASP A 160 7.309 32.185 37.694 1.00 33.34 O +ATOM 1188 CB ASP A 160 10.582 32.416 37.312 1.00 37.70 C +ATOM 1189 CG ASP A 160 11.429 33.535 37.860 1.00 44.15 C +ATOM 1190 OD1 ASP A 160 12.541 33.266 38.378 1.00 46.14 O +ATOM 1191 OD2 ASP A 160 10.969 34.700 37.783 1.00 49.18 O +ATOM 1192 N GLY A 161 8.318 30.303 37.016 1.00 30.19 N +ATOM 1193 CA GLY A 161 7.138 29.845 36.323 1.00 28.70 C +ATOM 1194 C GLY A 161 5.981 29.583 37.257 1.00 29.76 C +ATOM 1195 O GLY A 161 4.834 29.941 36.959 1.00 27.83 O +ATOM 1196 N LEU A 162 6.286 29.006 38.417 1.00 28.89 N +ATOM 1197 CA LEU A 162 5.251 28.682 39.393 1.00 29.12 C +ATOM 1198 C LEU A 162 4.678 29.915 40.054 1.00 30.44 C +ATOM 1199 O LEU A 162 3.472 29.987 40.277 1.00 31.68 O +ATOM 1200 CB LEU A 162 5.766 27.675 40.444 1.00 26.46 C +ATOM 1201 CG LEU A 162 5.993 26.232 39.960 1.00 23.00 C +ATOM 1202 CD1 LEU A 162 6.485 25.378 41.104 1.00 22.23 C +ATOM 1203 CD2 LEU A 162 4.721 25.656 39.396 1.00 22.79 C +ATOM 1204 N LYS A 163 5.524 30.894 40.338 1.00 32.26 N +ATOM 1205 CA LYS A 163 5.060 32.114 40.972 1.00 35.89 C +ATOM 1206 C LYS A 163 4.096 32.800 40.025 1.00 38.16 C +ATOM 1207 O LYS A 163 2.982 33.169 40.410 1.00 39.52 O +ATOM 1208 CB LYS A 163 6.234 33.027 41.287 1.00 37.87 C +ATOM 1209 CG LYS A 163 7.129 32.482 42.391 1.00 42.10 C +ATOM 1210 CD LYS A 163 8.378 33.345 42.563 1.00 47.63 C +ATOM 1211 CE LYS A 163 8.019 34.801 42.916 1.00 49.95 C +ATOM 1212 NZ LYS A 163 9.217 35.690 42.892 1.00 52.02 N +ATOM 1213 N LYS A 164 4.493 32.867 38.760 1.00 38.65 N +ATOM 1214 CA LYS A 164 3.685 33.481 37.708 1.00 39.06 C +ATOM 1215 C LYS A 164 2.280 32.906 37.698 1.00 37.02 C +ATOM 1216 O LYS A 164 1.305 33.642 37.520 1.00 38.29 O +ATOM 1217 CB LYS A 164 4.340 33.240 36.344 1.00 42.06 C +ATOM 1218 CG LYS A 164 3.668 33.944 35.174 1.00 46.84 C +ATOM 1219 CD LYS A 164 4.439 35.198 34.753 1.00 49.60 C +ATOM 1220 CE LYS A 164 3.699 35.961 33.641 1.00 50.63 C +ATOM 1221 NZ LYS A 164 4.347 37.280 33.376 1.00 51.50 N +ATOM 1222 N GLY A 165 2.173 31.596 37.896 1.00 33.83 N +ATOM 1223 CA GLY A 165 0.866 30.956 37.891 1.00 33.25 C +ATOM 1224 C GLY A 165 0.163 30.953 39.239 1.00 33.05 C +ATOM 1225 O GLY A 165 -0.831 30.240 39.435 1.00 30.54 O +ATOM 1226 N ASN A 166 0.697 31.738 40.170 1.00 34.47 N +ATOM 1227 CA ASN A 166 0.151 31.842 41.517 1.00 37.22 C +ATOM 1228 C ASN A 166 0.151 30.512 42.255 1.00 38.19 C +ATOM 1229 O ASN A 166 -0.838 30.175 42.923 1.00 40.08 O +ATOM 1230 CB ASN A 166 -1.281 32.369 41.480 1.00 38.02 C +ATOM 1231 CG ASN A 166 -1.366 33.738 40.895 1.00 40.10 C +ATOM 1232 OD1 ASN A 166 -0.577 34.628 41.220 1.00 41.95 O +ATOM 1233 ND2 ASN A 166 -2.328 33.927 40.015 1.00 42.93 N +ATOM 1234 N ALA A 167 1.220 29.733 42.110 1.00 35.36 N +ATOM 1235 CA ALA A 167 1.295 28.453 42.795 1.00 32.04 C +ATOM 1236 C ALA A 167 1.862 28.671 44.219 1.00 29.75 C +ATOM 1237 O ALA A 167 2.570 29.642 44.469 1.00 29.10 O +ATOM 1238 CB ALA A 167 2.163 27.498 41.985 1.00 31.50 C +ATOM 1239 N ASN A 168 1.541 27.802 45.169 1.00 29.84 N +ATOM 1240 CA ASN A 168 2.089 28.014 46.519 1.00 29.95 C +ATOM 1241 C ASN A 168 3.430 27.341 46.794 1.00 27.95 C +ATOM 1242 O ASN A 168 3.487 26.191 47.204 1.00 26.66 O +ATOM 1243 CB ASN A 168 1.078 27.672 47.635 1.00 30.75 C +ATOM 1244 CG ASN A 168 1.640 27.922 49.054 1.00 31.60 C +ATOM 1245 OD1 ASN A 168 1.277 27.227 49.999 1.00 35.07 O +ATOM 1246 ND2 ASN A 168 2.542 28.890 49.192 1.00 32.10 N +ATOM 1247 N VAL A 169 4.505 28.080 46.556 1.00 26.61 N +ATOM 1248 CA VAL A 169 5.839 27.588 46.811 1.00 25.46 C +ATOM 1249 C VAL A 169 6.166 27.966 48.268 1.00 26.19 C +ATOM 1250 O VAL A 169 6.402 29.130 48.586 1.00 25.67 O +ATOM 1251 CB VAL A 169 6.856 28.219 45.830 1.00 26.91 C +ATOM 1252 CG1 VAL A 169 8.281 27.743 46.145 1.00 26.06 C +ATOM 1253 CG2 VAL A 169 6.461 27.889 44.376 1.00 23.39 C +ATOM 1254 N VAL A 170 6.109 26.981 49.156 1.00 26.24 N +ATOM 1255 CA VAL A 170 6.403 27.185 50.575 1.00 24.50 C +ATOM 1256 C VAL A 170 7.869 27.564 50.796 1.00 25.72 C +ATOM 1257 O VAL A 170 8.164 28.516 51.539 1.00 25.96 O +ATOM 1258 CB VAL A 170 6.055 25.935 51.381 1.00 23.84 C +ATOM 1259 CG1 VAL A 170 6.382 26.141 52.858 1.00 24.52 C +ATOM 1260 CG2 VAL A 170 4.607 25.622 51.205 1.00 24.64 C +ATOM 1261 N PHE A 171 8.795 26.833 50.172 1.00 24.11 N +ATOM 1262 CA PHE A 171 10.203 27.165 50.313 1.00 22.28 C +ATOM 1263 C PHE A 171 11.098 26.788 49.131 1.00 21.62 C +ATOM 1264 O PHE A 171 10.754 25.927 48.348 1.00 21.86 O +ATOM 1265 CB PHE A 171 10.785 26.621 51.626 1.00 21.73 C +ATOM 1266 CG PHE A 171 10.928 25.120 51.702 1.00 20.56 C +ATOM 1267 CD1 PHE A 171 9.955 24.348 52.306 1.00 20.62 C +ATOM 1268 CD2 PHE A 171 12.111 24.498 51.298 1.00 21.93 C +ATOM 1269 CE1 PHE A 171 10.150 22.986 52.523 1.00 21.27 C +ATOM 1270 CE2 PHE A 171 12.320 23.134 51.512 1.00 20.71 C +ATOM 1271 CZ PHE A 171 11.337 22.380 52.127 1.00 20.27 C +ATOM 1272 N PHE A 172 12.231 27.466 49.027 1.00 22.12 N +ATOM 1273 CA PHE A 172 13.226 27.243 47.985 1.00 24.38 C +ATOM 1274 C PHE A 172 14.556 27.055 48.758 1.00 25.38 C +ATOM 1275 O PHE A 172 14.973 27.945 49.518 1.00 27.00 O +ATOM 1276 CB PHE A 172 13.264 28.476 47.065 1.00 22.45 C +ATOM 1277 CG PHE A 172 14.324 28.418 45.989 1.00 25.33 C +ATOM 1278 CD1 PHE A 172 15.622 28.823 46.250 1.00 25.10 C +ATOM 1279 CD2 PHE A 172 14.023 27.940 44.723 1.00 24.51 C +ATOM 1280 CE1 PHE A 172 16.607 28.752 45.261 1.00 25.78 C +ATOM 1281 CE2 PHE A 172 14.995 27.866 43.748 1.00 22.48 C +ATOM 1282 CZ PHE A 172 16.284 28.268 44.013 1.00 23.64 C +ATOM 1283 N ASP A 173 15.216 25.912 48.609 1.00 23.79 N +ATOM 1284 CA ASP A 173 16.437 25.712 49.361 1.00 27.29 C +ATOM 1285 C ASP A 173 17.460 24.845 48.649 1.00 27.58 C +ATOM 1286 O ASP A 173 17.122 24.055 47.763 1.00 26.56 O +ATOM 1287 CB ASP A 173 16.091 25.100 50.730 1.00 31.74 C +ATOM 1288 CG ASP A 173 17.140 25.412 51.827 1.00 37.68 C +ATOM 1289 OD1 ASP A 173 17.767 26.506 51.819 1.00 36.97 O +ATOM 1290 OD2 ASP A 173 17.324 24.545 52.716 1.00 41.14 O +ATOM 1291 N GLY A 174 18.714 24.982 49.064 1.00 26.76 N +ATOM 1292 CA GLY A 174 19.789 24.220 48.468 1.00 28.26 C +ATOM 1293 C GLY A 174 20.464 23.254 49.406 1.00 28.58 C +ATOM 1294 O GLY A 174 20.521 23.459 50.615 1.00 30.76 O +ATOM 1295 N ILE A 175 20.939 22.163 48.851 1.00 28.25 N +ATOM 1296 CA ILE A 175 21.637 21.167 49.620 1.00 28.35 C +ATOM 1297 C ILE A 175 23.015 21.031 48.986 1.00 29.70 C +ATOM 1298 O ILE A 175 23.299 21.627 47.937 1.00 26.45 O +ATOM 1299 CB ILE A 175 20.903 19.817 49.606 1.00 29.87 C +ATOM 1300 CG1 ILE A 175 20.654 19.356 48.164 1.00 29.54 C +ATOM 1301 CG2 ILE A 175 19.592 19.915 50.399 1.00 30.18 C +ATOM 1302 CD1 ILE A 175 21.291 18.064 47.830 1.00 30.57 C +ATOM 1303 N THR A 176 23.894 20.310 49.668 1.00 31.01 N +ATOM 1304 CA THR A 176 25.244 20.114 49.178 1.00 33.50 C +ATOM 1305 C THR A 176 25.377 18.776 48.446 1.00 32.11 C +ATOM 1306 O THR A 176 25.007 17.725 48.972 1.00 32.07 O +ATOM 1307 CB THR A 176 26.279 20.268 50.346 1.00 35.27 C +ATOM 1308 OG1 THR A 176 26.309 21.643 50.775 1.00 36.55 O +ATOM 1309 CG2 THR A 176 27.684 19.852 49.897 1.00 36.86 C +ATOM 1310 N ALA A 177 25.829 18.837 47.196 1.00 32.20 N +ATOM 1311 CA ALA A 177 26.010 17.642 46.381 1.00 32.21 C +ATOM 1312 C ALA A 177 27.110 16.809 47.007 1.00 33.31 C +ATOM 1313 O ALA A 177 28.174 17.343 47.314 1.00 34.93 O +ATOM 1314 CB ALA A 177 26.397 18.035 44.981 1.00 32.00 C +ATOM 1315 N GLY A 178 26.853 15.525 47.233 1.00 33.06 N +ATOM 1316 CA GLY A 178 27.867 14.676 47.836 1.00 35.16 C +ATOM 1317 C GLY A 178 27.466 14.232 49.236 1.00 36.73 C +ATOM 1318 O GLY A 178 27.996 13.253 49.769 1.00 35.90 O +ATOM 1319 N GLU A 179 26.561 14.984 49.849 1.00 38.26 N +ATOM 1320 CA GLU A 179 26.053 14.661 51.173 1.00 40.73 C +ATOM 1321 C GLU A 179 25.129 13.451 51.004 1.00 40.02 C +ATOM 1322 O GLU A 179 24.446 13.326 49.979 1.00 41.59 O +ATOM 1323 CB GLU A 179 25.232 15.836 51.709 1.00 43.85 C +ATOM 1324 CG GLU A 179 25.697 16.375 53.052 1.00 50.60 C +ATOM 1325 CD GLU A 179 26.891 17.315 52.938 1.00 53.77 C +ATOM 1326 OE1 GLU A 179 26.678 18.539 53.101 1.00 55.74 O +ATOM 1327 OE2 GLU A 179 28.030 16.839 52.698 1.00 55.44 O +ATOM 1328 N LYS A 180 25.085 12.565 51.991 1.00 37.51 N +ATOM 1329 CA LYS A 180 24.224 11.398 51.885 1.00 35.99 C +ATOM 1330 C LYS A 180 23.109 11.362 52.916 1.00 34.48 C +ATOM 1331 O LYS A 180 22.232 10.512 52.859 1.00 33.49 O +ATOM 1332 CB LYS A 180 25.043 10.115 51.934 1.00 37.82 C +ATOM 1333 CG LYS A 180 25.957 9.944 50.740 1.00 39.84 C +ATOM 1334 CD LYS A 180 26.581 8.566 50.732 1.00 44.25 C +ATOM 1335 CE LYS A 180 27.726 8.468 49.722 1.00 47.39 C +ATOM 1336 NZ LYS A 180 27.260 8.682 48.313 1.00 50.01 N +ATOM 1337 N ASP A 181 23.115 12.294 53.852 1.00 34.97 N +ATOM 1338 CA ASP A 181 22.050 12.303 54.841 1.00 35.48 C +ATOM 1339 C ASP A 181 21.119 13.508 54.660 1.00 33.89 C +ATOM 1340 O ASP A 181 21.552 14.656 54.711 1.00 33.80 O +ATOM 1341 CB ASP A 181 22.628 12.270 56.263 1.00 39.13 C +ATOM 1342 CG ASP A 181 21.542 12.283 57.319 1.00 40.70 C +ATOM 1343 OD1 ASP A 181 21.436 13.307 58.019 1.00 43.82 O +ATOM 1344 OD2 ASP A 181 20.761 11.304 57.411 1.00 42.83 O +ATOM 1345 N PHE A 182 19.836 13.258 54.457 1.00 32.89 N +ATOM 1346 CA PHE A 182 18.908 14.368 54.278 1.00 33.65 C +ATOM 1347 C PHE A 182 17.788 14.352 55.312 1.00 34.68 C +ATOM 1348 O PHE A 182 16.679 14.813 55.030 1.00 34.94 O +ATOM 1349 CB PHE A 182 18.323 14.336 52.850 1.00 33.73 C +ATOM 1350 CG PHE A 182 19.369 14.368 51.775 1.00 30.68 C +ATOM 1351 CD1 PHE A 182 19.981 15.563 51.428 1.00 29.98 C +ATOM 1352 CD2 PHE A 182 19.797 13.187 51.171 1.00 31.43 C +ATOM 1353 CE1 PHE A 182 21.015 15.587 50.502 1.00 31.49 C +ATOM 1354 CE2 PHE A 182 20.832 13.198 50.237 1.00 30.01 C +ATOM 1355 CZ PHE A 182 21.444 14.397 49.904 1.00 31.09 C +ATOM 1356 N SER A 183 18.093 13.862 56.519 1.00 35.84 N +ATOM 1357 CA SER A 183 17.120 13.764 57.618 1.00 34.72 C +ATOM 1358 C SER A 183 16.458 15.093 57.904 1.00 32.96 C +ATOM 1359 O SER A 183 15.240 15.177 58.080 1.00 32.91 O +ATOM 1360 CB SER A 183 17.815 13.251 58.879 1.00 36.09 C +ATOM 1361 OG SER A 183 18.973 14.023 59.160 1.00 39.68 O +ATOM 1362 N THR A 184 17.269 16.138 57.934 1.00 32.17 N +ATOM 1363 CA THR A 184 16.765 17.476 58.183 1.00 34.01 C +ATOM 1364 C THR A 184 15.802 17.945 57.073 1.00 33.20 C +ATOM 1365 O THR A 184 14.719 18.469 57.366 1.00 34.26 O +ATOM 1366 CB THR A 184 17.924 18.466 58.427 1.00 35.31 C +ATOM 1367 OG1 THR A 184 17.511 19.804 58.121 1.00 40.48 O +ATOM 1368 CG2 THR A 184 19.119 18.105 57.595 1.00 39.00 C +ATOM 1369 N LEU A 185 16.144 17.698 55.810 1.00 31.71 N +ATOM 1370 CA LEU A 185 15.266 18.089 54.717 1.00 27.33 C +ATOM 1371 C LEU A 185 13.953 17.314 54.835 1.00 26.74 C +ATOM 1372 O LEU A 185 12.873 17.902 54.798 1.00 27.55 O +ATOM 1373 CB LEU A 185 15.937 17.818 53.361 1.00 28.55 C +ATOM 1374 CG LEU A 185 15.103 18.107 52.103 1.00 27.28 C +ATOM 1375 CD1 LEU A 185 14.820 19.581 51.956 1.00 27.31 C +ATOM 1376 CD2 LEU A 185 15.827 17.619 50.893 1.00 27.84 C +ATOM 1377 N VAL A 186 14.038 16.000 55.024 1.00 26.82 N +ATOM 1378 CA VAL A 186 12.836 15.167 55.151 1.00 26.67 C +ATOM 1379 C VAL A 186 11.973 15.620 56.330 1.00 26.95 C +ATOM 1380 O VAL A 186 10.744 15.627 56.247 1.00 26.91 O +ATOM 1381 CB VAL A 186 13.179 13.661 55.337 1.00 26.61 C +ATOM 1382 CG1 VAL A 186 11.913 12.856 55.453 1.00 26.69 C +ATOM 1383 CG2 VAL A 186 14.004 13.150 54.177 1.00 26.54 C +ATOM 1384 N ALA A 187 12.614 15.987 57.434 1.00 27.36 N +ATOM 1385 CA ALA A 187 11.867 16.427 58.612 1.00 27.98 C +ATOM 1386 C ALA A 187 11.066 17.673 58.260 1.00 27.88 C +ATOM 1387 O ALA A 187 9.883 17.774 58.598 1.00 29.09 O +ATOM 1388 CB ALA A 187 12.823 16.723 59.760 1.00 28.02 C +ATOM 1389 N ARG A 188 11.708 18.574 57.510 1.00 27.28 N +ATOM 1390 CA ARG A 188 11.117 19.833 57.071 1.00 23.80 C +ATOM 1391 C ARG A 188 9.952 19.625 56.095 1.00 24.41 C +ATOM 1392 O ARG A 188 8.953 20.342 56.156 1.00 25.27 O +ATOM 1393 CB ARG A 188 12.215 20.731 56.491 1.00 22.59 C +ATOM 1394 CG ARG A 188 11.773 22.140 56.158 1.00 23.07 C +ATOM 1395 CD ARG A 188 12.920 23.020 55.676 1.00 20.54 C +ATOM 1396 NE ARG A 188 12.452 24.340 55.226 1.00 19.65 N +ATOM 1397 CZ ARG A 188 13.219 25.262 54.651 1.00 17.48 C +ATOM 1398 NH1 ARG A 188 14.506 25.031 54.426 1.00 18.46 N +ATOM 1399 NH2 ARG A 188 12.716 26.451 54.386 1.00 18.13 N +ATOM 1400 N LEU A 189 10.055 18.643 55.204 1.00 23.14 N +ATOM 1401 CA LEU A 189 8.963 18.360 54.272 1.00 24.30 C +ATOM 1402 C LEU A 189 7.697 17.859 55.016 1.00 26.07 C +ATOM 1403 O LEU A 189 6.547 18.190 54.658 1.00 25.19 O +ATOM 1404 CB LEU A 189 9.413 17.322 53.234 1.00 22.10 C +ATOM 1405 CG LEU A 189 10.606 17.702 52.355 1.00 21.91 C +ATOM 1406 CD1 LEU A 189 11.058 16.479 51.589 1.00 22.72 C +ATOM 1407 CD2 LEU A 189 10.246 18.836 51.416 1.00 17.98 C +ATOM 1408 N LYS A 190 7.912 17.035 56.037 1.00 27.80 N +ATOM 1409 CA LYS A 190 6.804 16.501 56.845 1.00 28.51 C +ATOM 1410 C LYS A 190 6.228 17.635 57.698 1.00 27.74 C +ATOM 1411 O LYS A 190 5.042 17.941 57.629 1.00 28.18 O +ATOM 1412 CB LYS A 190 7.341 15.394 57.748 1.00 30.71 C +ATOM 1413 CG LYS A 190 6.298 14.489 58.357 1.00 34.64 C +ATOM 1414 CD LYS A 190 6.999 13.442 59.222 1.00 39.95 C +ATOM 1415 CE LYS A 190 5.980 12.531 59.927 1.00 44.48 C +ATOM 1416 NZ LYS A 190 6.598 11.594 60.956 1.00 45.81 N +ATOM 1417 N LYS A 191 7.113 18.312 58.421 1.00 29.17 N +ATOM 1418 CA LYS A 191 6.761 19.414 59.296 1.00 30.29 C +ATOM 1419 C LYS A 191 5.995 20.487 58.563 1.00 31.21 C +ATOM 1420 O LYS A 191 4.974 20.958 59.063 1.00 32.45 O +ATOM 1421 CB LYS A 191 8.029 19.969 59.940 1.00 33.75 C +ATOM 1422 CG LYS A 191 7.979 21.386 60.495 1.00 39.10 C +ATOM 1423 CD LYS A 191 9.429 21.961 60.451 1.00 45.70 C +ATOM 1424 CE LYS A 191 9.528 23.491 60.601 1.00 46.74 C +ATOM 1425 NZ LYS A 191 9.549 23.956 62.034 1.00 49.30 N +ATOM 1426 N GLU A 192 6.428 20.840 57.351 1.00 30.06 N +ATOM 1427 CA GLU A 192 5.736 21.878 56.596 1.00 28.13 C +ATOM 1428 C GLU A 192 4.644 21.392 55.620 1.00 27.45 C +ATOM 1429 O GLU A 192 4.105 22.176 54.864 1.00 27.98 O +ATOM 1430 CB GLU A 192 6.745 22.837 55.945 1.00 28.23 C +ATOM 1431 CG GLU A 192 7.815 23.313 56.945 1.00 28.75 C +ATOM 1432 CD GLU A 192 8.747 24.403 56.418 1.00 28.53 C +ATOM 1433 OE1 GLU A 192 9.935 24.432 56.812 1.00 31.30 O +ATOM 1434 OE2 GLU A 192 8.297 25.272 55.647 1.00 29.71 O +ATOM 1435 N ASN A 193 4.291 20.114 55.687 1.00 26.43 N +ATOM 1436 CA ASN A 193 3.243 19.530 54.859 1.00 27.70 C +ATOM 1437 C ASN A 193 3.415 19.733 53.360 1.00 26.68 C +ATOM 1438 O ASN A 193 2.457 20.062 52.633 1.00 25.97 O +ATOM 1439 CB ASN A 193 1.863 20.033 55.279 1.00 33.36 C +ATOM 1440 CG ASN A 193 1.506 19.644 56.701 1.00 38.53 C +ATOM 1441 OD1 ASN A 193 1.573 20.475 57.624 1.00 42.23 O +ATOM 1442 ND2 ASN A 193 1.150 18.379 56.896 1.00 39.59 N +ATOM 1443 N ILE A 194 4.611 19.416 52.881 1.00 25.84 N +ATOM 1444 CA ILE A 194 4.921 19.583 51.463 1.00 23.83 C +ATOM 1445 C ILE A 194 4.379 18.393 50.660 1.00 23.16 C +ATOM 1446 O ILE A 194 4.642 17.234 50.985 1.00 25.13 O +ATOM 1447 CB ILE A 194 6.442 19.747 51.261 1.00 21.10 C +ATOM 1448 CG1 ILE A 194 6.958 20.990 52.008 1.00 18.42 C +ATOM 1449 CG2 ILE A 194 6.773 19.830 49.789 1.00 20.39 C +ATOM 1450 CD1 ILE A 194 6.228 22.308 51.678 1.00 17.36 C +ATOM 1451 N ASP A 195 3.565 18.667 49.653 1.00 23.05 N +ATOM 1452 CA ASP A 195 3.042 17.577 48.850 1.00 24.19 C +ATOM 1453 C ASP A 195 3.724 17.396 47.484 1.00 23.45 C +ATOM 1454 O ASP A 195 3.480 16.399 46.794 1.00 23.11 O +ATOM 1455 CB ASP A 195 1.516 17.676 48.700 1.00 27.05 C +ATOM 1456 CG ASP A 195 1.059 18.858 47.867 1.00 27.24 C +ATOM 1457 OD1 ASP A 195 -0.081 18.816 47.407 1.00 30.47 O +ATOM 1458 OD2 ASP A 195 1.805 19.823 47.657 1.00 34.82 O +ATOM 1459 N PHE A 196 4.565 18.351 47.094 1.00 21.73 N +ATOM 1460 CA PHE A 196 5.269 18.262 45.809 1.00 19.99 C +ATOM 1461 C PHE A 196 6.629 18.917 45.931 1.00 18.24 C +ATOM 1462 O PHE A 196 6.743 20.022 46.451 1.00 16.84 O +ATOM 1463 CB PHE A 196 4.477 18.953 44.695 1.00 19.89 C +ATOM 1464 CG PHE A 196 5.059 18.732 43.307 1.00 22.75 C +ATOM 1465 CD1 PHE A 196 6.069 19.566 42.810 1.00 21.93 C +ATOM 1466 CD2 PHE A 196 4.629 17.667 42.514 1.00 22.53 C +ATOM 1467 CE1 PHE A 196 6.628 19.332 41.569 1.00 19.26 C +ATOM 1468 CE2 PHE A 196 5.198 17.440 41.273 1.00 20.13 C +ATOM 1469 CZ PHE A 196 6.194 18.277 40.813 1.00 18.21 C +ATOM 1470 N VAL A 197 7.658 18.229 45.449 1.00 16.35 N +ATOM 1471 CA VAL A 197 9.010 18.748 45.475 1.00 17.11 C +ATOM 1472 C VAL A 197 9.626 18.677 44.077 1.00 17.28 C +ATOM 1473 O VAL A 197 9.494 17.660 43.396 1.00 16.65 O +ATOM 1474 CB VAL A 197 9.931 17.896 46.428 1.00 17.72 C +ATOM 1475 CG1 VAL A 197 11.410 18.229 46.212 1.00 15.64 C +ATOM 1476 CG2 VAL A 197 9.577 18.185 47.895 1.00 18.44 C +ATOM 1477 N TYR A 198 10.216 19.773 43.624 1.00 17.63 N +ATOM 1478 CA TYR A 198 10.935 19.749 42.358 1.00 16.20 C +ATOM 1479 C TYR A 198 12.375 19.792 42.823 1.00 15.35 C +ATOM 1480 O TYR A 198 12.746 20.704 43.569 1.00 16.21 O +ATOM 1481 CB TYR A 198 10.678 20.988 41.503 1.00 15.97 C +ATOM 1482 CG TYR A 198 11.518 20.939 40.225 1.00 17.17 C +ATOM 1483 CD1 TYR A 198 12.788 21.506 40.183 1.00 17.37 C +ATOM 1484 CD2 TYR A 198 11.045 20.295 39.083 1.00 18.14 C +ATOM 1485 CE1 TYR A 198 13.585 21.442 39.031 1.00 20.42 C +ATOM 1486 CE2 TYR A 198 11.834 20.220 37.919 1.00 20.63 C +ATOM 1487 CZ TYR A 198 13.103 20.799 37.896 1.00 22.13 C +ATOM 1488 OH TYR A 198 13.902 20.775 36.741 1.00 22.75 O +ATOM 1489 N TYR A 199 13.187 18.826 42.398 1.00 15.05 N +ATOM 1490 CA TYR A 199 14.592 18.809 42.758 1.00 15.01 C +ATOM 1491 C TYR A 199 15.467 19.090 41.529 1.00 16.55 C +ATOM 1492 O TYR A 199 15.381 18.368 40.540 1.00 18.36 O +ATOM 1493 CB TYR A 199 14.984 17.452 43.352 1.00 16.95 C +ATOM 1494 CG TYR A 199 16.457 17.345 43.698 1.00 16.93 C +ATOM 1495 CD1 TYR A 199 17.332 16.604 42.904 1.00 15.79 C +ATOM 1496 CD2 TYR A 199 16.976 18.036 44.786 1.00 17.13 C +ATOM 1497 CE1 TYR A 199 18.693 16.562 43.194 1.00 18.73 C +ATOM 1498 CE2 TYR A 199 18.309 17.999 45.090 1.00 18.17 C +ATOM 1499 CZ TYR A 199 19.175 17.276 44.292 1.00 19.72 C +ATOM 1500 OH TYR A 199 20.514 17.304 44.584 1.00 20.35 O +ATOM 1501 N GLY A 200 16.279 20.139 41.587 1.00 16.73 N +ATOM 1502 CA GLY A 200 17.183 20.461 40.496 1.00 18.11 C +ATOM 1503 C GLY A 200 18.579 19.920 40.822 1.00 18.62 C +ATOM 1504 O GLY A 200 19.300 20.494 41.649 1.00 18.61 O +ATOM 1505 N GLY A 201 18.961 18.818 40.180 1.00 18.47 N +ATOM 1506 CA GLY A 201 20.258 18.222 40.421 1.00 18.79 C +ATOM 1507 C GLY A 201 20.411 16.899 39.707 1.00 20.33 C +ATOM 1508 O GLY A 201 19.729 16.651 38.712 1.00 20.91 O +ATOM 1509 N TYR A 202 21.258 16.027 40.247 1.00 19.77 N +ATOM 1510 CA TYR A 202 21.553 14.729 39.660 1.00 19.89 C +ATOM 1511 C TYR A 202 21.067 13.536 40.465 1.00 21.05 C +ATOM 1512 O TYR A 202 20.734 13.652 41.646 1.00 21.69 O +ATOM 1513 CB TYR A 202 23.054 14.602 39.389 1.00 21.18 C +ATOM 1514 CG TYR A 202 23.579 15.691 38.490 1.00 23.99 C +ATOM 1515 CD1 TYR A 202 23.186 15.782 37.158 1.00 25.74 C +ATOM 1516 CD2 TYR A 202 24.441 16.664 38.987 1.00 27.33 C +ATOM 1517 CE1 TYR A 202 23.636 16.824 36.352 1.00 28.20 C +ATOM 1518 CE2 TYR A 202 24.895 17.704 38.194 1.00 28.91 C +ATOM 1519 CZ TYR A 202 24.497 17.779 36.884 1.00 29.92 C +ATOM 1520 OH TYR A 202 24.988 18.817 36.122 1.00 32.65 O +ATOM 1521 N HIS A 203 21.101 12.369 39.832 1.00 19.31 N +ATOM 1522 CA HIS A 203 20.615 11.149 40.441 1.00 20.90 C +ATOM 1523 C HIS A 203 21.191 10.680 41.770 1.00 20.42 C +ATOM 1524 O HIS A 203 20.455 10.039 42.519 1.00 21.02 O +ATOM 1525 CB HIS A 203 20.596 9.980 39.434 1.00 21.36 C +ATOM 1526 CG HIS A 203 21.946 9.420 39.129 1.00 25.72 C +ATOM 1527 ND1 HIS A 203 22.826 10.018 38.249 1.00 27.18 N +ATOM 1528 CD2 HIS A 203 22.587 8.321 39.617 1.00 27.18 C +ATOM 1529 CE1 HIS A 203 23.949 9.321 38.210 1.00 28.22 C +ATOM 1530 NE2 HIS A 203 23.825 8.292 39.031 1.00 28.92 N +ATOM 1531 N PRO A 204 22.494 10.935 42.064 1.00 20.02 N +ATOM 1532 CA PRO A 204 23.036 10.463 43.356 1.00 22.87 C +ATOM 1533 C PRO A 204 22.265 11.045 44.545 1.00 20.83 C +ATOM 1534 O PRO A 204 21.788 10.310 45.399 1.00 22.57 O +ATOM 1535 CB PRO A 204 24.493 10.932 43.314 1.00 22.72 C +ATOM 1536 CG PRO A 204 24.801 10.928 41.840 1.00 21.97 C +ATOM 1537 CD PRO A 204 23.565 11.590 41.291 1.00 20.97 C +ATOM 1538 N GLU A 205 22.063 12.355 44.551 1.00 21.45 N +ATOM 1539 CA GLU A 205 21.301 12.968 45.630 1.00 21.19 C +ATOM 1540 C GLU A 205 19.811 12.574 45.567 1.00 23.18 C +ATOM 1541 O GLU A 205 19.205 12.206 46.595 1.00 22.19 O +ATOM 1542 CB GLU A 205 21.457 14.497 45.620 1.00 21.32 C +ATOM 1543 CG GLU A 205 22.855 15.004 45.987 1.00 24.45 C +ATOM 1544 CD GLU A 205 23.933 14.574 45.001 1.00 29.54 C +ATOM 1545 OE1 GLU A 205 25.009 14.141 45.460 1.00 30.39 O +ATOM 1546 OE2 GLU A 205 23.710 14.646 43.765 1.00 29.15 O +ATOM 1547 N MET A 206 19.216 12.601 44.370 1.00 20.66 N +ATOM 1548 CA MET A 206 17.803 12.250 44.240 1.00 19.33 C +ATOM 1549 C MET A 206 17.507 10.868 44.805 1.00 18.14 C +ATOM 1550 O MET A 206 16.468 10.660 45.408 1.00 18.87 O +ATOM 1551 CB MET A 206 17.368 12.320 42.774 1.00 18.89 C +ATOM 1552 CG MET A 206 15.894 12.009 42.528 1.00 18.50 C +ATOM 1553 SD MET A 206 14.806 13.422 42.741 1.00 24.15 S +ATOM 1554 CE MET A 206 14.584 13.441 44.404 1.00 22.07 C +ATOM 1555 N GLY A 207 18.386 9.911 44.544 1.00 19.10 N +ATOM 1556 CA GLY A 207 18.198 8.556 45.043 1.00 21.09 C +ATOM 1557 C GLY A 207 18.196 8.507 46.566 1.00 22.95 C +ATOM 1558 O GLY A 207 17.410 7.775 47.160 1.00 21.98 O +ATOM 1559 N GLN A 208 19.053 9.304 47.197 1.00 24.52 N +ATOM 1560 CA GLN A 208 19.104 9.366 48.664 1.00 27.20 C +ATOM 1561 C GLN A 208 17.824 9.996 49.235 1.00 25.67 C +ATOM 1562 O GLN A 208 17.190 9.431 50.145 1.00 26.31 O +ATOM 1563 CB GLN A 208 20.300 10.203 49.121 1.00 31.42 C +ATOM 1564 CG GLN A 208 21.654 9.572 48.874 1.00 35.88 C +ATOM 1565 CD GLN A 208 21.830 8.279 49.626 1.00 38.84 C +ATOM 1566 OE1 GLN A 208 20.990 7.895 50.456 1.00 38.59 O +ATOM 1567 NE2 GLN A 208 22.929 7.590 49.345 1.00 41.48 N +ATOM 1568 N ILE A 209 17.451 11.158 48.691 1.00 21.91 N +ATOM 1569 CA ILE A 209 16.251 11.883 49.114 1.00 21.85 C +ATOM 1570 C ILE A 209 15.000 11.002 48.983 1.00 23.31 C +ATOM 1571 O ILE A 209 14.191 10.919 49.922 1.00 22.68 O +ATOM 1572 CB ILE A 209 16.078 13.197 48.298 1.00 20.48 C +ATOM 1573 CG1 ILE A 209 17.249 14.141 48.604 1.00 21.81 C +ATOM 1574 CG2 ILE A 209 14.721 13.826 48.551 1.00 20.59 C +ATOM 1575 CD1 ILE A 209 17.364 15.374 47.719 1.00 20.42 C +ATOM 1576 N LEU A 210 14.870 10.298 47.852 1.00 22.14 N +ATOM 1577 CA LEU A 210 13.718 9.432 47.624 1.00 22.43 C +ATOM 1578 C LEU A 210 13.575 8.313 48.667 1.00 23.42 C +ATOM 1579 O LEU A 210 12.471 8.053 49.153 1.00 23.86 O +ATOM 1580 CB LEU A 210 13.775 8.823 46.219 1.00 22.98 C +ATOM 1581 CG LEU A 210 13.359 9.734 45.067 1.00 22.61 C +ATOM 1582 CD1 LEU A 210 13.603 9.025 43.758 1.00 21.62 C +ATOM 1583 CD2 LEU A 210 11.889 10.112 45.199 1.00 22.73 C +ATOM 1584 N ARG A 211 14.670 7.616 48.957 1.00 24.69 N +ATOM 1585 CA ARG A 211 14.657 6.524 49.934 1.00 27.38 C +ATOM 1586 C ARG A 211 14.244 7.016 51.301 1.00 26.63 C +ATOM 1587 O ARG A 211 13.343 6.448 51.934 1.00 25.56 O +ATOM 1588 CB ARG A 211 16.044 5.922 50.082 1.00 30.20 C +ATOM 1589 CG ARG A 211 16.371 4.878 49.072 1.00 35.36 C +ATOM 1590 CD ARG A 211 17.763 5.136 48.569 1.00 38.63 C +ATOM 1591 NE ARG A 211 18.778 4.326 49.217 1.00 41.36 N +ATOM 1592 CZ ARG A 211 20.075 4.619 49.184 1.00 43.96 C +ATOM 1593 NH1 ARG A 211 20.937 3.803 49.769 1.00 46.21 N +ATOM 1594 NH2 ARG A 211 20.511 5.749 48.618 1.00 40.95 N +ATOM 1595 N GLN A 212 14.927 8.072 51.736 1.00 27.24 N +ATOM 1596 CA GLN A 212 14.696 8.679 53.035 1.00 27.73 C +ATOM 1597 C GLN A 212 13.306 9.263 53.162 1.00 29.55 C +ATOM 1598 O GLN A 212 12.650 9.086 54.194 1.00 30.81 O +ATOM 1599 CB GLN A 212 15.786 9.708 53.352 1.00 27.08 C +ATOM 1600 CG GLN A 212 17.162 9.045 53.571 1.00 26.81 C +ATOM 1601 CD GLN A 212 18.314 10.028 53.622 1.00 28.30 C +ATOM 1602 OE1 GLN A 212 18.267 11.035 54.338 1.00 28.14 O +ATOM 1603 NE2 GLN A 212 19.368 9.741 52.854 1.00 29.10 N +ATOM 1604 N ALA A 213 12.805 9.881 52.096 1.00 30.55 N +ATOM 1605 CA ALA A 213 11.466 10.450 52.147 1.00 29.63 C +ATOM 1606 C ALA A 213 10.427 9.340 52.294 1.00 29.08 C +ATOM 1607 O ALA A 213 9.483 9.455 53.076 1.00 28.34 O +ATOM 1608 CB ALA A 213 11.186 11.281 50.908 1.00 29.86 C +ATOM 1609 N ARG A 214 10.619 8.248 51.572 1.00 27.60 N +ATOM 1610 CA ARG A 214 9.672 7.151 51.638 1.00 29.59 C +ATOM 1611 C ARG A 214 9.751 6.384 52.965 1.00 30.52 C +ATOM 1612 O ARG A 214 8.726 5.935 53.487 1.00 30.25 O +ATOM 1613 CB ARG A 214 9.868 6.215 50.443 1.00 30.90 C +ATOM 1614 CG ARG A 214 9.565 6.866 49.099 1.00 29.75 C +ATOM 1615 CD ARG A 214 8.129 7.313 49.032 1.00 30.52 C +ATOM 1616 NE ARG A 214 7.770 7.812 47.711 1.00 31.10 N +ATOM 1617 CZ ARG A 214 7.279 9.028 47.473 1.00 31.51 C +ATOM 1618 NH1 ARG A 214 6.976 9.382 46.230 1.00 32.28 N +ATOM 1619 NH2 ARG A 214 7.085 9.892 48.463 1.00 28.63 N +ATOM 1620 N ALA A 215 10.956 6.246 53.508 1.00 29.54 N +ATOM 1621 CA ALA A 215 11.131 5.552 54.785 1.00 31.01 C +ATOM 1622 C ALA A 215 10.358 6.282 55.874 1.00 31.94 C +ATOM 1623 O ALA A 215 9.731 5.662 56.718 1.00 34.65 O +ATOM 1624 CB ALA A 215 12.604 5.500 55.160 1.00 30.66 C +ATOM 1625 N ALA A 216 10.354 7.606 55.810 1.00 31.30 N +ATOM 1626 CA ALA A 216 9.687 8.421 56.806 1.00 29.56 C +ATOM 1627 C ALA A 216 8.200 8.554 56.583 1.00 30.39 C +ATOM 1628 O ALA A 216 7.555 9.414 57.172 1.00 31.72 O +ATOM 1629 CB ALA A 216 10.334 9.769 56.875 1.00 27.53 C +ATOM 1630 N GLY A 217 7.654 7.739 55.692 1.00 30.91 N +ATOM 1631 CA GLY A 217 6.225 7.791 55.440 1.00 31.74 C +ATOM 1632 C GLY A 217 5.642 8.955 54.647 1.00 32.35 C +ATOM 1633 O GLY A 217 4.414 9.145 54.680 1.00 32.98 O +ATOM 1634 N LEU A 218 6.479 9.724 53.937 1.00 32.09 N +ATOM 1635 CA LEU A 218 5.984 10.853 53.124 1.00 31.24 C +ATOM 1636 C LEU A 218 5.353 10.341 51.833 1.00 31.60 C +ATOM 1637 O LEU A 218 5.844 9.384 51.223 1.00 30.52 O +ATOM 1638 CB LEU A 218 7.118 11.819 52.775 1.00 29.46 C +ATOM 1639 CG LEU A 218 7.741 12.622 53.911 1.00 30.76 C +ATOM 1640 CD1 LEU A 218 8.936 13.426 53.422 1.00 31.68 C +ATOM 1641 CD2 LEU A 218 6.685 13.535 54.491 1.00 32.34 C +ATOM 1642 N LYS A 219 4.244 10.957 51.436 1.00 31.79 N +ATOM 1643 CA LYS A 219 3.576 10.569 50.197 1.00 33.04 C +ATOM 1644 C LYS A 219 3.869 11.618 49.122 1.00 31.32 C +ATOM 1645 O LYS A 219 3.276 11.591 48.036 1.00 33.74 O +ATOM 1646 CB LYS A 219 2.069 10.435 50.427 1.00 36.17 C +ATOM 1647 CG LYS A 219 1.699 9.190 51.258 1.00 40.55 C +ATOM 1648 CD LYS A 219 0.417 9.407 52.085 1.00 44.62 C +ATOM 1649 CE LYS A 219 0.286 8.371 53.235 1.00 47.38 C +ATOM 1650 NZ LYS A 219 1.407 8.412 54.275 1.00 47.96 N +ATOM 1651 N THR A 220 4.794 12.529 49.436 1.00 28.58 N +ATOM 1652 CA THR A 220 5.213 13.623 48.554 1.00 25.56 C +ATOM 1653 C THR A 220 5.571 13.170 47.128 1.00 25.65 C +ATOM 1654 O THR A 220 6.229 12.142 46.947 1.00 23.01 O +ATOM 1655 CB THR A 220 6.431 14.302 49.150 1.00 26.01 C +ATOM 1656 OG1 THR A 220 6.125 14.668 50.499 1.00 27.77 O +ATOM 1657 CG2 THR A 220 6.817 15.545 48.351 1.00 23.05 C +ATOM 1658 N GLN A 221 5.113 13.934 46.134 1.00 24.17 N +ATOM 1659 CA GLN A 221 5.397 13.655 44.719 1.00 22.45 C +ATOM 1660 C GLN A 221 6.678 14.373 44.352 1.00 18.69 C +ATOM 1661 O GLN A 221 6.816 15.554 44.625 1.00 19.06 O +ATOM 1662 CB GLN A 221 4.265 14.192 43.827 1.00 24.78 C +ATOM 1663 CG GLN A 221 4.571 14.207 42.308 1.00 29.08 C +ATOM 1664 CD GLN A 221 4.713 12.808 41.710 1.00 31.95 C +ATOM 1665 OE1 GLN A 221 3.742 12.042 41.658 1.00 34.42 O +ATOM 1666 NE2 GLN A 221 5.920 12.461 41.289 1.00 27.48 N +ATOM 1667 N PHE A 222 7.624 13.664 43.755 1.00 17.30 N +ATOM 1668 CA PHE A 222 8.873 14.302 43.358 1.00 16.26 C +ATOM 1669 C PHE A 222 8.980 14.474 41.828 1.00 16.69 C +ATOM 1670 O PHE A 222 8.322 13.752 41.056 1.00 17.01 O +ATOM 1671 CB PHE A 222 10.068 13.498 43.865 1.00 19.88 C +ATOM 1672 CG PHE A 222 10.325 13.648 45.349 1.00 19.47 C +ATOM 1673 CD1 PHE A 222 11.198 14.630 45.822 1.00 20.65 C +ATOM 1674 CD2 PHE A 222 9.705 12.797 46.268 1.00 22.24 C +ATOM 1675 CE1 PHE A 222 11.464 14.771 47.197 1.00 22.15 C +ATOM 1676 CE2 PHE A 222 9.955 12.925 47.647 1.00 24.26 C +ATOM 1677 CZ PHE A 222 10.845 13.923 48.110 1.00 23.19 C +ATOM 1678 N MET A 223 9.802 15.429 41.404 1.00 17.30 N +ATOM 1679 CA MET A 223 10.020 15.689 39.981 1.00 17.77 C +ATOM 1680 C MET A 223 11.405 16.250 39.812 1.00 18.52 C +ATOM 1681 O MET A 223 11.854 17.048 40.635 1.00 17.21 O +ATOM 1682 CB MET A 223 8.999 16.704 39.443 1.00 19.17 C +ATOM 1683 CG MET A 223 9.182 17.039 37.938 1.00 20.11 C +ATOM 1684 SD MET A 223 7.912 18.095 37.269 1.00 24.03 S +ATOM 1685 CE MET A 223 7.770 17.424 35.625 1.00 27.30 C +ATOM 1686 N GLY A 224 12.069 15.868 38.722 1.00 18.48 N +ATOM 1687 CA GLY A 224 13.405 16.376 38.461 1.00 18.30 C +ATOM 1688 C GLY A 224 13.726 16.471 36.976 1.00 18.38 C +ATOM 1689 O GLY A 224 12.919 16.046 36.122 1.00 15.76 O +ATOM 1690 N PRO A 225 14.892 17.042 36.638 1.00 18.19 N +ATOM 1691 CA PRO A 225 15.350 17.207 35.258 1.00 19.17 C +ATOM 1692 C PRO A 225 15.942 15.888 34.739 1.00 19.75 C +ATOM 1693 O PRO A 225 16.107 14.924 35.481 1.00 20.72 O +ATOM 1694 CB PRO A 225 16.443 18.283 35.371 1.00 18.73 C +ATOM 1695 CG PRO A 225 16.495 18.683 36.803 1.00 21.31 C +ATOM 1696 CD PRO A 225 15.904 17.549 37.568 1.00 20.53 C +ATOM 1697 N GLU A 226 16.326 15.878 33.465 1.00 20.51 N +ATOM 1698 CA GLU A 226 16.891 14.701 32.822 1.00 20.00 C +ATOM 1699 C GLU A 226 18.063 14.117 33.604 1.00 18.35 C +ATOM 1700 O GLU A 226 18.236 12.910 33.629 1.00 19.32 O +ATOM 1701 CB GLU A 226 17.318 15.103 31.417 1.00 23.16 C +ATOM 1702 CG GLU A 226 17.636 13.965 30.495 1.00 28.50 C +ATOM 1703 CD GLU A 226 18.139 14.469 29.146 1.00 31.80 C +ATOM 1704 OE1 GLU A 226 18.688 13.636 28.402 1.00 37.16 O +ATOM 1705 OE2 GLU A 226 18.007 15.688 28.841 1.00 33.45 O +ATOM 1706 N GLY A 227 18.796 14.976 34.313 1.00 20.61 N +ATOM 1707 CA GLY A 227 19.937 14.549 35.130 1.00 20.41 C +ATOM 1708 C GLY A 227 19.626 13.554 36.254 1.00 21.07 C +ATOM 1709 O GLY A 227 20.509 12.907 36.812 1.00 20.68 O +ATOM 1710 N VAL A 228 18.364 13.449 36.624 1.00 23.24 N +ATOM 1711 CA VAL A 228 17.944 12.519 37.655 1.00 27.39 C +ATOM 1712 C VAL A 228 17.579 11.160 37.029 1.00 29.67 C +ATOM 1713 O VAL A 228 17.613 10.143 37.693 1.00 32.26 O +ATOM 1714 CB VAL A 228 16.729 13.110 38.362 1.00 28.25 C +ATOM 1715 CG1 VAL A 228 16.033 12.084 39.158 1.00 34.71 C +ATOM 1716 CG2 VAL A 228 17.153 14.262 39.231 1.00 28.05 C +ATOM 1717 N ALA A 229 17.228 11.146 35.748 1.00 33.98 N +ATOM 1718 CA ALA A 229 16.819 9.921 35.026 1.00 36.33 C +ATOM 1719 C ALA A 229 17.972 8.994 34.633 1.00 37.41 C +ATOM 1720 O ALA A 229 18.485 9.090 33.505 1.00 39.63 O +ATOM 1721 CB ALA A 229 16.035 10.307 33.766 1.00 35.44 C +ATOM 1722 N ASN A 230 18.287 8.020 35.485 1.00 36.82 N +ATOM 1723 CA ASN A 230 19.401 7.106 35.218 1.00 34.71 C +ATOM 1724 C ASN A 230 18.982 5.740 35.765 1.00 33.53 C +ATOM 1725 O ASN A 230 18.287 5.671 36.766 1.00 32.05 O +ATOM 1726 CB ASN A 230 20.634 7.664 35.944 1.00 37.48 C +ATOM 1727 CG ASN A 230 21.918 6.901 35.643 1.00 42.07 C +ATOM 1728 OD1 ASN A 230 22.070 5.745 36.028 1.00 46.17 O +ATOM 1729 ND2 ASN A 230 22.870 7.565 34.998 1.00 42.82 N +ATOM 1730 N VAL A 231 19.382 4.649 35.118 1.00 32.25 N +ATOM 1731 CA VAL A 231 18.990 3.304 35.587 1.00 31.13 C +ATOM 1732 C VAL A 231 19.562 2.969 36.951 1.00 27.90 C +ATOM 1733 O VAL A 231 18.935 2.267 37.746 1.00 25.88 O +ATOM 1734 CB VAL A 231 19.385 2.172 34.590 1.00 31.78 C +ATOM 1735 CG1 VAL A 231 20.873 2.194 34.298 1.00 32.06 C +ATOM 1736 CG2 VAL A 231 19.001 0.824 35.166 1.00 32.76 C +ATOM 1737 N SER A 232 20.742 3.489 37.245 1.00 26.68 N +ATOM 1738 CA SER A 232 21.317 3.196 38.538 1.00 27.23 C +ATOM 1739 C SER A 232 20.423 3.762 39.664 1.00 26.36 C +ATOM 1740 O SER A 232 20.416 3.227 40.757 1.00 27.45 O +ATOM 1741 CB SER A 232 22.761 3.680 38.611 1.00 26.12 C +ATOM 1742 OG SER A 232 22.821 5.071 38.758 1.00 33.40 O +ATOM 1743 N LEU A 233 19.635 4.803 39.390 1.00 26.18 N +ATOM 1744 CA LEU A 233 18.722 5.379 40.388 1.00 25.49 C +ATOM 1745 C LEU A 233 17.691 4.307 40.760 1.00 25.17 C +ATOM 1746 O LEU A 233 17.345 4.142 41.924 1.00 25.39 O +ATOM 1747 CB LEU A 233 18.000 6.640 39.855 1.00 26.02 C +ATOM 1748 CG LEU A 233 16.911 7.321 40.726 1.00 27.09 C +ATOM 1749 CD1 LEU A 233 17.290 8.732 40.963 1.00 28.72 C +ATOM 1750 CD2 LEU A 233 15.552 7.324 40.069 1.00 28.43 C +ATOM 1751 N SER A 234 17.227 3.542 39.789 1.00 23.94 N +ATOM 1752 CA SER A 234 16.263 2.507 40.100 1.00 25.02 C +ATOM 1753 C SER A 234 16.878 1.404 40.964 1.00 24.96 C +ATOM 1754 O SER A 234 16.198 0.834 41.814 1.00 23.62 O +ATOM 1755 CB SER A 234 15.692 1.912 38.814 1.00 28.66 C +ATOM 1756 OG SER A 234 14.923 2.881 38.117 1.00 31.81 O +ATOM 1757 N ASN A 235 18.152 1.090 40.736 1.00 24.03 N +ATOM 1758 CA ASN A 235 18.824 0.044 41.524 1.00 24.70 C +ATOM 1759 C ASN A 235 19.004 0.486 42.970 1.00 24.68 C +ATOM 1760 O ASN A 235 18.739 -0.274 43.904 1.00 27.88 O +ATOM 1761 CB ASN A 235 20.180 -0.335 40.919 1.00 22.97 C +ATOM 1762 CG ASN A 235 20.039 -1.028 39.573 1.00 24.51 C +ATOM 1763 OD1 ASN A 235 19.061 -1.733 39.325 1.00 24.86 O +ATOM 1764 ND2 ASN A 235 21.003 -0.799 38.684 1.00 24.22 N +ATOM 1765 N ILE A 236 19.413 1.731 43.141 1.00 24.61 N +ATOM 1766 CA ILE A 236 19.638 2.307 44.452 1.00 25.03 C +ATOM 1767 C ILE A 236 18.355 2.641 45.215 1.00 27.49 C +ATOM 1768 O ILE A 236 18.219 2.273 46.381 1.00 30.33 O +ATOM 1769 CB ILE A 236 20.500 3.561 44.313 1.00 26.66 C +ATOM 1770 CG1 ILE A 236 21.922 3.143 43.935 1.00 25.90 C +ATOM 1771 CG2 ILE A 236 20.456 4.414 45.583 1.00 26.87 C +ATOM 1772 CD1 ILE A 236 22.722 4.270 43.336 1.00 28.22 C +ATOM 1773 N ALA A 237 17.424 3.349 44.588 1.00 25.06 N +ATOM 1774 CA ALA A 237 16.194 3.730 45.263 1.00 23.83 C +ATOM 1775 C ALA A 237 15.125 2.669 45.209 1.00 24.22 C +ATOM 1776 O ALA A 237 14.230 2.647 46.053 1.00 26.35 O +ATOM 1777 CB ALA A 237 15.674 5.028 44.712 1.00 20.76 C +ATOM 1778 N GLY A 238 15.193 1.799 44.211 1.00 25.77 N +ATOM 1779 CA GLY A 238 14.219 0.728 44.083 1.00 25.45 C +ATOM 1780 C GLY A 238 12.807 1.230 43.948 1.00 27.10 C +ATOM 1781 O GLY A 238 12.555 2.168 43.202 1.00 28.08 O +ATOM 1782 N GLU A 239 11.898 0.637 44.714 1.00 29.03 N +ATOM 1783 CA GLU A 239 10.484 0.993 44.715 1.00 29.24 C +ATOM 1784 C GLU A 239 10.200 2.466 45.037 1.00 27.74 C +ATOM 1785 O GLU A 239 9.153 2.977 44.661 1.00 28.16 O +ATOM 1786 CB GLU A 239 9.738 0.086 45.691 1.00 35.10 C +ATOM 1787 CG GLU A 239 8.233 0.036 45.459 1.00 44.36 C +ATOM 1788 CD GLU A 239 7.847 -0.648 44.144 1.00 48.74 C +ATOM 1789 OE1 GLU A 239 6.844 -0.207 43.514 1.00 50.14 O +ATOM 1790 OE2 GLU A 239 8.541 -1.630 43.757 1.00 50.78 O +ATOM 1791 N SER A 240 11.110 3.132 45.749 1.00 26.59 N +ATOM 1792 CA SER A 240 10.962 4.550 46.085 1.00 28.00 C +ATOM 1793 C SER A 240 11.114 5.454 44.853 1.00 26.93 C +ATOM 1794 O SER A 240 10.937 6.675 44.944 1.00 27.69 O +ATOM 1795 CB SER A 240 12.016 4.977 47.112 1.00 28.58 C +ATOM 1796 OG SER A 240 11.902 4.205 48.293 1.00 36.19 O +ATOM 1797 N ALA A 241 11.488 4.868 43.724 1.00 24.89 N +ATOM 1798 CA ALA A 241 11.662 5.622 42.481 1.00 25.50 C +ATOM 1799 C ALA A 241 10.409 5.567 41.607 1.00 25.18 C +ATOM 1800 O ALA A 241 10.279 6.315 40.640 1.00 25.22 O +ATOM 1801 CB ALA A 241 12.867 5.076 41.715 1.00 27.69 C +ATOM 1802 N GLU A 242 9.496 4.671 41.964 1.00 24.34 N +ATOM 1803 CA GLU A 242 8.240 4.487 41.252 1.00 24.97 C +ATOM 1804 C GLU A 242 7.368 5.746 41.347 1.00 25.96 C +ATOM 1805 O GLU A 242 7.122 6.271 42.442 1.00 25.47 O +ATOM 1806 CB GLU A 242 7.500 3.290 41.859 1.00 26.02 C +ATOM 1807 CG GLU A 242 6.123 3.029 41.290 1.00 29.40 C +ATOM 1808 CD GLU A 242 6.172 2.595 39.833 1.00 34.16 C +ATOM 1809 OE1 GLU A 242 5.328 3.085 39.049 1.00 37.27 O +ATOM 1810 OE2 GLU A 242 7.048 1.769 39.472 1.00 34.84 O +ATOM 1811 N GLY A 243 6.949 6.271 40.202 1.00 24.73 N +ATOM 1812 CA GLY A 243 6.107 7.449 40.228 1.00 22.88 C +ATOM 1813 C GLY A 243 6.854 8.759 40.170 1.00 22.93 C +ATOM 1814 O GLY A 243 6.224 9.807 40.274 1.00 24.35 O +ATOM 1815 N LEU A 244 8.176 8.718 40.008 1.00 21.05 N +ATOM 1816 CA LEU A 244 8.990 9.932 39.913 1.00 21.95 C +ATOM 1817 C LEU A 244 8.798 10.627 38.539 1.00 22.48 C +ATOM 1818 O LEU A 244 8.925 9.969 37.494 1.00 24.25 O +ATOM 1819 CB LEU A 244 10.466 9.579 40.113 1.00 18.83 C +ATOM 1820 CG LEU A 244 11.476 10.683 39.760 1.00 21.00 C +ATOM 1821 CD1 LEU A 244 11.367 11.886 40.699 1.00 22.60 C +ATOM 1822 CD2 LEU A 244 12.889 10.125 39.763 1.00 20.29 C +ATOM 1823 N LEU A 245 8.499 11.929 38.525 1.00 20.63 N +ATOM 1824 CA LEU A 245 8.329 12.635 37.244 1.00 20.42 C +ATOM 1825 C LEU A 245 9.647 13.199 36.758 1.00 18.20 C +ATOM 1826 O LEU A 245 10.356 13.863 37.512 1.00 17.56 O +ATOM 1827 CB LEU A 245 7.291 13.751 37.351 1.00 18.34 C +ATOM 1828 CG LEU A 245 5.892 13.221 37.643 1.00 20.85 C +ATOM 1829 CD1 LEU A 245 4.954 14.322 38.076 1.00 21.83 C +ATOM 1830 CD2 LEU A 245 5.389 12.525 36.416 1.00 23.77 C +ATOM 1831 N VAL A 246 9.975 12.935 35.490 1.00 18.07 N +ATOM 1832 CA VAL A 246 11.231 13.397 34.892 1.00 17.87 C +ATOM 1833 C VAL A 246 10.999 14.027 33.512 1.00 18.47 C +ATOM 1834 O VAL A 246 10.082 13.633 32.798 1.00 18.34 O +ATOM 1835 CB VAL A 246 12.263 12.241 34.736 1.00 18.47 C +ATOM 1836 CG1 VAL A 246 12.589 11.616 36.081 1.00 21.48 C +ATOM 1837 CG2 VAL A 246 11.715 11.136 33.822 1.00 23.97 C +ATOM 1838 N THR A 247 11.766 15.065 33.195 1.00 18.81 N +ATOM 1839 CA THR A 247 11.658 15.705 31.899 1.00 18.79 C +ATOM 1840 C THR A 247 12.857 15.246 31.078 1.00 20.96 C +ATOM 1841 O THR A 247 13.964 15.127 31.606 1.00 20.00 O +ATOM 1842 CB THR A 247 11.675 17.265 31.965 1.00 19.03 C +ATOM 1843 OG1 THR A 247 12.836 17.728 32.672 1.00 19.58 O +ATOM 1844 CG2 THR A 247 10.392 17.820 32.595 1.00 17.94 C +ATOM 1845 N LYS A 248 12.600 14.893 29.817 1.00 22.43 N +ATOM 1846 CA LYS A 248 13.649 14.491 28.880 1.00 23.31 C +ATOM 1847 C LYS A 248 13.078 14.551 27.465 1.00 23.99 C +ATOM 1848 O LYS A 248 11.860 14.694 27.302 1.00 21.87 O +ATOM 1849 CB LYS A 248 14.243 13.126 29.215 1.00 25.73 C +ATOM 1850 CG LYS A 248 13.325 11.957 29.149 1.00 30.03 C +ATOM 1851 CD LYS A 248 14.002 10.803 29.876 1.00 33.61 C +ATOM 1852 CE LYS A 248 13.357 9.476 29.519 1.00 39.33 C +ATOM 1853 NZ LYS A 248 13.430 9.155 28.038 1.00 42.37 N +ATOM 1854 N PRO A 249 13.952 14.534 26.433 1.00 24.22 N +ATOM 1855 CA PRO A 249 13.554 14.594 25.019 1.00 22.50 C +ATOM 1856 C PRO A 249 12.401 13.672 24.660 1.00 20.46 C +ATOM 1857 O PRO A 249 12.324 12.555 25.137 1.00 21.95 O +ATOM 1858 CB PRO A 249 14.822 14.149 24.306 1.00 23.81 C +ATOM 1859 CG PRO A 249 15.893 14.712 25.183 1.00 24.54 C +ATOM 1860 CD PRO A 249 15.403 14.278 26.536 1.00 24.36 C +ATOM 1861 N LYS A 250 11.489 14.149 23.824 1.00 20.44 N +ATOM 1862 CA LYS A 250 10.371 13.326 23.401 1.00 19.82 C +ATOM 1863 C LYS A 250 10.905 12.278 22.451 1.00 20.33 C +ATOM 1864 O LYS A 250 11.952 12.472 21.848 1.00 21.11 O +ATOM 1865 CB LYS A 250 9.331 14.169 22.676 1.00 18.88 C +ATOM 1866 CG LYS A 250 8.634 15.153 23.541 1.00 20.96 C +ATOM 1867 CD LYS A 250 7.599 15.895 22.785 1.00 23.90 C +ATOM 1868 CE LYS A 250 6.959 16.936 23.659 1.00 26.95 C +ATOM 1869 NZ LYS A 250 5.961 17.733 22.899 1.00 32.29 N +ATOM 1870 N ASN A 251 10.201 11.160 22.345 1.00 21.94 N +ATOM 1871 CA ASN A 251 10.586 10.061 21.462 1.00 23.36 C +ATOM 1872 C ASN A 251 9.817 10.247 20.140 1.00 23.36 C +ATOM 1873 O ASN A 251 8.701 9.703 19.964 1.00 22.67 O +ATOM 1874 CB ASN A 251 10.183 8.720 22.084 1.00 27.78 C +ATOM 1875 CG ASN A 251 10.919 8.431 23.384 1.00 29.15 C +ATOM 1876 OD1 ASN A 251 10.307 8.033 24.384 1.00 31.92 O +ATOM 1877 ND2 ASN A 251 12.228 8.591 23.364 1.00 26.43 N +ATOM 1878 N TYR A 252 10.408 11.012 19.217 1.00 22.06 N +ATOM 1879 CA TYR A 252 9.768 11.289 17.930 1.00 20.45 C +ATOM 1880 C TYR A 252 9.565 10.098 17.011 1.00 18.46 C +ATOM 1881 O TYR A 252 8.664 10.106 16.195 1.00 20.42 O +ATOM 1882 CB TYR A 252 10.495 12.396 17.216 1.00 19.06 C +ATOM 1883 CG TYR A 252 10.513 13.629 18.031 1.00 16.20 C +ATOM 1884 CD1 TYR A 252 9.353 14.348 18.241 1.00 13.82 C +ATOM 1885 CD2 TYR A 252 11.698 14.072 18.616 1.00 17.49 C +ATOM 1886 CE1 TYR A 252 9.365 15.511 19.025 1.00 19.19 C +ATOM 1887 CE2 TYR A 252 11.726 15.219 19.407 1.00 17.77 C +ATOM 1888 CZ TYR A 252 10.565 15.941 19.605 1.00 16.30 C +ATOM 1889 OH TYR A 252 10.625 17.110 20.333 1.00 19.96 O +ATOM 1890 N ASP A 253 10.362 9.066 17.165 1.00 19.92 N +ATOM 1891 CA ASP A 253 10.184 7.881 16.361 1.00 22.21 C +ATOM 1892 C ASP A 253 8.931 7.129 16.792 1.00 23.72 C +ATOM 1893 O ASP A 253 8.498 6.194 16.119 1.00 25.87 O +ATOM 1894 CB ASP A 253 11.410 6.962 16.452 1.00 24.14 C +ATOM 1895 CG ASP A 253 11.750 6.554 17.888 1.00 27.23 C +ATOM 1896 OD1 ASP A 253 11.736 7.417 18.790 1.00 29.53 O +ATOM 1897 OD2 ASP A 253 12.086 5.379 18.105 1.00 28.58 O +ATOM 1898 N GLN A 254 8.333 7.530 17.907 1.00 25.53 N +ATOM 1899 CA GLN A 254 7.126 6.863 18.381 1.00 26.94 C +ATOM 1900 C GLN A 254 5.813 7.548 17.959 1.00 25.87 C +ATOM 1901 O GLN A 254 4.733 6.991 18.140 1.00 26.13 O +ATOM 1902 CB GLN A 254 7.184 6.699 19.905 1.00 30.90 C +ATOM 1903 CG GLN A 254 8.248 5.732 20.389 1.00 36.78 C +ATOM 1904 CD GLN A 254 8.458 5.770 21.911 1.00 42.60 C +ATOM 1905 OE1 GLN A 254 9.483 5.282 22.417 1.00 45.35 O +ATOM 1906 NE2 GLN A 254 7.501 6.350 22.644 1.00 43.53 N +ATOM 1907 N VAL A 255 5.906 8.756 17.413 1.00 25.20 N +ATOM 1908 CA VAL A 255 4.727 9.496 16.952 1.00 25.49 C +ATOM 1909 C VAL A 255 4.180 8.758 15.726 1.00 26.69 C +ATOM 1910 O VAL A 255 4.904 8.535 14.762 1.00 26.36 O +ATOM 1911 CB VAL A 255 5.125 10.913 16.575 1.00 25.76 C +ATOM 1912 CG1 VAL A 255 3.944 11.679 16.061 1.00 25.63 C +ATOM 1913 CG2 VAL A 255 5.731 11.623 17.794 1.00 27.67 C +ATOM 1914 N PRO A 256 2.893 8.377 15.743 1.00 28.04 N +ATOM 1915 CA PRO A 256 2.269 7.650 14.627 1.00 28.11 C +ATOM 1916 C PRO A 256 2.532 8.278 13.272 1.00 26.00 C +ATOM 1917 O PRO A 256 2.936 7.596 12.336 1.00 27.74 O +ATOM 1918 CB PRO A 256 0.776 7.684 14.987 1.00 29.61 C +ATOM 1919 CG PRO A 256 0.793 7.703 16.484 1.00 29.15 C +ATOM 1920 CD PRO A 256 1.877 8.736 16.750 1.00 30.01 C +ATOM 1921 N ALA A 257 2.314 9.580 13.183 1.00 25.42 N +ATOM 1922 CA ALA A 257 2.527 10.328 11.948 1.00 24.08 C +ATOM 1923 C ALA A 257 3.913 10.144 11.322 1.00 24.19 C +ATOM 1924 O ALA A 257 4.045 10.249 10.096 1.00 25.88 O +ATOM 1925 CB ALA A 257 2.262 11.783 12.177 1.00 25.16 C +ATOM 1926 N ASN A 258 4.913 9.796 12.132 1.00 21.62 N +ATOM 1927 CA ASN A 258 6.278 9.616 11.652 1.00 20.44 C +ATOM 1928 C ASN A 258 6.624 8.198 11.260 1.00 20.11 C +ATOM 1929 O ASN A 258 7.743 7.940 10.851 1.00 19.78 O +ATOM 1930 CB ASN A 258 7.292 10.082 12.702 1.00 18.79 C +ATOM 1931 CG ASN A 258 7.232 11.562 12.952 1.00 21.25 C +ATOM 1932 OD1 ASN A 258 6.672 12.317 12.166 1.00 22.15 O +ATOM 1933 ND2 ASN A 258 7.793 11.998 14.077 1.00 20.60 N +ATOM 1934 N LYS A 259 5.666 7.276 11.349 1.00 21.16 N +ATOM 1935 CA LYS A 259 5.942 5.876 11.018 1.00 22.97 C +ATOM 1936 C LYS A 259 6.590 5.586 9.641 1.00 22.99 C +ATOM 1937 O LYS A 259 7.447 4.690 9.553 1.00 24.20 O +ATOM 1938 CB LYS A 259 4.689 5.002 11.231 1.00 26.20 C +ATOM 1939 CG LYS A 259 4.837 3.566 10.746 1.00 30.31 C +ATOM 1940 CD LYS A 259 3.475 2.887 10.692 1.00 34.15 C +ATOM 1941 CE LYS A 259 3.399 1.802 9.610 1.00 37.20 C +ATOM 1942 NZ LYS A 259 4.402 0.700 9.747 1.00 38.27 N +ATOM 1943 N PRO A 260 6.160 6.284 8.547 1.00 21.91 N +ATOM 1944 CA PRO A 260 6.756 6.057 7.213 1.00 20.83 C +ATOM 1945 C PRO A 260 8.271 6.357 7.195 1.00 19.92 C +ATOM 1946 O PRO A 260 9.050 5.645 6.569 1.00 20.16 O +ATOM 1947 CB PRO A 260 5.996 7.044 6.342 1.00 22.00 C +ATOM 1948 CG PRO A 260 4.639 7.088 6.986 1.00 22.44 C +ATOM 1949 CD PRO A 260 4.997 7.181 8.445 1.00 19.38 C +ATOM 1950 N ILE A 261 8.693 7.373 7.953 1.00 20.36 N +ATOM 1951 CA ILE A 261 10.105 7.743 8.049 1.00 18.52 C +ATOM 1952 C ILE A 261 10.846 6.663 8.802 1.00 19.76 C +ATOM 1953 O ILE A 261 11.914 6.207 8.365 1.00 19.48 O +ATOM 1954 CB ILE A 261 10.283 9.106 8.753 1.00 18.52 C +ATOM 1955 CG1 ILE A 261 9.684 10.216 7.894 1.00 19.01 C +ATOM 1956 CG2 ILE A 261 11.755 9.419 8.947 1.00 19.05 C +ATOM 1957 CD1 ILE A 261 9.271 11.462 8.694 1.00 19.25 C +ATOM 1958 N VAL A 262 10.287 6.249 9.941 1.00 19.49 N +ATOM 1959 CA VAL A 262 10.888 5.181 10.736 1.00 20.75 C +ATOM 1960 C VAL A 262 11.048 3.923 9.864 1.00 21.67 C +ATOM 1961 O VAL A 262 12.098 3.269 9.887 1.00 22.42 O +ATOM 1962 CB VAL A 262 10.015 4.846 11.990 1.00 20.84 C +ATOM 1963 CG1 VAL A 262 10.510 3.580 12.671 1.00 20.48 C +ATOM 1964 CG2 VAL A 262 10.000 6.020 12.971 1.00 21.07 C +ATOM 1965 N ASP A 263 10.015 3.591 9.089 1.00 22.31 N +ATOM 1966 CA ASP A 263 10.052 2.418 8.203 1.00 24.08 C +ATOM 1967 C ASP A 263 11.119 2.530 7.116 1.00 23.11 C +ATOM 1968 O ASP A 263 11.844 1.575 6.858 1.00 24.05 O +ATOM 1969 CB ASP A 263 8.684 2.206 7.525 1.00 27.76 C +ATOM 1970 CG ASP A 263 7.634 1.635 8.472 1.00 30.71 C +ATOM 1971 OD1 ASP A 263 6.439 1.629 8.087 1.00 33.51 O +ATOM 1972 OD2 ASP A 263 8.004 1.182 9.576 1.00 30.79 O +ATOM 1973 N ALA A 264 11.167 3.681 6.446 1.00 23.63 N +ATOM 1974 CA ALA A 264 12.141 3.956 5.382 1.00 23.07 C +ATOM 1975 C ALA A 264 13.595 3.829 5.852 1.00 24.61 C +ATOM 1976 O ALA A 264 14.474 3.355 5.111 1.00 24.48 O +ATOM 1977 CB ALA A 264 11.899 5.338 4.832 1.00 22.83 C +ATOM 1978 N ILE A 265 13.860 4.288 7.075 1.00 25.00 N +ATOM 1979 CA ILE A 265 15.200 4.209 7.660 1.00 24.40 C +ATOM 1980 C ILE A 265 15.512 2.775 8.063 1.00 25.50 C +ATOM 1981 O ILE A 265 16.643 2.335 7.892 1.00 26.42 O +ATOM 1982 CB ILE A 265 15.369 5.153 8.884 1.00 24.01 C +ATOM 1983 CG1 ILE A 265 15.320 6.618 8.423 1.00 22.09 C +ATOM 1984 CG2 ILE A 265 16.684 4.856 9.576 1.00 22.16 C +ATOM 1985 CD1 ILE A 265 15.184 7.646 9.500 1.00 24.15 C +ATOM 1986 N LYS A 266 14.516 2.038 8.578 1.00 27.99 N +ATOM 1987 CA LYS A 266 14.740 0.643 8.958 1.00 29.49 C +ATOM 1988 C LYS A 266 15.074 -0.156 7.707 1.00 30.85 C +ATOM 1989 O LYS A 266 16.023 -0.939 7.722 1.00 31.92 O +ATOM 1990 CB LYS A 266 13.526 0.022 9.642 1.00 30.86 C +ATOM 1991 CG LYS A 266 13.075 0.735 10.883 1.00 34.95 C +ATOM 1992 CD LYS A 266 12.386 -0.205 11.885 1.00 37.72 C +ATOM 1993 CE LYS A 266 11.222 -1.009 11.295 1.00 42.27 C +ATOM 1994 NZ LYS A 266 9.986 -0.267 10.860 1.00 44.25 N +ATOM 1995 N ALA A 267 14.334 0.082 6.621 1.00 30.87 N +ATOM 1996 CA ALA A 267 14.553 -0.604 5.331 1.00 32.38 C +ATOM 1997 C ALA A 267 16.016 -0.557 4.894 1.00 34.20 C +ATOM 1998 O ALA A 267 16.540 -1.538 4.355 1.00 35.43 O +ATOM 1999 CB ALA A 267 13.671 0.007 4.232 1.00 29.90 C +ATOM 2000 N LYS A 268 16.672 0.581 5.139 1.00 34.55 N +ATOM 2001 CA LYS A 268 18.078 0.767 4.789 1.00 35.18 C +ATOM 2002 C LYS A 268 19.003 0.185 5.851 1.00 35.46 C +ATOM 2003 O LYS A 268 20.205 0.445 5.822 1.00 36.32 O +ATOM 2004 CB LYS A 268 18.418 2.247 4.677 1.00 35.37 C +ATOM 2005 CG LYS A 268 17.477 3.093 3.866 1.00 38.77 C +ATOM 2006 CD LYS A 268 17.852 4.538 4.116 1.00 42.22 C +ATOM 2007 CE LYS A 268 17.178 5.501 3.164 1.00 46.26 C +ATOM 2008 NZ LYS A 268 17.610 6.916 3.469 1.00 47.80 N +ATOM 2009 N LYS A 269 18.459 -0.581 6.789 1.00 35.51 N +ATOM 2010 CA LYS A 269 19.261 -1.158 7.865 1.00 36.78 C +ATOM 2011 C LYS A 269 19.897 -0.089 8.764 1.00 36.48 C +ATOM 2012 O LYS A 269 20.986 -0.300 9.311 1.00 38.50 O +ATOM 2013 CB LYS A 269 20.347 -2.068 7.284 1.00 38.42 C +ATOM 2014 CG LYS A 269 19.785 -3.192 6.405 1.00 42.45 C +ATOM 2015 CD LYS A 269 20.873 -4.186 5.998 1.00 44.91 C +ATOM 2016 CE LYS A 269 20.352 -5.228 4.989 1.00 47.02 C +ATOM 2017 NZ LYS A 269 19.076 -5.895 5.443 1.00 48.29 N +ATOM 2018 N GLN A 270 19.240 1.064 8.895 1.00 35.05 N +ATOM 2019 CA GLN A 270 19.746 2.146 9.743 1.00 34.05 C +ATOM 2020 C GLN A 270 18.918 2.239 11.025 1.00 32.07 C +ATOM 2021 O GLN A 270 17.884 1.605 11.149 1.00 32.08 O +ATOM 2022 CB GLN A 270 19.753 3.482 8.981 1.00 35.77 C +ATOM 2023 CG GLN A 270 20.870 3.600 7.925 1.00 37.40 C +ATOM 2024 CD GLN A 270 20.698 4.794 7.001 1.00 37.66 C +ATOM 2025 OE1 GLN A 270 19.665 5.459 7.006 1.00 39.60 O +ATOM 2026 NE2 GLN A 270 21.707 5.062 6.192 1.00 40.03 N +ATOM 2027 N ASP A 271 19.339 3.078 11.954 1.00 30.90 N +ATOM 2028 CA ASP A 271 18.657 3.200 13.228 1.00 30.39 C +ATOM 2029 C ASP A 271 17.869 4.489 13.338 1.00 28.47 C +ATOM 2030 O ASP A 271 18.447 5.558 13.402 1.00 29.88 O +ATOM 2031 CB ASP A 271 19.715 3.138 14.325 1.00 34.05 C +ATOM 2032 CG ASP A 271 19.129 3.087 15.711 1.00 37.03 C +ATOM 2033 OD1 ASP A 271 19.876 3.409 16.657 1.00 42.65 O +ATOM 2034 OD2 ASP A 271 17.947 2.727 15.872 1.00 38.57 O +ATOM 2035 N PRO A 272 16.539 4.404 13.429 1.00 26.29 N +ATOM 2036 CA PRO A 272 15.676 5.585 13.534 1.00 26.03 C +ATOM 2037 C PRO A 272 15.465 6.138 14.947 1.00 24.17 C +ATOM 2038 O PRO A 272 14.814 7.162 15.121 1.00 25.09 O +ATOM 2039 CB PRO A 272 14.361 5.069 12.974 1.00 25.25 C +ATOM 2040 CG PRO A 272 14.317 3.687 13.558 1.00 25.84 C +ATOM 2041 CD PRO A 272 15.730 3.176 13.320 1.00 24.85 C +ATOM 2042 N SER A 273 16.005 5.461 15.952 1.00 24.07 N +ATOM 2043 CA SER A 273 15.833 5.874 17.353 1.00 23.58 C +ATOM 2044 C SER A 273 16.626 7.101 17.823 1.00 21.80 C +ATOM 2045 O SER A 273 16.160 7.849 18.686 1.00 22.21 O +ATOM 2046 CB SER A 273 16.138 4.690 18.281 1.00 23.83 C +ATOM 2047 OG SER A 273 17.390 4.102 17.953 1.00 27.62 O +ATOM 2048 N GLY A 274 17.803 7.320 17.244 1.00 21.71 N +ATOM 2049 CA GLY A 274 18.623 8.446 17.647 1.00 20.16 C +ATOM 2050 C GLY A 274 17.942 9.796 17.620 1.00 20.64 C +ATOM 2051 O GLY A 274 17.268 10.158 16.652 1.00 21.27 O +ATOM 2052 N ALA A 275 18.180 10.585 18.654 1.00 19.21 N +ATOM 2053 CA ALA A 275 17.583 11.893 18.747 1.00 17.89 C +ATOM 2054 C ALA A 275 17.971 12.825 17.604 1.00 16.63 C +ATOM 2055 O ALA A 275 17.149 13.631 17.186 1.00 16.35 O +ATOM 2056 CB ALA A 275 17.962 12.537 20.067 1.00 19.88 C +ATOM 2057 N PHE A 276 19.200 12.720 17.111 1.00 13.94 N +ATOM 2058 CA PHE A 276 19.665 13.630 16.072 1.00 15.78 C +ATOM 2059 C PHE A 276 19.104 13.360 14.694 1.00 15.89 C +ATOM 2060 O PHE A 276 19.242 14.195 13.811 1.00 16.66 O +ATOM 2061 CB PHE A 276 21.182 13.726 16.055 1.00 15.35 C +ATOM 2062 CG PHE A 276 21.751 14.328 17.309 1.00 20.94 C +ATOM 2063 CD1 PHE A 276 21.050 15.326 17.997 1.00 20.93 C +ATOM 2064 CD2 PHE A 276 22.974 13.905 17.804 1.00 22.64 C +ATOM 2065 CE1 PHE A 276 21.570 15.886 19.149 1.00 22.19 C +ATOM 2066 CE2 PHE A 276 23.504 14.457 18.954 1.00 22.28 C +ATOM 2067 CZ PHE A 276 22.805 15.448 19.626 1.00 22.24 C +ATOM 2068 N VAL A 277 18.499 12.192 14.518 1.00 15.01 N +ATOM 2069 CA VAL A 277 17.825 11.842 13.278 1.00 13.95 C +ATOM 2070 C VAL A 277 16.668 12.831 13.096 1.00 14.25 C +ATOM 2071 O VAL A 277 16.485 13.415 12.032 1.00 15.42 O +ATOM 2072 CB VAL A 277 17.206 10.430 13.394 1.00 12.96 C +ATOM 2073 CG1 VAL A 277 16.332 10.098 12.209 1.00 15.91 C +ATOM 2074 CG2 VAL A 277 18.277 9.387 13.542 1.00 16.57 C +ATOM 2075 N TRP A 278 15.920 13.078 14.171 1.00 13.96 N +ATOM 2076 CA TRP A 278 14.728 13.916 14.142 1.00 12.11 C +ATOM 2077 C TRP A 278 14.971 15.409 14.128 1.00 12.86 C +ATOM 2078 O TRP A 278 14.254 16.142 13.445 1.00 12.69 O +ATOM 2079 CB TRP A 278 13.800 13.503 15.298 1.00 14.85 C +ATOM 2080 CG TRP A 278 13.540 12.034 15.227 1.00 15.90 C +ATOM 2081 CD1 TRP A 278 14.194 11.045 15.919 1.00 14.99 C +ATOM 2082 CD2 TRP A 278 12.698 11.364 14.274 1.00 16.63 C +ATOM 2083 NE1 TRP A 278 13.835 9.809 15.432 1.00 17.72 N +ATOM 2084 CE2 TRP A 278 12.918 9.972 14.429 1.00 17.47 C +ATOM 2085 CE3 TRP A 278 11.793 11.806 13.297 1.00 17.88 C +ATOM 2086 CZ2 TRP A 278 12.263 9.018 13.639 1.00 18.78 C +ATOM 2087 CZ3 TRP A 278 11.135 10.846 12.506 1.00 18.12 C +ATOM 2088 CH2 TRP A 278 11.378 9.475 12.685 1.00 18.15 C +ATOM 2089 N THR A 279 15.975 15.869 14.891 1.00 11.98 N +ATOM 2090 CA THR A 279 16.306 17.285 14.933 1.00 11.46 C +ATOM 2091 C THR A 279 16.883 17.646 13.552 1.00 10.59 C +ATOM 2092 O THR A 279 16.632 18.731 13.074 1.00 10.43 O +ATOM 2093 CB THR A 279 17.321 17.632 16.045 1.00 11.04 C +ATOM 2094 OG1 THR A 279 18.501 16.852 15.884 1.00 12.20 O +ATOM 2095 CG2 THR A 279 16.731 17.350 17.424 1.00 12.33 C +ATOM 2096 N THR A 280 17.659 16.738 12.956 1.00 10.12 N +ATOM 2097 CA THR A 280 18.225 16.961 11.629 1.00 12.37 C +ATOM 2098 C THR A 280 17.143 16.925 10.534 1.00 13.17 C +ATOM 2099 O THR A 280 17.103 17.789 9.679 1.00 13.87 O +ATOM 2100 CB THR A 280 19.354 15.980 11.321 1.00 12.02 C +ATOM 2101 OG1 THR A 280 20.366 16.141 12.312 1.00 13.38 O +ATOM 2102 CG2 THR A 280 19.997 16.282 9.951 1.00 12.88 C +ATOM 2103 N TYR A 281 16.278 15.924 10.557 1.00 13.14 N +ATOM 2104 CA TYR A 281 15.181 15.868 9.599 1.00 13.31 C +ATOM 2105 C TYR A 281 14.351 17.172 9.682 1.00 15.19 C +ATOM 2106 O TYR A 281 14.041 17.781 8.666 1.00 15.43 O +ATOM 2107 CB TYR A 281 14.330 14.606 9.878 1.00 13.50 C +ATOM 2108 CG TYR A 281 13.340 14.247 8.772 1.00 12.92 C +ATOM 2109 CD1 TYR A 281 12.300 15.149 8.403 1.00 12.23 C +ATOM 2110 CD2 TYR A 281 13.457 13.049 8.076 1.00 13.29 C +ATOM 2111 CE1 TYR A 281 11.415 14.860 7.365 1.00 11.60 C +ATOM 2112 CE2 TYR A 281 12.578 12.750 7.029 1.00 13.77 C +ATOM 2113 CZ TYR A 281 11.571 13.647 6.684 1.00 12.22 C +ATOM 2114 OH TYR A 281 10.702 13.318 5.669 1.00 15.80 O +ATOM 2115 N ALA A 282 14.054 17.656 10.885 1.00 12.88 N +ATOM 2116 CA ALA A 282 13.304 18.886 11.043 1.00 11.86 C +ATOM 2117 C ALA A 282 14.068 20.109 10.521 1.00 10.18 C +ATOM 2118 O ALA A 282 13.449 21.065 10.090 1.00 13.18 O +ATOM 2119 CB ALA A 282 12.938 19.090 12.542 1.00 13.48 C +ATOM 2120 N ALA A 283 15.402 20.108 10.593 1.00 10.92 N +ATOM 2121 CA ALA A 283 16.204 21.238 10.107 1.00 10.71 C +ATOM 2122 C ALA A 283 16.026 21.361 8.592 1.00 12.25 C +ATOM 2123 O ALA A 283 15.902 22.475 8.087 1.00 13.99 O +ATOM 2124 CB ALA A 283 17.682 21.061 10.435 1.00 10.05 C +ATOM 2125 N LEU A 284 16.028 20.229 7.888 1.00 13.45 N +ATOM 2126 CA LEU A 284 15.798 20.210 6.429 1.00 14.46 C +ATOM 2127 C LEU A 284 14.357 20.673 6.084 1.00 16.41 C +ATOM 2128 O LEU A 284 14.160 21.394 5.109 1.00 15.43 O +ATOM 2129 CB LEU A 284 16.076 18.813 5.834 1.00 12.61 C +ATOM 2130 CG LEU A 284 17.515 18.471 5.405 1.00 14.55 C +ATOM 2131 CD1 LEU A 284 18.087 19.558 4.487 1.00 15.72 C +ATOM 2132 CD2 LEU A 284 18.422 18.285 6.586 1.00 17.94 C +ATOM 2133 N GLN A 285 13.354 20.269 6.879 1.00 14.57 N +ATOM 2134 CA GLN A 285 11.968 20.708 6.687 1.00 12.95 C +ATOM 2135 C GLN A 285 11.857 22.194 6.900 1.00 13.73 C +ATOM 2136 O GLN A 285 11.036 22.861 6.282 1.00 14.93 O +ATOM 2137 CB GLN A 285 10.986 19.994 7.623 1.00 12.16 C +ATOM 2138 CG GLN A 285 10.853 18.503 7.398 1.00 15.91 C +ATOM 2139 CD GLN A 285 9.803 17.843 8.295 1.00 19.22 C +ATOM 2140 OE1 GLN A 285 10.024 17.643 9.497 1.00 20.02 O +ATOM 2141 NE2 GLN A 285 8.670 17.482 7.712 1.00 17.81 N +ATOM 2142 N SER A 286 12.702 22.747 7.755 1.00 13.82 N +ATOM 2143 CA SER A 286 12.676 24.189 7.999 1.00 14.04 C +ATOM 2144 C SER A 286 13.304 24.949 6.826 1.00 13.63 C +ATOM 2145 O SER A 286 12.830 26.016 6.431 1.00 13.04 O +ATOM 2146 CB SER A 286 13.425 24.538 9.297 1.00 15.59 C +ATOM 2147 OG SER A 286 12.758 23.983 10.419 1.00 17.22 O +ATOM 2148 N LEU A 287 14.445 24.453 6.364 1.00 13.55 N +ATOM 2149 CA LEU A 287 15.137 25.070 5.243 1.00 12.49 C +ATOM 2150 C LEU A 287 14.173 24.977 4.042 1.00 14.15 C +ATOM 2151 O LEU A 287 14.046 25.918 3.281 1.00 15.79 O +ATOM 2152 CB LEU A 287 16.436 24.320 4.958 1.00 13.40 C +ATOM 2153 CG LEU A 287 17.201 24.805 3.722 1.00 14.61 C +ATOM 2154 CD1 LEU A 287 17.627 26.256 3.936 1.00 13.42 C +ATOM 2155 CD2 LEU A 287 18.389 23.873 3.425 1.00 12.57 C +ATOM 2156 N GLN A 288 13.485 23.850 3.889 1.00 15.19 N +ATOM 2157 CA GLN A 288 12.511 23.688 2.790 1.00 16.93 C +ATOM 2158 C GLN A 288 11.446 24.783 2.817 1.00 17.35 C +ATOM 2159 O GLN A 288 11.143 25.380 1.778 1.00 18.24 O +ATOM 2160 CB GLN A 288 11.839 22.318 2.850 1.00 17.35 C +ATOM 2161 CG GLN A 288 10.606 22.194 1.972 1.00 21.61 C +ATOM 2162 CD GLN A 288 9.944 20.849 2.079 1.00 24.60 C +ATOM 2163 OE1 GLN A 288 9.982 20.207 3.121 1.00 30.48 O +ATOM 2164 NE2 GLN A 288 9.327 20.407 1.000 1.00 27.92 N +ATOM 2165 N ALA A 289 10.873 25.041 4.001 1.00 18.20 N +ATOM 2166 CA ALA A 289 9.850 26.081 4.161 1.00 18.44 C +ATOM 2167 C ALA A 289 10.426 27.435 3.762 1.00 18.59 C +ATOM 2168 O ALA A 289 9.793 28.221 3.067 1.00 19.97 O +ATOM 2169 CB ALA A 289 9.323 26.117 5.618 1.00 17.62 C +ATOM 2170 N GLY A 290 11.657 27.685 4.168 1.00 17.98 N +ATOM 2171 CA GLY A 290 12.312 28.925 3.808 1.00 17.23 C +ATOM 2172 C GLY A 290 12.567 29.053 2.305 1.00 17.27 C +ATOM 2173 O GLY A 290 12.287 30.100 1.726 1.00 15.99 O +ATOM 2174 N LEU A 291 13.126 28.014 1.689 1.00 16.83 N +ATOM 2175 CA LEU A 291 13.414 28.001 0.241 1.00 17.03 C +ATOM 2176 C LEU A 291 12.166 28.204 -0.629 1.00 20.39 C +ATOM 2177 O LEU A 291 12.264 28.690 -1.764 1.00 20.17 O +ATOM 2178 CB LEU A 291 14.136 26.709 -0.161 1.00 14.85 C +ATOM 2179 CG LEU A 291 15.603 26.551 0.278 1.00 15.78 C +ATOM 2180 CD1 LEU A 291 16.096 25.164 -0.031 1.00 15.27 C +ATOM 2181 CD2 LEU A 291 16.482 27.606 -0.375 1.00 13.94 C +ATOM 2182 N ASN A 292 10.999 27.803 -0.140 1.00 20.88 N +ATOM 2183 CA ASN A 292 9.789 28.029 -0.909 1.00 23.40 C +ATOM 2184 C ASN A 292 9.451 29.503 -0.952 1.00 24.21 C +ATOM 2185 O ASN A 292 8.689 29.935 -1.811 1.00 27.13 O +ATOM 2186 CB ASN A 292 8.611 27.214 -0.377 1.00 25.15 C +ATOM 2187 CG ASN A 292 8.534 25.845 -1.023 1.00 29.19 C +ATOM 2188 OD1 ASN A 292 8.967 24.833 -0.451 1.00 33.06 O +ATOM 2189 ND2 ASN A 292 8.054 25.811 -2.261 1.00 31.17 N +ATOM 2190 N GLN A 293 10.081 30.291 -0.091 1.00 24.27 N +ATOM 2191 CA GLN A 293 9.821 31.727 -0.035 1.00 24.45 C +ATOM 2192 C GLN A 293 10.917 32.561 -0.678 1.00 24.98 C +ATOM 2193 O GLN A 293 10.635 33.598 -1.285 1.00 26.29 O +ATOM 2194 CB GLN A 293 9.677 32.200 1.421 1.00 26.23 C +ATOM 2195 CG GLN A 293 8.615 31.474 2.202 1.00 30.61 C +ATOM 2196 CD GLN A 293 7.236 31.712 1.632 1.00 35.56 C +ATOM 2197 OE1 GLN A 293 6.451 30.771 1.453 1.00 37.43 O +ATOM 2198 NE2 GLN A 293 6.917 32.980 1.354 1.00 38.15 N +ATOM 2199 N SER A 294 12.169 32.146 -0.504 1.00 21.98 N +ATOM 2200 CA SER A 294 13.283 32.915 -1.023 1.00 18.89 C +ATOM 2201 C SER A 294 14.507 32.043 -1.071 1.00 19.87 C +ATOM 2202 O SER A 294 14.536 30.991 -0.434 1.00 19.59 O +ATOM 2203 CB SER A 294 13.528 34.075 -0.070 1.00 18.21 C +ATOM 2204 OG SER A 294 14.722 34.760 -0.373 1.00 22.37 O +ATOM 2205 N ASP A 295 15.492 32.438 -1.872 1.00 20.52 N +ATOM 2206 CA ASP A 295 16.748 31.699 -1.966 1.00 20.95 C +ATOM 2207 C ASP A 295 17.839 32.419 -1.193 1.00 19.76 C +ATOM 2208 O ASP A 295 18.939 31.895 -1.041 1.00 18.85 O +ATOM 2209 CB ASP A 295 17.214 31.600 -3.412 1.00 28.57 C +ATOM 2210 CG ASP A 295 16.628 30.426 -4.119 1.00 36.58 C +ATOM 2211 OD1 ASP A 295 16.898 29.280 -3.694 1.00 43.68 O +ATOM 2212 OD2 ASP A 295 15.885 30.636 -5.097 1.00 42.46 O +ATOM 2213 N ASP A 296 17.528 33.618 -0.726 1.00 16.91 N +ATOM 2214 CA ASP A 296 18.481 34.474 -0.024 1.00 17.98 C +ATOM 2215 C ASP A 296 18.498 34.109 1.473 1.00 16.81 C +ATOM 2216 O ASP A 296 17.476 34.240 2.145 1.00 15.66 O +ATOM 2217 CB ASP A 296 18.016 35.919 -0.245 1.00 17.73 C +ATOM 2218 CG ASP A 296 18.888 36.951 0.426 1.00 21.33 C +ATOM 2219 OD1 ASP A 296 19.929 36.628 1.032 1.00 22.59 O +ATOM 2220 OD2 ASP A 296 18.513 38.132 0.333 1.00 22.59 O +ATOM 2221 N PRO A 297 19.667 33.689 2.006 1.00 17.31 N +ATOM 2222 CA PRO A 297 19.829 33.301 3.418 1.00 16.77 C +ATOM 2223 C PRO A 297 19.246 34.298 4.393 1.00 17.51 C +ATOM 2224 O PRO A 297 18.482 33.932 5.261 1.00 17.98 O +ATOM 2225 CB PRO A 297 21.337 33.247 3.581 1.00 15.41 C +ATOM 2226 CG PRO A 297 21.791 32.717 2.290 1.00 18.26 C +ATOM 2227 CD PRO A 297 20.942 33.511 1.284 1.00 15.96 C +ATOM 2228 N ALA A 298 19.551 35.573 4.203 1.00 18.55 N +ATOM 2229 CA ALA A 298 19.068 36.608 5.108 1.00 20.34 C +ATOM 2230 C ALA A 298 17.557 36.709 5.187 1.00 22.23 C +ATOM 2231 O ALA A 298 16.990 37.003 6.236 1.00 22.04 O +ATOM 2232 CB ALA A 298 19.692 37.970 4.734 1.00 20.07 C +ATOM 2233 N GLU A 299 16.902 36.417 4.075 1.00 22.08 N +ATOM 2234 CA GLU A 299 15.458 36.485 3.973 1.00 21.11 C +ATOM 2235 C GLU A 299 14.829 35.215 4.543 1.00 18.52 C +ATOM 2236 O GLU A 299 13.742 35.262 5.106 1.00 19.70 O +ATOM 2237 CB GLU A 299 15.082 36.672 2.503 1.00 23.68 C +ATOM 2238 CG GLU A 299 13.720 37.223 2.270 1.00 27.79 C +ATOM 2239 CD GLU A 299 13.504 38.560 2.948 1.00 28.58 C +ATOM 2240 OE1 GLU A 299 14.463 39.333 3.137 1.00 28.49 O +ATOM 2241 OE2 GLU A 299 12.346 38.832 3.302 1.00 33.88 O +ATOM 2242 N ILE A 300 15.482 34.074 4.365 1.00 17.27 N +ATOM 2243 CA ILE A 300 14.965 32.817 4.913 1.00 16.91 C +ATOM 2244 C ILE A 300 14.980 32.913 6.456 1.00 17.89 C +ATOM 2245 O ILE A 300 14.006 32.507 7.101 1.00 18.65 O +ATOM 2246 CB ILE A 300 15.819 31.611 4.454 1.00 18.67 C +ATOM 2247 CG1 ILE A 300 15.649 31.402 2.939 1.00 16.78 C +ATOM 2248 CG2 ILE A 300 15.423 30.343 5.217 1.00 15.98 C +ATOM 2249 CD1 ILE A 300 16.667 30.428 2.293 1.00 16.25 C +ATOM 2250 N ALA A 301 16.071 33.437 7.034 1.00 17.25 N +ATOM 2251 CA ALA A 301 16.189 33.613 8.505 1.00 19.01 C +ATOM 2252 C ALA A 301 15.022 34.462 8.998 1.00 20.50 C +ATOM 2253 O ALA A 301 14.326 34.063 9.943 1.00 21.10 O +ATOM 2254 CB ALA A 301 17.512 34.278 8.893 1.00 17.94 C +ATOM 2255 N LYS A 302 14.782 35.602 8.335 1.00 21.12 N +ATOM 2256 CA LYS A 302 13.670 36.495 8.697 1.00 23.47 C +ATOM 2257 C LYS A 302 12.307 35.836 8.604 1.00 23.31 C +ATOM 2258 O LYS A 302 11.441 36.071 9.445 1.00 23.77 O +ATOM 2259 CB LYS A 302 13.651 37.756 7.835 1.00 28.40 C +ATOM 2260 CG LYS A 302 14.848 38.638 8.033 1.00 35.07 C +ATOM 2261 CD LYS A 302 14.730 39.900 7.205 1.00 43.25 C +ATOM 2262 CE LYS A 302 16.028 40.695 7.247 1.00 47.09 C +ATOM 2263 NZ LYS A 302 15.972 41.866 6.299 1.00 52.66 N +ATOM 2264 N TYR A 303 12.105 35.035 7.565 1.00 21.21 N +ATOM 2265 CA TYR A 303 10.843 34.336 7.373 1.00 21.33 C +ATOM 2266 C TYR A 303 10.643 33.302 8.497 1.00 23.27 C +ATOM 2267 O TYR A 303 9.561 33.222 9.087 1.00 24.33 O +ATOM 2268 CB TYR A 303 10.801 33.649 5.979 1.00 22.09 C +ATOM 2269 CG TYR A 303 9.620 32.713 5.768 1.00 22.80 C +ATOM 2270 CD1 TYR A 303 9.739 31.354 6.015 1.00 23.53 C +ATOM 2271 CD2 TYR A 303 8.354 33.204 5.414 1.00 25.40 C +ATOM 2272 CE1 TYR A 303 8.633 30.507 5.942 1.00 25.47 C +ATOM 2273 CE2 TYR A 303 7.239 32.354 5.338 1.00 23.34 C +ATOM 2274 CZ TYR A 303 7.394 31.020 5.611 1.00 25.53 C +ATOM 2275 OH TYR A 303 6.299 30.192 5.616 1.00 28.43 O +ATOM 2276 N LEU A 304 11.666 32.500 8.783 1.00 21.93 N +ATOM 2277 CA LEU A 304 11.539 31.482 9.829 1.00 21.35 C +ATOM 2278 C LEU A 304 11.228 32.081 11.207 1.00 20.62 C +ATOM 2279 O LEU A 304 10.421 31.536 11.960 1.00 20.97 O +ATOM 2280 CB LEU A 304 12.803 30.632 9.895 1.00 18.75 C +ATOM 2281 CG LEU A 304 12.972 29.753 8.665 1.00 19.74 C +ATOM 2282 CD1 LEU A 304 14.224 28.897 8.800 1.00 17.76 C +ATOM 2283 CD2 LEU A 304 11.733 28.889 8.510 1.00 18.56 C +ATOM 2284 N LYS A 305 11.880 33.192 11.521 1.00 19.44 N +ATOM 2285 CA LYS A 305 11.689 33.881 12.791 1.00 21.00 C +ATOM 2286 C LYS A 305 10.320 34.517 12.936 1.00 23.86 C +ATOM 2287 O LYS A 305 9.899 34.814 14.048 1.00 26.78 O +ATOM 2288 CB LYS A 305 12.777 34.940 13.005 1.00 20.91 C +ATOM 2289 CG LYS A 305 14.138 34.335 13.291 1.00 18.67 C +ATOM 2290 CD LYS A 305 15.219 35.374 13.443 1.00 17.54 C +ATOM 2291 CE LYS A 305 16.535 34.678 13.500 1.00 17.33 C +ATOM 2292 NZ LYS A 305 17.661 35.604 13.652 1.00 20.54 N +ATOM 2293 N ALA A 306 9.615 34.727 11.830 1.00 24.38 N +ATOM 2294 CA ALA A 306 8.290 35.330 11.897 1.00 24.91 C +ATOM 2295 C ALA A 306 7.172 34.351 11.717 1.00 24.38 C +ATOM 2296 O ALA A 306 6.025 34.712 11.899 1.00 27.24 O +ATOM 2297 CB ALA A 306 8.163 36.404 10.840 1.00 25.40 C +ATOM 2298 N ASN A 307 7.495 33.110 11.379 1.00 24.40 N +ATOM 2299 CA ASN A 307 6.481 32.090 11.105 1.00 25.40 C +ATOM 2300 C ASN A 307 6.677 30.780 11.848 1.00 25.09 C +ATOM 2301 O ASN A 307 7.686 30.569 12.517 1.00 27.76 O +ATOM 2302 CB ASN A 307 6.451 31.785 9.591 1.00 27.37 C +ATOM 2303 CG ASN A 307 5.942 32.951 8.767 1.00 28.42 C +ATOM 2304 OD1 ASN A 307 4.777 32.980 8.407 1.00 33.71 O +ATOM 2305 ND2 ASN A 307 6.801 33.915 8.475 1.00 28.12 N +ATOM 2306 N SER A 308 5.718 29.886 11.680 1.00 24.82 N +ATOM 2307 CA SER A 308 5.759 28.577 12.304 1.00 26.57 C +ATOM 2308 C SER A 308 5.892 27.548 11.200 1.00 25.80 C +ATOM 2309 O SER A 308 5.348 27.738 10.120 1.00 27.16 O +ATOM 2310 CB SER A 308 4.471 28.341 13.084 1.00 29.78 C +ATOM 2311 OG SER A 308 4.381 27.002 13.546 1.00 37.28 O +ATOM 2312 N VAL A 309 6.613 26.472 11.463 1.00 23.06 N +ATOM 2313 CA VAL A 309 6.831 25.430 10.471 1.00 21.48 C +ATOM 2314 C VAL A 309 6.454 24.086 11.063 1.00 22.98 C +ATOM 2315 O VAL A 309 6.852 23.768 12.173 1.00 23.12 O +ATOM 2316 CB VAL A 309 8.314 25.402 10.060 1.00 19.57 C +ATOM 2317 CG1 VAL A 309 8.591 24.281 9.081 1.00 18.61 C +ATOM 2318 CG2 VAL A 309 8.716 26.746 9.500 1.00 20.37 C +ATOM 2319 N ASP A 310 5.664 23.305 10.342 1.00 23.13 N +ATOM 2320 CA ASP A 310 5.273 21.992 10.817 1.00 25.64 C +ATOM 2321 C ASP A 310 6.350 20.995 10.440 1.00 24.12 C +ATOM 2322 O ASP A 310 6.719 20.906 9.277 1.00 24.63 O +ATOM 2323 CB ASP A 310 3.917 21.610 10.241 1.00 32.29 C +ATOM 2324 CG ASP A 310 2.798 22.326 10.945 1.00 39.18 C +ATOM 2325 OD1 ASP A 310 2.153 23.204 10.336 1.00 42.45 O +ATOM 2326 OD2 ASP A 310 2.608 22.055 12.153 1.00 44.35 O +ATOM 2327 N THR A 311 6.903 20.310 11.436 1.00 20.11 N +ATOM 2328 CA THR A 311 7.983 19.364 11.213 1.00 17.63 C +ATOM 2329 C THR A 311 7.659 18.058 11.913 1.00 17.20 C +ATOM 2330 O THR A 311 6.607 17.940 12.522 1.00 18.47 O +ATOM 2331 CB THR A 311 9.300 19.911 11.815 1.00 17.81 C +ATOM 2332 OG1 THR A 311 9.190 19.928 13.249 1.00 17.88 O +ATOM 2333 CG2 THR A 311 9.556 21.309 11.359 1.00 13.98 C +ATOM 2334 N VAL A 312 8.568 17.085 11.836 1.00 16.60 N +ATOM 2335 CA VAL A 312 8.403 15.787 12.480 1.00 15.98 C +ATOM 2336 C VAL A 312 8.499 15.901 14.022 1.00 15.45 C +ATOM 2337 O VAL A 312 8.206 14.933 14.725 1.00 16.97 O +ATOM 2338 CB VAL A 312 9.450 14.764 11.978 1.00 17.87 C +ATOM 2339 CG1 VAL A 312 9.219 14.442 10.514 1.00 16.60 C +ATOM 2340 CG2 VAL A 312 10.853 15.305 12.180 1.00 15.09 C +ATOM 2341 N MET A 313 8.876 17.087 14.511 1.00 15.48 N +ATOM 2342 CA MET A 313 9.002 17.398 15.956 1.00 17.36 C +ATOM 2343 C MET A 313 7.808 18.269 16.387 1.00 20.12 C +ATOM 2344 O MET A 313 7.769 18.762 17.523 1.00 21.18 O +ATOM 2345 CB MET A 313 10.275 18.210 16.232 1.00 16.04 C +ATOM 2346 CG MET A 313 11.576 17.422 16.243 1.00 16.86 C +ATOM 2347 SD MET A 313 12.995 18.527 16.292 1.00 24.91 S +ATOM 2348 CE MET A 313 13.008 19.053 18.056 1.00 24.06 C +ATOM 2349 N GLY A 314 6.842 18.443 15.481 1.00 19.51 N +ATOM 2350 CA GLY A 314 5.679 19.284 15.722 1.00 19.43 C +ATOM 2351 C GLY A 314 5.941 20.670 15.156 1.00 20.02 C +ATOM 2352 O GLY A 314 6.915 20.847 14.413 1.00 21.03 O +ATOM 2353 N PRO A 315 5.070 21.659 15.414 1.00 21.35 N +ATOM 2354 CA PRO A 315 5.269 23.023 14.908 1.00 21.82 C +ATOM 2355 C PRO A 315 6.405 23.712 15.675 1.00 22.51 C +ATOM 2356 O PRO A 315 6.465 23.671 16.903 1.00 24.13 O +ATOM 2357 CB PRO A 315 3.943 23.722 15.209 1.00 21.48 C +ATOM 2358 CG PRO A 315 2.966 22.623 15.331 1.00 25.37 C +ATOM 2359 CD PRO A 315 3.725 21.501 15.996 1.00 23.63 C +ATOM 2360 N LEU A 316 7.334 24.298 14.949 1.00 19.88 N +ATOM 2361 CA LEU A 316 8.442 24.988 15.554 1.00 20.61 C +ATOM 2362 C LEU A 316 8.303 26.462 15.254 1.00 20.43 C +ATOM 2363 O LEU A 316 7.784 26.838 14.198 1.00 20.46 O +ATOM 2364 CB LEU A 316 9.772 24.489 14.965 1.00 21.62 C +ATOM 2365 CG LEU A 316 10.237 23.047 15.177 1.00 24.29 C +ATOM 2366 CD1 LEU A 316 11.616 22.824 14.508 1.00 22.41 C +ATOM 2367 CD2 LEU A 316 10.302 22.756 16.681 1.00 20.50 C +ATOM 2368 N THR A 317 8.798 27.291 16.163 1.00 19.07 N +ATOM 2369 CA THR A 317 8.802 28.734 16.011 1.00 21.10 C +ATOM 2370 C THR A 317 10.123 29.136 16.626 1.00 20.84 C +ATOM 2371 O THR A 317 10.645 28.417 17.482 1.00 22.42 O +ATOM 2372 CB THR A 317 7.623 29.429 16.735 1.00 24.68 C +ATOM 2373 OG1 THR A 317 7.357 28.762 17.971 1.00 30.11 O +ATOM 2374 CG2 THR A 317 6.376 29.365 15.895 1.00 28.48 C +ATOM 2375 N TRP A 318 10.679 30.257 16.195 1.00 19.37 N +ATOM 2376 CA TRP A 318 11.967 30.708 16.668 1.00 18.88 C +ATOM 2377 C TRP A 318 11.889 32.096 17.258 1.00 21.48 C +ATOM 2378 O TRP A 318 11.021 32.899 16.880 1.00 23.30 O +ATOM 2379 CB TRP A 318 12.971 30.765 15.501 1.00 16.95 C +ATOM 2380 CG TRP A 318 13.384 29.444 14.963 1.00 14.64 C +ATOM 2381 CD1 TRP A 318 14.492 28.743 15.310 1.00 13.96 C +ATOM 2382 CD2 TRP A 318 12.672 28.635 14.022 1.00 14.09 C +ATOM 2383 NE1 TRP A 318 14.511 27.540 14.661 1.00 15.62 N +ATOM 2384 CE2 TRP A 318 13.405 27.440 13.861 1.00 13.22 C +ATOM 2385 CE3 TRP A 318 11.475 28.803 13.296 1.00 16.29 C +ATOM 2386 CZ2 TRP A 318 12.989 26.403 13.010 1.00 14.00 C +ATOM 2387 CZ3 TRP A 318 11.057 27.758 12.438 1.00 13.69 C +ATOM 2388 CH2 TRP A 318 11.814 26.581 12.312 1.00 14.20 C +ATOM 2389 N ASP A 319 12.769 32.375 18.210 1.00 20.24 N +ATOM 2390 CA ASP A 319 12.808 33.715 18.743 1.00 22.76 C +ATOM 2391 C ASP A 319 13.800 34.527 17.891 1.00 24.43 C +ATOM 2392 O ASP A 319 14.426 33.995 16.956 1.00 23.05 O +ATOM 2393 CB ASP A 319 13.111 33.750 20.260 1.00 24.23 C +ATOM 2394 CG ASP A 319 14.520 33.330 20.618 1.00 25.18 C +ATOM 2395 OD1 ASP A 319 14.738 33.085 21.814 1.00 25.80 O +ATOM 2396 OD2 ASP A 319 15.417 33.267 19.762 1.00 22.85 O +ATOM 2397 N GLU A 320 14.002 35.789 18.233 1.00 25.36 N +ATOM 2398 CA GLU A 320 14.878 36.604 17.423 1.00 26.40 C +ATOM 2399 C GLU A 320 16.342 36.255 17.404 1.00 26.21 C +ATOM 2400 O GLU A 320 17.049 36.640 16.491 1.00 27.32 O +ATOM 2401 CB GLU A 320 14.673 38.071 17.738 1.00 30.54 C +ATOM 2402 CG GLU A 320 13.319 38.583 17.229 1.00 39.60 C +ATOM 2403 CD GLU A 320 13.107 38.337 15.726 1.00 42.94 C +ATOM 2404 OE1 GLU A 320 12.055 37.749 15.361 1.00 45.34 O +ATOM 2405 OE2 GLU A 320 13.995 38.728 14.919 1.00 43.97 O +ATOM 2406 N LYS A 321 16.827 35.531 18.397 1.00 24.32 N +ATOM 2407 CA LYS A 321 18.226 35.192 18.388 1.00 21.57 C +ATOM 2408 C LYS A 321 18.493 33.840 17.756 1.00 20.64 C +ATOM 2409 O LYS A 321 19.634 33.413 17.693 1.00 22.72 O +ATOM 2410 CB LYS A 321 18.846 35.273 19.785 1.00 25.41 C +ATOM 2411 CG LYS A 321 18.154 34.465 20.849 1.00 26.76 C +ATOM 2412 CD LYS A 321 18.971 34.462 22.144 1.00 28.71 C +ATOM 2413 CE LYS A 321 18.061 34.240 23.323 1.00 30.11 C +ATOM 2414 NZ LYS A 321 17.158 33.065 23.114 1.00 31.99 N +ATOM 2415 N GLY A 322 17.454 33.158 17.295 1.00 19.97 N +ATOM 2416 CA GLY A 322 17.684 31.869 16.662 1.00 18.19 C +ATOM 2417 C GLY A 322 17.389 30.627 17.461 1.00 18.34 C +ATOM 2418 O GLY A 322 17.574 29.527 16.971 1.00 18.65 O +ATOM 2419 N ASP A 323 16.914 30.779 18.689 1.00 18.27 N +ATOM 2420 CA ASP A 323 16.582 29.612 19.500 1.00 17.55 C +ATOM 2421 C ASP A 323 15.119 29.241 19.332 1.00 16.82 C +ATOM 2422 O ASP A 323 14.267 30.096 19.057 1.00 17.38 O +ATOM 2423 CB ASP A 323 16.816 29.895 20.989 1.00 17.72 C +ATOM 2424 CG ASP A 323 18.248 30.110 21.324 1.00 17.99 C +ATOM 2425 OD1 ASP A 323 19.110 29.372 20.872 1.00 21.11 O +ATOM 2426 OD2 ASP A 323 18.526 31.012 22.104 1.00 24.24 O +ATOM 2427 N LEU A 324 14.809 27.967 19.499 1.00 15.29 N +ATOM 2428 CA LEU A 324 13.417 27.554 19.428 1.00 17.67 C +ATOM 2429 C LEU A 324 12.670 28.223 20.586 1.00 20.19 C +ATOM 2430 O LEU A 324 13.226 28.377 21.678 1.00 21.55 O +ATOM 2431 CB LEU A 324 13.292 26.048 19.573 1.00 18.52 C +ATOM 2432 CG LEU A 324 13.746 25.200 18.390 1.00 16.31 C +ATOM 2433 CD1 LEU A 324 13.746 23.748 18.823 1.00 16.94 C +ATOM 2434 CD2 LEU A 324 12.802 25.431 17.220 1.00 17.36 C +ATOM 2435 N LYS A 325 11.450 28.668 20.356 1.00 20.33 N +ATOM 2436 CA LYS A 325 10.740 29.295 21.433 1.00 23.15 C +ATOM 2437 C LYS A 325 9.506 28.509 21.793 1.00 22.82 C +ATOM 2438 O LYS A 325 8.890 27.897 20.930 1.00 25.41 O +ATOM 2439 CB LYS A 325 10.459 30.746 21.108 1.00 26.47 C +ATOM 2440 CG LYS A 325 9.318 31.030 20.220 1.00 31.30 C +ATOM 2441 CD LYS A 325 9.162 32.548 20.158 1.00 36.10 C +ATOM 2442 CE LYS A 325 8.079 32.967 19.179 1.00 39.81 C +ATOM 2443 NZ LYS A 325 8.190 34.426 18.839 1.00 43.37 N +ATOM 2444 N GLY A 326 9.223 28.423 23.094 1.00 24.14 N +ATOM 2445 CA GLY A 326 8.081 27.679 23.581 1.00 21.72 C +ATOM 2446 C GLY A 326 8.302 26.195 23.403 1.00 23.01 C +ATOM 2447 O GLY A 326 7.349 25.414 23.390 1.00 24.90 O +ATOM 2448 N PHE A 327 9.557 25.784 23.255 1.00 22.03 N +ATOM 2449 CA PHE A 327 9.871 24.380 23.057 1.00 20.41 C +ATOM 2450 C PHE A 327 9.636 23.559 24.325 1.00 21.19 C +ATOM 2451 O PHE A 327 10.098 23.951 25.393 1.00 22.31 O +ATOM 2452 CB PHE A 327 11.323 24.231 22.640 1.00 20.66 C +ATOM 2453 CG PHE A 327 11.714 22.819 22.361 1.00 21.76 C +ATOM 2454 CD1 PHE A 327 12.505 22.109 23.260 1.00 21.78 C +ATOM 2455 CD2 PHE A 327 11.243 22.176 21.218 1.00 22.94 C +ATOM 2456 CE1 PHE A 327 12.819 20.777 23.025 1.00 22.40 C +ATOM 2457 CE2 PHE A 327 11.553 20.842 20.977 1.00 22.54 C +ATOM 2458 CZ PHE A 327 12.343 20.140 21.880 1.00 22.66 C +ATOM 2459 N GLU A 328 8.997 22.399 24.185 1.00 20.38 N +ATOM 2460 CA GLU A 328 8.706 21.526 25.316 1.00 21.84 C +ATOM 2461 C GLU A 328 9.353 20.156 25.336 1.00 21.51 C +ATOM 2462 O GLU A 328 9.318 19.426 24.338 1.00 20.64 O +ATOM 2463 CB GLU A 328 7.216 21.326 25.437 1.00 24.71 C +ATOM 2464 CG GLU A 328 6.507 22.602 25.779 1.00 34.73 C +ATOM 2465 CD GLU A 328 5.242 22.346 26.546 1.00 41.89 C +ATOM 2466 OE1 GLU A 328 5.272 22.532 27.783 1.00 44.70 O +ATOM 2467 OE2 GLU A 328 4.231 21.933 25.918 1.00 46.45 O +ATOM 2468 N PHE A 329 9.939 19.799 26.478 1.00 18.53 N +ATOM 2469 CA PHE A 329 10.526 18.478 26.636 1.00 17.78 C +ATOM 2470 C PHE A 329 9.336 17.594 26.969 1.00 16.84 C +ATOM 2471 O PHE A 329 8.225 18.091 27.130 1.00 17.68 O +ATOM 2472 CB PHE A 329 11.494 18.440 27.817 1.00 17.29 C +ATOM 2473 CG PHE A 329 12.900 18.806 27.463 1.00 19.62 C +ATOM 2474 CD1 PHE A 329 13.950 17.933 27.759 1.00 21.37 C +ATOM 2475 CD2 PHE A 329 13.190 20.014 26.850 1.00 19.28 C +ATOM 2476 CE1 PHE A 329 15.264 18.257 27.444 1.00 19.80 C +ATOM 2477 CE2 PHE A 329 14.499 20.349 26.530 1.00 21.13 C +ATOM 2478 CZ PHE A 329 15.536 19.475 26.827 1.00 21.13 C +ATOM 2479 N GLY A 330 9.549 16.292 27.003 1.00 15.45 N +ATOM 2480 CA GLY A 330 8.485 15.392 27.374 1.00 17.02 C +ATOM 2481 C GLY A 330 8.569 15.185 28.888 1.00 17.80 C +ATOM 2482 O GLY A 330 9.591 15.517 29.505 1.00 18.29 O +ATOM 2483 N VAL A 331 7.471 14.754 29.493 1.00 17.28 N +ATOM 2484 CA VAL A 331 7.421 14.490 30.934 1.00 18.98 C +ATOM 2485 C VAL A 331 7.095 13.004 31.027 1.00 19.64 C +ATOM 2486 O VAL A 331 6.154 12.534 30.378 1.00 19.63 O +ATOM 2487 CB VAL A 331 6.322 15.299 31.644 1.00 18.36 C +ATOM 2488 CG1 VAL A 331 6.311 14.938 33.117 1.00 18.79 C +ATOM 2489 CG2 VAL A 331 6.536 16.775 31.456 1.00 18.14 C +ATOM 2490 N PHE A 332 7.879 12.265 31.814 1.00 19.31 N +ATOM 2491 CA PHE A 332 7.712 10.828 31.940 1.00 20.48 C +ATOM 2492 C PHE A 332 7.617 10.384 33.394 1.00 22.78 C +ATOM 2493 O PHE A 332 8.108 11.074 34.274 1.00 23.06 O +ATOM 2494 CB PHE A 332 8.945 10.113 31.340 1.00 20.71 C +ATOM 2495 CG PHE A 332 9.165 10.375 29.876 1.00 21.21 C +ATOM 2496 CD1 PHE A 332 9.788 11.532 29.443 1.00 19.26 C +ATOM 2497 CD2 PHE A 332 8.764 9.448 28.933 1.00 22.50 C +ATOM 2498 CE1 PHE A 332 10.006 11.782 28.076 1.00 21.54 C +ATOM 2499 CE2 PHE A 332 8.981 9.692 27.545 1.00 24.55 C +ATOM 2500 CZ PHE A 332 9.607 10.868 27.131 1.00 19.05 C +ATOM 2501 N ASP A 333 6.987 9.236 33.629 1.00 24.16 N +ATOM 2502 CA ASP A 333 6.913 8.631 34.957 1.00 25.63 C +ATOM 2503 C ASP A 333 8.047 7.631 35.030 1.00 26.83 C +ATOM 2504 O ASP A 333 8.156 6.754 34.168 1.00 27.38 O +ATOM 2505 CB ASP A 333 5.653 7.823 35.124 1.00 27.34 C +ATOM 2506 CG ASP A 333 4.456 8.666 35.174 1.00 32.36 C +ATOM 2507 OD1 ASP A 333 3.379 8.158 34.808 1.00 38.63 O +ATOM 2508 OD2 ASP A 333 4.577 9.835 35.575 1.00 36.25 O +ATOM 2509 N TRP A 334 8.898 7.746 36.038 1.00 25.69 N +ATOM 2510 CA TRP A 334 9.974 6.796 36.179 1.00 26.16 C +ATOM 2511 C TRP A 334 9.394 5.567 36.861 1.00 26.85 C +ATOM 2512 O TRP A 334 8.371 5.655 37.560 1.00 27.16 O +ATOM 2513 CB TRP A 334 11.085 7.373 37.020 1.00 27.69 C +ATOM 2514 CG TRP A 334 12.358 6.687 36.783 1.00 29.63 C +ATOM 2515 CD1 TRP A 334 12.985 5.805 37.610 1.00 31.00 C +ATOM 2516 CD2 TRP A 334 13.214 6.849 35.647 1.00 31.65 C +ATOM 2517 NE1 TRP A 334 14.189 5.419 37.067 1.00 31.35 N +ATOM 2518 CE2 TRP A 334 14.351 6.048 35.861 1.00 31.86 C +ATOM 2519 CE3 TRP A 334 13.124 7.615 34.476 1.00 31.51 C +ATOM 2520 CZ2 TRP A 334 15.397 5.977 34.944 1.00 31.86 C +ATOM 2521 CZ3 TRP A 334 14.162 7.547 33.571 1.00 31.14 C +ATOM 2522 CH2 TRP A 334 15.286 6.739 33.810 1.00 33.30 C +ATOM 2523 N HIS A 335 10.030 4.420 36.646 1.00 27.23 N +ATOM 2524 CA HIS A 335 9.574 3.177 37.225 1.00 27.67 C +ATOM 2525 C HIS A 335 10.687 2.400 37.901 1.00 29.70 C +ATOM 2526 O HIS A 335 11.864 2.533 37.547 1.00 30.24 O +ATOM 2527 CB HIS A 335 8.886 2.329 36.160 1.00 25.85 C +ATOM 2528 CG HIS A 335 7.561 2.873 35.741 1.00 24.38 C +ATOM 2529 ND1 HIS A 335 7.309 3.345 34.471 1.00 25.85 N +ATOM 2530 CD2 HIS A 335 6.423 3.076 36.445 1.00 23.56 C +ATOM 2531 CE1 HIS A 335 6.076 3.815 34.413 1.00 23.59 C +ATOM 2532 NE2 HIS A 335 5.525 3.666 35.592 1.00 26.37 N +ATOM 2533 N ALA A 336 10.291 1.587 38.881 1.00 31.81 N +ATOM 2534 CA ALA A 336 11.204 0.764 39.663 1.00 34.02 C +ATOM 2535 C ALA A 336 12.114 -0.129 38.816 1.00 35.65 C +ATOM 2536 O ALA A 336 13.223 -0.468 39.239 1.00 37.62 O +ATOM 2537 CB ALA A 336 10.405 -0.083 40.638 1.00 32.80 C +ATOM 2538 N ASN A 337 11.660 -0.509 37.621 1.00 37.76 N +ATOM 2539 CA ASN A 337 12.451 -1.376 36.742 1.00 38.43 C +ATOM 2540 C ASN A 337 13.314 -0.602 35.750 1.00 39.01 C +ATOM 2541 O ASN A 337 13.660 -1.125 34.691 1.00 40.51 O +ATOM 2542 CB ASN A 337 11.546 -2.356 35.992 1.00 39.64 C +ATOM 2543 CG ASN A 337 10.621 -1.664 35.009 1.00 41.64 C +ATOM 2544 OD1 ASN A 337 10.628 -0.434 34.880 1.00 42.01 O +ATOM 2545 ND2 ASN A 337 9.846 -2.448 34.284 1.00 42.30 N +ATOM 2546 N GLY A 338 13.593 0.662 36.060 1.00 38.04 N +ATOM 2547 CA GLY A 338 14.443 1.471 35.206 1.00 39.32 C +ATOM 2548 C GLY A 338 13.786 2.027 33.961 1.00 40.27 C +ATOM 2549 O GLY A 338 14.400 2.790 33.214 1.00 41.50 O +ATOM 2550 N THR A 339 12.544 1.634 33.739 1.00 40.20 N +ATOM 2551 CA THR A 339 11.761 2.081 32.599 1.00 40.57 C +ATOM 2552 C THR A 339 11.175 3.485 32.837 1.00 39.53 C +ATOM 2553 O THR A 339 11.165 3.984 33.971 1.00 38.89 O +ATOM 2554 CB THR A 339 10.657 1.024 32.328 1.00 42.31 C +ATOM 2555 OG1 THR A 339 11.142 0.090 31.361 1.00 44.17 O +ATOM 2556 CG2 THR A 339 9.348 1.629 31.866 1.00 43.66 C +ATOM 2557 N ALA A 340 10.752 4.133 31.756 1.00 36.61 N +ATOM 2558 CA ALA A 340 10.143 5.455 31.808 1.00 35.43 C +ATOM 2559 C ALA A 340 8.970 5.444 30.832 1.00 35.84 C +ATOM 2560 O ALA A 340 9.098 4.943 29.722 1.00 36.42 O +ATOM 2561 CB ALA A 340 11.147 6.502 31.401 1.00 33.71 C +ATOM 2562 N THR A 341 7.809 5.923 31.252 1.00 34.80 N +ATOM 2563 CA THR A 341 6.663 5.941 30.369 1.00 34.43 C +ATOM 2564 C THR A 341 6.031 7.321 30.344 1.00 34.58 C +ATOM 2565 O THR A 341 6.118 8.062 31.305 1.00 31.87 O +ATOM 2566 CB THR A 341 5.634 4.889 30.792 1.00 35.50 C +ATOM 2567 OG1 THR A 341 5.177 5.167 32.119 1.00 36.37 O +ATOM 2568 CG2 THR A 341 6.260 3.500 30.767 1.00 35.18 C +ATOM 2569 N ASP A 342 5.418 7.681 29.220 1.00 36.86 N +ATOM 2570 CA ASP A 342 4.785 8.990 29.083 1.00 37.77 C +ATOM 2571 C ASP A 342 3.821 9.254 30.217 1.00 37.54 C +ATOM 2572 O ASP A 342 2.997 8.406 30.526 1.00 37.94 O +ATOM 2573 CB ASP A 342 4.083 9.078 27.735 1.00 40.97 C +ATOM 2574 CG ASP A 342 5.069 9.094 26.597 1.00 44.23 C +ATOM 2575 OD1 ASP A 342 5.333 10.190 26.070 1.00 48.21 O +ATOM 2576 OD2 ASP A 342 5.635 8.029 26.275 1.00 46.87 O +ATOM 2577 N ALA A 343 3.954 10.404 30.866 1.00 37.00 N +ATOM 2578 CA ALA A 343 3.095 10.739 31.999 1.00 38.14 C +ATOM 2579 C ALA A 343 1.777 11.319 31.548 1.00 40.94 C +ATOM 2580 O ALA A 343 1.656 11.748 30.402 1.00 41.57 O +ATOM 2581 CB ALA A 343 3.801 11.718 32.901 1.00 35.20 C +ATOM 2582 N LYS A 344 0.808 11.386 32.463 1.00 44.48 N +ATOM 2583 CA LYS A 344 -0.496 11.957 32.143 1.00 49.24 C +ATOM 2584 C LYS A 344 -0.331 13.372 31.558 1.00 51.87 C +ATOM 2585 O LYS A 344 -0.934 13.637 30.497 1.00 26.05 O +ATOM 2586 CB LYS A 344 -1.405 12.019 33.375 1.00 49.83 C +ATOM 2587 CG LYS A 344 -1.106 13.179 34.351 1.00 52.25 C +ATOM 2588 CD LYS A 344 -2.383 13.721 35.005 1.00 53.84 C +ATOM 2589 CE LYS A 344 -2.072 14.577 36.246 1.00 54.68 C +ATOM 2590 NZ LYS A 344 -1.567 13.812 37.443 1.00 53.76 N +ATOM 2591 OXT LYS A 344 0.391 14.187 32.163 1.00 26.05 O +TER 2592 LYS A 344 +END diff --git a/bench/main_benchmark/structures/SFB_AL_MBP_1OMPA_1ANFA/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_MBP_1OMPA_1ANFA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0872a2b40bd7b9c9edb2dc417e3647758f98bf88 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_MBP_1OMPA_1ANFA/state_a.pdb @@ -0,0 +1,2864 @@ +ATOM 1 N LYS A 1 -4.615 -25.992 -23.912 1.00 56.81 N +ATOM 2 CA LYS A 1 -4.685 -24.684 -23.241 1.00 57.02 C +ATOM 3 C LYS A 1 -3.382 -24.224 -22.592 1.00 56.60 C +ATOM 4 O LYS A 1 -2.984 -24.649 -21.478 1.00 57.52 O +ATOM 5 CB LYS A 1 -5.837 -24.748 -22.222 1.00 57.07 C +ATOM 6 N ILE A 2 -2.687 -23.311 -23.269 1.00 54.94 N +ATOM 7 CA ILE A 2 -1.429 -22.711 -22.826 1.00 52.17 C +ATOM 8 C ILE A 2 -0.997 -21.574 -23.759 1.00 50.14 C +ATOM 9 O ILE A 2 0.089 -21.548 -24.333 1.00 48.68 O +ATOM 10 CB ILE A 2 -0.336 -23.719 -22.541 1.00 52.43 C +ATOM 11 N GLU A 3 -1.924 -20.646 -23.898 1.00 48.65 N +ATOM 12 CA GLU A 3 -1.825 -19.383 -24.623 1.00 47.01 C +ATOM 13 C GLU A 3 -1.514 -19.500 -26.100 1.00 44.31 C +ATOM 14 O GLU A 3 -2.237 -20.211 -26.799 1.00 44.45 O +ATOM 15 CB GLU A 3 -0.696 -18.586 -23.890 1.00 48.31 C +ATOM 16 N GLU A 4 -0.517 -18.766 -26.528 1.00 40.81 N +ATOM 17 CA GLU A 4 0.072 -18.742 -27.843 1.00 38.78 C +ATOM 18 C GLU A 4 -0.570 -17.895 -28.913 1.00 37.13 C +ATOM 19 O GLU A 4 -1.574 -18.325 -29.502 1.00 37.52 O +ATOM 20 CB GLU A 4 0.197 -20.193 -28.320 1.00 39.35 C +ATOM 21 N GLY A 5 0.008 -16.740 -29.196 1.00 35.06 N +ATOM 22 CA GLY A 5 -0.496 -15.800 -30.206 1.00 33.11 C +ATOM 23 C GLY A 5 -1.571 -14.815 -29.765 1.00 30.69 C +ATOM 24 O GLY A 5 -2.208 -14.131 -30.591 1.00 30.13 O +ATOM 25 N LYS A 6 -1.797 -14.745 -28.467 1.00 28.47 N +ATOM 26 CA LYS A 6 -2.756 -13.818 -27.884 1.00 26.55 C +ATOM 27 C LYS A 6 -2.287 -13.466 -26.486 1.00 25.71 C +ATOM 28 O LYS A 6 -1.188 -13.862 -26.073 1.00 25.21 O +ATOM 29 CB LYS A 6 -4.153 -14.325 -27.928 1.00 26.80 C +ATOM 30 CG LYS A 6 -4.457 -15.547 -27.094 1.00 27.86 C +ATOM 31 CD LYS A 6 -5.955 -15.793 -27.047 1.00 31.02 C +ATOM 32 CE LYS A 6 -6.826 -14.564 -26.880 1.00 32.98 C +ATOM 33 NZ LYS A 6 -6.318 -13.602 -25.863 1.00 32.95 N +ATOM 34 N LEU A 7 -3.071 -12.657 -25.805 1.00 24.11 N +ATOM 35 CA LEU A 7 -2.711 -12.275 -24.417 1.00 22.29 C +ATOM 36 C LEU A 7 -3.934 -12.489 -23.541 1.00 21.35 C +ATOM 37 O LEU A 7 -5.067 -12.221 -23.890 1.00 21.91 O +ATOM 38 CB LEU A 7 -2.118 -10.886 -24.409 1.00 20.78 C +ATOM 39 CG LEU A 7 -0.696 -10.580 -24.771 1.00 18.45 C +ATOM 40 CD1 LEU A 7 -0.451 -9.077 -24.858 1.00 18.81 C +ATOM 41 CD2 LEU A 7 0.286 -11.132 -23.754 1.00 17.75 C +ATOM 42 N VAL A 8 -3.707 -13.094 -22.395 1.00 21.25 N +ATOM 43 CA VAL A 8 -4.758 -13.265 -21.392 1.00 20.48 C +ATOM 44 C VAL A 8 -4.177 -12.594 -20.135 1.00 19.02 C +ATOM 45 O VAL A 8 -3.017 -12.721 -19.775 1.00 18.19 O +ATOM 46 CB VAL A 8 -5.551 -14.510 -21.307 1.00 22.06 C +ATOM 47 CG1 VAL A 8 -5.010 -15.766 -21.952 1.00 24.15 C +ATOM 48 CG2 VAL A 8 -6.012 -14.808 -19.877 1.00 21.85 C +ATOM 49 N ILE A 9 -5.034 -11.736 -19.601 1.00 18.66 N +ATOM 50 CA ILE A 9 -4.697 -10.953 -18.402 1.00 17.11 C +ATOM 51 C ILE A 9 -5.731 -11.198 -17.305 1.00 16.86 C +ATOM 52 O ILE A 9 -6.917 -11.345 -17.603 1.00 16.70 O +ATOM 53 CB ILE A 9 -4.673 -9.432 -18.761 1.00 17.88 C +ATOM 54 CG1 ILE A 9 -3.754 -9.207 -19.982 1.00 18.31 C +ATOM 55 CG2 ILE A 9 -4.271 -8.593 -17.530 1.00 17.04 C +ATOM 56 CD1 ILE A 9 -3.787 -7.730 -20.464 1.00 19.61 C +ATOM 57 N TRP A 10 -5.213 -11.233 -16.105 1.00 17.03 N +ATOM 58 CA TRP A 10 -5.960 -11.413 -14.862 1.00 17.32 C +ATOM 59 C TRP A 10 -5.749 -10.192 -13.972 1.00 16.61 C +ATOM 60 O TRP A 10 -4.624 -9.780 -13.680 1.00 17.95 O +ATOM 61 CB TRP A 10 -5.489 -12.667 -14.157 1.00 18.38 C +ATOM 62 CG TRP A 10 -6.093 -13.919 -14.692 1.00 19.67 C +ATOM 63 CD1 TRP A 10 -6.769 -14.117 -15.852 1.00 19.53 C +ATOM 64 CD2 TRP A 10 -6.006 -15.197 -14.035 1.00 19.64 C +ATOM 65 NE1 TRP A 10 -7.150 -15.418 -15.962 1.00 21.28 N +ATOM 66 CE2 TRP A 10 -6.695 -16.108 -14.853 1.00 21.17 C +ATOM 67 CE3 TRP A 10 -5.424 -15.626 -12.843 1.00 19.18 C +ATOM 68 CZ2 TRP A 10 -6.799 -17.451 -14.514 1.00 20.58 C +ATOM 69 CZ3 TRP A 10 -5.516 -16.956 -12.511 1.00 20.22 C +ATOM 70 CH2 TRP A 10 -6.200 -17.853 -13.329 1.00 20.58 C +ATOM 71 N ILE A 11 -6.861 -9.631 -13.558 1.00 16.81 N +ATOM 72 CA ILE A 11 -6.885 -8.446 -12.694 1.00 15.52 C +ATOM 73 C ILE A 11 -8.097 -8.602 -11.796 1.00 16.75 C +ATOM 74 O ILE A 11 -9.069 -9.234 -12.212 1.00 17.99 O +ATOM 75 CB ILE A 11 -6.930 -7.151 -13.601 1.00 14.80 C +ATOM 76 CG1 ILE A 11 -6.719 -5.892 -12.750 1.00 14.29 C +ATOM 77 CG2 ILE A 11 -8.196 -7.054 -14.481 1.00 12.82 C +ATOM 78 CD1 ILE A 11 -6.238 -4.620 -13.515 1.00 13.21 C +ATOM 79 N ASN A 12 -8.053 -8.074 -10.613 1.00 18.72 N +ATOM 80 CA ASN A 12 -9.190 -8.146 -9.668 1.00 19.92 C +ATOM 81 C ASN A 12 -10.390 -7.349 -10.213 1.00 20.42 C +ATOM 82 O ASN A 12 -10.238 -6.313 -10.853 1.00 18.72 O +ATOM 83 CB ASN A 12 -8.738 -7.659 -8.292 1.00 20.56 C +ATOM 84 CG ASN A 12 -9.506 -8.310 -7.160 1.00 22.28 C +ATOM 85 OD1 ASN A 12 -10.199 -9.327 -7.327 1.00 24.84 O +ATOM 86 ND2 ASN A 12 -9.384 -7.743 -5.979 1.00 24.20 N +ATOM 87 N GLY A 13 -11.567 -7.851 -9.886 1.00 21.73 N +ATOM 88 CA GLY A 13 -12.856 -7.297 -10.230 1.00 23.78 C +ATOM 89 C GLY A 13 -13.134 -5.880 -9.750 1.00 24.20 C +ATOM 90 O GLY A 13 -13.963 -5.176 -10.375 1.00 25.75 O +ATOM 91 N ASP A 14 -12.451 -5.415 -8.763 1.00 24.92 N +ATOM 92 CA ASP A 14 -12.545 -4.099 -8.130 1.00 26.74 C +ATOM 93 C ASP A 14 -11.661 -3.034 -8.787 1.00 27.18 C +ATOM 94 O ASP A 14 -11.463 -1.919 -8.246 1.00 27.74 O +ATOM 95 CB ASP A 14 -12.286 -4.245 -6.629 1.00 28.05 C +ATOM 96 CG ASP A 14 -10.860 -4.449 -6.200 1.00 30.88 C +ATOM 97 OD1 ASP A 14 -10.001 -4.798 -7.042 1.00 32.40 O +ATOM 98 OD2 ASP A 14 -10.499 -4.277 -5.014 1.00 32.97 O +ATOM 99 N LYS A 15 -11.094 -3.372 -9.923 1.00 26.37 N +ATOM 100 CA LYS A 15 -10.196 -2.549 -10.722 1.00 25.09 C +ATOM 101 C LYS A 15 -10.839 -2.231 -12.069 1.00 23.32 C +ATOM 102 O LYS A 15 -11.814 -2.845 -12.459 1.00 22.97 O +ATOM 103 CB LYS A 15 -8.875 -3.276 -11.043 1.00 26.22 C +ATOM 104 CG LYS A 15 -8.224 -3.957 -9.852 1.00 25.46 C +ATOM 105 CD LYS A 15 -7.298 -3.055 -9.111 1.00 25.02 C +ATOM 106 CE LYS A 15 -7.765 -2.819 -7.695 1.00 27.99 C +ATOM 107 NZ LYS A 15 -6.864 -1.802 -7.093 1.00 31.92 N +ATOM 108 N GLY A 16 -10.209 -1.310 -12.759 1.00 22.74 N +ATOM 109 CA GLY A 16 -10.707 -0.858 -14.045 1.00 22.42 C +ATOM 110 C GLY A 16 -10.353 -1.816 -15.162 1.00 22.81 C +ATOM 111 O GLY A 16 -9.600 -1.425 -16.066 1.00 22.76 O +ATOM 112 N TYR A 17 -10.925 -2.999 -15.090 1.00 22.81 N +ATOM 113 CA TYR A 17 -10.680 -4.007 -16.139 1.00 23.16 C +ATOM 114 C TYR A 17 -11.375 -3.714 -17.448 1.00 23.48 C +ATOM 115 O TYR A 17 -11.110 -4.363 -18.483 1.00 23.84 O +ATOM 116 CB TYR A 17 -11.028 -5.368 -15.557 1.00 23.34 C +ATOM 117 CG TYR A 17 -12.455 -5.496 -15.100 1.00 23.32 C +ATOM 118 CD1 TYR A 17 -13.415 -5.801 -16.042 1.00 23.63 C +ATOM 119 CD2 TYR A 17 -12.846 -5.345 -13.776 1.00 23.65 C +ATOM 120 CE1 TYR A 17 -14.746 -5.938 -15.686 1.00 25.13 C +ATOM 121 CE2 TYR A 17 -14.167 -5.512 -13.386 1.00 24.05 C +ATOM 122 CZ TYR A 17 -15.113 -5.791 -14.356 1.00 25.35 C +ATOM 123 OH TYR A 17 -16.447 -5.976 -14.093 1.00 27.46 O +ATOM 124 N ASN A 18 -12.301 -2.766 -17.469 1.00 23.47 N +ATOM 125 CA ASN A 18 -13.025 -2.368 -18.689 1.00 22.16 C +ATOM 126 C ASN A 18 -12.107 -1.378 -19.412 1.00 21.54 C +ATOM 127 O ASN A 18 -12.070 -1.344 -20.644 1.00 22.57 O +ATOM 128 CB ASN A 18 -14.410 -1.822 -18.428 1.00 23.69 C +ATOM 129 CG ASN A 18 -15.405 -2.880 -18.037 1.00 25.61 C +ATOM 130 OD1 ASN A 18 -16.080 -2.814 -17.000 1.00 27.94 O +ATOM 131 ND2 ASN A 18 -15.459 -3.911 -18.881 1.00 28.44 N +ATOM 132 N GLY A 19 -11.426 -0.599 -18.625 1.00 20.85 N +ATOM 133 CA GLY A 19 -10.468 0.398 -19.173 1.00 20.66 C +ATOM 134 C GLY A 19 -9.256 -0.369 -19.699 1.00 21.38 C +ATOM 135 O GLY A 19 -8.671 -0.001 -20.725 1.00 22.22 O +ATOM 136 N LEU A 20 -8.862 -1.395 -18.946 1.00 21.27 N +ATOM 137 CA LEU A 20 -7.726 -2.226 -19.379 1.00 21.30 C +ATOM 138 C LEU A 20 -8.111 -2.963 -20.670 1.00 21.47 C +ATOM 139 O LEU A 20 -7.230 -3.063 -21.551 1.00 22.74 O +ATOM 140 CB LEU A 20 -7.221 -3.090 -18.233 1.00 19.91 C +ATOM 141 CG LEU A 20 -5.943 -3.884 -18.565 1.00 18.70 C +ATOM 142 CD1 LEU A 20 -4.790 -2.946 -18.827 1.00 17.68 C +ATOM 143 CD2 LEU A 20 -5.697 -4.854 -17.432 1.00 18.90 C +ATOM 144 N ALA A 21 -9.329 -3.446 -20.802 1.00 21.25 N +ATOM 145 CA ALA A 21 -9.838 -4.099 -21.993 1.00 22.73 C +ATOM 146 C ALA A 21 -9.832 -3.126 -23.181 1.00 24.89 C +ATOM 147 O ALA A 21 -9.782 -3.625 -24.313 1.00 26.80 O +ATOM 148 CB ALA A 21 -11.228 -4.677 -21.830 1.00 21.24 C +ATOM 149 N GLU A 22 -9.898 -1.834 -22.973 1.00 25.46 N +ATOM 150 CA GLU A 22 -9.866 -0.780 -23.960 1.00 26.32 C +ATOM 151 C GLU A 22 -8.463 -0.476 -24.474 1.00 25.87 C +ATOM 152 O GLU A 22 -8.266 -0.002 -25.618 1.00 25.29 O +ATOM 153 CB GLU A 22 -10.409 0.558 -23.413 1.00 29.83 C +ATOM 154 CG GLU A 22 -11.942 0.646 -23.323 1.00 34.89 C +ATOM 155 CD GLU A 22 -12.633 0.561 -24.660 1.00 37.82 C +ATOM 156 OE1 GLU A 22 -12.528 1.668 -25.240 1.00 40.28 O +ATOM 157 OE2 GLU A 22 -13.176 -0.432 -25.116 1.00 39.64 O +ATOM 158 N VAL A 23 -7.469 -0.701 -23.619 1.00 23.94 N +ATOM 159 CA VAL A 23 -6.063 -0.509 -24.011 1.00 22.02 C +ATOM 160 C VAL A 23 -5.730 -1.691 -24.946 1.00 22.46 C +ATOM 161 O VAL A 23 -4.958 -1.568 -25.891 1.00 22.30 O +ATOM 162 CB VAL A 23 -5.129 -0.426 -22.821 1.00 20.89 C +ATOM 163 CG1 VAL A 23 -3.676 -0.347 -23.232 1.00 19.19 C +ATOM 164 CG2 VAL A 23 -5.482 0.809 -21.972 1.00 21.79 C +ATOM 165 N GLY A 24 -6.368 -2.783 -24.629 1.00 22.72 N +ATOM 166 CA GLY A 24 -6.259 -4.043 -25.331 1.00 24.83 C +ATOM 167 C GLY A 24 -6.814 -4.022 -26.744 1.00 26.20 C +ATOM 168 O GLY A 24 -6.292 -4.720 -27.615 1.00 25.15 O +ATOM 169 N LYS A 25 -7.882 -3.264 -26.954 1.00 27.54 N +ATOM 170 CA LYS A 25 -8.528 -3.130 -28.260 1.00 29.31 C +ATOM 171 C LYS A 25 -7.611 -2.318 -29.157 1.00 28.97 C +ATOM 172 O LYS A 25 -7.408 -2.610 -30.350 1.00 29.82 O +ATOM 173 CB LYS A 25 -9.956 -2.628 -28.165 1.00 32.02 C +ATOM 174 CG LYS A 25 -10.631 -2.492 -29.559 1.00 36.78 C +ATOM 175 CD LYS A 25 -10.796 -3.851 -30.244 1.00 38.24 C +ATOM 176 CE LYS A 25 -10.577 -3.856 -31.736 1.00 37.20 C +ATOM 177 NZ LYS A 25 -9.295 -3.205 -32.095 1.00 36.59 N +ATOM 178 N LYS A 26 -6.996 -1.321 -28.590 1.00 28.68 N +ATOM 179 CA LYS A 26 -6.007 -0.463 -29.240 1.00 29.88 C +ATOM 180 C LYS A 26 -4.792 -1.306 -29.633 1.00 31.25 C +ATOM 181 O LYS A 26 -4.200 -1.125 -30.726 1.00 32.91 O +ATOM 182 CB LYS A 26 -5.621 0.666 -28.338 1.00 30.20 C +ATOM 183 CG LYS A 26 -4.333 1.412 -28.521 1.00 33.13 C +ATOM 184 CD LYS A 26 -4.111 2.039 -29.871 1.00 36.34 C +ATOM 185 CE LYS A 26 -3.357 3.349 -29.850 1.00 37.97 C +ATOM 186 NZ LYS A 26 -1.917 3.213 -30.207 1.00 39.59 N +ATOM 187 N PHE A 27 -4.382 -2.232 -28.759 1.00 30.47 N +ATOM 188 CA PHE A 27 -3.226 -3.098 -29.043 1.00 28.50 C +ATOM 189 C PHE A 27 -3.597 -4.018 -30.211 1.00 28.75 C +ATOM 190 O PHE A 27 -2.776 -4.179 -31.128 1.00 28.79 O +ATOM 191 CB PHE A 27 -2.722 -3.861 -27.842 1.00 25.98 C +ATOM 192 CG PHE A 27 -1.517 -4.750 -27.976 1.00 22.90 C +ATOM 193 CD1 PHE A 27 -0.237 -4.211 -27.975 1.00 20.15 C +ATOM 194 CD2 PHE A 27 -1.684 -6.143 -28.052 1.00 21.50 C +ATOM 195 CE1 PHE A 27 0.898 -5.008 -28.073 1.00 18.40 C +ATOM 196 CE2 PHE A 27 -0.567 -6.963 -28.137 1.00 20.03 C +ATOM 197 CZ PHE A 27 0.704 -6.392 -28.157 1.00 18.01 C +ATOM 198 N GLU A 28 -4.758 -4.589 -30.165 1.00 29.58 N +ATOM 199 CA GLU A 28 -5.265 -5.509 -31.176 1.00 32.41 C +ATOM 200 C GLU A 28 -5.403 -4.839 -32.538 1.00 34.42 C +ATOM 201 O GLU A 28 -5.465 -5.518 -33.565 1.00 34.56 O +ATOM 202 CB GLU A 28 -6.568 -6.144 -30.794 1.00 31.57 C +ATOM 203 CG GLU A 28 -7.511 -6.762 -31.772 1.00 33.54 C +ATOM 204 CD GLU A 28 -8.612 -7.597 -31.200 1.00 36.49 C +ATOM 205 OE1 GLU A 28 -8.984 -7.243 -30.062 1.00 37.19 O +ATOM 206 OE2 GLU A 28 -9.132 -8.570 -31.734 1.00 39.08 O +ATOM 207 N LYS A 29 -5.439 -3.524 -32.525 1.00 36.98 N +ATOM 208 CA LYS A 29 -5.576 -2.685 -33.719 1.00 38.62 C +ATOM 209 C LYS A 29 -4.275 -2.584 -34.493 1.00 38.12 C +ATOM 210 O LYS A 29 -4.285 -2.769 -35.733 1.00 38.99 O +ATOM 211 CB LYS A 29 -6.036 -1.263 -33.363 1.00 41.39 C +ATOM 212 CG LYS A 29 -7.345 -0.850 -34.038 1.00 44.19 C +ATOM 213 CD LYS A 29 -8.210 -0.038 -33.074 1.00 47.51 C +ATOM 214 CE LYS A 29 -9.697 -0.256 -33.287 1.00 49.62 C +ATOM 215 NZ LYS A 29 -10.273 0.691 -34.293 1.00 50.86 N +ATOM 216 N ASP A 30 -3.189 -2.292 -33.799 1.00 36.99 N +ATOM 217 CA ASP A 30 -1.899 -2.162 -34.485 1.00 37.15 C +ATOM 218 C ASP A 30 -1.109 -3.475 -34.475 1.00 37.07 C +ATOM 219 O ASP A 30 0.082 -3.419 -34.853 1.00 38.75 O +ATOM 220 CB ASP A 30 -1.040 -1.047 -33.900 1.00 37.18 C +ATOM 221 CG ASP A 30 -1.734 -0.080 -32.989 1.00 36.17 C +ATOM 222 OD1 ASP A 30 -2.935 0.138 -33.133 1.00 37.27 O +ATOM 223 OD2 ASP A 30 -1.007 0.463 -32.128 1.00 35.82 O +ATOM 224 N THR A 31 -1.727 -4.565 -34.074 1.00 36.02 N +ATOM 225 CA THR A 31 -0.991 -5.839 -33.973 1.00 34.45 C +ATOM 226 C THR A 31 -1.757 -7.020 -34.491 1.00 33.84 C +ATOM 227 O THR A 31 -1.164 -7.946 -35.106 1.00 35.75 O +ATOM 228 CB THR A 31 -0.545 -6.013 -32.438 1.00 33.09 C +ATOM 229 OG1 THR A 31 0.537 -5.044 -32.247 1.00 31.71 O +ATOM 230 CG2 THR A 31 -0.140 -7.395 -32.037 1.00 31.90 C +ATOM 231 N GLY A 32 -3.038 -7.049 -34.257 1.00 32.51 N +ATOM 232 CA GLY A 32 -3.920 -8.141 -34.658 1.00 32.46 C +ATOM 233 C GLY A 32 -4.039 -9.179 -33.556 1.00 32.55 C +ATOM 234 O GLY A 32 -4.804 -10.145 -33.642 1.00 32.42 O +ATOM 235 N ILE A 33 -3.225 -8.943 -32.519 1.00 33.39 N +ATOM 236 CA ILE A 33 -3.205 -9.831 -31.351 1.00 32.26 C +ATOM 237 C ILE A 33 -4.358 -9.402 -30.421 1.00 31.42 C +ATOM 238 O ILE A 33 -4.393 -8.235 -30.023 1.00 30.22 O +ATOM 239 CB ILE A 33 -1.820 -9.801 -30.630 1.00 32.63 C +ATOM 240 CG1 ILE A 33 -0.721 -10.379 -31.560 1.00 32.86 C +ATOM 241 CG2 ILE A 33 -1.854 -10.538 -29.266 1.00 32.23 C +ATOM 242 CD1 ILE A 33 -0.965 -11.809 -32.083 1.00 33.46 C +ATOM 243 N LYS A 34 -5.199 -10.368 -30.161 1.00 30.65 N +ATOM 244 CA LYS A 34 -6.338 -10.198 -29.274 1.00 32.14 C +ATOM 245 C LYS A 34 -5.872 -10.305 -27.821 1.00 31.72 C +ATOM 246 O LYS A 34 -5.097 -11.230 -27.490 1.00 32.45 O +ATOM 247 CB LYS A 34 -7.383 -11.291 -29.493 1.00 34.72 C +ATOM 248 CG LYS A 34 -6.754 -12.625 -29.908 1.00 39.86 C +ATOM 249 CD LYS A 34 -7.844 -13.630 -30.271 1.00 44.39 C +ATOM 250 CE LYS A 34 -7.445 -14.536 -31.434 1.00 47.08 C +ATOM 251 NZ LYS A 34 -8.649 -14.813 -32.302 1.00 49.25 N +ATOM 252 N VAL A 35 -6.341 -9.394 -27.001 1.00 30.33 N +ATOM 253 CA VAL A 35 -6.041 -9.359 -25.549 1.00 28.49 C +ATOM 254 C VAL A 35 -7.333 -9.801 -24.865 1.00 28.33 C +ATOM 255 O VAL A 35 -8.396 -9.489 -25.406 1.00 30.32 O +ATOM 256 CB VAL A 35 -5.495 -8.002 -25.112 1.00 27.11 C +ATOM 257 CG1 VAL A 35 -5.230 -7.893 -23.620 1.00 25.37 C +ATOM 258 CG2 VAL A 35 -4.243 -7.612 -25.884 1.00 25.98 C +ATOM 259 N THR A 36 -7.282 -10.562 -23.819 1.00 28.12 N +ATOM 260 CA THR A 36 -8.417 -11.054 -23.065 1.00 27.76 C +ATOM 261 C THR A 36 -8.253 -10.695 -21.597 1.00 26.79 C +ATOM 262 O THR A 36 -7.278 -11.146 -20.961 1.00 27.30 O +ATOM 263 CB THR A 36 -8.586 -12.625 -23.175 1.00 28.80 C +ATOM 264 OG1 THR A 36 -8.456 -12.915 -24.605 1.00 31.82 O +ATOM 265 CG2 THR A 36 -9.891 -13.145 -22.590 1.00 29.32 C +ATOM 266 N VAL A 37 -9.188 -9.911 -21.106 1.00 25.57 N +ATOM 267 CA VAL A 37 -9.125 -9.508 -19.687 1.00 24.48 C +ATOM 268 C VAL A 37 -10.201 -10.296 -18.948 1.00 24.44 C +ATOM 269 O VAL A 37 -11.332 -10.429 -19.395 1.00 24.50 O +ATOM 270 CB VAL A 37 -9.216 -7.998 -19.458 1.00 23.84 C +ATOM 271 CG1 VAL A 37 -9.120 -7.693 -17.958 1.00 23.67 C +ATOM 272 CG2 VAL A 37 -8.200 -7.155 -20.203 1.00 22.67 C +ATOM 273 N GLU A 38 -9.792 -10.824 -17.824 1.00 25.96 N +ATOM 274 CA GLU A 38 -10.676 -11.592 -16.936 1.00 26.85 C +ATOM 275 C GLU A 38 -10.350 -11.195 -15.498 1.00 26.29 C +ATOM 276 O GLU A 38 -9.266 -10.672 -15.247 1.00 25.12 O +ATOM 277 CB GLU A 38 -10.559 -13.076 -17.119 1.00 29.22 C +ATOM 278 CG GLU A 38 -9.553 -13.575 -18.140 1.00 34.00 C +ATOM 279 CD GLU A 38 -9.781 -14.911 -18.761 1.00 37.52 C +ATOM 280 OE1 GLU A 38 -10.975 -15.143 -19.067 1.00 39.95 O +ATOM 281 OE2 GLU A 38 -8.864 -15.694 -18.967 1.00 39.62 O +ATOM 282 N HIS A 39 -11.322 -11.435 -14.652 1.00 26.46 N +ATOM 283 CA HIS A 39 -11.187 -11.102 -13.219 1.00 28.40 C +ATOM 284 C HIS A 39 -11.789 -12.221 -12.378 1.00 29.85 C +ATOM 285 O HIS A 39 -12.848 -12.028 -11.746 1.00 30.75 O +ATOM 286 CB HIS A 39 -11.836 -9.733 -12.911 1.00 27.69 C +ATOM 287 CG HIS A 39 -13.191 -9.584 -13.542 1.00 27.20 C +ATOM 288 ND1 HIS A 39 -14.368 -9.695 -12.865 1.00 27.08 N +ATOM 289 CD2 HIS A 39 -13.522 -9.364 -14.833 1.00 26.65 C +ATOM 290 CE1 HIS A 39 -15.378 -9.539 -13.699 1.00 26.84 C +ATOM 291 NE2 HIS A 39 -14.871 -9.358 -14.896 1.00 27.56 N +ATOM 292 N PRO A 40 -11.127 -13.373 -12.376 1.00 30.72 N +ATOM 293 CA PRO A 40 -11.596 -14.548 -11.636 1.00 31.77 C +ATOM 294 C PRO A 40 -11.529 -14.322 -10.142 1.00 33.01 C +ATOM 295 O PRO A 40 -10.760 -13.515 -9.631 1.00 32.47 O +ATOM 296 CB PRO A 40 -10.722 -15.688 -12.153 1.00 31.40 C +ATOM 297 CG PRO A 40 -9.438 -15.018 -12.544 1.00 30.44 C +ATOM 298 CD PRO A 40 -9.867 -13.666 -13.071 1.00 30.66 C +ATOM 299 N ASP A 41 -12.356 -15.089 -9.459 1.00 35.82 N +ATOM 300 CA ASP A 41 -12.505 -15.082 -8.001 1.00 38.09 C +ATOM 301 C ASP A 41 -11.225 -15.615 -7.363 1.00 37.66 C +ATOM 302 O ASP A 41 -10.748 -16.665 -7.837 1.00 37.78 O +ATOM 303 CB ASP A 41 -13.724 -15.964 -7.609 1.00 41.23 C +ATOM 304 CG ASP A 41 -14.694 -15.198 -6.717 1.00 43.71 C +ATOM 305 OD1 ASP A 41 -14.420 -15.021 -5.505 1.00 44.20 O +ATOM 306 OD2 ASP A 41 -15.723 -14.768 -7.279 1.00 46.24 O +ATOM 307 N LYS A 42 -10.771 -14.941 -6.333 1.00 36.80 N +ATOM 308 CA LYS A 42 -9.552 -15.325 -5.594 1.00 35.88 C +ATOM 309 C LYS A 42 -8.448 -15.688 -6.595 1.00 34.26 C +ATOM 310 O LYS A 42 -7.831 -16.743 -6.426 1.00 34.24 O +ATOM 311 CB LYS A 42 -9.763 -16.518 -4.675 1.00 36.01 C +ATOM 312 CG LYS A 42 -10.887 -16.499 -3.669 1.00 37.86 C +ATOM 313 CD LYS A 42 -11.109 -15.175 -2.977 1.00 39.47 C +ATOM 314 CE LYS A 42 -10.351 -14.997 -1.682 1.00 41.22 C +ATOM 315 NZ LYS A 42 -11.216 -15.377 -0.522 1.00 41.72 N +ATOM 316 N LEU A 43 -8.253 -14.835 -7.585 1.00 31.86 N +ATOM 317 CA LEU A 43 -7.269 -15.117 -8.646 1.00 29.59 C +ATOM 318 C LEU A 43 -5.858 -15.222 -8.089 1.00 28.14 C +ATOM 319 O LEU A 43 -4.999 -15.886 -8.723 1.00 28.24 O +ATOM 320 CB LEU A 43 -7.462 -14.106 -9.799 1.00 27.54 C +ATOM 321 CG LEU A 43 -7.022 -12.671 -9.500 1.00 25.53 C +ATOM 322 CD1 LEU A 43 -5.535 -12.453 -9.664 1.00 23.34 C +ATOM 323 CD2 LEU A 43 -7.791 -11.729 -10.405 1.00 24.55 C +ATOM 324 N GLU A 44 -5.608 -14.579 -6.958 1.00 26.46 N +ATOM 325 CA GLU A 44 -4.261 -14.596 -6.355 1.00 25.30 C +ATOM 326 C GLU A 44 -4.000 -15.949 -5.682 1.00 24.95 C +ATOM 327 O GLU A 44 -2.864 -16.298 -5.365 1.00 23.99 O +ATOM 328 CB GLU A 44 -4.041 -13.480 -5.375 1.00 24.76 C +ATOM 329 CG GLU A 44 -4.680 -13.623 -4.004 1.00 25.54 C +ATOM 330 CD GLU A 44 -6.154 -13.472 -3.879 1.00 25.17 C +ATOM 331 OE1 GLU A 44 -6.831 -13.590 -4.917 1.00 26.33 O +ATOM 332 OE2 GLU A 44 -6.670 -13.193 -2.817 1.00 26.29 O +ATOM 333 N GLU A 45 -5.062 -16.699 -5.490 1.00 25.25 N +ATOM 334 CA GLU A 45 -5.006 -18.045 -4.908 1.00 26.44 C +ATOM 335 C GLU A 45 -4.918 -19.051 -6.057 1.00 25.54 C +ATOM 336 O GLU A 45 -4.177 -20.031 -5.988 1.00 25.39 O +ATOM 337 CB GLU A 45 -6.238 -18.396 -4.089 1.00 28.86 C +ATOM 338 CG GLU A 45 -6.105 -18.492 -2.590 1.00 34.28 C +ATOM 339 CD GLU A 45 -5.432 -17.371 -1.875 1.00 38.38 C +ATOM 340 OE1 GLU A 45 -4.184 -17.378 -1.929 1.00 38.83 O +ATOM 341 OE2 GLU A 45 -6.051 -16.510 -1.248 1.00 43.01 O +ATOM 342 N LYS A 46 -5.695 -18.754 -7.079 1.00 24.20 N +ATOM 343 CA LYS A 46 -5.757 -19.561 -8.268 1.00 24.74 C +ATOM 344 C LYS A 46 -4.477 -19.484 -9.082 1.00 24.31 C +ATOM 345 O LYS A 46 -4.148 -20.511 -9.700 1.00 25.04 O +ATOM 346 CB LYS A 46 -6.915 -19.204 -9.185 1.00 27.22 C +ATOM 347 CG LYS A 46 -8.257 -19.756 -8.685 1.00 32.06 C +ATOM 348 CD LYS A 46 -9.427 -19.100 -9.384 1.00 35.02 C +ATOM 349 CE LYS A 46 -10.775 -19.678 -8.972 1.00 37.03 C +ATOM 350 NZ LYS A 46 -10.848 -19.913 -7.510 1.00 38.04 N +ATOM 351 N PHE A 47 -3.826 -18.346 -9.134 1.00 22.73 N +ATOM 352 CA PHE A 47 -2.615 -18.162 -9.904 1.00 21.62 C +ATOM 353 C PHE A 47 -1.575 -19.257 -9.595 1.00 22.32 C +ATOM 354 O PHE A 47 -1.113 -19.963 -10.493 1.00 22.53 O +ATOM 355 CB PHE A 47 -1.968 -16.774 -9.838 1.00 19.25 C +ATOM 356 CG PHE A 47 -0.754 -16.585 -10.730 1.00 18.20 C +ATOM 357 CD1 PHE A 47 -0.879 -16.508 -12.123 1.00 16.60 C +ATOM 358 CD2 PHE A 47 0.522 -16.474 -10.186 1.00 16.08 C +ATOM 359 CE1 PHE A 47 0.246 -16.324 -12.926 1.00 16.25 C +ATOM 360 CE2 PHE A 47 1.652 -16.318 -10.971 1.00 16.95 C +ATOM 361 CZ PHE A 47 1.517 -16.244 -12.357 1.00 15.37 C +ATOM 362 N PRO A 48 -1.148 -19.326 -8.351 1.00 23.24 N +ATOM 363 CA PRO A 48 -0.111 -20.288 -7.957 1.00 23.85 C +ATOM 364 C PRO A 48 -0.418 -21.700 -8.376 1.00 24.74 C +ATOM 365 O PRO A 48 0.513 -22.445 -8.786 1.00 25.29 O +ATOM 366 CB PRO A 48 0.150 -20.015 -6.495 1.00 24.41 C +ATOM 367 CG PRO A 48 -0.711 -18.857 -6.091 1.00 24.54 C +ATOM 368 CD PRO A 48 -1.636 -18.528 -7.221 1.00 22.26 C +ATOM 369 N GLN A 49 -1.652 -22.114 -8.383 1.00 25.21 N +ATOM 370 CA GLN A 49 -2.123 -23.423 -8.758 1.00 26.43 C +ATOM 371 C GLN A 49 -1.980 -23.692 -10.257 1.00 25.73 C +ATOM 372 O GLN A 49 -1.416 -24.744 -10.610 1.00 26.93 O +ATOM 373 CB GLN A 49 -3.578 -23.707 -8.392 1.00 30.09 C +ATOM 374 CG GLN A 49 -3.772 -24.274 -7.021 1.00 37.69 C +ATOM 375 CD GLN A 49 -4.168 -23.308 -5.931 1.00 41.73 C +ATOM 376 OE1 GLN A 49 -3.304 -22.788 -5.200 1.00 43.63 O +ATOM 377 NE2 GLN A 49 -5.501 -23.109 -5.839 1.00 42.64 N +ATOM 378 N VAL A 50 -2.556 -22.853 -11.077 1.00 23.70 N +ATOM 379 CA VAL A 50 -2.508 -23.022 -12.522 1.00 21.98 C +ATOM 380 C VAL A 50 -1.136 -22.748 -13.084 1.00 21.22 C +ATOM 381 O VAL A 50 -0.803 -23.420 -14.084 1.00 21.47 O +ATOM 382 CB VAL A 50 -3.654 -22.269 -13.230 1.00 21.44 C +ATOM 383 CG1 VAL A 50 -5.029 -22.699 -12.741 1.00 22.19 C +ATOM 384 CG2 VAL A 50 -3.514 -20.758 -13.115 1.00 22.28 C +ATOM 385 N ALA A 51 -0.377 -21.813 -12.567 1.00 20.96 N +ATOM 386 CA ALA A 51 0.941 -21.470 -13.070 1.00 21.83 C +ATOM 387 C ALA A 51 1.929 -22.626 -12.789 1.00 23.44 C +ATOM 388 O ALA A 51 2.805 -22.848 -13.639 1.00 24.21 O +ATOM 389 CB ALA A 51 1.510 -20.156 -12.576 1.00 18.68 C +ATOM 390 N ALA A 52 1.765 -23.274 -11.632 1.00 24.37 N +ATOM 391 CA ALA A 52 2.612 -24.404 -11.247 1.00 25.44 C +ATOM 392 C ALA A 52 2.513 -25.538 -12.278 1.00 26.20 C +ATOM 393 O ALA A 52 3.415 -26.382 -12.404 1.00 26.69 O +ATOM 394 CB ALA A 52 2.281 -24.892 -9.838 1.00 25.38 C +ATOM 395 N THR A 53 1.441 -25.573 -13.056 1.00 27.22 N +ATOM 396 CA THR A 53 1.226 -26.570 -14.083 1.00 27.91 C +ATOM 397 C THR A 53 1.388 -26.020 -15.507 1.00 27.95 C +ATOM 398 O THR A 53 0.934 -26.673 -16.457 1.00 28.42 O +ATOM 399 CB THR A 53 -0.102 -27.390 -13.919 1.00 28.01 C +ATOM 400 OG1 THR A 53 -1.180 -26.676 -14.587 1.00 29.68 O +ATOM 401 CG2 THR A 53 -0.448 -27.748 -12.469 1.00 27.99 C +ATOM 402 N GLY A 54 2.011 -24.872 -15.634 1.00 27.95 N +ATOM 403 CA GLY A 54 2.263 -24.156 -16.865 1.00 27.32 C +ATOM 404 C GLY A 54 0.995 -23.656 -17.536 1.00 27.87 C +ATOM 405 O GLY A 54 0.859 -23.594 -18.774 1.00 28.48 O +ATOM 406 N ASP A 55 0.017 -23.290 -16.735 1.00 27.91 N +ATOM 407 CA ASP A 55 -1.258 -22.744 -17.193 1.00 28.08 C +ATOM 408 C ASP A 55 -1.379 -21.317 -16.605 1.00 26.74 C +ATOM 409 O ASP A 55 -0.412 -20.777 -16.054 1.00 25.62 O +ATOM 410 CB ASP A 55 -2.404 -23.693 -16.867 1.00 31.13 C +ATOM 411 CG ASP A 55 -2.651 -24.706 -17.971 1.00 35.48 C +ATOM 412 OD1 ASP A 55 -2.094 -24.464 -19.069 1.00 37.40 O +ATOM 413 OD2 ASP A 55 -3.346 -25.736 -17.832 1.00 37.79 O +ATOM 414 N GLY A 56 -2.567 -20.772 -16.760 1.00 25.46 N +ATOM 415 CA GLY A 56 -2.907 -19.430 -16.263 1.00 24.66 C +ATOM 416 C GLY A 56 -2.793 -18.359 -17.356 1.00 22.69 C +ATOM 417 O GLY A 56 -2.707 -18.690 -18.557 1.00 23.58 O +ATOM 418 N PRO A 57 -2.828 -17.106 -16.907 1.00 20.29 N +ATOM 419 CA PRO A 57 -2.757 -15.949 -17.800 1.00 16.41 C +ATOM 420 C PRO A 57 -1.319 -15.622 -18.096 1.00 14.29 C +ATOM 421 O PRO A 57 -0.432 -16.031 -17.331 1.00 13.73 O +ATOM 422 CB PRO A 57 -3.430 -14.865 -16.908 1.00 15.86 C +ATOM 423 CG PRO A 57 -2.858 -15.152 -15.551 1.00 15.73 C +ATOM 424 CD PRO A 57 -2.931 -16.677 -15.481 1.00 19.16 C +ATOM 425 N ASP A 58 -1.085 -14.869 -19.136 1.00 12.04 N +ATOM 426 CA ASP A 58 0.207 -14.379 -19.555 1.00 13.38 C +ATOM 427 C ASP A 58 0.714 -13.341 -18.564 1.00 13.03 C +ATOM 428 O ASP A 58 1.897 -13.211 -18.222 1.00 13.17 O +ATOM 429 CB ASP A 58 0.106 -13.742 -20.969 1.00 15.11 C +ATOM 430 CG ASP A 58 -0.198 -14.784 -22.021 1.00 16.59 C +ATOM 431 OD1 ASP A 58 0.810 -15.471 -22.344 1.00 19.08 O +ATOM 432 OD2 ASP A 58 -1.357 -14.902 -22.421 1.00 17.09 O +ATOM 433 N ILE A 59 -0.316 -12.579 -18.124 1.00 14.82 N +ATOM 434 CA ILE A 59 -0.028 -11.489 -17.169 1.00 15.10 C +ATOM 435 C ILE A 59 -1.044 -11.410 -16.061 1.00 14.13 C +ATOM 436 O ILE A 59 -2.227 -11.635 -16.230 1.00 15.25 O +ATOM 437 CB ILE A 59 0.361 -10.175 -17.905 1.00 17.81 C +ATOM 438 CG1 ILE A 59 -0.478 -8.976 -17.369 1.00 18.86 C +ATOM 439 CG2 ILE A 59 0.473 -10.192 -19.430 1.00 16.16 C +ATOM 440 CD1 ILE A 59 0.446 -8.051 -16.541 1.00 20.85 C +ATOM 441 N ILE A 60 -0.525 -11.111 -14.885 1.00 14.27 N +ATOM 442 CA ILE A 60 -1.310 -11.018 -13.649 1.00 13.49 C +ATOM 443 C ILE A 60 -1.070 -9.680 -12.971 1.00 12.23 C +ATOM 444 O ILE A 60 0.065 -9.241 -12.856 1.00 12.11 O +ATOM 445 CB ILE A 60 -0.922 -12.217 -12.695 1.00 15.55 C +ATOM 446 CG1 ILE A 60 -1.693 -12.121 -11.334 1.00 14.36 C +ATOM 447 CG2 ILE A 60 0.590 -12.336 -12.377 1.00 14.79 C +ATOM 448 CD1 ILE A 60 -2.962 -13.009 -11.441 1.00 18.68 C +ATOM 449 N PHE A 61 -2.149 -9.098 -12.450 1.00 12.01 N +ATOM 450 CA PHE A 61 -2.033 -7.805 -11.733 1.00 11.22 C +ATOM 451 C PHE A 61 -2.353 -8.083 -10.248 1.00 8.85 C +ATOM 452 O PHE A 61 -3.384 -8.704 -10.043 1.00 10.85 O +ATOM 453 CB PHE A 61 -3.097 -6.814 -12.265 1.00 10.53 C +ATOM 454 CG PHE A 61 -2.713 -6.140 -13.545 1.00 12.71 C +ATOM 455 CD1 PHE A 61 -2.942 -6.769 -14.767 1.00 13.92 C +ATOM 456 CD2 PHE A 61 -2.142 -4.873 -13.513 1.00 12.40 C +ATOM 457 CE1 PHE A 61 -2.584 -6.121 -15.960 1.00 14.76 C +ATOM 458 CE2 PHE A 61 -1.801 -4.220 -14.685 1.00 13.22 C +ATOM 459 CZ PHE A 61 -2.022 -4.844 -15.905 1.00 12.91 C +ATOM 460 N TRP A 62 -1.531 -7.674 -9.374 1.00 9.99 N +ATOM 461 CA TRP A 62 -1.773 -7.814 -7.903 1.00 10.38 C +ATOM 462 C TRP A 62 -0.813 -6.926 -7.196 1.00 9.86 C +ATOM 463 O TRP A 62 0.208 -6.451 -7.726 1.00 10.43 O +ATOM 464 CB TRP A 62 -1.756 -9.287 -7.454 1.00 10.76 C +ATOM 465 CG TRP A 62 -2.533 -9.486 -6.189 1.00 14.47 C +ATOM 466 CD1 TRP A 62 -2.053 -9.513 -4.897 1.00 15.37 C +ATOM 467 CD2 TRP A 62 -3.956 -9.672 -6.086 1.00 14.45 C +ATOM 468 NE1 TRP A 62 -3.091 -9.693 -3.993 1.00 15.36 N +ATOM 469 CE2 TRP A 62 -4.255 -9.811 -4.699 1.00 15.60 C +ATOM 470 CE3 TRP A 62 -4.983 -9.740 -7.015 1.00 15.53 C +ATOM 471 CZ2 TRP A 62 -5.561 -9.994 -4.254 1.00 14.99 C +ATOM 472 CZ3 TRP A 62 -6.285 -9.958 -6.584 1.00 15.58 C +ATOM 473 CH2 TRP A 62 -6.564 -10.062 -5.217 1.00 15.84 C +ATOM 474 N ALA A 63 -1.105 -6.657 -5.914 1.00 11.31 N +ATOM 475 CA ALA A 63 -0.204 -5.894 -5.061 1.00 11.16 C +ATOM 476 C ALA A 63 1.144 -6.660 -5.077 1.00 11.79 C +ATOM 477 O ALA A 63 1.135 -7.902 -5.031 1.00 11.50 O +ATOM 478 CB ALA A 63 -0.752 -5.874 -3.629 1.00 13.27 C +ATOM 479 N HIS A 64 2.229 -5.951 -5.032 1.00 12.29 N +ATOM 480 CA HIS A 64 3.581 -6.453 -5.086 1.00 12.96 C +ATOM 481 C HIS A 64 3.965 -7.483 -4.023 1.00 15.58 C +ATOM 482 O HIS A 64 4.834 -8.344 -4.281 1.00 15.35 O +ATOM 483 CB HIS A 64 4.656 -5.340 -5.042 1.00 11.65 C +ATOM 484 CG HIS A 64 4.788 -4.721 -3.695 1.00 13.29 C +ATOM 485 ND1 HIS A 64 5.837 -4.909 -2.824 1.00 15.69 N +ATOM 486 CD2 HIS A 64 3.929 -3.895 -3.037 1.00 13.42 C +ATOM 487 CE1 HIS A 64 5.603 -4.239 -1.681 1.00 13.78 C +ATOM 488 NE2 HIS A 64 4.436 -3.615 -1.813 1.00 14.23 N +ATOM 489 N ASP A 65 3.405 -7.338 -2.832 1.00 16.58 N +ATOM 490 CA ASP A 65 3.789 -8.190 -1.699 1.00 18.33 C +ATOM 491 C ASP A 65 3.586 -9.666 -1.985 1.00 18.94 C +ATOM 492 O ASP A 65 4.373 -10.525 -1.555 1.00 20.18 O +ATOM 493 CB ASP A 65 3.272 -7.622 -0.392 1.00 19.31 C +ATOM 494 CG ASP A 65 1.782 -7.793 -0.269 1.00 21.94 C +ATOM 495 OD1 ASP A 65 0.927 -7.358 -1.019 1.00 24.89 O +ATOM 496 OD2 ASP A 65 1.441 -8.502 0.678 1.00 26.14 O +ATOM 497 N ARG A 66 2.590 -10.034 -2.715 1.00 18.97 N +ATOM 498 CA ARG A 66 2.244 -11.372 -3.086 1.00 20.66 C +ATOM 499 C ARG A 66 3.214 -11.960 -4.116 1.00 20.38 C +ATOM 500 O ARG A 66 3.253 -13.189 -4.158 1.00 21.15 O +ATOM 501 CB ARG A 66 0.845 -11.425 -3.698 1.00 23.21 C +ATOM 502 CG ARG A 66 0.051 -12.675 -3.502 1.00 29.13 C +ATOM 503 CD ARG A 66 -0.109 -12.995 -2.052 1.00 33.64 C +ATOM 504 NE ARG A 66 -1.274 -13.761 -1.745 1.00 38.88 N +ATOM 505 CZ ARG A 66 -1.618 -15.007 -2.026 1.00 40.55 C +ATOM 506 NH1 ARG A 66 -0.842 -15.853 -2.718 1.00 40.54 N +ATOM 507 NH2 ARG A 66 -2.818 -15.433 -1.579 1.00 42.28 N +ATOM 508 N PHE A 67 3.893 -11.129 -4.865 1.00 19.97 N +ATOM 509 CA PHE A 67 4.805 -11.471 -5.946 1.00 18.34 C +ATOM 510 C PHE A 67 6.058 -12.172 -5.442 1.00 18.64 C +ATOM 511 O PHE A 67 6.647 -12.950 -6.195 1.00 17.31 O +ATOM 512 CB PHE A 67 5.131 -10.330 -6.912 1.00 16.59 C +ATOM 513 CG PHE A 67 4.089 -10.011 -7.935 1.00 17.36 C +ATOM 514 CD1 PHE A 67 2.779 -10.439 -7.804 1.00 18.42 C +ATOM 515 CD2 PHE A 67 4.413 -9.261 -9.062 1.00 18.42 C +ATOM 516 CE1 PHE A 67 1.777 -10.155 -8.742 1.00 19.10 C +ATOM 517 CE2 PHE A 67 3.448 -8.952 -10.008 1.00 17.63 C +ATOM 518 CZ PHE A 67 2.147 -9.393 -9.859 1.00 17.63 C +ATOM 519 N GLY A 68 6.408 -11.900 -4.211 1.00 19.12 N +ATOM 520 CA GLY A 68 7.584 -12.514 -3.565 1.00 20.86 C +ATOM 521 C GLY A 68 7.452 -14.049 -3.501 1.00 20.99 C +ATOM 522 O GLY A 68 8.421 -14.752 -3.845 1.00 22.15 O +ATOM 523 N GLY A 69 6.333 -14.536 -3.069 1.00 20.48 N +ATOM 524 CA GLY A 69 5.982 -15.936 -2.944 1.00 20.74 C +ATOM 525 C GLY A 69 5.872 -16.596 -4.304 1.00 20.84 C +ATOM 526 O GLY A 69 6.265 -17.735 -4.502 1.00 21.01 O +ATOM 527 N TYR A 70 5.313 -15.879 -5.278 1.00 20.79 N +ATOM 528 CA TYR A 70 5.177 -16.332 -6.664 1.00 19.63 C +ATOM 529 C TYR A 70 6.572 -16.521 -7.319 1.00 19.33 C +ATOM 530 O TYR A 70 6.813 -17.532 -8.003 1.00 19.61 O +ATOM 531 CB TYR A 70 4.375 -15.328 -7.500 1.00 19.13 C +ATOM 532 CG TYR A 70 2.916 -15.159 -7.232 1.00 19.71 C +ATOM 533 CD1 TYR A 70 2.202 -15.987 -6.354 1.00 18.90 C +ATOM 534 CD2 TYR A 70 2.219 -14.117 -7.875 1.00 18.93 C +ATOM 535 CE1 TYR A 70 0.839 -15.810 -6.144 1.00 19.01 C +ATOM 536 CE2 TYR A 70 0.853 -13.934 -7.661 1.00 18.43 C +ATOM 537 CZ TYR A 70 0.164 -14.775 -6.802 1.00 18.95 C +ATOM 538 OH TYR A 70 -1.179 -14.613 -6.588 1.00 19.45 O +ATOM 539 N ALA A 71 7.449 -15.569 -7.179 1.00 17.60 N +ATOM 540 CA ALA A 71 8.794 -15.495 -7.657 1.00 19.31 C +ATOM 541 C ALA A 71 9.655 -16.636 -7.046 1.00 21.08 C +ATOM 542 O ALA A 71 10.523 -17.207 -7.713 1.00 20.66 O +ATOM 543 CB ALA A 71 9.460 -14.157 -7.372 1.00 17.00 C +ATOM 544 N GLN A 72 9.401 -16.875 -5.790 1.00 21.79 N +ATOM 545 CA GLN A 72 10.104 -17.901 -5.010 1.00 23.26 C +ATOM 546 C GLN A 72 9.888 -19.232 -5.740 1.00 22.22 C +ATOM 547 O GLN A 72 10.909 -19.891 -5.899 1.00 24.64 O +ATOM 548 CB GLN A 72 9.583 -18.013 -3.590 1.00 25.94 C +ATOM 549 CG GLN A 72 10.637 -18.418 -2.560 1.00 30.41 C +ATOM 550 CD GLN A 72 9.899 -18.756 -1.271 1.00 33.63 C +ATOM 551 OE1 GLN A 72 10.225 -18.340 -0.172 1.00 35.86 O +ATOM 552 NE2 GLN A 72 8.839 -19.555 -1.474 1.00 36.33 N +ATOM 553 N SER A 73 8.679 -19.551 -6.113 1.00 19.13 N +ATOM 554 CA SER A 73 8.332 -20.756 -6.819 1.00 17.59 C +ATOM 555 C SER A 73 8.578 -20.743 -8.320 1.00 17.54 C +ATOM 556 O SER A 73 8.068 -21.671 -8.981 1.00 17.41 O +ATOM 557 CB SER A 73 6.873 -21.143 -6.619 1.00 17.11 C +ATOM 558 OG SER A 73 6.654 -21.338 -5.244 1.00 20.15 O +ATOM 559 N GLY A 74 9.219 -19.720 -8.811 1.00 16.86 N +ATOM 560 CA GLY A 74 9.610 -19.468 -10.171 1.00 16.76 C +ATOM 561 C GLY A 74 8.458 -19.281 -11.138 1.00 16.50 C +ATOM 562 O GLY A 74 8.566 -19.649 -12.310 1.00 16.03 O +ATOM 563 N LEU A 75 7.391 -18.668 -10.651 1.00 14.95 N +ATOM 564 CA LEU A 75 6.190 -18.457 -11.455 1.00 15.00 C +ATOM 565 C LEU A 75 6.229 -17.206 -12.328 1.00 13.66 C +ATOM 566 O LEU A 75 5.402 -17.104 -13.242 1.00 14.09 O +ATOM 567 CB LEU A 75 5.005 -18.471 -10.487 1.00 15.18 C +ATOM 568 CG LEU A 75 4.847 -19.714 -9.615 1.00 15.38 C +ATOM 569 CD1 LEU A 75 3.607 -19.513 -8.738 1.00 16.20 C +ATOM 570 CD2 LEU A 75 4.626 -20.905 -10.532 1.00 13.76 C +ATOM 571 N LEU A 76 7.130 -16.313 -12.103 1.00 13.94 N +ATOM 572 CA LEU A 76 7.275 -15.074 -12.821 1.00 15.37 C +ATOM 573 C LEU A 76 8.552 -14.951 -13.651 1.00 16.40 C +ATOM 574 O LEU A 76 9.663 -15.237 -13.158 1.00 17.73 O +ATOM 575 CB LEU A 76 7.182 -13.912 -11.795 1.00 14.72 C +ATOM 576 CG LEU A 76 5.905 -13.773 -10.999 1.00 14.46 C +ATOM 577 CD1 LEU A 76 5.960 -12.495 -10.139 1.00 15.08 C +ATOM 578 CD2 LEU A 76 4.691 -13.681 -11.900 1.00 14.61 C +ATOM 579 N ALA A 77 8.359 -14.406 -14.852 1.00 14.92 N +ATOM 580 CA ALA A 77 9.481 -14.128 -15.735 1.00 15.54 C +ATOM 581 C ALA A 77 10.185 -12.878 -15.228 1.00 17.53 C +ATOM 582 O ALA A 77 9.599 -11.925 -14.658 1.00 16.81 O +ATOM 583 CB ALA A 77 9.016 -13.975 -17.162 1.00 15.24 C +ATOM 584 N GLU A 78 11.492 -12.929 -15.425 1.00 18.63 N +ATOM 585 CA GLU A 78 12.374 -11.824 -15.084 1.00 20.54 C +ATOM 586 C GLU A 78 12.102 -10.773 -16.183 1.00 19.76 C +ATOM 587 O GLU A 78 11.868 -11.159 -17.340 1.00 19.46 O +ATOM 588 CB GLU A 78 13.855 -12.117 -15.124 1.00 22.78 C +ATOM 589 CG GLU A 78 14.820 -10.986 -14.779 1.00 25.81 C +ATOM 590 CD GLU A 78 16.281 -11.289 -14.808 1.00 26.33 C +ATOM 591 OE1 GLU A 78 16.722 -12.402 -14.885 1.00 28.96 O +ATOM 592 OE2 GLU A 78 17.036 -10.306 -14.783 1.00 28.58 O +ATOM 593 N ILE A 79 12.061 -9.535 -15.768 1.00 20.01 N +ATOM 594 CA ILE A 79 11.791 -8.433 -16.727 1.00 19.96 C +ATOM 595 C ILE A 79 13.041 -7.622 -16.909 1.00 20.56 C +ATOM 596 O ILE A 79 13.912 -7.472 -16.068 1.00 19.44 O +ATOM 597 CB ILE A 79 10.497 -7.603 -16.387 1.00 19.32 C +ATOM 598 CG1 ILE A 79 10.660 -6.867 -15.037 1.00 18.76 C +ATOM 599 CG2 ILE A 79 9.201 -8.450 -16.413 1.00 17.46 C +ATOM 600 CD1 ILE A 79 10.128 -5.422 -15.006 1.00 18.13 C +ATOM 601 N THR A 80 13.107 -7.036 -18.114 1.00 24.30 N +ATOM 602 CA THR A 80 14.276 -6.205 -18.408 1.00 28.10 C +ATOM 603 C THR A 80 13.985 -4.925 -19.145 1.00 29.43 C +ATOM 604 O THR A 80 14.405 -4.780 -20.310 1.00 30.84 O +ATOM 605 CB THR A 80 15.335 -7.102 -19.200 1.00 29.96 C +ATOM 606 OG1 THR A 80 14.483 -7.828 -20.163 1.00 32.20 O +ATOM 607 CG2 THR A 80 16.170 -7.930 -18.225 1.00 28.97 C +ATOM 608 N PRO A 81 13.317 -4.009 -18.460 1.00 29.73 N +ATOM 609 CA PRO A 81 13.045 -2.699 -19.072 1.00 29.63 C +ATOM 610 C PRO A 81 14.418 -2.061 -19.173 1.00 30.69 C +ATOM 611 O PRO A 81 15.242 -2.303 -18.256 1.00 31.05 O +ATOM 612 CB PRO A 81 12.200 -1.978 -18.023 1.00 29.65 C +ATOM 613 CG PRO A 81 12.373 -2.719 -16.744 1.00 28.01 C +ATOM 614 CD PRO A 81 12.828 -4.112 -17.079 1.00 28.77 C +ATOM 615 N ASP A 82 14.665 -1.252 -20.169 1.00 32.66 N +ATOM 616 CA ASP A 82 16.001 -0.585 -20.242 1.00 34.02 C +ATOM 617 C ASP A 82 15.943 0.671 -19.365 1.00 33.44 C +ATOM 618 O ASP A 82 14.860 1.089 -18.908 1.00 32.42 O +ATOM 619 CB ASP A 82 16.435 -0.419 -21.678 1.00 37.77 C +ATOM 620 CG ASP A 82 15.941 0.877 -22.284 1.00 40.64 C +ATOM 621 OD1 ASP A 82 14.733 1.021 -22.500 1.00 42.96 O +ATOM 622 OD2 ASP A 82 16.839 1.747 -22.482 1.00 44.36 O +ATOM 623 N LYS A 83 17.111 1.212 -19.134 1.00 32.64 N +ATOM 624 CA LYS A 83 17.348 2.386 -18.292 1.00 31.86 C +ATOM 625 C LYS A 83 16.332 3.492 -18.505 1.00 30.36 C +ATOM 626 O LYS A 83 15.801 4.082 -17.564 1.00 30.14 O +ATOM 627 CB LYS A 83 18.737 2.965 -18.498 1.00 33.78 C +ATOM 628 CG LYS A 83 19.663 2.946 -17.300 1.00 36.39 C +ATOM 629 CD LYS A 83 19.744 4.298 -16.605 1.00 39.44 C +ATOM 630 CE LYS A 83 20.475 4.206 -15.274 1.00 42.64 C +ATOM 631 NZ LYS A 83 21.201 5.467 -14.935 1.00 43.96 N +ATOM 632 N ALA A 84 16.107 3.752 -19.753 1.00 29.04 N +ATOM 633 CA ALA A 84 15.228 4.773 -20.290 1.00 27.89 C +ATOM 634 C ALA A 84 13.776 4.573 -19.885 1.00 26.41 C +ATOM 635 O ALA A 84 13.093 5.563 -19.605 1.00 26.74 O +ATOM 636 CB ALA A 84 15.363 4.803 -21.814 1.00 28.50 C +ATOM 637 N PHE A 85 13.346 3.316 -19.927 1.00 24.31 N +ATOM 638 CA PHE A 85 11.975 3.015 -19.543 1.00 21.71 C +ATOM 639 C PHE A 85 11.903 3.182 -18.005 1.00 21.75 C +ATOM 640 O PHE A 85 10.928 3.681 -17.483 1.00 21.20 O +ATOM 641 CB PHE A 85 11.433 1.691 -19.999 1.00 20.41 C +ATOM 642 CG PHE A 85 10.051 1.393 -19.471 1.00 19.75 C +ATOM 643 CD1 PHE A 85 8.933 1.860 -20.149 1.00 18.99 C +ATOM 644 CD2 PHE A 85 9.889 0.682 -18.287 1.00 18.44 C +ATOM 645 CE1 PHE A 85 7.636 1.603 -19.672 1.00 19.39 C +ATOM 646 CE2 PHE A 85 8.607 0.404 -17.811 1.00 18.24 C +ATOM 647 CZ PHE A 85 7.505 0.874 -18.482 1.00 18.02 C +ATOM 648 N GLN A 86 12.944 2.766 -17.352 1.00 21.73 N +ATOM 649 CA GLN A 86 13.033 2.781 -15.905 1.00 23.26 C +ATOM 650 C GLN A 86 12.918 4.170 -15.315 1.00 24.08 C +ATOM 651 O GLN A 86 12.398 4.332 -14.192 1.00 23.52 O +ATOM 652 CB GLN A 86 14.301 2.062 -15.419 1.00 24.05 C +ATOM 653 CG GLN A 86 14.067 0.548 -15.343 1.00 26.55 C +ATOM 654 CD GLN A 86 15.352 -0.162 -15.027 1.00 28.41 C +ATOM 655 OE1 GLN A 86 15.965 -0.788 -15.891 1.00 31.73 O +ATOM 656 NE2 GLN A 86 15.772 -0.066 -13.782 1.00 28.84 N +ATOM 657 N ASP A 87 13.445 5.127 -16.035 1.00 25.01 N +ATOM 658 CA ASP A 87 13.455 6.539 -15.606 1.00 26.41 C +ATOM 659 C ASP A 87 12.096 7.194 -15.752 1.00 24.18 C +ATOM 660 O ASP A 87 11.896 8.303 -15.221 1.00 25.02 O +ATOM 661 CB ASP A 87 14.666 7.249 -16.214 1.00 30.14 C +ATOM 662 CG ASP A 87 15.971 6.945 -15.516 1.00 34.56 C +ATOM 663 OD1 ASP A 87 16.138 6.030 -14.672 1.00 37.91 O +ATOM 664 OD2 ASP A 87 16.959 7.661 -15.811 1.00 37.48 O +ATOM 665 N LYS A 88 11.152 6.564 -16.385 1.00 22.96 N +ATOM 666 CA LYS A 88 9.793 7.057 -16.563 1.00 23.05 C +ATOM 667 C LYS A 88 8.929 6.883 -15.298 1.00 21.82 C +ATOM 668 O LYS A 88 7.868 7.491 -15.221 1.00 21.29 O +ATOM 669 CB LYS A 88 9.016 6.443 -17.707 1.00 22.96 C +ATOM 670 CG LYS A 88 9.744 6.405 -19.040 1.00 26.15 C +ATOM 671 CD LYS A 88 9.296 7.429 -20.036 1.00 29.40 C +ATOM 672 CE LYS A 88 9.680 7.038 -21.460 1.00 30.84 C +ATOM 673 NZ LYS A 88 8.780 5.898 -21.830 1.00 33.19 N +ATOM 674 N LEU A 89 9.343 6.059 -14.376 1.00 21.18 N +ATOM 675 CA LEU A 89 8.668 5.753 -13.131 1.00 19.72 C +ATOM 676 C LEU A 89 9.496 6.208 -11.927 1.00 20.17 C +ATOM 677 O LEU A 89 10.713 6.375 -11.982 1.00 20.60 O +ATOM 678 CB LEU A 89 8.288 4.293 -13.056 1.00 18.10 C +ATOM 679 CG LEU A 89 7.900 3.431 -14.196 1.00 17.19 C +ATOM 680 CD1 LEU A 89 7.363 2.097 -13.641 1.00 17.94 C +ATOM 681 CD2 LEU A 89 6.847 4.097 -15.053 1.00 18.18 C +ATOM 682 N TYR A 90 8.770 6.436 -10.821 1.00 20.59 N +ATOM 683 CA TYR A 90 9.414 6.843 -9.549 1.00 20.03 C +ATOM 684 C TYR A 90 10.357 5.715 -9.147 1.00 19.86 C +ATOM 685 O TYR A 90 9.917 4.543 -9.141 1.00 20.24 O +ATOM 686 CB TYR A 90 8.304 7.060 -8.480 1.00 20.39 C +ATOM 687 CG TYR A 90 7.483 8.290 -8.810 1.00 19.43 C +ATOM 688 CD1 TYR A 90 8.010 9.546 -8.532 1.00 20.30 C +ATOM 689 CD2 TYR A 90 6.248 8.202 -9.411 1.00 18.88 C +ATOM 690 CE1 TYR A 90 7.296 10.716 -8.845 1.00 21.37 C +ATOM 691 CE2 TYR A 90 5.533 9.358 -9.732 1.00 19.72 C +ATOM 692 CZ TYR A 90 6.051 10.597 -9.448 1.00 20.24 C +ATOM 693 OH TYR A 90 5.396 11.758 -9.753 1.00 23.22 O +ATOM 694 N PRO A 91 11.588 6.074 -8.851 1.00 19.81 N +ATOM 695 CA PRO A 91 12.634 5.106 -8.497 1.00 19.85 C +ATOM 696 C PRO A 91 12.256 4.104 -7.423 1.00 18.84 C +ATOM 697 O PRO A 91 12.462 2.878 -7.543 1.00 18.99 O +ATOM 698 CB PRO A 91 13.847 5.982 -8.168 1.00 20.27 C +ATOM 699 CG PRO A 91 13.642 7.206 -9.043 1.00 20.27 C +ATOM 700 CD PRO A 91 12.130 7.452 -8.906 1.00 20.59 C +ATOM 701 N PHE A 92 11.624 4.617 -6.369 1.00 17.93 N +ATOM 702 CA PHE A 92 11.186 3.860 -5.211 1.00 15.97 C +ATOM 703 C PHE A 92 10.226 2.772 -5.621 1.00 14.65 C +ATOM 704 O PHE A 92 10.137 1.757 -4.903 1.00 15.44 O +ATOM 705 CB PHE A 92 10.662 4.805 -4.093 1.00 15.70 C +ATOM 706 CG PHE A 92 9.211 5.173 -4.233 1.00 16.10 C +ATOM 707 CD1 PHE A 92 8.226 4.400 -3.631 1.00 15.91 C +ATOM 708 CD2 PHE A 92 8.837 6.316 -4.952 1.00 15.61 C +ATOM 709 CE1 PHE A 92 6.865 4.716 -3.780 1.00 15.33 C +ATOM 710 CE2 PHE A 92 7.505 6.635 -5.095 1.00 15.03 C +ATOM 711 CZ PHE A 92 6.514 5.843 -4.505 1.00 14.74 C +ATOM 712 N THR A 93 9.515 2.913 -6.712 1.00 13.77 N +ATOM 713 CA THR A 93 8.560 1.912 -7.142 1.00 13.93 C +ATOM 714 C THR A 93 9.263 0.646 -7.677 1.00 13.93 C +ATOM 715 O THR A 93 8.659 -0.431 -7.529 1.00 13.19 O +ATOM 716 CB THR A 93 7.418 2.410 -8.085 1.00 13.63 C +ATOM 717 OG1 THR A 93 8.047 2.820 -9.333 1.00 15.78 O +ATOM 718 CG2 THR A 93 6.602 3.576 -7.478 1.00 15.12 C +ATOM 719 N TRP A 94 10.446 0.812 -8.195 1.00 14.10 N +ATOM 720 CA TRP A 94 11.220 -0.345 -8.720 1.00 14.60 C +ATOM 721 C TRP A 94 11.682 -1.232 -7.573 1.00 15.32 C +ATOM 722 O TRP A 94 11.855 -2.446 -7.770 1.00 16.10 O +ATOM 723 CB TRP A 94 12.352 0.137 -9.625 1.00 13.64 C +ATOM 724 CG TRP A 94 11.895 0.652 -10.957 1.00 13.98 C +ATOM 725 CD1 TRP A 94 12.071 1.947 -11.420 1.00 14.15 C +ATOM 726 CD2 TRP A 94 11.229 -0.062 -11.993 1.00 13.12 C +ATOM 727 NE1 TRP A 94 11.533 2.070 -12.667 1.00 13.70 N +ATOM 728 CE2 TRP A 94 11.009 0.871 -13.056 1.00 13.92 C +ATOM 729 CE3 TRP A 94 10.839 -1.370 -12.179 1.00 11.40 C +ATOM 730 CZ2 TRP A 94 10.396 0.502 -14.255 1.00 13.44 C +ATOM 731 CZ3 TRP A 94 10.202 -1.747 -13.350 1.00 12.27 C +ATOM 732 CH2 TRP A 94 9.982 -0.828 -14.379 1.00 13.85 C +ATOM 733 N ASP A 95 11.842 -0.709 -6.387 1.00 14.96 N +ATOM 734 CA ASP A 95 12.231 -1.438 -5.198 1.00 15.85 C +ATOM 735 C ASP A 95 11.188 -2.437 -4.739 1.00 16.08 C +ATOM 736 O ASP A 95 11.545 -3.435 -4.055 1.00 17.71 O +ATOM 737 CB ASP A 95 12.621 -0.498 -4.046 1.00 18.52 C +ATOM 738 CG ASP A 95 13.897 0.210 -4.329 1.00 21.33 C +ATOM 739 OD1 ASP A 95 14.809 -0.352 -4.958 1.00 26.28 O +ATOM 740 OD2 ASP A 95 14.059 1.384 -3.971 1.00 25.72 O +ATOM 741 N ALA A 96 9.936 -2.235 -5.066 1.00 13.99 N +ATOM 742 CA ALA A 96 8.821 -3.050 -4.693 1.00 13.76 C +ATOM 743 C ALA A 96 8.684 -4.357 -5.497 1.00 14.49 C +ATOM 744 O ALA A 96 7.969 -5.283 -5.090 1.00 14.33 O +ATOM 745 CB ALA A 96 7.485 -2.302 -4.855 1.00 9.79 C +ATOM 746 N VAL A 97 9.244 -4.316 -6.694 1.00 15.40 N +ATOM 747 CA VAL A 97 9.136 -5.433 -7.644 1.00 15.52 C +ATOM 748 C VAL A 97 10.472 -6.154 -7.904 1.00 17.45 C +ATOM 749 O VAL A 97 10.652 -6.720 -8.976 1.00 15.65 O +ATOM 750 CB VAL A 97 8.550 -4.877 -8.969 1.00 13.85 C +ATOM 751 CG1 VAL A 97 7.074 -4.571 -8.831 1.00 13.01 C +ATOM 752 CG2 VAL A 97 9.365 -3.757 -9.525 1.00 12.36 C +ATOM 753 N ARG A 98 11.361 -6.071 -6.975 1.00 19.71 N +ATOM 754 CA ARG A 98 12.668 -6.718 -6.965 1.00 23.97 C +ATOM 755 C ARG A 98 12.561 -7.922 -6.014 1.00 26.39 C +ATOM 756 O ARG A 98 12.081 -7.796 -4.871 1.00 26.81 O +ATOM 757 CB ARG A 98 13.749 -5.770 -6.508 1.00 24.88 C +ATOM 758 CG ARG A 98 14.920 -5.607 -7.426 1.00 28.34 C +ATOM 759 CD ARG A 98 15.753 -4.435 -7.088 1.00 31.29 C +ATOM 760 NE ARG A 98 15.171 -3.183 -7.541 1.00 36.32 N +ATOM 761 CZ ARG A 98 15.876 -2.057 -7.669 1.00 37.39 C +ATOM 762 NH1 ARG A 98 17.198 -2.143 -7.407 1.00 41.21 N +ATOM 763 NH2 ARG A 98 15.401 -0.881 -8.021 1.00 36.66 N +ATOM 764 N TYR A 99 12.949 -9.090 -6.491 1.00 28.66 N +ATOM 765 CA TYR A 99 12.941 -10.319 -5.690 1.00 31.21 C +ATOM 766 C TYR A 99 14.370 -10.892 -5.796 1.00 34.00 C +ATOM 767 O TYR A 99 14.728 -11.466 -6.825 1.00 34.53 O +ATOM 768 CB TYR A 99 11.907 -11.368 -6.040 1.00 30.84 C +ATOM 769 CG TYR A 99 11.841 -12.492 -5.026 1.00 31.78 C +ATOM 770 CD1 TYR A 99 11.356 -12.213 -3.745 1.00 32.60 C +ATOM 771 CD2 TYR A 99 12.277 -13.784 -5.310 1.00 32.48 C +ATOM 772 CE1 TYR A 99 11.288 -13.201 -2.777 1.00 34.93 C +ATOM 773 CE2 TYR A 99 12.203 -14.797 -4.354 1.00 33.79 C +ATOM 774 CZ TYR A 99 11.713 -14.499 -3.090 1.00 35.22 C +ATOM 775 OH TYR A 99 11.640 -15.474 -2.134 1.00 37.38 O +ATOM 776 N ASN A 100 15.100 -10.607 -4.747 1.00 37.03 N +ATOM 777 CA ASN A 100 16.495 -10.990 -4.564 1.00 39.43 C +ATOM 778 C ASN A 100 17.339 -10.504 -5.729 1.00 39.36 C +ATOM 779 O ASN A 100 18.026 -11.278 -6.380 1.00 39.65 O +ATOM 780 CB ASN A 100 16.628 -12.487 -4.282 1.00 43.24 C +ATOM 781 CG ASN A 100 16.381 -12.778 -2.802 1.00 45.78 C +ATOM 782 OD1 ASN A 100 16.353 -11.872 -1.961 1.00 47.06 O +ATOM 783 ND2 ASN A 100 16.174 -14.062 -2.502 1.00 48.97 N +ATOM 784 N GLY A 101 17.199 -9.210 -5.968 1.00 39.48 N +ATOM 785 CA GLY A 101 17.910 -8.509 -7.014 1.00 37.94 C +ATOM 786 C GLY A 101 17.259 -8.525 -8.376 1.00 36.41 C +ATOM 787 O GLY A 101 17.510 -7.560 -9.135 1.00 37.65 O +ATOM 788 N LYS A 102 16.478 -9.526 -8.694 1.00 34.19 N +ATOM 789 CA LYS A 102 15.806 -9.665 -9.989 1.00 31.24 C +ATOM 790 C LYS A 102 14.482 -8.877 -10.034 1.00 27.73 C +ATOM 791 O LYS A 102 13.718 -8.981 -9.075 1.00 26.10 O +ATOM 792 CB LYS A 102 15.467 -11.133 -10.258 1.00 34.22 C +ATOM 793 CG LYS A 102 16.285 -11.841 -11.325 1.00 37.28 C +ATOM 794 CD LYS A 102 17.468 -12.572 -10.715 1.00 42.03 C +ATOM 795 CE LYS A 102 18.497 -13.045 -11.731 1.00 44.71 C +ATOM 796 NZ LYS A 102 19.498 -11.993 -12.064 1.00 46.03 N +ATOM 797 N LEU A 103 14.285 -8.152 -11.109 1.00 23.77 N +ATOM 798 CA LEU A 103 13.047 -7.393 -11.380 1.00 20.24 C +ATOM 799 C LEU A 103 12.020 -8.431 -11.854 1.00 17.94 C +ATOM 800 O LEU A 103 12.239 -9.072 -12.912 1.00 16.66 O +ATOM 801 CB LEU A 103 13.322 -6.350 -12.449 1.00 21.15 C +ATOM 802 CG LEU A 103 13.600 -4.909 -12.203 1.00 20.40 C +ATOM 803 CD1 LEU A 103 14.978 -4.680 -11.626 1.00 23.86 C +ATOM 804 CD2 LEU A 103 13.587 -4.157 -13.539 1.00 22.19 C +ATOM 805 N ILE A 104 10.924 -8.576 -11.151 1.00 14.54 N +ATOM 806 CA ILE A 104 9.889 -9.546 -11.475 1.00 12.61 C +ATOM 807 C ILE A 104 8.517 -8.989 -11.786 1.00 11.57 C +ATOM 808 O ILE A 104 7.550 -9.770 -11.921 1.00 11.38 O +ATOM 809 CB ILE A 104 9.888 -10.694 -10.379 1.00 12.62 C +ATOM 810 CG1 ILE A 104 9.826 -10.106 -8.962 1.00 12.72 C +ATOM 811 CG2 ILE A 104 11.163 -11.569 -10.531 1.00 14.33 C +ATOM 812 CD1 ILE A 104 8.453 -9.757 -8.405 1.00 12.83 C +ATOM 813 N ALA A 105 8.416 -7.675 -11.972 1.00 11.27 N +ATOM 814 CA ALA A 105 7.099 -7.076 -12.321 1.00 11.68 C +ATOM 815 C ALA A 105 7.243 -5.585 -12.608 1.00 10.24 C +ATOM 816 O ALA A 105 8.224 -4.991 -12.251 1.00 10.59 O +ATOM 817 CB ALA A 105 6.104 -7.301 -11.177 1.00 11.31 C +ATOM 818 N TYR A 106 6.215 -5.059 -13.260 1.00 11.34 N +ATOM 819 CA TYR A 106 6.208 -3.579 -13.533 1.00 11.25 C +ATOM 820 C TYR A 106 5.231 -2.932 -12.500 1.00 10.46 C +ATOM 821 O TYR A 106 4.138 -3.449 -12.385 1.00 8.70 O +ATOM 822 CB TYR A 106 5.583 -3.310 -14.920 1.00 11.77 C +ATOM 823 CG TYR A 106 6.413 -3.783 -16.104 1.00 13.95 C +ATOM 824 CD1 TYR A 106 7.370 -2.952 -16.694 1.00 13.42 C +ATOM 825 CD2 TYR A 106 6.194 -5.060 -16.648 1.00 15.69 C +ATOM 826 CE1 TYR A 106 8.104 -3.358 -17.827 1.00 12.56 C +ATOM 827 CE2 TYR A 106 6.950 -5.474 -17.781 1.00 15.81 C +ATOM 828 CZ TYR A 106 7.882 -4.622 -18.336 1.00 13.75 C +ATOM 829 OH TYR A 106 8.608 -5.012 -19.430 1.00 15.88 O +ATOM 830 N PRO A 107 5.704 -1.861 -11.916 1.00 11.78 N +ATOM 831 CA PRO A 107 4.912 -1.088 -10.908 1.00 11.74 C +ATOM 832 C PRO A 107 3.805 -0.350 -11.646 1.00 11.24 C +ATOM 833 O PRO A 107 4.076 0.124 -12.759 1.00 12.61 O +ATOM 834 CB PRO A 107 5.939 -0.208 -10.272 1.00 12.46 C +ATOM 835 CG PRO A 107 7.294 -0.463 -10.822 1.00 11.42 C +ATOM 836 CD PRO A 107 7.030 -1.253 -12.097 1.00 11.82 C +ATOM 837 N ILE A 108 2.601 -0.315 -11.178 1.00 11.76 N +ATOM 838 CA ILE A 108 1.470 0.360 -11.830 1.00 12.69 C +ATOM 839 C ILE A 108 0.935 1.558 -11.004 1.00 13.42 C +ATOM 840 O ILE A 108 1.037 2.719 -11.418 1.00 12.05 O +ATOM 841 CB ILE A 108 0.318 -0.618 -12.176 1.00 11.64 C +ATOM 842 CG1 ILE A 108 0.793 -1.891 -12.921 1.00 12.32 C +ATOM 843 CG2 ILE A 108 -0.852 0.068 -12.944 1.00 13.13 C +ATOM 844 CD1 ILE A 108 1.493 -1.733 -14.249 1.00 12.38 C +ATOM 845 N ALA A 109 0.420 1.221 -9.823 1.00 14.28 N +ATOM 846 CA ALA A 109 -0.167 2.241 -8.888 1.00 13.47 C +ATOM 847 C ALA A 109 0.460 2.143 -7.525 1.00 14.11 C +ATOM 848 O ALA A 109 1.102 1.125 -7.221 1.00 12.94 O +ATOM 849 CB ALA A 109 -1.669 1.937 -8.866 1.00 12.95 C +ATOM 850 N VAL A 110 0.360 3.145 -6.689 1.00 14.52 N +ATOM 851 CA VAL A 110 0.925 3.227 -5.334 1.00 14.87 C +ATOM 852 C VAL A 110 -0.179 3.585 -4.317 1.00 16.14 C +ATOM 853 O VAL A 110 -1.088 4.398 -4.586 1.00 16.24 O +ATOM 854 CB VAL A 110 2.080 4.240 -5.378 1.00 15.78 C +ATOM 855 CG1 VAL A 110 2.816 4.425 -4.053 1.00 15.44 C +ATOM 856 CG2 VAL A 110 3.069 3.968 -6.515 1.00 16.08 C +ATOM 857 N GLU A 111 -0.159 2.949 -3.159 1.00 15.12 N +ATOM 858 CA GLU A 111 -1.161 3.180 -2.099 1.00 14.98 C +ATOM 859 C GLU A 111 -0.475 3.286 -0.763 1.00 14.19 C +ATOM 860 O GLU A 111 0.512 2.551 -0.511 1.00 14.54 O +ATOM 861 CB GLU A 111 -2.155 2.050 -1.987 1.00 17.47 C +ATOM 862 CG GLU A 111 -3.569 2.314 -2.436 1.00 22.67 C +ATOM 863 CD GLU A 111 -4.491 1.122 -2.356 1.00 26.09 C +ATOM 864 OE1 GLU A 111 -4.113 0.080 -1.814 1.00 27.17 O +ATOM 865 OE2 GLU A 111 -5.582 1.421 -2.893 1.00 27.04 O +ATOM 866 N ALA A 112 -0.918 4.237 0.061 1.00 12.07 N +ATOM 867 CA ALA A 112 -0.356 4.453 1.388 1.00 9.91 C +ATOM 868 C ALA A 112 -1.443 5.190 2.193 1.00 10.79 C +ATOM 869 O ALA A 112 -2.312 5.832 1.546 1.00 12.57 O +ATOM 870 CB ALA A 112 0.944 5.224 1.381 1.00 7.95 C +ATOM 871 N LEU A 113 -1.379 5.034 3.497 1.00 9.85 N +ATOM 872 CA LEU A 113 -2.342 5.736 4.397 1.00 8.62 C +ATOM 873 C LEU A 113 -2.022 7.215 4.355 1.00 6.99 C +ATOM 874 O LEU A 113 -0.913 7.653 4.139 1.00 5.87 O +ATOM 875 CB LEU A 113 -2.118 5.166 5.814 1.00 8.28 C +ATOM 876 CG LEU A 113 -2.704 3.806 6.105 1.00 7.20 C +ATOM 877 CD1 LEU A 113 -2.285 3.343 7.513 1.00 8.03 C +ATOM 878 CD2 LEU A 113 -4.193 3.749 5.910 1.00 5.88 C +ATOM 879 N SER A 114 -3.051 8.005 4.707 1.00 8.98 N +ATOM 880 CA SER A 114 -2.878 9.472 4.769 1.00 7.65 C +ATOM 881 C SER A 114 -3.707 9.966 6.009 1.00 6.31 C +ATOM 882 O SER A 114 -4.470 9.154 6.480 1.00 6.74 O +ATOM 883 CB SER A 114 -3.474 10.112 3.510 1.00 8.73 C +ATOM 884 OG SER A 114 -2.600 10.085 2.408 1.00 8.45 O +ATOM 885 N LEU A 115 -3.434 11.161 6.370 1.00 7.32 N +ATOM 886 CA LEU A 115 -4.209 11.832 7.479 1.00 8.45 C +ATOM 887 C LEU A 115 -5.460 12.449 6.821 1.00 7.94 C +ATOM 888 O LEU A 115 -5.237 13.211 5.875 1.00 8.70 O +ATOM 889 CB LEU A 115 -3.355 12.862 8.131 1.00 8.88 C +ATOM 890 CG LEU A 115 -3.576 13.228 9.591 1.00 13.50 C +ATOM 891 CD1 LEU A 115 -3.587 14.725 9.817 1.00 13.68 C +ATOM 892 CD2 LEU A 115 -4.685 12.514 10.291 1.00 13.97 C +ATOM 893 N ILE A 116 -6.620 12.075 7.234 1.00 8.36 N +ATOM 894 CA ILE A 116 -7.912 12.572 6.701 1.00 9.63 C +ATOM 895 C ILE A 116 -8.485 13.498 7.785 1.00 11.47 C +ATOM 896 O ILE A 116 -8.526 12.985 8.907 1.00 12.88 O +ATOM 897 CB ILE A 116 -8.877 11.449 6.315 1.00 8.42 C +ATOM 898 CG1 ILE A 116 -8.206 10.494 5.252 1.00 7.94 C +ATOM 899 CG2 ILE A 116 -10.251 11.937 5.758 1.00 8.26 C +ATOM 900 CD1 ILE A 116 -9.074 9.281 4.917 1.00 7.74 C +ATOM 901 N TYR A 117 -8.927 14.701 7.487 1.00 11.46 N +ATOM 902 CA TYR A 117 -9.423 15.566 8.592 1.00 10.41 C +ATOM 903 C TYR A 117 -10.669 16.314 8.149 1.00 11.01 C +ATOM 904 O TYR A 117 -10.900 16.422 6.960 1.00 11.37 O +ATOM 905 CB TYR A 117 -8.307 16.479 9.059 1.00 12.64 C +ATOM 906 CG TYR A 117 -7.917 17.520 8.031 1.00 15.52 C +ATOM 907 CD1 TYR A 117 -7.096 17.233 6.937 1.00 16.31 C +ATOM 908 CD2 TYR A 117 -8.420 18.809 8.175 1.00 17.27 C +ATOM 909 CE1 TYR A 117 -6.766 18.223 6.010 1.00 18.13 C +ATOM 910 CE2 TYR A 117 -8.123 19.797 7.247 1.00 18.79 C +ATOM 911 CZ TYR A 117 -7.305 19.509 6.180 1.00 19.16 C +ATOM 912 OH TYR A 117 -6.968 20.499 5.306 1.00 21.49 O +ATOM 913 N ASN A 118 -11.419 16.748 9.111 1.00 10.95 N +ATOM 914 CA ASN A 118 -12.721 17.442 8.947 1.00 12.04 C +ATOM 915 C ASN A 118 -12.395 18.937 8.921 1.00 12.91 C +ATOM 916 O ASN A 118 -12.001 19.423 9.957 1.00 12.41 O +ATOM 917 CB ASN A 118 -13.623 16.976 10.091 1.00 12.21 C +ATOM 918 CG ASN A 118 -15.038 17.535 9.952 1.00 12.82 C +ATOM 919 OD1 ASN A 118 -15.136 18.688 9.478 1.00 16.81 O +ATOM 920 ND2 ASN A 118 -16.032 16.759 10.244 1.00 11.52 N +ATOM 921 N LYS A 119 -12.515 19.537 7.740 1.00 14.83 N +ATOM 922 CA LYS A 119 -12.168 20.947 7.519 1.00 16.85 C +ATOM 923 C LYS A 119 -13.045 21.903 8.320 1.00 17.35 C +ATOM 924 O LYS A 119 -12.559 23.027 8.592 1.00 18.35 O +ATOM 925 CB LYS A 119 -12.169 21.335 6.063 1.00 17.35 C +ATOM 926 CG LYS A 119 -10.873 21.020 5.356 1.00 21.76 C +ATOM 927 CD LYS A 119 -10.971 20.521 3.950 1.00 23.76 C +ATOM 928 CE LYS A 119 -11.489 21.399 2.911 1.00 26.95 C +ATOM 929 NZ LYS A 119 -10.575 21.697 1.783 1.00 30.33 N +ATOM 930 N ASP A 120 -14.212 21.436 8.683 1.00 18.01 N +ATOM 931 CA ASP A 120 -15.149 22.237 9.511 1.00 19.92 C +ATOM 932 C ASP A 120 -14.779 22.213 10.987 1.00 20.62 C +ATOM 933 O ASP A 120 -15.157 23.170 11.726 1.00 23.24 O +ATOM 934 CB ASP A 120 -16.598 21.811 9.270 1.00 19.84 C +ATOM 935 CG ASP A 120 -17.170 22.075 7.914 1.00 19.41 C +ATOM 936 OD1 ASP A 120 -16.666 22.994 7.255 1.00 20.54 O +ATOM 937 OD2 ASP A 120 -18.120 21.408 7.493 1.00 21.55 O +ATOM 938 N LEU A 121 -14.091 21.228 11.520 1.00 19.62 N +ATOM 939 CA LEU A 121 -13.721 21.165 12.938 1.00 18.15 C +ATOM 940 C LEU A 121 -12.300 21.626 13.172 1.00 19.58 C +ATOM 941 O LEU A 121 -11.968 22.111 14.256 1.00 19.17 O +ATOM 942 CB LEU A 121 -13.858 19.698 13.394 1.00 15.91 C +ATOM 943 CG LEU A 121 -15.262 19.153 13.425 1.00 17.00 C +ATOM 944 CD1 LEU A 121 -15.325 17.668 13.794 1.00 15.81 C +ATOM 945 CD2 LEU A 121 -16.078 20.000 14.430 1.00 15.96 C +ATOM 946 N LEU A 122 -11.512 21.420 12.119 1.00 20.54 N +ATOM 947 CA LEU A 122 -10.077 21.690 12.167 1.00 22.99 C +ATOM 948 C LEU A 122 -9.660 22.478 10.933 1.00 26.02 C +ATOM 949 O LEU A 122 -9.683 21.918 9.843 1.00 26.24 O +ATOM 950 CB LEU A 122 -9.462 20.277 12.308 1.00 21.89 C +ATOM 951 CG LEU A 122 -8.182 20.102 13.052 1.00 21.81 C +ATOM 952 CD1 LEU A 122 -8.295 20.579 14.487 1.00 21.80 C +ATOM 953 CD2 LEU A 122 -7.744 18.631 13.043 1.00 21.68 C +ATOM 954 N PRO A 123 -9.271 23.720 11.177 1.00 29.42 N +ATOM 955 CA PRO A 123 -8.822 24.665 10.160 1.00 31.26 C +ATOM 956 C PRO A 123 -7.610 24.150 9.402 1.00 31.53 C +ATOM 957 O PRO A 123 -7.546 24.051 8.166 1.00 32.70 O +ATOM 958 CB PRO A 123 -8.474 25.947 10.941 1.00 31.73 C +ATOM 959 CG PRO A 123 -8.145 25.451 12.337 1.00 32.31 C +ATOM 960 CD PRO A 123 -9.199 24.344 12.536 1.00 31.27 C +ATOM 961 N ASN A 124 -6.610 23.857 10.218 1.00 31.60 N +ATOM 962 CA ASN A 124 -5.335 23.322 9.702 1.00 31.41 C +ATOM 963 C ASN A 124 -5.021 22.063 10.521 1.00 28.48 C +ATOM 964 O ASN A 124 -5.121 22.108 11.744 1.00 28.20 O +ATOM 965 CB ASN A 124 -4.252 24.383 9.711 1.00 34.71 C +ATOM 966 CG ASN A 124 -4.398 25.352 8.544 1.00 38.69 C +ATOM 967 OD1 ASN A 124 -3.454 25.607 7.781 1.00 41.25 O +ATOM 968 ND2 ASN A 124 -5.605 25.911 8.403 1.00 40.58 N +ATOM 969 N PRO A 125 -4.684 21.028 9.784 1.00 26.02 N +ATOM 970 CA PRO A 125 -4.328 19.741 10.433 1.00 23.80 C +ATOM 971 C PRO A 125 -3.046 19.951 11.212 1.00 20.47 C +ATOM 972 O PRO A 125 -2.238 20.796 10.823 1.00 18.62 O +ATOM 973 CB PRO A 125 -4.148 18.792 9.252 1.00 25.24 C +ATOM 974 CG PRO A 125 -3.838 19.652 8.066 1.00 25.15 C +ATOM 975 CD PRO A 125 -4.594 20.965 8.330 1.00 25.12 C +ATOM 976 N PRO A 126 -2.849 19.151 12.254 1.00 18.83 N +ATOM 977 CA PRO A 126 -1.635 19.236 13.076 1.00 16.79 C +ATOM 978 C PRO A 126 -0.455 18.729 12.245 1.00 15.65 C +ATOM 979 O PRO A 126 -0.699 17.820 11.456 1.00 15.04 O +ATOM 980 CB PRO A 126 -1.906 18.300 14.252 1.00 17.74 C +ATOM 981 CG PRO A 126 -2.911 17.317 13.729 1.00 18.12 C +ATOM 982 CD PRO A 126 -3.767 18.123 12.750 1.00 18.46 C +ATOM 983 N LYS A 127 0.692 19.313 12.438 1.00 13.46 N +ATOM 984 CA LYS A 127 1.859 18.920 11.718 1.00 15.42 C +ATOM 985 C LYS A 127 2.628 17.815 12.430 1.00 14.21 C +ATOM 986 O LYS A 127 3.396 17.076 11.840 1.00 12.96 O +ATOM 987 CB LYS A 127 2.772 20.108 11.427 1.00 18.50 C +ATOM 988 CG LYS A 127 2.138 20.947 10.268 1.00 23.79 C +ATOM 989 CD LYS A 127 1.840 20.071 9.046 1.00 28.78 C +ATOM 990 CE LYS A 127 0.397 20.079 8.563 1.00 29.77 C +ATOM 991 NZ LYS A 127 0.182 19.252 7.334 1.00 29.36 N +ATOM 992 N THR A 128 2.330 17.712 13.681 1.00 13.90 N +ATOM 993 CA THR A 128 2.969 16.830 14.667 1.00 14.12 C +ATOM 994 C THR A 128 2.028 15.937 15.419 1.00 13.69 C +ATOM 995 O THR A 128 0.860 16.291 15.666 1.00 13.97 O +ATOM 996 CB THR A 128 3.607 17.914 15.664 1.00 16.06 C +ATOM 997 OG1 THR A 128 4.986 18.155 15.304 1.00 20.05 O +ATOM 998 CG2 THR A 128 3.302 17.760 17.106 1.00 16.06 C +ATOM 999 N TRP A 129 2.543 14.757 15.825 1.00 12.44 N +ATOM 1000 CA TRP A 129 1.797 13.826 16.654 1.00 11.36 C +ATOM 1001 C TRP A 129 1.788 14.392 18.118 1.00 10.70 C +ATOM 1002 O TRP A 129 0.844 14.136 18.825 1.00 11.31 O +ATOM 1003 CB TRP A 129 2.396 12.415 16.731 1.00 11.74 C +ATOM 1004 CG TRP A 129 2.046 11.486 15.613 1.00 12.02 C +ATOM 1005 CD1 TRP A 129 2.738 11.206 14.464 1.00 9.63 C +ATOM 1006 CD2 TRP A 129 0.854 10.685 15.573 1.00 12.45 C +ATOM 1007 NE1 TRP A 129 2.025 10.276 13.700 1.00 9.70 N +ATOM 1008 CE2 TRP A 129 0.908 9.918 14.387 1.00 10.62 C +ATOM 1009 CE3 TRP A 129 -0.197 10.509 16.480 1.00 11.23 C +ATOM 1010 CZ2 TRP A 129 -0.106 9.036 14.054 1.00 9.89 C +ATOM 1011 CZ3 TRP A 129 -1.143 9.582 16.155 1.00 10.80 C +ATOM 1012 CH2 TRP A 129 -1.132 8.879 14.959 1.00 10.60 C +ATOM 1013 N GLU A 130 2.849 15.051 18.498 1.00 12.18 N +ATOM 1014 CA GLU A 130 3.070 15.575 19.833 1.00 14.00 C +ATOM 1015 C GLU A 130 2.028 16.582 20.270 1.00 15.44 C +ATOM 1016 O GLU A 130 1.755 16.715 21.474 1.00 16.46 O +ATOM 1017 CB GLU A 130 4.461 16.137 20.081 1.00 13.21 C +ATOM 1018 CG GLU A 130 5.599 15.088 20.080 1.00 14.39 C +ATOM 1019 CD GLU A 130 6.271 14.781 18.797 1.00 14.62 C +ATOM 1020 OE1 GLU A 130 5.695 15.066 17.737 1.00 14.60 O +ATOM 1021 OE2 GLU A 130 7.378 14.264 18.738 1.00 18.25 O +ATOM 1022 N GLU A 131 1.387 17.197 19.302 1.00 16.68 N +ATOM 1023 CA GLU A 131 0.358 18.209 19.593 1.00 17.26 C +ATOM 1024 C GLU A 131 -1.021 17.647 19.590 1.00 17.84 C +ATOM 1025 O GLU A 131 -1.966 18.432 19.849 1.00 18.95 O +ATOM 1026 CB GLU A 131 0.498 19.353 18.606 1.00 18.53 C +ATOM 1027 CG GLU A 131 0.119 19.152 17.164 1.00 20.87 C +ATOM 1028 CD GLU A 131 0.455 20.264 16.209 1.00 23.18 C +ATOM 1029 OE1 GLU A 131 1.555 20.418 15.709 1.00 23.74 O +ATOM 1030 OE2 GLU A 131 -0.531 20.994 15.958 1.00 24.27 O +ATOM 1031 N ILE A 132 -1.247 16.358 19.384 1.00 16.49 N +ATOM 1032 CA ILE A 132 -2.568 15.770 19.381 1.00 16.00 C +ATOM 1033 C ILE A 132 -3.261 15.743 20.734 1.00 17.03 C +ATOM 1034 O ILE A 132 -4.473 16.052 20.821 1.00 15.59 O +ATOM 1035 CB ILE A 132 -2.632 14.453 18.550 1.00 15.57 C +ATOM 1036 CG1 ILE A 132 -2.352 14.844 17.074 1.00 16.27 C +ATOM 1037 CG2 ILE A 132 -3.945 13.681 18.740 1.00 15.85 C +ATOM 1038 CD1 ILE A 132 -2.454 13.653 16.085 1.00 16.98 C +ATOM 1039 N PRO A 133 -2.575 15.353 21.780 1.00 17.55 N +ATOM 1040 CA PRO A 133 -3.150 15.335 23.125 1.00 18.55 C +ATOM 1041 C PRO A 133 -3.824 16.658 23.516 1.00 17.75 C +ATOM 1042 O PRO A 133 -4.962 16.612 24.002 1.00 19.00 O +ATOM 1043 CB PRO A 133 -1.933 15.014 24.010 1.00 18.73 C +ATOM 1044 CG PRO A 133 -1.069 14.165 23.099 1.00 17.84 C +ATOM 1045 CD PRO A 133 -1.150 14.945 21.787 1.00 18.09 C +ATOM 1046 N ALA A 134 -3.193 17.774 23.348 1.00 16.95 N +ATOM 1047 CA ALA A 134 -3.624 19.135 23.618 1.00 17.06 C +ATOM 1048 C ALA A 134 -4.832 19.534 22.783 1.00 18.94 C +ATOM 1049 O ALA A 134 -5.809 20.211 23.212 1.00 19.68 O +ATOM 1050 CB ALA A 134 -2.447 20.071 23.461 1.00 15.81 C +ATOM 1051 N LEU A 135 -4.821 19.138 21.533 1.00 18.37 N +ATOM 1052 CA LEU A 135 -5.877 19.362 20.562 1.00 18.66 C +ATOM 1053 C LEU A 135 -7.122 18.574 20.970 1.00 17.37 C +ATOM 1054 O LEU A 135 -8.241 19.058 20.813 1.00 17.30 O +ATOM 1055 CB LEU A 135 -5.364 18.906 19.187 1.00 18.76 C +ATOM 1056 CG LEU A 135 -6.071 19.402 17.974 1.00 20.62 C +ATOM 1057 CD1 LEU A 135 -5.656 20.880 17.810 1.00 22.01 C +ATOM 1058 CD2 LEU A 135 -5.606 18.611 16.747 1.00 20.31 C +ATOM 1059 N ASP A 136 -6.881 17.362 21.452 1.00 16.21 N +ATOM 1060 CA ASP A 136 -7.968 16.494 21.889 1.00 16.74 C +ATOM 1061 C ASP A 136 -8.686 17.145 23.111 1.00 17.81 C +ATOM 1062 O ASP A 136 -9.904 17.015 23.139 1.00 17.70 O +ATOM 1063 CB ASP A 136 -7.504 15.094 22.231 1.00 15.14 C +ATOM 1064 CG ASP A 136 -8.675 14.181 22.430 1.00 14.79 C +ATOM 1065 OD1 ASP A 136 -9.522 13.963 21.581 1.00 16.04 O +ATOM 1066 OD2 ASP A 136 -8.743 13.667 23.562 1.00 16.11 O +ATOM 1067 N LYS A 137 -7.932 17.726 23.999 1.00 19.72 N +ATOM 1068 CA LYS A 137 -8.527 18.385 25.198 1.00 22.31 C +ATOM 1069 C LYS A 137 -9.346 19.603 24.755 1.00 21.35 C +ATOM 1070 O LYS A 137 -10.482 19.793 25.237 1.00 20.15 O +ATOM 1071 CB LYS A 137 -7.502 18.639 26.250 1.00 25.50 C +ATOM 1072 CG LYS A 137 -6.870 20.017 26.300 1.00 32.24 C +ATOM 1073 CD LYS A 137 -7.680 21.038 27.076 1.00 36.76 C +ATOM 1074 CE LYS A 137 -7.371 22.475 26.653 1.00 39.32 C +ATOM 1075 NZ LYS A 137 -8.497 23.368 27.086 1.00 41.28 N +ATOM 1076 N GLU A 138 -8.920 20.339 23.749 1.00 21.30 N +ATOM 1077 CA GLU A 138 -9.666 21.480 23.224 1.00 21.19 C +ATOM 1078 C GLU A 138 -10.936 21.075 22.517 1.00 20.77 C +ATOM 1079 O GLU A 138 -11.974 21.764 22.641 1.00 20.19 O +ATOM 1080 CB GLU A 138 -8.913 22.361 22.253 1.00 23.72 C +ATOM 1081 CG GLU A 138 -7.794 23.220 22.844 1.00 29.27 C +ATOM 1082 CD GLU A 138 -7.036 24.042 21.825 1.00 33.60 C +ATOM 1083 OE1 GLU A 138 -7.853 24.588 21.035 1.00 33.80 O +ATOM 1084 OE2 GLU A 138 -5.800 24.095 21.806 1.00 35.57 O +ATOM 1085 N LEU A 139 -10.884 19.964 21.786 1.00 18.91 N +ATOM 1086 CA LEU A 139 -12.035 19.443 21.067 1.00 17.16 C +ATOM 1087 C LEU A 139 -13.058 18.787 21.969 1.00 16.16 C +ATOM 1088 O LEU A 139 -14.257 18.759 21.684 1.00 15.64 O +ATOM 1089 CB LEU A 139 -11.549 18.568 19.911 1.00 16.97 C +ATOM 1090 CG LEU A 139 -11.072 19.303 18.658 1.00 19.22 C +ATOM 1091 CD1 LEU A 139 -10.248 18.369 17.771 1.00 16.35 C +ATOM 1092 CD2 LEU A 139 -12.339 19.750 17.893 1.00 19.09 C +ATOM 1093 N LYS A 140 -12.594 18.215 23.048 1.00 16.25 N +ATOM 1094 CA LYS A 140 -13.373 17.528 24.066 1.00 17.13 C +ATOM 1095 C LYS A 140 -14.290 18.554 24.790 1.00 17.38 C +ATOM 1096 O LYS A 140 -15.377 18.207 25.229 1.00 17.86 O +ATOM 1097 CB LYS A 140 -12.488 16.805 25.058 1.00 17.56 C +ATOM 1098 CG LYS A 140 -11.801 15.514 24.585 1.00 19.44 C +ATOM 1099 CD LYS A 140 -12.775 14.453 24.169 1.00 21.41 C +ATOM 1100 CE LYS A 140 -12.179 13.250 23.500 1.00 24.09 C +ATOM 1101 NZ LYS A 140 -11.042 12.682 24.318 1.00 25.43 N +ATOM 1102 N ALA A 141 -13.800 19.751 24.876 1.00 18.18 N +ATOM 1103 CA ALA A 141 -14.516 20.913 25.438 1.00 19.99 C +ATOM 1104 C ALA A 141 -15.827 21.142 24.686 1.00 20.94 C +ATOM 1105 O ALA A 141 -16.735 21.736 25.276 1.00 22.05 O +ATOM 1106 CB ALA A 141 -13.634 22.146 25.379 1.00 18.72 C +ATOM 1107 N LYS A 142 -15.949 20.704 23.450 1.00 21.60 N +ATOM 1108 CA LYS A 142 -17.114 20.809 22.599 1.00 22.35 C +ATOM 1109 C LYS A 142 -17.795 19.478 22.288 1.00 21.22 C +ATOM 1110 O LYS A 142 -18.713 19.415 21.414 1.00 20.91 O +ATOM 1111 CB LYS A 142 -16.844 21.410 21.233 1.00 25.58 C +ATOM 1112 CG LYS A 142 -16.399 22.853 21.218 1.00 31.58 C +ATOM 1113 CD LYS A 142 -15.228 23.063 20.268 1.00 34.48 C +ATOM 1114 CE LYS A 142 -15.488 22.763 18.804 1.00 35.00 C +ATOM 1115 NZ LYS A 142 -14.305 23.301 18.031 1.00 37.58 N +ATOM 1116 N GLY A 143 -17.357 18.433 22.954 1.00 20.45 N +ATOM 1117 CA GLY A 143 -17.932 17.106 22.788 1.00 20.28 C +ATOM 1118 C GLY A 143 -17.363 16.369 21.553 1.00 19.91 C +ATOM 1119 O GLY A 143 -17.981 15.396 21.153 1.00 20.59 O +ATOM 1120 N LYS A 144 -16.249 16.805 21.037 1.00 19.56 N +ATOM 1121 CA LYS A 144 -15.612 16.163 19.866 1.00 19.04 C +ATOM 1122 C LYS A 144 -14.244 15.630 20.290 1.00 18.45 C +ATOM 1123 O LYS A 144 -13.656 16.151 21.255 1.00 19.05 O +ATOM 1124 CB LYS A 144 -15.411 17.185 18.746 1.00 18.97 C +ATOM 1125 CG LYS A 144 -16.595 17.989 18.236 1.00 17.82 C +ATOM 1126 CD LYS A 144 -17.712 17.116 17.759 1.00 18.60 C +ATOM 1127 CE LYS A 144 -18.882 17.800 17.094 1.00 20.08 C +ATOM 1128 NZ LYS A 144 -19.796 16.779 16.506 1.00 20.45 N +ATOM 1129 N SER A 145 -13.713 14.644 19.555 1.00 17.85 N +ATOM 1130 CA SER A 145 -12.361 14.118 19.827 1.00 15.94 C +ATOM 1131 C SER A 145 -11.464 14.517 18.631 1.00 14.84 C +ATOM 1132 O SER A 145 -11.938 14.798 17.531 1.00 14.65 O +ATOM 1133 CB SER A 145 -12.355 12.621 20.022 1.00 15.93 C +ATOM 1134 OG SER A 145 -12.723 11.958 18.835 1.00 19.00 O +ATOM 1135 N ALA A 146 -10.166 14.527 18.852 1.00 13.30 N +ATOM 1136 CA ALA A 146 -9.179 14.884 17.855 1.00 11.58 C +ATOM 1137 C ALA A 146 -9.009 13.813 16.778 1.00 13.16 C +ATOM 1138 O ALA A 146 -9.162 14.110 15.577 1.00 13.34 O +ATOM 1139 CB ALA A 146 -7.879 15.195 18.566 1.00 8.58 C +ATOM 1140 N LEU A 147 -8.723 12.579 17.174 1.00 13.63 N +ATOM 1141 CA LEU A 147 -8.443 11.494 16.225 1.00 12.68 C +ATOM 1142 C LEU A 147 -8.948 10.146 16.640 1.00 13.47 C +ATOM 1143 O LEU A 147 -8.917 9.841 17.859 1.00 15.31 O +ATOM 1144 CB LEU A 147 -6.863 11.474 16.224 1.00 11.85 C +ATOM 1145 CG LEU A 147 -6.211 10.288 15.486 1.00 11.88 C +ATOM 1146 CD1 LEU A 147 -6.349 10.365 13.986 1.00 11.84 C +ATOM 1147 CD2 LEU A 147 -4.727 10.282 15.860 1.00 11.12 C +ATOM 1148 N MET A 148 -9.397 9.351 15.700 1.00 12.27 N +ATOM 1149 CA MET A 148 -9.825 7.989 15.902 1.00 13.66 C +ATOM 1150 C MET A 148 -9.377 7.157 14.676 1.00 14.59 C +ATOM 1151 O MET A 148 -9.754 7.534 13.554 1.00 15.43 O +ATOM 1152 CB MET A 148 -11.325 7.847 16.120 1.00 16.42 C +ATOM 1153 CG MET A 148 -11.631 7.907 17.632 1.00 19.53 C +ATOM 1154 SD MET A 148 -13.398 7.780 17.788 1.00 28.20 S +ATOM 1155 CE MET A 148 -13.766 6.081 17.492 1.00 21.45 C +ATOM 1156 N PHE A 149 -8.663 6.074 14.898 1.00 13.52 N +ATOM 1157 CA PHE A 149 -8.236 5.178 13.809 1.00 14.03 C +ATOM 1158 C PHE A 149 -8.189 3.738 14.368 1.00 14.70 C +ATOM 1159 O PHE A 149 -8.283 3.515 15.574 1.00 14.65 O +ATOM 1160 CB PHE A 149 -6.936 5.605 13.175 1.00 13.14 C +ATOM 1161 CG PHE A 149 -5.677 5.566 13.955 1.00 13.09 C +ATOM 1162 CD1 PHE A 149 -5.372 6.475 14.927 1.00 13.64 C +ATOM 1163 CD2 PHE A 149 -4.748 4.532 13.719 1.00 14.21 C +ATOM 1164 CE1 PHE A 149 -4.154 6.431 15.616 1.00 16.15 C +ATOM 1165 CE2 PHE A 149 -3.538 4.478 14.352 1.00 13.77 C +ATOM 1166 CZ PHE A 149 -3.229 5.397 15.339 1.00 14.41 C +ATOM 1167 N ASN A 150 -8.061 2.798 13.444 1.00 15.14 N +ATOM 1168 CA ASN A 150 -7.998 1.372 13.762 1.00 14.34 C +ATOM 1169 C ASN A 150 -6.726 1.065 14.557 1.00 15.12 C +ATOM 1170 O ASN A 150 -5.643 1.135 14.020 1.00 15.41 O +ATOM 1171 CB ASN A 150 -8.016 0.572 12.459 1.00 15.40 C +ATOM 1172 CG ASN A 150 -8.171 -0.921 12.717 1.00 15.30 C +ATOM 1173 OD1 ASN A 150 -8.263 -1.362 13.849 1.00 14.10 O +ATOM 1174 ND2 ASN A 150 -8.199 -1.652 11.613 1.00 17.17 N +ATOM 1175 N LEU A 151 -6.875 0.723 15.815 1.00 15.04 N +ATOM 1176 CA LEU A 151 -5.774 0.381 16.685 1.00 15.73 C +ATOM 1177 C LEU A 151 -5.490 -1.131 16.701 1.00 15.23 C +ATOM 1178 O LEU A 151 -4.430 -1.474 17.218 1.00 15.77 O +ATOM 1179 CB LEU A 151 -6.083 0.923 18.095 1.00 14.38 C +ATOM 1180 CG LEU A 151 -6.179 2.444 18.230 1.00 14.13 C +ATOM 1181 CD1 LEU A 151 -6.474 2.805 19.691 1.00 14.97 C +ATOM 1182 CD2 LEU A 151 -4.884 3.129 17.903 1.00 13.19 C +ATOM 1183 N GLN A 152 -6.332 -1.930 16.168 1.00 15.70 N +ATOM 1184 CA GLN A 152 -6.284 -3.384 16.180 1.00 17.70 C +ATOM 1185 C GLN A 152 -5.275 -4.037 15.254 1.00 18.95 C +ATOM 1186 O GLN A 152 -4.693 -5.086 15.596 1.00 19.24 O +ATOM 1187 CB GLN A 152 -7.665 -3.981 15.873 1.00 16.95 C +ATOM 1188 CG GLN A 152 -8.740 -3.700 16.877 1.00 22.33 C +ATOM 1189 CD GLN A 152 -8.325 -3.567 18.308 1.00 24.80 C +ATOM 1190 OE1 GLN A 152 -8.036 -4.559 18.961 1.00 26.78 O +ATOM 1191 NE2 GLN A 152 -8.306 -2.316 18.842 1.00 26.75 N +ATOM 1192 N GLU A 153 -5.108 -3.452 14.081 1.00 18.48 N +ATOM 1193 CA GLU A 153 -4.188 -3.982 13.079 1.00 18.52 C +ATOM 1194 C GLU A 153 -2.968 -3.149 12.939 1.00 16.69 C +ATOM 1195 O GLU A 153 -3.008 -1.903 12.832 1.00 15.14 O +ATOM 1196 CB GLU A 153 -4.954 -4.230 11.795 1.00 23.25 C +ATOM 1197 CG GLU A 153 -4.132 -4.349 10.506 1.00 30.02 C +ATOM 1198 CD GLU A 153 -3.416 -5.666 10.326 1.00 33.02 C +ATOM 1199 OE1 GLU A 153 -3.931 -6.720 10.717 1.00 34.38 O +ATOM 1200 OE2 GLU A 153 -2.303 -5.492 9.773 1.00 32.94 O +ATOM 1201 N PRO A 154 -1.786 -3.817 12.944 1.00 14.75 N +ATOM 1202 CA PRO A 154 -0.512 -3.141 12.826 1.00 13.27 C +ATOM 1203 C PRO A 154 -0.327 -2.317 11.540 1.00 10.29 C +ATOM 1204 O PRO A 154 0.515 -1.444 11.553 1.00 8.84 O +ATOM 1205 CB PRO A 154 0.555 -4.201 12.989 1.00 13.30 C +ATOM 1206 CG PRO A 154 -0.165 -5.468 13.265 1.00 14.81 C +ATOM 1207 CD PRO A 154 -1.645 -5.267 13.110 1.00 13.92 C +ATOM 1208 N TYR A 155 -1.020 -2.656 10.497 1.00 11.01 N +ATOM 1209 CA TYR A 155 -0.957 -1.902 9.226 1.00 11.58 C +ATOM 1210 C TYR A 155 -1.269 -0.414 9.551 1.00 11.98 C +ATOM 1211 O TYR A 155 -0.606 0.512 9.085 1.00 12.84 O +ATOM 1212 CB TYR A 155 -1.970 -2.483 8.224 1.00 11.85 C +ATOM 1213 CG TYR A 155 -1.958 -1.735 6.895 1.00 13.39 C +ATOM 1214 CD1 TYR A 155 -1.002 -1.952 5.902 1.00 15.25 C +ATOM 1215 CD2 TYR A 155 -2.908 -0.730 6.661 1.00 15.05 C +ATOM 1216 CE1 TYR A 155 -0.996 -1.246 4.706 1.00 15.47 C +ATOM 1217 CE2 TYR A 155 -2.896 0.026 5.508 1.00 15.58 C +ATOM 1218 CZ TYR A 155 -1.990 -0.256 4.498 1.00 16.89 C +ATOM 1219 OH TYR A 155 -2.024 0.513 3.366 1.00 16.58 O +ATOM 1220 N PHE A 156 -2.267 -0.201 10.399 1.00 11.48 N +ATOM 1221 CA PHE A 156 -2.670 1.137 10.840 1.00 10.40 C +ATOM 1222 C PHE A 156 -1.782 1.762 11.883 1.00 10.54 C +ATOM 1223 O PHE A 156 -1.533 2.992 11.829 1.00 11.46 O +ATOM 1224 CB PHE A 156 -4.139 1.077 11.267 1.00 10.84 C +ATOM 1225 CG PHE A 156 -5.081 0.825 10.150 1.00 11.62 C +ATOM 1226 CD1 PHE A 156 -5.398 -0.479 9.776 1.00 11.61 C +ATOM 1227 CD2 PHE A 156 -5.640 1.913 9.457 1.00 12.00 C +ATOM 1228 CE1 PHE A 156 -6.266 -0.730 8.726 1.00 12.35 C +ATOM 1229 CE2 PHE A 156 -6.524 1.667 8.401 1.00 12.25 C +ATOM 1230 CZ PHE A 156 -6.838 0.354 8.022 1.00 13.11 C +ATOM 1231 N THR A 157 -1.179 1.037 12.821 1.00 9.12 N +ATOM 1232 CA THR A 157 -0.342 1.664 13.831 1.00 9.94 C +ATOM 1233 C THR A 157 1.098 1.803 13.449 1.00 10.41 C +ATOM 1234 O THR A 157 1.816 2.630 14.003 1.00 9.74 O +ATOM 1235 CB THR A 157 -0.540 0.940 15.226 1.00 11.30 C +ATOM 1236 OG1 THR A 157 -0.216 -0.446 14.898 1.00 12.39 O +ATOM 1237 CG2 THR A 157 -2.033 1.027 15.682 1.00 12.16 C +ATOM 1238 N TRP A 158 1.553 1.040 12.467 1.00 11.61 N +ATOM 1239 CA TRP A 158 2.948 1.106 12.012 1.00 11.36 C +ATOM 1240 C TRP A 158 3.472 2.476 11.696 1.00 11.12 C +ATOM 1241 O TRP A 158 4.638 2.752 12.067 1.00 11.34 O +ATOM 1242 CB TRP A 158 3.178 0.125 10.839 1.00 13.32 C +ATOM 1243 CG TRP A 158 4.641 -0.067 10.543 1.00 13.13 C +ATOM 1244 CD1 TRP A 158 5.333 0.345 9.459 1.00 12.10 C +ATOM 1245 CD2 TRP A 158 5.587 -0.745 11.394 1.00 14.71 C +ATOM 1246 NE1 TRP A 158 6.634 -0.024 9.554 1.00 11.99 N +ATOM 1247 CE2 TRP A 158 6.821 -0.718 10.716 1.00 13.38 C +ATOM 1248 CE3 TRP A 158 5.497 -1.351 12.647 1.00 14.89 C +ATOM 1249 CZ2 TRP A 158 7.982 -1.285 11.262 1.00 13.88 C +ATOM 1250 CZ3 TRP A 158 6.664 -1.917 13.180 1.00 15.67 C +ATOM 1251 CH2 TRP A 158 7.887 -1.889 12.503 1.00 12.99 C +ATOM 1252 N PRO A 159 2.710 3.356 11.001 1.00 9.40 N +ATOM 1253 CA PRO A 159 3.237 4.695 10.688 1.00 8.77 C +ATOM 1254 C PRO A 159 3.867 5.414 11.848 1.00 8.60 C +ATOM 1255 O PRO A 159 4.926 6.049 11.689 1.00 8.88 O +ATOM 1256 CB PRO A 159 2.081 5.412 10.024 1.00 6.62 C +ATOM 1257 CG PRO A 159 1.060 4.407 9.695 1.00 6.54 C +ATOM 1258 CD PRO A 159 1.374 3.143 10.481 1.00 7.59 C +ATOM 1259 N LEU A 160 3.231 5.350 13.019 1.00 8.72 N +ATOM 1260 CA LEU A 160 3.704 5.987 14.251 1.00 10.81 C +ATOM 1261 C LEU A 160 4.879 5.215 14.888 1.00 10.33 C +ATOM 1262 O LEU A 160 5.858 5.828 15.273 1.00 11.51 O +ATOM 1263 CB LEU A 160 2.525 6.102 15.234 1.00 9.76 C +ATOM 1264 CG LEU A 160 2.468 7.124 16.323 1.00 12.95 C +ATOM 1265 CD1 LEU A 160 1.728 6.573 17.546 1.00 12.88 C +ATOM 1266 CD2 LEU A 160 3.720 7.854 16.706 1.00 9.49 C +ATOM 1267 N ILE A 161 4.719 3.902 14.979 1.00 12.49 N +ATOM 1268 CA ILE A 161 5.744 3.015 15.568 1.00 13.21 C +ATOM 1269 C ILE A 161 7.061 3.121 14.827 1.00 12.93 C +ATOM 1270 O ILE A 161 8.120 3.255 15.433 1.00 14.88 O +ATOM 1271 CB ILE A 161 5.187 1.551 15.726 1.00 12.87 C +ATOM 1272 CG1 ILE A 161 4.072 1.561 16.808 1.00 12.94 C +ATOM 1273 CG2 ILE A 161 6.279 0.511 16.108 1.00 13.89 C +ATOM 1274 CD1 ILE A 161 3.120 0.340 16.647 1.00 13.89 C +ATOM 1275 N ALA A 162 7.034 3.130 13.513 1.00 12.95 N +ATOM 1276 CA ALA A 162 8.188 3.243 12.641 1.00 11.99 C +ATOM 1277 C ALA A 162 8.805 4.603 12.505 1.00 12.88 C +ATOM 1278 O ALA A 162 10.017 4.729 12.208 1.00 13.80 O +ATOM 1279 CB ALA A 162 7.716 2.791 11.238 1.00 13.02 C +ATOM 1280 N ALA A 163 8.060 5.686 12.628 1.00 13.69 N +ATOM 1281 CA ALA A 163 8.478 7.071 12.490 1.00 13.24 C +ATOM 1282 C ALA A 163 9.895 7.375 12.943 1.00 14.22 C +ATOM 1283 O ALA A 163 10.697 7.883 12.145 1.00 14.26 O +ATOM 1284 CB ALA A 163 7.484 8.023 13.230 1.00 12.70 C +ATOM 1285 N ASP A 164 10.188 7.122 14.213 1.00 14.59 N +ATOM 1286 CA ASP A 164 11.485 7.388 14.800 1.00 15.31 C +ATOM 1287 C ASP A 164 12.527 6.287 14.704 1.00 15.74 C +ATOM 1288 O ASP A 164 13.489 6.256 15.495 1.00 16.28 O +ATOM 1289 CB ASP A 164 11.272 7.815 16.257 1.00 16.25 C +ATOM 1290 CG ASP A 164 12.490 8.580 16.753 1.00 17.84 C +ATOM 1291 OD1 ASP A 164 13.064 9.404 16.043 1.00 18.33 O +ATOM 1292 OD2 ASP A 164 12.830 8.241 17.897 1.00 19.58 O +ATOM 1293 N GLY A 165 12.459 5.409 13.738 1.00 17.37 N +ATOM 1294 CA GLY A 165 13.486 4.359 13.589 1.00 16.75 C +ATOM 1295 C GLY A 165 13.051 2.956 13.394 1.00 15.61 C +ATOM 1296 O GLY A 165 13.944 2.155 13.077 1.00 17.11 O +ATOM 1297 N GLY A 166 11.830 2.554 13.507 1.00 15.17 N +ATOM 1298 CA GLY A 166 11.401 1.161 13.307 1.00 16.21 C +ATOM 1299 C GLY A 166 11.354 0.805 11.844 1.00 16.59 C +ATOM 1300 O GLY A 166 11.170 1.667 10.987 1.00 17.18 O +ATOM 1301 N TYR A 167 11.490 -0.475 11.552 1.00 17.49 N +ATOM 1302 CA TYR A 167 11.421 -1.042 10.184 1.00 17.71 C +ATOM 1303 C TYR A 167 11.147 -2.545 10.354 1.00 17.10 C +ATOM 1304 O TYR A 167 11.460 -3.025 11.447 1.00 17.29 O +ATOM 1305 CB TYR A 167 12.673 -0.826 9.360 1.00 18.10 C +ATOM 1306 CG TYR A 167 13.972 -1.277 10.012 1.00 19.82 C +ATOM 1307 CD1 TYR A 167 14.444 -2.587 9.863 1.00 19.06 C +ATOM 1308 CD2 TYR A 167 14.710 -0.376 10.779 1.00 20.68 C +ATOM 1309 CE1 TYR A 167 15.631 -2.970 10.474 1.00 19.02 C +ATOM 1310 CE2 TYR A 167 15.906 -0.741 11.388 1.00 21.32 C +ATOM 1311 CZ TYR A 167 16.341 -2.074 11.209 1.00 20.28 C +ATOM 1312 OH TYR A 167 17.493 -2.445 11.829 1.00 22.70 O +ATOM 1313 N ALA A 168 10.587 -3.195 9.375 1.00 16.91 N +ATOM 1314 CA ALA A 168 10.262 -4.618 9.438 1.00 17.80 C +ATOM 1315 C ALA A 168 11.580 -5.407 9.268 1.00 19.84 C +ATOM 1316 O ALA A 168 12.034 -6.015 10.239 1.00 20.16 O +ATOM 1317 CB ALA A 168 9.182 -5.047 8.487 1.00 15.78 C +ATOM 1318 N PHE A 169 12.173 -5.268 8.100 1.00 21.06 N +ATOM 1319 CA PHE A 169 13.429 -5.921 7.699 1.00 21.29 C +ATOM 1320 C PHE A 169 14.348 -4.960 6.975 1.00 22.35 C +ATOM 1321 O PHE A 169 13.921 -4.249 6.031 1.00 23.65 O +ATOM 1322 CB PHE A 169 13.124 -7.152 6.851 1.00 19.40 C +ATOM 1323 CG PHE A 169 12.281 -8.221 7.423 1.00 18.77 C +ATOM 1324 CD1 PHE A 169 12.868 -9.230 8.221 1.00 18.71 C +ATOM 1325 CD2 PHE A 169 10.922 -8.289 7.170 1.00 18.67 C +ATOM 1326 CE1 PHE A 169 12.092 -10.239 8.742 1.00 18.12 C +ATOM 1327 CE2 PHE A 169 10.118 -9.291 7.711 1.00 19.05 C +ATOM 1328 CZ PHE A 169 10.722 -10.297 8.497 1.00 18.92 C +ATOM 1329 N LYS A 170 15.592 -4.906 7.364 1.00 23.99 N +ATOM 1330 CA LYS A 170 16.561 -4.019 6.720 1.00 26.97 C +ATOM 1331 C LYS A 170 16.705 -4.361 5.241 1.00 29.79 C +ATOM 1332 O LYS A 170 16.936 -5.501 4.855 1.00 29.89 O +ATOM 1333 CB LYS A 170 17.900 -4.040 7.408 1.00 26.11 C +ATOM 1334 CG LYS A 170 18.896 -3.112 6.745 1.00 28.09 C +ATOM 1335 CD LYS A 170 18.415 -1.673 6.710 1.00 28.21 C +ATOM 1336 CE LYS A 170 19.250 -0.826 7.644 1.00 29.44 C +ATOM 1337 NZ LYS A 170 18.915 -1.212 9.027 1.00 29.99 N +ATOM 1338 N TYR A 171 16.533 -3.346 4.399 1.00 32.90 N +ATOM 1339 CA TYR A 171 16.642 -3.535 2.937 1.00 36.04 C +ATOM 1340 C TYR A 171 17.814 -2.677 2.469 1.00 39.48 C +ATOM 1341 O TYR A 171 17.921 -1.513 2.908 1.00 39.88 O +ATOM 1342 CB TYR A 171 15.356 -3.196 2.220 1.00 34.78 C +ATOM 1343 CG TYR A 171 15.336 -3.232 0.707 1.00 34.43 C +ATOM 1344 CD1 TYR A 171 15.934 -2.241 -0.048 1.00 34.21 C +ATOM 1345 CD2 TYR A 171 14.663 -4.241 0.018 1.00 34.87 C +ATOM 1346 CE1 TYR A 171 15.911 -2.257 -1.431 1.00 35.22 C +ATOM 1347 CE2 TYR A 171 14.579 -4.277 -1.366 1.00 35.73 C +ATOM 1348 CZ TYR A 171 15.223 -3.273 -2.087 1.00 36.09 C +ATOM 1349 OH TYR A 171 15.204 -3.252 -3.454 1.00 36.60 O +ATOM 1350 N GLU A 172 18.651 -3.275 1.622 1.00 44.47 N +ATOM 1351 CA GLU A 172 19.803 -2.475 1.148 1.00 49.21 C +ATOM 1352 C GLU A 172 20.406 -2.891 -0.155 1.00 49.97 C +ATOM 1353 O GLU A 172 21.601 -2.544 -0.389 1.00 51.76 O +ATOM 1354 CB GLU A 172 20.900 -2.445 2.244 1.00 51.46 C +ATOM 1355 CG GLU A 172 21.668 -1.116 2.323 1.00 55.40 C +ATOM 1356 CD GLU A 172 21.956 -0.545 3.676 1.00 57.33 C +ATOM 1357 OE1 GLU A 172 22.173 -1.434 4.536 1.00 58.65 O +ATOM 1358 OE2 GLU A 172 22.003 0.662 3.933 1.00 58.52 O +ATOM 1359 N ASN A 173 19.649 -3.535 -1.042 1.00 50.35 N +ATOM 1360 CA ASN A 173 20.230 -3.991 -2.319 1.00 50.40 C +ATOM 1361 C ASN A 173 19.275 -4.858 -3.117 1.00 49.22 C +ATOM 1362 O ASN A 173 19.756 -5.843 -3.744 1.00 50.26 O +ATOM 1363 CB ASN A 173 21.482 -4.860 -1.944 1.00 52.78 C +ATOM 1364 CG ASN A 173 21.017 -6.038 -1.069 1.00 54.80 C +ATOM 1365 OD1 ASN A 173 20.200 -5.872 -0.137 1.00 55.59 O +ATOM 1366 ND2 ASN A 173 21.517 -7.236 -1.389 1.00 55.58 N +ATOM 1367 N GLY A 174 18.002 -4.551 -3.095 1.00 47.20 N +ATOM 1368 CA GLY A 174 17.014 -5.383 -3.828 1.00 44.55 C +ATOM 1369 C GLY A 174 16.783 -6.664 -3.013 1.00 42.58 C +ATOM 1370 O GLY A 174 16.032 -7.571 -3.422 1.00 43.00 O +ATOM 1371 N LYS A 175 17.442 -6.641 -1.867 1.00 39.94 N +ATOM 1372 CA LYS A 175 17.446 -7.743 -0.910 1.00 37.51 C +ATOM 1373 C LYS A 175 17.264 -7.271 0.533 1.00 34.72 C +ATOM 1374 O LYS A 175 17.810 -6.286 1.035 1.00 32.35 O +ATOM 1375 CB LYS A 175 18.743 -8.540 -1.088 1.00 38.27 C +ATOM 1376 CG LYS A 175 19.082 -9.566 -0.043 1.00 40.52 C +ATOM 1377 CD LYS A 175 18.367 -10.882 -0.215 1.00 42.96 C +ATOM 1378 CE LYS A 175 18.861 -11.983 0.706 1.00 44.35 C +ATOM 1379 NZ LYS A 175 20.284 -12.314 0.440 1.00 44.31 N +ATOM 1380 N TYR A 176 16.453 -8.080 1.194 1.00 33.09 N +ATOM 1381 CA TYR A 176 16.069 -7.948 2.585 1.00 32.62 C +ATOM 1382 C TYR A 176 16.928 -8.869 3.468 1.00 33.52 C +ATOM 1383 O TYR A 176 16.982 -10.075 3.164 1.00 34.94 O +ATOM 1384 CB TYR A 176 14.578 -8.345 2.780 1.00 29.73 C +ATOM 1385 CG TYR A 176 13.617 -7.275 2.310 1.00 28.21 C +ATOM 1386 CD1 TYR A 176 13.479 -6.080 3.031 1.00 26.14 C +ATOM 1387 CD2 TYR A 176 12.863 -7.446 1.143 1.00 26.42 C +ATOM 1388 CE1 TYR A 176 12.581 -5.110 2.591 1.00 25.94 C +ATOM 1389 CE2 TYR A 176 11.999 -6.474 0.673 1.00 25.03 C +ATOM 1390 CZ TYR A 176 11.844 -5.307 1.425 1.00 25.69 C +ATOM 1391 OH TYR A 176 10.996 -4.338 0.953 1.00 24.31 O +ATOM 1392 N ASP A 177 17.515 -8.297 4.494 1.00 33.51 N +ATOM 1393 CA ASP A 177 18.320 -9.026 5.497 1.00 32.65 C +ATOM 1394 C ASP A 177 17.320 -9.471 6.579 1.00 33.06 C +ATOM 1395 O ASP A 177 16.930 -8.630 7.409 1.00 33.42 O +ATOM 1396 CB ASP A 177 19.444 -8.160 6.030 1.00 31.30 C +ATOM 1397 CG ASP A 177 20.195 -8.887 7.158 1.00 31.75 C +ATOM 1398 OD1 ASP A 177 19.849 -10.046 7.449 1.00 28.83 O +ATOM 1399 OD2 ASP A 177 21.102 -8.206 7.702 1.00 31.17 O +ATOM 1400 N ILE A 178 16.925 -10.726 6.554 1.00 32.64 N +ATOM 1401 CA ILE A 178 15.924 -11.219 7.493 1.00 34.13 C +ATOM 1402 C ILE A 178 16.331 -11.375 8.937 1.00 33.35 C +ATOM 1403 O ILE A 178 15.509 -11.781 9.794 1.00 33.56 O +ATOM 1404 CB ILE A 178 15.231 -12.481 6.874 1.00 36.18 C +ATOM 1405 CG1 ILE A 178 16.120 -13.737 7.079 1.00 37.48 C +ATOM 1406 CG2 ILE A 178 14.860 -12.258 5.383 1.00 36.92 C +ATOM 1407 CD1 ILE A 178 15.267 -15.047 7.179 1.00 37.41 C +ATOM 1408 N LYS A 179 17.554 -11.048 9.253 1.00 33.40 N +ATOM 1409 CA LYS A 179 18.085 -11.120 10.607 1.00 33.83 C +ATOM 1410 C LYS A 179 18.321 -9.699 11.111 1.00 33.07 C +ATOM 1411 O LYS A 179 18.887 -9.520 12.182 1.00 33.75 O +ATOM 1412 CB LYS A 179 19.330 -11.959 10.784 1.00 36.08 C +ATOM 1413 CG LYS A 179 19.075 -13.468 10.782 1.00 38.64 C +ATOM 1414 CD LYS A 179 18.759 -14.052 12.146 1.00 41.63 C +ATOM 1415 CE LYS A 179 17.299 -14.382 12.352 1.00 43.18 C +ATOM 1416 NZ LYS A 179 16.895 -15.638 11.672 1.00 43.84 N +ATOM 1417 N ASP A 180 17.874 -8.755 10.307 1.00 31.51 N +ATOM 1418 CA ASP A 180 17.942 -7.320 10.629 1.00 29.61 C +ATOM 1419 C ASP A 180 16.460 -6.878 10.661 1.00 28.20 C +ATOM 1420 O ASP A 180 15.842 -6.568 9.645 1.00 26.92 O +ATOM 1421 CB ASP A 180 18.838 -6.544 9.701 1.00 30.30 C +ATOM 1422 CG ASP A 180 19.377 -5.265 10.289 1.00 32.26 C +ATOM 1423 OD1 ASP A 180 19.007 -4.866 11.409 1.00 33.77 O +ATOM 1424 OD2 ASP A 180 20.228 -4.606 9.643 1.00 34.09 O +ATOM 1425 N VAL A 181 15.942 -6.992 11.853 1.00 27.89 N +ATOM 1426 CA VAL A 181 14.530 -6.658 12.200 1.00 26.79 C +ATOM 1427 C VAL A 181 14.542 -5.425 13.075 1.00 26.07 C +ATOM 1428 O VAL A 181 15.444 -5.324 13.946 1.00 25.59 O +ATOM 1429 CB VAL A 181 13.848 -7.890 12.813 1.00 26.44 C +ATOM 1430 CG1 VAL A 181 12.460 -7.608 13.345 1.00 25.18 C +ATOM 1431 CG2 VAL A 181 13.810 -8.997 11.757 1.00 26.79 C +ATOM 1432 N GLY A 182 13.602 -4.514 12.833 1.00 24.89 N +ATOM 1433 CA GLY A 182 13.562 -3.267 13.609 1.00 24.23 C +ATOM 1434 C GLY A 182 12.344 -2.984 14.458 1.00 24.46 C +ATOM 1435 O GLY A 182 11.861 -1.828 14.506 1.00 21.84 O +ATOM 1436 N VAL A 183 11.817 -3.986 15.154 1.00 25.37 N +ATOM 1437 CA VAL A 183 10.635 -3.773 15.987 1.00 27.16 C +ATOM 1438 C VAL A 183 10.995 -3.534 17.447 1.00 28.39 C +ATOM 1439 O VAL A 183 10.130 -3.075 18.211 1.00 28.59 O +ATOM 1440 CB VAL A 183 9.565 -4.859 15.760 1.00 26.62 C +ATOM 1441 CG1 VAL A 183 9.478 -5.308 14.313 1.00 26.36 C +ATOM 1442 CG2 VAL A 183 9.622 -5.985 16.727 1.00 26.86 C +ATOM 1443 N ASP A 184 12.234 -3.802 17.820 1.00 29.34 N +ATOM 1444 CA ASP A 184 12.638 -3.655 19.221 1.00 30.76 C +ATOM 1445 C ASP A 184 13.586 -2.516 19.431 1.00 29.86 C +ATOM 1446 O ASP A 184 14.121 -2.368 20.563 1.00 32.09 O +ATOM 1447 CB ASP A 184 13.210 -5.000 19.702 1.00 34.92 C +ATOM 1448 CG ASP A 184 13.551 -5.006 21.172 1.00 39.95 C +ATOM 1449 OD1 ASP A 184 12.914 -4.191 21.897 1.00 43.41 O +ATOM 1450 OD2 ASP A 184 14.440 -5.745 21.633 1.00 42.82 O +ATOM 1451 N ASN A 185 13.857 -1.727 18.415 1.00 28.38 N +ATOM 1452 CA ASN A 185 14.813 -0.604 18.665 1.00 26.79 C +ATOM 1453 C ASN A 185 14.115 0.518 19.455 1.00 26.26 C +ATOM 1454 O ASN A 185 12.923 0.498 19.786 1.00 25.59 O +ATOM 1455 CB ASN A 185 15.569 -0.248 17.423 1.00 26.35 C +ATOM 1456 CG ASN A 185 14.747 0.266 16.258 1.00 25.21 C +ATOM 1457 OD1 ASN A 185 13.754 0.958 16.474 1.00 24.07 O +ATOM 1458 ND2 ASN A 185 15.232 -0.066 15.075 1.00 24.38 N +ATOM 1459 N ALA A 186 14.929 1.496 19.810 1.00 24.85 N +ATOM 1460 CA ALA A 186 14.522 2.654 20.592 1.00 24.54 C +ATOM 1461 C ALA A 186 13.446 3.413 19.808 1.00 24.70 C +ATOM 1462 O ALA A 186 12.458 3.908 20.385 1.00 25.94 O +ATOM 1463 CB ALA A 186 15.750 3.502 20.873 1.00 23.63 C +ATOM 1464 N GLY A 187 13.639 3.425 18.505 1.00 23.83 N +ATOM 1465 CA GLY A 187 12.749 4.068 17.538 1.00 21.47 C +ATOM 1466 C GLY A 187 11.324 3.576 17.730 1.00 20.59 C +ATOM 1467 O GLY A 187 10.435 4.382 18.036 1.00 19.50 O +ATOM 1468 N ALA A 188 11.134 2.275 17.534 1.00 19.03 N +ATOM 1469 CA ALA A 188 9.839 1.624 17.674 1.00 17.39 C +ATOM 1470 C ALA A 188 9.322 1.785 19.107 1.00 18.21 C +ATOM 1471 O ALA A 188 8.126 1.950 19.355 1.00 16.91 O +ATOM 1472 CB ALA A 188 9.948 0.148 17.337 1.00 17.36 C +ATOM 1473 N LYS A 189 10.263 1.698 20.042 1.00 18.95 N +ATOM 1474 CA LYS A 189 9.951 1.843 21.459 1.00 20.84 C +ATOM 1475 C LYS A 189 9.377 3.243 21.713 1.00 20.74 C +ATOM 1476 O LYS A 189 8.346 3.352 22.408 1.00 21.86 O +ATOM 1477 CB LYS A 189 11.179 1.669 22.335 1.00 24.23 C +ATOM 1478 CG LYS A 189 10.958 0.781 23.548 1.00 29.09 C +ATOM 1479 CD LYS A 189 11.354 -0.671 23.278 1.00 31.68 C +ATOM 1480 CE LYS A 189 12.856 -0.875 23.266 1.00 33.18 C +ATOM 1481 NZ LYS A 189 13.539 0.312 23.853 1.00 34.01 N +ATOM 1482 N ALA A 190 10.029 4.263 21.171 1.00 19.77 N +ATOM 1483 CA ALA A 190 9.525 5.646 21.349 1.00 19.19 C +ATOM 1484 C ALA A 190 8.091 5.755 20.832 1.00 18.44 C +ATOM 1485 O ALA A 190 7.222 6.283 21.539 1.00 18.71 O +ATOM 1486 CB ALA A 190 10.425 6.691 20.737 1.00 17.71 C +ATOM 1487 N GLY A 191 7.825 5.263 19.646 1.00 17.24 N +ATOM 1488 CA GLY A 191 6.532 5.282 18.992 1.00 15.61 C +ATOM 1489 C GLY A 191 5.367 4.614 19.662 1.00 15.65 C +ATOM 1490 O GLY A 191 4.256 5.153 19.786 1.00 12.88 O +ATOM 1491 N LEU A 192 5.576 3.359 20.094 1.00 15.56 N +ATOM 1492 CA LEU A 192 4.583 2.547 20.775 1.00 15.55 C +ATOM 1493 C LEU A 192 4.279 3.167 22.137 1.00 14.85 C +ATOM 1494 O LEU A 192 3.154 3.123 22.587 1.00 14.73 O +ATOM 1495 CB LEU A 192 5.078 1.079 20.905 1.00 15.57 C +ATOM 1496 CG LEU A 192 4.066 0.105 21.448 1.00 17.18 C +ATOM 1497 CD1 LEU A 192 2.788 0.080 20.596 1.00 16.10 C +ATOM 1498 CD2 LEU A 192 4.574 -1.336 21.489 1.00 17.95 C +ATOM 1499 N THR A 193 5.303 3.692 22.755 1.00 16.89 N +ATOM 1500 CA THR A 193 5.147 4.350 24.061 1.00 18.99 C +ATOM 1501 C THR A 193 4.198 5.537 23.857 1.00 19.55 C +ATOM 1502 O THR A 193 3.265 5.671 24.635 1.00 22.12 O +ATOM 1503 CB THR A 193 6.461 4.828 24.737 1.00 19.96 C +ATOM 1504 OG1 THR A 193 7.236 3.659 25.090 1.00 20.48 O +ATOM 1505 CG2 THR A 193 6.212 5.719 25.988 1.00 22.45 C +ATOM 1506 N PHE A 194 4.478 6.338 22.845 1.00 19.50 N +ATOM 1507 CA PHE A 194 3.586 7.506 22.572 1.00 18.96 C +ATOM 1508 C PHE A 194 2.151 7.038 22.375 1.00 18.83 C +ATOM 1509 O PHE A 194 1.181 7.680 22.872 1.00 18.51 O +ATOM 1510 CB PHE A 194 4.091 8.335 21.394 1.00 19.76 C +ATOM 1511 CG PHE A 194 3.321 9.626 21.223 1.00 20.43 C +ATOM 1512 CD1 PHE A 194 3.707 10.753 21.937 1.00 21.47 C +ATOM 1513 CD2 PHE A 194 2.216 9.667 20.379 1.00 20.94 C +ATOM 1514 CE1 PHE A 194 2.975 11.950 21.789 1.00 22.96 C +ATOM 1515 CE2 PHE A 194 1.492 10.843 20.215 1.00 21.95 C +ATOM 1516 CZ PHE A 194 1.870 11.978 20.930 1.00 22.09 C +ATOM 1517 N LEU A 195 1.980 5.939 21.651 1.00 17.66 N +ATOM 1518 CA LEU A 195 0.647 5.405 21.380 1.00 17.44 C +ATOM 1519 C LEU A 195 -0.064 4.972 22.659 1.00 17.92 C +ATOM 1520 O LEU A 195 -1.256 5.237 22.853 1.00 16.60 O +ATOM 1521 CB LEU A 195 0.754 4.314 20.312 1.00 17.61 C +ATOM 1522 CG LEU A 195 -0.461 3.451 20.052 1.00 18.81 C +ATOM 1523 CD1 LEU A 195 -1.559 4.316 19.431 1.00 21.32 C +ATOM 1524 CD2 LEU A 195 -0.116 2.327 19.062 1.00 18.35 C +ATOM 1525 N VAL A 196 0.678 4.262 23.492 1.00 18.31 N +ATOM 1526 CA VAL A 196 0.171 3.716 24.748 1.00 18.00 C +ATOM 1527 C VAL A 196 -0.272 4.872 25.646 1.00 18.30 C +ATOM 1528 O VAL A 196 -1.361 4.725 26.212 1.00 18.71 O +ATOM 1529 CB VAL A 196 1.158 2.739 25.380 1.00 19.94 C +ATOM 1530 CG1 VAL A 196 0.740 2.320 26.798 1.00 19.22 C +ATOM 1531 CG2 VAL A 196 1.326 1.488 24.503 1.00 18.06 C +ATOM 1532 N ASP A 197 0.515 5.896 25.715 1.00 19.58 N +ATOM 1533 CA ASP A 197 0.245 7.107 26.500 1.00 23.20 C +ATOM 1534 C ASP A 197 -1.072 7.773 26.028 1.00 23.84 C +ATOM 1535 O ASP A 197 -1.724 8.468 26.828 1.00 24.40 O +ATOM 1536 CB ASP A 197 1.384 8.104 26.538 1.00 25.66 C +ATOM 1537 CG ASP A 197 2.572 7.720 27.388 1.00 30.57 C +ATOM 1538 OD1 ASP A 197 2.555 6.717 28.120 1.00 33.33 O +ATOM 1539 OD2 ASP A 197 3.596 8.449 27.340 1.00 32.79 O +ATOM 1540 N LEU A 198 -1.413 7.608 24.770 1.00 23.64 N +ATOM 1541 CA LEU A 198 -2.607 8.178 24.200 1.00 23.94 C +ATOM 1542 C LEU A 198 -3.830 7.500 24.796 1.00 24.01 C +ATOM 1543 O LEU A 198 -4.774 8.209 25.114 1.00 24.28 O +ATOM 1544 CB LEU A 198 -2.651 8.080 22.678 1.00 24.54 C +ATOM 1545 CG LEU A 198 -1.837 9.084 21.887 1.00 25.14 C +ATOM 1546 CD1 LEU A 198 -1.754 8.630 20.432 1.00 25.81 C +ATOM 1547 CD2 LEU A 198 -2.545 10.436 21.976 1.00 25.27 C +ATOM 1548 N ILE A 199 -3.743 6.184 24.856 1.00 24.14 N +ATOM 1549 CA ILE A 199 -4.823 5.354 25.347 1.00 25.03 C +ATOM 1550 C ILE A 199 -5.038 5.490 26.860 1.00 26.00 C +ATOM 1551 O ILE A 199 -6.189 5.532 27.299 1.00 25.25 O +ATOM 1552 CB ILE A 199 -4.661 3.860 24.920 1.00 24.36 C +ATOM 1553 CG1 ILE A 199 -4.545 3.732 23.390 1.00 24.42 C +ATOM 1554 CG2 ILE A 199 -5.849 2.993 25.449 1.00 25.31 C +ATOM 1555 CD1 ILE A 199 -4.134 2.300 22.905 1.00 23.39 C +ATOM 1556 N LYS A 200 -3.947 5.522 27.595 1.00 27.71 N +ATOM 1557 CA LYS A 200 -4.053 5.608 29.066 1.00 30.12 C +ATOM 1558 C LYS A 200 -4.475 6.998 29.520 1.00 30.61 C +ATOM 1559 O LYS A 200 -5.137 7.142 30.574 1.00 31.70 O +ATOM 1560 CB LYS A 200 -2.878 5.051 29.770 1.00 30.62 C +ATOM 1561 CG LYS A 200 -1.593 5.845 29.832 1.00 34.30 C +ATOM 1562 CD LYS A 200 -0.563 5.028 30.631 1.00 37.95 C +ATOM 1563 CE LYS A 200 0.806 5.678 30.663 1.00 40.14 C +ATOM 1564 NZ LYS A 200 1.788 4.823 29.902 1.00 42.09 N +ATOM 1565 N ASN A 201 -4.155 8.004 28.729 1.00 29.69 N +ATOM 1566 CA ASN A 201 -4.515 9.398 28.996 1.00 27.91 C +ATOM 1567 C ASN A 201 -5.893 9.719 28.383 1.00 26.86 C +ATOM 1568 O ASN A 201 -6.284 10.891 28.315 1.00 26.25 O +ATOM 1569 CB ASN A 201 -3.453 10.364 28.573 1.00 27.82 C +ATOM 1570 CG ASN A 201 -2.217 10.276 29.431 1.00 27.49 C +ATOM 1571 OD1 ASN A 201 -1.126 10.268 28.859 1.00 30.62 O +ATOM 1572 ND2 ASN A 201 -2.425 10.230 30.723 1.00 28.47 N +ATOM 1573 N LYS A 202 -6.537 8.680 27.966 1.00 25.76 N +ATOM 1574 CA LYS A 202 -7.864 8.653 27.435 1.00 26.75 C +ATOM 1575 C LYS A 202 -8.153 9.477 26.213 1.00 26.02 C +ATOM 1576 O LYS A 202 -9.336 9.722 25.917 1.00 26.47 O +ATOM 1577 CB LYS A 202 -8.870 8.952 28.579 1.00 29.12 C +ATOM 1578 CG LYS A 202 -8.869 7.782 29.613 1.00 29.69 C +ATOM 1579 CD LYS A 202 -9.566 6.573 29.012 1.00 34.06 C +ATOM 1580 CE LYS A 202 -8.760 5.435 28.468 1.00 35.49 C +ATOM 1581 NZ LYS A 202 -8.623 5.359 26.988 1.00 32.86 N +ATOM 1582 N HIS A 203 -7.128 9.804 25.462 1.00 25.13 N +ATOM 1583 CA HIS A 203 -7.234 10.556 24.212 1.00 24.08 C +ATOM 1584 C HIS A 203 -7.671 9.613 23.100 1.00 25.02 C +ATOM 1585 O HIS A 203 -8.065 10.094 22.039 1.00 26.32 O +ATOM 1586 CB HIS A 203 -5.931 11.219 23.748 1.00 21.66 C +ATOM 1587 CG HIS A 203 -5.525 12.278 24.710 1.00 19.73 C +ATOM 1588 ND1 HIS A 203 -4.349 12.321 25.385 1.00 20.47 N +ATOM 1589 CD2 HIS A 203 -6.238 13.353 25.119 1.00 19.78 C +ATOM 1590 CE1 HIS A 203 -4.314 13.393 26.169 1.00 19.81 C +ATOM 1591 NE2 HIS A 203 -5.459 14.036 26.008 1.00 21.23 N +ATOM 1592 N MET A 204 -7.603 8.355 23.421 1.00 26.30 N +ATOM 1593 CA MET A 204 -7.919 7.201 22.540 1.00 26.93 C +ATOM 1594 C MET A 204 -8.332 5.979 23.352 1.00 26.67 C +ATOM 1595 O MET A 204 -7.825 5.772 24.449 1.00 26.10 O +ATOM 1596 CB MET A 204 -6.585 6.988 21.788 1.00 26.96 C +ATOM 1597 CG MET A 204 -6.781 6.392 20.473 1.00 28.62 C +ATOM 1598 SD MET A 204 -5.625 7.132 19.223 1.00 29.02 S +ATOM 1599 CE MET A 204 -6.823 6.964 17.863 1.00 29.70 C +ATOM 1600 N ASN A 205 -9.255 5.191 22.874 1.00 27.75 N +ATOM 1601 CA ASN A 205 -9.803 3.963 23.415 1.00 28.54 C +ATOM 1602 C ASN A 205 -9.080 2.764 22.770 1.00 28.13 C +ATOM 1603 O ASN A 205 -8.978 2.717 21.541 1.00 26.56 O +ATOM 1604 CB ASN A 205 -11.298 3.761 23.156 1.00 31.75 C +ATOM 1605 CG ASN A 205 -12.157 4.566 24.112 1.00 35.31 C +ATOM 1606 OD1 ASN A 205 -12.439 5.739 23.802 1.00 38.29 O +ATOM 1607 ND2 ASN A 205 -12.527 3.955 25.230 1.00 37.63 N +ATOM 1608 N ALA A 206 -8.701 1.831 23.637 1.00 27.72 N +ATOM 1609 CA ALA A 206 -7.964 0.658 23.134 1.00 27.13 C +ATOM 1610 C ALA A 206 -8.785 -0.242 22.254 1.00 26.67 C +ATOM 1611 O ALA A 206 -8.216 -1.097 21.547 1.00 27.91 O +ATOM 1612 CB ALA A 206 -7.305 -0.088 24.271 1.00 27.16 C +ATOM 1613 N ASP A 207 -10.097 -0.093 22.234 1.00 26.81 N +ATOM 1614 CA ASP A 207 -10.927 -0.983 21.410 1.00 26.50 C +ATOM 1615 C ASP A 207 -11.391 -0.397 20.089 1.00 24.09 C +ATOM 1616 O ASP A 207 -12.241 -1.015 19.449 1.00 22.02 O +ATOM 1617 CB ASP A 207 -12.051 -1.559 22.268 1.00 30.17 C +ATOM 1618 CG ASP A 207 -13.135 -0.571 22.615 1.00 33.03 C +ATOM 1619 OD1 ASP A 207 -12.917 0.604 22.965 1.00 35.15 O +ATOM 1620 OD2 ASP A 207 -14.297 -1.038 22.521 1.00 35.71 O +ATOM 1621 N THR A 208 -10.811 0.711 19.687 1.00 22.68 N +ATOM 1622 CA THR A 208 -11.185 1.331 18.388 1.00 21.08 C +ATOM 1623 C THR A 208 -10.696 0.454 17.228 1.00 19.11 C +ATOM 1624 O THR A 208 -9.514 0.168 17.094 1.00 18.04 O +ATOM 1625 CB THR A 208 -10.642 2.818 18.308 1.00 20.07 C +ATOM 1626 OG1 THR A 208 -11.117 3.499 19.506 1.00 18.62 O +ATOM 1627 CG2 THR A 208 -11.098 3.560 17.044 1.00 19.58 C +ATOM 1628 N ASP A 209 -11.609 0.028 16.401 1.00 18.88 N +ATOM 1629 CA ASP A 209 -11.328 -0.801 15.229 1.00 18.71 C +ATOM 1630 C ASP A 209 -11.635 -0.003 13.967 1.00 17.98 C +ATOM 1631 O ASP A 209 -11.856 1.209 14.043 1.00 18.33 O +ATOM 1632 CB ASP A 209 -12.010 -2.148 15.278 1.00 21.00 C +ATOM 1633 CG ASP A 209 -13.508 -2.096 15.370 1.00 22.77 C +ATOM 1634 OD1 ASP A 209 -14.076 -1.021 15.114 1.00 25.04 O +ATOM 1635 OD2 ASP A 209 -14.180 -3.076 15.692 1.00 26.54 O +ATOM 1636 N TYR A 210 -11.659 -0.682 12.840 1.00 16.94 N +ATOM 1637 CA TYR A 210 -11.904 -0.069 11.534 1.00 15.78 C +ATOM 1638 C TYR A 210 -13.281 0.580 11.437 1.00 15.91 C +ATOM 1639 O TYR A 210 -13.385 1.724 10.999 1.00 14.92 O +ATOM 1640 CB TYR A 210 -11.679 -1.028 10.371 1.00 13.93 C +ATOM 1641 CG TYR A 210 -11.654 -0.375 9.005 1.00 13.30 C +ATOM 1642 CD1 TYR A 210 -10.473 0.114 8.470 1.00 12.88 C +ATOM 1643 CD2 TYR A 210 -12.823 -0.239 8.244 1.00 13.39 C +ATOM 1644 CE1 TYR A 210 -10.448 0.706 7.203 1.00 12.97 C +ATOM 1645 CE2 TYR A 210 -12.806 0.380 6.995 1.00 13.10 C +ATOM 1646 CZ TYR A 210 -11.609 0.843 6.470 1.00 11.84 C +ATOM 1647 OH TYR A 210 -11.548 1.438 5.270 1.00 13.43 O +ATOM 1648 N SER A 211 -14.276 -0.178 11.798 1.00 17.20 N +ATOM 1649 CA SER A 211 -15.659 0.218 11.770 1.00 19.75 C +ATOM 1650 C SER A 211 -15.985 1.399 12.679 1.00 20.33 C +ATOM 1651 O SER A 211 -16.726 2.285 12.253 1.00 21.55 O +ATOM 1652 CB SER A 211 -16.560 -0.957 12.134 1.00 22.40 C +ATOM 1653 OG SER A 211 -16.514 -1.883 11.052 1.00 29.57 O +ATOM 1654 N ILE A 212 -15.491 1.344 13.886 1.00 20.28 N +ATOM 1655 CA ILE A 212 -15.719 2.371 14.890 1.00 20.40 C +ATOM 1656 C ILE A 212 -15.105 3.694 14.454 1.00 20.05 C +ATOM 1657 O ILE A 212 -15.828 4.708 14.547 1.00 20.90 O +ATOM 1658 CB ILE A 212 -15.229 1.939 16.309 1.00 21.44 C +ATOM 1659 CG1 ILE A 212 -16.168 0.826 16.857 1.00 22.27 C +ATOM 1660 CG2 ILE A 212 -15.036 3.089 17.330 1.00 20.55 C +ATOM 1661 CD1 ILE A 212 -15.672 0.237 18.221 1.00 22.87 C +ATOM 1662 N ALA A 213 -13.847 3.729 14.061 1.00 17.66 N +ATOM 1663 CA ALA A 213 -13.215 4.990 13.658 1.00 16.04 C +ATOM 1664 C ALA A 213 -13.864 5.609 12.425 1.00 16.20 C +ATOM 1665 O ALA A 213 -13.929 6.849 12.274 1.00 16.81 O +ATOM 1666 CB ALA A 213 -11.731 4.798 13.474 1.00 14.50 C +ATOM 1667 N GLU A 214 -14.267 4.765 11.514 1.00 15.92 N +ATOM 1668 CA GLU A 214 -14.871 5.130 10.270 1.00 17.90 C +ATOM 1669 C GLU A 214 -16.245 5.798 10.479 1.00 18.84 C +ATOM 1670 O GLU A 214 -16.514 6.792 9.824 1.00 19.35 O +ATOM 1671 CB GLU A 214 -15.170 3.959 9.326 1.00 18.19 C +ATOM 1672 CG GLU A 214 -15.402 4.376 7.876 1.00 20.89 C +ATOM 1673 CD GLU A 214 -15.880 3.250 6.994 1.00 22.89 C +ATOM 1674 OE1 GLU A 214 -16.446 2.281 7.416 1.00 23.94 O +ATOM 1675 OE2 GLU A 214 -15.571 3.421 5.800 1.00 26.56 O +ATOM 1676 N ALA A 215 -17.050 5.218 11.316 1.00 18.47 N +ATOM 1677 CA ALA A 215 -18.390 5.713 11.622 1.00 17.70 C +ATOM 1678 C ALA A 215 -18.252 7.050 12.356 1.00 17.27 C +ATOM 1679 O ALA A 215 -19.051 7.965 12.052 1.00 17.64 O +ATOM 1680 CB ALA A 215 -19.176 4.710 12.421 1.00 17.64 C +ATOM 1681 N ALA A 216 -17.287 7.122 13.218 1.00 15.71 N +ATOM 1682 CA ALA A 216 -17.006 8.299 14.031 1.00 15.25 C +ATOM 1683 C ALA A 216 -16.620 9.486 13.179 1.00 14.88 C +ATOM 1684 O ALA A 216 -17.123 10.617 13.402 1.00 14.32 O +ATOM 1685 CB ALA A 216 -16.032 7.987 15.150 1.00 14.26 C +ATOM 1686 N PHE A 217 -15.712 9.255 12.229 1.00 14.13 N +ATOM 1687 CA PHE A 217 -15.310 10.331 11.316 1.00 13.17 C +ATOM 1688 C PHE A 217 -16.492 10.751 10.425 1.00 13.17 C +ATOM 1689 O PHE A 217 -16.695 11.955 10.167 1.00 14.91 O +ATOM 1690 CB PHE A 217 -14.140 9.903 10.397 1.00 14.03 C +ATOM 1691 CG PHE A 217 -13.599 11.099 9.653 1.00 11.92 C +ATOM 1692 CD1 PHE A 217 -12.812 12.047 10.280 1.00 8.72 C +ATOM 1693 CD2 PHE A 217 -13.942 11.244 8.294 1.00 12.51 C +ATOM 1694 CE1 PHE A 217 -12.359 13.145 9.611 1.00 8.35 C +ATOM 1695 CE2 PHE A 217 -13.447 12.342 7.589 1.00 10.76 C +ATOM 1696 CZ PHE A 217 -12.664 13.278 8.253 1.00 8.61 C +ATOM 1697 N ASN A 218 -17.213 9.802 9.916 1.00 13.25 N +ATOM 1698 CA ASN A 218 -18.334 10.007 9.018 1.00 15.13 C +ATOM 1699 C ASN A 218 -19.547 10.652 9.670 1.00 16.55 C +ATOM 1700 O ASN A 218 -20.390 11.243 8.957 1.00 17.27 O +ATOM 1701 CB ASN A 218 -18.596 8.769 8.202 1.00 16.37 C +ATOM 1702 CG ASN A 218 -17.491 8.385 7.214 1.00 17.31 C +ATOM 1703 OD1 ASN A 218 -17.658 7.342 6.551 1.00 20.49 O +ATOM 1704 ND2 ASN A 218 -16.394 9.083 7.091 1.00 17.07 N +ATOM 1705 N LYS A 219 -19.644 10.596 10.966 1.00 17.40 N +ATOM 1706 CA LYS A 219 -20.699 11.199 11.764 1.00 17.52 C +ATOM 1707 C LYS A 219 -20.274 12.549 12.305 1.00 18.41 C +ATOM 1708 O LYS A 219 -20.989 13.230 13.062 1.00 19.19 O +ATOM 1709 CB LYS A 219 -21.144 10.287 12.923 1.00 17.67 C +ATOM 1710 CG LYS A 219 -22.020 9.170 12.364 1.00 19.09 C +ATOM 1711 CD LYS A 219 -22.589 8.227 13.374 1.00 22.26 C +ATOM 1712 CE LYS A 219 -21.593 7.609 14.301 1.00 23.69 C +ATOM 1713 NZ LYS A 219 -22.150 7.188 15.603 1.00 23.85 N +ATOM 1714 N GLY A 220 -19.089 12.974 11.915 1.00 18.43 N +ATOM 1715 CA GLY A 220 -18.515 14.251 12.351 1.00 18.89 C +ATOM 1716 C GLY A 220 -18.214 14.322 13.822 1.00 19.15 C +ATOM 1717 O GLY A 220 -18.041 15.423 14.372 1.00 18.82 O +ATOM 1718 N GLU A 221 -18.107 13.171 14.484 1.00 18.90 N +ATOM 1719 CA GLU A 221 -17.800 13.104 15.914 1.00 17.37 C +ATOM 1720 C GLU A 221 -16.333 13.287 16.219 1.00 16.08 C +ATOM 1721 O GLU A 221 -15.951 13.776 17.281 1.00 16.54 O +ATOM 1722 CB GLU A 221 -18.241 11.799 16.554 1.00 18.30 C +ATOM 1723 CG GLU A 221 -19.672 11.375 16.238 1.00 22.53 C +ATOM 1724 CD GLU A 221 -20.066 10.019 16.774 1.00 26.02 C +ATOM 1725 OE1 GLU A 221 -19.293 9.118 17.058 1.00 26.16 O +ATOM 1726 OE2 GLU A 221 -21.318 9.937 16.812 1.00 28.51 O +ATOM 1727 N THR A 222 -15.449 12.929 15.305 1.00 14.69 N +ATOM 1728 CA THR A 222 -14.011 13.060 15.524 1.00 12.32 C +ATOM 1729 C THR A 222 -13.403 13.919 14.428 1.00 12.04 C +ATOM 1730 O THR A 222 -13.867 13.828 13.286 1.00 14.34 O +ATOM 1731 CB THR A 222 -13.418 11.586 15.627 1.00 11.24 C +ATOM 1732 OG1 THR A 222 -12.059 11.801 16.129 1.00 12.42 O +ATOM 1733 CG2 THR A 222 -13.414 10.881 14.290 1.00 9.90 C +ATOM 1734 N ALA A 223 -12.370 14.694 14.708 1.00 10.91 N +ATOM 1735 CA ALA A 223 -11.787 15.580 13.733 1.00 11.93 C +ATOM 1736 C ALA A 223 -10.888 14.929 12.670 1.00 12.53 C +ATOM 1737 O ALA A 223 -10.796 15.484 11.570 1.00 12.71 O +ATOM 1738 CB ALA A 223 -10.997 16.721 14.356 1.00 11.93 C +ATOM 1739 N MET A 224 -10.250 13.847 13.024 1.00 11.85 N +ATOM 1740 CA MET A 224 -9.305 13.191 12.096 1.00 10.36 C +ATOM 1741 C MET A 224 -9.464 11.674 12.163 1.00 11.34 C +ATOM 1742 O MET A 224 -9.943 11.133 13.150 1.00 12.37 O +ATOM 1743 CB MET A 224 -7.894 13.570 12.513 1.00 9.53 C +ATOM 1744 CG MET A 224 -7.622 15.011 12.530 1.00 10.70 C +ATOM 1745 SD MET A 224 -5.935 15.456 12.932 1.00 12.87 S +ATOM 1746 CE MET A 224 -5.855 15.373 14.708 1.00 12.23 C +ATOM 1747 N THR A 225 -8.905 11.063 11.141 1.00 10.21 N +ATOM 1748 CA THR A 225 -8.802 9.633 10.937 1.00 9.87 C +ATOM 1749 C THR A 225 -7.577 9.360 10.057 1.00 9.35 C +ATOM 1750 O THR A 225 -6.938 10.252 9.542 1.00 8.84 O +ATOM 1751 CB THR A 225 -10.108 8.979 10.437 1.00 9.68 C +ATOM 1752 OG1 THR A 225 -10.017 7.574 10.832 1.00 10.00 O +ATOM 1753 CG2 THR A 225 -10.451 9.043 8.964 1.00 9.55 C +ATOM 1754 N ILE A 226 -7.171 8.089 10.081 1.00 11.69 N +ATOM 1755 CA ILE A 226 -6.021 7.589 9.276 1.00 9.40 C +ATOM 1756 C ILE A 226 -6.605 6.501 8.421 1.00 8.83 C +ATOM 1757 O ILE A 226 -7.167 5.540 8.985 1.00 8.98 O +ATOM 1758 CB ILE A 226 -4.795 7.171 10.125 1.00 9.39 C +ATOM 1759 CG1 ILE A 226 -4.296 8.401 10.873 1.00 6.44 C +ATOM 1760 CG2 ILE A 226 -3.624 6.630 9.226 1.00 8.90 C +ATOM 1761 CD1 ILE A 226 -3.021 8.125 11.681 1.00 8.46 C +ATOM 1762 N ASN A 227 -6.588 6.722 7.100 1.00 8.04 N +ATOM 1763 CA ASN A 227 -7.185 5.730 6.208 1.00 7.73 C +ATOM 1764 C ASN A 227 -6.558 5.900 4.806 1.00 7.74 C +ATOM 1765 O ASN A 227 -5.712 6.778 4.615 1.00 7.33 O +ATOM 1766 CB ASN A 227 -8.715 5.743 6.258 1.00 10.16 C +ATOM 1767 CG ASN A 227 -9.325 4.359 6.279 1.00 10.87 C +ATOM 1768 OD1 ASN A 227 -8.737 3.406 5.709 1.00 12.34 O +ATOM 1769 ND2 ASN A 227 -10.447 4.200 6.938 1.00 13.11 N +ATOM 1770 N GLY A 228 -6.948 5.012 3.936 1.00 9.23 N +ATOM 1771 CA GLY A 228 -6.387 4.953 2.574 1.00 10.70 C +ATOM 1772 C GLY A 228 -7.418 5.334 1.550 1.00 10.95 C +ATOM 1773 O GLY A 228 -8.568 5.547 1.927 1.00 10.82 O +ATOM 1774 N PRO A 229 -6.988 5.318 0.277 1.00 12.61 N +ATOM 1775 CA PRO A 229 -7.832 5.732 -0.847 1.00 12.76 C +ATOM 1776 C PRO A 229 -9.088 4.974 -0.997 1.00 13.96 C +ATOM 1777 O PRO A 229 -10.121 5.472 -1.518 1.00 16.10 O +ATOM 1778 CB PRO A 229 -6.923 5.740 -2.058 1.00 12.55 C +ATOM 1779 CG PRO A 229 -5.533 5.830 -1.485 1.00 12.50 C +ATOM 1780 CD PRO A 229 -5.609 5.089 -0.162 1.00 11.91 C +ATOM 1781 N TRP A 230 -9.103 3.720 -0.526 1.00 14.04 N +ATOM 1782 CA TRP A 230 -10.313 2.929 -0.591 1.00 14.05 C +ATOM 1783 C TRP A 230 -11.456 3.483 0.250 1.00 15.33 C +ATOM 1784 O TRP A 230 -12.626 3.056 0.069 1.00 16.54 O +ATOM 1785 CB TRP A 230 -9.927 1.479 -0.184 1.00 15.28 C +ATOM 1786 CG TRP A 230 -9.402 1.444 1.219 1.00 13.83 C +ATOM 1787 CD1 TRP A 230 -10.136 1.427 2.380 1.00 12.60 C +ATOM 1788 CD2 TRP A 230 -8.019 1.462 1.591 1.00 13.57 C +ATOM 1789 NE1 TRP A 230 -9.287 1.462 3.436 1.00 15.21 N +ATOM 1790 CE2 TRP A 230 -7.981 1.459 2.997 1.00 13.36 C +ATOM 1791 CE3 TRP A 230 -6.825 1.480 0.865 1.00 11.85 C +ATOM 1792 CZ2 TRP A 230 -6.788 1.470 3.716 1.00 12.12 C +ATOM 1793 CZ3 TRP A 230 -5.649 1.516 1.588 1.00 12.17 C +ATOM 1794 CH2 TRP A 230 -5.629 1.539 2.974 1.00 11.54 C +ATOM 1795 N ALA A 231 -11.187 4.343 1.205 1.00 15.92 N +ATOM 1796 CA ALA A 231 -12.157 4.909 2.127 1.00 16.41 C +ATOM 1797 C ALA A 231 -12.855 6.186 1.651 1.00 15.93 C +ATOM 1798 O ALA A 231 -13.923 6.505 2.228 1.00 17.29 O +ATOM 1799 CB ALA A 231 -11.439 5.239 3.456 1.00 15.63 C +ATOM 1800 N TRP A 232 -12.306 6.848 0.683 1.00 15.86 N +ATOM 1801 CA TRP A 232 -12.808 8.089 0.120 1.00 16.35 C +ATOM 1802 C TRP A 232 -14.262 8.002 -0.290 1.00 19.92 C +ATOM 1803 O TRP A 232 -15.005 8.911 0.176 1.00 20.77 O +ATOM 1804 CB TRP A 232 -11.927 8.653 -0.958 1.00 12.21 C +ATOM 1805 CG TRP A 232 -10.517 8.843 -0.525 1.00 12.42 C +ATOM 1806 CD1 TRP A 232 -10.003 8.846 0.731 1.00 11.43 C +ATOM 1807 CD2 TRP A 232 -9.382 9.084 -1.388 1.00 11.92 C +ATOM 1808 NE1 TRP A 232 -8.677 9.116 0.727 1.00 11.22 N +ATOM 1809 CE2 TRP A 232 -8.252 9.207 -0.575 1.00 12.03 C +ATOM 1810 CE3 TRP A 232 -9.268 9.188 -2.780 1.00 11.83 C +ATOM 1811 CZ2 TRP A 232 -6.990 9.495 -1.084 1.00 11.49 C +ATOM 1812 CZ3 TRP A 232 -8.011 9.400 -3.269 1.00 11.59 C +ATOM 1813 CH2 TRP A 232 -6.909 9.547 -2.484 1.00 11.27 C +ATOM 1814 N SER A 233 -14.687 7.031 -1.045 1.00 21.98 N +ATOM 1815 CA SER A 233 -16.085 6.943 -1.494 1.00 25.35 C +ATOM 1816 C SER A 233 -17.122 6.986 -0.374 1.00 25.94 C +ATOM 1817 O SER A 233 -18.270 7.466 -0.573 1.00 25.67 O +ATOM 1818 CB SER A 233 -16.310 5.809 -2.476 1.00 26.97 C +ATOM 1819 OG SER A 233 -15.766 4.564 -2.074 1.00 30.61 O +ATOM 1820 N ASN A 234 -16.780 6.511 0.800 1.00 26.63 N +ATOM 1821 CA ASN A 234 -17.607 6.445 1.993 1.00 26.39 C +ATOM 1822 C ASN A 234 -17.743 7.823 2.650 1.00 24.58 C +ATOM 1823 O ASN A 234 -18.810 8.051 3.202 1.00 25.08 O +ATOM 1824 CB ASN A 234 -17.127 5.427 3.006 1.00 29.53 C +ATOM 1825 CG ASN A 234 -17.242 3.981 2.618 1.00 32.59 C +ATOM 1826 OD1 ASN A 234 -18.024 3.282 3.265 1.00 33.42 O +ATOM 1827 ND2 ASN A 234 -16.451 3.542 1.611 1.00 35.70 N +ATOM 1828 N ILE A 235 -16.708 8.613 2.619 1.00 23.21 N +ATOM 1829 CA ILE A 235 -16.672 9.947 3.200 1.00 22.44 C +ATOM 1830 C ILE A 235 -17.503 10.917 2.364 1.00 23.95 C +ATOM 1831 O ILE A 235 -18.264 11.715 2.900 1.00 25.14 O +ATOM 1832 CB ILE A 235 -15.212 10.470 3.441 1.00 19.78 C +ATOM 1833 CG1 ILE A 235 -14.355 9.397 4.151 1.00 17.10 C +ATOM 1834 CG2 ILE A 235 -15.264 11.801 4.251 1.00 19.49 C +ATOM 1835 CD1 ILE A 235 -12.829 9.651 4.115 1.00 13.67 C +ATOM 1836 N ASP A 236 -17.368 10.799 1.057 1.00 25.72 N +ATOM 1837 CA ASP A 236 -18.090 11.582 0.060 1.00 26.92 C +ATOM 1838 C ASP A 236 -19.585 11.511 0.425 1.00 28.03 C +ATOM 1839 O ASP A 236 -20.253 12.529 0.596 1.00 29.42 O +ATOM 1840 CB ASP A 236 -17.844 11.065 -1.342 1.00 27.04 C +ATOM 1841 CG ASP A 236 -16.413 11.040 -1.776 1.00 28.89 C +ATOM 1842 OD1 ASP A 236 -15.645 11.962 -1.430 1.00 28.16 O +ATOM 1843 OD2 ASP A 236 -16.061 10.060 -2.483 1.00 31.28 O +ATOM 1844 N THR A 237 -20.083 10.309 0.515 1.00 28.38 N +ATOM 1845 CA THR A 237 -21.442 9.964 0.860 1.00 29.75 C +ATOM 1846 C THR A 237 -21.917 10.653 2.147 1.00 31.03 C +ATOM 1847 O THR A 237 -23.057 11.184 2.252 1.00 30.98 O +ATOM 1848 CB THR A 237 -21.537 8.389 0.995 1.00 29.82 C +ATOM 1849 OG1 THR A 237 -21.215 7.885 -0.329 1.00 30.27 O +ATOM 1850 CG2 THR A 237 -22.882 7.864 1.461 1.00 31.88 C +ATOM 1851 N SER A 238 -21.024 10.618 3.113 1.00 30.85 N +ATOM 1852 CA SER A 238 -21.225 11.150 4.450 1.00 31.83 C +ATOM 1853 C SER A 238 -21.544 12.637 4.415 1.00 33.02 C +ATOM 1854 O SER A 238 -22.288 13.143 5.284 1.00 34.62 O +ATOM 1855 CB SER A 238 -20.040 10.823 5.352 1.00 31.02 C +ATOM 1856 OG SER A 238 -18.952 11.716 5.170 1.00 30.06 O +ATOM 1857 N LYS A 239 -20.989 13.341 3.460 1.00 33.62 N +ATOM 1858 CA LYS A 239 -21.177 14.783 3.297 1.00 34.33 C +ATOM 1859 C LYS A 239 -20.299 15.612 4.231 1.00 32.93 C +ATOM 1860 O LYS A 239 -20.564 16.804 4.486 1.00 34.29 O +ATOM 1861 CB LYS A 239 -22.636 15.215 3.404 1.00 36.40 C +ATOM 1862 CG LYS A 239 -23.314 15.424 2.055 1.00 39.39 C +ATOM 1863 CD LYS A 239 -23.484 14.134 1.264 1.00 42.31 C +ATOM 1864 CE LYS A 239 -23.677 14.410 -0.233 1.00 43.20 C +ATOM 1865 NZ LYS A 239 -22.796 15.562 -0.596 1.00 44.09 N +ATOM 1866 N VAL A 240 -19.239 15.002 4.724 1.00 29.31 N +ATOM 1867 CA VAL A 240 -18.258 15.651 5.589 1.00 25.46 C +ATOM 1868 C VAL A 240 -17.353 16.425 4.616 1.00 23.89 C +ATOM 1869 O VAL A 240 -17.088 15.922 3.519 1.00 23.32 O +ATOM 1870 CB VAL A 240 -17.504 14.599 6.441 1.00 24.48 C +ATOM 1871 CG1 VAL A 240 -16.282 15.156 7.136 1.00 22.88 C +ATOM 1872 CG2 VAL A 240 -18.398 13.928 7.457 1.00 23.31 C +ATOM 1873 N ASN A 241 -16.945 17.596 5.021 1.00 22.56 N +ATOM 1874 CA ASN A 241 -16.054 18.465 4.245 1.00 21.94 C +ATOM 1875 C ASN A 241 -14.629 18.116 4.740 1.00 19.28 C +ATOM 1876 O ASN A 241 -14.119 18.703 5.689 1.00 17.76 O +ATOM 1877 CB ASN A 241 -16.408 19.932 4.325 1.00 24.22 C +ATOM 1878 CG ASN A 241 -15.468 20.826 3.548 1.00 27.64 C +ATOM 1879 OD1 ASN A 241 -15.113 20.534 2.381 1.00 29.45 O +ATOM 1880 ND2 ASN A 241 -15.072 21.940 4.179 1.00 29.26 N +ATOM 1881 N TYR A 242 -14.119 17.131 4.002 1.00 17.15 N +ATOM 1882 CA TYR A 242 -12.791 16.561 4.359 1.00 14.72 C +ATOM 1883 C TYR A 242 -11.637 16.945 3.499 1.00 13.92 C +ATOM 1884 O TYR A 242 -11.831 17.311 2.328 1.00 15.89 O +ATOM 1885 CB TYR A 242 -12.990 15.038 4.372 1.00 13.22 C +ATOM 1886 CG TYR A 242 -12.971 14.285 3.076 1.00 15.26 C +ATOM 1887 CD1 TYR A 242 -14.153 14.100 2.351 1.00 13.25 C +ATOM 1888 CD2 TYR A 242 -11.783 13.722 2.548 1.00 15.09 C +ATOM 1889 CE1 TYR A 242 -14.175 13.375 1.198 1.00 16.85 C +ATOM 1890 CE2 TYR A 242 -11.811 12.995 1.356 1.00 17.03 C +ATOM 1891 CZ TYR A 242 -13.004 12.810 0.684 1.00 18.27 C +ATOM 1892 OH TYR A 242 -13.115 12.113 -0.508 1.00 18.74 O +ATOM 1893 N GLY A 243 -10.429 16.793 3.983 1.00 12.16 N +ATOM 1894 CA GLY A 243 -9.162 17.041 3.314 1.00 11.08 C +ATOM 1895 C GLY A 243 -8.257 15.788 3.656 1.00 12.41 C +ATOM 1896 O GLY A 243 -8.526 15.155 4.667 1.00 11.63 O +ATOM 1897 N VAL A 244 -7.338 15.551 2.779 1.00 12.82 N +ATOM 1898 CA VAL A 244 -6.340 14.459 2.824 1.00 12.02 C +ATOM 1899 C VAL A 244 -4.995 15.112 2.833 1.00 11.50 C +ATOM 1900 O VAL A 244 -4.748 15.992 1.946 1.00 13.55 O +ATOM 1901 CB VAL A 244 -6.538 13.455 1.676 1.00 12.66 C +ATOM 1902 CG1 VAL A 244 -5.582 12.253 1.765 1.00 11.92 C +ATOM 1903 CG2 VAL A 244 -7.972 12.975 1.534 1.00 12.52 C +ATOM 1904 N THR A 245 -4.130 14.779 3.777 1.00 10.05 N +ATOM 1905 CA THR A 245 -2.828 15.458 3.819 1.00 10.13 C +ATOM 1906 C THR A 245 -1.703 14.546 4.311 1.00 10.45 C +ATOM 1907 O THR A 245 -1.947 13.369 4.634 1.00 12.34 O +ATOM 1908 CB THR A 245 -2.978 16.772 4.681 1.00 9.42 C +ATOM 1909 OG1 THR A 245 -1.755 17.534 4.593 1.00 12.33 O +ATOM 1910 CG2 THR A 245 -3.249 16.503 6.187 1.00 9.79 C +ATOM 1911 N VAL A 246 -0.524 15.074 4.408 1.00 11.00 N +ATOM 1912 CA VAL A 246 0.632 14.323 4.918 1.00 12.51 C +ATOM 1913 C VAL A 246 0.398 13.944 6.386 1.00 12.90 C +ATOM 1914 O VAL A 246 -0.118 14.748 7.167 1.00 13.41 O +ATOM 1915 CB VAL A 246 1.918 15.087 4.673 1.00 13.64 C +ATOM 1916 CG1 VAL A 246 2.050 16.372 5.521 1.00 15.34 C +ATOM 1917 CG2 VAL A 246 3.162 14.227 4.937 1.00 13.68 C +ATOM 1918 N LEU A 247 0.787 12.727 6.768 1.00 12.13 N +ATOM 1919 CA LEU A 247 0.687 12.275 8.165 1.00 11.52 C +ATOM 1920 C LEU A 247 1.590 13.162 9.016 1.00 10.55 C +ATOM 1921 O LEU A 247 2.606 13.716 8.558 1.00 11.18 O +ATOM 1922 CB LEU A 247 1.187 10.797 8.230 1.00 10.11 C +ATOM 1923 CG LEU A 247 0.286 9.781 7.581 1.00 11.25 C +ATOM 1924 CD1 LEU A 247 1.057 8.462 7.421 1.00 10.31 C +ATOM 1925 CD2 LEU A 247 -0.960 9.600 8.439 1.00 9.83 C +ATOM 1926 N PRO A 248 1.296 13.224 10.313 1.00 11.07 N +ATOM 1927 CA PRO A 248 2.071 14.035 11.225 1.00 11.70 C +ATOM 1928 C PRO A 248 3.468 13.451 11.461 1.00 13.03 C +ATOM 1929 O PRO A 248 3.643 12.240 11.282 1.00 14.00 O +ATOM 1930 CB PRO A 248 1.217 14.081 12.511 1.00 9.62 C +ATOM 1931 CG PRO A 248 -0.075 13.427 12.214 1.00 10.74 C +ATOM 1932 CD PRO A 248 0.122 12.577 10.945 1.00 9.70 C +ATOM 1933 N THR A 249 4.408 14.276 11.864 1.00 13.82 N +ATOM 1934 CA THR A 249 5.759 13.845 12.185 1.00 13.87 C +ATOM 1935 C THR A 249 5.798 13.420 13.648 1.00 14.80 C +ATOM 1936 O THR A 249 4.891 13.737 14.403 1.00 14.70 O +ATOM 1937 CB THR A 249 6.861 14.930 11.911 1.00 12.52 C +ATOM 1938 OG1 THR A 249 6.561 16.054 12.803 1.00 13.82 O +ATOM 1939 CG2 THR A 249 6.965 15.353 10.455 1.00 13.20 C +ATOM 1940 N PHE A 250 6.805 12.636 14.015 1.00 16.01 N +ATOM 1941 CA PHE A 250 6.990 12.197 15.412 1.00 16.02 C +ATOM 1942 C PHE A 250 8.508 12.314 15.680 1.00 17.32 C +ATOM 1943 O PHE A 250 9.333 11.816 14.909 1.00 17.46 O +ATOM 1944 CB PHE A 250 6.346 10.906 15.769 1.00 17.09 C +ATOM 1945 CG PHE A 250 6.693 10.374 17.134 1.00 18.12 C +ATOM 1946 CD1 PHE A 250 6.147 10.974 18.268 1.00 17.44 C +ATOM 1947 CD2 PHE A 250 7.576 9.298 17.279 1.00 18.09 C +ATOM 1948 CE1 PHE A 250 6.404 10.493 19.548 1.00 17.68 C +ATOM 1949 CE2 PHE A 250 7.873 8.829 18.561 1.00 18.05 C +ATOM 1950 CZ PHE A 250 7.285 9.405 19.683 1.00 18.43 C +ATOM 1951 N LYS A 251 8.837 13.072 16.712 1.00 17.71 N +ATOM 1952 CA LYS A 251 10.227 13.348 17.073 1.00 18.65 C +ATOM 1953 C LYS A 251 10.958 13.960 15.898 1.00 19.15 C +ATOM 1954 O LYS A 251 12.152 13.797 15.704 1.00 20.28 O +ATOM 1955 CB LYS A 251 10.930 12.072 17.549 1.00 19.12 C +ATOM 1956 CG LYS A 251 10.246 11.642 18.847 1.00 20.14 C +ATOM 1957 CD LYS A 251 10.807 10.399 19.462 1.00 22.62 C +ATOM 1958 CE LYS A 251 11.897 10.766 20.450 1.00 23.46 C +ATOM 1959 NZ LYS A 251 12.867 11.594 19.686 1.00 27.44 N +ATOM 1960 N GLY A 252 10.169 14.714 15.142 1.00 19.58 N +ATOM 1961 CA GLY A 252 10.558 15.434 13.952 1.00 18.67 C +ATOM 1962 C GLY A 252 10.726 14.523 12.739 1.00 18.35 C +ATOM 1963 O GLY A 252 11.151 15.020 11.673 1.00 19.84 O +ATOM 1964 N GLN A 253 10.392 13.265 12.860 1.00 16.14 N +ATOM 1965 CA GLN A 253 10.526 12.311 11.758 1.00 14.94 C +ATOM 1966 C GLN A 253 9.178 12.016 11.137 1.00 14.00 C +ATOM 1967 O GLN A 253 8.187 11.853 11.839 1.00 14.58 O +ATOM 1968 CB GLN A 253 11.141 11.001 12.314 1.00 17.07 C +ATOM 1969 CG GLN A 253 12.456 11.189 13.049 1.00 16.94 C +ATOM 1970 CD GLN A 253 13.512 11.913 12.273 1.00 18.13 C +ATOM 1971 OE1 GLN A 253 13.675 11.835 11.067 1.00 17.36 O +ATOM 1972 NE2 GLN A 253 14.331 12.685 13.019 1.00 20.54 N +ATOM 1973 N PRO A 254 9.181 11.840 9.814 1.00 12.80 N +ATOM 1974 CA PRO A 254 7.954 11.528 9.101 1.00 12.90 C +ATOM 1975 C PRO A 254 7.378 10.204 9.540 1.00 13.34 C +ATOM 1976 O PRO A 254 8.153 9.320 9.901 1.00 14.67 O +ATOM 1977 CB PRO A 254 8.326 11.590 7.632 1.00 12.08 C +ATOM 1978 CG PRO A 254 9.775 11.908 7.541 1.00 12.35 C +ATOM 1979 CD PRO A 254 10.343 11.995 8.926 1.00 11.83 C +ATOM 1980 N SER A 255 6.073 10.057 9.537 1.00 13.30 N +ATOM 1981 CA SER A 255 5.353 8.801 9.826 1.00 13.32 C +ATOM 1982 C SER A 255 5.741 7.888 8.633 1.00 14.57 C +ATOM 1983 O SER A 255 5.966 8.466 7.553 1.00 13.75 O +ATOM 1984 CB SER A 255 3.848 8.965 9.841 1.00 13.60 C +ATOM 1985 OG SER A 255 3.437 9.742 10.953 1.00 14.05 O +ATOM 1986 N LYS A 256 5.811 6.605 8.864 1.00 14.19 N +ATOM 1987 CA LYS A 256 6.234 5.664 7.816 1.00 14.27 C +ATOM 1988 C LYS A 256 5.207 4.593 7.562 1.00 12.63 C +ATOM 1989 O LYS A 256 5.317 3.492 8.108 1.00 13.54 O +ATOM 1990 CB LYS A 256 7.498 4.926 8.259 1.00 17.17 C +ATOM 1991 CG LYS A 256 8.802 5.128 7.537 1.00 19.71 C +ATOM 1992 CD LYS A 256 9.851 5.836 8.344 1.00 23.14 C +ATOM 1993 CE LYS A 256 9.673 7.347 8.340 1.00 26.75 C +ATOM 1994 NZ LYS A 256 10.645 8.074 9.223 1.00 25.87 N +ATOM 1995 N PRO A 257 4.213 4.892 6.750 1.00 11.90 N +ATOM 1996 CA PRO A 257 3.197 3.926 6.423 1.00 11.40 C +ATOM 1997 C PRO A 257 3.814 2.919 5.414 1.00 12.47 C +ATOM 1998 O PRO A 257 4.765 3.308 4.760 1.00 13.26 O +ATOM 1999 CB PRO A 257 2.064 4.752 5.795 1.00 10.63 C +ATOM 2000 CG PRO A 257 2.809 5.894 5.158 1.00 11.06 C +ATOM 2001 CD PRO A 257 4.028 6.155 5.998 1.00 11.20 C +ATOM 2002 N PHE A 258 3.285 1.741 5.429 1.00 12.82 N +ATOM 2003 CA PHE A 258 3.711 0.679 4.482 1.00 13.06 C +ATOM 2004 C PHE A 258 3.097 1.139 3.147 1.00 13.09 C +ATOM 2005 O PHE A 258 1.969 1.678 3.121 1.00 13.27 O +ATOM 2006 CB PHE A 258 3.151 -0.689 4.864 1.00 12.31 C +ATOM 2007 CG PHE A 258 3.858 -1.438 5.952 1.00 13.41 C +ATOM 2008 CD1 PHE A 258 5.196 -1.789 5.800 1.00 11.61 C +ATOM 2009 CD2 PHE A 258 3.154 -1.766 7.130 1.00 13.41 C +ATOM 2010 CE1 PHE A 258 5.863 -2.485 6.797 1.00 14.30 C +ATOM 2011 CE2 PHE A 258 3.814 -2.451 8.162 1.00 13.74 C +ATOM 2012 CZ PHE A 258 5.166 -2.817 7.978 1.00 13.54 C +ATOM 2013 N VAL A 259 3.816 0.880 2.085 1.00 14.04 N +ATOM 2014 CA VAL A 259 3.425 1.223 0.687 1.00 12.16 C +ATOM 2015 C VAL A 259 3.071 -0.068 -0.058 1.00 12.28 C +ATOM 2016 O VAL A 259 3.897 -1.021 0.059 1.00 13.39 O +ATOM 2017 CB VAL A 259 4.602 1.955 0.039 1.00 10.95 C +ATOM 2018 CG1 VAL A 259 4.324 2.410 -1.382 1.00 12.44 C +ATOM 2019 CG2 VAL A 259 5.175 3.060 0.858 1.00 9.13 C +ATOM 2020 N GLY A 260 1.944 -0.140 -0.688 1.00 9.92 N +ATOM 2021 CA GLY A 260 1.522 -1.305 -1.491 1.00 10.31 C +ATOM 2022 C GLY A 260 1.626 -0.812 -2.950 1.00 10.92 C +ATOM 2023 O GLY A 260 1.304 0.352 -3.200 1.00 10.85 O +ATOM 2024 N VAL A 261 2.101 -1.610 -3.876 1.00 10.28 N +ATOM 2025 CA VAL A 261 2.262 -1.200 -5.280 1.00 10.83 C +ATOM 2026 C VAL A 261 1.543 -2.172 -6.172 1.00 11.05 C +ATOM 2027 O VAL A 261 1.920 -3.369 -6.090 1.00 13.20 O +ATOM 2028 CB VAL A 261 3.752 -1.101 -5.615 1.00 10.64 C +ATOM 2029 CG1 VAL A 261 4.042 -0.840 -7.104 1.00 10.29 C +ATOM 2030 CG2 VAL A 261 4.536 -0.110 -4.799 1.00 10.52 C +ATOM 2031 N LEU A 262 0.525 -1.796 -6.909 1.00 10.45 N +ATOM 2032 CA LEU A 262 -0.222 -2.570 -7.852 1.00 9.46 C +ATOM 2033 C LEU A 262 0.821 -2.889 -8.981 1.00 8.81 C +ATOM 2034 O LEU A 262 1.466 -1.958 -9.449 1.00 9.97 O +ATOM 2035 CB LEU A 262 -1.481 -1.900 -8.402 1.00 9.45 C +ATOM 2036 CG LEU A 262 -2.184 -2.768 -9.446 1.00 10.02 C +ATOM 2037 CD1 LEU A 262 -2.871 -3.966 -8.821 1.00 10.09 C +ATOM 2038 CD2 LEU A 262 -3.196 -1.950 -10.252 1.00 13.30 C +ATOM 2039 N SER A 263 1.008 -4.188 -9.179 1.00 8.84 N +ATOM 2040 CA SER A 263 2.068 -4.645 -10.085 1.00 8.57 C +ATOM 2041 C SER A 263 1.580 -5.566 -11.160 1.00 7.83 C +ATOM 2042 O SER A 263 0.549 -6.196 -11.044 1.00 8.28 O +ATOM 2043 CB SER A 263 3.198 -5.265 -9.218 1.00 7.35 C +ATOM 2044 OG SER A 263 3.865 -4.245 -8.515 1.00 10.27 O +ATOM 2045 N ALA A 264 2.367 -5.573 -12.265 1.00 8.47 N +ATOM 2046 CA ALA A 264 1.982 -6.450 -13.404 1.00 8.02 C +ATOM 2047 C ALA A 264 3.179 -7.395 -13.648 1.00 6.82 C +ATOM 2048 O ALA A 264 4.281 -6.941 -13.864 1.00 8.66 O +ATOM 2049 CB ALA A 264 1.665 -5.617 -14.625 1.00 7.51 C +ATOM 2050 N GLY A 265 2.865 -8.679 -13.541 1.00 9.27 N +ATOM 2051 CA GLY A 265 3.960 -9.689 -13.720 1.00 9.53 C +ATOM 2052 C GLY A 265 3.568 -10.591 -14.866 1.00 9.80 C +ATOM 2053 O GLY A 265 2.414 -10.795 -15.148 1.00 10.90 O +ATOM 2054 N ILE A 266 4.611 -11.155 -15.507 1.00 12.08 N +ATOM 2055 CA ILE A 266 4.442 -12.066 -16.673 1.00 10.40 C +ATOM 2056 C ILE A 266 4.656 -13.526 -16.244 1.00 8.46 C +ATOM 2057 O ILE A 266 5.676 -13.789 -15.597 1.00 9.80 O +ATOM 2058 CB ILE A 266 5.540 -11.668 -17.752 1.00 12.05 C +ATOM 2059 CG1 ILE A 266 5.320 -10.211 -18.224 1.00 12.99 C +ATOM 2060 CG2 ILE A 266 5.537 -12.621 -18.980 1.00 12.23 C +ATOM 2061 CD1 ILE A 266 6.545 -9.532 -18.864 1.00 13.90 C +ATOM 2062 N ASN A 267 3.778 -14.367 -16.587 1.00 9.54 N +ATOM 2063 CA ASN A 267 3.832 -15.822 -16.283 1.00 11.59 C +ATOM 2064 C ASN A 267 5.113 -16.393 -16.939 1.00 12.46 C +ATOM 2065 O ASN A 267 5.357 -16.189 -18.121 1.00 11.46 O +ATOM 2066 CB ASN A 267 2.549 -16.462 -16.718 1.00 12.61 C +ATOM 2067 CG ASN A 267 2.332 -17.864 -16.214 1.00 15.49 C +ATOM 2068 OD1 ASN A 267 3.331 -18.549 -15.935 1.00 18.04 O +ATOM 2069 ND2 ASN A 267 1.106 -18.319 -16.102 1.00 16.32 N +ATOM 2070 N ALA A 268 5.940 -17.020 -16.112 1.00 13.70 N +ATOM 2071 CA ALA A 268 7.190 -17.642 -16.583 1.00 13.59 C +ATOM 2072 C ALA A 268 6.857 -18.685 -17.650 1.00 14.79 C +ATOM 2073 O ALA A 268 7.729 -18.962 -18.479 1.00 15.46 O +ATOM 2074 CB ALA A 268 7.891 -18.340 -15.404 1.00 15.28 C +ATOM 2075 N ALA A 269 5.681 -19.276 -17.601 1.00 15.98 N +ATOM 2076 CA ALA A 269 5.194 -20.270 -18.529 1.00 17.18 C +ATOM 2077 C ALA A 269 4.608 -19.693 -19.804 1.00 18.26 C +ATOM 2078 O ALA A 269 4.328 -20.454 -20.744 1.00 19.88 O +ATOM 2079 CB ALA A 269 4.199 -21.261 -17.925 1.00 16.25 C +ATOM 2080 N SER A 270 4.456 -18.375 -19.922 1.00 19.03 N +ATOM 2081 CA SER A 270 3.877 -17.855 -21.162 1.00 18.81 C +ATOM 2082 C SER A 270 4.824 -17.904 -22.360 1.00 17.41 C +ATOM 2083 O SER A 270 5.983 -17.476 -22.289 1.00 17.21 O +ATOM 2084 CB SER A 270 3.465 -16.375 -20.966 1.00 19.08 C +ATOM 2085 N PRO A 271 4.251 -18.278 -23.481 1.00 18.21 N +ATOM 2086 CA PRO A 271 4.962 -18.277 -24.776 1.00 19.41 C +ATOM 2087 C PRO A 271 4.986 -16.903 -25.431 1.00 19.52 C +ATOM 2088 O PRO A 271 5.611 -16.629 -26.456 1.00 20.25 O +ATOM 2089 CB PRO A 271 4.131 -19.229 -25.648 1.00 18.98 C +ATOM 2090 CG PRO A 271 2.865 -19.495 -24.962 1.00 18.49 C +ATOM 2091 CD PRO A 271 2.876 -18.775 -23.638 1.00 17.66 C +ATOM 2092 N ASN A 272 4.296 -15.947 -24.806 1.00 19.99 N +ATOM 2093 CA ASN A 272 4.119 -14.580 -25.300 1.00 17.53 C +ATOM 2094 C ASN A 272 4.795 -13.507 -24.509 1.00 17.15 C +ATOM 2095 O ASN A 272 4.174 -12.421 -24.445 1.00 17.40 O +ATOM 2096 CB ASN A 272 2.577 -14.314 -25.278 1.00 17.28 C +ATOM 2097 CG ASN A 272 1.819 -15.436 -25.904 1.00 17.75 C +ATOM 2098 OD1 ASN A 272 2.067 -15.722 -27.110 1.00 21.09 O +ATOM 2099 ND2 ASN A 272 0.912 -16.102 -25.237 1.00 16.61 N +ATOM 2100 N LYS A 273 5.963 -13.672 -23.968 1.00 15.89 N +ATOM 2101 CA LYS A 273 6.595 -12.666 -23.161 1.00 15.61 C +ATOM 2102 C LYS A 273 6.957 -11.373 -23.850 1.00 14.89 C +ATOM 2103 O LYS A 273 7.024 -10.312 -23.193 1.00 13.04 O +ATOM 2104 CB LYS A 273 7.810 -13.200 -22.406 1.00 16.44 C +ATOM 2105 CG LYS A 273 7.500 -14.428 -21.513 1.00 18.29 C +ATOM 2106 CD LYS A 273 8.869 -14.850 -20.917 1.00 19.08 C +ATOM 2107 CE LYS A 273 8.757 -16.013 -19.990 1.00 20.51 C +ATOM 2108 NZ LYS A 273 8.060 -17.152 -20.657 1.00 22.24 N +ATOM 2109 N GLU A 274 7.312 -11.437 -25.109 1.00 14.68 N +ATOM 2110 CA GLU A 274 7.696 -10.273 -25.904 1.00 15.40 C +ATOM 2111 C GLU A 274 6.432 -9.469 -26.166 1.00 14.46 C +ATOM 2112 O GLU A 274 6.474 -8.233 -26.007 1.00 16.55 O +ATOM 2113 CB GLU A 274 8.397 -10.665 -27.196 1.00 18.96 C +ATOM 2114 CG GLU A 274 9.895 -10.989 -27.046 1.00 25.13 C +ATOM 2115 CD GLU A 274 10.730 -9.827 -26.565 1.00 32.33 C +ATOM 2116 OE1 GLU A 274 10.580 -8.755 -27.260 1.00 35.64 O +ATOM 2117 OE2 GLU A 274 11.505 -9.866 -25.588 1.00 34.56 O +ATOM 2118 N LEU A 275 5.354 -10.134 -26.441 1.00 13.59 N +ATOM 2119 CA LEU A 275 4.068 -9.457 -26.643 1.00 14.16 C +ATOM 2120 C LEU A 275 3.646 -8.730 -25.344 1.00 15.21 C +ATOM 2121 O LEU A 275 3.191 -7.575 -25.405 1.00 14.68 O +ATOM 2122 CB LEU A 275 3.039 -10.421 -27.133 1.00 14.20 C +ATOM 2123 CG LEU A 275 2.941 -10.800 -28.590 1.00 12.87 C +ATOM 2124 CD1 LEU A 275 1.908 -11.897 -28.756 1.00 14.03 C +ATOM 2125 CD2 LEU A 275 2.584 -9.556 -29.401 1.00 13.72 C +ATOM 2126 N ALA A 276 3.796 -9.409 -24.228 1.00 14.79 N +ATOM 2127 CA ALA A 276 3.455 -8.875 -22.894 1.00 13.92 C +ATOM 2128 C ALA A 276 4.206 -7.632 -22.544 1.00 14.41 C +ATOM 2129 O ALA A 276 3.672 -6.599 -22.087 1.00 14.14 O +ATOM 2130 CB ALA A 276 3.628 -9.966 -21.816 1.00 13.30 C +ATOM 2131 N LYS A 277 5.510 -7.649 -22.746 1.00 14.69 N +ATOM 2132 CA LYS A 277 6.388 -6.537 -22.459 1.00 16.42 C +ATOM 2133 C LYS A 277 6.099 -5.352 -23.356 1.00 17.59 C +ATOM 2134 O LYS A 277 6.266 -4.183 -22.984 1.00 18.77 O +ATOM 2135 CB LYS A 277 7.812 -6.991 -22.481 1.00 17.87 C +ATOM 2136 CG LYS A 277 8.710 -6.523 -23.577 1.00 19.84 C +ATOM 2137 CD LYS A 277 9.659 -5.485 -23.126 1.00 20.70 C +ATOM 2138 CE LYS A 277 11.047 -5.616 -23.708 1.00 18.89 C +ATOM 2139 NZ LYS A 277 11.996 -4.948 -22.803 1.00 20.29 N +ATOM 2140 N GLU A 278 5.664 -5.631 -24.562 1.00 18.83 N +ATOM 2141 CA GLU A 278 5.343 -4.563 -25.508 1.00 19.98 C +ATOM 2142 C GLU A 278 4.010 -3.933 -25.120 1.00 19.03 C +ATOM 2143 O GLU A 278 3.946 -2.701 -25.137 1.00 18.64 O +ATOM 2144 CB GLU A 278 5.482 -5.011 -26.934 1.00 23.47 C +ATOM 2145 CG GLU A 278 6.889 -4.713 -27.529 1.00 29.80 C +ATOM 2146 CD GLU A 278 8.177 -5.084 -26.883 1.00 31.85 C +ATOM 2147 OE1 GLU A 278 8.591 -6.252 -26.666 1.00 33.25 O +ATOM 2148 OE2 GLU A 278 8.873 -4.061 -26.603 1.00 30.71 O +ATOM 2149 N PHE A 279 3.034 -4.733 -24.784 1.00 17.34 N +ATOM 2150 CA PHE A 279 1.731 -4.275 -24.321 1.00 17.26 C +ATOM 2151 C PHE A 279 1.947 -3.403 -23.071 1.00 17.36 C +ATOM 2152 O PHE A 279 1.574 -2.230 -22.998 1.00 17.91 O +ATOM 2153 CB PHE A 279 0.769 -5.424 -24.059 1.00 17.16 C +ATOM 2154 CG PHE A 279 -0.517 -5.014 -23.408 1.00 19.28 C +ATOM 2155 CD1 PHE A 279 -1.581 -4.544 -24.165 1.00 18.39 C +ATOM 2156 CD2 PHE A 279 -0.653 -5.044 -22.006 1.00 19.29 C +ATOM 2157 CE1 PHE A 279 -2.770 -4.154 -23.577 1.00 17.31 C +ATOM 2158 CE2 PHE A 279 -1.826 -4.630 -21.391 1.00 18.78 C +ATOM 2159 CZ PHE A 279 -2.889 -4.204 -22.186 1.00 18.26 C +ATOM 2160 N LEU A 280 2.622 -3.972 -22.072 1.00 16.13 N +ATOM 2161 CA LEU A 280 2.901 -3.286 -20.841 1.00 15.36 C +ATOM 2162 C LEU A 280 3.710 -2.028 -21.013 1.00 16.20 C +ATOM 2163 O LEU A 280 3.333 -0.961 -20.483 1.00 15.77 O +ATOM 2164 CB LEU A 280 3.529 -4.289 -19.832 1.00 14.09 C +ATOM 2165 CG LEU A 280 2.657 -5.401 -19.299 1.00 11.92 C +ATOM 2166 CD1 LEU A 280 3.472 -6.377 -18.458 1.00 11.72 C +ATOM 2167 CD2 LEU A 280 1.528 -4.838 -18.438 1.00 11.52 C +ATOM 2168 N GLU A 281 4.885 -2.078 -21.660 1.00 15.88 N +ATOM 2169 CA GLU A 281 5.695 -0.887 -21.726 1.00 16.94 C +ATOM 2170 C GLU A 281 5.219 0.210 -22.671 1.00 17.58 C +ATOM 2171 O GLU A 281 5.429 1.420 -22.369 1.00 16.71 O +ATOM 2172 CB GLU A 281 7.160 -1.172 -22.001 1.00 17.10 C +ATOM 2173 CG GLU A 281 7.833 -2.326 -21.286 1.00 18.57 C +ATOM 2174 CD GLU A 281 9.328 -2.406 -21.499 1.00 19.82 C +ATOM 2175 OE1 GLU A 281 9.920 -1.731 -22.332 1.00 20.89 O +ATOM 2176 OE2 GLU A 281 9.889 -3.213 -20.736 1.00 18.79 O +ATOM 2177 N ASN A 282 4.579 -0.159 -23.747 1.00 19.14 N +ATOM 2178 CA ASN A 282 4.199 0.839 -24.771 1.00 19.67 C +ATOM 2179 C ASN A 282 2.751 1.099 -24.934 1.00 20.17 C +ATOM 2180 O ASN A 282 2.421 1.991 -25.750 1.00 21.65 O +ATOM 2181 CB ASN A 282 4.907 0.455 -26.102 1.00 20.76 C +ATOM 2182 CG ASN A 282 6.403 0.465 -25.927 1.00 20.63 C +ATOM 2183 OD1 ASN A 282 7.021 1.388 -25.409 1.00 21.70 O +ATOM 2184 ND2 ASN A 282 7.044 -0.633 -26.343 1.00 24.21 N +ATOM 2185 N TYR A 283 1.874 0.394 -24.251 1.00 20.76 N +ATOM 2186 CA TYR A 283 0.433 0.652 -24.398 1.00 20.53 C +ATOM 2187 C TYR A 283 -0.153 1.077 -23.056 1.00 20.01 C +ATOM 2188 O TYR A 283 -0.781 2.136 -22.951 1.00 19.89 O +ATOM 2189 CB TYR A 283 -0.301 -0.582 -24.957 1.00 22.76 C +ATOM 2190 CG TYR A 283 -0.020 -0.703 -26.447 1.00 26.36 C +ATOM 2191 CD1 TYR A 283 1.286 -0.995 -26.882 1.00 27.19 C +ATOM 2192 CD2 TYR A 283 -1.029 -0.485 -27.370 1.00 26.98 C +ATOM 2193 CE1 TYR A 283 1.584 -1.050 -28.234 1.00 28.54 C +ATOM 2194 CE2 TYR A 283 -0.755 -0.547 -28.739 1.00 29.62 C +ATOM 2195 CZ TYR A 283 0.544 -0.833 -29.149 1.00 30.73 C +ATOM 2196 OH TYR A 283 0.783 -0.890 -30.498 1.00 33.63 O +ATOM 2197 N LEU A 284 0.109 0.201 -22.082 1.00 18.07 N +ATOM 2198 CA LEU A 284 -0.401 0.424 -20.740 1.00 17.43 C +ATOM 2199 C LEU A 284 0.319 1.498 -19.978 1.00 16.74 C +ATOM 2200 O LEU A 284 -0.359 2.455 -19.513 1.00 18.11 O +ATOM 2201 CB LEU A 284 -0.633 -0.918 -20.018 1.00 16.91 C +ATOM 2202 CG LEU A 284 -1.108 -0.669 -18.571 1.00 15.79 C +ATOM 2203 CD1 LEU A 284 -2.568 -0.302 -18.613 1.00 16.40 C +ATOM 2204 CD2 LEU A 284 -0.834 -1.892 -17.728 1.00 15.61 C +ATOM 2205 N LEU A 285 1.617 1.468 -19.823 1.00 15.30 N +ATOM 2206 CA LEU A 285 2.383 2.417 -19.087 1.00 13.87 C +ATOM 2207 C LEU A 285 2.703 3.685 -19.876 1.00 14.06 C +ATOM 2208 O LEU A 285 3.846 4.087 -19.946 1.00 13.53 O +ATOM 2209 CB LEU A 285 3.591 1.774 -18.393 1.00 15.14 C +ATOM 2210 CG LEU A 285 3.197 0.866 -17.199 1.00 15.18 C +ATOM 2211 CD1 LEU A 285 4.223 -0.214 -17.018 1.00 15.89 C +ATOM 2212 CD2 LEU A 285 3.036 1.785 -16.004 1.00 13.93 C +ATOM 2213 N THR A 286 1.600 4.266 -20.297 1.00 15.17 N +ATOM 2214 CA THR A 286 1.592 5.540 -21.041 1.00 16.23 C +ATOM 2215 C THR A 286 0.455 6.405 -20.452 1.00 17.25 C +ATOM 2216 O THR A 286 -0.492 5.857 -19.888 1.00 17.63 O +ATOM 2217 CB THR A 286 1.302 5.286 -22.563 1.00 12.87 C +ATOM 2218 OG1 THR A 286 -0.066 4.798 -22.643 1.00 15.23 O +ATOM 2219 CG2 THR A 286 2.240 4.248 -23.208 1.00 16.42 C +ATOM 2220 N ASP A 287 0.531 7.692 -20.702 1.00 19.34 N +ATOM 2221 CA ASP A 287 -0.549 8.598 -20.204 1.00 21.26 C +ATOM 2222 C ASP A 287 -1.909 8.125 -20.683 1.00 21.51 C +ATOM 2223 O ASP A 287 -2.915 8.175 -19.949 1.00 22.59 O +ATOM 2224 CB ASP A 287 -0.250 10.037 -20.579 1.00 22.60 C +ATOM 2225 CG ASP A 287 0.899 10.664 -19.874 1.00 23.50 C +ATOM 2226 OD1 ASP A 287 1.347 10.191 -18.834 1.00 25.65 O +ATOM 2227 OD2 ASP A 287 1.388 11.705 -20.368 1.00 26.77 O +ATOM 2228 N GLU A 288 -1.990 7.675 -21.921 1.00 21.60 N +ATOM 2229 CA GLU A 288 -3.263 7.237 -22.494 1.00 22.44 C +ATOM 2230 C GLU A 288 -3.735 5.905 -21.965 1.00 20.74 C +ATOM 2231 O GLU A 288 -4.937 5.648 -21.865 1.00 19.77 O +ATOM 2232 CB GLU A 288 -3.208 7.208 -24.028 1.00 26.83 C +ATOM 2233 CG GLU A 288 -2.412 8.313 -24.717 1.00 33.37 C +ATOM 2234 CD GLU A 288 -0.994 8.054 -25.132 1.00 37.04 C +ATOM 2235 OE1 GLU A 288 -0.677 7.592 -26.240 1.00 39.18 O +ATOM 2236 OE2 GLU A 288 -0.146 8.387 -24.264 1.00 37.24 O +ATOM 2237 N GLY A 289 -2.782 5.031 -21.643 1.00 20.80 N +ATOM 2238 CA GLY A 289 -3.143 3.692 -21.117 1.00 19.14 C +ATOM 2239 C GLY A 289 -3.686 3.843 -19.673 1.00 17.83 C +ATOM 2240 O GLY A 289 -4.719 3.262 -19.380 1.00 17.06 O +ATOM 2241 N LEU A 290 -2.966 4.553 -18.840 1.00 17.52 N +ATOM 2242 CA LEU A 290 -3.369 4.741 -17.417 1.00 17.86 C +ATOM 2243 C LEU A 290 -4.696 5.483 -17.377 1.00 19.83 C +ATOM 2244 O LEU A 290 -5.569 5.208 -16.546 1.00 19.73 O +ATOM 2245 CB LEU A 290 -2.221 5.369 -16.644 1.00 16.15 C +ATOM 2246 CG LEU A 290 -0.933 4.542 -16.490 1.00 15.84 C +ATOM 2247 CD1 LEU A 290 0.148 5.296 -15.759 1.00 14.48 C +ATOM 2248 CD2 LEU A 290 -1.259 3.249 -15.739 1.00 16.11 C +ATOM 2249 N GLU A 291 -4.847 6.412 -18.314 1.00 21.59 N +ATOM 2250 CA GLU A 291 -6.068 7.213 -18.413 1.00 24.23 C +ATOM 2251 C GLU A 291 -7.292 6.396 -18.740 1.00 24.40 C +ATOM 2252 O GLU A 291 -8.339 6.608 -18.083 1.00 26.19 O +ATOM 2253 CB GLU A 291 -5.922 8.320 -19.438 1.00 27.33 C +ATOM 2254 CG GLU A 291 -7.200 9.045 -19.826 1.00 33.79 C +ATOM 2255 CD GLU A 291 -7.040 10.505 -20.125 1.00 37.57 C +ATOM 2256 OE1 GLU A 291 -5.985 10.774 -20.757 1.00 39.76 O +ATOM 2257 OE2 GLU A 291 -7.885 11.304 -19.734 1.00 40.97 O +ATOM 2258 N ALA A 292 -7.236 5.495 -19.708 1.00 23.01 N +ATOM 2259 CA ALA A 292 -8.366 4.633 -20.062 1.00 21.51 C +ATOM 2260 C ALA A 292 -8.753 3.758 -18.875 1.00 21.20 C +ATOM 2261 O ALA A 292 -9.953 3.523 -18.640 1.00 22.23 O +ATOM 2262 CB ALA A 292 -8.047 3.766 -21.260 1.00 20.96 C +ATOM 2263 N VAL A 293 -7.750 3.273 -18.135 1.00 20.89 N +ATOM 2264 CA VAL A 293 -8.020 2.422 -16.971 1.00 20.46 C +ATOM 2265 C VAL A 293 -8.659 3.254 -15.822 1.00 20.47 C +ATOM 2266 O VAL A 293 -9.684 2.827 -15.296 1.00 19.67 O +ATOM 2267 CB VAL A 293 -6.783 1.651 -16.496 1.00 20.38 C +ATOM 2268 CG1 VAL A 293 -7.096 0.988 -15.152 1.00 18.59 C +ATOM 2269 CG2 VAL A 293 -6.253 0.636 -17.516 1.00 19.15 C +ATOM 2270 N ASN A 294 -8.014 4.333 -15.521 1.00 21.02 N +ATOM 2271 CA ASN A 294 -8.414 5.303 -14.481 1.00 23.28 C +ATOM 2272 C ASN A 294 -9.848 5.772 -14.690 1.00 24.79 C +ATOM 2273 O ASN A 294 -10.615 5.869 -13.709 1.00 25.95 O +ATOM 2274 CB ASN A 294 -7.384 6.419 -14.374 1.00 22.23 C +ATOM 2275 CG ASN A 294 -7.500 7.241 -13.107 1.00 23.27 C +ATOM 2276 OD1 ASN A 294 -7.072 6.875 -12.005 1.00 22.58 O +ATOM 2277 ND2 ASN A 294 -8.076 8.424 -13.254 1.00 23.57 N +ATOM 2278 N LYS A 295 -10.240 6.021 -15.912 1.00 26.46 N +ATOM 2279 CA LYS A 295 -11.590 6.433 -16.299 1.00 27.92 C +ATOM 2280 C LYS A 295 -12.634 5.413 -15.883 1.00 28.43 C +ATOM 2281 O LYS A 295 -13.776 5.751 -15.489 1.00 29.46 O +ATOM 2282 CB LYS A 295 -11.689 6.686 -17.803 1.00 29.87 C +ATOM 2283 CG LYS A 295 -11.618 8.156 -18.177 1.00 33.18 C +ATOM 2284 CD LYS A 295 -11.197 8.464 -19.572 1.00 37.49 C +ATOM 2285 CE LYS A 295 -11.261 7.377 -20.608 1.00 40.61 C +ATOM 2286 NZ LYS A 295 -9.967 7.335 -21.396 1.00 43.43 N +ATOM 2287 N ASP A 296 -12.261 4.148 -15.927 1.00 28.17 N +ATOM 2288 CA ASP A 296 -13.120 3.031 -15.549 1.00 27.63 C +ATOM 2289 C ASP A 296 -13.220 2.943 -14.023 1.00 27.36 C +ATOM 2290 O ASP A 296 -14.333 2.848 -13.485 1.00 27.70 O +ATOM 2291 CB ASP A 296 -12.686 1.732 -16.220 1.00 28.58 C +ATOM 2292 CG ASP A 296 -13.638 0.596 -15.958 1.00 29.92 C +ATOM 2293 OD1 ASP A 296 -14.833 0.880 -15.702 1.00 32.53 O +ATOM 2294 OD2 ASP A 296 -13.285 -0.585 -15.970 1.00 31.67 O +ATOM 2295 N LYS A 297 -12.088 2.960 -13.361 1.00 26.82 N +ATOM 2296 CA LYS A 297 -11.954 2.888 -11.890 1.00 25.88 C +ATOM 2297 C LYS A 297 -10.649 3.569 -11.536 1.00 24.82 C +ATOM 2298 O LYS A 297 -9.595 3.208 -12.092 1.00 25.04 O +ATOM 2299 CB LYS A 297 -11.828 1.433 -11.472 1.00 29.35 C +ATOM 2300 CG LYS A 297 -12.849 0.853 -10.538 1.00 33.36 C +ATOM 2301 CD LYS A 297 -14.098 0.383 -11.292 1.00 38.20 C +ATOM 2302 CE LYS A 297 -13.928 -0.934 -11.989 1.00 40.38 C +ATOM 2303 NZ LYS A 297 -14.925 -1.214 -13.058 1.00 42.45 N +ATOM 2304 N PRO A 298 -10.666 4.530 -10.641 1.00 23.64 N +ATOM 2305 CA PRO A 298 -9.444 5.262 -10.262 1.00 23.56 C +ATOM 2306 C PRO A 298 -8.354 4.354 -9.737 1.00 20.96 C +ATOM 2307 O PRO A 298 -8.656 3.422 -8.968 1.00 22.34 O +ATOM 2308 CB PRO A 298 -9.906 6.335 -9.261 1.00 22.05 C +ATOM 2309 CG PRO A 298 -11.139 5.669 -8.664 1.00 23.79 C +ATOM 2310 CD PRO A 298 -11.834 5.064 -9.913 1.00 24.54 C +ATOM 2311 N LEU A 299 -7.136 4.655 -10.111 1.00 19.38 N +ATOM 2312 CA LEU A 299 -5.953 3.898 -9.676 1.00 18.86 C +ATOM 2313 C LEU A 299 -5.292 4.439 -8.409 1.00 18.42 C +ATOM 2314 O LEU A 299 -4.477 3.760 -7.768 1.00 17.48 O +ATOM 2315 CB LEU A 299 -4.945 3.971 -10.845 1.00 17.47 C +ATOM 2316 CG LEU A 299 -5.271 3.125 -12.054 1.00 18.29 C +ATOM 2317 CD1 LEU A 299 -4.336 3.502 -13.213 1.00 16.21 C +ATOM 2318 CD2 LEU A 299 -5.059 1.659 -11.670 1.00 18.30 C +ATOM 2319 N GLY A 300 -5.625 5.712 -8.134 1.00 16.79 N +ATOM 2320 CA GLY A 300 -5.033 6.437 -7.010 1.00 15.11 C +ATOM 2321 C GLY A 300 -3.769 7.051 -7.591 1.00 14.69 C +ATOM 2322 O GLY A 300 -3.872 7.501 -8.739 1.00 16.11 O +ATOM 2323 N ALA A 301 -2.689 7.083 -6.864 1.00 12.77 N +ATOM 2324 CA ALA A 301 -1.436 7.636 -7.317 1.00 13.31 C +ATOM 2325 C ALA A 301 -0.849 6.564 -8.292 1.00 13.01 C +ATOM 2326 O ALA A 301 -1.117 5.391 -8.063 1.00 13.82 O +ATOM 2327 CB ALA A 301 -0.498 7.939 -6.171 1.00 12.96 C +ATOM 2328 N VAL A 302 -0.136 7.001 -9.278 1.00 12.65 N +ATOM 2329 CA VAL A 302 0.424 6.037 -10.272 1.00 12.38 C +ATOM 2330 C VAL A 302 1.933 6.125 -10.263 1.00 12.45 C +ATOM 2331 O VAL A 302 2.470 7.132 -9.815 1.00 13.74 O +ATOM 2332 CB VAL A 302 -0.225 6.232 -11.642 1.00 11.06 C +ATOM 2333 CG1 VAL A 302 -1.659 5.823 -11.696 1.00 8.40 C +ATOM 2334 CG2 VAL A 302 0.100 7.630 -12.167 1.00 11.78 C +ATOM 2335 N ALA A 303 2.594 5.049 -10.773 1.00 11.78 N +ATOM 2336 CA ALA A 303 4.048 5.026 -10.783 1.00 10.28 C +ATOM 2337 C ALA A 303 4.675 5.839 -11.910 1.00 8.94 C +ATOM 2338 O ALA A 303 5.807 6.308 -11.737 1.00 8.91 O +ATOM 2339 CB ALA A 303 4.477 3.551 -10.753 1.00 11.49 C +ATOM 2340 N LEU A 304 3.966 6.026 -12.988 1.00 9.94 N +ATOM 2341 CA LEU A 304 4.429 6.799 -14.169 1.00 9.82 C +ATOM 2342 C LEU A 304 4.456 8.295 -13.830 1.00 11.25 C +ATOM 2343 O LEU A 304 3.338 8.800 -13.679 1.00 13.27 O +ATOM 2344 CB LEU A 304 3.460 6.505 -15.299 1.00 8.98 C +ATOM 2345 CG LEU A 304 3.865 7.070 -16.667 1.00 8.95 C +ATOM 2346 CD1 LEU A 304 5.137 6.390 -17.178 1.00 11.14 C +ATOM 2347 CD2 LEU A 304 2.704 6.916 -17.625 1.00 8.20 C +ATOM 2348 N LYS A 305 5.574 8.900 -13.716 1.00 12.00 N +ATOM 2349 CA LYS A 305 5.780 10.283 -13.367 1.00 14.15 C +ATOM 2350 C LYS A 305 4.936 11.291 -14.132 1.00 15.89 C +ATOM 2351 O LYS A 305 4.410 12.236 -13.547 1.00 16.83 O +ATOM 2352 CB LYS A 305 7.199 10.773 -13.487 1.00 14.13 C +ATOM 2353 CG LYS A 305 8.225 10.209 -12.520 1.00 17.16 C +ATOM 2354 CD LYS A 305 9.579 10.187 -13.220 1.00 18.41 C +ATOM 2355 CE LYS A 305 10.715 10.470 -12.290 1.00 21.63 C +ATOM 2356 NZ LYS A 305 11.977 10.299 -13.080 1.00 22.97 N +ATOM 2357 N SER A 306 4.825 11.116 -15.418 1.00 16.87 N +ATOM 2358 CA SER A 306 4.106 12.017 -16.320 1.00 17.39 C +ATOM 2359 C SER A 306 2.622 12.098 -16.023 1.00 17.81 C +ATOM 2360 O SER A 306 2.007 13.195 -15.989 1.00 17.25 O +ATOM 2361 CB SER A 306 4.452 11.640 -17.756 1.00 15.61 C +ATOM 2362 OG SER A 306 3.778 10.478 -18.173 1.00 17.47 O +ATOM 2363 N TYR A 307 1.996 10.941 -15.823 1.00 16.77 N +ATOM 2364 CA TYR A 307 0.576 10.891 -15.558 1.00 16.79 C +ATOM 2365 C TYR A 307 0.306 11.257 -14.083 1.00 16.58 C +ATOM 2366 O TYR A 307 -0.742 11.826 -13.793 1.00 17.27 O +ATOM 2367 CB TYR A 307 -0.081 9.577 -15.960 1.00 15.73 C +ATOM 2368 CG TYR A 307 -1.589 9.594 -15.955 1.00 16.86 C +ATOM 2369 CD1 TYR A 307 -2.286 10.618 -16.626 1.00 17.69 C +ATOM 2370 CD2 TYR A 307 -2.328 8.628 -15.291 1.00 17.22 C +ATOM 2371 CE1 TYR A 307 -3.671 10.628 -16.646 1.00 18.08 C +ATOM 2372 CE2 TYR A 307 -3.714 8.616 -15.309 1.00 19.05 C +ATOM 2373 CZ TYR A 307 -4.377 9.656 -15.984 1.00 18.92 C +ATOM 2374 OH TYR A 307 -5.733 9.620 -15.991 1.00 21.10 O +ATOM 2375 N GLU A 308 1.241 10.936 -13.232 1.00 16.87 N +ATOM 2376 CA GLU A 308 1.050 11.233 -11.806 1.00 18.28 C +ATOM 2377 C GLU A 308 0.939 12.763 -11.654 1.00 20.86 C +ATOM 2378 O GLU A 308 0.135 13.275 -10.862 1.00 21.33 O +ATOM 2379 CB GLU A 308 2.202 10.742 -10.956 1.00 15.12 C +ATOM 2380 CG GLU A 308 2.182 11.085 -9.494 1.00 13.23 C +ATOM 2381 CD GLU A 308 0.985 10.843 -8.655 1.00 12.23 C +ATOM 2382 OE1 GLU A 308 0.126 10.120 -9.136 1.00 12.48 O +ATOM 2383 OE2 GLU A 308 0.866 11.366 -7.530 1.00 14.79 O +ATOM 2384 N GLU A 309 1.758 13.460 -12.427 1.00 23.34 N +ATOM 2385 CA GLU A 309 1.769 14.929 -12.409 1.00 25.28 C +ATOM 2386 C GLU A 309 0.420 15.481 -12.818 1.00 23.96 C +ATOM 2387 O GLU A 309 0.043 16.541 -12.281 1.00 24.41 O +ATOM 2388 CB GLU A 309 2.920 15.558 -13.148 1.00 28.64 C +ATOM 2389 CG GLU A 309 4.218 15.746 -12.339 1.00 34.63 C +ATOM 2390 CD GLU A 309 5.463 15.974 -13.133 1.00 39.46 C +ATOM 2391 OE1 GLU A 309 5.253 16.620 -14.189 1.00 42.21 O +ATOM 2392 OE2 GLU A 309 6.584 15.576 -12.808 1.00 42.37 O +ATOM 2393 N GLU A 310 -0.329 14.805 -13.641 1.00 23.15 N +ATOM 2394 CA GLU A 310 -1.659 15.264 -14.030 1.00 23.31 C +ATOM 2395 C GLU A 310 -2.641 14.989 -12.897 1.00 21.42 C +ATOM 2396 O GLU A 310 -3.485 15.793 -12.475 1.00 20.02 O +ATOM 2397 CB GLU A 310 -2.163 14.620 -15.311 1.00 27.65 C +ATOM 2398 CG GLU A 310 -3.511 15.082 -15.845 1.00 36.32 C +ATOM 2399 CD GLU A 310 -4.166 14.384 -16.998 1.00 41.10 C +ATOM 2400 OE1 GLU A 310 -3.514 14.516 -18.073 1.00 42.60 O +ATOM 2401 OE2 GLU A 310 -5.244 13.761 -16.936 1.00 43.11 O +ATOM 2402 N LEU A 311 -2.518 13.782 -12.356 1.00 19.32 N +ATOM 2403 CA LEU A 311 -3.378 13.295 -11.281 1.00 17.23 C +ATOM 2404 C LEU A 311 -3.239 14.064 -9.972 1.00 15.25 C +ATOM 2405 O LEU A 311 -4.209 14.153 -9.200 1.00 14.94 O +ATOM 2406 CB LEU A 311 -3.081 11.780 -11.126 1.00 18.37 C +ATOM 2407 CG LEU A 311 -3.619 10.762 -12.084 1.00 18.05 C +ATOM 2408 CD1 LEU A 311 -3.310 9.333 -11.564 1.00 16.89 C +ATOM 2409 CD2 LEU A 311 -5.114 10.898 -12.245 1.00 17.02 C +ATOM 2410 N ALA A 312 -2.057 14.509 -9.689 1.00 14.32 N +ATOM 2411 CA ALA A 312 -1.680 15.230 -8.503 1.00 14.24 C +ATOM 2412 C ALA A 312 -2.385 16.592 -8.353 1.00 15.09 C +ATOM 2413 O ALA A 312 -2.170 17.247 -7.316 1.00 15.93 O +ATOM 2414 CB ALA A 312 -0.181 15.324 -8.413 1.00 13.86 C +ATOM 2415 N LYS A 313 -3.201 17.009 -9.270 1.00 15.62 N +ATOM 2416 CA LYS A 313 -4.028 18.239 -9.211 1.00 15.61 C +ATOM 2417 C LYS A 313 -5.179 18.019 -8.228 1.00 15.60 C +ATOM 2418 O LYS A 313 -5.956 18.898 -7.836 1.00 16.09 O +ATOM 2419 CB LYS A 313 -4.613 18.618 -10.569 1.00 15.73 C +ATOM 2420 CG LYS A 313 -3.486 19.081 -11.515 1.00 18.36 C +ATOM 2421 CD LYS A 313 -4.112 19.551 -12.852 1.00 20.05 C +ATOM 2422 CE LYS A 313 -2.991 20.221 -13.647 1.00 22.83 C +ATOM 2423 NZ LYS A 313 -3.434 20.632 -15.001 1.00 26.20 N +ATOM 2424 N ASP A 314 -5.377 16.757 -7.869 1.00 14.85 N +ATOM 2425 CA ASP A 314 -6.324 16.313 -6.852 1.00 13.62 C +ATOM 2426 C ASP A 314 -5.408 16.252 -5.619 1.00 14.54 C +ATOM 2427 O ASP A 314 -4.442 15.454 -5.667 1.00 14.79 O +ATOM 2428 CB ASP A 314 -6.946 14.987 -7.208 1.00 14.31 C +ATOM 2429 CG ASP A 314 -7.914 14.486 -6.176 1.00 14.22 C +ATOM 2430 OD1 ASP A 314 -7.840 14.900 -5.009 1.00 15.63 O +ATOM 2431 OD2 ASP A 314 -8.800 13.699 -6.519 1.00 17.39 O +ATOM 2432 N PRO A 315 -5.619 17.095 -4.633 1.00 13.58 N +ATOM 2433 CA PRO A 315 -4.755 17.119 -3.474 1.00 13.06 C +ATOM 2434 C PRO A 315 -4.811 15.816 -2.691 1.00 10.05 C +ATOM 2435 O PRO A 315 -3.803 15.571 -1.989 1.00 12.24 O +ATOM 2436 CB PRO A 315 -5.151 18.402 -2.724 1.00 14.11 C +ATOM 2437 CG PRO A 315 -6.618 18.521 -3.048 1.00 13.96 C +ATOM 2438 CD PRO A 315 -6.711 18.075 -4.508 1.00 14.82 C +ATOM 2439 N ARG A 316 -5.803 15.029 -2.810 1.00 9.18 N +ATOM 2440 CA ARG A 316 -5.903 13.710 -2.108 1.00 9.27 C +ATOM 2441 C ARG A 316 -4.874 12.729 -2.703 1.00 11.04 C +ATOM 2442 O ARG A 316 -4.219 11.925 -1.991 1.00 10.27 O +ATOM 2443 CB ARG A 316 -7.285 13.130 -2.278 1.00 8.36 C +ATOM 2444 CG ARG A 316 -8.403 13.980 -1.678 1.00 9.10 C +ATOM 2445 CD ARG A 316 -9.711 13.367 -1.946 1.00 10.22 C +ATOM 2446 NE ARG A 316 -10.089 13.293 -3.332 1.00 11.51 N +ATOM 2447 CZ ARG A 316 -11.050 12.674 -3.920 1.00 11.88 C +ATOM 2448 NH1 ARG A 316 -11.962 11.925 -3.310 1.00 14.42 N +ATOM 2449 NH2 ARG A 316 -11.215 12.770 -5.259 1.00 16.24 N +ATOM 2450 N ILE A 317 -4.750 12.850 -4.026 1.00 11.07 N +ATOM 2451 CA ILE A 317 -3.767 11.998 -4.748 1.00 10.52 C +ATOM 2452 C ILE A 317 -2.362 12.463 -4.475 1.00 10.62 C +ATOM 2453 O ILE A 317 -1.446 11.606 -4.243 1.00 11.02 O +ATOM 2454 CB ILE A 317 -4.147 11.794 -6.236 1.00 10.52 C +ATOM 2455 CG1 ILE A 317 -5.354 10.883 -6.340 1.00 12.18 C +ATOM 2456 CG2 ILE A 317 -2.894 11.270 -7.020 1.00 8.98 C +ATOM 2457 CD1 ILE A 317 -6.144 10.891 -7.673 1.00 16.80 C +ATOM 2458 N ALA A 318 -2.112 13.763 -4.409 1.00 9.51 N +ATOM 2459 CA ALA A 318 -0.821 14.318 -4.126 1.00 9.00 C +ATOM 2460 C ALA A 318 -0.346 13.885 -2.725 1.00 10.36 C +ATOM 2461 O ALA A 318 0.875 13.721 -2.512 1.00 10.91 O +ATOM 2462 CB ALA A 318 -0.763 15.839 -4.179 1.00 8.79 C +ATOM 2463 N ALA A 319 -1.300 13.899 -1.802 1.00 10.51 N +ATOM 2464 CA ALA A 319 -0.993 13.548 -0.415 1.00 11.00 C +ATOM 2465 C ALA A 319 -0.610 12.044 -0.312 1.00 11.27 C +ATOM 2466 O ALA A 319 0.345 11.767 0.416 1.00 11.44 O +ATOM 2467 CB ALA A 319 -2.222 13.837 0.439 1.00 10.89 C +ATOM 2468 N THR A 320 -1.333 11.221 -0.989 1.00 12.52 N +ATOM 2469 CA THR A 320 -1.153 9.763 -1.068 1.00 13.21 C +ATOM 2470 C THR A 320 0.297 9.512 -1.505 1.00 13.30 C +ATOM 2471 O THR A 320 1.042 8.787 -0.834 1.00 12.64 O +ATOM 2472 CB THR A 320 -2.177 9.021 -1.979 1.00 13.16 C +ATOM 2473 OG1 THR A 320 -3.506 9.239 -1.463 1.00 12.06 O +ATOM 2474 CG2 THR A 320 -1.921 7.483 -2.145 1.00 12.92 C +ATOM 2475 N MET A 321 0.665 10.089 -2.632 1.00 12.91 N +ATOM 2476 CA MET A 321 2.048 9.968 -3.147 1.00 11.31 C +ATOM 2477 C MET A 321 3.067 10.461 -2.189 1.00 11.45 C +ATOM 2478 O MET A 321 4.133 9.843 -1.973 1.00 10.75 O +ATOM 2479 CB MET A 321 2.152 10.504 -4.570 1.00 12.72 C +ATOM 2480 CG MET A 321 3.571 10.548 -5.063 1.00 13.26 C +ATOM 2481 SD MET A 321 4.147 8.831 -5.303 1.00 17.65 S +ATOM 2482 CE MET A 321 3.318 8.373 -6.792 1.00 12.84 C +ATOM 2483 N GLU A 322 2.870 11.607 -1.520 1.00 11.40 N +ATOM 2484 CA GLU A 322 3.797 12.161 -0.566 1.00 12.26 C +ATOM 2485 C GLU A 322 4.095 11.249 0.643 1.00 10.44 C +ATOM 2486 O GLU A 322 5.240 11.139 1.072 1.00 10.09 O +ATOM 2487 CB GLU A 322 3.255 13.489 0.069 1.00 15.44 C +ATOM 2488 CG GLU A 322 4.369 14.298 0.687 1.00 22.41 C +ATOM 2489 CD GLU A 322 4.048 15.653 1.204 1.00 27.16 C +ATOM 2490 OE1 GLU A 322 2.881 16.012 0.908 1.00 31.40 O +ATOM 2491 OE2 GLU A 322 4.831 16.301 1.883 1.00 29.95 O +ATOM 2492 N ASN A 323 3.038 10.670 1.143 1.00 9.72 N +ATOM 2493 CA ASN A 323 3.060 9.754 2.281 1.00 9.90 C +ATOM 2494 C ASN A 323 3.823 8.450 1.845 1.00 9.84 C +ATOM 2495 O ASN A 323 4.585 7.969 2.651 1.00 9.18 O +ATOM 2496 CB ASN A 323 1.679 9.468 2.821 1.00 8.18 C +ATOM 2497 CG ASN A 323 1.225 10.606 3.788 1.00 6.70 C +ATOM 2498 OD1 ASN A 323 1.974 11.117 4.591 1.00 10.74 O +ATOM 2499 ND2 ASN A 323 -0.016 10.958 3.594 1.00 9.12 N +ATOM 2500 N ALA A 324 3.493 8.018 0.665 1.00 9.59 N +ATOM 2501 CA ALA A 324 4.093 6.828 0.053 1.00 11.72 C +ATOM 2502 C ALA A 324 5.581 7.047 -0.142 1.00 12.19 C +ATOM 2503 O ALA A 324 6.369 6.134 0.136 1.00 13.37 O +ATOM 2504 CB ALA A 324 3.334 6.372 -1.149 1.00 11.56 C +ATOM 2505 N GLN A 325 6.036 8.206 -0.531 1.00 12.59 N +ATOM 2506 CA GLN A 325 7.441 8.498 -0.720 1.00 14.50 C +ATOM 2507 C GLN A 325 8.190 8.517 0.583 1.00 15.10 C +ATOM 2508 O GLN A 325 9.419 8.368 0.599 1.00 16.84 O +ATOM 2509 CB GLN A 325 7.749 9.766 -1.524 1.00 16.38 C +ATOM 2510 CG GLN A 325 7.370 9.630 -2.986 1.00 20.18 C +ATOM 2511 CD GLN A 325 7.451 10.920 -3.744 1.00 24.80 C +ATOM 2512 OE1 GLN A 325 6.735 11.112 -4.733 1.00 29.73 O +ATOM 2513 NE2 GLN A 325 8.306 11.847 -3.340 1.00 25.88 N +ATOM 2514 N LYS A 326 7.525 8.770 1.673 1.00 16.51 N +ATOM 2515 CA LYS A 326 8.093 8.800 3.013 1.00 16.13 C +ATOM 2516 C LYS A 326 7.914 7.472 3.764 1.00 14.56 C +ATOM 2517 O LYS A 326 8.540 7.318 4.820 1.00 15.48 O +ATOM 2518 CB LYS A 326 7.440 9.931 3.830 1.00 18.50 C +ATOM 2519 CG LYS A 326 7.933 11.326 3.487 1.00 19.09 C +ATOM 2520 CD LYS A 326 6.849 12.371 3.796 1.00 22.93 C +ATOM 2521 CE LYS A 326 7.300 13.718 3.243 1.00 25.58 C +ATOM 2522 NZ LYS A 326 6.448 14.813 3.766 1.00 30.23 N +ATOM 2523 N GLY A 327 7.116 6.566 3.311 1.00 13.56 N +ATOM 2524 CA GLY A 327 6.784 5.289 3.910 1.00 12.09 C +ATOM 2525 C GLY A 327 7.829 4.198 3.683 1.00 12.11 C +ATOM 2526 O GLY A 327 8.928 4.428 3.208 1.00 13.08 O +ATOM 2527 N GLU A 328 7.486 3.018 4.081 1.00 12.62 N +ATOM 2528 CA GLU A 328 8.264 1.779 4.020 1.00 12.63 C +ATOM 2529 C GLU A 328 7.671 0.810 3.055 1.00 11.11 C +ATOM 2530 O GLU A 328 6.504 0.334 3.233 1.00 11.61 O +ATOM 2531 CB GLU A 328 8.292 1.142 5.444 1.00 13.55 C +ATOM 2532 CG GLU A 328 9.094 -0.187 5.494 1.00 15.48 C +ATOM 2533 CD GLU A 328 9.473 -0.800 6.800 1.00 18.39 C +ATOM 2534 OE1 GLU A 328 8.950 -0.274 7.813 1.00 16.83 O +ATOM 2535 OE2 GLU A 328 10.230 -1.762 6.897 1.00 17.93 O +ATOM 2536 N ILE A 329 8.388 0.483 1.962 1.00 11.59 N +ATOM 2537 CA ILE A 329 7.799 -0.513 1.023 1.00 12.02 C +ATOM 2538 C ILE A 329 7.541 -1.806 1.824 1.00 12.33 C +ATOM 2539 O ILE A 329 8.446 -2.211 2.556 1.00 13.98 O +ATOM 2540 CB ILE A 329 8.672 -0.812 -0.213 1.00 13.31 C +ATOM 2541 CG1 ILE A 329 8.697 0.378 -1.200 1.00 14.53 C +ATOM 2542 CG2 ILE A 329 8.223 -2.094 -0.971 1.00 12.62 C +ATOM 2543 CD1 ILE A 329 10.111 0.566 -1.844 1.00 17.67 C +ATOM 2544 N MET A 330 6.406 -2.404 1.713 1.00 12.42 N +ATOM 2545 CA MET A 330 6.112 -3.635 2.449 1.00 14.72 C +ATOM 2546 C MET A 330 6.992 -4.789 1.880 1.00 15.57 C +ATOM 2547 O MET A 330 6.859 -5.066 0.684 1.00 14.78 O +ATOM 2548 CB MET A 330 4.642 -3.982 2.218 1.00 15.11 C +ATOM 2549 CG MET A 330 4.093 -4.848 3.316 1.00 17.96 C +ATOM 2550 SD MET A 330 2.380 -5.204 2.840 1.00 27.27 S +ATOM 2551 CE MET A 330 1.676 -3.573 2.761 1.00 20.93 C +ATOM 2552 N PRO A 331 7.788 -5.411 2.721 1.00 16.28 N +ATOM 2553 CA PRO A 331 8.636 -6.569 2.324 1.00 16.35 C +ATOM 2554 C PRO A 331 7.826 -7.658 1.674 1.00 16.07 C +ATOM 2555 O PRO A 331 6.722 -8.027 2.044 1.00 15.60 O +ATOM 2556 CB PRO A 331 9.301 -6.991 3.640 1.00 15.51 C +ATOM 2557 CG PRO A 331 9.379 -5.669 4.407 1.00 16.41 C +ATOM 2558 CD PRO A 331 7.978 -5.097 4.158 1.00 15.66 C +ATOM 2559 N ASN A 332 8.348 -8.201 0.551 1.00 17.52 N +ATOM 2560 CA ASN A 332 7.650 -9.238 -0.214 1.00 19.60 C +ATOM 2561 C ASN A 332 8.032 -10.692 0.128 1.00 21.69 C +ATOM 2562 O ASN A 332 7.537 -11.629 -0.533 1.00 21.90 O +ATOM 2563 CB ASN A 332 7.768 -8.957 -1.713 1.00 19.05 C +ATOM 2564 CG ASN A 332 9.199 -9.006 -2.216 1.00 19.14 C +ATOM 2565 OD1 ASN A 332 10.138 -9.122 -1.424 1.00 19.49 O +ATOM 2566 ND2 ASN A 332 9.393 -8.843 -3.521 1.00 18.42 N +ATOM 2567 N ILE A 333 8.860 -10.858 1.132 1.00 23.54 N +ATOM 2568 CA ILE A 333 9.386 -12.133 1.630 1.00 23.73 C +ATOM 2569 C ILE A 333 8.391 -12.802 2.568 1.00 26.41 C +ATOM 2570 O ILE A 333 7.532 -12.159 3.181 1.00 26.88 O +ATOM 2571 CB ILE A 333 10.759 -11.931 2.314 1.00 22.71 C +ATOM 2572 CG1 ILE A 333 10.557 -11.075 3.592 1.00 20.87 C +ATOM 2573 CG2 ILE A 333 11.827 -11.338 1.340 1.00 22.55 C +ATOM 2574 CD1 ILE A 333 11.831 -10.660 4.338 1.00 22.28 C +ATOM 2575 N PRO A 334 8.557 -14.130 2.629 1.00 28.09 N +ATOM 2576 CA PRO A 334 7.728 -15.004 3.442 1.00 27.09 C +ATOM 2577 C PRO A 334 7.784 -14.754 4.926 1.00 26.07 C +ATOM 2578 O PRO A 334 6.769 -14.951 5.603 1.00 25.78 O +ATOM 2579 CB PRO A 334 8.189 -16.411 3.033 1.00 28.87 C +ATOM 2580 CG PRO A 334 9.576 -16.236 2.499 1.00 29.02 C +ATOM 2581 CD PRO A 334 9.613 -14.857 1.880 1.00 28.33 C +ATOM 2582 N GLN A 335 8.867 -14.325 5.497 1.00 26.10 N +ATOM 2583 CA GLN A 335 9.018 -14.012 6.909 1.00 27.64 C +ATOM 2584 C GLN A 335 8.104 -12.876 7.384 1.00 27.88 C +ATOM 2585 O GLN A 335 8.038 -12.565 8.587 1.00 28.37 O +ATOM 2586 CB GLN A 335 10.472 -13.613 7.207 1.00 30.20 C +ATOM 2587 CG GLN A 335 11.488 -14.664 6.932 1.00 35.26 C +ATOM 2588 CD GLN A 335 12.069 -14.771 5.556 1.00 36.99 C +ATOM 2589 OE1 GLN A 335 12.479 -13.805 4.921 1.00 39.83 O +ATOM 2590 NE2 GLN A 335 12.209 -16.008 5.078 1.00 39.04 N +ATOM 2591 N MET A 336 7.466 -12.197 6.452 1.00 27.07 N +ATOM 2592 CA MET A 336 6.546 -11.074 6.707 1.00 25.43 C +ATOM 2593 C MET A 336 5.332 -11.618 7.441 1.00 25.18 C +ATOM 2594 O MET A 336 4.689 -10.871 8.193 1.00 25.17 O +ATOM 2595 CB MET A 336 6.225 -10.367 5.411 1.00 25.09 C +ATOM 2596 CG MET A 336 5.698 -9.000 5.449 1.00 22.74 C +ATOM 2597 SD MET A 336 6.644 -7.844 6.463 1.00 21.02 S +ATOM 2598 CE MET A 336 5.314 -6.654 6.723 1.00 20.76 C +ATOM 2599 N SER A 337 5.027 -12.894 7.249 1.00 24.45 N +ATOM 2600 CA SER A 337 3.870 -13.468 7.956 1.00 25.72 C +ATOM 2601 C SER A 337 4.139 -13.480 9.466 1.00 24.95 C +ATOM 2602 O SER A 337 3.231 -13.312 10.302 1.00 26.91 O +ATOM 2603 CB SER A 337 3.580 -14.873 7.475 1.00 27.38 C +ATOM 2604 OG SER A 337 3.823 -14.932 6.080 1.00 33.01 O +ATOM 2605 N ALA A 338 5.369 -13.707 9.831 1.00 24.10 N +ATOM 2606 CA ALA A 338 5.778 -13.729 11.235 1.00 22.50 C +ATOM 2607 C ALA A 338 5.598 -12.334 11.835 1.00 21.10 C +ATOM 2608 O ALA A 338 5.173 -12.187 12.983 1.00 19.75 O +ATOM 2609 CB ALA A 338 7.228 -14.170 11.343 1.00 23.74 C +ATOM 2610 N PHE A 339 6.001 -11.349 11.050 1.00 19.37 N +ATOM 2611 CA PHE A 339 5.905 -9.934 11.453 1.00 17.84 C +ATOM 2612 C PHE A 339 4.448 -9.573 11.726 1.00 17.13 C +ATOM 2613 O PHE A 339 4.159 -9.002 12.792 1.00 16.70 O +ATOM 2614 CB PHE A 339 6.607 -8.997 10.471 1.00 17.26 C +ATOM 2615 CG PHE A 339 6.427 -7.510 10.676 1.00 16.13 C +ATOM 2616 CD1 PHE A 339 5.244 -6.882 10.273 1.00 16.92 C +ATOM 2617 CD2 PHE A 339 7.433 -6.751 11.245 1.00 15.34 C +ATOM 2618 CE1 PHE A 339 5.054 -5.518 10.461 1.00 14.62 C +ATOM 2619 CE2 PHE A 339 7.279 -5.390 11.430 1.00 15.91 C +ATOM 2620 CZ PHE A 339 6.090 -4.798 11.024 1.00 14.44 C +ATOM 2621 N TRP A 340 3.528 -9.905 10.860 1.00 17.90 N +ATOM 2622 CA TRP A 340 2.134 -9.533 11.077 1.00 20.03 C +ATOM 2623 C TRP A 340 1.625 -10.003 12.426 1.00 21.91 C +ATOM 2624 O TRP A 340 1.127 -9.207 13.233 1.00 20.60 O +ATOM 2625 CB TRP A 340 1.202 -9.824 9.919 1.00 21.10 C +ATOM 2626 CG TRP A 340 1.485 -9.072 8.664 1.00 22.51 C +ATOM 2627 CD1 TRP A 340 1.826 -9.610 7.455 1.00 23.59 C +ATOM 2628 CD2 TRP A 340 1.503 -7.646 8.477 1.00 23.76 C +ATOM 2629 NE1 TRP A 340 2.048 -8.618 6.536 1.00 24.52 N +ATOM 2630 CE2 TRP A 340 1.860 -7.406 7.139 1.00 23.86 C +ATOM 2631 CE3 TRP A 340 1.230 -6.561 9.302 1.00 24.45 C +ATOM 2632 CZ2 TRP A 340 1.962 -6.118 6.619 1.00 24.36 C +ATOM 2633 CZ3 TRP A 340 1.319 -5.291 8.789 1.00 23.78 C +ATOM 2634 CH2 TRP A 340 1.695 -5.066 7.464 1.00 23.96 C +ATOM 2635 N TYR A 341 1.730 -11.324 12.631 1.00 23.83 N +ATOM 2636 CA TYR A 341 1.230 -11.921 13.889 1.00 24.81 C +ATOM 2637 C TYR A 341 1.965 -11.392 15.091 1.00 21.76 C +ATOM 2638 O TYR A 341 1.278 -11.038 16.066 1.00 21.78 O +ATOM 2639 CB TYR A 341 1.133 -13.470 13.843 1.00 30.63 C +ATOM 2640 CG TYR A 341 2.169 -14.107 14.741 1.00 38.04 C +ATOM 2641 CD1 TYR A 341 3.473 -14.296 14.269 1.00 41.29 C +ATOM 2642 CD2 TYR A 341 1.900 -14.417 16.083 1.00 41.27 C +ATOM 2643 CE1 TYR A 341 4.494 -14.808 15.073 1.00 43.58 C +ATOM 2644 CE2 TYR A 341 2.901 -14.953 16.902 1.00 44.43 C +ATOM 2645 CZ TYR A 341 4.197 -15.144 16.393 1.00 45.41 C +ATOM 2646 OH TYR A 341 5.215 -15.669 17.162 1.00 47.19 O +ATOM 2647 N ALA A 342 3.270 -11.335 15.092 1.00 19.43 N +ATOM 2648 CA ALA A 342 4.044 -10.862 16.214 1.00 19.79 C +ATOM 2649 C ALA A 342 3.741 -9.429 16.651 1.00 20.42 C +ATOM 2650 O ALA A 342 3.540 -9.133 17.848 1.00 20.16 O +ATOM 2651 CB ALA A 342 5.527 -11.017 15.993 1.00 18.12 C +ATOM 2652 N VAL A 343 3.869 -8.531 15.703 1.00 20.75 N +ATOM 2653 CA VAL A 343 3.610 -7.087 15.942 1.00 20.41 C +ATOM 2654 C VAL A 343 2.132 -6.892 16.283 1.00 19.97 C +ATOM 2655 O VAL A 343 1.777 -6.060 17.156 1.00 19.84 O +ATOM 2656 CB VAL A 343 4.180 -6.277 14.754 1.00 20.57 C +ATOM 2657 CG1 VAL A 343 3.707 -4.814 14.841 1.00 20.75 C +ATOM 2658 CG2 VAL A 343 5.704 -6.323 14.703 1.00 18.69 C +ATOM 2659 N ARG A 344 1.244 -7.673 15.720 1.00 20.27 N +ATOM 2660 CA ARG A 344 -0.189 -7.540 16.051 1.00 22.58 C +ATOM 2661 C ARG A 344 -0.385 -7.745 17.553 1.00 22.64 C +ATOM 2662 O ARG A 344 -0.985 -6.961 18.304 1.00 22.17 O +ATOM 2663 CB ARG A 344 -1.070 -8.411 15.195 1.00 23.90 C +ATOM 2664 CG ARG A 344 -2.511 -8.477 15.694 1.00 28.13 C +ATOM 2665 CD ARG A 344 -3.485 -8.161 14.675 1.00 32.95 C +ATOM 2666 NE ARG A 344 -4.060 -9.182 13.873 1.00 37.83 N +ATOM 2667 CZ ARG A 344 -3.772 -9.513 12.618 1.00 41.52 C +ATOM 2668 NH1 ARG A 344 -2.786 -8.933 11.929 1.00 42.62 N +ATOM 2669 NH2 ARG A 344 -4.466 -10.478 11.979 1.00 44.05 N +ATOM 2670 N THR A 345 0.232 -8.832 18.008 1.00 23.16 N +ATOM 2671 CA THR A 345 0.211 -9.226 19.423 1.00 22.26 C +ATOM 2672 C THR A 345 0.915 -8.217 20.278 1.00 20.53 C +ATOM 2673 O THR A 345 0.324 -7.797 21.292 1.00 22.20 O +ATOM 2674 CB THR A 345 0.767 -10.694 19.634 1.00 22.83 C +ATOM 2675 OG1 THR A 345 -0.164 -11.549 18.898 1.00 23.69 O +ATOM 2676 CG2 THR A 345 0.837 -11.113 21.101 1.00 22.50 C +ATOM 2677 N ALA A 346 2.090 -7.773 19.961 1.00 19.87 N +ATOM 2678 CA ALA A 346 2.815 -6.794 20.752 1.00 19.65 C +ATOM 2679 C ALA A 346 1.996 -5.538 21.031 1.00 21.10 C +ATOM 2680 O ALA A 346 2.044 -4.991 22.148 1.00 21.76 O +ATOM 2681 CB ALA A 346 4.155 -6.407 20.115 1.00 18.82 C +ATOM 2682 N VAL A 347 1.282 -5.061 20.021 1.00 21.80 N +ATOM 2683 CA VAL A 347 0.527 -3.807 20.181 1.00 22.46 C +ATOM 2684 C VAL A 347 -0.706 -3.984 21.046 1.00 22.77 C +ATOM 2685 O VAL A 347 -0.964 -3.109 21.905 1.00 22.41 O +ATOM 2686 CB VAL A 347 0.293 -3.090 18.835 1.00 22.19 C +ATOM 2687 CG1 VAL A 347 -0.614 -1.863 18.995 1.00 21.50 C +ATOM 2688 CG2 VAL A 347 1.590 -2.626 18.184 1.00 21.25 C +ATOM 2689 N ILE A 348 -1.454 -5.040 20.824 1.00 23.64 N +ATOM 2690 CA ILE A 348 -2.683 -5.271 21.620 1.00 24.52 C +ATOM 2691 C ILE A 348 -2.297 -5.486 23.083 1.00 24.40 C +ATOM 2692 O ILE A 348 -3.040 -5.073 23.958 1.00 25.73 O +ATOM 2693 CB ILE A 348 -3.550 -6.430 21.056 1.00 25.06 C +ATOM 2694 CG1 ILE A 348 -4.337 -6.088 19.778 1.00 25.20 C +ATOM 2695 CG2 ILE A 348 -4.537 -6.960 22.134 1.00 26.57 C +ATOM 2696 CD1 ILE A 348 -3.818 -4.900 18.934 1.00 27.84 C +ATOM 2697 N ASN A 349 -1.165 -6.089 23.335 1.00 24.62 N +ATOM 2698 CA ASN A 349 -0.651 -6.414 24.644 1.00 23.42 C +ATOM 2699 C ASN A 349 -0.189 -5.176 25.362 1.00 23.43 C +ATOM 2700 O ASN A 349 -0.567 -5.074 26.534 1.00 23.96 O +ATOM 2701 CB ASN A 349 0.417 -7.507 24.652 1.00 24.50 C +ATOM 2702 CG ASN A 349 -0.177 -8.902 24.484 1.00 24.78 C +ATOM 2703 OD1 ASN A 349 -1.384 -9.118 24.312 1.00 23.45 O +ATOM 2704 ND2 ASN A 349 0.749 -9.868 24.468 1.00 25.68 N +ATOM 2705 N ALA A 350 0.601 -4.366 24.707 1.00 23.54 N +ATOM 2706 CA ALA A 350 1.093 -3.128 25.294 1.00 24.91 C +ATOM 2707 C ALA A 350 -0.058 -2.154 25.565 1.00 26.39 C +ATOM 2708 O ALA A 350 0.016 -1.379 26.526 1.00 27.53 O +ATOM 2709 CB ALA A 350 2.165 -2.447 24.450 1.00 23.50 C +ATOM 2710 N ALA A 351 -1.047 -2.160 24.729 1.00 28.87 N +ATOM 2711 CA ALA A 351 -2.215 -1.298 24.739 1.00 31.67 C +ATOM 2712 C ALA A 351 -3.204 -1.614 25.858 1.00 33.28 C +ATOM 2713 O ALA A 351 -3.850 -0.684 26.376 1.00 34.67 O +ATOM 2714 CB ALA A 351 -2.991 -1.366 23.407 1.00 31.04 C +ATOM 2715 N SER A 352 -3.338 -2.881 26.126 1.00 34.40 N +ATOM 2716 CA SER A 352 -4.223 -3.409 27.149 1.00 36.03 C +ATOM 2717 C SER A 352 -3.524 -3.569 28.484 1.00 37.23 C +ATOM 2718 O SER A 352 -4.153 -4.142 29.395 1.00 39.13 O +ATOM 2719 CB SER A 352 -4.812 -4.752 26.687 1.00 37.12 C +ATOM 2720 OG SER A 352 -3.814 -5.756 26.614 1.00 37.75 O +ATOM 2721 N GLY A 353 -2.294 -3.152 28.664 1.00 37.48 N +ATOM 2722 CA GLY A 353 -1.538 -3.251 29.891 1.00 37.54 C +ATOM 2723 C GLY A 353 -1.007 -4.645 30.204 1.00 38.10 C +ATOM 2724 O GLY A 353 -0.187 -4.817 31.137 1.00 38.07 O +ATOM 2725 N ARG A 354 -1.455 -5.620 29.455 1.00 38.98 N +ATOM 2726 CA ARG A 354 -1.058 -7.037 29.590 1.00 39.67 C +ATOM 2727 C ARG A 354 0.458 -7.195 29.570 1.00 38.66 C +ATOM 2728 O ARG A 354 0.974 -8.190 30.143 1.00 39.18 O +ATOM 2729 CB ARG A 354 -1.767 -7.914 28.578 1.00 42.62 C +ATOM 2730 CG ARG A 354 -2.009 -9.380 28.839 1.00 47.62 C +ATOM 2731 CD ARG A 354 -3.240 -9.934 28.184 1.00 51.53 C +ATOM 2732 NE ARG A 354 -4.498 -9.463 28.748 1.00 56.21 N +ATOM 2733 CZ ARG A 354 -5.774 -9.772 28.504 1.00 56.98 C +ATOM 2734 NH1 ARG A 354 -6.153 -10.658 27.569 1.00 56.73 N +ATOM 2735 NH2 ARG A 354 -6.769 -9.186 29.197 1.00 56.65 N +ATOM 2736 N GLN A 355 1.187 -6.253 28.983 1.00 35.98 N +ATOM 2737 CA GLN A 355 2.671 -6.331 28.946 1.00 33.67 C +ATOM 2738 C GLN A 355 3.192 -4.909 28.807 1.00 32.55 C +ATOM 2739 O GLN A 355 2.396 -4.051 28.395 1.00 33.69 O +ATOM 2740 CB GLN A 355 3.127 -7.194 27.790 1.00 33.47 C +ATOM 2741 CG GLN A 355 4.217 -8.194 28.050 1.00 34.10 C +ATOM 2742 CD GLN A 355 4.467 -9.054 26.833 1.00 35.38 C +ATOM 2743 OE1 GLN A 355 3.566 -9.193 25.993 1.00 37.00 O +ATOM 2744 NE2 GLN A 355 5.678 -9.597 26.706 1.00 35.44 N +ATOM 2745 N THR A 356 4.423 -4.641 29.157 1.00 31.00 N +ATOM 2746 CA THR A 356 5.018 -3.311 29.021 1.00 30.03 C +ATOM 2747 C THR A 356 5.522 -3.180 27.570 1.00 29.61 C +ATOM 2748 O THR A 356 5.546 -4.188 26.839 1.00 29.53 O +ATOM 2749 CB THR A 356 6.172 -3.011 30.035 1.00 30.02 C +ATOM 2750 OG1 THR A 356 7.325 -3.806 29.631 1.00 28.90 O +ATOM 2751 CG2 THR A 356 5.785 -3.261 31.496 1.00 30.64 C +ATOM 2752 N VAL A 357 5.901 -1.976 27.201 1.00 28.81 N +ATOM 2753 CA VAL A 357 6.379 -1.668 25.851 1.00 27.35 C +ATOM 2754 C VAL A 357 7.680 -2.421 25.571 1.00 28.04 C +ATOM 2755 O VAL A 357 7.839 -3.084 24.542 1.00 26.74 O +ATOM 2756 CB VAL A 357 6.382 -0.158 25.588 1.00 24.47 C +ATOM 2757 CG1 VAL A 357 7.126 0.216 24.318 1.00 21.91 C +ATOM 2758 CG2 VAL A 357 4.927 0.320 25.503 1.00 23.58 C +ATOM 2759 N ASP A 358 8.572 -2.294 26.514 1.00 30.09 N +ATOM 2760 CA ASP A 358 9.875 -2.961 26.466 1.00 32.42 C +ATOM 2761 C ASP A 358 9.711 -4.481 26.302 1.00 31.97 C +ATOM 2762 O ASP A 358 10.496 -5.080 25.553 1.00 31.98 O +ATOM 2763 CB ASP A 358 10.666 -2.587 27.722 1.00 35.92 C +ATOM 2764 CG ASP A 358 10.745 -1.085 27.882 1.00 40.70 C +ATOM 2765 OD1 ASP A 358 11.570 -0.524 27.127 1.00 43.43 O +ATOM 2766 OD2 ASP A 358 10.007 -0.455 28.674 1.00 44.57 O +ATOM 2767 N GLU A 359 8.770 -5.061 26.988 1.00 31.20 N +ATOM 2768 CA GLU A 359 8.452 -6.476 27.016 1.00 31.07 C +ATOM 2769 C GLU A 359 7.777 -6.945 25.741 1.00 28.90 C +ATOM 2770 O GLU A 359 8.174 -7.935 25.110 1.00 27.68 O +ATOM 2771 CB GLU A 359 7.470 -6.838 28.142 1.00 34.64 C +ATOM 2772 CG GLU A 359 7.855 -6.824 29.595 1.00 40.11 C +ATOM 2773 CD GLU A 359 6.820 -6.884 30.695 1.00 42.50 C +ATOM 2774 OE1 GLU A 359 5.685 -7.312 30.352 1.00 42.59 O +ATOM 2775 OE2 GLU A 359 7.056 -6.553 31.872 1.00 42.58 O +ATOM 2776 N ALA A 360 6.704 -6.242 25.418 1.00 26.69 N +ATOM 2777 CA ALA A 360 5.895 -6.512 24.223 1.00 25.03 C +ATOM 2778 C ALA A 360 6.744 -6.535 22.949 1.00 23.30 C +ATOM 2779 O ALA A 360 6.549 -7.433 22.124 1.00 23.17 O +ATOM 2780 CB ALA A 360 4.771 -5.481 24.070 1.00 23.72 C +ATOM 2781 N LEU A 361 7.644 -5.570 22.813 1.00 22.80 N +ATOM 2782 CA LEU A 361 8.472 -5.491 21.614 1.00 22.41 C +ATOM 2783 C LEU A 361 9.623 -6.470 21.664 1.00 23.41 C +ATOM 2784 O LEU A 361 9.956 -6.998 20.591 1.00 23.56 O +ATOM 2785 CB LEU A 361 8.904 -4.080 21.252 1.00 20.85 C +ATOM 2786 CG LEU A 361 7.799 -3.081 20.872 1.00 19.58 C +ATOM 2787 CD1 LEU A 361 8.398 -1.696 20.869 1.00 18.89 C +ATOM 2788 CD2 LEU A 361 7.173 -3.448 19.542 1.00 16.98 C +ATOM 2789 N LYS A 362 10.188 -6.656 22.832 1.00 24.79 N +ATOM 2790 CA LYS A 362 11.313 -7.625 22.967 1.00 26.64 C +ATOM 2791 C LYS A 362 10.812 -8.984 22.480 1.00 26.64 C +ATOM 2792 O LYS A 362 11.512 -9.615 21.665 1.00 27.30 O +ATOM 2793 CB LYS A 362 11.808 -7.682 24.388 1.00 29.03 C +ATOM 2794 CG LYS A 362 12.980 -8.582 24.736 1.00 32.39 C +ATOM 2795 CD LYS A 362 12.561 -9.594 25.812 1.00 35.21 C +ATOM 2796 CE LYS A 362 11.975 -10.850 25.170 1.00 36.66 C +ATOM 2797 NZ LYS A 362 11.118 -11.564 26.154 1.00 37.14 N +ATOM 2798 N ASP A 363 9.639 -9.415 22.882 1.00 25.98 N +ATOM 2799 CA ASP A 363 9.013 -10.656 22.511 1.00 26.50 C +ATOM 2800 C ASP A 363 8.787 -10.788 20.999 1.00 26.21 C +ATOM 2801 O ASP A 363 9.055 -11.836 20.414 1.00 26.75 O +ATOM 2802 CB ASP A 363 7.671 -10.875 23.205 1.00 29.33 C +ATOM 2803 CG ASP A 363 7.775 -11.343 24.633 1.00 33.10 C +ATOM 2804 OD1 ASP A 363 8.882 -11.286 25.204 1.00 35.62 O +ATOM 2805 OD2 ASP A 363 6.723 -11.746 25.175 1.00 34.54 O +ATOM 2806 N ALA A 364 8.192 -9.765 20.432 1.00 25.29 N +ATOM 2807 CA ALA A 364 7.884 -9.736 18.995 1.00 24.17 C +ATOM 2808 C ALA A 364 9.173 -9.866 18.193 1.00 23.18 C +ATOM 2809 O ALA A 364 9.202 -10.650 17.255 1.00 21.49 O +ATOM 2810 CB ALA A 364 7.096 -8.478 18.662 1.00 24.44 C +ATOM 2811 N GLN A 365 10.180 -9.118 18.564 1.00 24.21 N +ATOM 2812 CA GLN A 365 11.498 -9.154 17.921 1.00 26.18 C +ATOM 2813 C GLN A 365 11.989 -10.618 17.911 1.00 27.66 C +ATOM 2814 O GLN A 365 12.488 -11.138 16.913 1.00 28.07 O +ATOM 2815 CB GLN A 365 12.546 -8.281 18.586 1.00 27.09 C +ATOM 2816 CG GLN A 365 13.932 -8.307 17.995 1.00 27.84 C +ATOM 2817 CD GLN A 365 14.183 -7.416 16.806 1.00 28.82 C +ATOM 2818 OE1 GLN A 365 13.541 -6.390 16.594 1.00 27.93 O +ATOM 2819 NE2 GLN A 365 15.174 -7.803 15.983 1.00 28.93 N +ATOM 2820 N THR A 366 11.842 -11.247 19.055 1.00 28.28 N +ATOM 2821 CA THR A 366 12.215 -12.639 19.278 1.00 29.21 C +ATOM 2822 C THR A 366 11.495 -13.578 18.340 1.00 29.72 C +ATOM 2823 O THR A 366 12.202 -14.379 17.703 1.00 30.59 O +ATOM 2824 CB THR A 366 12.037 -13.000 20.803 1.00 29.08 C +ATOM 2825 OG1 THR A 366 13.191 -12.365 21.435 1.00 31.00 O +ATOM 2826 CG2 THR A 366 11.914 -14.467 21.111 1.00 30.59 C +ATOM 2827 N ARG A 367 10.198 -13.520 18.206 1.00 30.18 N +ATOM 2828 CA ARG A 367 9.439 -14.388 17.333 1.00 32.31 C +ATOM 2829 C ARG A 367 9.680 -14.207 15.845 1.00 33.57 C +ATOM 2830 O ARG A 367 9.304 -15.133 15.081 1.00 34.04 O +ATOM 2831 CB ARG A 367 7.928 -14.189 17.587 1.00 34.56 C +ATOM 2832 CG ARG A 367 7.553 -14.513 19.020 1.00 39.11 C +ATOM 2833 CD ARG A 367 6.168 -14.106 19.358 1.00 43.21 C +ATOM 2834 NE ARG A 367 6.082 -13.532 20.695 1.00 48.22 N +ATOM 2835 CZ ARG A 367 5.514 -14.095 21.762 1.00 49.51 C +ATOM 2836 NH1 ARG A 367 4.929 -15.289 21.665 1.00 49.79 N +ATOM 2837 NH2 ARG A 367 5.516 -13.455 22.942 1.00 50.57 N +ATOM 2838 N ILE A 368 10.199 -13.048 15.430 1.00 33.93 N +ATOM 2839 CA ILE A 368 10.440 -12.727 14.024 1.00 33.32 C +ATOM 2840 C ILE A 368 11.794 -13.294 13.549 1.00 34.06 C +ATOM 2841 O ILE A 368 11.876 -13.824 12.440 1.00 33.94 O +ATOM 2842 CB ILE A 368 10.400 -11.195 13.663 1.00 31.69 C +ATOM 2843 CG1 ILE A 368 9.163 -10.447 14.202 1.00 29.79 C +ATOM 2844 CG2 ILE A 368 10.516 -10.969 12.122 1.00 29.88 C +ATOM 2845 CD1 ILE A 368 7.847 -11.138 13.830 1.00 29.73 C +ATOM 2846 N THR A 369 12.795 -13.084 14.367 1.00 34.81 N +ATOM 2847 CA THR A 369 14.172 -13.498 14.126 1.00 36.71 C +ATOM 2848 C THR A 369 14.425 -14.926 14.635 1.00 39.41 C +ATOM 2849 O THR A 369 15.590 -15.345 14.669 1.00 40.66 O +ATOM 2850 CB THR A 369 15.194 -12.496 14.793 1.00 34.83 C +ATOM 2851 OG1 THR A 369 14.909 -12.578 16.225 1.00 32.76 O +ATOM 2852 CG2 THR A 369 15.125 -11.060 14.289 1.00 34.14 C +ATOM 2853 N LYS A 370 13.375 -15.590 15.054 1.00 42.01 N +ATOM 2854 CA LYS A 370 13.339 -16.969 15.570 1.00 44.26 C +ATOM 2855 C LYS A 370 13.504 -17.915 14.369 1.00 46.19 C +ATOM 2856 O LYS A 370 12.640 -18.817 14.228 1.00 48.45 O +ATOM 2857 CB LYS A 370 12.015 -17.276 16.246 1.00 43.89 C +ATOM 2858 CG LYS A 370 11.823 -18.536 17.054 1.00 44.72 C +ATOM 2859 CD LYS A 370 12.472 -18.453 18.431 1.00 47.02 C +ATOM 2860 CE LYS A 370 12.764 -19.760 19.122 1.00 46.79 C +ATOM 2861 NZ LYS A 370 13.875 -20.513 18.478 1.00 46.84 N +ATOM 2862 OXT LYS A 370 14.440 -17.721 13.568 1.00 48.34 O +TER 2863 LYS A 370 +END diff --git a/bench/main_benchmark/structures/SFB_AL_MBP_1OMPA_1ANFA/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_MBP_1OMPA_1ANFA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4bec2edc5503d930ecd5cdf5d2d3e7e4ed03bd75 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_MBP_1OMPA_1ANFA/state_b.pdb @@ -0,0 +1,2862 @@ +ATOM 1 N LYS A 1 -12.621 27.691 51.154 1.00 87.40 N +ATOM 2 CA LYS A 1 -12.341 26.198 51.153 1.00 87.46 C +ATOM 3 C LYS A 1 -12.865 25.547 49.864 1.00 86.45 C +ATOM 4 O LYS A 1 -12.310 24.601 49.210 1.00 86.78 O +ATOM 5 CB LYS A 1 -12.846 25.664 52.487 1.00 87.70 C +ATOM 6 N ILE A 2 -13.989 26.145 49.466 1.00 85.10 N +ATOM 7 CA ILE A 2 -14.831 25.957 48.307 1.00 82.24 C +ATOM 8 C ILE A 2 -15.288 24.505 48.119 1.00 80.03 C +ATOM 9 O ILE A 2 -16.020 23.932 48.985 1.00 79.86 O +ATOM 10 CB ILE A 2 -14.071 26.497 47.059 1.00 81.04 C +ATOM 11 N GLU A 3 -14.808 24.006 46.994 1.00 75.95 N +ATOM 12 CA GLU A 3 -15.046 22.628 46.522 1.00 72.52 C +ATOM 13 C GLU A 3 -16.516 22.334 46.292 1.00 69.04 C +ATOM 14 O GLU A 3 -17.058 22.773 45.193 1.00 69.11 O +ATOM 15 CB GLU A 3 -14.129 21.719 47.409 1.00 71.61 C +ATOM 16 N GLU A 4 -17.299 21.618 47.069 1.00 65.36 N +ATOM 17 CA GLU A 4 -18.714 21.389 46.782 1.00 61.45 C +ATOM 18 C GLU A 4 -19.341 20.296 47.651 1.00 59.14 C +ATOM 19 O GLU A 4 -19.659 20.537 48.853 1.00 58.76 O +ATOM 20 CB GLU A 4 -18.813 20.983 45.297 1.00 63.88 C +ATOM 21 N GLY A 5 -19.530 19.202 46.959 1.00 55.20 N +ATOM 22 CA GLY A 5 -19.972 17.870 47.059 1.00 52.46 C +ATOM 23 C GLY A 5 -19.601 16.960 45.855 1.00 51.64 C +ATOM 24 O GLY A 5 -20.237 16.004 45.374 1.00 51.78 O +ATOM 25 N LYS A 6 -18.451 17.258 45.287 1.00 50.87 N +ATOM 26 CA LYS A 6 -17.744 16.609 44.186 1.00 47.41 C +ATOM 27 C LYS A 6 -16.265 16.450 44.595 1.00 44.94 C +ATOM 28 O LYS A 6 -15.984 16.785 45.788 1.00 43.59 O +ATOM 29 CB LYS A 6 -17.920 17.463 42.947 1.00 49.52 C +ATOM 30 CG LYS A 6 -16.885 18.598 42.990 1.00 52.46 C +ATOM 31 CD LYS A 6 -16.480 18.938 41.561 1.00 55.20 C +ATOM 32 CE LYS A 6 -17.132 20.225 41.086 1.00 56.45 C +ATOM 33 NZ LYS A 6 -16.020 21.174 40.677 1.00 58.97 N +ATOM 34 N LEU A 7 -15.433 15.892 43.728 1.00 42.30 N +ATOM 35 CA LEU A 7 -13.991 15.630 43.823 1.00 39.10 C +ATOM 36 C LEU A 7 -13.205 16.243 42.650 1.00 36.75 C +ATOM 37 O LEU A 7 -13.505 16.057 41.481 1.00 36.60 O +ATOM 38 CB LEU A 7 -13.634 14.136 43.943 1.00 37.45 C +ATOM 39 CG LEU A 7 -14.166 13.362 45.106 1.00 39.28 C +ATOM 40 CD1 LEU A 7 -13.737 11.918 45.219 1.00 38.12 C +ATOM 41 CD2 LEU A 7 -13.664 14.066 46.403 1.00 41.04 C +ATOM 42 N VAL A 8 -12.187 17.031 42.859 1.00 34.90 N +ATOM 43 CA VAL A 8 -11.288 17.626 41.815 1.00 31.67 C +ATOM 44 C VAL A 8 -9.882 17.091 42.169 1.00 31.15 C +ATOM 45 O VAL A 8 -9.462 17.109 43.371 1.00 28.51 O +ATOM 46 CB VAL A 8 -11.578 19.114 41.813 1.00 31.66 C +ATOM 47 CG1 VAL A 8 -10.646 20.020 41.013 1.00 29.62 C +ATOM 48 CG2 VAL A 8 -13.007 19.352 41.412 1.00 33.16 C +ATOM 49 N ILE A 9 -9.209 16.495 41.229 1.00 29.62 N +ATOM 50 CA ILE A 9 -7.899 15.891 41.393 1.00 28.07 C +ATOM 51 C ILE A 9 -6.925 16.579 40.475 1.00 25.92 C +ATOM 52 O ILE A 9 -7.226 16.877 39.358 1.00 25.70 O +ATOM 53 CB ILE A 9 -7.856 14.357 41.062 1.00 29.29 C +ATOM 54 CG1 ILE A 9 -8.904 13.659 41.998 1.00 31.89 C +ATOM 55 CG2 ILE A 9 -6.440 13.757 41.181 1.00 25.82 C +ATOM 56 CD1 ILE A 9 -9.486 12.274 41.659 1.00 29.23 C +ATOM 57 N TRP A 10 -5.764 16.816 41.028 1.00 24.98 N +ATOM 58 CA TRP A 10 -4.622 17.406 40.266 1.00 26.18 C +ATOM 59 C TRP A 10 -3.477 16.376 40.225 1.00 25.37 C +ATOM 60 O TRP A 10 -3.146 15.838 41.332 1.00 22.91 O +ATOM 61 CB TRP A 10 -4.127 18.682 40.851 1.00 27.81 C +ATOM 62 CG TRP A 10 -5.026 19.871 40.629 1.00 31.09 C +ATOM 63 CD1 TRP A 10 -6.343 20.013 40.219 1.00 29.15 C +ATOM 64 CD2 TRP A 10 -4.518 21.183 40.962 1.00 30.43 C +ATOM 65 NE1 TRP A 10 -6.664 21.356 40.229 1.00 32.09 N +ATOM 66 CE2 TRP A 10 -5.578 22.077 40.648 1.00 32.07 C +ATOM 67 CE3 TRP A 10 -3.311 21.602 41.524 1.00 30.41 C +ATOM 68 CZ2 TRP A 10 -5.379 23.434 40.869 1.00 34.46 C +ATOM 69 CZ3 TRP A 10 -3.101 22.952 41.739 1.00 28.99 C +ATOM 70 CH2 TRP A 10 -4.088 23.834 41.363 1.00 31.93 C +ATOM 71 N ILE A 11 -3.012 16.060 39.014 1.00 22.92 N +ATOM 72 CA ILE A 11 -1.912 15.068 38.860 1.00 20.90 C +ATOM 73 C ILE A 11 -1.049 15.651 37.758 1.00 21.05 C +ATOM 74 O ILE A 11 -1.514 16.506 37.026 1.00 23.35 O +ATOM 75 CB ILE A 11 -2.545 13.679 38.583 1.00 19.59 C +ATOM 76 CG1 ILE A 11 -1.444 12.650 38.426 1.00 21.24 C +ATOM 77 CG2 ILE A 11 -3.380 13.755 37.310 1.00 24.06 C +ATOM 78 CD1 ILE A 11 -1.834 11.172 38.530 1.00 23.01 C +ATOM 79 N ASN A 12 0.207 15.395 37.691 1.00 22.27 N +ATOM 80 CA ASN A 12 1.192 15.821 36.714 1.00 21.93 C +ATOM 81 C ASN A 12 0.771 15.179 35.360 1.00 23.41 C +ATOM 82 O ASN A 12 0.235 14.074 35.194 1.00 24.07 O +ATOM 83 CB ASN A 12 2.636 15.476 37.061 1.00 20.71 C +ATOM 84 CG ASN A 12 3.544 16.517 36.370 1.00 23.03 C +ATOM 85 OD1 ASN A 12 3.174 17.701 36.311 1.00 26.41 O +ATOM 86 ND2 ASN A 12 4.723 16.170 35.940 1.00 23.71 N +ATOM 87 N GLY A 13 1.121 15.974 34.373 1.00 22.90 N +ATOM 88 CA GLY A 13 0.873 15.748 32.971 1.00 25.54 C +ATOM 89 C GLY A 13 1.610 14.531 32.429 1.00 25.45 C +ATOM 90 O GLY A 13 1.055 14.041 31.415 1.00 25.69 O +ATOM 91 N ASP A 14 2.724 14.120 33.075 1.00 22.83 N +ATOM 92 CA ASP A 14 3.387 12.920 32.595 1.00 22.35 C +ATOM 93 C ASP A 14 2.817 11.618 33.199 1.00 22.69 C +ATOM 94 O ASP A 14 3.325 10.556 32.783 1.00 24.80 O +ATOM 95 CB ASP A 14 4.919 13.055 32.811 1.00 23.85 C +ATOM 96 CG ASP A 14 5.269 13.270 34.283 1.00 25.78 C +ATOM 97 OD1 ASP A 14 4.326 13.325 35.094 1.00 21.27 O +ATOM 98 OD2 ASP A 14 6.468 13.454 34.625 1.00 27.63 O +ATOM 99 N LYS A 15 1.748 11.621 33.974 1.00 20.08 N +ATOM 100 CA LYS A 15 1.187 10.437 34.615 1.00 21.33 C +ATOM 101 C LYS A 15 -0.058 9.987 33.887 1.00 20.90 C +ATOM 102 O LYS A 15 -0.584 10.797 33.113 1.00 19.17 O +ATOM 103 CB LYS A 15 0.916 10.766 36.160 1.00 16.97 C +ATOM 104 CG LYS A 15 2.112 11.574 36.829 1.00 16.21 C +ATOM 105 CD LYS A 15 3.294 10.615 36.574 1.00 18.66 C +ATOM 106 CE LYS A 15 4.338 10.472 37.605 1.00 19.34 C +ATOM 107 NZ LYS A 15 5.097 11.684 37.729 1.00 23.84 N +ATOM 108 N GLY A 16 -0.632 8.797 34.189 1.00 22.97 N +ATOM 109 CA GLY A 16 -1.825 8.421 33.448 1.00 24.44 C +ATOM 110 C GLY A 16 -3.110 8.966 34.013 1.00 26.25 C +ATOM 111 O GLY A 16 -3.995 8.283 34.640 1.00 26.82 O +ATOM 112 N TYR A 17 -3.301 10.272 33.730 1.00 28.41 N +ATOM 113 CA TYR A 17 -4.499 11.014 34.121 1.00 27.27 C +ATOM 114 C TYR A 17 -5.729 10.473 33.399 1.00 29.24 C +ATOM 115 O TYR A 17 -6.861 10.615 33.954 1.00 32.36 O +ATOM 116 CB TYR A 17 -4.311 12.515 33.900 1.00 28.29 C +ATOM 117 CG TYR A 17 -3.775 12.958 32.579 1.00 26.73 C +ATOM 118 CD1 TYR A 17 -4.721 13.135 31.554 1.00 30.37 C +ATOM 119 CD2 TYR A 17 -2.488 13.347 32.321 1.00 29.24 C +ATOM 120 CE1 TYR A 17 -4.357 13.643 30.309 1.00 27.34 C +ATOM 121 CE2 TYR A 17 -2.074 13.825 31.060 1.00 30.71 C +ATOM 122 CZ TYR A 17 -3.031 13.938 30.057 1.00 30.99 C +ATOM 123 OH TYR A 17 -2.749 14.415 28.771 1.00 33.39 O +ATOM 124 N ASN A 18 -5.581 9.852 32.216 1.00 28.96 N +ATOM 125 CA ASN A 18 -6.817 9.297 31.595 1.00 29.37 C +ATOM 126 C ASN A 18 -7.081 8.001 32.377 1.00 29.76 C +ATOM 127 O ASN A 18 -8.272 7.779 32.633 1.00 31.92 O +ATOM 128 CB ASN A 18 -6.738 9.196 30.080 1.00 29.90 C +ATOM 129 CG ASN A 18 -6.781 10.499 29.351 1.00 30.67 C +ATOM 130 OD1 ASN A 18 -6.031 10.844 28.439 1.00 33.03 O +ATOM 131 ND2 ASN A 18 -7.597 11.464 29.807 1.00 35.38 N +ATOM 132 N GLY A 19 -6.146 7.157 32.816 1.00 27.54 N +ATOM 133 CA GLY A 19 -6.523 6.007 33.584 1.00 26.01 C +ATOM 134 C GLY A 19 -7.258 6.452 34.844 1.00 25.64 C +ATOM 135 O GLY A 19 -8.164 5.768 35.373 1.00 25.49 O +ATOM 136 N LEU A 20 -6.754 7.525 35.399 1.00 25.51 N +ATOM 137 CA LEU A 20 -7.281 8.121 36.667 1.00 27.47 C +ATOM 138 C LEU A 20 -8.708 8.566 36.419 1.00 28.32 C +ATOM 139 O LEU A 20 -9.512 8.237 37.285 1.00 30.79 O +ATOM 140 CB LEU A 20 -6.335 9.204 37.314 1.00 25.82 C +ATOM 141 CG LEU A 20 -6.772 9.764 38.717 1.00 27.48 C +ATOM 142 CD1 LEU A 20 -6.867 8.694 39.754 1.00 24.39 C +ATOM 143 CD2 LEU A 20 -5.797 10.844 39.144 1.00 26.48 C +ATOM 144 N ALA A 21 -8.985 9.269 35.378 1.00 31.50 N +ATOM 145 CA ALA A 21 -10.320 9.674 34.936 1.00 33.85 C +ATOM 146 C ALA A 21 -11.226 8.452 34.762 1.00 37.10 C +ATOM 147 O ALA A 21 -12.414 8.612 35.224 1.00 38.89 O +ATOM 148 CB ALA A 21 -10.253 10.485 33.655 1.00 34.38 C +ATOM 149 N GLU A 22 -10.835 7.290 34.265 1.00 37.84 N +ATOM 150 CA GLU A 22 -11.620 6.057 34.117 1.00 38.63 C +ATOM 151 C GLU A 22 -11.995 5.543 35.496 1.00 39.37 C +ATOM 152 O GLU A 22 -13.028 4.851 35.781 1.00 38.99 O +ATOM 153 CB GLU A 22 -10.933 4.924 33.358 1.00 44.36 C +ATOM 154 CG GLU A 22 -10.322 5.082 31.972 1.00 52.64 C +ATOM 155 CD GLU A 22 -9.165 4.213 31.486 1.00 57.81 C +ATOM 156 OE1 GLU A 22 -9.075 3.012 31.846 1.00 61.61 O +ATOM 157 OE2 GLU A 22 -8.277 4.705 30.656 1.00 56.89 O +ATOM 158 N VAL A 23 -11.077 5.791 36.448 1.00 37.01 N +ATOM 159 CA VAL A 23 -11.375 5.411 37.822 1.00 37.32 C +ATOM 160 C VAL A 23 -12.341 6.425 38.421 1.00 38.16 C +ATOM 161 O VAL A 23 -13.289 6.027 39.139 1.00 40.42 O +ATOM 162 CB VAL A 23 -10.088 5.170 38.645 1.00 36.43 C +ATOM 163 CG1 VAL A 23 -10.510 4.728 40.081 1.00 34.87 C +ATOM 164 CG2 VAL A 23 -9.195 4.304 37.828 1.00 31.98 C +ATOM 165 N GLY A 24 -12.275 7.706 38.171 1.00 38.13 N +ATOM 166 CA GLY A 24 -13.301 8.585 38.731 1.00 39.86 C +ATOM 167 C GLY A 24 -14.716 8.186 38.304 1.00 41.89 C +ATOM 168 O GLY A 24 -15.716 8.293 39.023 1.00 41.79 O +ATOM 169 N LYS A 25 -14.778 7.749 37.062 1.00 44.67 N +ATOM 170 CA LYS A 25 -15.980 7.351 36.343 1.00 46.41 C +ATOM 171 C LYS A 25 -16.765 6.249 37.009 1.00 45.92 C +ATOM 172 O LYS A 25 -17.992 6.367 36.983 1.00 46.99 O +ATOM 173 CB LYS A 25 -15.739 6.897 34.879 1.00 47.96 C +ATOM 174 CG LYS A 25 -15.733 8.202 34.069 1.00 50.20 C +ATOM 175 CD LYS A 25 -15.846 7.994 32.583 1.00 55.40 C +ATOM 176 CE LYS A 25 -16.630 6.820 32.052 1.00 57.98 C +ATOM 177 NZ LYS A 25 -16.646 6.784 30.534 1.00 58.56 N +ATOM 178 N LYS A 26 -16.096 5.278 37.536 1.00 45.84 N +ATOM 179 CA LYS A 26 -16.853 4.214 38.198 1.00 47.97 C +ATOM 180 C LYS A 26 -16.894 4.634 39.649 1.00 50.69 C +ATOM 181 O LYS A 26 -17.203 3.780 40.539 1.00 54.70 O +ATOM 182 CB LYS A 26 -16.322 2.822 37.883 1.00 46.57 C +ATOM 183 CG LYS A 26 -15.234 2.281 38.738 1.00 47.35 C +ATOM 184 CD LYS A 26 -15.127 0.818 38.861 1.00 51.79 C +ATOM 185 CE LYS A 26 -16.078 0.118 39.827 1.00 54.95 C +ATOM 186 NZ LYS A 26 -17.525 0.505 39.603 1.00 58.04 N +ATOM 187 N PHE A 27 -16.518 5.884 39.968 1.00 49.17 N +ATOM 188 CA PHE A 27 -16.617 6.193 41.436 1.00 47.47 C +ATOM 189 C PHE A 27 -18.061 6.734 41.520 1.00 49.79 C +ATOM 190 O PHE A 27 -18.953 6.417 42.314 1.00 48.83 O +ATOM 191 CB PHE A 27 -15.540 7.136 41.940 1.00 42.14 C +ATOM 192 CG PHE A 27 -15.792 7.593 43.366 1.00 37.02 C +ATOM 193 CD1 PHE A 27 -15.649 6.690 44.410 1.00 36.81 C +ATOM 194 CD2 PHE A 27 -16.157 8.897 43.633 1.00 35.18 C +ATOM 195 CE1 PHE A 27 -15.929 7.034 45.743 1.00 36.23 C +ATOM 196 CE2 PHE A 27 -16.366 9.281 44.953 1.00 32.89 C +ATOM 197 CZ PHE A 27 -16.274 8.381 45.982 1.00 31.41 C +ATOM 198 N GLU A 28 -18.199 7.594 40.510 1.00 51.63 N +ATOM 199 CA GLU A 28 -19.358 8.408 40.199 1.00 55.22 C +ATOM 200 C GLU A 28 -20.653 7.741 39.722 1.00 56.05 C +ATOM 201 O GLU A 28 -21.822 8.128 39.972 1.00 54.35 O +ATOM 202 CB GLU A 28 -18.945 9.386 39.104 1.00 54.62 C +ATOM 203 CG GLU A 28 -20.074 9.733 38.122 1.00 59.09 C +ATOM 204 CD GLU A 28 -19.576 10.855 37.273 1.00 62.34 C +ATOM 205 OE1 GLU A 28 -18.358 11.034 37.600 1.00 68.34 O +ATOM 206 OE2 GLU A 28 -20.132 11.497 36.445 1.00 65.27 O +ATOM 207 N LYS A 29 -20.411 6.693 38.990 1.00 57.70 N +ATOM 208 CA LYS A 29 -21.423 5.799 38.394 1.00 59.47 C +ATOM 209 C LYS A 29 -21.898 4.951 39.573 1.00 59.49 C +ATOM 210 O LYS A 29 -23.021 4.392 39.530 1.00 61.64 O +ATOM 211 CB LYS A 29 -20.793 5.003 37.267 1.00 59.69 C +ATOM 212 CG LYS A 29 -21.508 4.249 36.202 1.00 60.83 C +ATOM 213 CD LYS A 29 -20.691 3.104 35.571 1.00 62.02 C +ATOM 214 CE LYS A 29 -21.596 2.158 34.772 1.00 62.52 C +ATOM 215 NZ LYS A 29 -20.805 1.224 33.938 1.00 62.32 N +ATOM 216 N ASP A 30 -21.071 4.947 40.613 1.00 58.71 N +ATOM 217 CA ASP A 30 -21.409 4.047 41.801 1.00 58.37 C +ATOM 218 C ASP A 30 -21.657 4.907 43.016 1.00 57.60 C +ATOM 219 O ASP A 30 -21.922 4.458 44.175 1.00 58.59 O +ATOM 220 CB ASP A 30 -20.373 2.947 41.776 1.00 59.61 C +ATOM 221 CG ASP A 30 -19.648 2.188 42.790 1.00 59.90 C +ATOM 222 OD1 ASP A 30 -19.749 2.631 43.971 1.00 63.11 O +ATOM 223 OD2 ASP A 30 -18.905 1.165 42.629 1.00 59.45 O +ATOM 224 N THR A 31 -21.696 6.212 42.735 1.00 54.82 N +ATOM 225 CA THR A 31 -21.886 7.060 43.910 1.00 53.63 C +ATOM 226 C THR A 31 -22.646 8.330 43.732 1.00 53.55 C +ATOM 227 O THR A 31 -23.122 8.854 44.778 1.00 56.25 O +ATOM 228 CB THR A 31 -20.358 7.462 44.317 1.00 51.55 C +ATOM 229 OG1 THR A 31 -20.272 7.452 45.740 1.00 49.91 O +ATOM 230 CG2 THR A 31 -20.003 8.781 43.626 1.00 47.77 C +ATOM 231 N GLY A 32 -22.666 8.868 42.542 1.00 51.51 N +ATOM 232 CA GLY A 32 -23.250 10.163 42.263 1.00 51.98 C +ATOM 233 C GLY A 32 -22.287 11.347 42.432 1.00 52.91 C +ATOM 234 O GLY A 32 -22.644 12.559 42.128 1.00 54.34 O +ATOM 235 N ILE A 33 -21.061 11.065 42.966 1.00 50.58 N +ATOM 236 CA ILE A 33 -20.121 12.160 43.122 1.00 48.58 C +ATOM 237 C ILE A 33 -19.304 12.135 41.824 1.00 46.88 C +ATOM 238 O ILE A 33 -18.671 11.081 41.699 1.00 48.28 O +ATOM 239 CB ILE A 33 -19.039 12.115 44.221 1.00 50.17 C +ATOM 240 CG1 ILE A 33 -19.630 12.085 45.653 1.00 50.93 C +ATOM 241 CG2 ILE A 33 -18.071 13.314 44.021 1.00 51.02 C +ATOM 242 CD1 ILE A 33 -20.086 10.599 45.995 1.00 51.53 C +ATOM 243 N LYS A 34 -19.361 13.185 41.080 1.00 45.92 N +ATOM 244 CA LYS A 34 -18.547 13.180 39.865 1.00 45.89 C +ATOM 245 C LYS A 34 -17.117 13.674 40.216 1.00 44.95 C +ATOM 246 O LYS A 34 -16.806 14.678 40.920 1.00 41.15 O +ATOM 247 CB LYS A 34 -19.117 14.059 38.767 1.00 49.13 C +ATOM 248 CG LYS A 34 -18.367 15.403 38.760 1.00 56.49 C +ATOM 249 CD LYS A 34 -19.062 16.564 38.093 1.00 61.90 C +ATOM 250 CE LYS A 34 -20.029 17.360 38.985 1.00 65.71 C +ATOM 251 NZ LYS A 34 -21.411 16.740 39.074 1.00 66.82 N +ATOM 252 N VAL A 35 -16.205 12.938 39.551 1.00 43.61 N +ATOM 253 CA VAL A 35 -14.776 13.307 39.734 1.00 42.37 C +ATOM 254 C VAL A 35 -14.243 14.043 38.531 1.00 42.66 C +ATOM 255 O VAL A 35 -14.602 13.449 37.468 1.00 47.18 O +ATOM 256 CB VAL A 35 -14.016 12.007 40.007 1.00 40.92 C +ATOM 257 CG1 VAL A 35 -12.548 12.383 40.292 1.00 40.88 C +ATOM 258 CG2 VAL A 35 -14.746 11.250 41.091 1.00 37.39 C +ATOM 259 N THR A 36 -13.519 15.116 38.629 1.00 39.49 N +ATOM 260 CA THR A 36 -12.892 15.922 37.634 1.00 38.66 C +ATOM 261 C THR A 36 -11.333 15.794 37.753 1.00 39.37 C +ATOM 262 O THR A 36 -10.790 16.204 38.801 1.00 39.74 O +ATOM 263 CB THR A 36 -13.203 17.469 37.696 1.00 39.53 C +ATOM 264 OG1 THR A 36 -14.639 17.672 37.533 1.00 41.87 O +ATOM 265 CG2 THR A 36 -12.385 18.279 36.675 1.00 38.81 C +ATOM 266 N VAL A 37 -10.588 15.348 36.773 1.00 38.11 N +ATOM 267 CA VAL A 37 -9.151 15.159 36.795 1.00 37.21 C +ATOM 268 C VAL A 37 -8.405 16.224 36.071 1.00 37.58 C +ATOM 269 O VAL A 37 -8.695 16.308 34.862 1.00 40.64 O +ATOM 270 CB VAL A 37 -8.803 13.772 36.187 1.00 36.33 C +ATOM 271 CG1 VAL A 37 -7.342 13.628 35.835 1.00 34.76 C +ATOM 272 CG2 VAL A 37 -9.260 12.703 37.160 1.00 35.47 C +ATOM 273 N GLU A 38 -7.536 17.008 36.705 1.00 37.81 N +ATOM 274 CA GLU A 38 -6.822 18.046 35.929 1.00 37.54 C +ATOM 275 C GLU A 38 -5.322 17.851 36.109 1.00 36.54 C +ATOM 276 O GLU A 38 -5.004 17.236 37.161 1.00 35.30 O +ATOM 277 CB GLU A 38 -7.100 19.475 36.410 1.00 42.10 C +ATOM 278 CG GLU A 38 -8.606 19.621 36.652 1.00 48.97 C +ATOM 279 CD GLU A 38 -9.090 21.021 36.748 1.00 54.04 C +ATOM 280 OE1 GLU A 38 -8.351 21.948 37.040 1.00 58.98 O +ATOM 281 OE2 GLU A 38 -10.310 21.134 36.486 1.00 57.77 O +ATOM 282 N HIS A 39 -4.620 18.377 35.132 1.00 32.21 N +ATOM 283 CA HIS A 39 -3.146 18.326 35.153 1.00 31.14 C +ATOM 284 C HIS A 39 -2.525 19.664 34.788 1.00 31.86 C +ATOM 285 O HIS A 39 -1.823 19.795 33.737 1.00 31.29 O +ATOM 286 CB HIS A 39 -2.518 17.196 34.289 1.00 30.01 C +ATOM 287 CG HIS A 39 -3.069 17.208 32.920 1.00 31.38 C +ATOM 288 ND1 HIS A 39 -2.422 17.787 31.844 1.00 32.40 N +ATOM 289 CD2 HIS A 39 -4.303 16.792 32.483 1.00 32.92 C +ATOM 290 CE1 HIS A 39 -3.228 17.663 30.781 1.00 33.89 C +ATOM 291 NE2 HIS A 39 -4.353 17.064 31.106 1.00 31.74 N +ATOM 292 N PRO A 40 -2.695 20.635 35.698 1.00 32.50 N +ATOM 293 CA PRO A 40 -2.128 21.967 35.495 1.00 32.60 C +ATOM 294 C PRO A 40 -0.641 21.868 35.449 1.00 33.22 C +ATOM 295 O PRO A 40 -0.036 21.008 36.085 1.00 32.04 O +ATOM 296 CB PRO A 40 -2.633 22.838 36.644 1.00 33.52 C +ATOM 297 CG PRO A 40 -3.333 21.912 37.615 1.00 32.90 C +ATOM 298 CD PRO A 40 -3.486 20.572 36.954 1.00 33.56 C +ATOM 299 N ASP A 41 -0.059 22.802 34.710 1.00 36.01 N +ATOM 300 CA ASP A 41 1.436 22.944 34.589 1.00 38.31 C +ATOM 301 C ASP A 41 2.053 23.408 35.910 1.00 35.17 C +ATOM 302 O ASP A 41 1.324 24.217 36.593 1.00 35.53 O +ATOM 303 CB ASP A 41 1.641 23.960 33.450 1.00 47.84 C +ATOM 304 CG ASP A 41 1.500 23.440 32.047 1.00 54.62 C +ATOM 305 OD1 ASP A 41 0.434 23.106 31.476 1.00 59.16 O +ATOM 306 OD2 ASP A 41 2.641 23.384 31.484 1.00 58.65 O +ATOM 307 N LYS A 42 3.232 23.082 36.370 1.00 33.34 N +ATOM 308 CA LYS A 42 3.651 23.612 37.691 1.00 32.73 C +ATOM 309 C LYS A 42 2.669 23.350 38.796 1.00 32.19 C +ATOM 310 O LYS A 42 2.411 24.250 39.676 1.00 32.46 O +ATOM 311 CB LYS A 42 3.597 25.175 37.666 1.00 33.24 C +ATOM 312 CG LYS A 42 5.012 25.630 37.477 1.00 36.74 C +ATOM 313 CD LYS A 42 5.446 25.265 36.082 1.00 39.35 C +ATOM 314 CE LYS A 42 6.976 25.289 36.013 1.00 43.17 C +ATOM 315 NZ LYS A 42 7.392 25.944 34.660 1.00 49.31 N +ATOM 316 N LEU A 43 1.997 22.222 38.782 1.00 31.74 N +ATOM 317 CA LEU A 43 0.944 22.136 39.861 1.00 31.34 C +ATOM 318 C LEU A 43 1.543 22.124 41.272 1.00 31.59 C +ATOM 319 O LEU A 43 0.815 22.450 42.205 1.00 31.22 O +ATOM 320 CB LEU A 43 0.128 20.886 39.547 1.00 31.10 C +ATOM 321 CG LEU A 43 0.703 19.526 39.869 1.00 27.90 C +ATOM 322 CD1 LEU A 43 0.281 19.177 41.272 1.00 29.18 C +ATOM 323 CD2 LEU A 43 0.048 18.543 38.915 1.00 29.24 C +ATOM 324 N GLU A 44 2.776 21.635 41.296 1.00 32.19 N +ATOM 325 CA GLU A 44 3.448 21.420 42.587 1.00 33.24 C +ATOM 326 C GLU A 44 3.793 22.736 43.264 1.00 34.27 C +ATOM 327 O GLU A 44 4.055 22.890 44.405 1.00 30.98 O +ATOM 328 CB GLU A 44 4.752 20.666 42.401 1.00 33.70 C +ATOM 329 CG GLU A 44 5.962 21.332 41.808 1.00 33.18 C +ATOM 330 CD GLU A 44 6.067 21.554 40.329 1.00 35.04 C +ATOM 331 OE1 GLU A 44 4.969 21.525 39.685 1.00 34.36 O +ATOM 332 OE2 GLU A 44 7.190 21.792 39.879 1.00 37.69 O +ATOM 333 N GLU A 45 3.796 23.692 42.374 1.00 35.93 N +ATOM 334 CA GLU A 45 4.027 25.119 42.646 1.00 36.94 C +ATOM 335 C GLU A 45 2.709 25.833 42.796 1.00 36.65 C +ATOM 336 O GLU A 45 2.489 26.624 43.737 1.00 36.65 O +ATOM 337 CB GLU A 45 4.782 25.472 41.402 1.00 41.66 C +ATOM 338 CG GLU A 45 4.826 26.869 40.956 1.00 46.66 C +ATOM 339 CD GLU A 45 6.322 27.206 40.772 1.00 51.81 C +ATOM 340 OE1 GLU A 45 7.034 26.156 40.908 1.00 50.62 O +ATOM 341 OE2 GLU A 45 6.426 28.432 40.554 1.00 54.95 O +ATOM 342 N LYS A 46 1.758 25.547 41.913 1.00 36.02 N +ATOM 343 CA LYS A 46 0.466 26.160 41.953 1.00 35.83 C +ATOM 344 C LYS A 46 -0.230 25.690 43.197 1.00 36.24 C +ATOM 345 O LYS A 46 -0.981 26.527 43.707 1.00 38.78 O +ATOM 346 CB LYS A 46 -0.459 25.800 40.789 1.00 41.42 C +ATOM 347 CG LYS A 46 -0.207 26.535 39.472 1.00 48.85 C +ATOM 348 CD LYS A 46 1.097 27.346 39.521 1.00 55.09 C +ATOM 349 CE LYS A 46 1.573 28.134 38.286 1.00 56.83 C +ATOM 350 NZ LYS A 46 2.666 29.121 38.737 1.00 56.90 N +ATOM 351 N PHE A 47 -0.127 24.451 43.673 1.00 34.63 N +ATOM 352 CA PHE A 47 -0.920 24.037 44.822 1.00 32.93 C +ATOM 353 C PHE A 47 -0.864 24.921 46.075 1.00 35.37 C +ATOM 354 O PHE A 47 -1.919 25.259 46.679 1.00 33.33 O +ATOM 355 CB PHE A 47 -0.636 22.545 45.199 1.00 30.79 C +ATOM 356 CG PHE A 47 -1.468 22.035 46.357 1.00 26.75 C +ATOM 357 CD1 PHE A 47 -2.843 21.842 46.245 1.00 27.45 C +ATOM 358 CD2 PHE A 47 -0.892 21.852 47.596 1.00 26.34 C +ATOM 359 CE1 PHE A 47 -3.539 21.447 47.382 1.00 28.71 C +ATOM 360 CE2 PHE A 47 -1.587 21.417 48.716 1.00 26.08 C +ATOM 361 CZ PHE A 47 -2.950 21.244 48.641 1.00 26.87 C +ATOM 362 N PRO A 48 0.366 25.197 46.525 1.00 37.90 N +ATOM 363 CA PRO A 48 0.557 25.929 47.799 1.00 39.27 C +ATOM 364 C PRO A 48 -0.070 27.308 47.664 1.00 41.00 C +ATOM 365 O PRO A 48 -0.597 27.836 48.650 1.00 39.75 O +ATOM 366 CB PRO A 48 2.056 25.901 48.093 1.00 38.29 C +ATOM 367 CG PRO A 48 2.745 25.218 46.947 1.00 37.27 C +ATOM 368 CD PRO A 48 1.675 24.829 45.930 1.00 37.84 C +ATOM 369 N GLN A 49 0.040 27.797 46.397 1.00 42.28 N +ATOM 370 CA GLN A 49 -0.524 29.123 46.160 1.00 44.96 C +ATOM 371 C GLN A 49 -2.040 29.116 46.316 1.00 45.74 C +ATOM 372 O GLN A 49 -2.540 29.957 47.116 1.00 48.98 O +ATOM 373 CB GLN A 49 -0.176 29.734 44.839 1.00 48.52 C +ATOM 374 CG GLN A 49 1.298 29.811 44.468 1.00 55.95 C +ATOM 375 CD GLN A 49 1.394 30.293 43.003 1.00 61.29 C +ATOM 376 OE1 GLN A 49 2.474 30.719 42.552 1.00 65.13 O +ATOM 377 NE2 GLN A 49 0.248 30.249 42.275 1.00 61.81 N +ATOM 378 N VAL A 50 -2.797 28.357 45.579 1.00 45.27 N +ATOM 379 CA VAL A 50 -4.250 28.352 45.668 1.00 43.59 C +ATOM 380 C VAL A 50 -4.740 27.665 46.926 1.00 43.02 C +ATOM 381 O VAL A 50 -5.836 28.142 47.309 1.00 43.66 O +ATOM 382 CB VAL A 50 -4.903 27.652 44.448 1.00 44.15 C +ATOM 383 CG1 VAL A 50 -4.205 27.955 43.145 1.00 44.46 C +ATOM 384 CG2 VAL A 50 -4.979 26.143 44.744 1.00 46.50 C +ATOM 385 N ALA A 51 -4.031 26.669 47.469 1.00 41.85 N +ATOM 386 CA ALA A 51 -4.557 25.966 48.663 1.00 41.49 C +ATOM 387 C ALA A 51 -4.499 26.832 49.931 1.00 43.35 C +ATOM 388 O ALA A 51 -5.193 26.649 50.964 1.00 41.26 O +ATOM 389 CB ALA A 51 -3.825 24.629 48.879 1.00 39.05 C +ATOM 390 N ALA A 52 -3.510 27.721 49.817 1.00 44.99 N +ATOM 391 CA ALA A 52 -3.177 28.647 50.913 1.00 48.40 C +ATOM 392 C ALA A 52 -4.415 29.494 51.168 1.00 51.82 C +ATOM 393 O ALA A 52 -4.794 29.746 52.330 1.00 54.18 O +ATOM 394 CB ALA A 52 -1.914 29.364 50.473 1.00 48.76 C +ATOM 395 N THR A 53 -5.111 29.848 50.063 1.00 53.18 N +ATOM 396 CA THR A 53 -6.349 30.628 50.036 1.00 51.99 C +ATOM 397 C THR A 53 -7.531 29.712 50.391 1.00 51.61 C +ATOM 398 O THR A 53 -8.669 30.191 50.286 1.00 53.19 O +ATOM 399 CB THR A 53 -6.767 31.313 48.685 1.00 48.21 C +ATOM 400 OG1 THR A 53 -7.591 30.242 48.096 1.00 48.17 O +ATOM 401 CG2 THR A 53 -5.718 31.667 47.652 1.00 50.73 C +ATOM 402 N GLY A 54 -7.262 28.490 50.767 1.00 51.76 N +ATOM 403 CA GLY A 54 -8.430 27.652 51.115 1.00 52.79 C +ATOM 404 C GLY A 54 -9.058 27.081 49.864 1.00 54.12 C +ATOM 405 O GLY A 54 -10.132 26.463 50.058 1.00 54.17 O +ATOM 406 N ASP A 55 -8.423 27.250 48.662 1.00 53.96 N +ATOM 407 CA ASP A 55 -9.126 26.518 47.503 1.00 52.44 C +ATOM 408 C ASP A 55 -8.201 25.438 46.912 1.00 50.08 C +ATOM 409 O ASP A 55 -7.499 24.726 47.732 1.00 49.50 O +ATOM 410 CB ASP A 55 -9.852 27.522 46.690 1.00 56.84 C +ATOM 411 CG ASP A 55 -9.174 28.495 45.803 1.00 59.58 C +ATOM 412 OD1 ASP A 55 -8.186 28.203 45.105 1.00 63.13 O +ATOM 413 OD2 ASP A 55 -9.687 29.644 45.769 1.00 62.01 O +ATOM 414 N GLY A 56 -8.221 25.180 45.595 1.00 46.98 N +ATOM 415 CA GLY A 56 -7.368 24.152 44.925 1.00 42.30 C +ATOM 416 C GLY A 56 -8.096 22.848 44.742 1.00 38.39 C +ATOM 417 O GLY A 56 -9.339 22.935 44.812 1.00 39.81 O +ATOM 418 N PRO A 57 -7.415 21.707 44.517 1.00 35.33 N +ATOM 419 CA PRO A 57 -8.074 20.424 44.333 1.00 32.90 C +ATOM 420 C PRO A 57 -8.468 19.832 45.643 1.00 31.43 C +ATOM 421 O PRO A 57 -7.997 20.229 46.732 1.00 32.83 O +ATOM 422 CB PRO A 57 -6.988 19.527 43.613 1.00 31.23 C +ATOM 423 CG PRO A 57 -5.701 20.038 44.158 1.00 29.61 C +ATOM 424 CD PRO A 57 -5.945 21.517 44.373 1.00 33.32 C +ATOM 425 N ASP A 58 -9.340 18.884 45.696 1.00 30.53 N +ATOM 426 CA ASP A 58 -9.684 18.125 46.900 1.00 31.94 C +ATOM 427 C ASP A 58 -8.448 17.222 47.212 1.00 30.94 C +ATOM 428 O ASP A 58 -8.072 16.970 48.366 1.00 28.83 O +ATOM 429 CB ASP A 58 -10.971 17.287 46.759 1.00 35.52 C +ATOM 430 CG ASP A 58 -12.234 18.155 46.643 1.00 36.53 C +ATOM 431 OD1 ASP A 58 -12.636 18.580 45.549 1.00 38.16 O +ATOM 432 OD2 ASP A 58 -12.712 18.421 47.788 1.00 40.41 O +ATOM 433 N ILE A 59 -7.895 16.663 46.090 1.00 30.61 N +ATOM 434 CA ILE A 59 -6.739 15.737 46.132 1.00 29.60 C +ATOM 435 C ILE A 59 -5.663 16.128 45.108 1.00 27.63 C +ATOM 436 O ILE A 59 -5.849 16.574 43.998 1.00 27.14 O +ATOM 437 CB ILE A 59 -7.159 14.233 46.233 1.00 30.99 C +ATOM 438 CG1 ILE A 59 -6.049 13.418 45.499 1.00 27.52 C +ATOM 439 CG2 ILE A 59 -8.547 13.567 45.913 1.00 30.80 C +ATOM 440 CD1 ILE A 59 -6.401 11.914 45.668 1.00 32.51 C +ATOM 441 N ILE A 60 -4.409 16.076 45.613 1.00 26.46 N +ATOM 442 CA ILE A 60 -3.167 16.380 44.990 1.00 24.02 C +ATOM 443 C ILE A 60 -2.205 15.196 45.019 1.00 22.46 C +ATOM 444 O ILE A 60 -1.895 14.549 45.997 1.00 21.01 O +ATOM 445 CB ILE A 60 -2.509 17.640 45.680 1.00 27.12 C +ATOM 446 CG1 ILE A 60 -1.269 18.093 44.857 1.00 27.26 C +ATOM 447 CG2 ILE A 60 -2.139 17.412 47.152 1.00 24.57 C +ATOM 448 CD1 ILE A 60 -1.800 18.935 43.613 1.00 32.92 C +ATOM 449 N PHE A 61 -1.676 14.951 43.817 1.00 21.00 N +ATOM 450 CA PHE A 61 -0.695 13.891 43.581 1.00 22.36 C +ATOM 451 C PHE A 61 0.680 14.554 43.161 1.00 21.10 C +ATOM 452 O PHE A 61 0.655 15.414 42.242 1.00 21.30 O +ATOM 453 CB PHE A 61 -1.009 12.930 42.438 1.00 20.87 C +ATOM 454 CG PHE A 61 -2.182 12.051 42.634 1.00 19.64 C +ATOM 455 CD1 PHE A 61 -3.472 12.472 42.634 1.00 18.74 C +ATOM 456 CD2 PHE A 61 -1.883 10.653 42.762 1.00 25.39 C +ATOM 457 CE1 PHE A 61 -4.523 11.573 42.824 1.00 21.61 C +ATOM 458 CE2 PHE A 61 -2.985 9.743 42.957 1.00 26.29 C +ATOM 459 CZ PHE A 61 -4.304 10.189 42.993 1.00 21.81 C +ATOM 460 N TRP A 62 1.697 14.114 43.902 1.00 18.91 N +ATOM 461 CA TRP A 62 3.065 14.518 43.584 1.00 16.85 C +ATOM 462 C TRP A 62 3.960 13.459 44.244 1.00 18.31 C +ATOM 463 O TRP A 62 3.397 12.618 45.002 1.00 18.36 O +ATOM 464 CB TRP A 62 3.347 16.007 43.934 1.00 17.63 C +ATOM 465 CG TRP A 62 4.719 16.469 43.306 1.00 17.52 C +ATOM 466 CD1 TRP A 62 5.937 16.436 43.813 1.00 15.19 C +ATOM 467 CD2 TRP A 62 4.888 16.968 41.952 1.00 16.34 C +ATOM 468 NE1 TRP A 62 6.865 16.898 42.917 1.00 17.65 N +ATOM 469 CE2 TRP A 62 6.236 17.202 41.761 1.00 18.48 C +ATOM 470 CE3 TRP A 62 3.946 17.170 40.925 1.00 20.09 C +ATOM 471 CZ2 TRP A 62 6.790 17.735 40.576 1.00 18.35 C +ATOM 472 CZ3 TRP A 62 4.463 17.729 39.753 1.00 19.41 C +ATOM 473 CH2 TRP A 62 5.852 17.938 39.606 1.00 20.02 C +ATOM 474 N ALA A 63 5.291 13.431 43.885 1.00 16.89 N +ATOM 475 CA ALA A 63 6.322 12.663 44.574 1.00 14.19 C +ATOM 476 C ALA A 63 6.303 13.135 46.061 1.00 15.79 C +ATOM 477 O ALA A 63 5.928 14.359 46.283 1.00 14.46 O +ATOM 478 CB ALA A 63 7.692 12.709 43.993 1.00 15.58 C +ATOM 479 N HIS A 64 6.698 12.342 47.008 1.00 15.17 N +ATOM 480 CA HIS A 64 6.574 12.744 48.441 1.00 16.39 C +ATOM 481 C HIS A 64 7.488 13.836 48.860 1.00 18.44 C +ATOM 482 O HIS A 64 7.202 14.477 49.952 1.00 17.46 O +ATOM 483 CB HIS A 64 6.767 11.437 49.343 1.00 13.90 C +ATOM 484 CG HIS A 64 8.221 11.007 49.194 1.00 16.61 C +ATOM 485 ND1 HIS A 64 9.264 11.216 50.076 1.00 17.21 N +ATOM 486 CD2 HIS A 64 8.795 10.378 48.140 1.00 12.50 C +ATOM 487 CE1 HIS A 64 10.399 10.741 49.657 1.00 14.10 C +ATOM 488 NE2 HIS A 64 10.077 10.260 48.424 1.00 17.83 N +ATOM 489 N ASP A 65 8.622 14.139 48.128 1.00 17.03 N +ATOM 490 CA ASP A 65 9.569 15.208 48.572 1.00 16.25 C +ATOM 491 C ASP A 65 8.892 16.576 48.792 1.00 18.46 C +ATOM 492 O ASP A 65 9.390 17.402 49.581 1.00 17.41 O +ATOM 493 CB ASP A 65 10.795 15.320 47.622 1.00 16.52 C +ATOM 494 CG ASP A 65 10.426 15.767 46.252 1.00 14.74 C +ATOM 495 OD1 ASP A 65 9.470 15.193 45.559 1.00 14.91 O +ATOM 496 OD2 ASP A 65 10.911 16.789 45.762 1.00 17.68 O +ATOM 497 N ARG A 66 7.788 16.876 48.117 1.00 18.75 N +ATOM 498 CA ARG A 66 7.104 18.181 48.226 1.00 17.77 C +ATOM 499 C ARG A 66 6.153 18.168 49.444 1.00 18.83 C +ATOM 500 O ARG A 66 5.840 19.328 49.880 1.00 18.58 O +ATOM 501 CB ARG A 66 6.281 18.501 47.015 1.00 18.07 C +ATOM 502 CG ARG A 66 7.025 18.710 45.705 1.00 18.34 C +ATOM 503 CD ARG A 66 7.571 20.107 45.776 1.00 25.02 C +ATOM 504 NE ARG A 66 8.625 20.265 44.789 1.00 28.36 N +ATOM 505 CZ ARG A 66 9.183 21.434 44.466 1.00 30.88 C +ATOM 506 NH1 ARG A 66 8.715 22.643 44.971 1.00 30.46 N +ATOM 507 NH2 ARG A 66 10.222 21.471 43.589 1.00 29.38 N +ATOM 508 N PHE A 67 5.746 17.028 49.959 1.00 19.04 N +ATOM 509 CA PHE A 67 4.720 16.943 51.044 1.00 20.67 C +ATOM 510 C PHE A 67 5.144 17.518 52.410 1.00 21.00 C +ATOM 511 O PHE A 67 4.171 18.084 53.030 1.00 22.00 O +ATOM 512 CB PHE A 67 4.141 15.523 51.113 1.00 18.36 C +ATOM 513 CG PHE A 67 3.156 15.301 49.944 1.00 25.38 C +ATOM 514 CD1 PHE A 67 3.558 15.486 48.644 1.00 28.86 C +ATOM 515 CD2 PHE A 67 1.858 14.925 50.140 1.00 30.02 C +ATOM 516 CE1 PHE A 67 2.715 15.238 47.550 1.00 31.55 C +ATOM 517 CE2 PHE A 67 0.926 14.766 49.113 1.00 33.42 C +ATOM 518 CZ PHE A 67 1.361 14.935 47.788 1.00 32.81 C +ATOM 519 N GLY A 68 6.324 17.425 52.920 1.00 20.33 N +ATOM 520 CA GLY A 68 6.770 18.004 54.198 1.00 21.17 C +ATOM 521 C GLY A 68 6.485 19.494 54.187 1.00 22.44 C +ATOM 522 O GLY A 68 6.000 20.150 55.116 1.00 22.77 O +ATOM 523 N GLY A 69 6.738 20.187 53.112 1.00 20.54 N +ATOM 524 CA GLY A 69 6.556 21.613 52.999 1.00 19.84 C +ATOM 525 C GLY A 69 5.093 21.939 52.985 1.00 21.77 C +ATOM 526 O GLY A 69 4.747 22.902 53.622 1.00 23.06 O +ATOM 527 N TYR A 70 4.241 21.181 52.312 1.00 20.33 N +ATOM 528 CA TYR A 70 2.831 21.430 52.245 1.00 19.86 C +ATOM 529 C TYR A 70 2.291 21.298 53.663 1.00 20.89 C +ATOM 530 O TYR A 70 1.468 22.121 53.999 1.00 22.64 O +ATOM 531 CB TYR A 70 2.097 20.449 51.302 1.00 20.32 C +ATOM 532 CG TYR A 70 2.386 20.531 49.821 1.00 22.15 C +ATOM 533 CD1 TYR A 70 2.986 21.674 49.250 1.00 19.96 C +ATOM 534 CD2 TYR A 70 2.152 19.373 49.004 1.00 19.73 C +ATOM 535 CE1 TYR A 70 3.286 21.768 47.893 1.00 20.82 C +ATOM 536 CE2 TYR A 70 2.474 19.453 47.625 1.00 20.55 C +ATOM 537 CZ TYR A 70 3.058 20.620 47.126 1.00 21.69 C +ATOM 538 OH TYR A 70 3.345 20.694 45.775 1.00 27.96 O +ATOM 539 N ALA A 71 2.611 20.267 54.362 1.00 21.93 N +ATOM 540 CA ALA A 71 2.203 19.924 55.711 1.00 23.56 C +ATOM 541 C ALA A 71 2.621 21.041 56.691 1.00 25.83 C +ATOM 542 O ALA A 71 1.766 21.468 57.457 1.00 27.05 O +ATOM 543 CB ALA A 71 2.841 18.597 56.147 1.00 21.93 C +ATOM 544 N GLN A 72 3.849 21.505 56.665 1.00 26.16 N +ATOM 545 CA GLN A 72 4.324 22.585 57.526 1.00 29.69 C +ATOM 546 C GLN A 72 3.581 23.915 57.325 1.00 31.89 C +ATOM 547 O GLN A 72 3.529 24.731 58.266 1.00 33.87 O +ATOM 548 CB GLN A 72 5.799 22.891 57.299 1.00 30.81 C +ATOM 549 CG GLN A 72 6.335 24.087 58.014 1.00 28.04 C +ATOM 550 CD GLN A 72 7.666 24.544 57.541 1.00 28.24 C +ATOM 551 OE1 GLN A 72 8.688 24.420 58.263 1.00 31.26 O +ATOM 552 NE2 GLN A 72 7.787 25.220 56.406 1.00 27.87 N +ATOM 553 N SER A 73 3.125 24.182 56.132 1.00 30.29 N +ATOM 554 CA SER A 73 2.352 25.347 55.800 1.00 30.44 C +ATOM 555 C SER A 73 0.858 25.159 56.164 1.00 30.34 C +ATOM 556 O SER A 73 0.023 26.082 55.871 1.00 32.61 O +ATOM 557 CB SER A 73 2.461 25.609 54.288 1.00 30.38 C +ATOM 558 OG SER A 73 3.816 25.858 54.030 1.00 32.28 O +ATOM 559 N GLY A 74 0.540 24.016 56.679 1.00 28.77 N +ATOM 560 CA GLY A 74 -0.750 23.452 57.039 1.00 30.04 C +ATOM 561 C GLY A 74 -1.695 23.126 55.876 1.00 30.20 C +ATOM 562 O GLY A 74 -2.925 23.338 56.115 1.00 31.87 O +ATOM 563 N LEU A 75 -1.351 22.593 54.725 1.00 27.25 N +ATOM 564 CA LEU A 75 -2.211 22.448 53.532 1.00 25.25 C +ATOM 565 C LEU A 75 -2.814 21.088 53.298 1.00 25.97 C +ATOM 566 O LEU A 75 -3.709 20.888 52.431 1.00 25.21 O +ATOM 567 CB LEU A 75 -1.440 23.007 52.308 1.00 22.09 C +ATOM 568 CG LEU A 75 -0.908 24.426 52.310 1.00 24.87 C +ATOM 569 CD1 LEU A 75 0.044 24.670 51.156 1.00 24.34 C +ATOM 570 CD2 LEU A 75 -2.032 25.491 52.287 1.00 22.85 C +ATOM 571 N LEU A 76 -2.380 20.196 54.193 1.00 26.85 N +ATOM 572 CA LEU A 76 -2.867 18.844 54.069 1.00 30.07 C +ATOM 573 C LEU A 76 -3.517 18.346 55.355 1.00 32.12 C +ATOM 574 O LEU A 76 -2.967 18.629 56.442 1.00 33.59 O +ATOM 575 CB LEU A 76 -1.603 17.915 53.801 1.00 26.99 C +ATOM 576 CG LEU A 76 -0.826 18.255 52.507 1.00 24.65 C +ATOM 577 CD1 LEU A 76 0.412 17.426 52.545 1.00 24.67 C +ATOM 578 CD2 LEU A 76 -1.736 17.975 51.314 1.00 25.03 C +ATOM 579 N ALA A 77 -4.477 17.498 55.197 1.00 32.30 N +ATOM 580 CA ALA A 77 -5.144 16.805 56.272 1.00 32.92 C +ATOM 581 C ALA A 77 -4.357 15.537 56.609 1.00 34.17 C +ATOM 582 O ALA A 77 -3.839 14.863 55.730 1.00 31.63 O +ATOM 583 CB ALA A 77 -6.604 16.393 55.908 1.00 31.57 C +ATOM 584 N GLU A 78 -4.388 15.224 57.907 1.00 35.96 N +ATOM 585 CA GLU A 78 -3.802 14.005 58.469 1.00 38.34 C +ATOM 586 C GLU A 78 -4.831 12.913 58.065 1.00 37.65 C +ATOM 587 O GLU A 78 -6.035 13.018 58.167 1.00 37.24 O +ATOM 588 CB GLU A 78 -3.524 14.013 59.946 1.00 40.69 C +ATOM 589 CG GLU A 78 -3.506 12.672 60.714 1.00 47.32 C +ATOM 590 CD GLU A 78 -3.186 12.745 62.197 1.00 51.54 C +ATOM 591 OE1 GLU A 78 -3.437 13.814 62.818 1.00 55.15 O +ATOM 592 OE2 GLU A 78 -2.630 11.729 62.729 1.00 51.80 O +ATOM 593 N ILE A 79 -4.274 11.857 57.515 1.00 38.37 N +ATOM 594 CA ILE A 79 -5.082 10.730 57.083 1.00 39.14 C +ATOM 595 C ILE A 79 -4.895 9.711 58.212 1.00 41.86 C +ATOM 596 O ILE A 79 -3.893 9.659 58.961 1.00 39.15 O +ATOM 597 CB ILE A 79 -4.646 10.246 55.654 1.00 37.05 C +ATOM 598 CG1 ILE A 79 -3.221 9.669 55.737 1.00 33.87 C +ATOM 599 CG2 ILE A 79 -4.665 11.286 54.489 1.00 35.74 C +ATOM 600 CD1 ILE A 79 -2.836 8.543 54.811 1.00 33.96 C +ATOM 601 N THR A 80 -5.870 8.815 58.253 1.00 48.00 N +ATOM 602 CA THR A 80 -5.966 7.696 59.217 1.00 52.57 C +ATOM 603 C THR A 80 -6.479 6.372 58.681 1.00 53.84 C +ATOM 604 O THR A 80 -7.673 5.962 58.756 1.00 54.91 O +ATOM 605 CB THR A 80 -6.917 8.170 60.409 1.00 55.23 C +ATOM 606 OG1 THR A 80 -8.044 8.810 59.662 1.00 58.54 O +ATOM 607 CG2 THR A 80 -6.330 9.099 61.448 1.00 55.39 C +ATOM 608 N PRO A 81 -5.583 5.595 58.139 1.00 54.92 N +ATOM 609 CA PRO A 81 -5.991 4.260 57.629 1.00 56.00 C +ATOM 610 C PRO A 81 -5.798 3.336 58.818 1.00 55.47 C +ATOM 611 O PRO A 81 -4.863 3.577 59.635 1.00 56.08 O +ATOM 612 CB PRO A 81 -5.069 4.062 56.456 1.00 55.59 C +ATOM 613 CG PRO A 81 -4.109 5.231 56.475 1.00 55.50 C +ATOM 614 CD PRO A 81 -4.136 5.757 57.920 1.00 55.00 C +ATOM 615 N ASP A 82 -6.608 2.319 58.946 1.00 55.71 N +ATOM 616 CA ASP A 82 -6.325 1.423 60.098 1.00 56.52 C +ATOM 617 C ASP A 82 -5.334 0.378 59.580 1.00 54.60 C +ATOM 618 O ASP A 82 -5.275 0.112 58.398 1.00 54.20 O +ATOM 619 CB ASP A 82 -7.533 0.779 60.713 1.00 62.77 C +ATOM 620 CG ASP A 82 -8.510 0.203 59.684 1.00 66.06 C +ATOM 621 OD1 ASP A 82 -8.551 0.728 58.551 1.00 67.70 O +ATOM 622 OD2 ASP A 82 -9.232 -0.756 60.123 1.00 68.32 O +ATOM 623 N LYS A 83 -4.683 -0.133 60.566 1.00 54.31 N +ATOM 624 CA LYS A 83 -3.648 -1.162 60.479 1.00 54.60 C +ATOM 625 C LYS A 83 -4.000 -2.220 59.437 1.00 51.81 C +ATOM 626 O LYS A 83 -3.114 -2.932 58.965 1.00 50.29 O +ATOM 627 CB LYS A 83 -3.361 -1.858 61.832 1.00 58.99 C +ATOM 628 CG LYS A 83 -4.129 -3.155 62.039 1.00 63.00 C +ATOM 629 CD LYS A 83 -3.495 -4.192 62.931 1.00 67.55 C +ATOM 630 CE LYS A 83 -2.110 -4.711 62.605 1.00 70.95 C +ATOM 631 NZ LYS A 83 -1.943 -6.219 62.769 1.00 72.56 N +ATOM 632 N ALA A 84 -5.313 -2.323 59.170 1.00 50.22 N +ATOM 633 CA ALA A 84 -5.685 -3.361 58.194 1.00 48.69 C +ATOM 634 C ALA A 84 -5.360 -2.663 56.859 1.00 46.75 C +ATOM 635 O ALA A 84 -4.632 -3.329 56.150 1.00 48.64 O +ATOM 636 CB ALA A 84 -7.075 -3.972 58.102 1.00 47.82 C +ATOM 637 N PHE A 85 -5.893 -1.498 56.680 1.00 44.73 N +ATOM 638 CA PHE A 85 -5.592 -0.877 55.383 1.00 42.93 C +ATOM 639 C PHE A 85 -4.103 -0.652 55.251 1.00 43.08 C +ATOM 640 O PHE A 85 -3.555 -0.878 54.129 1.00 44.12 O +ATOM 641 CB PHE A 85 -6.298 0.407 55.166 1.00 42.44 C +ATOM 642 CG PHE A 85 -5.926 0.984 53.819 1.00 42.40 C +ATOM 643 CD1 PHE A 85 -4.763 1.697 53.693 1.00 40.81 C +ATOM 644 CD2 PHE A 85 -6.785 0.724 52.723 1.00 43.10 C +ATOM 645 CE1 PHE A 85 -4.413 2.219 52.454 1.00 40.45 C +ATOM 646 CE2 PHE A 85 -6.448 1.220 51.476 1.00 43.41 C +ATOM 647 CZ PHE A 85 -5.229 1.961 51.384 1.00 41.49 C +ATOM 648 N GLN A 86 -3.486 -0.239 56.338 1.00 41.40 N +ATOM 649 CA GLN A 86 -2.055 0.037 56.321 1.00 40.67 C +ATOM 650 C GLN A 86 -1.199 -1.130 55.858 1.00 41.37 C +ATOM 651 O GLN A 86 -0.095 -0.987 55.275 1.00 41.02 O +ATOM 652 CB GLN A 86 -1.576 0.502 57.733 1.00 42.75 C +ATOM 653 CG GLN A 86 -1.367 1.945 57.878 1.00 44.12 C +ATOM 654 CD GLN A 86 -0.889 2.594 59.145 1.00 45.08 C +ATOM 655 OE1 GLN A 86 0.263 2.976 59.394 1.00 45.97 O +ATOM 656 NE2 GLN A 86 -1.976 2.843 59.916 1.00 46.63 N +ATOM 657 N ASP A 87 -1.659 -2.305 56.203 1.00 40.74 N +ATOM 658 CA ASP A 87 -1.148 -3.659 56.041 1.00 40.77 C +ATOM 659 C ASP A 87 -1.014 -4.095 54.581 1.00 36.12 C +ATOM 660 O ASP A 87 -0.106 -4.841 54.178 1.00 36.45 O +ATOM 661 CB ASP A 87 -2.078 -4.539 56.904 1.00 45.46 C +ATOM 662 CG ASP A 87 -1.348 -5.368 57.935 1.00 50.80 C +ATOM 663 OD1 ASP A 87 -0.195 -5.011 58.289 1.00 52.85 O +ATOM 664 OD2 ASP A 87 -2.095 -6.334 58.365 1.00 54.43 O +ATOM 665 N LYS A 88 -1.855 -3.553 53.783 1.00 34.25 N +ATOM 666 CA LYS A 88 -1.866 -3.768 52.329 1.00 32.57 C +ATOM 667 C LYS A 88 -0.695 -3.118 51.592 1.00 32.53 C +ATOM 668 O LYS A 88 -0.388 -3.479 50.417 1.00 36.26 O +ATOM 669 CB LYS A 88 -3.158 -3.208 51.839 1.00 31.00 C +ATOM 670 CG LYS A 88 -4.348 -4.082 52.148 1.00 33.05 C +ATOM 671 CD LYS A 88 -5.585 -3.624 51.509 1.00 36.47 C +ATOM 672 CE LYS A 88 -6.801 -3.153 52.223 1.00 40.72 C +ATOM 673 NZ LYS A 88 -8.041 -3.430 51.410 1.00 39.71 N +ATOM 674 N LEU A 89 -0.001 -2.180 52.182 1.00 31.86 N +ATOM 675 CA LEU A 89 1.078 -1.438 51.592 1.00 30.68 C +ATOM 676 C LEU A 89 2.424 -1.743 52.188 1.00 31.20 C +ATOM 677 O LEU A 89 2.580 -2.021 53.398 1.00 33.15 O +ATOM 678 CB LEU A 89 0.754 0.058 51.818 1.00 28.91 C +ATOM 679 CG LEU A 89 -0.396 0.724 51.217 1.00 28.89 C +ATOM 680 CD1 LEU A 89 0.033 2.105 50.669 1.00 31.33 C +ATOM 681 CD2 LEU A 89 -0.967 -0.023 50.028 1.00 28.02 C +ATOM 682 N TYR A 90 3.420 -1.623 51.328 1.00 28.21 N +ATOM 683 CA TYR A 90 4.762 -1.772 51.877 1.00 30.92 C +ATOM 684 C TYR A 90 4.976 -0.644 52.893 1.00 34.34 C +ATOM 685 O TYR A 90 4.765 0.612 52.670 1.00 34.67 O +ATOM 686 CB TYR A 90 5.778 -1.665 50.766 1.00 30.58 C +ATOM 687 CG TYR A 90 5.730 -2.788 49.775 1.00 33.53 C +ATOM 688 CD1 TYR A 90 6.343 -3.997 50.125 1.00 32.52 C +ATOM 689 CD2 TYR A 90 5.136 -2.674 48.483 1.00 32.65 C +ATOM 690 CE1 TYR A 90 6.375 -5.034 49.184 1.00 32.72 C +ATOM 691 CE2 TYR A 90 5.194 -3.704 47.543 1.00 31.58 C +ATOM 692 CZ TYR A 90 5.806 -4.873 47.909 1.00 33.65 C +ATOM 693 OH TYR A 90 5.894 -6.027 47.128 1.00 38.81 O +ATOM 694 N PRO A 91 5.472 -1.021 54.054 1.00 35.71 N +ATOM 695 CA PRO A 91 5.743 -0.054 55.147 1.00 34.70 C +ATOM 696 C PRO A 91 6.789 0.986 54.825 1.00 31.44 C +ATOM 697 O PRO A 91 6.625 2.093 55.315 1.00 29.86 O +ATOM 698 CB PRO A 91 6.145 -0.898 56.366 1.00 36.66 C +ATOM 699 CG PRO A 91 6.858 -2.068 55.646 1.00 39.29 C +ATOM 700 CD PRO A 91 5.751 -2.407 54.507 1.00 37.31 C +ATOM 701 N PHE A 92 7.812 0.692 54.062 1.00 31.09 N +ATOM 702 CA PHE A 92 8.761 1.798 53.816 1.00 30.13 C +ATOM 703 C PHE A 92 7.980 2.873 53.054 1.00 29.72 C +ATOM 704 O PHE A 92 8.452 4.065 53.135 1.00 31.00 O +ATOM 705 CB PHE A 92 9.994 1.312 53.066 1.00 32.57 C +ATOM 706 CG PHE A 92 9.795 1.229 51.575 1.00 35.45 C +ATOM 707 CD1 PHE A 92 9.274 0.051 51.017 1.00 34.58 C +ATOM 708 CD2 PHE A 92 10.154 2.353 50.737 1.00 35.83 C +ATOM 709 CE1 PHE A 92 9.068 -0.024 49.621 1.00 35.83 C +ATOM 710 CE2 PHE A 92 9.954 2.238 49.346 1.00 34.23 C +ATOM 711 CZ PHE A 92 9.423 1.049 48.762 1.00 32.68 C +ATOM 712 N THR A 93 6.878 2.550 52.376 1.00 26.97 N +ATOM 713 CA THR A 93 6.114 3.577 51.626 1.00 25.83 C +ATOM 714 C THR A 93 5.303 4.485 52.544 1.00 26.16 C +ATOM 715 O THR A 93 5.187 5.711 52.244 1.00 22.40 O +ATOM 716 CB THR A 93 5.312 3.002 50.376 1.00 23.01 C +ATOM 717 OG1 THR A 93 4.140 2.345 50.911 1.00 24.85 O +ATOM 718 CG2 THR A 93 6.136 2.118 49.477 1.00 23.30 C +ATOM 719 N TRP A 94 4.851 3.960 53.741 1.00 26.08 N +ATOM 720 CA TRP A 94 4.115 4.857 54.703 1.00 23.12 C +ATOM 721 C TRP A 94 5.129 5.776 55.365 1.00 21.53 C +ATOM 722 O TRP A 94 4.807 6.960 55.720 1.00 24.87 O +ATOM 723 CB TRP A 94 3.406 4.023 55.736 1.00 22.26 C +ATOM 724 CG TRP A 94 2.208 3.297 55.299 1.00 18.12 C +ATOM 725 CD1 TRP A 94 2.068 1.941 55.159 1.00 19.30 C +ATOM 726 CD2 TRP A 94 0.951 3.873 54.963 1.00 21.74 C +ATOM 727 NE1 TRP A 94 0.792 1.662 54.712 1.00 23.67 N +ATOM 728 CE2 TRP A 94 0.060 2.833 54.640 1.00 21.25 C +ATOM 729 CE3 TRP A 94 0.467 5.175 54.836 1.00 22.59 C +ATOM 730 CZ2 TRP A 94 -1.244 3.066 54.237 1.00 24.60 C +ATOM 731 CZ3 TRP A 94 -0.838 5.426 54.475 1.00 23.57 C +ATOM 732 CH2 TRP A 94 -1.705 4.370 54.147 1.00 24.10 C +ATOM 733 N ASP A 95 6.337 5.471 55.555 1.00 21.02 N +ATOM 734 CA ASP A 95 7.382 6.192 56.184 1.00 24.72 C +ATOM 735 C ASP A 95 7.741 7.457 55.390 1.00 27.52 C +ATOM 736 O ASP A 95 8.259 8.423 55.970 1.00 29.97 O +ATOM 737 CB ASP A 95 8.645 5.336 56.324 1.00 31.58 C +ATOM 738 CG ASP A 95 8.676 4.295 57.449 1.00 37.85 C +ATOM 739 OD1 ASP A 95 7.891 4.520 58.384 1.00 38.66 O +ATOM 740 OD2 ASP A 95 9.482 3.292 57.276 1.00 41.90 O +ATOM 741 N ALA A 96 7.610 7.281 54.071 1.00 24.95 N +ATOM 742 CA ALA A 96 7.892 8.354 53.110 1.00 22.68 C +ATOM 743 C ALA A 96 6.867 9.442 53.266 1.00 21.80 C +ATOM 744 O ALA A 96 7.222 10.619 52.975 1.00 22.63 O +ATOM 745 CB ALA A 96 7.917 7.754 51.666 1.00 22.45 C +ATOM 746 N VAL A 97 5.668 9.140 53.809 1.00 21.20 N +ATOM 747 CA VAL A 97 4.588 10.128 53.863 1.00 21.68 C +ATOM 748 C VAL A 97 4.260 10.533 55.320 1.00 20.10 C +ATOM 749 O VAL A 97 3.113 10.963 55.469 1.00 23.68 O +ATOM 750 CB VAL A 97 3.406 9.711 52.984 1.00 20.81 C +ATOM 751 CG1 VAL A 97 3.849 9.699 51.476 1.00 22.95 C +ATOM 752 CG2 VAL A 97 2.806 8.361 53.305 1.00 22.42 C +ATOM 753 N ARG A 98 5.221 10.425 56.118 1.00 20.47 N +ATOM 754 CA ARG A 98 5.092 10.782 57.541 1.00 24.25 C +ATOM 755 C ARG A 98 5.812 12.070 57.734 1.00 25.01 C +ATOM 756 O ARG A 98 6.961 12.267 57.356 1.00 28.96 O +ATOM 757 CB ARG A 98 5.688 9.779 58.522 1.00 28.60 C +ATOM 758 CG ARG A 98 4.894 9.002 59.504 1.00 28.40 C +ATOM 759 CD ARG A 98 5.836 7.995 60.108 1.00 31.71 C +ATOM 760 NE ARG A 98 5.260 6.648 59.970 1.00 37.22 N +ATOM 761 CZ ARG A 98 4.000 6.314 60.322 1.00 38.13 C +ATOM 762 NH1 ARG A 98 3.127 7.156 60.885 1.00 39.75 N +ATOM 763 NH2 ARG A 98 3.559 5.083 59.956 1.00 41.00 N +ATOM 764 N TYR A 99 5.160 13.006 58.346 1.00 26.30 N +ATOM 765 CA TYR A 99 5.801 14.269 58.627 1.00 26.67 C +ATOM 766 C TYR A 99 5.519 14.525 60.134 1.00 27.16 C +ATOM 767 O TYR A 99 4.373 14.753 60.435 1.00 26.89 O +ATOM 768 CB TYR A 99 5.307 15.360 57.701 1.00 24.28 C +ATOM 769 CG TYR A 99 5.961 16.706 57.982 1.00 25.20 C +ATOM 770 CD1 TYR A 99 7.269 17.038 57.673 1.00 24.46 C +ATOM 771 CD2 TYR A 99 5.163 17.655 58.601 1.00 25.88 C +ATOM 772 CE1 TYR A 99 7.777 18.288 57.850 1.00 26.00 C +ATOM 773 CE2 TYR A 99 5.666 18.875 58.900 1.00 26.79 C +ATOM 774 CZ TYR A 99 6.935 19.203 58.489 1.00 26.99 C +ATOM 775 OH TYR A 99 7.299 20.493 58.794 1.00 28.07 O +ATOM 776 N ASN A 100 6.581 14.571 60.907 1.00 28.54 N +ATOM 777 CA ASN A 100 6.527 14.796 62.348 1.00 32.41 C +ATOM 778 C ASN A 100 5.685 13.700 62.989 1.00 31.57 C +ATOM 779 O ASN A 100 4.853 13.941 63.858 1.00 33.49 O +ATOM 780 CB ASN A 100 6.140 16.247 62.680 1.00 36.49 C +ATOM 781 CG ASN A 100 7.183 17.309 62.280 1.00 41.17 C +ATOM 782 OD1 ASN A 100 6.758 18.431 61.850 1.00 41.34 O +ATOM 783 ND2 ASN A 100 8.541 17.155 62.334 1.00 39.92 N +ATOM 784 N GLY A 101 5.851 12.476 62.548 1.00 30.13 N +ATOM 785 CA GLY A 101 5.180 11.273 62.933 1.00 29.61 C +ATOM 786 C GLY A 101 3.781 11.076 62.418 1.00 31.93 C +ATOM 787 O GLY A 101 3.243 9.899 62.509 1.00 35.22 O +ATOM 788 N LYS A 102 3.051 12.005 61.854 1.00 32.67 N +ATOM 789 CA LYS A 102 1.670 11.907 61.342 1.00 32.94 C +ATOM 790 C LYS A 102 1.656 11.447 59.839 1.00 32.17 C +ATOM 791 O LYS A 102 2.573 11.834 59.150 1.00 28.00 O +ATOM 792 CB LYS A 102 0.934 13.256 61.235 1.00 37.09 C +ATOM 793 CG LYS A 102 0.784 14.097 62.538 1.00 40.86 C +ATOM 794 CD LYS A 102 0.394 13.064 63.638 1.00 44.14 C +ATOM 795 CE LYS A 102 -0.338 13.701 64.823 1.00 46.57 C +ATOM 796 NZ LYS A 102 -0.755 12.588 65.782 1.00 46.78 N +ATOM 797 N LEU A 103 0.651 10.772 59.416 1.00 29.20 N +ATOM 798 CA LEU A 103 0.647 10.414 57.981 1.00 29.95 C +ATOM 799 C LEU A 103 -0.024 11.544 57.260 1.00 28.33 C +ATOM 800 O LEU A 103 -1.064 11.961 57.805 1.00 26.73 O +ATOM 801 CB LEU A 103 0.057 9.038 57.935 1.00 27.56 C +ATOM 802 CG LEU A 103 0.944 7.980 58.543 1.00 28.99 C +ATOM 803 CD1 LEU A 103 -0.150 6.846 58.571 1.00 31.26 C +ATOM 804 CD2 LEU A 103 2.117 7.496 57.758 1.00 27.09 C +ATOM 805 N ILE A 104 0.541 12.052 56.160 1.00 25.90 N +ATOM 806 CA ILE A 104 -0.093 13.204 55.454 1.00 24.57 C +ATOM 807 C ILE A 104 -0.491 12.985 53.991 1.00 23.58 C +ATOM 808 O ILE A 104 -0.848 13.939 53.305 1.00 22.61 O +ATOM 809 CB ILE A 104 0.911 14.399 55.422 1.00 26.59 C +ATOM 810 CG1 ILE A 104 2.225 13.846 54.747 1.00 25.94 C +ATOM 811 CG2 ILE A 104 1.146 14.944 56.807 1.00 30.88 C +ATOM 812 CD1 ILE A 104 3.358 14.822 54.795 1.00 30.36 C +ATOM 813 N ALA A 105 -0.335 11.666 53.675 1.00 23.69 N +ATOM 814 CA ALA A 105 -0.716 11.218 52.310 1.00 20.89 C +ATOM 815 C ALA A 105 -0.708 9.698 52.197 1.00 20.42 C +ATOM 816 O ALA A 105 -0.234 8.960 53.070 1.00 20.81 O +ATOM 817 CB ALA A 105 0.229 11.869 51.295 1.00 21.61 C +ATOM 818 N TYR A 106 -1.336 9.241 51.108 1.00 20.25 N +ATOM 819 CA TYR A 106 -1.406 7.840 50.689 1.00 21.08 C +ATOM 820 C TYR A 106 -0.307 7.633 49.587 1.00 20.59 C +ATOM 821 O TYR A 106 -0.359 8.425 48.619 1.00 19.76 O +ATOM 822 CB TYR A 106 -2.718 7.479 50.009 1.00 23.92 C +ATOM 823 CG TYR A 106 -3.876 7.430 51.002 1.00 28.83 C +ATOM 824 CD1 TYR A 106 -4.573 8.611 51.259 1.00 26.50 C +ATOM 825 CD2 TYR A 106 -4.262 6.222 51.592 1.00 29.20 C +ATOM 826 CE1 TYR A 106 -5.639 8.582 52.167 1.00 29.58 C +ATOM 827 CE2 TYR A 106 -5.306 6.180 52.510 1.00 30.48 C +ATOM 828 CZ TYR A 106 -5.965 7.379 52.777 1.00 31.74 C +ATOM 829 OH TYR A 106 -7.020 7.383 53.717 1.00 38.89 O +ATOM 830 N PRO A 107 0.534 6.704 49.826 1.00 22.27 N +ATOM 831 CA PRO A 107 1.638 6.329 48.917 1.00 21.19 C +ATOM 832 C PRO A 107 1.011 5.510 47.810 1.00 23.25 C +ATOM 833 O PRO A 107 0.141 4.688 48.173 1.00 23.73 O +ATOM 834 CB PRO A 107 2.586 5.492 49.685 1.00 23.35 C +ATOM 835 CG PRO A 107 1.966 5.419 51.123 1.00 25.03 C +ATOM 836 CD PRO A 107 0.528 5.833 51.049 1.00 21.59 C +ATOM 837 N ILE A 108 1.388 5.744 46.566 1.00 20.48 N +ATOM 838 CA ILE A 108 0.812 5.081 45.397 1.00 19.11 C +ATOM 839 C ILE A 108 1.842 4.209 44.688 1.00 20.39 C +ATOM 840 O ILE A 108 1.619 2.986 44.489 1.00 20.35 O +ATOM 841 CB ILE A 108 0.203 6.157 44.376 1.00 17.76 C +ATOM 842 CG1 ILE A 108 -0.820 7.134 44.985 1.00 19.36 C +ATOM 843 CG2 ILE A 108 -0.363 5.481 43.115 1.00 22.68 C +ATOM 844 CD1 ILE A 108 -2.163 6.666 45.614 1.00 20.72 C +ATOM 845 N ALA A 109 3.045 4.788 44.414 1.00 17.12 N +ATOM 846 CA ALA A 109 4.029 3.991 43.618 1.00 18.16 C +ATOM 847 C ALA A 109 5.391 4.510 43.851 1.00 16.34 C +ATOM 848 O ALA A 109 5.536 5.681 44.292 1.00 19.36 O +ATOM 849 CB ALA A 109 3.693 4.114 42.090 1.00 19.32 C +ATOM 850 N VAL A 110 6.392 3.757 43.616 1.00 16.63 N +ATOM 851 CA VAL A 110 7.815 3.914 43.813 1.00 19.47 C +ATOM 852 C VAL A 110 8.466 4.093 42.441 1.00 19.31 C +ATOM 853 O VAL A 110 8.361 3.235 41.575 1.00 19.56 O +ATOM 854 CB VAL A 110 8.432 2.783 44.667 1.00 19.26 C +ATOM 855 CG1 VAL A 110 9.900 3.053 44.739 1.00 18.84 C +ATOM 856 CG2 VAL A 110 7.627 2.709 45.946 1.00 24.54 C +ATOM 857 N GLU A 111 8.946 5.363 42.375 1.00 19.12 N +ATOM 858 CA GLU A 111 9.575 5.813 41.060 1.00 18.05 C +ATOM 859 C GLU A 111 11.055 5.901 41.097 1.00 17.63 C +ATOM 860 O GLU A 111 11.665 6.478 42.044 1.00 17.48 O +ATOM 861 CB GLU A 111 8.944 7.213 40.782 1.00 15.13 C +ATOM 862 CG GLU A 111 7.445 7.353 40.682 1.00 15.53 C +ATOM 863 CD GLU A 111 7.095 8.754 40.327 1.00 14.88 C +ATOM 864 OE1 GLU A 111 7.896 9.661 40.337 1.00 20.98 O +ATOM 865 OE2 GLU A 111 5.939 8.935 39.907 1.00 17.19 O +ATOM 866 N ALA A 112 11.859 5.306 40.131 1.00 16.11 N +ATOM 867 CA ALA A 112 13.287 5.450 40.066 1.00 16.29 C +ATOM 868 C ALA A 112 13.596 5.540 38.535 1.00 16.18 C +ATOM 869 O ALA A 112 12.853 4.921 37.758 1.00 17.75 O +ATOM 870 CB ALA A 112 14.104 4.403 40.727 1.00 17.57 C +ATOM 871 N LEU A 113 14.524 6.373 38.197 1.00 15.81 N +ATOM 872 CA LEU A 113 14.992 6.475 36.795 1.00 16.31 C +ATOM 873 C LEU A 113 15.779 5.207 36.435 1.00 17.37 C +ATOM 874 O LEU A 113 16.563 4.592 37.259 1.00 16.95 O +ATOM 875 CB LEU A 113 15.948 7.690 36.724 1.00 12.97 C +ATOM 876 CG LEU A 113 15.269 9.058 36.830 1.00 16.08 C +ATOM 877 CD1 LEU A 113 16.309 10.173 36.962 1.00 15.89 C +ATOM 878 CD2 LEU A 113 14.344 9.371 35.594 1.00 14.66 C +ATOM 879 N SER A 114 15.751 4.800 35.164 1.00 17.56 N +ATOM 880 CA SER A 114 16.506 3.673 34.557 1.00 16.88 C +ATOM 881 C SER A 114 17.190 4.079 33.203 1.00 16.45 C +ATOM 882 O SER A 114 16.855 5.167 32.777 1.00 15.05 O +ATOM 883 CB SER A 114 15.566 2.522 34.240 1.00 17.43 C +ATOM 884 OG SER A 114 15.273 1.908 35.456 1.00 18.50 O +ATOM 885 N LEU A 115 18.155 3.274 32.804 1.00 16.59 N +ATOM 886 CA LEU A 115 18.773 3.520 31.496 1.00 18.16 C +ATOM 887 C LEU A 115 17.830 2.804 30.543 1.00 15.78 C +ATOM 888 O LEU A 115 17.542 1.609 30.725 1.00 17.76 O +ATOM 889 CB LEU A 115 20.123 2.905 31.515 1.00 21.46 C +ATOM 890 CG LEU A 115 21.367 3.289 30.653 1.00 25.25 C +ATOM 891 CD1 LEU A 115 22.063 2.092 30.030 1.00 26.37 C +ATOM 892 CD2 LEU A 115 21.141 4.471 29.735 1.00 23.62 C +ATOM 893 N ILE A 116 17.356 3.439 29.514 1.00 18.00 N +ATOM 894 CA ILE A 116 16.518 2.842 28.423 1.00 17.85 C +ATOM 895 C ILE A 116 17.381 2.852 27.162 1.00 19.11 C +ATOM 896 O ILE A 116 17.993 3.907 26.830 1.00 19.58 O +ATOM 897 CB ILE A 116 15.229 3.671 28.236 1.00 18.14 C +ATOM 898 CG1 ILE A 116 14.512 3.780 29.674 1.00 15.11 C +ATOM 899 CG2 ILE A 116 14.332 3.194 27.070 1.00 17.15 C +ATOM 900 CD1 ILE A 116 13.363 4.821 29.656 1.00 15.93 C +ATOM 901 N TYR A 117 17.464 1.703 26.513 1.00 21.13 N +ATOM 902 CA TYR A 117 18.417 1.714 25.319 1.00 21.95 C +ATOM 903 C TYR A 117 17.671 1.037 24.174 1.00 25.23 C +ATOM 904 O TYR A 117 16.705 0.223 24.470 1.00 23.97 O +ATOM 905 CB TYR A 117 19.736 1.067 25.685 1.00 18.27 C +ATOM 906 CG TYR A 117 19.578 -0.360 26.080 1.00 18.45 C +ATOM 907 CD1 TYR A 117 19.042 -0.837 27.268 1.00 17.53 C +ATOM 908 CD2 TYR A 117 19.981 -1.387 25.125 1.00 21.09 C +ATOM 909 CE1 TYR A 117 18.933 -2.183 27.549 1.00 19.38 C +ATOM 910 CE2 TYR A 117 19.920 -2.741 25.387 1.00 21.48 C +ATOM 911 CZ TYR A 117 19.408 -3.113 26.584 1.00 22.33 C +ATOM 912 OH TYR A 117 19.323 -4.438 26.903 1.00 26.17 O +ATOM 913 N ASN A 118 18.170 1.426 22.968 1.00 24.59 N +ATOM 914 CA ASN A 118 17.557 0.905 21.693 1.00 25.44 C +ATOM 915 C ASN A 118 18.289 -0.377 21.386 1.00 26.69 C +ATOM 916 O ASN A 118 19.506 -0.222 21.069 1.00 27.32 O +ATOM 917 CB ASN A 118 17.711 1.981 20.627 1.00 26.59 C +ATOM 918 CG ASN A 118 17.049 1.629 19.274 1.00 27.12 C +ATOM 919 OD1 ASN A 118 17.115 0.418 19.004 1.00 29.87 O +ATOM 920 ND2 ASN A 118 16.462 2.559 18.601 1.00 21.35 N +ATOM 921 N LYS A 119 17.635 -1.513 21.540 1.00 29.38 N +ATOM 922 CA LYS A 119 18.309 -2.819 21.311 1.00 32.47 C +ATOM 923 C LYS A 119 18.879 -3.061 19.880 1.00 33.14 C +ATOM 924 O LYS A 119 19.770 -3.886 19.725 1.00 32.70 O +ATOM 925 CB LYS A 119 17.404 -4.007 21.582 1.00 31.77 C +ATOM 926 CG LYS A 119 17.518 -4.488 22.999 1.00 35.09 C +ATOM 927 CD LYS A 119 16.296 -5.225 23.514 1.00 35.12 C +ATOM 928 CE LYS A 119 16.359 -5.642 24.965 1.00 34.21 C +ATOM 929 NZ LYS A 119 15.217 -6.488 25.378 1.00 35.24 N +ATOM 930 N ASP A 120 18.318 -2.288 19.006 1.00 35.33 N +ATOM 931 CA ASP A 120 18.693 -2.341 17.588 1.00 39.15 C +ATOM 932 C ASP A 120 19.923 -1.476 17.348 1.00 39.04 C +ATOM 933 O ASP A 120 20.636 -1.927 16.409 1.00 40.70 O +ATOM 934 CB ASP A 120 17.515 -2.047 16.656 1.00 41.65 C +ATOM 935 CG ASP A 120 16.435 -3.096 16.637 1.00 43.82 C +ATOM 936 OD1 ASP A 120 16.684 -4.294 16.979 1.00 45.34 O +ATOM 937 OD2 ASP A 120 15.294 -2.709 16.301 1.00 45.82 O +ATOM 938 N LEU A 121 20.172 -0.364 17.982 1.00 38.50 N +ATOM 939 CA LEU A 121 21.423 0.389 17.801 1.00 36.34 C +ATOM 940 C LEU A 121 22.451 -0.169 18.791 1.00 37.77 C +ATOM 941 O LEU A 121 23.648 -0.044 18.491 1.00 38.65 O +ATOM 942 CB LEU A 121 21.275 1.875 18.047 1.00 36.56 C +ATOM 943 CG LEU A 121 20.402 2.698 17.131 1.00 39.79 C +ATOM 944 CD1 LEU A 121 20.271 4.197 17.459 1.00 38.11 C +ATOM 945 CD2 LEU A 121 21.197 2.503 15.817 1.00 40.75 C +ATOM 946 N LEU A 122 22.036 -0.712 19.908 1.00 39.02 N +ATOM 947 CA LEU A 122 22.901 -1.158 21.038 1.00 40.84 C +ATOM 948 C LEU A 122 22.415 -2.372 21.784 1.00 40.90 C +ATOM 949 O LEU A 122 21.783 -2.245 22.858 1.00 40.10 O +ATOM 950 CB LEU A 122 22.843 0.074 22.038 1.00 37.41 C +ATOM 951 CG LEU A 122 24.045 0.545 22.773 1.00 36.20 C +ATOM 952 CD1 LEU A 122 25.172 1.133 21.918 1.00 31.92 C +ATOM 953 CD2 LEU A 122 23.560 1.681 23.729 1.00 35.75 C +ATOM 954 N PRO A 123 22.602 -3.527 21.227 1.00 42.48 N +ATOM 955 CA PRO A 123 22.122 -4.771 21.828 1.00 42.51 C +ATOM 956 C PRO A 123 22.633 -4.856 23.250 1.00 42.49 C +ATOM 957 O PRO A 123 21.889 -5.396 24.116 1.00 44.14 O +ATOM 958 CB PRO A 123 22.697 -5.851 20.907 1.00 43.39 C +ATOM 959 CG PRO A 123 23.921 -5.160 20.290 1.00 43.08 C +ATOM 960 CD PRO A 123 23.281 -3.797 19.929 1.00 43.36 C +ATOM 961 N ASN A 124 23.848 -4.411 23.500 1.00 40.11 N +ATOM 962 CA ASN A 124 24.436 -4.430 24.893 1.00 39.28 C +ATOM 963 C ASN A 124 24.699 -2.983 25.408 1.00 35.36 C +ATOM 964 O ASN A 124 25.544 -2.200 24.866 1.00 35.83 O +ATOM 965 CB ASN A 124 25.688 -5.242 24.919 1.00 43.22 C +ATOM 966 CG ASN A 124 25.888 -6.630 24.398 1.00 45.68 C +ATOM 967 OD1 ASN A 124 25.135 -7.621 24.520 1.00 46.42 O +ATOM 968 ND2 ASN A 124 27.121 -6.708 23.831 1.00 48.20 N +ATOM 969 N PRO A 125 24.023 -2.653 26.478 1.00 32.94 N +ATOM 970 CA PRO A 125 24.146 -1.284 27.048 1.00 32.58 C +ATOM 971 C PRO A 125 25.483 -1.158 27.717 1.00 32.47 C +ATOM 972 O PRO A 125 26.119 -2.126 28.132 1.00 32.68 O +ATOM 973 CB PRO A 125 22.934 -1.129 27.895 1.00 31.36 C +ATOM 974 CG PRO A 125 22.571 -2.546 28.323 1.00 33.73 C +ATOM 975 CD PRO A 125 23.048 -3.488 27.189 1.00 32.55 C +ATOM 976 N PRO A 126 26.015 0.050 27.726 1.00 32.55 N +ATOM 977 CA PRO A 126 27.316 0.333 28.373 1.00 33.12 C +ATOM 978 C PRO A 126 27.197 0.107 29.898 1.00 32.17 C +ATOM 979 O PRO A 126 26.114 0.402 30.493 1.00 32.16 O +ATOM 980 CB PRO A 126 27.654 1.792 27.990 1.00 33.63 C +ATOM 981 CG PRO A 126 26.534 2.218 27.065 1.00 34.70 C +ATOM 982 CD PRO A 126 25.313 1.286 27.272 1.00 33.73 C +ATOM 983 N LYS A 127 28.244 -0.322 30.560 1.00 29.30 N +ATOM 984 CA LYS A 127 28.123 -0.543 32.003 1.00 30.59 C +ATOM 985 C LYS A 127 28.671 0.640 32.807 1.00 29.38 C +ATOM 986 O LYS A 127 28.465 0.821 34.026 1.00 27.74 O +ATOM 987 CB LYS A 127 28.815 -1.906 32.256 1.00 35.30 C +ATOM 988 CG LYS A 127 27.672 -2.976 32.501 1.00 41.24 C +ATOM 989 CD LYS A 127 27.409 -3.916 31.380 1.00 47.13 C +ATOM 990 CE LYS A 127 25.965 -4.441 31.151 1.00 48.12 C +ATOM 991 NZ LYS A 127 25.942 -4.992 29.743 1.00 49.46 N +ATOM 992 N THR A 128 29.275 1.560 32.043 1.00 26.29 N +ATOM 993 CA THR A 128 30.002 2.696 32.648 1.00 26.05 C +ATOM 994 C THR A 128 29.751 3.992 31.985 1.00 25.56 C +ATOM 995 O THR A 128 29.543 4.077 30.763 1.00 24.55 O +ATOM 996 CB THR A 128 31.509 2.123 32.488 1.00 25.96 C +ATOM 997 OG1 THR A 128 31.980 1.657 33.780 1.00 29.55 O +ATOM 998 CG2 THR A 128 32.328 2.998 31.601 1.00 25.62 C +ATOM 999 N TRP A 129 29.686 5.095 32.775 1.00 22.57 N +ATOM 1000 CA TRP A 129 29.465 6.386 32.176 1.00 21.86 C +ATOM 1001 C TRP A 129 30.691 6.689 31.289 1.00 21.46 C +ATOM 1002 O TRP A 129 30.647 7.383 30.271 1.00 21.15 O +ATOM 1003 CB TRP A 129 29.350 7.436 33.317 1.00 23.76 C +ATOM 1004 CG TRP A 129 27.973 7.644 33.848 1.00 24.64 C +ATOM 1005 CD1 TRP A 129 27.344 7.148 34.971 1.00 21.70 C +ATOM 1006 CD2 TRP A 129 26.994 8.467 33.156 1.00 23.36 C +ATOM 1007 NE1 TRP A 129 25.993 7.569 35.025 1.00 19.15 N +ATOM 1008 CE2 TRP A 129 25.784 8.394 33.975 1.00 22.69 C +ATOM 1009 CE3 TRP A 129 27.112 9.224 31.981 1.00 20.23 C +ATOM 1010 CZ2 TRP A 129 24.633 9.125 33.644 1.00 19.81 C +ATOM 1011 CZ3 TRP A 129 25.978 9.965 31.693 1.00 22.64 C +ATOM 1012 CH2 TRP A 129 24.821 9.925 32.549 1.00 22.50 C +ATOM 1013 N GLU A 130 31.842 6.199 31.802 1.00 22.82 N +ATOM 1014 CA GLU A 130 33.126 6.541 31.119 1.00 24.25 C +ATOM 1015 C GLU A 130 33.219 6.034 29.700 1.00 25.21 C +ATOM 1016 O GLU A 130 33.899 6.714 28.877 1.00 26.38 O +ATOM 1017 CB GLU A 130 34.312 5.985 31.893 1.00 23.64 C +ATOM 1018 CG GLU A 130 34.639 6.512 33.275 1.00 23.29 C +ATOM 1019 CD GLU A 130 33.820 6.110 34.451 1.00 23.53 C +ATOM 1020 OE1 GLU A 130 32.810 5.417 34.290 1.00 25.25 O +ATOM 1021 OE2 GLU A 130 34.245 6.492 35.507 1.00 22.59 O +ATOM 1022 N GLU A 131 32.555 4.966 29.351 1.00 26.58 N +ATOM 1023 CA GLU A 131 32.687 4.538 27.900 1.00 28.26 C +ATOM 1024 C GLU A 131 31.685 5.175 27.016 1.00 29.45 C +ATOM 1025 O GLU A 131 31.565 4.850 25.804 1.00 31.04 O +ATOM 1026 CB GLU A 131 32.585 3.038 27.821 1.00 29.03 C +ATOM 1027 CG GLU A 131 31.257 2.417 28.043 1.00 32.54 C +ATOM 1028 CD GLU A 131 31.238 1.034 28.644 1.00 37.41 C +ATOM 1029 OE1 GLU A 131 31.296 0.638 29.811 1.00 34.16 O +ATOM 1030 OE2 GLU A 131 31.135 0.166 27.697 1.00 40.94 O +ATOM 1031 N ILE A 132 30.963 6.168 27.483 1.00 27.99 N +ATOM 1032 CA ILE A 132 29.934 6.793 26.670 1.00 29.27 C +ATOM 1033 C ILE A 132 30.536 7.669 25.596 1.00 28.86 C +ATOM 1034 O ILE A 132 30.010 7.680 24.485 1.00 26.35 O +ATOM 1035 CB ILE A 132 28.836 7.449 27.638 1.00 31.57 C +ATOM 1036 CG1 ILE A 132 28.032 6.218 28.228 1.00 31.14 C +ATOM 1037 CG2 ILE A 132 27.918 8.499 27.031 1.00 32.36 C +ATOM 1038 CD1 ILE A 132 26.841 6.685 29.152 1.00 31.26 C +ATOM 1039 N PRO A 133 31.564 8.425 25.897 1.00 28.91 N +ATOM 1040 CA PRO A 133 32.157 9.342 24.872 1.00 31.07 C +ATOM 1041 C PRO A 133 32.598 8.567 23.602 1.00 31.73 C +ATOM 1042 O PRO A 133 32.226 9.090 22.506 1.00 29.60 O +ATOM 1043 CB PRO A 133 33.235 10.139 25.597 1.00 28.81 C +ATOM 1044 CG PRO A 133 32.754 10.004 27.071 1.00 28.14 C +ATOM 1045 CD PRO A 133 32.302 8.503 27.152 1.00 28.79 C +ATOM 1046 N ALA A 134 33.318 7.463 23.823 1.00 31.30 N +ATOM 1047 CA ALA A 134 33.800 6.605 22.741 1.00 33.72 C +ATOM 1048 C ALA A 134 32.622 6.102 21.890 1.00 36.08 C +ATOM 1049 O ALA A 134 32.423 6.103 20.647 1.00 35.96 O +ATOM 1050 CB ALA A 134 34.529 5.397 23.285 1.00 31.65 C +ATOM 1051 N LEU A 135 31.656 5.661 22.700 1.00 34.15 N +ATOM 1052 CA LEU A 135 30.445 5.131 22.063 1.00 34.93 C +ATOM 1053 C LEU A 135 29.796 6.160 21.167 1.00 33.16 C +ATOM 1054 O LEU A 135 29.376 5.743 20.043 1.00 33.26 O +ATOM 1055 CB LEU A 135 29.680 4.547 23.238 1.00 39.50 C +ATOM 1056 CG LEU A 135 28.564 3.612 23.005 1.00 41.83 C +ATOM 1057 CD1 LEU A 135 28.801 2.802 21.706 1.00 47.69 C +ATOM 1058 CD2 LEU A 135 28.560 2.584 24.177 1.00 45.01 C +ATOM 1059 N ASP A 136 29.671 7.398 21.520 1.00 30.98 N +ATOM 1060 CA ASP A 136 29.034 8.489 20.776 1.00 32.77 C +ATOM 1061 C ASP A 136 29.795 8.762 19.419 1.00 33.00 C +ATOM 1062 O ASP A 136 29.090 9.043 18.463 1.00 32.16 O +ATOM 1063 CB ASP A 136 28.971 9.772 21.588 1.00 28.33 C +ATOM 1064 CG ASP A 136 28.260 10.882 20.962 1.00 25.93 C +ATOM 1065 OD1 ASP A 136 27.068 10.763 20.778 1.00 27.43 O +ATOM 1066 OD2 ASP A 136 28.822 11.936 20.566 1.00 26.00 O +ATOM 1067 N LYS A 137 31.093 8.708 19.609 1.00 34.67 N +ATOM 1068 CA LYS A 137 32.082 8.878 18.517 1.00 37.30 C +ATOM 1069 C LYS A 137 31.658 7.898 17.382 1.00 37.40 C +ATOM 1070 O LYS A 137 31.547 8.337 16.212 1.00 39.63 O +ATOM 1071 CB LYS A 137 33.465 8.503 18.836 1.00 39.09 C +ATOM 1072 CG LYS A 137 34.584 8.924 19.662 1.00 46.92 C +ATOM 1073 CD LYS A 137 35.710 9.768 19.032 1.00 49.26 C +ATOM 1074 CE LYS A 137 36.352 9.060 17.851 1.00 52.78 C +ATOM 1075 NZ LYS A 137 36.712 9.901 16.659 1.00 51.95 N +ATOM 1076 N GLU A 138 31.506 6.657 17.706 1.00 36.37 N +ATOM 1077 CA GLU A 138 31.131 5.567 16.792 1.00 38.49 C +ATOM 1078 C GLU A 138 29.771 5.708 16.157 1.00 38.52 C +ATOM 1079 O GLU A 138 29.541 5.565 14.852 1.00 39.03 O +ATOM 1080 CB GLU A 138 31.322 4.250 17.584 1.00 44.58 C +ATOM 1081 CG GLU A 138 31.231 2.942 16.852 1.00 55.47 C +ATOM 1082 CD GLU A 138 30.385 1.813 17.385 1.00 62.97 C +ATOM 1083 OE1 GLU A 138 30.769 1.052 18.312 1.00 67.50 O +ATOM 1084 OE2 GLU A 138 29.205 1.648 16.863 1.00 65.91 O +ATOM 1085 N LEU A 139 28.747 6.087 16.923 1.00 34.54 N +ATOM 1086 CA LEU A 139 27.379 6.218 16.456 1.00 31.46 C +ATOM 1087 C LEU A 139 27.255 7.428 15.568 1.00 30.26 C +ATOM 1088 O LEU A 139 26.443 7.412 14.653 1.00 28.42 O +ATOM 1089 CB LEU A 139 26.496 6.315 17.760 1.00 29.40 C +ATOM 1090 CG LEU A 139 26.319 4.913 18.331 1.00 31.35 C +ATOM 1091 CD1 LEU A 139 25.802 4.838 19.755 1.00 30.17 C +ATOM 1092 CD2 LEU A 139 25.261 4.245 17.425 1.00 31.91 C +ATOM 1093 N LYS A 140 27.915 8.488 15.908 1.00 30.18 N +ATOM 1094 CA LYS A 140 27.885 9.780 15.257 1.00 32.84 C +ATOM 1095 C LYS A 140 28.353 9.786 13.782 1.00 34.06 C +ATOM 1096 O LYS A 140 27.988 10.749 13.069 1.00 34.27 O +ATOM 1097 CB LYS A 140 28.795 10.733 16.063 1.00 34.78 C +ATOM 1098 CG LYS A 140 28.098 12.024 16.486 1.00 37.71 C +ATOM 1099 CD LYS A 140 27.192 11.899 17.633 1.00 40.28 C +ATOM 1100 CE LYS A 140 26.706 13.215 18.238 1.00 41.69 C +ATOM 1101 NZ LYS A 140 27.399 13.479 19.505 1.00 41.23 N +ATOM 1102 N ALA A 141 29.199 8.859 13.488 1.00 33.89 N +ATOM 1103 CA ALA A 141 29.829 8.499 12.246 1.00 37.28 C +ATOM 1104 C ALA A 141 28.768 7.876 11.334 1.00 39.10 C +ATOM 1105 O ALA A 141 28.751 7.767 10.058 1.00 39.46 O +ATOM 1106 CB ALA A 141 30.962 7.471 12.526 1.00 32.82 C +ATOM 1107 N LYS A 142 27.733 7.409 12.009 1.00 40.23 N +ATOM 1108 CA LYS A 142 26.545 6.718 11.422 1.00 39.72 C +ATOM 1109 C LYS A 142 25.279 7.568 11.480 1.00 37.42 C +ATOM 1110 O LYS A 142 24.146 7.027 11.255 1.00 38.80 O +ATOM 1111 CB LYS A 142 26.519 5.416 12.193 1.00 45.85 C +ATOM 1112 CG LYS A 142 25.419 4.444 12.319 1.00 52.15 C +ATOM 1113 CD LYS A 142 25.357 3.596 13.589 1.00 55.05 C +ATOM 1114 CE LYS A 142 26.666 3.127 14.222 1.00 56.87 C +ATOM 1115 NZ LYS A 142 26.426 1.746 14.801 1.00 58.67 N +ATOM 1116 N GLY A 143 25.377 8.849 11.717 1.00 33.77 N +ATOM 1117 CA GLY A 143 24.403 9.876 11.883 1.00 33.48 C +ATOM 1118 C GLY A 143 23.620 9.839 13.225 1.00 35.29 C +ATOM 1119 O GLY A 143 22.631 10.619 13.312 1.00 35.98 O +ATOM 1120 N LYS A 144 23.921 9.000 14.194 1.00 35.17 N +ATOM 1121 CA LYS A 144 23.218 8.844 15.491 1.00 35.16 C +ATOM 1122 C LYS A 144 24.012 9.459 16.644 1.00 35.75 C +ATOM 1123 O LYS A 144 24.980 10.225 16.415 1.00 38.19 O +ATOM 1124 CB LYS A 144 22.949 7.395 15.876 1.00 35.87 C +ATOM 1125 CG LYS A 144 22.443 6.460 14.823 1.00 35.99 C +ATOM 1126 CD LYS A 144 21.036 6.075 14.663 1.00 33.97 C +ATOM 1127 CE LYS A 144 20.180 7.068 13.925 1.00 38.75 C +ATOM 1128 NZ LYS A 144 19.044 6.314 13.281 1.00 38.43 N +ATOM 1129 N SER A 145 23.500 9.239 17.888 1.00 34.06 N +ATOM 1130 CA SER A 145 24.133 9.702 19.163 1.00 28.65 C +ATOM 1131 C SER A 145 23.901 8.582 20.223 1.00 23.82 C +ATOM 1132 O SER A 145 23.001 7.780 20.078 1.00 22.93 O +ATOM 1133 CB SER A 145 23.728 11.013 19.723 1.00 31.63 C +ATOM 1134 OG SER A 145 22.383 11.199 19.917 1.00 27.82 O +ATOM 1135 N ALA A 146 24.792 8.593 21.155 1.00 20.93 N +ATOM 1136 CA ALA A 146 24.775 7.628 22.196 1.00 19.86 C +ATOM 1137 C ALA A 146 23.649 7.892 23.204 1.00 19.94 C +ATOM 1138 O ALA A 146 23.000 6.951 23.609 1.00 21.08 O +ATOM 1139 CB ALA A 146 26.157 7.671 22.899 1.00 21.37 C +ATOM 1140 N LEU A 147 23.475 9.108 23.689 1.00 21.36 N +ATOM 1141 CA LEU A 147 22.561 9.427 24.770 1.00 21.37 C +ATOM 1142 C LEU A 147 21.951 10.756 24.782 1.00 22.34 C +ATOM 1143 O LEU A 147 22.687 11.779 24.540 1.00 25.69 O +ATOM 1144 CB LEU A 147 23.510 9.166 26.075 1.00 21.18 C +ATOM 1145 CG LEU A 147 22.834 9.704 27.401 1.00 19.46 C +ATOM 1146 CD1 LEU A 147 21.742 8.728 27.775 1.00 18.99 C +ATOM 1147 CD2 LEU A 147 23.874 9.666 28.476 1.00 22.26 C +ATOM 1148 N MET A 148 20.646 10.871 25.127 1.00 21.41 N +ATOM 1149 CA MET A 148 20.095 12.204 25.251 1.00 20.17 C +ATOM 1150 C MET A 148 19.099 12.118 26.386 1.00 19.47 C +ATOM 1151 O MET A 148 18.278 11.150 26.345 1.00 20.53 O +ATOM 1152 CB MET A 148 19.465 12.546 23.893 1.00 27.47 C +ATOM 1153 CG MET A 148 20.633 13.059 22.976 1.00 35.08 C +ATOM 1154 SD MET A 148 19.904 14.717 22.457 1.00 46.75 S +ATOM 1155 CE MET A 148 18.929 13.863 21.182 1.00 42.98 C +ATOM 1156 N PHE A 149 19.129 13.060 27.285 1.00 18.88 N +ATOM 1157 CA PHE A 149 18.078 12.987 28.421 1.00 19.68 C +ATOM 1158 C PHE A 149 17.851 14.415 28.854 1.00 18.60 C +ATOM 1159 O PHE A 149 18.684 15.375 28.532 1.00 19.25 O +ATOM 1160 CB PHE A 149 18.515 12.014 29.546 1.00 19.01 C +ATOM 1161 CG PHE A 149 19.710 12.438 30.282 1.00 20.43 C +ATOM 1162 CD1 PHE A 149 21.015 12.177 29.802 1.00 21.31 C +ATOM 1163 CD2 PHE A 149 19.544 13.190 31.466 1.00 20.80 C +ATOM 1164 CE1 PHE A 149 22.206 12.535 30.425 1.00 21.32 C +ATOM 1165 CE2 PHE A 149 20.727 13.522 32.140 1.00 21.42 C +ATOM 1166 CZ PHE A 149 22.064 13.274 31.626 1.00 23.43 C +ATOM 1167 N ASN A 150 16.797 14.626 29.603 1.00 19.32 N +ATOM 1168 CA ASN A 150 16.416 15.963 30.070 1.00 20.03 C +ATOM 1169 C ASN A 150 17.490 16.600 30.962 1.00 22.66 C +ATOM 1170 O ASN A 150 17.538 16.189 32.149 1.00 24.25 O +ATOM 1171 CB ASN A 150 15.083 15.914 30.815 1.00 19.28 C +ATOM 1172 CG ASN A 150 14.534 17.258 31.189 1.00 18.73 C +ATOM 1173 OD1 ASN A 150 15.109 18.351 30.884 1.00 20.25 O +ATOM 1174 ND2 ASN A 150 13.400 17.371 31.846 1.00 16.14 N +ATOM 1175 N LEU A 151 18.162 17.657 30.553 1.00 20.81 N +ATOM 1176 CA LEU A 151 19.160 18.367 31.294 1.00 21.48 C +ATOM 1177 C LEU A 151 18.607 19.600 32.032 1.00 19.34 C +ATOM 1178 O LEU A 151 19.390 20.171 32.835 1.00 22.89 O +ATOM 1179 CB LEU A 151 20.364 18.788 30.381 1.00 25.44 C +ATOM 1180 CG LEU A 151 21.236 17.826 29.682 1.00 23.21 C +ATOM 1181 CD1 LEU A 151 22.403 18.619 29.067 1.00 26.52 C +ATOM 1182 CD2 LEU A 151 21.863 16.771 30.613 1.00 26.43 C +ATOM 1183 N GLN A 152 17.396 19.936 31.792 1.00 19.02 N +ATOM 1184 CA GLN A 152 16.756 21.068 32.351 1.00 18.15 C +ATOM 1185 C GLN A 152 16.245 20.741 33.763 1.00 19.90 C +ATOM 1186 O GLN A 152 16.090 21.729 34.538 1.00 21.14 O +ATOM 1187 CB GLN A 152 15.589 21.588 31.512 1.00 19.90 C +ATOM 1188 CG GLN A 152 16.003 21.983 30.072 1.00 22.68 C +ATOM 1189 CD GLN A 152 17.369 22.594 29.985 1.00 29.43 C +ATOM 1190 OE1 GLN A 152 17.703 23.649 30.614 1.00 32.52 O +ATOM 1191 NE2 GLN A 152 18.280 21.940 29.258 1.00 29.24 N +ATOM 1192 N GLU A 153 15.950 19.566 34.152 1.00 19.66 N +ATOM 1193 CA GLU A 153 15.435 19.056 35.492 1.00 18.94 C +ATOM 1194 C GLU A 153 16.489 18.289 36.268 1.00 15.92 C +ATOM 1195 O GLU A 153 16.988 17.255 35.745 1.00 14.78 O +ATOM 1196 CB GLU A 153 14.168 18.215 35.200 1.00 17.08 C +ATOM 1197 CG GLU A 153 12.916 19.120 35.085 1.00 19.50 C +ATOM 1198 CD GLU A 153 12.481 19.954 36.237 1.00 23.65 C +ATOM 1199 OE1 GLU A 153 12.974 19.921 37.378 1.00 26.26 O +ATOM 1200 OE2 GLU A 153 11.689 20.876 36.066 1.00 28.40 O +ATOM 1201 N PRO A 154 16.875 18.840 37.451 1.00 16.54 N +ATOM 1202 CA PRO A 154 17.996 18.313 38.233 1.00 17.66 C +ATOM 1203 C PRO A 154 17.848 16.878 38.632 1.00 17.05 C +ATOM 1204 O PRO A 154 18.799 16.177 38.912 1.00 15.56 O +ATOM 1205 CB PRO A 154 18.201 19.321 39.422 1.00 16.88 C +ATOM 1206 CG PRO A 154 16.893 20.069 39.596 1.00 14.65 C +ATOM 1207 CD PRO A 154 16.372 20.097 38.096 1.00 16.95 C +ATOM 1208 N TYR A 155 16.560 16.473 38.633 1.00 17.84 N +ATOM 1209 CA TYR A 155 16.161 15.098 38.967 1.00 17.52 C +ATOM 1210 C TYR A 155 16.866 14.065 38.016 1.00 17.68 C +ATOM 1211 O TYR A 155 17.290 13.006 38.534 1.00 15.47 O +ATOM 1212 CB TYR A 155 14.683 14.891 38.778 1.00 15.96 C +ATOM 1213 CG TYR A 155 14.044 13.567 39.058 1.00 17.22 C +ATOM 1214 CD1 TYR A 155 13.805 13.113 40.408 1.00 15.10 C +ATOM 1215 CD2 TYR A 155 13.636 12.713 38.019 1.00 15.47 C +ATOM 1216 CE1 TYR A 155 13.150 11.942 40.613 1.00 12.71 C +ATOM 1217 CE2 TYR A 155 12.912 11.556 38.245 1.00 18.63 C +ATOM 1218 CZ TYR A 155 12.684 11.121 39.606 1.00 16.35 C +ATOM 1219 OH TYR A 155 12.033 9.935 39.696 1.00 14.77 O +ATOM 1220 N PHE A 156 17.083 14.498 36.771 1.00 17.87 N +ATOM 1221 CA PHE A 156 17.662 13.542 35.740 1.00 18.74 C +ATOM 1222 C PHE A 156 19.169 13.375 35.796 1.00 15.96 C +ATOM 1223 O PHE A 156 19.715 12.297 35.517 1.00 16.44 O +ATOM 1224 CB PHE A 156 17.109 14.011 34.371 1.00 16.91 C +ATOM 1225 CG PHE A 156 15.678 13.760 34.189 1.00 14.20 C +ATOM 1226 CD1 PHE A 156 15.292 12.566 33.622 1.00 15.82 C +ATOM 1227 CD2 PHE A 156 14.751 14.773 34.473 1.00 14.97 C +ATOM 1228 CE1 PHE A 156 13.947 12.297 33.394 1.00 16.32 C +ATOM 1229 CE2 PHE A 156 13.385 14.475 34.326 1.00 17.43 C +ATOM 1230 CZ PHE A 156 13.018 13.251 33.761 1.00 15.10 C +ATOM 1231 N THR A 157 19.730 14.511 36.248 1.00 16.55 N +ATOM 1232 CA THR A 157 21.187 14.607 36.451 1.00 19.13 C +ATOM 1233 C THR A 157 21.685 14.160 37.857 1.00 18.04 C +ATOM 1234 O THR A 157 22.863 13.801 37.917 1.00 16.39 O +ATOM 1235 CB THR A 157 21.713 16.042 36.071 1.00 19.65 C +ATOM 1236 OG1 THR A 157 20.925 17.040 36.805 1.00 24.06 O +ATOM 1237 CG2 THR A 157 21.573 16.240 34.565 1.00 18.96 C +ATOM 1238 N TRP A 158 20.879 14.247 38.927 1.00 15.63 N +ATOM 1239 CA TRP A 158 21.282 13.853 40.256 1.00 13.96 C +ATOM 1240 C TRP A 158 21.878 12.517 40.319 1.00 12.85 C +ATOM 1241 O TRP A 158 22.886 12.381 41.060 1.00 14.31 O +ATOM 1242 CB TRP A 158 19.973 13.879 41.152 1.00 16.97 C +ATOM 1243 CG TRP A 158 20.410 13.643 42.566 1.00 17.27 C +ATOM 1244 CD1 TRP A 158 20.221 12.506 43.308 1.00 17.36 C +ATOM 1245 CD2 TRP A 158 21.188 14.562 43.352 1.00 17.58 C +ATOM 1246 NE1 TRP A 158 20.794 12.674 44.560 1.00 18.30 N +ATOM 1247 CE2 TRP A 158 21.418 13.919 44.600 1.00 17.36 C +ATOM 1248 CE3 TRP A 158 21.714 15.844 43.096 1.00 15.95 C +ATOM 1249 CZ2 TRP A 158 22.097 14.537 45.619 1.00 16.45 C +ATOM 1250 CZ3 TRP A 158 22.511 16.413 44.081 1.00 16.21 C +ATOM 1251 CH2 TRP A 158 22.637 15.773 45.353 1.00 18.62 C +ATOM 1252 N PRO A 159 21.496 11.456 39.651 1.00 14.65 N +ATOM 1253 CA PRO A 159 22.179 10.139 39.824 1.00 15.35 C +ATOM 1254 C PRO A 159 23.664 10.138 39.596 1.00 17.00 C +ATOM 1255 O PRO A 159 24.461 9.407 40.229 1.00 15.38 O +ATOM 1256 CB PRO A 159 21.464 9.187 38.852 1.00 17.35 C +ATOM 1257 CG PRO A 159 20.227 9.897 38.347 1.00 14.75 C +ATOM 1258 CD PRO A 159 20.306 11.344 38.763 1.00 13.38 C +ATOM 1259 N LEU A 160 24.125 10.963 38.636 1.00 16.15 N +ATOM 1260 CA LEU A 160 25.553 11.047 38.332 1.00 17.64 C +ATOM 1261 C LEU A 160 26.295 11.886 39.399 1.00 19.03 C +ATOM 1262 O LEU A 160 27.464 11.657 39.732 1.00 17.80 O +ATOM 1263 CB LEU A 160 25.708 11.732 36.951 1.00 19.59 C +ATOM 1264 CG LEU A 160 26.820 11.568 35.979 1.00 24.01 C +ATOM 1265 CD1 LEU A 160 27.009 12.822 35.144 1.00 23.52 C +ATOM 1266 CD2 LEU A 160 28.131 11.016 36.464 1.00 21.49 C +ATOM 1267 N ILE A 161 25.607 12.985 39.831 1.00 17.61 N +ATOM 1268 CA ILE A 161 26.181 13.856 40.870 1.00 19.06 C +ATOM 1269 C ILE A 161 26.339 13.119 42.200 1.00 15.48 C +ATOM 1270 O ILE A 161 27.359 13.193 42.932 1.00 17.73 O +ATOM 1271 CB ILE A 161 25.277 15.153 41.048 1.00 19.32 C +ATOM 1272 CG1 ILE A 161 25.427 15.948 39.723 1.00 17.80 C +ATOM 1273 CG2 ILE A 161 25.638 15.949 42.317 1.00 17.58 C +ATOM 1274 CD1 ILE A 161 24.445 17.147 39.579 1.00 26.58 C +ATOM 1275 N ALA A 162 25.351 12.363 42.506 1.00 16.22 N +ATOM 1276 CA ALA A 162 25.404 11.598 43.751 1.00 15.36 C +ATOM 1277 C ALA A 162 26.294 10.402 43.617 1.00 18.02 C +ATOM 1278 O ALA A 162 26.746 9.939 44.710 1.00 18.02 O +ATOM 1279 CB ALA A 162 23.991 11.152 44.030 1.00 13.85 C +ATOM 1280 N ALA A 163 26.625 9.758 42.465 1.00 15.72 N +ATOM 1281 CA ALA A 163 27.381 8.530 42.375 1.00 14.97 C +ATOM 1282 C ALA A 163 28.645 8.449 43.163 1.00 16.66 C +ATOM 1283 O ALA A 163 28.884 7.475 43.916 1.00 16.94 O +ATOM 1284 CB ALA A 163 27.709 8.320 40.824 1.00 16.08 C +ATOM 1285 N ASP A 164 29.545 9.407 43.027 1.00 18.03 N +ATOM 1286 CA ASP A 164 30.852 9.452 43.690 1.00 20.53 C +ATOM 1287 C ASP A 164 30.766 10.218 45.023 1.00 22.27 C +ATOM 1288 O ASP A 164 31.848 10.567 45.554 1.00 21.20 O +ATOM 1289 CB ASP A 164 31.915 10.029 42.724 1.00 21.07 C +ATOM 1290 CG ASP A 164 33.364 9.854 43.220 1.00 25.94 C +ATOM 1291 OD1 ASP A 164 33.696 8.790 43.729 1.00 26.99 O +ATOM 1292 OD2 ASP A 164 34.043 10.944 43.108 1.00 28.83 O +ATOM 1293 N GLY A 165 29.579 10.475 45.565 1.00 23.05 N +ATOM 1294 CA GLY A 165 29.453 11.145 46.880 1.00 20.68 C +ATOM 1295 C GLY A 165 28.612 12.336 46.997 1.00 21.01 C +ATOM 1296 O GLY A 165 28.681 12.788 48.176 1.00 21.59 O +ATOM 1297 N GLY A 166 28.003 12.989 46.016 1.00 18.67 N +ATOM 1298 CA GLY A 166 27.192 14.211 46.280 1.00 18.91 C +ATOM 1299 C GLY A 166 26.043 13.782 47.120 1.00 18.36 C +ATOM 1300 O GLY A 166 25.593 12.616 47.113 1.00 17.37 O +ATOM 1301 N TYR A 167 25.458 14.694 47.900 1.00 19.38 N +ATOM 1302 CA TYR A 167 24.266 14.299 48.741 1.00 18.48 C +ATOM 1303 C TYR A 167 23.469 15.565 49.068 1.00 18.17 C +ATOM 1304 O TYR A 167 24.098 16.657 48.969 1.00 19.60 O +ATOM 1305 CB TYR A 167 24.541 13.501 50.036 1.00 17.22 C +ATOM 1306 CG TYR A 167 25.450 14.158 51.046 1.00 18.37 C +ATOM 1307 CD1 TYR A 167 24.844 15.002 52.014 1.00 14.44 C +ATOM 1308 CD2 TYR A 167 26.834 13.891 51.017 1.00 16.39 C +ATOM 1309 CE1 TYR A 167 25.681 15.613 52.940 1.00 16.23 C +ATOM 1310 CE2 TYR A 167 27.662 14.520 51.975 1.00 18.28 C +ATOM 1311 CZ TYR A 167 27.009 15.305 52.965 1.00 16.57 C +ATOM 1312 OH TYR A 167 27.859 15.955 53.867 1.00 17.88 O +ATOM 1313 N ALA A 168 22.184 15.399 49.329 1.00 16.38 N +ATOM 1314 CA ALA A 168 21.333 16.559 49.663 1.00 17.55 C +ATOM 1315 C ALA A 168 21.587 17.005 51.112 1.00 16.43 C +ATOM 1316 O ALA A 168 22.267 17.998 51.343 1.00 16.71 O +ATOM 1317 CB ALA A 168 19.851 16.252 49.280 1.00 15.16 C +ATOM 1318 N PHE A 169 21.019 16.376 52.087 1.00 16.65 N +ATOM 1319 CA PHE A 169 21.056 16.599 53.545 1.00 18.18 C +ATOM 1320 C PHE A 169 21.531 15.291 54.210 1.00 18.73 C +ATOM 1321 O PHE A 169 21.146 14.178 53.787 1.00 20.00 O +ATOM 1322 CB PHE A 169 19.641 17.044 54.041 1.00 17.00 C +ATOM 1323 CG PHE A 169 19.187 18.317 53.366 1.00 21.24 C +ATOM 1324 CD1 PHE A 169 19.772 19.566 53.711 1.00 19.53 C +ATOM 1325 CD2 PHE A 169 18.146 18.304 52.397 1.00 20.17 C +ATOM 1326 CE1 PHE A 169 19.346 20.727 53.120 1.00 20.94 C +ATOM 1327 CE2 PHE A 169 17.771 19.465 51.706 1.00 18.36 C +ATOM 1328 CZ PHE A 169 18.322 20.665 52.128 1.00 21.41 C +ATOM 1329 N LYS A 170 22.466 15.432 55.067 1.00 16.42 N +ATOM 1330 CA LYS A 170 23.008 14.346 55.852 1.00 19.52 C +ATOM 1331 C LYS A 170 21.893 13.922 56.854 1.00 25.16 C +ATOM 1332 O LYS A 170 21.265 14.817 57.443 1.00 23.27 O +ATOM 1333 CB LYS A 170 24.218 14.756 56.642 1.00 18.39 C +ATOM 1334 CG LYS A 170 24.945 13.675 57.369 1.00 24.00 C +ATOM 1335 CD LYS A 170 25.676 12.689 56.481 1.00 28.25 C +ATOM 1336 CE LYS A 170 26.993 13.220 55.939 1.00 32.53 C +ATOM 1337 NZ LYS A 170 27.822 14.096 56.841 1.00 30.72 N +ATOM 1338 N TYR A 171 21.622 12.627 56.863 1.00 27.38 N +ATOM 1339 CA TYR A 171 20.700 11.975 57.710 1.00 34.77 C +ATOM 1340 C TYR A 171 21.521 11.621 58.989 1.00 39.14 C +ATOM 1341 O TYR A 171 22.473 10.809 58.911 1.00 41.35 O +ATOM 1342 CB TYR A 171 20.113 10.697 57.096 1.00 40.41 C +ATOM 1343 CG TYR A 171 19.030 10.240 58.058 1.00 48.20 C +ATOM 1344 CD1 TYR A 171 17.815 10.947 58.096 1.00 50.76 C +ATOM 1345 CD2 TYR A 171 19.231 9.224 58.990 1.00 52.69 C +ATOM 1346 CE1 TYR A 171 16.764 10.560 58.916 1.00 54.59 C +ATOM 1347 CE2 TYR A 171 18.202 8.852 59.897 1.00 55.71 C +ATOM 1348 CZ TYR A 171 16.972 9.509 59.842 1.00 57.07 C +ATOM 1349 OH TYR A 171 15.972 9.199 60.751 1.00 59.64 O +ATOM 1350 N GLU A 172 21.286 12.262 60.119 1.00 41.29 N +ATOM 1351 CA GLU A 172 22.138 11.971 61.270 1.00 44.84 C +ATOM 1352 C GLU A 172 21.301 11.846 62.516 1.00 49.78 C +ATOM 1353 O GLU A 172 20.620 12.859 62.879 1.00 50.32 O +ATOM 1354 CB GLU A 172 23.021 13.212 61.453 1.00 44.88 C +ATOM 1355 CG GLU A 172 23.795 13.137 62.802 1.00 47.17 C +ATOM 1356 CD GLU A 172 24.821 12.015 62.751 1.00 49.17 C +ATOM 1357 OE1 GLU A 172 25.156 11.364 61.748 1.00 49.86 O +ATOM 1358 OE2 GLU A 172 25.274 11.902 63.912 1.00 49.72 O +ATOM 1359 N ASN A 173 21.279 10.674 63.123 1.00 54.43 N +ATOM 1360 CA ASN A 173 20.508 10.338 64.364 1.00 56.20 C +ATOM 1361 C ASN A 173 19.044 10.803 64.308 1.00 54.73 C +ATOM 1362 O ASN A 173 18.562 11.819 64.886 1.00 53.96 O +ATOM 1363 CB ASN A 173 21.273 10.719 65.605 1.00 61.89 C +ATOM 1364 CG ASN A 173 20.796 11.858 66.455 1.00 66.68 C +ATOM 1365 OD1 ASN A 173 20.584 11.689 67.707 1.00 69.43 O +ATOM 1366 ND2 ASN A 173 20.627 13.056 65.859 1.00 68.20 N +ATOM 1367 N GLY A 174 18.315 9.956 63.541 1.00 53.11 N +ATOM 1368 CA GLY A 174 16.875 10.139 63.369 1.00 51.08 C +ATOM 1369 C GLY A 174 16.386 11.368 62.602 1.00 48.26 C +ATOM 1370 O GLY A 174 15.144 11.513 62.392 1.00 47.86 O +ATOM 1371 N LYS A 175 17.379 12.205 62.204 1.00 43.97 N +ATOM 1372 CA LYS A 175 16.866 13.341 61.398 1.00 39.57 C +ATOM 1373 C LYS A 175 17.946 13.869 60.487 1.00 34.32 C +ATOM 1374 O LYS A 175 19.106 13.543 60.446 1.00 32.03 O +ATOM 1375 CB LYS A 175 16.086 14.224 62.334 1.00 45.04 C +ATOM 1376 CG LYS A 175 16.595 15.514 62.855 1.00 48.29 C +ATOM 1377 CD LYS A 175 17.353 15.337 64.160 1.00 53.19 C +ATOM 1378 CE LYS A 175 18.181 16.637 64.329 1.00 57.90 C +ATOM 1379 NZ LYS A 175 17.122 17.755 64.454 1.00 60.97 N +ATOM 1380 N TYR A 176 17.443 14.712 59.567 1.00 32.03 N +ATOM 1381 CA TYR A 176 18.196 15.411 58.561 1.00 27.31 C +ATOM 1382 C TYR A 176 18.776 16.704 59.166 1.00 26.63 C +ATOM 1383 O TYR A 176 17.971 17.515 59.661 1.00 24.94 O +ATOM 1384 CB TYR A 176 17.288 15.832 57.367 1.00 26.98 C +ATOM 1385 CG TYR A 176 17.036 14.617 56.476 1.00 25.30 C +ATOM 1386 CD1 TYR A 176 18.012 14.074 55.674 1.00 24.47 C +ATOM 1387 CD2 TYR A 176 15.766 14.021 56.564 1.00 26.58 C +ATOM 1388 CE1 TYR A 176 17.762 12.921 54.942 1.00 26.71 C +ATOM 1389 CE2 TYR A 176 15.481 12.848 55.834 1.00 24.27 C +ATOM 1390 CZ TYR A 176 16.495 12.337 55.048 1.00 26.88 C +ATOM 1391 OH TYR A 176 16.194 11.177 54.359 1.00 30.46 O +ATOM 1392 N ASP A 177 20.082 16.824 58.975 1.00 22.24 N +ATOM 1393 CA ASP A 177 20.814 18.013 59.325 1.00 21.72 C +ATOM 1394 C ASP A 177 20.753 18.954 58.071 1.00 22.98 C +ATOM 1395 O ASP A 177 21.354 18.758 56.974 1.00 22.36 O +ATOM 1396 CB ASP A 177 22.220 17.695 59.810 1.00 20.48 C +ATOM 1397 CG ASP A 177 23.032 18.858 60.287 1.00 20.00 C +ATOM 1398 OD1 ASP A 177 22.716 20.037 59.984 1.00 21.11 O +ATOM 1399 OD2 ASP A 177 24.135 18.666 60.930 1.00 23.61 O +ATOM 1400 N ILE A 178 19.989 20.013 58.268 1.00 20.56 N +ATOM 1401 CA ILE A 178 19.766 21.042 57.269 1.00 21.01 C +ATOM 1402 C ILE A 178 20.967 21.920 56.971 1.00 22.14 C +ATOM 1403 O ILE A 178 21.050 22.651 55.914 1.00 21.96 O +ATOM 1404 CB ILE A 178 18.445 21.830 57.588 1.00 25.30 C +ATOM 1405 CG1 ILE A 178 18.564 22.717 58.859 1.00 26.02 C +ATOM 1406 CG2 ILE A 178 17.192 20.878 57.640 1.00 25.59 C +ATOM 1407 CD1 ILE A 178 17.646 24.020 58.690 1.00 28.97 C +ATOM 1408 N LYS A 179 21.992 21.788 57.825 1.00 21.35 N +ATOM 1409 CA LYS A 179 23.180 22.617 57.631 1.00 20.35 C +ATOM 1410 C LYS A 179 24.258 21.738 57.060 1.00 20.36 C +ATOM 1411 O LYS A 179 25.280 22.337 56.786 1.00 21.95 O +ATOM 1412 CB LYS A 179 23.638 23.216 58.950 1.00 25.32 C +ATOM 1413 CG LYS A 179 22.688 24.299 59.603 1.00 23.83 C +ATOM 1414 CD LYS A 179 22.345 25.314 58.528 1.00 29.38 C +ATOM 1415 CE LYS A 179 21.955 26.665 59.042 1.00 34.12 C +ATOM 1416 NZ LYS A 179 20.908 27.283 58.140 1.00 39.01 N +ATOM 1417 N ASP A 180 24.072 20.437 56.978 1.00 19.40 N +ATOM 1418 CA ASP A 180 25.063 19.533 56.391 1.00 18.28 C +ATOM 1419 C ASP A 180 24.538 19.080 54.989 1.00 18.53 C +ATOM 1420 O ASP A 180 23.811 18.154 54.817 1.00 19.18 O +ATOM 1421 CB ASP A 180 25.449 18.394 57.364 1.00 19.14 C +ATOM 1422 CG ASP A 180 26.481 17.392 56.828 1.00 18.04 C +ATOM 1423 OD1 ASP A 180 26.880 17.564 55.617 1.00 20.66 O +ATOM 1424 OD2 ASP A 180 26.948 16.443 57.488 1.00 19.45 O +ATOM 1425 N VAL A 181 25.057 19.779 53.930 1.00 18.25 N +ATOM 1426 CA VAL A 181 24.697 19.586 52.544 1.00 19.42 C +ATOM 1427 C VAL A 181 25.834 19.026 51.699 1.00 20.26 C +ATOM 1428 O VAL A 181 27.009 19.418 51.956 1.00 22.09 O +ATOM 1429 CB VAL A 181 24.099 20.952 52.017 1.00 19.84 C +ATOM 1430 CG1 VAL A 181 23.872 21.080 50.545 1.00 23.06 C +ATOM 1431 CG2 VAL A 181 22.789 21.337 52.784 1.00 22.24 C +ATOM 1432 N GLY A 182 25.633 18.200 50.654 1.00 19.30 N +ATOM 1433 CA GLY A 182 26.819 17.629 49.970 1.00 17.47 C +ATOM 1434 C GLY A 182 26.757 17.866 48.524 1.00 18.58 C +ATOM 1435 O GLY A 182 27.109 17.019 47.727 1.00 17.93 O +ATOM 1436 N VAL A 183 26.403 19.155 48.304 1.00 18.41 N +ATOM 1437 CA VAL A 183 26.238 19.575 46.845 1.00 19.05 C +ATOM 1438 C VAL A 183 27.515 20.123 46.325 1.00 21.56 C +ATOM 1439 O VAL A 183 27.725 20.097 45.088 1.00 23.71 O +ATOM 1440 CB VAL A 183 25.042 20.465 46.499 1.00 18.11 C +ATOM 1441 CG1 VAL A 183 23.680 20.025 47.026 1.00 16.33 C +ATOM 1442 CG2 VAL A 183 25.180 21.883 46.833 1.00 21.20 C +ATOM 1443 N ASP A 184 28.429 20.500 47.148 1.00 22.46 N +ATOM 1444 CA ASP A 184 29.700 21.035 46.686 1.00 21.61 C +ATOM 1445 C ASP A 184 30.872 20.210 47.112 1.00 21.88 C +ATOM 1446 O ASP A 184 32.024 20.769 47.251 1.00 25.88 O +ATOM 1447 CB ASP A 184 29.676 22.474 47.278 1.00 24.20 C +ATOM 1448 CG ASP A 184 30.870 23.211 46.797 1.00 28.76 C +ATOM 1449 OD1 ASP A 184 31.254 22.939 45.588 1.00 34.87 O +ATOM 1450 OD2 ASP A 184 31.463 24.010 47.498 1.00 31.18 O +ATOM 1451 N ASN A 185 30.674 18.972 47.483 1.00 20.12 N +ATOM 1452 CA ASN A 185 31.863 18.174 47.932 1.00 18.13 C +ATOM 1453 C ASN A 185 32.600 17.575 46.686 1.00 19.20 C +ATOM 1454 O ASN A 185 32.236 17.820 45.491 1.00 18.29 O +ATOM 1455 CB ASN A 185 31.324 17.188 48.976 1.00 20.37 C +ATOM 1456 CG ASN A 185 30.421 16.095 48.566 1.00 22.20 C +ATOM 1457 OD1 ASN A 185 30.299 15.777 47.303 1.00 22.18 O +ATOM 1458 ND2 ASN A 185 29.713 15.385 49.419 1.00 21.74 N +ATOM 1459 N ALA A 186 33.662 16.836 46.929 1.00 17.44 N +ATOM 1460 CA ALA A 186 34.482 16.287 45.862 1.00 19.37 C +ATOM 1461 C ALA A 186 33.638 15.350 45.002 1.00 19.66 C +ATOM 1462 O ALA A 186 33.935 15.386 43.754 1.00 22.04 O +ATOM 1463 CB ALA A 186 35.744 15.595 46.440 1.00 18.22 C +ATOM 1464 N GLY A 187 32.725 14.550 45.439 1.00 17.85 N +ATOM 1465 CA GLY A 187 31.970 13.637 44.538 1.00 18.40 C +ATOM 1466 C GLY A 187 31.026 14.327 43.632 1.00 16.98 C +ATOM 1467 O GLY A 187 30.782 13.974 42.446 1.00 16.61 O +ATOM 1468 N ALA A 188 30.375 15.325 44.210 1.00 16.28 N +ATOM 1469 CA ALA A 188 29.435 16.165 43.476 1.00 16.04 C +ATOM 1470 C ALA A 188 30.194 16.946 42.364 1.00 18.67 C +ATOM 1471 O ALA A 188 29.673 16.980 41.173 1.00 18.92 O +ATOM 1472 CB ALA A 188 28.704 17.121 44.403 1.00 16.65 C +ATOM 1473 N LYS A 189 31.341 17.500 42.716 1.00 18.63 N +ATOM 1474 CA LYS A 189 32.166 18.215 41.705 1.00 20.48 C +ATOM 1475 C LYS A 189 32.641 17.227 40.572 1.00 20.71 C +ATOM 1476 O LYS A 189 32.599 17.614 39.310 1.00 18.91 O +ATOM 1477 CB LYS A 189 33.410 18.941 42.250 1.00 17.18 C +ATOM 1478 CG LYS A 189 32.930 20.175 43.085 1.00 17.51 C +ATOM 1479 CD LYS A 189 34.120 20.844 43.813 1.00 18.61 C +ATOM 1480 CE LYS A 189 35.007 19.843 44.441 1.00 20.99 C +ATOM 1481 NZ LYS A 189 35.885 20.437 45.591 1.00 22.95 N +ATOM 1482 N ALA A 190 33.056 16.039 40.884 1.00 18.62 N +ATOM 1483 CA ALA A 190 33.535 15.067 39.872 1.00 19.71 C +ATOM 1484 C ALA A 190 32.420 14.717 38.862 1.00 19.64 C +ATOM 1485 O ALA A 190 32.689 14.678 37.660 1.00 18.88 O +ATOM 1486 CB ALA A 190 33.954 13.820 40.570 1.00 16.94 C +ATOM 1487 N GLY A 191 31.202 14.521 39.422 1.00 16.97 N +ATOM 1488 CA GLY A 191 29.984 14.197 38.709 1.00 18.06 C +ATOM 1489 C GLY A 191 29.537 15.241 37.725 1.00 18.40 C +ATOM 1490 O GLY A 191 29.368 14.940 36.515 1.00 15.97 O +ATOM 1491 N LEU A 192 29.409 16.502 38.241 1.00 19.22 N +ATOM 1492 CA LEU A 192 29.016 17.585 37.313 1.00 20.21 C +ATOM 1493 C LEU A 192 30.080 17.875 36.236 1.00 20.74 C +ATOM 1494 O LEU A 192 29.798 18.302 35.086 1.00 20.92 O +ATOM 1495 CB LEU A 192 28.551 18.781 38.210 1.00 22.81 C +ATOM 1496 CG LEU A 192 27.905 19.929 37.362 1.00 22.73 C +ATOM 1497 CD1 LEU A 192 26.677 19.397 36.587 1.00 22.91 C +ATOM 1498 CD2 LEU A 192 27.515 21.049 38.291 1.00 24.30 C +ATOM 1499 N THR A 193 31.343 17.751 36.611 1.00 21.29 N +ATOM 1500 CA THR A 193 32.469 17.989 35.683 1.00 22.73 C +ATOM 1501 C THR A 193 32.364 17.037 34.485 1.00 23.30 C +ATOM 1502 O THR A 193 32.483 17.439 33.377 1.00 22.21 O +ATOM 1503 CB THR A 193 33.882 17.713 36.317 1.00 24.68 C +ATOM 1504 OG1 THR A 193 34.002 18.881 37.214 1.00 23.91 O +ATOM 1505 CG2 THR A 193 35.033 17.631 35.297 1.00 23.78 C +ATOM 1506 N PHE A 194 32.163 15.808 34.779 1.00 22.25 N +ATOM 1507 CA PHE A 194 31.954 14.732 33.813 1.00 22.42 C +ATOM 1508 C PHE A 194 30.786 15.145 32.925 1.00 22.56 C +ATOM 1509 O PHE A 194 30.917 14.861 31.695 1.00 21.88 O +ATOM 1510 CB PHE A 194 31.707 13.338 34.398 1.00 23.49 C +ATOM 1511 CG PHE A 194 31.635 12.266 33.337 1.00 25.80 C +ATOM 1512 CD1 PHE A 194 32.827 11.713 32.864 1.00 26.27 C +ATOM 1513 CD2 PHE A 194 30.350 11.921 32.828 1.00 27.23 C +ATOM 1514 CE1 PHE A 194 32.760 10.780 31.789 1.00 27.24 C +ATOM 1515 CE2 PHE A 194 30.293 10.979 31.792 1.00 26.67 C +ATOM 1516 CZ PHE A 194 31.510 10.442 31.297 1.00 25.95 C +ATOM 1517 N LEU A 195 29.702 15.575 33.412 1.00 20.76 N +ATOM 1518 CA LEU A 195 28.586 15.967 32.585 1.00 22.60 C +ATOM 1519 C LEU A 195 28.960 17.140 31.633 1.00 20.42 C +ATOM 1520 O LEU A 195 28.503 17.178 30.488 1.00 21.34 O +ATOM 1521 CB LEU A 195 27.386 16.367 33.515 1.00 23.97 C +ATOM 1522 CG LEU A 195 26.119 16.795 32.681 1.00 27.45 C +ATOM 1523 CD1 LEU A 195 25.491 15.631 31.968 1.00 26.97 C +ATOM 1524 CD2 LEU A 195 25.180 17.545 33.634 1.00 25.98 C +ATOM 1525 N VAL A 196 29.548 18.157 32.147 1.00 21.83 N +ATOM 1526 CA VAL A 196 29.912 19.390 31.456 1.00 24.71 C +ATOM 1527 C VAL A 196 30.907 19.006 30.345 1.00 25.11 C +ATOM 1528 O VAL A 196 30.929 19.557 29.242 1.00 23.53 O +ATOM 1529 CB VAL A 196 30.409 20.458 32.492 1.00 24.75 C +ATOM 1530 CG1 VAL A 196 30.932 21.698 31.722 1.00 23.63 C +ATOM 1531 CG2 VAL A 196 29.360 20.860 33.452 1.00 24.70 C +ATOM 1532 N ASP A 197 31.781 18.037 30.615 1.00 25.17 N +ATOM 1533 CA ASP A 197 32.770 17.598 29.661 1.00 27.74 C +ATOM 1534 C ASP A 197 32.070 16.931 28.453 1.00 29.03 C +ATOM 1535 O ASP A 197 32.583 17.017 27.334 1.00 25.83 O +ATOM 1536 CB ASP A 197 33.779 16.716 30.284 1.00 32.08 C +ATOM 1537 CG ASP A 197 35.024 17.351 30.856 1.00 38.43 C +ATOM 1538 OD1 ASP A 197 35.246 18.586 30.967 1.00 40.92 O +ATOM 1539 OD2 ASP A 197 35.808 16.442 31.331 1.00 43.30 O +ATOM 1540 N LEU A 198 30.954 16.270 28.677 1.00 28.16 N +ATOM 1541 CA LEU A 198 30.153 15.593 27.671 1.00 28.86 C +ATOM 1542 C LEU A 198 29.652 16.639 26.676 1.00 29.29 C +ATOM 1543 O LEU A 198 29.659 16.376 25.486 1.00 32.61 O +ATOM 1544 CB LEU A 198 28.990 14.847 28.282 1.00 26.82 C +ATOM 1545 CG LEU A 198 29.213 13.467 28.867 1.00 27.84 C +ATOM 1546 CD1 LEU A 198 27.845 12.946 29.346 1.00 28.48 C +ATOM 1547 CD2 LEU A 198 29.798 12.467 27.855 1.00 27.80 C +ATOM 1548 N ILE A 199 29.230 17.720 27.240 1.00 29.17 N +ATOM 1549 CA ILE A 199 28.727 18.831 26.457 1.00 30.02 C +ATOM 1550 C ILE A 199 29.897 19.530 25.768 1.00 33.01 C +ATOM 1551 O ILE A 199 29.855 19.744 24.550 1.00 33.16 O +ATOM 1552 CB ILE A 199 27.920 19.791 27.357 1.00 29.00 C +ATOM 1553 CG1 ILE A 199 26.656 19.061 27.891 1.00 26.86 C +ATOM 1554 CG2 ILE A 199 27.606 21.079 26.561 1.00 28.03 C +ATOM 1555 CD1 ILE A 199 26.021 19.861 29.111 1.00 29.10 C +ATOM 1556 N LYS A 200 30.876 19.915 26.508 1.00 33.49 N +ATOM 1557 CA LYS A 200 32.057 20.580 25.999 1.00 37.48 C +ATOM 1558 C LYS A 200 32.506 19.948 24.684 1.00 37.91 C +ATOM 1559 O LYS A 200 32.868 20.683 23.724 1.00 39.27 O +ATOM 1560 CB LYS A 200 33.303 20.311 26.886 1.00 41.99 C +ATOM 1561 CG LYS A 200 34.113 21.505 27.353 1.00 46.64 C +ATOM 1562 CD LYS A 200 33.313 22.176 28.472 1.00 51.19 C +ATOM 1563 CE LYS A 200 33.962 23.218 29.357 1.00 52.17 C +ATOM 1564 NZ LYS A 200 32.947 24.291 29.752 1.00 52.63 N +ATOM 1565 N ASN A 201 32.614 18.643 24.753 1.00 35.61 N +ATOM 1566 CA ASN A 201 33.138 17.756 23.696 1.00 34.84 C +ATOM 1567 C ASN A 201 32.106 17.295 22.691 1.00 33.01 C +ATOM 1568 O ASN A 201 32.260 16.264 22.003 1.00 34.31 O +ATOM 1569 CB ASN A 201 33.916 16.597 24.358 1.00 35.80 C +ATOM 1570 CG ASN A 201 35.257 17.049 24.941 1.00 40.07 C +ATOM 1571 OD1 ASN A 201 35.648 16.599 26.047 1.00 41.68 O +ATOM 1572 ND2 ASN A 201 36.032 17.947 24.290 1.00 42.48 N +ATOM 1573 N LYS A 202 31.010 17.968 22.682 1.00 34.25 N +ATOM 1574 CA LYS A 202 29.899 17.747 21.740 1.00 36.87 C +ATOM 1575 C LYS A 202 29.230 16.427 21.749 1.00 36.56 C +ATOM 1576 O LYS A 202 28.578 16.007 20.776 1.00 38.53 O +ATOM 1577 CB LYS A 202 30.478 18.088 20.341 1.00 41.88 C +ATOM 1578 CG LYS A 202 31.034 19.548 20.328 1.00 45.39 C +ATOM 1579 CD LYS A 202 30.017 20.620 20.015 1.00 51.30 C +ATOM 1580 CE LYS A 202 28.743 20.720 20.851 1.00 55.52 C +ATOM 1581 NZ LYS A 202 27.643 21.431 20.034 1.00 59.01 N +ATOM 1582 N HIS A 203 29.198 15.739 22.903 1.00 34.71 N +ATOM 1583 CA HIS A 203 28.488 14.446 22.954 1.00 32.46 C +ATOM 1584 C HIS A 203 27.045 14.665 23.310 1.00 32.87 C +ATOM 1585 O HIS A 203 26.219 13.791 23.077 1.00 35.43 O +ATOM 1586 CB HIS A 203 29.159 13.479 23.956 1.00 30.54 C +ATOM 1587 CG HIS A 203 30.482 13.091 23.327 1.00 31.41 C +ATOM 1588 ND1 HIS A 203 31.691 13.478 23.781 1.00 32.60 N +ATOM 1589 CD2 HIS A 203 30.728 12.345 22.228 1.00 27.60 C +ATOM 1590 CE1 HIS A 203 32.669 13.003 23.005 1.00 29.94 C +ATOM 1591 NE2 HIS A 203 32.067 12.298 22.072 1.00 30.92 N +ATOM 1592 N MET A 204 26.792 15.826 23.884 1.00 33.05 N +ATOM 1593 CA MET A 204 25.506 16.242 24.401 1.00 32.72 C +ATOM 1594 C MET A 204 25.269 17.687 24.248 1.00 32.20 C +ATOM 1595 O MET A 204 26.313 18.397 24.242 1.00 34.16 O +ATOM 1596 CB MET A 204 25.692 15.936 25.928 1.00 37.49 C +ATOM 1597 CG MET A 204 24.383 15.853 26.612 1.00 40.20 C +ATOM 1598 SD MET A 204 24.634 14.331 27.663 1.00 42.49 S +ATOM 1599 CE MET A 204 22.920 13.813 27.680 1.00 40.99 C +ATOM 1600 N ASN A 205 24.033 18.147 24.199 1.00 32.12 N +ATOM 1601 CA ASN A 205 23.814 19.596 24.129 1.00 33.25 C +ATOM 1602 C ASN A 205 23.101 20.073 25.387 1.00 29.24 C +ATOM 1603 O ASN A 205 22.200 19.424 25.808 1.00 31.21 O +ATOM 1604 CB ASN A 205 23.126 20.035 22.840 1.00 43.50 C +ATOM 1605 CG ASN A 205 24.048 19.676 21.626 1.00 49.48 C +ATOM 1606 OD1 ASN A 205 25.218 20.138 21.505 1.00 53.34 O +ATOM 1607 ND2 ASN A 205 23.422 18.779 20.837 1.00 50.34 N +ATOM 1608 N ALA A 206 23.534 21.206 25.816 1.00 27.45 N +ATOM 1609 CA ALA A 206 23.115 21.963 26.938 1.00 25.46 C +ATOM 1610 C ALA A 206 21.642 22.279 26.906 1.00 28.06 C +ATOM 1611 O ALA A 206 21.030 22.550 27.999 1.00 31.20 O +ATOM 1612 CB ALA A 206 23.881 23.278 26.999 1.00 27.06 C +ATOM 1613 N ASP A 207 21.068 22.268 25.705 1.00 26.97 N +ATOM 1614 CA ASP A 207 19.626 22.646 25.680 1.00 28.54 C +ATOM 1615 C ASP A 207 18.697 21.447 25.788 1.00 26.90 C +ATOM 1616 O ASP A 207 17.447 21.673 25.884 1.00 29.09 O +ATOM 1617 CB ASP A 207 19.369 23.599 24.473 1.00 33.37 C +ATOM 1618 CG ASP A 207 19.203 22.834 23.139 1.00 37.58 C +ATOM 1619 OD1 ASP A 207 20.120 22.053 22.771 1.00 39.99 O +ATOM 1620 OD2 ASP A 207 18.089 23.029 22.455 1.00 41.97 O +ATOM 1621 N THR A 208 19.162 20.188 25.663 1.00 25.79 N +ATOM 1622 CA THR A 208 18.184 19.095 25.701 1.00 24.04 C +ATOM 1623 C THR A 208 17.213 19.164 26.881 1.00 25.38 C +ATOM 1624 O THR A 208 17.700 19.349 28.033 1.00 24.32 O +ATOM 1625 CB THR A 208 18.960 17.760 25.629 1.00 24.81 C +ATOM 1626 OG1 THR A 208 19.907 18.035 24.545 1.00 28.11 O +ATOM 1627 CG2 THR A 208 17.991 16.609 25.458 1.00 22.67 C +ATOM 1628 N ASP A 209 15.938 19.076 26.460 1.00 24.12 N +ATOM 1629 CA ASP A 209 14.887 19.039 27.458 1.00 23.13 C +ATOM 1630 C ASP A 209 14.147 17.679 27.353 1.00 22.24 C +ATOM 1631 O ASP A 209 14.492 16.767 26.569 1.00 22.67 O +ATOM 1632 CB ASP A 209 14.049 20.283 27.421 1.00 23.94 C +ATOM 1633 CG ASP A 209 13.138 20.443 26.221 1.00 27.38 C +ATOM 1634 OD1 ASP A 209 13.159 19.507 25.436 1.00 28.04 O +ATOM 1635 OD2 ASP A 209 12.397 21.438 26.018 1.00 31.42 O +ATOM 1636 N TYR A 210 13.043 17.572 28.052 1.00 22.22 N +ATOM 1637 CA TYR A 210 12.192 16.374 28.101 1.00 23.62 C +ATOM 1638 C TYR A 210 11.657 15.957 26.728 1.00 23.94 C +ATOM 1639 O TYR A 210 11.837 14.814 26.290 1.00 25.04 O +ATOM 1640 CB TYR A 210 11.009 16.413 29.107 1.00 20.91 C +ATOM 1641 CG TYR A 210 10.425 15.015 29.346 1.00 23.15 C +ATOM 1642 CD1 TYR A 210 9.439 14.483 28.492 1.00 20.22 C +ATOM 1643 CD2 TYR A 210 10.792 14.261 30.519 1.00 20.57 C +ATOM 1644 CE1 TYR A 210 8.850 13.297 28.773 1.00 22.17 C +ATOM 1645 CE2 TYR A 210 10.169 13.047 30.804 1.00 21.11 C +ATOM 1646 CZ TYR A 210 9.208 12.569 29.953 1.00 23.40 C +ATOM 1647 OH TYR A 210 8.644 11.365 30.145 1.00 24.29 O +ATOM 1648 N SER A 211 11.063 16.873 26.053 1.00 24.99 N +ATOM 1649 CA SER A 211 10.557 16.662 24.680 1.00 26.76 C +ATOM 1650 C SER A 211 11.642 16.354 23.699 1.00 26.16 C +ATOM 1651 O SER A 211 11.502 15.370 22.928 1.00 30.42 O +ATOM 1652 CB SER A 211 9.894 17.971 24.168 1.00 27.38 C +ATOM 1653 OG SER A 211 8.592 17.811 24.686 1.00 36.62 O +ATOM 1654 N ILE A 212 12.708 17.115 23.585 1.00 27.99 N +ATOM 1655 CA ILE A 212 13.786 16.864 22.619 1.00 25.10 C +ATOM 1656 C ILE A 212 14.321 15.462 22.827 1.00 26.40 C +ATOM 1657 O ILE A 212 14.517 14.703 21.848 1.00 24.51 O +ATOM 1658 CB ILE A 212 14.983 17.862 22.836 1.00 25.59 C +ATOM 1659 CG1 ILE A 212 14.684 19.376 22.618 1.00 29.88 C +ATOM 1660 CG2 ILE A 212 16.201 17.352 22.035 1.00 27.13 C +ATOM 1661 CD1 ILE A 212 13.403 19.407 21.786 1.00 33.25 C +ATOM 1662 N ALA A 213 14.582 15.107 24.182 1.00 26.23 N +ATOM 1663 CA ALA A 213 15.132 13.735 24.501 1.00 23.83 C +ATOM 1664 C ALA A 213 14.174 12.643 24.142 1.00 23.00 C +ATOM 1665 O ALA A 213 14.480 11.597 23.484 1.00 23.58 O +ATOM 1666 CB ALA A 213 15.503 13.617 25.972 1.00 22.66 C +ATOM 1667 N GLU A 214 12.929 12.899 24.527 1.00 22.85 N +ATOM 1668 CA GLU A 214 11.895 11.901 24.171 1.00 23.45 C +ATOM 1669 C GLU A 214 11.758 11.742 22.672 1.00 25.44 C +ATOM 1670 O GLU A 214 11.858 10.553 22.263 1.00 25.00 O +ATOM 1671 CB GLU A 214 10.545 12.232 24.790 1.00 26.21 C +ATOM 1672 CG GLU A 214 9.475 11.084 24.721 1.00 26.88 C +ATOM 1673 CD GLU A 214 8.185 11.453 25.324 1.00 25.98 C +ATOM 1674 OE1 GLU A 214 7.812 12.582 25.360 1.00 28.16 O +ATOM 1675 OE2 GLU A 214 7.653 10.534 25.945 1.00 27.05 O +ATOM 1676 N ALA A 215 11.588 12.760 21.865 1.00 25.50 N +ATOM 1677 CA ALA A 215 11.457 12.611 20.406 1.00 27.59 C +ATOM 1678 C ALA A 215 12.666 11.950 19.791 1.00 27.85 C +ATOM 1679 O ALA A 215 12.485 11.049 18.884 1.00 29.34 O +ATOM 1680 CB ALA A 215 11.261 13.983 19.725 1.00 28.31 C +ATOM 1681 N ALA A 216 13.830 12.337 20.316 1.00 28.03 N +ATOM 1682 CA ALA A 216 15.065 11.739 19.797 1.00 27.69 C +ATOM 1683 C ALA A 216 15.028 10.254 19.960 1.00 28.51 C +ATOM 1684 O ALA A 216 15.271 9.517 18.991 1.00 29.54 O +ATOM 1685 CB ALA A 216 16.364 12.290 20.430 1.00 26.91 C +ATOM 1686 N PHE A 217 14.760 9.723 21.195 1.00 23.57 N +ATOM 1687 CA PHE A 217 14.869 8.241 21.303 1.00 22.55 C +ATOM 1688 C PHE A 217 13.774 7.519 20.563 1.00 23.16 C +ATOM 1689 O PHE A 217 13.983 6.405 20.051 1.00 24.95 O +ATOM 1690 CB PHE A 217 14.903 7.941 22.814 1.00 21.93 C +ATOM 1691 CG PHE A 217 15.003 6.486 23.093 1.00 18.47 C +ATOM 1692 CD1 PHE A 217 13.877 5.687 23.137 1.00 21.23 C +ATOM 1693 CD2 PHE A 217 16.236 5.944 23.302 1.00 18.03 C +ATOM 1694 CE1 PHE A 217 13.970 4.322 23.416 1.00 22.62 C +ATOM 1695 CE2 PHE A 217 16.360 4.623 23.578 1.00 20.24 C +ATOM 1696 CZ PHE A 217 15.237 3.779 23.668 1.00 18.05 C +ATOM 1697 N ASN A 218 12.580 8.071 20.592 1.00 23.23 N +ATOM 1698 CA ASN A 218 11.372 7.503 20.023 1.00 26.21 C +ATOM 1699 C ASN A 218 11.478 7.458 18.452 1.00 29.15 C +ATOM 1700 O ASN A 218 10.909 6.530 17.866 1.00 27.83 O +ATOM 1701 CB ASN A 218 10.097 8.180 20.497 1.00 24.62 C +ATOM 1702 CG ASN A 218 9.739 7.703 21.927 1.00 25.68 C +ATOM 1703 OD1 ASN A 218 8.679 8.008 22.461 1.00 27.23 O +ATOM 1704 ND2 ASN A 218 10.683 7.028 22.601 1.00 24.93 N +ATOM 1705 N LYS A 219 12.268 8.374 17.884 1.00 30.33 N +ATOM 1706 CA LYS A 219 12.450 8.360 16.400 1.00 32.01 C +ATOM 1707 C LYS A 219 13.635 7.572 15.931 1.00 32.49 C +ATOM 1708 O LYS A 219 13.913 7.548 14.675 1.00 35.24 O +ATOM 1709 CB LYS A 219 12.640 9.795 15.851 1.00 35.74 C +ATOM 1710 CG LYS A 219 11.371 10.605 16.311 1.00 42.88 C +ATOM 1711 CD LYS A 219 11.638 12.099 16.269 1.00 50.01 C +ATOM 1712 CE LYS A 219 12.563 12.511 15.118 1.00 53.18 C +ATOM 1713 NZ LYS A 219 13.347 13.716 15.638 1.00 59.32 N +ATOM 1714 N GLY A 220 14.359 7.000 16.843 1.00 28.38 N +ATOM 1715 CA GLY A 220 15.536 6.196 16.576 1.00 27.11 C +ATOM 1716 C GLY A 220 16.789 6.956 16.410 1.00 26.76 C +ATOM 1717 O GLY A 220 17.845 6.338 15.945 1.00 29.32 O +ATOM 1718 N GLU A 221 16.797 8.226 16.773 1.00 28.48 N +ATOM 1719 CA GLU A 221 18.104 8.951 16.563 1.00 29.37 C +ATOM 1720 C GLU A 221 19.132 8.827 17.636 1.00 29.96 C +ATOM 1721 O GLU A 221 20.330 9.095 17.315 1.00 30.49 O +ATOM 1722 CB GLU A 221 17.750 10.405 16.332 1.00 34.70 C +ATOM 1723 CG GLU A 221 16.455 10.570 15.443 1.00 40.91 C +ATOM 1724 CD GLU A 221 16.248 12.062 15.240 1.00 46.03 C +ATOM 1725 OE1 GLU A 221 16.766 12.919 15.964 1.00 48.55 O +ATOM 1726 OE2 GLU A 221 15.529 12.264 14.211 1.00 53.44 O +ATOM 1727 N THR A 222 18.741 8.496 18.890 1.00 26.81 N +ATOM 1728 CA THR A 222 19.747 8.375 19.941 1.00 24.33 C +ATOM 1729 C THR A 222 19.671 6.948 20.419 1.00 23.39 C +ATOM 1730 O THR A 222 18.573 6.410 20.422 1.00 21.99 O +ATOM 1731 CB THR A 222 19.494 9.444 21.057 1.00 26.01 C +ATOM 1732 OG1 THR A 222 20.759 9.419 21.820 1.00 27.75 O +ATOM 1733 CG2 THR A 222 18.273 9.141 21.923 1.00 25.07 C +ATOM 1734 N ALA A 223 20.807 6.331 20.836 1.00 22.81 N +ATOM 1735 CA ALA A 223 20.704 4.946 21.276 1.00 21.91 C +ATOM 1736 C ALA A 223 20.210 4.799 22.740 1.00 22.26 C +ATOM 1737 O ALA A 223 19.747 3.668 22.992 1.00 21.98 O +ATOM 1738 CB ALA A 223 22.061 4.236 21.141 1.00 23.51 C +ATOM 1739 N MET A 224 20.262 5.798 23.597 1.00 22.50 N +ATOM 1740 CA MET A 224 19.839 5.626 25.051 1.00 19.70 C +ATOM 1741 C MET A 224 19.245 6.906 25.542 1.00 19.08 C +ATOM 1742 O MET A 224 19.479 8.000 25.057 1.00 17.71 O +ATOM 1743 CB MET A 224 21.160 5.405 25.845 1.00 19.25 C +ATOM 1744 CG MET A 224 21.816 4.118 25.666 1.00 21.55 C +ATOM 1745 SD MET A 224 23.356 4.003 26.581 1.00 27.08 S +ATOM 1746 CE MET A 224 24.477 5.155 25.828 1.00 25.34 C +ATOM 1747 N THR A 225 18.427 6.751 26.602 1.00 19.19 N +ATOM 1748 CA THR A 225 17.826 7.969 27.267 1.00 17.61 C +ATOM 1749 C THR A 225 17.701 7.557 28.747 1.00 19.51 C +ATOM 1750 O THR A 225 17.925 6.345 29.095 1.00 18.99 O +ATOM 1751 CB THR A 225 16.507 8.438 26.597 1.00 13.98 C +ATOM 1752 OG1 THR A 225 16.119 9.697 27.154 1.00 21.69 O +ATOM 1753 CG2 THR A 225 15.375 7.356 26.691 1.00 17.53 C +ATOM 1754 N ILE A 226 17.453 8.460 29.635 1.00 18.10 N +ATOM 1755 CA ILE A 226 17.275 8.098 31.065 1.00 15.93 C +ATOM 1756 C ILE A 226 15.896 8.592 31.358 1.00 15.68 C +ATOM 1757 O ILE A 226 15.651 9.779 31.030 1.00 17.30 O +ATOM 1758 CB ILE A 226 18.355 8.783 31.904 1.00 16.97 C +ATOM 1759 CG1 ILE A 226 19.762 8.038 31.620 1.00 16.31 C +ATOM 1760 CG2 ILE A 226 17.951 8.769 33.387 1.00 18.79 C +ATOM 1761 CD1 ILE A 226 20.871 9.057 32.213 1.00 18.28 C +ATOM 1762 N ASN A 227 14.976 7.811 31.841 1.00 15.21 N +ATOM 1763 CA ASN A 227 13.636 8.274 32.174 1.00 15.29 C +ATOM 1764 C ASN A 227 12.964 7.273 33.210 1.00 16.75 C +ATOM 1765 O ASN A 227 13.586 6.241 33.548 1.00 17.04 O +ATOM 1766 CB ASN A 227 12.813 8.442 30.891 1.00 19.15 C +ATOM 1767 CG ASN A 227 11.891 9.636 30.922 1.00 20.59 C +ATOM 1768 OD1 ASN A 227 11.240 10.061 31.945 1.00 25.03 O +ATOM 1769 ND2 ASN A 227 11.622 10.280 29.798 1.00 21.39 N +ATOM 1770 N GLY A 228 11.781 7.660 33.692 1.00 16.86 N +ATOM 1771 CA GLY A 228 11.007 6.887 34.639 1.00 16.25 C +ATOM 1772 C GLY A 228 9.944 6.086 33.921 1.00 19.00 C +ATOM 1773 O GLY A 228 9.735 6.143 32.663 1.00 19.13 O +ATOM 1774 N PRO A 229 9.217 5.241 34.698 1.00 19.24 N +ATOM 1775 CA PRO A 229 8.236 4.320 34.188 1.00 17.81 C +ATOM 1776 C PRO A 229 7.187 4.927 33.306 1.00 18.56 C +ATOM 1777 O PRO A 229 6.679 4.230 32.384 1.00 17.71 O +ATOM 1778 CB PRO A 229 7.664 3.576 35.420 1.00 17.05 C +ATOM 1779 CG PRO A 229 8.576 3.886 36.515 1.00 19.44 C +ATOM 1780 CD PRO A 229 9.450 5.068 36.164 1.00 18.37 C +ATOM 1781 N TRP A 230 6.712 6.176 33.592 1.00 17.59 N +ATOM 1782 CA TRP A 230 5.734 6.924 32.919 1.00 16.85 C +ATOM 1783 C TRP A 230 6.125 7.127 31.419 1.00 17.44 C +ATOM 1784 O TRP A 230 5.195 7.207 30.608 1.00 19.47 O +ATOM 1785 CB TRP A 230 5.448 8.289 33.641 1.00 16.91 C +ATOM 1786 CG TRP A 230 6.722 9.099 33.695 1.00 19.47 C +ATOM 1787 CD1 TRP A 230 7.315 9.800 32.695 1.00 19.47 C +ATOM 1788 CD2 TRP A 230 7.657 9.193 34.820 1.00 20.47 C +ATOM 1789 NE1 TRP A 230 8.517 10.366 33.132 1.00 19.66 N +ATOM 1790 CE2 TRP A 230 8.754 9.942 34.435 1.00 20.33 C +ATOM 1791 CE3 TRP A 230 7.606 8.669 36.114 1.00 21.16 C +ATOM 1792 CZ2 TRP A 230 9.767 10.285 35.265 1.00 19.60 C +ATOM 1793 CZ3 TRP A 230 8.710 8.936 36.918 1.00 18.79 C +ATOM 1794 CH2 TRP A 230 9.764 9.710 36.511 1.00 22.05 C +ATOM 1795 N ALA A 231 7.345 7.152 30.995 1.00 19.60 N +ATOM 1796 CA ALA A 231 7.736 7.302 29.569 1.00 18.83 C +ATOM 1797 C ALA A 231 7.559 6.024 28.762 1.00 18.79 C +ATOM 1798 O ALA A 231 7.526 6.031 27.481 1.00 19.11 O +ATOM 1799 CB ALA A 231 9.236 7.533 29.685 1.00 17.18 C +ATOM 1800 N TRP A 232 7.379 4.839 29.339 1.00 18.62 N +ATOM 1801 CA TRP A 232 7.403 3.562 28.628 1.00 21.07 C +ATOM 1802 C TRP A 232 6.290 3.520 27.578 1.00 23.97 C +ATOM 1803 O TRP A 232 6.453 2.846 26.547 1.00 21.87 O +ATOM 1804 CB TRP A 232 7.365 2.280 29.496 1.00 19.90 C +ATOM 1805 CG TRP A 232 8.497 2.191 30.506 1.00 18.81 C +ATOM 1806 CD1 TRP A 232 9.737 2.784 30.520 1.00 18.39 C +ATOM 1807 CD2 TRP A 232 8.439 1.419 31.740 1.00 17.55 C +ATOM 1808 NE1 TRP A 232 10.436 2.444 31.640 1.00 16.62 N +ATOM 1809 CE2 TRP A 232 9.631 1.582 32.382 1.00 15.06 C +ATOM 1810 CE3 TRP A 232 7.393 0.611 32.250 1.00 18.32 C +ATOM 1811 CZ2 TRP A 232 9.928 0.955 33.637 1.00 20.58 C +ATOM 1812 CZ3 TRP A 232 7.649 0.008 33.482 1.00 18.91 C +ATOM 1813 CH2 TRP A 232 8.864 0.129 34.122 1.00 17.77 C +ATOM 1814 N SER A 233 5.169 4.099 27.961 1.00 24.57 N +ATOM 1815 CA SER A 233 3.982 4.097 27.045 1.00 28.37 C +ATOM 1816 C SER A 233 4.225 4.642 25.657 1.00 27.00 C +ATOM 1817 O SER A 233 3.783 3.982 24.697 1.00 28.52 O +ATOM 1818 CB SER A 233 2.800 4.945 27.646 1.00 28.20 C +ATOM 1819 OG SER A 233 2.281 3.856 28.405 1.00 35.62 O +ATOM 1820 N ASN A 234 4.864 5.778 25.596 1.00 25.65 N +ATOM 1821 CA ASN A 234 5.124 6.389 24.262 1.00 27.45 C +ATOM 1822 C ASN A 234 6.170 5.578 23.435 1.00 25.88 C +ATOM 1823 O ASN A 234 6.134 5.672 22.197 1.00 26.65 O +ATOM 1824 CB ASN A 234 5.560 7.830 24.376 1.00 27.20 C +ATOM 1825 CG ASN A 234 4.515 8.800 24.825 1.00 32.73 C +ATOM 1826 OD1 ASN A 234 3.313 8.548 24.569 1.00 34.93 O +ATOM 1827 ND2 ASN A 234 4.849 9.872 25.578 1.00 34.92 N +ATOM 1828 N ILE A 235 7.114 5.014 24.183 1.00 25.01 N +ATOM 1829 CA ILE A 235 8.115 4.183 23.586 1.00 23.56 C +ATOM 1830 C ILE A 235 7.370 3.000 22.931 1.00 25.58 C +ATOM 1831 O ILE A 235 7.666 2.590 21.770 1.00 26.71 O +ATOM 1832 CB ILE A 235 9.203 3.650 24.561 1.00 19.34 C +ATOM 1833 CG1 ILE A 235 9.903 4.834 25.272 1.00 18.44 C +ATOM 1834 CG2 ILE A 235 10.227 2.842 23.723 1.00 22.65 C +ATOM 1835 CD1 ILE A 235 10.920 4.384 26.351 1.00 19.01 C +ATOM 1836 N ASP A 236 6.432 2.424 23.663 1.00 25.62 N +ATOM 1837 CA ASP A 236 5.804 1.190 23.133 1.00 28.44 C +ATOM 1838 C ASP A 236 5.118 1.466 21.765 1.00 32.41 C +ATOM 1839 O ASP A 236 5.125 0.567 20.923 1.00 31.56 O +ATOM 1840 CB ASP A 236 4.757 0.546 23.983 1.00 26.70 C +ATOM 1841 CG ASP A 236 5.359 -0.147 25.240 1.00 28.31 C +ATOM 1842 OD1 ASP A 236 6.526 -0.472 25.341 1.00 25.76 O +ATOM 1843 OD2 ASP A 236 4.469 -0.256 26.130 1.00 30.38 O +ATOM 1844 N THR A 237 4.511 2.638 21.851 1.00 33.40 N +ATOM 1845 CA THR A 237 3.729 3.212 20.797 1.00 34.18 C +ATOM 1846 C THR A 237 4.572 3.527 19.540 1.00 34.60 C +ATOM 1847 O THR A 237 3.966 3.522 18.437 1.00 34.43 O +ATOM 1848 CB THR A 237 2.950 4.540 21.105 1.00 33.57 C +ATOM 1849 OG1 THR A 237 1.917 4.214 22.004 1.00 35.33 O +ATOM 1850 CG2 THR A 237 2.218 4.888 19.792 1.00 39.52 C +ATOM 1851 N SER A 238 5.808 3.839 19.781 1.00 33.33 N +ATOM 1852 CA SER A 238 6.705 4.126 18.641 1.00 34.83 C +ATOM 1853 C SER A 238 7.301 2.795 18.137 1.00 35.05 C +ATOM 1854 O SER A 238 8.054 2.728 17.178 1.00 31.67 O +ATOM 1855 CB SER A 238 7.763 5.118 19.204 1.00 35.96 C +ATOM 1856 OG SER A 238 8.945 4.225 19.502 1.00 36.71 O +ATOM 1857 N LYS A 239 7.038 1.688 18.865 1.00 37.42 N +ATOM 1858 CA LYS A 239 7.578 0.364 18.581 1.00 42.05 C +ATOM 1859 C LYS A 239 9.099 0.345 18.606 1.00 41.41 C +ATOM 1860 O LYS A 239 9.633 -0.615 17.967 1.00 40.74 O +ATOM 1861 CB LYS A 239 7.140 -0.328 17.252 1.00 43.06 C +ATOM 1862 CG LYS A 239 7.870 -1.647 16.984 1.00 49.69 C +ATOM 1863 CD LYS A 239 9.199 -1.966 16.362 1.00 50.19 C +ATOM 1864 CE LYS A 239 10.514 -2.223 17.004 1.00 49.43 C +ATOM 1865 NZ LYS A 239 11.091 -3.522 17.406 1.00 46.73 N +ATOM 1866 N VAL A 240 9.862 1.286 19.207 1.00 40.43 N +ATOM 1867 CA VAL A 240 11.363 1.074 19.164 1.00 36.57 C +ATOM 1868 C VAL A 240 11.579 -0.273 19.838 1.00 35.68 C +ATOM 1869 O VAL A 240 10.662 -0.682 20.650 1.00 37.66 O +ATOM 1870 CB VAL A 240 12.054 2.246 19.895 1.00 34.25 C +ATOM 1871 CG1 VAL A 240 13.309 1.759 20.671 1.00 28.26 C +ATOM 1872 CG2 VAL A 240 12.285 3.439 18.995 1.00 31.90 C +ATOM 1873 N ASN A 241 12.656 -0.992 19.610 1.00 35.28 N +ATOM 1874 CA ASN A 241 13.007 -2.255 20.317 1.00 32.94 C +ATOM 1875 C ASN A 241 13.969 -1.847 21.492 1.00 29.39 C +ATOM 1876 O ASN A 241 15.157 -1.821 21.450 1.00 28.65 O +ATOM 1877 CB ASN A 241 13.602 -3.255 19.386 1.00 33.85 C +ATOM 1878 CG ASN A 241 13.964 -4.582 20.044 1.00 39.23 C +ATOM 1879 OD1 ASN A 241 13.334 -5.159 20.978 1.00 36.88 O +ATOM 1880 ND2 ASN A 241 15.073 -5.173 19.489 1.00 41.90 N +ATOM 1881 N TYR A 242 13.353 -1.585 22.649 1.00 29.99 N +ATOM 1882 CA TYR A 242 14.068 -1.075 23.831 1.00 25.45 C +ATOM 1883 C TYR A 242 14.222 -1.987 25.011 1.00 26.26 C +ATOM 1884 O TYR A 242 13.368 -2.874 25.265 1.00 27.76 O +ATOM 1885 CB TYR A 242 13.302 0.210 24.323 1.00 24.55 C +ATOM 1886 CG TYR A 242 12.015 0.045 25.060 1.00 25.49 C +ATOM 1887 CD1 TYR A 242 10.808 -0.155 24.328 1.00 25.96 C +ATOM 1888 CD2 TYR A 242 11.889 0.115 26.483 1.00 22.24 C +ATOM 1889 CE1 TYR A 242 9.560 -0.279 24.992 1.00 27.59 C +ATOM 1890 CE2 TYR A 242 10.700 -0.001 27.134 1.00 22.93 C +ATOM 1891 CZ TYR A 242 9.510 -0.178 26.404 1.00 24.82 C +ATOM 1892 OH TYR A 242 8.249 -0.306 26.967 1.00 25.64 O +ATOM 1893 N GLY A 243 15.306 -1.723 25.788 1.00 22.77 N +ATOM 1894 CA GLY A 243 15.435 -2.522 27.027 1.00 20.02 C +ATOM 1895 C GLY A 243 15.438 -1.406 28.118 1.00 20.94 C +ATOM 1896 O GLY A 243 15.609 -0.212 27.820 1.00 19.26 O +ATOM 1897 N VAL A 244 15.257 -1.872 29.344 1.00 21.00 N +ATOM 1898 CA VAL A 244 15.265 -0.945 30.529 1.00 21.23 C +ATOM 1899 C VAL A 244 16.321 -1.547 31.443 1.00 22.15 C +ATOM 1900 O VAL A 244 16.118 -2.749 31.763 1.00 23.13 O +ATOM 1901 CB VAL A 244 13.865 -0.754 31.172 1.00 17.16 C +ATOM 1902 CG1 VAL A 244 14.074 0.039 32.487 1.00 17.47 C +ATOM 1903 CG2 VAL A 244 12.818 -0.154 30.312 1.00 16.45 C +ATOM 1904 N THR A 245 17.372 -0.834 31.864 1.00 19.82 N +ATOM 1905 CA THR A 245 18.281 -1.551 32.783 1.00 21.22 C +ATOM 1906 C THR A 245 18.868 -0.660 33.876 1.00 20.99 C +ATOM 1907 O THR A 245 18.514 0.520 34.014 1.00 19.84 O +ATOM 1908 CB THR A 245 19.372 -2.181 31.812 1.00 24.12 C +ATOM 1909 OG1 THR A 245 20.338 -3.041 32.488 1.00 26.10 O +ATOM 1910 CG2 THR A 245 20.087 -1.059 30.997 1.00 25.89 C +ATOM 1911 N VAL A 246 19.840 -1.180 34.614 1.00 19.99 N +ATOM 1912 CA VAL A 246 20.504 -0.379 35.632 1.00 23.38 C +ATOM 1913 C VAL A 246 21.231 0.821 35.002 1.00 23.21 C +ATOM 1914 O VAL A 246 21.884 0.624 33.975 1.00 23.62 O +ATOM 1915 CB VAL A 246 21.613 -1.178 36.409 1.00 27.54 C +ATOM 1916 CG1 VAL A 246 22.003 -0.676 37.842 1.00 25.50 C +ATOM 1917 CG2 VAL A 246 21.055 -2.562 36.470 1.00 34.17 C +ATOM 1918 N LEU A 247 21.298 1.941 35.653 1.00 21.06 N +ATOM 1919 CA LEU A 247 22.122 3.062 35.218 1.00 20.17 C +ATOM 1920 C LEU A 247 23.606 2.700 35.257 1.00 21.20 C +ATOM 1921 O LEU A 247 24.156 1.851 36.033 1.00 22.52 O +ATOM 1922 CB LEU A 247 21.778 4.220 36.197 1.00 18.74 C +ATOM 1923 CG LEU A 247 20.331 4.741 36.069 1.00 18.60 C +ATOM 1924 CD1 LEU A 247 20.063 5.655 37.318 1.00 18.93 C +ATOM 1925 CD2 LEU A 247 20.173 5.533 34.790 1.00 18.94 C +ATOM 1926 N PRO A 248 24.418 3.348 34.393 1.00 21.31 N +ATOM 1927 CA PRO A 248 25.872 3.063 34.428 1.00 22.85 C +ATOM 1928 C PRO A 248 26.540 3.588 35.725 1.00 23.34 C +ATOM 1929 O PRO A 248 25.998 4.524 36.453 1.00 22.85 O +ATOM 1930 CB PRO A 248 26.407 3.729 33.155 1.00 20.22 C +ATOM 1931 CG PRO A 248 25.328 4.585 32.689 1.00 20.59 C +ATOM 1932 CD PRO A 248 24.051 4.378 33.459 1.00 21.09 C +ATOM 1933 N THR A 249 27.701 3.032 36.019 1.00 22.52 N +ATOM 1934 CA THR A 249 28.516 3.403 37.153 1.00 19.87 C +ATOM 1935 C THR A 249 29.391 4.560 36.746 1.00 21.30 C +ATOM 1936 O THR A 249 29.750 4.854 35.596 1.00 21.30 O +ATOM 1937 CB THR A 249 29.429 2.224 37.692 1.00 21.47 C +ATOM 1938 OG1 THR A 249 30.453 1.932 36.622 1.00 25.49 O +ATOM 1939 CG2 THR A 249 28.677 1.020 38.212 1.00 19.39 C +ATOM 1940 N PHE A 250 29.857 5.256 37.780 1.00 19.36 N +ATOM 1941 CA PHE A 250 30.726 6.367 37.541 1.00 21.37 C +ATOM 1942 C PHE A 250 31.854 6.106 38.569 1.00 23.36 C +ATOM 1943 O PHE A 250 31.484 6.076 39.767 1.00 22.78 O +ATOM 1944 CB PHE A 250 30.011 7.717 37.768 1.00 20.48 C +ATOM 1945 CG PHE A 250 30.888 8.925 37.652 1.00 18.81 C +ATOM 1946 CD1 PHE A 250 31.561 9.180 36.456 1.00 18.62 C +ATOM 1947 CD2 PHE A 250 31.072 9.815 38.701 1.00 18.64 C +ATOM 1948 CE1 PHE A 250 32.433 10.286 36.415 1.00 19.05 C +ATOM 1949 CE2 PHE A 250 31.892 10.929 38.665 1.00 18.50 C +ATOM 1950 CZ PHE A 250 32.602 11.166 37.464 1.00 17.78 C +ATOM 1951 N LYS A 251 33.080 6.005 38.174 1.00 23.69 N +ATOM 1952 CA LYS A 251 34.241 5.881 39.108 1.00 25.44 C +ATOM 1953 C LYS A 251 34.035 4.583 39.851 1.00 24.99 C +ATOM 1954 O LYS A 251 34.381 4.474 41.046 1.00 27.25 O +ATOM 1955 CB LYS A 251 34.442 7.078 40.078 1.00 29.26 C +ATOM 1956 CG LYS A 251 34.977 8.357 39.374 1.00 31.89 C +ATOM 1957 CD LYS A 251 35.517 9.482 40.150 1.00 34.06 C +ATOM 1958 CE LYS A 251 36.510 10.481 39.758 1.00 37.64 C +ATOM 1959 NZ LYS A 251 36.647 10.955 38.354 1.00 37.78 N +ATOM 1960 N GLY A 252 33.350 3.689 39.179 1.00 22.07 N +ATOM 1961 CA GLY A 252 33.122 2.355 39.770 1.00 22.28 C +ATOM 1962 C GLY A 252 31.967 2.314 40.749 1.00 25.31 C +ATOM 1963 O GLY A 252 31.670 1.166 41.309 1.00 27.62 O +ATOM 1964 N GLN A 253 31.288 3.444 41.032 1.00 21.35 N +ATOM 1965 CA GLN A 253 30.180 3.388 41.997 1.00 20.46 C +ATOM 1966 C GLN A 253 28.895 3.450 41.189 1.00 21.04 C +ATOM 1967 O GLN A 253 28.839 4.046 40.056 1.00 19.95 O +ATOM 1968 CB GLN A 253 30.185 4.632 42.914 1.00 21.38 C +ATOM 1969 CG GLN A 253 31.516 5.372 43.039 1.00 28.07 C +ATOM 1970 CD GLN A 253 31.934 5.006 44.427 1.00 33.68 C +ATOM 1971 OE1 GLN A 253 31.690 3.811 44.691 1.00 37.58 O +ATOM 1972 NE2 GLN A 253 32.301 5.934 45.302 1.00 40.06 N +ATOM 1973 N PRO A 254 27.820 2.894 41.741 1.00 20.25 N +ATOM 1974 CA PRO A 254 26.553 2.943 41.095 1.00 19.81 C +ATOM 1975 C PRO A 254 26.064 4.382 40.945 1.00 19.71 C +ATOM 1976 O PRO A 254 26.356 5.208 41.900 1.00 20.39 O +ATOM 1977 CB PRO A 254 25.567 2.132 42.003 1.00 19.11 C +ATOM 1978 CG PRO A 254 26.426 1.528 43.039 1.00 21.38 C +ATOM 1979 CD PRO A 254 27.847 2.138 43.026 1.00 19.37 C +ATOM 1980 N SER A 255 25.363 4.719 39.887 1.00 18.71 N +ATOM 1981 CA SER A 255 24.591 5.984 39.748 1.00 18.55 C +ATOM 1982 C SER A 255 23.502 5.835 40.862 1.00 20.09 C +ATOM 1983 O SER A 255 23.006 4.688 41.192 1.00 18.06 O +ATOM 1984 CB SER A 255 23.859 6.161 38.391 1.00 17.14 C +ATOM 1985 OG SER A 255 24.976 6.478 37.502 1.00 19.50 O +ATOM 1986 N LYS A 256 23.154 6.899 41.532 1.00 19.40 N +ATOM 1987 CA LYS A 256 22.191 6.790 42.697 1.00 20.71 C +ATOM 1988 C LYS A 256 21.040 7.709 42.505 1.00 18.36 C +ATOM 1989 O LYS A 256 21.163 8.904 42.911 1.00 17.16 O +ATOM 1990 CB LYS A 256 22.896 7.379 43.920 1.00 23.96 C +ATOM 1991 CG LYS A 256 23.676 6.616 44.926 1.00 32.07 C +ATOM 1992 CD LYS A 256 24.965 6.107 44.226 1.00 36.18 C +ATOM 1993 CE LYS A 256 25.924 5.277 45.080 1.00 36.75 C +ATOM 1994 NZ LYS A 256 27.328 5.509 44.700 1.00 31.97 N +ATOM 1995 N PRO A 257 19.961 7.231 41.903 1.00 19.72 N +ATOM 1996 CA PRO A 257 18.802 8.109 41.671 1.00 20.42 C +ATOM 1997 C PRO A 257 18.139 8.484 43.020 1.00 19.31 C +ATOM 1998 O PRO A 257 18.198 7.711 43.932 1.00 15.36 O +ATOM 1999 CB PRO A 257 17.854 7.276 40.802 1.00 20.91 C +ATOM 2000 CG PRO A 257 18.276 5.795 40.928 1.00 18.43 C +ATOM 2001 CD PRO A 257 19.712 5.880 41.401 1.00 18.52 C +ATOM 2002 N PHE A 258 17.527 9.629 43.097 1.00 17.43 N +ATOM 2003 CA PHE A 258 16.724 10.012 44.224 1.00 17.73 C +ATOM 2004 C PHE A 258 15.451 9.202 43.982 1.00 20.84 C +ATOM 2005 O PHE A 258 14.926 9.202 42.799 1.00 24.35 O +ATOM 2006 CB PHE A 258 16.450 11.532 44.284 1.00 17.12 C +ATOM 2007 CG PHE A 258 17.117 12.246 45.393 1.00 19.14 C +ATOM 2008 CD1 PHE A 258 17.260 11.589 46.659 1.00 22.37 C +ATOM 2009 CD2 PHE A 258 17.615 13.557 45.175 1.00 22.12 C +ATOM 2010 CE1 PHE A 258 17.794 12.241 47.761 1.00 24.66 C +ATOM 2011 CE2 PHE A 258 18.224 14.198 46.285 1.00 25.08 C +ATOM 2012 CZ PHE A 258 18.255 13.567 47.582 1.00 26.99 C +ATOM 2013 N VAL A 259 14.890 8.515 44.931 1.00 15.41 N +ATOM 2014 CA VAL A 259 13.641 7.775 44.694 1.00 15.38 C +ATOM 2015 C VAL A 259 12.464 8.530 45.220 1.00 17.28 C +ATOM 2016 O VAL A 259 12.382 9.099 46.371 1.00 18.07 O +ATOM 2017 CB VAL A 259 13.868 6.353 45.321 1.00 18.40 C +ATOM 2018 CG1 VAL A 259 12.631 5.501 45.282 1.00 16.65 C +ATOM 2019 CG2 VAL A 259 15.135 5.681 44.693 1.00 18.04 C +ATOM 2020 N GLY A 260 11.379 8.588 44.417 1.00 17.42 N +ATOM 2021 CA GLY A 260 10.154 9.295 44.722 1.00 15.41 C +ATOM 2022 C GLY A 260 9.065 8.249 44.890 1.00 16.34 C +ATOM 2023 O GLY A 260 8.972 7.222 44.230 1.00 16.77 O +ATOM 2024 N VAL A 261 8.198 8.527 45.849 1.00 16.08 N +ATOM 2025 CA VAL A 261 7.011 7.768 46.207 1.00 16.15 C +ATOM 2026 C VAL A 261 5.894 8.647 45.709 1.00 16.66 C +ATOM 2027 O VAL A 261 5.670 9.701 46.432 1.00 18.50 O +ATOM 2028 CB VAL A 261 6.853 7.383 47.753 1.00 17.05 C +ATOM 2029 CG1 VAL A 261 5.522 6.727 47.972 1.00 17.45 C +ATOM 2030 CG2 VAL A 261 7.967 6.538 48.302 1.00 18.27 C +ATOM 2031 N LEU A 262 5.222 8.357 44.563 1.00 16.02 N +ATOM 2032 CA LEU A 262 4.088 9.038 44.032 1.00 17.63 C +ATOM 2033 C LEU A 262 3.027 8.972 45.233 1.00 16.69 C +ATOM 2034 O LEU A 262 2.792 7.826 45.656 1.00 18.15 O +ATOM 2035 CB LEU A 262 3.482 8.532 42.743 1.00 16.65 C +ATOM 2036 CG LEU A 262 2.251 9.132 42.152 1.00 17.06 C +ATOM 2037 CD1 LEU A 262 2.438 10.613 41.715 1.00 16.98 C +ATOM 2038 CD2 LEU A 262 1.729 8.339 40.925 1.00 20.38 C +ATOM 2039 N SER A 263 2.513 10.139 45.544 1.00 18.04 N +ATOM 2040 CA SER A 263 1.602 10.254 46.689 1.00 20.14 C +ATOM 2041 C SER A 263 0.370 11.147 46.400 1.00 18.92 C +ATOM 2042 O SER A 263 0.437 12.063 45.646 1.00 17.51 O +ATOM 2043 CB SER A 263 2.376 10.786 47.904 1.00 20.36 C +ATOM 2044 OG SER A 263 3.477 9.968 48.225 1.00 24.42 O +ATOM 2045 N ALA A 264 -0.745 10.811 47.174 1.00 19.84 N +ATOM 2046 CA ALA A 264 -2.046 11.537 47.004 1.00 18.06 C +ATOM 2047 C ALA A 264 -2.398 12.176 48.360 1.00 19.68 C +ATOM 2048 O ALA A 264 -2.533 11.410 49.348 1.00 21.06 O +ATOM 2049 CB ALA A 264 -3.227 10.763 46.504 1.00 15.61 C +ATOM 2050 N GLY A 265 -2.476 13.487 48.336 1.00 20.86 N +ATOM 2051 CA GLY A 265 -2.779 14.207 49.625 1.00 21.38 C +ATOM 2052 C GLY A 265 -4.113 14.860 49.549 1.00 23.25 C +ATOM 2053 O GLY A 265 -4.620 15.117 48.466 1.00 23.67 O +ATOM 2054 N ILE A 266 -4.710 15.070 50.781 1.00 26.12 N +ATOM 2055 CA ILE A 266 -6.077 15.713 50.789 1.00 24.73 C +ATOM 2056 C ILE A 266 -5.964 17.126 51.317 1.00 26.51 C +ATOM 2057 O ILE A 266 -5.261 17.455 52.322 1.00 26.58 O +ATOM 2058 CB ILE A 266 -7.046 14.784 51.588 1.00 26.71 C +ATOM 2059 CG1 ILE A 266 -7.108 13.338 50.966 1.00 26.96 C +ATOM 2060 CG2 ILE A 266 -8.434 15.402 51.761 1.00 23.77 C +ATOM 2061 CD1 ILE A 266 -7.802 12.407 52.011 1.00 28.14 C +ATOM 2062 N ASN A 267 -6.517 18.009 50.513 1.00 27.81 N +ATOM 2063 CA ASN A 267 -6.501 19.448 50.776 1.00 30.65 C +ATOM 2064 C ASN A 267 -7.229 19.579 52.095 1.00 33.63 C +ATOM 2065 O ASN A 267 -8.367 19.092 52.238 1.00 33.06 O +ATOM 2066 CB ASN A 267 -7.103 20.177 49.595 1.00 28.39 C +ATOM 2067 CG ASN A 267 -6.958 21.653 49.552 1.00 29.79 C +ATOM 2068 OD1 ASN A 267 -6.844 22.222 50.696 1.00 30.71 O +ATOM 2069 ND2 ASN A 267 -6.981 22.288 48.391 1.00 24.61 N +ATOM 2070 N ALA A 268 -6.468 20.240 52.979 1.00 38.69 N +ATOM 2071 CA ALA A 268 -6.978 20.528 54.386 1.00 40.84 C +ATOM 2072 C ALA A 268 -8.323 21.325 54.275 1.00 41.69 C +ATOM 2073 O ALA A 268 -9.245 21.114 55.111 1.00 41.47 O +ATOM 2074 CB ALA A 268 -5.956 21.212 55.283 1.00 33.60 C +ATOM 2075 N ALA A 269 -8.386 22.153 53.224 1.00 42.17 N +ATOM 2076 CA ALA A 269 -9.457 23.017 52.782 1.00 43.82 C +ATOM 2077 C ALA A 269 -10.642 22.286 52.101 1.00 43.91 C +ATOM 2078 O ALA A 269 -11.540 23.089 51.782 1.00 45.62 O +ATOM 2079 CB ALA A 269 -9.026 24.146 51.777 1.00 42.37 C +ATOM 2080 N SER A 270 -10.674 20.984 51.889 1.00 43.22 N +ATOM 2081 CA SER A 270 -11.768 20.302 51.298 1.00 42.91 C +ATOM 2082 C SER A 270 -12.849 19.923 52.343 1.00 43.35 C +ATOM 2083 O SER A 270 -12.496 19.429 53.423 1.00 43.05 O +ATOM 2084 CB SER A 270 -11.465 18.915 50.632 1.00 40.62 C +ATOM 2085 N PRO A 271 -14.078 20.065 51.859 1.00 43.58 N +ATOM 2086 CA PRO A 271 -15.322 19.656 52.469 1.00 44.93 C +ATOM 2087 C PRO A 271 -15.608 18.135 52.272 1.00 46.11 C +ATOM 2088 O PRO A 271 -16.396 17.416 52.957 1.00 45.88 O +ATOM 2089 CB PRO A 271 -16.409 20.403 51.701 1.00 44.76 C +ATOM 2090 CG PRO A 271 -15.740 21.277 50.673 1.00 44.50 C +ATOM 2091 CD PRO A 271 -14.364 20.644 50.508 1.00 45.24 C +ATOM 2092 N ASN A 272 -14.931 17.669 51.192 1.00 45.16 N +ATOM 2093 CA ASN A 272 -15.043 16.289 50.724 1.00 42.93 C +ATOM 2094 C ASN A 272 -14.045 15.401 51.386 1.00 42.70 C +ATOM 2095 O ASN A 272 -13.704 14.487 50.584 1.00 45.22 O +ATOM 2096 CB ASN A 272 -14.848 16.392 49.181 1.00 42.30 C +ATOM 2097 CG ASN A 272 -15.725 17.476 48.559 1.00 44.10 C +ATOM 2098 OD1 ASN A 272 -16.959 17.144 48.563 1.00 47.06 O +ATOM 2099 ND2 ASN A 272 -15.391 18.648 48.007 1.00 39.66 N +ATOM 2100 N LYS A 273 -13.520 15.407 52.562 1.00 41.00 N +ATOM 2101 CA LYS A 273 -12.469 14.490 52.986 1.00 42.06 C +ATOM 2102 C LYS A 273 -12.782 13.002 52.998 1.00 43.32 C +ATOM 2103 O LYS A 273 -11.857 12.142 52.841 1.00 42.20 O +ATOM 2104 CB LYS A 273 -11.900 14.710 54.439 1.00 43.03 C +ATOM 2105 CG LYS A 273 -11.513 16.145 54.722 1.00 45.48 C +ATOM 2106 CD LYS A 273 -10.383 16.409 55.668 1.00 48.86 C +ATOM 2107 CE LYS A 273 -9.622 17.733 55.521 1.00 50.21 C +ATOM 2108 NZ LYS A 273 -10.427 18.974 55.546 1.00 49.62 N +ATOM 2109 N GLU A 274 -14.037 12.756 53.387 1.00 43.25 N +ATOM 2110 CA GLU A 274 -14.614 11.429 53.561 1.00 42.62 C +ATOM 2111 C GLU A 274 -14.795 10.793 52.185 1.00 40.74 C +ATOM 2112 O GLU A 274 -14.399 9.598 52.123 1.00 41.76 O +ATOM 2113 CB GLU A 274 -15.877 11.346 54.394 1.00 48.11 C +ATOM 2114 CG GLU A 274 -16.042 10.283 55.493 1.00 54.86 C +ATOM 2115 CD GLU A 274 -14.965 9.645 56.302 1.00 58.92 C +ATOM 2116 OE1 GLU A 274 -14.268 10.182 57.198 1.00 60.51 O +ATOM 2117 OE2 GLU A 274 -14.739 8.388 56.039 1.00 60.94 O +ATOM 2118 N LEU A 275 -15.257 11.520 51.219 1.00 39.62 N +ATOM 2119 CA LEU A 275 -15.412 11.112 49.825 1.00 39.50 C +ATOM 2120 C LEU A 275 -14.028 10.689 49.243 1.00 39.07 C +ATOM 2121 O LEU A 275 -13.788 9.699 48.572 1.00 38.33 O +ATOM 2122 CB LEU A 275 -15.907 12.298 48.955 1.00 38.16 C +ATOM 2123 CG LEU A 275 -17.327 12.817 49.256 1.00 39.52 C +ATOM 2124 CD1 LEU A 275 -17.909 13.672 48.135 1.00 38.49 C +ATOM 2125 CD2 LEU A 275 -18.154 11.563 49.498 1.00 37.75 C +ATOM 2126 N ALA A 276 -13.120 11.633 49.513 1.00 38.83 N +ATOM 2127 CA ALA A 276 -11.702 11.588 49.132 1.00 36.98 C +ATOM 2128 C ALA A 276 -11.144 10.306 49.704 1.00 36.67 C +ATOM 2129 O ALA A 276 -10.607 9.457 48.947 1.00 33.27 O +ATOM 2130 CB ALA A 276 -11.019 12.876 49.554 1.00 38.64 C +ATOM 2131 N LYS A 277 -11.309 10.147 51.027 1.00 35.90 N +ATOM 2132 CA LYS A 277 -10.777 8.868 51.586 1.00 37.91 C +ATOM 2133 C LYS A 277 -11.454 7.676 50.949 1.00 38.29 C +ATOM 2134 O LYS A 277 -10.809 6.623 50.629 1.00 37.92 O +ATOM 2135 CB LYS A 277 -10.741 8.899 53.126 1.00 38.85 C +ATOM 2136 CG LYS A 277 -11.789 8.234 53.903 1.00 45.72 C +ATOM 2137 CD LYS A 277 -11.668 7.757 55.368 1.00 48.11 C +ATOM 2138 CE LYS A 277 -10.603 6.716 55.618 1.00 51.36 C +ATOM 2139 NZ LYS A 277 -10.590 5.849 56.824 1.00 52.97 N +ATOM 2140 N GLU A 278 -12.758 7.680 50.686 1.00 40.78 N +ATOM 2141 CA GLU A 278 -13.426 6.473 50.118 1.00 42.39 C +ATOM 2142 C GLU A 278 -12.737 6.072 48.794 1.00 40.26 C +ATOM 2143 O GLU A 278 -12.314 4.902 48.625 1.00 40.14 O +ATOM 2144 CB GLU A 278 -14.910 6.551 49.925 1.00 49.14 C +ATOM 2145 CG GLU A 278 -15.988 6.804 50.903 1.00 55.93 C +ATOM 2146 CD GLU A 278 -16.030 6.404 52.323 1.00 62.04 C +ATOM 2147 OE1 GLU A 278 -15.439 5.323 52.676 1.00 63.86 O +ATOM 2148 OE2 GLU A 278 -16.639 7.166 53.133 1.00 64.36 O +ATOM 2149 N PHE A 279 -12.649 7.017 47.919 1.00 38.70 N +ATOM 2150 CA PHE A 279 -11.991 7.033 46.593 1.00 37.81 C +ATOM 2151 C PHE A 279 -10.583 6.454 46.585 1.00 36.25 C +ATOM 2152 O PHE A 279 -10.178 5.561 45.830 1.00 37.28 O +ATOM 2153 CB PHE A 279 -11.948 8.508 46.041 1.00 37.03 C +ATOM 2154 CG PHE A 279 -11.338 8.534 44.654 1.00 38.73 C +ATOM 2155 CD1 PHE A 279 -9.957 8.655 44.503 1.00 38.71 C +ATOM 2156 CD2 PHE A 279 -12.142 8.363 43.535 1.00 41.56 C +ATOM 2157 CE1 PHE A 279 -9.404 8.683 43.240 1.00 39.71 C +ATOM 2158 CE2 PHE A 279 -11.602 8.360 42.230 1.00 43.00 C +ATOM 2159 CZ PHE A 279 -10.201 8.513 42.107 1.00 41.76 C +ATOM 2160 N LEU A 280 -9.746 7.010 47.461 1.00 34.49 N +ATOM 2161 CA LEU A 280 -8.387 6.578 47.511 1.00 33.06 C +ATOM 2162 C LEU A 280 -8.330 5.157 48.001 1.00 36.38 C +ATOM 2163 O LEU A 280 -7.788 4.329 47.233 1.00 37.77 O +ATOM 2164 CB LEU A 280 -7.572 7.588 48.339 1.00 30.09 C +ATOM 2165 CG LEU A 280 -7.410 8.935 47.632 1.00 29.88 C +ATOM 2166 CD1 LEU A 280 -6.724 9.939 48.558 1.00 27.36 C +ATOM 2167 CD2 LEU A 280 -6.569 8.781 46.324 1.00 29.42 C +ATOM 2168 N GLU A 281 -8.780 4.935 49.242 1.00 37.69 N +ATOM 2169 CA GLU A 281 -8.660 3.587 49.864 1.00 36.83 C +ATOM 2170 C GLU A 281 -9.485 2.456 49.285 1.00 36.15 C +ATOM 2171 O GLU A 281 -9.044 1.295 49.327 1.00 35.94 O +ATOM 2172 CB GLU A 281 -9.027 3.693 51.337 1.00 39.75 C +ATOM 2173 CG GLU A 281 -8.690 5.011 52.086 1.00 40.65 C +ATOM 2174 CD GLU A 281 -8.877 4.652 53.550 1.00 44.73 C +ATOM 2175 OE1 GLU A 281 -9.538 3.637 53.834 1.00 47.00 O +ATOM 2176 OE2 GLU A 281 -8.357 5.377 54.389 1.00 46.11 O +ATOM 2177 N ASN A 282 -10.677 2.777 48.764 1.00 36.66 N +ATOM 2178 CA ASN A 282 -11.578 1.802 48.175 1.00 37.18 C +ATOM 2179 C ASN A 282 -11.711 1.751 46.640 1.00 35.96 C +ATOM 2180 O ASN A 282 -12.282 0.683 46.271 1.00 34.56 O +ATOM 2181 CB ASN A 282 -13.022 1.930 48.739 1.00 38.18 C +ATOM 2182 CG ASN A 282 -13.017 1.779 50.257 1.00 38.66 C +ATOM 2183 OD1 ASN A 282 -12.149 1.147 50.924 1.00 40.16 O +ATOM 2184 ND2 ASN A 282 -14.022 2.539 50.740 1.00 40.19 N +ATOM 2185 N TYR A 283 -11.283 2.730 45.876 1.00 35.92 N +ATOM 2186 CA TYR A 283 -11.367 2.738 44.404 1.00 35.40 C +ATOM 2187 C TYR A 283 -9.988 2.624 43.743 1.00 34.40 C +ATOM 2188 O TYR A 283 -9.666 1.634 43.014 1.00 33.01 O +ATOM 2189 CB TYR A 283 -12.176 3.951 43.817 1.00 40.10 C +ATOM 2190 CG TYR A 283 -13.662 3.660 44.006 1.00 44.33 C +ATOM 2191 CD1 TYR A 283 -14.239 3.840 45.281 1.00 46.92 C +ATOM 2192 CD2 TYR A 283 -14.428 3.062 43.009 1.00 46.04 C +ATOM 2193 CE1 TYR A 283 -15.582 3.495 45.510 1.00 49.80 C +ATOM 2194 CE2 TYR A 283 -15.772 2.706 43.214 1.00 47.35 C +ATOM 2195 CZ TYR A 283 -16.335 2.941 44.458 1.00 48.23 C +ATOM 2196 OH TYR A 283 -17.624 2.610 44.675 1.00 49.84 O +ATOM 2197 N LEU A 284 -9.165 3.656 44.047 1.00 32.87 N +ATOM 2198 CA LEU A 284 -7.787 3.707 43.461 1.00 29.50 C +ATOM 2199 C LEU A 284 -6.847 2.731 44.094 1.00 26.56 C +ATOM 2200 O LEU A 284 -6.220 1.955 43.393 1.00 28.11 O +ATOM 2201 CB LEU A 284 -7.256 5.122 43.620 1.00 26.55 C +ATOM 2202 CG LEU A 284 -5.918 5.225 42.843 1.00 26.19 C +ATOM 2203 CD1 LEU A 284 -6.078 5.279 41.343 1.00 27.65 C +ATOM 2204 CD2 LEU A 284 -5.355 6.544 43.320 1.00 24.64 C +ATOM 2205 N LEU A 285 -6.735 2.718 45.364 1.00 26.19 N +ATOM 2206 CA LEU A 285 -5.788 1.822 46.006 1.00 28.57 C +ATOM 2207 C LEU A 285 -6.254 0.361 46.076 1.00 30.35 C +ATOM 2208 O LEU A 285 -6.161 -0.462 47.034 1.00 31.83 O +ATOM 2209 CB LEU A 285 -5.302 2.512 47.291 1.00 29.05 C +ATOM 2210 CG LEU A 285 -4.241 3.615 47.262 1.00 29.33 C +ATOM 2211 CD1 LEU A 285 -3.926 4.306 48.595 1.00 23.75 C +ATOM 2212 CD2 LEU A 285 -2.987 2.897 46.646 1.00 30.26 C +ATOM 2213 N THR A 286 -6.686 -0.172 44.956 1.00 31.16 N +ATOM 2214 CA THR A 286 -7.062 -1.573 44.761 1.00 33.00 C +ATOM 2215 C THR A 286 -6.247 -2.173 43.628 1.00 32.28 C +ATOM 2216 O THR A 286 -5.546 -1.422 42.915 1.00 35.56 O +ATOM 2217 CB THR A 286 -8.610 -1.626 44.457 1.00 35.25 C +ATOM 2218 OG1 THR A 286 -8.940 -0.770 43.247 1.00 36.89 O +ATOM 2219 CG2 THR A 286 -9.424 -1.310 45.717 1.00 34.72 C +ATOM 2220 N ASP A 287 -6.335 -3.394 43.257 1.00 31.15 N +ATOM 2221 CA ASP A 287 -5.615 -3.992 42.090 1.00 29.63 C +ATOM 2222 C ASP A 287 -6.251 -3.449 40.830 1.00 30.14 C +ATOM 2223 O ASP A 287 -5.604 -3.231 39.826 1.00 32.00 O +ATOM 2224 CB ASP A 287 -5.783 -5.474 42.093 1.00 28.32 C +ATOM 2225 CG ASP A 287 -4.857 -6.257 42.894 1.00 29.50 C +ATOM 2226 OD1 ASP A 287 -3.964 -5.869 43.651 1.00 34.03 O +ATOM 2227 OD2 ASP A 287 -4.943 -7.510 42.795 1.00 37.41 O +ATOM 2228 N GLU A 288 -7.527 -3.207 40.859 1.00 29.72 N +ATOM 2229 CA GLU A 288 -8.272 -2.773 39.704 1.00 29.98 C +ATOM 2230 C GLU A 288 -8.070 -1.349 39.360 1.00 28.84 C +ATOM 2231 O GLU A 288 -7.990 -0.979 38.214 1.00 28.48 O +ATOM 2232 CB GLU A 288 -9.763 -3.091 40.042 1.00 37.35 C +ATOM 2233 CG GLU A 288 -9.850 -4.526 40.748 1.00 44.73 C +ATOM 2234 CD GLU A 288 -9.924 -4.639 42.230 1.00 46.60 C +ATOM 2235 OE1 GLU A 288 -10.822 -4.088 42.914 1.00 49.73 O +ATOM 2236 OE2 GLU A 288 -9.005 -5.284 42.811 1.00 49.22 O +ATOM 2237 N GLY A 289 -8.018 -0.494 40.387 1.00 29.56 N +ATOM 2238 CA GLY A 289 -7.837 0.952 40.193 1.00 25.68 C +ATOM 2239 C GLY A 289 -6.412 1.242 39.721 1.00 23.46 C +ATOM 2240 O GLY A 289 -6.266 2.082 38.842 1.00 21.86 O +ATOM 2241 N LEU A 290 -5.467 0.581 40.333 1.00 24.53 N +ATOM 2242 CA LEU A 290 -4.048 0.766 39.984 1.00 25.64 C +ATOM 2243 C LEU A 290 -3.820 0.327 38.525 1.00 27.65 C +ATOM 2244 O LEU A 290 -3.054 1.002 37.827 1.00 25.48 O +ATOM 2245 CB LEU A 290 -3.097 0.061 40.939 1.00 25.31 C +ATOM 2246 CG LEU A 290 -3.065 0.710 42.320 1.00 21.12 C +ATOM 2247 CD1 LEU A 290 -2.060 0.014 43.162 1.00 25.13 C +ATOM 2248 CD2 LEU A 290 -2.700 2.175 42.059 1.00 23.36 C +ATOM 2249 N GLU A 291 -4.522 -0.760 38.197 1.00 28.25 N +ATOM 2250 CA GLU A 291 -4.331 -1.223 36.809 1.00 30.34 C +ATOM 2251 C GLU A 291 -4.958 -0.340 35.773 1.00 26.80 C +ATOM 2252 O GLU A 291 -4.244 -0.277 34.741 1.00 27.44 O +ATOM 2253 CB GLU A 291 -4.723 -2.660 36.673 1.00 37.38 C +ATOM 2254 CG GLU A 291 -6.119 -3.025 36.307 1.00 48.46 C +ATOM 2255 CD GLU A 291 -6.107 -4.144 35.238 1.00 51.59 C +ATOM 2256 OE1 GLU A 291 -5.251 -4.041 34.367 1.00 52.16 O +ATOM 2257 OE2 GLU A 291 -7.013 -4.937 35.596 1.00 55.82 O +ATOM 2258 N ALA A 292 -6.011 0.381 35.919 1.00 26.00 N +ATOM 2259 CA ALA A 292 -6.599 1.309 34.980 1.00 24.71 C +ATOM 2260 C ALA A 292 -5.612 2.429 34.710 1.00 24.42 C +ATOM 2261 O ALA A 292 -5.495 3.014 33.671 1.00 25.84 O +ATOM 2262 CB ALA A 292 -7.849 2.025 35.525 1.00 22.58 C +ATOM 2263 N VAL A 293 -4.947 2.863 35.804 1.00 24.74 N +ATOM 2264 CA VAL A 293 -3.960 3.949 35.776 1.00 24.38 C +ATOM 2265 C VAL A 293 -2.691 3.445 35.028 1.00 24.89 C +ATOM 2266 O VAL A 293 -2.315 4.198 34.145 1.00 24.06 O +ATOM 2267 CB VAL A 293 -3.603 4.576 37.173 1.00 25.65 C +ATOM 2268 CG1 VAL A 293 -2.513 5.659 37.025 1.00 23.87 C +ATOM 2269 CG2 VAL A 293 -4.805 5.145 37.936 1.00 23.92 C +ATOM 2270 N ASN A 294 -2.102 2.329 35.426 1.00 25.24 N +ATOM 2271 CA ASN A 294 -0.915 1.724 34.907 1.00 26.72 C +ATOM 2272 C ASN A 294 -1.022 1.378 33.429 1.00 27.44 C +ATOM 2273 O ASN A 294 -0.039 1.442 32.707 1.00 30.55 O +ATOM 2274 CB ASN A 294 -0.467 0.549 35.769 1.00 28.51 C +ATOM 2275 CG ASN A 294 0.957 0.042 35.487 1.00 29.07 C +ATOM 2276 OD1 ASN A 294 1.941 0.567 36.010 1.00 27.38 O +ATOM 2277 ND2 ASN A 294 1.076 -1.064 34.709 1.00 26.93 N +ATOM 2278 N LYS A 295 -2.147 1.095 32.877 1.00 31.09 N +ATOM 2279 CA LYS A 295 -2.392 0.796 31.438 1.00 32.69 C +ATOM 2280 C LYS A 295 -2.311 2.118 30.687 1.00 32.30 C +ATOM 2281 O LYS A 295 -1.805 2.078 29.521 1.00 35.27 O +ATOM 2282 CB LYS A 295 -3.620 -0.007 31.173 1.00 38.08 C +ATOM 2283 CG LYS A 295 -5.010 0.545 31.222 1.00 45.95 C +ATOM 2284 CD LYS A 295 -5.207 1.810 30.430 1.00 53.62 C +ATOM 2285 CE LYS A 295 -5.866 1.701 29.042 1.00 58.68 C +ATOM 2286 NZ LYS A 295 -5.791 3.031 28.290 1.00 60.11 N +ATOM 2287 N ASP A 296 -2.655 3.230 31.299 1.00 27.71 N +ATOM 2288 CA ASP A 296 -2.508 4.559 30.693 1.00 26.59 C +ATOM 2289 C ASP A 296 -1.019 4.914 30.677 1.00 26.02 C +ATOM 2290 O ASP A 296 -0.379 4.858 29.537 1.00 26.93 O +ATOM 2291 CB ASP A 296 -3.521 5.513 31.323 1.00 25.58 C +ATOM 2292 CG ASP A 296 -3.400 6.903 30.810 1.00 25.34 C +ATOM 2293 OD1 ASP A 296 -2.797 7.103 29.709 1.00 28.67 O +ATOM 2294 OD2 ASP A 296 -3.876 7.876 31.403 1.00 28.14 O +ATOM 2295 N LYS A 297 -0.406 5.212 31.797 1.00 22.68 N +ATOM 2296 CA LYS A 297 1.080 5.467 31.890 1.00 21.42 C +ATOM 2297 C LYS A 297 1.601 4.594 32.970 1.00 19.90 C +ATOM 2298 O LYS A 297 1.072 4.664 34.082 1.00 22.20 O +ATOM 2299 CB LYS A 297 1.387 6.934 32.106 1.00 20.77 C +ATOM 2300 CG LYS A 297 1.156 7.719 30.830 1.00 27.53 C +ATOM 2301 CD LYS A 297 0.924 9.146 31.231 1.00 37.26 C +ATOM 2302 CE LYS A 297 1.243 10.145 30.095 1.00 40.57 C +ATOM 2303 NZ LYS A 297 0.298 11.370 30.255 1.00 40.85 N +ATOM 2304 N PRO A 298 2.541 3.703 32.818 1.00 20.53 N +ATOM 2305 CA PRO A 298 3.008 2.820 33.878 1.00 19.54 C +ATOM 2306 C PRO A 298 3.414 3.560 35.118 1.00 19.85 C +ATOM 2307 O PRO A 298 4.078 4.613 35.073 1.00 17.94 O +ATOM 2308 CB PRO A 298 4.232 2.071 33.279 1.00 20.51 C +ATOM 2309 CG PRO A 298 3.950 2.193 31.754 1.00 21.20 C +ATOM 2310 CD PRO A 298 3.236 3.493 31.541 1.00 19.27 C +ATOM 2311 N LEU A 299 3.063 2.999 36.294 1.00 21.08 N +ATOM 2312 CA LEU A 299 3.416 3.623 37.573 1.00 20.11 C +ATOM 2313 C LEU A 299 4.800 3.335 38.103 1.00 18.73 C +ATOM 2314 O LEU A 299 5.328 4.166 38.931 1.00 21.38 O +ATOM 2315 CB LEU A 299 2.293 3.221 38.595 1.00 21.52 C +ATOM 2316 CG LEU A 299 0.905 3.759 38.505 1.00 23.94 C +ATOM 2317 CD1 LEU A 299 -0.003 2.900 39.450 1.00 23.54 C +ATOM 2318 CD2 LEU A 299 0.775 5.218 38.927 1.00 23.25 C +ATOM 2319 N GLY A 300 5.415 2.227 37.820 1.00 18.95 N +ATOM 2320 CA GLY A 300 6.682 1.825 38.400 1.00 18.40 C +ATOM 2321 C GLY A 300 6.217 0.644 39.370 1.00 21.72 C +ATOM 2322 O GLY A 300 5.184 -0.025 39.094 1.00 21.48 O +ATOM 2323 N ALA A 301 6.969 0.573 40.435 1.00 20.58 N +ATOM 2324 CA ALA A 301 6.747 -0.450 41.501 1.00 22.75 C +ATOM 2325 C ALA A 301 5.612 0.062 42.332 1.00 24.25 C +ATOM 2326 O ALA A 301 5.787 1.241 42.731 1.00 27.75 O +ATOM 2327 CB ALA A 301 8.096 -0.623 42.262 1.00 19.62 C +ATOM 2328 N VAL A 302 4.447 -0.486 42.576 1.00 22.94 N +ATOM 2329 CA VAL A 302 3.308 0.029 43.321 1.00 22.51 C +ATOM 2330 C VAL A 302 3.453 -0.272 44.814 1.00 24.21 C +ATOM 2331 O VAL A 302 4.165 -1.226 45.222 1.00 25.58 O +ATOM 2332 CB VAL A 302 1.965 -0.486 42.789 1.00 22.57 C +ATOM 2333 CG1 VAL A 302 1.630 0.027 41.392 1.00 21.36 C +ATOM 2334 CG2 VAL A 302 1.834 -2.009 42.858 1.00 22.06 C +ATOM 2335 N ALA A 303 2.851 0.594 45.621 1.00 24.53 N +ATOM 2336 CA ALA A 303 2.990 0.304 47.105 1.00 25.60 C +ATOM 2337 C ALA A 303 2.036 -0.790 47.559 1.00 25.64 C +ATOM 2338 O ALA A 303 2.251 -1.349 48.674 1.00 28.64 O +ATOM 2339 CB ALA A 303 2.774 1.599 47.836 1.00 23.88 C +ATOM 2340 N LEU A 304 1.004 -1.086 46.781 1.00 27.46 N +ATOM 2341 CA LEU A 304 -0.010 -2.147 47.065 1.00 27.72 C +ATOM 2342 C LEU A 304 0.647 -3.500 46.766 1.00 27.24 C +ATOM 2343 O LEU A 304 1.040 -3.874 45.640 1.00 23.14 O +ATOM 2344 CB LEU A 304 -1.264 -1.817 46.297 1.00 29.54 C +ATOM 2345 CG LEU A 304 -2.545 -2.572 46.617 1.00 30.50 C +ATOM 2346 CD1 LEU A 304 -2.974 -2.027 48.009 1.00 29.34 C +ATOM 2347 CD2 LEU A 304 -3.611 -2.399 45.497 1.00 27.41 C +ATOM 2348 N LYS A 305 0.812 -4.212 47.913 1.00 26.72 N +ATOM 2349 CA LYS A 305 1.515 -5.508 47.763 1.00 28.47 C +ATOM 2350 C LYS A 305 0.967 -6.501 46.763 1.00 26.16 C +ATOM 2351 O LYS A 305 1.744 -7.252 46.111 1.00 26.59 O +ATOM 2352 CB LYS A 305 1.663 -6.173 49.180 1.00 28.60 C +ATOM 2353 CG LYS A 305 2.661 -5.297 49.928 1.00 30.41 C +ATOM 2354 CD LYS A 305 3.182 -5.810 51.200 1.00 33.73 C +ATOM 2355 CE LYS A 305 2.175 -5.714 52.341 1.00 37.16 C +ATOM 2356 NZ LYS A 305 2.999 -5.859 53.618 1.00 41.24 N +ATOM 2357 N SER A 306 -0.312 -6.605 46.670 1.00 28.46 N +ATOM 2358 CA SER A 306 -1.097 -7.541 45.872 1.00 29.48 C +ATOM 2359 C SER A 306 -0.832 -7.318 44.395 1.00 31.28 C +ATOM 2360 O SER A 306 -0.484 -8.285 43.702 1.00 33.56 O +ATOM 2361 CB SER A 306 -2.552 -7.435 46.223 1.00 28.01 C +ATOM 2362 OG SER A 306 -3.118 -6.173 45.893 1.00 32.04 O +ATOM 2363 N TYR A 307 -1.015 -6.083 43.949 1.00 31.97 N +ATOM 2364 CA TYR A 307 -0.698 -5.624 42.578 1.00 30.91 C +ATOM 2365 C TYR A 307 0.791 -5.683 42.253 1.00 29.77 C +ATOM 2366 O TYR A 307 1.277 -6.132 41.143 1.00 28.61 O +ATOM 2367 CB TYR A 307 -1.365 -4.238 42.325 1.00 32.07 C +ATOM 2368 CG TYR A 307 -1.352 -3.935 40.844 1.00 32.85 C +ATOM 2369 CD1 TYR A 307 -1.994 -4.847 39.981 1.00 36.61 C +ATOM 2370 CD2 TYR A 307 -0.686 -2.860 40.277 1.00 35.39 C +ATOM 2371 CE1 TYR A 307 -2.067 -4.621 38.568 1.00 35.89 C +ATOM 2372 CE2 TYR A 307 -0.669 -2.645 38.872 1.00 35.31 C +ATOM 2373 CZ TYR A 307 -1.361 -3.507 38.040 1.00 37.14 C +ATOM 2374 OH TYR A 307 -1.375 -3.355 36.667 1.00 37.46 O +ATOM 2375 N GLU A 308 1.649 -5.278 43.239 1.00 29.32 N +ATOM 2376 CA GLU A 308 3.065 -5.247 43.026 1.00 28.64 C +ATOM 2377 C GLU A 308 3.610 -6.617 42.657 1.00 33.09 C +ATOM 2378 O GLU A 308 4.621 -6.864 41.933 1.00 32.77 O +ATOM 2379 CB GLU A 308 3.891 -4.787 44.221 1.00 26.96 C +ATOM 2380 CG GLU A 308 5.383 -4.841 43.820 1.00 24.83 C +ATOM 2381 CD GLU A 308 5.774 -4.031 42.630 1.00 25.19 C +ATOM 2382 OE1 GLU A 308 4.991 -3.310 42.009 1.00 23.32 O +ATOM 2383 OE2 GLU A 308 6.919 -4.141 42.238 1.00 27.76 O +ATOM 2384 N GLU A 309 2.893 -7.543 43.308 1.00 35.06 N +ATOM 2385 CA GLU A 309 3.155 -8.995 43.123 1.00 37.44 C +ATOM 2386 C GLU A 309 2.998 -9.439 41.661 1.00 37.07 C +ATOM 2387 O GLU A 309 3.728 -10.263 41.128 1.00 34.96 O +ATOM 2388 CB GLU A 309 2.189 -9.793 44.025 1.00 37.46 C +ATOM 2389 CG GLU A 309 2.880 -10.925 44.714 1.00 44.63 C +ATOM 2390 CD GLU A 309 2.068 -12.118 45.138 1.00 48.24 C +ATOM 2391 OE1 GLU A 309 1.735 -12.801 44.112 1.00 53.82 O +ATOM 2392 OE2 GLU A 309 1.823 -12.321 46.298 1.00 49.26 O +ATOM 2393 N GLU A 310 2.017 -8.864 40.962 1.00 39.26 N +ATOM 2394 CA GLU A 310 1.764 -9.191 39.578 1.00 41.74 C +ATOM 2395 C GLU A 310 2.656 -8.346 38.653 1.00 42.96 C +ATOM 2396 O GLU A 310 2.921 -8.757 37.461 1.00 44.07 O +ATOM 2397 CB GLU A 310 0.309 -8.931 39.241 1.00 45.99 C +ATOM 2398 CG GLU A 310 -0.789 -9.197 40.255 1.00 53.78 C +ATOM 2399 CD GLU A 310 -2.179 -8.698 39.844 1.00 59.50 C +ATOM 2400 OE1 GLU A 310 -2.717 -8.676 38.705 1.00 60.18 O +ATOM 2401 OE2 GLU A 310 -2.827 -8.282 40.881 1.00 62.13 O +ATOM 2402 N LEU A 311 3.084 -7.207 39.223 1.00 40.62 N +ATOM 2403 CA LEU A 311 3.889 -6.214 38.434 1.00 39.00 C +ATOM 2404 C LEU A 311 5.326 -6.610 38.299 1.00 39.37 C +ATOM 2405 O LEU A 311 6.065 -6.264 37.292 1.00 34.71 O +ATOM 2406 CB LEU A 311 3.657 -4.868 39.117 1.00 33.62 C +ATOM 2407 CG LEU A 311 3.140 -3.751 38.278 1.00 33.27 C +ATOM 2408 CD1 LEU A 311 2.114 -4.208 37.284 1.00 27.90 C +ATOM 2409 CD2 LEU A 311 2.629 -2.765 39.332 1.00 32.20 C +ATOM 2410 N ALA A 312 5.986 -7.363 39.288 1.00 41.27 N +ATOM 2411 CA ALA A 312 7.269 -7.450 38.545 1.00 44.77 C +ATOM 2412 C ALA A 312 8.251 -8.500 38.936 1.00 44.68 C +ATOM 2413 O ALA A 312 8.734 -8.336 39.979 1.00 46.80 O +ATOM 2414 CB ALA A 312 7.777 -6.068 38.273 1.00 48.19 C +ATOM 2415 N LYS A 313 8.156 -9.396 38.067 1.00 43.40 N +ATOM 2416 CA LYS A 313 8.227 -10.300 37.018 1.00 42.92 C +ATOM 2417 C LYS A 313 8.569 -9.603 35.665 1.00 39.72 C +ATOM 2418 O LYS A 313 9.305 -10.134 34.786 1.00 41.92 O +ATOM 2419 CB LYS A 313 6.891 -11.060 36.777 1.00 44.36 C +ATOM 2420 CG LYS A 313 5.952 -10.884 37.952 1.00 49.80 C +ATOM 2421 CD LYS A 313 5.825 -12.118 38.858 1.00 52.47 C +ATOM 2422 CE LYS A 313 4.562 -12.114 39.716 1.00 55.24 C +ATOM 2423 NZ LYS A 313 3.415 -12.979 39.329 1.00 56.79 N +ATOM 2424 N ASP A 314 8.024 -8.387 35.642 1.00 35.61 N +ATOM 2425 CA ASP A 314 8.286 -7.512 34.442 1.00 33.24 C +ATOM 2426 C ASP A 314 9.745 -7.066 34.563 1.00 29.14 C +ATOM 2427 O ASP A 314 10.013 -6.527 35.645 1.00 30.71 O +ATOM 2428 CB ASP A 314 7.254 -6.424 34.302 1.00 32.83 C +ATOM 2429 CG ASP A 314 7.333 -5.527 33.083 1.00 31.36 C +ATOM 2430 OD1 ASP A 314 8.328 -5.335 32.400 1.00 32.19 O +ATOM 2431 OD2 ASP A 314 6.273 -4.868 32.813 1.00 36.91 O +ATOM 2432 N PRO A 315 10.593 -7.339 33.620 1.00 26.01 N +ATOM 2433 CA PRO A 315 11.969 -6.984 33.705 1.00 26.03 C +ATOM 2434 C PRO A 315 12.179 -5.436 33.819 1.00 23.11 C +ATOM 2435 O PRO A 315 13.263 -5.094 34.330 1.00 22.58 O +ATOM 2436 CB PRO A 315 12.623 -7.677 32.498 1.00 27.67 C +ATOM 2437 CG PRO A 315 11.515 -7.875 31.498 1.00 27.58 C +ATOM 2438 CD PRO A 315 10.271 -8.078 32.357 1.00 28.10 C +ATOM 2439 N ARG A 316 11.332 -4.648 33.311 1.00 22.71 N +ATOM 2440 CA ARG A 316 11.319 -3.160 33.354 1.00 22.46 C +ATOM 2441 C ARG A 316 11.155 -2.735 34.803 1.00 22.51 C +ATOM 2442 O ARG A 316 11.915 -1.871 35.253 1.00 21.69 O +ATOM 2443 CB ARG A 316 10.260 -2.542 32.458 1.00 24.55 C +ATOM 2444 CG ARG A 316 10.691 -2.863 30.985 1.00 21.61 C +ATOM 2445 CD ARG A 316 9.735 -2.366 30.018 1.00 24.42 C +ATOM 2446 NE ARG A 316 8.379 -2.720 30.358 1.00 25.62 N +ATOM 2447 CZ ARG A 316 7.185 -2.364 30.006 1.00 25.75 C +ATOM 2448 NH1 ARG A 316 6.836 -1.422 29.045 1.00 30.76 N +ATOM 2449 NH2 ARG A 316 6.105 -2.832 30.689 1.00 28.63 N +ATOM 2450 N ILE A 317 10.236 -3.380 35.444 1.00 22.14 N +ATOM 2451 CA ILE A 317 9.955 -3.207 36.885 1.00 24.72 C +ATOM 2452 C ILE A 317 11.108 -3.712 37.706 1.00 25.68 C +ATOM 2453 O ILE A 317 11.542 -3.141 38.744 1.00 23.31 O +ATOM 2454 CB ILE A 317 8.545 -3.721 37.276 1.00 24.64 C +ATOM 2455 CG1 ILE A 317 7.602 -2.632 36.661 1.00 27.94 C +ATOM 2456 CG2 ILE A 317 8.331 -3.748 38.821 1.00 26.99 C +ATOM 2457 CD1 ILE A 317 6.287 -2.506 37.381 1.00 32.96 C +ATOM 2458 N ALA A 318 11.694 -4.866 37.333 1.00 25.13 N +ATOM 2459 CA ALA A 318 12.849 -5.339 38.102 1.00 23.36 C +ATOM 2460 C ALA A 318 14.007 -4.370 38.042 1.00 23.40 C +ATOM 2461 O ALA A 318 14.815 -4.145 38.957 1.00 23.37 O +ATOM 2462 CB ALA A 318 13.251 -6.661 37.512 1.00 23.30 C +ATOM 2463 N ALA A 319 14.153 -3.736 36.877 1.00 22.32 N +ATOM 2464 CA ALA A 319 15.273 -2.783 36.728 1.00 20.47 C +ATOM 2465 C ALA A 319 15.031 -1.506 37.532 1.00 19.03 C +ATOM 2466 O ALA A 319 15.988 -0.886 38.018 1.00 18.75 O +ATOM 2467 CB ALA A 319 15.401 -2.551 35.186 1.00 20.41 C +ATOM 2468 N THR A 320 13.767 -1.139 37.572 1.00 18.38 N +ATOM 2469 CA THR A 320 13.277 0.029 38.327 1.00 21.40 C +ATOM 2470 C THR A 320 13.670 -0.163 39.815 1.00 22.53 C +ATOM 2471 O THR A 320 14.363 0.726 40.400 1.00 21.62 O +ATOM 2472 CB THR A 320 11.768 0.283 38.248 1.00 19.28 C +ATOM 2473 OG1 THR A 320 11.460 0.518 36.868 1.00 20.77 O +ATOM 2474 CG2 THR A 320 11.245 1.451 39.179 1.00 18.05 C +ATOM 2475 N MET A 321 13.266 -1.368 40.292 1.00 20.96 N +ATOM 2476 CA MET A 321 13.683 -1.771 41.680 1.00 24.11 C +ATOM 2477 C MET A 321 15.161 -1.849 41.922 1.00 21.99 C +ATOM 2478 O MET A 321 15.682 -1.460 43.030 1.00 21.03 O +ATOM 2479 CB MET A 321 12.995 -3.090 42.079 1.00 30.25 C +ATOM 2480 CG MET A 321 11.764 -2.723 42.942 1.00 38.08 C +ATOM 2481 SD MET A 321 10.835 -4.318 42.838 1.00 48.07 S +ATOM 2482 CE MET A 321 12.266 -5.373 43.270 1.00 43.91 C +ATOM 2483 N GLU A 322 15.956 -2.271 40.973 1.00 21.26 N +ATOM 2484 CA GLU A 322 17.376 -2.312 41.190 1.00 23.29 C +ATOM 2485 C GLU A 322 17.976 -0.899 41.271 1.00 22.41 C +ATOM 2486 O GLU A 322 18.891 -0.688 42.088 1.00 19.92 O +ATOM 2487 CB GLU A 322 18.023 -3.095 40.035 1.00 30.03 C +ATOM 2488 CG GLU A 322 19.541 -3.060 39.921 1.00 37.69 C +ATOM 2489 CD GLU A 322 20.162 -4.415 39.567 1.00 45.45 C +ATOM 2490 OE1 GLU A 322 19.203 -5.296 39.522 1.00 48.17 O +ATOM 2491 OE2 GLU A 322 21.410 -4.494 39.454 1.00 46.30 O +ATOM 2492 N ASN A 323 17.514 -0.002 40.380 1.00 19.96 N +ATOM 2493 CA ASN A 323 18.078 1.401 40.441 1.00 17.98 C +ATOM 2494 C ASN A 323 17.568 2.020 41.753 1.00 15.90 C +ATOM 2495 O ASN A 323 18.351 2.771 42.310 1.00 16.18 O +ATOM 2496 CB ASN A 323 17.536 2.106 39.181 1.00 17.12 C +ATOM 2497 CG ASN A 323 18.364 1.762 37.917 1.00 16.19 C +ATOM 2498 OD1 ASN A 323 19.605 1.915 37.947 1.00 18.44 O +ATOM 2499 ND2 ASN A 323 17.701 1.335 36.935 1.00 16.14 N +ATOM 2500 N ALA A 324 16.332 1.739 42.068 1.00 14.92 N +ATOM 2501 CA ALA A 324 15.781 2.283 43.340 1.00 17.28 C +ATOM 2502 C ALA A 324 16.592 1.898 44.556 1.00 19.22 C +ATOM 2503 O ALA A 324 16.921 2.638 45.484 1.00 19.87 O +ATOM 2504 CB ALA A 324 14.293 1.871 43.505 1.00 14.71 C +ATOM 2505 N GLN A 325 16.981 0.615 44.627 1.00 23.76 N +ATOM 2506 CA GLN A 325 17.836 -0.011 45.657 1.00 25.61 C +ATOM 2507 C GLN A 325 19.201 0.627 45.715 1.00 23.27 C +ATOM 2508 O GLN A 325 19.775 0.765 46.812 1.00 25.60 O +ATOM 2509 CB GLN A 325 17.900 -1.554 45.454 1.00 32.46 C +ATOM 2510 CG GLN A 325 16.660 -2.226 46.040 1.00 43.75 C +ATOM 2511 CD GLN A 325 16.714 -2.166 47.580 1.00 53.35 C +ATOM 2512 OE1 GLN A 325 15.653 -1.973 48.245 1.00 59.01 O +ATOM 2513 NE2 GLN A 325 17.880 -2.305 48.272 1.00 54.67 N +ATOM 2514 N LYS A 326 19.828 1.126 44.689 1.00 20.42 N +ATOM 2515 CA LYS A 326 21.067 1.790 44.632 1.00 19.27 C +ATOM 2516 C LYS A 326 20.910 3.291 44.881 1.00 20.63 C +ATOM 2517 O LYS A 326 21.901 3.981 45.005 1.00 23.89 O +ATOM 2518 CB LYS A 326 21.653 1.575 43.241 1.00 23.16 C +ATOM 2519 CG LYS A 326 21.650 0.073 43.090 1.00 26.63 C +ATOM 2520 CD LYS A 326 22.762 -0.662 42.509 1.00 35.11 C +ATOM 2521 CE LYS A 326 22.424 -1.084 41.014 1.00 36.66 C +ATOM 2522 NZ LYS A 326 23.461 -2.223 40.908 1.00 42.18 N +ATOM 2523 N GLY A 327 19.697 3.721 44.902 1.00 19.85 N +ATOM 2524 CA GLY A 327 19.441 5.115 45.103 1.00 20.10 C +ATOM 2525 C GLY A 327 19.154 5.384 46.581 1.00 21.75 C +ATOM 2526 O GLY A 327 19.465 4.636 47.514 1.00 24.65 O +ATOM 2527 N GLU A 328 18.465 6.465 46.792 1.00 21.74 N +ATOM 2528 CA GLU A 328 18.044 6.930 48.109 1.00 23.60 C +ATOM 2529 C GLU A 328 16.715 7.634 47.986 1.00 20.20 C +ATOM 2530 O GLU A 328 16.476 8.416 47.022 1.00 21.38 O +ATOM 2531 CB GLU A 328 19.183 7.684 48.695 1.00 26.99 C +ATOM 2532 CG GLU A 328 19.396 9.115 48.815 1.00 39.78 C +ATOM 2533 CD GLU A 328 20.252 9.452 50.039 1.00 46.04 C +ATOM 2534 OE1 GLU A 328 21.435 9.049 50.012 1.00 50.45 O +ATOM 2535 OE2 GLU A 328 19.593 10.113 50.924 1.00 51.26 O +ATOM 2536 N ILE A 329 15.835 7.278 48.865 1.00 18.47 N +ATOM 2537 CA ILE A 329 14.512 7.850 48.978 1.00 22.81 C +ATOM 2538 C ILE A 329 14.716 9.319 49.323 1.00 21.18 C +ATOM 2539 O ILE A 329 15.558 9.632 50.177 1.00 22.50 O +ATOM 2540 CB ILE A 329 13.705 7.175 50.148 1.00 26.47 C +ATOM 2541 CG1 ILE A 329 12.323 7.830 50.256 1.00 29.54 C +ATOM 2542 CG2 ILE A 329 14.590 7.436 51.445 1.00 32.85 C +ATOM 2543 CD1 ILE A 329 11.238 6.811 49.727 1.00 36.55 C +ATOM 2544 N MET A 330 14.004 10.230 48.720 1.00 20.31 N +ATOM 2545 CA MET A 330 14.214 11.676 48.984 1.00 16.70 C +ATOM 2546 C MET A 330 13.681 11.962 50.407 1.00 16.98 C +ATOM 2547 O MET A 330 12.640 11.384 50.844 1.00 16.93 O +ATOM 2548 CB MET A 330 13.283 12.426 47.958 1.00 17.18 C +ATOM 2549 CG MET A 330 13.995 12.330 46.582 1.00 15.84 C +ATOM 2550 SD MET A 330 13.001 13.363 45.444 1.00 20.01 S +ATOM 2551 CE MET A 330 11.719 12.344 44.943 1.00 12.57 C +ATOM 2552 N PRO A 331 14.291 12.952 50.977 1.00 18.16 N +ATOM 2553 CA PRO A 331 13.770 13.618 52.206 1.00 18.32 C +ATOM 2554 C PRO A 331 12.455 14.279 51.832 1.00 19.51 C +ATOM 2555 O PRO A 331 12.209 14.639 50.660 1.00 20.22 O +ATOM 2556 CB PRO A 331 14.789 14.752 52.417 1.00 19.06 C +ATOM 2557 CG PRO A 331 16.075 14.125 51.792 1.00 18.27 C +ATOM 2558 CD PRO A 331 15.469 13.674 50.428 1.00 16.86 C +ATOM 2559 N ASN A 332 11.459 14.570 52.699 1.00 19.62 N +ATOM 2560 CA ASN A 332 10.258 15.282 52.456 1.00 17.83 C +ATOM 2561 C ASN A 332 10.290 16.608 53.302 1.00 18.03 C +ATOM 2562 O ASN A 332 9.232 17.222 53.316 1.00 22.06 O +ATOM 2563 CB ASN A 332 9.029 14.515 52.841 1.00 20.22 C +ATOM 2564 CG ASN A 332 8.854 14.227 54.338 1.00 22.63 C +ATOM 2565 OD1 ASN A 332 9.548 14.684 55.223 1.00 23.08 O +ATOM 2566 ND2 ASN A 332 7.942 13.296 54.563 1.00 24.29 N +ATOM 2567 N ILE A 333 11.379 16.927 53.894 1.00 18.29 N +ATOM 2568 CA ILE A 333 11.546 18.150 54.734 1.00 19.45 C +ATOM 2569 C ILE A 333 11.199 19.379 53.956 1.00 20.34 C +ATOM 2570 O ILE A 333 11.411 19.316 52.688 1.00 22.12 O +ATOM 2571 CB ILE A 333 12.992 18.159 55.330 1.00 19.92 C +ATOM 2572 CG1 ILE A 333 14.137 18.246 54.262 1.00 19.00 C +ATOM 2573 CG2 ILE A 333 13.258 16.958 56.270 1.00 20.24 C +ATOM 2574 CD1 ILE A 333 15.557 18.449 54.905 1.00 20.32 C +ATOM 2575 N PRO A 334 10.742 20.494 54.504 1.00 21.00 N +ATOM 2576 CA PRO A 334 10.381 21.727 53.790 1.00 19.32 C +ATOM 2577 C PRO A 334 11.540 22.259 52.966 1.00 20.33 C +ATOM 2578 O PRO A 334 11.331 22.939 51.910 1.00 21.17 O +ATOM 2579 CB PRO A 334 9.952 22.723 54.843 1.00 19.72 C +ATOM 2580 CG PRO A 334 9.422 21.727 55.895 1.00 20.09 C +ATOM 2581 CD PRO A 334 10.437 20.620 55.966 1.00 21.23 C +ATOM 2582 N GLN A 335 12.756 22.002 53.423 1.00 18.96 N +ATOM 2583 CA GLN A 335 13.949 22.471 52.725 1.00 20.55 C +ATOM 2584 C GLN A 335 14.166 21.791 51.347 1.00 22.35 C +ATOM 2585 O GLN A 335 15.045 22.355 50.651 1.00 20.15 O +ATOM 2586 CB GLN A 335 15.223 22.199 53.498 1.00 20.40 C +ATOM 2587 CG GLN A 335 15.280 23.111 54.677 1.00 23.71 C +ATOM 2588 CD GLN A 335 14.291 22.720 55.746 1.00 25.17 C +ATOM 2589 OE1 GLN A 335 13.994 23.690 56.476 1.00 32.46 O +ATOM 2590 NE2 GLN A 335 13.784 21.532 56.025 1.00 20.49 N +ATOM 2591 N MET A 336 13.451 20.729 50.982 1.00 22.07 N +ATOM 2592 CA MET A 336 13.616 20.128 49.599 1.00 20.90 C +ATOM 2593 C MET A 336 13.366 21.087 48.465 1.00 21.36 C +ATOM 2594 O MET A 336 14.124 21.061 47.422 1.00 20.28 O +ATOM 2595 CB MET A 336 12.756 18.876 49.491 1.00 21.12 C +ATOM 2596 CG MET A 336 13.469 17.755 50.231 1.00 20.43 C +ATOM 2597 SD MET A 336 15.148 17.364 49.709 1.00 21.75 S +ATOM 2598 CE MET A 336 14.873 16.592 48.118 1.00 19.22 C +ATOM 2599 N SER A 337 12.454 22.007 48.642 1.00 23.07 N +ATOM 2600 CA SER A 337 12.275 23.030 47.555 1.00 26.38 C +ATOM 2601 C SER A 337 13.459 23.994 47.358 1.00 24.84 C +ATOM 2602 O SER A 337 13.716 24.310 46.188 1.00 24.32 O +ATOM 2603 CB SER A 337 10.966 23.745 47.760 1.00 31.40 C +ATOM 2604 OG SER A 337 11.064 25.006 48.268 1.00 38.53 O +ATOM 2605 N ALA A 338 14.205 24.386 48.368 1.00 24.19 N +ATOM 2606 CA ALA A 338 15.379 25.239 48.263 1.00 23.24 C +ATOM 2607 C ALA A 338 16.494 24.444 47.576 1.00 21.74 C +ATOM 2608 O ALA A 338 17.150 25.014 46.682 1.00 23.09 O +ATOM 2609 CB ALA A 338 15.906 25.792 49.564 1.00 20.70 C +ATOM 2610 N PHE A 339 16.683 23.241 48.055 1.00 19.84 N +ATOM 2611 CA PHE A 339 17.666 22.328 47.454 1.00 18.27 C +ATOM 2612 C PHE A 339 17.401 22.246 45.941 1.00 16.85 C +ATOM 2613 O PHE A 339 18.367 22.430 45.171 1.00 18.64 O +ATOM 2614 CB PHE A 339 17.469 20.940 48.142 1.00 18.85 C +ATOM 2615 CG PHE A 339 18.221 19.836 47.385 1.00 20.26 C +ATOM 2616 CD1 PHE A 339 19.582 19.619 47.576 1.00 19.47 C +ATOM 2617 CD2 PHE A 339 17.458 19.027 46.477 1.00 18.45 C +ATOM 2618 CE1 PHE A 339 20.257 18.697 46.782 1.00 17.20 C +ATOM 2619 CE2 PHE A 339 18.192 18.002 45.816 1.00 19.23 C +ATOM 2620 CZ PHE A 339 19.569 17.878 45.945 1.00 17.43 C +ATOM 2621 N TRP A 340 16.183 21.910 45.546 1.00 15.64 N +ATOM 2622 CA TRP A 340 15.949 21.735 44.090 1.00 19.80 C +ATOM 2623 C TRP A 340 16.186 22.962 43.216 1.00 20.80 C +ATOM 2624 O TRP A 340 16.697 22.936 42.098 1.00 20.98 O +ATOM 2625 CB TRP A 340 14.495 21.162 43.854 1.00 17.62 C +ATOM 2626 CG TRP A 340 14.291 19.742 44.201 1.00 15.81 C +ATOM 2627 CD1 TRP A 340 13.279 19.189 44.932 1.00 14.78 C +ATOM 2628 CD2 TRP A 340 15.068 18.632 43.651 1.00 18.26 C +ATOM 2629 NE1 TRP A 340 13.440 17.803 44.912 1.00 17.80 N +ATOM 2630 CE2 TRP A 340 14.502 17.393 44.179 1.00 16.28 C +ATOM 2631 CE3 TRP A 340 16.170 18.505 42.762 1.00 17.79 C +ATOM 2632 CZ2 TRP A 340 14.979 16.167 43.781 1.00 15.58 C +ATOM 2633 CZ3 TRP A 340 16.668 17.262 42.442 1.00 17.99 C +ATOM 2634 CH2 TRP A 340 16.122 16.060 42.991 1.00 18.45 C +ATOM 2635 N TYR A 341 15.740 24.089 43.762 1.00 22.30 N +ATOM 2636 CA TYR A 341 15.927 25.330 42.894 1.00 25.19 C +ATOM 2637 C TYR A 341 17.370 25.692 42.838 1.00 21.63 C +ATOM 2638 O TYR A 341 17.865 26.038 41.768 1.00 19.50 O +ATOM 2639 CB TYR A 341 14.896 26.281 43.356 1.00 35.36 C +ATOM 2640 CG TYR A 341 14.871 27.314 44.362 1.00 45.18 C +ATOM 2641 CD1 TYR A 341 15.594 28.518 44.442 1.00 49.31 C +ATOM 2642 CD2 TYR A 341 13.886 27.066 45.347 1.00 51.69 C +ATOM 2643 CE1 TYR A 341 15.417 29.424 45.516 1.00 53.83 C +ATOM 2644 CE2 TYR A 341 13.678 27.934 46.430 1.00 55.99 C +ATOM 2645 CZ TYR A 341 14.456 29.107 46.487 1.00 56.86 C +ATOM 2646 OH TYR A 341 14.093 29.844 47.609 1.00 61.27 O +ATOM 2647 N ALA A 342 18.100 25.512 43.965 1.00 20.33 N +ATOM 2648 CA ALA A 342 19.563 25.805 43.940 1.00 16.66 C +ATOM 2649 C ALA A 342 20.297 24.884 43.000 1.00 18.51 C +ATOM 2650 O ALA A 342 21.172 25.300 42.165 1.00 16.46 O +ATOM 2651 CB ALA A 342 20.120 25.753 45.349 1.00 15.25 C +ATOM 2652 N VAL A 343 19.953 23.578 43.026 1.00 17.57 N +ATOM 2653 CA VAL A 343 20.668 22.598 42.167 1.00 17.31 C +ATOM 2654 C VAL A 343 20.255 22.793 40.710 1.00 16.83 C +ATOM 2655 O VAL A 343 21.038 22.608 39.807 1.00 15.53 O +ATOM 2656 CB VAL A 343 20.470 21.200 42.822 1.00 18.41 C +ATOM 2657 CG1 VAL A 343 20.916 20.136 41.843 1.00 20.17 C +ATOM 2658 CG2 VAL A 343 21.226 21.170 44.160 1.00 18.69 C +ATOM 2659 N ARG A 344 19.046 23.217 40.455 1.00 18.04 N +ATOM 2660 CA ARG A 344 18.563 23.495 39.101 1.00 21.04 C +ATOM 2661 C ARG A 344 19.387 24.631 38.497 1.00 20.30 C +ATOM 2662 O ARG A 344 19.953 24.397 37.377 1.00 22.22 O +ATOM 2663 CB ARG A 344 17.055 23.780 38.999 1.00 21.05 C +ATOM 2664 CG ARG A 344 16.604 23.919 37.501 1.00 26.33 C +ATOM 2665 CD ARG A 344 15.266 24.682 37.384 1.00 33.39 C +ATOM 2666 NE ARG A 344 14.475 24.564 38.574 1.00 41.20 N +ATOM 2667 CZ ARG A 344 13.872 23.412 38.933 1.00 44.60 C +ATOM 2668 NH1 ARG A 344 13.723 22.447 38.030 1.00 47.84 N +ATOM 2669 NH2 ARG A 344 13.311 23.204 40.149 1.00 50.39 N +ATOM 2670 N THR A 345 19.483 25.723 39.236 1.00 19.84 N +ATOM 2671 CA THR A 345 20.359 26.797 38.636 1.00 20.59 C +ATOM 2672 C THR A 345 21.767 26.382 38.316 1.00 23.30 C +ATOM 2673 O THR A 345 22.303 26.499 37.137 1.00 22.88 O +ATOM 2674 CB THR A 345 20.279 27.978 39.708 1.00 20.73 C +ATOM 2675 OG1 THR A 345 18.891 28.297 39.857 1.00 21.65 O +ATOM 2676 CG2 THR A 345 21.189 29.142 39.397 1.00 21.30 C +ATOM 2677 N ALA A 346 22.398 25.718 39.366 1.00 21.33 N +ATOM 2678 CA ALA A 346 23.787 25.284 39.285 1.00 20.71 C +ATOM 2679 C ALA A 346 24.077 24.516 38.043 1.00 19.84 C +ATOM 2680 O ALA A 346 25.096 24.591 37.351 1.00 23.05 O +ATOM 2681 CB ALA A 346 24.257 24.472 40.516 1.00 18.83 C +ATOM 2682 N VAL A 347 23.254 23.566 37.693 1.00 22.85 N +ATOM 2683 CA VAL A 347 23.544 22.641 36.539 1.00 22.00 C +ATOM 2684 C VAL A 347 23.417 23.380 35.178 1.00 23.30 C +ATOM 2685 O VAL A 347 24.231 23.104 34.280 1.00 23.48 O +ATOM 2686 CB VAL A 347 22.648 21.386 36.603 1.00 22.26 C +ATOM 2687 CG1 VAL A 347 22.591 20.635 35.267 1.00 23.03 C +ATOM 2688 CG2 VAL A 347 22.960 20.375 37.731 1.00 18.05 C +ATOM 2689 N ILE A 348 22.339 24.167 35.192 1.00 22.71 N +ATOM 2690 CA ILE A 348 22.082 24.896 33.927 1.00 25.23 C +ATOM 2691 C ILE A 348 23.239 25.872 33.717 1.00 24.58 C +ATOM 2692 O ILE A 348 23.804 25.850 32.649 1.00 24.59 O +ATOM 2693 CB ILE A 348 20.675 25.483 34.050 1.00 25.22 C +ATOM 2694 CG1 ILE A 348 19.588 24.485 33.594 1.00 23.57 C +ATOM 2695 CG2 ILE A 348 20.586 26.820 33.292 1.00 27.98 C +ATOM 2696 CD1 ILE A 348 18.254 25.174 34.094 1.00 28.81 C +ATOM 2697 N ASN A 349 23.564 26.626 34.727 1.00 26.89 N +ATOM 2698 CA ASN A 349 24.688 27.604 34.621 1.00 25.49 C +ATOM 2699 C ASN A 349 25.976 26.878 34.270 1.00 24.40 C +ATOM 2700 O ASN A 349 26.799 27.445 33.541 1.00 24.15 O +ATOM 2701 CB ASN A 349 24.773 28.497 35.867 1.00 25.19 C +ATOM 2702 CG ASN A 349 23.702 29.503 36.138 1.00 25.07 C +ATOM 2703 OD1 ASN A 349 22.858 29.843 35.320 1.00 31.75 O +ATOM 2704 ND2 ASN A 349 23.717 30.062 37.377 1.00 27.28 N +ATOM 2705 N ALA A 350 26.266 25.694 34.801 1.00 22.84 N +ATOM 2706 CA ALA A 350 27.471 24.994 34.532 1.00 22.87 C +ATOM 2707 C ALA A 350 27.422 24.356 33.142 1.00 25.48 C +ATOM 2708 O ALA A 350 28.527 24.329 32.461 1.00 25.91 O +ATOM 2709 CB ALA A 350 27.832 23.864 35.536 1.00 19.82 C +ATOM 2710 N ALA A 351 26.272 23.835 32.764 1.00 25.14 N +ATOM 2711 CA ALA A 351 26.210 23.144 31.417 1.00 26.99 C +ATOM 2712 C ALA A 351 26.326 24.136 30.244 1.00 27.64 C +ATOM 2713 O ALA A 351 26.984 23.909 29.202 1.00 29.35 O +ATOM 2714 CB ALA A 351 24.920 22.328 31.361 1.00 27.22 C +ATOM 2715 N SER A 352 25.730 25.296 30.445 1.00 29.27 N +ATOM 2716 CA SER A 352 25.669 26.460 29.551 1.00 30.40 C +ATOM 2717 C SER A 352 27.006 27.206 29.527 1.00 31.95 C +ATOM 2718 O SER A 352 27.151 28.066 28.645 1.00 35.02 O +ATOM 2719 CB SER A 352 24.485 27.329 29.958 1.00 26.61 C +ATOM 2720 OG SER A 352 24.845 28.101 31.104 1.00 30.58 O +ATOM 2721 N GLY A 353 27.961 26.932 30.405 1.00 30.84 N +ATOM 2722 CA GLY A 353 29.266 27.459 30.548 1.00 29.04 C +ATOM 2723 C GLY A 353 29.268 28.848 31.129 1.00 31.84 C +ATOM 2724 O GLY A 353 30.413 29.380 31.015 1.00 33.36 O +ATOM 2725 N ARG A 354 28.153 29.274 31.755 1.00 30.68 N +ATOM 2726 CA ARG A 354 28.007 30.580 32.361 1.00 33.29 C +ATOM 2727 C ARG A 354 28.873 30.642 33.652 1.00 35.02 C +ATOM 2728 O ARG A 354 29.288 31.748 34.106 1.00 38.74 O +ATOM 2729 CB ARG A 354 26.651 31.135 32.730 1.00 31.66 C +ATOM 2730 CG ARG A 354 25.479 31.278 31.822 1.00 35.91 C +ATOM 2731 CD ARG A 354 24.595 32.491 32.152 1.00 36.12 C +ATOM 2732 NE ARG A 354 23.232 32.034 32.132 1.00 41.26 N +ATOM 2733 CZ ARG A 354 22.622 31.293 31.186 1.00 42.90 C +ATOM 2734 NH1 ARG A 354 22.834 30.810 29.969 1.00 40.51 N +ATOM 2735 NH2 ARG A 354 21.485 30.649 31.647 1.00 45.01 N +ATOM 2736 N GLN A 355 29.058 29.487 34.291 1.00 32.88 N +ATOM 2737 CA GLN A 355 29.822 29.377 35.518 1.00 28.32 C +ATOM 2738 C GLN A 355 30.580 28.048 35.350 1.00 26.91 C +ATOM 2739 O GLN A 355 30.151 27.187 34.610 1.00 25.60 O +ATOM 2740 CB GLN A 355 28.991 29.277 36.789 1.00 27.33 C +ATOM 2741 CG GLN A 355 28.299 30.515 37.289 1.00 27.67 C +ATOM 2742 CD GLN A 355 27.496 30.260 38.538 1.00 30.61 C +ATOM 2743 OE1 GLN A 355 26.484 29.544 38.554 1.00 31.20 O +ATOM 2744 NE2 GLN A 355 27.887 30.907 39.650 1.00 28.51 N +ATOM 2745 N THR A 356 31.662 28.005 36.075 1.00 26.36 N +ATOM 2746 CA THR A 356 32.500 26.809 36.200 1.00 26.12 C +ATOM 2747 C THR A 356 31.708 25.926 37.222 1.00 24.97 C +ATOM 2748 O THR A 356 30.895 26.455 37.991 1.00 24.65 O +ATOM 2749 CB THR A 356 33.957 26.965 36.739 1.00 26.48 C +ATOM 2750 OG1 THR A 356 33.944 27.558 38.085 1.00 25.11 O +ATOM 2751 CG2 THR A 356 34.885 27.801 35.806 1.00 29.29 C +ATOM 2752 N VAL A 357 32.062 24.653 37.202 1.00 25.60 N +ATOM 2753 CA VAL A 357 31.501 23.707 38.180 1.00 24.62 C +ATOM 2754 C VAL A 357 31.734 24.166 39.593 1.00 24.29 C +ATOM 2755 O VAL A 357 30.714 24.229 40.344 1.00 26.92 O +ATOM 2756 CB VAL A 357 32.093 22.304 37.884 1.00 24.42 C +ATOM 2757 CG1 VAL A 357 31.678 21.268 38.931 1.00 22.52 C +ATOM 2758 CG2 VAL A 357 31.644 22.012 36.448 1.00 24.91 C +ATOM 2759 N ASP A 358 32.953 24.484 39.942 1.00 25.19 N +ATOM 2760 CA ASP A 358 33.344 24.926 41.334 1.00 27.18 C +ATOM 2761 C ASP A 358 32.514 26.130 41.776 1.00 26.89 C +ATOM 2762 O ASP A 358 31.905 26.093 42.883 1.00 25.43 O +ATOM 2763 CB ASP A 358 34.843 25.101 41.393 1.00 34.51 C +ATOM 2764 CG ASP A 358 35.802 23.967 41.224 1.00 39.72 C +ATOM 2765 OD1 ASP A 358 36.057 23.123 42.114 1.00 47.15 O +ATOM 2766 OD2 ASP A 358 36.537 23.785 40.200 1.00 49.39 O +ATOM 2767 N GLU A 359 32.434 27.152 40.953 1.00 25.66 N +ATOM 2768 CA GLU A 359 31.614 28.319 41.176 1.00 25.86 C +ATOM 2769 C GLU A 359 30.142 27.927 41.252 1.00 23.65 C +ATOM 2770 O GLU A 359 29.452 28.446 42.150 1.00 24.02 O +ATOM 2771 CB GLU A 359 31.637 29.360 40.044 1.00 32.11 C +ATOM 2772 CG GLU A 359 32.839 30.305 40.004 1.00 38.99 C +ATOM 2773 CD GLU A 359 33.205 30.920 38.658 1.00 42.40 C +ATOM 2774 OE1 GLU A 359 32.254 31.002 37.852 1.00 41.52 O +ATOM 2775 OE2 GLU A 359 34.387 31.244 38.381 1.00 45.30 O +ATOM 2776 N ALA A 360 29.610 27.138 40.378 1.00 20.82 N +ATOM 2777 CA ALA A 360 28.185 26.769 40.421 1.00 19.55 C +ATOM 2778 C ALA A 360 27.774 26.025 41.702 1.00 17.14 C +ATOM 2779 O ALA A 360 26.691 26.412 42.251 1.00 18.13 O +ATOM 2780 CB ALA A 360 27.877 25.907 39.169 1.00 18.90 C +ATOM 2781 N LEU A 361 28.602 25.101 42.105 1.00 18.86 N +ATOM 2782 CA LEU A 361 28.243 24.220 43.260 1.00 18.39 C +ATOM 2783 C LEU A 361 28.434 24.944 44.549 1.00 22.29 C +ATOM 2784 O LEU A 361 27.709 24.653 45.479 1.00 23.42 O +ATOM 2785 CB LEU A 361 28.953 22.871 43.227 1.00 18.88 C +ATOM 2786 CG LEU A 361 28.475 22.040 41.972 1.00 19.71 C +ATOM 2787 CD1 LEU A 361 29.335 20.843 41.840 1.00 17.72 C +ATOM 2788 CD2 LEU A 361 26.950 21.759 42.071 1.00 14.79 C +ATOM 2789 N LYS A 362 29.337 25.906 44.408 1.00 23.80 N +ATOM 2790 CA LYS A 362 29.568 26.661 45.693 1.00 23.44 C +ATOM 2791 C LYS A 362 28.428 27.564 45.901 1.00 22.81 C +ATOM 2792 O LYS A 362 27.987 27.787 47.084 1.00 25.51 O +ATOM 2793 CB LYS A 362 30.873 27.335 45.512 1.00 29.64 C +ATOM 2794 CG LYS A 362 31.402 27.999 46.763 1.00 37.21 C +ATOM 2795 CD LYS A 362 31.527 29.478 46.318 1.00 45.09 C +ATOM 2796 CE LYS A 362 30.144 30.127 46.682 1.00 50.12 C +ATOM 2797 NZ LYS A 362 30.261 31.646 46.496 1.00 55.02 N +ATOM 2798 N ASP A 363 27.921 28.164 44.894 1.00 22.46 N +ATOM 2799 CA ASP A 363 26.787 29.099 45.077 1.00 23.70 C +ATOM 2800 C ASP A 363 25.553 28.384 45.590 1.00 21.93 C +ATOM 2801 O ASP A 363 24.697 28.907 46.258 1.00 22.41 O +ATOM 2802 CB ASP A 363 26.390 29.666 43.703 1.00 30.99 C +ATOM 2803 CG ASP A 363 27.041 31.019 43.435 1.00 41.33 C +ATOM 2804 OD1 ASP A 363 28.007 31.449 44.182 1.00 44.85 O +ATOM 2805 OD2 ASP A 363 26.525 31.627 42.421 1.00 46.02 O +ATOM 2806 N ALA A 364 25.470 27.167 45.036 1.00 20.83 N +ATOM 2807 CA ALA A 364 24.307 26.334 45.367 1.00 20.13 C +ATOM 2808 C ALA A 364 24.311 26.015 46.839 1.00 19.47 C +ATOM 2809 O ALA A 364 23.307 26.000 47.581 1.00 19.07 O +ATOM 2810 CB ALA A 364 24.253 25.102 44.416 1.00 17.22 C +ATOM 2811 N GLN A 365 25.545 25.630 47.270 1.00 20.72 N +ATOM 2812 CA GLN A 365 25.793 25.252 48.697 1.00 23.13 C +ATOM 2813 C GLN A 365 25.404 26.367 49.621 1.00 23.99 C +ATOM 2814 O GLN A 365 24.720 26.209 50.643 1.00 25.68 O +ATOM 2815 CB GLN A 365 27.245 24.855 48.775 1.00 27.82 C +ATOM 2816 CG GLN A 365 27.764 24.633 50.172 1.00 33.30 C +ATOM 2817 CD GLN A 365 27.336 23.322 50.734 1.00 39.43 C +ATOM 2818 OE1 GLN A 365 26.887 22.383 50.047 1.00 42.04 O +ATOM 2819 NE2 GLN A 365 27.543 23.272 52.061 1.00 41.78 N +ATOM 2820 N THR A 366 25.836 27.614 49.306 1.00 25.64 N +ATOM 2821 CA THR A 366 25.506 28.835 50.016 1.00 24.71 C +ATOM 2822 C THR A 366 24.047 29.111 50.003 1.00 24.90 C +ATOM 2823 O THR A 366 23.480 29.386 51.063 1.00 28.95 O +ATOM 2824 CB THR A 366 26.193 30.108 49.303 1.00 26.56 C +ATOM 2825 OG1 THR A 366 27.536 29.683 49.314 1.00 29.29 O +ATOM 2826 CG2 THR A 366 25.759 31.337 50.087 1.00 28.25 C +ATOM 2827 N ARG A 367 23.435 29.037 48.826 1.00 24.37 N +ATOM 2828 CA ARG A 367 22.036 29.255 48.726 1.00 24.44 C +ATOM 2829 C ARG A 367 21.287 28.297 49.628 1.00 27.44 C +ATOM 2830 O ARG A 367 20.266 28.742 50.263 1.00 29.58 O +ATOM 2831 CB ARG A 367 21.594 29.026 47.278 1.00 28.34 C +ATOM 2832 CG ARG A 367 22.056 30.239 46.447 1.00 36.19 C +ATOM 2833 CD ARG A 367 21.230 30.366 45.229 1.00 43.32 C +ATOM 2834 NE ARG A 367 19.791 30.044 45.283 1.00 49.69 N +ATOM 2835 CZ ARG A 367 19.145 29.885 44.063 1.00 56.63 C +ATOM 2836 NH1 ARG A 367 19.863 29.735 42.909 1.00 54.14 N +ATOM 2837 NH2 ARG A 367 17.777 29.752 43.897 1.00 60.31 N +ATOM 2838 N ILE A 368 21.608 27.014 49.638 1.00 24.54 N +ATOM 2839 CA ILE A 368 20.863 26.051 50.451 1.00 26.05 C +ATOM 2840 C ILE A 368 21.022 26.211 51.945 1.00 25.93 C +ATOM 2841 O ILE A 368 20.040 26.039 52.673 1.00 24.75 O +ATOM 2842 CB ILE A 368 21.163 24.512 50.072 1.00 25.20 C +ATOM 2843 CG1 ILE A 368 20.838 24.255 48.583 1.00 21.49 C +ATOM 2844 CG2 ILE A 368 20.339 23.585 51.067 1.00 23.97 C +ATOM 2845 CD1 ILE A 368 21.697 23.122 47.907 1.00 22.00 C +ATOM 2846 N THR A 369 22.235 26.464 52.387 1.00 29.61 N +ATOM 2847 CA THR A 369 22.448 26.552 53.846 1.00 32.75 C +ATOM 2848 C THR A 369 22.232 27.917 54.471 1.00 36.83 C +ATOM 2849 O THR A 369 22.330 27.894 55.744 1.00 37.14 O +ATOM 2850 CB THR A 369 23.892 26.042 54.237 1.00 30.83 C +ATOM 2851 OG1 THR A 369 24.789 27.010 53.631 1.00 27.79 O +ATOM 2852 CG2 THR A 369 24.040 24.561 53.813 1.00 31.27 C +ATOM 2853 N LYS A 370 21.926 28.945 53.779 1.00 39.60 N +ATOM 2854 CA LYS A 370 21.731 30.315 54.234 1.00 44.78 C +ATOM 2855 C LYS A 370 20.879 30.604 55.430 1.00 47.81 C +ATOM 2856 CB LYS A 370 21.177 31.156 53.033 1.00 49.22 C +ATOM 2857 CG LYS A 370 22.370 31.851 52.305 1.00 54.39 C +ATOM 2858 CD LYS A 370 21.942 33.223 51.814 1.00 59.84 C +ATOM 2859 CE LYS A 370 22.219 34.389 52.766 1.00 64.71 C +ATOM 2860 NZ LYS A 370 21.328 35.617 52.564 1.00 67.45 N +TER 2861 LYS A 370 +END diff --git a/bench/main_benchmark/structures/SFB_AL_MEK1_3EQIA_3MBLA/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_MEK1_3EQIA_3MBLA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8adf920cff172ef52812fa1b92bab7a44e1dcbdf --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_MEK1_3EQIA_3MBLA/state_a.pdb @@ -0,0 +1,2468 @@ +ATOM 1 N GLU A 39 11.258 65.275 12.846 1.00 72.55 N +ATOM 2 CA GLU A 39 10.042 65.865 13.400 1.00 72.26 C +ATOM 3 C GLU A 39 10.166 66.063 14.905 1.00 75.85 C +ATOM 4 O GLU A 39 9.226 66.510 15.562 1.00 75.40 O +ATOM 5 CB GLU A 39 8.824 64.993 13.078 1.00 73.57 C +ATOM 6 CG GLU A 39 9.083 63.493 13.184 1.00 83.25 C +ATOM 7 CD GLU A 39 9.182 62.817 11.826 1.00 99.41 C +ATOM 8 OE1 GLU A 39 8.481 61.805 11.610 1.00 89.30 O +ATOM 9 OE2 GLU A 39 9.968 63.294 10.979 1.00 92.29 O +ATOM 10 N LEU A 40 11.331 65.724 15.448 1.00 72.21 N +ATOM 11 CA LEU A 40 11.580 65.870 16.876 1.00 71.80 C +ATOM 12 C LEU A 40 12.643 66.931 17.151 1.00 75.24 C +ATOM 13 O LEU A 40 13.036 67.151 18.298 1.00 74.59 O +ATOM 14 CB LEU A 40 11.967 64.528 17.501 1.00 71.84 C +ATOM 15 CG LEU A 40 10.838 63.488 17.568 1.00 76.41 C +ATOM 16 CD1 LEU A 40 11.256 62.268 18.374 1.00 76.34 C +ATOM 17 CD2 LEU A 40 9.551 64.103 18.135 1.00 78.58 C +ATOM 18 N GLU A 41 13.094 67.596 16.090 1.00 71.69 N +ATOM 19 CA GLU A 41 14.077 68.662 16.225 1.00 71.44 C +ATOM 20 C GLU A 41 13.473 69.737 17.122 1.00 74.28 C +ATOM 21 O GLU A 41 12.252 69.897 17.168 1.00 74.23 O +ATOM 22 CB GLU A 41 14.412 69.256 14.853 1.00 72.97 C +ATOM 23 CG GLU A 41 15.694 68.718 14.232 1.00 84.45 C +ATOM 24 CD GLU A 41 15.902 69.211 12.811 1.00107.64 C +ATOM 25 OE1 GLU A 41 15.034 68.942 11.952 1.00103.74 O +ATOM 26 OE2 GLU A 41 16.930 69.875 12.555 1.00102.65 O +ATOM 27 N LEU A 42 14.319 70.467 17.836 1.00 69.57 N +ATOM 28 CA LEU A 42 13.835 71.494 18.747 1.00 68.80 C +ATOM 29 C LEU A 42 14.154 72.916 18.312 1.00 71.78 C +ATOM 30 O LEU A 42 15.297 73.244 17.991 1.00 71.33 O +ATOM 31 CB LEU A 42 14.369 71.251 20.160 1.00 68.77 C +ATOM 32 CG LEU A 42 13.399 70.636 21.170 1.00 73.31 C +ATOM 33 CD1 LEU A 42 13.327 69.129 21.001 1.00 73.39 C +ATOM 34 CD2 LEU A 42 13.807 70.998 22.589 1.00 75.61 C +ATOM 35 N ASP A 43 13.136 73.767 18.340 1.00 67.62 N +ATOM 36 CA ASP A 43 13.296 75.174 18.018 1.00 66.90 C +ATOM 37 C ASP A 43 14.272 75.755 19.038 1.00 68.60 C +ATOM 38 O ASP A 43 14.634 75.086 20.008 1.00 68.07 O +ATOM 39 CB ASP A 43 11.946 75.886 18.168 1.00 69.05 C +ATOM 40 CG ASP A 43 11.508 76.579 16.902 1.00 81.91 C +ATOM 41 OD1 ASP A 43 11.650 75.983 15.815 1.00 82.78 O +ATOM 42 OD2 ASP A 43 11.001 77.716 16.996 1.00 89.13 O +ATOM 43 N GLU A 44 14.673 77.005 18.837 1.00 63.37 N +ATOM 44 CA GLU A 44 15.568 77.664 19.780 1.00 62.20 C +ATOM 45 C GLU A 44 14.770 78.046 21.025 1.00 62.98 C +ATOM 46 O GLU A 44 15.229 77.867 22.151 1.00 62.40 O +ATOM 47 CB GLU A 44 16.191 78.912 19.150 1.00 63.65 C +ATOM 48 CG GLU A 44 17.652 79.130 19.521 1.00 74.94 C +ATOM 49 CD GLU A 44 18.284 80.284 18.759 1.00 97.04 C +ATOM 50 OE1 GLU A 44 17.629 81.340 18.625 1.00 94.00 O +ATOM 51 OE2 GLU A 44 19.438 80.135 18.298 1.00 90.22 O +ATOM 52 N GLN A 45 13.561 78.555 20.805 1.00 57.30 N +ATOM 53 CA GLN A 45 12.683 78.960 21.891 1.00 56.10 C +ATOM 54 C GLN A 45 12.220 77.748 22.695 1.00 57.33 C +ATOM 55 O GLN A 45 12.024 77.833 23.908 1.00 56.72 O +ATOM 56 CB GLN A 45 11.474 79.720 21.341 1.00 57.44 C +ATOM 57 CG GLN A 45 10.390 79.996 22.365 1.00 72.58 C +ATOM 58 CD GLN A 45 9.081 80.430 21.727 1.00 93.05 C +ATOM 59 OE1 GLN A 45 8.376 79.623 21.117 1.00 89.08 O +ATOM 60 NE2 GLN A 45 8.749 81.709 21.867 1.00 84.80 N +ATOM 61 N GLN A 46 12.052 76.622 22.010 1.00 51.82 N +ATOM 62 CA GLN A 46 11.623 75.387 22.653 1.00 50.65 C +ATOM 63 C GLN A 46 12.731 74.837 23.544 1.00 54.12 C +ATOM 64 O GLN A 46 12.507 74.533 24.715 1.00 53.11 O +ATOM 65 CB GLN A 46 11.253 74.342 21.603 1.00 51.52 C +ATOM 66 CG GLN A 46 9.846 74.474 21.039 1.00 52.69 C +ATOM 67 CD GLN A 46 9.547 73.406 20.009 1.00 61.47 C +ATOM 68 OE1 GLN A 46 10.415 73.033 19.223 1.00 53.55 O +ATOM 69 NE2 GLN A 46 8.327 72.881 20.032 1.00 49.95 N +ATOM 70 N ARG A 47 13.921 74.692 22.971 1.00 50.80 N +ATOM 71 CA ARG A 47 15.071 74.173 23.702 1.00 50.62 C +ATOM 72 C ARG A 47 15.307 74.979 24.972 1.00 53.70 C +ATOM 73 O ARG A 47 15.614 74.425 26.025 1.00 53.47 O +ATOM 74 CB ARG A 47 16.322 74.215 22.821 1.00 51.72 C +ATOM 75 CG ARG A 47 17.342 73.142 23.154 1.00 66.56 C +ATOM 76 CD ARG A 47 18.744 73.724 23.296 1.00 80.48 C +ATOM 77 NE ARG A 47 19.240 73.639 24.669 1.00 92.39 N +ATOM 78 CZ ARG A 47 19.174 72.546 25.425 1.00108.53 C +ATOM 79 NH1 ARG A 47 18.630 71.433 24.949 1.00 96.52 N +ATOM 80 NH2 ARG A 47 19.653 72.566 26.660 1.00 96.43 N +ATOM 81 N LYS A 48 15.152 76.292 24.863 1.00 49.81 N +ATOM 82 CA LYS A 48 15.347 77.184 25.994 1.00 49.52 C +ATOM 83 C LYS A 48 14.293 76.963 27.078 1.00 53.01 C +ATOM 84 O LYS A 48 14.585 77.063 28.268 1.00 52.59 O +ATOM 85 CB LYS A 48 15.321 78.641 25.530 1.00 51.99 C +ATOM 86 CG LYS A 48 14.466 79.555 26.402 1.00 69.55 C +ATOM 87 CD LYS A 48 13.612 80.497 25.559 1.00 80.23 C +ATOM 88 CE LYS A 48 14.474 81.468 24.762 1.00 91.47 C +ATOM 89 NZ LYS A 48 13.723 82.080 23.628 1.00100.00 N +ATOM 90 N ARG A 49 13.063 76.676 26.659 1.00 49.35 N +ATOM 91 CA ARG A 49 11.968 76.449 27.599 1.00 48.64 C +ATOM 92 C ARG A 49 12.126 75.127 28.337 1.00 51.85 C +ATOM 93 O ARG A 49 11.808 75.028 29.522 1.00 51.18 O +ATOM 94 CB ARG A 49 10.620 76.518 26.885 1.00 48.75 C +ATOM 95 CG ARG A 49 10.149 77.939 26.624 1.00 56.71 C +ATOM 96 CD ARG A 49 9.029 77.985 25.605 1.00 62.15 C +ATOM 97 NE ARG A 49 8.592 79.355 25.360 1.00 68.70 N +ATOM 98 CZ ARG A 49 7.456 79.682 24.757 1.00 80.26 C +ATOM 99 NH1 ARG A 49 6.637 78.736 24.325 1.00 66.07 N +ATOM 100 NH2 ARG A 49 7.142 80.956 24.583 1.00 67.63 N +ATOM 101 N LEU A 50 12.635 74.117 27.644 1.00 48.40 N +ATOM 102 CA LEU A 50 12.861 72.821 28.268 1.00 48.69 C +ATOM 103 C LEU A 50 14.013 72.938 29.268 1.00 52.53 C +ATOM 104 O LEU A 50 13.963 72.377 30.359 1.00 51.81 O +ATOM 105 CB LEU A 50 13.179 71.757 27.215 1.00 49.04 C +ATOM 106 CG LEU A 50 12.592 70.370 27.498 1.00 54.42 C +ATOM 107 CD1 LEU A 50 12.105 70.286 28.939 1.00 54.70 C +ATOM 108 CD2 LEU A 50 11.455 70.047 26.530 1.00 57.08 C +ATOM 109 N GLU A 51 15.040 73.694 28.892 1.00 49.40 N +ATOM 110 CA GLU A 51 16.193 73.904 29.757 1.00 49.18 C +ATOM 111 C GLU A 51 15.758 74.561 31.062 1.00 51.80 C +ATOM 112 O GLU A 51 16.085 74.085 32.146 1.00 51.94 O +ATOM 113 CB GLU A 51 17.232 74.776 29.053 1.00 50.85 C +ATOM 114 CG GLU A 51 18.654 74.582 29.549 1.00 63.56 C +ATOM 115 CD GLU A 51 19.650 75.466 28.813 1.00 89.90 C +ATOM 116 OE1 GLU A 51 19.296 75.997 27.737 1.00 84.52 O +ATOM 117 OE2 GLU A 51 20.785 75.632 29.311 1.00 87.60 O +ATOM 118 N ALA A 52 15.005 75.650 30.950 1.00 46.94 N +ATOM 119 CA ALA A 52 14.511 76.359 32.122 1.00 46.33 C +ATOM 120 C ALA A 52 13.705 75.437 33.036 1.00 49.24 C +ATOM 121 O ALA A 52 13.917 75.414 34.251 1.00 48.25 O +ATOM 122 CB ALA A 52 13.678 77.548 31.708 1.00 46.98 C +ATOM 123 N PHE A 53 12.787 74.671 32.449 1.00 44.59 N +ATOM 124 CA PHE A 53 11.949 73.761 33.229 1.00 43.79 C +ATOM 125 C PHE A 53 12.768 72.816 34.100 1.00 48.29 C +ATOM 126 O PHE A 53 12.488 72.653 35.282 1.00 47.82 O +ATOM 127 CB PHE A 53 11.012 72.950 32.322 1.00 44.85 C +ATOM 128 CG PHE A 53 10.145 71.977 33.072 1.00 45.46 C +ATOM 129 CD1 PHE A 53 9.059 72.424 33.816 1.00 47.44 C +ATOM 130 CD2 PHE A 53 10.429 70.624 33.063 1.00 47.07 C +ATOM 131 CE1 PHE A 53 8.272 71.539 34.522 1.00 47.67 C +ATOM 132 CE2 PHE A 53 9.640 69.732 33.772 1.00 49.33 C +ATOM 133 CZ PHE A 53 8.567 70.195 34.506 1.00 47.00 C +ATOM 134 N LEU A 54 13.767 72.175 33.506 1.00 45.76 N +ATOM 135 CA LEU A 54 14.609 71.237 34.246 1.00 46.00 C +ATOM 136 C LEU A 54 15.440 71.948 35.319 1.00 50.69 C +ATOM 137 O LEU A 54 15.604 71.443 36.429 1.00 50.23 O +ATOM 138 CB LEU A 54 15.507 70.458 33.295 1.00 46.24 C +ATOM 139 CG LEU A 54 14.768 69.622 32.252 1.00 51.31 C +ATOM 140 CD1 LEU A 54 15.510 69.650 30.923 1.00 51.80 C +ATOM 141 CD2 LEU A 54 14.575 68.194 32.741 1.00 53.52 C +ATOM 142 N THR A 55 15.942 73.131 34.986 1.00 47.76 N +ATOM 143 CA THR A 55 16.720 73.917 35.928 1.00 47.72 C +ATOM 144 C THR A 55 15.887 74.183 37.177 1.00 52.16 C +ATOM 145 O THR A 55 16.390 74.111 38.299 1.00 52.17 O +ATOM 146 CB THR A 55 17.204 75.224 35.290 1.00 56.66 C +ATOM 147 OG1 THR A 55 18.118 74.924 34.229 1.00 57.67 O +ATOM 148 CG2 THR A 55 17.895 76.100 36.320 1.00 55.95 C +ATOM 149 N GLN A 56 14.603 74.473 36.979 1.00 48.15 N +ATOM 150 CA GLN A 56 13.701 74.722 38.096 1.00 47.73 C +ATOM 151 C GLN A 56 13.445 73.423 38.856 1.00 50.55 C +ATOM 152 O GLN A 56 13.544 73.378 40.081 1.00 49.97 O +ATOM 153 CB GLN A 56 12.375 75.311 37.602 1.00 49.23 C +ATOM 154 CG GLN A 56 12.514 76.625 36.843 1.00 68.70 C +ATOM 155 CD GLN A 56 11.214 77.057 36.172 1.00 94.63 C +ATOM 156 OE1 GLN A 56 10.999 76.806 34.984 1.00 91.51 O +ATOM 157 NE2 GLN A 56 10.342 77.714 36.936 1.00 87.31 N +ATOM 158 N LYS A 57 13.126 72.366 38.116 1.00 46.06 N +ATOM 159 CA LYS A 57 12.856 71.061 38.706 1.00 45.44 C +ATOM 160 C LYS A 57 14.008 70.599 39.593 1.00 49.65 C +ATOM 161 O LYS A 57 13.792 70.037 40.662 1.00 49.38 O +ATOM 162 CB LYS A 57 12.607 70.029 37.606 1.00 47.39 C +ATOM 163 CG LYS A 57 12.182 68.667 38.112 1.00 56.98 C +ATOM 164 CD LYS A 57 12.189 67.638 36.991 1.00 63.19 C +ATOM 165 CE LYS A 57 11.658 66.295 37.465 1.00 69.96 C +ATOM 166 NZ LYS A 57 11.122 65.483 36.338 1.00 76.59 N +ATOM 167 N GLN A 58 15.231 70.839 39.133 1.00 46.57 N +ATOM 168 CA GLN A 58 16.434 70.449 39.864 1.00 46.61 C +ATOM 169 C GLN A 58 16.485 71.013 41.289 1.00 50.69 C +ATOM 170 O GLN A 58 17.070 70.400 42.183 1.00 50.54 O +ATOM 171 CB GLN A 58 17.683 70.889 39.093 1.00 48.15 C +ATOM 172 CG GLN A 58 18.688 69.783 38.851 1.00 68.69 C +ATOM 173 CD GLN A 58 18.188 68.753 37.859 1.00 92.49 C +ATOM 174 OE1 GLN A 58 18.974 68.004 37.274 1.00 89.98 O +ATOM 175 NE2 GLN A 58 16.876 68.709 37.663 1.00 84.22 N +ATOM 176 N LYS A 59 15.895 72.188 41.486 1.00 47.04 N +ATOM 177 CA LYS A 59 15.901 72.846 42.795 1.00 46.95 C +ATOM 178 C LYS A 59 14.821 72.329 43.759 1.00 51.12 C +ATOM 179 O LYS A 59 14.833 72.667 44.939 1.00 50.42 O +ATOM 180 CB LYS A 59 15.727 74.367 42.634 1.00 49.43 C +ATOM 181 CG LYS A 59 16.552 75.010 41.528 1.00 64.27 C +ATOM 182 CD LYS A 59 15.948 76.359 41.117 1.00 74.98 C +ATOM 183 CE LYS A 59 17.024 77.399 40.819 1.00 88.32 C +ATOM 184 NZ LYS A 59 16.504 78.799 40.930 1.00 97.98 N +ATOM 185 N VAL A 60 13.883 71.532 43.250 1.00 48.03 N +ATOM 186 CA VAL A 60 12.750 71.051 44.052 1.00 47.97 C +ATOM 187 C VAL A 60 13.007 70.095 45.219 1.00 51.83 C +ATOM 188 O VAL A 60 12.540 70.334 46.331 1.00 51.38 O +ATOM 189 CB VAL A 60 11.574 70.589 43.177 1.00 52.08 C +ATOM 190 CG1 VAL A 60 10.667 69.659 43.966 1.00 51.95 C +ATOM 191 CG2 VAL A 60 10.793 71.790 42.668 1.00 51.86 C +ATOM 192 N GLY A 61 13.691 68.991 44.955 1.00 48.40 N +ATOM 193 CA GLY A 61 13.966 68.013 46.001 1.00 48.43 C +ATOM 194 C GLY A 61 12.787 67.063 46.148 1.00 52.89 C +ATOM 195 O GLY A 61 11.839 67.116 45.362 1.00 53.36 O +ATOM 196 N GLU A 62 12.844 66.197 47.155 1.00 48.59 N +ATOM 197 CA GLU A 62 11.778 65.229 47.385 1.00 48.08 C +ATOM 198 C GLU A 62 10.445 65.899 47.691 1.00 49.85 C +ATOM 199 O GLU A 62 10.367 66.804 48.522 1.00 49.22 O +ATOM 200 CB GLU A 62 12.149 64.252 48.505 1.00 49.67 C +ATOM 201 CG GLU A 62 11.057 63.212 48.788 1.00 63.40 C +ATOM 202 CD GLU A 62 11.406 62.272 49.933 1.00 89.95 C +ATOM 203 OE1 GLU A 62 11.024 61.082 49.863 1.00 87.74 O +ATOM 204 OE2 GLU A 62 12.047 62.726 50.906 1.00 85.10 O +ATOM 205 N LEU A 63 9.396 65.444 47.015 1.00 44.87 N +ATOM 206 CA LEU A 63 8.057 65.995 47.213 1.00 43.43 C +ATOM 207 C LEU A 63 7.400 65.364 48.421 1.00 44.94 C +ATOM 208 O LEU A 63 7.441 64.157 48.590 1.00 44.63 O +ATOM 209 CB LEU A 63 7.193 65.753 45.975 1.00 43.26 C +ATOM 210 CG LEU A 63 7.682 66.412 44.687 1.00 47.48 C +ATOM 211 CD1 LEU A 63 6.744 66.076 43.525 1.00 47.12 C +ATOM 212 CD2 LEU A 63 7.802 67.921 44.880 1.00 49.20 C +ATOM 213 N LYS A 64 6.776 66.189 49.248 1.00 40.27 N +ATOM 214 CA LYS A 64 6.115 65.708 50.451 1.00 39.66 C +ATOM 215 C LYS A 64 4.754 66.350 50.589 1.00 41.49 C +ATOM 216 O LYS A 64 4.570 67.515 50.248 1.00 40.62 O +ATOM 217 CB LYS A 64 6.966 66.018 51.690 1.00 42.61 C +ATOM 218 CG LYS A 64 8.366 65.424 51.642 1.00 57.01 C +ATOM 219 CD LYS A 64 8.948 65.265 53.037 1.00 68.81 C +ATOM 220 CE LYS A 64 9.909 64.084 53.105 1.00 82.72 C +ATOM 221 NZ LYS A 64 9.263 62.810 52.673 1.00 92.03 N +ATOM 222 N ASP A 65 3.802 65.584 51.101 1.00 37.28 N +ATOM 223 CA ASP A 65 2.445 66.062 51.262 1.00 36.99 C +ATOM 224 C ASP A 65 2.320 67.434 51.918 1.00 41.54 C +ATOM 225 O ASP A 65 1.595 68.292 51.431 1.00 40.68 O +ATOM 226 CB ASP A 65 1.599 65.035 52.017 1.00 38.23 C +ATOM 227 CG ASP A 65 0.164 65.495 52.210 1.00 45.74 C +ATOM 228 OD1 ASP A 65 -0.545 65.677 51.196 1.00 45.70 O +ATOM 229 OD2 ASP A 65 -0.240 65.716 53.369 1.00 46.27 O +ATOM 230 N ASP A 66 3.003 67.623 53.046 1.00 39.11 N +ATOM 231 CA ASP A 66 2.908 68.873 53.807 1.00 38.80 C +ATOM 232 C ASP A 66 3.469 70.105 53.134 1.00 41.36 C +ATOM 233 O ASP A 66 3.264 71.218 53.613 1.00 40.66 O +ATOM 234 CB ASP A 66 3.558 68.713 55.177 1.00 41.31 C +ATOM 235 CG ASP A 66 2.700 67.934 56.133 1.00 52.25 C +ATOM 236 OD1 ASP A 66 1.618 67.479 55.712 1.00 51.88 O +ATOM 237 OD2 ASP A 66 3.100 67.785 57.307 1.00 61.00 O +ATOM 238 N ASP A 67 4.210 69.920 52.054 1.00 37.28 N +ATOM 239 CA ASP A 67 4.818 71.051 51.376 1.00 37.01 C +ATOM 240 C ASP A 67 3.901 71.704 50.350 1.00 40.33 C +ATOM 241 O ASP A 67 4.273 72.687 49.715 1.00 39.78 O +ATOM 242 CB ASP A 67 6.139 70.641 50.733 1.00 39.14 C +ATOM 243 CG ASP A 67 7.236 70.420 51.761 1.00 49.94 C +ATOM 244 OD1 ASP A 67 7.130 71.000 52.866 1.00 50.82 O +ATOM 245 OD2 ASP A 67 8.191 69.667 51.473 1.00 53.20 O +ATOM 246 N PHE A 68 2.691 71.166 50.215 1.00 36.85 N +ATOM 247 CA PHE A 68 1.732 71.668 49.242 1.00 36.20 C +ATOM 248 C PHE A 68 0.574 72.449 49.848 1.00 40.87 C +ATOM 249 O PHE A 68 0.046 72.100 50.905 1.00 39.60 O +ATOM 250 CB PHE A 68 1.207 70.523 48.378 1.00 37.19 C +ATOM 251 CG PHE A 68 2.237 69.948 47.460 1.00 37.75 C +ATOM 252 CD1 PHE A 68 2.549 70.579 46.267 1.00 39.75 C +ATOM 253 CD2 PHE A 68 2.926 68.797 47.803 1.00 39.16 C +ATOM 254 CE1 PHE A 68 3.513 70.056 45.420 1.00 40.26 C +ATOM 255 CE2 PHE A 68 3.894 68.275 46.959 1.00 41.32 C +ATOM 256 CZ PHE A 68 4.180 68.905 45.768 1.00 39.17 C +ATOM 257 N GLU A 69 0.182 73.500 49.142 1.00 38.71 N +ATOM 258 CA GLU A 69 -0.909 74.372 49.539 1.00 39.08 C +ATOM 259 C GLU A 69 -1.916 74.413 48.384 1.00 42.40 C +ATOM 260 O GLU A 69 -1.552 74.743 47.259 1.00 40.29 O +ATOM 261 CB GLU A 69 -0.357 75.779 49.739 1.00 40.93 C +ATOM 262 CG GLU A 69 -0.896 76.509 50.925 1.00 55.51 C +ATOM 263 CD GLU A 69 -0.448 77.958 50.944 1.00 84.44 C +ATOM 264 OE1 GLU A 69 0.768 78.211 50.801 1.00 78.20 O +ATOM 265 OE2 GLU A 69 -1.317 78.844 51.063 1.00 85.41 O +ATOM 266 N LYS A 70 -3.175 74.093 48.668 1.00 39.54 N +ATOM 267 CA LYS A 70 -4.202 74.105 47.631 1.00 39.81 C +ATOM 268 C LYS A 70 -4.568 75.525 47.198 1.00 44.20 C +ATOM 269 O LYS A 70 -4.758 76.416 48.035 1.00 43.93 O +ATOM 270 CB LYS A 70 -5.450 73.347 48.087 1.00 42.33 C +ATOM 271 CG LYS A 70 -6.595 73.385 47.077 1.00 58.60 C +ATOM 272 CD LYS A 70 -7.768 72.521 47.528 1.00 69.54 C +ATOM 273 CE LYS A 70 -9.027 72.835 46.731 1.00 80.14 C +ATOM 274 NZ LYS A 70 -10.172 71.954 47.111 1.00 87.44 N +ATOM 275 N ILE A 71 -4.647 75.734 45.887 1.00 40.53 N +ATOM 276 CA ILE A 71 -5.013 77.035 45.338 1.00 40.11 C +ATOM 277 C ILE A 71 -6.433 76.958 44.793 1.00 45.71 C +ATOM 278 O ILE A 71 -7.241 77.849 45.020 1.00 45.62 O +ATOM 279 CB ILE A 71 -4.027 77.495 44.257 1.00 42.75 C +ATOM 280 CG1 ILE A 71 -2.654 77.761 44.863 1.00 42.69 C +ATOM 281 CG2 ILE A 71 -4.543 78.752 43.560 1.00 43.16 C +ATOM 282 CD1 ILE A 71 -1.637 78.211 43.863 1.00 43.93 C +ATOM 283 N SER A 72 -6.733 75.870 44.089 1.00 43.17 N +ATOM 284 CA SER A 72 -8.063 75.661 43.519 1.00 43.42 C +ATOM 285 C SER A 72 -8.133 74.322 42.796 1.00 48.68 C +ATOM 286 O SER A 72 -7.105 73.689 42.543 1.00 48.14 O +ATOM 287 CB SER A 72 -8.416 76.793 42.546 1.00 47.02 C +ATOM 288 OG SER A 72 -7.524 76.810 41.439 1.00 54.53 O +ATOM 289 N GLU A 73 -9.348 73.892 42.467 1.00 46.30 N +ATOM 290 CA GLU A 73 -9.555 72.636 41.753 1.00 46.79 C +ATOM 291 C GLU A 73 -9.499 72.893 40.245 1.00 51.26 C +ATOM 292 O GLU A 73 -10.126 73.827 39.746 1.00 50.86 O +ATOM 293 CB GLU A 73 -10.908 72.029 42.117 1.00 48.27 C +ATOM 294 CG GLU A 73 -10.962 71.406 43.484 1.00 60.57 C +ATOM 295 CD GLU A 73 -12.205 70.565 43.683 1.00 82.77 C +ATOM 296 OE1 GLU A 73 -12.841 70.684 44.752 1.00 79.88 O +ATOM 297 OE2 GLU A 73 -12.551 69.791 42.763 1.00 74.95 O +ATOM 298 N LEU A 74 -8.742 72.067 39.531 1.00 48.22 N +ATOM 299 CA LEU A 74 -8.591 72.218 38.084 1.00 48.64 C +ATOM 300 C LEU A 74 -9.608 71.393 37.309 1.00 56.55 C +ATOM 301 O LEU A 74 -10.072 71.800 36.247 1.00 56.37 O +ATOM 302 CB LEU A 74 -7.182 71.820 37.652 1.00 48.29 C +ATOM 303 CG LEU A 74 -6.059 72.778 38.031 1.00 52.46 C +ATOM 304 CD1 LEU A 74 -4.705 72.229 37.592 1.00 52.15 C +ATOM 305 CD2 LEU A 74 -6.310 74.142 37.436 1.00 54.74 C +ATOM 306 N GLY A 75 -9.927 70.219 37.831 1.00 56.21 N +ATOM 307 CA GLY A 75 -10.870 69.331 37.178 1.00 57.71 C +ATOM 308 C GLY A 75 -10.914 67.997 37.896 1.00 65.27 C +ATOM 309 O GLY A 75 -10.082 67.719 38.763 1.00 65.09 O +ATOM 310 N ALA A 76 -11.889 67.171 37.534 1.00 63.99 N +ATOM 311 CA ALA A 76 -12.046 65.872 38.164 1.00 64.68 C +ATOM 312 C ALA A 76 -12.110 64.719 37.169 1.00 70.40 C +ATOM 313 O ALA A 76 -11.850 64.883 35.977 1.00 70.21 O +ATOM 314 CB ALA A 76 -13.271 65.866 39.059 1.00 65.46 C +ATOM 315 N GLY A 77 -12.466 63.552 37.688 1.00 68.03 N +ATOM 316 CA GLY A 77 -12.583 62.334 36.906 1.00 68.31 C +ATOM 317 C GLY A 77 -12.865 61.230 37.908 1.00 73.18 C +ATOM 318 O GLY A 77 -12.773 61.453 39.114 1.00 73.15 O +ATOM 319 N ASN A 78 -13.225 60.046 37.429 1.00 69.94 N +ATOM 320 CA ASN A 78 -13.512 58.946 38.340 1.00 69.66 C +ATOM 321 C ASN A 78 -12.277 58.109 38.624 1.00 72.16 C +ATOM 322 O ASN A 78 -12.364 56.904 38.875 1.00 72.01 O +ATOM 323 CB ASN A 78 -14.672 58.088 37.844 1.00 72.06 C +ATOM 324 CG ASN A 78 -15.865 58.129 38.785 1.00101.70 C +ATOM 325 OD1 ASN A 78 -17.015 58.025 38.357 1.00 97.67 O +ATOM 326 ND2 ASN A 78 -15.593 58.306 40.076 1.00 94.76 N +ATOM 327 N GLY A 79 -11.125 58.769 38.594 1.00 67.10 N +ATOM 328 CA GLY A 79 -9.853 58.125 38.875 1.00 65.88 C +ATOM 329 C GLY A 79 -9.133 58.947 39.935 1.00 66.85 C +ATOM 330 O GLY A 79 -8.376 58.413 40.750 1.00 66.94 O +ATOM 331 N GLY A 80 -9.396 60.251 39.930 1.00 60.25 N +ATOM 332 CA GLY A 80 -8.783 61.161 40.888 1.00 58.55 C +ATOM 333 C GLY A 80 -9.111 62.617 40.561 1.00 58.40 C +ATOM 334 O GLY A 80 -9.649 62.922 39.494 1.00 58.26 O +ATOM 335 N VAL A 81 -8.780 63.508 41.489 1.00 50.94 N +ATOM 336 CA VAL A 81 -9.030 64.931 41.326 1.00 48.67 C +ATOM 337 C VAL A 81 -7.719 65.651 41.054 1.00 46.97 C +ATOM 338 O VAL A 81 -6.648 65.151 41.400 1.00 46.17 O +ATOM 339 CB VAL A 81 -9.728 65.505 42.571 1.00 53.15 C +ATOM 340 CG1 VAL A 81 -10.196 66.936 42.321 1.00 53.12 C +ATOM 341 CG2 VAL A 81 -10.894 64.611 42.979 1.00 53.09 C +ATOM 342 N VAL A 82 -7.802 66.818 40.423 1.00 39.50 N +ATOM 343 CA VAL A 82 -6.612 67.596 40.117 1.00 37.37 C +ATOM 344 C VAL A 82 -6.726 69.010 40.672 1.00 40.05 C +ATOM 345 O VAL A 82 -7.688 69.731 40.382 1.00 38.81 O +ATOM 346 CB VAL A 82 -6.294 67.604 38.595 1.00 40.10 C +ATOM 347 CG1 VAL A 82 -4.938 68.252 38.339 1.00 39.45 C +ATOM 348 CG2 VAL A 82 -6.318 66.194 38.043 1.00 39.86 C +ATOM 349 N PHE A 83 -5.734 69.403 41.467 1.00 35.69 N +ATOM 350 CA PHE A 83 -5.713 70.727 42.074 1.00 35.07 C +ATOM 351 C PHE A 83 -4.540 71.540 41.586 1.00 35.76 C +ATOM 352 O PHE A 83 -3.465 71.003 41.315 1.00 34.57 O +ATOM 353 CB PHE A 83 -5.586 70.605 43.610 1.00 37.79 C +ATOM 354 CG PHE A 83 -6.765 69.967 44.268 1.00 40.65 C +ATOM 355 CD1 PHE A 83 -6.846 68.594 44.386 1.00 44.98 C +ATOM 356 CD2 PHE A 83 -7.792 70.742 44.780 1.00 44.20 C +ATOM 357 CE1 PHE A 83 -7.941 67.999 44.998 1.00 46.48 C +ATOM 358 CE2 PHE A 83 -8.887 70.155 45.394 1.00 47.60 C +ATOM 359 CZ PHE A 83 -8.962 68.785 45.500 1.00 45.78 C +ATOM 360 N LYS A 84 -4.729 72.847 41.532 1.00 31.64 N +ATOM 361 CA LYS A 84 -3.653 73.764 41.212 1.00 31.39 C +ATOM 362 C LYS A 84 -3.067 74.028 42.593 1.00 34.90 C +ATOM 363 O LYS A 84 -3.793 74.371 43.507 1.00 33.67 O +ATOM 364 CB LYS A 84 -4.218 75.062 40.633 1.00 33.33 C +ATOM 365 CG LYS A 84 -3.166 76.073 40.211 1.00 39.24 C +ATOM 366 CD LYS A 84 -3.814 77.404 39.867 1.00 46.34 C +ATOM 367 CE LYS A 84 -2.792 78.410 39.377 1.00 57.73 C +ATOM 368 NZ LYS A 84 -3.414 79.746 39.131 1.00 66.49 N +ATOM 369 N VAL A 85 -1.779 73.777 42.767 1.00 32.18 N +ATOM 370 CA VAL A 85 -1.180 73.927 44.084 1.00 32.19 C +ATOM 371 C VAL A 85 0.099 74.722 44.059 1.00 37.69 C +ATOM 372 O VAL A 85 0.667 75.006 43.000 1.00 36.44 O +ATOM 373 CB VAL A 85 -0.937 72.555 44.761 1.00 35.50 C +ATOM 374 CG1 VAL A 85 -2.229 71.768 44.880 1.00 35.16 C +ATOM 375 CG2 VAL A 85 0.130 71.761 44.002 1.00 35.26 C +ATOM 376 N SER A 86 0.561 75.068 45.248 1.00 35.49 N +ATOM 377 CA SER A 86 1.807 75.778 45.396 1.00 35.44 C +ATOM 378 C SER A 86 2.729 74.909 46.236 1.00 38.61 C +ATOM 379 O SER A 86 2.352 74.465 47.320 1.00 38.27 O +ATOM 380 CB SER A 86 1.573 77.116 46.108 1.00 39.67 C +ATOM 381 OG SER A 86 2.796 77.681 46.529 1.00 50.69 O +ATOM 382 N HIS A 87 3.915 74.629 45.717 1.00 35.49 N +ATOM 383 CA HIS A 87 4.909 73.880 46.468 1.00 35.87 C +ATOM 384 C HIS A 87 5.630 74.940 47.294 1.00 40.24 C +ATOM 385 O HIS A 87 6.508 75.650 46.792 1.00 39.13 O +ATOM 386 CB HIS A 87 5.899 73.193 45.537 1.00 36.73 C +ATOM 387 CG HIS A 87 6.934 72.389 46.258 1.00 40.13 C +ATOM 388 ND1 HIS A 87 8.260 72.766 46.319 1.00 41.80 N +ATOM 389 CD2 HIS A 87 6.833 71.246 46.979 1.00 41.58 C +ATOM 390 CE1 HIS A 87 8.933 71.878 47.031 1.00 41.19 C +ATOM 391 NE2 HIS A 87 8.090 70.947 47.442 1.00 41.37 N +ATOM 392 N LYS A 88 5.190 75.085 48.538 1.00 37.93 N +ATOM 393 CA LYS A 88 5.689 76.112 49.456 1.00 37.63 C +ATOM 394 C LYS A 88 7.173 76.420 49.438 1.00 41.60 C +ATOM 395 O LYS A 88 7.564 77.573 49.302 1.00 41.65 O +ATOM 396 CB LYS A 88 5.213 75.837 50.876 1.00 39.38 C +ATOM 397 CG LYS A 88 3.735 76.145 51.094 1.00 48.27 C +ATOM 398 CD LYS A 88 3.007 74.951 51.669 1.00 57.41 C +ATOM 399 CE LYS A 88 2.168 75.339 52.868 1.00 64.41 C +ATOM 400 NZ LYS A 88 2.144 74.252 53.884 1.00 70.95 N +ATOM 401 N PRO A 89 7.997 75.402 49.620 1.00 38.49 N +ATOM 402 CA PRO A 89 9.444 75.600 49.666 1.00 38.37 C +ATOM 403 C PRO A 89 10.008 76.247 48.406 1.00 42.57 C +ATOM 404 O PRO A 89 10.673 77.284 48.474 1.00 42.27 O +ATOM 405 CB PRO A 89 9.985 74.176 49.825 1.00 40.04 C +ATOM 406 CG PRO A 89 8.877 73.434 50.493 1.00 44.59 C +ATOM 407 CD PRO A 89 7.618 74.010 49.913 1.00 40.21 C +ATOM 408 N SER A 90 9.761 75.626 47.262 1.00 38.98 N +ATOM 409 CA SER A 90 10.280 76.133 45.998 1.00 39.05 C +ATOM 410 C SER A 90 9.509 77.350 45.488 1.00 43.72 C +ATOM 411 O SER A 90 10.039 78.152 44.731 1.00 43.13 O +ATOM 412 CB SER A 90 10.301 75.024 44.939 1.00 42.03 C +ATOM 413 OG SER A 90 8.990 74.690 44.526 1.00 47.57 O +ATOM 414 N GLY A 91 8.263 77.489 45.926 1.00 41.23 N +ATOM 415 CA GLY A 91 7.421 78.604 45.492 1.00 41.32 C +ATOM 416 C GLY A 91 6.824 78.291 44.112 1.00 45.20 C +ATOM 417 O GLY A 91 6.107 79.108 43.528 1.00 44.46 O +ATOM 418 N LEU A 92 7.125 77.101 43.604 1.00 41.81 N +ATOM 419 CA LEU A 92 6.638 76.677 42.292 1.00 41.61 C +ATOM 420 C LEU A 92 5.175 76.299 42.313 1.00 44.57 C +ATOM 421 O LEU A 92 4.721 75.599 43.206 1.00 44.29 O +ATOM 422 CB LEU A 92 7.443 75.474 41.791 1.00 41.84 C +ATOM 423 CG LEU A 92 8.794 75.751 41.147 1.00 47.01 C +ATOM 424 CD1 LEU A 92 9.425 74.443 40.686 1.00 47.58 C +ATOM 425 CD2 LEU A 92 8.639 76.715 39.983 1.00 49.78 C +ATOM 426 N VAL A 93 4.442 76.729 41.299 1.00 40.97 N +ATOM 427 CA VAL A 93 3.045 76.355 41.184 1.00 40.30 C +ATOM 428 C VAL A 93 3.004 75.079 40.355 1.00 41.07 C +ATOM 429 O VAL A 93 3.768 74.924 39.405 1.00 40.79 O +ATOM 430 CB VAL A 93 2.200 77.467 40.551 1.00 44.62 C +ATOM 431 CG1 VAL A 93 0.812 76.942 40.206 1.00 44.46 C +ATOM 432 CG2 VAL A 93 2.102 78.646 41.487 1.00 44.56 C +ATOM 433 N MET A 94 2.161 74.141 40.760 1.00 35.49 N +ATOM 434 CA MET A 94 2.037 72.878 40.061 1.00 33.98 C +ATOM 435 C MET A 94 0.592 72.483 39.981 1.00 37.37 C +ATOM 436 O MET A 94 -0.274 73.128 40.571 1.00 36.82 O +ATOM 437 CB MET A 94 2.796 71.762 40.806 1.00 35.59 C +ATOM 438 CG MET A 94 4.160 72.165 41.348 1.00 38.27 C +ATOM 439 SD MET A 94 5.054 70.761 42.054 1.00 41.08 S +ATOM 440 CE MET A 94 6.753 71.450 42.135 1.00 37.72 C +ATOM 441 N ALA A 95 0.344 71.396 39.258 1.00 33.91 N +ATOM 442 CA ALA A 95 -0.970 70.802 39.158 1.00 33.18 C +ATOM 443 C ALA A 95 -0.773 69.467 39.845 1.00 36.26 C +ATOM 444 O ALA A 95 0.141 68.722 39.499 1.00 36.41 O +ATOM 445 CB ALA A 95 -1.363 70.602 37.685 1.00 33.95 C +ATOM 446 N ARG A 96 -1.550 69.212 40.890 1.00 32.22 N +ATOM 447 CA ARG A 96 -1.400 67.997 41.663 1.00 31.93 C +ATOM 448 C ARG A 96 -2.604 67.084 41.491 1.00 36.65 C +ATOM 449 O ARG A 96 -3.722 67.451 41.834 1.00 35.15 O +ATOM 450 CB ARG A 96 -1.198 68.348 43.156 1.00 31.32 C +ATOM 451 CG ARG A 96 -1.102 67.147 44.098 1.00 36.26 C +ATOM 452 CD ARG A 96 -0.940 67.602 45.562 1.00 36.68 C +ATOM 453 NE ARG A 96 -0.779 66.478 46.490 1.00 41.11 N +ATOM 454 CZ ARG A 96 -0.873 66.580 47.819 1.00 53.68 C +ATOM 455 NH1 ARG A 96 -1.130 67.754 48.384 1.00 37.76 N +ATOM 456 NH2 ARG A 96 -0.716 65.507 48.586 1.00 38.68 N +ATOM 457 N LYS A 97 -2.368 65.898 40.938 1.00 35.11 N +ATOM 458 CA LYS A 97 -3.429 64.915 40.741 1.00 35.92 C +ATOM 459 C LYS A 97 -3.398 63.895 41.882 1.00 42.13 C +ATOM 460 O LYS A 97 -2.367 63.285 42.144 1.00 41.51 O +ATOM 461 CB LYS A 97 -3.251 64.198 39.401 1.00 37.93 C +ATOM 462 CG LYS A 97 -4.111 62.952 39.249 1.00 48.98 C +ATOM 463 CD LYS A 97 -3.864 62.268 37.903 1.00 57.52 C +ATOM 464 CE LYS A 97 -5.139 62.180 37.087 1.00 65.36 C +ATOM 465 NZ LYS A 97 -4.900 61.574 35.748 1.00 71.99 N +ATOM 466 N LEU A 98 -4.532 63.722 42.555 1.00 41.40 N +ATOM 467 CA LEU A 98 -4.626 62.790 43.676 1.00 42.78 C +ATOM 468 C LEU A 98 -5.487 61.584 43.333 1.00 49.91 C +ATOM 469 O LEU A 98 -6.656 61.725 42.978 1.00 49.19 O +ATOM 470 CB LEU A 98 -5.195 63.493 44.912 1.00 42.99 C +ATOM 471 CG LEU A 98 -4.625 64.874 45.246 1.00 48.55 C +ATOM 472 CD1 LEU A 98 -5.742 65.912 45.339 1.00 49.34 C +ATOM 473 CD2 LEU A 98 -3.840 64.818 46.542 1.00 51.36 C +ATOM 474 N ILE A 99 -4.904 60.397 43.454 1.00 49.56 N +ATOM 475 CA ILE A 99 -5.619 59.159 43.173 1.00 50.74 C +ATOM 476 C ILE A 99 -5.795 58.363 44.467 1.00 58.28 C +ATOM 477 O ILE A 99 -4.855 57.721 44.938 1.00 57.87 O +ATOM 478 CB ILE A 99 -4.893 58.325 42.099 1.00 53.69 C +ATOM 479 CG1 ILE A 99 -4.561 59.189 40.884 1.00 53.79 C +ATOM 480 CG2 ILE A 99 -5.737 57.118 41.691 1.00 54.70 C +ATOM 481 CD1 ILE A 99 -3.425 58.646 40.049 1.00 59.23 C +ATOM 482 N HIS A 100 -6.990 58.424 45.049 1.00 57.94 N +ATOM 483 CA HIS A 100 -7.258 57.703 46.289 1.00 59.46 C +ATOM 484 C HIS A 100 -7.181 56.204 46.072 1.00 65.20 C +ATOM 485 O HIS A 100 -7.948 55.633 45.297 1.00 64.70 O +ATOM 486 CB HIS A 100 -8.614 58.084 46.883 1.00 60.90 C +ATOM 487 CG HIS A 100 -8.843 57.530 48.256 1.00 64.92 C +ATOM 488 ND1 HIS A 100 -8.476 58.205 49.403 1.00 67.06 N +ATOM 489 CD2 HIS A 100 -9.369 56.351 48.667 1.00 67.15 C +ATOM 490 CE1 HIS A 100 -8.783 57.473 50.460 1.00 66.65 C +ATOM 491 NE2 HIS A 100 -9.326 56.343 50.041 1.00 67.00 N +ATOM 492 N LEU A 101 -6.236 55.571 46.750 1.00 63.24 N +ATOM 493 CA LEU A 101 -6.042 54.141 46.622 1.00 63.68 C +ATOM 494 C LEU A 101 -5.699 53.511 47.960 1.00 69.10 C +ATOM 495 O LEU A 101 -4.799 53.971 48.667 1.00 68.65 O +ATOM 496 CB LEU A 101 -4.938 53.847 45.607 1.00 63.80 C +ATOM 497 CG LEU A 101 -5.390 53.628 44.163 1.00 68.53 C +ATOM 498 CD1 LEU A 101 -4.249 53.898 43.196 1.00 68.68 C +ATOM 499 CD2 LEU A 101 -5.921 52.218 43.985 1.00 71.28 C +ATOM 500 N GLU A 102 -6.427 52.457 48.306 1.00 66.79 N +ATOM 501 CA GLU A 102 -6.191 51.733 49.545 1.00 67.06 C +ATOM 502 C GLU A 102 -5.425 50.472 49.198 1.00 71.70 C +ATOM 503 O GLU A 102 -6.016 49.459 48.830 1.00 71.38 O +ATOM 504 CB GLU A 102 -7.519 51.375 50.215 1.00 68.51 C +ATOM 505 CG GLU A 102 -8.441 52.564 50.436 1.00 79.86 C +ATOM 506 CD GLU A 102 -8.072 53.367 51.668 1.00101.32 C +ATOM 507 OE1 GLU A 102 -8.104 52.798 52.781 1.00 97.85 O +ATOM 508 OE2 GLU A 102 -7.748 54.563 51.522 1.00 95.37 O +ATOM 509 N ILE A 103 -4.104 50.548 49.271 1.00 68.72 N +ATOM 510 CA ILE A 103 -3.266 49.413 48.922 1.00 68.80 C +ATOM 511 C ILE A 103 -2.067 49.274 49.848 1.00 72.64 C +ATOM 512 O ILE A 103 -1.652 50.235 50.495 1.00 72.36 O +ATOM 513 CB ILE A 103 -2.835 49.481 47.448 1.00 72.13 C +ATOM 514 CG1 ILE A 103 -3.832 50.321 46.648 1.00 72.63 C +ATOM 515 CG2 ILE A 103 -2.722 48.086 46.856 1.00 73.14 C +ATOM 516 CD1 ILE A 103 -3.602 50.284 45.154 1.00 80.50 C +ATOM 517 N LYS A 104 -1.515 48.066 49.904 1.00 69.04 N +ATOM 518 CA LYS A 104 -0.361 47.777 50.750 1.00 68.64 C +ATOM 519 C LYS A 104 0.811 48.694 50.420 1.00 72.12 C +ATOM 520 O LYS A 104 0.842 49.318 49.362 1.00 71.98 O +ATOM 521 CB LYS A 104 0.061 46.315 50.584 1.00 71.03 C +ATOM 522 CG LYS A 104 -0.542 45.634 49.364 1.00 83.53 C +ATOM 523 CD LYS A 104 -0.638 44.129 49.556 1.00 92.28 C +ATOM 524 CE LYS A 104 -2.084 43.664 49.602 1.00100.63 C +ATOM 525 NZ LYS A 104 -2.196 42.187 49.454 1.00108.01 N +ATOM 526 N PRO A 105 1.776 48.763 51.327 1.00 68.13 N +ATOM 527 CA PRO A 105 2.955 49.602 51.132 1.00 67.89 C +ATOM 528 C PRO A 105 3.840 49.060 50.014 1.00 71.83 C +ATOM 529 O PRO A 105 4.686 49.774 49.477 1.00 71.56 O +ATOM 530 CB PRO A 105 3.685 49.497 52.477 1.00 69.55 C +ATOM 531 CG PRO A 105 2.621 49.178 53.455 1.00 73.91 C +ATOM 532 CD PRO A 105 1.642 48.312 52.723 1.00 69.51 C +ATOM 533 N ALA A 106 3.639 47.792 49.669 1.00 68.33 N +ATOM 534 CA ALA A 106 4.419 47.153 48.613 1.00 68.02 C +ATOM 535 C ALA A 106 3.982 47.647 47.241 1.00 71.22 C +ATOM 536 O ALA A 106 4.802 48.104 46.445 1.00 70.77 O +ATOM 537 CB ALA A 106 4.289 45.639 48.700 1.00 68.77 C +ATOM 538 N ILE A 107 2.684 47.555 46.975 1.00 67.31 N +ATOM 539 CA ILE A 107 2.123 47.986 45.698 1.00 66.99 C +ATOM 540 C ILE A 107 2.430 49.453 45.396 1.00 69.65 C +ATOM 541 O ILE A 107 3.029 49.770 44.371 1.00 69.31 O +ATOM 542 CB ILE A 107 0.611 47.697 45.621 1.00 70.25 C +ATOM 543 CG1 ILE A 107 0.334 46.225 45.933 1.00 70.79 C +ATOM 544 CG2 ILE A 107 0.063 48.071 44.250 1.00 71.12 C +ATOM 545 CD1 ILE A 107 -1.119 45.815 45.741 1.00 77.95 C +ATOM 546 N ARG A 108 2.017 50.341 46.296 1.00 65.14 N +ATOM 547 CA ARG A 108 2.242 51.772 46.119 1.00 64.37 C +ATOM 548 C ARG A 108 3.709 52.093 45.832 1.00 66.61 C +ATOM 549 O ARG A 108 4.017 52.886 44.947 1.00 65.90 O +ATOM 550 CB ARG A 108 1.753 52.550 47.340 1.00 64.48 C +ATOM 551 CG ARG A 108 2.788 52.706 48.433 1.00 74.29 C +ATOM 552 CD ARG A 108 2.215 53.444 49.630 1.00 83.97 C +ATOM 553 NE ARG A 108 1.125 52.702 50.257 1.00 92.32 N +ATOM 554 CZ ARG A 108 0.990 52.537 51.569 1.00106.80 C +ATOM 555 NH1 ARG A 108 1.879 53.065 52.402 1.00 93.90 N +ATOM 556 NH2 ARG A 108 -0.034 51.845 52.049 1.00 93.47 N +ATOM 557 N ASN A 109 4.609 51.467 46.581 1.00 62.41 N +ATOM 558 CA ASN A 109 6.039 51.699 46.402 1.00 61.87 C +ATOM 559 C ASN A 109 6.503 51.271 45.015 1.00 64.90 C +ATOM 560 O ASN A 109 7.474 51.812 44.479 1.00 64.30 O +ATOM 561 CB ASN A 109 6.845 50.989 47.489 1.00 62.65 C +ATOM 562 CG ASN A 109 6.677 51.636 48.851 1.00 83.53 C +ATOM 563 OD1 ASN A 109 6.334 52.811 48.953 1.00 78.82 O +ATOM 564 ND2 ASN A 109 6.903 50.865 49.904 1.00 75.53 N +ATOM 565 N GLN A 110 5.799 50.303 44.434 1.00 60.69 N +ATOM 566 CA GLN A 110 6.120 49.829 43.094 1.00 60.17 C +ATOM 567 C GLN A 110 5.595 50.855 42.095 1.00 63.00 C +ATOM 568 O GLN A 110 6.279 51.217 41.133 1.00 62.91 O +ATOM 569 CB GLN A 110 5.475 48.464 42.835 1.00 61.52 C +ATOM 570 CG GLN A 110 6.145 47.658 41.724 1.00 77.44 C +ATOM 571 CD GLN A 110 5.167 46.765 40.973 1.00 98.25 C +ATOM 572 OE1 GLN A 110 4.023 46.584 41.394 1.00 94.05 O +ATOM 573 NE2 GLN A 110 5.616 46.203 39.853 1.00 90.18 N +ATOM 574 N ILE A 111 4.384 51.339 42.347 1.00 57.91 N +ATOM 575 CA ILE A 111 3.773 52.348 41.497 1.00 56.74 C +ATOM 576 C ILE A 111 4.698 53.560 41.421 1.00 58.91 C +ATOM 577 O ILE A 111 5.090 53.984 40.336 1.00 58.35 O +ATOM 578 CB ILE A 111 2.374 52.734 42.006 1.00 59.52 C +ATOM 579 CG1 ILE A 111 1.415 51.545 41.872 1.00 59.61 C +ATOM 580 CG2 ILE A 111 1.847 53.951 41.256 1.00 59.89 C +ATOM 581 CD1 ILE A 111 0.087 51.741 42.574 1.00 64.30 C +ATOM 582 N ILE A 112 5.066 54.093 42.583 1.00 54.31 N +ATOM 583 CA ILE A 112 5.968 55.242 42.648 1.00 53.90 C +ATOM 584 C ILE A 112 7.226 54.982 41.830 1.00 57.75 C +ATOM 585 O ILE A 112 7.764 55.887 41.187 1.00 57.51 O +ATOM 586 CB ILE A 112 6.316 55.605 44.096 1.00 56.66 C +ATOM 587 CG1 ILE A 112 5.046 55.919 44.883 1.00 56.84 C +ATOM 588 CG2 ILE A 112 7.269 56.785 44.129 1.00 57.07 C +ATOM 589 CD1 ILE A 112 3.981 56.595 44.063 1.00 64.22 C +ATOM 590 N ARG A 113 7.681 53.733 41.850 1.00 54.13 N +ATOM 591 CA ARG A 113 8.867 53.333 41.106 1.00 53.86 C +ATOM 592 C ARG A 113 8.610 53.419 39.604 1.00 56.22 C +ATOM 593 O ARG A 113 9.446 53.914 38.851 1.00 56.11 O +ATOM 594 CB ARG A 113 9.262 51.899 41.475 1.00 55.55 C +ATOM 595 CG ARG A 113 10.690 51.748 41.979 1.00 68.78 C +ATOM 596 CD ARG A 113 10.944 50.335 42.496 1.00 79.61 C +ATOM 597 NE ARG A 113 10.901 50.273 43.954 1.00 90.12 N +ATOM 598 CZ ARG A 113 9.896 49.754 44.652 1.00105.56 C +ATOM 599 NH1 ARG A 113 8.845 49.244 44.025 1.00 93.38 N +ATOM 600 NH2 ARG A 113 9.942 49.745 45.978 1.00 93.16 N +ATOM 601 N GLU A 114 7.447 52.933 39.179 1.00 51.11 N +ATOM 602 CA GLU A 114 7.079 52.930 37.763 1.00 50.28 C +ATOM 603 C GLU A 114 6.918 54.338 37.177 1.00 52.11 C +ATOM 604 O GLU A 114 7.310 54.594 36.035 1.00 51.56 O +ATOM 605 CB GLU A 114 5.801 52.112 37.545 1.00 51.71 C +ATOM 606 CG GLU A 114 5.714 50.860 38.405 1.00 62.73 C +ATOM 607 CD GLU A 114 5.020 49.709 37.699 1.00 82.71 C +ATOM 608 OE1 GLU A 114 3.798 49.811 37.449 1.00 76.13 O +ATOM 609 OE2 GLU A 114 5.693 48.695 37.409 1.00 75.75 O +ATOM 610 N LEU A 115 6.341 55.245 37.960 1.00 46.95 N +ATOM 611 CA LEU A 115 6.123 56.618 37.509 1.00 45.97 C +ATOM 612 C LEU A 115 7.426 57.402 37.376 1.00 48.69 C +ATOM 613 O LEU A 115 7.464 58.463 36.744 1.00 47.91 O +ATOM 614 CB LEU A 115 5.158 57.347 38.445 1.00 45.85 C +ATOM 615 CG LEU A 115 3.850 56.616 38.723 1.00 50.21 C +ATOM 616 CD1 LEU A 115 3.221 57.113 40.014 1.00 50.12 C +ATOM 617 CD2 LEU A 115 2.891 56.779 37.548 1.00 52.95 C +ATOM 618 N GLN A 116 8.494 56.887 37.977 1.00 44.48 N +ATOM 619 CA GLN A 116 9.791 57.552 37.903 1.00 43.83 C +ATOM 620 C GLN A 116 10.221 57.670 36.445 1.00 46.98 C +ATOM 621 O GLN A 116 11.017 58.538 36.083 1.00 46.27 O +ATOM 622 CB GLN A 116 10.832 56.796 38.726 1.00 45.16 C +ATOM 623 CG GLN A 116 10.516 56.764 40.220 1.00 47.60 C +ATOM 624 CD GLN A 116 10.424 58.147 40.819 1.00 61.48 C +ATOM 625 OE1 GLN A 116 11.361 58.941 40.719 1.00 56.70 O +ATOM 626 NE2 GLN A 116 9.288 58.453 41.434 1.00 50.60 N +ATOM 627 N VAL A 117 9.651 56.814 35.608 1.00 43.69 N +ATOM 628 CA VAL A 117 9.913 56.836 34.174 1.00 43.53 C +ATOM 629 C VAL A 117 9.574 58.224 33.614 1.00 45.13 C +ATOM 630 O VAL A 117 10.186 58.688 32.651 1.00 44.55 O +ATOM 631 CB VAL A 117 9.083 55.750 33.455 1.00 48.49 C +ATOM 632 CG1 VAL A 117 9.290 55.817 31.955 1.00 48.59 C +ATOM 633 CG2 VAL A 117 9.440 54.372 33.987 1.00 48.65 C +ATOM 634 N LEU A 118 8.597 58.879 34.234 1.00 40.19 N +ATOM 635 CA LEU A 118 8.145 60.195 33.795 1.00 39.38 C +ATOM 636 C LEU A 118 9.210 61.281 33.885 1.00 42.59 C +ATOM 637 O LEU A 118 9.092 62.330 33.243 1.00 41.02 O +ATOM 638 CB LEU A 118 6.899 60.613 34.568 1.00 39.24 C +ATOM 639 CG LEU A 118 5.633 59.824 34.244 1.00 43.63 C +ATOM 640 CD1 LEU A 118 4.480 60.305 35.116 1.00 43.45 C +ATOM 641 CD2 LEU A 118 5.288 59.955 32.749 1.00 45.39 C +ATOM 642 N HIS A 119 10.247 61.038 34.682 1.00 39.75 N +ATOM 643 CA HIS A 119 11.323 62.017 34.835 1.00 39.98 C +ATOM 644 C HIS A 119 12.137 62.126 33.557 1.00 45.18 C +ATOM 645 O HIS A 119 12.874 63.093 33.358 1.00 44.69 O +ATOM 646 CB HIS A 119 12.255 61.632 35.993 1.00 40.60 C +ATOM 647 CG HIS A 119 11.705 61.950 37.348 1.00 43.61 C +ATOM 648 ND1 HIS A 119 11.534 63.243 37.799 1.00 45.12 N +ATOM 649 CD2 HIS A 119 11.307 61.143 38.360 1.00 44.91 C +ATOM 650 CE1 HIS A 119 11.049 63.218 39.027 1.00 44.30 C +ATOM 651 NE2 HIS A 119 10.899 61.955 39.390 1.00 44.62 N +ATOM 652 N GLU A 120 12.020 61.117 32.701 1.00 42.83 N +ATOM 653 CA GLU A 120 12.782 61.080 31.456 1.00 43.19 C +ATOM 654 C GLU A 120 12.010 61.583 30.237 1.00 47.33 C +ATOM 655 O GLU A 120 12.598 61.849 29.190 1.00 46.50 O +ATOM 656 CB GLU A 120 13.312 59.672 31.206 1.00 44.76 C +ATOM 657 CG GLU A 120 14.196 59.144 32.332 1.00 56.08 C +ATOM 658 CD GLU A 120 14.796 57.792 32.018 1.00 78.23 C +ATOM 659 OE1 GLU A 120 15.889 57.753 31.416 1.00 72.14 O +ATOM 660 OE2 GLU A 120 14.177 56.767 32.377 1.00 75.00 O +ATOM 661 N CYS A 121 10.695 61.719 30.379 1.00 44.56 N +ATOM 662 CA CYS A 121 9.850 62.192 29.278 1.00 44.77 C +ATOM 663 C CYS A 121 9.857 63.707 29.202 1.00 47.87 C +ATOM 664 O CYS A 121 9.015 64.373 29.801 1.00 48.16 O +ATOM 665 CB CYS A 121 8.422 61.670 29.434 1.00 45.35 C +ATOM 666 SG CYS A 121 8.340 59.875 29.547 1.00 49.65 S +ATOM 667 N ASN A 122 10.820 64.247 28.468 1.00 43.34 N +ATOM 668 CA ASN A 122 10.958 65.688 28.329 1.00 42.65 C +ATOM 669 C ASN A 122 10.845 66.139 26.877 1.00 44.25 C +ATOM 670 O ASN A 122 11.746 65.905 26.065 1.00 43.54 O +ATOM 671 CB ASN A 122 12.279 66.148 28.937 1.00 44.45 C +ATOM 672 CG ASN A 122 12.424 65.720 30.389 1.00 67.58 C +ATOM 673 OD1 ASN A 122 11.498 65.871 31.185 1.00 61.02 O +ATOM 674 ND2 ASN A 122 13.565 65.132 30.724 1.00 59.11 N +ATOM 675 N SER A 123 9.731 66.800 26.561 1.00 38.41 N +ATOM 676 CA SER A 123 9.471 67.280 25.207 1.00 36.77 C +ATOM 677 C SER A 123 8.517 68.463 25.263 1.00 39.07 C +ATOM 678 O SER A 123 7.706 68.570 26.181 1.00 38.64 O +ATOM 679 CB SER A 123 8.846 66.160 24.374 1.00 39.67 C +ATOM 680 OG SER A 123 8.021 66.682 23.344 1.00 45.11 O +ATOM 681 N PRO A 124 8.598 69.342 24.271 1.00 35.05 N +ATOM 682 CA PRO A 124 7.712 70.498 24.227 1.00 34.43 C +ATOM 683 C PRO A 124 6.254 70.064 24.053 1.00 36.62 C +ATOM 684 O PRO A 124 5.337 70.872 24.208 1.00 36.60 O +ATOM 685 CB PRO A 124 8.185 71.259 22.975 1.00 36.35 C +ATOM 686 CG PRO A 124 9.566 70.719 22.681 1.00 40.87 C +ATOM 687 CD PRO A 124 9.503 69.297 23.106 1.00 36.53 C +ATOM 688 N TYR A 125 6.047 68.789 23.730 1.00 31.82 N +ATOM 689 CA TYR A 125 4.700 68.267 23.484 1.00 30.79 C +ATOM 690 C TYR A 125 4.207 67.311 24.553 1.00 33.40 C +ATOM 691 O TYR A 125 3.202 66.606 24.354 1.00 32.27 O +ATOM 692 CB TYR A 125 4.626 67.608 22.093 1.00 31.77 C +ATOM 693 CG TYR A 125 5.200 68.487 21.012 1.00 32.93 C +ATOM 694 CD1 TYR A 125 4.531 69.630 20.600 1.00 34.69 C +ATOM 695 CD2 TYR A 125 6.461 68.239 20.490 1.00 33.67 C +ATOM 696 CE1 TYR A 125 5.068 70.464 19.647 1.00 35.77 C +ATOM 697 CE2 TYR A 125 7.015 69.075 19.550 1.00 34.93 C +ATOM 698 CZ TYR A 125 6.314 70.190 19.134 1.00 41.92 C +ATOM 699 OH TYR A 125 6.856 71.026 18.203 1.00 42.62 O +ATOM 700 N ILE A 126 4.904 67.300 25.694 1.00 29.29 N +ATOM 701 CA ILE A 126 4.561 66.436 26.827 1.00 29.37 C +ATOM 702 C ILE A 126 4.518 67.273 28.103 1.00 33.82 C +ATOM 703 O ILE A 126 5.464 68.004 28.403 1.00 33.56 O +ATOM 704 CB ILE A 126 5.586 65.279 26.978 1.00 32.59 C +ATOM 705 CG1 ILE A 126 5.617 64.401 25.719 1.00 33.09 C +ATOM 706 CG2 ILE A 126 5.295 64.474 28.228 1.00 33.27 C +ATOM 707 CD1 ILE A 126 4.314 63.666 25.434 1.00 34.67 C +ATOM 708 N VAL A 127 3.416 67.191 28.846 1.00 31.53 N +ATOM 709 CA VAL A 127 3.291 67.979 30.079 1.00 31.91 C +ATOM 710 C VAL A 127 4.448 67.660 31.040 1.00 35.22 C +ATOM 711 O VAL A 127 4.774 66.504 31.248 1.00 32.93 O +ATOM 712 CB VAL A 127 1.923 67.773 30.766 1.00 36.56 C +ATOM 713 CG1 VAL A 127 1.708 68.840 31.835 1.00 36.75 C +ATOM 714 CG2 VAL A 127 0.794 67.813 29.742 1.00 36.75 C +ATOM 715 N GLY A 128 5.059 68.699 31.609 1.00 34.45 N +ATOM 716 CA GLY A 128 6.185 68.525 32.544 1.00 35.22 C +ATOM 717 C GLY A 128 5.822 67.717 33.804 1.00 40.37 C +ATOM 718 O GLY A 128 4.732 67.865 34.363 1.00 39.28 O +ATOM 719 N PHE A 129 6.762 66.884 34.256 1.00 37.32 N +ATOM 720 CA PHE A 129 6.570 66.044 35.441 1.00 37.21 C +ATOM 721 C PHE A 129 7.509 66.499 36.564 1.00 40.93 C +ATOM 722 O PHE A 129 8.681 66.774 36.322 1.00 39.71 O +ATOM 723 CB PHE A 129 6.873 64.585 35.077 1.00 39.16 C +ATOM 724 CG PHE A 129 6.790 63.627 36.237 1.00 40.86 C +ATOM 725 CD1 PHE A 129 5.564 63.254 36.762 1.00 43.85 C +ATOM 726 CD2 PHE A 129 7.939 63.044 36.755 1.00 43.13 C +ATOM 727 CE1 PHE A 129 5.486 62.346 37.802 1.00 44.94 C +ATOM 728 CE2 PHE A 129 7.867 62.139 37.795 1.00 46.02 C +ATOM 729 CZ PHE A 129 6.639 61.786 38.319 1.00 44.18 C +ATOM 730 N TYR A 130 6.988 66.576 37.788 1.00 37.53 N +ATOM 731 CA TYR A 130 7.805 66.981 38.942 1.00 37.16 C +ATOM 732 C TYR A 130 8.141 65.796 39.834 1.00 41.32 C +ATOM 733 O TYR A 130 9.244 65.703 40.363 1.00 41.54 O +ATOM 734 CB TYR A 130 7.114 68.074 39.746 1.00 37.90 C +ATOM 735 CG TYR A 130 7.197 69.430 39.100 1.00 38.97 C +ATOM 736 CD1 TYR A 130 8.422 70.037 38.879 1.00 40.89 C +ATOM 737 CD2 TYR A 130 6.051 70.095 38.684 1.00 39.56 C +ATOM 738 CE1 TYR A 130 8.504 71.274 38.277 1.00 41.52 C +ATOM 739 CE2 TYR A 130 6.124 71.334 38.091 1.00 40.19 C +ATOM 740 CZ TYR A 130 7.352 71.914 37.882 1.00 46.82 C +ATOM 741 OH TYR A 130 7.431 73.144 37.283 1.00 46.81 O +ATOM 742 N GLY A 131 7.191 64.887 39.990 1.00 37.68 N +ATOM 743 CA GLY A 131 7.405 63.703 40.804 1.00 37.53 C +ATOM 744 C GLY A 131 6.099 63.118 41.299 1.00 42.12 C +ATOM 745 O GLY A 131 5.029 63.699 41.101 1.00 40.65 O +ATOM 746 N ALA A 132 6.197 61.958 41.941 1.00 40.09 N +ATOM 747 CA ALA A 132 5.039 61.262 42.492 1.00 40.45 C +ATOM 748 C ALA A 132 5.390 60.713 43.870 1.00 44.78 C +ATOM 749 O ALA A 132 6.540 60.341 44.125 1.00 44.68 O +ATOM 750 CB ALA A 132 4.621 60.128 41.568 1.00 41.37 C +ATOM 751 N PHE A 133 4.398 60.655 44.750 1.00 40.48 N +ATOM 752 CA PHE A 133 4.597 60.144 46.098 1.00 40.00 C +ATOM 753 C PHE A 133 3.270 59.664 46.653 1.00 46.23 C +ATOM 754 O PHE A 133 2.217 59.918 46.069 1.00 44.84 O +ATOM 755 CB PHE A 133 5.193 61.235 47.010 1.00 41.03 C +ATOM 756 CG PHE A 133 4.342 62.475 47.120 1.00 41.52 C +ATOM 757 CD1 PHE A 133 4.521 63.533 46.247 1.00 43.66 C +ATOM 758 CD2 PHE A 133 3.369 62.583 48.103 1.00 43.11 C +ATOM 759 CE1 PHE A 133 3.743 64.668 46.342 1.00 44.13 C +ATOM 760 CE2 PHE A 133 2.587 63.724 48.204 1.00 45.37 C +ATOM 761 CZ PHE A 133 2.776 64.765 47.323 1.00 43.00 C +ATOM 762 N TYR A 134 3.319 58.966 47.782 1.00 45.44 N +ATOM 763 CA TYR A 134 2.109 58.462 48.416 1.00 46.46 C +ATOM 764 C TYR A 134 1.935 59.098 49.779 1.00 51.37 C +ATOM 765 O TYR A 134 2.909 59.352 50.479 1.00 51.00 O +ATOM 766 CB TYR A 134 2.167 56.944 48.558 1.00 48.71 C +ATOM 767 CG TYR A 134 0.946 56.347 49.218 1.00 51.70 C +ATOM 768 CD1 TYR A 134 0.917 56.108 50.585 1.00 54.01 C +ATOM 769 CD2 TYR A 134 -0.169 56.007 48.471 1.00 52.98 C +ATOM 770 CE1 TYR A 134 -0.201 55.559 51.193 1.00 55.28 C +ATOM 771 CE2 TYR A 134 -1.287 55.454 49.067 1.00 54.21 C +ATOM 772 CZ TYR A 134 -1.298 55.234 50.429 1.00 63.31 C +ATOM 773 OH TYR A 134 -2.413 54.685 51.023 1.00 66.11 O +ATOM 774 N SER A 135 0.693 59.363 50.154 1.00 48.61 N +ATOM 775 CA SER A 135 0.426 59.969 51.440 1.00 49.34 C +ATOM 776 C SER A 135 -1.002 59.762 51.916 1.00 54.82 C +ATOM 777 O SER A 135 -1.963 60.152 51.247 1.00 54.32 O +ATOM 778 CB SER A 135 0.777 61.459 51.422 1.00 53.57 C +ATOM 779 OG SER A 135 0.392 62.088 52.635 1.00 64.35 O +ATOM 780 N ASP A 136 -1.128 59.144 53.083 1.00 52.46 N +ATOM 781 CA ASP A 136 -2.417 58.912 53.713 1.00 52.98 C +ATOM 782 C ASP A 136 -3.533 58.427 52.788 1.00 56.81 C +ATOM 783 O ASP A 136 -4.636 58.975 52.793 1.00 56.61 O +ATOM 784 CB ASP A 136 -2.854 60.143 54.516 1.00 55.39 C +ATOM 785 CG ASP A 136 -2.071 60.298 55.830 1.00 68.74 C +ATOM 786 OD1 ASP A 136 -2.123 61.391 56.434 1.00 69.49 O +ATOM 787 OD2 ASP A 136 -1.404 59.322 56.252 1.00 75.17 O +ATOM 788 N GLY A 137 -3.252 57.377 52.021 1.00 52.76 N +ATOM 789 CA GLY A 137 -4.253 56.782 51.141 1.00 52.33 C +ATOM 790 C GLY A 137 -4.352 57.367 49.729 1.00 55.49 C +ATOM 791 O GLY A 137 -5.188 56.939 48.942 1.00 55.40 O +ATOM 792 N GLU A 138 -3.514 58.343 49.405 1.00 50.95 N +ATOM 793 CA GLU A 138 -3.572 58.931 48.072 1.00 50.24 C +ATOM 794 C GLU A 138 -2.235 59.039 47.374 1.00 51.66 C +ATOM 795 O GLU A 138 -1.257 59.518 47.947 1.00 51.06 O +ATOM 796 CB GLU A 138 -4.261 60.303 48.089 1.00 51.70 C +ATOM 797 CG GLU A 138 -5.154 60.557 49.281 1.00 63.50 C +ATOM 798 CD GLU A 138 -5.457 62.033 49.466 1.00 85.83 C +ATOM 799 OE1 GLU A 138 -6.561 62.467 49.069 1.00 85.35 O +ATOM 800 OE2 GLU A 138 -4.581 62.764 49.985 1.00 76.91 O +ATOM 801 N ILE A 139 -2.211 58.617 46.112 1.00 46.14 N +ATOM 802 CA ILE A 139 -1.022 58.721 45.291 1.00 44.81 C +ATOM 803 C ILE A 139 -1.063 60.100 44.671 1.00 46.22 C +ATOM 804 O ILE A 139 -2.100 60.526 44.174 1.00 45.84 O +ATOM 805 CB ILE A 139 -0.989 57.630 44.201 1.00 47.90 C +ATOM 806 CG1 ILE A 139 -0.620 56.272 44.813 1.00 48.28 C +ATOM 807 CG2 ILE A 139 -0.008 58.010 43.103 1.00 48.54 C +ATOM 808 CD1 ILE A 139 0.517 55.575 44.112 1.00 54.35 C +ATOM 809 N SER A 140 0.045 60.820 44.734 1.00 40.77 N +ATOM 810 CA SER A 140 0.082 62.162 44.173 1.00 39.68 C +ATOM 811 C SER A 140 0.983 62.234 42.955 1.00 42.19 C +ATOM 812 O SER A 140 2.099 61.725 42.968 1.00 41.30 O +ATOM 813 CB SER A 140 0.529 63.184 45.229 1.00 42.60 C +ATOM 814 OG SER A 140 -0.567 63.615 46.026 1.00 48.73 O +ATOM 815 N ILE A 141 0.481 62.863 41.897 1.00 38.03 N +ATOM 816 CA ILE A 141 1.250 63.050 40.676 1.00 37.82 C +ATOM 817 C ILE A 141 1.314 64.539 40.419 1.00 40.79 C +ATOM 818 O ILE A 141 0.292 65.179 40.177 1.00 39.84 O +ATOM 819 CB ILE A 141 0.632 62.291 39.480 1.00 41.41 C +ATOM 820 CG1 ILE A 141 0.562 60.790 39.782 1.00 42.39 C +ATOM 821 CG2 ILE A 141 1.448 62.536 38.219 1.00 41.07 C +ATOM 822 CD1 ILE A 141 -0.485 60.046 38.967 1.00 50.29 C +ATOM 823 N CYS A 142 2.510 65.099 40.526 1.00 37.74 N +ATOM 824 CA CYS A 142 2.699 66.527 40.360 1.00 37.84 C +ATOM 825 C CYS A 142 3.309 66.853 39.024 1.00 40.18 C +ATOM 826 O CYS A 142 4.333 66.297 38.646 1.00 38.83 O +ATOM 827 CB CYS A 142 3.562 67.086 41.497 1.00 38.83 C +ATOM 828 SG CYS A 142 2.951 66.637 43.140 1.00 42.94 S +ATOM 829 N MET A 143 2.662 67.753 38.301 1.00 37.29 N +ATOM 830 CA MET A 143 3.131 68.131 36.984 1.00 37.40 C +ATOM 831 C MET A 143 3.140 69.613 36.797 1.00 38.48 C +ATOM 832 O MET A 143 2.694 70.369 37.651 1.00 37.52 O +ATOM 833 CB MET A 143 2.245 67.524 35.893 1.00 40.37 C +ATOM 834 CG MET A 143 1.600 66.220 36.229 1.00 45.21 C +ATOM 835 SD MET A 143 -0.010 66.093 35.406 1.00 50.47 S +ATOM 836 CE MET A 143 -1.133 66.367 36.821 1.00 47.23 C +ATOM 837 N GLU A 144 3.615 70.020 35.632 1.00 34.14 N +ATOM 838 CA GLU A 144 3.637 71.409 35.249 1.00 33.18 C +ATOM 839 C GLU A 144 2.174 71.825 35.114 1.00 35.62 C +ATOM 840 O GLU A 144 1.338 71.032 34.668 1.00 34.56 O +ATOM 841 CB GLU A 144 4.358 71.534 33.899 1.00 34.47 C +ATOM 842 CG GLU A 144 3.818 72.583 32.969 1.00 43.25 C +ATOM 843 CD GLU A 144 4.538 72.587 31.632 1.00 56.09 C +ATOM 844 OE1 GLU A 144 4.917 71.496 31.152 1.00 43.19 O +ATOM 845 OE2 GLU A 144 4.742 73.678 31.071 1.00 52.51 O +ATOM 846 N HIS A 145 1.852 73.035 35.551 1.00 31.39 N +ATOM 847 CA HIS A 145 0.481 73.523 35.468 1.00 30.67 C +ATOM 848 C HIS A 145 0.260 74.193 34.121 1.00 33.30 C +ATOM 849 O HIS A 145 1.037 75.057 33.718 1.00 34.21 O +ATOM 850 CB HIS A 145 0.189 74.504 36.607 1.00 31.19 C +ATOM 851 CG HIS A 145 -1.051 75.318 36.404 1.00 34.40 C +ATOM 852 ND1 HIS A 145 -1.022 76.680 36.197 1.00 36.03 N +ATOM 853 CD2 HIS A 145 -2.358 74.965 36.403 1.00 35.72 C +ATOM 854 CE1 HIS A 145 -2.258 77.128 36.060 1.00 35.29 C +ATOM 855 NE2 HIS A 145 -3.086 76.106 36.176 1.00 35.45 N +ATOM 856 N MET A 146 -0.787 73.773 33.414 1.00 27.69 N +ATOM 857 CA MET A 146 -1.120 74.346 32.111 1.00 26.11 C +ATOM 858 C MET A 146 -2.311 75.276 32.323 1.00 30.02 C +ATOM 859 O MET A 146 -3.424 74.828 32.560 1.00 28.72 O +ATOM 860 CB MET A 146 -1.462 73.236 31.111 1.00 27.68 C +ATOM 861 CG MET A 146 -0.307 72.273 30.826 1.00 30.15 C +ATOM 862 SD MET A 146 1.065 73.061 29.959 1.00 33.89 S +ATOM 863 CE MET A 146 0.429 73.098 28.222 1.00 30.11 C +ATOM 864 N ASP A 147 -2.047 76.576 32.308 1.00 29.16 N +ATOM 865 CA ASP A 147 -3.076 77.586 32.625 1.00 29.43 C +ATOM 866 C ASP A 147 -4.270 77.684 31.676 1.00 33.55 C +ATOM 867 O ASP A 147 -5.262 78.352 31.985 1.00 32.75 O +ATOM 868 CB ASP A 147 -2.434 78.963 32.846 1.00 31.63 C +ATOM 869 CG ASP A 147 -1.849 79.537 31.583 1.00 42.94 C +ATOM 870 OD1 ASP A 147 -1.910 78.852 30.535 1.00 43.53 O +ATOM 871 OD2 ASP A 147 -1.356 80.687 31.625 1.00 46.31 O +ATOM 872 N GLY A 148 -4.187 77.008 30.534 1.00 29.62 N +ATOM 873 CA GLY A 148 -5.278 77.030 29.557 1.00 29.14 C +ATOM 874 C GLY A 148 -6.256 75.870 29.757 1.00 32.17 C +ATOM 875 O GLY A 148 -7.304 75.809 29.100 1.00 30.94 O +ATOM 876 N GLY A 149 -5.894 74.941 30.642 1.00 27.81 N +ATOM 877 CA GLY A 149 -6.743 73.766 30.938 1.00 26.84 C +ATOM 878 C GLY A 149 -6.678 72.725 29.799 1.00 28.89 C +ATOM 879 O GLY A 149 -5.764 72.741 29.002 1.00 27.40 O +ATOM 880 N SER A 150 -7.665 71.836 29.737 1.00 25.55 N +ATOM 881 CA SER A 150 -7.700 70.797 28.701 1.00 25.40 C +ATOM 882 C SER A 150 -8.572 71.230 27.523 1.00 28.45 C +ATOM 883 O SER A 150 -9.416 72.115 27.658 1.00 26.82 O +ATOM 884 CB SER A 150 -8.240 69.486 29.287 1.00 28.74 C +ATOM 885 OG SER A 150 -9.317 69.741 30.172 1.00 38.78 O +ATOM 886 N LEU A 151 -8.389 70.586 26.370 1.00 25.56 N +ATOM 887 CA LEU A 151 -9.155 70.960 25.180 1.00 24.85 C +ATOM 888 C LEU A 151 -10.642 70.694 25.336 1.00 28.33 C +ATOM 889 O LEU A 151 -11.463 71.339 24.700 1.00 28.43 O +ATOM 890 CB LEU A 151 -8.588 70.296 23.924 1.00 24.91 C +ATOM 891 CG LEU A 151 -7.324 70.973 23.370 1.00 28.43 C +ATOM 892 CD1 LEU A 151 -6.982 70.415 21.981 1.00 27.89 C +ATOM 893 CD2 LEU A 151 -7.525 72.473 23.289 1.00 29.22 C +ATOM 894 N ASP A 152 -10.998 69.777 26.218 1.00 27.17 N +ATOM 895 CA ASP A 152 -12.420 69.533 26.462 1.00 27.76 C +ATOM 896 C ASP A 152 -13.032 70.771 27.136 1.00 32.15 C +ATOM 897 O ASP A 152 -14.161 71.161 26.832 1.00 31.11 O +ATOM 898 CB ASP A 152 -12.638 68.279 27.307 1.00 30.02 C +ATOM 899 CG ASP A 152 -12.137 68.433 28.720 1.00 42.89 C +ATOM 900 OD1 ASP A 152 -12.934 68.203 29.663 1.00 43.16 O +ATOM 901 OD2 ASP A 152 -10.940 68.756 28.891 1.00 46.35 O +ATOM 902 N GLN A 153 -12.253 71.426 28.004 1.00 28.31 N +ATOM 903 CA GLN A 153 -12.726 72.641 28.679 1.00 27.30 C +ATOM 904 C GLN A 153 -12.760 73.810 27.710 1.00 30.34 C +ATOM 905 O GLN A 153 -13.707 74.606 27.708 1.00 29.76 O +ATOM 906 CB GLN A 153 -11.842 72.972 29.893 1.00 28.38 C +ATOM 907 CG GLN A 153 -11.788 71.866 30.946 1.00 34.52 C +ATOM 908 CD GLN A 153 -10.722 72.113 32.015 1.00 49.41 C +ATOM 909 OE1 GLN A 153 -9.552 72.359 31.707 1.00 40.51 O +ATOM 910 NE2 GLN A 153 -11.122 72.025 33.271 1.00 46.76 N +ATOM 911 N VAL A 154 -11.717 73.919 26.884 1.00 25.92 N +ATOM 912 CA VAL A 154 -11.633 74.982 25.884 1.00 24.98 C +ATOM 913 C VAL A 154 -12.801 74.842 24.907 1.00 29.98 C +ATOM 914 O VAL A 154 -13.419 75.829 24.516 1.00 28.86 O +ATOM 915 CB VAL A 154 -10.287 74.927 25.111 1.00 27.61 C +ATOM 916 CG1 VAL A 154 -10.274 75.954 23.969 1.00 27.17 C +ATOM 917 CG2 VAL A 154 -9.099 75.134 26.063 1.00 27.03 C +ATOM 918 N LEU A 155 -13.062 73.609 24.480 1.00 27.87 N +ATOM 919 CA LEU A 155 -14.151 73.342 23.533 1.00 28.47 C +ATOM 920 C LEU A 155 -15.482 73.812 24.091 1.00 34.76 C +ATOM 921 O LEU A 155 -16.251 74.481 23.407 1.00 34.50 O +ATOM 922 CB LEU A 155 -14.228 71.839 23.203 1.00 28.47 C +ATOM 923 CG LEU A 155 -15.345 71.468 22.224 1.00 32.41 C +ATOM 924 CD1 LEU A 155 -15.145 72.175 20.898 1.00 32.56 C +ATOM 925 CD2 LEU A 155 -15.431 69.960 22.034 1.00 33.21 C +ATOM 926 N LYS A 156 -15.746 73.453 25.341 1.00 34.16 N +ATOM 927 CA LYS A 156 -16.986 73.842 26.011 1.00 34.89 C +ATOM 928 C LYS A 156 -17.207 75.336 25.892 1.00 39.31 C +ATOM 929 O LYS A 156 -18.317 75.787 25.640 1.00 39.95 O +ATOM 930 CB LYS A 156 -16.927 73.450 27.494 1.00 37.86 C +ATOM 931 CG LYS A 156 -18.042 72.542 27.956 1.00 49.57 C +ATOM 932 CD LYS A 156 -17.577 71.632 29.080 1.00 58.98 C +ATOM 933 CE LYS A 156 -18.196 70.242 28.957 1.00 71.32 C +ATOM 934 NZ LYS A 156 -17.231 69.237 28.419 1.00 80.81 N +ATOM 935 N LYS A 157 -16.131 76.099 26.063 1.00 35.86 N +ATOM 936 CA LYS A 157 -16.179 77.566 26.011 1.00 35.52 C +ATOM 937 C LYS A 157 -16.244 78.164 24.605 1.00 38.49 C +ATOM 938 O LYS A 157 -16.807 79.247 24.404 1.00 38.64 O +ATOM 939 CB LYS A 157 -14.965 78.148 26.747 1.00 39.04 C +ATOM 940 CG LYS A 157 -15.225 79.471 27.445 1.00 58.52 C +ATOM 941 CD LYS A 157 -14.796 79.416 28.901 1.00 70.75 C +ATOM 942 CE LYS A 157 -14.905 80.781 29.561 1.00 85.92 C +ATOM 943 NZ LYS A 157 -14.448 80.754 30.981 1.00 97.80 N +ATOM 944 N ALA A 158 -15.608 77.503 23.646 1.00 32.43 N +ATOM 945 CA ALA A 158 -15.550 78.017 22.285 1.00 30.99 C +ATOM 946 C ALA A 158 -16.753 77.677 21.433 1.00 32.55 C +ATOM 947 O ALA A 158 -17.018 78.351 20.449 1.00 31.66 O +ATOM 948 CB ALA A 158 -14.272 77.527 21.587 1.00 31.42 C +ATOM 949 N GLY A 159 -17.430 76.580 21.757 1.00 29.78 N +ATOM 950 CA GLY A 159 -18.541 76.106 20.924 1.00 29.48 C +ATOM 951 C GLY A 159 -17.903 75.122 19.940 1.00 32.90 C +ATOM 952 O GLY A 159 -18.138 73.928 20.004 1.00 34.04 O +ATOM 953 N ARG A 160 -17.051 75.636 19.070 1.00 28.75 N +ATOM 954 CA ARG A 160 -16.256 74.801 18.160 1.00 28.28 C +ATOM 955 C ARG A 160 -14.910 75.457 17.911 1.00 30.64 C +ATOM 956 O ARG A 160 -14.778 76.672 18.028 1.00 30.71 O +ATOM 957 CB ARG A 160 -16.978 74.453 16.853 1.00 28.62 C +ATOM 958 CG ARG A 160 -17.404 75.590 16.021 1.00 35.03 C +ATOM 959 CD ARG A 160 -18.195 75.058 14.840 1.00 39.72 C +ATOM 960 NE ARG A 160 -18.773 76.118 14.033 1.00 40.66 N +ATOM 961 CZ ARG A 160 -20.071 76.355 13.964 1.00 53.45 C +ATOM 962 NH1 ARG A 160 -20.911 75.603 14.658 1.00 46.43 N +ATOM 963 NH2 ARG A 160 -20.530 77.333 13.203 1.00 38.33 N +ATOM 964 N ILE A 161 -13.894 74.639 17.642 1.00 25.41 N +ATOM 965 CA ILE A 161 -12.535 75.133 17.443 1.00 24.28 C +ATOM 966 C ILE A 161 -12.203 75.235 15.947 1.00 27.68 C +ATOM 967 O ILE A 161 -12.444 74.287 15.193 1.00 26.86 O +ATOM 968 CB ILE A 161 -11.544 74.249 18.227 1.00 26.64 C +ATOM 969 CG1 ILE A 161 -11.956 74.207 19.721 1.00 26.46 C +ATOM 970 CG2 ILE A 161 -10.095 74.752 18.053 1.00 27.13 C +ATOM 971 CD1 ILE A 161 -11.055 73.386 20.585 1.00 28.15 C +ATOM 972 N PRO A 162 -11.709 76.403 15.513 1.00 23.77 N +ATOM 973 CA PRO A 162 -11.427 76.640 14.086 1.00 22.83 C +ATOM 974 C PRO A 162 -10.397 75.688 13.498 1.00 25.57 C +ATOM 975 O PRO A 162 -9.458 75.270 14.168 1.00 23.61 O +ATOM 976 CB PRO A 162 -10.907 78.085 14.048 1.00 24.88 C +ATOM 977 CG PRO A 162 -11.179 78.656 15.404 1.00 29.68 C +ATOM 978 CD PRO A 162 -11.273 77.528 16.358 1.00 25.55 C +ATOM 979 N GLU A 163 -10.574 75.364 12.224 1.00 23.03 N +ATOM 980 CA GLU A 163 -9.679 74.438 11.551 1.00 22.31 C +ATOM 981 C GLU A 163 -8.202 74.795 11.669 1.00 24.83 C +ATOM 982 O GLU A 163 -7.367 73.917 11.864 1.00 24.57 O +ATOM 983 CB GLU A 163 -10.093 74.260 10.087 1.00 23.53 C +ATOM 984 CG GLU A 163 -9.017 73.684 9.206 1.00 30.19 C +ATOM 985 CD GLU A 163 -9.497 73.414 7.782 1.00 33.17 C +ATOM 986 OE1 GLU A 163 -10.713 73.499 7.517 1.00 23.29 O +ATOM 987 OE2 GLU A 163 -8.647 73.139 6.927 1.00 25.30 O +ATOM 988 N GLN A 164 -7.862 76.071 11.530 1.00 22.22 N +ATOM 989 CA GLN A 164 -6.457 76.460 11.624 1.00 22.14 C +ATOM 990 C GLN A 164 -5.884 76.192 13.004 1.00 24.94 C +ATOM 991 O GLN A 164 -4.700 75.830 13.145 1.00 24.23 O +ATOM 992 CB GLN A 164 -6.247 77.923 11.203 1.00 24.18 C +ATOM 993 CG GLN A 164 -6.379 78.149 9.697 1.00 32.75 C +ATOM 994 CD GLN A 164 -5.789 79.468 9.248 1.00 50.87 C +ATOM 995 OE1 GLN A 164 -5.808 80.452 9.983 1.00 45.91 O +ATOM 996 NE2 GLN A 164 -5.266 79.495 8.032 1.00 46.29 N +ATOM 997 N ILE A 165 -6.721 76.339 14.028 1.00 20.94 N +ATOM 998 CA ILE A 165 -6.303 76.058 15.398 1.00 20.58 C +ATOM 999 C ILE A 165 -6.111 74.547 15.555 1.00 24.09 C +ATOM 1000 O ILE A 165 -5.177 74.092 16.204 1.00 22.22 O +ATOM 1001 CB ILE A 165 -7.324 76.592 16.420 1.00 23.64 C +ATOM 1002 CG1 ILE A 165 -7.363 78.124 16.365 1.00 23.80 C +ATOM 1003 CG2 ILE A 165 -6.968 76.116 17.817 1.00 25.01 C +ATOM 1004 CD1 ILE A 165 -6.029 78.781 16.804 1.00 26.77 C +ATOM 1005 N LEU A 166 -7.004 73.776 14.947 1.00 21.66 N +ATOM 1006 CA LEU A 166 -6.908 72.310 15.026 1.00 21.33 C +ATOM 1007 C LEU A 166 -5.697 71.767 14.275 1.00 25.80 C +ATOM 1008 O LEU A 166 -5.194 70.687 14.595 1.00 25.71 O +ATOM 1009 CB LEU A 166 -8.200 71.654 14.554 1.00 21.15 C +ATOM 1010 CG LEU A 166 -9.392 71.966 15.467 1.00 24.98 C +ATOM 1011 CD1 LEU A 166 -10.673 71.349 14.943 1.00 24.84 C +ATOM 1012 CD2 LEU A 166 -9.114 71.513 16.890 1.00 24.39 C +ATOM 1013 N GLY A 167 -5.202 72.542 13.309 1.00 23.80 N +ATOM 1014 CA GLY A 167 -3.995 72.170 12.559 1.00 23.65 C +ATOM 1015 C GLY A 167 -2.795 72.208 13.510 1.00 26.95 C +ATOM 1016 O GLY A 167 -1.953 71.331 13.491 1.00 25.79 O +ATOM 1017 N LYS A 168 -2.741 73.224 14.363 1.00 24.39 N +ATOM 1018 CA LYS A 168 -1.665 73.319 15.358 1.00 23.85 C +ATOM 1019 C LYS A 168 -1.815 72.210 16.396 1.00 25.86 C +ATOM 1020 O LYS A 168 -0.829 71.619 16.836 1.00 25.46 O +ATOM 1021 CB LYS A 168 -1.697 74.683 16.052 1.00 27.65 C +ATOM 1022 CG LYS A 168 -1.260 75.840 15.167 1.00 32.98 C +ATOM 1023 CD LYS A 168 0.091 75.582 14.514 1.00 41.12 C +ATOM 1024 CE LYS A 168 0.238 76.408 13.230 1.00 50.00 C +ATOM 1025 NZ LYS A 168 1.655 76.493 12.758 1.00 53.43 N +ATOM 1026 N VAL A 169 -3.052 71.935 16.803 1.00 21.08 N +ATOM 1027 CA VAL A 169 -3.301 70.873 17.773 1.00 21.40 C +ATOM 1028 C VAL A 169 -2.811 69.542 17.168 1.00 26.14 C +ATOM 1029 O VAL A 169 -2.119 68.766 17.822 1.00 25.97 O +ATOM 1030 CB VAL A 169 -4.819 70.804 18.159 1.00 25.25 C +ATOM 1031 CG1 VAL A 169 -5.112 69.547 18.940 1.00 25.59 C +ATOM 1032 CG2 VAL A 169 -5.237 72.068 18.983 1.00 24.76 C +ATOM 1033 N SER A 170 -3.171 69.300 15.908 1.00 23.46 N +ATOM 1034 CA SER A 170 -2.777 68.067 15.206 1.00 22.41 C +ATOM 1035 C SER A 170 -1.257 67.910 15.184 1.00 26.69 C +ATOM 1036 O SER A 170 -0.726 66.832 15.430 1.00 28.02 O +ATOM 1037 CB SER A 170 -3.317 68.080 13.766 1.00 23.73 C +ATOM 1038 OG SER A 170 -4.739 68.081 13.746 1.00 28.77 O +ATOM 1039 N ILE A 171 -0.556 68.981 14.869 1.00 24.12 N +ATOM 1040 CA ILE A 171 0.901 68.914 14.829 1.00 24.98 C +ATOM 1041 C ILE A 171 1.432 68.480 16.198 1.00 30.47 C +ATOM 1042 O ILE A 171 2.268 67.579 16.299 1.00 30.51 O +ATOM 1043 CB ILE A 171 1.504 70.259 14.402 1.00 28.40 C +ATOM 1044 CG1 ILE A 171 1.242 70.527 12.916 1.00 28.40 C +ATOM 1045 CG2 ILE A 171 3.014 70.315 14.729 1.00 29.35 C +ATOM 1046 CD1 ILE A 171 1.538 71.972 12.499 1.00 30.25 C +ATOM 1047 N ALA A 172 0.934 69.124 17.255 1.00 27.16 N +ATOM 1048 CA ALA A 172 1.385 68.836 18.617 1.00 26.38 C +ATOM 1049 C ALA A 172 1.175 67.397 19.019 1.00 28.57 C +ATOM 1050 O ALA A 172 2.066 66.753 19.580 1.00 28.32 O +ATOM 1051 CB ALA A 172 0.701 69.769 19.615 1.00 27.21 C +ATOM 1052 N VAL A 173 -0.009 66.890 18.749 1.00 25.01 N +ATOM 1053 CA VAL A 173 -0.339 65.532 19.110 1.00 24.50 C +ATOM 1054 C VAL A 173 0.521 64.523 18.370 1.00 30.75 C +ATOM 1055 O VAL A 173 1.020 63.569 18.966 1.00 31.71 O +ATOM 1056 CB VAL A 173 -1.818 65.250 18.918 1.00 28.25 C +ATOM 1057 CG1 VAL A 173 -2.106 63.754 19.179 1.00 27.44 C +ATOM 1058 CG2 VAL A 173 -2.660 66.150 19.851 1.00 27.93 C +ATOM 1059 N ILE A 174 0.687 64.719 17.066 1.00 28.05 N +ATOM 1060 CA ILE A 174 1.520 63.812 16.285 1.00 27.93 C +ATOM 1061 C ILE A 174 2.951 63.815 16.817 1.00 31.84 C +ATOM 1062 O ILE A 174 3.578 62.763 16.955 1.00 31.38 O +ATOM 1063 CB ILE A 174 1.525 64.175 14.797 1.00 30.87 C +ATOM 1064 CG1 ILE A 174 0.154 63.906 14.168 1.00 31.16 C +ATOM 1065 CG2 ILE A 174 2.604 63.374 14.087 1.00 32.58 C +ATOM 1066 CD1 ILE A 174 -0.036 64.589 12.790 1.00 35.58 C +ATOM 1067 N LYS A 175 3.480 65.010 17.065 1.00 28.34 N +ATOM 1068 CA LYS A 175 4.847 65.146 17.556 1.00 27.98 C +ATOM 1069 C LYS A 175 5.010 64.564 18.959 1.00 32.68 C +ATOM 1070 O LYS A 175 6.065 64.024 19.297 1.00 31.92 O +ATOM 1071 CB LYS A 175 5.292 66.597 17.506 1.00 29.57 C +ATOM 1072 CG LYS A 175 5.531 67.110 16.092 1.00 36.99 C +ATOM 1073 CD LYS A 175 6.393 68.359 16.100 1.00 41.41 C +ATOM 1074 CE LYS A 175 6.799 68.753 14.697 1.00 53.14 C +ATOM 1075 NZ LYS A 175 7.296 70.159 14.635 1.00 61.23 N +ATOM 1076 N GLY A 176 3.951 64.651 19.763 1.00 29.66 N +ATOM 1077 CA GLY A 176 3.964 64.104 21.120 1.00 29.65 C +ATOM 1078 C GLY A 176 3.977 62.575 21.057 1.00 33.72 C +ATOM 1079 O GLY A 176 4.738 61.917 21.772 1.00 32.61 O +ATOM 1080 N LEU A 177 3.148 62.014 20.187 1.00 30.83 N +ATOM 1081 CA LEU A 177 3.099 60.566 20.032 1.00 31.03 C +ATOM 1082 C LEU A 177 4.400 60.039 19.430 1.00 37.29 C +ATOM 1083 O LEU A 177 4.866 58.962 19.790 1.00 37.77 O +ATOM 1084 CB LEU A 177 1.918 60.148 19.167 1.00 30.71 C +ATOM 1085 CG LEU A 177 0.524 60.427 19.728 1.00 33.95 C +ATOM 1086 CD1 LEU A 177 -0.573 60.101 18.666 1.00 32.76 C +ATOM 1087 CD2 LEU A 177 0.292 59.640 21.010 1.00 35.48 C +ATOM 1088 N THR A 178 4.976 60.803 18.510 1.00 35.25 N +ATOM 1089 CA THR A 178 6.226 60.417 17.863 1.00 35.35 C +ATOM 1090 C THR A 178 7.333 60.358 18.913 1.00 40.36 C +ATOM 1091 O THR A 178 8.132 59.418 18.941 1.00 39.63 O +ATOM 1092 CB THR A 178 6.593 61.392 16.732 1.00 40.68 C +ATOM 1093 OG1 THR A 178 5.565 61.379 15.731 1.00 37.33 O +ATOM 1094 CG2 THR A 178 7.928 61.000 16.099 1.00 39.42 C +ATOM 1095 N TYR A 179 7.367 61.365 19.780 1.00 37.79 N +ATOM 1096 CA TYR A 179 8.364 61.426 20.837 1.00 38.47 C +ATOM 1097 C TYR A 179 8.253 60.238 21.787 1.00 43.80 C +ATOM 1098 O TYR A 179 9.253 59.607 22.126 1.00 43.74 O +ATOM 1099 CB TYR A 179 8.245 62.722 21.629 1.00 39.84 C +ATOM 1100 CG TYR A 179 9.136 62.735 22.847 1.00 41.41 C +ATOM 1101 CD1 TYR A 179 8.682 62.265 24.068 1.00 43.24 C +ATOM 1102 CD2 TYR A 179 10.460 63.152 22.756 1.00 42.30 C +ATOM 1103 CE1 TYR A 179 9.515 62.230 25.178 1.00 44.07 C +ATOM 1104 CE2 TYR A 179 11.302 63.119 23.858 1.00 43.22 C +ATOM 1105 CZ TYR A 179 10.822 62.666 25.065 1.00 49.83 C +ATOM 1106 OH TYR A 179 11.654 62.640 26.158 1.00 50.90 O +ATOM 1107 N LEU A 180 7.035 59.945 22.226 1.00 40.87 N +ATOM 1108 CA LEU A 180 6.808 58.843 23.152 1.00 41.26 C +ATOM 1109 C LEU A 180 7.224 57.514 22.547 1.00 49.01 C +ATOM 1110 O LEU A 180 7.899 56.705 23.191 1.00 48.83 O +ATOM 1111 CB LEU A 180 5.341 58.790 23.572 1.00 40.89 C +ATOM 1112 CG LEU A 180 4.884 59.939 24.476 1.00 44.81 C +ATOM 1113 CD1 LEU A 180 3.370 59.980 24.579 1.00 44.69 C +ATOM 1114 CD2 LEU A 180 5.517 59.816 25.856 1.00 46.41 C +ATOM 1115 N ARG A 181 6.817 57.291 21.304 1.00 47.95 N +ATOM 1116 CA ARG A 181 7.131 56.056 20.603 1.00 48.75 C +ATOM 1117 C ARG A 181 8.628 55.932 20.308 1.00 53.61 C +ATOM 1118 O ARG A 181 9.221 54.873 20.500 1.00 53.30 O +ATOM 1119 CB ARG A 181 6.335 55.979 19.300 1.00 50.36 C +ATOM 1120 CG ARG A 181 5.735 54.614 19.010 1.00 63.74 C +ATOM 1121 CD ARG A 181 5.919 54.246 17.547 1.00 77.91 C +ATOM 1122 NE ARG A 181 5.441 52.900 17.252 1.00 89.94 N +ATOM 1123 CZ ARG A 181 5.560 52.310 16.068 1.00106.91 C +ATOM 1124 NH1 ARG A 181 6.143 52.949 15.062 1.00 94.96 N +ATOM 1125 NH2 ARG A 181 5.095 51.080 15.888 1.00 95.20 N +ATOM 1126 N GLU A 182 9.228 57.026 19.849 1.00 50.70 N +ATOM 1127 CA GLU A 182 10.642 57.043 19.478 1.00 50.79 C +ATOM 1128 C GLU A 182 11.648 56.995 20.628 1.00 55.22 C +ATOM 1129 O GLU A 182 12.584 56.199 20.604 1.00 54.83 O +ATOM 1130 CB GLU A 182 10.947 58.251 18.590 1.00 52.15 C +ATOM 1131 CG GLU A 182 10.551 58.070 17.142 1.00 63.91 C +ATOM 1132 CD GLU A 182 11.229 56.875 16.500 1.00 87.27 C +ATOM 1133 OE1 GLU A 182 10.535 55.872 16.230 1.00 80.79 O +ATOM 1134 OE2 GLU A 182 12.457 56.938 16.272 1.00 83.23 O +ATOM 1135 N LYS A 183 11.494 57.892 21.595 1.00 51.50 N +ATOM 1136 CA LYS A 183 12.444 57.990 22.697 1.00 51.09 C +ATOM 1137 C LYS A 183 12.178 57.077 23.884 1.00 54.41 C +ATOM 1138 O LYS A 183 13.060 56.861 24.710 1.00 54.17 O +ATOM 1139 CB LYS A 183 12.569 59.438 23.167 1.00 53.81 C +ATOM 1140 CG LYS A 183 12.950 60.418 22.071 1.00 72.22 C +ATOM 1141 CD LYS A 183 13.911 61.473 22.591 1.00 85.57 C +ATOM 1142 CE LYS A 183 14.373 62.403 21.480 1.00 99.05 C +ATOM 1143 NZ LYS A 183 15.162 63.551 22.013 1.00109.57 N +ATOM 1144 N HIS A 184 10.969 56.547 23.985 1.00 50.01 N +ATOM 1145 CA HIS A 184 10.638 55.699 25.119 1.00 49.61 C +ATOM 1146 C HIS A 184 9.879 54.445 24.730 1.00 53.17 C +ATOM 1147 O HIS A 184 9.488 53.660 25.597 1.00 52.67 O +ATOM 1148 CB HIS A 184 9.855 56.499 26.171 1.00 50.13 C +ATOM 1149 CG HIS A 184 10.477 57.820 26.507 1.00 53.15 C +ATOM 1150 ND1 HIS A 184 11.481 57.953 27.442 1.00 54.64 N +ATOM 1151 CD2 HIS A 184 10.258 59.061 26.012 1.00 54.71 C +ATOM 1152 CE1 HIS A 184 11.845 59.221 27.518 1.00 54.00 C +ATOM 1153 NE2 HIS A 184 11.121 59.914 26.658 1.00 54.38 N +ATOM 1154 N LYS A 185 9.679 54.259 23.427 1.00 49.92 N +ATOM 1155 CA LYS A 185 8.949 53.105 22.913 1.00 50.13 C +ATOM 1156 C LYS A 185 7.633 52.958 23.651 1.00 54.74 C +ATOM 1157 O LYS A 185 7.216 51.853 23.991 1.00 54.86 O +ATOM 1158 CB LYS A 185 9.783 51.830 23.049 1.00 52.99 C +ATOM 1159 CG LYS A 185 11.065 51.848 22.235 1.00 71.23 C +ATOM 1160 CD LYS A 185 11.711 50.474 22.188 1.00 84.17 C +ATOM 1161 CE LYS A 185 12.620 50.334 20.974 1.00 97.15 C +ATOM 1162 NZ LYS A 185 12.599 48.949 20.417 1.00106.76 N +ATOM 1163 N ILE A 186 7.004 54.096 23.929 1.00 51.13 N +ATOM 1164 CA ILE A 186 5.743 54.130 24.652 1.00 50.77 C +ATOM 1165 C ILE A 186 4.626 54.606 23.739 1.00 52.55 C +ATOM 1166 O ILE A 186 4.845 55.420 22.852 1.00 51.13 O +ATOM 1167 CB ILE A 186 5.848 55.054 25.882 1.00 54.46 C +ATOM 1168 CG1 ILE A 186 6.829 54.483 26.907 1.00 55.32 C +ATOM 1169 CG2 ILE A 186 4.481 55.289 26.503 1.00 55.46 C +ATOM 1170 CD1 ILE A 186 7.186 55.463 28.009 1.00 64.69 C +ATOM 1171 N MET A 187 3.426 54.101 23.975 1.00 48.56 N +ATOM 1172 CA MET A 187 2.260 54.519 23.220 1.00 48.01 C +ATOM 1173 C MET A 187 1.302 55.165 24.217 1.00 48.33 C +ATOM 1174 O MET A 187 1.242 54.754 25.371 1.00 48.31 O +ATOM 1175 CB MET A 187 1.624 53.323 22.516 1.00 50.93 C +ATOM 1176 CG MET A 187 0.389 52.775 23.170 1.00 55.44 C +ATOM 1177 SD MET A 187 -0.411 51.589 22.071 1.00 60.70 S +ATOM 1178 CE MET A 187 -2.086 52.278 22.002 1.00 57.36 C +ATOM 1179 N HIS A 188 0.609 56.218 23.800 1.00 41.30 N +ATOM 1180 CA HIS A 188 -0.276 56.932 24.717 1.00 39.34 C +ATOM 1181 C HIS A 188 -1.354 56.072 25.365 1.00 41.90 C +ATOM 1182 O HIS A 188 -1.424 55.987 26.590 1.00 41.09 O +ATOM 1183 CB HIS A 188 -0.883 58.181 24.066 1.00 39.02 C +ATOM 1184 CG HIS A 188 -1.411 59.174 25.054 1.00 41.38 C +ATOM 1185 ND1 HIS A 188 -2.577 58.972 25.760 1.00 42.60 N +ATOM 1186 CD2 HIS A 188 -0.919 60.363 25.475 1.00 42.31 C +ATOM 1187 CE1 HIS A 188 -2.790 60.002 26.558 1.00 41.60 C +ATOM 1188 NE2 HIS A 188 -1.794 60.856 26.411 1.00 41.81 N +ATOM 1189 N ARG A 189 -2.210 55.468 24.534 1.00 37.68 N +ATOM 1190 CA ARG A 189 -3.308 54.599 24.996 1.00 36.76 C +ATOM 1191 C ARG A 189 -4.557 55.336 25.445 1.00 38.84 C +ATOM 1192 O ARG A 189 -5.591 54.721 25.662 1.00 38.41 O +ATOM 1193 CB ARG A 189 -2.851 53.646 26.104 1.00 38.24 C +ATOM 1194 CG ARG A 189 -2.091 52.424 25.623 1.00 50.80 C +ATOM 1195 CD ARG A 189 -1.436 51.687 26.794 1.00 62.94 C +ATOM 1196 NE ARG A 189 0.022 51.674 26.683 1.00 74.38 N +ATOM 1197 CZ ARG A 189 0.817 52.625 27.166 1.00 88.95 C +ATOM 1198 NH1 ARG A 189 0.297 53.663 27.809 1.00 74.71 N +ATOM 1199 NH2 ARG A 189 2.132 52.536 27.009 1.00 76.86 N +ATOM 1200 N ASP A 190 -4.467 56.646 25.617 1.00 34.69 N +ATOM 1201 CA ASP A 190 -5.633 57.405 26.057 1.00 33.83 C +ATOM 1202 C ASP A 190 -5.704 58.823 25.500 1.00 36.49 C +ATOM 1203 O ASP A 190 -5.898 59.782 26.248 1.00 36.74 O +ATOM 1204 CB ASP A 190 -5.745 57.412 27.595 1.00 35.41 C +ATOM 1205 CG ASP A 190 -7.144 57.797 28.087 1.00 41.78 C +ATOM 1206 OD1 ASP A 190 -8.118 57.648 27.317 1.00 41.29 O +ATOM 1207 OD2 ASP A 190 -7.268 58.241 29.250 1.00 46.84 O +ATOM 1208 N VAL A 191 -5.600 58.952 24.178 1.00 31.03 N +ATOM 1209 CA VAL A 191 -5.731 60.258 23.548 1.00 29.03 C +ATOM 1210 C VAL A 191 -7.214 60.623 23.553 1.00 31.70 C +ATOM 1211 O VAL A 191 -8.065 59.792 23.241 1.00 30.78 O +ATOM 1212 CB VAL A 191 -5.148 60.276 22.112 1.00 32.09 C +ATOM 1213 CG1 VAL A 191 -5.523 61.591 21.391 1.00 31.23 C +ATOM 1214 CG2 VAL A 191 -3.637 60.088 22.136 1.00 31.67 C +ATOM 1215 N LYS A 192 -7.513 61.853 23.959 1.00 27.67 N +ATOM 1216 CA LYS A 192 -8.887 62.370 24.003 1.00 26.53 C +ATOM 1217 C LYS A 192 -8.771 63.838 24.404 1.00 29.09 C +ATOM 1218 O LYS A 192 -7.732 64.254 24.882 1.00 27.64 O +ATOM 1219 CB LYS A 192 -9.750 61.585 24.994 1.00 28.52 C +ATOM 1220 CG LYS A 192 -9.232 61.590 26.430 1.00 36.97 C +ATOM 1221 CD LYS A 192 -10.218 60.886 27.356 1.00 44.39 C +ATOM 1222 CE LYS A 192 -9.689 60.781 28.778 1.00 50.96 C +ATOM 1223 NZ LYS A 192 -10.744 60.278 29.707 1.00 56.17 N +ATOM 1224 N PRO A 193 -9.802 64.633 24.157 1.00 27.14 N +ATOM 1225 CA PRO A 193 -9.702 66.083 24.416 1.00 27.03 C +ATOM 1226 C PRO A 193 -9.276 66.510 25.814 1.00 31.36 C +ATOM 1227 O PRO A 193 -8.603 67.531 25.970 1.00 33.02 O +ATOM 1228 CB PRO A 193 -11.099 66.599 24.068 1.00 29.01 C +ATOM 1229 CG PRO A 193 -11.563 65.664 22.999 1.00 33.57 C +ATOM 1230 CD PRO A 193 -11.042 64.300 23.427 1.00 29.15 C +ATOM 1231 N SER A 194 -9.659 65.739 26.828 1.00 27.43 N +ATOM 1232 CA SER A 194 -9.311 66.074 28.214 1.00 27.05 C +ATOM 1233 C SER A 194 -7.864 65.735 28.530 1.00 30.80 C +ATOM 1234 O SER A 194 -7.356 66.105 29.596 1.00 31.05 O +ATOM 1235 CB SER A 194 -10.245 65.369 29.196 1.00 31.44 C +ATOM 1236 OG SER A 194 -9.930 63.998 29.299 1.00 39.85 O +ATOM 1237 N ASN A 195 -7.194 65.043 27.606 1.00 25.48 N +ATOM 1238 CA ASN A 195 -5.793 64.688 27.803 1.00 25.28 C +ATOM 1239 C ASN A 195 -4.837 65.506 26.971 1.00 28.41 C +ATOM 1240 O ASN A 195 -3.658 65.191 26.883 1.00 28.41 O +ATOM 1241 CB ASN A 195 -5.553 63.195 27.626 1.00 27.98 C +ATOM 1242 CG ASN A 195 -5.952 62.406 28.846 1.00 43.16 C +ATOM 1243 OD1 ASN A 195 -6.246 62.980 29.902 1.00 34.52 O +ATOM 1244 ND2 ASN A 195 -5.991 61.094 28.713 1.00 33.76 N +ATOM 1245 N ILE A 196 -5.354 66.570 26.364 1.00 24.84 N +ATOM 1246 CA ILE A 196 -4.535 67.500 25.600 1.00 24.01 C +ATOM 1247 C ILE A 196 -4.671 68.814 26.343 1.00 28.50 C +ATOM 1248 O ILE A 196 -5.775 69.334 26.475 1.00 26.14 O +ATOM 1249 CB ILE A 196 -5.010 67.636 24.125 1.00 26.43 C +ATOM 1250 CG1 ILE A 196 -5.050 66.257 23.448 1.00 26.99 C +ATOM 1251 CG2 ILE A 196 -4.069 68.554 23.353 1.00 26.46 C +ATOM 1252 CD1 ILE A 196 -5.933 66.208 22.196 1.00 30.68 C +ATOM 1253 N LEU A 197 -3.551 69.318 26.865 1.00 26.64 N +ATOM 1254 CA LEU A 197 -3.541 70.552 27.657 1.00 26.33 C +ATOM 1255 C LEU A 197 -2.875 71.675 26.907 1.00 28.16 C +ATOM 1256 O LEU A 197 -1.959 71.449 26.119 1.00 26.14 O +ATOM 1257 CB LEU A 197 -2.812 70.330 28.995 1.00 26.58 C +ATOM 1258 CG LEU A 197 -3.201 69.070 29.769 1.00 32.49 C +ATOM 1259 CD1 LEU A 197 -2.312 68.881 31.010 1.00 34.01 C +ATOM 1260 CD2 LEU A 197 -4.663 69.127 30.159 1.00 33.59 C +ATOM 1261 N VAL A 198 -3.324 72.895 27.178 1.00 24.71 N +ATOM 1262 CA VAL A 198 -2.803 74.080 26.498 1.00 24.77 C +ATOM 1263 C VAL A 198 -2.522 75.190 27.493 1.00 27.43 C +ATOM 1264 O VAL A 198 -3.006 75.157 28.622 1.00 25.78 O +ATOM 1265 CB VAL A 198 -3.799 74.560 25.414 1.00 29.11 C +ATOM 1266 CG1 VAL A 198 -3.956 73.472 24.320 1.00 28.77 C +ATOM 1267 CG2 VAL A 198 -5.164 74.858 26.056 1.00 29.06 C +ATOM 1268 N ASN A 199 -1.736 76.172 27.069 1.00 26.45 N +ATOM 1269 CA ASN A 199 -1.405 77.304 27.937 1.00 26.76 C +ATOM 1270 C ASN A 199 -1.278 78.625 27.198 1.00 31.18 C +ATOM 1271 O ASN A 199 -1.203 78.663 25.964 1.00 29.59 O +ATOM 1272 CB ASN A 199 -0.164 77.014 28.822 1.00 27.72 C +ATOM 1273 CG ASN A 199 1.131 76.925 28.023 1.00 40.39 C +ATOM 1274 OD1 ASN A 199 1.288 77.574 26.996 1.00 34.65 O +ATOM 1275 ND2 ASN A 199 2.082 76.138 28.527 1.00 32.40 N +ATOM 1276 N SER A 200 -1.268 79.706 27.970 1.00 30.14 N +ATOM 1277 CA SER A 200 -1.194 81.060 27.446 1.00 30.93 C +ATOM 1278 C SER A 200 0.072 81.327 26.662 1.00 36.39 C +ATOM 1279 O SER A 200 0.192 82.355 26.011 1.00 36.16 O +ATOM 1280 CB SER A 200 -1.312 82.066 28.592 1.00 34.50 C +ATOM 1281 OG SER A 200 -0.442 81.712 29.656 1.00 39.52 O +ATOM 1282 N ARG A 201 1.029 80.415 26.739 1.00 34.34 N +ATOM 1283 CA ARG A 201 2.274 80.575 25.988 1.00 35.03 C +ATOM 1284 C ARG A 201 2.092 80.014 24.571 1.00 39.37 C +ATOM 1285 O ARG A 201 2.960 80.167 23.709 1.00 39.40 O +ATOM 1286 CB ARG A 201 3.428 79.854 26.692 1.00 36.53 C +ATOM 1287 CG ARG A 201 4.239 80.750 27.614 1.00 50.10 C +ATOM 1288 CD ARG A 201 4.472 80.087 28.960 1.00 62.81 C +ATOM 1289 NE ARG A 201 5.577 79.135 28.914 1.00 73.71 N +ATOM 1290 CZ ARG A 201 6.847 79.473 28.720 1.00 89.00 C +ATOM 1291 NH1 ARG A 201 7.178 80.747 28.549 1.00 77.50 N +ATOM 1292 NH2 ARG A 201 7.787 78.539 28.695 1.00 75.98 N +ATOM 1293 N GLY A 202 0.962 79.352 24.341 1.00 34.47 N +ATOM 1294 CA GLY A 202 0.679 78.784 23.027 1.00 33.47 C +ATOM 1295 C GLY A 202 1.135 77.336 22.916 1.00 35.66 C +ATOM 1296 O GLY A 202 1.154 76.767 21.827 1.00 36.01 O +ATOM 1297 N GLU A 203 1.514 76.742 24.041 1.00 30.01 N +ATOM 1298 CA GLU A 203 1.966 75.352 24.038 1.00 28.75 C +ATOM 1299 C GLU A 203 0.781 74.401 24.073 1.00 30.33 C +ATOM 1300 O GLU A 203 -0.274 74.719 24.620 1.00 28.96 O +ATOM 1301 CB GLU A 203 2.900 75.073 25.217 1.00 30.07 C +ATOM 1302 CG GLU A 203 4.133 75.963 25.240 1.00 39.53 C +ATOM 1303 CD GLU A 203 5.050 75.658 26.410 1.00 55.64 C +ATOM 1304 OE1 GLU A 203 4.615 75.817 27.571 1.00 45.15 O +ATOM 1305 OE2 GLU A 203 6.202 75.260 26.168 1.00 51.60 O +ATOM 1306 N ILE A 204 0.967 73.240 23.453 1.00 26.74 N +ATOM 1307 CA ILE A 204 -0.049 72.199 23.395 1.00 25.65 C +ATOM 1308 C ILE A 204 0.695 70.938 23.760 1.00 29.73 C +ATOM 1309 O ILE A 204 1.697 70.611 23.126 1.00 29.79 O +ATOM 1310 CB ILE A 204 -0.640 72.084 21.968 1.00 27.98 C +ATOM 1311 CG1 ILE A 204 -1.243 73.430 21.532 1.00 28.73 C +ATOM 1312 CG2 ILE A 204 -1.677 70.970 21.919 1.00 26.72 C +ATOM 1313 CD1 ILE A 204 -1.314 73.618 20.007 1.00 32.96 C +ATOM 1314 N LYS A 205 0.246 70.261 24.810 1.00 26.55 N +ATOM 1315 CA LYS A 205 0.955 69.090 25.325 1.00 26.08 C +ATOM 1316 C LYS A 205 0.050 67.943 25.699 1.00 31.20 C +ATOM 1317 O LYS A 205 -1.095 68.145 26.115 1.00 31.54 O +ATOM 1318 CB LYS A 205 1.771 69.491 26.561 1.00 27.65 C +ATOM 1319 CG LYS A 205 2.664 70.705 26.343 1.00 29.77 C +ATOM 1320 CD LYS A 205 3.553 71.000 27.563 1.00 29.70 C +ATOM 1321 CE LYS A 205 4.519 72.141 27.256 1.00 35.45 C +ATOM 1322 NZ LYS A 205 5.440 72.444 28.394 1.00 40.57 N +ATOM 1323 N LEU A 206 0.582 66.729 25.591 1.00 27.36 N +ATOM 1324 CA LEU A 206 -0.161 65.537 25.973 1.00 27.13 C +ATOM 1325 C LEU A 206 0.101 65.195 27.429 1.00 32.62 C +ATOM 1326 O LEU A 206 1.183 65.463 27.968 1.00 31.86 O +ATOM 1327 CB LEU A 206 0.265 64.346 25.116 1.00 26.97 C +ATOM 1328 CG LEU A 206 -0.030 64.457 23.629 1.00 30.65 C +ATOM 1329 CD1 LEU A 206 0.567 63.263 22.900 1.00 30.37 C +ATOM 1330 CD2 LEU A 206 -1.527 64.514 23.429 1.00 30.23 C +ATOM 1331 N CYS A 207 -0.879 64.571 28.057 1.00 31.32 N +ATOM 1332 CA CYS A 207 -0.737 64.142 29.429 1.00 32.52 C +ATOM 1333 C CYS A 207 -1.491 62.835 29.647 1.00 37.73 C +ATOM 1334 O CYS A 207 -2.211 62.364 28.765 1.00 36.53 O +ATOM 1335 CB CYS A 207 -1.243 65.225 30.384 1.00 33.24 C +ATOM 1336 SG CYS A 207 -3.043 65.342 30.503 1.00 37.24 S +ATOM 1337 N ASP A 208 -1.295 62.238 30.811 1.00 36.12 N +ATOM 1338 CA ASP A 208 -1.988 61.011 31.174 1.00 36.91 C +ATOM 1339 C ASP A 208 -1.785 59.797 30.281 1.00 42.44 C +ATOM 1340 O ASP A 208 -2.724 59.052 30.025 1.00 41.67 O +ATOM 1341 CB ASP A 208 -3.468 61.275 31.393 1.00 39.19 C +ATOM 1342 CG ASP A 208 -3.740 61.980 32.719 1.00 54.75 C +ATOM 1343 OD1 ASP A 208 -2.769 62.209 33.476 1.00 55.97 O +ATOM 1344 OD2 ASP A 208 -4.914 62.313 32.996 1.00 61.41 O +ATOM 1345 N PHE A 209 -0.554 59.577 29.837 1.00 41.36 N +ATOM 1346 CA PHE A 209 -0.246 58.386 29.058 1.00 42.43 C +ATOM 1347 C PHE A 209 0.228 57.329 30.059 1.00 51.18 C +ATOM 1348 O PHE A 209 1.069 57.608 30.905 1.00 51.13 O +ATOM 1349 CB PHE A 209 0.828 58.664 28.003 1.00 43.71 C +ATOM 1350 CG PHE A 209 1.960 59.527 28.492 1.00 44.77 C +ATOM 1351 CD1 PHE A 209 3.074 58.960 29.089 1.00 47.21 C +ATOM 1352 CD2 PHE A 209 1.925 60.902 28.323 1.00 46.10 C +ATOM 1353 CE1 PHE A 209 4.121 59.750 29.524 1.00 47.54 C +ATOM 1354 CE2 PHE A 209 2.965 61.693 28.758 1.00 48.49 C +ATOM 1355 CZ PHE A 209 4.064 61.117 29.360 1.00 46.48 C +ATOM 1356 N GLY A 210 -0.362 56.141 29.997 1.00 51.13 N +ATOM 1357 CA GLY A 210 -0.037 55.063 30.933 1.00 52.20 C +ATOM 1358 C GLY A 210 1.437 54.661 30.911 1.00 58.56 C +ATOM 1359 O GLY A 210 1.990 54.349 29.860 1.00 58.52 O +ATOM 1360 N VAL A 211 2.061 54.655 32.083 1.00 56.40 N +ATOM 1361 CA VAL A 211 3.463 54.280 32.200 1.00 56.76 C +ATOM 1362 C VAL A 211 3.660 53.297 33.354 1.00 61.93 C +ATOM 1363 O VAL A 211 4.671 52.594 33.422 1.00 60.95 O +ATOM 1364 CB VAL A 211 4.364 55.515 32.342 1.00 60.79 C +ATOM 1365 CG1 VAL A 211 5.824 55.130 32.192 1.00 60.79 C +ATOM 1366 CG2 VAL A 211 3.976 56.576 31.310 1.00 60.56 C +ATOM 1367 N SER A 212 2.675 53.244 34.249 1.00 59.94 N +ATOM 1368 CA SER A 212 2.725 52.349 35.404 1.00 60.26 C +ATOM 1369 C SER A 212 1.644 51.270 35.316 1.00 65.23 C +ATOM 1370 O SER A 212 0.465 51.532 35.574 1.00 64.42 O +ATOM 1371 CB SER A 212 2.564 53.146 36.704 1.00 63.76 C +ATOM 1372 OG SER A 212 2.086 52.322 37.756 1.00 71.44 O +ATOM 1373 N GLY A 213 2.054 50.059 34.954 1.00 63.14 N +ATOM 1374 CA GLY A 213 1.127 48.939 34.835 1.00 63.40 C +ATOM 1375 C GLY A 213 0.435 48.649 36.167 1.00 68.55 C +ATOM 1376 O GLY A 213 -0.770 48.379 36.209 1.00 67.92 O +ATOM 1377 N GLN A 214 1.200 48.709 37.254 1.00 66.22 N +ATOM 1378 CA GLN A 214 0.657 48.447 38.582 1.00 66.58 C +ATOM 1379 C GLN A 214 -0.461 49.427 38.933 1.00 72.00 C +ATOM 1380 O GLN A 214 -1.526 49.021 39.404 1.00 71.55 O +ATOM 1381 CB GLN A 214 1.763 48.495 39.641 1.00 67.90 C +ATOM 1382 CG GLN A 214 1.315 48.050 41.028 1.00 82.45 C +ATOM 1383 CD GLN A 214 0.393 46.842 40.990 1.00 99.01 C +ATOM 1384 OE1 GLN A 214 -0.820 46.963 41.180 1.00 93.72 O +ATOM 1385 NE2 GLN A 214 0.967 45.669 40.756 1.00 89.55 N +ATOM 1386 N LEU A 215 -0.215 50.716 38.699 1.00 69.57 N +ATOM 1387 CA LEU A 215 -1.215 51.741 38.979 1.00 69.83 C +ATOM 1388 C LEU A 215 -2.490 51.437 38.208 1.00 75.55 C +ATOM 1389 O LEU A 215 -3.593 51.514 38.754 1.00 75.07 O +ATOM 1390 CB LEU A 215 -0.693 53.127 38.596 1.00 69.70 C +ATOM 1391 CG LEU A 215 -1.728 54.257 38.565 1.00 74.06 C +ATOM 1392 CD1 LEU A 215 -2.476 54.343 39.889 1.00 74.05 C +ATOM 1393 CD2 LEU A 215 -1.064 55.586 38.234 1.00 76.30 C +ATOM 1394 N ILE A 216 -2.331 51.084 36.935 1.00 73.50 N +ATOM 1395 CA ILE A 216 -3.464 50.748 36.086 1.00 74.02 C +ATOM 1396 C ILE A 216 -4.326 49.686 36.770 1.00 79.33 C +ATOM 1397 O ILE A 216 -5.520 49.890 36.995 1.00 78.74 O +ATOM 1398 CB ILE A 216 -3.000 50.280 34.684 1.00 77.10 C +ATOM 1399 CG1 ILE A 216 -2.970 51.461 33.708 1.00 77.50 C +ATOM 1400 CG2 ILE A 216 -3.906 49.176 34.163 1.00 77.66 C +ATOM 1401 CD1 ILE A 216 -1.981 51.294 32.569 1.00 83.61 C +ATOM 1402 N ASP A 217 -3.704 48.561 37.116 1.00 77.13 N +ATOM 1403 CA ASP A 217 -4.402 47.466 37.783 1.00 77.52 C +ATOM 1404 C ASP A 217 -5.187 47.954 39.000 1.00 82.57 C +ATOM 1405 O ASP A 217 -6.416 47.898 39.018 1.00 82.32 O +ATOM 1406 CB ASP A 217 -3.413 46.376 38.205 1.00 79.35 C +ATOM 1407 CG ASP A 217 -2.629 45.816 37.036 1.00 89.82 C +ATOM 1408 OD1 ASP A 217 -2.947 46.170 35.882 1.00 90.70 O +ATOM 1409 OD2 ASP A 217 -1.694 45.022 37.272 1.00 95.36 O +ATOM 1410 N SER A 218 -4.468 48.421 40.017 1.00 79.83 N +ATOM 1411 CA SER A 218 -5.090 48.911 41.244 1.00 79.97 C +ATOM 1412 C SER A 218 -6.215 49.904 40.957 1.00 85.04 C +ATOM 1413 O SER A 218 -7.236 49.918 41.646 1.00 84.53 O +ATOM 1414 CB SER A 218 -4.043 49.556 42.155 1.00 83.25 C +ATOM 1415 OG SER A 218 -2.916 48.713 42.318 1.00 91.37 O +ATOM 1416 N MET A 219 -6.018 50.733 39.937 1.00 82.64 N +ATOM 1417 CA MET A 219 -7.009 51.736 39.556 1.00 82.83 C +ATOM 1418 C MET A 219 -8.218 51.100 38.862 1.00 87.74 C +ATOM 1419 O MET A 219 -9.358 51.524 39.069 1.00 87.33 O +ATOM 1420 CB MET A 219 -6.372 52.789 38.644 1.00 85.08 C +ATOM 1421 CG MET A 219 -6.843 54.210 38.908 1.00 88.65 C +ATOM 1422 SD MET A 219 -5.752 55.462 38.180 1.00 92.75 S +ATOM 1423 CE MET A 219 -5.020 54.535 36.813 1.00 89.44 C +ATOM 1424 N ALA A 220 -7.958 50.085 38.041 1.00 84.91 N +ATOM 1425 CA ALA A 220 -9.010 49.389 37.297 1.00 85.02 C +ATOM 1426 C ALA A 220 -10.213 49.027 38.165 1.00 89.42 C +ATOM 1427 O ALA A 220 -11.302 48.759 37.653 1.00 88.94 O +ATOM 1428 CB ALA A 220 -8.449 48.148 36.621 1.00 85.76 C +ATOM 1429 N ASN A 221 -10.013 49.026 39.479 1.00 86.19 N +ATOM 1430 CA ASN A 221 -11.081 48.698 40.415 1.00 86.00 C +ATOM 1431 C ASN A 221 -12.256 49.665 40.284 1.00 89.41 C +ATOM 1432 O ASN A 221 -13.041 49.583 39.338 1.00 89.01 O +ATOM 1433 CB ASN A 221 -10.552 48.701 41.851 1.00 87.41 C +ATOM 1434 CG ASN A 221 -9.718 47.475 42.167 1.00113.30 C +ATOM 1435 OD1 ASN A 221 -10.006 46.376 41.694 1.00108.71 O +ATOM 1436 ND2 ASN A 221 -8.677 47.658 42.969 1.00105.81 N +ATOM 1437 N SER A 222 -12.370 50.582 41.240 1.00 85.48 N +ATOM 1438 CA SER A 222 -13.450 51.563 41.230 1.00 84.97 C +ATOM 1439 C SER A 222 -13.204 52.673 40.208 1.00 87.38 C +ATOM 1440 O SER A 222 -14.001 53.610 40.095 1.00 86.93 O +ATOM 1441 CB SER A 222 -13.648 52.162 42.624 1.00 88.90 C +ATOM 1442 OG SER A 222 -12.771 53.255 42.842 1.00 98.43 O +ATOM 1443 N PHE A 223 -12.104 52.561 39.464 1.00 82.58 N +ATOM 1444 CA PHE A 223 -11.753 53.560 38.452 1.00 81.57 C +ATOM 1445 C PHE A 223 -11.816 52.976 37.035 1.00 81.80 C +ATOM 1446 O PHE A 223 -11.283 51.898 36.782 1.00 81.57 O +ATOM 1447 CB PHE A 223 -10.328 54.116 38.682 1.00 83.69 C +ATOM 1448 CG PHE A 223 -9.977 54.387 40.132 1.00 85.62 C +ATOM 1449 CD1 PHE A 223 -9.997 53.368 41.082 1.00 88.97 C +ATOM 1450 CD2 PHE A 223 -9.509 55.637 40.515 1.00 87.99 C +ATOM 1451 CE1 PHE A 223 -9.637 53.618 42.396 1.00 90.00 C +ATOM 1452 CE2 PHE A 223 -9.140 55.887 41.822 1.00 90.94 C +ATOM 1453 CZ PHE A 223 -9.202 54.877 42.763 1.00 89.11 C +ATOM 1454 N VAL A 224 -12.426 53.726 36.114 1.00 74.90 N +ATOM 1455 CA VAL A 224 -12.510 53.344 34.697 1.00 72.89 C +ATOM 1456 C VAL A 224 -12.805 54.585 33.845 1.00 71.34 C +ATOM 1457 O VAL A 224 -13.877 55.179 33.955 1.00 70.88 O +ATOM 1458 CB VAL A 224 -13.566 52.238 34.433 1.00 77.13 C +ATOM 1459 CG1 VAL A 224 -13.882 52.162 32.939 1.00 77.08 C +ATOM 1460 CG2 VAL A 224 -13.077 50.886 34.927 1.00 76.94 C +ATOM 1461 N GLY A 225 -11.851 54.971 33.000 1.00 63.33 N +ATOM 1462 CA GLY A 225 -12.015 56.140 32.133 1.00 60.84 C +ATOM 1463 C GLY A 225 -12.857 55.785 30.911 1.00 58.73 C +ATOM 1464 O GLY A 225 -12.983 54.617 30.557 1.00 57.94 O +ATOM 1465 N THR A 226 -13.437 56.798 30.273 1.00 51.13 N +ATOM 1466 CA THR A 226 -14.280 56.573 29.101 1.00 48.72 C +ATOM 1467 C THR A 226 -13.584 55.741 28.032 1.00 46.97 C +ATOM 1468 O THR A 226 -12.382 55.873 27.808 1.00 45.26 O +ATOM 1469 CB THR A 226 -14.811 57.891 28.513 1.00 56.66 C +ATOM 1470 OG1 THR A 226 -15.985 57.625 27.736 1.00 56.78 O +ATOM 1471 CG2 THR A 226 -13.761 58.540 27.619 1.00 54.22 C +ATOM 1472 N ARG A 227 -14.363 54.895 27.364 1.00 40.56 N +ATOM 1473 CA ARG A 227 -13.861 54.056 26.286 1.00 38.47 C +ATOM 1474 C ARG A 227 -14.354 54.614 24.943 1.00 38.27 C +ATOM 1475 O ARG A 227 -14.080 54.058 23.894 1.00 36.39 O +ATOM 1476 CB ARG A 227 -14.366 52.617 26.457 1.00 37.02 C +ATOM 1477 CG ARG A 227 -13.749 51.869 27.640 1.00 46.08 C +ATOM 1478 CD ARG A 227 -13.700 50.356 27.388 1.00 55.70 C +ATOM 1479 NE ARG A 227 -12.356 49.823 27.596 1.00 60.75 N +ATOM 1480 CZ ARG A 227 -11.844 48.791 26.936 1.00 69.89 C +ATOM 1481 NH1 ARG A 227 -12.565 48.158 26.020 1.00 48.65 N +ATOM 1482 NH2 ARG A 227 -10.607 48.389 27.197 1.00 61.14 N +ATOM 1483 N SER A 228 -15.083 55.717 25.004 1.00 33.90 N +ATOM 1484 CA SER A 228 -15.665 56.341 23.814 1.00 33.02 C +ATOM 1485 C SER A 228 -14.694 56.808 22.721 1.00 34.94 C +ATOM 1486 O SER A 228 -15.120 57.098 21.611 1.00 33.81 O +ATOM 1487 CB SER A 228 -16.594 57.487 24.214 1.00 37.60 C +ATOM 1488 OG SER A 228 -15.945 58.382 25.087 1.00 47.01 O +ATOM 1489 N TYR A 229 -13.399 56.892 23.033 1.00 30.75 N +ATOM 1490 CA TYR A 229 -12.412 57.334 22.036 1.00 29.58 C +ATOM 1491 C TYR A 229 -11.520 56.199 21.558 1.00 34.22 C +ATOM 1492 O TYR A 229 -10.599 56.410 20.751 1.00 33.26 O +ATOM 1493 CB TYR A 229 -11.556 58.489 22.584 1.00 29.49 C +ATOM 1494 CG TYR A 229 -12.366 59.734 22.903 1.00 28.37 C +ATOM 1495 CD1 TYR A 229 -12.588 60.710 21.941 1.00 29.54 C +ATOM 1496 CD2 TYR A 229 -12.941 59.903 24.146 1.00 28.47 C +ATOM 1497 CE1 TYR A 229 -13.354 61.839 22.229 1.00 29.75 C +ATOM 1498 CE2 TYR A 229 -13.711 61.014 24.438 1.00 28.74 C +ATOM 1499 CZ TYR A 229 -13.912 61.977 23.482 1.00 32.99 C +ATOM 1500 OH TYR A 229 -14.677 63.088 23.788 1.00 29.91 O +ATOM 1501 N MET A 230 -11.799 54.989 22.036 1.00 31.91 N +ATOM 1502 CA MET A 230 -10.996 53.831 21.660 1.00 32.28 C +ATOM 1503 C MET A 230 -11.279 53.354 20.242 1.00 35.20 C +ATOM 1504 O MET A 230 -12.415 53.369 19.778 1.00 34.33 O +ATOM 1505 CB MET A 230 -11.192 52.692 22.662 1.00 35.28 C +ATOM 1506 CG MET A 230 -10.544 52.951 24.023 1.00 39.66 C +ATOM 1507 SD MET A 230 -10.674 51.530 25.115 1.00 44.66 S +ATOM 1508 CE MET A 230 -9.900 52.165 26.600 1.00 41.63 C +ATOM 1509 N SER A 231 -10.234 52.924 19.562 1.00 32.83 N +ATOM 1510 CA SER A 231 -10.360 52.451 18.194 1.00 33.33 C +ATOM 1511 C SER A 231 -11.174 51.173 18.156 1.00 39.08 C +ATOM 1512 O SER A 231 -11.241 50.434 19.142 1.00 38.88 O +ATOM 1513 CB SER A 231 -8.983 52.193 17.598 1.00 36.30 C +ATOM 1514 OG SER A 231 -8.301 51.199 18.343 1.00 44.36 O +ATOM 1515 N PRO A 232 -11.779 50.908 17.010 1.00 36.94 N +ATOM 1516 CA PRO A 232 -12.594 49.708 16.830 1.00 37.10 C +ATOM 1517 C PRO A 232 -11.802 48.432 17.093 1.00 41.10 C +ATOM 1518 O PRO A 232 -12.340 47.464 17.634 1.00 41.59 O +ATOM 1519 CB PRO A 232 -13.020 49.786 15.352 1.00 38.93 C +ATOM 1520 CG PRO A 232 -12.053 50.748 14.714 1.00 43.46 C +ATOM 1521 CD PRO A 232 -11.713 51.726 15.785 1.00 38.96 C +ATOM 1522 N GLU A 233 -10.522 48.429 16.729 1.00 36.76 N +ATOM 1523 CA GLU A 233 -9.696 47.245 16.941 1.00 36.83 C +ATOM 1524 C GLU A 233 -9.440 46.992 18.420 1.00 42.93 C +ATOM 1525 O GLU A 233 -9.444 45.846 18.866 1.00 42.93 O +ATOM 1526 CB GLU A 233 -8.385 47.308 16.149 1.00 37.74 C +ATOM 1527 CG GLU A 233 -7.383 48.338 16.658 1.00 45.90 C +ATOM 1528 CD GLU A 233 -7.460 49.648 15.904 1.00 50.73 C +ATOM 1529 OE1 GLU A 233 -8.493 49.910 15.255 1.00 35.73 O +ATOM 1530 OE2 GLU A 233 -6.485 50.417 15.963 1.00 38.09 O +ATOM 1531 N ARG A 234 -9.231 48.066 19.182 1.00 40.33 N +ATOM 1532 CA ARG A 234 -8.999 47.949 20.619 1.00 40.02 C +ATOM 1533 C ARG A 234 -10.278 47.512 21.314 1.00 44.90 C +ATOM 1534 O ARG A 234 -10.236 46.822 22.336 1.00 44.32 O +ATOM 1535 CB ARG A 234 -8.488 49.270 21.207 1.00 39.54 C +ATOM 1536 CG ARG A 234 -6.976 49.415 21.172 1.00 46.37 C +ATOM 1537 CD ARG A 234 -6.491 50.518 22.116 1.00 51.42 C +ATOM 1538 NE ARG A 234 -6.650 50.154 23.523 1.00 52.29 N +ATOM 1539 CZ ARG A 234 -6.351 50.957 24.542 1.00 65.04 C +ATOM 1540 NH1 ARG A 234 -5.877 52.176 24.312 1.00 48.23 N +ATOM 1541 NH2 ARG A 234 -6.526 50.542 25.794 1.00 51.78 N +ATOM 1542 N LEU A 235 -11.421 47.908 20.756 1.00 42.36 N +ATOM 1543 CA LEU A 235 -12.709 47.517 21.319 1.00 43.27 C +ATOM 1544 C LEU A 235 -13.012 46.059 20.949 1.00 51.47 C +ATOM 1545 O LEU A 235 -13.919 45.440 21.503 1.00 51.04 O +ATOM 1546 CB LEU A 235 -13.824 48.433 20.800 1.00 42.92 C +ATOM 1547 CG LEU A 235 -13.844 49.839 21.411 1.00 46.95 C +ATOM 1548 CD1 LEU A 235 -14.883 50.723 20.730 1.00 46.87 C +ATOM 1549 CD2 LEU A 235 -14.086 49.773 22.922 1.00 47.95 C +ATOM 1550 N GLN A 236 -12.242 45.526 20.006 1.00 51.33 N +ATOM 1551 CA GLN A 236 -12.421 44.156 19.540 1.00 52.60 C +ATOM 1552 C GLN A 236 -11.299 43.257 20.046 1.00 59.78 C +ATOM 1553 O GLN A 236 -11.184 42.111 19.628 1.00 59.63 O +ATOM 1554 CB GLN A 236 -12.449 44.121 18.010 1.00 54.03 C +ATOM 1555 CG GLN A 236 -13.803 44.433 17.398 1.00 71.71 C +ATOM 1556 CD GLN A 236 -13.845 44.142 15.908 1.00 95.77 C +ATOM 1557 OE1 GLN A 236 -12.821 44.197 15.224 1.00 93.24 O +ATOM 1558 NE2 GLN A 236 -15.030 43.818 15.398 1.00 88.37 N +ATOM 1559 N GLY A 237 -10.466 43.790 20.935 1.00 58.74 N +ATOM 1560 CA GLY A 237 -9.345 43.040 21.489 1.00 59.67 C +ATOM 1561 C GLY A 237 -8.320 42.684 20.408 1.00 66.91 C +ATOM 1562 O GLY A 237 -7.423 41.866 20.635 1.00 67.16 O +ATOM 1563 N THR A 238 -8.454 43.306 19.238 1.00 65.18 N +ATOM 1564 CA THR A 238 -7.552 43.046 18.113 1.00 65.71 C +ATOM 1565 C THR A 238 -6.290 43.910 18.149 1.00 70.72 C +ATOM 1566 O THR A 238 -5.650 44.044 19.193 1.00 70.59 O +ATOM 1567 CB THR A 238 -8.283 43.174 16.761 1.00 76.30 C +ATOM 1568 OG1 THR A 238 -9.564 42.536 16.846 1.00 77.79 O +ATOM 1569 CG2 THR A 238 -7.474 42.523 15.653 1.00 75.94 C +ATOM 1570 N HIS A 239 -5.933 44.474 16.993 1.00 67.95 N +ATOM 1571 CA HIS A 239 -4.741 45.321 16.854 1.00 67.92 C +ATOM 1572 C HIS A 239 -4.610 46.332 17.996 1.00 71.93 C +ATOM 1573 O HIS A 239 -5.567 47.029 18.339 1.00 72.25 O +ATOM 1574 CB HIS A 239 -4.743 46.031 15.491 1.00 68.73 C +ATOM 1575 CG HIS A 239 -3.714 47.113 15.364 1.00 72.21 C +ATOM 1576 ND1 HIS A 239 -2.535 46.944 14.668 1.00 73.95 N +ATOM 1577 CD2 HIS A 239 -3.701 48.389 15.819 1.00 74.00 C +ATOM 1578 CE1 HIS A 239 -1.834 48.063 14.713 1.00 73.34 C +ATOM 1579 NE2 HIS A 239 -2.519 48.955 15.407 1.00 73.72 N +ATOM 1580 N TYR A 240 -3.419 46.391 18.586 1.00 67.29 N +ATOM 1581 CA TYR A 240 -3.151 47.280 19.714 1.00 66.27 C +ATOM 1582 C TYR A 240 -1.789 47.963 19.550 1.00 66.35 C +ATOM 1583 O TYR A 240 -0.778 47.468 20.042 1.00 65.95 O +ATOM 1584 CB TYR A 240 -3.175 46.463 21.014 1.00 68.04 C +ATOM 1585 CG TYR A 240 -3.095 47.274 22.287 1.00 70.43 C +ATOM 1586 CD1 TYR A 240 -2.891 46.651 23.514 1.00 72.61 C +ATOM 1587 CD2 TYR A 240 -3.231 48.654 22.270 1.00 71.27 C +ATOM 1588 CE1 TYR A 240 -2.815 47.380 24.684 1.00 73.47 C +ATOM 1589 CE2 TYR A 240 -3.161 49.393 23.439 1.00 72.15 C +ATOM 1590 CZ TYR A 240 -2.953 48.748 24.643 1.00 79.11 C +ATOM 1591 OH TYR A 240 -2.880 49.476 25.808 1.00 79.34 O +ATOM 1592 N SER A 241 -1.769 49.100 18.858 1.00 59.83 N +ATOM 1593 CA SER A 241 -0.524 49.837 18.644 1.00 57.93 C +ATOM 1594 C SER A 241 -0.734 51.347 18.549 1.00 58.17 C +ATOM 1595 O SER A 241 -1.797 51.861 18.883 1.00 57.48 O +ATOM 1596 CB SER A 241 0.193 49.332 17.396 1.00 61.34 C +ATOM 1597 OG SER A 241 -0.255 50.016 16.241 1.00 70.31 O +ATOM 1598 N VAL A 242 0.298 52.049 18.094 1.00 52.36 N +ATOM 1599 CA VAL A 242 0.240 53.497 17.950 1.00 50.93 C +ATOM 1600 C VAL A 242 -0.894 53.899 17.023 1.00 50.43 C +ATOM 1601 O VAL A 242 -1.463 54.984 17.147 1.00 49.95 O +ATOM 1602 CB VAL A 242 1.580 54.064 17.471 1.00 55.18 C +ATOM 1603 CG1 VAL A 242 1.909 53.541 16.079 1.00 55.11 C +ATOM 1604 CG2 VAL A 242 1.553 55.581 17.489 1.00 55.09 C +ATOM 1605 N GLN A 243 -1.226 53.014 16.094 1.00 44.05 N +ATOM 1606 CA GLN A 243 -2.308 53.271 15.157 1.00 42.44 C +ATOM 1607 C GLN A 243 -3.591 53.576 15.912 1.00 42.90 C +ATOM 1608 O GLN A 243 -4.398 54.403 15.483 1.00 42.11 O +ATOM 1609 CB GLN A 243 -2.509 52.063 14.244 1.00 43.78 C +ATOM 1610 CG GLN A 243 -1.345 51.831 13.297 1.00 49.95 C +ATOM 1611 CD GLN A 243 -1.084 53.029 12.418 1.00 61.11 C +ATOM 1612 OE1 GLN A 243 -0.162 53.804 12.663 1.00 54.75 O +ATOM 1613 NE2 GLN A 243 -1.920 53.211 11.407 1.00 55.18 N +ATOM 1614 N SER A 244 -3.762 52.918 17.053 1.00 36.96 N +ATOM 1615 CA SER A 244 -4.949 53.106 17.877 1.00 35.77 C +ATOM 1616 C SER A 244 -5.043 54.537 18.421 1.00 36.25 C +ATOM 1617 O SER A 244 -6.137 55.088 18.550 1.00 34.94 O +ATOM 1618 CB SER A 244 -4.975 52.093 19.017 1.00 39.83 C +ATOM 1619 OG SER A 244 -6.174 52.208 19.762 1.00 52.06 O +ATOM 1620 N ASP A 245 -3.893 55.137 18.711 1.00 30.95 N +ATOM 1621 CA ASP A 245 -3.847 56.519 19.207 1.00 30.05 C +ATOM 1622 C ASP A 245 -4.190 57.502 18.073 1.00 32.64 C +ATOM 1623 O ASP A 245 -4.712 58.591 18.313 1.00 31.52 O +ATOM 1624 CB ASP A 245 -2.456 56.837 19.759 1.00 31.76 C +ATOM 1625 CG ASP A 245 -2.186 56.162 21.104 1.00 38.07 C +ATOM 1626 OD1 ASP A 245 -3.162 55.753 21.789 1.00 35.80 O +ATOM 1627 OD2 ASP A 245 -1.001 56.057 21.478 1.00 43.79 O +ATOM 1628 N ILE A 246 -3.880 57.109 16.840 1.00 28.75 N +ATOM 1629 CA ILE A 246 -4.159 57.944 15.675 1.00 27.57 C +ATOM 1630 C ILE A 246 -5.663 58.049 15.461 1.00 30.68 C +ATOM 1631 O ILE A 246 -6.174 59.118 15.126 1.00 30.73 O +ATOM 1632 CB ILE A 246 -3.424 57.442 14.422 1.00 30.51 C +ATOM 1633 CG1 ILE A 246 -1.909 57.686 14.558 1.00 31.12 C +ATOM 1634 CG2 ILE A 246 -3.983 58.122 13.160 1.00 30.07 C +ATOM 1635 CD1 ILE A 246 -1.085 57.010 13.490 1.00 41.90 C +ATOM 1636 N TRP A 247 -6.379 56.954 15.705 1.00 26.72 N +ATOM 1637 CA TRP A 247 -7.841 56.963 15.574 1.00 27.17 C +ATOM 1638 C TRP A 247 -8.407 57.901 16.617 1.00 30.73 C +ATOM 1639 O TRP A 247 -9.305 58.685 16.337 1.00 30.29 O +ATOM 1640 CB TRP A 247 -8.428 55.549 15.790 1.00 26.62 C +ATOM 1641 CG TRP A 247 -9.913 55.556 16.175 1.00 28.01 C +ATOM 1642 CD1 TRP A 247 -10.448 55.870 17.398 1.00 30.80 C +ATOM 1643 CD2 TRP A 247 -11.026 55.265 15.320 1.00 28.04 C +ATOM 1644 NE1 TRP A 247 -11.814 55.793 17.352 1.00 30.35 N +ATOM 1645 CE2 TRP A 247 -12.197 55.429 16.087 1.00 32.02 C +ATOM 1646 CE3 TRP A 247 -11.146 54.886 13.975 1.00 29.58 C +ATOM 1647 CZ2 TRP A 247 -13.464 55.225 15.563 1.00 31.80 C +ATOM 1648 CZ3 TRP A 247 -12.407 54.698 13.452 1.00 31.45 C +ATOM 1649 CH2 TRP A 247 -13.552 54.868 14.245 1.00 32.27 C +ATOM 1650 N SER A 248 -7.898 57.789 17.843 1.00 27.55 N +ATOM 1651 CA SER A 248 -8.383 58.614 18.953 1.00 26.77 C +ATOM 1652 C SER A 248 -8.178 60.074 18.650 1.00 30.53 C +ATOM 1653 O SER A 248 -9.045 60.901 18.920 1.00 31.38 O +ATOM 1654 CB SER A 248 -7.684 58.222 20.256 1.00 28.87 C +ATOM 1655 OG SER A 248 -8.003 56.873 20.600 1.00 35.56 O +ATOM 1656 N MET A 249 -7.031 60.398 18.072 1.00 26.20 N +ATOM 1657 CA MET A 249 -6.758 61.771 17.710 1.00 25.20 C +ATOM 1658 C MET A 249 -7.742 62.229 16.657 1.00 28.75 C +ATOM 1659 O MET A 249 -8.334 63.307 16.773 1.00 27.83 O +ATOM 1660 CB MET A 249 -5.336 61.927 17.182 1.00 26.85 C +ATOM 1661 CG MET A 249 -5.071 63.309 16.618 1.00 29.39 C +ATOM 1662 SD MET A 249 -3.445 63.465 15.912 1.00 32.78 S +ATOM 1663 CE MET A 249 -3.717 62.625 14.339 1.00 29.90 C +ATOM 1664 N GLY A 250 -7.930 61.407 15.623 1.00 25.66 N +ATOM 1665 CA GLY A 250 -8.860 61.752 14.535 1.00 25.42 C +ATOM 1666 C GLY A 250 -10.273 62.009 15.066 1.00 28.92 C +ATOM 1667 O GLY A 250 -10.964 62.950 14.635 1.00 27.48 O +ATOM 1668 N LEU A 251 -10.708 61.171 15.993 1.00 27.22 N +ATOM 1669 CA LEU A 251 -12.053 61.312 16.575 1.00 27.04 C +ATOM 1670 C LEU A 251 -12.147 62.604 17.412 1.00 28.82 C +ATOM 1671 O LEU A 251 -13.147 63.334 17.362 1.00 26.83 O +ATOM 1672 CB LEU A 251 -12.374 60.091 17.444 1.00 27.42 C +ATOM 1673 CG LEU A 251 -13.792 60.022 18.020 1.00 33.03 C +ATOM 1674 CD1 LEU A 251 -14.839 60.110 16.916 1.00 34.24 C +ATOM 1675 CD2 LEU A 251 -13.984 58.769 18.848 1.00 35.44 C +ATOM 1676 N SER A 252 -11.100 62.870 18.178 1.00 25.25 N +ATOM 1677 CA SER A 252 -11.047 64.068 19.020 1.00 24.93 C +ATOM 1678 C SER A 252 -11.115 65.321 18.140 1.00 28.08 C +ATOM 1679 O SER A 252 -11.806 66.288 18.469 1.00 28.57 O +ATOM 1680 CB SER A 252 -9.749 64.076 19.851 1.00 27.02 C +ATOM 1681 OG SER A 252 -9.701 62.956 20.724 1.00 28.50 O +ATOM 1682 N LEU A 253 -10.409 65.288 17.012 1.00 23.75 N +ATOM 1683 CA LEU A 253 -10.392 66.424 16.083 1.00 23.28 C +ATOM 1684 C LEU A 253 -11.783 66.696 15.523 1.00 27.82 C +ATOM 1685 O LEU A 253 -12.203 67.847 15.413 1.00 27.53 O +ATOM 1686 CB LEU A 253 -9.386 66.186 14.951 1.00 23.25 C +ATOM 1687 CG LEU A 253 -7.914 66.250 15.375 1.00 26.78 C +ATOM 1688 CD1 LEU A 253 -6.988 65.683 14.273 1.00 26.74 C +ATOM 1689 CD2 LEU A 253 -7.552 67.700 15.694 1.00 24.90 C +ATOM 1690 N VAL A 254 -12.510 65.642 15.171 1.00 25.36 N +ATOM 1691 CA VAL A 254 -13.871 65.837 14.638 1.00 25.05 C +ATOM 1692 C VAL A 254 -14.774 66.464 15.694 1.00 28.74 C +ATOM 1693 O VAL A 254 -15.511 67.401 15.416 1.00 29.61 O +ATOM 1694 CB VAL A 254 -14.467 64.539 14.062 1.00 28.56 C +ATOM 1695 CG1 VAL A 254 -15.943 64.764 13.659 1.00 28.06 C +ATOM 1696 CG2 VAL A 254 -13.642 64.068 12.846 1.00 28.49 C +ATOM 1697 N GLU A 255 -14.705 65.955 16.916 1.00 24.63 N +ATOM 1698 CA GLU A 255 -15.526 66.503 17.994 1.00 24.12 C +ATOM 1699 C GLU A 255 -15.262 67.988 18.161 1.00 28.02 C +ATOM 1700 O GLU A 255 -16.189 68.790 18.267 1.00 27.91 O +ATOM 1701 CB GLU A 255 -15.239 65.791 19.308 1.00 25.36 C +ATOM 1702 CG GLU A 255 -15.911 66.465 20.510 1.00 31.45 C +ATOM 1703 CD GLU A 255 -15.811 65.649 21.769 1.00 38.36 C +ATOM 1704 OE1 GLU A 255 -15.187 64.580 21.738 1.00 35.06 O +ATOM 1705 OE2 GLU A 255 -16.360 66.076 22.794 1.00 36.93 O +ATOM 1706 N MET A 256 -13.988 68.355 18.209 1.00 24.52 N +ATOM 1707 CA MET A 256 -13.616 69.753 18.396 1.00 24.30 C +ATOM 1708 C MET A 256 -14.006 70.643 17.222 1.00 27.23 C +ATOM 1709 O MET A 256 -14.384 71.811 17.412 1.00 27.16 O +ATOM 1710 CB MET A 256 -12.123 69.864 18.707 1.00 26.95 C +ATOM 1711 CG MET A 256 -11.730 69.166 19.999 1.00 30.82 C +ATOM 1712 SD MET A 256 -10.000 69.385 20.392 1.00 36.01 S +ATOM 1713 CE MET A 256 -9.229 68.272 19.232 1.00 32.71 C +ATOM 1714 N ALA A 257 -13.941 70.098 16.007 1.00 23.88 N +ATOM 1715 CA ALA A 257 -14.313 70.858 14.811 1.00 24.16 C +ATOM 1716 C ALA A 257 -15.802 71.119 14.765 1.00 28.84 C +ATOM 1717 O ALA A 257 -16.239 72.187 14.352 1.00 28.10 O +ATOM 1718 CB ALA A 257 -13.876 70.105 13.525 1.00 25.08 C +ATOM 1719 N VAL A 258 -16.586 70.111 15.120 1.00 27.46 N +ATOM 1720 CA VAL A 258 -18.035 70.238 15.061 1.00 28.44 C +ATOM 1721 C VAL A 258 -18.672 70.660 16.381 1.00 32.80 C +ATOM 1722 O VAL A 258 -19.801 71.144 16.400 1.00 31.74 O +ATOM 1723 CB VAL A 258 -18.720 68.989 14.399 1.00 32.90 C +ATOM 1724 CG1 VAL A 258 -18.070 68.687 13.049 1.00 32.78 C +ATOM 1725 CG2 VAL A 258 -18.642 67.770 15.311 1.00 32.93 C +ATOM 1726 N GLY A 259 -17.936 70.499 17.481 1.00 31.06 N +ATOM 1727 CA GLY A 259 -18.431 70.920 18.800 1.00 32.02 C +ATOM 1728 C GLY A 259 -19.328 69.907 19.503 1.00 37.70 C +ATOM 1729 O GLY A 259 -20.105 70.262 20.377 1.00 37.63 O +ATOM 1730 N ARG A 260 -19.199 68.646 19.139 1.00 35.13 N +ATOM 1731 CA ARG A 260 -19.987 67.597 19.769 1.00 35.27 C +ATOM 1732 C ARG A 260 -19.351 66.266 19.464 1.00 36.64 C +ATOM 1733 O ARG A 260 -18.817 66.077 18.370 1.00 35.26 O +ATOM 1734 CB ARG A 260 -21.418 67.604 19.216 1.00 37.74 C +ATOM 1735 CG ARG A 260 -21.591 66.732 17.984 1.00 51.20 C +ATOM 1736 CD ARG A 260 -22.980 66.890 17.358 1.00 64.31 C +ATOM 1737 NE ARG A 260 -23.822 65.713 17.580 1.00 71.22 N +ATOM 1738 CZ ARG A 260 -23.559 64.499 17.102 1.00 83.34 C +ATOM 1739 NH1 ARG A 260 -22.475 64.289 16.368 1.00 73.21 N +ATOM 1740 NH2 ARG A 260 -24.380 63.494 17.359 1.00 67.91 N +ATOM 1741 N TYR A 261 -19.403 65.344 20.425 1.00 32.54 N +ATOM 1742 CA TYR A 261 -18.888 63.996 20.208 1.00 32.50 C +ATOM 1743 C TYR A 261 -19.647 63.530 18.978 1.00 38.60 C +ATOM 1744 O TYR A 261 -20.873 63.584 18.952 1.00 38.90 O +ATOM 1745 CB TYR A 261 -19.197 63.102 21.410 1.00 32.76 C +ATOM 1746 CG TYR A 261 -18.737 61.668 21.244 1.00 32.59 C +ATOM 1747 CD1 TYR A 261 -17.404 61.329 21.377 1.00 34.08 C +ATOM 1748 CD2 TYR A 261 -19.643 60.657 20.962 1.00 32.75 C +ATOM 1749 CE1 TYR A 261 -16.980 60.028 21.221 1.00 33.84 C +ATOM 1750 CE2 TYR A 261 -19.226 59.349 20.804 1.00 33.38 C +ATOM 1751 CZ TYR A 261 -17.896 59.040 20.944 1.00 38.53 C +ATOM 1752 OH TYR A 261 -17.477 57.741 20.797 1.00 37.01 O +ATOM 1753 N PRO A 262 -18.910 63.196 17.923 1.00 36.61 N +ATOM 1754 CA PRO A 262 -19.495 62.892 16.620 1.00 37.34 C +ATOM 1755 C PRO A 262 -20.203 61.563 16.389 1.00 43.59 C +ATOM 1756 O PRO A 262 -20.528 61.233 15.245 1.00 44.33 O +ATOM 1757 CB PRO A 262 -18.297 63.007 15.681 1.00 38.79 C +ATOM 1758 CG PRO A 262 -17.149 62.520 16.503 1.00 42.46 C +ATOM 1759 CD PRO A 262 -17.473 62.869 17.963 1.00 38.08 C +ATOM 1760 N ILE A 263 -20.442 60.796 17.441 1.00 40.89 N +ATOM 1761 CA ILE A 263 -21.119 59.510 17.273 1.00 41.45 C +ATOM 1762 C ILE A 263 -22.365 59.426 18.137 1.00 46.49 C +ATOM 1763 O ILE A 263 -22.293 59.614 19.343 1.00 45.43 O +ATOM 1764 CB ILE A 263 -20.171 58.321 17.531 1.00 44.80 C +ATOM 1765 CG1 ILE A 263 -18.997 58.355 16.555 1.00 45.31 C +ATOM 1766 CG2 ILE A 263 -20.924 57.000 17.414 1.00 45.91 C +ATOM 1767 CD1 ILE A 263 -17.995 57.257 16.777 1.00 51.71 C +ATOM 1768 N PRO A 264 -23.512 59.157 17.516 1.00 45.24 N +ATOM 1769 CA PRO A 264 -23.596 58.923 16.082 1.00 45.73 C +ATOM 1770 C PRO A 264 -23.641 60.237 15.318 1.00 51.37 C +ATOM 1771 O PRO A 264 -23.878 61.293 15.900 1.00 50.51 O +ATOM 1772 CB PRO A 264 -24.936 58.206 15.941 1.00 47.46 C +ATOM 1773 CG PRO A 264 -25.793 58.818 17.018 1.00 51.82 C +ATOM 1774 CD PRO A 264 -24.846 59.328 18.116 1.00 47.36 C +ATOM 1775 N PRO A 265 -23.431 60.160 14.007 1.00 50.03 N +ATOM 1776 CA PRO A 265 -23.408 61.348 13.155 1.00 50.83 C +ATOM 1777 C PRO A 265 -24.617 62.261 13.341 1.00 58.33 C +ATOM 1778 O PRO A 265 -25.713 61.809 13.673 1.00 57.50 O +ATOM 1779 CB PRO A 265 -23.389 60.763 11.735 1.00 52.29 C +ATOM 1780 CG PRO A 265 -22.971 59.336 11.905 1.00 56.14 C +ATOM 1781 CD PRO A 265 -23.530 58.925 13.213 1.00 51.58 C +ATOM 1782 N PRO A 266 -24.402 63.554 13.119 1.00 58.39 N +ATOM 1783 CA PRO A 266 -25.461 64.551 13.250 1.00 59.55 C +ATOM 1784 C PRO A 266 -26.379 64.526 12.033 1.00 67.39 C +ATOM 1785 O PRO A 266 -25.917 64.424 10.898 1.00 66.97 O +ATOM 1786 CB PRO A 266 -24.692 65.879 13.282 1.00 61.09 C +ATOM 1787 CG PRO A 266 -23.316 65.518 13.732 1.00 65.20 C +ATOM 1788 CD PRO A 266 -23.058 64.156 13.173 1.00 60.37 C +ATOM 1789 N ASP A 267 -27.680 64.631 12.277 1.00 67.01 N +ATOM 1790 CA ASP A 267 -28.657 64.647 11.196 1.00 68.18 C +ATOM 1791 C ASP A 267 -28.441 65.893 10.347 1.00 73.96 C +ATOM 1792 O ASP A 267 -27.566 66.707 10.640 1.00 73.61 O +ATOM 1793 CB ASP A 267 -30.080 64.663 11.767 1.00 70.40 C +ATOM 1794 CG ASP A 267 -30.393 63.427 12.590 1.00 83.55 C +ATOM 1795 OD1 ASP A 267 -29.928 62.325 12.216 1.00 84.46 O +ATOM 1796 OD2 ASP A 267 -31.109 63.556 13.607 1.00 90.40 O +ATOM 1797 N ALA A 268 -29.249 66.047 9.305 1.00 71.91 N +ATOM 1798 CA ALA A 268 -29.155 67.218 8.444 1.00 72.44 C +ATOM 1799 C ALA A 268 -29.742 68.408 9.190 1.00 77.65 C +ATOM 1800 O ALA A 268 -29.445 69.560 8.882 1.00 77.26 O +ATOM 1801 CB ALA A 268 -29.909 66.981 7.138 1.00 73.22 C +ATOM 1802 N LYS A 269 -30.572 68.111 10.186 1.00 75.25 N +ATOM 1803 CA LYS A 269 -31.210 69.139 10.993 1.00 75.39 C +ATOM 1804 C LYS A 269 -30.206 69.790 11.933 1.00 79.38 C +ATOM 1805 O LYS A 269 -30.101 71.016 11.995 1.00 78.91 O +ATOM 1806 CB LYS A 269 -32.369 68.541 11.796 1.00 78.18 C +ATOM 1807 CG LYS A 269 -33.118 69.548 12.655 1.00 95.39 C +ATOM 1808 CD LYS A 269 -34.383 68.938 13.242 1.00106.77 C +ATOM 1809 CE LYS A 269 -34.979 69.832 14.318 1.00119.28 C +ATOM 1810 NZ LYS A 269 -36.209 69.240 14.913 1.00129.06 N +ATOM 1811 N GLU A 270 -29.469 68.961 12.667 1.00 76.12 N +ATOM 1812 CA GLU A 270 -28.470 69.453 13.608 1.00 75.98 C +ATOM 1813 C GLU A 270 -27.374 70.228 12.885 1.00 79.49 C +ATOM 1814 O GLU A 270 -26.972 71.305 13.322 1.00 79.09 O +ATOM 1815 CB GLU A 270 -27.860 68.296 14.403 1.00 77.39 C +ATOM 1816 CG GLU A 270 -28.333 66.919 13.963 1.00 89.14 C +ATOM 1817 CD GLU A 270 -28.100 65.858 15.024 1.00111.70 C +ATOM 1818 OE1 GLU A 270 -27.722 66.225 16.159 1.00105.98 O +ATOM 1819 OE2 GLU A 270 -28.292 64.659 14.723 1.00105.77 O +ATOM 1820 N LEU A 271 -26.899 69.674 11.774 1.00 75.74 N +ATOM 1821 CA LEU A 271 -25.846 70.307 10.989 1.00 75.30 C +ATOM 1822 C LEU A 271 -26.235 71.711 10.541 1.00 78.66 C +ATOM 1823 O LEU A 271 -25.411 72.626 10.547 1.00 77.85 O +ATOM 1824 CB LEU A 271 -25.500 69.450 9.771 1.00 75.31 C +ATOM 1825 CG LEU A 271 -24.443 68.369 9.988 1.00 79.97 C +ATOM 1826 CD1 LEU A 271 -24.332 67.476 8.761 1.00 80.16 C +ATOM 1827 CD2 LEU A 271 -23.097 68.995 10.328 1.00 82.23 C +ATOM 1828 N GLU A 272 -27.494 71.873 10.147 1.00 75.34 N +ATOM 1829 CA GLU A 272 -27.992 73.161 9.678 1.00 75.25 C +ATOM 1830 C GLU A 272 -28.023 74.216 10.785 1.00 79.08 C +ATOM 1831 O GLU A 272 -27.938 75.413 10.515 1.00 78.68 O +ATOM 1832 CB GLU A 272 -29.376 73.004 9.049 1.00 76.68 C +ATOM 1833 CG GLU A 272 -30.096 74.317 8.794 1.00 88.53 C +ATOM 1834 CD GLU A 272 -31.563 74.256 9.170 1.00110.57 C +ATOM 1835 OE1 GLU A 272 -32.253 73.313 8.725 1.00107.07 O +ATOM 1836 OE2 GLU A 272 -32.025 75.145 9.917 1.00103.93 O +ATOM 1837 N LEU A 273 -28.143 73.767 12.030 1.00 75.53 N +ATOM 1838 CA LEU A 273 -28.179 74.685 13.165 1.00 75.27 C +ATOM 1839 C LEU A 273 -26.782 74.902 13.729 1.00 78.36 C +ATOM 1840 O LEU A 273 -26.548 75.835 14.500 1.00 78.14 O +ATOM 1841 CB LEU A 273 -29.112 74.157 14.258 1.00 75.47 C +ATOM 1842 CG LEU A 273 -30.608 74.385 14.028 1.00 80.47 C +ATOM 1843 CD1 LEU A 273 -31.368 74.349 15.345 1.00 80.76 C +ATOM 1844 CD2 LEU A 273 -30.850 75.697 13.299 1.00 83.07 C +ATOM 1845 N MET A 274 -25.855 74.034 13.340 1.00 73.98 N +ATOM 1846 CA MET A 274 -24.479 74.121 13.807 1.00 73.25 C +ATOM 1847 C MET A 274 -23.667 75.107 12.971 1.00 76.26 C +ATOM 1848 O MET A 274 -22.960 75.960 13.512 1.00 75.68 O +ATOM 1849 CB MET A 274 -23.820 72.737 13.786 1.00 75.52 C +ATOM 1850 CG MET A 274 -24.535 71.699 14.637 1.00 79.07 C +ATOM 1851 SD MET A 274 -23.845 70.033 14.476 1.00 83.16 S +ATOM 1852 CE MET A 274 -23.146 69.804 16.097 1.00 79.89 C +ATOM 1853 N PHE A 275 -23.773 74.987 11.651 1.00 72.24 N +ATOM 1854 CA PHE A 275 -23.038 75.860 10.744 1.00 71.70 C +ATOM 1855 C PHE A 275 -23.970 76.667 9.852 1.00 76.48 C +ATOM 1856 O PHE A 275 -23.525 77.329 8.913 1.00 75.88 O +ATOM 1857 CB PHE A 275 -22.070 75.043 9.883 1.00 72.93 C +ATOM 1858 CG PHE A 275 -21.196 74.109 10.672 1.00 73.80 C +ATOM 1859 CD1 PHE A 275 -21.659 72.863 11.059 1.00 76.42 C +ATOM 1860 CD2 PHE A 275 -19.911 74.479 11.029 1.00 75.36 C +ATOM 1861 CE1 PHE A 275 -20.857 72.005 11.788 1.00 77.05 C +ATOM 1862 CE2 PHE A 275 -19.107 73.624 11.756 1.00 77.90 C +ATOM 1863 CZ PHE A 275 -19.581 72.385 12.134 1.00 75.92 C +ATOM 1864 N GLY A 276 -25.265 76.610 10.148 1.00 73.94 N +ATOM 1865 CA GLY A 276 -26.259 77.327 9.359 1.00 74.04 C +ATOM 1866 C GLY A 276 -26.324 76.747 7.950 1.00 78.47 C +ATOM 1867 O GLY A 276 -27.036 77.261 7.087 1.00 78.25 O +ATOM 1868 N CYS A 277 -25.568 75.674 7.726 1.00 75.25 N +ATOM 1869 CA CYS A 277 -25.526 75.018 6.424 1.00 75.03 C +ATOM 1870 N PRO A 307 -30.727 59.608 24.370 1.00 63.64 N +ATOM 1871 CA PRO A 307 -29.280 59.491 24.411 1.00 63.20 C +ATOM 1872 C PRO A 307 -28.833 58.038 24.328 1.00 65.87 C +ATOM 1873 O PRO A 307 -29.387 57.167 25.000 1.00 66.02 O +ATOM 1874 CB PRO A 307 -28.932 60.078 25.774 1.00 65.15 C +ATOM 1875 CG PRO A 307 -29.963 61.139 25.984 1.00 69.75 C +ATOM 1876 CD PRO A 307 -31.216 60.688 25.247 1.00 65.32 C +ATOM 1877 N MET A 308 -27.827 57.790 23.493 1.00 60.52 N +ATOM 1878 CA MET A 308 -27.285 56.452 23.286 1.00 59.10 C +ATOM 1879 C MET A 308 -26.450 55.985 24.478 1.00 59.61 C +ATOM 1880 O MET A 308 -25.550 56.694 24.930 1.00 59.17 O +ATOM 1881 CB MET A 308 -26.424 56.439 22.022 1.00 61.52 C +ATOM 1882 CG MET A 308 -26.273 55.081 21.375 1.00 65.26 C +ATOM 1883 SD MET A 308 -25.562 55.194 19.717 1.00 69.49 S +ATOM 1884 CE MET A 308 -24.951 53.553 19.513 1.00 66.11 C +ATOM 1885 N ALA A 309 -26.740 54.780 24.964 1.00 53.43 N +ATOM 1886 CA ALA A 309 -26.002 54.200 26.089 1.00 51.88 C +ATOM 1887 C ALA A 309 -24.563 53.870 25.689 1.00 52.21 C +ATOM 1888 O ALA A 309 -24.287 53.558 24.535 1.00 50.77 O +ATOM 1889 CB ALA A 309 -26.710 52.953 26.603 1.00 52.53 C +ATOM 1890 N ILE A 310 -23.652 53.938 26.652 1.00 47.30 N +ATOM 1891 CA ILE A 310 -22.247 53.665 26.380 1.00 46.26 C +ATOM 1892 C ILE A 310 -22.008 52.356 25.620 1.00 48.77 C +ATOM 1893 O ILE A 310 -21.210 52.315 24.684 1.00 48.46 O +ATOM 1894 CB ILE A 310 -21.381 53.767 27.643 1.00 48.90 C +ATOM 1895 CG1 ILE A 310 -19.933 53.406 27.319 1.00 49.06 C +ATOM 1896 CG2 ILE A 310 -21.942 52.888 28.758 1.00 49.02 C +ATOM 1897 CD1 ILE A 310 -19.291 54.319 26.269 1.00 54.15 C +ATOM 1898 N PHE A 311 -22.696 51.290 26.017 1.00 44.37 N +ATOM 1899 CA PHE A 311 -22.518 50.002 25.345 1.00 43.96 C +ATOM 1900 C PHE A 311 -22.989 50.033 23.887 1.00 47.51 C +ATOM 1901 O PHE A 311 -22.417 49.364 23.029 1.00 46.25 O +ATOM 1902 CB PHE A 311 -23.182 48.859 26.118 1.00 45.61 C +ATOM 1903 CG PHE A 311 -24.489 49.227 26.753 1.00 47.07 C +ATOM 1904 CD1 PHE A 311 -25.677 49.074 26.060 1.00 50.44 C +ATOM 1905 CD2 PHE A 311 -24.535 49.686 28.058 1.00 49.40 C +ATOM 1906 CE1 PHE A 311 -26.887 49.401 26.650 1.00 51.47 C +ATOM 1907 CE2 PHE A 311 -25.738 50.012 28.651 1.00 52.39 C +ATOM 1908 CZ PHE A 311 -26.918 49.862 27.947 1.00 50.51 C +ATOM 1909 N GLU A 312 -24.027 50.819 23.613 1.00 44.61 N +ATOM 1910 CA GLU A 312 -24.531 50.955 22.249 1.00 44.63 C +ATOM 1911 C GLU A 312 -23.523 51.765 21.448 1.00 48.54 C +ATOM 1912 O GLU A 312 -23.243 51.469 20.286 1.00 48.91 O +ATOM 1913 CB GLU A 312 -25.888 51.658 22.247 1.00 45.99 C +ATOM 1914 CG GLU A 312 -26.910 51.023 23.173 1.00 55.41 C +ATOM 1915 CD GLU A 312 -28.149 51.876 23.348 1.00 74.70 C +ATOM 1916 OE1 GLU A 312 -28.027 53.118 23.324 1.00 74.72 O +ATOM 1917 OE2 GLU A 312 -29.244 51.305 23.517 1.00 66.36 O +ATOM 1918 N LEU A 313 -22.958 52.773 22.094 1.00 44.37 N +ATOM 1919 CA LEU A 313 -21.961 53.624 21.473 1.00 43.72 C +ATOM 1920 C LEU A 313 -20.772 52.796 21.006 1.00 45.46 C +ATOM 1921 O LEU A 313 -20.314 52.933 19.870 1.00 44.85 O +ATOM 1922 CB LEU A 313 -21.493 54.683 22.470 1.00 44.03 C +ATOM 1923 CG LEU A 313 -21.184 56.070 21.928 1.00 49.03 C +ATOM 1924 CD1 LEU A 313 -20.459 56.906 22.983 1.00 48.82 C +ATOM 1925 CD2 LEU A 313 -20.369 55.968 20.659 1.00 52.70 C +ATOM 1926 N LEU A 314 -20.266 51.937 21.890 1.00 40.23 N +ATOM 1927 CA LEU A 314 -19.119 51.097 21.559 1.00 39.27 C +ATOM 1928 C LEU A 314 -19.441 50.124 20.428 1.00 42.97 C +ATOM 1929 O LEU A 314 -18.607 49.860 19.568 1.00 41.51 O +ATOM 1930 CB LEU A 314 -18.619 50.353 22.795 1.00 38.92 C +ATOM 1931 CG LEU A 314 -18.249 51.252 23.980 1.00 42.86 C +ATOM 1932 CD1 LEU A 314 -17.520 50.462 25.055 1.00 42.81 C +ATOM 1933 CD2 LEU A 314 -17.410 52.437 23.517 1.00 43.82 C +ATOM 1934 N ASP A 315 -20.656 49.601 20.424 1.00 41.02 N +ATOM 1935 CA ASP A 315 -21.059 48.679 19.365 1.00 41.45 C +ATOM 1936 C ASP A 315 -21.145 49.441 18.044 1.00 46.03 C +ATOM 1937 O ASP A 315 -20.687 48.964 17.003 1.00 45.62 O +ATOM 1938 CB ASP A 315 -22.399 48.029 19.691 1.00 43.70 C +ATOM 1939 CG ASP A 315 -22.817 47.013 18.646 1.00 57.93 C +ATOM 1940 OD1 ASP A 315 -22.221 45.916 18.607 1.00 58.91 O +ATOM 1941 OD2 ASP A 315 -23.717 47.328 17.839 1.00 66.46 O +ATOM 1942 N TYR A 316 -21.712 50.642 18.101 1.00 43.64 N +ATOM 1943 CA TYR A 316 -21.835 51.489 16.920 1.00 43.99 C +ATOM 1944 C TYR A 316 -20.467 51.709 16.288 1.00 47.20 C +ATOM 1945 O TYR A 316 -20.288 51.525 15.081 1.00 47.54 O +ATOM 1946 CB TYR A 316 -22.460 52.835 17.299 1.00 46.11 C +ATOM 1947 CG TYR A 316 -22.949 53.644 16.115 1.00 49.46 C +ATOM 1948 CD1 TYR A 316 -22.059 54.352 15.322 1.00 51.64 C +ATOM 1949 CD2 TYR A 316 -24.308 53.710 15.803 1.00 50.83 C +ATOM 1950 CE1 TYR A 316 -22.501 55.103 14.237 1.00 53.41 C +ATOM 1951 CE2 TYR A 316 -24.762 54.458 14.718 1.00 52.11 C +ATOM 1952 CZ TYR A 316 -23.851 55.150 13.939 1.00 60.54 C +ATOM 1953 OH TYR A 316 -24.289 55.890 12.863 1.00 62.26 O +ATOM 1954 N ILE A 317 -19.501 52.096 17.117 1.00 42.30 N +ATOM 1955 CA ILE A 317 -18.135 52.351 16.670 1.00 41.39 C +ATOM 1956 C ILE A 317 -17.532 51.150 15.939 1.00 44.79 C +ATOM 1957 O ILE A 317 -16.862 51.299 14.917 1.00 44.56 O +ATOM 1958 CB ILE A 317 -17.239 52.766 17.860 1.00 44.19 C +ATOM 1959 CG1 ILE A 317 -17.611 54.170 18.351 1.00 44.41 C +ATOM 1960 CG2 ILE A 317 -15.770 52.673 17.484 1.00 43.97 C +ATOM 1961 CD1 ILE A 317 -17.105 54.483 19.753 1.00 51.25 C +ATOM 1962 N VAL A 318 -17.743 49.962 16.488 1.00 40.28 N +ATOM 1963 CA VAL A 318 -17.188 48.752 15.905 1.00 39.43 C +ATOM 1964 C VAL A 318 -17.882 48.321 14.615 1.00 42.21 C +ATOM 1965 O VAL A 318 -17.240 47.817 13.693 1.00 41.32 O +ATOM 1966 CB VAL A 318 -17.192 47.594 16.926 1.00 43.26 C +ATOM 1967 CG1 VAL A 318 -16.837 46.270 16.239 1.00 42.77 C +ATOM 1968 CG2 VAL A 318 -16.247 47.891 18.077 1.00 42.93 C +ATOM 1969 N ASN A 319 -19.198 48.496 14.563 1.00 39.10 N +ATOM 1970 CA ASN A 319 -19.984 48.021 13.435 1.00 39.00 C +ATOM 1971 C ASN A 319 -20.348 49.003 12.335 1.00 42.74 C +ATOM 1972 O ASN A 319 -20.679 48.583 11.223 1.00 42.13 O +ATOM 1973 CB ASN A 319 -21.238 47.319 13.939 1.00 40.55 C +ATOM 1974 CG ASN A 319 -20.919 46.113 14.784 1.00 62.44 C +ATOM 1975 OD1 ASN A 319 -20.051 45.317 14.439 1.00 57.72 O +ATOM 1976 ND2 ASN A 319 -21.602 45.984 15.912 1.00 56.23 N +ATOM 1977 N GLU A 320 -20.321 50.296 12.639 1.00 38.79 N +ATOM 1978 CA GLU A 320 -20.696 51.311 11.655 1.00 38.17 C +ATOM 1979 C GLU A 320 -19.503 52.027 11.034 1.00 41.93 C +ATOM 1980 O GLU A 320 -18.380 51.917 11.517 1.00 41.15 O +ATOM 1981 CB GLU A 320 -21.663 52.323 12.268 1.00 39.59 C +ATOM 1982 CG GLU A 320 -22.957 51.709 12.762 1.00 49.33 C +ATOM 1983 CD GLU A 320 -23.603 50.809 11.726 1.00 70.51 C +ATOM 1984 OE1 GLU A 320 -23.430 51.077 10.518 1.00 57.86 O +ATOM 1985 OE2 GLU A 320 -24.280 49.834 12.120 1.00 65.51 O +ATOM 1986 N PRO A 321 -19.753 52.760 9.949 1.00 38.47 N +ATOM 1987 CA PRO A 321 -18.682 53.494 9.272 1.00 37.75 C +ATOM 1988 C PRO A 321 -18.180 54.610 10.187 1.00 38.72 C +ATOM 1989 O PRO A 321 -18.928 55.137 11.001 1.00 37.51 O +ATOM 1990 CB PRO A 321 -19.383 54.082 8.037 1.00 40.05 C +ATOM 1991 CG PRO A 321 -20.580 53.182 7.817 1.00 44.84 C +ATOM 1992 CD PRO A 321 -21.021 52.799 9.195 1.00 40.29 C +ATOM 1993 N PRO A 322 -16.908 54.951 10.060 1.00 35.28 N +ATOM 1994 CA PRO A 322 -16.319 55.991 10.900 1.00 34.77 C +ATOM 1995 C PRO A 322 -16.950 57.350 10.627 1.00 37.36 C +ATOM 1996 O PRO A 322 -17.469 57.599 9.543 1.00 37.33 O +ATOM 1997 CB PRO A 322 -14.850 55.988 10.480 1.00 36.59 C +ATOM 1998 CG PRO A 322 -14.861 55.452 9.088 1.00 41.41 C +ATOM 1999 CD PRO A 322 -15.951 54.435 9.065 1.00 37.13 C +ATOM 2000 N PRO A 323 -16.927 58.224 11.624 1.00 32.63 N +ATOM 2001 CA PRO A 323 -17.492 59.560 11.454 1.00 31.96 C +ATOM 2002 C PRO A 323 -16.614 60.364 10.499 1.00 33.94 C +ATOM 2003 O PRO A 323 -15.491 59.978 10.202 1.00 32.70 O +ATOM 2004 CB PRO A 323 -17.418 60.159 12.868 1.00 33.68 C +ATOM 2005 CG PRO A 323 -16.402 59.349 13.581 1.00 38.13 C +ATOM 2006 CD PRO A 323 -16.505 57.976 13.013 1.00 33.92 C +ATOM 2007 N LYS A 324 -17.132 61.484 10.029 1.00 30.34 N +ATOM 2008 CA LYS A 324 -16.388 62.344 9.130 1.00 30.44 C +ATOM 2009 C LYS A 324 -16.858 63.774 9.321 1.00 34.23 C +ATOM 2010 O LYS A 324 -17.925 64.008 9.882 1.00 34.37 O +ATOM 2011 CB LYS A 324 -16.617 61.913 7.672 1.00 33.34 C +ATOM 2012 CG LYS A 324 -18.033 62.149 7.180 1.00 43.66 C +ATOM 2013 CD LYS A 324 -18.344 61.292 5.961 1.00 55.45 C +ATOM 2014 CE LYS A 324 -19.498 61.876 5.160 1.00 66.12 C +ATOM 2015 NZ LYS A 324 -20.067 63.086 5.821 1.00 77.30 N +ATOM 2016 N LEU A 325 -16.067 64.731 8.852 1.00 30.02 N +ATOM 2017 CA LEU A 325 -16.444 66.137 8.955 1.00 29.50 C +ATOM 2018 C LEU A 325 -17.482 66.441 7.898 1.00 35.34 C +ATOM 2019 O LEU A 325 -17.502 65.808 6.845 1.00 35.10 O +ATOM 2020 CB LEU A 325 -15.224 67.026 8.704 1.00 29.10 C +ATOM 2021 CG LEU A 325 -14.120 66.993 9.759 1.00 32.30 C +ATOM 2022 CD1 LEU A 325 -12.833 67.593 9.187 1.00 31.59 C +ATOM 2023 CD2 LEU A 325 -14.586 67.769 11.004 1.00 33.24 C +ATOM 2024 N PRO A 326 -18.319 67.439 8.148 1.00 33.97 N +ATOM 2025 CA PRO A 326 -19.307 67.841 7.154 1.00 34.13 C +ATOM 2026 C PRO A 326 -18.552 68.474 5.988 1.00 38.96 C +ATOM 2027 O PRO A 326 -17.476 69.051 6.171 1.00 37.04 O +ATOM 2028 CB PRO A 326 -20.141 68.909 7.887 1.00 35.88 C +ATOM 2029 CG PRO A 326 -19.364 69.259 9.118 1.00 40.31 C +ATOM 2030 CD PRO A 326 -18.594 68.036 9.467 1.00 35.74 C +ATOM 2031 N SER A 327 -19.093 68.345 4.784 1.00 37.56 N +ATOM 2032 CA SER A 327 -18.429 68.906 3.619 1.00 38.26 C +ATOM 2033 C SER A 327 -18.853 70.347 3.456 1.00 43.68 C +ATOM 2034 O SER A 327 -19.854 70.766 4.021 1.00 43.87 O +ATOM 2035 CB SER A 327 -18.768 68.096 2.359 1.00 42.51 C +ATOM 2036 OG SER A 327 -20.150 68.155 2.076 1.00 51.93 O +ATOM 2037 N GLY A 328 -18.076 71.115 2.703 1.00 41.01 N +ATOM 2038 CA GLY A 328 -18.416 72.516 2.457 1.00 41.01 C +ATOM 2039 C GLY A 328 -17.810 73.506 3.458 1.00 45.20 C +ATOM 2040 O GLY A 328 -17.278 74.550 3.063 1.00 46.45 O +ATOM 2041 N VAL A 329 -17.886 73.188 4.746 1.00 39.13 N +ATOM 2042 CA VAL A 329 -17.367 74.096 5.764 1.00 37.57 C +ATOM 2043 C VAL A 329 -15.908 73.892 6.157 1.00 36.91 C +ATOM 2044 O VAL A 329 -15.278 74.784 6.709 1.00 37.42 O +ATOM 2045 CB VAL A 329 -18.307 74.216 6.960 1.00 41.84 C +ATOM 2046 CG1 VAL A 329 -19.469 75.145 6.608 1.00 42.02 C +ATOM 2047 CG2 VAL A 329 -18.823 72.854 7.367 1.00 41.67 C +ATOM 2048 N PHE A 330 -15.367 72.727 5.854 1.00 28.97 N +ATOM 2049 CA PHE A 330 -13.973 72.453 6.150 1.00 26.38 C +ATOM 2050 C PHE A 330 -13.205 72.211 4.853 1.00 28.47 C +ATOM 2051 O PHE A 330 -13.787 71.795 3.864 1.00 27.71 O +ATOM 2052 CB PHE A 330 -13.865 71.254 7.090 1.00 27.69 C +ATOM 2053 CG PHE A 330 -14.415 71.524 8.458 1.00 28.23 C +ATOM 2054 CD1 PHE A 330 -13.715 72.314 9.355 1.00 30.54 C +ATOM 2055 CD2 PHE A 330 -15.661 71.059 8.821 1.00 29.38 C +ATOM 2056 CE1 PHE A 330 -14.234 72.598 10.596 1.00 30.80 C +ATOM 2057 CE2 PHE A 330 -16.178 71.332 10.080 1.00 32.26 C +ATOM 2058 CZ PHE A 330 -15.463 72.105 10.961 1.00 30.07 C +ATOM 2059 N SER A 331 -11.906 72.509 4.854 1.00 23.53 N +ATOM 2060 CA SER A 331 -11.094 72.325 3.661 1.00 22.91 C +ATOM 2061 C SER A 331 -10.996 70.845 3.342 1.00 25.88 C +ATOM 2062 O SER A 331 -11.096 70.018 4.222 1.00 24.12 O +ATOM 2063 CB SER A 331 -9.701 72.899 3.865 1.00 24.45 C +ATOM 2064 OG SER A 331 -8.920 72.038 4.672 1.00 28.46 O +ATOM 2065 N LEU A 332 -10.804 70.520 2.073 1.00 23.87 N +ATOM 2066 CA LEU A 332 -10.707 69.122 1.663 1.00 23.16 C +ATOM 2067 C LEU A 332 -9.492 68.482 2.259 1.00 25.88 C +ATOM 2068 O LEU A 332 -9.480 67.288 2.519 1.00 25.57 O +ATOM 2069 CB LEU A 332 -10.684 69.006 0.140 1.00 23.35 C +ATOM 2070 CG LEU A 332 -12.061 69.152 -0.497 1.00 28.42 C +ATOM 2071 CD1 LEU A 332 -11.952 69.114 -2.030 1.00 28.51 C +ATOM 2072 CD2 LEU A 332 -12.954 68.028 0.006 1.00 32.91 C +ATOM 2073 N GLU A 333 -8.451 69.272 2.481 1.00 21.63 N +ATOM 2074 CA GLU A 333 -7.234 68.734 3.102 1.00 21.60 C +ATOM 2075 C GLU A 333 -7.476 68.307 4.547 1.00 25.49 C +ATOM 2076 O GLU A 333 -6.976 67.271 4.989 1.00 25.39 O +ATOM 2077 CB GLU A 333 -6.092 69.742 3.016 1.00 23.29 C +ATOM 2078 CG GLU A 333 -5.593 69.915 1.588 1.00 30.92 C +ATOM 2079 CD GLU A 333 -4.580 71.020 1.445 1.00 49.28 C +ATOM 2080 OE1 GLU A 333 -4.554 71.912 2.307 1.00 41.76 O +ATOM 2081 OE2 GLU A 333 -3.816 71.001 0.458 1.00 44.60 O +ATOM 2082 N PHE A 334 -8.258 69.093 5.282 1.00 21.72 N +ATOM 2083 CA PHE A 334 -8.578 68.745 6.670 1.00 21.21 C +ATOM 2084 C PHE A 334 -9.462 67.500 6.684 1.00 25.11 C +ATOM 2085 O PHE A 334 -9.240 66.571 7.475 1.00 24.45 O +ATOM 2086 CB PHE A 334 -9.292 69.914 7.369 1.00 23.00 C +ATOM 2087 CG PHE A 334 -9.549 69.684 8.838 1.00 23.94 C +ATOM 2088 CD1 PHE A 334 -8.706 68.882 9.595 1.00 26.02 C +ATOM 2089 CD2 PHE A 334 -10.651 70.273 9.462 1.00 25.58 C +ATOM 2090 CE1 PHE A 334 -8.938 68.678 10.945 1.00 26.57 C +ATOM 2091 CE2 PHE A 334 -10.901 70.059 10.818 1.00 28.15 C +ATOM 2092 CZ PHE A 334 -10.047 69.270 11.560 1.00 26.39 C +ATOM 2093 N GLN A 335 -10.459 67.473 5.805 1.00 22.85 N +ATOM 2094 CA GLN A 335 -11.351 66.304 5.726 1.00 22.92 C +ATOM 2095 C GLN A 335 -10.554 65.053 5.387 1.00 27.15 C +ATOM 2096 O GLN A 335 -10.790 63.982 5.952 1.00 28.06 O +ATOM 2097 CB GLN A 335 -12.428 66.508 4.671 1.00 24.30 C +ATOM 2098 CG GLN A 335 -13.363 67.651 4.941 1.00 27.44 C +ATOM 2099 CD GLN A 335 -14.342 67.848 3.813 1.00 34.53 C +ATOM 2100 OE1 GLN A 335 -14.980 66.910 3.375 1.00 30.65 O +ATOM 2101 NE2 GLN A 335 -14.423 69.063 3.304 1.00 26.69 N +ATOM 2102 N ASP A 336 -9.608 65.179 4.467 1.00 23.97 N +ATOM 2103 CA ASP A 336 -8.797 64.016 4.082 1.00 23.24 C +ATOM 2104 C ASP A 336 -7.948 63.514 5.250 1.00 27.55 C +ATOM 2105 O ASP A 336 -7.812 62.300 5.465 1.00 27.26 O +ATOM 2106 CB ASP A 336 -7.920 64.319 2.864 1.00 24.22 C +ATOM 2107 CG ASP A 336 -7.207 63.066 2.335 1.00 28.18 C +ATOM 2108 OD1 ASP A 336 -7.899 62.153 1.838 1.00 26.81 O +ATOM 2109 OD2 ASP A 336 -5.979 62.973 2.498 1.00 29.65 O +ATOM 2110 N PHE A 337 -7.359 64.450 5.985 1.00 23.46 N +ATOM 2111 CA PHE A 337 -6.527 64.127 7.145 1.00 23.10 C +ATOM 2112 C PHE A 337 -7.311 63.332 8.192 1.00 26.72 C +ATOM 2113 O PHE A 337 -6.878 62.269 8.618 1.00 25.71 O +ATOM 2114 CB PHE A 337 -5.962 65.420 7.762 1.00 24.13 C +ATOM 2115 CG PHE A 337 -5.096 65.195 8.965 1.00 24.84 C +ATOM 2116 CD1 PHE A 337 -3.760 64.859 8.818 1.00 27.11 C +ATOM 2117 CD2 PHE A 337 -5.603 65.387 10.254 1.00 26.23 C +ATOM 2118 CE1 PHE A 337 -2.948 64.673 9.936 1.00 27.69 C +ATOM 2119 CE2 PHE A 337 -4.803 65.180 11.366 1.00 28.49 C +ATOM 2120 CZ PHE A 337 -3.466 64.842 11.202 1.00 26.13 C +ATOM 2121 N VAL A 338 -8.479 63.821 8.589 1.00 24.93 N +ATOM 2122 CA VAL A 338 -9.269 63.079 9.576 1.00 25.47 C +ATOM 2123 C VAL A 338 -9.697 61.726 9.015 1.00 30.09 C +ATOM 2124 O VAL A 338 -9.654 60.716 9.717 1.00 29.97 O +ATOM 2125 CB VAL A 338 -10.466 63.903 10.152 1.00 29.80 C +ATOM 2126 CG1 VAL A 338 -9.967 65.201 10.796 1.00 29.35 C +ATOM 2127 CG2 VAL A 338 -11.477 64.193 9.087 1.00 29.92 C +ATOM 2128 N ASN A 339 -10.062 61.695 7.730 1.00 27.63 N +ATOM 2129 CA ASN A 339 -10.469 60.440 7.096 1.00 26.78 C +ATOM 2130 C ASN A 339 -9.381 59.390 7.207 1.00 29.57 C +ATOM 2131 O ASN A 339 -9.656 58.237 7.485 1.00 29.32 O +ATOM 2132 CB ASN A 339 -10.821 60.659 5.623 1.00 28.36 C +ATOM 2133 CG ASN A 339 -12.181 61.262 5.446 1.00 34.80 C +ATOM 2134 OD1 ASN A 339 -12.881 61.516 6.416 1.00 30.78 O +ATOM 2135 ND2 ASN A 339 -12.549 61.537 4.213 1.00 30.30 N +ATOM 2136 N LYS A 340 -8.140 59.791 6.976 1.00 26.01 N +ATOM 2137 CA LYS A 340 -7.023 58.846 7.031 1.00 25.86 C +ATOM 2138 C LYS A 340 -6.706 58.394 8.460 1.00 29.79 C +ATOM 2139 O LYS A 340 -6.078 57.335 8.678 1.00 29.13 O +ATOM 2140 CB LYS A 340 -5.787 59.447 6.371 1.00 28.06 C +ATOM 2141 CG LYS A 340 -5.842 59.444 4.830 1.00 33.05 C +ATOM 2142 CD LYS A 340 -4.575 60.053 4.249 1.00 36.14 C +ATOM 2143 CE LYS A 340 -4.375 59.647 2.789 1.00 40.26 C +ATOM 2144 NZ LYS A 340 -5.500 60.081 1.935 1.00 37.25 N +ATOM 2145 N CYS A 341 -7.125 59.197 9.431 1.00 25.57 N +ATOM 2146 CA CYS A 341 -6.919 58.868 10.841 1.00 25.65 C +ATOM 2147 C CYS A 341 -8.009 57.896 11.289 1.00 30.12 C +ATOM 2148 O CYS A 341 -7.812 57.100 12.220 1.00 30.17 O +ATOM 2149 CB CYS A 341 -7.043 60.139 11.708 1.00 25.42 C +ATOM 2150 SG CYS A 341 -5.631 61.227 11.644 1.00 29.13 S +ATOM 2151 N LEU A 342 -9.171 58.013 10.663 1.00 26.33 N +ATOM 2152 CA LEU A 342 -10.344 57.249 11.060 1.00 26.91 C +ATOM 2153 C LEU A 342 -10.672 55.967 10.291 1.00 33.48 C +ATOM 2154 O LEU A 342 -11.732 55.371 10.501 1.00 33.74 O +ATOM 2155 CB LEU A 342 -11.558 58.160 11.094 1.00 26.88 C +ATOM 2156 CG LEU A 342 -11.508 59.259 12.170 1.00 30.64 C +ATOM 2157 CD1 LEU A 342 -12.622 60.271 11.946 1.00 31.47 C +ATOM 2158 CD2 LEU A 342 -11.612 58.659 13.545 1.00 31.77 C +ATOM 2159 N ILE A 343 -9.784 55.540 9.413 1.00 32.29 N +ATOM 2160 CA ILE A 343 -10.023 54.310 8.664 1.00 33.20 C +ATOM 2161 C ILE A 343 -10.120 53.162 9.678 1.00 39.66 C +ATOM 2162 O ILE A 343 -9.221 52.975 10.486 1.00 39.74 O +ATOM 2163 CB ILE A 343 -8.927 54.081 7.605 1.00 36.10 C +ATOM 2164 CG1 ILE A 343 -9.059 55.118 6.474 1.00 36.02 C +ATOM 2165 CG2 ILE A 343 -9.010 52.649 7.039 1.00 36.89 C +ATOM 2166 CD1 ILE A 343 -7.797 55.333 5.690 1.00 43.00 C +ATOM 2167 N LYS A 344 -11.240 52.436 9.668 1.00 37.52 N +ATOM 2168 CA LYS A 344 -11.453 51.331 10.627 1.00 37.97 C +ATOM 2169 C LYS A 344 -10.314 50.305 10.670 1.00 43.21 C +ATOM 2170 O LYS A 344 -9.890 49.877 11.744 1.00 41.83 O +ATOM 2171 CB LYS A 344 -12.780 50.628 10.363 1.00 40.30 C +ATOM 2172 CG LYS A 344 -13.960 51.573 10.150 1.00 51.99 C +ATOM 2173 CD LYS A 344 -14.874 51.599 11.360 1.00 58.41 C +ATOM 2174 CE LYS A 344 -15.407 50.215 11.684 1.00 63.60 C +ATOM 2175 NZ LYS A 344 -16.884 50.212 11.833 1.00 65.78 N +ATOM 2176 N ASN A 345 -9.844 49.895 9.503 1.00 41.63 N +ATOM 2177 CA ASN A 345 -8.767 48.920 9.418 1.00 42.12 C +ATOM 2178 C ASN A 345 -7.431 49.570 9.766 1.00 47.23 C +ATOM 2179 O ASN A 345 -6.900 50.364 8.997 1.00 47.14 O +ATOM 2180 CB ASN A 345 -8.730 48.307 8.009 1.00 43.86 C +ATOM 2181 CG ASN A 345 -7.636 47.264 7.846 1.00 66.54 C +ATOM 2182 OD1 ASN A 345 -6.815 47.053 8.741 1.00 58.40 O +ATOM 2183 ND2 ASN A 345 -7.618 46.611 6.688 1.00 58.62 N +ATOM 2184 N PRO A 346 -6.895 49.222 10.937 1.00 44.84 N +ATOM 2185 CA PRO A 346 -5.628 49.782 11.419 1.00 44.54 C +ATOM 2186 C PRO A 346 -4.486 49.684 10.426 1.00 48.57 C +ATOM 2187 O PRO A 346 -3.525 50.459 10.494 1.00 47.86 O +ATOM 2188 CB PRO A 346 -5.313 48.923 12.662 1.00 46.21 C +ATOM 2189 CG PRO A 346 -6.198 47.724 12.548 1.00 50.61 C +ATOM 2190 CD PRO A 346 -7.425 48.207 11.860 1.00 46.34 C +ATOM 2191 N ALA A 347 -4.561 48.705 9.533 1.00 45.77 N +ATOM 2192 CA ALA A 347 -3.512 48.513 8.538 1.00 45.60 C +ATOM 2193 C ALA A 347 -3.590 49.597 7.463 1.00 47.81 C +ATOM 2194 O ALA A 347 -2.572 50.150 7.050 1.00 47.58 O +ATOM 2195 CB ALA A 347 -3.619 47.123 7.915 1.00 46.48 C +ATOM 2196 N GLU A 348 -4.808 49.921 7.044 1.00 43.16 N +ATOM 2197 CA GLU A 348 -5.024 50.948 6.029 1.00 42.42 C +ATOM 2198 C GLU A 348 -4.886 52.372 6.611 1.00 43.88 C +ATOM 2199 O GLU A 348 -4.549 53.316 5.896 1.00 43.18 O +ATOM 2200 CB GLU A 348 -6.402 50.772 5.391 1.00 43.99 C +ATOM 2201 CG GLU A 348 -6.491 49.595 4.431 1.00 58.35 C +ATOM 2202 CD GLU A 348 -7.926 49.215 4.107 1.00 86.35 C +ATOM 2203 OE1 GLU A 348 -8.224 48.001 4.057 1.00 80.27 O +ATOM 2204 OE2 GLU A 348 -8.755 50.131 3.905 1.00 85.09 O +ATOM 2205 N ARG A 349 -5.156 52.505 7.907 1.00 38.22 N +ATOM 2206 CA ARG A 349 -5.074 53.791 8.593 1.00 36.60 C +ATOM 2207 C ARG A 349 -3.680 54.372 8.455 1.00 39.47 C +ATOM 2208 O ARG A 349 -2.694 53.647 8.529 1.00 38.92 O +ATOM 2209 CB ARG A 349 -5.419 53.608 10.078 1.00 34.99 C +ATOM 2210 CG ARG A 349 -5.690 54.908 10.839 1.00 38.22 C +ATOM 2211 CD ARG A 349 -6.119 54.622 12.275 1.00 35.95 C +ATOM 2212 NE ARG A 349 -7.244 53.687 12.329 1.00 34.40 N +ATOM 2213 CZ ARG A 349 -7.377 52.734 13.243 1.00 46.00 C +ATOM 2214 NH1 ARG A 349 -6.468 52.602 14.199 1.00 37.72 N +ATOM 2215 NH2 ARG A 349 -8.423 51.924 13.213 1.00 34.66 N +ATOM 2216 N ALA A 350 -3.590 55.685 8.264 1.00 35.50 N +ATOM 2217 CA ALA A 350 -2.285 56.327 8.132 1.00 35.20 C +ATOM 2218 C ALA A 350 -1.466 56.146 9.405 1.00 39.20 C +ATOM 2219 O ALA A 350 -2.018 55.985 10.488 1.00 38.53 O +ATOM 2220 CB ALA A 350 -2.451 57.827 7.812 1.00 36.02 C +ATOM 2221 N ASP A 351 -0.144 56.178 9.275 1.00 36.80 N +ATOM 2222 CA ASP A 351 0.712 56.056 10.439 1.00 37.09 C +ATOM 2223 C ASP A 351 1.332 57.414 10.757 1.00 39.58 C +ATOM 2224 O ASP A 351 1.137 58.370 10.018 1.00 38.45 O +ATOM 2225 CB ASP A 351 1.771 54.936 10.272 1.00 39.17 C +ATOM 2226 CG ASP A 351 2.764 55.211 9.154 1.00 49.94 C +ATOM 2227 OD1 ASP A 351 2.883 56.369 8.702 1.00 49.73 O +ATOM 2228 OD2 ASP A 351 3.463 54.257 8.752 1.00 56.54 O +ATOM 2229 N LEU A 352 2.033 57.507 11.876 1.00 36.09 N +ATOM 2230 CA LEU A 352 2.619 58.772 12.291 1.00 36.40 C +ATOM 2231 C LEU A 352 3.511 59.405 11.247 1.00 41.18 C +ATOM 2232 O LEU A 352 3.511 60.618 11.079 1.00 40.71 O +ATOM 2233 CB LEU A 352 3.370 58.620 13.618 1.00 36.49 C +ATOM 2234 CG LEU A 352 2.503 58.355 14.857 1.00 40.96 C +ATOM 2235 CD1 LEU A 352 3.358 57.852 16.011 1.00 41.21 C +ATOM 2236 CD2 LEU A 352 1.723 59.603 15.265 1.00 42.13 C +ATOM 2237 N LYS A 353 4.296 58.586 10.560 1.00 38.30 N +ATOM 2238 CA LYS A 353 5.213 59.100 9.548 1.00 37.90 C +ATOM 2239 C LYS A 353 4.458 59.734 8.390 1.00 38.53 C +ATOM 2240 O LYS A 353 4.866 60.755 7.853 1.00 37.53 O +ATOM 2241 CB LYS A 353 6.125 57.975 9.030 1.00 41.43 C +ATOM 2242 CG LYS A 353 7.223 58.457 8.096 1.00 62.02 C +ATOM 2243 CD LYS A 353 8.262 57.367 7.850 1.00 74.66 C +ATOM 2244 CE LYS A 353 9.509 57.935 7.184 1.00 86.32 C +ATOM 2245 NZ LYS A 353 10.518 56.878 6.897 1.00 96.49 N +ATOM 2246 N GLN A 354 3.357 59.110 8.011 1.00 33.76 N +ATOM 2247 CA GLN A 354 2.550 59.582 6.907 1.00 33.39 C +ATOM 2248 C GLN A 354 1.790 60.848 7.275 1.00 36.57 C +ATOM 2249 O GLN A 354 1.675 61.764 6.475 1.00 36.63 O +ATOM 2250 CB GLN A 354 1.576 58.485 6.468 1.00 34.57 C +ATOM 2251 CG GLN A 354 2.278 57.272 5.842 1.00 47.02 C +ATOM 2252 CD GLN A 354 1.335 56.119 5.565 1.00 64.47 C +ATOM 2253 OE1 GLN A 354 0.225 56.073 6.082 1.00 55.96 O +ATOM 2254 NE2 GLN A 354 1.779 55.178 4.739 1.00 61.72 N +ATOM 2255 N LEU A 355 1.274 60.894 8.495 1.00 32.09 N +ATOM 2256 CA LEU A 355 0.536 62.066 8.957 1.00 31.09 C +ATOM 2257 C LEU A 355 1.436 63.282 8.995 1.00 33.66 C +ATOM 2258 O LEU A 355 1.030 64.376 8.622 1.00 31.40 O +ATOM 2259 CB LEU A 355 -0.070 61.798 10.331 1.00 31.08 C +ATOM 2260 CG LEU A 355 -1.139 60.707 10.293 1.00 35.11 C +ATOM 2261 CD1 LEU A 355 -1.645 60.384 11.678 1.00 35.72 C +ATOM 2262 CD2 LEU A 355 -2.271 61.119 9.386 1.00 37.56 C +ATOM 2263 N MET A 356 2.673 63.077 9.423 1.00 31.92 N +ATOM 2264 CA MET A 356 3.636 64.163 9.518 1.00 33.00 C +ATOM 2265 C MET A 356 3.861 64.893 8.202 1.00 36.80 C +ATOM 2266 O MET A 356 4.249 66.071 8.190 1.00 36.87 O +ATOM 2267 CB MET A 356 4.966 63.650 10.073 1.00 36.01 C +ATOM 2268 CG MET A 356 5.795 64.720 10.738 1.00 40.76 C +ATOM 2269 SD MET A 356 4.993 65.353 12.235 1.00 46.03 S +ATOM 2270 CE MET A 356 4.979 67.081 11.885 1.00 42.64 C +ATOM 2271 N VAL A 357 3.651 64.193 7.091 1.00 33.12 N +ATOM 2272 CA VAL A 357 3.836 64.795 5.784 1.00 32.94 C +ATOM 2273 C VAL A 357 2.530 64.963 5.014 1.00 34.07 C +ATOM 2274 O VAL A 357 2.539 65.307 3.837 1.00 33.80 O +ATOM 2275 CB VAL A 357 4.910 64.072 4.963 1.00 38.07 C +ATOM 2276 CG1 VAL A 357 6.263 64.176 5.670 1.00 38.28 C +ATOM 2277 CG2 VAL A 357 4.525 62.611 4.745 1.00 38.00 C +ATOM 2278 N HIS A 358 1.403 64.745 5.689 1.00 28.32 N +ATOM 2279 CA HIS A 358 0.097 64.918 5.044 1.00 26.09 C +ATOM 2280 C HIS A 358 -0.043 66.384 4.642 1.00 29.10 C +ATOM 2281 O HIS A 358 0.492 67.266 5.315 1.00 27.99 O +ATOM 2282 CB HIS A 358 -1.032 64.520 6.007 1.00 25.53 C +ATOM 2283 CG HIS A 358 -2.381 64.459 5.363 1.00 27.83 C +ATOM 2284 ND1 HIS A 358 -3.148 65.583 5.130 1.00 28.92 N +ATOM 2285 CD2 HIS A 358 -3.110 63.408 4.911 1.00 28.81 C +ATOM 2286 CE1 HIS A 358 -4.283 65.227 4.554 1.00 27.95 C +ATOM 2287 NE2 HIS A 358 -4.286 63.913 4.412 1.00 28.09 N +ATOM 2288 N ALA A 359 -0.732 66.639 3.528 1.00 25.44 N +ATOM 2289 CA ALA A 359 -0.935 68.007 3.033 1.00 25.03 C +ATOM 2290 C ALA A 359 -1.471 68.947 4.111 1.00 29.05 C +ATOM 2291 O ALA A 359 -1.121 70.130 4.144 1.00 29.36 O +ATOM 2292 CB ALA A 359 -1.862 68.004 1.865 1.00 25.73 C +ATOM 2293 N PHE A 360 -2.367 68.442 4.949 1.00 25.27 N +ATOM 2294 CA PHE A 360 -2.966 69.267 6.020 1.00 23.97 C +ATOM 2295 C PHE A 360 -1.903 69.721 7.031 1.00 27.76 C +ATOM 2296 O PHE A 360 -1.928 70.854 7.527 1.00 26.73 O +ATOM 2297 CB PHE A 360 -4.076 68.487 6.740 1.00 24.83 C +ATOM 2298 CG PHE A 360 -4.689 69.229 7.918 1.00 25.39 C +ATOM 2299 CD1 PHE A 360 -5.387 70.409 7.724 1.00 27.87 C +ATOM 2300 CD2 PHE A 360 -4.575 68.731 9.211 1.00 26.24 C +ATOM 2301 CE1 PHE A 360 -5.963 71.088 8.810 1.00 28.15 C +ATOM 2302 CE2 PHE A 360 -5.145 69.399 10.290 1.00 28.56 C +ATOM 2303 CZ PHE A 360 -5.841 70.585 10.080 1.00 26.36 C +ATOM 2304 N ILE A 361 -0.984 68.824 7.347 1.00 24.02 N +ATOM 2305 CA ILE A 361 0.062 69.113 8.315 1.00 24.63 C +ATOM 2306 C ILE A 361 1.096 70.057 7.729 1.00 30.08 C +ATOM 2307 O ILE A 361 1.527 71.014 8.378 1.00 28.86 O +ATOM 2308 CB ILE A 361 0.689 67.810 8.853 1.00 27.54 C +ATOM 2309 CG1 ILE A 361 -0.333 67.044 9.686 1.00 27.23 C +ATOM 2310 CG2 ILE A 361 1.951 68.098 9.656 1.00 29.05 C +ATOM 2311 CD1 ILE A 361 -0.888 67.852 10.913 1.00 29.44 C +ATOM 2312 N LYS A 362 1.470 69.817 6.482 1.00 28.31 N +ATOM 2313 CA LYS A 362 2.431 70.679 5.828 1.00 28.50 C +ATOM 2314 C LYS A 362 1.874 72.082 5.754 1.00 32.53 C +ATOM 2315 O LYS A 362 2.565 73.057 6.068 1.00 33.42 O +ATOM 2316 CB LYS A 362 2.754 70.153 4.428 1.00 31.31 C +ATOM 2317 CG LYS A 362 3.724 68.982 4.437 1.00 42.99 C +ATOM 2318 CD LYS A 362 4.301 68.737 3.047 1.00 54.33 C +ATOM 2319 CE LYS A 362 3.254 68.155 2.109 1.00 63.71 C +ATOM 2320 NZ LYS A 362 3.437 66.691 1.917 1.00 73.87 N +ATOM 2321 N ARG A 363 0.615 72.186 5.354 1.00 28.07 N +ATOM 2322 CA ARG A 363 -0.043 73.485 5.248 1.00 27.87 C +ATOM 2323 C ARG A 363 -0.124 74.183 6.613 1.00 31.42 C +ATOM 2324 O ARG A 363 0.266 75.351 6.749 1.00 31.46 O +ATOM 2325 CB ARG A 363 -1.444 73.328 4.646 1.00 26.62 C +ATOM 2326 CG ARG A 363 -2.133 74.651 4.308 1.00 30.44 C +ATOM 2327 CD ARG A 363 -3.621 74.447 4.097 1.00 32.22 C +ATOM 2328 NE ARG A 363 -4.377 74.465 5.358 1.00 30.27 N +ATOM 2329 CZ ARG A 363 -5.589 73.940 5.502 1.00 40.31 C +ATOM 2330 NH1 ARG A 363 -6.166 73.344 4.474 1.00 29.91 N +ATOM 2331 NH2 ARG A 363 -6.227 74.013 6.670 1.00 26.24 N +ATOM 2332 N SER A 364 -0.619 73.469 7.617 1.00 27.60 N +ATOM 2333 CA SER A 364 -0.759 74.040 8.966 1.00 28.04 C +ATOM 2334 C SER A 364 0.590 74.445 9.547 1.00 35.56 C +ATOM 2335 O SER A 364 0.717 75.497 10.168 1.00 34.63 O +ATOM 2336 CB SER A 364 -1.451 73.054 9.909 1.00 29.05 C +ATOM 2337 OG SER A 364 -2.731 72.690 9.432 1.00 31.38 O +ATOM 2338 N ASP A 365 1.596 73.594 9.359 1.00 34.77 N +ATOM 2339 CA ASP A 365 2.921 73.880 9.890 1.00 35.80 C +ATOM 2340 C ASP A 365 3.457 75.184 9.342 1.00 41.76 C +ATOM 2341 O ASP A 365 4.183 75.896 10.023 1.00 42.66 O +ATOM 2342 CB ASP A 365 3.889 72.743 9.587 1.00 38.10 C +ATOM 2343 CG ASP A 365 5.127 72.779 10.474 1.00 54.75 C +ATOM 2344 OD1 ASP A 365 5.521 73.885 10.900 1.00 57.54 O +ATOM 2345 OD2 ASP A 365 5.698 71.702 10.752 1.00 60.21 O +ATOM 2346 N ALA A 366 3.082 75.498 8.110 1.00 39.29 N +ATOM 2347 CA ALA A 366 3.541 76.713 7.450 1.00 39.68 C +ATOM 2348 C ALA A 366 2.686 77.929 7.779 1.00 43.85 C +ATOM 2349 O ALA A 366 3.085 79.063 7.517 1.00 43.43 O +ATOM 2350 CB ALA A 366 3.608 76.500 5.938 1.00 40.47 C +ATOM 2351 N GLU A 367 1.499 77.697 8.329 1.00 40.28 N +ATOM 2352 CA GLU A 367 0.609 78.799 8.672 1.00 40.18 C +ATOM 2353 C GLU A 367 1.092 79.486 9.947 1.00 45.24 C +ATOM 2354 O GLU A 367 1.514 78.832 10.892 1.00 45.23 O +ATOM 2355 CB GLU A 367 -0.830 78.301 8.861 1.00 41.21 C +ATOM 2356 CG GLU A 367 -1.601 78.089 7.566 1.00 45.89 C +ATOM 2357 CD GLU A 367 -2.838 77.232 7.757 1.00 51.96 C +ATOM 2358 OE1 GLU A 367 -3.119 76.836 8.909 1.00 39.48 O +ATOM 2359 OE2 GLU A 367 -3.533 76.952 6.756 1.00 36.98 O +ATOM 2360 N GLU A 368 1.038 80.809 9.961 1.00 42.94 N +ATOM 2361 CA GLU A 368 1.450 81.570 11.135 1.00 43.22 C +ATOM 2362 C GLU A 368 0.202 81.804 11.957 1.00 46.17 C +ATOM 2363 O GLU A 368 -0.516 82.770 11.737 1.00 46.05 O +ATOM 2364 CB GLU A 368 2.070 82.915 10.722 1.00 44.75 C +ATOM 2365 CG GLU A 368 2.929 82.848 9.464 1.00 57.38 C +ATOM 2366 CD GLU A 368 4.342 82.376 9.746 1.00 83.66 C +ATOM 2367 OE1 GLU A 368 4.535 81.625 10.729 1.00 77.36 O +ATOM 2368 OE2 GLU A 368 5.260 82.758 8.984 1.00 81.20 O +ATOM 2369 N VAL A 369 -0.082 80.878 12.863 1.00 41.87 N +ATOM 2370 CA VAL A 369 -1.285 80.954 13.678 1.00 40.89 C +ATOM 2371 C VAL A 369 -0.993 81.365 15.110 1.00 42.22 C +ATOM 2372 O VAL A 369 -0.175 80.754 15.798 1.00 40.81 O +ATOM 2373 CB VAL A 369 -2.091 79.641 13.616 1.00 44.66 C +ATOM 2374 CG1 VAL A 369 -3.350 79.741 14.450 1.00 44.54 C +ATOM 2375 CG2 VAL A 369 -2.433 79.304 12.178 1.00 44.39 C +ATOM 2376 N ASP A 370 -1.673 82.413 15.556 1.00 37.44 N +ATOM 2377 CA ASP A 370 -1.499 82.900 16.909 1.00 36.19 C +ATOM 2378 C ASP A 370 -2.413 82.104 17.824 1.00 36.47 C +ATOM 2379 O ASP A 370 -3.486 82.570 18.202 1.00 35.43 O +ATOM 2380 CB ASP A 370 -1.841 84.386 16.982 1.00 38.37 C +ATOM 2381 CG ASP A 370 -1.616 84.969 18.366 1.00 50.14 C +ATOM 2382 OD1 ASP A 370 -0.844 84.376 19.152 1.00 49.71 O +ATOM 2383 OD2 ASP A 370 -2.207 86.024 18.664 1.00 59.40 O +ATOM 2384 N PHE A 371 -2.005 80.881 18.137 1.00 31.15 N +ATOM 2385 CA PHE A 371 -2.797 80.021 18.998 1.00 29.99 C +ATOM 2386 C PHE A 371 -3.012 80.655 20.379 1.00 32.95 C +ATOM 2387 O PHE A 371 -4.118 80.662 20.895 1.00 30.62 O +ATOM 2388 CB PHE A 371 -2.146 78.641 19.149 1.00 31.20 C +ATOM 2389 CG PHE A 371 -2.821 77.770 20.170 1.00 32.48 C +ATOM 2390 CD1 PHE A 371 -4.150 77.413 20.024 1.00 35.79 C +ATOM 2391 CD2 PHE A 371 -2.148 77.351 21.299 1.00 33.67 C +ATOM 2392 CE1 PHE A 371 -4.780 76.628 20.969 1.00 36.27 C +ATOM 2393 CE2 PHE A 371 -2.777 76.570 22.242 1.00 36.27 C +ATOM 2394 CZ PHE A 371 -4.097 76.215 22.081 1.00 34.33 C +ATOM 2395 N ALA A 372 -1.939 81.173 20.977 1.00 30.89 N +ATOM 2396 CA ALA A 372 -2.043 81.796 22.308 1.00 30.65 C +ATOM 2397 C ALA A 372 -3.068 82.913 22.288 1.00 34.18 C +ATOM 2398 O ALA A 372 -3.904 83.003 23.173 1.00 34.98 O +ATOM 2399 CB ALA A 372 -0.692 82.323 22.769 1.00 31.37 C +ATOM 2400 N GLY A 373 -2.996 83.756 21.266 1.00 30.64 N +ATOM 2401 CA GLY A 373 -3.924 84.878 21.112 1.00 30.36 C +ATOM 2402 C GLY A 373 -5.355 84.367 21.042 1.00 33.42 C +ATOM 2403 O GLY A 373 -6.230 84.841 21.765 1.00 33.22 O +ATOM 2404 N TRP A 374 -5.589 83.381 20.181 1.00 27.81 N +ATOM 2405 CA TRP A 374 -6.926 82.805 20.047 1.00 26.23 C +ATOM 2406 C TRP A 374 -7.389 82.195 21.367 1.00 28.02 C +ATOM 2407 O TRP A 374 -8.542 82.368 21.780 1.00 27.29 O +ATOM 2408 CB TRP A 374 -6.941 81.723 18.948 1.00 24.04 C +ATOM 2409 CG TRP A 374 -8.244 81.002 18.865 1.00 23.57 C +ATOM 2410 CD1 TRP A 374 -9.327 81.360 18.126 1.00 25.94 C +ATOM 2411 CD2 TRP A 374 -8.620 79.818 19.583 1.00 22.71 C +ATOM 2412 NE1 TRP A 374 -10.347 80.463 18.325 1.00 24.87 N +ATOM 2413 CE2 TRP A 374 -9.935 79.511 19.218 1.00 25.77 C +ATOM 2414 CE3 TRP A 374 -7.958 78.977 20.485 1.00 23.40 C +ATOM 2415 CZ2 TRP A 374 -10.607 78.408 19.725 1.00 24.92 C +ATOM 2416 CZ3 TRP A 374 -8.633 77.896 20.999 1.00 24.26 C +ATOM 2417 CH2 TRP A 374 -9.937 77.617 20.617 1.00 24.74 C +ATOM 2418 N LEU A 375 -6.501 81.445 22.007 1.00 23.71 N +ATOM 2419 CA LEU A 375 -6.830 80.775 23.247 1.00 23.26 C +ATOM 2420 C LEU A 375 -7.231 81.762 24.349 1.00 27.80 C +ATOM 2421 O LEU A 375 -8.283 81.629 24.951 1.00 25.39 O +ATOM 2422 CB LEU A 375 -5.652 79.916 23.722 1.00 22.90 C +ATOM 2423 CG LEU A 375 -5.896 79.208 25.054 1.00 27.11 C +ATOM 2424 CD1 LEU A 375 -6.996 78.145 24.913 1.00 27.15 C +ATOM 2425 CD2 LEU A 375 -4.608 78.594 25.611 1.00 27.98 C +ATOM 2426 N CYS A 376 -6.385 82.754 24.597 1.00 27.71 N +ATOM 2427 CA CYS A 376 -6.662 83.737 25.656 1.00 29.45 C +ATOM 2428 C CYS A 376 -7.972 84.488 25.467 1.00 32.72 C +ATOM 2429 O CYS A 376 -8.697 84.732 26.425 1.00 32.07 O +ATOM 2430 CB CYS A 376 -5.493 84.702 25.808 1.00 30.63 C +ATOM 2431 SG CYS A 376 -4.030 83.847 26.418 1.00 35.12 S +ATOM 2432 N SER A 377 -8.280 84.833 24.228 1.00 29.59 N +ATOM 2433 CA SER A 377 -9.525 85.539 23.918 1.00 28.81 C +ATOM 2434 C SER A 377 -10.723 84.614 24.090 1.00 31.87 C +ATOM 2435 O SER A 377 -11.805 85.042 24.500 1.00 30.96 O +ATOM 2436 CB SER A 377 -9.492 86.057 22.477 1.00 32.18 C +ATOM 2437 OG SER A 377 -8.401 86.937 22.284 1.00 41.41 O +ATOM 2438 N THR A 378 -10.530 83.347 23.745 1.00 27.50 N +ATOM 2439 CA THR A 378 -11.607 82.358 23.807 1.00 26.87 C +ATOM 2440 C THR A 378 -12.023 81.972 25.211 1.00 31.41 C +ATOM 2441 O THR A 378 -13.208 81.795 25.484 1.00 31.31 O +ATOM 2442 CB THR A 378 -11.250 81.092 22.994 1.00 29.73 C +ATOM 2443 OG1 THR A 378 -11.108 81.431 21.619 1.00 27.91 O +ATOM 2444 CG2 THR A 378 -12.338 80.040 23.145 1.00 28.78 C +ATOM 2445 N ILE A 379 -11.050 81.745 26.081 1.00 28.54 N +ATOM 2446 CA ILE A 379 -11.365 81.334 27.438 1.00 29.35 C +ATOM 2447 C ILE A 379 -11.437 82.508 28.410 1.00 36.93 C +ATOM 2448 O ILE A 379 -11.891 82.353 29.528 1.00 36.28 O +ATOM 2449 CB ILE A 379 -10.451 80.204 27.948 1.00 32.18 C +ATOM 2450 CG1 ILE A 379 -9.007 80.666 28.005 1.00 32.45 C +ATOM 2451 CG2 ILE A 379 -10.606 78.957 27.082 1.00 32.75 C +ATOM 2452 CD1 ILE A 379 -8.069 79.618 28.586 1.00 39.45 C +ATOM 2453 N GLY A 380 -11.002 83.679 27.959 1.00 37.21 N +ATOM 2454 CA GLY A 380 -11.062 84.888 28.778 1.00 38.87 C +ATOM 2455 C GLY A 380 -9.879 85.033 29.720 1.00 47.02 C +ATOM 2456 O GLY A 380 -10.034 85.460 30.861 1.00 46.85 O +ATOM 2457 N LEU A 381 -8.695 84.691 29.238 1.00 46.74 N +ATOM 2458 CA LEU A 381 -7.487 84.817 30.041 1.00 48.27 C +ATOM 2459 C LEU A 381 -6.932 86.238 29.929 1.00 54.39 C +ATOM 2460 O LEU A 381 -6.329 86.757 30.868 1.00 54.84 O +ATOM 2461 CB LEU A 381 -6.436 83.802 29.593 1.00 48.81 C +ATOM 2462 CG LEU A 381 -6.313 82.542 30.452 1.00 54.17 C +ATOM 2463 CD1 LEU A 381 -5.506 81.473 29.725 1.00 54.55 C +ATOM 2464 CD2 LEU A 381 -5.680 82.871 31.796 1.00 57.22 C +ATOM 2465 N ASN A 382 -7.160 86.868 28.782 1.00 51.45 N +ATOM 2466 CA ASN A 382 -6.690 88.229 28.546 1.00 51.35 C +TER 2467 ASN A 382 +END diff --git a/bench/main_benchmark/structures/SFB_AL_MEK1_3EQIA_3MBLA/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_MEK1_3EQIA_3MBLA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..56e0ac0a272d5b307e2da0f1a1f2acd2f4e0d842 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_MEK1_3EQIA_3MBLA/state_b.pdb @@ -0,0 +1,2279 @@ +ATOM 1 N MET A 61 41.149 19.636 58.523 1.00 68.32 N +ATOM 2 CA MET A 61 39.883 19.474 59.285 1.00 69.95 C +ATOM 3 C MET A 61 38.704 19.793 58.391 1.00 67.20 C +ATOM 4 O MET A 61 38.871 20.465 57.391 1.00 63.23 O +ATOM 5 CB MET A 61 39.871 20.333 60.544 1.00 68.41 C +ATOM 6 CG MET A 61 39.642 21.824 60.294 1.00 70.10 C +ATOM 7 SD MET A 61 39.500 22.819 61.827 1.00 72.91 S +ATOM 8 CE MET A 61 37.874 22.413 62.547 1.00 64.61 C +ATOM 9 N GLU A 62 37.539 19.272 58.771 1.00 70.31 N +ATOM 10 CA GLU A 62 36.259 19.434 58.061 1.00 73.80 C +ATOM 11 C GLU A 62 35.654 20.812 58.264 1.00 71.59 C +ATOM 12 O GLU A 62 35.479 21.257 59.396 1.00 75.86 O +ATOM 13 CB GLU A 62 35.258 18.394 58.613 1.00 78.35 C +ATOM 14 CG GLU A 62 34.579 17.506 57.577 1.00 90.65 C +ATOM 15 CD GLU A 62 35.552 17.078 56.435 1.00104.99 C +ATOM 16 OE1 GLU A 62 35.954 15.878 56.409 1.00103.59 O +ATOM 17 OE2 GLU A 62 35.924 17.952 55.584 1.00 98.06 O +ATOM 18 N LEU A 63 35.291 21.485 57.191 1.00 71.29 N +ATOM 19 CA LEU A 63 34.600 22.763 57.326 1.00 69.66 C +ATOM 20 C LEU A 63 33.102 22.562 57.554 1.00 74.12 C +ATOM 21 O LEU A 63 32.490 21.744 56.857 1.00 76.42 O +ATOM 22 CB LEU A 63 34.790 23.558 56.062 1.00 67.99 C +ATOM 23 CG LEU A 63 36.211 23.789 55.566 1.00 64.69 C +ATOM 24 CD1 LEU A 63 36.149 24.709 54.385 1.00 59.33 C +ATOM 25 CD2 LEU A 63 37.089 24.391 56.663 1.00 58.83 C +ATOM 26 N LYS A 64 32.506 23.261 58.533 1.00 74.43 N +ATOM 27 CA LYS A 64 31.034 23.272 58.662 1.00 74.27 C +ATOM 28 C LYS A 64 30.452 24.656 58.967 1.00 74.75 C +ATOM 29 O LYS A 64 31.179 25.547 59.378 1.00 75.27 O +ATOM 30 CB LYS A 64 30.542 22.194 59.624 1.00 76.65 C +ATOM 31 CG LYS A 64 31.131 22.232 61.005 1.00 80.50 C +ATOM 32 CD LYS A 64 30.821 20.942 61.757 1.00 87.11 C +ATOM 33 CE LYS A 64 31.181 21.066 63.240 1.00 89.48 C +ATOM 34 NZ LYS A 64 30.934 22.469 63.727 1.00 86.13 N +ATOM 35 N ASP A 65 29.145 24.838 58.760 1.00 76.48 N +ATOM 36 CA ASP A 65 28.497 26.172 58.802 1.00 76.65 C +ATOM 37 C ASP A 65 28.706 26.987 60.101 1.00 75.66 C +ATOM 38 O ASP A 65 28.889 28.198 60.034 1.00 72.43 O +ATOM 39 CB ASP A 65 26.982 26.071 58.479 1.00 77.39 C +ATOM 40 CG ASP A 65 26.281 27.454 58.457 1.00 82.29 C +ATOM 41 OD1 ASP A 65 26.513 28.253 57.515 1.00 82.63 O +ATOM 42 OD2 ASP A 65 25.500 27.749 59.391 1.00 81.26 O +ATOM 43 N ASP A 66 28.637 26.337 61.261 1.00 75.65 N +ATOM 44 CA ASP A 66 28.737 27.070 62.545 1.00 81.88 C +ATOM 45 C ASP A 66 30.176 27.494 62.929 1.00 77.17 C +ATOM 46 O ASP A 66 30.386 28.307 63.846 1.00 77.37 O +ATOM 47 CB ASP A 66 28.022 26.337 63.717 1.00 86.42 C +ATOM 48 CG ASP A 66 28.014 24.798 63.551 1.00101.32 C +ATOM 49 OD1 ASP A 66 27.816 24.295 62.389 1.00110.51 O +ATOM 50 OD2 ASP A 66 28.184 24.096 64.588 1.00106.47 O +ATOM 51 N ASP A 67 31.146 26.964 62.197 1.00 71.21 N +ATOM 52 CA ASP A 67 32.514 27.315 62.393 1.00 65.91 C +ATOM 53 C ASP A 67 32.898 28.619 61.699 1.00 65.35 C +ATOM 54 O ASP A 67 34.027 29.064 61.890 1.00 67.41 O +ATOM 55 CB ASP A 67 33.416 26.147 61.993 1.00 62.27 C +ATOM 56 CG ASP A 67 33.414 25.013 63.044 1.00 68.65 C +ATOM 57 OD1 ASP A 67 33.917 23.905 62.763 1.00 65.96 O +ATOM 58 OD2 ASP A 67 32.907 25.210 64.177 1.00 71.44 O +ATOM 59 N PHE A 68 31.975 29.245 60.938 1.00 63.38 N +ATOM 60 CA PHE A 68 32.262 30.504 60.194 1.00 59.80 C +ATOM 61 C PHE A 68 31.685 31.745 60.817 1.00 63.78 C +ATOM 62 O PHE A 68 30.720 31.664 61.552 1.00 66.95 O +ATOM 63 CB PHE A 68 31.827 30.424 58.731 1.00 56.24 C +ATOM 64 CG PHE A 68 32.611 29.435 57.939 1.00 56.55 C +ATOM 65 CD1 PHE A 68 32.202 28.103 57.852 1.00 55.59 C +ATOM 66 CD2 PHE A 68 33.822 29.806 57.346 1.00 54.22 C +ATOM 67 CE1 PHE A 68 32.961 27.153 57.146 1.00 52.24 C +ATOM 68 CE2 PHE A 68 34.606 28.850 56.681 1.00 50.50 C +ATOM 69 CZ PHE A 68 34.170 27.528 56.567 1.00 53.70 C +ATOM 70 N GLU A 69 32.276 32.901 60.520 1.00 65.36 N +ATOM 71 CA GLU A 69 31.734 34.195 60.972 1.00 69.60 C +ATOM 72 C GLU A 69 31.863 35.183 59.817 1.00 69.49 C +ATOM 73 O GLU A 69 32.936 35.304 59.195 1.00 66.60 O +ATOM 74 CB GLU A 69 32.529 34.692 62.169 1.00 74.12 C +ATOM 75 CG GLU A 69 31.953 35.815 62.998 1.00 84.55 C +ATOM 76 CD GLU A 69 32.570 35.816 64.399 1.00101.04 C +ATOM 77 OE1 GLU A 69 33.805 36.076 64.527 1.00101.14 O +ATOM 78 OE2 GLU A 69 31.817 35.522 65.362 1.00103.53 O +ATOM 79 N LYS A 70 30.767 35.844 59.491 1.00 68.71 N +ATOM 80 CA LYS A 70 30.743 36.718 58.326 1.00 71.85 C +ATOM 81 C LYS A 70 31.647 37.920 58.614 1.00 71.69 C +ATOM 82 O LYS A 70 31.588 38.446 59.694 1.00 75.14 O +ATOM 83 CB LYS A 70 29.295 37.174 58.063 1.00 74.10 C +ATOM 84 CG LYS A 70 28.911 37.443 56.610 1.00 79.61 C +ATOM 85 CD LYS A 70 27.497 36.920 56.294 1.00 95.06 C +ATOM 86 CE LYS A 70 26.402 37.989 56.551 1.00107.06 C +ATOM 87 NZ LYS A 70 24.993 37.494 56.384 1.00105.25 N +ATOM 88 N ILE A 71 32.485 38.343 57.675 1.00 70.26 N +ATOM 89 CA ILE A 71 33.250 39.582 57.852 1.00 71.80 C +ATOM 90 C ILE A 71 32.667 40.699 56.984 1.00 75.66 C +ATOM 91 O ILE A 71 32.260 41.726 57.522 1.00 79.35 O +ATOM 92 CB ILE A 71 34.771 39.416 57.597 1.00 72.55 C +ATOM 93 CG1 ILE A 71 35.415 38.497 58.643 1.00 69.50 C +ATOM 94 CG2 ILE A 71 35.514 40.775 57.571 1.00 67.76 C +ATOM 95 CD1 ILE A 71 36.770 37.982 58.161 1.00 62.89 C +ATOM 96 N SER A 72 32.605 40.501 55.665 1.00 75.11 N +ATOM 97 CA SER A 72 31.895 41.413 54.776 1.00 76.63 C +ATOM 98 C SER A 72 31.443 40.667 53.520 1.00 76.78 C +ATOM 99 O SER A 72 31.601 39.444 53.437 1.00 75.65 O +ATOM 100 CB SER A 72 32.770 42.600 54.418 1.00 76.13 C +ATOM 101 OG SER A 72 33.996 42.132 53.898 1.00 84.76 O +ATOM 102 N GLU A 73 30.856 41.383 52.567 1.00 77.51 N +ATOM 103 CA GLU A 73 30.440 40.762 51.313 1.00 79.12 C +ATOM 104 C GLU A 73 31.417 41.129 50.183 1.00 76.96 C +ATOM 105 O GLU A 73 31.623 42.327 49.933 1.00 78.72 O +ATOM 106 CB GLU A 73 29.011 41.189 50.927 1.00 82.10 C +ATOM 107 CG GLU A 73 28.350 40.198 49.964 1.00 85.37 C +ATOM 108 CD GLU A 73 27.189 40.802 49.211 1.00 99.30 C +ATOM 109 OE1 GLU A 73 27.448 41.556 48.239 1.00101.15 O +ATOM 110 OE2 GLU A 73 26.020 40.520 49.589 1.00103.93 O +ATOM 111 N LEU A 74 31.983 40.132 49.492 1.00 71.11 N +ATOM 112 CA LEU A 74 32.975 40.416 48.433 1.00 71.65 C +ATOM 113 C LEU A 74 32.316 40.760 47.112 1.00 75.37 C +ATOM 114 O LEU A 74 32.862 41.523 46.339 1.00 75.42 O +ATOM 115 CB LEU A 74 33.946 39.255 48.239 1.00 68.43 C +ATOM 116 CG LEU A 74 34.813 39.052 49.480 1.00 67.02 C +ATOM 117 CD1 LEU A 74 35.477 37.701 49.424 1.00 58.77 C +ATOM 118 CD2 LEU A 74 35.828 40.238 49.605 1.00 64.55 C +ATOM 119 N GLY A 75 31.147 40.173 46.866 1.00 77.25 N +ATOM 120 CA GLY A 75 30.296 40.559 45.768 1.00 82.18 C +ATOM 121 C GLY A 75 29.222 39.503 45.601 1.00 86.53 C +ATOM 122 O GLY A 75 29.097 38.595 46.449 1.00 84.91 O +ATOM 123 N ALA A 76 28.447 39.637 44.509 1.00 92.04 N +ATOM 124 CA ALA A 76 27.437 38.639 44.064 1.00 94.72 C +ATOM 125 C ALA A 76 27.448 38.498 42.539 1.00 96.54 C +ATOM 126 O ALA A 76 27.952 39.378 41.837 1.00 95.28 O +ATOM 127 CB ALA A 76 26.025 39.015 44.542 1.00 96.92 C +ATOM 128 N GLY A 77 26.917 37.372 42.054 1.00 99.99 N +ATOM 129 CA GLY A 77 26.635 37.135 40.631 1.00106.30 C +ATOM 130 C GLY A 77 25.270 36.462 40.514 1.00113.75 C +ATOM 131 O GLY A 77 24.363 36.711 41.337 1.00114.32 O +ATOM 132 N ASN A 78 25.119 35.609 39.495 1.00118.20 N +ATOM 133 CA ASN A 78 23.914 34.762 39.316 1.00123.02 C +ATOM 134 C ASN A 78 23.743 33.657 40.391 1.00121.75 C +ATOM 135 O ASN A 78 24.580 32.723 40.489 1.00116.59 O +ATOM 136 CB ASN A 78 23.900 34.116 37.914 1.00125.55 C +ATOM 137 CG ASN A 78 23.465 35.080 36.822 1.00132.46 C +ATOM 138 OD1 ASN A 78 22.737 34.700 35.887 1.00139.14 O +ATOM 139 ND2 ASN A 78 23.899 36.340 36.935 1.00133.08 N +ATOM 140 N GLY A 79 22.658 33.775 41.178 1.00122.65 N +ATOM 141 CA GLY A 79 22.310 32.808 42.254 1.00121.72 C +ATOM 142 C GLY A 79 23.355 32.513 43.353 1.00117.78 C +ATOM 143 O GLY A 79 23.107 31.645 44.228 1.00115.15 O +ATOM 144 N GLY A 80 24.502 33.234 43.302 1.00113.60 N +ATOM 145 CA GLY A 80 25.663 33.059 44.225 1.00106.87 C +ATOM 146 C GLY A 80 26.263 34.299 44.914 1.00101.37 C +ATOM 147 O GLY A 80 26.737 35.237 44.253 1.00101.36 O +ATOM 148 N VAL A 81 26.238 34.320 46.247 1.00 95.50 N +ATOM 149 CA VAL A 81 26.909 35.401 46.969 1.00 87.52 C +ATOM 150 C VAL A 81 28.238 34.927 47.490 1.00 78.85 C +ATOM 151 O VAL A 81 28.435 33.730 47.771 1.00 73.01 O +ATOM 152 CB VAL A 81 26.081 35.996 48.118 1.00 90.49 C +ATOM 153 CG1 VAL A 81 24.943 36.863 47.559 1.00 97.28 C +ATOM 154 CG2 VAL A 81 25.577 34.889 49.051 1.00 85.61 C +ATOM 155 N VAL A 82 29.157 35.877 47.578 1.00 72.77 N +ATOM 156 CA VAL A 82 30.450 35.570 48.092 1.00 67.84 C +ATOM 157 C VAL A 82 30.796 36.437 49.289 1.00 66.89 C +ATOM 158 O VAL A 82 30.876 37.671 49.211 1.00 66.89 O +ATOM 159 CB VAL A 82 31.509 35.595 47.013 1.00 65.65 C +ATOM 160 CG1 VAL A 82 32.840 35.104 47.582 1.00 61.11 C +ATOM 161 CG2 VAL A 82 31.086 34.703 45.889 1.00 64.49 C +ATOM 162 N PHE A 83 30.994 35.758 50.403 1.00 65.98 N +ATOM 163 CA PHE A 83 31.415 36.422 51.615 1.00 68.17 C +ATOM 164 C PHE A 83 32.890 36.267 51.947 1.00 65.76 C +ATOM 165 O PHE A 83 33.516 35.221 51.643 1.00 61.81 O +ATOM 166 CB PHE A 83 30.554 35.952 52.780 1.00 70.38 C +ATOM 167 CG PHE A 83 29.115 36.320 52.630 1.00 75.58 C +ATOM 168 CD1 PHE A 83 28.193 35.396 52.142 1.00 81.37 C +ATOM 169 CD2 PHE A 83 28.677 37.609 52.939 1.00 82.42 C +ATOM 170 CE1 PHE A 83 26.835 35.737 51.997 1.00 82.20 C +ATOM 171 CE2 PHE A 83 27.316 37.965 52.771 1.00 87.75 C +ATOM 172 CZ PHE A 83 26.401 37.020 52.312 1.00 78.43 C +ATOM 173 N LYS A 84 33.440 37.345 52.524 1.00 65.66 N +ATOM 174 CA LYS A 84 34.716 37.280 53.215 1.00 64.30 C +ATOM 175 C LYS A 84 34.372 36.809 54.607 1.00 64.63 C +ATOM 176 O LYS A 84 33.587 37.449 55.294 1.00 66.56 O +ATOM 177 CB LYS A 84 35.400 38.626 53.275 1.00 65.67 C +ATOM 178 CG LYS A 84 36.767 38.542 53.957 1.00 64.85 C +ATOM 179 CD LYS A 84 37.707 39.661 53.521 1.00 69.01 C +ATOM 180 CE LYS A 84 37.735 40.899 54.414 1.00 72.68 C +ATOM 181 NZ LYS A 84 39.168 41.396 54.499 1.00 73.11 N +ATOM 182 N VAL A 85 34.929 35.675 54.998 1.00 60.65 N +ATOM 183 CA VAL A 85 34.603 35.093 56.269 1.00 60.47 C +ATOM 184 C VAL A 85 35.827 34.659 57.074 1.00 60.64 C +ATOM 185 O VAL A 85 36.952 34.538 56.562 1.00 62.83 O +ATOM 186 CB VAL A 85 33.677 33.881 56.120 1.00 59.75 C +ATOM 187 CG1 VAL A 85 32.431 34.268 55.369 1.00 58.85 C +ATOM 188 CG2 VAL A 85 34.427 32.731 55.431 1.00 55.55 C +ATOM 189 N SER A 86 35.585 34.404 58.348 1.00 59.66 N +ATOM 190 CA SER A 86 36.587 33.879 59.220 1.00 57.41 C +ATOM 191 C SER A 86 36.233 32.482 59.609 1.00 55.73 C +ATOM 192 O SER A 86 35.141 32.212 60.071 1.00 57.72 O +ATOM 193 CB SER A 86 36.648 34.738 60.468 1.00 60.53 C +ATOM 194 OG SER A 86 37.765 34.385 61.223 1.00 64.24 O +ATOM 195 N HIS A 87 37.171 31.582 59.427 1.00 56.73 N +ATOM 196 CA HIS A 87 37.009 30.236 59.894 1.00 56.27 C +ATOM 197 C HIS A 87 37.469 30.204 61.329 1.00 56.82 C +ATOM 198 O HIS A 87 38.654 30.124 61.625 1.00 57.53 O +ATOM 199 CB HIS A 87 37.822 29.291 59.033 1.00 54.69 C +ATOM 200 CG HIS A 87 37.610 27.856 59.372 1.00 59.22 C +ATOM 201 ND1 HIS A 87 38.650 27.003 59.679 1.00 61.55 N +ATOM 202 CD2 HIS A 87 36.474 27.125 59.475 1.00 60.23 C +ATOM 203 CE1 HIS A 87 38.162 25.806 59.952 1.00 63.83 C +ATOM 204 NE2 HIS A 87 36.844 25.855 59.833 1.00 63.54 N +ATOM 205 N LYS A 88 36.513 30.270 62.235 1.00 57.98 N +ATOM 206 CA LYS A 88 36.855 30.414 63.626 1.00 61.17 C +ATOM 207 C LYS A 88 37.840 29.389 64.184 1.00 61.12 C +ATOM 208 O LYS A 88 38.697 29.749 64.953 1.00 64.74 O +ATOM 209 CB LYS A 88 35.620 30.577 64.494 1.00 61.98 C +ATOM 210 CG LYS A 88 34.900 31.890 64.219 1.00 66.60 C +ATOM 211 CD LYS A 88 33.631 32.032 65.041 1.00 73.63 C +ATOM 212 CE LYS A 88 32.620 30.932 64.738 1.00 75.52 C +ATOM 213 NZ LYS A 88 31.384 31.143 65.555 1.00 82.84 N +ATOM 214 N PRO A 89 37.711 28.112 63.828 1.00 60.70 N +ATOM 215 CA PRO A 89 38.663 27.220 64.511 1.00 59.34 C +ATOM 216 C PRO A 89 40.120 27.370 64.079 1.00 58.77 C +ATOM 217 O PRO A 89 41.048 27.099 64.895 1.00 59.68 O +ATOM 218 CB PRO A 89 38.135 25.799 64.188 1.00 58.41 C +ATOM 219 CG PRO A 89 36.693 25.955 63.830 1.00 53.32 C +ATOM 220 CD PRO A 89 36.525 27.382 63.309 1.00 60.29 C +ATOM 221 N SER A 90 40.333 27.791 62.831 1.00 54.69 N +ATOM 222 CA SER A 90 41.677 27.823 62.272 1.00 52.20 C +ATOM 223 C SER A 90 42.279 29.201 62.353 1.00 55.78 C +ATOM 224 O SER A 90 43.508 29.355 62.439 1.00 58.05 O +ATOM 225 CB SER A 90 41.670 27.383 60.820 1.00 54.42 C +ATOM 226 OG SER A 90 40.932 28.264 59.949 1.00 53.66 O +ATOM 227 N GLY A 91 41.404 30.203 62.302 1.00 57.27 N +ATOM 228 CA GLY A 91 41.756 31.596 62.410 1.00 56.50 C +ATOM 229 C GLY A 91 41.856 32.160 61.006 1.00 59.31 C +ATOM 230 O GLY A 91 42.000 33.373 60.833 1.00 61.73 O +ATOM 231 N LEU A 92 41.764 31.283 60.005 1.00 58.06 N +ATOM 232 CA LEU A 92 41.922 31.652 58.589 1.00 57.85 C +ATOM 233 C LEU A 92 40.817 32.498 58.013 1.00 59.47 C +ATOM 234 O LEU A 92 39.654 32.254 58.294 1.00 61.38 O +ATOM 235 CB LEU A 92 41.920 30.394 57.765 1.00 56.43 C +ATOM 236 CG LEU A 92 43.285 29.794 57.588 1.00 62.25 C +ATOM 237 CD1 LEU A 92 43.119 28.636 56.655 1.00 65.93 C +ATOM 238 CD2 LEU A 92 44.111 30.844 56.935 1.00 69.31 C +ATOM 239 N VAL A 93 41.175 33.461 57.164 1.00 61.30 N +ATOM 240 CA VAL A 93 40.199 34.239 56.394 1.00 60.47 C +ATOM 241 C VAL A 93 39.970 33.580 55.032 1.00 59.81 C +ATOM 242 O VAL A 93 40.931 33.182 54.355 1.00 59.39 O +ATOM 243 CB VAL A 93 40.709 35.656 56.226 1.00 63.30 C +ATOM 244 CG1 VAL A 93 39.873 36.427 55.255 1.00 60.47 C +ATOM 245 CG2 VAL A 93 40.713 36.329 57.551 1.00 60.46 C +ATOM 246 N MET A 94 38.707 33.425 54.633 1.00 56.35 N +ATOM 247 CA MET A 94 38.405 32.714 53.394 1.00 55.04 C +ATOM 248 C MET A 94 37.380 33.465 52.639 1.00 55.05 C +ATOM 249 O MET A 94 36.737 34.338 53.214 1.00 59.48 O +ATOM 250 CB MET A 94 37.834 31.320 53.697 1.00 54.27 C +ATOM 251 CG MET A 94 38.764 30.475 54.471 1.00 56.62 C +ATOM 252 SD MET A 94 38.213 28.817 54.910 1.00 60.35 S +ATOM 253 CE MET A 94 36.532 29.282 54.688 1.00 65.34 C +ATOM 254 N ALA A 95 37.206 33.139 51.355 1.00 53.86 N +ATOM 255 CA ALA A 95 36.037 33.627 50.620 1.00 53.28 C +ATOM 256 C ALA A 95 35.101 32.465 50.566 1.00 53.78 C +ATOM 257 O ALA A 95 35.488 31.345 50.241 1.00 58.09 O +ATOM 258 CB ALA A 95 36.396 34.121 49.217 1.00 49.95 C +ATOM 259 N ARG A 96 33.867 32.712 50.914 1.00 56.25 N +ATOM 260 CA ARG A 96 32.876 31.647 50.966 1.00 57.56 C +ATOM 261 C ARG A 96 31.765 31.970 49.958 1.00 59.42 C +ATOM 262 O ARG A 96 31.102 33.014 50.082 1.00 58.55 O +ATOM 263 CB ARG A 96 32.280 31.546 52.368 1.00 57.42 C +ATOM 264 CG ARG A 96 31.240 30.434 52.485 1.00 58.29 C +ATOM 265 CD ARG A 96 30.440 30.581 53.767 1.00 61.81 C +ATOM 266 NE ARG A 96 29.655 29.380 54.006 1.00 67.19 N +ATOM 267 CZ ARG A 96 28.869 29.181 55.063 1.00 69.26 C +ATOM 268 NH1 ARG A 96 28.758 30.079 56.045 1.00 67.74 N +ATOM 269 NH2 ARG A 96 28.220 28.042 55.158 1.00 68.75 N +ATOM 270 N LYS A 97 31.605 31.091 48.965 1.00 56.78 N +ATOM 271 CA LYS A 97 30.624 31.271 47.927 1.00 59.49 C +ATOM 272 C LYS A 97 29.457 30.349 48.246 1.00 62.29 C +ATOM 273 O LYS A 97 29.657 29.163 48.591 1.00 63.68 O +ATOM 274 CB LYS A 97 31.202 30.927 46.562 1.00 57.60 C +ATOM 275 CG LYS A 97 30.206 30.992 45.413 1.00 57.89 C +ATOM 276 CD LYS A 97 30.761 30.563 44.077 1.00 57.16 C +ATOM 277 CE LYS A 97 31.474 31.701 43.368 1.00 62.47 C +ATOM 278 NZ LYS A 97 31.074 31.910 41.925 1.00 63.12 N +ATOM 279 N LEU A 98 28.257 30.912 48.164 1.00 62.57 N +ATOM 280 CA LEU A 98 27.028 30.191 48.489 1.00 67.06 C +ATOM 281 C LEU A 98 26.196 30.109 47.231 1.00 68.90 C +ATOM 282 O LEU A 98 25.946 31.133 46.569 1.00 66.87 O +ATOM 283 CB LEU A 98 26.223 30.919 49.577 1.00 68.87 C +ATOM 284 CG LEU A 98 26.879 31.258 50.933 1.00 71.79 C +ATOM 285 CD1 LEU A 98 26.192 32.463 51.532 1.00 76.68 C +ATOM 286 CD2 LEU A 98 26.801 30.097 51.935 1.00 73.26 C +ATOM 287 N ILE A 99 25.784 28.893 46.891 1.00 71.09 N +ATOM 288 CA ILE A 99 24.924 28.683 45.734 1.00 75.62 C +ATOM 289 C ILE A 99 23.594 28.101 46.146 1.00 78.93 C +ATOM 290 O ILE A 99 23.519 26.967 46.603 1.00 79.39 O +ATOM 291 CB ILE A 99 25.575 27.791 44.688 1.00 73.75 C +ATOM 292 CG1 ILE A 99 26.917 28.383 44.245 1.00 73.87 C +ATOM 293 CG2 ILE A 99 24.657 27.643 43.515 1.00 75.01 C +ATOM 294 CD1 ILE A 99 27.837 27.396 43.480 1.00 69.65 C +ATOM 295 N HIS A 100 22.549 28.893 45.973 1.00 85.39 N +ATOM 296 CA HIS A 100 21.211 28.531 46.447 1.00 91.95 C +ATOM 297 C HIS A 100 20.559 27.659 45.396 1.00 94.18 C +ATOM 298 O HIS A 100 20.333 28.117 44.291 1.00 93.90 O +ATOM 299 CB HIS A 100 20.407 29.822 46.665 1.00 94.93 C +ATOM 300 CG HIS A 100 19.187 29.670 47.539 1.00107.04 C +ATOM 301 ND1 HIS A 100 19.149 30.104 48.855 1.00111.52 N +ATOM 302 CD2 HIS A 100 17.948 29.188 47.267 1.00109.68 C +ATOM 303 CE1 HIS A 100 17.952 29.864 49.361 1.00116.88 C +ATOM 304 NE2 HIS A 100 17.207 29.305 48.420 1.00117.67 N +ATOM 305 N LEU A 101 20.261 26.403 45.697 1.00 98.68 N +ATOM 306 CA LEU A 101 19.552 25.625 44.667 1.00108.03 C +ATOM 307 C LEU A 101 18.459 24.646 45.106 1.00115.50 C +ATOM 308 O LEU A 101 18.650 23.868 46.042 1.00115.99 O +ATOM 309 CB LEU A 101 20.529 24.972 43.705 1.00105.47 C +ATOM 310 CG LEU A 101 21.860 24.644 44.337 1.00104.98 C +ATOM 311 CD1 LEU A 101 21.695 23.764 45.624 1.00105.08 C +ATOM 312 CD2 LEU A 101 22.652 24.000 43.229 1.00100.01 C +ATOM 313 N GLU A 102 17.324 24.707 44.398 1.00123.53 N +ATOM 314 CA GLU A 102 16.170 23.828 44.621 1.00131.83 C +ATOM 315 C GLU A 102 16.481 22.410 44.112 1.00132.93 C +ATOM 316 O GLU A 102 16.053 22.019 43.014 1.00135.55 O +ATOM 317 CB GLU A 102 14.900 24.354 43.899 1.00138.38 C +ATOM 318 CG GLU A 102 14.690 25.889 43.832 1.00142.11 C +ATOM 319 CD GLU A 102 14.105 26.485 45.111 1.00145.37 C +ATOM 320 OE1 GLU A 102 14.888 26.743 46.063 1.00137.57 O +ATOM 321 OE2 GLU A 102 12.868 26.711 45.144 1.00147.90 O +ATOM 322 N ILE A 103 17.225 21.639 44.902 1.00130.68 N +ATOM 323 CA ILE A 103 17.625 20.298 44.465 1.00131.28 C +ATOM 324 C ILE A 103 17.477 19.209 45.542 1.00132.72 C +ATOM 325 O ILE A 103 17.762 19.439 46.730 1.00129.02 O +ATOM 326 CB ILE A 103 19.045 20.281 43.788 1.00126.96 C +ATOM 327 CG1 ILE A 103 20.122 20.886 44.697 1.00121.87 C +ATOM 328 CG2 ILE A 103 19.009 21.001 42.418 1.00126.91 C +ATOM 329 CD1 ILE A 103 20.760 19.933 45.673 1.00114.55 C +ATOM 330 N LYS A 104 17.007 18.038 45.091 1.00136.30 N +ATOM 331 CA LYS A 104 16.799 16.842 45.922 1.00138.19 C +ATOM 332 C LYS A 104 18.048 16.462 46.753 1.00134.79 C +ATOM 333 O LYS A 104 19.188 16.775 46.353 1.00128.99 O +ATOM 334 CB LYS A 104 16.380 15.663 45.035 1.00141.30 C +ATOM 335 CG LYS A 104 15.197 15.935 44.112 1.00147.24 C +ATOM 336 CD LYS A 104 15.314 15.132 42.813 1.00148.02 C +ATOM 337 CE LYS A 104 14.119 15.346 41.890 1.00152.97 C +ATOM 338 NZ LYS A 104 12.923 14.521 42.265 1.00158.09 N +ATOM 339 N PRO A 105 17.837 15.774 47.904 1.00137.12 N +ATOM 340 CA PRO A 105 18.956 15.445 48.821 1.00134.61 C +ATOM 341 C PRO A 105 20.023 14.520 48.223 1.00132.97 C +ATOM 342 O PRO A 105 21.162 14.505 48.686 1.00130.11 O +ATOM 343 CB PRO A 105 18.265 14.760 50.018 1.00136.94 C +ATOM 344 CG PRO A 105 16.807 15.110 49.884 1.00142.60 C +ATOM 345 CD PRO A 105 16.544 15.277 48.418 1.00141.83 C +ATOM 346 N ALA A 106 19.646 13.763 47.202 1.00135.52 N +ATOM 347 CA ALA A 106 20.514 12.751 46.619 1.00134.64 C +ATOM 348 C ALA A 106 21.498 13.398 45.673 1.00130.11 C +ATOM 349 O ALA A 106 22.703 13.150 45.762 1.00128.08 O +ATOM 350 CB ALA A 106 19.682 11.678 45.889 1.00139.29 C +ATOM 351 N ILE A 107 20.986 14.239 44.777 1.00128.88 N +ATOM 352 CA ILE A 107 21.851 14.889 43.813 1.00125.75 C +ATOM 353 C ILE A 107 22.804 15.893 44.488 1.00119.82 C +ATOM 354 O ILE A 107 23.925 16.084 44.024 1.00117.05 O +ATOM 355 CB ILE A 107 21.103 15.512 42.577 1.00128.79 C +ATOM 356 CG1 ILE A 107 20.781 17.000 42.781 1.00130.37 C +ATOM 357 CG2 ILE A 107 19.885 14.684 42.135 1.00131.20 C +ATOM 358 CD1 ILE A 107 20.646 17.761 41.441 1.00136.89 C +ATOM 359 N ARG A 108 22.366 16.504 45.587 1.00116.65 N +ATOM 360 CA ARG A 108 23.200 17.446 46.303 1.00109.71 C +ATOM 361 C ARG A 108 24.450 16.748 46.807 1.00107.42 C +ATOM 362 O ARG A 108 25.529 17.354 46.849 1.00104.79 O +ATOM 363 CB ARG A 108 22.458 18.059 47.484 1.00110.12 C +ATOM 364 CG ARG A 108 22.797 17.406 48.813 1.00110.27 C +ATOM 365 CD ARG A 108 22.348 18.246 49.942 1.00112.21 C +ATOM 366 NE ARG A 108 20.900 18.298 50.037 1.00120.23 N +ATOM 367 CZ ARG A 108 20.207 17.693 50.997 1.00127.30 C +ATOM 368 NH1 ARG A 108 18.880 17.787 51.019 1.00131.51 N +ATOM 369 NH2 ARG A 108 20.848 16.998 51.936 1.00123.50 N +ATOM 370 N ASN A 109 24.316 15.482 47.195 1.00107.85 N +ATOM 371 CA ASN A 109 25.456 14.759 47.766 1.00105.25 C +ATOM 372 C ASN A 109 26.395 14.361 46.646 1.00101.34 C +ATOM 373 O ASN A 109 27.611 14.250 46.842 1.00 96.01 O +ATOM 374 CB ASN A 109 25.013 13.514 48.562 1.00111.12 C +ATOM 375 CG ASN A 109 24.147 13.856 49.767 1.00113.99 C +ATOM 376 OD1 ASN A 109 24.522 14.679 50.611 1.00114.43 O +ATOM 377 ND2 ASN A 109 22.978 13.224 49.847 1.00119.16 N +ATOM 378 N GLN A 110 25.816 14.127 45.470 1.00100.70 N +ATOM 379 CA GLN A 110 26.637 13.949 44.281 1.00 99.81 C +ATOM 380 C GLN A 110 27.457 15.232 44.018 1.00 93.69 C +ATOM 381 O GLN A 110 28.674 15.178 43.842 1.00 91.85 O +ATOM 382 CB GLN A 110 25.784 13.587 43.076 1.00101.09 C +ATOM 383 CG GLN A 110 26.589 12.990 41.964 1.00104.28 C +ATOM 384 CD GLN A 110 25.827 12.934 40.660 1.00113.49 C +ATOM 385 OE1 GLN A 110 24.661 13.329 40.580 1.00116.29 O +ATOM 386 NE2 GLN A 110 26.486 12.442 39.620 1.00117.25 N +ATOM 387 N ILE A 111 26.775 16.375 44.043 1.00 89.60 N +ATOM 388 CA ILE A 111 27.401 17.666 43.845 1.00 84.11 C +ATOM 389 C ILE A 111 28.523 17.850 44.819 1.00 81.65 C +ATOM 390 O ILE A 111 29.631 18.248 44.465 1.00 78.27 O +ATOM 391 CB ILE A 111 26.382 18.805 43.933 1.00 83.13 C +ATOM 392 CG1 ILE A 111 25.542 18.784 42.657 1.00 85.54 C +ATOM 393 CG2 ILE A 111 27.079 20.123 44.082 1.00 75.75 C +ATOM 394 CD1 ILE A 111 24.367 19.711 42.630 1.00 91.24 C +ATOM 395 N ILE A 112 28.268 17.510 46.062 1.00 83.99 N +ATOM 396 CA ILE A 112 29.322 17.716 47.044 1.00 82.76 C +ATOM 397 C ILE A 112 30.458 16.752 46.780 1.00 83.47 C +ATOM 398 O ILE A 112 31.622 17.084 47.048 1.00 83.89 O +ATOM 399 CB ILE A 112 28.786 17.629 48.496 1.00 83.11 C +ATOM 400 CG1 ILE A 112 28.074 18.931 48.842 1.00 83.69 C +ATOM 401 CG2 ILE A 112 29.898 17.338 49.514 1.00 78.82 C +ATOM 402 CD1 ILE A 112 27.661 18.963 50.276 1.00 94.31 C +ATOM 403 N ARG A 113 30.125 15.572 46.253 1.00 84.25 N +ATOM 404 CA ARG A 113 31.105 14.511 46.130 1.00 86.26 C +ATOM 405 C ARG A 113 31.992 14.840 44.941 1.00 83.90 C +ATOM 406 O ARG A 113 33.212 14.676 45.005 1.00 83.28 O +ATOM 407 CB ARG A 113 30.400 13.155 45.995 1.00 93.94 C +ATOM 408 CG ARG A 113 31.225 11.931 46.423 1.00101.73 C +ATOM 409 CD ARG A 113 30.320 10.758 46.843 1.00110.59 C +ATOM 410 NE ARG A 113 29.239 10.502 45.883 1.00115.10 N +ATOM 411 CZ ARG A 113 27.937 10.503 46.183 1.00115.00 C +ATOM 412 NH1 ARG A 113 27.533 10.736 47.429 1.00114.18 N +ATOM 413 NH2 ARG A 113 27.032 10.267 45.237 1.00108.84 N +ATOM 414 N GLU A 114 31.360 15.357 43.883 1.00 82.14 N +ATOM 415 CA GLU A 114 32.042 15.860 42.698 1.00 79.57 C +ATOM 416 C GLU A 114 32.927 17.098 42.994 1.00 76.47 C +ATOM 417 O GLU A 114 33.972 17.291 42.353 1.00 76.15 O +ATOM 418 CB GLU A 114 31.015 16.150 41.591 1.00 80.15 C +ATOM 419 CG GLU A 114 30.558 14.887 40.827 1.00 88.13 C +ATOM 420 CD GLU A 114 29.365 15.107 39.880 1.00 95.07 C +ATOM 421 OE1 GLU A 114 28.761 16.205 39.892 1.00 96.40 O +ATOM 422 OE2 GLU A 114 29.030 14.169 39.113 1.00 96.48 O +ATOM 423 N LEU A 115 32.518 17.924 43.954 1.00 72.54 N +ATOM 424 CA LEU A 115 33.315 19.101 44.330 1.00 72.71 C +ATOM 425 C LEU A 115 34.604 18.783 45.061 1.00 73.13 C +ATOM 426 O LEU A 115 35.438 19.662 45.235 1.00 72.89 O +ATOM 427 CB LEU A 115 32.517 20.073 45.205 1.00 70.87 C +ATOM 428 CG LEU A 115 31.347 20.777 44.500 1.00 71.27 C +ATOM 429 CD1 LEU A 115 30.490 21.641 45.439 1.00 64.45 C +ATOM 430 CD2 LEU A 115 31.871 21.566 43.310 1.00 63.44 C +ATOM 431 N GLN A 116 34.780 17.533 45.487 1.00 76.30 N +ATOM 432 CA GLN A 116 35.942 17.177 46.308 1.00 74.00 C +ATOM 433 C GLN A 116 37.200 17.149 45.448 1.00 73.91 C +ATOM 434 O GLN A 116 38.335 17.311 45.950 1.00 72.18 O +ATOM 435 CB GLN A 116 35.714 15.857 47.069 1.00 77.07 C +ATOM 436 CG GLN A 116 34.477 15.862 48.020 1.00 72.67 C +ATOM 437 CD GLN A 116 34.573 16.933 49.111 1.00 75.85 C +ATOM 438 OE1 GLN A 116 35.499 16.908 49.934 1.00 79.96 O +ATOM 439 NE2 GLN A 116 33.610 17.868 49.134 1.00 64.70 N +ATOM 440 N VAL A 117 37.017 17.018 44.138 1.00 73.23 N +ATOM 441 CA VAL A 117 38.210 16.975 43.310 1.00 74.39 C +ATOM 442 C VAL A 117 38.982 18.299 43.428 1.00 71.94 C +ATOM 443 O VAL A 117 40.176 18.355 43.136 1.00 72.71 O +ATOM 444 CB VAL A 117 37.961 16.503 41.862 1.00 76.85 C +ATOM 445 CG1 VAL A 117 36.902 15.371 41.849 1.00 75.08 C +ATOM 446 CG2 VAL A 117 37.545 17.685 40.977 1.00 80.27 C +ATOM 447 N LEU A 118 38.317 19.340 43.916 1.00 69.46 N +ATOM 448 CA LEU A 118 38.980 20.612 44.048 1.00 67.10 C +ATOM 449 C LEU A 118 40.129 20.498 45.032 1.00 70.54 C +ATOM 450 O LEU A 118 41.108 21.246 44.904 1.00 72.58 O +ATOM 451 CB LEU A 118 38.008 21.722 44.438 1.00 63.34 C +ATOM 452 CG LEU A 118 36.936 22.085 43.392 1.00 62.30 C +ATOM 453 CD1 LEU A 118 35.964 23.105 43.935 1.00 59.67 C +ATOM 454 CD2 LEU A 118 37.527 22.638 42.156 1.00 61.37 C +ATOM 455 N HIS A 119 40.042 19.562 45.993 1.00 71.54 N +ATOM 456 CA HIS A 119 41.165 19.344 46.929 1.00 71.87 C +ATOM 457 C HIS A 119 42.397 18.961 46.165 1.00 72.81 C +ATOM 458 O HIS A 119 43.481 19.305 46.574 1.00 75.18 O +ATOM 459 CB HIS A 119 40.910 18.230 47.941 1.00 73.30 C +ATOM 460 CG HIS A 119 39.987 18.612 49.046 1.00 71.37 C +ATOM 461 ND1 HIS A 119 40.277 19.624 49.942 1.00 73.50 N +ATOM 462 CD2 HIS A 119 38.788 18.097 49.427 1.00 72.53 C +ATOM 463 CE1 HIS A 119 39.287 19.729 50.819 1.00 75.67 C +ATOM 464 NE2 HIS A 119 38.372 18.809 50.532 1.00 74.56 N +ATOM 465 N GLU A 120 42.226 18.265 45.042 1.00 74.46 N +ATOM 466 CA GLU A 120 43.355 17.848 44.188 1.00 76.32 C +ATOM 467 C GLU A 120 43.865 18.923 43.171 1.00 75.95 C +ATOM 468 O GLU A 120 44.823 18.679 42.401 1.00 75.17 O +ATOM 469 CB GLU A 120 42.993 16.541 43.443 1.00 82.08 C +ATOM 470 CG GLU A 120 42.252 15.400 44.245 1.00 86.68 C +ATOM 471 CD GLU A 120 42.797 15.181 45.674 1.00103.89 C +ATOM 472 OE1 GLU A 120 41.970 15.000 46.599 1.00109.62 O +ATOM 473 OE2 GLU A 120 44.040 15.205 45.892 1.00106.52 O +ATOM 474 N CYS A 121 43.208 20.093 43.144 1.00 73.94 N +ATOM 475 CA CYS A 121 43.617 21.201 42.268 1.00 74.11 C +ATOM 476 C CYS A 121 44.623 22.074 43.012 1.00 74.67 C +ATOM 477 O CYS A 121 44.251 22.871 43.874 1.00 78.25 O +ATOM 478 CB CYS A 121 42.410 22.053 41.840 1.00 69.85 C +ATOM 479 SG CYS A 121 41.257 21.213 40.721 1.00 78.30 S +ATOM 480 N ASN A 122 45.901 21.918 42.706 1.00 76.04 N +ATOM 481 CA ASN A 122 46.946 22.697 43.387 1.00 72.69 C +ATOM 482 C ASN A 122 47.855 23.222 42.316 1.00 71.94 C +ATOM 483 O ASN A 122 48.562 22.455 41.664 1.00 69.26 O +ATOM 484 CB AASN A 122 47.626 21.832 44.431 0.65 76.03 C +ATOM 485 CB BASN A 122 47.737 21.825 44.403 0.35 74.15 C +ATOM 486 CG AASN A 122 46.669 21.456 45.549 0.65 76.24 C +ATOM 487 CG BASN A 122 48.855 22.606 45.189 0.35 72.95 C +ATOM 488 OD1AASN A 122 46.276 20.295 45.686 0.65 77.98 O +ATOM 489 OD1BASN A 122 49.979 22.122 45.316 0.35 62.86 O +ATOM 490 ND2AASN A 122 46.247 22.458 46.328 0.65 73.77 N +ATOM 491 ND2BASN A 122 48.522 23.770 45.738 0.35 69.10 N +ATOM 492 N SER A 123 47.753 24.537 42.099 1.00 68.02 N +ATOM 493 CA SER A 123 48.505 25.222 41.053 1.00 67.33 C +ATOM 494 C SER A 123 48.594 26.680 41.484 1.00 67.46 C +ATOM 495 O SER A 123 47.668 27.184 42.093 1.00 66.48 O +ATOM 496 CB SER A 123 47.821 25.051 39.691 1.00 64.91 C +ATOM 497 OG SER A 123 48.269 26.010 38.752 1.00 63.20 O +ATOM 498 N PRO A 124 49.747 27.338 41.259 1.00 70.40 N +ATOM 499 CA PRO A 124 49.840 28.765 41.595 1.00 68.76 C +ATOM 500 C PRO A 124 48.924 29.613 40.702 1.00 67.95 C +ATOM 501 O PRO A 124 48.824 30.843 40.898 1.00 68.94 O +ATOM 502 CB PRO A 124 51.324 29.112 41.288 1.00 71.51 C +ATOM 503 CG PRO A 124 51.816 28.024 40.396 1.00 70.77 C +ATOM 504 CD PRO A 124 51.051 26.790 40.814 1.00 73.54 C +ATOM 505 N TYR A 125 48.302 28.973 39.715 1.00 64.26 N +ATOM 506 CA TYR A 125 47.426 29.669 38.787 1.00 64.05 C +ATOM 507 C TYR A 125 45.914 29.345 39.000 1.00 62.11 C +ATOM 508 O TYR A 125 45.088 29.697 38.188 1.00 62.15 O +ATOM 509 CB TYR A 125 47.861 29.422 37.349 1.00 64.59 C +ATOM 510 CG TYR A 125 49.338 29.703 37.098 1.00 76.53 C +ATOM 511 CD1 TYR A 125 50.233 28.670 36.819 1.00 75.66 C +ATOM 512 CD2 TYR A 125 49.845 31.012 37.147 1.00 76.35 C +ATOM 513 CE1 TYR A 125 51.580 28.934 36.597 1.00 79.23 C +ATOM 514 CE2 TYR A 125 51.176 31.270 36.905 1.00 75.30 C +ATOM 515 CZ TYR A 125 52.045 30.236 36.637 1.00 77.08 C +ATOM 516 OH TYR A 125 53.384 30.512 36.402 1.00 77.27 O +ATOM 517 N ILE A 126 45.564 28.745 40.128 1.00 57.68 N +ATOM 518 CA ILE A 126 44.234 28.283 40.356 1.00 54.71 C +ATOM 519 C ILE A 126 43.966 28.688 41.759 1.00 55.22 C +ATOM 520 O ILE A 126 44.789 28.400 42.627 1.00 52.20 O +ATOM 521 CB ILE A 126 44.159 26.726 40.299 1.00 52.66 C +ATOM 522 CG1 ILE A 126 44.323 26.231 38.866 1.00 54.90 C +ATOM 523 CG2 ILE A 126 42.851 26.218 40.857 1.00 50.14 C +ATOM 524 CD1 ILE A 126 43.491 26.905 37.824 1.00 56.25 C +ATOM 525 N VAL A 127 42.805 29.319 42.005 1.00 55.02 N +ATOM 526 CA VAL A 127 42.451 29.722 43.370 1.00 54.95 C +ATOM 527 C VAL A 127 42.442 28.526 44.342 1.00 55.02 C +ATOM 528 O VAL A 127 42.035 27.446 43.987 1.00 53.69 O +ATOM 529 CB VAL A 127 41.151 30.554 43.384 1.00 58.84 C +ATOM 530 CG1 VAL A 127 40.687 30.852 44.784 1.00 48.54 C +ATOM 531 CG2 VAL A 127 41.350 31.867 42.600 1.00 51.74 C +ATOM 532 N GLY A 128 43.041 28.700 45.519 1.00 56.68 N +ATOM 533 CA GLY A 128 43.073 27.665 46.540 1.00 54.62 C +ATOM 534 C GLY A 128 41.675 27.288 46.962 1.00 56.69 C +ATOM 535 O GLY A 128 40.786 28.112 46.928 1.00 60.97 O +ATOM 536 N PHE A 129 41.497 26.036 47.362 1.00 58.28 N +ATOM 537 CA PHE A 129 40.237 25.481 47.795 1.00 55.29 C +ATOM 538 C PHE A 129 40.446 24.869 49.169 1.00 56.77 C +ATOM 539 O PHE A 129 41.440 24.150 49.383 1.00 56.94 O +ATOM 540 CB PHE A 129 39.813 24.386 46.834 1.00 56.41 C +ATOM 541 CG PHE A 129 38.585 23.602 47.268 1.00 59.79 C +ATOM 542 CD1 PHE A 129 38.714 22.275 47.729 1.00 62.53 C +ATOM 543 CD2 PHE A 129 37.285 24.160 47.174 1.00 55.16 C +ATOM 544 CE1 PHE A 129 37.562 21.495 48.066 1.00 62.87 C +ATOM 545 CE2 PHE A 129 36.111 23.398 47.539 1.00 58.72 C +ATOM 546 CZ PHE A 129 36.245 22.058 47.958 1.00 55.79 C +ATOM 547 N TYR A 130 39.496 25.151 50.075 1.00 57.20 N +ATOM 548 CA TYR A 130 39.492 24.643 51.446 1.00 58.60 C +ATOM 549 C TYR A 130 38.484 23.522 51.680 1.00 63.30 C +ATOM 550 O TYR A 130 38.802 22.559 52.377 1.00 69.47 O +ATOM 551 CB TYR A 130 39.243 25.769 52.441 1.00 58.00 C +ATOM 552 CG TYR A 130 40.356 26.771 52.464 1.00 60.82 C +ATOM 553 CD1 TYR A 130 41.646 26.420 52.907 1.00 65.77 C +ATOM 554 CD2 TYR A 130 40.141 28.071 52.056 1.00 58.84 C +ATOM 555 CE1 TYR A 130 42.688 27.360 52.918 1.00 67.02 C +ATOM 556 CE2 TYR A 130 41.193 29.018 52.065 1.00 57.28 C +ATOM 557 CZ TYR A 130 42.443 28.660 52.485 1.00 67.84 C +ATOM 558 OH TYR A 130 43.448 29.638 52.474 1.00 77.57 O +ATOM 559 N GLY A 131 37.271 23.643 51.123 1.00 63.44 N +ATOM 560 CA GLY A 131 36.290 22.578 51.183 1.00 62.09 C +ATOM 561 C GLY A 131 34.908 23.025 50.748 1.00 66.32 C +ATOM 562 O GLY A 131 34.640 24.234 50.566 1.00 64.50 O +ATOM 563 N ALA A 132 34.014 22.033 50.619 1.00 68.11 N +ATOM 564 CA ALA A 132 32.672 22.238 50.097 1.00 67.96 C +ATOM 565 C ALA A 132 31.692 21.492 50.958 1.00 72.53 C +ATOM 566 O ALA A 132 31.950 20.335 51.345 1.00 73.92 O +ATOM 567 CB ALA A 132 32.568 21.743 48.681 1.00 64.66 C +ATOM 568 N PHE A 133 30.555 22.137 51.247 1.00 71.81 N +ATOM 569 CA PHE A 133 29.551 21.484 52.051 1.00 73.83 C +ATOM 570 C PHE A 133 28.154 22.067 51.793 1.00 77.10 C +ATOM 571 O PHE A 133 28.023 23.054 51.065 1.00 77.40 O +ATOM 572 CB PHE A 133 29.958 21.518 53.540 1.00 70.85 C +ATOM 573 CG PHE A 133 30.014 22.902 54.125 1.00 66.90 C +ATOM 574 CD1 PHE A 133 31.192 23.642 54.076 1.00 65.04 C +ATOM 575 CD2 PHE A 133 28.898 23.471 54.721 1.00 60.44 C +ATOM 576 CE1 PHE A 133 31.262 24.921 54.589 1.00 61.14 C +ATOM 577 CE2 PHE A 133 28.972 24.760 55.250 1.00 64.06 C +ATOM 578 CZ PHE A 133 30.157 25.479 55.181 1.00 62.52 C +ATOM 579 N TYR A 134 27.132 21.443 52.389 1.00 79.96 N +ATOM 580 CA TYR A 134 25.750 21.832 52.184 1.00 84.46 C +ATOM 581 C TYR A 134 25.131 22.295 53.492 1.00 86.54 C +ATOM 582 O TYR A 134 25.281 21.612 54.502 1.00 87.15 O +ATOM 583 CB TYR A 134 24.937 20.653 51.623 1.00 86.86 C +ATOM 584 CG TYR A 134 23.483 20.988 51.564 1.00 93.84 C +ATOM 585 CD1 TYR A 134 22.606 20.619 52.600 1.00 98.09 C +ATOM 586 CD2 TYR A 134 22.982 21.738 50.499 1.00 99.89 C +ATOM 587 CE1 TYR A 134 21.257 20.974 52.549 1.00104.72 C +ATOM 588 CE2 TYR A 134 21.641 22.084 50.429 1.00103.12 C +ATOM 589 CZ TYR A 134 20.798 21.707 51.453 1.00107.56 C +ATOM 590 OH TYR A 134 19.498 22.078 51.357 1.00117.89 O +ATOM 591 N SER A 135 24.402 23.414 53.470 1.00 88.66 N +ATOM 592 CA SER A 135 23.897 23.991 54.703 1.00 91.68 C +ATOM 593 C SER A 135 22.395 24.343 54.703 1.00 98.43 C +ATOM 594 O SER A 135 21.549 23.497 55.093 1.00103.29 O +ATOM 595 CB SER A 135 24.779 25.159 55.152 1.00 89.27 C +ATOM 596 OG SER A 135 24.322 25.703 56.373 1.00 92.71 O +ATOM 597 N ASP A 136 22.011 25.564 54.328 1.00 99.31 N +ATOM 598 CA ASP A 136 20.556 25.897 54.491 1.00102.42 C +ATOM 599 C ASP A 136 19.902 26.123 53.162 1.00101.48 C +ATOM 600 O ASP A 136 19.557 27.264 52.829 1.00102.69 O +ATOM 601 CB ASP A 136 20.330 27.121 55.381 1.00104.08 C +ATOM 602 CG ASP A 136 20.099 26.750 56.840 1.00112.97 C +ATOM 603 OD1 ASP A 136 21.112 26.544 57.549 1.00113.74 O +ATOM 604 OD2 ASP A 136 18.912 26.670 57.278 1.00125.61 O +ATOM 605 N GLY A 137 19.757 25.042 52.396 1.00 99.13 N +ATOM 606 CA GLY A 137 19.456 25.155 50.975 1.00 99.17 C +ATOM 607 C GLY A 137 20.601 25.753 50.173 1.00 94.86 C +ATOM 608 O GLY A 137 20.407 26.106 48.999 1.00 98.42 O +ATOM 609 N GLU A 138 21.787 25.830 50.792 1.00 90.20 N +ATOM 610 CA GLU A 138 22.992 26.455 50.216 1.00 86.17 C +ATOM 611 C GLU A 138 24.138 25.463 50.029 1.00 82.82 C +ATOM 612 O GLU A 138 24.380 24.603 50.869 1.00 84.45 O +ATOM 613 CB GLU A 138 23.502 27.592 51.107 1.00 84.40 C +ATOM 614 CG GLU A 138 22.499 28.711 51.426 1.00 90.64 C +ATOM 615 CD GLU A 138 22.122 29.572 50.217 1.00 98.50 C +ATOM 616 OE1 GLU A 138 22.697 29.400 49.114 1.00 97.17 O +ATOM 617 OE2 GLU A 138 21.234 30.437 50.371 1.00104.90 O +ATOM 618 N ILE A 139 24.839 25.570 48.913 1.00 79.73 N +ATOM 619 CA ILE A 139 26.050 24.804 48.737 1.00 74.17 C +ATOM 620 C ILE A 139 27.147 25.781 48.939 1.00 69.80 C +ATOM 621 O ILE A 139 27.132 26.852 48.339 1.00 70.20 O +ATOM 622 CB ILE A 139 26.113 24.137 47.376 1.00 74.18 C +ATOM 623 CG1 ILE A 139 25.390 22.798 47.518 1.00 79.12 C +ATOM 624 CG2 ILE A 139 27.574 23.870 46.969 1.00 72.22 C +ATOM 625 CD1 ILE A 139 24.881 22.207 46.253 1.00 91.31 C +ATOM 626 N SER A 140 28.066 25.442 49.832 1.00 67.77 N +ATOM 627 CA SER A 140 29.155 26.347 50.192 1.00 64.97 C +ATOM 628 C SER A 140 30.407 25.853 49.545 1.00 63.85 C +ATOM 629 O SER A 140 30.773 24.666 49.685 1.00 63.96 O +ATOM 630 CB SER A 140 29.359 26.411 51.714 1.00 66.15 C +ATOM 631 OG SER A 140 28.524 27.406 52.336 1.00 65.04 O +ATOM 632 N ILE A 141 31.064 26.756 48.824 1.00 61.97 N +ATOM 633 CA ILE A 141 32.437 26.511 48.384 1.00 59.93 C +ATOM 634 C ILE A 141 33.358 27.529 49.067 1.00 58.74 C +ATOM 635 O ILE A 141 33.132 28.747 48.987 1.00 58.79 O +ATOM 636 CB ILE A 141 32.550 26.561 46.849 1.00 59.82 C +ATOM 637 CG1 ILE A 141 31.593 25.567 46.226 1.00 63.82 C +ATOM 638 CG2 ILE A 141 33.945 26.240 46.380 1.00 56.95 C +ATOM 639 CD1 ILE A 141 31.427 25.736 44.797 1.00 65.57 C +ATOM 640 N CYS A 142 34.366 27.025 49.770 1.00 58.30 N +ATOM 641 CA CYS A 142 35.280 27.878 50.537 1.00 55.99 C +ATOM 642 C CYS A 142 36.640 27.885 49.913 1.00 57.20 C +ATOM 643 O CYS A 142 37.304 26.831 49.801 1.00 54.78 O +ATOM 644 CB CYS A 142 35.398 27.344 51.934 1.00 55.44 C +ATOM 645 SG CYS A 142 33.820 27.251 52.779 1.00 63.43 S +ATOM 646 N MET A 143 37.075 29.087 49.544 1.00 57.41 N +ATOM 647 CA MET A 143 38.290 29.270 48.773 1.00 56.92 C +ATOM 648 C MET A 143 39.235 30.183 49.527 1.00 57.88 C +ATOM 649 O MET A 143 38.855 30.922 50.484 1.00 56.67 O +ATOM 650 CB MET A 143 37.990 30.068 47.501 1.00 54.28 C +ATOM 651 CG MET A 143 37.096 29.523 46.517 1.00 61.37 C +ATOM 652 SD MET A 143 36.167 30.890 45.635 1.00 67.85 S +ATOM 653 CE MET A 143 37.510 31.743 44.919 1.00 69.94 C +ATOM 654 N GLU A 144 40.448 30.227 48.995 1.00 57.73 N +ATOM 655 CA GLU A 144 41.444 31.252 49.352 1.00 58.26 C +ATOM 656 C GLU A 144 40.878 32.629 49.047 1.00 57.15 C +ATOM 657 O GLU A 144 40.275 32.830 47.986 1.00 55.87 O +ATOM 658 CB GLU A 144 42.685 30.987 48.499 1.00 59.15 C +ATOM 659 CG GLU A 144 43.545 32.139 48.238 1.00 56.28 C +ATOM 660 CD GLU A 144 44.760 31.756 47.393 1.00 64.05 C +ATOM 661 OE1 GLU A 144 45.758 32.469 47.484 1.00 69.39 O +ATOM 662 OE2 GLU A 144 44.732 30.783 46.618 1.00 60.17 O +ATOM 663 N HIS A 145 41.089 33.581 49.946 1.00 56.26 N +ATOM 664 CA HIS A 145 40.545 34.918 49.752 1.00 55.96 C +ATOM 665 C HIS A 145 41.592 35.752 48.979 1.00 58.84 C +ATOM 666 O HIS A 145 42.748 35.829 49.358 1.00 57.83 O +ATOM 667 CB HIS A 145 40.192 35.550 51.101 1.00 55.59 C +ATOM 668 CG HIS A 145 40.119 37.043 51.070 1.00 60.88 C +ATOM 669 ND1 HIS A 145 41.088 37.846 51.636 1.00 67.34 N +ATOM 670 CD2 HIS A 145 39.213 37.887 50.516 1.00 67.39 C +ATOM 671 CE1 HIS A 145 40.783 39.119 51.434 1.00 69.04 C +ATOM 672 NE2 HIS A 145 39.646 39.171 50.760 1.00 69.00 N +ATOM 673 N MET A 146 41.204 36.337 47.860 1.00 59.02 N +ATOM 674 CA MET A 146 42.166 37.095 47.086 1.00 59.24 C +ATOM 675 C MET A 146 41.903 38.570 47.306 1.00 60.87 C +ATOM 676 O MET A 146 40.921 39.133 46.788 1.00 62.20 O +ATOM 677 CB MET A 146 42.098 36.730 45.618 1.00 55.85 C +ATOM 678 CG MET A 146 42.235 35.257 45.393 1.00 55.04 C +ATOM 679 SD MET A 146 43.947 34.682 45.268 1.00 60.24 S +ATOM 680 CE MET A 146 44.564 35.618 43.842 1.00 48.39 C +ATOM 681 N ASP A 147 42.807 39.183 48.071 1.00 67.18 N +ATOM 682 CA ASP A 147 42.640 40.529 48.586 1.00 64.58 C +ATOM 683 C ASP A 147 42.674 41.584 47.494 1.00 61.14 C +ATOM 684 O ASP A 147 42.385 42.754 47.729 1.00 63.89 O +ATOM 685 CB ASP A 147 43.669 40.793 49.689 1.00 67.49 C +ATOM 686 CG ASP A 147 45.127 40.786 49.184 1.00 73.67 C +ATOM 687 OD1 ASP A 147 46.019 41.183 49.988 1.00 75.66 O +ATOM 688 OD2 ASP A 147 45.387 40.408 48.007 1.00 71.47 O +ATOM 689 N GLY A 148 43.032 41.154 46.296 1.00 58.88 N +ATOM 690 CA GLY A 148 43.062 42.028 45.144 1.00 60.11 C +ATOM 691 C GLY A 148 41.769 42.061 44.356 1.00 63.02 C +ATOM 692 O GLY A 148 41.606 42.921 43.495 1.00 64.90 O +ATOM 693 N GLY A 149 40.841 41.140 44.649 1.00 62.05 N +ATOM 694 CA GLY A 149 39.613 41.040 43.894 1.00 61.04 C +ATOM 695 C GLY A 149 39.812 40.403 42.526 1.00 61.77 C +ATOM 696 O GLY A 149 40.844 39.751 42.259 1.00 60.39 O +ATOM 697 N SER A 150 38.813 40.600 41.666 1.00 61.07 N +ATOM 698 CA SER A 150 38.837 40.142 40.288 1.00 60.81 C +ATOM 699 C SER A 150 39.255 41.282 39.413 1.00 62.00 C +ATOM 700 O SER A 150 39.207 42.459 39.803 1.00 64.15 O +ATOM 701 CB SER A 150 37.453 39.718 39.852 1.00 61.11 C +ATOM 702 OG SER A 150 36.502 40.633 40.371 1.00 70.49 O +ATOM 703 N LEU A 151 39.635 40.908 38.207 1.00 61.32 N +ATOM 704 CA LEU A 151 40.106 41.818 37.222 1.00 60.27 C +ATOM 705 C LEU A 151 39.059 42.760 36.680 1.00 63.01 C +ATOM 706 O LEU A 151 39.397 43.867 36.269 1.00 66.07 O +ATOM 707 CB LEU A 151 40.761 41.042 36.093 1.00 60.09 C +ATOM 708 CG LEU A 151 42.205 40.629 36.422 1.00 59.70 C +ATOM 709 CD1 LEU A 151 42.920 40.043 35.183 1.00 53.54 C +ATOM 710 CD2 LEU A 151 43.036 41.798 37.069 1.00 56.35 C +ATOM 711 N ASP A 152 37.793 42.368 36.656 1.00 63.11 N +ATOM 712 CA ASP A 152 36.769 43.386 36.388 1.00 67.04 C +ATOM 713 C ASP A 152 36.719 44.459 37.445 1.00 66.61 C +ATOM 714 O ASP A 152 36.450 45.593 37.102 1.00 70.15 O +ATOM 715 CB ASP A 152 35.350 42.812 36.197 1.00 67.57 C +ATOM 716 CG ASP A 152 34.851 42.172 37.429 1.00 74.02 C +ATOM 717 OD1 ASP A 152 33.698 42.444 37.794 1.00 78.57 O +ATOM 718 OD2 ASP A 152 35.655 41.449 38.084 1.00 84.39 O +ATOM 719 N GLN A 153 36.938 44.113 38.718 1.00 67.30 N +ATOM 720 CA GLN A 153 36.944 45.132 39.772 1.00 70.13 C +ATOM 721 C GLN A 153 38.176 46.010 39.559 1.00 70.77 C +ATOM 722 O GLN A 153 38.113 47.230 39.687 1.00 74.46 O +ATOM 723 CB GLN A 153 37.000 44.522 41.179 1.00 70.11 C +ATOM 724 CG GLN A 153 35.720 43.934 41.662 1.00 71.25 C +ATOM 725 CD GLN A 153 35.838 43.132 42.974 1.00 74.14 C +ATOM 726 OE1 GLN A 153 36.635 42.192 43.107 1.00 77.11 O +ATOM 727 NE2 GLN A 153 35.006 43.488 43.936 1.00 77.33 N +ATOM 728 N VAL A 154 39.286 45.360 39.238 1.00 65.74 N +ATOM 729 CA VAL A 154 40.531 46.037 39.002 1.00 67.78 C +ATOM 730 C VAL A 154 40.388 46.996 37.813 1.00 71.26 C +ATOM 731 O VAL A 154 40.754 48.156 37.922 1.00 75.03 O +ATOM 732 CB VAL A 154 41.688 45.019 38.768 1.00 65.73 C +ATOM 733 CG1 VAL A 154 42.864 45.693 38.116 1.00 60.65 C +ATOM 734 CG2 VAL A 154 42.074 44.347 40.075 1.00 56.47 C +ATOM 735 N LEU A 155 39.852 46.516 36.697 1.00 69.64 N +ATOM 736 CA LEU A 155 39.554 47.355 35.530 1.00 72.45 C +ATOM 737 C LEU A 155 38.683 48.555 35.868 1.00 76.61 C +ATOM 738 O LEU A 155 38.816 49.623 35.280 1.00 79.19 O +ATOM 739 CB LEU A 155 38.847 46.535 34.448 1.00 69.35 C +ATOM 740 CG LEU A 155 38.654 47.178 33.081 1.00 69.63 C +ATOM 741 CD1 LEU A 155 40.045 47.470 32.447 1.00 75.24 C +ATOM 742 CD2 LEU A 155 37.787 46.245 32.180 1.00 59.01 C +ATOM 743 N LYS A 156 37.781 48.384 36.817 1.00 80.09 N +ATOM 744 CA LYS A 156 36.846 49.454 37.124 1.00 85.66 C +ATOM 745 C LYS A 156 37.573 50.613 37.792 1.00 87.42 C +ATOM 746 O LYS A 156 37.303 51.763 37.459 1.00 89.24 O +ATOM 747 CB LYS A 156 35.685 48.961 37.979 1.00 86.18 C +ATOM 748 CG LYS A 156 34.364 49.538 37.528 1.00 96.83 C +ATOM 749 CD LYS A 156 33.301 49.434 38.614 1.00108.65 C +ATOM 750 CE LYS A 156 32.386 50.679 38.660 1.00109.91 C +ATOM 751 NZ LYS A 156 31.512 50.603 39.879 1.00110.43 N +ATOM 752 N LYS A 157 38.504 50.302 38.698 1.00 85.77 N +ATOM 753 CA LYS A 157 39.316 51.327 39.347 1.00 89.64 C +ATOM 754 C LYS A 157 40.418 51.844 38.417 1.00 90.55 C +ATOM 755 O LYS A 157 40.677 53.032 38.391 1.00 94.47 O +ATOM 756 CB LYS A 157 39.891 50.849 40.687 1.00 88.77 C +ATOM 757 CG LYS A 157 38.912 50.959 41.899 1.00 97.72 C +ATOM 758 CD LYS A 157 39.032 52.298 42.714 1.00107.06 C +ATOM 759 CE LYS A 157 37.830 52.483 43.693 1.00111.51 C +ATOM 760 NZ LYS A 157 37.585 53.903 44.173 1.00102.08 N +ATOM 761 N ALA A 158 41.020 50.964 37.622 1.00 89.18 N +ATOM 762 CA ALA A 158 42.151 51.300 36.735 1.00 89.30 C +ATOM 763 C ALA A 158 41.770 51.929 35.396 1.00 90.68 C +ATOM 764 O ALA A 158 42.604 52.544 34.726 1.00 92.32 O +ATOM 765 CB ALA A 158 42.993 50.042 36.469 1.00 89.22 C +ATOM 766 N GLY A 159 40.526 51.740 34.977 1.00 90.31 N +ATOM 767 CA GLY A 159 40.084 52.278 33.698 1.00 90.72 C +ATOM 768 C GLY A 159 40.511 51.422 32.518 1.00 88.37 C +ATOM 769 O GLY A 159 39.702 51.106 31.655 1.00 90.71 O +ATOM 770 N ARG A 160 41.780 51.030 32.484 1.00 85.76 N +ATOM 771 CA ARG A 160 42.363 50.347 31.326 1.00 81.73 C +ATOM 772 C ARG A 160 43.563 49.640 31.875 1.00 79.70 C +ATOM 773 O ARG A 160 44.280 50.217 32.705 1.00 84.31 O +ATOM 774 CB ARG A 160 42.833 51.369 30.304 1.00 82.10 C +ATOM 775 CG ARG A 160 42.540 51.023 28.885 1.00 85.06 C +ATOM 776 CD ARG A 160 43.389 51.861 27.913 1.00 92.52 C +ATOM 777 NE ARG A 160 42.737 53.105 27.505 1.00103.01 N +ATOM 778 CZ ARG A 160 43.122 54.327 27.888 1.00111.13 C +ATOM 779 NH1 ARG A 160 44.164 54.490 28.700 1.00113.25 N +ATOM 780 NH2 ARG A 160 42.460 55.396 27.461 1.00115.32 N +ATOM 781 N ILE A 161 43.780 48.397 31.464 1.00 74.36 N +ATOM 782 CA ILE A 161 44.948 47.666 31.952 1.00 73.68 C +ATOM 783 C ILE A 161 46.122 47.702 30.968 1.00 73.64 C +ATOM 784 O ILE A 161 45.937 47.479 29.787 1.00 71.74 O +ATOM 785 CB ILE A 161 44.582 46.260 32.443 1.00 69.98 C +ATOM 786 CG1 ILE A 161 43.693 46.427 33.690 1.00 71.46 C +ATOM 787 CG2 ILE A 161 45.816 45.499 32.805 1.00 68.30 C +ATOM 788 CD1 ILE A 161 43.126 45.180 34.288 1.00 64.00 C +ATOM 789 N PRO A 162 47.335 48.048 31.449 1.00 75.72 N +ATOM 790 CA PRO A 162 48.459 48.144 30.490 1.00 76.64 C +ATOM 791 C PRO A 162 48.809 46.807 29.829 1.00 74.02 C +ATOM 792 O PRO A 162 48.673 45.748 30.446 1.00 73.51 O +ATOM 793 CB PRO A 162 49.635 48.673 31.336 1.00 77.94 C +ATOM 794 CG PRO A 162 49.069 49.138 32.627 1.00 76.96 C +ATOM 795 CD PRO A 162 47.695 48.518 32.800 1.00 77.40 C +ATOM 796 N GLU A 163 49.215 46.876 28.569 1.00 74.75 N +ATOM 797 CA GLU A 163 49.737 45.721 27.827 1.00 77.20 C +ATOM 798 C GLU A 163 50.745 44.809 28.558 1.00 78.04 C +ATOM 799 O GLU A 163 50.640 43.573 28.544 1.00 77.84 O +ATOM 800 CB GLU A 163 50.427 46.215 26.570 1.00 78.04 C +ATOM 801 CG GLU A 163 50.819 45.093 25.672 1.00 76.83 C +ATOM 802 CD GLU A 163 51.119 45.543 24.272 1.00 81.43 C +ATOM 803 OE1 GLU A 163 50.891 46.747 23.930 1.00 85.60 O +ATOM 804 OE2 GLU A 163 51.610 44.666 23.528 1.00 83.76 O +ATOM 805 N GLN A 164 51.744 45.419 29.166 1.00 80.82 N +ATOM 806 CA GLN A 164 52.759 44.642 29.845 1.00 82.70 C +ATOM 807 C GLN A 164 52.092 43.768 30.905 1.00 77.56 C +ATOM 808 O GLN A 164 52.452 42.586 31.069 1.00 78.46 O +ATOM 809 CB GLN A 164 53.851 45.549 30.433 1.00 83.85 C +ATOM 810 CG GLN A 164 54.293 46.653 29.492 1.00 96.21 C +ATOM 811 CD GLN A 164 55.824 46.870 29.505 1.00109.71 C +ATOM 812 OE1 GLN A 164 56.471 46.854 30.568 1.00109.15 O +ATOM 813 NE2 GLN A 164 56.399 47.076 28.318 1.00107.74 N +ATOM 814 N ILE A 165 51.127 44.352 31.607 1.00 73.53 N +ATOM 815 CA ILE A 165 50.378 43.621 32.629 1.00 71.27 C +ATOM 816 C ILE A 165 49.433 42.579 32.029 1.00 66.27 C +ATOM 817 O ILE A 165 49.356 41.440 32.511 1.00 64.89 O +ATOM 818 CB ILE A 165 49.569 44.566 33.522 1.00 76.00 C +ATOM 819 CG1 ILE A 165 50.472 45.676 34.121 1.00 74.73 C +ATOM 820 CG2 ILE A 165 48.756 43.767 34.547 1.00 66.72 C +ATOM 821 CD1 ILE A 165 51.182 45.279 35.380 1.00 76.34 C +ATOM 822 N LEU A 166 48.731 42.938 30.968 1.00 63.66 N +ATOM 823 CA LEU A 166 47.912 41.926 30.319 1.00 63.38 C +ATOM 824 C LEU A 166 48.756 40.725 29.912 1.00 64.04 C +ATOM 825 O LEU A 166 48.250 39.586 29.866 1.00 59.35 O +ATOM 826 CB LEU A 166 47.140 42.498 29.138 1.00 61.39 C +ATOM 827 CG LEU A 166 46.072 43.462 29.657 1.00 65.28 C +ATOM 828 CD1 LEU A 166 45.238 43.990 28.525 1.00 59.40 C +ATOM 829 CD2 LEU A 166 45.191 42.773 30.716 1.00 60.83 C +ATOM 830 N GLY A 167 50.045 40.998 29.619 1.00 66.99 N +ATOM 831 CA GLY A 167 51.011 39.967 29.267 1.00 64.12 C +ATOM 832 C GLY A 167 51.079 38.945 30.394 1.00 63.52 C +ATOM 833 O GLY A 167 51.022 37.728 30.168 1.00 61.32 O +ATOM 834 N LYS A 168 51.163 39.434 31.624 1.00 61.15 N +ATOM 835 CA LYS A 168 51.241 38.525 32.751 1.00 63.51 C +ATOM 836 C LYS A 168 49.918 37.801 33.008 1.00 65.29 C +ATOM 837 O LYS A 168 49.912 36.595 33.330 1.00 68.09 O +ATOM 838 CB LYS A 168 51.707 39.277 33.983 1.00 65.47 C +ATOM 839 CG LYS A 168 53.100 39.954 33.766 1.00 71.32 C +ATOM 840 CD LYS A 168 54.273 38.917 33.565 1.00 74.14 C +ATOM 841 CE LYS A 168 55.647 39.603 33.358 1.00 77.03 C +ATOM 842 NZ LYS A 168 56.793 38.694 33.112 1.00 69.92 N +ATOM 843 N VAL A 169 48.803 38.517 32.816 1.00 62.13 N +ATOM 844 CA VAL A 169 47.537 37.929 32.980 1.00 56.87 C +ATOM 845 C VAL A 169 47.448 36.808 31.974 1.00 58.29 C +ATOM 846 O VAL A 169 47.038 35.689 32.304 1.00 60.11 O +ATOM 847 CB VAL A 169 46.476 38.964 32.756 1.00 60.81 C +ATOM 848 CG1 VAL A 169 45.118 38.329 32.675 1.00 51.41 C +ATOM 849 CG2 VAL A 169 46.478 39.981 33.888 1.00 59.33 C +ATOM 850 N SER A 170 47.890 37.056 30.753 1.00 57.77 N +ATOM 851 CA SER A 170 47.700 36.050 29.703 1.00 56.50 C +ATOM 852 C SER A 170 48.460 34.781 30.008 1.00 59.31 C +ATOM 853 O SER A 170 47.994 33.689 29.712 1.00 60.77 O +ATOM 854 CB SER A 170 48.154 36.573 28.348 1.00 59.07 C +ATOM 855 OG SER A 170 47.546 37.822 28.013 1.00 62.53 O +ATOM 856 N ILE A 171 49.633 34.922 30.609 1.00 59.43 N +ATOM 857 CA ILE A 171 50.445 33.780 30.939 1.00 59.78 C +ATOM 858 C ILE A 171 49.781 32.974 32.039 1.00 58.06 C +ATOM 859 O ILE A 171 49.697 31.750 31.954 1.00 56.79 O +ATOM 860 CB ILE A 171 51.888 34.233 31.372 1.00 63.85 C +ATOM 861 CG1 ILE A 171 52.738 34.539 30.141 1.00 68.84 C +ATOM 862 CG2 ILE A 171 52.587 33.176 32.202 1.00 58.79 C +ATOM 863 CD1 ILE A 171 53.888 35.529 30.383 1.00 66.24 C +ATOM 864 N ALA A 172 49.308 33.669 33.069 1.00 55.93 N +ATOM 865 CA ALA A 172 48.572 33.003 34.139 1.00 57.45 C +ATOM 866 C ALA A 172 47.301 32.276 33.629 1.00 57.17 C +ATOM 867 O ALA A 172 46.963 31.192 34.105 1.00 56.62 O +ATOM 868 CB ALA A 172 48.212 33.979 35.241 1.00 56.41 C +ATOM 869 N VAL A 173 46.612 32.841 32.645 1.00 54.95 N +ATOM 870 CA VAL A 173 45.416 32.173 32.202 1.00 53.12 C +ATOM 871 C VAL A 173 45.756 30.924 31.422 1.00 51.89 C +ATOM 872 O VAL A 173 45.193 29.855 31.630 1.00 52.18 O +ATOM 873 CB VAL A 173 44.456 33.110 31.438 1.00 53.85 C +ATOM 874 CG1 VAL A 173 43.312 32.361 30.936 1.00 48.72 C +ATOM 875 CG2 VAL A 173 43.959 34.234 32.351 1.00 48.98 C +ATOM 876 N ILE A 174 46.713 31.043 30.542 1.00 55.04 N +ATOM 877 CA ILE A 174 47.101 29.921 29.716 1.00 55.90 C +ATOM 878 C ILE A 174 47.649 28.823 30.609 1.00 57.56 C +ATOM 879 O ILE A 174 47.373 27.637 30.405 1.00 56.57 O +ATOM 880 CB ILE A 174 48.147 30.409 28.803 1.00 60.13 C +ATOM 881 CG1 ILE A 174 47.497 31.242 27.716 1.00 59.39 C +ATOM 882 CG2 ILE A 174 49.023 29.294 28.233 1.00 63.51 C +ATOM 883 CD1 ILE A 174 48.607 31.959 26.899 1.00 73.91 C +ATOM 884 N LYS A 175 48.390 29.218 31.636 1.00 59.33 N +ATOM 885 CA LYS A 175 49.027 28.217 32.475 1.00 60.73 C +ATOM 886 C LYS A 175 47.982 27.514 33.330 1.00 59.72 C +ATOM 887 O LYS A 175 48.112 26.300 33.637 1.00 60.67 O +ATOM 888 CB LYS A 175 50.173 28.815 33.302 1.00 63.08 C +ATOM 889 CG LYS A 175 51.507 29.060 32.488 1.00 66.16 C +ATOM 890 CD LYS A 175 52.682 29.414 33.436 1.00 68.28 C +ATOM 891 CE LYS A 175 54.045 29.593 32.733 1.00 78.22 C +ATOM 892 NZ LYS A 175 54.815 28.326 32.734 1.00 83.12 N +ATOM 893 N GLY A 176 46.942 28.266 33.710 1.00 54.82 N +ATOM 894 CA GLY A 176 45.833 27.703 34.487 1.00 51.25 C +ATOM 895 C GLY A 176 44.929 26.786 33.663 1.00 51.78 C +ATOM 896 O GLY A 176 44.564 25.685 34.100 1.00 52.56 O +ATOM 897 N LEU A 177 44.627 27.187 32.431 1.00 49.59 N +ATOM 898 CA LEU A 177 43.788 26.363 31.579 1.00 48.07 C +ATOM 899 C LEU A 177 44.532 25.058 31.267 1.00 54.63 C +ATOM 900 O LEU A 177 43.901 23.948 31.198 1.00 55.96 O +ATOM 901 CB LEU A 177 43.389 27.135 30.345 1.00 44.76 C +ATOM 902 CG LEU A 177 42.553 28.407 30.579 1.00 48.02 C +ATOM 903 CD1 LEU A 177 42.125 29.139 29.299 1.00 44.24 C +ATOM 904 CD2 LEU A 177 41.344 28.036 31.342 1.00 48.08 C +ATOM 905 N THR A 178 45.872 25.166 31.157 1.00 53.37 N +ATOM 906 CA THR A 178 46.706 24.039 30.772 1.00 53.60 C +ATOM 907 C THR A 178 46.681 23.081 31.952 1.00 56.33 C +ATOM 908 O THR A 178 46.550 21.842 31.782 1.00 56.44 O +ATOM 909 CB THR A 178 48.148 24.522 30.448 1.00 57.01 C +ATOM 910 OG1 THR A 178 48.118 25.357 29.285 1.00 56.90 O +ATOM 911 CG2 THR A 178 49.097 23.389 30.214 1.00 53.70 C +ATOM 912 N TYR A 179 46.774 23.654 33.157 1.00 53.96 N +ATOM 913 CA TYR A 179 46.802 22.824 34.333 1.00 54.49 C +ATOM 914 C TYR A 179 45.516 22.032 34.432 1.00 57.70 C +ATOM 915 O TYR A 179 45.551 20.809 34.623 1.00 58.19 O +ATOM 916 CB TYR A 179 47.005 23.651 35.591 1.00 54.76 C +ATOM 917 CG TYR A 179 46.863 22.816 36.861 1.00 55.50 C +ATOM 918 CD1 TYR A 179 47.941 22.057 37.361 1.00 59.25 C +ATOM 919 CD2 TYR A 179 45.634 22.733 37.523 1.00 58.90 C +ATOM 920 CE1 TYR A 179 47.785 21.253 38.512 1.00 62.81 C +ATOM 921 CE2 TYR A 179 45.476 21.935 38.661 1.00 63.89 C +ATOM 922 CZ TYR A 179 46.553 21.210 39.154 1.00 63.93 C +ATOM 923 OH TYR A 179 46.380 20.462 40.292 1.00 71.26 O +ATOM 924 N LEU A 180 44.380 22.725 34.272 1.00 56.82 N +ATOM 925 CA LEU A 180 43.109 22.051 34.375 1.00 57.70 C +ATOM 926 C LEU A 180 42.938 20.934 33.342 1.00 60.52 C +ATOM 927 O LEU A 180 42.440 19.849 33.665 1.00 61.83 O +ATOM 928 CB LEU A 180 41.996 23.062 34.272 1.00 56.53 C +ATOM 929 CG LEU A 180 41.867 23.975 35.495 1.00 56.40 C +ATOM 930 CD1 LEU A 180 40.832 24.999 35.126 1.00 46.05 C +ATOM 931 CD2 LEU A 180 41.522 23.240 36.787 1.00 47.73 C +ATOM 932 N ARG A 181 43.375 21.201 32.110 1.00 62.27 N +ATOM 933 CA ARG A 181 43.275 20.226 31.034 1.00 65.22 C +ATOM 934 C ARG A 181 44.201 19.055 31.248 1.00 67.71 C +ATOM 935 O ARG A 181 43.759 17.927 31.197 1.00 69.95 O +ATOM 936 CB ARG A 181 43.519 20.858 29.662 1.00 63.87 C +ATOM 937 CG ARG A 181 42.968 20.033 28.504 1.00 72.34 C +ATOM 938 CD ARG A 181 43.651 20.305 27.130 1.00 93.06 C +ATOM 939 NE ARG A 181 45.025 19.765 27.047 1.00106.68 N +ATOM 940 CZ ARG A 181 46.140 20.509 26.965 1.00108.45 C +ATOM 941 NH1 ARG A 181 47.342 19.928 26.910 1.00101.76 N +ATOM 942 NH2 ARG A 181 46.057 21.839 26.924 1.00102.03 N +ATOM 943 N GLU A 182 45.477 19.320 31.512 1.00 70.67 N +ATOM 944 CA GLU A 182 46.464 18.251 31.609 1.00 76.00 C +ATOM 945 C GLU A 182 46.248 17.385 32.826 1.00 77.51 C +ATOM 946 O GLU A 182 46.293 16.157 32.712 1.00 81.51 O +ATOM 947 CB GLU A 182 47.891 18.800 31.628 1.00 79.10 C +ATOM 948 CG GLU A 182 48.395 19.313 30.269 1.00 91.79 C +ATOM 949 CD GLU A 182 49.931 19.392 30.186 1.00112.40 C +ATOM 950 OE1 GLU A 182 50.624 18.912 31.122 1.00120.26 O +ATOM 951 OE2 GLU A 182 50.450 19.930 29.175 1.00117.80 O +ATOM 952 N LYS A 183 46.002 18.004 33.984 1.00 74.69 N +ATOM 953 CA LYS A 183 45.949 17.243 35.216 1.00 75.81 C +ATOM 954 C LYS A 183 44.561 16.780 35.593 1.00 74.84 C +ATOM 955 O LYS A 183 44.418 15.758 36.299 1.00 74.43 O +ATOM 956 CB LYS A 183 46.584 18.009 36.374 1.00 77.13 C +ATOM 957 CG LYS A 183 47.953 18.578 36.068 1.00 81.69 C +ATOM 958 CD LYS A 183 49.014 17.513 35.853 1.00 93.37 C +ATOM 959 CE LYS A 183 50.324 18.164 35.396 1.00 97.82 C +ATOM 960 NZ LYS A 183 51.320 17.177 34.863 1.00105.92 N +ATOM 961 N HIS A 184 43.544 17.518 35.130 1.00 71.41 N +ATOM 962 CA HIS A 184 42.161 17.171 35.472 1.00 71.24 C +ATOM 963 C HIS A 184 41.191 16.854 34.305 1.00 71.58 C +ATOM 964 O HIS A 184 40.115 16.298 34.500 1.00 72.89 O +ATOM 965 CB HIS A 184 41.631 18.175 36.484 1.00 67.19 C +ATOM 966 CG HIS A 184 42.490 18.265 37.705 1.00 70.44 C +ATOM 967 ND1 HIS A 184 42.399 17.360 38.742 1.00 69.84 N +ATOM 968 CD2 HIS A 184 43.498 19.116 38.034 1.00 70.59 C +ATOM 969 CE1 HIS A 184 43.303 17.657 39.664 1.00 72.83 C +ATOM 970 NE2 HIS A 184 43.993 18.710 39.252 1.00 73.91 N +ATOM 971 N LYS A 185 41.595 17.146 33.083 1.00 71.98 N +ATOM 972 CA LYS A 185 40.804 16.758 31.915 1.00 73.73 C +ATOM 973 C LYS A 185 39.538 17.566 31.865 1.00 71.03 C +ATOM 974 O LYS A 185 38.487 17.061 31.515 1.00 74.91 O +ATOM 975 CB LYS A 185 40.464 15.264 31.929 1.00 77.51 C +ATOM 976 CG LYS A 185 41.668 14.340 31.830 1.00 89.47 C +ATOM 977 CD LYS A 185 41.248 12.914 31.429 1.00108.57 C +ATOM 978 CE LYS A 185 42.463 11.957 31.299 1.00117.11 C +ATOM 979 NZ LYS A 185 43.626 12.516 30.516 1.00112.96 N +ATOM 980 N ILE A 186 39.625 18.831 32.224 1.00 68.27 N +ATOM 981 CA ILE A 186 38.466 19.686 32.150 1.00 66.36 C +ATOM 982 C ILE A 186 38.740 21.068 31.574 1.00 64.74 C +ATOM 983 O ILE A 186 39.832 21.636 31.710 1.00 62.16 O +ATOM 984 CB ILE A 186 37.840 19.906 33.525 1.00 66.98 C +ATOM 985 CG1 ILE A 186 38.763 20.724 34.394 1.00 60.77 C +ATOM 986 CG2 ILE A 186 37.425 18.567 34.172 1.00 67.26 C +ATOM 987 CD1 ILE A 186 38.142 20.974 35.718 1.00 73.72 C +ATOM 988 N MET A 187 37.706 21.607 30.951 1.00 61.71 N +ATOM 989 CA MET A 187 37.747 22.953 30.475 1.00 58.70 C +ATOM 990 C MET A 187 37.265 23.890 31.541 1.00 57.68 C +ATOM 991 O MET A 187 36.692 23.493 32.545 1.00 61.27 O +ATOM 992 CB MET A 187 36.949 23.069 29.183 1.00 59.25 C +ATOM 993 CG MET A 187 35.498 22.686 29.231 1.00 60.05 C +ATOM 994 SD MET A 187 34.551 23.260 27.764 1.00 64.14 S +ATOM 995 CE MET A 187 34.746 25.069 27.578 1.00 47.96 C +ATOM 996 N HIS A 188 37.525 25.159 31.360 1.00 59.09 N +ATOM 997 CA HIS A 188 37.082 26.113 32.352 1.00 56.32 C +ATOM 998 C HIS A 188 35.552 26.327 32.308 1.00 57.33 C +ATOM 999 O HIS A 188 34.860 26.066 33.297 1.00 57.62 O +ATOM 1000 CB HIS A 188 37.812 27.438 32.201 1.00 50.80 C +ATOM 1001 CG HIS A 188 37.547 28.357 33.340 1.00 52.43 C +ATOM 1002 ND1 HIS A 188 38.474 28.611 34.325 1.00 57.71 N +ATOM 1003 CD2 HIS A 188 36.420 28.991 33.718 1.00 47.84 C +ATOM 1004 CE1 HIS A 188 37.945 29.407 35.234 1.00 56.69 C +ATOM 1005 NE2 HIS A 188 36.697 29.645 34.897 1.00 48.90 N +ATOM 1006 N ARG A 189 35.067 26.824 31.163 1.00 55.67 N +ATOM 1007 CA ARG A 189 33.646 27.094 30.877 1.00 55.87 C +ATOM 1008 C ARG A 189 33.158 28.462 31.212 1.00 55.95 C +ATOM 1009 O ARG A 189 32.054 28.820 30.853 1.00 59.87 O +ATOM 1010 CB ARG A 189 32.718 26.075 31.501 1.00 54.19 C +ATOM 1011 CG ARG A 189 32.631 24.837 30.722 1.00 54.86 C +ATOM 1012 CD ARG A 189 31.640 23.891 31.324 1.00 57.59 C +ATOM 1013 NE ARG A 189 31.071 22.976 30.338 1.00 72.09 N +ATOM 1014 CZ ARG A 189 31.558 21.761 30.044 1.00 77.38 C +ATOM 1015 NH1 ARG A 189 32.651 21.284 30.640 1.00 75.90 N +ATOM 1016 NH2 ARG A 189 30.932 21.004 29.146 1.00 84.75 N +ATOM 1017 N ASP A 190 33.973 29.237 31.904 1.00 56.59 N +ATOM 1018 CA ASP A 190 33.532 30.541 32.342 1.00 55.22 C +ATOM 1019 C ASP A 190 34.708 31.458 32.548 1.00 53.11 C +ATOM 1020 O ASP A 190 34.892 32.022 33.616 1.00 53.80 O +ATOM 1021 CB ASP A 190 32.713 30.412 33.620 1.00 54.59 C +ATOM 1022 CG ASP A 190 31.747 31.602 33.845 1.00 60.75 C +ATOM 1023 OD1 ASP A 190 31.160 31.660 34.994 1.00 57.60 O +ATOM 1024 OD2 ASP A 190 31.573 32.453 32.901 1.00 55.19 O +ATOM 1025 N VAL A 191 35.494 31.630 31.497 1.00 53.45 N +ATOM 1026 CA VAL A 191 36.615 32.537 31.556 1.00 50.63 C +ATOM 1027 C VAL A 191 36.082 33.899 31.285 1.00 53.33 C +ATOM 1028 O VAL A 191 35.421 34.118 30.264 1.00 55.78 O +ATOM 1029 CB VAL A 191 37.695 32.158 30.535 1.00 52.25 C +ATOM 1030 CG1 VAL A 191 38.754 33.223 30.501 1.00 45.79 C +ATOM 1031 CG2 VAL A 191 38.335 30.803 30.905 1.00 44.27 C +ATOM 1032 N LYS A 192 36.325 34.807 32.228 1.00 52.45 N +ATOM 1033 CA LYS A 192 35.972 36.209 32.092 1.00 51.08 C +ATOM 1034 C LYS A 192 36.699 37.009 33.178 1.00 54.42 C +ATOM 1035 O LYS A 192 37.134 36.399 34.166 1.00 54.09 O +ATOM 1036 CB LYS A 192 34.431 36.408 32.154 1.00 52.09 C +ATOM 1037 CG LYS A 192 33.677 35.745 33.297 1.00 51.01 C +ATOM 1038 CD LYS A 192 32.225 36.218 33.376 1.00 51.25 C +ATOM 1039 CE LYS A 192 31.497 35.395 34.419 1.00 60.10 C +ATOM 1040 NZ LYS A 192 30.341 36.019 35.101 1.00 62.45 N +ATOM 1041 N PRO A 193 36.790 38.369 33.049 1.00 55.33 N +ATOM 1042 CA PRO A 193 37.546 39.108 34.055 1.00 56.92 C +ATOM 1043 C PRO A 193 37.169 38.834 35.505 1.00 58.32 C +ATOM 1044 O PRO A 193 38.052 38.785 36.372 1.00 62.02 O +ATOM 1045 CB PRO A 193 37.268 40.585 33.712 1.00 58.67 C +ATOM 1046 CG PRO A 193 37.061 40.568 32.226 1.00 55.52 C +ATOM 1047 CD PRO A 193 36.324 39.264 31.966 1.00 54.77 C +ATOM 1048 N SER A 194 35.897 38.644 35.787 1.00 56.03 N +ATOM 1049 CA SER A 194 35.494 38.488 37.176 1.00 55.75 C +ATOM 1050 C SER A 194 35.912 37.138 37.774 1.00 55.54 C +ATOM 1051 O SER A 194 35.820 36.958 39.000 1.00 59.20 O +ATOM 1052 CB SER A 194 33.975 38.650 37.314 1.00 54.59 C +ATOM 1053 OG SER A 194 33.321 37.457 36.853 1.00 59.26 O +ATOM 1054 N ASN A 195 36.270 36.176 36.930 1.00 50.00 N +ATOM 1055 CA ASN A 195 36.743 34.904 37.414 1.00 51.29 C +ATOM 1056 C ASN A 195 38.286 34.811 37.307 1.00 52.13 C +ATOM 1057 O ASN A 195 38.845 33.709 37.318 1.00 51.60 O +ATOM 1058 CB ASN A 195 36.102 33.773 36.635 1.00 48.21 C +ATOM 1059 CG ASN A 195 34.638 33.618 36.950 1.00 56.78 C +ATOM 1060 OD1 ASN A 195 34.142 34.117 37.978 1.00 63.93 O +ATOM 1061 ND2 ASN A 195 33.923 32.921 36.080 1.00 52.44 N +ATOM 1062 N ILE A 196 38.951 35.955 37.142 1.00 49.85 N +ATOM 1063 CA ILE A 196 40.394 36.020 37.288 1.00 52.28 C +ATOM 1064 C ILE A 196 40.677 36.902 38.478 1.00 53.89 C +ATOM 1065 O ILE A 196 40.407 38.093 38.476 1.00 56.07 O +ATOM 1066 CB ILE A 196 41.091 36.574 36.055 1.00 54.78 C +ATOM 1067 CG1 ILE A 196 40.651 35.783 34.813 1.00 51.40 C +ATOM 1068 CG2 ILE A 196 42.623 36.516 36.233 1.00 55.20 C +ATOM 1069 CD1 ILE A 196 40.965 36.473 33.532 1.00 53.56 C +ATOM 1070 N LEU A 197 41.187 36.267 39.514 1.00 54.14 N +ATOM 1071 CA LEU A 197 41.436 36.898 40.784 1.00 54.91 C +ATOM 1072 C LEU A 197 42.947 37.182 40.961 1.00 57.46 C +ATOM 1073 O LEU A 197 43.801 36.473 40.423 1.00 58.79 O +ATOM 1074 CB LEU A 197 40.903 35.979 41.855 1.00 55.62 C +ATOM 1075 CG LEU A 197 39.439 35.528 41.667 1.00 53.01 C +ATOM 1076 CD1 LEU A 197 38.969 34.770 42.861 1.00 50.88 C +ATOM 1077 CD2 LEU A 197 38.584 36.753 41.589 1.00 53.72 C +ATOM 1078 N VAL A 198 43.269 38.253 41.671 1.00 57.01 N +ATOM 1079 CA VAL A 198 44.634 38.722 41.814 1.00 56.29 C +ATOM 1080 C VAL A 198 44.823 39.050 43.285 1.00 60.95 C +ATOM 1081 O VAL A 198 43.827 39.275 44.002 1.00 63.23 O +ATOM 1082 CB VAL A 198 44.923 39.984 40.941 1.00 56.24 C +ATOM 1083 CG1 VAL A 198 44.828 39.652 39.483 1.00 58.05 C +ATOM 1084 CG2 VAL A 198 43.994 41.165 41.277 1.00 52.71 C +ATOM 1085 N ASN A 199 46.071 39.071 43.764 1.00 63.29 N +ATOM 1086 CA ASN A 199 46.302 39.422 45.171 1.00 65.38 C +ATOM 1087 C ASN A 199 47.529 40.281 45.349 1.00 70.83 C +ATOM 1088 O ASN A 199 48.251 40.553 44.369 1.00 71.18 O +ATOM 1089 CB ASN A 199 46.328 38.183 46.079 1.00 66.01 C +ATOM 1090 CG ASN A 199 47.519 37.271 45.831 1.00 66.43 C +ATOM 1091 OD1 ASN A 199 48.468 37.642 45.161 1.00 78.33 O +ATOM 1092 ND2 ASN A 199 47.474 36.072 46.390 1.00 63.59 N +ATOM 1093 N SER A 200 47.769 40.698 46.595 1.00 73.95 N +ATOM 1094 CA SER A 200 48.860 41.626 46.902 1.00 76.25 C +ATOM 1095 C SER A 200 50.214 40.973 46.792 1.00 79.30 C +ATOM 1096 O SER A 200 51.233 41.656 46.635 1.00 81.51 O +ATOM 1097 CB SER A 200 48.695 42.277 48.273 1.00 75.37 C +ATOM 1098 OG SER A 200 48.519 41.283 49.242 1.00 76.96 O +ATOM 1099 N ARG A 201 50.270 39.653 46.855 1.00 79.72 N +ATOM 1100 CA ARG A 201 51.580 39.085 46.665 1.00 79.25 C +ATOM 1101 C ARG A 201 51.848 38.825 45.198 1.00 77.02 C +ATOM 1102 O ARG A 201 52.853 38.236 44.845 1.00 78.16 O +ATOM 1103 CB ARG A 201 51.877 37.946 47.641 1.00 80.67 C +ATOM 1104 CG ARG A 201 51.276 36.641 47.367 1.00 84.26 C +ATOM 1105 CD ARG A 201 51.681 35.646 48.448 1.00 96.46 C +ATOM 1106 NE ARG A 201 51.241 36.030 49.790 1.00108.67 N +ATOM 1107 CZ ARG A 201 52.055 36.424 50.778 1.00124.07 C +ATOM 1108 NH1 ARG A 201 53.380 36.516 50.596 1.00130.87 N +ATOM 1109 NH2 ARG A 201 51.548 36.736 51.966 1.00124.34 N +ATOM 1110 N GLY A 202 50.962 39.341 44.340 1.00 76.35 N +ATOM 1111 CA GLY A 202 51.221 39.440 42.887 1.00 74.15 C +ATOM 1112 C GLY A 202 50.725 38.289 42.025 1.00 70.58 C +ATOM 1113 O GLY A 202 50.990 38.225 40.812 1.00 66.99 O +ATOM 1114 N GLU A 203 50.004 37.383 42.665 1.00 69.33 N +ATOM 1115 CA GLU A 203 49.547 36.177 42.017 1.00 69.61 C +ATOM 1116 C GLU A 203 48.274 36.411 41.229 1.00 68.75 C +ATOM 1117 O GLU A 203 47.451 37.256 41.604 1.00 68.19 O +ATOM 1118 CB GLU A 203 49.321 35.102 43.048 1.00 70.48 C +ATOM 1119 CG GLU A 203 50.593 34.662 43.720 1.00 75.54 C +ATOM 1120 CD GLU A 203 50.298 33.962 44.999 1.00 78.59 C +ATOM 1121 OE1 GLU A 203 50.913 32.919 45.255 1.00 78.36 O +ATOM 1122 OE2 GLU A 203 49.415 34.443 45.740 1.00 83.46 O +ATOM 1123 N ILE A 204 48.139 35.655 40.135 1.00 66.49 N +ATOM 1124 CA ILE A 204 47.007 35.746 39.226 1.00 62.11 C +ATOM 1125 C ILE A 204 46.392 34.353 39.066 1.00 61.85 C +ATOM 1126 O ILE A 204 47.057 33.411 38.616 1.00 59.88 O +ATOM 1127 CB ILE A 204 47.464 36.264 37.884 1.00 60.92 C +ATOM 1128 CG1 ILE A 204 48.319 37.516 38.087 1.00 61.56 C +ATOM 1129 CG2 ILE A 204 46.277 36.552 36.979 1.00 58.99 C +ATOM 1130 CD1 ILE A 204 48.968 38.000 36.824 1.00 56.13 C +ATOM 1131 N LYS A 205 45.112 34.232 39.420 1.00 59.34 N +ATOM 1132 CA LYS A 205 44.517 32.916 39.566 1.00 57.60 C +ATOM 1133 C LYS A 205 43.120 32.836 39.002 1.00 55.59 C +ATOM 1134 O LYS A 205 42.374 33.790 39.066 1.00 56.75 O +ATOM 1135 CB LYS A 205 44.506 32.525 41.038 1.00 58.20 C +ATOM 1136 CG LYS A 205 45.860 32.511 41.653 1.00 58.66 C +ATOM 1137 CD LYS A 205 45.792 31.808 42.977 1.00 66.53 C +ATOM 1138 CE LYS A 205 47.127 31.869 43.721 1.00 64.07 C +ATOM 1139 NZ LYS A 205 47.091 30.950 44.879 1.00 66.59 N +ATOM 1140 N LEU A 206 42.793 31.678 38.438 1.00 53.93 N +ATOM 1141 CA LEU A 206 41.475 31.325 37.923 1.00 49.84 C +ATOM 1142 C LEU A 206 40.604 30.695 39.011 1.00 52.05 C +ATOM 1143 O LEU A 206 41.076 29.921 39.876 1.00 52.77 O +ATOM 1144 CB LEU A 206 41.588 30.301 36.778 1.00 47.26 C +ATOM 1145 CG LEU A 206 42.436 30.645 35.557 1.00 48.96 C +ATOM 1146 CD1 LEU A 206 42.370 29.542 34.562 1.00 58.64 C +ATOM 1147 CD2 LEU A 206 41.957 31.833 34.879 1.00 50.46 C +ATOM 1148 N CYS A 207 39.320 31.012 38.932 1.00 49.83 N +ATOM 1149 CA CYS A 207 38.344 30.488 39.826 1.00 52.14 C +ATOM 1150 C CYS A 207 37.085 30.108 39.046 1.00 51.46 C +ATOM 1151 O CYS A 207 37.008 30.347 37.864 1.00 52.87 O +ATOM 1152 CB ACYS A 207 38.025 31.443 40.979 0.65 50.61 C +ATOM 1153 CB BCYS A 207 38.006 31.592 40.806 0.35 51.91 C +ATOM 1154 SG ACYS A 207 37.051 32.860 40.533 0.65 54.54 S +ATOM 1155 SG BCYS A 207 37.030 31.044 42.121 0.35 59.90 S +ATOM 1156 N ASP A 208 36.111 29.512 39.714 1.00 53.68 N +ATOM 1157 CA ASP A 208 34.789 29.275 39.093 1.00 56.94 C +ATOM 1158 C ASP A 208 34.809 28.419 37.791 1.00 54.68 C +ATOM 1159 O ASP A 208 34.026 28.630 36.869 1.00 52.61 O +ATOM 1160 CB ASP A 208 34.038 30.601 38.927 1.00 54.98 C +ATOM 1161 CG ASP A 208 33.795 31.315 40.270 1.00 60.40 C +ATOM 1162 OD1 ASP A 208 34.035 30.732 41.376 1.00 60.78 O +ATOM 1163 OD2 ASP A 208 33.371 32.498 40.215 1.00 62.49 O +ATOM 1164 N PHE A 209 35.691 27.424 37.748 1.00 54.08 N +ATOM 1165 CA PHE A 209 35.670 26.451 36.655 1.00 55.20 C +ATOM 1166 C PHE A 209 34.736 25.275 36.993 1.00 56.66 C +ATOM 1167 O PHE A 209 34.417 25.017 38.176 1.00 56.11 O +ATOM 1168 CB PHE A 209 37.086 25.974 36.300 1.00 54.61 C +ATOM 1169 CG PHE A 209 37.920 25.723 37.470 1.00 50.00 C +ATOM 1170 CD1 PHE A 209 37.941 24.469 38.045 1.00 46.44 C +ATOM 1171 CD2 PHE A 209 38.657 26.774 38.052 1.00 55.03 C +ATOM 1172 CE1 PHE A 209 38.673 24.243 39.215 1.00 47.60 C +ATOM 1173 CE2 PHE A 209 39.388 26.564 39.204 1.00 52.57 C +ATOM 1174 CZ PHE A 209 39.411 25.278 39.771 1.00 52.55 C +ATOM 1175 N GLY A 210 34.308 24.567 35.961 1.00 54.09 N +ATOM 1176 CA GLY A 210 33.323 23.530 36.149 1.00 59.52 C +ATOM 1177 C GLY A 210 33.958 22.197 36.428 1.00 62.15 C +ATOM 1178 O GLY A 210 34.418 21.526 35.526 1.00 63.46 O +ATOM 1179 N VAL A 211 33.972 21.814 37.690 1.00 65.05 N +ATOM 1180 CA VAL A 211 34.497 20.526 38.060 1.00 69.12 C +ATOM 1181 C VAL A 211 33.359 19.549 38.185 1.00 72.57 C +ATOM 1182 O VAL A 211 33.597 18.338 38.150 1.00 75.89 O +ATOM 1183 CB VAL A 211 35.306 20.550 39.419 1.00 69.71 C +ATOM 1184 CG1 VAL A 211 36.492 21.515 39.323 1.00 72.14 C +ATOM 1185 CG2 VAL A 211 34.429 20.926 40.597 1.00 66.82 C +ATOM 1186 N SER A 212 32.138 20.054 38.375 1.00 70.85 N +ATOM 1187 CA SER A 212 31.066 19.143 38.717 1.00 76.80 C +ATOM 1188 C SER A 212 30.016 19.061 37.630 1.00 78.93 C +ATOM 1189 O SER A 212 29.251 20.010 37.405 1.00 79.04 O +ATOM 1190 CB SER A 212 30.448 19.471 40.074 1.00 77.19 C +ATOM 1191 OG SER A 212 29.168 18.874 40.189 1.00 79.72 O +ATOM 1192 N GLY A 213 29.994 17.905 36.965 1.00 81.88 N +ATOM 1193 CA GLY A 213 29.040 17.637 35.898 1.00 82.35 C +ATOM 1194 C GLY A 213 27.631 17.967 36.353 1.00 82.43 C +ATOM 1195 O GLY A 213 26.906 18.725 35.682 1.00 79.98 O +ATOM 1196 N GLN A 214 27.258 17.438 37.512 1.00 82.01 N +ATOM 1197 CA GLN A 214 25.921 17.689 38.017 1.00 85.90 C +ATOM 1198 C GLN A 214 25.650 19.146 38.347 1.00 86.51 C +ATOM 1199 O GLN A 214 24.492 19.560 38.299 1.00 89.83 O +ATOM 1200 CB GLN A 214 25.594 16.846 39.240 1.00 86.96 C +ATOM 1201 CG GLN A 214 24.149 16.967 39.658 1.00 91.74 C +ATOM 1202 CD GLN A 214 23.182 16.398 38.623 1.00 93.46 C +ATOM 1203 OE1 GLN A 214 22.753 17.094 37.708 1.00 97.63 O +ATOM 1204 NE2 GLN A 214 22.838 15.133 38.772 1.00 94.91 N +ATOM 1205 N LEU A 215 26.691 19.915 38.709 1.00 84.48 N +ATOM 1206 CA LEU A 215 26.469 21.304 39.120 1.00 82.02 C +ATOM 1207 C LEU A 215 26.302 22.158 37.878 1.00 82.52 C +ATOM 1208 O LEU A 215 25.421 23.025 37.823 1.00 82.19 O +ATOM 1209 CB LEU A 215 27.589 21.840 40.028 1.00 81.32 C +ATOM 1210 CG LEU A 215 27.397 23.241 40.652 1.00 74.94 C +ATOM 1211 CD1 LEU A 215 26.139 23.340 41.509 1.00 71.11 C +ATOM 1212 CD2 LEU A 215 28.570 23.641 41.442 1.00 71.39 C +ATOM 1213 N ILE A 216 27.143 21.909 36.875 1.00 82.33 N +ATOM 1214 CA ILE A 216 26.883 22.460 35.552 1.00 84.56 C +ATOM 1215 C ILE A 216 25.357 22.286 35.220 1.00 90.57 C +ATOM 1216 O ILE A 216 24.693 23.236 34.792 1.00 91.45 O +ATOM 1217 CB ILE A 216 27.781 21.815 34.486 1.00 82.03 C +ATOM 1218 CG1 ILE A 216 29.268 22.150 34.729 1.00 78.87 C +ATOM 1219 CG2 ILE A 216 27.369 22.293 33.103 1.00 84.77 C +ATOM 1220 CD1 ILE A 216 30.275 21.268 33.942 1.00 67.91 C +ATOM 1221 N ASP A 217 24.790 21.110 35.483 1.00 94.25 N +ATOM 1222 CA ASP A 217 23.371 20.916 35.223 1.00100.19 C +ATOM 1223 C ASP A 217 22.441 21.842 36.010 1.00101.19 C +ATOM 1224 O ASP A 217 21.703 22.621 35.398 1.00103.18 O +ATOM 1225 CB ASP A 217 22.961 19.449 35.395 1.00104.85 C +ATOM 1226 CG ASP A 217 23.439 18.572 34.242 1.00108.91 C +ATOM 1227 OD1 ASP A 217 23.958 19.111 33.233 1.00106.86 O +ATOM 1228 OD2 ASP A 217 23.298 17.337 34.354 1.00117.11 O +ATOM 1229 N SER A 218 22.473 21.781 37.340 1.00 99.44 N +ATOM 1230 CA SER A 218 21.489 22.513 38.121 1.00101.15 C +ATOM 1231 C SER A 218 21.648 24.015 37.968 1.00100.94 C +ATOM 1232 O SER A 218 20.841 24.797 38.426 1.00101.75 O +ATOM 1233 CB SER A 218 21.529 22.068 39.573 1.00102.41 C +ATOM 1234 OG SER A 218 21.800 20.677 39.626 1.00 98.39 O +ATOM 1235 N MET A 219 22.683 24.407 37.260 1.00103.70 N +ATOM 1236 CA MET A 219 22.956 25.813 37.058 1.00109.82 C +ATOM 1237 C MET A 219 22.709 26.277 35.620 1.00113.52 C +ATOM 1238 O MET A 219 22.999 27.439 35.274 1.00112.54 O +ATOM 1239 CB MET A 219 24.393 26.146 37.496 1.00106.76 C +ATOM 1240 CG MET A 219 24.537 26.308 39.025 1.00107.27 C +ATOM 1241 SD MET A 219 26.204 26.805 39.457 1.00 98.59 S +ATOM 1242 CE MET A 219 26.078 28.588 39.333 1.00102.05 C +ATOM 1243 N ALA A 220 22.165 25.376 34.797 1.00120.08 N +ATOM 1244 CA ALA A 220 21.942 25.638 33.367 1.00123.49 C +ATOM 1245 C ALA A 220 20.930 26.774 33.161 1.00127.43 C +ATOM 1246 O ALA A 220 21.048 27.580 32.223 1.00126.15 O +ATOM 1247 CB ALA A 220 21.483 24.359 32.661 1.00124.33 C +ATOM 1248 N ASN A 221 19.986 26.862 34.094 1.00133.50 N +ATOM 1249 CA ASN A 221 18.820 27.748 33.987 1.00140.00 C +ATOM 1250 C ASN A 221 18.959 29.284 33.889 1.00141.50 C +ATOM 1251 O ASN A 221 17.928 29.981 33.766 1.00145.22 O +ATOM 1252 CB ASN A 221 17.788 27.383 35.059 1.00142.44 C +ATOM 1253 CG ASN A 221 16.618 26.617 34.482 1.00146.17 C +ATOM 1254 OD1 ASN A 221 15.623 26.378 35.162 1.00149.35 O +ATOM 1255 ND2 ASN A 221 16.726 26.237 33.208 1.00143.20 N +ATOM 1256 N SER A 222 20.189 29.811 33.920 1.00139.60 N +ATOM 1257 CA SER A 222 20.403 31.262 33.802 1.00139.73 C +ATOM 1258 C SER A 222 21.817 31.657 33.398 1.00139.51 C +ATOM 1259 O SER A 222 22.804 30.976 33.740 1.00138.46 O +ATOM 1260 CB SER A 222 20.011 31.981 35.093 1.00139.88 C +ATOM 1261 OG SER A 222 20.386 31.196 36.201 1.00136.72 O +ATOM 1262 N PHE A 223 21.898 32.769 32.665 1.00141.09 N +ATOM 1263 CA PHE A 223 23.170 33.371 32.271 1.00139.79 C +ATOM 1264 C PHE A 223 23.069 34.909 32.270 1.00140.07 C +ATOM 1265 O PHE A 223 21.961 35.464 32.319 1.00141.74 O +ATOM 1266 CB PHE A 223 23.649 32.813 30.914 1.00139.54 C +ATOM 1267 CG PHE A 223 24.129 31.356 30.967 1.00142.33 C +ATOM 1268 CD1 PHE A 223 23.288 30.307 30.556 1.00146.55 C +ATOM 1269 CD2 PHE A 223 25.419 31.037 31.419 1.00143.42 C +ATOM 1270 CE1 PHE A 223 23.722 28.957 30.597 1.00146.62 C +ATOM 1271 CE2 PHE A 223 25.858 29.689 31.469 1.00144.63 C +ATOM 1272 CZ PHE A 223 25.005 28.651 31.050 1.00143.89 C +ATOM 1273 N VAL A 224 24.230 35.581 32.251 1.00138.73 N +ATOM 1274 CA VAL A 224 24.320 37.064 32.271 1.00137.77 C +ATOM 1275 C VAL A 224 23.661 37.664 31.019 1.00136.45 C +ATOM 1276 O VAL A 224 24.099 37.409 29.887 1.00136.12 O +ATOM 1277 CB VAL A 224 25.810 37.604 32.521 1.00137.56 C +ATOM 1278 CG1 VAL A 224 26.898 36.818 31.726 1.00133.39 C +ATOM 1279 CG2 VAL A 224 25.916 39.134 32.289 1.00139.99 C +ATOM 1280 N GLY A 225 22.595 38.434 31.238 1.00135.05 N +ATOM 1281 CA GLY A 225 21.716 38.925 30.163 1.00131.11 C +ATOM 1282 C GLY A 225 22.228 40.086 29.319 1.00127.28 C +ATOM 1283 O GLY A 225 21.647 40.378 28.286 1.00129.22 O +ATOM 1284 N THR A 226 23.287 40.768 29.763 1.00122.31 N +ATOM 1285 CA THR A 226 24.001 41.770 28.939 1.00117.87 C +ATOM 1286 C THR A 226 25.286 41.129 28.351 1.00111.60 C +ATOM 1287 O THR A 226 25.172 40.342 27.419 1.00113.48 O +ATOM 1288 CB THR A 226 24.294 43.108 29.701 1.00120.40 C +ATOM 1289 OG1 THR A 226 24.878 42.825 30.988 1.00121.87 O +ATOM 1290 CG2 THR A 226 23.012 43.943 29.875 1.00121.77 C +ATOM 1291 N ARG A 227 26.476 41.400 28.897 1.00101.14 N +ATOM 1292 CA ARG A 227 27.710 40.849 28.332 1.00 92.73 C +ATOM 1293 C ARG A 227 27.801 39.308 28.264 1.00 84.67 C +ATOM 1294 O ARG A 227 27.712 38.622 29.315 1.00 84.83 O +ATOM 1295 CB ARG A 227 28.965 41.303 29.115 1.00 93.44 C +ATOM 1296 CG ARG A 227 28.764 42.203 30.275 1.00 97.19 C +ATOM 1297 CD ARG A 227 29.406 43.532 30.010 1.00106.06 C +ATOM 1298 NE ARG A 227 30.684 43.738 30.707 1.00102.42 N +ATOM 1299 CZ ARG A 227 31.108 44.941 31.121 1.00112.16 C +ATOM 1300 NH1 ARG A 227 32.275 45.062 31.730 1.00110.64 N +ATOM 1301 NH2 ARG A 227 30.365 46.041 30.933 1.00110.49 N +ATOM 1302 N SER A 228 28.083 38.792 27.063 1.00 74.04 N +ATOM 1303 CA SER A 228 28.527 37.419 26.909 1.00 68.29 C +ATOM 1304 C SER A 228 29.993 37.218 26.511 1.00 65.71 C +ATOM 1305 O SER A 228 30.529 37.865 25.606 1.00 63.00 O +ATOM 1306 CB SER A 228 27.654 36.626 25.955 1.00 68.95 C +ATOM 1307 OG SER A 228 27.736 35.243 26.310 1.00 73.05 O +ATOM 1308 N TYR A 229 30.634 36.274 27.192 1.00 62.59 N +ATOM 1309 CA TYR A 229 31.985 35.873 26.818 1.00 58.16 C +ATOM 1310 C TYR A 229 31.940 34.518 26.156 1.00 56.16 C +ATOM 1311 O TYR A 229 32.951 33.869 26.042 1.00 55.37 O +ATOM 1312 CB TYR A 229 32.868 35.841 28.061 1.00 57.66 C +ATOM 1313 CG TYR A 229 32.951 37.168 28.731 1.00 55.00 C +ATOM 1314 CD1 TYR A 229 33.934 38.052 28.392 1.00 53.01 C +ATOM 1315 CD2 TYR A 229 31.988 37.577 29.643 1.00 60.21 C +ATOM 1316 CE1 TYR A 229 34.000 39.309 28.955 1.00 55.67 C +ATOM 1317 CE2 TYR A 229 32.049 38.849 30.228 1.00 57.61 C +ATOM 1318 CZ TYR A 229 33.062 39.704 29.865 1.00 59.46 C +ATOM 1319 OH TYR A 229 33.173 40.959 30.411 1.00 60.28 O +ATOM 1320 N MET A 230 30.757 34.078 25.736 1.00 54.95 N +ATOM 1321 CA MET A 230 30.642 32.766 25.153 1.00 55.09 C +ATOM 1322 C MET A 230 31.068 32.774 23.693 1.00 56.29 C +ATOM 1323 O MET A 230 30.790 33.738 22.944 1.00 55.30 O +ATOM 1324 CB MET A 230 29.224 32.274 25.252 1.00 58.81 C +ATOM 1325 CG MET A 230 28.939 31.683 26.569 1.00 67.29 C +ATOM 1326 SD MET A 230 27.302 30.937 26.570 1.00 73.84 S +ATOM 1327 CE MET A 230 27.204 30.542 28.331 1.00 58.46 C +ATOM 1328 N SER A 231 31.708 31.683 23.283 1.00 52.58 N +ATOM 1329 CA SER A 231 32.206 31.563 21.923 1.00 51.71 C +ATOM 1330 C SER A 231 31.046 31.451 21.000 1.00 52.36 C +ATOM 1331 O SER A 231 29.979 31.002 21.402 1.00 57.12 O +ATOM 1332 CB SER A 231 33.114 30.335 21.795 1.00 52.98 C +ATOM 1333 OG SER A 231 32.406 29.085 21.899 1.00 53.13 O +ATOM 1334 N PRO A 232 31.228 31.835 19.738 1.00 54.65 N +ATOM 1335 CA PRO A 232 30.140 31.641 18.772 1.00 54.28 C +ATOM 1336 C PRO A 232 29.685 30.192 18.668 1.00 57.25 C +ATOM 1337 O PRO A 232 28.483 29.959 18.477 1.00 60.71 O +ATOM 1338 CB PRO A 232 30.760 32.036 17.445 1.00 54.49 C +ATOM 1339 CG PRO A 232 31.972 32.774 17.768 1.00 54.55 C +ATOM 1340 CD PRO A 232 32.422 32.443 19.130 1.00 54.25 C +ATOM 1341 N GLU A 233 30.599 29.214 18.780 1.00 54.61 N +ATOM 1342 CA GLU A 233 30.153 27.814 18.659 1.00 56.50 C +ATOM 1343 C GLU A 233 29.296 27.386 19.841 1.00 57.29 C +ATOM 1344 O GLU A 233 28.315 26.662 19.651 1.00 60.56 O +ATOM 1345 CB GLU A 233 31.309 26.835 18.403 1.00 53.57 C +ATOM 1346 CG GLU A 233 32.205 26.622 19.564 1.00 55.82 C +ATOM 1347 CD GLU A 233 33.430 27.564 19.656 1.00 62.62 C +ATOM 1348 OE1 GLU A 233 33.460 28.669 19.032 1.00 59.96 O +ATOM 1349 OE2 GLU A 233 34.371 27.190 20.413 1.00 56.28 O +ATOM 1350 N ARG A 234 29.656 27.847 21.046 1.00 54.99 N +ATOM 1351 CA ARG A 234 28.862 27.602 22.242 1.00 54.79 C +ATOM 1352 C ARG A 234 27.525 28.361 22.233 1.00 58.32 C +ATOM 1353 O ARG A 234 26.513 27.834 22.702 1.00 59.89 O +ATOM 1354 CB ARG A 234 29.609 28.024 23.487 1.00 54.35 C +ATOM 1355 CG ARG A 234 29.102 27.337 24.686 1.00 54.11 C +ATOM 1356 CD ARG A 234 29.782 27.784 25.955 1.00 61.55 C +ATOM 1357 NE ARG A 234 29.011 27.368 27.140 1.00 64.89 N +ATOM 1358 CZ ARG A 234 29.430 27.542 28.393 1.00 70.59 C +ATOM 1359 NH1 ARG A 234 30.622 28.091 28.626 1.00 63.39 N +ATOM 1360 NH2 ARG A 234 28.676 27.150 29.409 1.00 64.12 N +ATOM 1361 N LEU A 235 27.500 29.597 21.733 1.00 54.69 N +ATOM 1362 CA LEU A 235 26.214 30.244 21.555 1.00 53.89 C +ATOM 1363 C LEU A 235 25.275 29.510 20.571 1.00 58.47 C +ATOM 1364 O LEU A 235 24.060 29.655 20.673 1.00 62.50 O +ATOM 1365 CB LEU A 235 26.390 31.691 21.146 1.00 53.08 C +ATOM 1366 CG LEU A 235 27.087 32.614 22.138 1.00 52.63 C +ATOM 1367 CD1 LEU A 235 27.450 33.849 21.413 1.00 54.09 C +ATOM 1368 CD2 LEU A 235 26.216 32.966 23.348 1.00 52.06 C +ATOM 1369 N GLN A 236 25.803 28.725 19.632 1.00 58.66 N +ATOM 1370 CA GLN A 236 24.959 28.082 18.642 1.00 59.30 C +ATOM 1371 C GLN A 236 24.589 26.632 18.915 1.00 62.79 C +ATOM 1372 O GLN A 236 23.679 26.116 18.285 1.00 67.68 O +ATOM 1373 CB GLN A 236 25.587 28.140 17.307 1.00 57.83 C +ATOM 1374 CG GLN A 236 25.805 29.528 16.836 1.00 63.24 C +ATOM 1375 CD GLN A 236 26.579 29.561 15.518 1.00 67.47 C +ATOM 1376 OE1 GLN A 236 26.034 29.276 14.438 1.00 74.65 O +ATOM 1377 NE2 GLN A 236 27.860 29.862 15.612 1.00 58.95 N +ATOM 1378 N GLY A 237 25.244 25.959 19.847 1.00 62.37 N +ATOM 1379 CA GLY A 237 24.911 24.553 20.001 1.00 64.58 C +ATOM 1380 C GLY A 237 25.726 23.853 21.038 1.00 66.32 C +ATOM 1381 O GLY A 237 26.359 24.500 21.841 1.00 63.46 O +ATOM 1382 N THR A 238 25.649 22.528 21.031 1.00 72.81 N +ATOM 1383 CA THR A 238 26.483 21.625 21.849 1.00 78.88 C +ATOM 1384 C THR A 238 27.941 21.527 21.333 1.00 79.60 C +ATOM 1385 O THR A 238 28.875 21.281 22.111 1.00 80.83 O +ATOM 1386 CB THR A 238 25.867 20.174 21.872 1.00 83.89 C +ATOM 1387 OG1 THR A 238 25.548 19.724 20.519 1.00 86.47 O +ATOM 1388 CG2 THR A 238 24.606 20.122 22.758 1.00 84.77 C +ATOM 1389 N HIS A 239 28.125 21.713 20.025 1.00 81.09 N +ATOM 1390 CA HIS A 239 29.417 21.472 19.388 1.00 81.62 C +ATOM 1391 C HIS A 239 30.493 22.474 19.857 1.00 77.41 C +ATOM 1392 O HIS A 239 30.927 23.336 19.080 1.00 76.46 O +ATOM 1393 CB HIS A 239 29.305 21.441 17.827 1.00 84.79 C +ATOM 1394 CG HIS A 239 28.439 20.332 17.293 1.00 89.05 C +ATOM 1395 ND1 HIS A 239 28.069 19.233 18.049 1.00 92.70 N +ATOM 1396 CD2 HIS A 239 27.875 20.153 16.073 1.00 92.12 C +ATOM 1397 CE1 HIS A 239 27.309 18.432 17.318 1.00 95.75 C +ATOM 1398 NE2 HIS A 239 27.175 18.968 16.116 1.00 91.70 N +ATOM 1399 N TYR A 240 30.920 22.344 21.118 1.00 72.25 N +ATOM 1400 CA TYR A 240 32.060 23.108 21.619 1.00 70.09 C +ATOM 1401 C TYR A 240 32.811 22.302 22.691 1.00 69.39 C +ATOM 1402 O TYR A 240 32.286 21.290 23.146 1.00 72.89 O +ATOM 1403 CB TYR A 240 31.601 24.449 22.198 1.00 69.84 C +ATOM 1404 CG TYR A 240 30.889 24.303 23.513 1.00 68.43 C +ATOM 1405 CD1 TYR A 240 31.581 24.459 24.724 1.00 69.13 C +ATOM 1406 CD2 TYR A 240 29.532 23.947 23.555 1.00 68.28 C +ATOM 1407 CE1 TYR A 240 30.927 24.292 25.964 1.00 68.93 C +ATOM 1408 CE2 TYR A 240 28.860 23.776 24.777 1.00 68.18 C +ATOM 1409 CZ TYR A 240 29.556 23.961 25.955 1.00 73.61 C +ATOM 1410 OH TYR A 240 28.884 23.820 27.119 1.00 82.96 O +ATOM 1411 N SER A 241 34.012 22.759 23.083 1.00 61.66 N +ATOM 1412 CA SER A 241 34.835 22.113 24.082 1.00 57.20 C +ATOM 1413 C SER A 241 35.929 23.125 24.493 1.00 54.02 C +ATOM 1414 O SER A 241 35.658 24.310 24.482 1.00 56.15 O +ATOM 1415 CB SER A 241 35.419 20.813 23.504 1.00 56.91 C +ATOM 1416 OG SER A 241 36.477 20.314 24.322 1.00 60.31 O +ATOM 1417 N VAL A 242 37.158 22.687 24.785 1.00 52.24 N +ATOM 1418 CA VAL A 242 38.209 23.549 25.350 1.00 51.71 C +ATOM 1419 C VAL A 242 38.521 24.770 24.530 1.00 53.97 C +ATOM 1420 O VAL A 242 38.884 25.780 25.087 1.00 54.84 O +ATOM 1421 CB VAL A 242 39.577 22.789 25.582 1.00 54.92 C +ATOM 1422 CG1 VAL A 242 39.452 21.766 26.693 1.00 59.15 C +ATOM 1423 CG2 VAL A 242 40.002 22.065 24.341 1.00 53.75 C +ATOM 1424 N GLN A 243 38.395 24.685 23.199 1.00 55.52 N +ATOM 1425 CA GLN A 243 38.719 25.799 22.346 1.00 52.58 C +ATOM 1426 C GLN A 243 37.847 26.990 22.683 1.00 52.68 C +ATOM 1427 O GLN A 243 38.220 28.142 22.464 1.00 54.29 O +ATOM 1428 CB GLN A 243 38.521 25.408 20.883 1.00 55.76 C +ATOM 1429 CG GLN A 243 39.718 24.732 20.204 1.00 55.52 C +ATOM 1430 CD GLN A 243 41.039 25.487 20.366 1.00 60.79 C +ATOM 1431 OE1 GLN A 243 41.671 25.453 21.447 1.00 54.58 O +ATOM 1432 NE2 GLN A 243 41.486 26.158 19.276 1.00 56.40 N +ATOM 1433 N SER A 244 36.666 26.708 23.206 1.00 52.03 N +ATOM 1434 CA SER A 244 35.765 27.761 23.640 1.00 52.73 C +ATOM 1435 C SER A 244 36.363 28.750 24.658 1.00 50.32 C +ATOM 1436 O SER A 244 36.064 29.947 24.640 1.00 51.58 O +ATOM 1437 CB SER A 244 34.486 27.154 24.178 1.00 51.23 C +ATOM 1438 OG SER A 244 33.531 28.181 24.167 1.00 52.77 O +ATOM 1439 N ASP A 245 37.191 28.226 25.549 1.00 50.59 N +ATOM 1440 CA ASP A 245 37.816 28.993 26.574 1.00 50.13 C +ATOM 1441 C ASP A 245 38.815 29.961 26.005 1.00 52.32 C +ATOM 1442 O ASP A 245 39.094 30.988 26.653 1.00 53.25 O +ATOM 1443 CB ASP A 245 38.521 28.047 27.521 1.00 50.47 C +ATOM 1444 CG ASP A 245 37.561 27.392 28.494 1.00 57.39 C +ATOM 1445 OD1 ASP A 245 36.444 27.963 28.758 1.00 55.36 O +ATOM 1446 OD2 ASP A 245 37.905 26.284 28.975 1.00 51.69 O +ATOM 1447 N ILE A 246 39.346 29.648 24.806 1.00 52.23 N +ATOM 1448 CA ILE A 246 40.342 30.484 24.158 1.00 52.06 C +ATOM 1449 C ILE A 246 39.658 31.734 23.711 1.00 55.18 C +ATOM 1450 O ILE A 246 40.183 32.851 23.918 1.00 52.81 O +ATOM 1451 CB ILE A 246 41.008 29.810 22.946 1.00 55.78 C +ATOM 1452 CG1 ILE A 246 41.841 28.576 23.357 1.00 56.71 C +ATOM 1453 CG2 ILE A 246 41.925 30.774 22.220 1.00 55.07 C +ATOM 1454 CD1 ILE A 246 42.805 28.851 24.479 1.00 59.21 C +ATOM 1455 N TRP A 247 38.457 31.557 23.136 1.00 56.43 N +ATOM 1456 CA TRP A 247 37.657 32.680 22.680 1.00 52.75 C +ATOM 1457 C TRP A 247 37.408 33.612 23.858 1.00 55.18 C +ATOM 1458 O TRP A 247 37.656 34.836 23.756 1.00 57.03 O +ATOM 1459 CB TRP A 247 36.359 32.229 22.000 1.00 51.67 C +ATOM 1460 CG TRP A 247 35.428 33.395 21.772 1.00 53.53 C +ATOM 1461 CD1 TRP A 247 34.634 34.022 22.717 1.00 55.52 C +ATOM 1462 CD2 TRP A 247 35.248 34.122 20.573 1.00 56.89 C +ATOM 1463 NE1 TRP A 247 33.967 35.071 22.166 1.00 55.61 N +ATOM 1464 CE2 TRP A 247 34.321 35.168 20.849 1.00 61.05 C +ATOM 1465 CE3 TRP A 247 35.769 34.001 19.279 1.00 61.39 C +ATOM 1466 CZ2 TRP A 247 33.900 36.090 19.872 1.00 64.16 C +ATOM 1467 CZ3 TRP A 247 35.346 34.935 18.281 1.00 67.15 C +ATOM 1468 CH2 TRP A 247 34.420 35.965 18.595 1.00 62.79 C +ATOM 1469 N SER A 248 36.974 33.057 24.998 1.00 55.73 N +ATOM 1470 CA SER A 248 36.574 33.933 26.147 1.00 53.54 C +ATOM 1471 C SER A 248 37.772 34.699 26.655 1.00 53.31 C +ATOM 1472 O SER A 248 37.668 35.863 26.989 1.00 56.19 O +ATOM 1473 CB SER A 248 35.934 33.143 27.307 1.00 51.12 C +ATOM 1474 OG SER A 248 34.864 32.280 26.881 1.00 53.39 O +ATOM 1475 N MET A 249 38.919 34.035 26.724 1.00 52.97 N +ATOM 1476 CA MET A 249 40.127 34.694 27.194 1.00 56.01 C +ATOM 1477 C MET A 249 40.487 35.847 26.270 1.00 57.66 C +ATOM 1478 O MET A 249 40.909 36.911 26.719 1.00 60.82 O +ATOM 1479 CB MET A 249 41.287 33.726 27.202 1.00 54.82 C +ATOM 1480 CG MET A 249 42.580 34.429 27.481 1.00 58.38 C +ATOM 1481 SD MET A 249 44.028 33.327 27.513 1.00 63.25 S +ATOM 1482 CE MET A 249 44.174 32.962 25.803 1.00 50.28 C +ATOM 1483 N GLY A 250 40.310 35.622 24.971 1.00 56.64 N +ATOM 1484 CA GLY A 250 40.670 36.602 23.980 1.00 56.12 C +ATOM 1485 C GLY A 250 39.812 37.812 24.178 1.00 58.13 C +ATOM 1486 O GLY A 250 40.326 38.946 24.271 1.00 55.89 O +ATOM 1487 N LEU A 251 38.493 37.565 24.261 1.00 57.64 N +ATOM 1488 CA LEU A 251 37.566 38.660 24.446 1.00 56.16 C +ATOM 1489 C LEU A 251 37.840 39.444 25.730 1.00 57.04 C +ATOM 1490 O LEU A 251 37.757 40.686 25.731 1.00 58.33 O +ATOM 1491 CB LEU A 251 36.133 38.187 24.386 1.00 57.58 C +ATOM 1492 CG LEU A 251 35.118 39.333 24.223 1.00 59.59 C +ATOM 1493 CD1 LEU A 251 35.187 39.862 22.793 1.00 56.21 C +ATOM 1494 CD2 LEU A 251 33.734 38.849 24.529 1.00 59.43 C +ATOM 1495 N SER A 252 38.185 38.730 26.804 1.00 54.21 N +ATOM 1496 CA SER A 252 38.485 39.364 28.084 1.00 56.57 C +ATOM 1497 C SER A 252 39.684 40.289 28.007 1.00 59.08 C +ATOM 1498 O SER A 252 39.695 41.347 28.650 1.00 60.14 O +ATOM 1499 CB SER A 252 38.743 38.303 29.168 1.00 56.30 C +ATOM 1500 OG SER A 252 37.634 37.415 29.275 1.00 60.92 O +ATOM 1501 N LEU A 253 40.710 39.864 27.256 1.00 59.64 N +ATOM 1502 CA LEU A 253 41.902 40.664 27.103 1.00 62.75 C +ATOM 1503 C LEU A 253 41.573 41.952 26.364 1.00 64.34 C +ATOM 1504 O LEU A 253 42.064 43.030 26.714 1.00 65.15 O +ATOM 1505 CB LEU A 253 43.016 39.906 26.392 1.00 62.51 C +ATOM 1506 CG LEU A 253 43.695 38.784 27.177 1.00 64.80 C +ATOM 1507 CD1 LEU A 253 44.455 37.875 26.231 1.00 56.39 C +ATOM 1508 CD2 LEU A 253 44.586 39.272 28.327 1.00 59.91 C +ATOM 1509 N VAL A 254 40.738 41.846 25.345 1.00 63.39 N +ATOM 1510 CA VAL A 254 40.386 43.037 24.617 1.00 65.28 C +ATOM 1511 C VAL A 254 39.637 43.967 25.539 1.00 66.75 C +ATOM 1512 O VAL A 254 39.904 45.164 25.540 1.00 69.59 O +ATOM 1513 CB VAL A 254 39.541 42.768 23.367 1.00 67.61 C +ATOM 1514 CG1 VAL A 254 39.147 44.094 22.716 1.00 63.45 C +ATOM 1515 CG2 VAL A 254 40.285 41.864 22.389 1.00 61.36 C +ATOM 1516 N GLU A 255 38.711 43.434 26.325 1.00 63.44 N +ATOM 1517 CA GLU A 255 37.951 44.300 27.190 1.00 64.75 C +ATOM 1518 C GLU A 255 38.878 45.048 28.116 1.00 68.08 C +ATOM 1519 O GLU A 255 38.708 46.272 28.333 1.00 71.06 O +ATOM 1520 CB GLU A 255 36.964 43.522 28.013 1.00 63.77 C +ATOM 1521 CG GLU A 255 36.308 44.343 29.075 1.00 64.16 C +ATOM 1522 CD GLU A 255 35.205 43.591 29.776 1.00 67.64 C +ATOM 1523 OE1 GLU A 255 34.637 44.096 30.775 1.00 74.27 O +ATOM 1524 OE2 GLU A 255 34.899 42.477 29.348 1.00 69.44 O +ATOM 1525 N MET A 256 39.858 44.318 28.649 1.00 65.13 N +ATOM 1526 CA MET A 256 40.702 44.847 29.712 1.00 65.86 C +ATOM 1527 C MET A 256 41.736 45.815 29.146 1.00 69.68 C +ATOM 1528 O MET A 256 42.158 46.759 29.803 1.00 70.50 O +ATOM 1529 CB MET A 256 41.402 43.695 30.416 1.00 63.47 C +ATOM 1530 CG MET A 256 40.490 42.914 31.286 1.00 59.60 C +ATOM 1531 SD MET A 256 41.374 41.740 32.284 1.00 66.17 S +ATOM 1532 CE MET A 256 41.793 40.410 31.162 1.00 50.67 C +ATOM 1533 N ALA A 257 42.140 45.532 27.915 1.00 70.06 N +ATOM 1534 CA ALA A 257 43.042 46.350 27.176 1.00 71.79 C +ATOM 1535 C ALA A 257 42.421 47.681 26.885 1.00 76.68 C +ATOM 1536 O ALA A 257 43.141 48.681 26.772 1.00 81.32 O +ATOM 1537 CB ALA A 257 43.389 45.693 25.866 1.00 70.31 C +ATOM 1538 N VAL A 258 41.099 47.697 26.748 1.00 76.89 N +ATOM 1539 CA VAL A 258 40.434 48.805 26.063 1.00 79.49 C +ATOM 1540 C VAL A 258 39.550 49.647 26.987 1.00 79.64 C +ATOM 1541 O VAL A 258 39.322 50.825 26.735 1.00 79.35 O +ATOM 1542 CB VAL A 258 39.707 48.288 24.803 1.00 78.97 C +ATOM 1543 CG1 VAL A 258 38.782 49.306 24.249 1.00 85.57 C +ATOM 1544 CG2 VAL A 258 40.752 47.951 23.737 1.00 76.31 C +ATOM 1545 N GLY A 259 39.088 49.040 28.069 1.00 78.44 N +ATOM 1546 CA GLY A 259 38.368 49.779 29.077 1.00 79.81 C +ATOM 1547 C GLY A 259 36.874 49.560 29.077 1.00 80.74 C +ATOM 1548 O GLY A 259 36.165 50.113 29.926 1.00 82.70 O +ATOM 1549 N ARG A 260 36.393 48.761 28.132 1.00 79.77 N +ATOM 1550 CA ARG A 260 34.985 48.372 28.118 1.00 81.51 C +ATOM 1551 C ARG A 260 34.713 47.156 27.242 1.00 78.16 C +ATOM 1552 O ARG A 260 35.468 46.839 26.309 1.00 78.17 O +ATOM 1553 CB ARG A 260 34.090 49.536 27.654 1.00 86.29 C +ATOM 1554 CG ARG A 260 34.225 49.886 26.162 1.00 89.68 C +ATOM 1555 CD ARG A 260 32.825 50.124 25.594 1.00 92.25 C +ATOM 1556 NE ARG A 260 32.827 50.865 24.335 1.00 95.90 N +ATOM 1557 CZ ARG A 260 32.610 50.338 23.131 1.00 97.02 C +ATOM 1558 NH1 ARG A 260 32.377 49.035 22.974 1.00 92.62 N +ATOM 1559 NH2 ARG A 260 32.625 51.133 22.072 1.00 99.76 N +ATOM 1560 N TYR A 261 33.613 46.492 27.545 1.00 73.51 N +ATOM 1561 CA TYR A 261 33.202 45.347 26.782 1.00 70.79 C +ATOM 1562 C TYR A 261 33.201 45.715 25.298 1.00 71.53 C +ATOM 1563 O TYR A 261 32.508 46.640 24.886 1.00 75.13 O +ATOM 1564 CB TYR A 261 31.819 44.892 27.257 1.00 69.79 C +ATOM 1565 CG TYR A 261 31.299 43.656 26.560 1.00 68.95 C +ATOM 1566 CD1 TYR A 261 31.847 42.395 26.841 1.00 57.06 C +ATOM 1567 CD2 TYR A 261 30.257 43.738 25.624 1.00 64.19 C +ATOM 1568 CE1 TYR A 261 31.369 41.265 26.241 1.00 57.83 C +ATOM 1569 CE2 TYR A 261 29.797 42.600 24.994 1.00 66.18 C +ATOM 1570 CZ TYR A 261 30.374 41.371 25.325 1.00 61.02 C +ATOM 1571 OH TYR A 261 29.969 40.239 24.740 1.00 61.65 O +ATOM 1572 N PRO A 262 33.986 44.992 24.491 1.00 70.28 N +ATOM 1573 CA PRO A 262 34.350 45.342 23.137 1.00 70.81 C +ATOM 1574 C PRO A 262 33.340 45.044 22.047 1.00 72.43 C +ATOM 1575 O PRO A 262 33.687 45.096 20.871 1.00 80.04 O +ATOM 1576 CB PRO A 262 35.575 44.476 22.912 1.00 71.33 C +ATOM 1577 CG PRO A 262 35.289 43.282 23.676 1.00 66.97 C +ATOM 1578 CD PRO A 262 34.701 43.789 24.931 1.00 67.38 C +ATOM 1579 N ILE A 263 32.111 44.723 22.398 1.00 73.39 N +ATOM 1580 CA ILE A 263 31.068 44.464 21.400 1.00 74.07 C +ATOM 1581 C ILE A 263 29.876 45.344 21.691 1.00 75.85 C +ATOM 1582 O ILE A 263 29.353 45.301 22.772 1.00 75.97 O +ATOM 1583 CB ILE A 263 30.623 42.994 21.443 1.00 72.76 C +ATOM 1584 CG1 ILE A 263 31.764 42.085 21.049 1.00 67.75 C +ATOM 1585 CG2 ILE A 263 29.550 42.742 20.440 1.00 79.28 C +ATOM 1586 CD1 ILE A 263 31.375 40.666 21.085 1.00 66.39 C +ATOM 1587 N PRO A 264 29.468 46.211 20.764 1.00 82.18 N +ATOM 1588 CA PRO A 264 29.986 46.538 19.447 1.00 84.19 C +ATOM 1589 C PRO A 264 31.314 47.256 19.571 1.00 86.65 C +ATOM 1590 O PRO A 264 31.595 47.874 20.601 1.00 85.86 O +ATOM 1591 CB PRO A 264 28.934 47.494 18.886 1.00 84.68 C +ATOM 1592 CG PRO A 264 28.359 48.160 20.082 1.00 86.36 C +ATOM 1593 CD PRO A 264 28.493 47.226 21.238 1.00 84.26 C +ATOM 1594 N PRO A 265 32.125 47.181 18.517 1.00 91.97 N +ATOM 1595 CA PRO A 265 33.468 47.729 18.541 1.00 95.10 C +ATOM 1596 C PRO A 265 33.405 49.248 18.563 1.00 99.15 C +ATOM 1597 O PRO A 265 32.418 49.830 18.090 1.00 96.88 O +ATOM 1598 CB PRO A 265 34.076 47.238 17.215 1.00 97.38 C +ATOM 1599 CG PRO A 265 33.041 46.248 16.625 1.00 96.65 C +ATOM 1600 CD PRO A 265 31.749 46.751 17.160 1.00 93.64 C +ATOM 1601 N PRO A 266 34.420 49.874 19.179 1.00102.47 N +ATOM 1602 CA PRO A 266 34.482 51.323 19.289 1.00107.72 C +ATOM 1603 C PRO A 266 34.357 52.019 17.948 1.00113.35 C +ATOM 1604 O PRO A 266 35.004 51.651 16.961 1.00112.42 O +ATOM 1605 CB PRO A 266 35.845 51.587 19.932 1.00107.61 C +ATOM 1606 CG PRO A 266 36.305 50.250 20.508 1.00105.69 C +ATOM 1607 CD PRO A 266 35.263 49.210 20.192 1.00100.63 C +ATOM 1608 N ASP A 267 33.467 53.000 17.952 1.00119.88 N +ATOM 1609 CA ASP A 267 33.213 53.930 16.857 1.00127.38 C +ATOM 1610 C ASP A 267 34.506 54.610 16.346 1.00130.32 C +ATOM 1611 O ASP A 267 35.463 54.819 17.116 1.00129.70 O +ATOM 1612 CB ASP A 267 32.202 54.976 17.366 1.00129.78 C +ATOM 1613 CG ASP A 267 31.659 55.836 16.281 1.00137.20 C +ATOM 1614 OD1 ASP A 267 31.293 55.291 15.214 1.00139.09 O +ATOM 1615 OD2 ASP A 267 31.600 57.066 16.498 1.00146.73 O +ATOM 1616 N ALA A 268 34.528 54.933 15.049 1.00134.22 N +ATOM 1617 CA ALA A 268 35.677 55.605 14.407 1.00137.47 C +ATOM 1618 C ALA A 268 36.292 56.720 15.278 1.00138.63 C +ATOM 1619 O ALA A 268 37.482 56.657 15.628 1.00136.92 O +ATOM 1620 CB ALA A 268 35.293 56.134 13.000 1.00140.89 C +ATOM 1621 N LYS A 269 35.472 57.709 15.649 1.00140.88 N +ATOM 1622 CA LYS A 269 35.924 58.811 16.514 1.00142.73 C +ATOM 1623 C LYS A 269 35.917 58.514 18.039 1.00138.87 C +ATOM 1624 O LYS A 269 36.573 59.207 18.824 1.00138.51 O +ATOM 1625 CB LYS A 269 35.229 60.149 16.144 1.00148.19 C +ATOM 1626 CG LYS A 269 36.011 60.977 15.076 1.00152.70 C +ATOM 1627 CD LYS A 269 36.033 62.507 15.371 1.00158.80 C +ATOM 1628 CE LYS A 269 35.348 63.368 14.284 1.00165.51 C +ATOM 1629 NZ LYS A 269 33.928 62.962 13.962 1.00166.29 N +ATOM 1630 N GLU A 270 35.217 57.451 18.439 1.00135.83 N +ATOM 1631 CA GLU A 270 35.203 56.979 19.837 1.00132.38 C +ATOM 1632 C GLU A 270 36.560 56.375 20.242 1.00129.64 C +ATOM 1633 O GLU A 270 36.881 56.264 21.431 1.00126.58 O +ATOM 1634 CB GLU A 270 34.076 55.967 20.030 1.00128.89 C +ATOM 1635 CG GLU A 270 33.628 55.727 21.464 1.00127.11 C +ATOM 1636 CD GLU A 270 32.761 54.476 21.584 1.00124.39 C +ATOM 1637 OE1 GLU A 270 31.681 54.425 20.945 1.00123.35 O +ATOM 1638 OE2 GLU A 270 33.168 53.542 22.312 1.00116.61 O +ATOM 1639 N LEU A 271 37.352 56.022 19.231 1.00130.57 N +ATOM 1640 CA LEU A 271 38.692 55.458 19.392 1.00129.98 C +ATOM 1641 C LEU A 271 39.745 56.445 19.894 1.00133.39 C +ATOM 1642 O LEU A 271 40.439 56.181 20.882 1.00130.51 O +ATOM 1643 CB LEU A 271 39.149 54.872 18.059 1.00130.34 C +ATOM 1644 CG LEU A 271 38.750 53.430 17.775 1.00124.82 C +ATOM 1645 CD1 LEU A 271 38.698 53.160 16.273 1.00123.41 C +ATOM 1646 CD2 LEU A 271 39.742 52.527 18.468 1.00119.14 C +ATOM 1647 N GLU A 272 39.889 57.571 19.197 1.00140.12 N +ATOM 1648 CA GLU A 272 40.806 58.615 19.661 1.00144.76 C +ATOM 1649 C GLU A 272 40.167 59.488 20.756 1.00146.00 C +ATOM 1650 O GLU A 272 40.824 60.359 21.328 1.00148.66 O +ATOM 1651 CB GLU A 272 41.416 59.409 18.495 1.00149.07 C +ATOM 1652 CG GLU A 272 42.541 58.626 17.775 1.00151.18 C +ATOM 1653 CD GLU A 272 43.534 59.508 16.996 1.00159.36 C +ATOM 1654 OE1 GLU A 272 44.578 58.972 16.557 1.00158.16 O +ATOM 1655 OE2 GLU A 272 43.288 60.725 16.818 1.00162.45 O +ATOM 1656 N LEU A 273 38.895 59.211 21.055 1.00144.63 N +ATOM 1657 CA LEU A 273 38.236 59.679 22.277 1.00145.12 C +ATOM 1658 C LEU A 273 38.806 58.964 23.520 1.00142.33 C +ATOM 1659 O LEU A 273 39.243 59.640 24.451 1.00144.00 O +ATOM 1660 CB LEU A 273 36.706 59.509 22.177 1.00144.60 C +ATOM 1661 CG LEU A 273 35.714 60.456 22.892 1.00148.43 C +ATOM 1662 CD1 LEU A 273 35.561 60.151 24.393 1.00146.54 C +ATOM 1663 CD2 LEU A 273 36.010 61.963 22.655 1.00150.71 C +ATOM 1664 N MET A 274 38.806 57.619 23.535 1.00138.61 N +ATOM 1665 CA MET A 274 39.490 56.832 24.600 1.00135.18 C +ATOM 1666 C MET A 274 41.000 57.115 24.594 1.00136.22 C +ATOM 1667 O MET A 274 41.603 57.356 25.647 1.00135.99 O +ATOM 1668 CB MET A 274 39.280 55.307 24.464 1.00130.41 C +ATOM 1669 CG MET A 274 37.923 54.815 23.941 1.00130.14 C +ATOM 1670 SD MET A 274 37.626 53.033 24.190 1.00121.92 S +ATOM 1671 CE MET A 274 37.153 53.050 25.940 1.00125.23 C +ATOM 1672 N PHE A 275 41.588 57.072 23.392 1.00137.07 N +ATOM 1673 CA PHE A 275 43.009 57.366 23.151 1.00138.55 C +ATOM 1674 C PHE A 275 43.163 58.707 22.410 1.00142.42 C +ATOM 1675 O PHE A 275 44.261 59.241 22.252 1.00143.25 O +ATOM 1676 CB PHE A 275 43.651 56.222 22.346 1.00135.92 C +ATOM 1677 CG PHE A 275 43.500 54.861 22.991 1.00130.55 C +ATOM 1678 CD1 PHE A 275 42.395 54.049 22.704 1.00128.27 C +ATOM 1679 CD2 PHE A 275 44.459 54.386 23.893 1.00130.05 C +ATOM 1680 CE1 PHE A 275 42.239 52.782 23.308 1.00117.80 C +ATOM 1681 CE2 PHE A 275 44.322 53.118 24.502 1.00123.27 C +ATOM 1682 CZ PHE A 275 43.202 52.318 24.206 1.00118.98 C +ATOM 1683 N PRO A 307 24.204 50.672 25.147 1.00109.16 N +ATOM 1684 CA PRO A 307 22.934 49.974 25.411 1.00108.86 C +ATOM 1685 C PRO A 307 22.477 49.043 24.247 1.00106.98 C +ATOM 1686 O PRO A 307 21.798 49.542 23.323 1.00108.04 O +ATOM 1687 CB PRO A 307 21.931 51.139 25.589 1.00113.64 C +ATOM 1688 CG PRO A 307 22.487 52.264 24.720 1.00115.78 C +ATOM 1689 CD PRO A 307 24.011 52.114 24.863 1.00114.91 C +ATOM 1690 N MET A 308 22.821 47.732 24.301 1.00100.09 N +ATOM 1691 CA MET A 308 22.441 46.731 23.239 1.00 95.25 C +ATOM 1692 C MET A 308 21.440 45.618 23.643 1.00 91.56 C +ATOM 1693 O MET A 308 21.430 45.192 24.795 1.00 91.81 O +ATOM 1694 CB MET A 308 23.679 46.054 22.685 1.00 91.41 C +ATOM 1695 CG MET A 308 23.672 45.964 21.181 1.00 92.52 C +ATOM 1696 SD MET A 308 25.232 45.192 20.682 1.00 98.33 S +ATOM 1697 CE MET A 308 25.253 45.474 18.909 1.00 85.61 C +ATOM 1698 N ALA A 309 20.631 45.119 22.702 1.00 86.52 N +ATOM 1699 CA ALA A 309 19.644 44.079 23.039 1.00 82.18 C +ATOM 1700 C ALA A 309 20.188 42.648 22.980 1.00 79.25 C +ATOM 1701 O ALA A 309 21.208 42.377 22.359 1.00 76.45 O +ATOM 1702 CB ALA A 309 18.442 44.197 22.191 1.00 82.04 C +ATOM 1703 N ILE A 310 19.465 41.722 23.605 1.00 79.50 N +ATOM 1704 CA ILE A 310 19.987 40.392 23.818 1.00 77.87 C +ATOM 1705 C ILE A 310 20.360 39.757 22.493 1.00 75.95 C +ATOM 1706 O ILE A 310 21.557 39.450 22.245 1.00 73.50 O +ATOM 1707 CB ILE A 310 19.040 39.482 24.656 1.00 79.12 C +ATOM 1708 CG1 ILE A 310 18.531 40.244 25.905 1.00 87.95 C +ATOM 1709 CG2 ILE A 310 19.822 38.240 25.130 1.00 79.82 C +ATOM 1710 CD1 ILE A 310 17.611 39.470 26.926 1.00 87.20 C +ATOM 1711 N PHE A 311 19.356 39.595 21.637 1.00 73.78 N +ATOM 1712 CA PHE A 311 19.593 39.009 20.338 1.00 74.35 C +ATOM 1713 C PHE A 311 20.599 39.788 19.485 1.00 74.49 C +ATOM 1714 O PHE A 311 21.491 39.192 18.901 1.00 73.50 O +ATOM 1715 CB PHE A 311 18.304 38.769 19.595 1.00 75.39 C +ATOM 1716 CG PHE A 311 18.479 38.104 18.251 1.00 75.24 C +ATOM 1717 CD1 PHE A 311 18.771 36.739 18.156 1.00 73.04 C +ATOM 1718 CD2 PHE A 311 18.310 38.845 17.071 1.00 76.02 C +ATOM 1719 CE1 PHE A 311 18.892 36.127 16.898 1.00 71.00 C +ATOM 1720 CE2 PHE A 311 18.442 38.259 15.812 1.00 72.13 C +ATOM 1721 CZ PHE A 311 18.736 36.898 15.724 1.00 73.48 C +ATOM 1722 N GLU A 312 20.468 41.102 19.443 1.00 75.00 N +ATOM 1723 CA GLU A 312 21.418 41.944 18.754 1.00 76.76 C +ATOM 1724 C GLU A 312 22.865 41.635 19.136 1.00 75.53 C +ATOM 1725 O GLU A 312 23.744 41.511 18.282 1.00 75.93 O +ATOM 1726 CB GLU A 312 21.107 43.362 19.150 1.00 79.33 C +ATOM 1727 CG GLU A 312 21.787 44.414 18.324 1.00 87.70 C +ATOM 1728 CD GLU A 312 21.237 45.833 18.602 1.00101.26 C +ATOM 1729 OE1 GLU A 312 21.485 46.707 17.742 1.00102.70 O +ATOM 1730 OE2 GLU A 312 20.562 46.074 19.652 1.00 99.62 O +ATOM 1731 N LEU A 313 23.115 41.514 20.430 1.00 73.45 N +ATOM 1732 CA LEU A 313 24.446 41.286 20.889 1.00 71.03 C +ATOM 1733 C LEU A 313 24.943 39.891 20.464 1.00 69.68 C +ATOM 1734 O LEU A 313 26.083 39.738 20.009 1.00 68.88 O +ATOM 1735 CB LEU A 313 24.502 41.459 22.410 1.00 70.15 C +ATOM 1736 CG LEU A 313 25.821 40.990 23.047 1.00 66.39 C +ATOM 1737 CD1 LEU A 313 26.972 41.822 22.563 1.00 69.72 C +ATOM 1738 CD2 LEU A 313 25.768 41.072 24.515 1.00 60.70 C +ATOM 1739 N LEU A 314 24.096 38.879 20.621 1.00 66.86 N +ATOM 1740 CA LEU A 314 24.510 37.526 20.335 1.00 62.96 C +ATOM 1741 C LEU A 314 24.683 37.375 18.854 1.00 65.93 C +ATOM 1742 O LEU A 314 25.599 36.719 18.420 1.00 67.61 O +ATOM 1743 CB LEU A 314 23.501 36.500 20.850 1.00 62.36 C +ATOM 1744 CG LEU A 314 23.310 36.523 22.377 1.00 63.05 C +ATOM 1745 CD1 LEU A 314 22.681 35.251 22.904 1.00 65.53 C +ATOM 1746 CD2 LEU A 314 24.580 36.784 23.119 1.00 48.10 C +ATOM 1747 N ASP A 315 23.816 38.005 18.078 1.00 68.83 N +ATOM 1748 CA ASP A 315 23.891 37.974 16.630 1.00 72.71 C +ATOM 1749 C ASP A 315 25.121 38.650 16.128 1.00 72.84 C +ATOM 1750 O ASP A 315 25.667 38.276 15.093 1.00 74.36 O +ATOM 1751 CB ASP A 315 22.703 38.669 16.010 1.00 77.75 C +ATOM 1752 CG ASP A 315 22.569 38.378 14.536 1.00 88.20 C +ATOM 1753 OD1 ASP A 315 22.011 37.308 14.191 1.00 91.69 O +ATOM 1754 OD2 ASP A 315 23.002 39.232 13.722 1.00 98.66 O +ATOM 1755 N TYR A 316 25.559 39.656 16.865 1.00 72.84 N +ATOM 1756 CA TYR A 316 26.843 40.232 16.596 1.00 73.26 C +ATOM 1757 C TYR A 316 27.983 39.206 16.783 1.00 72.00 C +ATOM 1758 O TYR A 316 28.779 39.017 15.880 1.00 75.27 O +ATOM 1759 CB TYR A 316 27.085 41.479 17.451 1.00 73.44 C +ATOM 1760 CG TYR A 316 28.055 42.397 16.767 1.00 79.02 C +ATOM 1761 CD1 TYR A 316 27.582 43.478 16.012 1.00 88.64 C +ATOM 1762 CD2 TYR A 316 29.439 42.149 16.798 1.00 77.81 C +ATOM 1763 CE1 TYR A 316 28.452 44.325 15.329 1.00 98.52 C +ATOM 1764 CE2 TYR A 316 30.344 42.995 16.111 1.00 87.75 C +ATOM 1765 CZ TYR A 316 29.838 44.080 15.376 1.00101.43 C +ATOM 1766 OH TYR A 316 30.680 44.938 14.673 1.00111.16 O +ATOM 1767 N ILE A 317 28.061 38.550 17.936 1.00 67.24 N +ATOM 1768 CA ILE A 317 29.131 37.615 18.188 1.00 64.05 C +ATOM 1769 C ILE A 317 29.170 36.505 17.121 1.00 67.33 C +ATOM 1770 O ILE A 317 30.253 36.047 16.704 1.00 69.38 O +ATOM 1771 CB ILE A 317 28.967 37.020 19.607 1.00 64.23 C +ATOM 1772 CG1 ILE A 317 29.294 38.087 20.649 1.00 59.75 C +ATOM 1773 CG2 ILE A 317 29.783 35.725 19.814 1.00 53.96 C +ATOM 1774 CD1 ILE A 317 28.741 37.800 21.992 1.00 56.18 C +ATOM 1775 N VAL A 318 28.008 36.070 16.657 1.00 68.07 N +ATOM 1776 CA VAL A 318 27.960 34.896 15.800 1.00 67.79 C +ATOM 1777 C VAL A 318 28.222 35.271 14.351 1.00 72.08 C +ATOM 1778 O VAL A 318 29.010 34.620 13.679 1.00 73.15 O +ATOM 1779 CB VAL A 318 26.617 34.129 15.944 1.00 68.92 C +ATOM 1780 CG1 VAL A 318 26.386 33.090 14.791 1.00 63.61 C +ATOM 1781 CG2 VAL A 318 26.555 33.477 17.287 1.00 62.64 C +ATOM 1782 N ASN A 319 27.584 36.326 13.882 1.00 73.69 N +ATOM 1783 CA ASN A 319 27.612 36.607 12.467 1.00 78.21 C +ATOM 1784 C ASN A 319 28.508 37.748 12.050 1.00 80.36 C +ATOM 1785 O ASN A 319 28.662 37.987 10.874 1.00 85.20 O +ATOM 1786 CB ASN A 319 26.206 36.860 11.948 1.00 78.59 C +ATOM 1787 CG ASN A 319 25.354 35.649 12.035 1.00 82.48 C +ATOM 1788 OD1 ASN A 319 25.791 34.548 11.736 1.00 82.64 O +ATOM 1789 ND2 ASN A 319 24.125 35.829 12.473 1.00 88.40 N +ATOM 1790 N GLU A 320 29.093 38.469 12.986 1.00 79.17 N +ATOM 1791 CA GLU A 320 29.890 39.615 12.577 1.00 82.22 C +ATOM 1792 C GLU A 320 31.391 39.416 12.808 1.00 81.97 C +ATOM 1793 O GLU A 320 31.815 38.572 13.619 1.00 77.44 O +ATOM 1794 CB GLU A 320 29.401 40.896 13.254 1.00 83.42 C +ATOM 1795 CG GLU A 320 27.998 41.400 12.815 1.00 90.40 C +ATOM 1796 CD GLU A 320 27.958 42.051 11.428 1.00 97.28 C +ATOM 1797 OE1 GLU A 320 28.908 42.783 11.039 1.00 97.36 O +ATOM 1798 OE2 GLU A 320 26.947 41.840 10.737 1.00 98.06 O +ATOM 1799 N PRO A 321 32.211 40.186 12.088 1.00 85.28 N +ATOM 1800 CA PRO A 321 33.630 39.932 12.280 1.00 85.15 C +ATOM 1801 C PRO A 321 34.004 40.165 13.735 1.00 81.25 C +ATOM 1802 O PRO A 321 33.453 41.070 14.370 1.00 83.51 O +ATOM 1803 CB PRO A 321 34.315 40.944 11.340 1.00 87.82 C +ATOM 1804 CG PRO A 321 33.222 41.889 10.862 1.00 91.29 C +ATOM 1805 CD PRO A 321 31.959 41.077 10.938 1.00 91.09 C +ATOM 1806 N PRO A 322 34.914 39.337 14.267 1.00 77.17 N +ATOM 1807 CA PRO A 322 35.324 39.432 15.666 1.00 74.35 C +ATOM 1808 C PRO A 322 36.017 40.751 15.991 1.00 74.76 C +ATOM 1809 O PRO A 322 36.574 41.371 15.116 1.00 75.92 O +ATOM 1810 CB PRO A 322 36.310 38.269 15.822 1.00 72.55 C +ATOM 1811 CG PRO A 322 36.838 38.024 14.460 1.00 74.47 C +ATOM 1812 CD PRO A 322 35.656 38.284 13.547 1.00 76.99 C +ATOM 1813 N PRO A 323 35.996 41.167 17.256 1.00 74.56 N +ATOM 1814 CA PRO A 323 36.703 42.385 17.679 1.00 77.32 C +ATOM 1815 C PRO A 323 38.232 42.275 17.543 1.00 78.90 C +ATOM 1816 O PRO A 323 38.769 41.198 17.628 1.00 77.31 O +ATOM 1817 CB PRO A 323 36.316 42.533 19.145 1.00 75.98 C +ATOM 1818 CG PRO A 323 35.865 41.177 19.559 1.00 74.42 C +ATOM 1819 CD PRO A 323 35.335 40.471 18.372 1.00 71.27 C +ATOM 1820 N LYS A 324 38.883 43.405 17.286 1.00 84.28 N +ATOM 1821 CA LYS A 324 40.309 43.539 16.987 1.00 85.66 C +ATOM 1822 C LYS A 324 40.738 44.485 18.065 1.00 86.51 C +ATOM 1823 O LYS A 324 39.931 45.293 18.504 1.00 87.59 O +ATOM 1824 CB LYS A 324 40.533 44.348 15.681 1.00 88.87 C +ATOM 1825 CG LYS A 324 40.101 43.747 14.344 1.00 92.41 C +ATOM 1826 CD LYS A 324 40.090 44.819 13.203 1.00102.89 C +ATOM 1827 CE LYS A 324 39.475 44.234 11.889 1.00107.68 C +ATOM 1828 NZ LYS A 324 39.898 44.904 10.623 1.00108.22 N +ATOM 1829 N LEU A 325 42.000 44.446 18.473 1.00 87.14 N +ATOM 1830 CA LEU A 325 42.586 45.640 19.096 1.00 89.50 C +ATOM 1831 C LEU A 325 42.743 46.765 18.058 1.00 94.47 C +ATOM 1832 O LEU A 325 42.965 46.508 16.869 1.00 96.69 O +ATOM 1833 CB LEU A 325 43.932 45.372 19.800 1.00 88.83 C +ATOM 1834 CG LEU A 325 44.013 44.470 21.047 1.00 80.37 C +ATOM 1835 CD1 LEU A 325 45.472 44.147 21.422 1.00 72.98 C +ATOM 1836 CD2 LEU A 325 43.251 44.991 22.253 1.00 66.99 C +ATOM 1837 N PRO A 326 42.582 48.016 18.503 1.00 97.14 N +ATOM 1838 CA PRO A 326 42.895 49.144 17.662 1.00101.40 C +ATOM 1839 C PRO A 326 44.352 49.104 17.255 1.00103.15 C +ATOM 1840 O PRO A 326 45.226 48.805 18.077 1.00101.21 O +ATOM 1841 CB PRO A 326 42.674 50.347 18.590 1.00103.20 C +ATOM 1842 CG PRO A 326 42.665 49.799 19.969 1.00100.28 C +ATOM 1843 CD PRO A 326 42.035 48.452 19.796 1.00 96.33 C +ATOM 1844 N SER A 327 44.583 49.399 15.982 1.00105.90 N +ATOM 1845 CA SER A 327 45.910 49.501 15.422 1.00107.92 C +ATOM 1846 C SER A 327 46.666 50.698 16.032 1.00109.09 C +ATOM 1847 O SER A 327 46.077 51.767 16.272 1.00109.88 O +ATOM 1848 CB SER A 327 45.773 49.637 13.901 1.00110.89 C +ATOM 1849 OG SER A 327 47.022 49.912 13.303 1.00117.94 O +ATOM 1850 N GLY A 328 47.961 50.511 16.298 1.00108.47 N +ATOM 1851 CA GLY A 328 48.847 51.631 16.675 1.00108.72 C +ATOM 1852 C GLY A 328 49.364 51.688 18.107 1.00106.27 C +ATOM 1853 O GLY A 328 50.581 51.753 18.334 1.00104.99 O +ATOM 1854 N VAL A 329 48.447 51.660 19.082 1.00103.23 N +ATOM 1855 CA VAL A 329 48.840 51.756 20.505 1.00100.74 C +ATOM 1856 C VAL A 329 49.064 50.413 21.237 1.00 94.06 C +ATOM 1857 O VAL A 329 49.308 50.375 22.453 1.00 92.41 O +ATOM 1858 CB VAL A 329 47.880 52.678 21.311 1.00102.91 C +ATOM 1859 CG1 VAL A 329 46.599 51.930 21.714 1.00 93.74 C +ATOM 1860 CG2 VAL A 329 48.624 53.317 22.553 1.00108.65 C +ATOM 1861 N PHE A 330 48.994 49.314 20.502 1.00 87.83 N +ATOM 1862 CA PHE A 330 49.427 48.051 21.054 1.00 84.64 C +ATOM 1863 C PHE A 330 50.421 47.410 20.108 1.00 86.52 C +ATOM 1864 O PHE A 330 50.316 47.563 18.884 1.00 86.66 O +ATOM 1865 CB PHE A 330 48.232 47.126 21.260 1.00 80.80 C +ATOM 1866 CG PHE A 330 47.247 47.630 22.291 1.00 79.68 C +ATOM 1867 CD1 PHE A 330 47.503 47.483 23.657 1.00 74.29 C +ATOM 1868 CD2 PHE A 330 46.064 48.251 21.902 1.00 78.22 C +ATOM 1869 CE1 PHE A 330 46.607 47.958 24.603 1.00 70.77 C +ATOM 1870 CE2 PHE A 330 45.149 48.746 22.863 1.00 71.60 C +ATOM 1871 CZ PHE A 330 45.417 48.602 24.194 1.00 72.83 C +ATOM 1872 N SER A 331 51.377 46.681 20.677 1.00 84.32 N +ATOM 1873 CA SER A 331 52.348 45.959 19.900 1.00 84.94 C +ATOM 1874 C SER A 331 51.666 45.063 18.878 1.00 85.81 C +ATOM 1875 O SER A 331 50.568 44.572 19.125 1.00 86.60 O +ATOM 1876 CB SER A 331 53.185 45.121 20.826 1.00 82.42 C +ATOM 1877 OG SER A 331 52.523 43.907 21.118 1.00 81.84 O +ATOM 1878 N LEU A 332 52.311 44.865 17.729 1.00 91.52 N +ATOM 1879 CA LEU A 332 51.822 43.975 16.681 1.00 92.19 C +ATOM 1880 C LEU A 332 51.600 42.549 17.219 1.00 91.93 C +ATOM 1881 O LEU A 332 50.684 41.833 16.771 1.00 92.04 O +ATOM 1882 CB LEU A 332 52.806 43.950 15.518 1.00 94.08 C +ATOM 1883 CG LEU A 332 52.924 45.195 14.617 1.00103.73 C +ATOM 1884 CD1 LEU A 332 54.247 45.188 13.763 1.00 99.00 C +ATOM 1885 CD2 LEU A 332 51.663 45.357 13.711 1.00100.85 C +ATOM 1886 N GLU A 333 52.427 42.152 18.192 1.00 91.47 N +ATOM 1887 CA GLU A 333 52.399 40.796 18.744 1.00 90.24 C +ATOM 1888 C GLU A 333 51.141 40.531 19.590 1.00 85.86 C +ATOM 1889 O GLU A 333 50.559 39.434 19.566 1.00 85.41 O +ATOM 1890 CB GLU A 333 53.681 40.500 19.532 1.00 91.07 C +ATOM 1891 CG GLU A 333 54.940 40.362 18.627 1.00101.42 C +ATOM 1892 CD GLU A 333 55.839 41.619 18.590 1.00110.32 C +ATOM 1893 OE1 GLU A 333 57.050 41.442 18.353 1.00118.43 O +ATOM 1894 OE2 GLU A 333 55.363 42.769 18.789 1.00109.21 O +ATOM 1895 N PHE A 334 50.723 41.552 20.319 1.00 83.23 N +ATOM 1896 CA PHE A 334 49.512 41.491 21.099 1.00 78.44 C +ATOM 1897 C PHE A 334 48.316 41.409 20.165 1.00 76.81 C +ATOM 1898 O PHE A 334 47.459 40.558 20.339 1.00 72.56 O +ATOM 1899 CB PHE A 334 49.429 42.718 21.995 1.00 78.23 C +ATOM 1900 CG PHE A 334 48.398 42.620 23.073 1.00 74.43 C +ATOM 1901 CD1 PHE A 334 47.920 41.389 23.503 1.00 72.62 C +ATOM 1902 CD2 PHE A 334 47.927 43.779 23.694 1.00 76.35 C +ATOM 1903 CE1 PHE A 334 46.953 41.319 24.534 1.00 69.74 C +ATOM 1904 CE2 PHE A 334 46.962 43.711 24.711 1.00 72.53 C +ATOM 1905 CZ PHE A 334 46.478 42.484 25.131 1.00 62.82 C +ATOM 1906 N GLN A 335 48.293 42.275 19.156 1.00 78.07 N +ATOM 1907 CA GLN A 335 47.196 42.331 18.220 1.00 78.12 C +ATOM 1908 C GLN A 335 46.999 40.980 17.568 1.00 78.93 C +ATOM 1909 O GLN A 335 45.869 40.535 17.325 1.00 80.06 O +ATOM 1910 CB GLN A 335 47.479 43.383 17.164 1.00 81.20 C +ATOM 1911 CG GLN A 335 47.609 44.767 17.757 1.00 83.81 C +ATOM 1912 CD GLN A 335 47.866 45.811 16.705 1.00 89.79 C +ATOM 1913 OE1 GLN A 335 47.368 45.700 15.590 1.00 87.31 O +ATOM 1914 NE2 GLN A 335 48.654 46.833 17.050 1.00 88.58 N +ATOM 1915 N ASP A 336 48.109 40.314 17.298 1.00 79.17 N +ATOM 1916 CA ASP A 336 48.042 39.084 16.571 1.00 79.00 C +ATOM 1917 C ASP A 336 47.634 37.976 17.550 1.00 74.10 C +ATOM 1918 O ASP A 336 46.951 37.018 17.191 1.00 72.33 O +ATOM 1919 CB ASP A 336 49.384 38.801 15.866 1.00 81.64 C +ATOM 1920 CG ASP A 336 49.406 37.439 15.207 1.00 84.30 C +ATOM 1921 OD1 ASP A 336 48.809 37.303 14.125 1.00 88.47 O +ATOM 1922 OD2 ASP A 336 49.973 36.494 15.797 1.00 85.70 O +ATOM 1923 N PHE A 337 48.065 38.106 18.789 1.00 71.14 N +ATOM 1924 CA PHE A 337 47.738 37.097 19.788 1.00 69.30 C +ATOM 1925 C PHE A 337 46.202 37.064 20.005 1.00 68.19 C +ATOM 1926 O PHE A 337 45.571 36.024 19.870 1.00 68.78 O +ATOM 1927 CB PHE A 337 48.520 37.418 21.057 1.00 69.09 C +ATOM 1928 CG PHE A 337 48.222 36.533 22.233 1.00 67.27 C +ATOM 1929 CD1 PHE A 337 48.960 35.381 22.452 1.00 68.52 C +ATOM 1930 CD2 PHE A 337 47.259 36.902 23.169 1.00 63.34 C +ATOM 1931 CE1 PHE A 337 48.722 34.569 23.567 1.00 69.59 C +ATOM 1932 CE2 PHE A 337 47.005 36.100 24.303 1.00 66.09 C +ATOM 1933 CZ PHE A 337 47.739 34.935 24.508 1.00 66.31 C +ATOM 1934 N VAL A 338 45.584 38.205 20.264 1.00 64.64 N +ATOM 1935 CA VAL A 338 44.161 38.195 20.380 1.00 63.29 C +ATOM 1936 C VAL A 338 43.473 37.821 19.045 1.00 67.09 C +ATOM 1937 O VAL A 338 42.428 37.137 19.075 1.00 63.31 O +ATOM 1938 CB VAL A 338 43.582 39.515 20.954 1.00 62.28 C +ATOM 1939 CG1 VAL A 338 44.441 40.054 22.059 1.00 56.49 C +ATOM 1940 CG2 VAL A 338 43.426 40.514 19.893 1.00 66.19 C +ATOM 1941 N ASN A 339 44.041 38.246 17.899 1.00 66.86 N +ATOM 1942 CA ASN A 339 43.508 37.796 16.638 1.00 67.40 C +ATOM 1943 C ASN A 339 43.479 36.287 16.609 1.00 68.84 C +ATOM 1944 O ASN A 339 42.476 35.681 16.216 1.00 71.83 O +ATOM 1945 CB ASN A 339 44.284 38.348 15.451 1.00 72.36 C +ATOM 1946 CG ASN A 339 44.007 39.824 15.204 1.00 72.55 C +ATOM 1947 OD1 ASN A 339 43.160 40.438 15.859 1.00 72.92 O +ATOM 1948 ND2 ASN A 339 44.738 40.403 14.281 1.00 73.31 N +ATOM 1949 N LYS A 340 44.543 35.663 17.084 1.00 68.57 N +ATOM 1950 CA LYS A 340 44.607 34.220 17.031 1.00 70.33 C +ATOM 1951 C LYS A 340 43.554 33.601 17.962 1.00 67.81 C +ATOM 1952 O LYS A 340 43.077 32.490 17.724 1.00 70.27 O +ATOM 1953 CB LYS A 340 46.024 33.710 17.380 1.00 72.77 C +ATOM 1954 CG LYS A 340 47.100 33.905 16.297 1.00 71.16 C +ATOM 1955 CD LYS A 340 46.775 33.133 15.046 1.00 83.34 C +ATOM 1956 CE LYS A 340 47.559 33.649 13.820 1.00 89.89 C +ATOM 1957 NZ LYS A 340 49.012 33.501 14.084 1.00 88.11 N +ATOM 1958 N CYS A 341 43.207 34.312 19.023 1.00 64.18 N +ATOM 1959 CA CYS A 341 42.225 33.821 19.991 1.00 63.36 C +ATOM 1960 C CYS A 341 40.782 33.992 19.515 1.00 63.63 C +ATOM 1961 O CYS A 341 39.882 33.246 19.931 1.00 61.21 O +ATOM 1962 CB CYS A 341 42.345 34.565 21.324 1.00 59.87 C +ATOM 1963 SG CYS A 341 43.798 34.183 22.264 1.00 64.61 S +ATOM 1964 N LEU A 342 40.566 35.005 18.686 1.00 64.81 N +ATOM 1965 CA LEU A 342 39.227 35.406 18.354 1.00 64.40 C +ATOM 1966 C LEU A 342 38.799 34.947 16.983 1.00 67.47 C +ATOM 1967 O LEU A 342 37.902 35.551 16.389 1.00 71.37 O +ATOM 1968 CB LEU A 342 39.045 36.920 18.525 1.00 61.29 C +ATOM 1969 CG LEU A 342 39.140 37.422 19.968 1.00 61.04 C +ATOM 1970 CD1 LEU A 342 38.937 38.921 20.011 1.00 59.01 C +ATOM 1971 CD2 LEU A 342 38.136 36.725 20.883 1.00 55.81 C +ATOM 1972 N ILE A 343 39.412 33.876 16.486 1.00 66.54 N +ATOM 1973 CA ILE A 343 39.025 33.310 15.196 1.00 64.85 C +ATOM 1974 C ILE A 343 37.689 32.565 15.391 1.00 64.64 C +ATOM 1975 O ILE A 343 37.541 31.788 16.332 1.00 63.78 O +ATOM 1976 CB ILE A 343 40.170 32.400 14.675 1.00 66.35 C +ATOM 1977 CG1 ILE A 343 41.314 33.255 14.131 1.00 67.53 C +ATOM 1978 CG2 ILE A 343 39.693 31.415 13.612 1.00 67.56 C +ATOM 1979 CD1 ILE A 343 42.685 32.556 14.113 1.00 69.04 C +ATOM 1980 N LYS A 344 36.701 32.814 14.538 1.00 66.88 N +ATOM 1981 CA LYS A 344 35.381 32.218 14.760 1.00 66.92 C +ATOM 1982 C LYS A 344 35.378 30.691 14.677 1.00 66.57 C +ATOM 1983 O LYS A 344 34.666 30.016 15.427 1.00 65.36 O +ATOM 1984 CB LYS A 344 34.335 32.782 13.816 1.00 68.72 C +ATOM 1985 CG LYS A 344 33.738 34.157 14.225 1.00 74.53 C +ATOM 1986 CD LYS A 344 32.422 34.451 13.418 1.00 70.14 C +ATOM 1987 CE LYS A 344 32.004 35.861 13.649 1.00 73.48 C +ATOM 1988 NZ LYS A 344 30.974 36.227 12.641 1.00 84.61 N +ATOM 1989 N ASN A 345 36.152 30.139 13.756 1.00 67.32 N +ATOM 1990 CA ASN A 345 36.184 28.706 13.610 1.00 65.52 C +ATOM 1991 C ASN A 345 37.057 28.101 14.703 1.00 61.91 C +ATOM 1992 O ASN A 345 38.248 28.396 14.763 1.00 62.32 O +ATOM 1993 CB ASN A 345 36.759 28.358 12.264 1.00 66.78 C +ATOM 1994 CG ASN A 345 36.798 26.881 12.045 1.00 71.30 C +ATOM 1995 OD1 ASN A 345 37.373 26.133 12.842 1.00 74.01 O +ATOM 1996 ND2 ASN A 345 36.170 26.437 10.971 1.00 77.01 N +ATOM 1997 N PRO A 346 36.485 27.238 15.546 1.00 58.86 N +ATOM 1998 CA PRO A 346 37.216 26.731 16.727 1.00 58.88 C +ATOM 1999 C PRO A 346 38.460 25.846 16.391 1.00 59.89 C +ATOM 2000 O PRO A 346 39.398 25.785 17.189 1.00 57.06 O +ATOM 2001 CB PRO A 346 36.151 25.949 17.512 1.00 56.54 C +ATOM 2002 CG PRO A 346 34.895 26.134 16.763 1.00 57.42 C +ATOM 2003 CD PRO A 346 35.168 26.618 15.403 1.00 58.22 C +ATOM 2004 N ALA A 347 38.458 25.197 15.230 1.00 60.52 N +ATOM 2005 CA ALA A 347 39.587 24.372 14.798 1.00 64.98 C +ATOM 2006 C ALA A 347 40.762 25.228 14.229 1.00 67.43 C +ATOM 2007 O ALA A 347 41.919 24.937 14.472 1.00 69.02 O +ATOM 2008 CB ALA A 347 39.138 23.332 13.817 1.00 62.17 C +ATOM 2009 N GLU A 348 40.454 26.305 13.524 1.00 69.23 N +ATOM 2010 CA GLU A 348 41.462 27.258 13.071 1.00 72.16 C +ATOM 2011 C GLU A 348 41.992 28.120 14.237 1.00 69.08 C +ATOM 2012 O GLU A 348 43.158 28.501 14.272 1.00 70.94 O +ATOM 2013 CB GLU A 348 40.836 28.152 11.991 1.00 75.34 C +ATOM 2014 CG GLU A 348 41.754 28.621 10.843 1.00 90.56 C +ATOM 2015 CD GLU A 348 41.130 29.799 10.019 1.00110.01 C +ATOM 2016 OE1 GLU A 348 41.903 30.730 9.647 1.00116.31 O +ATOM 2017 OE2 GLU A 348 39.880 29.809 9.760 1.00101.75 O +ATOM 2018 N ARG A 349 41.129 28.452 15.181 1.00 65.94 N +ATOM 2019 CA ARG A 349 41.514 29.250 16.350 1.00 64.84 C +ATOM 2020 C ARG A 349 42.785 28.637 16.982 1.00 63.60 C +ATOM 2021 O ARG A 349 42.972 27.447 16.897 1.00 66.08 O +ATOM 2022 CB ARG A 349 40.324 29.248 17.333 1.00 62.26 C +ATOM 2023 CG ARG A 349 40.530 29.948 18.648 1.00 57.89 C +ATOM 2024 CD ARG A 349 39.254 30.632 18.979 1.00 54.39 C +ATOM 2025 NE ARG A 349 38.383 29.821 19.787 1.00 56.69 N +ATOM 2026 CZ ARG A 349 37.095 29.623 19.521 1.00 60.96 C +ATOM 2027 NH1 ARG A 349 36.517 30.186 18.457 1.00 49.88 N +ATOM 2028 NH2 ARG A 349 36.387 28.841 20.330 1.00 56.99 N +ATOM 2029 N ALA A 350 43.641 29.431 17.611 1.00 61.08 N +ATOM 2030 CA ALA A 350 44.815 28.876 18.294 1.00 60.46 C +ATOM 2031 C ALA A 350 44.456 28.056 19.523 1.00 58.76 C +ATOM 2032 O ALA A 350 43.481 28.319 20.138 1.00 57.55 O +ATOM 2033 CB ALA A 350 45.740 29.963 18.684 1.00 62.24 C +ATOM 2034 N ASP A 351 45.251 27.057 19.877 1.00 61.72 N +ATOM 2035 CA ASP A 351 45.011 26.330 21.104 1.00 60.75 C +ATOM 2036 C ASP A 351 46.057 26.671 22.149 1.00 61.96 C +ATOM 2037 O ASP A 351 47.010 27.417 21.874 1.00 61.86 O +ATOM 2038 CB ASP A 351 44.889 24.812 20.869 1.00 62.82 C +ATOM 2039 CG ASP A 351 46.226 24.117 20.648 1.00 69.33 C +ATOM 2040 OD1 ASP A 351 47.208 24.769 20.217 1.00 73.34 O +ATOM 2041 OD2 ASP A 351 46.296 22.898 20.926 1.00 69.75 O +ATOM 2042 N LEU A 352 45.871 26.112 23.346 1.00 61.64 N +ATOM 2043 CA LEU A 352 46.767 26.362 24.466 1.00 61.42 C +ATOM 2044 C LEU A 352 48.223 26.097 24.080 1.00 64.58 C +ATOM 2045 O LEU A 352 49.078 26.920 24.394 1.00 67.24 O +ATOM 2046 CB LEU A 352 46.352 25.572 25.725 1.00 57.35 C +ATOM 2047 CG LEU A 352 45.031 26.043 26.356 1.00 57.50 C +ATOM 2048 CD1 LEU A 352 44.548 25.088 27.435 1.00 52.59 C +ATOM 2049 CD2 LEU A 352 45.211 27.407 26.970 1.00 56.60 C +ATOM 2050 N LYS A 353 48.517 25.002 23.375 1.00 64.62 N +ATOM 2051 CA LYS A 353 49.907 24.743 23.117 1.00 67.81 C +ATOM 2052 C LYS A 353 50.561 25.714 22.128 1.00 70.40 C +ATOM 2053 O LYS A 353 51.793 25.869 22.148 1.00 74.38 O +ATOM 2054 CB LYS A 353 50.193 23.281 22.803 1.00 70.64 C +ATOM 2055 CG LYS A 353 49.973 22.861 21.390 1.00 80.21 C +ATOM 2056 CD LYS A 353 49.949 21.321 21.244 1.00 91.16 C +ATOM 2057 CE LYS A 353 51.339 20.743 20.950 1.00104.80 C +ATOM 2058 NZ LYS A 353 51.843 21.138 19.601 1.00 99.50 N +ATOM 2059 N GLN A 354 49.764 26.387 21.301 1.00 68.96 N +ATOM 2060 CA GLN A 354 50.329 27.317 20.328 1.00 69.25 C +ATOM 2061 C GLN A 354 50.484 28.676 20.920 1.00 71.95 C +ATOM 2062 O GLN A 354 51.415 29.394 20.590 1.00 78.73 O +ATOM 2063 CB GLN A 354 49.473 27.461 19.094 1.00 67.17 C +ATOM 2064 CG GLN A 354 49.345 26.231 18.227 1.00 68.20 C +ATOM 2065 CD GLN A 354 48.418 26.477 17.062 1.00 75.13 C +ATOM 2066 OE1 GLN A 354 48.556 25.889 15.994 1.00 83.90 O +ATOM 2067 NE2 GLN A 354 47.474 27.376 17.255 1.00 81.60 N +ATOM 2068 N LEU A 355 49.553 29.061 21.778 1.00 71.57 N +ATOM 2069 CA LEU A 355 49.638 30.349 22.445 1.00 70.26 C +ATOM 2070 C LEU A 355 50.802 30.403 23.451 1.00 70.95 C +ATOM 2071 O LEU A 355 51.414 31.462 23.689 1.00 69.69 O +ATOM 2072 CB LEU A 355 48.324 30.634 23.164 1.00 68.44 C +ATOM 2073 CG LEU A 355 47.034 30.776 22.366 1.00 67.53 C +ATOM 2074 CD1 LEU A 355 45.940 31.059 23.351 1.00 61.43 C +ATOM 2075 CD2 LEU A 355 47.131 31.917 21.382 1.00 68.99 C +ATOM 2076 N MET A 356 51.083 29.254 24.052 1.00 70.14 N +ATOM 2077 CA MET A 356 52.184 29.129 24.997 1.00 73.54 C +ATOM 2078 C MET A 356 53.535 29.514 24.327 1.00 78.50 C +ATOM 2079 O MET A 356 54.451 30.022 25.011 1.00 82.94 O +ATOM 2080 CB MET A 356 52.226 27.690 25.544 1.00 74.49 C +ATOM 2081 CG MET A 356 53.041 27.446 26.797 1.00 78.04 C +ATOM 2082 SD MET A 356 52.187 27.881 28.340 1.00 92.60 S +ATOM 2083 CE MET A 356 52.718 29.621 28.464 1.00 80.32 C +ATOM 2084 N VAL A 357 53.667 29.287 23.014 1.00 73.72 N +ATOM 2085 CA VAL A 357 54.915 29.609 22.366 1.00 74.74 C +ATOM 2086 C VAL A 357 54.749 30.818 21.433 1.00 76.77 C +ATOM 2087 O VAL A 357 55.558 31.041 20.547 1.00 77.46 O +ATOM 2088 CB VAL A 357 55.512 28.357 21.643 1.00 75.67 C +ATOM 2089 CG1 VAL A 357 55.526 27.181 22.582 1.00 68.52 C +ATOM 2090 CG2 VAL A 357 54.764 28.017 20.315 1.00 72.24 C +ATOM 2091 N HIS A 358 53.675 31.584 21.633 1.00 76.29 N +ATOM 2092 CA HIS A 358 53.411 32.800 20.830 1.00 76.28 C +ATOM 2093 C HIS A 358 54.364 33.953 21.192 1.00 76.94 C +ATOM 2094 O HIS A 358 54.726 34.133 22.369 1.00 76.48 O +ATOM 2095 CB HIS A 358 51.933 33.245 20.995 1.00 73.54 C +ATOM 2096 CG HIS A 358 51.473 34.255 19.977 1.00 71.91 C +ATOM 2097 ND1 HIS A 358 51.616 35.618 20.153 1.00 76.23 N +ATOM 2098 CD2 HIS A 358 50.897 34.097 18.756 1.00 75.43 C +ATOM 2099 CE1 HIS A 358 51.161 36.256 19.077 1.00 80.24 C +ATOM 2100 NE2 HIS A 358 50.725 35.354 18.211 1.00 77.29 N +ATOM 2101 N ALA A 359 54.742 34.734 20.179 1.00 77.54 N +ATOM 2102 CA ALA A 359 55.650 35.877 20.353 1.00 80.47 C +ATOM 2103 C ALA A 359 55.294 36.775 21.529 1.00 80.49 C +ATOM 2104 O ALA A 359 56.196 37.248 22.225 1.00 82.13 O +ATOM 2105 CB ALA A 359 55.737 36.709 19.072 1.00 82.92 C +ATOM 2106 N PHE A 360 53.988 36.996 21.750 1.00 78.09 N +ATOM 2107 CA PHE A 360 53.517 37.905 22.791 1.00 76.01 C +ATOM 2108 C PHE A 360 53.832 37.328 24.190 1.00 75.30 C +ATOM 2109 O PHE A 360 54.224 38.051 25.122 1.00 76.53 O +ATOM 2110 CB PHE A 360 52.032 38.276 22.555 1.00 73.90 C +ATOM 2111 CG PHE A 360 51.398 39.033 23.688 1.00 72.23 C +ATOM 2112 CD1 PHE A 360 50.457 38.416 24.522 1.00 69.35 C +ATOM 2113 CD2 PHE A 360 51.733 40.363 23.938 1.00 74.55 C +ATOM 2114 CE1 PHE A 360 49.862 39.128 25.609 1.00 66.82 C +ATOM 2115 CE2 PHE A 360 51.147 41.079 25.018 1.00 75.41 C +ATOM 2116 CZ PHE A 360 50.212 40.459 25.859 1.00 67.61 C +ATOM 2117 N ILE A 361 53.740 36.009 24.302 1.00 75.20 N +ATOM 2118 CA ILE A 361 54.050 35.301 25.550 1.00 75.15 C +ATOM 2119 C ILE A 361 55.566 35.186 25.799 1.00 80.12 C +ATOM 2120 O ILE A 361 56.060 35.527 26.890 1.00 80.49 O +ATOM 2121 CB ILE A 361 53.418 33.888 25.547 1.00 75.10 C +ATOM 2122 CG1 ILE A 361 51.885 33.969 25.356 1.00 71.89 C +ATOM 2123 CG2 ILE A 361 53.852 33.091 26.766 1.00 68.43 C +ATOM 2124 CD1 ILE A 361 51.146 35.039 26.181 1.00 70.13 C +ATOM 2125 N LYS A 362 56.292 34.679 24.795 1.00 81.14 N +ATOM 2126 CA LYS A 362 57.753 34.686 24.800 1.00 82.71 C +ATOM 2127 C LYS A 362 58.265 36.050 25.306 1.00 82.48 C +ATOM 2128 O LYS A 362 58.950 36.123 26.322 1.00 81.12 O +ATOM 2129 CB LYS A 362 58.265 34.396 23.388 1.00 86.50 C +ATOM 2130 CG LYS A 362 58.209 32.905 22.963 1.00 90.34 C +ATOM 2131 CD LYS A 362 58.138 32.709 21.408 1.00 98.03 C +ATOM 2132 CE LYS A 362 59.316 33.311 20.601 1.00110.08 C +ATOM 2133 NZ LYS A 362 58.917 33.759 19.218 1.00108.26 N +ATOM 2134 N ARG A 363 57.873 37.128 24.628 1.00 82.03 N +ATOM 2135 CA ARG A 363 58.135 38.495 25.104 1.00 83.56 C +ATOM 2136 C ARG A 363 57.654 38.790 26.566 1.00 83.41 C +ATOM 2137 O ARG A 363 58.485 39.141 27.392 1.00 84.88 O +ATOM 2138 CB ARG A 363 57.618 39.534 24.084 1.00 84.63 C +ATOM 2139 CG ARG A 363 58.188 40.948 24.217 1.00 86.90 C +ATOM 2140 CD ARG A 363 57.327 42.038 23.518 1.00 87.94 C +ATOM 2141 NE ARG A 363 56.193 42.402 24.378 1.00 92.65 N +ATOM 2142 CZ ARG A 363 55.001 42.835 23.956 1.00 90.80 C +ATOM 2143 NH1 ARG A 363 54.784 42.993 22.656 1.00 91.88 N +ATOM 2144 NH2 ARG A 363 54.023 43.112 24.838 1.00 81.03 N +ATOM 2145 N SER A 364 56.362 38.625 26.919 1.00 78.81 N +ATOM 2146 CA SER A 364 55.945 38.989 28.291 1.00 76.94 C +ATOM 2147 C SER A 364 56.619 38.114 29.335 1.00 76.22 C +ATOM 2148 O SER A 364 56.833 38.509 30.486 1.00 75.55 O +ATOM 2149 CB SER A 364 54.428 38.923 28.458 1.00 72.66 C +ATOM 2150 OG SER A 364 53.837 39.290 27.232 1.00 76.85 O +ATOM 2151 N ASP A 365 56.950 36.905 28.929 1.00 77.98 N +ATOM 2152 CA ASP A 365 57.581 35.952 29.841 1.00 83.06 C +ATOM 2153 C ASP A 365 59.000 36.477 30.288 1.00 87.51 C +ATOM 2154 O ASP A 365 59.410 36.311 31.448 1.00 86.79 O +ATOM 2155 CB ASP A 365 57.600 34.566 29.152 1.00 83.67 C +ATOM 2156 CG ASP A 365 57.337 33.399 30.110 1.00 86.59 C +ATOM 2157 OD1 ASP A 365 57.081 33.616 31.327 1.00 80.31 O +ATOM 2158 OD2 ASP A 365 57.427 32.246 29.617 1.00 92.11 O +ATOM 2159 N ALA A 366 59.703 37.159 29.374 1.00 89.02 N +ATOM 2160 CA ALA A 366 60.975 37.820 29.697 1.00 94.13 C +ATOM 2161 C ALA A 366 60.847 39.036 30.621 1.00 95.31 C +ATOM 2162 O ALA A 366 61.771 39.323 31.417 1.00 97.92 O +ATOM 2163 CB ALA A 366 61.752 38.202 28.412 1.00 96.06 C +ATOM 2164 N GLU A 367 59.721 39.746 30.524 1.00 92.07 N +ATOM 2165 CA GLU A 367 59.648 41.082 31.115 1.00 92.66 C +ATOM 2166 C GLU A 367 59.668 41.109 32.645 1.00 92.69 C +ATOM 2167 O GLU A 367 59.110 40.236 33.285 1.00 88.66 O +ATOM 2168 CB GLU A 367 58.514 41.880 30.504 1.00 88.04 C +ATOM 2169 CG GLU A 367 58.750 42.130 29.024 1.00 96.82 C +ATOM 2170 CD GLU A 367 57.566 42.780 28.302 1.00103.44 C +ATOM 2171 OE1 GLU A 367 57.422 42.596 27.068 1.00102.34 O +ATOM 2172 OE2 GLU A 367 56.789 43.495 28.960 1.00107.72 O +ATOM 2173 N GLU A 368 60.408 42.065 33.213 1.00 98.74 N +ATOM 2174 CA GLU A 368 60.439 42.243 34.664 1.00100.00 C +ATOM 2175 C GLU A 368 59.362 43.263 34.971 1.00 97.73 C +ATOM 2176 O GLU A 368 59.538 44.481 34.823 1.00100.68 O +ATOM 2177 CB GLU A 368 61.804 42.681 35.173 1.00102.87 C +ATOM 2178 CG GLU A 368 61.989 42.596 36.701 1.00109.05 C +ATOM 2179 CD GLU A 368 63.266 43.374 37.215 1.00126.53 C +ATOM 2180 OE1 GLU A 368 63.225 43.828 38.386 1.00132.91 O +ATOM 2181 OE2 GLU A 368 64.299 43.539 36.477 1.00118.82 O +ATOM 2182 N VAL A 369 58.222 42.728 35.361 1.00 92.06 N +ATOM 2183 CA VAL A 369 57.063 43.535 35.593 1.00 89.49 C +ATOM 2184 C VAL A 369 56.697 43.413 37.051 1.00 88.76 C +ATOM 2185 O VAL A 369 56.601 42.294 37.580 1.00 87.29 O +ATOM 2186 CB VAL A 369 55.923 43.033 34.716 1.00 86.14 C +ATOM 2187 CG1 VAL A 369 54.568 43.469 35.249 1.00 83.17 C +ATOM 2188 CG2 VAL A 369 56.121 43.504 33.296 1.00 87.13 C +ATOM 2189 N ASP A 370 56.509 44.560 37.701 1.00 90.25 N +ATOM 2190 CA ASP A 370 56.134 44.577 39.124 1.00 91.64 C +ATOM 2191 C ASP A 370 54.607 44.562 39.291 1.00 86.58 C +ATOM 2192 O ASP A 370 53.985 45.562 39.715 1.00 83.78 O +ATOM 2193 CB ASP A 370 56.776 45.766 39.865 1.00 94.69 C +ATOM 2194 CG ASP A 370 56.468 45.766 41.373 1.00101.04 C +ATOM 2195 OD1 ASP A 370 55.990 44.734 41.913 1.00 99.10 O +ATOM 2196 OD2 ASP A 370 56.711 46.815 42.023 1.00111.15 O +ATOM 2197 N PHE A 371 54.015 43.413 38.952 1.00 83.84 N +ATOM 2198 CA PHE A 371 52.567 43.260 39.047 1.00 81.46 C +ATOM 2199 C PHE A 371 52.044 43.624 40.457 1.00 81.02 C +ATOM 2200 O PHE A 371 51.123 44.453 40.607 1.00 76.61 O +ATOM 2201 CB PHE A 371 52.089 41.882 38.617 1.00 77.98 C +ATOM 2202 CG PHE A 371 50.609 41.759 38.672 1.00 77.00 C +ATOM 2203 CD1 PHE A 371 49.968 41.393 39.845 1.00 75.17 C +ATOM 2204 CD2 PHE A 371 49.832 42.060 37.570 1.00 81.58 C +ATOM 2205 CE1 PHE A 371 48.559 41.327 39.906 1.00 71.78 C +ATOM 2206 CE2 PHE A 371 48.436 41.973 37.639 1.00 72.50 C +ATOM 2207 CZ PHE A 371 47.818 41.606 38.816 1.00 66.98 C +ATOM 2208 N ALA A 372 52.676 43.042 41.477 1.00 80.13 N +ATOM 2209 CA ALA A 372 52.374 43.414 42.845 1.00 82.44 C +ATOM 2210 C ALA A 372 52.289 44.938 43.047 1.00 86.16 C +ATOM 2211 O ALA A 372 51.269 45.439 43.533 1.00 86.43 O +ATOM 2212 CB ALA A 372 53.389 42.811 43.773 1.00 84.68 C +ATOM 2213 N GLY A 373 53.350 45.661 42.652 1.00 89.00 N +ATOM 2214 CA GLY A 373 53.452 47.095 42.867 1.00 89.82 C +ATOM 2215 C GLY A 373 52.433 47.866 42.069 1.00 90.13 C +ATOM 2216 O GLY A 373 51.895 48.866 42.557 1.00 90.44 O +ATOM 2217 N TRP A 374 52.159 47.391 40.848 1.00 88.34 N +ATOM 2218 CA TRP A 374 51.152 48.019 39.982 1.00 88.86 C +ATOM 2219 C TRP A 374 49.716 47.935 40.543 1.00 88.09 C +ATOM 2220 O TRP A 374 48.904 48.877 40.417 1.00 88.61 O +ATOM 2221 CB TRP A 374 51.171 47.414 38.576 1.00 85.73 C +ATOM 2222 CG TRP A 374 50.070 47.983 37.762 1.00 84.55 C +ATOM 2223 CD1 TRP A 374 50.049 49.209 37.136 1.00 85.22 C +ATOM 2224 CD2 TRP A 374 48.790 47.396 37.538 1.00 81.64 C +ATOM 2225 NE1 TRP A 374 48.843 49.400 36.510 1.00 85.78 N +ATOM 2226 CE2 TRP A 374 48.048 48.301 36.742 1.00 85.56 C +ATOM 2227 CE3 TRP A 374 48.201 46.181 37.909 1.00 81.43 C +ATOM 2228 CZ2 TRP A 374 46.733 48.022 36.317 1.00 79.21 C +ATOM 2229 CZ3 TRP A 374 46.886 45.904 37.486 1.00 80.51 C +ATOM 2230 CH2 TRP A 374 46.175 46.825 36.697 1.00 76.52 C +ATOM 2231 N LEU A 375 49.419 46.792 41.145 1.00 85.60 N +ATOM 2232 CA LEU A 375 48.070 46.484 41.577 1.00 85.20 C +ATOM 2233 C LEU A 375 47.707 47.365 42.778 1.00 89.41 C +ATOM 2234 O LEU A 375 46.581 47.880 42.902 1.00 87.20 O +ATOM 2235 CB LEU A 375 47.953 44.984 41.878 1.00 79.78 C +ATOM 2236 CG LEU A 375 46.698 44.442 42.539 1.00 78.64 C +ATOM 2237 CD1 LEU A 375 45.524 44.591 41.620 1.00 71.54 C +ATOM 2238 CD2 LEU A 375 46.895 42.991 42.925 1.00 80.39 C +ATOM 2239 N CYS A 376 48.685 47.582 43.640 1.00 93.53 N +ATOM 2240 CA CYS A 376 48.450 48.449 44.769 1.00 98.81 C +ATOM 2241 C CYS A 376 48.457 49.913 44.338 1.00102.24 C +ATOM 2242 O CYS A 376 47.538 50.649 44.696 1.00104.79 O +ATOM 2243 CB CYS A 376 49.450 48.158 45.881 1.00102.24 C +ATOM 2244 SG CYS A 376 49.494 46.388 46.367 1.00100.46 S +ATOM 2245 N SER A 377 49.453 50.332 43.550 1.00104.37 N +ATOM 2246 CA SER A 377 49.464 51.698 42.989 1.00107.47 C +ATOM 2247 C SER A 377 48.125 52.078 42.352 1.00107.53 C +ATOM 2248 O SER A 377 47.742 53.245 42.381 1.00110.51 O +ATOM 2249 CB SER A 377 50.567 51.878 41.952 1.00106.56 C +ATOM 2250 OG SER A 377 51.816 51.892 42.594 1.00111.71 O +ATOM 2251 N THR A 378 47.416 51.099 41.789 1.00103.95 N +ATOM 2252 CA THR A 378 46.143 51.392 41.156 1.00103.88 C +ATOM 2253 C THR A 378 44.916 51.213 42.080 1.00103.49 C +ATOM 2254 O THR A 378 43.924 51.956 41.947 1.00104.20 O +ATOM 2255 CB THR A 378 45.972 50.637 39.815 1.00101.32 C +ATOM 2256 OG1 THR A 378 45.905 49.240 40.063 1.00102.91 O +ATOM 2257 CG2 THR A 378 47.143 50.903 38.895 1.00102.65 C +ATOM 2258 N ILE A 379 44.968 50.272 43.026 1.00102.03 N +ATOM 2259 CA ILE A 379 43.767 50.022 43.853 1.00102.16 C +ATOM 2260 C ILE A 379 43.819 50.367 45.338 1.00106.02 C +ATOM 2261 O ILE A 379 42.764 50.477 45.950 1.00109.06 O +ATOM 2262 CB ILE A 379 43.180 48.573 43.707 1.00 98.47 C +ATOM 2263 CG1 ILE A 379 43.741 47.622 44.772 1.00 93.01 C +ATOM 2264 CG2 ILE A 379 43.323 48.053 42.281 1.00 96.52 C +ATOM 2265 CD1 ILE A 379 43.241 46.203 44.655 1.00 87.07 C +ATOM 2266 N GLY A 380 45.009 50.495 45.922 1.00107.55 N +ATOM 2267 CA GLY A 380 45.118 50.894 47.321 1.00111.18 C +ATOM 2268 C GLY A 380 45.427 49.810 48.352 1.00112.09 C +ATOM 2269 O GLY A 380 44.618 49.576 49.264 1.00112.74 O +ATOM 2270 N LEU A 381 46.602 49.172 48.238 1.00111.26 N +ATOM 2271 CA LEU A 381 47.098 48.236 49.278 1.00111.01 C +ATOM 2272 C LEU A 381 48.562 48.437 49.696 1.00112.32 C +ATOM 2273 O LEU A 381 49.001 47.955 50.750 1.00111.21 O +ATOM 2274 CB LEU A 381 46.891 46.787 48.837 1.00108.57 C +ATOM 2275 CG LEU A 381 45.462 46.241 48.715 1.00105.68 C +ATOM 2276 CD1 LEU A 381 45.423 45.077 47.691 1.00100.05 C +ATOM 2277 CD2 LEU A 381 44.900 45.838 50.086 1.00106.21 C +TER 2278 LEU A 381 +END diff --git a/bench/main_benchmark/structures/SFB_AL_PHOB_1B00A_1ZESA/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_PHOB_1B00A_1ZESA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8785b07d08893986ca090fab5de6db760e07cfe4 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_PHOB_1B00A_1ZESA/state_a.pdb @@ -0,0 +1,982 @@ +ATOM 1 N ALA A 2 11.761 32.794 36.963 1.00 37.26 N +ATOM 2 CA ALA A 2 10.361 33.249 37.197 1.00 36.49 C +ATOM 3 C ALA A 2 9.504 33.041 35.959 1.00 36.62 C +ATOM 4 O ALA A 2 8.276 33.066 36.033 1.00 40.73 O +ATOM 5 CB ALA A 2 10.349 34.720 37.596 1.00 37.41 C +ATOM 6 N ARG A 3 10.151 32.841 34.815 1.00 35.12 N +ATOM 7 CA ARG A 3 9.425 32.632 33.573 1.00 33.31 C +ATOM 8 C ARG A 3 9.858 31.364 32.853 1.00 33.82 C +ATOM 9 O ARG A 3 9.571 31.197 31.669 1.00 30.66 O +ATOM 10 CB ARG A 3 9.617 33.824 32.654 1.00 35.83 C +ATOM 11 CG ARG A 3 8.951 35.080 33.152 1.00 34.86 C +ATOM 12 CD ARG A 3 9.297 36.247 32.260 1.00 34.98 C +ATOM 13 NE ARG A 3 10.738 36.344 32.045 1.00 38.65 N +ATOM 14 CZ ARG A 3 11.627 36.565 33.007 1.00 40.55 C +ATOM 15 NH1 ARG A 3 12.917 36.634 32.704 1.00 38.41 N +ATOM 16 NH2 ARG A 3 11.230 36.718 34.269 1.00 39.93 N +ATOM 17 N ARG A 4 10.549 30.477 33.570 1.00 32.53 N +ATOM 18 CA ARG A 4 11.012 29.217 33.004 1.00 29.63 C +ATOM 19 C ARG A 4 9.835 28.248 32.916 1.00 29.66 C +ATOM 20 O ARG A 4 9.391 27.697 33.921 1.00 28.32 O +ATOM 21 CB ARG A 4 12.132 28.624 33.870 1.00 33.03 C +ATOM 22 CG ARG A 4 12.805 27.388 33.266 1.00 39.04 C +ATOM 23 CD ARG A 4 14.065 26.996 34.025 1.00 37.29 C +ATOM 24 NE ARG A 4 15.257 27.265 33.236 1.00 46.06 N +ATOM 25 CZ ARG A 4 15.961 26.333 32.608 1.00 46.68 C +ATOM 26 NH1 ARG A 4 15.594 25.064 32.677 1.00 50.07 N +ATOM 27 NH2 ARG A 4 17.032 26.673 31.907 1.00 55.32 N +ATOM 28 N ILE A 5 9.344 28.034 31.700 1.00 27.95 N +ATOM 29 CA ILE A 5 8.200 27.165 31.483 1.00 25.72 C +ATOM 30 C ILE A 5 8.634 25.852 30.855 1.00 27.43 C +ATOM 31 O ILE A 5 9.155 25.845 29.743 1.00 26.14 O +ATOM 32 CB ILE A 5 7.172 27.836 30.536 1.00 25.09 C +ATOM 33 CG1 ILE A 5 6.862 29.267 30.994 1.00 21.07 C +ATOM 34 CG2 ILE A 5 5.926 26.976 30.426 1.00 24.23 C +ATOM 35 CD1 ILE A 5 6.059 29.367 32.276 1.00 21.23 C +ATOM 36 N LEU A 6 8.427 24.741 31.565 1.00 27.92 N +ATOM 37 CA LEU A 6 8.785 23.427 31.035 1.00 24.43 C +ATOM 38 C LEU A 6 7.613 22.951 30.207 1.00 24.95 C +ATOM 39 O LEU A 6 6.490 22.816 30.701 1.00 24.30 O +ATOM 40 CB LEU A 6 9.060 22.430 32.165 1.00 22.94 C +ATOM 41 CG LEU A 6 9.310 20.962 31.771 1.00 23.19 C +ATOM 42 CD1 LEU A 6 10.480 20.886 30.812 1.00 19.78 C +ATOM 43 CD2 LEU A 6 9.614 20.114 33.020 1.00 23.10 C +ATOM 44 N VAL A 7 7.881 22.717 28.931 1.00 23.78 N +ATOM 45 CA VAL A 7 6.858 22.240 28.010 1.00 22.30 C +ATOM 46 C VAL A 7 7.072 20.760 27.717 1.00 21.42 C +ATOM 47 O VAL A 7 8.049 20.396 27.059 1.00 22.68 O +ATOM 48 CB VAL A 7 6.914 23.011 26.700 1.00 19.31 C +ATOM 49 CG1 VAL A 7 5.833 22.486 25.749 1.00 22.32 C +ATOM 50 CG2 VAL A 7 6.748 24.504 26.978 1.00 16.29 C +ATOM 51 N VAL A 8 6.179 19.913 28.229 1.00 19.20 N +ATOM 52 CA VAL A 8 6.282 18.473 28.011 1.00 22.59 C +ATOM 53 C VAL A 8 5.247 18.017 26.983 1.00 24.75 C +ATOM 54 O VAL A 8 4.079 17.774 27.313 1.00 25.71 O +ATOM 55 CB VAL A 8 6.063 17.684 29.312 1.00 22.94 C +ATOM 56 CG1 VAL A 8 6.426 16.200 29.109 1.00 20.72 C +ATOM 57 CG2 VAL A 8 6.907 18.296 30.413 1.00 25.05 C +ATOM 58 N GLU A 9 5.695 17.905 25.733 1.00 21.95 N +ATOM 59 CA GLU A 9 4.843 17.505 24.623 1.00 22.51 C +ATOM 60 C GLU A 9 5.714 16.789 23.573 1.00 23.55 C +ATOM 61 O GLU A 9 6.724 17.324 23.106 1.00 24.53 O +ATOM 62 CB GLU A 9 4.166 18.747 24.043 1.00 18.85 C +ATOM 63 CG GLU A 9 3.646 18.609 22.622 1.00 22.58 C +ATOM 64 CD GLU A 9 2.337 17.848 22.553 1.00 24.53 C +ATOM 65 OE1 GLU A 9 1.391 18.229 23.273 1.00 25.54 O +ATOM 66 OE2 GLU A 9 2.259 16.867 21.779 1.00 26.94 O +ATOM 67 N ASP A 10 5.335 15.564 23.217 1.00 23.23 N +ATOM 68 CA ASP A 10 6.126 14.805 22.256 1.00 26.71 C +ATOM 69 C ASP A 10 5.973 15.225 20.785 1.00 25.49 C +ATOM 70 O ASP A 10 6.927 15.111 20.014 1.00 24.96 O +ATOM 71 CB ASP A 10 5.865 13.296 22.424 1.00 20.94 C +ATOM 72 CG ASP A 10 4.541 12.864 21.856 1.00 20.36 C +ATOM 73 OD1 ASP A 10 3.567 12.756 22.619 1.00 25.13 O +ATOM 74 OD2 ASP A 10 4.470 12.629 20.637 1.00 30.56 O +ATOM 75 N GLU A 11 4.804 15.722 20.388 1.00 25.72 N +ATOM 76 CA GLU A 11 4.604 16.124 18.994 1.00 25.60 C +ATOM 77 C GLU A 11 5.350 17.419 18.679 1.00 24.72 C +ATOM 78 O GLU A 11 4.997 18.486 19.169 1.00 25.69 O +ATOM 79 CB GLU A 11 3.118 16.309 18.702 1.00 28.34 C +ATOM 80 CG GLU A 11 2.828 16.697 17.258 1.00 33.76 C +ATOM 81 CD GLU A 11 2.949 15.526 16.301 1.00 39.57 C +ATOM 82 OE1 GLU A 11 3.976 15.425 15.595 1.00 37.80 O +ATOM 83 OE2 GLU A 11 2.011 14.706 16.258 1.00 43.90 O +ATOM 84 N ALA A 12 6.369 17.334 17.837 1.00 24.41 N +ATOM 85 CA ALA A 12 7.185 18.498 17.524 1.00 23.82 C +ATOM 86 C ALA A 12 6.454 19.793 17.129 1.00 23.01 C +ATOM 87 O ALA A 12 6.641 20.826 17.775 1.00 24.48 O +ATOM 88 CB ALA A 12 8.204 18.121 16.471 1.00 23.49 C +ATOM 89 N PRO A 13 5.613 19.772 16.078 1.00 22.84 N +ATOM 90 CA PRO A 13 4.928 21.024 15.716 1.00 21.66 C +ATOM 91 C PRO A 13 4.108 21.597 16.849 1.00 22.37 C +ATOM 92 O PRO A 13 4.085 22.797 17.029 1.00 25.71 O +ATOM 93 CB PRO A 13 4.046 20.644 14.538 1.00 17.06 C +ATOM 94 CG PRO A 13 3.922 19.184 14.620 1.00 20.45 C +ATOM 95 CD PRO A 13 5.212 18.675 15.196 1.00 21.00 C +ATOM 96 N ILE A 14 3.423 20.744 17.607 1.00 20.59 N +ATOM 97 CA ILE A 14 2.619 21.225 18.715 1.00 19.59 C +ATOM 98 C ILE A 14 3.538 21.857 19.770 1.00 21.73 C +ATOM 99 O ILE A 14 3.334 23.003 20.191 1.00 19.87 O +ATOM 100 CB ILE A 14 1.818 20.083 19.360 1.00 23.17 C +ATOM 101 CG1 ILE A 14 0.883 19.450 18.325 1.00 20.06 C +ATOM 102 CG2 ILE A 14 1.037 20.610 20.572 1.00 24.29 C +ATOM 103 CD1 ILE A 14 -0.112 18.488 18.927 1.00 20.36 C +ATOM 104 N ARG A 15 4.545 21.100 20.195 1.00 21.01 N +ATOM 105 CA ARG A 15 5.503 21.579 21.177 1.00 20.86 C +ATOM 106 C ARG A 15 6.115 22.889 20.692 1.00 23.91 C +ATOM 107 O ARG A 15 6.374 23.794 21.476 1.00 26.78 O +ATOM 108 CB ARG A 15 6.599 20.541 21.382 1.00 22.03 C +ATOM 109 CG ARG A 15 7.660 20.935 22.388 1.00 21.19 C +ATOM 110 CD ARG A 15 8.571 19.759 22.708 1.00 20.56 C +ATOM 111 NE ARG A 15 9.518 19.498 21.632 1.00 21.65 N +ATOM 112 CZ ARG A 15 9.410 18.500 20.763 1.00 25.02 C +ATOM 113 NH1 ARG A 15 8.391 17.658 20.839 1.00 20.23 N +ATOM 114 NH2 ARG A 15 10.325 18.338 19.814 1.00 26.83 N +ATOM 115 N GLU A 16 6.351 23.005 19.392 1.00 21.95 N +ATOM 116 CA GLU A 16 6.922 24.239 18.887 1.00 26.30 C +ATOM 117 C GLU A 16 5.901 25.389 18.906 1.00 26.69 C +ATOM 118 O GLU A 16 6.247 26.531 19.227 1.00 27.96 O +ATOM 119 CB GLU A 16 7.476 24.010 17.487 1.00 31.56 C +ATOM 120 CG GLU A 16 8.588 22.970 17.458 0.50 31.71 C +ATOM 121 CD GLU A 16 9.211 22.814 16.085 0.00 31.91 C +ATOM 122 OE1 GLU A 16 8.595 23.258 15.094 0.00 32.04 O +ATOM 123 OE2 GLU A 16 10.320 22.249 15.992 0.00 32.00 O +ATOM 124 N MET A 17 4.646 25.096 18.578 1.00 23.21 N +ATOM 125 CA MET A 17 3.611 26.125 18.616 1.00 24.89 C +ATOM 126 C MET A 17 3.552 26.698 20.030 1.00 23.01 C +ATOM 127 O MET A 17 3.442 27.907 20.214 1.00 23.13 O +ATOM 128 CB MET A 17 2.238 25.539 18.288 1.00 27.60 C +ATOM 129 CG MET A 17 1.886 25.478 16.822 1.00 40.67 C +ATOM 130 SD MET A 17 0.258 24.711 16.541 1.00 45.62 S +ATOM 131 CE MET A 17 0.746 23.046 15.920 1.00 39.59 C +ATOM 132 N VAL A 18 3.606 25.821 21.032 1.00 20.43 N +ATOM 133 CA VAL A 18 3.543 26.254 22.429 1.00 20.78 C +ATOM 134 C VAL A 18 4.747 27.109 22.795 1.00 22.77 C +ATOM 135 O VAL A 18 4.610 28.155 23.438 1.00 20.97 O +ATOM 136 CB VAL A 18 3.472 25.047 23.398 1.00 20.79 C +ATOM 137 CG1 VAL A 18 3.742 25.500 24.815 1.00 19.99 C +ATOM 138 CG2 VAL A 18 2.100 24.402 23.330 1.00 22.02 C +ATOM 139 N CYS A 19 5.931 26.678 22.377 1.00 22.39 N +ATOM 140 CA CYS A 19 7.126 27.432 22.704 1.00 21.43 C +ATOM 141 C CYS A 19 7.125 28.801 22.025 1.00 22.62 C +ATOM 142 O CYS A 19 7.565 29.787 22.624 1.00 22.88 O +ATOM 143 CB CYS A 19 8.385 26.635 22.333 1.00 21.68 C +ATOM 144 SG CYS A 19 8.712 25.243 23.440 1.00 24.27 S +ATOM 145 N PHE A 20 6.624 28.865 20.790 1.00 21.04 N +ATOM 146 CA PHE A 20 6.555 30.127 20.047 1.00 20.87 C +ATOM 147 C PHE A 20 5.649 31.120 20.796 1.00 20.63 C +ATOM 148 O PHE A 20 6.029 32.261 21.055 1.00 20.92 O +ATOM 149 CB PHE A 20 6.020 29.861 18.629 1.00 24.68 C +ATOM 150 CG PHE A 20 5.798 31.106 17.800 1.00 25.33 C +ATOM 151 CD1 PHE A 20 6.836 31.662 17.065 1.00 29.31 C +ATOM 152 CD2 PHE A 20 4.538 31.691 17.725 1.00 23.82 C +ATOM 153 CE1 PHE A 20 6.627 32.789 16.259 1.00 26.79 C +ATOM 154 CE2 PHE A 20 4.312 32.816 16.925 1.00 24.09 C +ATOM 155 CZ PHE A 20 5.358 33.367 16.190 1.00 26.42 C +ATOM 156 N VAL A 21 4.449 30.684 21.159 1.00 22.47 N +ATOM 157 CA VAL A 21 3.534 31.547 21.887 1.00 20.37 C +ATOM 158 C VAL A 21 4.171 32.024 23.186 1.00 20.28 C +ATOM 159 O VAL A 21 4.047 33.193 23.546 1.00 22.45 O +ATOM 160 CB VAL A 21 2.229 30.820 22.233 1.00 19.37 C +ATOM 161 CG1 VAL A 21 1.409 31.663 23.171 1.00 18.99 C +ATOM 162 CG2 VAL A 21 1.443 30.530 20.979 1.00 11.92 C +ATOM 163 N LEU A 22 4.851 31.126 23.890 1.00 18.85 N +ATOM 164 CA LEU A 22 5.497 31.476 25.154 1.00 22.67 C +ATOM 165 C LEU A 22 6.628 32.470 24.957 1.00 23.15 C +ATOM 166 O LEU A 22 6.672 33.504 25.623 1.00 24.46 O +ATOM 167 CB LEU A 22 6.052 30.225 25.846 1.00 21.81 C +ATOM 168 CG LEU A 22 4.978 29.224 26.262 1.00 26.94 C +ATOM 169 CD1 LEU A 22 5.614 27.984 26.872 1.00 22.94 C +ATOM 170 CD2 LEU A 22 4.032 29.892 27.245 1.00 24.43 C +ATOM 171 N GLU A 23 7.546 32.161 24.046 1.00 22.22 N +ATOM 172 CA GLU A 23 8.667 33.049 23.773 1.00 23.98 C +ATOM 173 C GLU A 23 8.197 34.421 23.326 1.00 23.17 C +ATOM 174 O GLU A 23 8.677 35.442 23.813 1.00 23.70 O +ATOM 175 CB GLU A 23 9.559 32.452 22.694 1.00 26.19 C +ATOM 176 CG GLU A 23 10.494 31.406 23.223 1.00 39.64 C +ATOM 177 CD GLU A 23 11.432 30.879 22.161 1.00 46.17 C +ATOM 178 OE1 GLU A 23 10.944 30.537 21.047 1.00 36.79 O +ATOM 179 OE2 GLU A 23 12.651 30.814 22.457 1.00 48.14 O +ATOM 180 N GLN A 24 7.252 34.457 22.397 1.00 21.34 N +ATOM 181 CA GLN A 24 6.772 35.739 21.919 1.00 21.02 C +ATOM 182 C GLN A 24 6.160 36.543 23.052 1.00 20.67 C +ATOM 183 O GLN A 24 6.161 37.765 23.007 1.00 22.66 O +ATOM 184 CB GLN A 24 5.750 35.549 20.802 1.00 19.73 C +ATOM 185 CG GLN A 24 6.345 35.091 19.467 1.00 22.51 C +ATOM 186 CD GLN A 24 7.245 36.127 18.829 1.00 24.81 C +ATOM 187 OE1 GLN A 24 6.823 37.253 18.578 1.00 31.79 O +ATOM 188 NE2 GLN A 24 8.494 35.756 18.565 1.00 25.67 N +ATOM 189 N ASN A 25 5.656 35.863 24.076 1.00 20.25 N +ATOM 190 CA ASN A 25 5.030 36.544 25.209 1.00 20.32 C +ATOM 191 C ASN A 25 5.953 36.833 26.379 1.00 20.24 C +ATOM 192 O ASN A 25 5.495 37.177 27.471 1.00 19.83 O +ATOM 193 CB ASN A 25 3.820 35.750 25.696 1.00 20.82 C +ATOM 194 CG ASN A 25 2.570 36.084 24.921 1.00 20.81 C +ATOM 195 OD1 ASN A 25 1.966 37.133 25.133 1.00 22.58 O +ATOM 196 ND2 ASN A 25 2.173 35.201 24.014 1.00 19.05 N +ATOM 197 N GLY A 26 7.251 36.688 26.149 1.00 20.78 N +ATOM 198 CA GLY A 26 8.223 36.987 27.190 1.00 25.69 C +ATOM 199 C GLY A 26 8.536 35.891 28.193 1.00 28.05 C +ATOM 200 O GLY A 26 9.127 36.160 29.239 1.00 28.60 O +ATOM 201 N PHE A 27 8.141 34.657 27.889 1.00 27.80 N +ATOM 202 CA PHE A 27 8.421 33.534 28.775 1.00 22.81 C +ATOM 203 C PHE A 27 9.663 32.812 28.241 1.00 23.79 C +ATOM 204 O PHE A 27 10.063 33.004 27.088 1.00 23.41 O +ATOM 205 CB PHE A 27 7.235 32.563 28.802 1.00 22.46 C +ATOM 206 CG PHE A 27 6.037 33.069 29.562 1.00 21.83 C +ATOM 207 CD1 PHE A 27 5.948 32.919 30.942 1.00 21.92 C +ATOM 208 CD2 PHE A 27 4.956 33.618 28.887 1.00 23.85 C +ATOM 209 CE1 PHE A 27 4.794 33.308 31.636 1.00 20.73 C +ATOM 210 CE2 PHE A 27 3.798 34.013 29.564 1.00 22.25 C +ATOM 211 CZ PHE A 27 3.714 33.853 30.940 1.00 21.25 C +ATOM 212 N GLN A 28 10.274 31.984 29.076 1.00 24.01 N +ATOM 213 CA GLN A 28 11.443 31.222 28.663 1.00 26.80 C +ATOM 214 C GLN A 28 11.089 29.744 28.682 1.00 26.33 C +ATOM 215 O GLN A 28 11.220 29.085 29.707 1.00 30.45 O +ATOM 216 CB GLN A 28 12.619 31.500 29.598 1.00 27.68 C +ATOM 217 CG GLN A 28 13.054 32.969 29.556 1.00 34.41 C +ATOM 218 CD GLN A 28 14.102 33.299 30.595 0.00 29.09 C +ATOM 219 OE1 GLN A 28 13.796 33.441 31.777 0.00 29.17 O +ATOM 220 NE2 GLN A 28 15.351 33.421 30.158 0.00 29.19 N +ATOM 221 N PRO A 29 10.606 29.215 27.545 1.00 25.46 N +ATOM 222 CA PRO A 29 10.221 27.806 27.412 1.00 24.60 C +ATOM 223 C PRO A 29 11.408 26.856 27.452 1.00 25.25 C +ATOM 224 O PRO A 29 12.499 27.212 27.036 1.00 26.61 O +ATOM 225 CB PRO A 29 9.498 27.751 26.061 1.00 21.31 C +ATOM 226 CG PRO A 29 10.065 28.884 25.296 1.00 25.60 C +ATOM 227 CD PRO A 29 10.378 29.965 26.295 1.00 24.36 C +ATOM 228 N VAL A 30 11.172 25.656 27.970 1.00 26.57 N +ATOM 229 CA VAL A 30 12.165 24.594 28.066 1.00 26.13 C +ATOM 230 C VAL A 30 11.401 23.367 27.573 1.00 27.06 C +ATOM 231 O VAL A 30 10.298 23.102 28.041 1.00 25.44 O +ATOM 232 CB VAL A 30 12.588 24.359 29.513 1.00 29.72 C +ATOM 233 CG1 VAL A 30 13.841 23.527 29.538 1.00 31.97 C +ATOM 234 CG2 VAL A 30 12.808 25.698 30.213 1.00 32.74 C +ATOM 235 N GLU A 31 11.979 22.611 26.646 1.00 26.20 N +ATOM 236 CA GLU A 31 11.278 21.465 26.075 1.00 25.00 C +ATOM 237 C GLU A 31 11.627 20.104 26.638 1.00 23.42 C +ATOM 238 O GLU A 31 12.740 19.871 27.067 1.00 26.04 O +ATOM 239 CB GLU A 31 11.495 21.432 24.549 1.00 25.62 C +ATOM 240 CG GLU A 31 10.943 22.631 23.792 1.00 26.10 C +ATOM 241 CD GLU A 31 11.506 22.748 22.383 1.00 29.39 C +ATOM 242 OE1 GLU A 31 11.386 21.775 21.611 1.00 31.53 O +ATOM 243 OE2 GLU A 31 12.069 23.813 22.037 1.00 30.69 O +ATOM 244 N ALA A 32 10.651 19.209 26.604 1.00 22.67 N +ATOM 245 CA ALA A 32 10.804 17.838 27.059 1.00 25.02 C +ATOM 246 C ALA A 32 9.884 17.031 26.154 1.00 22.89 C +ATOM 247 O ALA A 32 8.780 17.488 25.853 1.00 25.00 O +ATOM 248 CB ALA A 32 10.371 17.718 28.491 1.00 28.52 C +ATOM 249 N GLU A 33 10.317 15.849 25.720 1.00 23.79 N +ATOM 250 CA GLU A 33 9.500 15.053 24.814 1.00 24.35 C +ATOM 251 C GLU A 33 8.873 13.838 25.445 1.00 25.08 C +ATOM 252 O GLU A 33 8.069 13.165 24.809 1.00 24.03 O +ATOM 253 CB GLU A 33 10.324 14.608 23.604 1.00 26.11 C +ATOM 254 CG GLU A 33 11.206 15.704 23.020 1.00 34.90 C +ATOM 255 CD GLU A 33 11.543 15.497 21.545 1.00 39.11 C +ATOM 256 OE1 GLU A 33 12.263 16.353 20.984 1.00 43.51 O +ATOM 257 OE2 GLU A 33 11.095 14.493 20.947 1.00 39.24 O +ATOM 258 N ASP A 34 9.249 13.546 26.687 1.00 24.43 N +ATOM 259 CA ASP A 34 8.704 12.388 27.392 1.00 24.53 C +ATOM 260 C ASP A 34 8.859 12.483 28.909 1.00 24.54 C +ATOM 261 O ASP A 34 9.448 13.439 29.426 1.00 23.03 O +ATOM 262 CB ASP A 34 9.345 11.086 26.870 1.00 26.09 C +ATOM 263 CG ASP A 34 10.796 10.921 27.290 1.00 27.50 C +ATOM 264 OD1 ASP A 34 11.332 9.803 27.146 1.00 33.41 O +ATOM 265 OD2 ASP A 34 11.403 11.896 27.763 1.00 28.17 O +ATOM 266 N TYR A 35 8.317 11.488 29.614 1.00 23.59 N +ATOM 267 CA TYR A 35 8.365 11.432 31.072 1.00 21.93 C +ATOM 268 C TYR A 35 9.776 11.617 31.631 1.00 24.36 C +ATOM 269 O TYR A 35 10.023 12.511 32.448 1.00 23.81 O +ATOM 270 CB TYR A 35 7.780 10.096 31.556 1.00 19.79 C +ATOM 271 CG TYR A 35 7.500 10.030 33.047 1.00 21.68 C +ATOM 272 CD1 TYR A 35 6.193 10.047 33.535 1.00 19.70 C +ATOM 273 CD2 TYR A 35 8.545 9.941 33.971 1.00 23.00 C +ATOM 274 CE1 TYR A 35 5.929 9.978 34.911 1.00 21.94 C +ATOM 275 CE2 TYR A 35 8.296 9.874 35.348 1.00 26.01 C +ATOM 276 CZ TYR A 35 6.986 9.893 35.813 1.00 24.96 C +ATOM 277 OH TYR A 35 6.749 9.844 37.175 1.00 26.90 O +ATOM 278 N ASP A 36 10.705 10.774 31.192 1.00 24.61 N +ATOM 279 CA ASP A 36 12.081 10.841 31.677 1.00 27.59 C +ATOM 280 C ASP A 36 12.846 12.116 31.319 1.00 26.65 C +ATOM 281 O ASP A 36 13.653 12.594 32.125 1.00 28.46 O +ATOM 282 CB ASP A 36 12.867 9.617 31.197 1.00 29.39 C +ATOM 283 CG ASP A 36 12.464 8.348 31.921 1.00 29.29 C +ATOM 284 OD1 ASP A 36 11.821 8.452 32.986 1.00 24.01 O +ATOM 285 OD2 ASP A 36 12.785 7.251 31.419 1.00 36.95 O +ATOM 286 N SER A 37 12.621 12.670 30.126 1.00 24.55 N +ATOM 287 CA SER A 37 13.325 13.898 29.767 1.00 25.05 C +ATOM 288 C SER A 37 12.735 15.060 30.559 1.00 24.98 C +ATOM 289 O SER A 37 13.421 16.034 30.873 1.00 25.88 O +ATOM 290 CB SER A 37 13.227 14.174 28.273 1.00 21.75 C +ATOM 291 OG SER A 37 11.888 14.369 27.886 1.00 32.96 O +ATOM 292 N ALA A 38 11.451 14.965 30.878 1.00 23.53 N +ATOM 293 CA ALA A 38 10.832 15.995 31.692 1.00 24.48 C +ATOM 294 C ALA A 38 11.510 15.922 33.069 1.00 29.22 C +ATOM 295 O ALA A 38 11.972 16.935 33.588 1.00 35.99 O +ATOM 296 CB ALA A 38 9.327 15.750 31.819 1.00 23.16 C +ATOM 297 N VAL A 39 11.591 14.720 33.645 1.00 29.10 N +ATOM 298 CA VAL A 39 12.219 14.535 34.960 1.00 28.79 C +ATOM 299 C VAL A 39 13.655 15.063 34.966 1.00 25.62 C +ATOM 300 O VAL A 39 14.135 15.566 35.973 1.00 25.80 O +ATOM 301 CB VAL A 39 12.222 13.037 35.382 1.00 28.52 C +ATOM 302 CG1 VAL A 39 13.159 12.819 36.546 1.00 24.26 C +ATOM 303 CG2 VAL A 39 10.815 12.604 35.774 1.00 24.00 C +ATOM 304 N ASN A 40 14.327 14.957 33.831 1.00 25.02 N +ATOM 305 CA ASN A 40 15.701 15.423 33.704 1.00 28.72 C +ATOM 306 C ASN A 40 15.823 16.951 33.739 1.00 29.53 C +ATOM 307 O ASN A 40 16.922 17.494 33.840 1.00 33.82 O +ATOM 308 CB ASN A 40 16.316 14.884 32.401 1.00 30.56 C +ATOM 309 CG ASN A 40 16.637 13.405 32.478 1.00 32.87 C +ATOM 310 OD1 ASN A 40 16.747 12.840 33.568 1.00 34.99 O +ATOM 311 ND2 ASN A 40 16.783 12.768 31.324 1.00 32.46 N +ATOM 312 N GLN A 41 14.701 17.649 33.650 1.00 28.33 N +ATOM 313 CA GLN A 41 14.741 19.102 33.669 1.00 30.09 C +ATOM 314 C GLN A 41 14.492 19.628 35.079 1.00 28.66 C +ATOM 315 O GLN A 41 14.608 20.827 35.333 1.00 30.52 O +ATOM 316 CB GLN A 41 13.690 19.671 32.711 1.00 33.18 C +ATOM 317 CG GLN A 41 13.743 19.105 31.311 1.00 37.67 C +ATOM 318 CD GLN A 41 15.115 19.227 30.691 1.00 41.04 C +ATOM 319 OE1 GLN A 41 15.902 20.103 31.051 1.00 37.61 O +ATOM 320 NE2 GLN A 41 15.414 18.337 29.750 1.00 44.97 N +ATOM 321 N LEU A 42 14.144 18.726 35.994 1.00 31.31 N +ATOM 322 CA LEU A 42 13.877 19.109 37.375 1.00 30.63 C +ATOM 323 C LEU A 42 15.137 19.291 38.214 1.00 32.42 C +ATOM 324 O LEU A 42 15.522 18.414 38.980 1.00 32.06 O +ATOM 325 CB LEU A 42 12.955 18.094 38.058 1.00 24.87 C +ATOM 326 CG LEU A 42 11.641 17.832 37.320 1.00 22.87 C +ATOM 327 CD1 LEU A 42 10.988 16.546 37.807 1.00 22.51 C +ATOM 328 CD2 LEU A 42 10.714 19.007 37.526 1.00 23.03 C +ATOM 329 N ASN A 43 15.770 20.447 38.043 1.00 33.72 N +ATOM 330 CA ASN A 43 16.952 20.839 38.800 1.00 37.63 C +ATOM 331 C ASN A 43 17.203 22.341 38.584 1.00 36.33 C +ATOM 332 O ASN A 43 16.609 22.950 37.699 1.00 34.55 O +ATOM 333 CB ASN A 43 18.178 19.997 38.403 1.00 41.25 C +ATOM 334 CG ASN A 43 18.337 19.839 36.907 1.00 47.59 C +ATOM 335 OD1 ASN A 43 18.495 20.815 36.168 1.00 51.46 O +ATOM 336 ND2 ASN A 43 18.321 18.595 36.452 1.00 48.90 N +ATOM 337 N GLU A 44 18.047 22.959 39.402 1.00 34.96 N +ATOM 338 CA GLU A 44 18.278 24.383 39.216 1.00 37.08 C +ATOM 339 C GLU A 44 18.922 24.681 37.863 1.00 37.93 C +ATOM 340 O GLU A 44 19.888 24.025 37.458 1.00 43.06 O +ATOM 341 CB GLU A 44 19.136 24.936 40.353 1.00 39.60 C +ATOM 342 CG GLU A 44 20.534 24.352 40.439 1.00 44.54 C +ATOM 343 CD GLU A 44 21.337 24.977 41.567 0.00 42.28 C +ATOM 344 OE1 GLU A 44 22.583 25.023 41.474 0.00 42.56 O +ATOM 345 OE2 GLU A 44 20.712 25.428 42.550 0.00 42.49 O +ATOM 346 N PRO A 45 18.377 25.670 37.136 1.00 36.58 N +ATOM 347 CA PRO A 45 17.218 26.451 37.596 1.00 36.72 C +ATOM 348 C PRO A 45 15.934 25.654 37.403 1.00 36.71 C +ATOM 349 O PRO A 45 15.720 25.054 36.345 1.00 38.27 O +ATOM 350 CB PRO A 45 17.254 27.698 36.724 1.00 35.39 C +ATOM 351 CG PRO A 45 17.921 27.247 35.459 1.00 37.37 C +ATOM 352 CD PRO A 45 18.835 26.086 35.799 1.00 35.19 C +ATOM 353 N TRP A 46 15.087 25.661 38.425 1.00 33.74 N +ATOM 354 CA TRP A 46 13.830 24.922 38.414 1.00 35.12 C +ATOM 355 C TRP A 46 12.721 25.568 37.597 1.00 33.24 C +ATOM 356 O TRP A 46 12.555 26.783 37.607 1.00 35.30 O +ATOM 357 CB TRP A 46 13.318 24.768 39.841 1.00 36.52 C +ATOM 358 CG TRP A 46 14.333 24.269 40.795 1.00 38.72 C +ATOM 359 CD1 TRP A 46 15.234 25.012 41.517 1.00 39.77 C +ATOM 360 CD2 TRP A 46 14.540 22.910 41.166 1.00 39.30 C +ATOM 361 NE1 TRP A 46 15.990 24.188 42.319 1.00 40.31 N +ATOM 362 CE2 TRP A 46 15.588 22.893 42.125 1.00 40.92 C +ATOM 363 CE3 TRP A 46 13.947 21.702 40.789 1.00 34.03 C +ATOM 364 CZ2 TRP A 46 16.048 21.715 42.705 1.00 36.36 C +ATOM 365 CZ3 TRP A 46 14.402 20.535 41.362 1.00 39.77 C +ATOM 366 CH2 TRP A 46 15.448 20.548 42.315 1.00 39.50 C +ATOM 367 N PRO A 47 11.932 24.760 36.893 1.00 28.87 N +ATOM 368 CA PRO A 47 10.850 25.347 36.103 1.00 28.29 C +ATOM 369 C PRO A 47 9.911 26.077 37.046 1.00 26.59 C +ATOM 370 O PRO A 47 9.679 25.626 38.163 1.00 25.52 O +ATOM 371 CB PRO A 47 10.170 24.146 35.463 1.00 26.98 C +ATOM 372 CG PRO A 47 11.181 23.035 35.549 1.00 30.86 C +ATOM 373 CD PRO A 47 11.989 23.297 36.774 1.00 29.79 C +ATOM 374 N ASP A 48 9.386 27.213 36.607 1.00 27.61 N +ATOM 375 CA ASP A 48 8.465 27.994 37.425 1.00 26.32 C +ATOM 376 C ASP A 48 7.044 27.490 37.177 1.00 26.89 C +ATOM 377 O ASP A 48 6.127 27.783 37.932 1.00 23.92 O +ATOM 378 CB ASP A 48 8.600 29.488 37.084 1.00 29.94 C +ATOM 379 CG ASP A 48 9.965 30.054 37.478 1.00 27.67 C +ATOM 380 OD1 ASP A 48 10.855 30.199 36.617 1.00 30.74 O +ATOM 381 OD2 ASP A 48 10.147 30.351 38.665 1.00 30.29 O +ATOM 382 N LEU A 49 6.890 26.712 36.109 1.00 26.76 N +ATOM 383 CA LEU A 49 5.617 26.114 35.725 1.00 25.77 C +ATOM 384 C LEU A 49 5.871 25.008 34.702 1.00 27.39 C +ATOM 385 O LEU A 49 6.769 25.110 33.854 1.00 22.47 O +ATOM 386 CB LEU A 49 4.673 27.145 35.113 1.00 25.38 C +ATOM 387 CG LEU A 49 3.260 26.593 34.894 1.00 22.97 C +ATOM 388 CD1 LEU A 49 2.239 27.650 35.248 1.00 25.12 C +ATOM 389 CD2 LEU A 49 3.099 26.147 33.451 1.00 19.82 C +ATOM 390 N ILE A 50 5.063 23.954 34.803 1.00 27.32 N +ATOM 391 CA ILE A 50 5.145 22.791 33.924 1.00 25.15 C +ATOM 392 C ILE A 50 3.857 22.619 33.135 1.00 22.93 C +ATOM 393 O ILE A 50 2.770 22.596 33.716 1.00 21.73 O +ATOM 394 CB ILE A 50 5.366 21.472 34.725 1.00 27.37 C +ATOM 395 CG1 ILE A 50 6.646 21.562 35.563 1.00 25.22 C +ATOM 396 CG2 ILE A 50 5.437 20.269 33.765 1.00 23.12 C +ATOM 397 CD1 ILE A 50 6.778 20.462 36.585 1.00 22.10 C +ATOM 398 N LEU A 51 3.981 22.515 31.818 1.00 22.94 N +ATOM 399 CA LEU A 51 2.823 22.265 30.958 1.00 23.89 C +ATOM 400 C LEU A 51 2.998 20.771 30.654 1.00 24.19 C +ATOM 401 O LEU A 51 3.929 20.366 29.952 1.00 23.93 O +ATOM 402 CB LEU A 51 2.893 23.116 29.684 1.00 21.77 C +ATOM 403 CG LEU A 51 2.609 24.617 29.803 1.00 25.48 C +ATOM 404 CD1 LEU A 51 2.596 25.228 28.418 1.00 28.56 C +ATOM 405 CD2 LEU A 51 1.277 24.859 30.472 1.00 23.79 C +ATOM 406 N LEU A 52 2.104 19.953 31.199 1.00 26.38 N +ATOM 407 CA LEU A 52 2.218 18.504 31.077 1.00 25.76 C +ATOM 408 C LEU A 52 1.206 17.824 30.159 1.00 24.43 C +ATOM 409 O LEU A 52 0.006 17.851 30.422 1.00 23.09 O +ATOM 410 CB LEU A 52 2.117 17.894 32.482 1.00 23.16 C +ATOM 411 CG LEU A 52 2.455 16.404 32.606 1.00 25.30 C +ATOM 412 CD1 LEU A 52 3.926 16.155 32.253 1.00 20.78 C +ATOM 413 CD2 LEU A 52 2.152 15.937 34.027 1.00 22.32 C +ATOM 414 N ASP A 53 1.687 17.212 29.080 1.00 23.68 N +ATOM 415 CA ASP A 53 0.782 16.523 28.182 1.00 22.71 C +ATOM 416 C ASP A 53 0.360 15.222 28.828 1.00 23.11 C +ATOM 417 O ASP A 53 1.188 14.375 29.162 1.00 23.35 O +ATOM 418 CB ASP A 53 1.426 16.222 26.835 1.00 24.83 C +ATOM 419 CG ASP A 53 0.450 15.544 25.869 1.00 31.60 C +ATOM 420 OD1 ASP A 53 -0.762 15.877 25.887 1.00 31.92 O +ATOM 421 OD2 ASP A 53 0.888 14.665 25.097 1.00 33.50 O +ATOM 422 N TRP A 54 -0.944 15.071 28.995 1.00 19.68 N +ATOM 423 CA TRP A 54 -1.501 13.887 29.609 1.00 21.54 C +ATOM 424 C TRP A 54 -1.013 12.613 28.927 1.00 24.89 C +ATOM 425 O TRP A 54 -0.805 11.585 29.573 1.00 26.53 O +ATOM 426 CB TRP A 54 -3.022 13.965 29.530 1.00 22.45 C +ATOM 427 CG TRP A 54 -3.688 12.719 29.903 1.00 22.07 C +ATOM 428 CD1 TRP A 54 -4.387 11.871 29.085 1.00 19.84 C +ATOM 429 CD2 TRP A 54 -3.716 12.151 31.203 1.00 23.89 C +ATOM 430 NE1 TRP A 54 -4.847 10.800 29.809 1.00 22.83 N +ATOM 431 CE2 TRP A 54 -4.451 10.945 31.111 1.00 25.25 C +ATOM 432 CE3 TRP A 54 -3.191 12.538 32.438 1.00 24.02 C +ATOM 433 CZ2 TRP A 54 -4.669 10.124 32.221 1.00 25.48 C +ATOM 434 CZ3 TRP A 54 -3.407 11.730 33.538 1.00 24.07 C +ATOM 435 CH2 TRP A 54 -4.141 10.533 33.423 1.00 28.67 C +ATOM 436 N MET A 55 -0.832 12.688 27.613 1.00 24.20 N +ATOM 437 CA MET A 55 -0.413 11.532 26.840 1.00 23.37 C +ATOM 438 C MET A 55 1.082 11.421 26.614 1.00 23.34 C +ATOM 439 O MET A 55 1.504 10.749 25.678 1.00 23.15 O +ATOM 440 CB MET A 55 -1.119 11.530 25.485 1.00 26.68 C +ATOM 441 CG MET A 55 -2.562 11.068 25.543 1.00 27.66 C +ATOM 442 SD MET A 55 -2.697 9.416 26.245 1.00 33.77 S +ATOM 443 CE MET A 55 -2.300 8.425 24.775 1.00 26.55 C +ATOM 444 N LEU A 56 1.884 12.066 27.461 1.00 22.96 N +ATOM 445 CA LEU A 56 3.327 11.997 27.289 1.00 24.24 C +ATOM 446 C LEU A 56 3.780 10.539 27.319 1.00 27.01 C +ATOM 447 O LEU A 56 3.304 9.741 28.128 1.00 25.36 O +ATOM 448 CB LEU A 56 4.047 12.796 28.382 1.00 22.61 C +ATOM 449 CG LEU A 56 4.343 12.131 29.730 1.00 24.05 C +ATOM 450 CD1 LEU A 56 5.298 13.001 30.523 1.00 18.51 C +ATOM 451 CD2 LEU A 56 3.060 11.954 30.518 1.00 22.45 C +ATOM 452 N PRO A 57 4.684 10.157 26.405 1.00 26.67 N +ATOM 453 CA PRO A 57 5.149 8.767 26.401 1.00 24.40 C +ATOM 454 C PRO A 57 6.062 8.458 27.597 1.00 23.03 C +ATOM 455 O PRO A 57 6.664 9.365 28.149 1.00 22.79 O +ATOM 456 CB PRO A 57 5.915 8.649 25.077 1.00 25.14 C +ATOM 457 CG PRO A 57 5.673 9.935 24.335 1.00 23.82 C +ATOM 458 CD PRO A 57 5.297 10.954 25.330 1.00 22.06 C +ATOM 459 N GLY A 58 6.164 7.189 27.991 1.00 22.90 N +ATOM 460 CA GLY A 58 7.071 6.814 29.068 1.00 20.44 C +ATOM 461 C GLY A 58 6.606 6.745 30.509 1.00 19.96 C +ATOM 462 O GLY A 58 7.380 6.387 31.400 1.00 23.78 O +ATOM 463 N GLY A 59 5.351 7.064 30.775 1.00 18.13 N +ATOM 464 CA GLY A 59 4.915 6.982 32.154 1.00 17.72 C +ATOM 465 C GLY A 59 3.555 7.590 32.359 1.00 18.88 C +ATOM 466 O GLY A 59 2.843 7.868 31.401 1.00 23.27 O +ATOM 467 N SER A 60 3.192 7.785 33.616 1.00 20.68 N +ATOM 468 CA SER A 60 1.905 8.355 33.970 1.00 18.73 C +ATOM 469 C SER A 60 2.026 9.832 34.363 1.00 19.87 C +ATOM 470 O SER A 60 2.885 10.209 35.168 1.00 19.27 O +ATOM 471 CB SER A 60 1.309 7.547 35.125 1.00 20.97 C +ATOM 472 OG SER A 60 0.137 8.148 35.634 1.00 23.68 O +ATOM 473 N GLY A 61 1.169 10.665 33.780 1.00 18.94 N +ATOM 474 CA GLY A 61 1.175 12.080 34.102 1.00 19.80 C +ATOM 475 C GLY A 61 0.743 12.280 35.546 1.00 23.84 C +ATOM 476 O GLY A 61 1.054 13.294 36.161 1.00 23.75 O +ATOM 477 N ILE A 62 0.018 11.302 36.088 1.00 23.82 N +ATOM 478 CA ILE A 62 -0.435 11.347 37.479 1.00 23.08 C +ATOM 479 C ILE A 62 0.760 11.165 38.431 1.00 27.20 C +ATOM 480 O ILE A 62 0.953 11.929 39.381 1.00 28.68 O +ATOM 481 CB ILE A 62 -1.459 10.229 37.773 1.00 20.24 C +ATOM 482 CG1 ILE A 62 -2.727 10.448 36.955 1.00 20.06 C +ATOM 483 CG2 ILE A 62 -1.762 10.187 39.273 1.00 20.19 C +ATOM 484 CD1 ILE A 62 -3.817 9.455 37.250 1.00 22.07 C +ATOM 485 N GLN A 63 1.555 10.134 38.184 1.00 23.12 N +ATOM 486 CA GLN A 63 2.718 9.875 39.020 1.00 23.87 C +ATOM 487 C GLN A 63 3.757 10.998 38.910 1.00 25.18 C +ATOM 488 O GLN A 63 4.434 11.330 39.886 1.00 21.81 O +ATOM 489 CB GLN A 63 3.338 8.539 38.614 1.00 25.04 C +ATOM 490 CG GLN A 63 2.484 7.344 38.991 1.00 24.79 C +ATOM 491 CD GLN A 63 3.194 6.045 38.723 1.00 28.27 C +ATOM 492 OE1 GLN A 63 3.808 5.460 39.625 1.00 28.74 O +ATOM 493 NE2 GLN A 63 3.125 5.583 37.477 1.00 19.18 N +ATOM 494 N PHE A 64 3.894 11.579 37.717 1.00 23.61 N +ATOM 495 CA PHE A 64 4.844 12.668 37.516 1.00 21.43 C +ATOM 496 C PHE A 64 4.510 13.804 38.495 1.00 23.42 C +ATOM 497 O PHE A 64 5.370 14.306 39.237 1.00 22.71 O +ATOM 498 CB PHE A 64 4.755 13.187 36.078 1.00 19.60 C +ATOM 499 CG PHE A 64 5.725 14.300 35.783 1.00 19.37 C +ATOM 500 CD1 PHE A 64 5.403 15.623 36.074 1.00 20.12 C +ATOM 501 CD2 PHE A 64 6.973 14.023 35.242 1.00 20.61 C +ATOM 502 CE1 PHE A 64 6.316 16.647 35.838 1.00 23.96 C +ATOM 503 CE2 PHE A 64 7.893 15.038 35.001 1.00 24.20 C +ATOM 504 CZ PHE A 64 7.565 16.354 35.295 1.00 25.14 C +ATOM 505 N ILE A 65 3.243 14.203 38.487 1.00 23.98 N +ATOM 506 CA ILE A 65 2.779 15.266 39.360 1.00 23.67 C +ATOM 507 C ILE A 65 2.900 14.905 40.840 1.00 24.60 C +ATOM 508 O ILE A 65 3.424 15.694 41.626 1.00 21.40 O +ATOM 509 CB ILE A 65 1.313 15.636 39.036 1.00 20.88 C +ATOM 510 CG1 ILE A 65 1.246 16.252 37.637 1.00 14.84 C +ATOM 511 CG2 ILE A 65 0.753 16.609 40.117 1.00 19.02 C +ATOM 512 CD1 ILE A 65 -0.132 16.690 37.225 1.00 15.23 C +ATOM 513 N LYS A 66 2.422 13.715 41.204 1.00 23.64 N +ATOM 514 CA LYS A 66 2.451 13.269 42.591 1.00 23.84 C +ATOM 515 C LYS A 66 3.868 13.132 43.103 1.00 23.35 C +ATOM 516 O LYS A 66 4.115 13.349 44.281 1.00 25.28 O +ATOM 517 CB LYS A 66 1.736 11.924 42.753 1.00 25.34 C +ATOM 518 CG LYS A 66 0.258 11.951 42.434 1.00 24.07 C +ATOM 519 CD LYS A 66 -0.470 12.937 43.301 1.00 23.64 C +ATOM 520 CE LYS A 66 -1.881 13.176 42.770 1.00 27.62 C +ATOM 521 NZ LYS A 66 -2.819 12.110 43.198 1.00 23.00 N +ATOM 522 N HIS A 67 4.803 12.771 42.229 1.00 23.00 N +ATOM 523 CA HIS A 67 6.188 12.630 42.660 1.00 21.83 C +ATOM 524 C HIS A 67 6.844 13.986 42.944 1.00 22.33 C +ATOM 525 O HIS A 67 7.838 14.061 43.677 1.00 25.16 O +ATOM 526 CB HIS A 67 7.009 11.876 41.606 1.00 23.26 C +ATOM 527 CG HIS A 67 8.268 11.256 42.141 1.00 24.86 C +ATOM 528 ND1 HIS A 67 9.473 11.930 42.197 1.00 24.77 N +ATOM 529 CD2 HIS A 67 8.514 10.012 42.626 1.00 22.89 C +ATOM 530 CE1 HIS A 67 10.402 11.132 42.689 1.00 23.24 C +ATOM 531 NE2 HIS A 67 9.846 9.961 42.958 1.00 24.08 N +ATOM 532 N LEU A 68 6.296 15.054 42.371 1.00 19.55 N +ATOM 533 CA LEU A 68 6.858 16.382 42.582 1.00 20.74 C +ATOM 534 C LEU A 68 6.665 16.815 44.033 1.00 20.95 C +ATOM 535 O LEU A 68 7.507 17.507 44.608 1.00 23.57 O +ATOM 536 CB LEU A 68 6.184 17.403 41.657 1.00 21.13 C +ATOM 537 CG LEU A 68 6.433 17.348 40.146 1.00 24.02 C +ATOM 538 CD1 LEU A 68 5.566 18.403 39.468 1.00 27.31 C +ATOM 539 CD2 LEU A 68 7.911 17.587 39.823 1.00 25.15 C +ATOM 540 N LYS A 69 5.550 16.388 44.617 1.00 19.73 N +ATOM 541 CA LYS A 69 5.185 16.750 45.976 1.00 20.45 C +ATOM 542 C LYS A 69 6.089 16.188 47.044 1.00 21.54 C +ATOM 543 O LYS A 69 5.896 16.455 48.225 1.00 24.62 O +ATOM 544 CB LYS A 69 3.739 16.327 46.253 1.00 21.76 C +ATOM 545 CG LYS A 69 2.773 16.604 45.100 1.00 20.36 C +ATOM 546 CD LYS A 69 2.828 18.075 44.718 1.00 23.92 C +ATOM 547 CE LYS A 69 1.972 18.394 43.516 1.00 23.30 C +ATOM 548 NZ LYS A 69 2.307 19.741 42.987 1.00 22.07 N +ATOM 549 N ARG A 70 7.099 15.433 46.636 1.00 24.38 N +ATOM 550 CA ARG A 70 8.011 14.821 47.597 1.00 25.77 C +ATOM 551 C ARG A 70 9.220 15.671 47.967 1.00 27.15 C +ATOM 552 O ARG A 70 9.870 15.399 48.975 1.00 26.22 O +ATOM 553 CB ARG A 70 8.512 13.470 47.075 1.00 21.10 C +ATOM 554 CG ARG A 70 7.412 12.484 46.790 1.00 20.37 C +ATOM 555 CD ARG A 70 7.978 11.118 46.442 1.00 23.12 C +ATOM 556 NE ARG A 70 6.939 10.184 46.003 1.00 24.40 N +ATOM 557 CZ ARG A 70 7.158 8.907 45.714 1.00 23.08 C +ATOM 558 NH1 ARG A 70 8.378 8.405 45.816 1.00 29.74 N +ATOM 559 NH2 ARG A 70 6.165 8.138 45.313 1.00 17.31 N +ATOM 560 N GLU A 71 9.533 16.686 47.171 1.00 25.48 N +ATOM 561 CA GLU A 71 10.697 17.513 47.464 1.00 29.38 C +ATOM 562 C GLU A 71 10.356 18.994 47.595 1.00 29.05 C +ATOM 563 O GLU A 71 9.423 19.499 46.966 1.00 23.86 O +ATOM 564 CB GLU A 71 11.764 17.334 46.375 1.00 36.24 C +ATOM 565 CG GLU A 71 12.350 15.942 46.266 1.00 41.15 C +ATOM 566 CD GLU A 71 13.264 15.609 47.430 1.00 51.68 C +ATOM 567 OE1 GLU A 71 13.400 16.465 48.335 1.00 50.52 O +ATOM 568 OE2 GLU A 71 13.841 14.491 47.440 1.00 56.52 O +ATOM 569 N SER A 72 11.147 19.685 48.405 1.00 28.98 N +ATOM 570 CA SER A 72 10.968 21.112 48.663 1.00 30.84 C +ATOM 571 C SER A 72 10.958 21.991 47.420 1.00 28.46 C +ATOM 572 O SER A 72 10.084 22.851 47.271 1.00 25.99 O +ATOM 573 CB SER A 72 12.065 21.612 49.607 1.00 31.80 C +ATOM 574 OG SER A 72 11.550 22.572 50.514 1.00 45.65 O +ATOM 575 N MET A 73 11.931 21.767 46.540 1.00 27.83 N +ATOM 576 CA MET A 73 12.091 22.546 45.316 1.00 31.24 C +ATOM 577 C MET A 73 11.118 22.218 44.192 1.00 29.76 C +ATOM 578 O MET A 73 11.182 22.842 43.131 1.00 29.98 O +ATOM 579 CB MET A 73 13.520 22.399 44.777 1.00 34.41 C +ATOM 580 CG MET A 73 14.581 23.116 45.588 1.00 35.65 C +ATOM 581 SD MET A 73 14.060 24.789 45.970 1.00 56.38 S +ATOM 582 CE MET A 73 15.594 25.677 45.764 0.00 37.11 C +ATOM 583 N THR A 74 10.221 21.262 44.407 1.00 27.02 N +ATOM 584 CA THR A 74 9.277 20.913 43.354 1.00 27.65 C +ATOM 585 C THR A 74 7.811 20.871 43.787 1.00 26.48 C +ATOM 586 O THR A 74 6.905 20.974 42.944 1.00 25.58 O +ATOM 587 CB THR A 74 9.634 19.545 42.740 1.00 29.25 C +ATOM 588 OG1 THR A 74 9.931 18.623 43.796 1.00 31.97 O +ATOM 589 CG2 THR A 74 10.856 19.663 41.842 1.00 27.81 C +ATOM 590 N ARG A 75 7.566 20.733 45.086 1.00 23.67 N +ATOM 591 CA ARG A 75 6.194 20.636 45.551 1.00 25.35 C +ATOM 592 C ARG A 75 5.267 21.816 45.298 1.00 26.71 C +ATOM 593 O ARG A 75 4.053 21.631 45.267 1.00 29.65 O +ATOM 594 CB ARG A 75 6.145 20.246 47.034 1.00 29.92 C +ATOM 595 CG ARG A 75 6.963 21.075 47.999 1.00 30.96 C +ATOM 596 CD ARG A 75 6.966 20.338 49.322 1.00 38.72 C +ATOM 597 NE ARG A 75 7.682 21.008 50.408 1.00 47.02 N +ATOM 598 CZ ARG A 75 7.243 22.091 51.042 1.00 49.16 C +ATOM 599 NH1 ARG A 75 7.961 22.628 52.022 1.00 47.12 N +ATOM 600 NH2 ARG A 75 6.095 22.650 50.683 1.00 48.94 N +ATOM 601 N ASP A 76 5.804 23.021 45.117 1.00 29.15 N +ATOM 602 CA ASP A 76 4.943 24.180 44.865 1.00 26.33 C +ATOM 603 C ASP A 76 4.976 24.696 43.422 1.00 25.62 C +ATOM 604 O ASP A 76 4.458 25.771 43.109 1.00 24.30 O +ATOM 605 CB ASP A 76 5.279 25.301 45.845 1.00 28.16 C +ATOM 606 CG ASP A 76 4.879 24.959 47.266 1.00 28.50 C +ATOM 607 OD1 ASP A 76 5.518 25.462 48.211 1.00 34.33 O +ATOM 608 OD2 ASP A 76 3.920 24.178 47.441 1.00 31.06 O +ATOM 609 N ILE A 77 5.572 23.900 42.541 1.00 25.09 N +ATOM 610 CA ILE A 77 5.636 24.240 41.130 1.00 22.61 C +ATOM 611 C ILE A 77 4.269 23.919 40.545 1.00 21.18 C +ATOM 612 O ILE A 77 3.815 22.782 40.614 1.00 18.88 O +ATOM 613 CB ILE A 77 6.691 23.398 40.391 1.00 25.29 C +ATOM 614 CG1 ILE A 77 8.093 23.771 40.877 1.00 24.12 C +ATOM 615 CG2 ILE A 77 6.591 23.653 38.882 1.00 26.01 C +ATOM 616 CD1 ILE A 77 9.202 22.835 40.410 1.00 23.74 C +ATOM 617 N PRO A 78 3.575 24.925 39.996 1.00 22.73 N +ATOM 618 CA PRO A 78 2.256 24.623 39.425 1.00 22.54 C +ATOM 619 C PRO A 78 2.367 23.789 38.154 1.00 21.58 C +ATOM 620 O PRO A 78 3.296 23.974 37.360 1.00 22.11 O +ATOM 621 CB PRO A 78 1.644 25.999 39.152 1.00 20.64 C +ATOM 622 CG PRO A 78 2.815 26.931 39.031 1.00 24.80 C +ATOM 623 CD PRO A 78 3.915 26.360 39.908 1.00 24.95 C +ATOM 624 N VAL A 79 1.420 22.873 37.972 1.00 21.99 N +ATOM 625 CA VAL A 79 1.391 22.017 36.795 1.00 20.55 C +ATOM 626 C VAL A 79 0.028 22.156 36.111 1.00 22.63 C +ATOM 627 O VAL A 79 -1.026 22.027 36.742 1.00 23.34 O +ATOM 628 CB VAL A 79 1.623 20.501 37.140 1.00 21.35 C +ATOM 629 CG1 VAL A 79 1.658 19.670 35.848 1.00 19.42 C +ATOM 630 CG2 VAL A 79 2.933 20.311 37.905 1.00 17.85 C +ATOM 631 N VAL A 80 0.062 22.443 34.815 1.00 23.95 N +ATOM 632 CA VAL A 80 -1.153 22.555 34.023 1.00 24.48 C +ATOM 633 C VAL A 80 -1.143 21.359 33.074 1.00 22.62 C +ATOM 634 O VAL A 80 -0.205 21.182 32.297 1.00 23.45 O +ATOM 635 CB VAL A 80 -1.191 23.867 33.213 1.00 25.60 C +ATOM 636 CG1 VAL A 80 -2.387 23.859 32.243 1.00 22.09 C +ATOM 637 CG2 VAL A 80 -1.255 25.069 34.177 1.00 26.34 C +ATOM 638 N MET A 81 -2.175 20.528 33.163 1.00 20.49 N +ATOM 639 CA MET A 81 -2.284 19.346 32.327 1.00 20.61 C +ATOM 640 C MET A 81 -2.776 19.717 30.943 1.00 24.82 C +ATOM 641 O MET A 81 -3.799 20.391 30.802 1.00 25.35 O +ATOM 642 CB MET A 81 -3.262 18.355 32.957 1.00 22.21 C +ATOM 643 CG MET A 81 -3.213 16.945 32.376 1.00 24.19 C +ATOM 644 SD MET A 81 -1.726 16.055 32.863 1.00 32.49 S +ATOM 645 CE MET A 81 -2.232 15.377 34.434 1.00 14.29 C +ATOM 646 N LEU A 82 -2.041 19.276 29.923 1.00 25.20 N +ATOM 647 CA LEU A 82 -2.415 19.524 28.532 1.00 25.03 C +ATOM 648 C LEU A 82 -3.329 18.399 28.087 1.00 25.17 C +ATOM 649 O LEU A 82 -2.987 17.212 28.153 1.00 24.55 O +ATOM 650 CB LEU A 82 -1.180 19.583 27.634 1.00 28.54 C +ATOM 651 CG LEU A 82 -0.119 20.598 28.048 1.00 32.48 C +ATOM 652 CD1 LEU A 82 0.852 20.812 26.892 1.00 35.45 C +ATOM 653 CD2 LEU A 82 -0.777 21.919 28.429 1.00 34.74 C +ATOM 654 N THR A 83 -4.495 18.773 27.592 1.00 25.01 N +ATOM 655 CA THR A 83 -5.471 17.772 27.215 1.00 25.83 C +ATOM 656 C THR A 83 -6.096 17.984 25.829 1.00 28.30 C +ATOM 657 O THR A 83 -6.144 19.097 25.334 1.00 29.62 O +ATOM 658 CB THR A 83 -6.562 17.762 28.310 1.00 27.01 C +ATOM 659 OG1 THR A 83 -6.340 16.660 29.202 1.00 31.01 O +ATOM 660 CG2 THR A 83 -7.920 17.680 27.716 1.00 27.59 C +ATOM 661 N ALA A 84 -6.549 16.906 25.194 1.00 27.40 N +ATOM 662 CA ALA A 84 -7.209 17.014 23.899 1.00 28.62 C +ATOM 663 C ALA A 84 -8.611 17.498 24.238 1.00 26.92 C +ATOM 664 O ALA A 84 -9.172 17.097 25.242 1.00 29.64 O +ATOM 665 CB ALA A 84 -7.268 15.656 23.213 1.00 28.27 C +ATOM 666 N ARG A 85 -9.164 18.374 23.414 1.00 29.43 N +ATOM 667 CA ARG A 85 -10.493 18.919 23.660 1.00 33.54 C +ATOM 668 C ARG A 85 -11.539 17.824 23.658 1.00 34.19 C +ATOM 669 O ARG A 85 -11.435 16.856 22.899 1.00 34.19 O +ATOM 670 CB ARG A 85 -10.848 19.957 22.591 1.00 35.91 C +ATOM 671 CG ARG A 85 -11.367 21.267 23.142 1.00 42.69 C +ATOM 672 CD ARG A 85 -11.315 22.358 22.078 1.00 49.36 C +ATOM 673 NE ARG A 85 -9.992 22.976 21.964 1.00 52.00 N +ATOM 674 CZ ARG A 85 -9.576 23.998 22.709 1.00 54.83 C +ATOM 675 NH1 ARG A 85 -10.373 24.532 23.632 1.00 57.82 N +ATOM 676 NH2 ARG A 85 -8.361 24.491 22.527 1.00 52.49 N +ATOM 677 N GLY A 86 -12.538 17.974 24.520 1.00 34.81 N +ATOM 678 CA GLY A 86 -13.613 17.001 24.576 1.00 38.66 C +ATOM 679 C GLY A 86 -13.479 15.855 25.564 1.00 39.08 C +ATOM 680 O GLY A 86 -13.156 16.064 26.737 1.00 39.27 O +ATOM 681 N GLU A 87 -13.745 14.642 25.076 1.00 36.79 N +ATOM 682 CA GLU A 87 -13.697 13.424 25.877 1.00 34.43 C +ATOM 683 C GLU A 87 -12.514 13.341 26.836 1.00 32.59 C +ATOM 684 O GLU A 87 -12.711 13.270 28.046 1.00 36.18 O +ATOM 685 CB GLU A 87 -13.693 12.200 24.960 1.00 36.96 C +ATOM 686 CG GLU A 87 -14.077 10.899 25.640 1.00 40.49 C +ATOM 687 CD GLU A 87 -12.872 10.116 26.130 1.00 45.21 C +ATOM 688 OE1 GLU A 87 -11.730 10.456 25.746 1.00 44.30 O +ATOM 689 OE2 GLU A 87 -13.071 9.159 26.904 1.00 49.25 O +ATOM 690 N GLU A 88 -11.292 13.345 26.310 1.00 29.87 N +ATOM 691 CA GLU A 88 -10.108 13.239 27.157 1.00 27.84 C +ATOM 692 C GLU A 88 -10.136 14.274 28.263 1.00 31.59 C +ATOM 693 O GLU A 88 -9.853 13.976 29.424 1.00 29.05 O +ATOM 694 CB GLU A 88 -8.829 13.412 26.338 1.00 24.40 C +ATOM 695 CG GLU A 88 -7.565 13.338 27.180 1.00 25.46 C +ATOM 696 CD GLU A 88 -6.310 13.227 26.340 1.00 29.67 C +ATOM 697 OE1 GLU A 88 -6.059 12.129 25.801 1.00 30.74 O +ATOM 698 OE2 GLU A 88 -5.569 14.230 26.216 1.00 32.07 O +ATOM 699 N GLU A 89 -10.495 15.495 27.887 1.00 35.23 N +ATOM 700 CA GLU A 89 -10.570 16.614 28.812 1.00 35.83 C +ATOM 701 C GLU A 89 -11.512 16.343 29.968 1.00 35.38 C +ATOM 702 O GLU A 89 -11.102 16.384 31.123 1.00 33.97 O +ATOM 703 CB GLU A 89 -11.023 17.875 28.067 1.00 38.31 C +ATOM 704 CG GLU A 89 -11.134 19.101 28.946 1.00 37.77 C +ATOM 705 CD GLU A 89 -12.010 20.177 28.334 1.00 41.82 C +ATOM 706 OE1 GLU A 89 -12.305 21.158 29.043 1.00 48.46 O +ATOM 707 OE2 GLU A 89 -12.404 20.050 27.152 1.00 44.30 O +ATOM 708 N ASP A 90 -12.779 16.089 29.654 1.00 36.60 N +ATOM 709 CA ASP A 90 -13.773 15.823 30.693 1.00 38.98 C +ATOM 710 C ASP A 90 -13.314 14.637 31.529 1.00 35.96 C +ATOM 711 O ASP A 90 -13.461 14.620 32.745 1.00 38.24 O +ATOM 712 CB ASP A 90 -15.145 15.510 30.076 1.00 43.35 C +ATOM 713 CG ASP A 90 -15.646 16.609 29.143 1.00 47.48 C +ATOM 714 OD1 ASP A 90 -16.344 16.266 28.161 1.00 49.91 O +ATOM 715 OD2 ASP A 90 -15.351 17.804 29.384 1.00 48.22 O +ATOM 716 N ARG A 91 -12.747 13.645 30.856 1.00 32.36 N +ATOM 717 CA ARG A 91 -12.275 12.454 31.527 1.00 31.79 C +ATOM 718 C ARG A 91 -11.105 12.739 32.470 1.00 32.02 C +ATOM 719 O ARG A 91 -11.163 12.405 33.653 1.00 29.69 O +ATOM 720 CB ARG A 91 -11.878 11.402 30.491 1.00 36.36 C +ATOM 721 CG ARG A 91 -11.863 9.967 31.023 1.00 40.93 C +ATOM 722 CD ARG A 91 -11.465 8.961 29.938 1.00 41.47 C +ATOM 723 NE ARG A 91 -10.023 8.737 29.906 1.00 40.25 N +ATOM 724 CZ ARG A 91 -9.241 8.999 28.867 1.00 39.18 C +ATOM 725 NH1 ARG A 91 -9.756 9.504 27.755 1.00 34.85 N +ATOM 726 NH2 ARG A 91 -7.938 8.744 28.944 1.00 39.88 N +ATOM 727 N VAL A 92 -10.044 13.357 31.959 1.00 30.08 N +ATOM 728 CA VAL A 92 -8.867 13.621 32.789 1.00 32.32 C +ATOM 729 C VAL A 92 -9.161 14.553 33.971 1.00 33.12 C +ATOM 730 O VAL A 92 -8.536 14.458 35.037 1.00 29.77 O +ATOM 731 CB VAL A 92 -7.701 14.202 31.938 1.00 30.47 C +ATOM 732 CG1 VAL A 92 -6.536 14.570 32.835 1.00 29.42 C +ATOM 733 CG2 VAL A 92 -7.247 13.180 30.905 1.00 25.62 C +ATOM 734 N ARG A 93 -10.123 15.446 33.772 1.00 34.89 N +ATOM 735 CA ARG A 93 -10.533 16.384 34.809 1.00 37.86 C +ATOM 736 C ARG A 93 -11.087 15.576 35.989 1.00 35.32 C +ATOM 737 O ARG A 93 -10.936 15.966 37.140 1.00 30.72 O +ATOM 738 CB ARG A 93 -11.621 17.318 34.259 1.00 43.08 C +ATOM 739 CG ARG A 93 -11.574 18.769 34.728 1.00 46.06 C +ATOM 740 CD ARG A 93 -12.182 19.676 33.664 1.00 49.51 C +ATOM 741 NE ARG A 93 -13.485 19.191 33.199 1.00 56.78 N +ATOM 742 CZ ARG A 93 -14.152 19.709 32.169 1.00 57.93 C +ATOM 743 NH1 ARG A 93 -15.331 19.211 31.813 1.00 55.05 N +ATOM 744 NH2 ARG A 93 -13.637 20.730 31.492 1.00 59.06 N +ATOM 745 N GLY A 94 -11.721 14.445 35.679 1.00 34.49 N +ATOM 746 CA GLY A 94 -12.312 13.600 36.697 1.00 32.83 C +ATOM 747 C GLY A 94 -11.347 12.660 37.391 1.00 30.55 C +ATOM 748 O GLY A 94 -11.715 11.996 38.356 1.00 32.38 O +ATOM 749 N LEU A 95 -10.115 12.589 36.907 1.00 27.27 N +ATOM 750 CA LEU A 95 -9.122 11.713 37.510 1.00 24.84 C +ATOM 751 C LEU A 95 -8.445 12.401 38.688 1.00 28.37 C +ATOM 752 O LEU A 95 -8.560 13.618 38.848 1.00 29.48 O +ATOM 753 CB LEU A 95 -8.072 11.314 36.476 1.00 22.28 C +ATOM 754 CG LEU A 95 -8.640 10.509 35.304 1.00 24.97 C +ATOM 755 CD1 LEU A 95 -7.575 10.295 34.246 1.00 22.01 C +ATOM 756 CD2 LEU A 95 -9.150 9.174 35.813 1.00 26.94 C +ATOM 757 N GLU A 96 -7.753 11.621 39.518 1.00 26.51 N +ATOM 758 CA GLU A 96 -7.043 12.174 40.664 1.00 28.97 C +ATOM 759 C GLU A 96 -5.601 12.405 40.225 1.00 28.22 C +ATOM 760 O GLU A 96 -4.709 11.622 40.536 1.00 24.66 O +ATOM 761 CB GLU A 96 -7.113 11.209 41.851 1.00 33.93 C +ATOM 762 CG GLU A 96 -7.511 11.887 43.151 1.00 45.58 C +ATOM 763 CD GLU A 96 -6.595 13.057 43.479 1.00 52.04 C +ATOM 764 OE1 GLU A 96 -7.109 14.177 43.720 1.00 55.96 O +ATOM 765 OE2 GLU A 96 -5.360 12.849 43.485 1.00 49.97 O +ATOM 766 N THR A 97 -5.391 13.503 39.501 1.00 28.75 N +ATOM 767 CA THR A 97 -4.086 13.831 38.942 1.00 26.16 C +ATOM 768 C THR A 97 -3.227 14.810 39.724 1.00 23.80 C +ATOM 769 O THR A 97 -2.007 14.792 39.577 1.00 26.98 O +ATOM 770 CB THR A 97 -4.228 14.392 37.495 1.00 23.53 C +ATOM 771 OG1 THR A 97 -4.809 15.697 37.537 1.00 23.31 O +ATOM 772 CG2 THR A 97 -5.134 13.500 36.654 1.00 21.97 C +ATOM 773 N GLY A 98 -3.850 15.660 40.538 1.00 22.22 N +ATOM 774 CA GLY A 98 -3.098 16.653 41.287 1.00 21.96 C +ATOM 775 C GLY A 98 -2.757 17.904 40.475 1.00 24.26 C +ATOM 776 O GLY A 98 -2.078 18.793 40.965 1.00 23.61 O +ATOM 777 N ALA A 99 -3.227 17.968 39.230 1.00 24.02 N +ATOM 778 CA ALA A 99 -2.976 19.099 38.337 1.00 23.79 C +ATOM 779 C ALA A 99 -3.606 20.373 38.882 1.00 23.37 C +ATOM 780 O ALA A 99 -4.715 20.336 39.405 1.00 24.60 O +ATOM 781 CB ALA A 99 -3.544 18.807 36.965 1.00 23.56 C +ATOM 782 N ASP A 100 -2.909 21.499 38.738 1.00 23.47 N +ATOM 783 CA ASP A 100 -3.411 22.779 39.233 1.00 24.83 C +ATOM 784 C ASP A 100 -4.451 23.404 38.301 1.00 26.31 C +ATOM 785 O ASP A 100 -5.290 24.192 38.729 1.00 24.41 O +ATOM 786 CB ASP A 100 -2.245 23.724 39.451 1.00 21.30 C +ATOM 787 CG ASP A 100 -1.325 23.235 40.543 1.00 26.91 C +ATOM 788 OD1 ASP A 100 -1.762 23.211 41.708 1.00 29.35 O +ATOM 789 OD2 ASP A 100 -0.171 22.862 40.247 1.00 34.94 O +ATOM 790 N ASP A 101 -4.394 23.046 37.022 1.00 24.08 N +ATOM 791 CA ASP A 101 -5.354 23.542 36.045 1.00 24.49 C +ATOM 792 C ASP A 101 -5.200 22.720 34.780 1.00 25.50 C +ATOM 793 O ASP A 101 -4.364 21.822 34.738 1.00 23.30 O +ATOM 794 CB ASP A 101 -5.123 25.018 35.752 1.00 24.20 C +ATOM 795 CG ASP A 101 -6.325 25.677 35.095 1.00 30.18 C +ATOM 796 OD1 ASP A 101 -7.373 25.017 34.937 1.00 28.30 O +ATOM 797 OD2 ASP A 101 -6.218 26.864 34.729 1.00 38.09 O +ATOM 798 N TYR A 102 -5.991 23.033 33.754 1.00 30.01 N +ATOM 799 CA TYR A 102 -5.965 22.301 32.488 1.00 28.98 C +ATOM 800 C TYR A 102 -6.068 23.224 31.280 1.00 29.21 C +ATOM 801 O TYR A 102 -6.647 24.303 31.380 1.00 29.94 O +ATOM 802 CB TYR A 102 -7.134 21.307 32.440 1.00 27.99 C +ATOM 803 CG TYR A 102 -7.363 20.559 33.732 1.00 32.75 C +ATOM 804 CD1 TYR A 102 -6.836 19.283 33.922 1.00 36.78 C +ATOM 805 CD2 TYR A 102 -8.085 21.134 34.775 1.00 32.86 C +ATOM 806 CE1 TYR A 102 -7.022 18.595 35.121 1.00 40.75 C +ATOM 807 CE2 TYR A 102 -8.281 20.460 35.981 1.00 36.41 C +ATOM 808 CZ TYR A 102 -7.745 19.187 36.148 1.00 41.37 C +ATOM 809 OH TYR A 102 -7.938 18.497 37.329 1.00 43.25 O +ATOM 810 N ILE A 103 -5.509 22.781 30.152 1.00 29.23 N +ATOM 811 CA ILE A 103 -5.554 23.508 28.872 1.00 31.55 C +ATOM 812 C ILE A 103 -5.826 22.479 27.749 1.00 31.21 C +ATOM 813 O ILE A 103 -5.209 21.407 27.715 1.00 32.49 O +ATOM 814 CB ILE A 103 -4.219 24.241 28.579 1.00 32.54 C +ATOM 815 CG1 ILE A 103 -4.320 25.711 28.950 1.00 39.07 C +ATOM 816 CG2 ILE A 103 -3.896 24.209 27.110 1.00 37.28 C +ATOM 817 CD1 ILE A 103 -3.167 26.159 29.799 1.00 45.36 C +ATOM 818 N THR A 104 -6.752 22.785 26.844 1.00 25.35 N +ATOM 819 CA THR A 104 -7.061 21.836 25.776 1.00 25.14 C +ATOM 820 C THR A 104 -6.348 22.139 24.470 1.00 26.68 C +ATOM 821 O THR A 104 -6.074 23.303 24.172 1.00 24.59 O +ATOM 822 CB THR A 104 -8.574 21.773 25.475 1.00 27.93 C +ATOM 823 OG1 THR A 104 -9.105 23.098 25.351 1.00 31.79 O +ATOM 824 CG2 THR A 104 -9.300 21.032 26.576 1.00 25.87 C +ATOM 825 N LYS A 105 -6.038 21.087 23.715 1.00 23.70 N +ATOM 826 CA LYS A 105 -5.377 21.204 22.421 1.00 26.61 C +ATOM 827 C LYS A 105 -6.395 20.830 21.351 1.00 25.50 C +ATOM 828 O LYS A 105 -7.318 20.057 21.613 1.00 25.32 O +ATOM 829 CB LYS A 105 -4.174 20.256 22.332 1.00 28.17 C +ATOM 830 CG LYS A 105 -3.714 19.684 23.656 1.00 33.30 C +ATOM 831 CD LYS A 105 -2.314 19.095 23.531 1.00 32.57 C +ATOM 832 CE LYS A 105 -2.337 17.610 23.227 1.00 29.57 C +ATOM 833 NZ LYS A 105 -0.965 17.036 23.047 1.00 30.92 N +ATOM 834 N PRO A 106 -6.287 21.408 20.144 1.00 27.28 N +ATOM 835 CA PRO A 106 -5.310 22.391 19.650 1.00 24.97 C +ATOM 836 C PRO A 106 -5.461 23.655 20.492 1.00 24.98 C +ATOM 837 O PRO A 106 -6.561 24.173 20.669 1.00 21.31 O +ATOM 838 CB PRO A 106 -5.723 22.615 18.210 1.00 25.83 C +ATOM 839 CG PRO A 106 -7.158 22.167 18.148 1.00 26.51 C +ATOM 840 CD PRO A 106 -7.288 21.059 19.120 1.00 26.78 C +ATOM 841 N PHE A 107 -4.353 24.160 21.012 1.00 27.33 N +ATOM 842 CA PHE A 107 -4.434 25.289 21.927 1.00 30.84 C +ATOM 843 C PHE A 107 -4.686 26.677 21.386 1.00 27.91 C +ATOM 844 O PHE A 107 -4.413 27.007 20.223 1.00 24.44 O +ATOM 845 CB PHE A 107 -3.208 25.303 22.863 1.00 33.60 C +ATOM 846 CG PHE A 107 -1.999 25.948 22.268 1.00 41.08 C +ATOM 847 CD1 PHE A 107 -1.228 25.274 21.331 1.00 45.13 C +ATOM 848 CD2 PHE A 107 -1.642 27.247 22.613 1.00 46.69 C +ATOM 849 CE1 PHE A 107 -0.117 25.881 20.738 1.00 48.06 C +ATOM 850 CE2 PHE A 107 -0.530 27.868 22.026 1.00 49.19 C +ATOM 851 CZ PHE A 107 0.234 27.179 21.082 1.00 48.15 C +ATOM 852 N SER A 108 -5.245 27.482 22.277 1.00 24.49 N +ATOM 853 CA SER A 108 -5.562 28.862 22.009 1.00 23.73 C +ATOM 854 C SER A 108 -4.467 29.683 22.648 1.00 20.51 C +ATOM 855 O SER A 108 -4.223 29.554 23.845 1.00 19.71 O +ATOM 856 CB SER A 108 -6.899 29.238 22.659 1.00 18.45 C +ATOM 857 OG SER A 108 -6.924 30.618 22.991 1.00 19.18 O +ATOM 858 N PRO A 109 -3.746 30.489 21.850 1.00 20.64 N +ATOM 859 CA PRO A 109 -2.683 31.326 22.402 1.00 19.34 C +ATOM 860 C PRO A 109 -3.204 32.190 23.562 1.00 19.13 C +ATOM 861 O PRO A 109 -2.520 32.358 24.569 1.00 20.10 O +ATOM 862 CB PRO A 109 -2.240 32.154 21.205 1.00 21.02 C +ATOM 863 CG PRO A 109 -2.510 31.231 20.035 1.00 16.41 C +ATOM 864 CD PRO A 109 -3.825 30.613 20.383 1.00 20.07 C +ATOM 865 N LYS A 110 -4.405 32.737 23.423 1.00 17.60 N +ATOM 866 CA LYS A 110 -4.972 33.560 24.489 1.00 19.29 C +ATOM 867 C LYS A 110 -5.226 32.757 25.784 1.00 24.33 C +ATOM 868 O LYS A 110 -4.953 33.232 26.896 1.00 22.23 O +ATOM 869 CB LYS A 110 -6.278 34.198 24.012 1.00 16.98 C +ATOM 870 CG LYS A 110 -7.023 34.988 25.079 1.00 19.16 C +ATOM 871 CD LYS A 110 -8.356 35.492 24.562 1.00 17.85 C +ATOM 872 CE LYS A 110 -9.081 36.283 25.648 1.00 22.58 C +ATOM 873 NZ LYS A 110 -10.376 36.816 25.164 1.00 21.62 N +ATOM 874 N GLU A 111 -5.770 31.548 25.648 1.00 25.55 N +ATOM 875 CA GLU A 111 -6.044 30.719 26.818 1.00 23.60 C +ATOM 876 C GLU A 111 -4.743 30.259 27.492 1.00 22.89 C +ATOM 877 O GLU A 111 -4.655 30.172 28.716 1.00 23.89 O +ATOM 878 CB GLU A 111 -6.879 29.504 26.413 1.00 28.91 C +ATOM 879 CG GLU A 111 -7.225 28.593 27.597 1.00 35.94 C +ATOM 880 CD GLU A 111 -8.201 27.483 27.237 1.00 39.54 C +ATOM 881 OE1 GLU A 111 -8.926 27.007 28.143 1.00 41.66 O +ATOM 882 OE2 GLU A 111 -8.242 27.089 26.049 1.00 43.51 O +ATOM 883 N LEU A 112 -3.729 29.972 26.686 1.00 24.08 N +ATOM 884 CA LEU A 112 -2.434 29.524 27.194 1.00 22.28 C +ATOM 885 C LEU A 112 -1.795 30.558 28.116 1.00 21.98 C +ATOM 886 O LEU A 112 -1.347 30.238 29.220 1.00 19.97 O +ATOM 887 CB LEU A 112 -1.505 29.226 26.012 1.00 27.16 C +ATOM 888 CG LEU A 112 -0.098 28.701 26.298 1.00 28.20 C +ATOM 889 CD1 LEU A 112 -0.163 27.363 27.021 1.00 26.70 C +ATOM 890 CD2 LEU A 112 0.637 28.560 24.991 1.00 24.04 C +ATOM 891 N VAL A 113 -1.769 31.807 27.654 1.00 23.33 N +ATOM 892 CA VAL A 113 -1.196 32.921 28.410 1.00 19.69 C +ATOM 893 C VAL A 113 -2.077 33.298 29.613 1.00 20.14 C +ATOM 894 O VAL A 113 -1.575 33.550 30.705 1.00 21.51 O +ATOM 895 CB VAL A 113 -0.969 34.129 27.469 1.00 19.32 C +ATOM 896 CG1 VAL A 113 -0.705 35.386 28.257 1.00 14.64 C +ATOM 897 CG2 VAL A 113 0.202 33.825 26.537 1.00 20.45 C +ATOM 898 N ALA A 114 -3.392 33.316 29.427 1.00 18.86 N +ATOM 899 CA ALA A 114 -4.305 33.626 30.529 1.00 17.80 C +ATOM 900 C ALA A 114 -4.149 32.657 31.712 1.00 18.40 C +ATOM 901 O ALA A 114 -4.005 33.058 32.873 1.00 20.63 O +ATOM 902 CB ALA A 114 -5.749 33.579 30.020 1.00 15.88 C +ATOM 903 N ARG A 115 -4.184 31.367 31.403 1.00 21.41 N +ATOM 904 CA ARG A 115 -4.094 30.338 32.430 1.00 24.89 C +ATOM 905 C ARG A 115 -2.750 30.281 33.119 1.00 21.72 C +ATOM 906 O ARG A 115 -2.678 30.028 34.323 1.00 19.56 O +ATOM 907 CB ARG A 115 -4.470 28.981 31.839 1.00 28.68 C +ATOM 908 CG ARG A 115 -5.944 28.698 32.026 1.00 34.62 C +ATOM 909 CD ARG A 115 -6.389 27.551 31.181 1.00 46.94 C +ATOM 910 NE ARG A 115 -7.714 27.779 30.621 1.00 55.38 N +ATOM 911 CZ ARG A 115 -8.837 27.332 31.171 1.00 64.41 C +ATOM 912 NH1 ARG A 115 -10.003 27.583 30.591 1.00 70.63 N +ATOM 913 NH2 ARG A 115 -8.797 26.641 32.308 1.00 70.29 N +ATOM 914 N ILE A 116 -1.686 30.524 32.361 1.00 21.82 N +ATOM 915 CA ILE A 116 -0.348 30.546 32.946 1.00 25.66 C +ATOM 916 C ILE A 116 -0.267 31.771 33.866 1.00 28.49 C +ATOM 917 O ILE A 116 0.233 31.687 34.991 1.00 32.02 O +ATOM 918 CB ILE A 116 0.757 30.675 31.879 1.00 26.02 C +ATOM 919 CG1 ILE A 116 0.939 29.350 31.131 1.00 25.11 C +ATOM 920 CG2 ILE A 116 2.072 31.094 32.545 1.00 23.05 C +ATOM 921 CD1 ILE A 116 1.998 29.409 30.044 1.00 22.89 C +ATOM 922 N LYS A 117 -0.763 32.909 33.391 1.00 26.82 N +ATOM 923 CA LYS A 117 -0.744 34.118 34.205 1.00 24.00 C +ATOM 924 C LYS A 117 -1.546 33.900 35.486 1.00 24.04 C +ATOM 925 O LYS A 117 -1.059 34.172 36.584 1.00 23.57 O +ATOM 926 CB LYS A 117 -1.352 35.289 33.429 1.00 27.98 C +ATOM 927 CG LYS A 117 -0.363 36.068 32.553 1.00 19.96 C +ATOM 928 CD LYS A 117 -1.087 37.027 31.626 1.00 16.57 C +ATOM 929 CE LYS A 117 -0.158 38.150 31.197 1.00 20.05 C +ATOM 930 NZ LYS A 117 -0.872 39.230 30.464 1.00 21.79 N +ATOM 931 N ALA A 118 -2.774 33.403 35.344 1.00 24.43 N +ATOM 932 CA ALA A 118 -3.643 33.166 36.501 1.00 24.11 C +ATOM 933 C ALA A 118 -3.133 32.100 37.466 1.00 26.57 C +ATOM 934 O ALA A 118 -3.261 32.255 38.681 1.00 27.45 O +ATOM 935 CB ALA A 118 -5.054 32.814 36.033 1.00 22.79 C +ATOM 936 N VAL A 119 -2.547 31.028 36.933 1.00 29.12 N +ATOM 937 CA VAL A 119 -2.039 29.934 37.763 1.00 29.41 C +ATOM 938 C VAL A 119 -0.841 30.357 38.580 1.00 29.96 C +ATOM 939 O VAL A 119 -0.685 29.953 39.732 1.00 29.92 O +ATOM 940 CB VAL A 119 -1.630 28.731 36.917 1.00 29.28 C +ATOM 941 CG1 VAL A 119 -0.886 27.736 37.781 1.00 33.10 C +ATOM 942 CG2 VAL A 119 -2.858 28.090 36.300 1.00 31.83 C +ATOM 943 N MET A 120 0.009 31.180 37.983 1.00 29.59 N +ATOM 944 CA MET A 120 1.180 31.637 38.688 1.00 30.18 C +ATOM 945 C MET A 120 0.780 32.635 39.774 1.00 33.91 C +ATOM 946 O MET A 120 1.323 32.602 40.880 1.00 32.31 O +ATOM 947 CB MET A 120 2.165 32.218 37.687 1.00 29.63 C +ATOM 948 CG MET A 120 2.429 31.250 36.557 1.00 31.69 C +ATOM 949 SD MET A 120 4.028 31.363 35.819 1.00 40.78 S +ATOM 950 CE MET A 120 5.037 31.463 37.274 1.00 35.90 C +ATOM 951 N ARG A 121 -0.193 33.492 39.471 1.00 34.54 N +ATOM 952 CA ARG A 121 -0.694 34.472 40.431 1.00 36.26 C +ATOM 953 C ARG A 121 -1.174 33.770 41.697 1.00 38.93 C +ATOM 954 O ARG A 121 -0.985 34.254 42.809 1.00 43.53 O +ATOM 955 CB ARG A 121 -1.866 35.229 39.834 1.00 36.57 C +ATOM 956 CG ARG A 121 -1.473 36.502 39.165 1.00 40.18 C +ATOM 957 CD ARG A 121 -2.150 37.681 39.801 1.00 41.57 C +ATOM 958 NE ARG A 121 -1.705 38.917 39.175 1.00 45.23 N +ATOM 959 CZ ARG A 121 -2.521 39.900 38.830 1.00 46.79 C +ATOM 960 NH1 ARG A 121 -3.823 39.780 39.056 1.00 48.09 N +ATOM 961 NH2 ARG A 121 -2.041 40.985 38.244 1.00 50.05 N +ATOM 962 N ARG A 122 -1.819 32.630 41.506 1.00 40.03 N +ATOM 963 CA ARG A 122 -2.341 31.828 42.596 1.00 44.00 C +ATOM 964 C ARG A 122 -1.197 31.086 43.284 1.00 50.34 C +ATOM 965 O ARG A 122 -0.664 31.536 44.303 1.00 54.36 O +ATOM 966 CB ARG A 122 -3.338 30.817 42.038 1.00 42.51 C +ATOM 967 CG ARG A 122 -4.623 30.706 42.819 1.00 44.95 C +ATOM 968 CD ARG A 122 -5.813 30.624 41.883 0.00 40.72 C +ATOM 969 NE ARG A 122 -7.082 30.548 42.601 0.00 39.90 N +ATOM 970 CZ ARG A 122 -8.088 29.751 42.256 0.00 38.74 C +ATOM 971 NH1 ARG A 122 -7.977 28.955 41.200 0.00 38.44 N +ATOM 972 NH2 ARG A 122 -9.207 29.750 42.966 0.00 38.44 N +ATOM 973 N ILE A 123 -0.827 29.948 42.701 1.00 52.53 N +ATOM 974 CA ILE A 123 0.247 29.097 43.199 1.00 49.55 C +ATOM 975 C ILE A 123 1.580 29.854 43.224 1.00 51.59 C +ATOM 976 O ILE A 123 2.639 29.190 43.216 0.00 52.90 O +ATOM 977 CB ILE A 123 0.387 27.822 42.306 1.00 46.80 C +ATOM 978 CG1 ILE A 123 -0.985 27.205 42.020 1.00 44.14 C +ATOM 979 CG2 ILE A 123 1.226 26.775 43.008 1.00 44.93 C +ATOM 980 CD1 ILE A 123 -1.839 27.960 41.028 0.00 45.18 C +TER 981 ILE A 123 +END diff --git a/bench/main_benchmark/structures/SFB_AL_PHOB_1B00A_1ZESA/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_PHOB_1B00A_1ZESA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f18d28f3bf3dc8630fcec3fc8ee09b8772a4725f --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_PHOB_1B00A_1ZESA/state_b.pdb @@ -0,0 +1,955 @@ +ATOM 1 N ARG A 3 -3.907 20.715 15.623 1.00 24.08 N +ATOM 2 CA ARG A 3 -3.818 20.492 17.107 1.00 22.92 C +ATOM 3 C ARG A 3 -2.387 20.646 17.618 1.00 22.83 C +ATOM 4 O ARG A 3 -1.446 20.063 17.052 1.00 22.38 O +ATOM 5 CB ARG A 3 -4.374 19.107 17.464 1.00 23.89 C +ATOM 6 N ARG A 4 -2.208 21.436 18.684 1.00 21.52 N +ATOM 7 CA ARG A 4 -0.849 21.729 19.189 1.00 20.71 C +ATOM 8 C ARG A 4 -0.469 20.729 20.254 1.00 19.70 C +ATOM 9 O ARG A 4 -1.272 20.427 21.144 1.00 20.50 O +ATOM 10 CB ARG A 4 -0.767 23.152 19.737 1.00 20.88 C +ATOM 11 N ILE A 5 0.750 20.217 20.175 1.00 18.64 N +ATOM 12 CA ILE A 5 1.235 19.249 21.160 1.00 17.42 C +ATOM 13 C ILE A 5 2.534 19.750 21.829 1.00 17.49 C +ATOM 14 O ILE A 5 3.523 20.036 21.152 1.00 17.84 O +ATOM 15 CB ILE A 5 1.385 17.802 20.568 1.00 17.71 C +ATOM 16 CG1 ILE A 5 -0.007 17.194 20.204 1.00 17.72 C +ATOM 17 CG2 ILE A 5 1.970 16.835 21.601 1.00 14.60 C +ATOM 18 CD1 ILE A 5 0.094 15.893 19.456 1.00 19.54 C +ATOM 19 N LEU A 6 2.509 19.887 23.159 1.00 16.19 N +ATOM 20 CA LEU A 6 3.730 20.223 23.912 1.00 15.43 C +ATOM 21 C LEU A 6 4.527 18.965 24.146 1.00 15.67 C +ATOM 22 O LEU A 6 4.099 18.075 24.882 1.00 15.55 O +ATOM 23 CB LEU A 6 3.387 20.941 25.257 1.00 15.68 C +ATOM 24 CG LEU A 6 4.544 21.407 26.171 1.00 16.05 C +ATOM 25 CD1 LEU A 6 5.412 22.413 25.430 1.00 17.10 C +ATOM 26 CD2 LEU A 6 3.936 22.042 27.372 1.00 14.82 C +ATOM 27 N VAL A 7 5.680 18.876 23.493 1.00 15.68 N +ATOM 28 CA VAL A 7 6.518 17.693 23.623 1.00 16.58 C +ATOM 29 C VAL A 7 7.622 17.913 24.710 1.00 15.74 C +ATOM 30 O VAL A 7 8.524 18.722 24.523 1.00 17.41 O +ATOM 31 CB VAL A 7 7.075 17.289 22.238 1.00 15.11 C +ATOM 32 CG1 VAL A 7 8.086 16.186 22.341 1.00 16.89 C +ATOM 33 CG2 VAL A 7 5.937 16.851 21.318 1.00 14.72 C +ATOM 34 N VAL A 8 7.509 17.227 25.859 1.00 15.89 N +ATOM 35 CA VAL A 8 8.447 17.455 26.993 1.00 13.94 C +ATOM 36 C VAL A 8 9.373 16.269 27.100 1.00 15.01 C +ATOM 37 O VAL A 8 8.936 15.171 27.454 1.00 14.81 O +ATOM 38 CB VAL A 8 7.723 17.701 28.359 1.00 13.70 C +ATOM 39 CG1 VAL A 8 8.741 18.157 29.457 1.00 11.38 C +ATOM 40 CG2 VAL A 8 6.525 18.716 28.208 1.00 11.95 C +ATOM 41 N GLU A 9 10.643 16.479 26.767 1.00 15.56 N +ATOM 42 CA GLU A 9 11.585 15.359 26.656 1.00 15.81 C +ATOM 43 C GLU A 9 12.976 15.942 26.655 1.00 17.00 C +ATOM 44 O GLU A 9 13.246 16.854 25.869 1.00 17.79 O +ATOM 45 CB GLU A 9 11.333 14.634 25.318 1.00 16.52 C +ATOM 46 CG GLU A 9 12.432 13.698 24.875 1.00 15.38 C +ATOM 47 CD GLU A 9 12.669 12.588 25.858 1.00 19.31 C +ATOM 48 OE1 GLU A 9 11.706 11.839 26.170 1.00 19.02 O +ATOM 49 OE2 GLU A 9 13.822 12.471 26.317 1.00 18.92 O +ATOM 50 N ASP A 10 13.858 15.436 27.512 1.00 16.85 N +ATOM 51 CA ASP A 10 15.202 16.046 27.623 1.00 18.34 C +ATOM 52 C ASP A 10 16.267 15.497 26.706 1.00 18.44 C +ATOM 53 O ASP A 10 17.323 16.111 26.547 1.00 20.58 O +ATOM 54 CB ASP A 10 15.700 16.001 29.059 1.00 17.84 C +ATOM 55 CG ASP A 10 15.777 14.598 29.623 1.00 19.80 C +ATOM 56 OD1 ASP A 10 14.847 13.796 29.438 1.00 15.03 O +ATOM 57 OD2 ASP A 10 16.779 14.312 30.312 1.00 21.82 O +ATOM 58 N GLU A 11 16.040 14.325 26.122 1.00 18.80 N +ATOM 59 CA GLU A 11 17.006 13.809 25.161 1.00 18.53 C +ATOM 60 C GLU A 11 16.660 14.418 23.821 1.00 19.20 C +ATOM 61 O GLU A 11 15.672 14.041 23.196 1.00 18.40 O +ATOM 62 CB GLU A 11 16.946 12.301 25.121 1.00 18.97 C +ATOM 63 CG GLU A 11 17.435 11.690 26.426 0.50 19.13 C +ATOM 64 CD GLU A 11 17.381 10.182 26.428 0.50 19.42 C +ATOM 65 OE1 GLU A 11 17.895 9.577 25.470 0.50 20.53 O +ATOM 66 OE2 GLU A 11 16.811 9.610 27.383 0.50 20.55 O +ATOM 67 N ALA A 12 17.461 15.397 23.411 1.00 18.96 N +ATOM 68 CA ALA A 12 17.142 16.205 22.233 1.00 19.88 C +ATOM 69 C ALA A 12 16.950 15.395 20.940 1.00 18.49 C +ATOM 70 O ALA A 12 15.997 15.666 20.206 1.00 19.55 O +ATOM 71 CB ALA A 12 18.172 17.358 22.051 1.00 19.77 C +ATOM 72 N PRO A 13 17.838 14.426 20.631 1.00 17.90 N +ATOM 73 CA PRO A 13 17.526 13.636 19.429 1.00 16.85 C +ATOM 74 C PRO A 13 16.214 12.817 19.450 1.00 17.26 C +ATOM 75 O PRO A 13 15.581 12.674 18.409 1.00 16.65 O +ATOM 76 CB PRO A 13 18.739 12.693 19.286 1.00 18.30 C +ATOM 77 CG PRO A 13 19.893 13.433 20.042 1.00 16.33 C +ATOM 78 CD PRO A 13 19.154 14.041 21.210 1.00 17.54 C +ATOM 79 N ILE A 14 15.847 12.246 20.595 1.00 16.94 N +ATOM 80 CA ILE A 14 14.541 11.607 20.771 1.00 16.53 C +ATOM 81 C ILE A 14 13.388 12.633 20.652 1.00 16.18 C +ATOM 82 O ILE A 14 12.413 12.384 19.979 1.00 16.54 O +ATOM 83 CB ILE A 14 14.484 10.872 22.125 1.00 16.61 C +ATOM 84 CG1 ILE A 14 15.630 9.821 22.177 1.00 17.36 C +ATOM 85 CG2 ILE A 14 13.072 10.243 22.354 1.00 17.37 C +ATOM 86 CD1 ILE A 14 15.540 8.739 21.089 1.00 19.59 C +ATOM 87 N ARG A 15 13.506 13.769 21.327 1.00 15.48 N +ATOM 88 CA ARG A 15 12.517 14.836 21.199 1.00 15.27 C +ATOM 89 C ARG A 15 12.260 15.223 19.731 1.00 16.24 C +ATOM 90 O ARG A 15 11.095 15.383 19.307 1.00 16.81 O +ATOM 91 CB ARG A 15 12.925 16.072 22.054 1.00 15.80 C +ATOM 92 CG ARG A 15 11.847 17.227 22.049 1.00 15.81 C +ATOM 93 CD ARG A 15 12.232 18.424 22.940 1.00 15.01 C +ATOM 94 NE ARG A 15 13.420 19.125 22.421 1.00 17.80 N +ATOM 95 CZ ARG A 15 14.636 19.113 22.967 1.00 17.91 C +ATOM 96 NH1 ARG A 15 14.889 18.444 24.084 1.00 18.52 N +ATOM 97 NH2 ARG A 15 15.629 19.781 22.372 1.00 20.32 N +ATOM 98 N GLU A 16 13.326 15.405 18.963 1.00 16.10 N +ATOM 99 CA GLU A 16 13.217 15.836 17.572 1.00 17.02 C +ATOM 100 C GLU A 16 12.542 14.763 16.714 1.00 16.58 C +ATOM 101 O GLU A 16 11.711 15.075 15.853 1.00 16.13 O +ATOM 102 CB GLU A 16 14.618 16.153 17.035 1.00 17.19 C +ATOM 103 CG GLU A 16 15.152 17.466 17.594 1.00 21.59 C +ATOM 104 CD GLU A 16 16.678 17.545 17.638 1.00 27.35 C +ATOM 105 OE1 GLU A 16 17.355 16.686 17.028 1.00 29.64 O +ATOM 106 OE2 GLU A 16 17.188 18.467 18.312 1.00 29.07 O +ATOM 107 N MET A 17 12.891 13.507 16.965 1.00 16.79 N +ATOM 108 CA MET A 17 12.273 12.355 16.278 1.00 16.95 C +ATOM 109 C MET A 17 10.786 12.340 16.562 1.00 16.56 C +ATOM 110 O MET A 17 9.986 12.179 15.642 1.00 16.08 O +ATOM 111 CB MET A 17 12.888 11.056 16.791 1.00 17.03 C +ATOM 112 CG MET A 17 12.408 9.766 16.122 1.00 18.11 C +ATOM 113 SD MET A 17 13.027 8.285 16.960 1.00 18.46 S +ATOM 114 CE MET A 17 11.741 8.105 18.196 1.00 18.07 C +ATOM 115 N VAL A 18 10.432 12.467 17.840 1.00 16.66 N +ATOM 116 CA VAL A 18 9.030 12.518 18.252 1.00 16.46 C +ATOM 117 C VAL A 18 8.282 13.669 17.579 1.00 17.33 C +ATOM 118 O VAL A 18 7.152 13.480 17.096 1.00 16.60 O +ATOM 119 CB VAL A 18 8.852 12.595 19.790 1.00 16.12 C +ATOM 120 CG1 VAL A 18 7.415 12.952 20.151 1.00 16.68 C +ATOM 121 CG2 VAL A 18 9.226 11.252 20.443 1.00 15.74 C +ATOM 122 N CYS A 19 8.891 14.855 17.552 1.00 16.64 N +ATOM 123 CA CYS A 19 8.269 15.998 16.854 1.00 17.97 C +ATOM 124 C CYS A 19 8.062 15.723 15.374 1.00 17.53 C +ATOM 125 O CYS A 19 7.067 16.159 14.805 1.00 18.28 O +ATOM 126 CB CYS A 19 9.100 17.276 17.015 1.00 17.77 C +ATOM 127 SG CYS A 19 9.083 17.975 18.670 1.00 22.94 S +ATOM 128 N PHE A 20 8.995 15.017 14.745 1.00 18.09 N +ATOM 129 CA PHE A 20 8.824 14.610 13.342 1.00 18.01 C +ATOM 130 C PHE A 20 7.624 13.687 13.122 1.00 17.28 C +ATOM 131 O PHE A 20 6.776 13.942 12.260 1.00 17.25 O +ATOM 132 CB PHE A 20 10.109 14.019 12.762 1.00 18.60 C +ATOM 133 CG PHE A 20 9.941 13.407 11.385 1.00 20.42 C +ATOM 134 CD1 PHE A 20 9.886 14.214 10.236 1.00 21.34 C +ATOM 135 CD2 PHE A 20 9.825 12.027 11.238 1.00 20.09 C +ATOM 136 CE1 PHE A 20 9.732 13.639 8.973 1.00 20.45 C +ATOM 137 CE2 PHE A 20 9.646 11.452 9.984 1.00 21.14 C +ATOM 138 CZ PHE A 20 9.608 12.253 8.845 1.00 19.77 C +ATOM 139 N VAL A 21 7.557 12.600 13.876 1.00 16.69 N +ATOM 140 CA VAL A 21 6.365 11.749 13.839 1.00 16.52 C +ATOM 141 C VAL A 21 5.059 12.552 14.002 1.00 17.27 C +ATOM 142 O VAL A 21 4.112 12.388 13.234 1.00 18.91 O +ATOM 143 CB VAL A 21 6.422 10.616 14.904 1.00 16.13 C +ATOM 144 CG1 VAL A 21 5.117 9.837 14.888 1.00 18.44 C +ATOM 145 CG2 VAL A 21 7.620 9.647 14.653 1.00 16.70 C +ATOM 146 N LEU A 22 4.996 13.392 15.015 1.00 17.90 N +ATOM 147 CA LEU A 22 3.800 14.210 15.237 1.00 18.46 C +ATOM 148 C LEU A 22 3.507 15.161 14.072 1.00 19.98 C +ATOM 149 O LEU A 22 2.350 15.197 13.611 1.00 20.89 O +ATOM 150 CB LEU A 22 3.862 14.962 16.569 1.00 18.09 C +ATOM 151 CG LEU A 22 4.031 14.115 17.861 1.00 16.16 C +ATOM 152 CD1 LEU A 22 4.156 15.040 19.060 1.00 15.30 C +ATOM 153 CD2 LEU A 22 2.871 13.195 18.046 1.00 14.26 C +ATOM 154 N GLU A 23 4.523 15.886 13.579 1.00 19.97 N +ATOM 155 CA GLU A 23 4.343 16.734 12.360 1.00 21.16 C +ATOM 156 C GLU A 23 3.774 15.928 11.199 1.00 21.66 C +ATOM 157 O GLU A 23 2.818 16.351 10.555 1.00 21.16 O +ATOM 158 CB GLU A 23 5.644 17.428 11.928 1.00 20.77 C +ATOM 159 CG GLU A 23 6.127 18.466 12.904 0.50 20.67 C +ATOM 160 CD GLU A 23 7.543 18.945 12.641 0.50 23.39 C +ATOM 161 OE1 GLU A 23 8.228 18.364 11.766 0.50 22.08 O +ATOM 162 OE2 GLU A 23 7.965 19.907 13.324 0.50 24.45 O +ATOM 163 N GLN A 24 4.344 14.750 10.948 1.00 22.59 N +ATOM 164 CA GLN A 24 3.867 13.930 9.849 1.00 23.07 C +ATOM 165 C GLN A 24 2.453 13.424 10.041 1.00 22.97 C +ATOM 166 O GLN A 24 1.832 12.989 9.086 1.00 23.70 O +ATOM 167 CB GLN A 24 4.851 12.810 9.499 1.00 23.36 C +ATOM 168 CG GLN A 24 6.204 13.356 9.053 1.00 24.44 C +ATOM 169 CD GLN A 24 6.123 14.236 7.794 1.00 26.73 C +ATOM 170 OE1 GLN A 24 6.559 15.375 7.790 1.00 30.17 O +ATOM 171 NE2 GLN A 24 5.551 13.704 6.747 1.00 30.02 N +ATOM 172 N ASN A 25 1.956 13.481 11.276 1.00 23.00 N +ATOM 173 CA ASN A 25 0.621 13.003 11.599 1.00 22.89 C +ATOM 174 C ASN A 25 -0.375 14.113 11.903 1.00 22.63 C +ATOM 175 O ASN A 25 -1.384 13.907 12.589 1.00 23.34 O +ATOM 176 CB ASN A 25 0.684 11.984 12.745 1.00 22.08 C +ATOM 177 CG ASN A 25 1.143 10.627 12.266 1.00 22.85 C +ATOM 178 OD1 ASN A 25 0.339 9.836 11.761 1.00 21.10 O +ATOM 179 ND2 ASN A 25 2.445 10.342 12.407 1.00 21.29 N +ATOM 180 N GLY A 26 -0.099 15.294 11.383 1.00 22.61 N +ATOM 181 CA GLY A 26 -1.090 16.372 11.423 1.00 22.57 C +ATOM 182 C GLY A 26 -1.019 17.307 12.613 1.00 22.59 C +ATOM 183 O GLY A 26 -1.861 18.192 12.749 1.00 24.42 O +ATOM 184 N PHE A 27 -0.014 17.147 13.471 1.00 21.89 N +ATOM 185 CA PHE A 27 0.050 17.955 14.693 1.00 21.31 C +ATOM 186 C PHE A 27 1.074 19.048 14.560 1.00 21.09 C +ATOM 187 O PHE A 27 1.918 19.012 13.664 1.00 20.57 O +ATOM 188 CB PHE A 27 0.395 17.094 15.925 1.00 21.51 C +ATOM 189 CG PHE A 27 -0.617 16.031 16.217 1.00 21.06 C +ATOM 190 CD1 PHE A 27 -1.884 16.378 16.736 1.00 22.88 C +ATOM 191 CD2 PHE A 27 -0.330 14.686 15.956 1.00 20.50 C +ATOM 192 CE1 PHE A 27 -2.846 15.402 17.012 1.00 22.46 C +ATOM 193 CE2 PHE A 27 -1.302 13.685 16.235 1.00 22.03 C +ATOM 194 CZ PHE A 27 -2.546 14.055 16.758 1.00 22.59 C +ATOM 195 N GLN A 28 0.977 20.026 15.453 1.00 21.32 N +ATOM 196 CA GLN A 28 1.900 21.133 15.512 1.00 21.35 C +ATOM 197 C GLN A 28 2.663 21.050 16.831 1.00 21.48 C +ATOM 198 O GLN A 28 2.243 21.657 17.837 1.00 21.89 O +ATOM 199 CB GLN A 28 1.142 22.452 15.417 1.00 22.67 C +ATOM 200 N PRO A 29 3.787 20.305 16.849 1.00 21.26 N +ATOM 201 CA PRO A 29 4.483 20.179 18.149 1.00 21.65 C +ATOM 202 C PRO A 29 5.246 21.446 18.566 1.00 22.31 C +ATOM 203 O PRO A 29 5.655 22.263 17.694 1.00 22.40 O +ATOM 204 CB PRO A 29 5.428 18.997 17.938 1.00 20.33 C +ATOM 205 CG PRO A 29 5.648 18.948 16.435 1.00 22.20 C +ATOM 206 CD PRO A 29 4.483 19.579 15.764 1.00 21.29 C +ATOM 207 N VAL A 30 5.375 21.611 19.889 1.00 22.06 N +ATOM 208 CA VAL A 30 6.184 22.645 20.534 1.00 22.71 C +ATOM 209 C VAL A 30 7.135 21.951 21.514 1.00 21.72 C +ATOM 210 O VAL A 30 6.719 21.064 22.207 1.00 20.89 O +ATOM 211 CB VAL A 30 5.324 23.651 21.352 1.00 22.44 C +ATOM 212 CG1 VAL A 30 6.220 24.725 21.962 1.00 23.93 C +ATOM 213 CG2 VAL A 30 4.238 24.303 20.479 1.00 24.65 C +ATOM 214 N GLU A 31 8.399 22.370 21.590 1.00 22.11 N +ATOM 215 CA GLU A 31 9.394 21.619 22.384 1.00 22.24 C +ATOM 216 C GLU A 31 9.641 22.165 23.791 1.00 21.63 C +ATOM 217 O GLU A 31 9.703 23.376 23.979 1.00 21.09 O +ATOM 218 CB GLU A 31 10.715 21.549 21.627 1.00 22.60 C +ATOM 219 CG GLU A 31 10.654 20.656 20.417 1.00 26.52 C +ATOM 220 CD GLU A 31 11.910 20.689 19.616 1.00 29.31 C +ATOM 221 OE1 GLU A 31 12.934 20.168 20.091 1.00 32.28 O +ATOM 222 OE2 GLU A 31 11.874 21.232 18.493 1.00 30.63 O +ATOM 223 N ALA A 32 9.791 21.267 24.765 1.00 20.26 N +ATOM 224 CA ALA A 32 10.317 21.617 26.094 1.00 19.82 C +ATOM 225 C ALA A 32 11.345 20.569 26.509 1.00 20.07 C +ATOM 226 O ALA A 32 11.115 19.378 26.320 1.00 18.77 O +ATOM 227 CB ALA A 32 9.196 21.713 27.115 1.00 19.51 C +ATOM 228 N GLU A 33 12.496 21.018 27.009 1.00 19.75 N +ATOM 229 CA GLU A 33 13.619 20.104 27.289 1.00 21.39 C +ATOM 230 C GLU A 33 13.789 19.753 28.771 1.00 20.95 C +ATOM 231 O GLU A 33 14.611 18.913 29.118 1.00 20.52 O +ATOM 232 CB GLU A 33 14.944 20.659 26.734 1.00 20.95 C +ATOM 233 CG GLU A 33 15.420 21.967 27.406 1.00 22.36 C +ATOM 234 CD GLU A 33 16.790 22.427 26.869 1.00 25.42 C +ATOM 235 OE1 GLU A 33 17.318 21.817 25.908 1.00 30.36 O +ATOM 236 OE2 GLU A 33 17.344 23.409 27.396 1.00 28.56 O +ATOM 237 N ASP A 34 13.038 20.422 29.640 1.00 20.21 N +ATOM 238 CA ASP A 34 13.106 20.128 31.065 1.00 21.19 C +ATOM 239 C ASP A 34 11.862 20.606 31.740 1.00 21.06 C +ATOM 240 O ASP A 34 10.950 21.112 31.082 1.00 21.40 O +ATOM 241 CB ASP A 34 14.339 20.786 31.726 1.00 21.61 C +ATOM 242 CG ASP A 34 14.453 22.259 31.437 1.00 21.02 C +ATOM 243 OD1 ASP A 34 13.448 22.971 31.246 1.00 19.38 O +ATOM 244 OD2 ASP A 34 15.600 22.717 31.417 1.00 25.91 O +ATOM 245 N TYR A 35 11.825 20.420 33.053 1.00 21.32 N +ATOM 246 CA TYR A 35 10.665 20.733 33.855 1.00 21.46 C +ATOM 247 C TYR A 35 10.267 22.186 33.691 1.00 21.64 C +ATOM 248 O TYR A 35 9.113 22.504 33.370 1.00 21.19 O +ATOM 249 CB TYR A 35 10.956 20.420 35.326 1.00 22.00 C +ATOM 250 CG TYR A 35 9.773 20.607 36.223 1.00 22.20 C +ATOM 251 CD1 TYR A 35 9.483 21.853 36.762 1.00 21.86 C +ATOM 252 CD2 TYR A 35 8.908 19.537 36.514 1.00 21.19 C +ATOM 253 CE1 TYR A 35 8.385 22.041 37.571 1.00 22.66 C +ATOM 254 CE2 TYR A 35 7.774 19.740 37.338 1.00 21.93 C +ATOM 255 CZ TYR A 35 7.541 20.983 37.867 1.00 21.85 C +ATOM 256 OH TYR A 35 6.449 21.214 38.698 1.00 23.34 O +ATOM 257 N ASP A 36 11.221 23.079 33.924 1.00 21.85 N +ATOM 258 CA ASP A 36 10.920 24.514 33.908 1.00 21.94 C +ATOM 259 C ASP A 36 10.494 25.059 32.532 1.00 21.51 C +ATOM 260 O ASP A 36 9.593 25.902 32.442 1.00 20.60 O +ATOM 261 CB ASP A 36 12.099 25.309 34.476 1.00 22.91 C +ATOM 262 CG ASP A 36 12.325 25.049 35.987 1.00 25.72 C +ATOM 263 OD1 ASP A 36 11.356 24.810 36.725 1.00 30.21 O +ATOM 264 OD2 ASP A 36 13.482 25.079 36.437 1.00 31.69 O +ATOM 265 N SER A 37 11.125 24.570 31.466 1.00 21.50 N +ATOM 266 CA SER A 37 10.694 24.895 30.102 1.00 22.67 C +ATOM 267 C SER A 37 9.259 24.431 29.857 1.00 21.69 C +ATOM 268 O SER A 37 8.488 25.147 29.234 1.00 21.32 O +ATOM 269 CB SER A 37 11.597 24.238 29.040 1.00 22.30 C +ATOM 270 OG SER A 37 12.964 24.386 29.370 1.00 28.31 O +ATOM 271 N ALA A 38 8.896 23.241 30.347 1.00 22.19 N +ATOM 272 CA ALA A 38 7.538 22.738 30.138 1.00 21.36 C +ATOM 273 C ALA A 38 6.558 23.667 30.838 1.00 22.35 C +ATOM 274 O ALA A 38 5.585 24.063 30.241 1.00 21.56 O +ATOM 275 CB ALA A 38 7.401 21.336 30.663 1.00 22.04 C +ATOM 276 N VAL A 39 6.840 24.025 32.098 1.00 22.53 N +ATOM 277 CA VAL A 39 6.005 24.982 32.830 1.00 23.59 C +ATOM 278 C VAL A 39 5.854 26.309 32.048 1.00 24.81 C +ATOM 279 O VAL A 39 4.737 26.794 31.822 1.00 24.55 O +ATOM 280 CB VAL A 39 6.556 25.232 34.263 1.00 23.34 C +ATOM 281 CG1 VAL A 39 5.751 26.325 34.966 1.00 23.06 C +ATOM 282 CG2 VAL A 39 6.535 23.940 35.094 1.00 22.98 C +ATOM 283 N ASN A 40 6.972 26.872 31.606 1.00 26.20 N +ATOM 284 CA ASN A 40 6.952 28.128 30.845 1.00 28.06 C +ATOM 285 C ASN A 40 6.307 28.045 29.475 1.00 29.46 C +ATOM 286 O ASN A 40 5.647 28.978 29.028 1.00 29.70 O +ATOM 287 CB ASN A 40 8.377 28.677 30.693 1.00 28.40 C +ATOM 288 CG ASN A 40 8.895 29.307 31.966 1.00 28.72 C +ATOM 289 OD1 ASN A 40 8.128 29.755 32.843 1.00 30.80 O +ATOM 290 ND2 ASN A 40 10.214 29.337 32.091 1.00 30.93 N +ATOM 291 N GLN A 41 6.510 26.919 28.803 1.00 31.01 N +ATOM 292 CA GLN A 41 5.974 26.721 27.465 1.00 32.66 C +ATOM 293 C GLN A 41 4.504 26.434 27.533 1.00 33.26 C +ATOM 294 O GLN A 41 3.793 26.583 26.547 1.00 33.67 O +ATOM 295 CB GLN A 41 6.670 25.568 26.776 1.00 32.72 C +ATOM 296 CG GLN A 41 6.702 25.719 25.281 1.00 35.34 C +ATOM 297 CD GLN A 41 7.342 27.008 24.824 1.00 36.61 C +ATOM 298 OE1 GLN A 41 6.703 27.806 24.143 1.00 40.45 O +ATOM 299 NE2 GLN A 41 8.600 27.221 25.190 1.00 36.92 N +ATOM 300 N LEU A 42 4.058 26.020 28.711 1.00 33.02 N +ATOM 301 CA LEU A 42 2.658 25.727 28.958 1.00 32.97 C +ATOM 302 C LEU A 42 1.900 27.021 29.155 1.00 32.45 C +ATOM 303 O LEU A 42 1.755 27.505 30.274 1.00 32.64 O +ATOM 304 CB LEU A 42 2.530 24.828 30.187 1.00 33.40 C +ATOM 305 CG LEU A 42 1.195 24.636 30.870 1.00 33.32 C +ATOM 306 CD1 LEU A 42 0.358 23.636 30.114 1.00 34.51 C +ATOM 307 CD2 LEU A 42 1.488 24.175 32.282 1.00 36.08 C +ATOM 308 N ASN A 43 1.404 27.580 28.064 1.00 31.60 N +ATOM 309 CA ASN A 43 0.789 28.916 28.110 1.00 31.69 C +ATOM 310 C ASN A 43 0.025 29.135 26.822 1.00 31.82 C +ATOM 311 O ASN A 43 -0.077 28.229 26.021 1.00 31.37 O +ATOM 312 CB ASN A 43 1.863 30.006 28.304 1.00 30.88 C +ATOM 313 CG ASN A 43 1.394 31.140 29.208 1.00 30.29 C +ATOM 314 OD1 ASN A 43 1.965 31.390 30.278 1.00 28.02 O +ATOM 315 ND2 ASN A 43 0.342 31.818 28.792 1.00 28.99 N +ATOM 316 N GLU A 44 -0.515 30.330 26.622 1.00 32.82 N +ATOM 317 CA GLU A 44 -1.208 30.628 25.377 1.00 33.86 C +ATOM 318 C GLU A 44 -0.206 30.788 24.211 1.00 33.55 C +ATOM 319 O GLU A 44 0.874 31.360 24.407 1.00 34.13 O +ATOM 320 CB GLU A 44 -2.041 31.878 25.535 1.00 34.06 C +ATOM 321 CG GLU A 44 -3.187 31.703 26.488 1.00 37.63 C +ATOM 322 CD GLU A 44 -4.416 32.436 26.009 1.00 40.37 C +ATOM 323 OE1 GLU A 44 -4.459 32.722 24.795 1.00 43.19 O +ATOM 324 OE2 GLU A 44 -5.325 32.713 26.829 1.00 41.49 O +ATOM 325 N PRO A 45 -0.530 30.245 23.011 1.00 32.78 N +ATOM 326 CA PRO A 45 -1.713 29.446 22.673 1.00 32.32 C +ATOM 327 C PRO A 45 -1.626 28.060 23.325 1.00 31.43 C +ATOM 328 O PRO A 45 -0.609 27.369 23.174 1.00 31.29 O +ATOM 329 CB PRO A 45 -1.642 29.341 21.149 1.00 32.12 C +ATOM 330 CG PRO A 45 -0.197 29.459 20.831 1.00 33.08 C +ATOM 331 CD PRO A 45 0.370 30.407 21.859 1.00 32.74 C +ATOM 332 N TRP A 46 -2.660 27.678 24.074 1.00 30.58 N +ATOM 333 CA TRP A 46 -2.597 26.454 24.872 1.00 29.55 C +ATOM 334 C TRP A 46 -2.336 25.205 24.020 1.00 28.61 C +ATOM 335 O TRP A 46 -2.768 25.134 22.855 1.00 28.43 O +ATOM 336 CB TRP A 46 -3.851 26.267 25.724 1.00 29.96 C +ATOM 337 CG TRP A 46 -4.049 27.331 26.791 1.00 31.67 C +ATOM 338 CD1 TRP A 46 -4.939 28.366 26.757 1.00 32.91 C +ATOM 339 CD2 TRP A 46 -3.332 27.458 28.038 1.00 32.19 C +ATOM 340 NE1 TRP A 46 -4.834 29.119 27.916 1.00 32.88 N +ATOM 341 CE2 TRP A 46 -3.849 28.586 28.707 1.00 30.80 C +ATOM 342 CE3 TRP A 46 -2.298 26.724 28.649 1.00 31.11 C +ATOM 343 CZ2 TRP A 46 -3.376 29.001 29.948 1.00 29.89 C +ATOM 344 CZ3 TRP A 46 -1.831 27.132 29.884 1.00 30.88 C +ATOM 345 CH2 TRP A 46 -2.369 28.257 30.526 1.00 31.39 C +ATOM 346 N PRO A 47 -1.589 24.225 24.578 1.00 27.29 N +ATOM 347 CA PRO A 47 -1.507 22.955 23.850 1.00 25.66 C +ATOM 348 C PRO A 47 -2.800 22.159 23.976 1.00 24.48 C +ATOM 349 O PRO A 47 -3.452 22.180 25.023 1.00 24.11 O +ATOM 350 CB PRO A 47 -0.325 22.232 24.516 1.00 25.03 C +ATOM 351 CG PRO A 47 -0.228 22.806 25.868 1.00 26.72 C +ATOM 352 CD PRO A 47 -0.748 24.226 25.789 1.00 26.63 C +ATOM 353 N ASP A 48 -3.174 21.472 22.895 1.00 23.20 N +ATOM 354 CA ASP A 48 -4.314 20.576 22.932 1.00 22.65 C +ATOM 355 C ASP A 48 -3.979 19.351 23.755 1.00 21.26 C +ATOM 356 O ASP A 48 -4.854 18.797 24.384 1.00 21.56 O +ATOM 357 CB ASP A 48 -4.762 20.242 21.518 1.00 22.62 C +ATOM 358 CG ASP A 48 -5.229 21.467 20.790 1.00 26.99 C +ATOM 359 OD1 ASP A 48 -6.311 21.987 21.142 1.00 31.47 O +ATOM 360 OD2 ASP A 48 -4.495 21.966 19.917 1.00 28.28 O +ATOM 361 N LEU A 49 -2.690 18.977 23.788 1.00 19.76 N +ATOM 362 CA LEU A 49 -2.211 17.846 24.588 1.00 18.81 C +ATOM 363 C LEU A 49 -0.731 18.017 24.886 1.00 17.98 C +ATOM 364 O LEU A 49 0.008 18.630 24.127 1.00 18.74 O +ATOM 365 CB LEU A 49 -2.449 16.522 23.851 1.00 18.47 C +ATOM 366 CG LEU A 49 -2.175 15.128 24.429 1.00 19.45 C +ATOM 367 CD1 LEU A 49 -3.268 14.138 23.936 1.00 21.20 C +ATOM 368 CD2 LEU A 49 -0.795 14.656 24.045 1.00 19.31 C +ATOM 369 N ILE A 50 -0.325 17.442 26.000 1.00 17.75 N +ATOM 370 CA ILE A 50 1.040 17.480 26.482 1.00 16.95 C +ATOM 371 C ILE A 50 1.600 16.030 26.479 1.00 15.95 C +ATOM 372 O ILE A 50 1.034 15.145 27.084 1.00 15.10 O +ATOM 373 CB ILE A 50 1.113 18.078 27.907 1.00 17.53 C +ATOM 374 CG1 ILE A 50 0.585 19.531 27.918 1.00 18.24 C +ATOM 375 CG2 ILE A 50 2.561 18.070 28.390 1.00 18.18 C +ATOM 376 CD1 ILE A 50 0.201 20.005 29.321 1.00 22.35 C +ATOM 377 N LEU A 51 2.673 15.806 25.747 1.00 15.18 N +ATOM 378 CA LEU A 51 3.290 14.480 25.657 1.00 15.83 C +ATOM 379 C LEU A 51 4.529 14.551 26.520 1.00 16.20 C +ATOM 380 O LEU A 51 5.431 15.322 26.217 1.00 18.21 O +ATOM 381 CB LEU A 51 3.662 14.186 24.192 1.00 14.72 C +ATOM 382 CG LEU A 51 4.270 12.819 23.837 1.00 17.58 C +ATOM 383 CD1 LEU A 51 3.286 11.666 24.157 1.00 14.42 C +ATOM 384 CD2 LEU A 51 4.647 12.769 22.348 1.00 14.25 C +ATOM 385 N LEU A 52 4.590 13.745 27.573 1.00 15.70 N +ATOM 386 CA LEU A 52 5.426 14.094 28.708 1.00 15.20 C +ATOM 387 C LEU A 52 6.377 12.978 29.138 1.00 15.43 C +ATOM 388 O LEU A 52 5.924 11.867 29.525 1.00 16.24 O +ATOM 389 CB LEU A 52 4.485 14.519 29.890 1.00 15.00 C +ATOM 390 CG LEU A 52 5.167 14.689 31.253 1.00 15.20 C +ATOM 391 CD1 LEU A 52 6.012 15.959 31.173 1.00 16.77 C +ATOM 392 CD2 LEU A 52 4.106 14.809 32.337 1.00 14.89 C +ATOM 393 N ASP A 53 7.681 13.257 29.069 1.00 14.50 N +ATOM 394 CA ASP A 53 8.717 12.315 29.557 1.00 14.55 C +ATOM 395 C ASP A 53 8.659 12.357 31.079 1.00 16.19 C +ATOM 396 O ASP A 53 8.170 13.354 31.666 1.00 15.60 O +ATOM 397 CB ASP A 53 10.090 12.752 29.019 1.00 15.20 C +ATOM 398 CG ASP A 53 11.221 11.839 29.423 1.00 14.77 C +ATOM 399 OD1 ASP A 53 11.025 10.646 29.709 1.00 15.72 O +ATOM 400 OD2 ASP A 53 12.348 12.338 29.411 1.00 16.42 O +ATOM 401 N TRP A 54 9.063 11.268 31.733 1.00 15.74 N +ATOM 402 CA TRP A 54 9.066 11.250 33.198 1.00 17.07 C +ATOM 403 C TRP A 54 10.361 11.885 33.771 1.00 17.16 C +ATOM 404 O TRP A 54 10.317 12.906 34.471 1.00 16.70 O +ATOM 405 CB TRP A 54 8.911 9.796 33.689 1.00 17.64 C +ATOM 406 CG TRP A 54 8.909 9.584 35.208 1.00 19.00 C +ATOM 407 CD1 TRP A 54 9.821 10.067 36.129 1.00 20.27 C +ATOM 408 CD2 TRP A 54 7.996 8.765 35.946 1.00 20.94 C +ATOM 409 NE1 TRP A 54 9.507 9.605 37.400 1.00 20.00 N +ATOM 410 CE2 TRP A 54 8.397 8.805 37.315 1.00 20.67 C +ATOM 411 CE3 TRP A 54 6.876 7.988 35.584 1.00 18.83 C +ATOM 412 CZ2 TRP A 54 7.710 8.109 38.326 1.00 18.54 C +ATOM 413 CZ3 TRP A 54 6.186 7.316 36.592 1.00 19.86 C +ATOM 414 CH2 TRP A 54 6.613 7.382 37.949 1.00 19.95 C +ATOM 415 N MET A 55 11.499 11.309 33.418 1.00 17.92 N +ATOM 416 CA MET A 55 12.792 11.744 33.971 1.00 19.60 C +ATOM 417 C MET A 55 13.327 12.933 33.193 1.00 18.37 C +ATOM 418 O MET A 55 13.749 12.795 32.031 1.00 17.98 O +ATOM 419 CB MET A 55 13.785 10.577 33.942 1.00 19.83 C +ATOM 420 CG MET A 55 13.201 9.327 34.594 1.00 21.98 C +ATOM 421 SD MET A 55 14.335 7.928 34.646 1.00 24.92 S +ATOM 422 CE MET A 55 14.276 7.331 32.961 1.00 23.42 C +ATOM 423 N LEU A 56 13.287 14.088 33.860 1.00 18.84 N +ATOM 424 CA LEU A 56 13.632 15.398 33.295 1.00 18.72 C +ATOM 425 C LEU A 56 14.464 16.176 34.303 1.00 19.47 C +ATOM 426 O LEU A 56 14.239 16.026 35.501 1.00 18.49 O +ATOM 427 CB LEU A 56 12.348 16.201 33.055 1.00 17.69 C +ATOM 428 CG LEU A 56 11.368 15.644 31.993 1.00 15.73 C +ATOM 429 CD1 LEU A 56 10.089 16.331 32.208 1.00 14.01 C +ATOM 430 CD2 LEU A 56 11.869 15.927 30.573 1.00 14.63 C +ATOM 431 N PRO A 57 15.404 17.015 33.821 1.00 20.45 N +ATOM 432 CA PRO A 57 16.096 17.961 34.714 1.00 21.18 C +ATOM 433 C PRO A 57 15.159 18.931 35.406 1.00 22.49 C +ATOM 434 O PRO A 57 14.223 19.463 34.792 1.00 23.06 O +ATOM 435 CB PRO A 57 17.057 18.709 33.769 1.00 20.86 C +ATOM 436 CG PRO A 57 17.236 17.781 32.606 1.00 20.22 C +ATOM 437 CD PRO A 57 15.899 17.125 32.431 1.00 19.89 C +ATOM 438 N GLY A 58 15.397 19.155 36.702 1.00 23.16 N +ATOM 439 CA GLY A 58 14.641 20.146 37.418 1.00 21.85 C +ATOM 440 C GLY A 58 13.325 19.656 38.004 1.00 22.50 C +ATOM 441 O GLY A 58 12.628 20.428 38.640 1.00 21.89 O +ATOM 442 N GLY A 59 12.957 18.396 37.760 1.00 21.60 N +ATOM 443 CA GLY A 59 11.672 17.866 38.270 1.00 20.69 C +ATOM 444 C GLY A 59 11.019 16.875 37.332 1.00 20.34 C +ATOM 445 O GLY A 59 11.042 17.063 36.112 1.00 20.56 O +ATOM 446 N SER A 60 10.397 15.843 37.904 1.00 19.34 N +ATOM 447 CA SER A 60 9.841 14.748 37.122 1.00 18.18 C +ATOM 448 C SER A 60 8.529 15.146 36.423 1.00 17.88 C +ATOM 449 O SER A 60 7.846 16.122 36.799 1.00 17.92 O +ATOM 450 CB SER A 60 9.604 13.517 38.015 1.00 17.79 C +ATOM 451 OG SER A 60 8.465 13.790 38.805 1.00 15.19 O +ATOM 452 N GLY A 61 8.157 14.370 35.408 1.00 16.73 N +ATOM 453 CA GLY A 61 6.871 14.560 34.786 1.00 15.34 C +ATOM 454 C GLY A 61 5.712 14.319 35.761 1.00 14.97 C +ATOM 455 O GLY A 61 4.644 14.900 35.571 1.00 14.86 O +ATOM 456 N ILE A 62 5.873 13.453 36.754 1.00 15.40 N +ATOM 457 CA ILE A 62 4.868 13.276 37.807 1.00 17.74 C +ATOM 458 C ILE A 62 4.574 14.604 38.514 1.00 17.84 C +ATOM 459 O ILE A 62 3.418 14.974 38.749 1.00 17.80 O +ATOM 460 CB ILE A 62 5.319 12.222 38.854 1.00 18.11 C +ATOM 461 CG1 ILE A 62 5.527 10.859 38.183 1.00 17.92 C +ATOM 462 CG2 ILE A 62 4.320 12.165 40.040 1.00 18.45 C +ATOM 463 CD1 ILE A 62 4.250 10.184 37.649 1.00 20.21 C +ATOM 464 N GLN A 63 5.644 15.313 38.854 1.00 17.89 N +ATOM 465 CA GLN A 63 5.510 16.598 39.503 1.00 18.35 C +ATOM 466 C GLN A 63 4.866 17.616 38.552 1.00 17.88 C +ATOM 467 O GLN A 63 4.040 18.414 38.964 1.00 18.08 O +ATOM 468 CB GLN A 63 6.873 17.056 40.022 1.00 18.28 C +ATOM 469 CG GLN A 63 7.451 16.099 41.096 1.00 19.65 C +ATOM 470 CD GLN A 63 6.413 15.775 42.176 1.00 21.89 C +ATOM 471 OE1 GLN A 63 5.722 16.661 42.659 1.00 26.05 O +ATOM 472 NE2 GLN A 63 6.269 14.512 42.510 1.00 22.29 N +ATOM 473 N PHE A 64 5.212 17.548 37.278 1.00 17.73 N +ATOM 474 CA PHE A 64 4.586 18.408 36.281 1.00 18.12 C +ATOM 475 C PHE A 64 3.062 18.178 36.228 1.00 17.51 C +ATOM 476 O PHE A 64 2.307 19.116 36.196 1.00 17.80 O +ATOM 477 CB PHE A 64 5.242 18.168 34.895 1.00 18.40 C +ATOM 478 CG PHE A 64 4.764 19.127 33.836 1.00 19.79 C +ATOM 479 CD1 PHE A 64 5.172 20.459 33.854 1.00 20.58 C +ATOM 480 CD2 PHE A 64 3.890 18.707 32.853 1.00 20.93 C +ATOM 481 CE1 PHE A 64 4.721 21.352 32.884 1.00 19.85 C +ATOM 482 CE2 PHE A 64 3.415 19.586 31.899 1.00 22.79 C +ATOM 483 CZ PHE A 64 3.827 20.921 31.909 1.00 18.83 C +ATOM 484 N ILE A 65 2.616 16.924 36.220 1.00 17.43 N +ATOM 485 CA ILE A 65 1.170 16.639 36.228 1.00 17.29 C +ATOM 486 C ILE A 65 0.503 17.218 37.476 1.00 18.26 C +ATOM 487 O ILE A 65 -0.604 17.773 37.416 1.00 18.24 O +ATOM 488 CB ILE A 65 0.884 15.120 36.137 1.00 17.38 C +ATOM 489 CG1 ILE A 65 1.295 14.629 34.755 1.00 14.81 C +ATOM 490 CG2 ILE A 65 -0.636 14.847 36.320 1.00 15.85 C +ATOM 491 CD1 ILE A 65 1.272 13.108 34.595 1.00 15.61 C +ATOM 492 N LYS A 66 1.195 17.142 38.610 1.00 19.53 N +ATOM 493 CA LYS A 66 0.657 17.757 39.823 1.00 20.08 C +ATOM 494 C LYS A 66 0.501 19.267 39.639 1.00 21.33 C +ATOM 495 O LYS A 66 -0.508 19.849 40.065 1.00 20.86 O +ATOM 496 CB LYS A 66 1.513 17.416 41.038 1.00 20.11 C +ATOM 497 CG LYS A 66 1.449 15.969 41.475 1.00 19.88 C +ATOM 498 CD LYS A 66 2.408 15.790 42.633 1.00 23.36 C +ATOM 499 CE LYS A 66 2.316 14.418 43.229 1.00 22.22 C +ATOM 500 NZ LYS A 66 1.063 14.321 44.026 1.00 24.08 N +ATOM 501 N HIS A 67 1.484 19.889 38.974 1.00 22.65 N +ATOM 502 CA HIS A 67 1.445 21.319 38.656 1.00 23.93 C +ATOM 503 C HIS A 67 0.221 21.636 37.789 1.00 24.03 C +ATOM 504 O HIS A 67 -0.507 22.594 38.057 1.00 23.83 O +ATOM 505 CB HIS A 67 2.720 21.706 37.900 1.00 25.27 C +ATOM 506 CG HIS A 67 2.913 23.180 37.755 1.00 27.66 C +ATOM 507 ND1 HIS A 67 2.360 23.903 36.723 1.00 30.85 N +ATOM 508 CD2 HIS A 67 3.585 24.070 38.522 1.00 29.10 C +ATOM 509 CE1 HIS A 67 2.680 25.178 36.857 1.00 31.60 C +ATOM 510 NE2 HIS A 67 3.430 25.305 37.936 1.00 31.87 N +ATOM 511 N LEU A 68 -0.009 20.809 36.768 1.00 22.95 N +ATOM 512 CA LEU A 68 -1.110 20.996 35.824 1.00 23.73 C +ATOM 513 C LEU A 68 -2.468 20.886 36.504 1.00 23.01 C +ATOM 514 O LEU A 68 -3.381 21.699 36.253 1.00 22.21 O +ATOM 515 CB LEU A 68 -1.047 19.916 34.753 1.00 23.18 C +ATOM 516 CG LEU A 68 0.020 20.087 33.697 1.00 26.21 C +ATOM 517 CD1 LEU A 68 0.037 18.849 32.863 1.00 27.42 C +ATOM 518 CD2 LEU A 68 -0.331 21.260 32.823 1.00 26.60 C +ATOM 519 N LYS A 69 -2.581 19.874 37.356 1.00 23.63 N +ATOM 520 CA LYS A 69 -3.843 19.533 37.984 1.00 25.07 C +ATOM 521 C LYS A 69 -4.186 20.473 39.124 1.00 25.95 C +ATOM 522 O LYS A 69 -5.345 20.618 39.456 1.00 26.54 O +ATOM 523 CB LYS A 69 -3.888 18.055 38.444 1.00 24.35 C +ATOM 524 CG LYS A 69 -3.662 16.990 37.351 1.00 25.86 C +ATOM 525 CD LYS A 69 -4.834 16.853 36.354 1.00 25.02 C +ATOM 526 CE LYS A 69 -4.358 16.273 35.017 1.00 26.45 C +ATOM 527 NZ LYS A 69 -5.346 16.495 33.903 1.00 27.44 N +ATOM 528 N ARG A 70 -3.190 21.110 39.731 1.00 27.91 N +ATOM 529 CA ARG A 70 -3.458 22.082 40.812 1.00 28.70 C +ATOM 530 C ARG A 70 -4.053 23.389 40.268 1.00 29.69 C +ATOM 531 O ARG A 70 -4.773 24.106 40.983 1.00 30.03 O +ATOM 532 CB ARG A 70 -2.184 22.348 41.647 1.00 28.93 C +ATOM 533 CG ARG A 70 -2.164 23.714 42.385 1.00 29.89 C +ATOM 534 CD ARG A 70 -0.870 23.959 43.178 1.00 28.60 C +ATOM 535 NE ARG A 70 0.337 23.897 42.350 1.00 25.71 N +ATOM 536 CZ ARG A 70 1.557 23.650 42.829 1.00 28.21 C +ATOM 537 NH1 ARG A 70 1.744 23.442 44.133 1.00 27.19 N +ATOM 538 NH2 ARG A 70 2.602 23.616 42.015 1.00 27.20 N +ATOM 539 N GLU A 71 -3.761 23.695 39.010 1.00 30.51 N +ATOM 540 CA GLU A 71 -4.150 24.978 38.396 1.00 31.88 C +ATOM 541 C GLU A 71 -5.398 24.804 37.538 1.00 32.70 C +ATOM 542 O GLU A 71 -5.377 24.118 36.500 1.00 32.77 O +ATOM 543 CB GLU A 71 -2.965 25.555 37.605 1.00 31.13 C +ATOM 544 CG GLU A 71 -3.292 26.609 36.541 1.00 33.38 C +ATOM 545 CD GLU A 71 -3.648 27.960 37.119 1.00 37.89 C +ATOM 546 OE1 GLU A 71 -2.931 28.437 38.038 1.00 39.29 O +ATOM 547 OE2 GLU A 71 -4.635 28.555 36.633 1.00 37.53 O +ATOM 548 N SER A 72 -6.498 25.414 37.979 1.00 33.69 N +ATOM 549 CA SER A 72 -7.772 25.239 37.297 1.00 34.45 C +ATOM 550 C SER A 72 -7.698 25.600 35.808 1.00 35.04 C +ATOM 551 O SER A 72 -8.454 25.055 35.006 1.00 34.88 O +ATOM 552 CB SER A 72 -8.910 25.981 38.007 1.00 35.25 C +ATOM 553 OG SER A 72 -8.612 27.359 38.125 1.00 35.12 O +ATOM 554 N MET A 73 -6.771 26.479 35.434 1.00 35.13 N +ATOM 555 CA MET A 73 -6.628 26.873 34.033 1.00 36.59 C +ATOM 556 C MET A 73 -6.042 25.767 33.156 1.00 34.47 C +ATOM 557 O MET A 73 -6.194 25.803 31.942 1.00 34.92 O +ATOM 558 CB MET A 73 -5.778 28.141 33.887 1.00 36.33 C +ATOM 559 CG MET A 73 -6.486 29.465 34.256 1.00 38.92 C +ATOM 560 SD MET A 73 -5.493 30.864 33.666 1.00 42.40 S +ATOM 561 CE MET A 73 -5.822 30.822 31.890 1.00 42.59 C +ATOM 562 N THR A 74 -5.375 24.792 33.762 1.00 32.48 N +ATOM 563 CA THR A 74 -4.652 23.769 32.997 1.00 30.17 C +ATOM 564 C THR A 74 -5.094 22.335 33.284 1.00 29.71 C +ATOM 565 O THR A 74 -4.641 21.394 32.615 1.00 29.42 O +ATOM 566 CB THR A 74 -3.139 23.819 33.292 1.00 30.05 C +ATOM 567 OG1 THR A 74 -2.941 23.733 34.705 1.00 28.35 O +ATOM 568 CG2 THR A 74 -2.510 25.097 32.734 1.00 28.26 C +ATOM 569 N ARG A 75 -5.962 22.159 34.274 1.00 28.83 N +ATOM 570 CA ARG A 75 -6.251 20.828 34.783 1.00 28.02 C +ATOM 571 C ARG A 75 -6.990 19.916 33.785 1.00 27.16 C +ATOM 572 O ARG A 75 -6.973 18.702 33.962 1.00 27.31 O +ATOM 573 CB ARG A 75 -6.937 20.886 36.163 1.00 28.75 C +ATOM 574 CG ARG A 75 -8.420 20.655 36.194 1.00 32.41 C +ATOM 575 CD ARG A 75 -9.098 21.426 37.329 1.00 38.11 C +ATOM 576 NE ARG A 75 -8.240 21.598 38.513 1.00 40.05 N +ATOM 577 CZ ARG A 75 -8.596 22.295 39.596 1.00 42.65 C +ATOM 578 NH1 ARG A 75 -9.803 22.868 39.654 1.00 42.41 N +ATOM 579 NH2 ARG A 75 -7.755 22.420 40.622 1.00 40.05 N +ATOM 580 N ASP A 76 -7.610 20.491 32.753 1.00 25.49 N +ATOM 581 CA ASP A 76 -8.356 19.686 31.784 1.00 25.91 C +ATOM 582 C ASP A 76 -7.549 19.384 30.535 1.00 24.48 C +ATOM 583 O ASP A 76 -8.047 18.713 29.637 1.00 23.53 O +ATOM 584 CB ASP A 76 -9.654 20.363 31.374 1.00 26.69 C +ATOM 585 CG ASP A 76 -10.646 20.522 32.535 1.00 29.48 C +ATOM 586 OD1 ASP A 76 -10.680 19.673 33.474 1.00 31.77 O +ATOM 587 OD2 ASP A 76 -11.415 21.511 32.466 1.00 33.76 O +ATOM 588 N ILE A 77 -6.303 19.864 30.477 1.00 23.68 N +ATOM 589 CA ILE A 77 -5.452 19.591 29.315 1.00 22.52 C +ATOM 590 C ILE A 77 -4.971 18.142 29.392 1.00 21.79 C +ATOM 591 O ILE A 77 -4.387 17.742 30.390 1.00 21.57 O +ATOM 592 CB ILE A 77 -4.214 20.533 29.239 1.00 22.70 C +ATOM 593 CG1 ILE A 77 -4.633 22.001 29.039 1.00 21.64 C +ATOM 594 CG2 ILE A 77 -3.259 20.086 28.104 1.00 21.39 C +ATOM 595 CD1 ILE A 77 -3.441 22.984 29.167 1.00 22.44 C +ATOM 596 N PRO A 78 -5.237 17.340 28.344 1.00 21.37 N +ATOM 597 CA PRO A 78 -4.782 15.944 28.429 1.00 19.68 C +ATOM 598 C PRO A 78 -3.258 15.817 28.444 1.00 18.79 C +ATOM 599 O PRO A 78 -2.558 16.601 27.813 1.00 18.64 O +ATOM 600 CB PRO A 78 -5.348 15.291 27.150 1.00 20.08 C +ATOM 601 CG PRO A 78 -5.580 16.457 26.208 1.00 21.40 C +ATOM 602 CD PRO A 78 -5.962 17.629 27.089 1.00 20.86 C +ATOM 603 N VAL A 79 -2.793 14.792 29.137 1.00 18.41 N +ATOM 604 CA VAL A 79 -1.390 14.476 29.264 1.00 18.49 C +ATOM 605 C VAL A 79 -1.251 12.994 28.973 1.00 18.21 C +ATOM 606 O VAL A 79 -2.006 12.172 29.491 1.00 18.69 O +ATOM 607 CB VAL A 79 -0.872 14.788 30.705 1.00 19.27 C +ATOM 608 CG1 VAL A 79 0.553 14.333 30.855 1.00 19.79 C +ATOM 609 CG2 VAL A 79 -0.966 16.262 30.958 1.00 18.73 C +ATOM 610 N VAL A 80 -0.307 12.677 28.104 1.00 17.22 N +ATOM 611 CA VAL A 80 0.082 11.310 27.793 1.00 16.48 C +ATOM 612 C VAL A 80 1.561 11.177 28.154 1.00 16.56 C +ATOM 613 O VAL A 80 2.391 11.911 27.617 1.00 16.43 O +ATOM 614 CB VAL A 80 -0.114 11.055 26.305 1.00 16.16 C +ATOM 615 CG1 VAL A 80 0.553 9.740 25.899 1.00 17.09 C +ATOM 616 CG2 VAL A 80 -1.651 11.056 25.965 1.00 16.57 C +ATOM 617 N MET A 81 1.910 10.283 29.072 1.00 16.43 N +ATOM 618 CA MET A 81 3.335 10.116 29.383 1.00 16.28 C +ATOM 619 C MET A 81 4.019 9.212 28.352 1.00 16.87 C +ATOM 620 O MET A 81 3.388 8.317 27.801 1.00 17.20 O +ATOM 621 CB MET A 81 3.533 9.616 30.801 1.00 16.26 C +ATOM 622 CG MET A 81 3.020 10.625 31.865 1.00 16.04 C +ATOM 623 SD MET A 81 3.519 10.171 33.527 1.00 18.00 S +ATOM 624 CE MET A 81 5.224 10.732 33.514 1.00 15.50 C +ATOM 625 N LEU A 82 5.289 9.484 28.061 1.00 16.13 N +ATOM 626 CA LEU A 82 6.056 8.662 27.121 1.00 16.07 C +ATOM 627 C LEU A 82 7.458 8.578 27.722 1.00 15.95 C +ATOM 628 O LEU A 82 8.179 9.572 27.773 1.00 16.97 O +ATOM 629 CB LEU A 82 6.066 9.345 25.747 1.00 16.58 C +ATOM 630 CG LEU A 82 6.955 8.735 24.655 1.00 14.33 C +ATOM 631 CD1 LEU A 82 6.552 7.296 24.388 1.00 12.67 C +ATOM 632 CD2 LEU A 82 6.927 9.580 23.387 1.00 17.91 C +ATOM 633 N THR A 83 7.828 7.406 28.210 1.00 15.43 N +ATOM 634 CA THR A 83 8.926 7.328 29.170 1.00 15.52 C +ATOM 635 C THR A 83 9.565 5.966 29.174 1.00 15.98 C +ATOM 636 O THR A 83 8.913 4.946 28.918 1.00 17.03 O +ATOM 637 CB THR A 83 8.469 7.586 30.659 1.00 15.86 C +ATOM 638 OG1 THR A 83 9.540 7.188 31.538 1.00 14.00 O +ATOM 639 CG2 THR A 83 7.243 6.732 31.015 1.00 15.91 C +ATOM 640 N ALA A 84 10.835 5.941 29.537 1.00 16.43 N +ATOM 641 CA ALA A 84 11.552 4.677 29.683 1.00 15.77 C +ATOM 642 C ALA A 84 11.218 3.920 30.977 1.00 16.92 C +ATOM 643 O ALA A 84 11.633 2.763 31.155 1.00 16.88 O +ATOM 644 CB ALA A 84 13.041 4.944 29.592 1.00 15.03 C +ATOM 645 N ARG A 85 10.490 4.565 31.890 1.00 17.45 N +ATOM 646 CA ARG A 85 10.043 3.926 33.140 1.00 18.11 C +ATOM 647 C ARG A 85 8.854 3.012 32.851 1.00 19.04 C +ATOM 648 O ARG A 85 7.693 3.468 32.808 1.00 19.49 O +ATOM 649 CB ARG A 85 9.661 4.965 34.188 1.00 18.17 C +ATOM 650 CG ARG A 85 10.861 5.784 34.619 1.00 19.67 C +ATOM 651 CD ARG A 85 10.630 6.559 35.907 1.00 22.87 C +ATOM 652 NE ARG A 85 10.802 5.721 37.093 1.00 22.97 N +ATOM 653 CZ ARG A 85 11.926 5.595 37.789 1.00 26.45 C +ATOM 654 NH1 ARG A 85 13.032 6.250 37.443 1.00 24.49 N +ATOM 655 NH2 ARG A 85 11.943 4.796 38.848 1.00 27.63 N +ATOM 656 N GLY A 86 9.172 1.735 32.681 1.00 18.52 N +ATOM 657 CA GLY A 86 8.206 0.740 32.282 1.00 19.94 C +ATOM 658 C GLY A 86 7.651 -0.189 33.333 1.00 20.09 C +ATOM 659 O GLY A 86 6.742 -0.977 33.014 1.00 19.90 O +ATOM 660 N GLU A 87 8.167 -0.133 34.564 1.00 20.25 N +ATOM 661 CA GLU A 87 7.671 -1.001 35.647 1.00 21.48 C +ATOM 662 C GLU A 87 6.191 -0.740 35.916 1.00 20.83 C +ATOM 663 O GLU A 87 5.754 0.384 35.802 1.00 19.83 O +ATOM 664 CB GLU A 87 8.445 -0.746 36.948 1.00 21.86 C +ATOM 665 CG GLU A 87 9.933 -0.845 36.812 1.00 27.45 C +ATOM 666 CD GLU A 87 10.396 -2.248 36.561 1.00 32.94 C +ATOM 667 OE1 GLU A 87 9.535 -3.154 36.530 1.00 36.47 O +ATOM 668 OE2 GLU A 87 11.627 -2.443 36.407 1.00 35.28 O +ATOM 669 N GLU A 88 5.436 -1.771 36.306 1.00 21.87 N +ATOM 670 CA GLU A 88 4.008 -1.608 36.636 1.00 22.28 C +ATOM 671 C GLU A 88 3.777 -0.458 37.614 1.00 22.63 C +ATOM 672 O GLU A 88 2.849 0.343 37.448 1.00 22.67 O +ATOM 673 CB GLU A 88 3.437 -2.928 37.202 1.00 23.53 C +ATOM 674 CG GLU A 88 1.920 -2.966 37.421 1.00 25.67 C +ATOM 675 CD GLU A 88 1.464 -2.531 38.851 1.00 31.34 C +ATOM 676 OE1 GLU A 88 2.300 -2.068 39.642 1.00 31.02 O +ATOM 677 OE2 GLU A 88 0.259 -2.669 39.186 1.00 30.88 O +ATOM 678 N GLU A 89 4.624 -0.368 38.642 1.00 23.30 N +ATOM 679 CA GLU A 89 4.431 0.647 39.689 1.00 23.94 C +ATOM 680 C GLU A 89 4.424 2.051 39.075 1.00 21.79 C +ATOM 681 O GLU A 89 3.690 2.918 39.502 1.00 20.64 O +ATOM 682 CB GLU A 89 5.525 0.497 40.755 1.00 25.04 C +ATOM 683 CG GLU A 89 5.727 1.709 41.682 1.00 27.86 C +ATOM 684 CD GLU A 89 6.652 1.390 42.857 1.00 28.42 C +ATOM 685 OE1 GLU A 89 7.647 0.655 42.629 1.00 32.75 O +ATOM 686 OE2 GLU A 89 6.365 1.861 43.997 1.00 36.65 O +ATOM 687 N ASP A 90 5.248 2.249 38.064 1.00 20.56 N +ATOM 688 CA ASP A 90 5.385 3.568 37.444 1.00 19.18 C +ATOM 689 C ASP A 90 4.219 3.908 36.545 1.00 18.73 C +ATOM 690 O ASP A 90 3.698 5.024 36.594 1.00 17.97 O +ATOM 691 CB ASP A 90 6.750 3.680 36.758 1.00 19.38 C +ATOM 692 CG ASP A 90 7.880 3.782 37.788 1.00 21.92 C +ATOM 693 OD1 ASP A 90 7.555 3.989 38.978 1.00 26.69 O +ATOM 694 OD2 ASP A 90 9.058 3.669 37.434 1.00 24.89 O +ATOM 695 N ARG A 91 3.809 2.943 35.715 1.00 17.99 N +ATOM 696 CA ARG A 91 2.608 3.087 34.893 1.00 16.14 C +ATOM 697 C ARG A 91 1.428 3.470 35.750 1.00 16.75 C +ATOM 698 O ARG A 91 0.830 4.465 35.494 1.00 16.62 O +ATOM 699 CB ARG A 91 2.329 1.816 34.101 1.00 17.25 C +ATOM 700 CG ARG A 91 3.571 1.335 33.364 1.00 15.71 C +ATOM 701 CD ARG A 91 3.208 0.413 32.227 1.00 20.98 C +ATOM 702 NE ARG A 91 2.449 -0.766 32.649 1.00 22.77 N +ATOM 703 CZ ARG A 91 2.989 -1.954 32.910 1.00 26.21 C +ATOM 704 NH1 ARG A 91 4.297 -2.130 32.817 1.00 24.92 N +ATOM 705 NH2 ARG A 91 2.211 -2.967 33.294 1.00 25.02 N +ATOM 706 N VAL A 92 1.169 2.726 36.822 1.00 17.03 N +ATOM 707 CA VAL A 92 0.100 3.089 37.755 1.00 17.69 C +ATOM 708 C VAL A 92 0.347 4.475 38.341 1.00 17.92 C +ATOM 709 O VAL A 92 -0.566 5.286 38.368 1.00 19.44 O +ATOM 710 CB VAL A 92 -0.074 2.005 38.854 1.00 17.82 C +ATOM 711 CG1 VAL A 92 -1.076 2.439 39.957 1.00 19.35 C +ATOM 712 CG2 VAL A 92 -0.488 0.693 38.235 1.00 18.08 C +ATOM 713 N ARG A 93 1.577 4.781 38.756 1.00 18.56 N +ATOM 714 CA ARG A 93 1.822 6.094 39.386 1.00 19.31 C +ATOM 715 C ARG A 93 1.464 7.238 38.450 1.00 18.85 C +ATOM 716 O ARG A 93 0.774 8.195 38.855 1.00 18.63 O +ATOM 717 CB ARG A 93 3.268 6.207 39.871 1.00 20.43 C +ATOM 718 N GLY A 94 1.861 7.115 37.179 1.00 19.43 N +ATOM 719 CA GLY A 94 1.582 8.170 36.193 1.00 18.71 C +ATOM 720 C GLY A 94 0.098 8.357 35.985 1.00 18.67 C +ATOM 721 O GLY A 94 -0.443 9.474 36.033 1.00 19.94 O +ATOM 722 N LEU A 95 -0.592 7.255 35.734 1.00 18.40 N +ATOM 723 CA LEU A 95 -2.036 7.307 35.543 1.00 17.32 C +ATOM 724 C LEU A 95 -2.779 7.898 36.741 1.00 18.15 C +ATOM 725 O LEU A 95 -3.653 8.739 36.574 1.00 17.43 O +ATOM 726 CB LEU A 95 -2.562 5.906 35.221 1.00 17.42 C +ATOM 727 CG LEU A 95 -2.096 5.427 33.821 1.00 15.61 C +ATOM 728 CD1 LEU A 95 -2.185 3.882 33.823 1.00 13.68 C +ATOM 729 CD2 LEU A 95 -2.931 6.049 32.690 1.00 16.50 C +ATOM 730 N GLU A 96 -2.442 7.445 37.936 1.00 20.48 N +ATOM 731 CA GLU A 96 -3.125 7.904 39.159 1.00 22.41 C +ATOM 732 C GLU A 96 -2.899 9.394 39.460 1.00 22.38 C +ATOM 733 O GLU A 96 -3.749 10.053 40.088 1.00 21.08 O +ATOM 734 CB GLU A 96 -2.693 7.063 40.353 1.00 23.14 C +ATOM 735 CG GLU A 96 -3.094 5.617 40.180 1.00 27.59 C +ATOM 736 CD GLU A 96 -3.045 4.804 41.460 1.00 33.59 C +ATOM 737 OE1 GLU A 96 -2.130 5.025 42.280 1.00 36.64 O +ATOM 738 OE2 GLU A 96 -3.923 3.915 41.616 1.00 37.25 O +ATOM 739 N THR A 97 -1.779 9.934 38.986 1.00 21.69 N +ATOM 740 CA THR A 97 -1.476 11.343 39.229 1.00 21.77 C +ATOM 741 C THR A 97 -2.337 12.218 38.322 1.00 22.12 C +ATOM 742 O THR A 97 -2.658 13.370 38.649 1.00 21.30 O +ATOM 743 CB THR A 97 0.049 11.602 39.040 1.00 21.52 C +ATOM 744 OG1 THR A 97 0.776 10.706 39.893 1.00 20.66 O +ATOM 745 CG2 THR A 97 0.428 13.038 39.378 1.00 23.34 C +ATOM 746 N GLY A 98 -2.753 11.663 37.184 1.00 20.22 N +ATOM 747 CA GLY A 98 -3.599 12.439 36.291 1.00 20.62 C +ATOM 748 C GLY A 98 -3.365 12.236 34.808 1.00 19.76 C +ATOM 749 O GLY A 98 -4.073 12.843 33.997 1.00 19.64 O +ATOM 750 N ALA A 99 -2.398 11.389 34.450 1.00 18.90 N +ATOM 751 CA ALA A 99 -2.089 11.101 33.037 1.00 19.63 C +ATOM 752 C ALA A 99 -3.283 10.399 32.408 1.00 19.96 C +ATOM 753 O ALA A 99 -3.912 9.531 33.022 1.00 21.41 O +ATOM 754 CB ALA A 99 -0.846 10.230 32.896 1.00 18.80 C +ATOM 755 N ASP A 100 -3.632 10.816 31.206 1.00 19.89 N +ATOM 756 CA ASP A 100 -4.713 10.169 30.468 1.00 19.70 C +ATOM 757 C ASP A 100 -4.249 8.865 29.809 1.00 18.71 C +ATOM 758 O ASP A 100 -5.056 7.977 29.539 1.00 18.67 O +ATOM 759 CB ASP A 100 -5.247 11.174 29.467 1.00 20.46 C +ATOM 760 CG ASP A 100 -5.767 12.429 30.162 1.00 24.49 C +ATOM 761 OD1 ASP A 100 -6.911 12.383 30.639 1.00 28.27 O +ATOM 762 OD2 ASP A 100 -5.032 13.431 30.269 1.00 26.85 O +ATOM 763 N ASP A 101 -2.945 8.747 29.572 1.00 16.89 N +ATOM 764 CA ASP A 101 -2.336 7.517 29.042 1.00 16.74 C +ATOM 765 C ASP A 101 -0.859 7.536 29.399 1.00 16.79 C +ATOM 766 O ASP A 101 -0.318 8.574 29.802 1.00 17.38 O +ATOM 767 CB ASP A 101 -2.535 7.429 27.507 1.00 17.00 C +ATOM 768 CG ASP A 101 -2.524 5.994 26.960 1.00 18.63 C +ATOM 769 OD1 ASP A 101 -1.921 5.082 27.572 1.00 16.76 O +ATOM 770 OD2 ASP A 101 -3.093 5.795 25.838 1.00 17.51 O +ATOM 771 N TYR A 102 -0.208 6.393 29.230 1.00 16.40 N +ATOM 772 CA TYR A 102 1.155 6.190 29.672 1.00 16.76 C +ATOM 773 C TYR A 102 1.781 5.195 28.710 1.00 16.72 C +ATOM 774 O TYR A 102 1.358 4.023 28.649 1.00 16.86 O +ATOM 775 CB TYR A 102 1.122 5.644 31.112 1.00 16.54 C +ATOM 776 CG TYR A 102 2.456 5.550 31.821 1.00 16.40 C +ATOM 777 CD1 TYR A 102 3.411 4.619 31.420 1.00 16.78 C +ATOM 778 CD2 TYR A 102 2.760 6.399 32.886 1.00 15.91 C +ATOM 779 CE1 TYR A 102 4.637 4.517 32.077 1.00 19.15 C +ATOM 780 CE2 TYR A 102 4.020 6.303 33.555 1.00 13.63 C +ATOM 781 CZ TYR A 102 4.936 5.358 33.118 1.00 17.90 C +ATOM 782 OH TYR A 102 6.157 5.212 33.765 1.00 18.94 O +ATOM 783 N ILE A 103 2.747 5.662 27.922 1.00 16.55 N +ATOM 784 CA ILE A 103 3.392 4.813 26.898 1.00 16.12 C +ATOM 785 C ILE A 103 4.866 4.637 27.213 1.00 16.59 C +ATOM 786 O ILE A 103 5.537 5.602 27.625 1.00 15.90 O +ATOM 787 CB ILE A 103 3.237 5.417 25.472 1.00 15.95 C +ATOM 788 CG1 ILE A 103 1.755 5.657 25.168 1.00 16.02 C +ATOM 789 CG2 ILE A 103 3.830 4.475 24.400 1.00 18.17 C +ATOM 790 CD1 ILE A 103 1.544 6.624 23.937 1.00 15.10 C +ATOM 791 N THR A 104 5.377 3.414 27.038 1.00 16.28 N +ATOM 792 CA THR A 104 6.763 3.115 27.438 1.00 16.20 C +ATOM 793 C THR A 104 7.678 3.155 26.215 1.00 16.98 C +ATOM 794 O THR A 104 7.246 2.799 25.120 1.00 16.68 O +ATOM 795 CB THR A 104 6.869 1.709 28.036 1.00 16.31 C +ATOM 796 OG1 THR A 104 6.284 0.790 27.105 1.00 17.08 O +ATOM 797 CG2 THR A 104 6.112 1.596 29.321 1.00 15.90 C +ATOM 798 N LYS A 105 8.916 3.607 26.407 1.00 17.37 N +ATOM 799 CA LYS A 105 9.964 3.536 25.385 1.00 18.84 C +ATOM 800 C LYS A 105 10.607 2.137 25.429 1.00 19.48 C +ATOM 801 O LYS A 105 10.813 1.601 26.508 1.00 21.27 O +ATOM 802 CB LYS A 105 11.072 4.563 25.668 1.00 18.97 C +ATOM 803 CG LYS A 105 10.750 6.042 25.422 1.00 19.02 C +ATOM 804 CD LYS A 105 11.882 6.919 25.994 1.00 17.30 C +ATOM 805 CE LYS A 105 11.482 8.356 25.970 1.00 14.28 C +ATOM 806 NZ LYS A 105 12.375 9.258 26.775 1.00 14.68 N +ATOM 807 N PRO A 106 10.983 1.563 24.269 1.00 20.03 N +ATOM 808 CA PRO A 106 10.798 2.004 22.904 1.00 20.02 C +ATOM 809 C PRO A 106 9.346 1.771 22.528 1.00 19.84 C +ATOM 810 O PRO A 106 8.709 0.875 23.089 1.00 21.13 O +ATOM 811 CB PRO A 106 11.737 1.077 22.095 1.00 20.03 C +ATOM 812 CG PRO A 106 11.848 -0.138 22.915 1.00 21.22 C +ATOM 813 CD PRO A 106 11.758 0.299 24.343 1.00 20.30 C +ATOM 814 N PHE A 107 8.846 2.617 21.625 1.00 18.76 N +ATOM 815 CA PHE A 107 7.457 2.666 21.247 1.00 19.30 C +ATOM 816 C PHE A 107 7.290 2.504 19.734 1.00 18.45 C +ATOM 817 O PHE A 107 8.206 2.723 18.946 1.00 18.54 O +ATOM 818 CB PHE A 107 6.847 4.017 21.679 1.00 18.25 C +ATOM 819 CG PHE A 107 7.533 5.213 21.103 1.00 18.31 C +ATOM 820 CD1 PHE A 107 7.126 5.759 19.895 1.00 19.81 C +ATOM 821 CD2 PHE A 107 8.583 5.835 21.795 1.00 20.52 C +ATOM 822 CE1 PHE A 107 7.751 6.870 19.371 1.00 18.90 C +ATOM 823 CE2 PHE A 107 9.188 6.960 21.265 1.00 20.22 C +ATOM 824 CZ PHE A 107 8.775 7.468 20.075 1.00 20.12 C +ATOM 825 N SER A 108 6.084 2.145 19.345 1.00 18.32 N +ATOM 826 CA SER A 108 5.682 2.141 17.966 1.00 17.47 C +ATOM 827 C SER A 108 5.123 3.517 17.622 1.00 16.68 C +ATOM 828 O SER A 108 4.190 3.988 18.327 1.00 17.24 O +ATOM 829 CB SER A 108 4.585 1.097 17.806 1.00 17.19 C +ATOM 830 OG SER A 108 3.699 1.476 16.758 1.00 19.90 O +ATOM 831 N PRO A 109 5.629 4.169 16.538 1.00 17.17 N +ATOM 832 CA PRO A 109 5.106 5.506 16.158 1.00 17.07 C +ATOM 833 C PRO A 109 3.627 5.500 15.771 1.00 17.51 C +ATOM 834 O PRO A 109 2.935 6.484 15.997 1.00 16.81 O +ATOM 835 CB PRO A 109 6.014 5.919 14.965 1.00 17.43 C +ATOM 836 CG PRO A 109 6.473 4.615 14.401 1.00 16.83 C +ATOM 837 CD PRO A 109 6.674 3.715 15.591 1.00 16.83 C +ATOM 838 N LYS A 110 3.147 4.388 15.212 1.00 18.20 N +ATOM 839 CA LYS A 110 1.702 4.166 14.966 1.00 18.75 C +ATOM 840 C LYS A 110 0.829 4.090 16.237 1.00 17.35 C +ATOM 841 O LYS A 110 -0.270 4.674 16.293 1.00 17.70 O +ATOM 842 CB LYS A 110 1.514 2.874 14.162 1.00 18.36 C +ATOM 843 CG LYS A 110 2.117 2.899 12.751 1.00 21.72 C +ATOM 844 CD LYS A 110 2.343 1.453 12.231 1.00 23.62 C +ATOM 845 CE LYS A 110 1.041 0.594 12.293 1.00 27.98 C +ATOM 846 NZ LYS A 110 1.310 -0.894 12.552 1.00 29.86 N +ATOM 847 N GLU A 111 1.283 3.343 17.240 1.00 16.43 N +ATOM 848 CA GLU A 111 0.586 3.299 18.506 1.00 15.97 C +ATOM 849 C GLU A 111 0.655 4.640 19.237 1.00 15.02 C +ATOM 850 O GLU A 111 -0.321 5.083 19.866 1.00 14.86 O +ATOM 851 CB GLU A 111 1.115 2.151 19.384 1.00 16.85 C +ATOM 852 CG GLU A 111 0.308 2.047 20.684 1.00 17.85 C +ATOM 853 CD GLU A 111 0.775 0.927 21.578 1.00 19.32 C +ATOM 854 OE1 GLU A 111 1.899 0.409 21.384 1.00 20.39 O +ATOM 855 OE2 GLU A 111 -0.010 0.562 22.470 1.00 22.01 O +ATOM 856 N LEU A 112 1.783 5.330 19.141 1.00 15.07 N +ATOM 857 CA LEU A 112 1.889 6.646 19.816 1.00 15.52 C +ATOM 858 C LEU A 112 0.821 7.595 19.284 1.00 14.72 C +ATOM 859 O LEU A 112 0.013 8.163 20.038 1.00 14.79 O +ATOM 860 CB LEU A 112 3.318 7.237 19.655 1.00 15.44 C +ATOM 861 CG LEU A 112 3.442 8.718 20.050 1.00 15.80 C +ATOM 862 CD1 LEU A 112 3.096 8.949 21.556 1.00 17.75 C +ATOM 863 CD2 LEU A 112 4.827 9.291 19.709 1.00 15.51 C +ATOM 864 N VAL A 113 0.779 7.728 17.962 1.00 14.32 N +ATOM 865 CA VAL A 113 -0.203 8.583 17.313 1.00 14.71 C +ATOM 866 C VAL A 113 -1.661 8.125 17.584 1.00 14.04 C +ATOM 867 O VAL A 113 -2.545 8.959 17.829 1.00 11.86 O +ATOM 868 CB VAL A 113 0.130 8.730 15.814 1.00 14.58 C +ATOM 869 CG1 VAL A 113 -1.004 9.343 15.052 1.00 16.02 C +ATOM 870 CG2 VAL A 113 1.475 9.541 15.624 1.00 14.11 C +ATOM 871 N ALA A 114 -1.905 6.805 17.547 1.00 14.16 N +ATOM 872 CA ALA A 114 -3.235 6.248 17.807 1.00 14.01 C +ATOM 873 C ALA A 114 -3.757 6.589 19.203 1.00 14.62 C +ATOM 874 O ALA A 114 -4.963 6.886 19.384 1.00 14.29 O +ATOM 875 CB ALA A 114 -3.205 4.712 17.612 1.00 14.25 C +ATOM 876 N ARG A 115 -2.869 6.468 20.205 1.00 14.87 N +ATOM 877 CA ARG A 115 -3.219 6.847 21.583 1.00 14.20 C +ATOM 878 C ARG A 115 -3.442 8.332 21.741 1.00 15.04 C +ATOM 879 O ARG A 115 -4.400 8.758 22.415 1.00 15.52 O +ATOM 880 CB ARG A 115 -2.197 6.285 22.569 1.00 14.15 C +ATOM 881 CG ARG A 115 -2.153 4.747 22.562 1.00 13.02 C +ATOM 882 CD ARG A 115 -1.147 4.143 23.593 1.00 14.12 C +ATOM 883 NE ARG A 115 -1.388 2.724 23.738 1.00 14.95 N +ATOM 884 CZ ARG A 115 -2.320 2.194 24.520 1.00 13.81 C +ATOM 885 NH1 ARG A 115 -3.063 2.969 25.285 1.00 12.40 N +ATOM 886 NH2 ARG A 115 -2.487 0.871 24.561 1.00 15.05 N +ATOM 887 N ILE A 116 -2.596 9.156 21.118 1.00 15.65 N +ATOM 888 CA ILE A 116 -2.813 10.610 21.198 1.00 17.24 C +ATOM 889 C ILE A 116 -4.178 10.957 20.585 1.00 18.03 C +ATOM 890 O ILE A 116 -4.967 11.710 21.170 1.00 18.20 O +ATOM 891 CB ILE A 116 -1.674 11.374 20.483 1.00 17.73 C +ATOM 892 CG1 ILE A 116 -0.393 11.283 21.333 1.00 16.16 C +ATOM 893 CG2 ILE A 116 -2.104 12.805 20.122 1.00 18.55 C +ATOM 894 CD1 ILE A 116 0.860 11.743 20.585 1.00 17.27 C +ATOM 895 N LYS A 117 -4.467 10.413 19.402 1.00 18.56 N +ATOM 896 CA LYS A 117 -5.749 10.730 18.768 1.00 19.53 C +ATOM 897 C LYS A 117 -6.940 10.157 19.572 1.00 19.77 C +ATOM 898 O LYS A 117 -7.967 10.812 19.674 1.00 20.83 O +ATOM 899 CB LYS A 117 -5.788 10.325 17.298 1.00 19.35 C +ATOM 900 CG LYS A 117 -4.788 11.113 16.458 1.00 20.69 C +ATOM 901 CD LYS A 117 -4.663 10.579 15.066 1.00 23.42 C +ATOM 902 CE LYS A 117 -3.870 11.582 14.202 1.00 26.46 C +ATOM 903 NZ LYS A 117 -4.091 11.413 12.727 1.00 28.94 N +ATOM 904 N ALA A 118 -6.782 8.983 20.177 1.00 20.37 N +ATOM 905 CA ALA A 118 -7.835 8.441 21.059 1.00 21.37 C +ATOM 906 C ALA A 118 -8.152 9.396 22.206 1.00 22.00 C +ATOM 907 O ALA A 118 -9.324 9.742 22.481 1.00 22.42 O +ATOM 908 CB ALA A 118 -7.421 7.076 21.596 1.00 20.93 C +ATOM 909 N VAL A 119 -7.101 9.876 22.857 1.00 23.32 N +ATOM 910 CA VAL A 119 -7.258 10.852 23.919 1.00 24.30 C +ATOM 911 C VAL A 119 -7.930 12.138 23.390 1.00 26.62 C +ATOM 912 O VAL A 119 -8.899 12.635 23.977 1.00 26.45 O +ATOM 913 CB VAL A 119 -5.895 11.120 24.603 1.00 24.04 C +ATOM 914 CG1 VAL A 119 -6.009 12.262 25.622 1.00 23.09 C +ATOM 915 CG2 VAL A 119 -5.385 9.841 25.275 1.00 23.99 C +ATOM 916 N MET A 120 -7.431 12.669 22.280 1.00 28.29 N +ATOM 917 CA MET A 120 -8.019 13.858 21.634 1.00 32.57 C +ATOM 918 C MET A 120 -9.499 13.695 21.246 1.00 33.39 C +ATOM 919 O MET A 120 -10.231 14.674 21.215 1.00 34.27 O +ATOM 920 CB MET A 120 -7.212 14.250 20.378 1.00 31.57 C +ATOM 921 CG MET A 120 -5.701 14.398 20.577 1.00 34.34 C +ATOM 922 SD MET A 120 -5.008 16.023 20.265 1.00 37.80 S +ATOM 923 CE MET A 120 -5.754 16.806 21.687 1.00 34.49 C +ATOM 924 N ARG A 121 -9.923 12.473 20.917 1.00 35.65 N +ATOM 925 CA ARG A 121 -11.340 12.178 20.614 1.00 37.45 C +ATOM 926 C ARG A 121 -12.213 12.351 21.860 1.00 39.20 C +ATOM 927 O ARG A 121 -13.369 12.749 21.760 1.00 40.03 O +ATOM 928 CB ARG A 121 -11.536 10.751 20.039 1.00 37.28 C +ATOM 929 CG ARG A 121 -10.935 10.491 18.646 1.00 35.86 C +ATOM 930 CD ARG A 121 -11.462 9.173 18.016 1.00 36.28 C +ATOM 931 NE ARG A 121 -11.225 7.971 18.844 1.00 31.69 N +ATOM 932 CZ ARG A 121 -10.234 7.092 18.653 1.00 31.21 C +ATOM 933 NH1 ARG A 121 -9.371 7.248 17.643 1.00 28.16 N +ATOM 934 NH2 ARG A 121 -10.112 6.038 19.462 1.00 25.56 N +ATOM 935 N ARG A 122 -11.641 12.046 23.023 1.00 41.29 N +ATOM 936 CA ARG A 122 -12.308 12.164 24.322 1.00 42.94 C +ATOM 937 C ARG A 122 -12.316 13.554 24.965 1.00 43.81 C +ATOM 938 O ARG A 122 -12.472 13.664 26.191 1.00 44.78 O +ATOM 939 CB ARG A 122 -11.688 11.173 25.322 1.00 43.27 C +ATOM 940 CG ARG A 122 -12.413 9.849 25.454 1.00 44.58 C +ATOM 941 CD ARG A 122 -13.902 10.057 25.730 1.00 46.35 C +ATOM 942 NE ARG A 122 -14.708 8.870 25.440 1.00 46.95 N +ATOM 943 CZ ARG A 122 -15.026 8.458 24.218 1.00 46.97 C +ATOM 944 NH1 ARG A 122 -14.590 9.118 23.158 1.00 48.18 N +ATOM 945 NH2 ARG A 122 -15.763 7.372 24.053 1.00 47.49 N +ATOM 946 N ILE A 123 -12.130 14.613 24.182 1.00 44.34 N +ATOM 947 CA ILE A 123 -12.430 15.961 24.683 1.00 44.71 C +ATOM 948 C ILE A 123 -13.291 16.729 23.685 1.00 44.63 C +ATOM 949 O ILE A 123 -12.784 17.529 22.899 1.00 44.79 O +ATOM 950 CB ILE A 123 -11.176 16.842 25.053 1.00 44.90 C +ATOM 951 CG1 ILE A 123 -9.830 16.163 24.741 1.00 45.51 C +ATOM 952 CG2 ILE A 123 -11.308 17.388 26.507 1.00 45.08 C +ATOM 953 CD1 ILE A 123 -9.251 15.364 25.878 1.00 46.84 C +TER 954 ILE A 123 +END diff --git a/bench/main_benchmark/structures/SFB_AL_PKA_1ATPE_2CPKE/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_PKA_1ATPE_2CPKE/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7082ad19f4a776e9ae1b114753af20b0e740104a --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_PKA_1ATPE_2CPKE/state_a.pdb @@ -0,0 +1,2758 @@ +ATOM 1 N VAL E 15 -6.512 -12.177 -13.595 1.00 64.39 N +ATOM 2 CA VAL E 15 -5.276 -11.431 -13.476 1.00 47.83 C +ATOM 3 C VAL E 15 -4.815 -10.815 -14.785 1.00 35.56 C +ATOM 4 O VAL E 15 -4.806 -9.592 -14.904 1.00 99.02 O +ATOM 5 CB VAL E 15 -4.193 -12.092 -12.629 1.00100.00 C +ATOM 6 CG1 VAL E 15 -2.823 -11.529 -12.987 1.00 50.97 C +ATOM 7 CG2 VAL E 15 -4.494 -11.830 -11.149 1.00 35.72 C +ATOM 8 N LYS E 16 -4.475 -11.641 -15.778 1.00 35.94 N +ATOM 9 CA LYS E 16 -4.060 -11.108 -17.074 1.00 55.13 C +ATOM 10 C LYS E 16 -5.100 -10.105 -17.531 1.00 59.23 C +ATOM 11 O LYS E 16 -4.877 -9.036 -18.103 1.00 35.80 O +ATOM 12 CB LYS E 16 -3.916 -12.209 -18.110 1.00 47.57 C +ATOM 13 CG LYS E 16 -2.850 -11.886 -19.158 1.00100.00 C +ATOM 14 CD LYS E 16 -1.491 -12.525 -18.888 1.00 94.01 C +ATOM 15 CE LYS E 16 -0.665 -11.794 -17.836 1.00100.00 C +ATOM 16 NZ LYS E 16 -0.505 -12.557 -16.586 1.00 89.11 N +ATOM 17 N GLU E 17 -6.278 -10.506 -17.222 1.00 46.28 N +ATOM 18 CA GLU E 17 -7.452 -9.768 -17.502 1.00 73.06 C +ATOM 19 C GLU E 17 -7.322 -8.347 -16.938 1.00 46.61 C +ATOM 20 O GLU E 17 -7.332 -7.346 -17.671 1.00 32.00 O +ATOM 21 CB GLU E 17 -8.575 -10.616 -16.862 1.00100.00 C +ATOM 22 CG GLU E 17 -8.356 -12.141 -17.142 1.00100.00 C +ATOM 23 CD GLU E 17 -7.798 -13.009 -16.015 1.00 91.73 C +ATOM 24 OE1 GLU E 17 -8.235 -12.995 -14.882 1.00 52.28 O +ATOM 25 OE2 GLU E 17 -6.824 -13.826 -16.389 1.00 38.71 O +ATOM 26 N PHE E 18 -7.181 -8.270 -15.609 1.00100.00 N +ATOM 27 CA PHE E 18 -7.050 -7.008 -14.884 1.00 25.33 C +ATOM 28 C PHE E 18 -5.978 -6.082 -15.467 1.00 18.77 C +ATOM 29 O PHE E 18 -6.204 -4.945 -15.911 1.00 42.08 O +ATOM 30 CB PHE E 18 -6.759 -7.267 -13.392 1.00 45.47 C +ATOM 31 CG PHE E 18 -6.523 -5.962 -12.692 1.00 57.92 C +ATOM 32 CD1 PHE E 18 -7.536 -5.003 -12.655 1.00 87.67 C +ATOM 33 CD2 PHE E 18 -5.291 -5.668 -12.107 1.00 43.65 C +ATOM 34 CE1 PHE E 18 -7.343 -3.774 -12.030 1.00 56.21 C +ATOM 35 CE2 PHE E 18 -5.088 -4.445 -11.469 1.00 13.42 C +ATOM 36 CZ PHE E 18 -6.110 -3.497 -11.436 1.00 99.47 C +ATOM 37 N LEU E 19 -4.789 -6.615 -15.444 1.00 25.01 N +ATOM 38 CA LEU E 19 -3.634 -5.937 -15.936 1.00 57.90 C +ATOM 39 C LEU E 19 -3.888 -5.316 -17.314 1.00 36.17 C +ATOM 40 O LEU E 19 -3.441 -4.191 -17.624 1.00 22.80 O +ATOM 41 CB LEU E 19 -2.459 -6.934 -15.920 1.00 26.96 C +ATOM 42 CG LEU E 19 -1.499 -6.777 -14.726 1.00100.00 C +ATOM 43 CD1 LEU E 19 -2.165 -6.192 -13.498 1.00 21.18 C +ATOM 44 CD2 LEU E 19 -0.942 -8.123 -14.318 1.00 23.73 C +ATOM 45 N ALA E 20 -4.624 -6.063 -18.137 1.00 46.11 N +ATOM 46 CA ALA E 20 -4.955 -5.628 -19.488 1.00 30.37 C +ATOM 47 C ALA E 20 -5.528 -4.228 -19.456 1.00 60.33 C +ATOM 48 O ALA E 20 -5.016 -3.297 -20.077 1.00 39.81 O +ATOM 49 CB ALA E 20 -5.936 -6.595 -20.132 1.00100.00 C +ATOM 50 N LYS E 21 -6.604 -4.117 -18.698 1.00 35.73 N +ATOM 51 CA LYS E 21 -7.307 -2.889 -18.527 1.00 21.49 C +ATOM 52 C LYS E 21 -6.412 -1.856 -17.917 1.00 22.86 C +ATOM 53 O LYS E 21 -6.486 -0.663 -18.236 1.00 36.77 O +ATOM 54 CB LYS E 21 -8.514 -3.116 -17.640 1.00 36.64 C +ATOM 55 CG LYS E 21 -9.779 -3.359 -18.444 1.00100.00 C +ATOM 56 CD LYS E 21 -10.379 -2.078 -19.022 1.00100.00 C +ATOM 57 CE LYS E 21 -11.794 -2.262 -19.578 1.00100.00 C +ATOM 58 NZ LYS E 21 -11.852 -3.014 -20.848 1.00100.00 N +ATOM 59 N ALA E 22 -5.570 -2.359 -17.018 1.00 47.73 N +ATOM 60 CA ALA E 22 -4.635 -1.532 -16.303 1.00 42.43 C +ATOM 61 C ALA E 22 -3.651 -0.868 -17.229 1.00 32.95 C +ATOM 62 O ALA E 22 -3.344 0.330 -17.102 1.00 23.50 O +ATOM 63 CB ALA E 22 -3.932 -2.325 -15.235 1.00 25.69 C +ATOM 64 N LYS E 23 -3.161 -1.652 -18.170 1.00 44.30 N +ATOM 65 CA LYS E 23 -2.214 -1.113 -19.110 1.00 11.58 C +ATOM 66 C LYS E 23 -2.695 0.172 -19.794 1.00 40.32 C +ATOM 67 O LYS E 23 -1.919 1.124 -19.959 1.00 38.01 O +ATOM 68 CB LYS E 23 -1.587 -2.135 -20.053 1.00 30.95 C +ATOM 69 CG LYS E 23 -0.170 -1.728 -20.509 1.00 31.73 C +ATOM 70 CD LYS E 23 0.766 -2.903 -20.829 1.00 12.23 C +ATOM 71 CE LYS E 23 2.203 -2.482 -21.170 1.00 20.87 C +ATOM 72 NZ LYS E 23 2.563 -2.729 -22.576 1.00 50.91 N +ATOM 73 N GLU E 24 -3.980 0.209 -20.177 1.00 32.85 N +ATOM 74 CA GLU E 24 -4.555 1.385 -20.848 1.00 22.29 C +ATOM 75 C GLU E 24 -4.564 2.699 -20.047 1.00 42.05 C +ATOM 76 O GLU E 24 -4.196 3.734 -20.594 1.00 45.13 O +ATOM 77 CB GLU E 24 -5.925 1.088 -21.453 1.00 58.69 C +ATOM 78 CG GLU E 24 -6.072 -0.389 -21.842 1.00100.00 C +ATOM 79 CD GLU E 24 -6.810 -0.561 -23.140 1.00100.00 C +ATOM 80 OE1 GLU E 24 -6.453 -0.020 -24.181 1.00100.00 O +ATOM 81 OE2 GLU E 24 -7.871 -1.337 -23.021 1.00 73.68 O +ATOM 82 N ASP E 25 -4.982 2.669 -18.759 1.00 43.55 N +ATOM 83 CA ASP E 25 -4.999 3.887 -17.949 1.00 26.76 C +ATOM 84 C ASP E 25 -3.654 4.546 -18.075 1.00 31.24 C +ATOM 85 O ASP E 25 -3.495 5.640 -18.589 1.00 35.75 O +ATOM 86 CB ASP E 25 -5.141 3.611 -16.411 1.00100.00 C +ATOM 87 CG ASP E 25 -4.644 4.759 -15.500 1.00100.00 C +ATOM 88 OD1 ASP E 25 -5.270 5.805 -15.446 1.00 65.61 O +ATOM 89 OD2 ASP E 25 -3.507 4.542 -14.769 1.00 31.92 O +ATOM 90 N PHE E 26 -2.704 3.778 -17.543 1.00 25.72 N +ATOM 91 CA PHE E 26 -1.343 4.147 -17.448 1.00 54.72 C +ATOM 92 C PHE E 26 -0.863 4.831 -18.673 1.00 19.08 C +ATOM 93 O PHE E 26 -0.370 5.957 -18.630 1.00 35.72 O +ATOM 94 CB PHE E 26 -0.459 2.984 -17.007 1.00 19.65 C +ATOM 95 CG PHE E 26 0.995 3.327 -17.115 1.00 23.45 C +ATOM 96 CD1 PHE E 26 1.650 3.923 -16.039 1.00 8.06 C +ATOM 97 CD2 PHE E 26 1.718 3.067 -18.281 1.00 21.85 C +ATOM 98 CE1 PHE E 26 3.006 4.252 -16.136 1.00 9.56 C +ATOM 99 CE2 PHE E 26 3.081 3.369 -18.382 1.00 16.79 C +ATOM 100 CZ PHE E 26 3.725 3.965 -17.299 1.00 12.41 C +ATOM 101 N LEU E 27 -1.033 4.138 -19.758 1.00 14.50 N +ATOM 102 CA LEU E 27 -0.603 4.675 -21.016 1.00 56.30 C +ATOM 103 C LEU E 27 -1.134 6.071 -21.249 1.00 40.02 C +ATOM 104 O LEU E 27 -0.405 7.006 -21.535 1.00 32.17 O +ATOM 105 CB LEU E 27 -1.013 3.746 -22.149 1.00 33.59 C +ATOM 106 CG LEU E 27 0.149 2.927 -22.680 1.00 35.32 C +ATOM 107 CD1 LEU E 27 1.478 3.534 -22.234 1.00 42.15 C +ATOM 108 CD2 LEU E 27 0.008 1.486 -22.198 1.00 23.25 C +ATOM 109 N LYS E 28 -2.432 6.218 -21.113 1.00 29.31 N +ATOM 110 CA LYS E 28 -3.028 7.510 -21.333 1.00 13.60 C +ATOM 111 C LYS E 28 -2.373 8.565 -20.484 1.00 16.10 C +ATOM 112 O LYS E 28 -2.063 9.646 -20.947 1.00 35.47 O +ATOM 113 CB LYS E 28 -4.536 7.501 -21.184 1.00 45.22 C +ATOM 114 CG LYS E 28 -5.204 6.378 -21.961 1.00 91.35 C +ATOM 115 CD LYS E 28 -5.906 6.857 -23.222 1.00100.00 C +ATOM 116 CE LYS E 28 -5.326 6.256 -24.499 1.00100.00 C +ATOM 117 NZ LYS E 28 -4.440 7.172 -25.241 1.00100.00 N +ATOM 118 N LYS E 29 -2.172 8.244 -19.230 1.00 20.39 N +ATOM 119 CA LYS E 29 -1.533 9.193 -18.355 1.00 14.46 C +ATOM 120 C LYS E 29 -0.073 9.346 -18.713 1.00 38.12 C +ATOM 121 O LYS E 29 0.484 10.441 -18.665 1.00 21.58 O +ATOM 122 CB LYS E 29 -1.716 8.805 -16.920 1.00 23.78 C +ATOM 123 CG LYS E 29 -3.190 8.557 -16.583 1.00 22.39 C +ATOM 124 CD LYS E 29 -3.416 8.275 -15.106 1.00 50.53 C +ATOM 125 CE LYS E 29 -4.619 8.986 -14.507 1.00100.00 C +ATOM 126 NZ LYS E 29 -5.502 8.076 -13.752 1.00100.00 N +ATOM 127 N TRP E 30 0.534 8.235 -19.102 1.00 13.64 N +ATOM 128 CA TRP E 30 1.921 8.244 -19.473 1.00 17.41 C +ATOM 129 C TRP E 30 2.169 9.278 -20.542 1.00 27.45 C +ATOM 130 O TRP E 30 3.118 10.089 -20.426 1.00 21.76 O +ATOM 131 CB TRP E 30 2.330 6.868 -20.009 1.00 15.35 C +ATOM 132 CG TRP E 30 3.709 6.812 -20.607 1.00 30.81 C +ATOM 133 CD1 TRP E 30 3.994 6.727 -21.925 1.00 22.83 C +ATOM 134 CD2 TRP E 30 4.993 6.895 -19.931 1.00 17.41 C +ATOM 135 NE1 TRP E 30 5.352 6.702 -22.124 1.00 35.21 N +ATOM 136 CE2 TRP E 30 5.995 6.821 -20.914 1.00 53.24 C +ATOM 137 CE3 TRP E 30 5.384 7.013 -18.594 1.00 15.55 C +ATOM 138 CZ2 TRP E 30 7.357 6.822 -20.596 1.00 17.22 C +ATOM 139 CZ3 TRP E 30 6.724 7.029 -18.282 1.00 25.08 C +ATOM 140 CH2 TRP E 30 7.706 6.915 -19.267 1.00 45.68 C +ATOM 141 N GLU E 31 1.285 9.195 -21.578 1.00 17.58 N +ATOM 142 CA GLU E 31 1.291 10.054 -22.768 1.00 42.32 C +ATOM 143 C GLU E 31 0.989 11.522 -22.523 1.00 16.33 C +ATOM 144 O GLU E 31 1.596 12.404 -23.136 1.00 76.98 O +ATOM 145 CB GLU E 31 0.432 9.534 -23.928 1.00 52.50 C +ATOM 146 CG GLU E 31 0.362 8.005 -23.998 1.00100.00 C +ATOM 147 CD GLU E 31 0.915 7.429 -25.259 1.00100.00 C +ATOM 148 OE1 GLU E 31 0.055 7.483 -26.258 1.00 96.20 O +ATOM 149 OE2 GLU E 31 2.038 6.951 -25.320 1.00 98.06 O +ATOM 150 N THR E 32 0.042 11.783 -21.629 1.00 95.23 N +ATOM 151 CA THR E 32 -0.349 13.144 -21.293 1.00 14.13 C +ATOM 152 C THR E 32 -0.291 13.360 -19.791 1.00 34.92 C +ATOM 153 O THR E 32 -1.285 13.365 -19.069 1.00 45.19 O +ATOM 154 CB THR E 32 -1.699 13.556 -21.967 1.00 43.93 C +ATOM 155 OG1 THR E 32 -2.131 12.551 -22.893 1.00 35.19 O +ATOM 156 CG2 THR E 32 -1.533 14.872 -22.729 1.00 18.94 C +ATOM 157 N PRO E 33 0.931 13.513 -19.326 1.00 41.99 N +ATOM 158 CA PRO E 33 1.203 13.723 -17.938 1.00 37.35 C +ATOM 159 C PRO E 33 0.718 15.099 -17.515 1.00100.00 C +ATOM 160 O PRO E 33 0.745 16.037 -18.334 1.00 21.69 O +ATOM 161 CB PRO E 33 2.735 13.669 -17.818 1.00 14.27 C +ATOM 162 CG PRO E 33 3.320 13.724 -19.217 1.00100.00 C +ATOM 163 CD PRO E 33 2.154 13.594 -20.175 1.00 19.71 C +ATOM 164 N SER E 34 0.275 15.204 -16.248 1.00 62.63 N +ATOM 165 CA SER E 34 -0.206 16.475 -15.725 1.00 17.64 C +ATOM 166 C SER E 34 0.911 17.336 -15.147 1.00 91.45 C +ATOM 167 O SER E 34 1.930 16.835 -14.654 1.00 35.12 O +ATOM 168 CB SER E 34 -1.508 16.430 -14.938 1.00 51.20 C +ATOM 169 OG SER E 34 -1.239 16.443 -13.567 1.00 33.12 O +ATOM 170 N GLN E 35 0.686 18.638 -15.257 1.00 18.83 N +ATOM 171 CA GLN E 35 1.598 19.679 -14.850 1.00 83.48 C +ATOM 172 C GLN E 35 0.953 20.784 -14.015 1.00 30.01 C +ATOM 173 O GLN E 35 -0.220 21.081 -14.207 1.00 61.43 O +ATOM 174 CB GLN E 35 2.037 20.298 -16.174 1.00 30.71 C +ATOM 175 CG GLN E 35 3.418 19.829 -16.631 1.00 82.08 C +ATOM 176 CD GLN E 35 4.161 20.951 -17.306 1.00 40.25 C +ATOM 177 OE1 GLN E 35 3.712 21.480 -18.334 1.00 65.77 O +ATOM 178 NE2 GLN E 35 5.284 21.344 -16.707 1.00100.00 N +ATOM 179 N ASN E 36 1.745 21.397 -13.114 1.00 24.75 N +ATOM 180 CA ASN E 36 1.304 22.492 -12.228 1.00100.00 C +ATOM 181 C ASN E 36 -0.176 22.504 -11.821 1.00 25.06 C +ATOM 182 O ASN E 36 -1.000 23.292 -12.284 1.00 40.41 O +ATOM 183 CB ASN E 36 1.855 23.894 -12.585 1.00 34.00 C +ATOM 184 CG ASN E 36 3.169 24.166 -11.864 1.00100.00 C +ATOM 185 OD1 ASN E 36 4.226 23.614 -12.223 1.00 61.43 O +ATOM 186 ND2 ASN E 36 3.109 25.003 -10.826 1.00 90.99 N +ATOM 187 N THR E 37 -0.510 21.609 -10.918 1.00 43.44 N +ATOM 188 CA THR E 37 -1.859 21.509 -10.465 1.00 28.96 C +ATOM 189 C THR E 37 -2.059 22.260 -9.165 1.00 30.33 C +ATOM 190 O THR E 37 -3.074 22.075 -8.527 1.00 39.40 O +ATOM 191 CB THR E 37 -2.206 20.017 -10.338 1.00 65.75 C +ATOM 192 OG1 THR E 37 -1.015 19.295 -10.177 1.00 39.19 O +ATOM 193 CG2 THR E 37 -2.797 19.527 -11.640 1.00 25.69 C +ATOM 194 N ALA E 38 -1.089 23.101 -8.762 1.00 35.92 N +ATOM 195 CA ALA E 38 -1.208 23.853 -7.500 1.00 35.16 C +ATOM 196 C ALA E 38 -0.062 24.835 -7.226 1.00 40.10 C +ATOM 197 O ALA E 38 0.865 24.921 -8.017 1.00 45.44 O +ATOM 198 CB ALA E 38 -1.333 22.889 -6.334 1.00 19.11 C +ATOM 199 N GLN E 39 -0.133 25.575 -6.088 1.00 32.14 N +ATOM 200 CA GLN E 39 0.905 26.536 -5.715 1.00 18.44 C +ATOM 201 C GLN E 39 1.343 26.366 -4.295 1.00 19.28 C +ATOM 202 O GLN E 39 0.605 25.884 -3.440 1.00 23.26 O +ATOM 203 CB GLN E 39 0.524 28.009 -5.812 1.00 48.20 C +ATOM 204 CG GLN E 39 0.309 28.549 -7.213 1.00 45.50 C +ATOM 205 CD GLN E 39 -0.930 29.418 -7.244 1.00 30.31 C +ATOM 206 OE1 GLN E 39 -1.733 29.355 -8.193 1.00100.00 O +ATOM 207 NE2 GLN E 39 -1.111 30.201 -6.177 1.00 37.40 N +ATOM 208 N LEU E 40 2.565 26.794 -4.040 1.00 34.46 N +ATOM 209 CA LEU E 40 3.116 26.678 -2.701 1.00 47.32 C +ATOM 210 C LEU E 40 2.136 27.238 -1.696 1.00 26.47 C +ATOM 211 O LEU E 40 1.756 26.553 -0.763 1.00 32.52 O +ATOM 212 CB LEU E 40 4.484 27.393 -2.598 1.00 31.55 C +ATOM 213 CG LEU E 40 5.541 26.681 -1.763 1.00 31.49 C +ATOM 214 CD1 LEU E 40 6.287 27.704 -0.907 1.00 17.27 C +ATOM 215 CD2 LEU E 40 4.920 25.611 -0.876 1.00 33.77 C +ATOM 216 N ASP E 41 1.737 28.499 -1.964 1.00 32.94 N +ATOM 217 CA ASP E 41 0.826 29.328 -1.179 1.00 85.30 C +ATOM 218 C ASP E 41 -0.434 28.639 -0.682 1.00 25.48 C +ATOM 219 O ASP E 41 -0.925 28.935 0.412 1.00 40.17 O +ATOM 220 CB ASP E 41 0.525 30.687 -1.864 1.00 28.29 C +ATOM 221 CG ASP E 41 -0.472 30.594 -2.983 1.00100.00 C +ATOM 222 OD1 ASP E 41 -1.092 29.580 -3.221 1.00 54.16 O +ATOM 223 OD2 ASP E 41 -0.609 31.713 -3.661 1.00 86.00 O +ATOM 224 N GLN E 42 -0.960 27.730 -1.487 1.00 15.20 N +ATOM 225 CA GLN E 42 -2.155 27.011 -1.105 1.00 15.39 C +ATOM 226 C GLN E 42 -1.913 25.922 -0.057 1.00 24.32 C +ATOM 227 O GLN E 42 -2.784 25.088 0.144 1.00 17.42 O +ATOM 228 CB GLN E 42 -2.858 26.417 -2.338 1.00 20.47 C +ATOM 229 CG GLN E 42 -2.186 26.820 -3.676 1.00 27.09 C +ATOM 230 CD GLN E 42 -2.968 26.363 -4.912 1.00 37.54 C +ATOM 231 OE1 GLN E 42 -3.051 25.165 -5.213 1.00 43.09 O +ATOM 232 NE2 GLN E 42 -3.559 27.312 -5.637 1.00 45.62 N +ATOM 233 N PHE E 43 -0.758 25.899 0.609 1.00 33.75 N +ATOM 234 CA PHE E 43 -0.460 24.890 1.628 1.00 17.38 C +ATOM 235 C PHE E 43 0.208 25.516 2.795 1.00 98.41 C +ATOM 236 O PHE E 43 0.880 26.519 2.621 1.00 15.74 O +ATOM 237 CB PHE E 43 0.553 23.837 1.182 1.00 30.93 C +ATOM 238 CG PHE E 43 0.072 23.096 -0.015 1.00 32.01 C +ATOM 239 CD1 PHE E 43 -0.751 21.979 0.119 1.00 32.90 C +ATOM 240 CD2 PHE E 43 0.429 23.548 -1.280 1.00 25.76 C +ATOM 241 CE1 PHE E 43 -1.198 21.307 -1.012 1.00 7.78 C +ATOM 242 CE2 PHE E 43 -0.016 22.898 -2.423 1.00 32.36 C +ATOM 243 CZ PHE E 43 -0.828 21.777 -2.272 1.00 27.17 C +ATOM 244 N ASP E 44 0.051 24.884 3.954 1.00 29.19 N +ATOM 245 CA ASP E 44 0.670 25.357 5.177 1.00 23.46 C +ATOM 246 C ASP E 44 1.747 24.351 5.584 1.00 26.12 C +ATOM 247 O ASP E 44 1.438 23.167 5.731 1.00 30.52 O +ATOM 248 CB ASP E 44 -0.398 25.484 6.296 1.00 28.01 C +ATOM 249 CG ASP E 44 -1.043 26.847 6.364 1.00100.00 C +ATOM 250 OD1 ASP E 44 -0.437 27.914 6.307 1.00 36.02 O +ATOM 251 OD2 ASP E 44 -2.338 26.762 6.478 1.00 47.44 O +ATOM 252 N ARG E 45 3.004 24.807 5.734 1.00 56.00 N +ATOM 253 CA ARG E 45 4.093 23.912 6.110 1.00 24.19 C +ATOM 254 C ARG E 45 3.996 23.536 7.577 1.00 22.06 C +ATOM 255 O ARG E 45 3.912 24.383 8.477 1.00 76.30 O +ATOM 256 CB ARG E 45 5.477 24.448 5.841 1.00 43.54 C +ATOM 257 CG ARG E 45 6.337 24.143 7.069 1.00100.00 C +ATOM 258 CD ARG E 45 7.385 25.186 7.441 1.00100.00 C +ATOM 259 NE ARG E 45 8.663 24.527 7.666 1.00 44.70 N +ATOM 260 CZ ARG E 45 9.745 24.716 6.905 1.00100.00 C +ATOM 261 NH1 ARG E 45 9.719 25.580 5.861 1.00 32.80 N +ATOM 262 NH2 ARG E 45 10.874 24.021 7.209 1.00 24.16 N +ATOM 263 N ILE E 46 4.018 22.249 7.811 1.00 51.90 N +ATOM 264 CA ILE E 46 3.895 21.762 9.147 1.00 27.34 C +ATOM 265 C ILE E 46 5.158 21.190 9.770 1.00 39.49 C +ATOM 266 O ILE E 46 5.886 21.901 10.456 1.00 54.52 O +ATOM 267 CB ILE E 46 2.690 20.850 9.194 1.00 27.09 C +ATOM 268 CG1 ILE E 46 1.521 21.660 8.631 1.00 22.52 C +ATOM 269 CG2 ILE E 46 2.403 20.441 10.634 1.00 24.68 C +ATOM 270 CD1 ILE E 46 0.187 20.921 8.647 1.00 42.28 C +ATOM 271 N LYS E 47 5.392 19.908 9.522 1.00 33.76 N +ATOM 272 CA LYS E 47 6.537 19.181 10.036 1.00 46.17 C +ATOM 273 C LYS E 47 7.234 18.359 8.943 1.00 24.94 C +ATOM 274 O LYS E 47 6.683 18.009 7.891 1.00 31.24 O +ATOM 275 CB LYS E 47 6.157 18.296 11.248 1.00 25.33 C +ATOM 276 CG LYS E 47 7.356 17.892 12.126 1.00 94.99 C +ATOM 277 CD LYS E 47 7.096 16.737 13.111 1.00 35.66 C +ATOM 278 CE LYS E 47 8.164 15.620 13.090 1.00100.00 C +ATOM 279 NZ LYS E 47 7.872 14.416 12.249 1.00 46.39 N +ATOM 280 N THR E 48 8.481 18.035 9.212 1.00 93.29 N +ATOM 281 CA THR E 48 9.228 17.238 8.289 1.00 10.48 C +ATOM 282 C THR E 48 9.083 15.755 8.671 1.00 20.54 C +ATOM 283 O THR E 48 9.461 15.346 9.761 1.00 34.03 O +ATOM 284 CB THR E 48 10.696 17.688 8.147 1.00 46.57 C +ATOM 285 OG1 THR E 48 10.756 18.910 7.439 1.00 24.67 O +ATOM 286 CG2 THR E 48 11.520 16.640 7.406 1.00 14.79 C +ATOM 287 N LEU E 49 8.521 14.964 7.739 1.00 31.37 N +ATOM 288 CA LEU E 49 8.269 13.546 7.914 1.00 9.20 C +ATOM 289 C LEU E 49 9.418 12.623 7.712 1.00 33.42 C +ATOM 290 O LEU E 49 9.471 11.567 8.335 1.00 15.24 O +ATOM 291 CB LEU E 49 7.080 13.024 7.073 1.00 7.50 C +ATOM 292 CG LEU E 49 5.829 13.799 7.423 1.00 3.00 C +ATOM 293 CD1 LEU E 49 4.728 13.522 6.391 1.00 7.09 C +ATOM 294 CD2 LEU E 49 5.353 13.377 8.800 1.00 41.42 C +ATOM 295 N GLY E 50 10.301 13.000 6.819 1.00 12.95 N +ATOM 296 CA GLY E 50 11.421 12.150 6.532 1.00 18.08 C +ATOM 297 C GLY E 50 12.337 12.848 5.580 1.00 26.03 C +ATOM 298 O GLY E 50 12.021 13.940 5.097 1.00 15.48 O +ATOM 299 N THR E 51 13.468 12.205 5.329 1.00 20.55 N +ATOM 300 CA THR E 51 14.467 12.762 4.462 1.00 23.90 C +ATOM 301 C THR E 51 15.155 11.716 3.603 1.00 32.79 C +ATOM 302 O THR E 51 15.105 10.533 3.911 1.00 26.24 O +ATOM 303 CB THR E 51 15.477 13.518 5.377 1.00 33.35 C +ATOM 304 OG1 THR E 51 15.944 14.681 4.769 1.00 55.60 O +ATOM 305 CG2 THR E 51 16.648 12.650 5.825 1.00 45.27 C +ATOM 306 N GLY E 52 15.808 12.158 2.525 1.00 11.54 N +ATOM 307 CA GLY E 52 16.515 11.229 1.718 1.00 10.24 C +ATOM 308 C GLY E 52 17.793 11.811 1.120 1.00 27.79 C +ATOM 309 O GLY E 52 18.223 12.904 1.426 1.00 25.04 O +ATOM 310 N SER E 53 18.416 11.064 0.223 1.00 41.89 N +ATOM 311 CA SER E 53 19.623 11.550 -0.389 1.00 21.72 C +ATOM 312 C SER E 53 19.333 12.685 -1.309 1.00 20.23 C +ATOM 313 O SER E 53 20.253 13.404 -1.656 1.00 16.81 O +ATOM 314 CB SER E 53 20.369 10.506 -1.227 1.00 10.68 C +ATOM 315 OG SER E 53 21.224 9.698 -0.463 1.00 32.37 O +ATOM 316 N PHE E 54 18.074 12.798 -1.741 1.00 30.11 N +ATOM 317 CA PHE E 54 17.702 13.835 -2.662 1.00 13.06 C +ATOM 318 C PHE E 54 16.840 14.901 -2.119 1.00 39.65 C +ATOM 319 O PHE E 54 17.192 16.071 -2.246 1.00 27.86 O +ATOM 320 CB PHE E 54 17.100 13.280 -3.954 1.00 22.66 C +ATOM 321 CG PHE E 54 17.995 12.178 -4.417 1.00 15.76 C +ATOM 322 CD1 PHE E 54 19.206 12.472 -5.053 1.00 14.31 C +ATOM 323 CD2 PHE E 54 17.672 10.850 -4.138 1.00 34.85 C +ATOM 324 CE1 PHE E 54 20.066 11.445 -5.435 1.00 30.40 C +ATOM 325 CE2 PHE E 54 18.513 9.808 -4.533 1.00 24.10 C +ATOM 326 CZ PHE E 54 19.715 10.117 -5.180 1.00 15.88 C +ATOM 327 N GLY E 55 15.722 14.519 -1.548 1.00 39.66 N +ATOM 328 CA GLY E 55 14.897 15.583 -1.082 1.00 21.48 C +ATOM 329 C GLY E 55 14.286 15.376 0.253 1.00 13.42 C +ATOM 330 O GLY E 55 14.729 14.598 1.098 1.00 24.09 O +ATOM 331 N ARG E 56 13.263 16.163 0.423 1.00 58.10 N +ATOM 332 CA ARG E 56 12.591 16.118 1.691 1.00 25.83 C +ATOM 333 C ARG E 56 11.103 16.121 1.594 1.00 31.34 C +ATOM 334 O ARG E 56 10.510 16.699 0.681 1.00 25.67 O +ATOM 335 CB ARG E 56 13.027 17.288 2.478 1.00 45.02 C +ATOM 336 CG ARG E 56 12.385 18.520 1.875 1.00100.00 C +ATOM 337 CD ARG E 56 12.800 19.652 2.652 1.00100.00 C +ATOM 338 NE ARG E 56 12.567 19.380 4.003 1.00100.00 N +ATOM 339 CZ ARG E 56 13.494 19.617 4.822 1.00 87.40 C +ATOM 340 NH1 ARG E 56 14.550 20.184 4.336 1.00 66.45 N +ATOM 341 NH2 ARG E 56 13.313 19.351 6.045 1.00 99.28 N +ATOM 342 N VAL E 57 10.530 15.502 2.633 1.00 24.70 N +ATOM 343 CA VAL E 57 9.100 15.305 2.758 1.00 77.26 C +ATOM 344 C VAL E 57 8.495 15.978 3.974 1.00 18.10 C +ATOM 345 O VAL E 57 8.811 15.677 5.133 1.00 21.15 O +ATOM 346 CB VAL E 57 8.724 13.845 2.750 1.00 25.69 C +ATOM 347 CG1 VAL E 57 7.205 13.668 2.731 1.00 15.23 C +ATOM 348 CG2 VAL E 57 9.375 13.206 1.550 1.00 36.09 C +ATOM 349 N MET E 58 7.575 16.886 3.695 1.00 50.79 N +ATOM 350 CA MET E 58 6.909 17.597 4.755 1.00 25.02 C +ATOM 351 C MET E 58 5.430 17.324 4.779 1.00 37.66 C +ATOM 352 O MET E 58 4.821 17.130 3.711 1.00 15.48 O +ATOM 353 CB MET E 58 7.054 19.136 4.602 1.00 15.81 C +ATOM 354 CG MET E 58 8.472 19.676 4.727 1.00 25.21 C +ATOM 355 SD MET E 58 8.463 21.425 5.189 1.00 36.97 S +ATOM 356 CE MET E 58 9.807 22.030 4.159 1.00 51.77 C +ATOM 357 N LEU E 59 4.891 17.353 6.023 1.00 28.68 N +ATOM 358 CA LEU E 59 3.460 17.225 6.302 1.00 22.25 C +ATOM 359 C LEU E 59 2.970 18.619 5.971 1.00 56.39 C +ATOM 360 O LEU E 59 3.511 19.585 6.489 1.00 17.19 O +ATOM 361 CB LEU E 59 3.145 17.045 7.794 1.00 16.75 C +ATOM 362 CG LEU E 59 1.884 16.227 8.070 1.00 23.26 C +ATOM 363 CD1 LEU E 59 1.356 16.551 9.462 1.00 15.32 C +ATOM 364 CD2 LEU E 59 0.815 16.448 7.004 1.00 34.97 C +ATOM 365 N VAL E 60 1.991 18.734 5.099 1.00 30.65 N +ATOM 366 CA VAL E 60 1.499 20.021 4.669 1.00 12.39 C +ATOM 367 C VAL E 60 -0.015 20.073 4.790 1.00 12.94 C +ATOM 368 O VAL E 60 -0.677 19.066 5.051 1.00 34.70 O +ATOM 369 CB VAL E 60 1.988 20.193 3.242 1.00 13.97 C +ATOM 370 CG1 VAL E 60 0.871 20.146 2.218 1.00 20.12 C +ATOM 371 CG2 VAL E 60 2.938 21.371 3.082 1.00 32.94 C +ATOM 372 N LYS E 61 -0.576 21.244 4.658 1.00 45.19 N +ATOM 373 CA LYS E 61 -1.999 21.268 4.785 1.00 17.44 C +ATOM 374 C LYS E 61 -2.613 22.145 3.768 1.00 38.97 C +ATOM 375 O LYS E 61 -2.231 23.305 3.632 1.00 19.65 O +ATOM 376 CB LYS E 61 -2.476 21.658 6.153 1.00 56.87 C +ATOM 377 CG LYS E 61 -3.942 22.008 6.128 1.00 22.06 C +ATOM 378 CD LYS E 61 -4.656 21.608 7.404 1.00 29.13 C +ATOM 379 CE LYS E 61 -5.614 22.683 7.901 1.00 78.18 C +ATOM 380 NZ LYS E 61 -6.933 22.157 8.281 1.00100.00 N +ATOM 381 N HIS E 62 -3.558 21.563 3.068 1.00 20.49 N +ATOM 382 CA HIS E 62 -4.287 22.274 2.049 1.00 32.78 C +ATOM 383 C HIS E 62 -5.327 23.145 2.753 1.00100.00 C +ATOM 384 O HIS E 62 -6.306 22.608 3.278 1.00 35.11 O +ATOM 385 CB HIS E 62 -4.983 21.244 1.177 1.00 59.32 C +ATOM 386 CG HIS E 62 -5.247 21.805 -0.151 1.00 18.49 C +ATOM 387 ND1 HIS E 62 -4.278 22.539 -0.812 1.00100.00 N +ATOM 388 CD2 HIS E 62 -6.365 21.750 -0.910 1.00 32.86 C +ATOM 389 CE1 HIS E 62 -4.809 22.908 -1.964 1.00 17.49 C +ATOM 390 NE2 HIS E 62 -6.060 22.458 -2.058 1.00 32.28 N +ATOM 391 N LYS E 63 -5.101 24.469 2.779 1.00 24.56 N +ATOM 392 CA LYS E 63 -5.976 25.416 3.467 1.00 42.95 C +ATOM 393 C LYS E 63 -7.422 25.542 2.999 1.00 24.60 C +ATOM 394 O LYS E 63 -8.347 25.593 3.822 1.00 52.17 O +ATOM 395 CB LYS E 63 -5.332 26.714 3.940 1.00 71.17 C +ATOM 396 CG LYS E 63 -5.628 27.869 3.001 1.00 55.27 C +ATOM 397 CD LYS E 63 -4.427 28.721 2.579 1.00100.00 C +ATOM 398 CE LYS E 63 -3.076 28.330 3.175 1.00 30.39 C +ATOM 399 NZ LYS E 63 -2.231 29.488 3.459 1.00 73.53 N +ATOM 400 N GLU E 64 -7.616 25.600 1.698 1.00 31.05 N +ATOM 401 CA GLU E 64 -8.938 25.698 1.096 1.00 61.85 C +ATOM 402 C GLU E 64 -9.764 24.456 1.456 1.00 69.18 C +ATOM 403 O GLU E 64 -10.948 24.554 1.789 1.00 52.73 O +ATOM 404 CB GLU E 64 -8.842 25.944 -0.431 1.00 90.67 C +ATOM 405 CG GLU E 64 -7.567 25.349 -1.092 1.00100.00 C +ATOM 406 CD GLU E 64 -6.236 25.954 -0.671 1.00100.00 C +ATOM 407 OE1 GLU E 64 -5.816 27.035 -1.070 1.00100.00 O +ATOM 408 OE2 GLU E 64 -5.584 25.189 0.186 1.00 90.42 O +ATOM 409 N SER E 65 -9.096 23.284 1.414 1.00 34.39 N +ATOM 410 CA SER E 65 -9.661 21.952 1.737 1.00 15.95 C +ATOM 411 C SER E 65 -9.592 21.514 3.227 1.00 27.46 C +ATOM 412 O SER E 65 -10.557 21.015 3.789 1.00 36.39 O +ATOM 413 CB SER E 65 -8.964 20.879 0.900 1.00 69.03 C +ATOM 414 OG SER E 65 -8.199 20.027 1.738 1.00 46.76 O +ATOM 415 N GLY E 66 -8.432 21.656 3.877 1.00 25.32 N +ATOM 416 CA GLY E 66 -8.294 21.240 5.266 1.00 25.70 C +ATOM 417 C GLY E 66 -7.734 19.818 5.345 1.00 38.36 C +ATOM 418 O GLY E 66 -7.767 19.132 6.362 1.00 23.18 O +ATOM 419 N ASN E 67 -7.219 19.370 4.222 1.00 37.06 N +ATOM 420 CA ASN E 67 -6.657 18.056 4.121 1.00 42.98 C +ATOM 421 C ASN E 67 -5.171 18.104 4.319 1.00 38.14 C +ATOM 422 O ASN E 67 -4.483 19.089 4.003 1.00 31.48 O +ATOM 423 CB ASN E 67 -6.925 17.453 2.724 1.00 41.51 C +ATOM 424 CG ASN E 67 -8.341 16.938 2.570 1.00 54.12 C +ATOM 425 OD1 ASN E 67 -8.955 16.520 3.549 1.00 37.23 O +ATOM 426 ND2 ASN E 67 -8.871 16.954 1.352 1.00 30.12 N +ATOM 427 N HIS E 68 -4.661 17.016 4.850 1.00 25.44 N +ATOM 428 CA HIS E 68 -3.237 16.961 5.011 1.00 25.79 C +ATOM 429 C HIS E 68 -2.715 16.141 3.859 1.00 20.77 C +ATOM 430 O HIS E 68 -3.452 15.333 3.304 1.00 35.20 O +ATOM 431 CB HIS E 68 -2.770 16.341 6.300 1.00 13.68 C +ATOM 432 CG HIS E 68 -3.211 17.059 7.504 1.00 46.12 C +ATOM 433 ND1 HIS E 68 -2.392 17.993 8.107 1.00 45.15 N +ATOM 434 CD2 HIS E 68 -4.370 16.956 8.208 1.00 38.02 C +ATOM 435 CE1 HIS E 68 -3.062 18.457 9.153 1.00 4.36 C +ATOM 436 NE2 HIS E 68 -4.257 17.858 9.231 1.00 32.68 N +ATOM 437 N TYR E 69 -1.456 16.370 3.514 1.00 23.18 N +ATOM 438 CA TYR E 69 -0.774 15.681 2.437 1.00 10.13 C +ATOM 439 C TYR E 69 0.711 15.579 2.749 1.00 24.72 C +ATOM 440 O TYR E 69 1.180 16.108 3.741 1.00 24.10 O +ATOM 441 CB TYR E 69 -0.950 16.421 1.098 1.00100.00 C +ATOM 442 CG TYR E 69 -2.369 16.470 0.581 1.00 43.84 C +ATOM 443 CD1 TYR E 69 -3.038 15.296 0.231 1.00 20.37 C +ATOM 444 CD2 TYR E 69 -3.036 17.692 0.444 1.00 40.74 C +ATOM 445 CE1 TYR E 69 -4.349 15.344 -0.247 1.00 54.87 C +ATOM 446 CE2 TYR E 69 -4.344 17.757 -0.040 1.00 17.63 C +ATOM 447 CZ TYR E 69 -4.999 16.574 -0.383 1.00 22.97 C +ATOM 448 OH TYR E 69 -6.285 16.625 -0.858 1.00 57.09 O +ATOM 449 N ALA E 70 1.453 14.906 1.887 1.00 63.87 N +ATOM 450 CA ALA E 70 2.883 14.770 2.074 1.00 19.38 C +ATOM 451 C ALA E 70 3.591 15.537 0.984 1.00 32.32 C +ATOM 452 O ALA E 70 3.497 15.137 -0.156 1.00 20.98 O +ATOM 453 CB ALA E 70 3.300 13.315 1.951 1.00 25.42 C +ATOM 454 N MET E 71 4.296 16.627 1.295 1.00 34.27 N +ATOM 455 CA MET E 71 4.971 17.359 0.214 1.00 10.51 C +ATOM 456 C MET E 71 6.437 17.026 0.001 1.00 66.04 C +ATOM 457 O MET E 71 7.265 17.210 0.884 1.00 14.10 O +ATOM 458 CB MET E 71 4.819 18.880 0.325 1.00 27.01 C +ATOM 459 CG MET E 71 5.309 19.650 -0.898 1.00 15.78 C +ATOM 460 SD MET E 71 5.246 21.433 -0.548 1.00 37.02 S +ATOM 461 CE MET E 71 3.507 21.692 -0.939 1.00 25.74 C +ATOM 462 N LYS E 72 6.763 16.558 -1.203 1.00 37.10 N +ATOM 463 CA LYS E 72 8.141 16.240 -1.519 1.00 11.74 C +ATOM 464 C LYS E 72 8.778 17.433 -2.258 1.00 14.00 C +ATOM 465 O LYS E 72 8.343 17.822 -3.350 1.00 34.31 O +ATOM 466 CB LYS E 72 8.321 14.833 -2.128 1.00 13.88 C +ATOM 467 CG LYS E 72 9.633 14.553 -2.874 1.00 12.25 C +ATOM 468 CD LYS E 72 10.047 13.080 -2.872 1.00 12.97 C +ATOM 469 CE LYS E 72 11.554 12.837 -3.024 1.00 28.07 C +ATOM 470 NZ LYS E 72 11.886 11.415 -3.274 1.00 20.99 N +ATOM 471 N ILE E 73 9.796 18.036 -1.605 1.00 13.87 N +ATOM 472 CA ILE E 73 10.500 19.167 -2.154 1.00 16.34 C +ATOM 473 C ILE E 73 11.843 18.759 -2.724 1.00 36.20 C +ATOM 474 O ILE E 73 12.604 18.077 -2.062 1.00 25.64 O +ATOM 475 CB ILE E 73 10.745 20.147 -1.045 1.00 10.90 C +ATOM 476 CG1 ILE E 73 9.466 20.240 -0.225 1.00 13.53 C +ATOM 477 CG2 ILE E 73 11.117 21.494 -1.628 1.00 45.65 C +ATOM 478 CD1 ILE E 73 9.538 21.094 1.013 1.00 22.75 C +ATOM 479 N LEU E 74 12.138 19.179 -3.948 1.00 23.23 N +ATOM 480 CA LEU E 74 13.413 18.868 -4.550 1.00 1.00 C +ATOM 481 C LEU E 74 14.082 20.186 -4.941 1.00 12.75 C +ATOM 482 O LEU E 74 13.493 20.978 -5.679 1.00 23.50 O +ATOM 483 CB LEU E 74 13.316 18.023 -5.834 1.00 12.93 C +ATOM 484 CG LEU E 74 13.154 16.513 -5.714 1.00 47.38 C +ATOM 485 CD1 LEU E 74 13.945 15.900 -4.565 1.00 12.60 C +ATOM 486 CD2 LEU E 74 11.687 16.160 -5.661 1.00 21.61 C +ATOM 487 N ASP E 75 15.327 20.402 -4.473 1.00 26.82 N +ATOM 488 CA ASP E 75 16.034 21.616 -4.834 1.00 25.35 C +ATOM 489 C ASP E 75 16.564 21.411 -6.199 1.00 17.08 C +ATOM 490 O ASP E 75 17.416 20.534 -6.383 1.00 40.74 O +ATOM 491 CB ASP E 75 17.237 21.958 -3.927 1.00 53.92 C +ATOM 492 CG ASP E 75 17.982 23.207 -4.380 1.00 31.13 C +ATOM 493 OD1 ASP E 75 18.693 23.043 -5.457 1.00 52.06 O +ATOM 494 OD2 ASP E 75 17.923 24.273 -3.807 1.00 41.17 O +ATOM 495 N LYS E 76 16.087 22.224 -7.134 1.00 31.53 N +ATOM 496 CA LYS E 76 16.522 22.140 -8.532 1.00 21.73 C +ATOM 497 C LYS E 76 18.045 22.066 -8.742 1.00 39.55 C +ATOM 498 O LYS E 76 18.553 21.279 -9.545 1.00 27.82 O +ATOM 499 CB LYS E 76 15.883 23.198 -9.418 1.00 16.29 C +ATOM 500 CG LYS E 76 14.389 23.356 -9.187 1.00 53.17 C +ATOM 501 CD LYS E 76 13.664 24.010 -10.354 1.00 23.93 C +ATOM 502 CE LYS E 76 13.452 25.511 -10.160 1.00100.00 C +ATOM 503 NZ LYS E 76 12.990 26.234 -11.369 1.00 12.25 N +ATOM 504 N GLN E 77 18.798 22.890 -8.035 1.00 25.28 N +ATOM 505 CA GLN E 77 20.249 22.857 -8.191 1.00 32.81 C +ATOM 506 C GLN E 77 20.892 21.572 -7.688 1.00 15.39 C +ATOM 507 O GLN E 77 21.768 20.992 -8.343 1.00 29.64 O +ATOM 508 CB GLN E 77 20.906 24.127 -7.670 1.00 22.08 C +ATOM 509 CG GLN E 77 20.051 25.351 -8.083 1.00 26.12 C +ATOM 510 CD GLN E 77 20.817 26.647 -8.021 1.00 37.45 C +ATOM 511 OE1 GLN E 77 21.116 27.144 -6.918 1.00 41.36 O +ATOM 512 NE2 GLN E 77 21.145 27.185 -9.198 1.00 58.16 N +ATOM 513 N LYS E 78 20.419 21.116 -6.530 1.00 28.29 N +ATOM 514 CA LYS E 78 20.875 19.888 -5.887 1.00 28.85 C +ATOM 515 C LYS E 78 20.647 18.673 -6.807 1.00 30.03 C +ATOM 516 O LYS E 78 21.490 17.793 -6.918 1.00 36.59 O +ATOM 517 CB LYS E 78 20.135 19.730 -4.573 1.00 40.70 C +ATOM 518 CG LYS E 78 20.906 18.939 -3.537 1.00 22.99 C +ATOM 519 CD LYS E 78 20.097 17.777 -2.989 1.00 44.78 C +ATOM 520 CE LYS E 78 19.997 17.773 -1.474 1.00 61.90 C +ATOM 521 NZ LYS E 78 20.649 16.599 -0.867 1.00 38.79 N +ATOM 522 N VAL E 79 19.483 18.653 -7.478 1.00 21.95 N +ATOM 523 CA VAL E 79 19.073 17.622 -8.430 1.00100.00 C +ATOM 524 C VAL E 79 20.042 17.561 -9.616 1.00 31.83 C +ATOM 525 O VAL E 79 20.448 16.484 -10.096 1.00 26.39 O +ATOM 526 CB VAL E 79 17.642 17.924 -8.899 1.00 17.69 C +ATOM 527 CG1 VAL E 79 17.216 17.025 -10.045 1.00 18.23 C +ATOM 528 CG2 VAL E 79 16.680 17.800 -7.699 1.00 12.37 C +ATOM 529 N VAL E 80 20.415 18.753 -10.081 1.00 16.43 N +ATOM 530 CA VAL E 80 21.335 18.903 -11.179 1.00 9.77 C +ATOM 531 C VAL E 80 22.718 18.412 -10.825 1.00 8.38 C +ATOM 532 O VAL E 80 23.357 17.763 -11.623 1.00 34.38 O +ATOM 533 CB VAL E 80 21.417 20.335 -11.617 1.00 39.56 C +ATOM 534 CG1 VAL E 80 22.562 20.461 -12.620 1.00 28.47 C +ATOM 535 CG2 VAL E 80 20.096 20.673 -12.278 1.00 20.28 C +ATOM 536 N LYS E 81 23.159 18.709 -9.609 1.00 42.79 N +ATOM 537 CA LYS E 81 24.469 18.313 -9.091 1.00 36.56 C +ATOM 538 C LYS E 81 24.643 16.811 -8.878 1.00 32.03 C +ATOM 539 O LYS E 81 25.744 16.279 -8.964 1.00 26.36 O +ATOM 540 CB LYS E 81 24.680 18.922 -7.700 1.00 25.98 C +ATOM 541 CG LYS E 81 25.591 20.132 -7.658 1.00 63.33 C +ATOM 542 CD LYS E 81 26.236 20.332 -6.298 1.00 99.63 C +ATOM 543 CE LYS E 81 25.234 20.434 -5.161 1.00 91.82 C +ATOM 544 NZ LYS E 81 25.528 19.481 -4.070 1.00 52.17 N +ATOM 545 N LEU E 82 23.561 16.135 -8.520 1.00 23.00 N +ATOM 546 CA LEU E 82 23.624 14.720 -8.239 1.00 22.94 C +ATOM 547 C LEU E 82 23.253 13.894 -9.445 1.00 28.69 C +ATOM 548 O LEU E 82 23.088 12.682 -9.380 1.00 11.06 O +ATOM 549 CB LEU E 82 22.859 14.372 -6.957 1.00 16.84 C +ATOM 550 CG LEU E 82 23.236 15.335 -5.823 1.00 17.56 C +ATOM 551 CD1 LEU E 82 22.306 15.152 -4.615 1.00 18.43 C +ATOM 552 CD2 LEU E 82 24.688 15.085 -5.427 1.00 27.98 C +ATOM 553 N LYS E 83 23.149 14.620 -10.555 1.00 16.27 N +ATOM 554 CA LYS E 83 22.817 14.065 -11.831 1.00 19.31 C +ATOM 555 C LYS E 83 21.488 13.351 -11.772 1.00 32.53 C +ATOM 556 O LYS E 83 21.390 12.223 -12.205 1.00 21.85 O +ATOM 557 CB LYS E 83 23.916 13.115 -12.297 1.00 40.99 C +ATOM 558 CG LYS E 83 25.338 13.671 -12.126 1.00 40.80 C +ATOM 559 CD LYS E 83 26.370 13.031 -13.055 1.00 45.07 C +ATOM 560 CE LYS E 83 27.475 12.261 -12.325 1.00100.00 C +ATOM 561 NZ LYS E 83 28.162 13.027 -11.253 1.00 40.32 N +ATOM 562 N GLN E 84 20.461 13.980 -11.230 1.00 20.61 N +ATOM 563 CA GLN E 84 19.222 13.260 -11.174 1.00 20.65 C +ATOM 564 C GLN E 84 18.144 13.902 -11.980 1.00 15.33 C +ATOM 565 O GLN E 84 16.965 13.636 -11.724 1.00 18.59 O +ATOM 566 CB GLN E 84 18.752 13.052 -9.731 1.00 2.48 C +ATOM 567 CG GLN E 84 19.831 12.449 -8.869 1.00 28.97 C +ATOM 568 CD GLN E 84 19.867 11.000 -9.192 1.00 30.86 C +ATOM 569 OE1 GLN E 84 18.789 10.413 -9.405 1.00 25.26 O +ATOM 570 NE2 GLN E 84 21.084 10.440 -9.253 1.00 29.23 N +ATOM 571 N ILE E 85 18.571 14.726 -12.928 1.00 24.54 N +ATOM 572 CA ILE E 85 17.653 15.425 -13.803 1.00 32.40 C +ATOM 573 C ILE E 85 16.677 14.469 -14.484 1.00 32.18 C +ATOM 574 O ILE E 85 15.464 14.612 -14.331 1.00 32.16 O +ATOM 575 CB ILE E 85 18.354 16.314 -14.841 1.00 23.72 C +ATOM 576 CG1 ILE E 85 19.215 17.401 -14.191 1.00 59.00 C +ATOM 577 CG2 ILE E 85 17.313 16.936 -15.772 1.00 27.50 C +ATOM 578 CD1 ILE E 85 20.228 18.039 -15.150 1.00 16.78 C +ATOM 579 N GLU E 86 17.202 13.490 -15.247 1.00 37.30 N +ATOM 580 CA GLU E 86 16.349 12.521 -15.936 1.00 18.07 C +ATOM 581 C GLU E 86 15.466 11.659 -14.996 1.00 43.72 C +ATOM 582 O GLU E 86 14.301 11.401 -15.276 1.00 32.15 O +ATOM 583 CB GLU E 86 17.120 11.648 -16.953 1.00 12.90 C +ATOM 584 CG GLU E 86 16.168 10.888 -17.921 1.00 20.25 C +ATOM 585 CD GLU E 86 15.684 11.679 -19.121 1.00100.00 C +ATOM 586 OE1 GLU E 86 16.282 12.831 -19.294 1.00 47.85 O +ATOM 587 OE2 GLU E 86 14.823 11.276 -19.873 1.00 26.06 O +ATOM 588 N HIS E 87 16.023 11.211 -13.868 1.00 14.16 N +ATOM 589 CA HIS E 87 15.300 10.398 -12.880 1.00 10.41 C +ATOM 590 C HIS E 87 14.160 11.099 -12.196 1.00 50.62 C +ATOM 591 O HIS E 87 13.208 10.428 -11.814 1.00 20.67 O +ATOM 592 CB HIS E 87 16.234 9.885 -11.768 1.00 19.35 C +ATOM 593 CG HIS E 87 17.242 8.925 -12.264 1.00 46.66 C +ATOM 594 ND1 HIS E 87 18.475 8.805 -11.657 1.00 17.78 N +ATOM 595 CD2 HIS E 87 17.177 8.048 -13.301 1.00 18.72 C +ATOM 596 CE1 HIS E 87 19.137 7.871 -12.339 1.00 11.01 C +ATOM 597 NE2 HIS E 87 18.391 7.383 -13.322 1.00 29.49 N +ATOM 598 N THR E 88 14.297 12.424 -12.016 1.00 22.40 N +ATOM 599 CA THR E 88 13.276 13.223 -11.360 1.00 15.98 C +ATOM 600 C THR E 88 12.069 13.305 -12.268 1.00 9.61 C +ATOM 601 O THR E 88 10.929 13.093 -11.869 1.00 21.20 O +ATOM 602 CB THR E 88 13.829 14.609 -10.916 1.00100.00 C +ATOM 603 OG1 THR E 88 14.838 14.429 -9.929 1.00 24.01 O +ATOM 604 CG2 THR E 88 12.737 15.530 -10.354 1.00 21.58 C +ATOM 605 N LEU E 89 12.357 13.605 -13.509 1.00 11.78 N +ATOM 606 CA LEU E 89 11.338 13.686 -14.538 1.00 28.45 C +ATOM 607 C LEU E 89 10.570 12.373 -14.587 1.00 15.53 C +ATOM 608 O LEU E 89 9.349 12.377 -14.611 1.00 29.71 O +ATOM 609 CB LEU E 89 11.971 13.989 -15.904 1.00 8.38 C +ATOM 610 CG LEU E 89 12.592 15.393 -15.989 1.00 35.18 C +ATOM 611 CD1 LEU E 89 13.195 15.644 -17.387 1.00 16.56 C +ATOM 612 CD2 LEU E 89 11.555 16.458 -15.639 1.00 10.88 C +ATOM 613 N ASN E 90 11.313 11.241 -14.570 1.00 16.76 N +ATOM 614 CA ASN E 90 10.726 9.899 -14.565 1.00 12.61 C +ATOM 615 C ASN E 90 9.814 9.714 -13.422 1.00 14.51 C +ATOM 616 O ASN E 90 8.700 9.216 -13.571 1.00 24.61 O +ATOM 617 CB ASN E 90 11.730 8.800 -14.271 1.00 16.39 C +ATOM 618 CG ASN E 90 12.574 8.537 -15.459 1.00 32.52 C +ATOM 619 OD1 ASN E 90 12.137 8.801 -16.592 1.00 23.81 O +ATOM 620 ND2 ASN E 90 13.781 8.045 -15.189 1.00 35.46 N +ATOM 621 N GLU E 91 10.335 10.085 -12.254 1.00 14.57 N +ATOM 622 CA GLU E 91 9.565 9.936 -11.033 1.00 56.46 C +ATOM 623 C GLU E 91 8.243 10.644 -11.042 1.00 26.28 C +ATOM 624 O GLU E 91 7.217 10.055 -10.707 1.00 25.78 O +ATOM 625 CB GLU E 91 10.354 10.142 -9.730 1.00 12.78 C +ATOM 626 CG GLU E 91 9.839 11.253 -8.824 1.00 39.16 C +ATOM 627 CD GLU E 91 10.609 11.333 -7.518 1.00 35.54 C +ATOM 628 OE1 GLU E 91 11.799 11.798 -7.613 1.00 8.23 O +ATOM 629 OE2 GLU E 91 10.181 11.021 -6.459 1.00 7.42 O +ATOM 630 N LYS E 92 8.240 11.900 -11.432 1.00 25.95 N +ATOM 631 CA LYS E 92 6.980 12.571 -11.442 1.00 14.02 C +ATOM 632 C LYS E 92 6.041 11.975 -12.476 1.00 33.75 C +ATOM 633 O LYS E 92 4.863 11.717 -12.227 1.00 15.51 O +ATOM 634 CB LYS E 92 7.119 14.073 -11.565 1.00 52.87 C +ATOM 635 CG LYS E 92 5.771 14.768 -11.598 1.00 38.86 C +ATOM 636 CD LYS E 92 5.215 14.853 -13.005 1.00 28.97 C +ATOM 637 CE LYS E 92 5.327 16.265 -13.567 1.00 25.64 C +ATOM 638 NZ LYS E 92 4.346 16.555 -14.620 1.00 35.80 N +ATOM 639 N ARG E 93 6.600 11.744 -13.647 1.00 23.30 N +ATOM 640 CA ARG E 93 5.903 11.171 -14.789 1.00 18.44 C +ATOM 641 C ARG E 93 5.266 9.819 -14.525 1.00 77.10 C +ATOM 642 O ARG E 93 4.133 9.560 -14.945 1.00 22.52 O +ATOM 643 CB ARG E 93 6.857 11.014 -15.943 1.00 29.48 C +ATOM 644 CG ARG E 93 6.071 10.709 -17.188 1.00 6.17 C +ATOM 645 CD ARG E 93 6.886 10.727 -18.473 1.00 59.85 C +ATOM 646 NE ARG E 93 6.095 10.298 -19.631 1.00 21.73 N +ATOM 647 CZ ARG E 93 6.560 10.340 -20.871 1.00100.00 C +ATOM 648 NH1 ARG E 93 7.787 10.781 -21.149 1.00 12.46 N +ATOM 649 NH2 ARG E 93 5.771 9.927 -21.855 1.00 16.53 N +ATOM 650 N ILE E 94 6.034 8.958 -13.851 1.00 12.81 N +ATOM 651 CA ILE E 94 5.590 7.635 -13.494 1.00 32.01 C +ATOM 652 C ILE E 94 4.545 7.667 -12.365 1.00 24.27 C +ATOM 653 O ILE E 94 3.488 7.049 -12.414 1.00 17.20 O +ATOM 654 CB ILE E 94 6.765 6.754 -13.077 1.00 42.77 C +ATOM 655 CG1 ILE E 94 7.780 6.592 -14.207 1.00 47.27 C +ATOM 656 CG2 ILE E 94 6.237 5.387 -12.681 1.00 22.11 C +ATOM 657 CD1 ILE E 94 8.697 5.385 -14.023 1.00 28.54 C +ATOM 658 N LEU E 95 4.825 8.404 -11.326 1.00 22.63 N +ATOM 659 CA LEU E 95 3.880 8.423 -10.248 1.00 28.89 C +ATOM 660 C LEU E 95 2.490 8.922 -10.610 1.00 27.05 C +ATOM 661 O LEU E 95 1.522 8.309 -10.196 1.00 24.45 O +ATOM 662 CB LEU E 95 4.453 9.050 -8.945 1.00 9.55 C +ATOM 663 CG LEU E 95 4.401 8.224 -7.642 1.00 70.81 C +ATOM 664 CD1 LEU E 95 4.108 9.124 -6.445 1.00 55.70 C +ATOM 665 CD2 LEU E 95 3.395 7.095 -7.666 1.00 20.99 C +ATOM 666 N GLN E 96 2.365 10.010 -11.384 1.00 23.17 N +ATOM 667 CA GLN E 96 1.031 10.509 -11.741 1.00 21.28 C +ATOM 668 C GLN E 96 0.129 9.526 -12.504 1.00 28.61 C +ATOM 669 O GLN E 96 -1.095 9.562 -12.379 1.00 47.48 O +ATOM 670 CB GLN E 96 1.084 11.882 -12.437 1.00 35.95 C +ATOM 671 CG GLN E 96 1.969 11.870 -13.706 1.00 17.16 C +ATOM 672 CD GLN E 96 1.184 11.932 -14.999 1.00100.00 C +ATOM 673 OE1 GLN E 96 0.326 12.811 -15.175 1.00 34.65 O +ATOM 674 NE2 GLN E 96 1.503 11.019 -15.924 1.00 21.63 N +ATOM 675 N ALA E 97 0.746 8.637 -13.285 1.00 40.25 N +ATOM 676 CA ALA E 97 0.031 7.659 -14.092 1.00 9.84 C +ATOM 677 C ALA E 97 -0.266 6.295 -13.473 1.00 8.84 C +ATOM 678 O ALA E 97 -1.127 5.562 -13.976 1.00 34.15 O +ATOM 679 CB ALA E 97 0.789 7.450 -15.404 1.00 12.41 C +ATOM 680 N VAL E 98 0.444 5.878 -12.433 1.00 21.53 N +ATOM 681 CA VAL E 98 0.119 4.548 -11.924 1.00 32.51 C +ATOM 682 C VAL E 98 -1.133 4.576 -11.076 1.00 63.44 C +ATOM 683 O VAL E 98 -1.548 5.638 -10.652 1.00 19.28 O +ATOM 684 CB VAL E 98 1.260 3.849 -11.190 1.00 18.47 C +ATOM 685 CG1 VAL E 98 2.405 3.500 -12.131 1.00 25.02 C +ATOM 686 CG2 VAL E 98 1.743 4.723 -10.025 1.00 11.83 C +ATOM 687 N ASN E 99 -1.719 3.411 -10.827 1.00 22.48 N +ATOM 688 CA ASN E 99 -2.921 3.314 -10.023 1.00 8.56 C +ATOM 689 C ASN E 99 -3.050 1.931 -9.481 1.00 28.69 C +ATOM 690 O ASN E 99 -3.515 0.989 -10.120 1.00 56.07 O +ATOM 691 CB ASN E 99 -4.185 3.729 -10.763 1.00 26.79 C +ATOM 692 CG ASN E 99 -5.320 4.026 -9.805 1.00 16.85 C +ATOM 693 OD1 ASN E 99 -6.483 3.685 -10.070 1.00100.00 O +ATOM 694 ND2 ASN E 99 -4.994 4.655 -8.679 1.00100.00 N +ATOM 695 N PHE E 100 -2.598 1.813 -8.277 1.00 21.42 N +ATOM 696 CA PHE E 100 -2.638 0.554 -7.644 1.00 16.62 C +ATOM 697 C PHE E 100 -2.909 0.728 -6.149 1.00 15.93 C +ATOM 698 O PHE E 100 -2.637 1.775 -5.548 1.00 21.60 O +ATOM 699 CB PHE E 100 -1.337 -0.186 -7.990 1.00 40.62 C +ATOM 700 CG PHE E 100 -1.483 -1.674 -7.933 1.00 21.99 C +ATOM 701 CD1 PHE E 100 -2.205 -2.364 -8.906 1.00 35.20 C +ATOM 702 CD2 PHE E 100 -0.904 -2.382 -6.880 1.00 3.48 C +ATOM 703 CE1 PHE E 100 -2.348 -3.750 -8.845 1.00 26.52 C +ATOM 704 CE2 PHE E 100 -1.030 -3.768 -6.808 1.00 67.43 C +ATOM 705 CZ PHE E 100 -1.744 -4.441 -7.799 1.00 7.07 C +ATOM 706 N PRO E 101 -3.473 -0.303 -5.544 1.00 20.67 N +ATOM 707 CA PRO E 101 -3.811 -0.239 -4.147 1.00 15.31 C +ATOM 708 C PRO E 101 -2.638 -0.211 -3.200 1.00 68.47 C +ATOM 709 O PRO E 101 -2.831 -0.055 -2.005 1.00 29.91 O +ATOM 710 CB PRO E 101 -4.691 -1.457 -3.848 1.00 25.45 C +ATOM 711 CG PRO E 101 -4.851 -2.246 -5.145 1.00 36.30 C +ATOM 712 CD PRO E 101 -4.079 -1.490 -6.221 1.00 21.07 C +ATOM 713 N PHE E 102 -1.428 -0.361 -3.704 1.00 18.95 N +ATOM 714 CA PHE E 102 -0.316 -0.352 -2.790 1.00 17.93 C +ATOM 715 C PHE E 102 0.740 0.688 -3.156 1.00 18.68 C +ATOM 716 O PHE E 102 1.904 0.570 -2.761 1.00 31.42 O +ATOM 717 CB PHE E 102 0.295 -1.753 -2.668 1.00 23.25 C +ATOM 718 CG PHE E 102 -0.702 -2.857 -2.418 1.00 27.55 C +ATOM 719 CD1 PHE E 102 -1.538 -2.820 -1.301 1.00 41.21 C +ATOM 720 CD2 PHE E 102 -0.789 -3.954 -3.279 1.00 42.21 C +ATOM 721 CE1 PHE E 102 -2.449 -3.844 -1.042 1.00 31.94 C +ATOM 722 CE2 PHE E 102 -1.697 -4.987 -3.041 1.00 33.02 C +ATOM 723 CZ PHE E 102 -2.527 -4.925 -1.921 1.00 33.60 C +ATOM 724 N LEU E 103 0.334 1.700 -3.919 1.00 18.11 N +ATOM 725 CA LEU E 103 1.241 2.784 -4.347 1.00 25.07 C +ATOM 726 C LEU E 103 0.749 4.089 -3.796 1.00 34.90 C +ATOM 727 O LEU E 103 -0.468 4.251 -3.772 1.00 23.48 O +ATOM 728 CB LEU E 103 1.213 2.937 -5.870 1.00 19.86 C +ATOM 729 CG LEU E 103 1.578 1.681 -6.608 1.00 5.17 C +ATOM 730 CD1 LEU E 103 1.628 1.988 -8.084 1.00 18.11 C +ATOM 731 CD2 LEU E 103 2.940 1.222 -6.120 1.00 19.87 C +ATOM 732 N VAL E 104 1.636 5.026 -3.375 1.00 28.23 N +ATOM 733 CA VAL E 104 1.105 6.294 -2.848 1.00 35.22 C +ATOM 734 C VAL E 104 0.451 7.030 -3.964 1.00 24.79 C +ATOM 735 O VAL E 104 0.854 6.823 -5.094 1.00 14.60 O +ATOM 736 CB VAL E 104 2.116 7.315 -2.360 1.00 26.72 C +ATOM 737 CG1 VAL E 104 2.360 7.256 -0.876 1.00 19.70 C +ATOM 738 CG2 VAL E 104 3.373 7.282 -3.201 1.00 17.28 C +ATOM 739 N LYS E 105 -0.501 7.908 -3.609 1.00 13.97 N +ATOM 740 CA LYS E 105 -1.217 8.740 -4.554 1.00 34.54 C +ATOM 741 C LYS E 105 -0.591 10.112 -4.586 1.00 22.19 C +ATOM 742 O LYS E 105 -0.361 10.710 -3.557 1.00 27.41 O +ATOM 743 CB LYS E 105 -2.683 8.936 -4.202 1.00 54.89 C +ATOM 744 CG LYS E 105 -3.554 7.695 -4.276 1.00 36.42 C +ATOM 745 CD LYS E 105 -5.032 8.002 -3.973 1.00100.00 C +ATOM 746 CE LYS E 105 -5.337 8.402 -2.520 1.00100.00 C +ATOM 747 NZ LYS E 105 -6.776 8.348 -2.160 1.00 42.23 N +ATOM 748 N LEU E 106 -0.319 10.587 -5.784 1.00 25.22 N +ATOM 749 CA LEU E 106 0.264 11.892 -6.021 1.00 29.95 C +ATOM 750 C LEU E 106 -0.887 12.823 -6.310 1.00 31.27 C +ATOM 751 O LEU E 106 -1.526 12.712 -7.346 1.00 31.23 O +ATOM 752 CB LEU E 106 1.132 11.862 -7.291 1.00 10.90 C +ATOM 753 CG LEU E 106 1.789 13.197 -7.655 1.00 23.81 C +ATOM 754 CD1 LEU E 106 2.686 13.688 -6.519 1.00 29.27 C +ATOM 755 CD2 LEU E 106 2.655 12.999 -8.905 1.00 22.51 C +ATOM 756 N GLU E 107 -1.157 13.722 -5.395 1.00 33.79 N +ATOM 757 CA GLU E 107 -2.246 14.654 -5.551 1.00 24.36 C +ATOM 758 C GLU E 107 -1.976 15.851 -6.465 1.00 33.74 C +ATOM 759 O GLU E 107 -2.775 16.106 -7.363 1.00 48.36 O +ATOM 760 CB GLU E 107 -2.772 15.095 -4.178 1.00 45.15 C +ATOM 761 CG GLU E 107 -3.514 13.964 -3.453 1.00100.00 C +ATOM 762 CD GLU E 107 -4.696 13.484 -4.244 1.00100.00 C +ATOM 763 OE1 GLU E 107 -5.146 14.082 -5.214 1.00100.00 O +ATOM 764 OE2 GLU E 107 -5.177 12.357 -3.786 1.00100.00 O +ATOM 765 N PHE E 108 -0.871 16.594 -6.206 1.00 19.21 N +ATOM 766 CA PHE E 108 -0.473 17.783 -6.965 1.00 24.46 C +ATOM 767 C PHE E 108 1.014 17.761 -7.197 1.00 32.38 C +ATOM 768 O PHE E 108 1.751 17.014 -6.528 1.00 19.42 O +ATOM 769 CB PHE E 108 -0.825 19.129 -6.248 1.00 28.45 C +ATOM 770 CG PHE E 108 -2.048 18.997 -5.375 1.00 16.23 C +ATOM 771 CD1 PHE E 108 -1.988 18.549 -4.051 1.00 34.34 C +ATOM 772 CD2 PHE E 108 -3.301 19.283 -5.917 1.00 54.42 C +ATOM 773 CE1 PHE E 108 -3.150 18.410 -3.282 1.00 19.96 C +ATOM 774 CE2 PHE E 108 -4.471 19.154 -5.168 1.00 58.58 C +ATOM 775 CZ PHE E 108 -4.391 18.714 -3.845 1.00 20.12 C +ATOM 776 N SER E 109 1.402 18.614 -8.141 1.00 19.70 N +ATOM 777 CA SER E 109 2.786 18.822 -8.539 1.00 35.56 C +ATOM 778 C SER E 109 2.968 20.206 -9.137 1.00 48.13 C +ATOM 779 O SER E 109 2.141 20.698 -9.892 1.00 30.56 O +ATOM 780 CB SER E 109 3.273 17.766 -9.496 1.00 12.02 C +ATOM 781 OG SER E 109 2.373 17.653 -10.596 1.00 45.29 O +ATOM 782 N PHE E 110 4.058 20.849 -8.791 1.00 28.72 N +ATOM 783 CA PHE E 110 4.308 22.172 -9.297 1.00 32.53 C +ATOM 784 C PHE E 110 5.711 22.523 -8.986 1.00 32.60 C +ATOM 785 O PHE E 110 6.322 21.893 -8.126 1.00 25.67 O +ATOM 786 CB PHE E 110 3.382 23.224 -8.669 1.00 6.39 C +ATOM 787 CG PHE E 110 3.414 23.260 -7.148 1.00 39.93 C +ATOM 788 CD1 PHE E 110 4.342 24.027 -6.442 1.00 48.93 C +ATOM 789 CD2 PHE E 110 2.487 22.522 -6.410 1.00 36.34 C +ATOM 790 CE1 PHE E 110 4.356 24.052 -5.045 1.00 47.71 C +ATOM 791 CE2 PHE E 110 2.481 22.534 -5.016 1.00 64.83 C +ATOM 792 CZ PHE E 110 3.420 23.304 -4.330 1.00 8.34 C +ATOM 793 N LYS E 111 6.207 23.523 -9.673 1.00 19.92 N +ATOM 794 CA LYS E 111 7.572 23.938 -9.441 1.00 30.38 C +ATOM 795 C LYS E 111 7.586 25.421 -9.272 1.00 74.73 C +ATOM 796 O LYS E 111 6.579 26.075 -9.500 1.00 17.99 O +ATOM 797 CB LYS E 111 8.495 23.539 -10.593 1.00 14.45 C +ATOM 798 CG LYS E 111 7.757 23.559 -11.928 1.00 11.98 C +ATOM 799 CD LYS E 111 8.638 23.852 -13.154 1.00 25.66 C +ATOM 800 CE LYS E 111 7.884 23.714 -14.472 1.00 27.00 C +ATOM 801 NZ LYS E 111 8.715 23.317 -15.616 1.00 27.95 N +ATOM 802 N ASP E 112 8.738 25.929 -8.884 1.00 19.68 N +ATOM 803 CA ASP E 112 8.937 27.344 -8.700 1.00 24.88 C +ATOM 804 C ASP E 112 10.345 27.731 -9.107 1.00 37.97 C +ATOM 805 O ASP E 112 11.092 26.906 -9.618 1.00 47.21 O +ATOM 806 CB ASP E 112 8.526 27.857 -7.319 1.00 17.46 C +ATOM 807 CG ASP E 112 9.429 27.414 -6.232 1.00 19.44 C +ATOM 808 OD1 ASP E 112 10.536 26.942 -6.433 1.00 42.06 O +ATOM 809 OD2 ASP E 112 8.894 27.578 -5.057 1.00 23.09 O +ATOM 810 N ASN E 113 10.706 28.975 -8.885 1.00 35.51 N +ATOM 811 CA ASN E 113 12.026 29.471 -9.245 1.00 24.17 C +ATOM 812 C ASN E 113 13.164 28.636 -8.723 1.00 43.38 C +ATOM 813 O ASN E 113 14.220 28.592 -9.349 1.00 34.42 O +ATOM 814 CB ASN E 113 12.225 30.896 -8.727 1.00100.00 C +ATOM 815 CG ASN E 113 11.984 32.004 -9.730 1.00 53.90 C +ATOM 816 OD1 ASN E 113 11.947 33.169 -9.329 1.00 55.87 O +ATOM 817 ND2 ASN E 113 11.824 31.676 -11.020 1.00 32.72 N +ATOM 818 N SER E 114 12.960 28.001 -7.566 1.00 24.00 N +ATOM 819 CA SER E 114 14.007 27.185 -6.976 1.00 31.88 C +ATOM 820 C SER E 114 13.699 25.713 -6.792 1.00 12.61 C +ATOM 821 O SER E 114 14.639 24.948 -6.617 1.00 47.33 O +ATOM 822 CB SER E 114 14.315 27.704 -5.595 1.00 19.81 C +ATOM 823 OG SER E 114 14.411 29.102 -5.655 1.00 41.31 O +ATOM 824 N ASN E 115 12.419 25.297 -6.780 1.00 22.05 N +ATOM 825 CA ASN E 115 12.195 23.884 -6.515 1.00 30.59 C +ATOM 826 C ASN E 115 11.097 23.202 -7.231 1.00 35.51 C +ATOM 827 O ASN E 115 10.296 23.842 -7.888 1.00 26.15 O +ATOM 828 CB ASN E 115 11.919 23.690 -5.027 1.00 41.72 C +ATOM 829 CG ASN E 115 12.851 24.521 -4.182 1.00 30.55 C +ATOM 830 OD1 ASN E 115 14.070 24.389 -4.295 1.00 40.02 O +ATOM 831 ND2 ASN E 115 12.293 25.406 -3.370 1.00 17.66 N +ATOM 832 N LEU E 116 11.106 21.868 -7.035 1.00 19.71 N +ATOM 833 CA LEU E 116 10.125 20.937 -7.601 1.00 11.35 C +ATOM 834 C LEU E 116 9.251 20.295 -6.494 1.00 20.96 C +ATOM 835 O LEU E 116 9.748 19.751 -5.515 1.00 22.80 O +ATOM 836 CB LEU E 116 10.814 19.811 -8.385 1.00 16.29 C +ATOM 837 CG LEU E 116 11.808 20.275 -9.450 1.00 37.53 C +ATOM 838 CD1 LEU E 116 12.399 19.027 -10.099 1.00 44.12 C +ATOM 839 CD2 LEU E 116 11.139 21.167 -10.507 1.00 15.92 C +ATOM 840 N TYR E 117 7.937 20.326 -6.635 1.00 17.66 N +ATOM 841 CA TYR E 117 7.104 19.742 -5.600 1.00 2.11 C +ATOM 842 C TYR E 117 6.143 18.666 -6.085 1.00 9.97 C +ATOM 843 O TYR E 117 5.576 18.729 -7.178 1.00 38.23 O +ATOM 844 CB TYR E 117 6.289 20.834 -4.858 1.00 25.84 C +ATOM 845 CG TYR E 117 7.046 22.095 -4.494 1.00 35.49 C +ATOM 846 CD1 TYR E 117 7.357 23.034 -5.478 1.00 16.99 C +ATOM 847 CD2 TYR E 117 7.434 22.349 -3.176 1.00 3.12 C +ATOM 848 CE1 TYR E 117 8.054 24.209 -5.187 1.00 9.69 C +ATOM 849 CE2 TYR E 117 8.106 23.530 -2.859 1.00 19.67 C +ATOM 850 CZ TYR E 117 8.411 24.451 -3.862 1.00 21.84 C +ATOM 851 OH TYR E 117 9.092 25.588 -3.547 1.00 31.47 O +ATOM 852 N MET E 118 5.952 17.671 -5.225 1.00 15.52 N +ATOM 853 CA MET E 118 5.054 16.576 -5.488 1.00 37.26 C +ATOM 854 C MET E 118 4.224 16.444 -4.262 1.00 13.94 C +ATOM 855 O MET E 118 4.750 16.166 -3.188 1.00 32.52 O +ATOM 856 CB MET E 118 5.791 15.269 -5.774 1.00 8.65 C +ATOM 857 CG MET E 118 6.845 15.491 -6.839 1.00 38.55 C +ATOM 858 SD MET E 118 7.545 13.943 -7.433 1.00 30.44 S +ATOM 859 CE MET E 118 9.249 14.222 -6.927 1.00 29.10 C +ATOM 860 N VAL E 119 2.929 16.671 -4.399 1.00 43.92 N +ATOM 861 CA VAL E 119 2.079 16.580 -3.233 1.00 62.19 C +ATOM 862 C VAL E 119 1.386 15.257 -3.233 1.00 36.25 C +ATOM 863 O VAL E 119 0.615 14.994 -4.147 1.00 14.03 O +ATOM 864 CB VAL E 119 1.118 17.770 -3.132 1.00 49.03 C +ATOM 865 CG1 VAL E 119 0.280 17.713 -1.842 1.00 11.97 C +ATOM 866 CG2 VAL E 119 1.963 19.032 -3.124 1.00 1.00 C +ATOM 867 N MET E 120 1.693 14.421 -2.243 1.00 6.22 N +ATOM 868 CA MET E 120 1.072 13.121 -2.164 1.00 35.40 C +ATOM 869 C MET E 120 0.244 12.966 -0.913 1.00 27.99 C +ATOM 870 O MET E 120 0.303 13.717 0.043 1.00 28.88 O +ATOM 871 CB MET E 120 2.037 11.890 -2.208 1.00 7.46 C +ATOM 872 CG MET E 120 3.294 12.019 -3.062 1.00 23.34 C +ATOM 873 SD MET E 120 4.694 11.122 -2.317 1.00 24.83 S +ATOM 874 CE MET E 120 5.513 12.462 -1.428 1.00 18.69 C +ATOM 875 N GLU E 121 -0.513 11.917 -0.950 1.00 14.64 N +ATOM 876 CA GLU E 121 -1.330 11.521 0.143 1.00 13.31 C +ATOM 877 C GLU E 121 -0.417 11.267 1.339 1.00 66.17 C +ATOM 878 O GLU E 121 0.705 10.758 1.227 1.00 21.01 O +ATOM 879 CB GLU E 121 -2.024 10.217 -0.312 1.00 15.28 C +ATOM 880 CG GLU E 121 -3.212 9.733 0.513 1.00 99.46 C +ATOM 881 CD GLU E 121 -3.358 8.267 0.265 1.00 84.54 C +ATOM 882 OE1 GLU E 121 -2.588 7.667 -0.481 1.00 52.31 O +ATOM 883 OE2 GLU E 121 -4.367 7.725 0.913 1.00100.00 O +ATOM 884 N TYR E 122 -0.887 11.623 2.511 1.00 30.12 N +ATOM 885 CA TYR E 122 -0.087 11.407 3.683 1.00 17.03 C +ATOM 886 C TYR E 122 -0.289 9.990 4.291 1.00100.00 C +ATOM 887 O TYR E 122 -1.382 9.668 4.729 1.00 35.40 O +ATOM 888 CB TYR E 122 -0.420 12.529 4.688 1.00 22.26 C +ATOM 889 CG TYR E 122 0.195 12.315 6.032 1.00 26.57 C +ATOM 890 CD1 TYR E 122 1.561 12.091 6.196 1.00 5.65 C +ATOM 891 CD2 TYR E 122 -0.618 12.346 7.159 1.00 32.16 C +ATOM 892 CE1 TYR E 122 2.086 11.891 7.474 1.00 22.76 C +ATOM 893 CE2 TYR E 122 -0.109 12.157 8.440 1.00 22.40 C +ATOM 894 CZ TYR E 122 1.251 11.924 8.586 1.00 28.25 C +ATOM 895 OH TYR E 122 1.775 11.721 9.839 1.00 32.15 O +ATOM 896 N VAL E 123 0.751 9.121 4.312 1.00 36.96 N +ATOM 897 CA VAL E 123 0.658 7.757 4.899 1.00 23.53 C +ATOM 898 C VAL E 123 1.193 7.779 6.331 1.00 26.16 C +ATOM 899 O VAL E 123 2.379 7.571 6.588 1.00 22.71 O +ATOM 900 CB VAL E 123 1.312 6.675 4.043 1.00 16.72 C +ATOM 901 CG1 VAL E 123 0.876 5.274 4.476 1.00 23.64 C +ATOM 902 CG2 VAL E 123 0.869 6.887 2.606 1.00 30.40 C +ATOM 903 N ALA E 124 0.277 8.059 7.264 1.00 12.97 N +ATOM 904 CA ALA E 124 0.541 8.224 8.688 1.00 24.53 C +ATOM 905 C ALA E 124 1.225 7.118 9.488 1.00 26.05 C +ATOM 906 O ALA E 124 1.922 7.395 10.462 1.00 46.01 O +ATOM 907 CB ALA E 124 -0.748 8.672 9.338 1.00 33.39 C +ATOM 908 N GLY E 125 1.015 5.876 9.074 1.00 26.24 N +ATOM 909 CA GLY E 125 1.555 4.691 9.734 1.00 73.92 C +ATOM 910 C GLY E 125 3.045 4.695 10.059 1.00 15.81 C +ATOM 911 O GLY E 125 3.471 4.006 10.976 1.00 27.29 O +ATOM 912 N GLY E 126 3.843 5.472 9.311 1.00 25.64 N +ATOM 913 CA GLY E 126 5.277 5.517 9.537 1.00 21.72 C +ATOM 914 C GLY E 126 5.973 4.596 8.556 1.00 23.87 C +ATOM 915 O GLY E 126 5.334 3.974 7.694 1.00 23.84 O +ATOM 916 N GLU E 127 7.291 4.505 8.648 1.00 25.19 N +ATOM 917 CA GLU E 127 8.003 3.603 7.739 1.00 1.00 C +ATOM 918 C GLU E 127 8.040 2.175 8.328 1.00100.00 C +ATOM 919 O GLU E 127 8.097 1.958 9.545 1.00 22.51 O +ATOM 920 CB GLU E 127 9.481 4.023 7.607 1.00 14.26 C +ATOM 921 CG GLU E 127 9.791 5.422 7.060 1.00 28.45 C +ATOM 922 CD GLU E 127 11.253 5.708 7.267 1.00 39.65 C +ATOM 923 OE1 GLU E 127 11.951 5.007 7.989 1.00 25.82 O +ATOM 924 OE2 GLU E 127 11.685 6.755 6.599 1.00 27.84 O +ATOM 925 N MET E 128 8.048 1.158 7.483 1.00 20.35 N +ATOM 926 CA MET E 128 8.115 -0.207 8.023 1.00 13.99 C +ATOM 927 C MET E 128 9.377 -0.327 8.874 1.00 4.46 C +ATOM 928 O MET E 128 9.470 -1.087 9.831 1.00 40.71 O +ATOM 929 CB MET E 128 8.239 -1.229 6.865 1.00 12.11 C +ATOM 930 CG MET E 128 8.403 -2.687 7.280 1.00 1.46 C +ATOM 931 SD MET E 128 8.833 -3.741 5.852 1.00 27.41 S +ATOM 932 CE MET E 128 7.207 -3.885 5.071 1.00 15.92 C +ATOM 933 N PHE E 129 10.348 0.453 8.457 1.00 11.02 N +ATOM 934 CA PHE E 129 11.680 0.526 9.033 1.00 19.07 C +ATOM 935 C PHE E 129 11.660 0.733 10.513 1.00 8.73 C +ATOM 936 O PHE E 129 12.178 -0.079 11.274 1.00 21.96 O +ATOM 937 CB PHE E 129 12.568 1.583 8.301 1.00 11.92 C +ATOM 938 CG PHE E 129 13.943 1.689 8.857 1.00 26.03 C +ATOM 939 CD1 PHE E 129 14.963 0.847 8.415 1.00 82.21 C +ATOM 940 CD2 PHE E 129 14.226 2.625 9.854 1.00 38.17 C +ATOM 941 CE1 PHE E 129 16.242 0.943 8.962 1.00 39.38 C +ATOM 942 CE2 PHE E 129 15.500 2.729 10.413 1.00 15.10 C +ATOM 943 CZ PHE E 129 16.504 1.872 9.971 1.00 24.16 C +ATOM 944 N SER E 130 11.028 1.838 10.901 1.00 13.36 N +ATOM 945 CA SER E 130 10.922 2.228 12.285 1.00 39.37 C +ATOM 946 C SER E 130 10.291 1.155 13.159 1.00 16.84 C +ATOM 947 O SER E 130 10.710 0.913 14.300 1.00 42.70 O +ATOM 948 CB SER E 130 10.249 3.583 12.410 1.00 15.55 C +ATOM 949 OG SER E 130 8.949 3.497 11.843 1.00 38.06 O +ATOM 950 N HIS E 131 9.266 0.516 12.620 1.00 16.19 N +ATOM 951 CA HIS E 131 8.572 -0.523 13.321 1.00 17.34 C +ATOM 952 C HIS E 131 9.436 -1.763 13.398 1.00 52.04 C +ATOM 953 O HIS E 131 9.607 -2.393 14.434 1.00 29.16 O +ATOM 954 CB HIS E 131 7.301 -0.869 12.556 1.00 20.76 C +ATOM 955 CG HIS E 131 6.397 0.292 12.561 1.00 25.72 C +ATOM 956 ND1 HIS E 131 5.766 0.696 13.726 1.00 37.68 N +ATOM 957 CD2 HIS E 131 6.036 1.134 11.558 1.00 42.99 C +ATOM 958 CE1 HIS E 131 5.030 1.759 13.404 1.00 14.08 C +ATOM 959 NE2 HIS E 131 5.171 2.049 12.115 1.00 46.05 N +ATOM 960 N LEU E 132 9.976 -2.117 12.260 1.00 20.20 N +ATOM 961 CA LEU E 132 10.831 -3.280 12.148 1.00 30.46 C +ATOM 962 C LEU E 132 11.987 -3.137 13.098 1.00 32.86 C +ATOM 963 O LEU E 132 12.176 -4.004 13.938 1.00 23.66 O +ATOM 964 CB LEU E 132 11.253 -3.472 10.700 1.00 7.80 C +ATOM 965 CG LEU E 132 12.259 -4.588 10.432 1.00 31.18 C +ATOM 966 CD1 LEU E 132 11.573 -5.952 10.504 1.00 9.78 C +ATOM 967 CD2 LEU E 132 12.882 -4.376 9.047 1.00 25.38 C +ATOM 968 N ARG E 133 12.731 -2.024 12.989 1.00 32.07 N +ATOM 969 CA ARG E 133 13.824 -1.797 13.912 1.00 53.57 C +ATOM 970 C ARG E 133 13.241 -1.815 15.318 1.00 31.15 C +ATOM 971 O ARG E 133 13.914 -2.217 16.253 1.00 37.64 O +ATOM 972 CB ARG E 133 14.518 -0.467 13.709 1.00 20.75 C +ATOM 973 CG ARG E 133 15.382 -0.376 12.471 1.00 19.06 C +ATOM 974 CD ARG E 133 16.659 -1.205 12.547 1.00 17.49 C +ATOM 975 NE ARG E 133 16.561 -2.270 11.580 1.00100.00 N +ATOM 976 CZ ARG E 133 17.096 -2.202 10.382 1.00 43.14 C +ATOM 977 NH1 ARG E 133 17.793 -1.161 9.973 1.00 44.40 N +ATOM 978 NH2 ARG E 133 16.919 -3.220 9.582 1.00 39.75 N +ATOM 979 N ARG E 134 11.990 -1.354 15.488 1.00 59.22 N +ATOM 980 CA ARG E 134 11.339 -1.346 16.801 1.00 23.39 C +ATOM 981 C ARG E 134 11.140 -2.676 17.522 1.00 84.58 C +ATOM 982 O ARG E 134 11.682 -2.947 18.624 1.00 24.14 O +ATOM 983 CB ARG E 134 10.740 -0.052 17.353 1.00 13.31 C +ATOM 984 CG ARG E 134 9.670 -0.293 18.413 1.00 39.61 C +ATOM 985 CD ARG E 134 8.529 0.726 18.433 1.00 20.12 C +ATOM 986 NE ARG E 134 7.221 0.092 18.203 1.00100.00 N +ATOM 987 CZ ARG E 134 6.599 0.033 17.017 1.00 21.72 C +ATOM 988 NH1 ARG E 134 7.122 0.553 15.909 1.00 75.35 N +ATOM 989 NH2 ARG E 134 5.422 -0.582 16.939 1.00 79.79 N +ATOM 990 N ILE E 135 10.364 -3.497 16.831 1.00 27.56 N +ATOM 991 CA ILE E 135 9.968 -4.831 17.207 1.00 33.71 C +ATOM 992 C ILE E 135 11.177 -5.744 17.131 1.00 24.00 C +ATOM 993 O ILE E 135 11.277 -6.737 17.844 1.00 48.51 O +ATOM 994 CB ILE E 135 8.897 -5.277 16.194 1.00 17.31 C +ATOM 995 CG1 ILE E 135 7.659 -4.388 16.271 1.00 33.27 C +ATOM 996 CG2 ILE E 135 8.523 -6.732 16.352 1.00 42.74 C +ATOM 997 CD1 ILE E 135 6.961 -4.213 14.925 1.00 88.07 C +ATOM 998 N GLY E 136 12.097 -5.392 16.235 1.00 32.57 N +ATOM 999 CA GLY E 136 13.296 -6.179 16.037 1.00 20.86 C +ATOM 1000 C GLY E 136 13.099 -7.215 14.936 1.00 23.62 C +ATOM 1001 O GLY E 136 14.004 -7.535 14.180 1.00 24.80 O +ATOM 1002 N ARG E 137 11.897 -7.755 14.844 1.00 37.96 N +ATOM 1003 CA ARG E 137 11.600 -8.736 13.814 1.00 22.76 C +ATOM 1004 C ARG E 137 10.117 -9.083 13.625 1.00 7.96 C +ATOM 1005 O ARG E 137 9.284 -8.946 14.530 1.00100.00 O +ATOM 1006 CB ARG E 137 12.547 -9.944 13.745 1.00 21.32 C +ATOM 1007 CG ARG E 137 12.064 -11.168 14.522 1.00 22.14 C +ATOM 1008 CD ARG E 137 13.015 -12.390 14.489 1.00 17.83 C +ATOM 1009 NE ARG E 137 12.288 -13.620 14.814 1.00100.00 N +ATOM 1010 CZ ARG E 137 11.446 -14.255 13.985 1.00100.00 C +ATOM 1011 NH1 ARG E 137 11.191 -13.840 12.730 1.00100.00 N +ATOM 1012 NH2 ARG E 137 10.840 -15.353 14.438 1.00 68.47 N +ATOM 1013 N PHE E 138 9.807 -9.536 12.399 1.00 25.00 N +ATOM 1014 CA PHE E 138 8.466 -9.923 12.086 1.00 18.66 C +ATOM 1015 C PHE E 138 8.358 -11.435 11.980 1.00 36.50 C +ATOM 1016 O PHE E 138 9.282 -12.135 11.493 1.00 12.03 O +ATOM 1017 CB PHE E 138 7.910 -9.250 10.826 1.00 17.48 C +ATOM 1018 CG PHE E 138 7.889 -7.749 10.887 1.00 20.71 C +ATOM 1019 CD1 PHE E 138 7.910 -7.068 12.100 1.00 20.45 C +ATOM 1020 CD2 PHE E 138 7.841 -7.000 9.712 1.00 9.53 C +ATOM 1021 CE1 PHE E 138 7.893 -5.672 12.156 1.00 7.70 C +ATOM 1022 CE2 PHE E 138 7.809 -5.605 9.743 1.00 34.40 C +ATOM 1023 CZ PHE E 138 7.842 -4.944 10.972 1.00 34.72 C +ATOM 1024 N SER E 139 7.209 -11.922 12.451 1.00 53.83 N +ATOM 1025 CA SER E 139 6.910 -13.335 12.410 1.00 18.04 C +ATOM 1026 C SER E 139 6.638 -13.671 10.978 1.00 29.16 C +ATOM 1027 O SER E 139 6.071 -12.852 10.232 1.00 40.59 O +ATOM 1028 CB SER E 139 5.748 -13.773 13.302 1.00 77.97 C +ATOM 1029 OG SER E 139 4.493 -13.317 12.813 1.00 19.69 O +ATOM 1030 N GLU E 140 7.058 -14.877 10.621 1.00 89.10 N +ATOM 1031 CA GLU E 140 6.902 -15.396 9.289 1.00 16.31 C +ATOM 1032 C GLU E 140 5.548 -15.000 8.614 1.00 18.86 C +ATOM 1033 O GLU E 140 5.476 -14.511 7.489 1.00 31.71 O +ATOM 1034 CB GLU E 140 7.165 -16.915 9.284 1.00 52.82 C +ATOM 1035 CG GLU E 140 8.650 -17.325 9.468 1.00 98.09 C +ATOM 1036 CD GLU E 140 9.084 -18.409 8.497 1.00 18.52 C +ATOM 1037 OE1 GLU E 140 8.316 -18.948 7.725 1.00 28.55 O +ATOM 1038 OE2 GLU E 140 10.373 -18.685 8.528 1.00 28.23 O +ATOM 1039 N PRO E 141 4.444 -15.221 9.320 1.00 19.48 N +ATOM 1040 CA PRO E 141 3.169 -14.903 8.771 1.00 31.10 C +ATOM 1041 C PRO E 141 2.958 -13.414 8.546 1.00 30.05 C +ATOM 1042 O PRO E 141 2.365 -13.029 7.548 1.00 32.86 O +ATOM 1043 CB PRO E 141 2.135 -15.510 9.719 1.00 38.02 C +ATOM 1044 CG PRO E 141 2.885 -16.300 10.775 1.00 24.16 C +ATOM 1045 CD PRO E 141 4.344 -15.996 10.587 1.00 50.65 C +ATOM 1046 N HIS E 142 3.437 -12.586 9.485 1.00 22.96 N +ATOM 1047 CA HIS E 142 3.317 -11.114 9.409 1.00 14.97 C +ATOM 1048 C HIS E 142 4.130 -10.564 8.232 1.00 29.06 C +ATOM 1049 O HIS E 142 3.784 -9.585 7.560 1.00 36.50 O +ATOM 1050 CB HIS E 142 3.833 -10.504 10.718 1.00 21.81 C +ATOM 1051 CG HIS E 142 3.814 -9.016 10.796 1.00 43.67 C +ATOM 1052 ND1 HIS E 142 4.125 -8.366 11.978 1.00 32.40 N +ATOM 1053 CD2 HIS E 142 3.511 -8.068 9.861 1.00 54.22 C +ATOM 1054 CE1 HIS E 142 4.019 -7.046 11.747 1.00 21.25 C +ATOM 1055 NE2 HIS E 142 3.653 -6.840 10.479 1.00 27.63 N +ATOM 1056 N ALA E 143 5.251 -11.220 7.988 1.00 22.44 N +ATOM 1057 CA ALA E 143 6.111 -10.824 6.903 1.00 38.85 C +ATOM 1058 C ALA E 143 5.506 -11.230 5.567 1.00 32.48 C +ATOM 1059 O ALA E 143 5.546 -10.490 4.583 1.00 39.97 O +ATOM 1060 CB ALA E 143 7.458 -11.489 7.092 1.00 4.06 C +ATOM 1061 N ARG E 144 4.953 -12.434 5.545 1.00 26.21 N +ATOM 1062 CA ARG E 144 4.334 -12.968 4.352 1.00 29.07 C +ATOM 1063 C ARG E 144 3.213 -12.048 3.875 1.00 9.07 C +ATOM 1064 O ARG E 144 2.912 -11.965 2.698 1.00 20.80 O +ATOM 1065 CB ARG E 144 3.938 -14.434 4.559 1.00 30.78 C +ATOM 1066 CG ARG E 144 2.651 -14.825 3.866 1.00 47.42 C +ATOM 1067 CD ARG E 144 2.373 -16.320 3.946 1.00 15.72 C +ATOM 1068 NE ARG E 144 3.451 -17.097 4.515 1.00 46.68 N +ATOM 1069 CZ ARG E 144 3.444 -17.606 5.754 1.00 17.43 C +ATOM 1070 NH1 ARG E 144 2.427 -17.435 6.611 1.00 43.91 N +ATOM 1071 NH2 ARG E 144 4.500 -18.311 6.160 1.00 38.19 N +ATOM 1072 N PHE E 145 2.605 -11.335 4.829 1.00 27.15 N +ATOM 1073 CA PHE E 145 1.537 -10.378 4.578 1.00 24.33 C +ATOM 1074 C PHE E 145 2.056 -9.210 3.732 1.00 27.61 C +ATOM 1075 O PHE E 145 1.491 -8.821 2.723 1.00 14.86 O +ATOM 1076 CB PHE E 145 0.971 -9.866 5.938 1.00 41.36 C +ATOM 1077 CG PHE E 145 -0.068 -8.752 5.863 1.00 26.27 C +ATOM 1078 CD1 PHE E 145 -1.292 -8.937 5.214 1.00 19.64 C +ATOM 1079 CD2 PHE E 145 0.175 -7.513 6.458 1.00 50.57 C +ATOM 1080 CE1 PHE E 145 -2.253 -7.924 5.139 1.00 7.92 C +ATOM 1081 CE2 PHE E 145 -0.765 -6.482 6.393 1.00 16.76 C +ATOM 1082 CZ PHE E 145 -1.974 -6.687 5.725 1.00 27.47 C +ATOM 1083 N TYR E 146 3.159 -8.636 4.160 1.00 25.32 N +ATOM 1084 CA TYR E 146 3.753 -7.538 3.443 1.00 22.59 C +ATOM 1085 C TYR E 146 4.277 -8.038 2.129 1.00 8.28 C +ATOM 1086 O TYR E 146 4.031 -7.464 1.073 1.00 32.67 O +ATOM 1087 CB TYR E 146 4.910 -6.901 4.237 1.00 27.18 C +ATOM 1088 CG TYR E 146 4.427 -6.348 5.555 1.00 34.95 C +ATOM 1089 CD1 TYR E 146 3.223 -5.650 5.601 1.00 55.18 C +ATOM 1090 CD2 TYR E 146 5.149 -6.515 6.736 1.00 27.05 C +ATOM 1091 CE1 TYR E 146 2.752 -5.122 6.800 1.00 28.70 C +ATOM 1092 CE2 TYR E 146 4.695 -5.992 7.945 1.00 44.37 C +ATOM 1093 CZ TYR E 146 3.487 -5.295 7.968 1.00 49.32 C +ATOM 1094 OH TYR E 146 3.007 -4.773 9.128 1.00 28.77 O +ATOM 1095 N ALA E 147 5.027 -9.126 2.206 1.00 41.00 N +ATOM 1096 CA ALA E 147 5.628 -9.746 1.037 1.00 12.15 C +ATOM 1097 C ALA E 147 4.582 -9.898 -0.055 1.00 34.51 C +ATOM 1098 O ALA E 147 4.738 -9.470 -1.200 1.00 49.50 O +ATOM 1099 CB ALA E 147 6.131 -11.120 1.477 1.00 13.73 C +ATOM 1100 N ALA E 148 3.487 -10.518 0.344 1.00 11.31 N +ATOM 1101 CA ALA E 148 2.392 -10.765 -0.543 1.00 17.24 C +ATOM 1102 C ALA E 148 1.980 -9.501 -1.244 1.00 44.11 C +ATOM 1103 O ALA E 148 1.662 -9.544 -2.423 1.00 14.10 O +ATOM 1104 CB ALA E 148 1.224 -11.392 0.199 1.00 18.88 C +ATOM 1105 N GLN E 149 1.991 -8.375 -0.519 1.00 9.63 N +ATOM 1106 CA GLN E 149 1.590 -7.077 -1.094 1.00 4.24 C +ATOM 1107 C GLN E 149 2.637 -6.552 -2.056 1.00 22.19 C +ATOM 1108 O GLN E 149 2.335 -5.889 -3.041 1.00 29.76 O +ATOM 1109 CB GLN E 149 1.333 -5.989 -0.016 1.00 29.36 C +ATOM 1110 CG GLN E 149 0.062 -6.172 0.872 1.00 11.10 C +ATOM 1111 CD GLN E 149 0.019 -5.149 1.998 1.00 30.86 C +ATOM 1112 OE1 GLN E 149 -0.102 -3.932 1.758 1.00 41.28 O +ATOM 1113 NE2 GLN E 149 0.134 -5.635 3.228 1.00 24.25 N +ATOM 1114 N ILE E 150 3.888 -6.843 -1.763 1.00 13.74 N +ATOM 1115 CA ILE E 150 4.926 -6.372 -2.634 1.00 21.14 C +ATOM 1116 C ILE E 150 4.879 -7.173 -3.927 1.00 23.74 C +ATOM 1117 O ILE E 150 5.105 -6.666 -5.023 1.00 19.87 O +ATOM 1118 CB ILE E 150 6.286 -6.454 -1.970 1.00 41.19 C +ATOM 1119 CG1 ILE E 150 6.382 -5.480 -0.791 1.00 11.12 C +ATOM 1120 CG2 ILE E 150 7.382 -6.169 -2.997 1.00 13.89 C +ATOM 1121 CD1 ILE E 150 6.161 -4.010 -1.160 1.00 9.21 C +ATOM 1122 N VAL E 151 4.555 -8.446 -3.778 1.00 28.49 N +ATOM 1123 CA VAL E 151 4.464 -9.305 -4.921 1.00 29.23 C +ATOM 1124 C VAL E 151 3.531 -8.755 -5.985 1.00 18.41 C +ATOM 1125 O VAL E 151 3.900 -8.602 -7.146 1.00 24.99 O +ATOM 1126 CB VAL E 151 4.076 -10.729 -4.520 1.00 13.41 C +ATOM 1127 CG1 VAL E 151 3.511 -11.496 -5.740 1.00 27.77 C +ATOM 1128 CG2 VAL E 151 5.347 -11.416 -4.026 1.00 6.09 C +ATOM 1129 N LEU E 152 2.317 -8.462 -5.540 1.00 8.72 N +ATOM 1130 CA LEU E 152 1.284 -7.934 -6.397 1.00 17.59 C +ATOM 1131 C LEU E 152 1.697 -6.607 -6.952 1.00 18.11 C +ATOM 1132 O LEU E 152 1.330 -6.256 -8.054 1.00 14.63 O +ATOM 1133 CB LEU E 152 -0.075 -7.803 -5.686 1.00 19.22 C +ATOM 1134 CG LEU E 152 -0.572 -9.099 -5.076 1.00 16.70 C +ATOM 1135 CD1 LEU E 152 -1.898 -8.836 -4.384 1.00 28.20 C +ATOM 1136 CD2 LEU E 152 -0.761 -10.147 -6.178 1.00 30.48 C +ATOM 1137 N THR E 153 2.446 -5.857 -6.182 1.00 34.59 N +ATOM 1138 CA THR E 153 2.862 -4.572 -6.667 1.00 22.09 C +ATOM 1139 C THR E 153 3.885 -4.680 -7.795 1.00 16.81 C +ATOM 1140 O THR E 153 3.893 -3.944 -8.771 1.00 24.44 O +ATOM 1141 CB THR E 153 3.293 -3.714 -5.484 1.00 57.63 C +ATOM 1142 OG1 THR E 153 2.290 -3.877 -4.500 1.00 18.62 O +ATOM 1143 CG2 THR E 153 3.403 -2.255 -5.900 1.00 12.89 C +ATOM 1144 N PHE E 154 4.756 -5.634 -7.713 1.00 21.05 N +ATOM 1145 CA PHE E 154 5.726 -5.740 -8.789 1.00 22.40 C +ATOM 1146 C PHE E 154 5.111 -6.291 -10.056 1.00 23.33 C +ATOM 1147 O PHE E 154 5.377 -5.839 -11.160 1.00 33.73 O +ATOM 1148 CB PHE E 154 6.863 -6.618 -8.311 1.00 15.24 C +ATOM 1149 CG PHE E 154 7.848 -5.873 -7.472 1.00 29.57 C +ATOM 1150 CD1 PHE E 154 7.786 -4.485 -7.373 1.00 28.69 C +ATOM 1151 CD2 PHE E 154 8.876 -6.550 -6.815 1.00 23.56 C +ATOM 1152 CE1 PHE E 154 8.733 -3.777 -6.634 1.00 17.41 C +ATOM 1153 CE2 PHE E 154 9.843 -5.871 -6.078 1.00 25.01 C +ATOM 1154 CZ PHE E 154 9.757 -4.480 -5.997 1.00 19.77 C +ATOM 1155 N GLU E 155 4.268 -7.292 -9.889 1.00 27.80 N +ATOM 1156 CA GLU E 155 3.603 -7.906 -11.008 1.00 14.60 C +ATOM 1157 C GLU E 155 2.843 -6.846 -11.794 1.00 14.50 C +ATOM 1158 O GLU E 155 2.592 -6.882 -13.001 1.00 23.89 O +ATOM 1159 CB GLU E 155 2.765 -9.060 -10.468 1.00 26.34 C +ATOM 1160 CG GLU E 155 1.987 -9.808 -11.553 1.00 15.17 C +ATOM 1161 CD GLU E 155 0.804 -10.540 -10.997 1.00 44.25 C +ATOM 1162 OE1 GLU E 155 0.157 -10.157 -10.045 1.00 43.84 O +ATOM 1163 OE2 GLU E 155 0.538 -11.622 -11.655 1.00 28.54 O +ATOM 1164 N TYR E 156 2.376 -5.885 -11.025 1.00 10.06 N +ATOM 1165 CA TYR E 156 1.635 -4.812 -11.601 1.00 30.37 C +ATOM 1166 C TYR E 156 2.609 -3.866 -12.278 1.00 15.20 C +ATOM 1167 O TYR E 156 2.480 -3.530 -13.440 1.00 24.58 O +ATOM 1168 CB TYR E 156 0.836 -4.064 -10.536 1.00 12.72 C +ATOM 1169 CG TYR E 156 0.444 -2.641 -10.976 1.00 28.56 C +ATOM 1170 CD1 TYR E 156 -0.447 -2.431 -12.026 1.00 12.81 C +ATOM 1171 CD2 TYR E 156 0.935 -1.501 -10.338 1.00 18.27 C +ATOM 1172 CE1 TYR E 156 -0.840 -1.154 -12.448 1.00 26.61 C +ATOM 1173 CE2 TYR E 156 0.561 -0.214 -10.737 1.00 27.01 C +ATOM 1174 CZ TYR E 156 -0.334 -0.033 -11.792 1.00 56.28 C +ATOM 1175 OH TYR E 156 -0.725 1.228 -12.191 1.00 36.14 O +ATOM 1176 N LEU E 157 3.602 -3.426 -11.530 1.00 36.01 N +ATOM 1177 CA LEU E 157 4.594 -2.520 -12.076 1.00 35.33 C +ATOM 1178 C LEU E 157 5.301 -3.115 -13.291 1.00 18.28 C +ATOM 1179 O LEU E 157 5.381 -2.498 -14.366 1.00 19.78 O +ATOM 1180 CB LEU E 157 5.655 -2.125 -11.012 1.00 31.49 C +ATOM 1181 CG LEU E 157 5.121 -1.196 -9.946 1.00 24.16 C +ATOM 1182 CD1 LEU E 157 6.231 -0.803 -8.993 1.00 39.25 C +ATOM 1183 CD2 LEU E 157 4.552 0.037 -10.624 1.00 64.77 C +ATOM 1184 N HIS E 158 5.847 -4.331 -13.102 1.00 15.28 N +ATOM 1185 CA HIS E 158 6.580 -4.974 -14.163 1.00 11.00 C +ATOM 1186 C HIS E 158 5.736 -5.116 -15.393 1.00 38.95 C +ATOM 1187 O HIS E 158 6.222 -5.014 -16.513 1.00 23.31 O +ATOM 1188 CB HIS E 158 7.249 -6.299 -13.781 1.00 17.51 C +ATOM 1189 CG HIS E 158 8.287 -6.158 -12.713 1.00 27.26 C +ATOM 1190 ND1 HIS E 158 8.697 -4.919 -12.257 1.00 16.13 N +ATOM 1191 CD2 HIS E 158 8.957 -7.116 -12.009 1.00 23.08 C +ATOM 1192 CE1 HIS E 158 9.593 -5.157 -11.311 1.00 51.17 C +ATOM 1193 NE2 HIS E 158 9.772 -6.465 -11.126 1.00 36.21 N +ATOM 1194 N SER E 159 4.457 -5.333 -15.179 1.00 40.07 N +ATOM 1195 CA SER E 159 3.556 -5.471 -16.302 1.00 7.85 C +ATOM 1196 C SER E 159 3.490 -4.219 -17.186 1.00 35.66 C +ATOM 1197 O SER E 159 3.169 -4.312 -18.372 1.00 33.72 O +ATOM 1198 CB SER E 159 2.184 -5.965 -15.856 1.00 30.50 C +ATOM 1199 OG SER E 159 1.348 -4.884 -15.515 1.00 53.28 O +ATOM 1200 N LEU E 160 3.804 -3.047 -16.617 1.00 39.15 N +ATOM 1201 CA LEU E 160 3.774 -1.749 -17.325 1.00 25.30 C +ATOM 1202 C LEU E 160 5.174 -1.443 -17.838 1.00 28.46 C +ATOM 1203 O LEU E 160 5.490 -0.278 -18.057 1.00 42.56 O +ATOM 1204 CB LEU E 160 3.485 -0.618 -16.266 1.00 24.07 C +ATOM 1205 CG LEU E 160 2.056 -0.104 -16.058 1.00 62.38 C +ATOM 1206 CD1 LEU E 160 1.014 -1.145 -16.436 1.00 7.79 C +ATOM 1207 CD2 LEU E 160 1.859 0.322 -14.592 1.00 19.80 C +ATOM 1208 N ASP E 161 6.005 -2.489 -17.983 1.00 14.59 N +ATOM 1209 CA ASP E 161 7.414 -2.364 -18.376 1.00 36.03 C +ATOM 1210 C ASP E 161 8.187 -1.440 -17.410 1.00 35.80 C +ATOM 1211 O ASP E 161 9.217 -0.851 -17.689 1.00 15.70 O +ATOM 1212 CB ASP E 161 7.735 -2.061 -19.840 1.00 20.68 C +ATOM 1213 CG ASP E 161 6.662 -2.385 -20.838 1.00 27.03 C +ATOM 1214 OD1 ASP E 161 6.644 -3.659 -21.141 1.00 26.24 O +ATOM 1215 OD2 ASP E 161 5.924 -1.548 -21.343 1.00 31.76 O +ATOM 1216 N LEU E 162 7.685 -1.297 -16.217 1.00 22.08 N +ATOM 1217 CA LEU E 162 8.374 -0.445 -15.314 1.00 6.99 C +ATOM 1218 C LEU E 162 9.309 -1.244 -14.432 1.00 13.53 C +ATOM 1219 O LEU E 162 9.074 -2.428 -14.250 1.00 27.94 O +ATOM 1220 CB LEU E 162 7.326 0.182 -14.361 1.00 28.10 C +ATOM 1221 CG LEU E 162 6.785 1.537 -14.769 1.00 21.50 C +ATOM 1222 CD1 LEU E 162 6.853 1.673 -16.264 1.00 46.10 C +ATOM 1223 CD2 LEU E 162 5.337 1.688 -14.290 1.00 10.82 C +ATOM 1224 N ILE E 163 10.471 -0.649 -13.890 1.00 21.89 N +ATOM 1225 CA ILE E 163 11.355 -1.095 -12.803 1.00 13.39 C +ATOM 1226 C ILE E 163 11.343 -0.060 -11.676 1.00 2.49 C +ATOM 1227 O ILE E 163 11.430 1.152 -11.919 1.00 39.67 O +ATOM 1228 CB ILE E 163 12.775 -1.272 -13.335 1.00 31.91 C +ATOM 1229 CG1 ILE E 163 12.833 -2.161 -14.579 1.00 26.81 C +ATOM 1230 CG2 ILE E 163 13.717 -1.915 -12.316 1.00 33.56 C +ATOM 1231 CD1 ILE E 163 14.205 -2.799 -14.796 1.00 26.17 C +ATOM 1232 N TYR E 164 11.261 -0.530 -10.469 1.00 14.00 N +ATOM 1233 CA TYR E 164 11.171 0.300 -9.259 1.00 32.62 C +ATOM 1234 C TYR E 164 12.577 0.638 -8.754 1.00 16.53 C +ATOM 1235 O TYR E 164 12.861 1.784 -8.377 1.00 70.64 O +ATOM 1236 CB TYR E 164 10.407 -0.452 -8.168 1.00 13.13 C +ATOM 1237 CG TYR E 164 10.300 0.334 -6.861 1.00 39.60 C +ATOM 1238 CD1 TYR E 164 9.600 1.546 -6.828 1.00 25.39 C +ATOM 1239 CD2 TYR E 164 10.902 -0.160 -5.699 1.00 23.34 C +ATOM 1240 CE1 TYR E 164 9.504 2.266 -5.631 1.00 5.42 C +ATOM 1241 CE2 TYR E 164 10.806 0.559 -4.502 1.00 29.61 C +ATOM 1242 CZ TYR E 164 10.108 1.772 -4.468 1.00 31.64 C +ATOM 1243 OH TYR E 164 10.016 2.471 -3.305 1.00 34.59 O +ATOM 1244 N ARG E 165 13.411 -0.386 -8.767 1.00 26.58 N +ATOM 1245 CA ARG E 165 14.814 -0.287 -8.335 1.00 15.52 C +ATOM 1246 C ARG E 165 14.898 0.347 -6.945 1.00 12.53 C +ATOM 1247 O ARG E 165 15.996 0.577 -6.414 1.00 20.52 O +ATOM 1248 CB ARG E 165 15.605 0.577 -9.319 1.00 15.00 C +ATOM 1249 CG ARG E 165 15.583 0.027 -10.746 1.00 26.76 C +ATOM 1250 CD ARG E 165 16.631 0.676 -11.652 1.00 13.70 C +ATOM 1251 NE ARG E 165 16.356 2.094 -11.923 1.00 38.75 N +ATOM 1252 CZ ARG E 165 16.985 2.813 -12.863 1.00 16.80 C +ATOM 1253 NH1 ARG E 165 17.931 2.261 -13.635 1.00 26.77 N +ATOM 1254 NH2 ARG E 165 16.734 4.105 -13.110 1.00 21.68 N +ATOM 1255 N ASP E 166 14.257 0.555 -6.029 1.00 21.82 N +ATOM 1256 CA ASP E 166 14.522 1.064 -4.671 1.00 13.47 C +ATOM 1257 C ASP E 166 13.420 0.631 -3.705 1.00 17.96 C +ATOM 1258 O ASP E 166 13.169 1.297 -2.688 1.00 15.60 O +ATOM 1259 CB ASP E 166 14.581 2.593 -4.691 1.00 16.61 C +ATOM 1260 CG ASP E 166 15.522 3.173 -3.632 1.00 6.19 C +ATOM 1261 OD1 ASP E 166 16.445 2.434 -3.115 1.00 10.66 O +ATOM 1262 OD2 ASP E 166 15.393 4.400 -3.257 1.00 38.37 O +ATOM 1263 N LEU E 167 13.718 -0.744 -3.462 1.00 11.37 N +ATOM 1264 CA LEU E 167 12.967 -1.459 -2.439 1.00 9.26 C +ATOM 1265 C LEU E 167 13.770 -1.585 -1.160 1.00 37.81 C +ATOM 1266 O LEU E 167 14.865 -2.158 -1.132 1.00 19.98 O +ATOM 1267 CB LEU E 167 12.467 -2.834 -2.936 1.00 21.11 C +ATOM 1268 CG LEU E 167 11.546 -3.552 -1.959 1.00 32.07 C +ATOM 1269 CD1 LEU E 167 10.124 -2.993 -2.076 1.00 10.56 C +ATOM 1270 CD2 LEU E 167 11.581 -5.064 -2.262 1.00 7.66 C +ATOM 1271 N LYS E 168 13.179 -1.014 -0.127 1.00 15.30 N +ATOM 1272 CA LYS E 168 13.732 -0.930 1.190 1.00 11.75 C +ATOM 1273 C LYS E 168 12.593 -0.508 2.084 1.00 24.73 C +ATOM 1274 O LYS E 168 11.620 0.091 1.622 1.00 23.55 O +ATOM 1275 CB LYS E 168 14.892 0.089 1.276 1.00 27.02 C +ATOM 1276 CG LYS E 168 14.594 1.553 0.849 1.00 7.67 C +ATOM 1277 CD LYS E 168 15.861 2.369 0.698 1.00 1.00 C +ATOM 1278 CE LYS E 168 15.628 3.857 0.741 1.00 18.68 C +ATOM 1279 NZ LYS E 168 16.625 4.590 -0.059 1.00 26.54 N +ATOM 1280 N PRO E 169 12.744 -0.847 3.352 1.00 16.03 N +ATOM 1281 CA PRO E 169 11.769 -0.573 4.382 1.00 13.33 C +ATOM 1282 C PRO E 169 11.552 0.918 4.628 1.00 53.61 C +ATOM 1283 O PRO E 169 10.486 1.310 5.122 1.00 28.85 O +ATOM 1284 CB PRO E 169 12.359 -1.270 5.626 1.00 14.24 C +ATOM 1285 CG PRO E 169 13.332 -2.327 5.112 1.00 13.84 C +ATOM 1286 CD PRO E 169 13.800 -1.836 3.761 1.00 1.00 C +ATOM 1287 N GLU E 170 12.583 1.724 4.286 1.00 18.99 N +ATOM 1288 CA GLU E 170 12.574 3.179 4.431 1.00 5.99 C +ATOM 1289 C GLU E 170 11.634 3.780 3.397 1.00 8.06 C +ATOM 1290 O GLU E 170 11.096 4.894 3.559 1.00 11.28 O +ATOM 1291 CB GLU E 170 13.987 3.813 4.259 1.00 14.37 C +ATOM 1292 CG GLU E 170 15.023 3.527 5.401 1.00 29.81 C +ATOM 1293 CD GLU E 170 15.853 2.271 5.230 1.00 26.47 C +ATOM 1294 OE1 GLU E 170 15.390 1.247 4.744 1.00 22.48 O +ATOM 1295 OE2 GLU E 170 17.111 2.369 5.672 1.00 20.33 O +ATOM 1296 N ASN E 171 11.442 3.010 2.318 1.00 14.90 N +ATOM 1297 CA ASN E 171 10.595 3.393 1.190 1.00 20.39 C +ATOM 1298 C ASN E 171 9.203 2.781 1.285 1.00 30.48 C +ATOM 1299 O ASN E 171 8.413 2.976 0.384 1.00 16.39 O +ATOM 1300 CB ASN E 171 11.235 3.046 -0.199 1.00 17.11 C +ATOM 1301 CG ASN E 171 12.305 4.023 -0.699 1.00 11.18 C +ATOM 1302 OD1 ASN E 171 12.563 5.062 -0.085 1.00 22.92 O +ATOM 1303 ND2 ASN E 171 12.956 3.689 -1.819 1.00 16.62 N +ATOM 1304 N LEU E 172 8.909 2.043 2.370 1.00 21.31 N +ATOM 1305 CA LEU E 172 7.603 1.409 2.545 1.00 12.78 C +ATOM 1306 C LEU E 172 6.805 2.000 3.690 1.00 63.82 C +ATOM 1307 O LEU E 172 7.220 1.934 4.841 1.00 16.99 O +ATOM 1308 CB LEU E 172 7.769 -0.092 2.808 1.00 19.39 C +ATOM 1309 CG LEU E 172 8.694 -0.764 1.812 1.00 27.70 C +ATOM 1310 CD1 LEU E 172 8.748 -2.242 2.167 1.00 24.39 C +ATOM 1311 CD2 LEU E 172 8.144 -0.604 0.388 1.00 17.76 C +ATOM 1312 N LEU E 173 5.635 2.546 3.388 1.00 10.85 N +ATOM 1313 CA LEU E 173 4.838 3.155 4.428 1.00 44.87 C +ATOM 1314 C LEU E 173 3.636 2.343 4.820 1.00 36.65 C +ATOM 1315 O LEU E 173 3.062 1.649 3.992 1.00 25.71 O +ATOM 1316 CB LEU E 173 4.460 4.609 4.093 1.00 38.10 C +ATOM 1317 CG LEU E 173 5.657 5.485 3.707 1.00 28.69 C +ATOM 1318 CD1 LEU E 173 5.187 6.467 2.657 1.00 16.83 C +ATOM 1319 CD2 LEU E 173 6.188 6.273 4.906 1.00 10.73 C +ATOM 1320 N ILE E 174 3.275 2.445 6.105 1.00 30.90 N +ATOM 1321 CA ILE E 174 2.139 1.732 6.669 1.00 51.23 C +ATOM 1322 C ILE E 174 0.847 2.564 6.681 1.00 18.05 C +ATOM 1323 O ILE E 174 0.822 3.653 7.244 1.00 34.59 O +ATOM 1324 CB ILE E 174 2.489 1.260 8.072 1.00 43.66 C +ATOM 1325 CG1 ILE E 174 3.748 0.392 8.044 1.00 27.30 C +ATOM 1326 CG2 ILE E 174 1.320 0.509 8.690 1.00 33.03 C +ATOM 1327 CD1 ILE E 174 3.664 -0.736 7.020 1.00 62.06 C +ATOM 1328 N ASP E 175 -0.229 2.056 6.051 1.00 35.25 N +ATOM 1329 CA ASP E 175 -1.494 2.790 6.035 1.00 15.12 C +ATOM 1330 C ASP E 175 -2.306 2.626 7.311 1.00 29.91 C +ATOM 1331 O ASP E 175 -1.923 1.880 8.213 1.00 21.76 O +ATOM 1332 CB ASP E 175 -2.327 2.765 4.736 1.00 65.47 C +ATOM 1333 CG ASP E 175 -2.993 1.457 4.433 1.00 23.22 C +ATOM 1334 OD1 ASP E 175 -3.333 0.786 5.497 1.00 31.75 O +ATOM 1335 OD2 ASP E 175 -3.171 1.065 3.297 1.00 44.07 O +ATOM 1336 N GLN E 176 -3.431 3.332 7.404 1.00 25.04 N +ATOM 1337 CA GLN E 176 -4.259 3.252 8.618 1.00 13.26 C +ATOM 1338 C GLN E 176 -4.856 1.901 8.849 1.00 31.37 C +ATOM 1339 O GLN E 176 -5.544 1.676 9.840 1.00 38.11 O +ATOM 1340 CB GLN E 176 -5.405 4.282 8.629 1.00 51.11 C +ATOM 1341 CG GLN E 176 -4.931 5.721 8.405 1.00100.00 C +ATOM 1342 CD GLN E 176 -5.926 6.707 8.962 1.00 39.80 C +ATOM 1343 OE1 GLN E 176 -6.915 6.305 9.610 1.00100.00 O +ATOM 1344 NE2 GLN E 176 -5.655 7.996 8.723 1.00 58.10 N +ATOM 1345 N GLN E 177 -4.595 1.009 7.925 1.00 25.55 N +ATOM 1346 CA GLN E 177 -5.164 -0.293 8.036 1.00 16.88 C +ATOM 1347 C GLN E 177 -4.125 -1.394 8.062 1.00 15.52 C +ATOM 1348 O GLN E 177 -4.441 -2.573 7.954 1.00 27.91 O +ATOM 1349 CB GLN E 177 -6.257 -0.415 6.929 1.00 17.30 C +ATOM 1350 CG GLN E 177 -6.773 -1.823 6.630 1.00 56.71 C +ATOM 1351 CD GLN E 177 -7.862 -1.796 5.585 1.00100.00 C +ATOM 1352 OE1 GLN E 177 -7.884 -0.904 4.723 1.00 81.93 O +ATOM 1353 NE2 GLN E 177 -8.771 -2.767 5.668 1.00 93.11 N +ATOM 1354 N GLY E 178 -2.868 -1.021 8.214 1.00 27.12 N +ATOM 1355 CA GLY E 178 -1.820 -2.034 8.281 1.00 25.95 C +ATOM 1356 C GLY E 178 -1.322 -2.453 6.908 1.00 17.79 C +ATOM 1357 O GLY E 178 -0.508 -3.352 6.771 1.00 34.84 O +ATOM 1358 N TYR E 179 -1.828 -1.790 5.896 1.00 22.41 N +ATOM 1359 CA TYR E 179 -1.410 -2.093 4.568 1.00 39.45 C +ATOM 1360 C TYR E 179 -0.274 -1.219 4.119 1.00 23.37 C +ATOM 1361 O TYR E 179 0.001 -0.158 4.688 1.00 23.13 O +ATOM 1362 CB TYR E 179 -2.546 -2.026 3.557 1.00 16.48 C +ATOM 1363 CG TYR E 179 -3.406 -3.224 3.699 1.00 68.93 C +ATOM 1364 CD1 TYR E 179 -4.269 -3.331 4.789 1.00 26.27 C +ATOM 1365 CD2 TYR E 179 -3.339 -4.255 2.761 1.00 22.24 C +ATOM 1366 CE1 TYR E 179 -5.092 -4.449 4.919 1.00 18.55 C +ATOM 1367 CE2 TYR E 179 -4.145 -5.385 2.894 1.00 77.44 C +ATOM 1368 CZ TYR E 179 -5.020 -5.479 3.978 1.00 30.17 C +ATOM 1369 OH TYR E 179 -5.817 -6.589 4.109 1.00 68.13 O +ATOM 1370 N ILE E 180 0.345 -1.696 3.042 1.00 44.37 N +ATOM 1371 CA ILE E 180 1.483 -1.078 2.408 1.00 17.64 C +ATOM 1372 C ILE E 180 1.157 -0.017 1.388 1.00 31.48 C +ATOM 1373 O ILE E 180 0.284 -0.171 0.527 1.00 38.60 O +ATOM 1374 CB ILE E 180 2.355 -2.147 1.732 1.00 53.49 C +ATOM 1375 CG1 ILE E 180 3.047 -3.035 2.758 1.00 21.08 C +ATOM 1376 CG2 ILE E 180 3.368 -1.541 0.768 1.00 17.99 C +ATOM 1377 CD1 ILE E 180 4.440 -2.576 3.132 1.00 75.52 C +ATOM 1378 N GLN E 181 1.919 1.065 1.513 1.00 17.93 N +ATOM 1379 CA GLN E 181 1.888 2.206 0.626 1.00 22.60 C +ATOM 1380 C GLN E 181 3.314 2.342 0.159 1.00 26.13 C +ATOM 1381 O GLN E 181 4.195 2.616 0.977 1.00 36.59 O +ATOM 1382 CB GLN E 181 1.503 3.522 1.315 1.00 32.30 C +ATOM 1383 CG GLN E 181 0.066 3.492 1.826 1.00 35.12 C +ATOM 1384 CD GLN E 181 -0.856 3.397 0.648 1.00 44.69 C +ATOM 1385 OE1 GLN E 181 -1.142 4.418 -0.006 1.00 41.58 O +ATOM 1386 NE2 GLN E 181 -1.285 2.169 0.339 1.00 39.36 N +ATOM 1387 N VAL E 182 3.567 2.140 -1.127 1.00 31.58 N +ATOM 1388 CA VAL E 182 4.934 2.272 -1.620 1.00 10.41 C +ATOM 1389 C VAL E 182 5.254 3.677 -2.085 1.00 31.85 C +ATOM 1390 O VAL E 182 4.630 4.158 -3.038 1.00 34.30 O +ATOM 1391 CB VAL E 182 5.290 1.311 -2.745 1.00 7.17 C +ATOM 1392 CG1 VAL E 182 6.728 1.532 -3.216 1.00 1.65 C +ATOM 1393 CG2 VAL E 182 5.059 -0.130 -2.307 1.00 14.83 C +ATOM 1394 N THR E 183 6.245 4.324 -1.428 1.00 18.43 N +ATOM 1395 CA THR E 183 6.657 5.668 -1.849 1.00 20.38 C +ATOM 1396 C THR E 183 8.001 5.665 -2.596 1.00 26.22 C +ATOM 1397 O THR E 183 8.451 4.626 -3.027 1.00 5.28 O +ATOM 1398 CB THR E 183 6.597 6.748 -0.766 1.00 8.95 C +ATOM 1399 OG1 THR E 183 6.683 8.029 -1.374 1.00 19.51 O +ATOM 1400 CG2 THR E 183 7.645 6.518 0.354 1.00 18.16 C +ATOM 1401 N ASP E 184 8.634 6.825 -2.778 1.00 19.06 N +ATOM 1402 CA ASP E 184 9.916 6.904 -3.462 1.00 13.63 C +ATOM 1403 C ASP E 184 10.014 6.179 -4.781 1.00 24.16 C +ATOM 1404 O ASP E 184 10.456 5.017 -4.864 1.00 23.98 O +ATOM 1405 CB ASP E 184 11.138 6.567 -2.570 1.00 34.34 C +ATOM 1406 CG ASP E 184 12.368 7.265 -3.077 1.00 18.20 C +ATOM 1407 OD1 ASP E 184 12.373 7.897 -4.139 1.00 10.97 O +ATOM 1408 OD2 ASP E 184 13.386 7.180 -2.250 1.00 11.89 O +ATOM 1409 N PHE E 185 9.616 6.913 -5.825 1.00 30.88 N +ATOM 1410 CA PHE E 185 9.656 6.445 -7.201 1.00 40.58 C +ATOM 1411 C PHE E 185 10.823 7.110 -7.964 1.00 16.85 C +ATOM 1412 O PHE E 185 10.907 7.111 -9.199 1.00 35.86 O +ATOM 1413 CB PHE E 185 8.292 6.656 -7.882 1.00 20.30 C +ATOM 1414 CG PHE E 185 7.394 5.427 -7.773 1.00 22.93 C +ATOM 1415 CD1 PHE E 185 6.766 5.124 -6.566 1.00 26.89 C +ATOM 1416 CD2 PHE E 185 7.205 4.565 -8.853 1.00 28.36 C +ATOM 1417 CE1 PHE E 185 5.960 3.995 -6.424 1.00 23.56 C +ATOM 1418 CE2 PHE E 185 6.397 3.433 -8.739 1.00 33.52 C +ATOM 1419 CZ PHE E 185 5.781 3.155 -7.520 1.00 23.34 C +ATOM 1420 N GLY E 186 11.740 7.669 -7.169 1.00 24.52 N +ATOM 1421 CA GLY E 186 12.913 8.374 -7.628 1.00 17.27 C +ATOM 1422 C GLY E 186 13.747 7.597 -8.619 1.00 26.24 C +ATOM 1423 O GLY E 186 14.353 8.217 -9.471 1.00 15.93 O +ATOM 1424 N PHE E 187 13.788 6.264 -8.511 1.00 26.97 N +ATOM 1425 CA PHE E 187 14.573 5.474 -9.453 1.00 21.83 C +ATOM 1426 C PHE E 187 13.721 4.783 -10.515 1.00 30.98 C +ATOM 1427 O PHE E 187 14.248 4.188 -11.453 1.00 15.57 O +ATOM 1428 CB PHE E 187 15.604 4.523 -8.785 1.00 2.22 C +ATOM 1429 CG PHE E 187 16.597 5.256 -7.893 1.00 20.72 C +ATOM 1430 CD1 PHE E 187 16.761 6.643 -7.972 1.00 19.80 C +ATOM 1431 CD2 PHE E 187 17.366 4.558 -6.957 1.00 19.42 C +ATOM 1432 CE1 PHE E 187 17.677 7.326 -7.166 1.00 19.71 C +ATOM 1433 CE2 PHE E 187 18.279 5.218 -6.126 1.00 8.34 C +ATOM 1434 CZ PHE E 187 18.417 6.608 -6.220 1.00 10.40 C +ATOM 1435 N ALA E 188 12.399 4.875 -10.389 1.00 27.64 N +ATOM 1436 CA ALA E 188 11.513 4.220 -11.360 1.00 15.63 C +ATOM 1437 C ALA E 188 11.793 4.556 -12.800 1.00 10.06 C +ATOM 1438 O ALA E 188 12.106 5.704 -13.201 1.00 23.69 O +ATOM 1439 CB ALA E 188 10.046 4.065 -10.965 1.00 11.68 C +ATOM 1440 N LYS E 189 11.703 3.515 -13.593 1.00 21.55 N +ATOM 1441 CA LYS E 189 11.976 3.661 -15.002 1.00 22.54 C +ATOM 1442 C LYS E 189 11.117 2.746 -15.873 1.00 20.59 C +ATOM 1443 O LYS E 189 10.892 1.567 -15.562 1.00 32.33 O +ATOM 1444 CB LYS E 189 13.472 3.414 -15.267 1.00 9.15 C +ATOM 1445 CG LYS E 189 14.046 4.184 -16.462 1.00 38.25 C +ATOM 1446 CD LYS E 189 15.361 3.606 -16.968 1.00 31.01 C +ATOM 1447 CE LYS E 189 15.947 4.357 -18.149 1.00 24.31 C +ATOM 1448 NZ LYS E 189 17.244 3.826 -18.590 1.00 36.48 N +ATOM 1449 N ARG E 190 10.637 3.324 -16.981 1.00 16.64 N +ATOM 1450 CA ARG E 190 9.843 2.596 -17.939 1.00 14.01 C +ATOM 1451 C ARG E 190 10.846 2.161 -19.015 1.00 23.94 C +ATOM 1452 O ARG E 190 11.410 2.987 -19.721 1.00 20.60 O +ATOM 1453 CB ARG E 190 8.676 3.407 -18.497 1.00 5.18 C +ATOM 1454 CG ARG E 190 7.752 2.447 -19.240 1.00 15.74 C +ATOM 1455 CD ARG E 190 6.361 2.942 -19.593 1.00 21.80 C +ATOM 1456 NE ARG E 190 5.674 1.886 -20.329 1.00 69.28 N +ATOM 1457 CZ ARG E 190 5.221 1.969 -21.573 1.00 36.70 C +ATOM 1458 NH1 ARG E 190 5.334 3.086 -22.288 1.00 26.54 N +ATOM 1459 NH2 ARG E 190 4.631 0.896 -22.113 1.00 38.01 N +ATOM 1460 N VAL E 191 11.138 0.870 -19.062 1.00 47.46 N +ATOM 1461 CA VAL E 191 12.116 0.328 -19.984 1.00 33.82 C +ATOM 1462 C VAL E 191 11.839 -1.081 -20.398 1.00100.00 C +ATOM 1463 O VAL E 191 11.653 -1.971 -19.555 1.00 22.99 O +ATOM 1464 CB VAL E 191 13.490 0.164 -19.349 1.00 26.52 C +ATOM 1465 CG1 VAL E 191 14.549 0.101 -20.449 1.00 14.27 C +ATOM 1466 CG2 VAL E 191 13.795 1.208 -18.291 1.00 69.74 C +ATOM 1467 N LYS E 192 11.902 -1.219 -21.706 1.00 15.43 N +ATOM 1468 CA LYS E 192 11.738 -2.440 -22.465 1.00 37.81 C +ATOM 1469 C LYS E 192 13.171 -2.707 -22.856 1.00 6.66 C +ATOM 1470 O LYS E 192 13.695 -2.062 -23.769 1.00100.00 O +ATOM 1471 CB LYS E 192 10.880 -2.159 -23.719 1.00 11.53 C +ATOM 1472 CG LYS E 192 9.436 -2.678 -23.634 1.00 15.50 C +ATOM 1473 CD LYS E 192 8.403 -1.759 -24.299 1.00 18.64 C +ATOM 1474 CE LYS E 192 7.021 -2.385 -24.469 1.00 45.14 C +ATOM 1475 NZ LYS E 192 6.147 -1.606 -25.363 1.00 83.97 N +ATOM 1476 N GLY E 193 13.853 -3.580 -22.155 1.00 44.45 N +ATOM 1477 CA GLY E 193 15.252 -3.808 -22.491 1.00 18.59 C +ATOM 1478 C GLY E 193 16.106 -3.666 -21.255 1.00 19.41 C +ATOM 1479 O GLY E 193 15.586 -3.597 -20.134 1.00100.00 O +ATOM 1480 N ARG E 194 17.413 -3.606 -21.463 1.00 39.98 N +ATOM 1481 CA ARG E 194 18.350 -3.475 -20.356 1.00 47.42 C +ATOM 1482 C ARG E 194 18.610 -2.023 -19.983 1.00 29.17 C +ATOM 1483 O ARG E 194 18.393 -1.097 -20.755 1.00 21.37 O +ATOM 1484 CB ARG E 194 19.699 -4.163 -20.657 1.00 54.52 C +ATOM 1485 CG ARG E 194 19.690 -5.697 -20.692 1.00 51.11 C +ATOM 1486 CD ARG E 194 20.788 -6.311 -21.588 1.00 51.05 C +ATOM 1487 NE ARG E 194 20.982 -5.598 -22.856 1.00 96.15 N +ATOM 1488 CZ ARG E 194 21.534 -6.087 -23.979 1.00100.00 C +ATOM 1489 NH1 ARG E 194 21.985 -7.337 -24.098 1.00 44.80 N +ATOM 1490 NH2 ARG E 194 21.620 -5.281 -25.037 1.00100.00 N +ATOM 1491 N THR E 195 19.104 -1.827 -18.785 1.00 16.46 N +ATOM 1492 CA THR E 195 19.422 -0.506 -18.366 1.00 28.04 C +ATOM 1493 C THR E 195 20.718 -0.673 -17.599 1.00 46.20 C +ATOM 1494 O THR E 195 21.051 -1.798 -17.216 1.00 15.89 O +ATOM 1495 CB THR E 195 18.243 0.219 -17.686 1.00 61.09 C +ATOM 1496 OG1 THR E 195 18.309 1.641 -17.793 1.00 17.29 O +ATOM 1497 CG2 THR E 195 18.120 -0.225 -16.256 1.00 12.40 C +ATOM 1498 N TRP E 196 21.473 0.397 -17.416 1.00 23.35 N +ATOM 1499 CA TRP E 196 22.759 0.272 -16.777 1.00 16.92 C +ATOM 1500 C TRP E 196 23.055 1.156 -15.577 1.00 19.19 C +ATOM 1501 O TRP E 196 24.121 1.015 -14.979 1.00 53.71 O +ATOM 1502 CB TRP E 196 23.828 0.566 -17.875 1.00 24.43 C +ATOM 1503 CG TRP E 196 24.026 -0.538 -18.885 1.00 20.09 C +ATOM 1504 CD1 TRP E 196 25.110 -1.375 -18.997 1.00 42.38 C +ATOM 1505 CD2 TRP E 196 23.174 -0.879 -19.963 1.00 17.51 C +ATOM 1506 NE1 TRP E 196 24.947 -2.259 -20.042 1.00 17.02 N +ATOM 1507 CE2 TRP E 196 23.770 -1.981 -20.655 1.00 11.56 C +ATOM 1508 CE3 TRP E 196 21.924 -0.422 -20.359 1.00 30.71 C +ATOM 1509 CZ2 TRP E 196 23.125 -2.597 -21.727 1.00 48.72 C +ATOM 1510 CZ3 TRP E 196 21.272 -1.056 -21.400 1.00 46.60 C +ATOM 1511 CH2 TRP E 196 21.866 -2.135 -22.078 1.00 74.70 C +ATOM 1512 N LEU E 198 23.773 2.787 -12.142 1.00 11.72 N +ATOM 1513 CA LEU E 198 24.034 2.229 -10.832 1.00 40.38 C +ATOM 1514 C LEU E 198 23.081 2.896 -9.875 1.00 12.07 C +ATOM 1515 O LEU E 198 23.280 4.019 -9.415 1.00 31.10 O +ATOM 1516 CB LEU E 198 25.504 2.342 -10.392 1.00 45.15 C +ATOM 1517 CG LEU E 198 25.996 1.077 -9.692 1.00100.00 C +ATOM 1518 CD1 LEU E 198 27.513 1.011 -9.700 1.00 48.27 C +ATOM 1519 CD2 LEU E 198 25.536 1.071 -8.250 1.00 9.73 C +ATOM 1520 N CYS E 199 22.016 2.229 -9.602 1.00 29.16 N +ATOM 1521 CA CYS E 199 21.031 2.830 -8.746 1.00 4.75 C +ATOM 1522 C CYS E 199 20.545 1.865 -7.728 1.00 12.07 C +ATOM 1523 O CYS E 199 20.416 0.681 -8.038 1.00 11.32 O +ATOM 1524 CB CYS E 199 19.781 3.148 -9.625 1.00 18.88 C +ATOM 1525 SG CYS E 199 19.889 4.664 -10.584 1.00 28.74 S +ATOM 1526 N GLY E 200 20.237 2.416 -6.549 1.00 12.31 N +ATOM 1527 CA GLY E 200 19.720 1.639 -5.452 1.00 7.68 C +ATOM 1528 C GLY E 200 20.166 2.129 -4.112 1.00 15.34 C +ATOM 1529 O GLY E 200 20.535 3.283 -3.905 1.00 30.94 O +ATOM 1530 N THR E 201 20.126 1.181 -3.203 1.00 22.32 N +ATOM 1531 CA THR E 201 20.535 1.344 -1.844 1.00 19.17 C +ATOM 1532 C THR E 201 21.400 0.110 -1.598 1.00 25.83 C +ATOM 1533 O THR E 201 20.967 -1.026 -1.784 1.00 18.58 O +ATOM 1534 CB THR E 201 19.304 1.504 -0.927 1.00 12.88 C +ATOM 1535 OG1 THR E 201 18.577 2.644 -1.337 1.00 23.95 O +ATOM 1536 CG2 THR E 201 19.727 1.699 0.516 1.00 5.88 C +ATOM 1537 N PRO E 202 22.645 0.361 -1.266 1.00 29.60 N +ATOM 1538 CA PRO E 202 23.662 -0.646 -1.057 1.00 21.19 C +ATOM 1539 C PRO E 202 23.241 -2.046 -0.676 1.00 20.51 C +ATOM 1540 O PRO E 202 23.530 -3.026 -1.380 1.00 17.43 O +ATOM 1541 CB PRO E 202 24.714 -0.068 -0.118 1.00 19.34 C +ATOM 1542 CG PRO E 202 24.349 1.407 0.035 1.00 42.82 C +ATOM 1543 CD PRO E 202 22.957 1.610 -0.539 1.00 12.58 C +ATOM 1544 N GLU E 203 22.575 -2.156 0.455 1.00 14.28 N +ATOM 1545 CA GLU E 203 22.171 -3.470 0.927 1.00 37.05 C +ATOM 1546 C GLU E 203 21.155 -4.148 0.035 1.00 60.65 C +ATOM 1547 O GLU E 203 20.949 -5.332 0.168 1.00 20.32 O +ATOM 1548 CB GLU E 203 21.628 -3.457 2.394 1.00 7.05 C +ATOM 1549 CG GLU E 203 22.605 -3.007 3.512 1.00 16.24 C +ATOM 1550 CD GLU E 203 22.768 -1.514 3.650 1.00 19.17 C +ATOM 1551 OE1 GLU E 203 22.373 -0.729 2.795 1.00 22.83 O +ATOM 1552 OE2 GLU E 203 23.392 -1.143 4.769 1.00 14.19 O +ATOM 1553 N TYR E 204 20.509 -3.405 -0.856 1.00 18.38 N +ATOM 1554 CA TYR E 204 19.471 -3.978 -1.682 1.00 8.73 C +ATOM 1555 C TYR E 204 19.920 -4.225 -3.097 1.00 40.71 C +ATOM 1556 O TYR E 204 19.201 -4.777 -3.931 1.00 25.15 O +ATOM 1557 CB TYR E 204 18.169 -3.106 -1.552 1.00 16.13 C +ATOM 1558 CG TYR E 204 17.419 -3.474 -0.278 1.00 20.31 C +ATOM 1559 CD1 TYR E 204 17.837 -3.012 0.968 1.00 13.96 C +ATOM 1560 CD2 TYR E 204 16.344 -4.368 -0.310 1.00 39.76 C +ATOM 1561 CE1 TYR E 204 17.198 -3.416 2.143 1.00 17.83 C +ATOM 1562 CE2 TYR E 204 15.687 -4.775 0.852 1.00 15.11 C +ATOM 1563 CZ TYR E 204 16.117 -4.292 2.087 1.00 25.05 C +ATOM 1564 OH TYR E 204 15.486 -4.684 3.236 1.00 18.23 O +ATOM 1565 N LEU E 205 21.133 -3.813 -3.364 1.00 11.31 N +ATOM 1566 CA LEU E 205 21.686 -3.987 -4.696 1.00 15.81 C +ATOM 1567 C LEU E 205 21.894 -5.453 -5.114 1.00 37.93 C +ATOM 1568 O LEU E 205 22.463 -6.250 -4.367 1.00 31.24 O +ATOM 1569 CB LEU E 205 22.996 -3.220 -4.818 1.00 15.44 C +ATOM 1570 CG LEU E 205 22.791 -1.724 -4.680 1.00 16.32 C +ATOM 1571 CD1 LEU E 205 23.973 -1.016 -5.318 1.00 53.66 C +ATOM 1572 CD2 LEU E 205 21.487 -1.300 -5.351 1.00 35.21 C +ATOM 1573 N ALA E 206 21.430 -5.785 -6.331 1.00 24.14 N +ATOM 1574 CA ALA E 206 21.536 -7.117 -6.937 1.00 27.96 C +ATOM 1575 C ALA E 206 22.924 -7.302 -7.535 1.00 23.89 C +ATOM 1576 O ALA E 206 23.506 -6.312 -8.003 1.00 50.33 O +ATOM 1577 CB ALA E 206 20.520 -7.260 -8.055 1.00 37.90 C +ATOM 1578 N PRO E 207 23.448 -8.553 -7.527 1.00 18.00 N +ATOM 1579 CA PRO E 207 24.802 -8.819 -8.063 1.00 19.37 C +ATOM 1580 C PRO E 207 25.099 -8.126 -9.392 1.00 14.52 C +ATOM 1581 O PRO E 207 26.079 -7.376 -9.458 1.00 26.01 O +ATOM 1582 CB PRO E 207 25.015 -10.343 -8.090 1.00 7.83 C +ATOM 1583 CG PRO E 207 23.733 -10.957 -7.503 1.00 13.69 C +ATOM 1584 CD PRO E 207 22.688 -9.842 -7.414 1.00 3.46 C +ATOM 1585 N GLU E 208 24.232 -8.340 -10.426 1.00 16.63 N +ATOM 1586 CA GLU E 208 24.400 -7.728 -11.729 1.00 12.12 C +ATOM 1587 C GLU E 208 24.440 -6.220 -11.720 1.00 33.00 C +ATOM 1588 O GLU E 208 24.918 -5.636 -12.675 1.00 21.17 O +ATOM 1589 CB GLU E 208 23.389 -8.154 -12.796 1.00 12.61 C +ATOM 1590 CG GLU E 208 22.544 -9.325 -12.377 1.00 76.77 C +ATOM 1591 CD GLU E 208 21.212 -8.833 -11.973 1.00 39.65 C +ATOM 1592 OE1 GLU E 208 20.528 -8.065 -12.623 1.00 71.85 O +ATOM 1593 OE2 GLU E 208 20.877 -9.340 -10.848 1.00 8.25 O +ATOM 1594 N ILE E 209 23.917 -5.568 -10.688 1.00 24.06 N +ATOM 1595 CA ILE E 209 23.996 -4.120 -10.731 1.00 20.53 C +ATOM 1596 C ILE E 209 25.407 -3.692 -10.361 1.00 22.57 C +ATOM 1597 O ILE E 209 26.059 -2.918 -11.095 1.00 28.45 O +ATOM 1598 CB ILE E 209 22.988 -3.396 -9.849 1.00 14.54 C +ATOM 1599 CG1 ILE E 209 21.565 -3.791 -10.161 1.00 5.60 C +ATOM 1600 CG2 ILE E 209 23.127 -1.881 -10.046 1.00 16.98 C +ATOM 1601 CD1 ILE E 209 20.583 -3.041 -9.258 1.00 12.84 C +ATOM 1602 N ILE E 210 25.845 -4.213 -9.197 1.00 18.12 N +ATOM 1603 CA ILE E 210 27.173 -3.940 -8.679 1.00 10.54 C +ATOM 1604 C ILE E 210 28.230 -4.380 -9.670 1.00 39.60 C +ATOM 1605 O ILE E 210 29.356 -3.910 -9.616 1.00 28.25 O +ATOM 1606 CB ILE E 210 27.566 -4.209 -7.188 1.00 46.75 C +ATOM 1607 CG1 ILE E 210 28.879 -4.952 -7.075 1.00 20.78 C +ATOM 1608 CG2 ILE E 210 26.555 -4.799 -6.195 1.00 8.18 C +ATOM 1609 CD1 ILE E 210 30.032 -4.009 -6.783 1.00 62.75 C +ATOM 1610 N LEU E 211 27.820 -5.262 -10.582 1.00 34.14 N +ATOM 1611 CA LEU E 211 28.692 -5.805 -11.590 1.00 23.53 C +ATOM 1612 C LEU E 211 28.730 -5.022 -12.887 1.00 70.49 C +ATOM 1613 O LEU E 211 29.432 -5.402 -13.825 1.00 28.48 O +ATOM 1614 CB LEU E 211 28.404 -7.286 -11.842 1.00 35.15 C +ATOM 1615 CG LEU E 211 28.950 -8.164 -10.729 1.00 29.33 C +ATOM 1616 CD1 LEU E 211 29.102 -9.588 -11.238 1.00 21.41 C +ATOM 1617 CD2 LEU E 211 30.296 -7.628 -10.248 1.00 33.32 C +ATOM 1618 N SER E 212 27.974 -3.927 -12.941 1.00 39.98 N +ATOM 1619 CA SER E 212 27.960 -3.086 -14.131 1.00 18.21 C +ATOM 1620 C SER E 212 27.718 -3.925 -15.379 1.00100.00 C +ATOM 1621 O SER E 212 28.352 -3.719 -16.418 1.00 60.76 O +ATOM 1622 CB SER E 212 29.295 -2.355 -14.251 1.00 18.42 C +ATOM 1623 OG SER E 212 29.240 -1.121 -13.571 1.00 80.69 O +ATOM 1624 N LYS E 213 26.789 -4.879 -15.272 1.00 21.36 N +ATOM 1625 CA LYS E 213 26.519 -5.777 -16.376 1.00 41.05 C +ATOM 1626 C LYS E 213 25.266 -5.630 -17.229 1.00100.00 C +ATOM 1627 O LYS E 213 25.076 -6.386 -18.188 1.00 80.57 O +ATOM 1628 CB LYS E 213 26.843 -7.214 -16.003 1.00 29.31 C +ATOM 1629 CG LYS E 213 25.723 -8.018 -15.380 1.00 59.24 C +ATOM 1630 CD LYS E 213 26.199 -9.421 -14.991 1.00100.00 C +ATOM 1631 CE LYS E 213 25.372 -10.559 -15.586 1.00100.00 C +ATOM 1632 NZ LYS E 213 25.482 -11.819 -14.825 1.00100.00 N +ATOM 1633 N GLY E 214 24.415 -4.671 -16.928 1.00 38.70 N +ATOM 1634 CA GLY E 214 23.223 -4.551 -17.748 1.00 23.58 C +ATOM 1635 C GLY E 214 22.169 -5.335 -17.005 1.00 27.08 C +ATOM 1636 O GLY E 214 22.432 -6.449 -16.569 1.00 43.08 O +ATOM 1637 N TYR E 215 21.012 -4.754 -16.805 1.00 29.44 N +ATOM 1638 CA TYR E 215 19.992 -5.473 -16.064 1.00 19.29 C +ATOM 1639 C TYR E 215 18.537 -5.168 -16.455 1.00 28.13 C +ATOM 1640 O TYR E 215 18.216 -4.317 -17.315 1.00 37.24 O +ATOM 1641 CB TYR E 215 20.255 -5.371 -14.550 1.00 13.66 C +ATOM 1642 CG TYR E 215 20.280 -3.923 -14.077 1.00 23.92 C +ATOM 1643 CD1 TYR E 215 21.440 -3.150 -14.107 1.00 15.17 C +ATOM 1644 CD2 TYR E 215 19.120 -3.324 -13.587 1.00 21.74 C +ATOM 1645 CE1 TYR E 215 21.438 -1.815 -13.681 1.00 30.22 C +ATOM 1646 CE2 TYR E 215 19.095 -1.992 -13.179 1.00 20.47 C +ATOM 1647 CZ TYR E 215 20.262 -1.228 -13.212 1.00 24.15 C +ATOM 1648 OH TYR E 215 20.226 0.103 -12.818 1.00 20.47 O +ATOM 1649 N ASN E 216 17.648 -5.906 -15.790 1.00 19.06 N +ATOM 1650 CA ASN E 216 16.220 -5.811 -15.995 1.00 33.09 C +ATOM 1651 C ASN E 216 15.468 -5.983 -14.697 1.00 19.36 C +ATOM 1652 O ASN E 216 16.005 -5.827 -13.621 1.00 28.69 O +ATOM 1653 CB ASN E 216 15.759 -6.902 -16.945 1.00 36.43 C +ATOM 1654 CG ASN E 216 16.108 -8.274 -16.385 1.00 25.71 C +ATOM 1655 OD1 ASN E 216 16.657 -8.414 -15.277 1.00 43.47 O +ATOM 1656 ND2 ASN E 216 15.794 -9.298 -17.169 1.00 25.69 N +ATOM 1657 N LYS E 217 14.217 -6.312 -14.841 1.00 16.48 N +ATOM 1658 CA LYS E 217 13.282 -6.518 -13.748 1.00 28.33 C +ATOM 1659 C LYS E 217 13.753 -7.502 -12.658 1.00 81.19 C +ATOM 1660 O LYS E 217 13.377 -7.418 -11.478 1.00 21.44 O +ATOM 1661 CB LYS E 217 11.906 -6.886 -14.343 1.00 24.89 C +ATOM 1662 CG LYS E 217 11.555 -6.094 -15.608 1.00 66.83 C +ATOM 1663 CD LYS E 217 10.640 -4.886 -15.362 1.00100.00 C +ATOM 1664 CE LYS E 217 9.911 -4.369 -16.606 1.00100.00 C +ATOM 1665 NZ LYS E 217 10.774 -3.615 -17.547 1.00 75.15 N +ATOM 1666 N ALA E 218 14.585 -8.461 -13.036 1.00 33.87 N +ATOM 1667 CA ALA E 218 15.070 -9.439 -12.060 1.00 19.75 C +ATOM 1668 C ALA E 218 15.613 -8.762 -10.775 1.00 23.05 C +ATOM 1669 O ALA E 218 15.582 -9.310 -9.651 1.00 22.71 O +ATOM 1670 CB ALA E 218 16.023 -10.439 -12.720 1.00 19.97 C +ATOM 1671 N VAL E 219 16.089 -7.526 -10.937 1.00 22.05 N +ATOM 1672 CA VAL E 219 16.610 -6.757 -9.817 1.00 10.75 C +ATOM 1673 C VAL E 219 15.516 -6.490 -8.801 1.00 50.78 C +ATOM 1674 O VAL E 219 15.724 -6.452 -7.582 1.00 16.94 O +ATOM 1675 CB VAL E 219 17.393 -5.524 -10.220 1.00 12.50 C +ATOM 1676 CG1 VAL E 219 18.526 -5.930 -11.177 1.00 7.44 C +ATOM 1677 CG2 VAL E 219 16.449 -4.471 -10.833 1.00 6.61 C +ATOM 1678 N ASP E 220 14.312 -6.337 -9.296 1.00 7.74 N +ATOM 1679 CA ASP E 220 13.236 -6.116 -8.338 1.00 1.00 C +ATOM 1680 C ASP E 220 13.027 -7.380 -7.481 1.00 52.13 C +ATOM 1681 O ASP E 220 12.812 -7.348 -6.259 1.00 17.17 O +ATOM 1682 CB ASP E 220 11.972 -5.527 -9.005 1.00 3.03 C +ATOM 1683 CG ASP E 220 12.150 -4.047 -9.161 1.00 47.86 C +ATOM 1684 OD1 ASP E 220 12.980 -3.453 -8.516 1.00 14.55 O +ATOM 1685 OD2 ASP E 220 11.388 -3.474 -10.063 1.00 14.00 O +ATOM 1686 N TRP E 221 13.154 -8.527 -8.141 1.00 3.66 N +ATOM 1687 CA TRP E 221 12.993 -9.810 -7.470 1.00 36.95 C +ATOM 1688 C TRP E 221 14.063 -10.101 -6.446 1.00 16.66 C +ATOM 1689 O TRP E 221 13.780 -10.525 -5.322 1.00 26.01 O +ATOM 1690 CB TRP E 221 12.642 -10.960 -8.405 1.00 11.40 C +ATOM 1691 CG TRP E 221 11.335 -10.680 -9.083 1.00 10.11 C +ATOM 1692 CD1 TRP E 221 11.186 -10.500 -10.415 1.00 29.95 C +ATOM 1693 CD2 TRP E 221 10.023 -10.507 -8.502 1.00 25.03 C +ATOM 1694 NE1 TRP E 221 9.870 -10.227 -10.703 1.00 17.48 N +ATOM 1695 CE2 TRP E 221 9.125 -10.242 -9.561 1.00 43.96 C +ATOM 1696 CE3 TRP E 221 9.516 -10.534 -7.219 1.00 9.79 C +ATOM 1697 CZ2 TRP E 221 7.752 -10.019 -9.370 1.00 15.48 C +ATOM 1698 CZ3 TRP E 221 8.157 -10.338 -7.028 1.00 30.92 C +ATOM 1699 CH2 TRP E 221 7.282 -10.079 -8.085 1.00 22.45 C +ATOM 1700 N TRP E 222 15.304 -9.844 -6.804 1.00 25.08 N +ATOM 1701 CA TRP E 222 16.374 -10.045 -5.836 1.00 14.25 C +ATOM 1702 C TRP E 222 16.075 -9.232 -4.572 1.00 14.97 C +ATOM 1703 O TRP E 222 16.088 -9.733 -3.443 1.00 22.92 O +ATOM 1704 CB TRP E 222 17.694 -9.499 -6.431 1.00 18.10 C +ATOM 1705 CG TRP E 222 18.817 -9.486 -5.451 1.00 16.65 C +ATOM 1706 CD1 TRP E 222 19.098 -8.485 -4.576 1.00 21.93 C +ATOM 1707 CD2 TRP E 222 19.811 -10.509 -5.247 1.00 40.86 C +ATOM 1708 NE1 TRP E 222 20.190 -8.824 -3.823 1.00 26.17 N +ATOM 1709 CE2 TRP E 222 20.659 -10.052 -4.212 1.00 23.02 C +ATOM 1710 CE3 TRP E 222 20.066 -11.758 -5.832 1.00 37.60 C +ATOM 1711 CZ2 TRP E 222 21.755 -10.813 -3.764 1.00 17.84 C +ATOM 1712 CZ3 TRP E 222 21.140 -12.517 -5.391 1.00 24.73 C +ATOM 1713 CH2 TRP E 222 21.981 -12.042 -4.368 1.00 24.83 C +ATOM 1714 N ALA E 223 15.815 -7.928 -4.787 1.00 22.27 N +ATOM 1715 CA ALA E 223 15.515 -6.998 -3.688 1.00 21.07 C +ATOM 1716 C ALA E 223 14.323 -7.483 -2.856 1.00 17.83 C +ATOM 1717 O ALA E 223 14.138 -7.173 -1.683 1.00 27.55 O +ATOM 1718 CB ALA E 223 15.297 -5.551 -4.153 1.00 4.84 C +ATOM 1719 N LEU E 224 13.475 -8.266 -3.461 1.00 34.43 N +ATOM 1720 CA LEU E 224 12.393 -8.704 -2.635 1.00 9.85 C +ATOM 1721 C LEU E 224 12.900 -9.720 -1.620 1.00 21.71 C +ATOM 1722 O LEU E 224 12.501 -9.700 -0.471 1.00 28.68 O +ATOM 1723 CB LEU E 224 11.230 -9.295 -3.448 1.00 14.91 C +ATOM 1724 CG LEU E 224 10.108 -9.729 -2.532 1.00 37.62 C +ATOM 1725 CD1 LEU E 224 9.729 -8.623 -1.547 1.00 16.91 C +ATOM 1726 CD2 LEU E 224 8.925 -10.023 -3.392 1.00 15.82 C +ATOM 1727 N GLY E 225 13.780 -10.632 -2.056 1.00 9.32 N +ATOM 1728 CA GLY E 225 14.304 -11.648 -1.138 1.00 21.93 C +ATOM 1729 C GLY E 225 15.047 -10.994 -0.007 1.00 27.29 C +ATOM 1730 O GLY E 225 14.967 -11.388 1.149 1.00 28.28 O +ATOM 1731 N VAL E 226 15.771 -9.950 -0.361 1.00 32.22 N +ATOM 1732 CA VAL E 226 16.500 -9.229 0.641 1.00 8.64 C +ATOM 1733 C VAL E 226 15.521 -8.662 1.696 1.00 16.31 C +ATOM 1734 O VAL E 226 15.794 -8.614 2.894 1.00 4.64 O +ATOM 1735 CB VAL E 226 17.296 -8.045 0.037 1.00 11.43 C +ATOM 1736 CG1 VAL E 226 17.604 -7.074 1.171 1.00 35.54 C +ATOM 1737 CG2 VAL E 226 18.625 -8.424 -0.656 1.00 2.59 C +ATOM 1738 N LEU E 227 14.384 -8.183 1.214 1.00 18.63 N +ATOM 1739 CA LEU E 227 13.358 -7.576 2.058 1.00 35.79 C +ATOM 1740 C LEU E 227 12.772 -8.587 2.988 1.00 18.60 C +ATOM 1741 O LEU E 227 12.787 -8.373 4.202 1.00 27.08 O +ATOM 1742 CB LEU E 227 12.266 -6.825 1.268 1.00 18.95 C +ATOM 1743 CG LEU E 227 11.362 -5.958 2.121 1.00 31.05 C +ATOM 1744 CD1 LEU E 227 11.914 -4.542 2.164 1.00 13.59 C +ATOM 1745 CD2 LEU E 227 10.006 -5.900 1.450 1.00 26.23 C +ATOM 1746 N ILE E 228 12.269 -9.700 2.409 1.00 34.40 N +ATOM 1747 CA ILE E 228 11.673 -10.799 3.177 1.00 20.41 C +ATOM 1748 C ILE E 228 12.682 -11.286 4.198 1.00 39.27 C +ATOM 1749 O ILE E 228 12.372 -11.543 5.348 1.00 24.94 O +ATOM 1750 CB ILE E 228 11.214 -11.971 2.297 1.00 44.95 C +ATOM 1751 CG1 ILE E 228 10.011 -11.595 1.437 1.00 7.25 C +ATOM 1752 CG2 ILE E 228 10.851 -13.206 3.118 1.00 3.17 C +ATOM 1753 CD1 ILE E 228 9.784 -12.613 0.305 1.00 24.56 C +ATOM 1754 N TYR E 229 13.922 -11.411 3.778 1.00 31.17 N +ATOM 1755 CA TYR E 229 14.910 -11.880 4.704 1.00 11.45 C +ATOM 1756 C TYR E 229 15.006 -10.953 5.905 1.00 12.63 C +ATOM 1757 O TYR E 229 14.856 -11.379 7.029 1.00 21.75 O +ATOM 1758 CB TYR E 229 16.238 -12.065 3.968 1.00 14.51 C +ATOM 1759 CG TYR E 229 17.384 -12.507 4.826 1.00 7.08 C +ATOM 1760 CD1 TYR E 229 17.881 -11.718 5.871 1.00 23.09 C +ATOM 1761 CD2 TYR E 229 17.953 -13.765 4.584 1.00 21.16 C +ATOM 1762 CE1 TYR E 229 18.921 -12.167 6.693 1.00 9.61 C +ATOM 1763 CE2 TYR E 229 19.003 -14.230 5.380 1.00 7.42 C +ATOM 1764 CZ TYR E 229 19.475 -13.423 6.414 1.00 25.29 C +ATOM 1765 OH TYR E 229 20.502 -13.889 7.143 1.00 27.10 O +ATOM 1766 N GLU E 230 15.240 -9.671 5.635 1.00 31.30 N +ATOM 1767 CA GLU E 230 15.381 -8.651 6.667 1.00 3.22 C +ATOM 1768 C GLU E 230 14.196 -8.585 7.590 1.00 38.16 C +ATOM 1769 O GLU E 230 14.357 -8.524 8.789 1.00 18.78 O +ATOM 1770 CB GLU E 230 15.672 -7.236 6.094 1.00 15.09 C +ATOM 1771 CG GLU E 230 15.856 -6.150 7.185 1.00 16.62 C +ATOM 1772 CD GLU E 230 16.477 -4.861 6.708 1.00 41.16 C +ATOM 1773 OE1 GLU E 230 16.531 -4.683 5.405 1.00 19.78 O +ATOM 1774 OE2 GLU E 230 16.881 -4.044 7.473 1.00 23.84 O +ATOM 1775 N MET E 231 13.001 -8.578 7.031 1.00 31.46 N +ATOM 1776 CA MET E 231 11.810 -8.518 7.870 1.00 17.53 C +ATOM 1777 C MET E 231 11.760 -9.712 8.834 1.00 24.86 C +ATOM 1778 O MET E 231 11.497 -9.492 10.032 1.00 15.96 O +ATOM 1779 CB MET E 231 10.476 -8.463 7.068 1.00 26.02 C +ATOM 1780 CG MET E 231 10.302 -7.308 6.097 1.00 52.04 C +ATOM 1781 SD MET E 231 8.646 -7.218 5.348 1.00 31.17 S +ATOM 1782 CE MET E 231 8.598 -8.710 4.321 1.00 6.31 C +ATOM 1783 N ALA E 232 11.996 -10.963 8.302 1.00 27.80 N +ATOM 1784 CA ALA E 232 11.952 -12.212 9.117 1.00 21.71 C +ATOM 1785 C ALA E 232 13.115 -12.385 10.061 1.00 21.11 C +ATOM 1786 O ALA E 232 12.929 -12.839 11.184 1.00 66.13 O +ATOM 1787 CB ALA E 232 11.719 -13.481 8.309 1.00 19.86 C +ATOM 1788 N ALA E 233 14.312 -11.998 9.592 1.00 29.34 N +ATOM 1789 CA ALA E 233 15.527 -12.092 10.379 1.00 17.76 C +ATOM 1790 C ALA E 233 15.768 -10.910 11.290 1.00 35.67 C +ATOM 1791 O ALA E 233 16.247 -11.091 12.418 1.00 27.32 O +ATOM 1792 CB ALA E 233 16.733 -12.290 9.474 1.00 20.30 C +ATOM 1793 N GLY E 234 15.468 -9.696 10.806 1.00 20.06 N +ATOM 1794 CA GLY E 234 15.706 -8.510 11.643 1.00 29.18 C +ATOM 1795 C GLY E 234 16.974 -7.739 11.235 1.00 23.92 C +ATOM 1796 O GLY E 234 17.351 -6.713 11.793 1.00 24.38 O +ATOM 1797 N TYR E 235 17.618 -8.250 10.221 1.00 45.14 N +ATOM 1798 CA TYR E 235 18.798 -7.649 9.683 1.00 16.88 C +ATOM 1799 C TYR E 235 18.923 -8.121 8.248 1.00 38.11 C +ATOM 1800 O TYR E 235 18.250 -9.039 7.788 1.00 35.49 O +ATOM 1801 CB TYR E 235 20.066 -7.946 10.513 1.00 22.13 C +ATOM 1802 CG TYR E 235 20.252 -9.423 10.779 1.00 10.18 C +ATOM 1803 CD1 TYR E 235 20.793 -10.240 9.790 1.00 46.72 C +ATOM 1804 CD2 TYR E 235 19.835 -10.006 11.975 1.00 30.25 C +ATOM 1805 CE1 TYR E 235 20.944 -11.609 10.005 1.00 13.41 C +ATOM 1806 CE2 TYR E 235 19.985 -11.372 12.216 1.00 14.84 C +ATOM 1807 CZ TYR E 235 20.552 -12.168 11.218 1.00 28.71 C +ATOM 1808 OH TYR E 235 20.722 -13.511 11.416 1.00 50.29 O +ATOM 1809 N PRO E 236 19.783 -7.487 7.536 1.00 24.52 N +ATOM 1810 CA PRO E 236 19.975 -7.860 6.167 1.00 29.62 C +ATOM 1811 C PRO E 236 20.902 -9.056 6.082 1.00 14.19 C +ATOM 1812 O PRO E 236 21.700 -9.279 6.987 1.00 43.18 O +ATOM 1813 CB PRO E 236 20.636 -6.644 5.497 1.00 46.89 C +ATOM 1814 CG PRO E 236 20.750 -5.542 6.542 1.00 26.17 C +ATOM 1815 CD PRO E 236 20.339 -6.149 7.868 1.00 20.81 C +ATOM 1816 N PRO E 237 20.789 -9.809 4.982 1.00 37.70 N +ATOM 1817 CA PRO E 237 21.620 -10.973 4.740 1.00 48.97 C +ATOM 1818 C PRO E 237 23.079 -10.540 4.582 1.00 30.89 C +ATOM 1819 O PRO E 237 24.002 -11.255 4.963 1.00 47.63 O +ATOM 1820 CB PRO E 237 21.132 -11.574 3.414 1.00 25.45 C +ATOM 1821 CG PRO E 237 20.313 -10.496 2.704 1.00 21.06 C +ATOM 1822 CD PRO E 237 20.058 -9.404 3.745 1.00 25.76 C +ATOM 1823 N PHE E 238 23.267 -9.361 3.979 1.00 23.32 N +ATOM 1824 CA PHE E 238 24.587 -8.813 3.792 1.00 32.88 C +ATOM 1825 C PHE E 238 24.632 -7.417 4.317 1.00 71.21 C +ATOM 1826 O PHE E 238 23.865 -6.539 3.897 1.00 39.60 O +ATOM 1827 CB PHE E 238 25.227 -8.901 2.386 1.00 32.25 C +ATOM 1828 CG PHE E 238 24.552 -9.868 1.465 1.00 19.98 C +ATOM 1829 CD1 PHE E 238 23.347 -9.518 0.857 1.00 24.89 C +ATOM 1830 CD2 PHE E 238 25.122 -11.114 1.198 1.00 23.47 C +ATOM 1831 CE1 PHE E 238 22.699 -10.399 -0.002 1.00 34.38 C +ATOM 1832 CE2 PHE E 238 24.483 -12.014 0.346 1.00 5.54 C +ATOM 1833 CZ PHE E 238 23.269 -11.650 -0.240 1.00 21.11 C +ATOM 1834 N PHE E 239 25.544 -7.260 5.250 1.00 23.78 N +ATOM 1835 CA PHE E 239 25.768 -6.005 5.906 1.00 42.51 C +ATOM 1836 C PHE E 239 27.205 -5.941 6.364 1.00 52.76 C +ATOM 1837 O PHE E 239 27.803 -6.964 6.604 1.00 35.35 O +ATOM 1838 CB PHE E 239 24.779 -5.791 7.078 1.00 32.10 C +ATOM 1839 CG PHE E 239 24.955 -6.729 8.253 1.00 12.90 C +ATOM 1840 CD1 PHE E 239 25.954 -6.506 9.205 1.00 22.51 C +ATOM 1841 CD2 PHE E 239 24.126 -7.843 8.418 1.00 25.93 C +ATOM 1842 CE1 PHE E 239 26.102 -7.366 10.298 1.00 21.02 C +ATOM 1843 CE2 PHE E 239 24.254 -8.709 9.507 1.00 24.18 C +ATOM 1844 CZ PHE E 239 25.253 -8.470 10.453 1.00 18.08 C +ATOM 1845 N ALA E 240 27.744 -4.738 6.460 1.00 15.87 N +ATOM 1846 CA ALA E 240 29.105 -4.473 6.896 1.00 24.70 C +ATOM 1847 C ALA E 240 29.103 -3.034 7.317 1.00 34.00 C +ATOM 1848 O ALA E 240 28.027 -2.417 7.312 1.00 32.71 O +ATOM 1849 CB ALA E 240 30.100 -4.683 5.765 1.00 8.69 C +ATOM 1850 N ASP E 241 30.264 -2.477 7.656 1.00 21.36 N +ATOM 1851 CA ASP E 241 30.251 -1.071 8.051 1.00 43.50 C +ATOM 1852 C ASP E 241 30.308 -0.075 6.891 1.00 36.40 C +ATOM 1853 O ASP E 241 29.821 1.050 7.002 1.00 99.99 O +ATOM 1854 CB ASP E 241 31.130 -0.688 9.247 1.00 12.15 C +ATOM 1855 CG ASP E 241 30.750 -1.442 10.486 1.00100.00 C +ATOM 1856 OD1 ASP E 241 29.589 -1.613 10.830 1.00 34.29 O +ATOM 1857 OD2 ASP E 241 31.798 -1.900 11.136 1.00 57.98 O +ATOM 1858 N GLN E 242 30.900 -0.488 5.773 1.00 92.21 N +ATOM 1859 CA GLN E 242 30.972 0.375 4.615 1.00 36.89 C +ATOM 1860 C GLN E 242 30.399 -0.353 3.442 1.00 20.81 C +ATOM 1861 O GLN E 242 30.414 -1.577 3.404 1.00 52.75 O +ATOM 1862 CB GLN E 242 32.372 0.945 4.313 1.00 74.26 C +ATOM 1863 CG GLN E 242 33.521 0.261 5.072 1.00 61.85 C +ATOM 1864 CD GLN E 242 34.850 0.434 4.359 1.00100.00 C +ATOM 1865 OE1 GLN E 242 34.895 0.916 3.213 1.00100.00 O +ATOM 1866 NE2 GLN E 242 35.938 0.055 5.033 1.00100.00 N +ATOM 1867 N PRO E 243 29.900 0.398 2.477 1.00 28.99 N +ATOM 1868 CA PRO E 243 29.297 -0.165 1.277 1.00 13.20 C +ATOM 1869 C PRO E 243 30.090 -1.176 0.458 1.00 16.84 C +ATOM 1870 O PRO E 243 29.589 -2.254 0.130 1.00 34.05 O +ATOM 1871 CB PRO E 243 28.694 1.014 0.509 1.00 27.70 C +ATOM 1872 CG PRO E 243 28.437 2.087 1.573 1.00 18.54 C +ATOM 1873 CD PRO E 243 29.349 1.751 2.760 1.00 23.01 C +ATOM 1874 N ILE E 244 31.326 -0.843 0.127 1.00 29.44 N +ATOM 1875 CA ILE E 244 32.189 -1.733 -0.628 1.00 20.69 C +ATOM 1876 C ILE E 244 32.254 -3.126 -0.006 1.00 23.45 C +ATOM 1877 O ILE E 244 32.234 -4.144 -0.704 1.00 28.85 O +ATOM 1878 CB ILE E 244 33.593 -1.145 -0.820 1.00 42.59 C +ATOM 1879 CG1 ILE E 244 34.371 -1.165 0.492 1.00 69.19 C +ATOM 1880 CG2 ILE E 244 33.480 0.283 -1.344 1.00100.00 C +ATOM 1881 CD1 ILE E 244 35.842 -0.787 0.324 1.00100.00 C +ATOM 1882 N GLN E 245 32.330 -3.189 1.320 1.00 25.78 N +ATOM 1883 CA GLN E 245 32.357 -4.499 1.949 1.00 30.33 C +ATOM 1884 C GLN E 245 31.043 -5.247 1.684 1.00 43.20 C +ATOM 1885 O GLN E 245 31.029 -6.460 1.472 1.00 44.72 O +ATOM 1886 CB GLN E 245 32.879 -4.565 3.409 1.00 32.79 C +ATOM 1887 CG GLN E 245 33.159 -3.187 4.076 1.00100.00 C +ATOM 1888 CD GLN E 245 33.387 -3.249 5.590 1.00100.00 C +ATOM 1889 OE1 GLN E 245 33.177 -2.265 6.320 1.00 43.89 O +ATOM 1890 NE2 GLN E 245 33.821 -4.412 6.071 1.00100.00 N +ATOM 1891 N ILE E 246 29.928 -4.510 1.650 1.00 15.19 N +ATOM 1892 CA ILE E 246 28.641 -5.132 1.353 1.00 40.77 C +ATOM 1893 C ILE E 246 28.586 -5.722 -0.074 1.00 6.74 C +ATOM 1894 O ILE E 246 28.236 -6.871 -0.313 1.00 39.03 O +ATOM 1895 CB ILE E 246 27.528 -4.109 1.459 1.00 29.73 C +ATOM 1896 CG1 ILE E 246 27.541 -3.416 2.814 1.00 12.36 C +ATOM 1897 CG2 ILE E 246 26.202 -4.814 1.244 1.00 26.51 C +ATOM 1898 CD1 ILE E 246 26.352 -2.482 3.034 1.00 14.70 C +ATOM 1899 N TYR E 247 28.930 -4.899 -1.040 1.00 24.07 N +ATOM 1900 CA TYR E 247 28.932 -5.299 -2.428 1.00 28.30 C +ATOM 1901 C TYR E 247 29.674 -6.578 -2.659 1.00 23.65 C +ATOM 1902 O TYR E 247 29.345 -7.403 -3.522 1.00 23.22 O +ATOM 1903 CB TYR E 247 29.713 -4.253 -3.197 1.00 10.07 C +ATOM 1904 CG TYR E 247 29.007 -2.957 -3.138 1.00 23.86 C +ATOM 1905 CD1 TYR E 247 27.676 -2.906 -2.722 1.00 9.74 C +ATOM 1906 CD2 TYR E 247 29.665 -1.788 -3.514 1.00 14.71 C +ATOM 1907 CE1 TYR E 247 26.993 -1.689 -2.660 1.00 11.93 C +ATOM 1908 CE2 TYR E 247 28.999 -0.564 -3.448 1.00 64.77 C +ATOM 1909 CZ TYR E 247 27.669 -0.521 -3.027 1.00 28.36 C +ATOM 1910 OH TYR E 247 27.031 0.678 -2.988 1.00 40.43 O +ATOM 1911 N GLU E 248 30.715 -6.689 -1.873 1.00 23.00 N +ATOM 1912 CA GLU E 248 31.620 -7.804 -1.918 1.00 20.16 C +ATOM 1913 C GLU E 248 30.999 -9.087 -1.377 1.00 32.21 C +ATOM 1914 O GLU E 248 31.207 -10.190 -1.914 1.00 21.90 O +ATOM 1915 CB GLU E 248 32.886 -7.341 -1.169 1.00 29.42 C +ATOM 1916 CG GLU E 248 34.077 -8.301 -1.197 1.00100.00 C +ATOM 1917 CD GLU E 248 35.147 -7.804 -0.268 1.00100.00 C +ATOM 1918 OE1 GLU E 248 35.848 -6.804 -0.778 1.00 51.65 O +ATOM 1919 OE2 GLU E 248 35.325 -8.270 0.844 1.00100.00 O +ATOM 1920 N LYS E 249 30.233 -8.938 -0.289 1.00 52.54 N +ATOM 1921 CA LYS E 249 29.566 -10.075 0.317 1.00 48.13 C +ATOM 1922 C LYS E 249 28.463 -10.495 -0.605 1.00 15.24 C +ATOM 1923 O LYS E 249 28.238 -11.672 -0.843 1.00 19.34 O +ATOM 1924 CB LYS E 249 28.917 -9.778 1.660 1.00 27.00 C +ATOM 1925 CG LYS E 249 29.841 -9.264 2.736 1.00 46.75 C +ATOM 1926 CD LYS E 249 29.171 -9.300 4.102 1.00 87.88 C +ATOM 1927 CE LYS E 249 30.060 -8.780 5.219 1.00 35.18 C +ATOM 1928 NZ LYS E 249 31.153 -7.918 4.727 1.00100.00 N +ATOM 1929 N ILE E 250 27.755 -9.485 -1.103 1.00 23.28 N +ATOM 1930 CA ILE E 250 26.666 -9.730 -2.008 1.00 10.67 C +ATOM 1931 C ILE E 250 27.103 -10.557 -3.215 1.00 15.77 C +ATOM 1932 O ILE E 250 26.329 -11.367 -3.737 1.00 26.46 O +ATOM 1933 CB ILE E 250 26.063 -8.420 -2.543 1.00 35.05 C +ATOM 1934 CG1 ILE E 250 25.034 -7.839 -1.569 1.00 21.92 C +ATOM 1935 CG2 ILE E 250 25.398 -8.711 -3.902 1.00 9.48 C +ATOM 1936 CD1 ILE E 250 24.690 -6.390 -1.908 1.00 30.62 C +ATOM 1937 N VAL E 251 28.330 -10.336 -3.715 1.00 25.46 N +ATOM 1938 CA VAL E 251 28.732 -11.104 -4.891 1.00 54.02 C +ATOM 1939 C VAL E 251 29.304 -12.488 -4.598 1.00 33.01 C +ATOM 1940 O VAL E 251 29.309 -13.356 -5.476 1.00 53.95 O +ATOM 1941 CB VAL E 251 29.566 -10.307 -5.883 1.00 17.00 C +ATOM 1942 CG1 VAL E 251 28.793 -9.092 -6.363 1.00 20.80 C +ATOM 1943 CG2 VAL E 251 30.831 -9.819 -5.191 1.00100.00 C +ATOM 1944 N SER E 252 29.775 -12.675 -3.360 1.00100.00 N +ATOM 1945 CA SER E 252 30.356 -13.928 -2.880 1.00 27.04 C +ATOM 1946 C SER E 252 29.464 -15.107 -3.209 1.00 61.70 C +ATOM 1947 O SER E 252 29.914 -16.226 -3.443 1.00 57.24 O +ATOM 1948 CB SER E 252 30.556 -13.862 -1.387 1.00 18.06 C +ATOM 1949 OG SER E 252 29.295 -14.013 -0.761 1.00 39.23 O +ATOM 1950 N GLY E 253 28.179 -14.804 -3.207 1.00 19.49 N +ATOM 1951 CA GLY E 253 27.132 -15.745 -3.495 1.00 51.38 C +ATOM 1952 C GLY E 253 26.790 -16.595 -2.299 1.00 70.57 C +ATOM 1953 O GLY E 253 26.212 -17.663 -2.433 1.00 39.27 O +ATOM 1954 N LYS E 254 27.142 -16.127 -1.119 1.00 59.60 N +ATOM 1955 CA LYS E 254 26.855 -16.918 0.052 1.00 29.84 C +ATOM 1956 C LYS E 254 25.868 -16.285 0.977 1.00 25.81 C +ATOM 1957 O LYS E 254 26.016 -15.128 1.356 1.00 77.34 O +ATOM 1958 CB LYS E 254 28.114 -17.266 0.808 1.00 43.69 C +ATOM 1959 CG LYS E 254 28.953 -18.293 0.080 1.00 24.07 C +ATOM 1960 CD LYS E 254 30.147 -18.744 0.911 1.00100.00 C +ATOM 1961 CE LYS E 254 31.452 -18.062 0.512 1.00 31.21 C +ATOM 1962 NZ LYS E 254 31.899 -17.022 1.464 1.00 41.03 N +ATOM 1963 N VAL E 255 24.871 -17.081 1.353 1.00 44.34 N +ATOM 1964 CA VAL E 255 23.838 -16.631 2.253 1.00 28.29 C +ATOM 1965 C VAL E 255 23.650 -17.558 3.429 1.00 61.34 C +ATOM 1966 O VAL E 255 23.715 -18.779 3.313 1.00 43.58 O +ATOM 1967 CB VAL E 255 22.508 -16.367 1.574 1.00 20.63 C +ATOM 1968 CG1 VAL E 255 21.603 -15.657 2.568 1.00 11.18 C +ATOM 1969 CG2 VAL E 255 22.744 -15.487 0.360 1.00 47.49 C +ATOM 1970 N ARG E 256 23.402 -16.956 4.577 1.00 38.45 N +ATOM 1971 CA ARG E 256 23.210 -17.732 5.765 1.00 32.93 C +ATOM 1972 C ARG E 256 21.888 -17.426 6.346 1.00 40.62 C +ATOM 1973 O ARG E 256 21.527 -16.273 6.498 1.00 30.29 O +ATOM 1974 CB ARG E 256 24.262 -17.409 6.793 1.00 51.86 C +ATOM 1975 CG ARG E 256 25.556 -16.954 6.135 1.00 31.54 C +ATOM 1976 CD ARG E 256 26.428 -18.158 5.819 1.00 79.91 C +ATOM 1977 NE ARG E 256 25.749 -19.387 6.227 1.00100.00 N +ATOM 1978 CZ ARG E 256 25.980 -20.026 7.376 1.00100.00 C +ATOM 1979 NH1 ARG E 256 26.891 -19.581 8.267 1.00 35.55 N +ATOM 1980 NH2 ARG E 256 25.287 -21.142 7.635 1.00100.00 N +ATOM 1981 N PHE E 257 21.183 -18.473 6.666 1.00 16.82 N +ATOM 1982 CA PHE E 257 19.902 -18.321 7.261 1.00 22.35 C +ATOM 1983 C PHE E 257 19.881 -18.647 8.717 1.00 44.21 C +ATOM 1984 O PHE E 257 20.433 -19.637 9.226 1.00 35.60 O +ATOM 1985 CB PHE E 257 18.907 -19.282 6.661 1.00 20.74 C +ATOM 1986 CG PHE E 257 18.817 -19.098 5.203 1.00 19.47 C +ATOM 1987 CD1 PHE E 257 18.156 -17.982 4.701 1.00 28.08 C +ATOM 1988 CD2 PHE E 257 19.379 -20.019 4.325 1.00 35.34 C +ATOM 1989 CE1 PHE E 257 18.018 -17.798 3.329 1.00 11.22 C +ATOM 1990 CE2 PHE E 257 19.271 -19.839 2.946 1.00 23.79 C +ATOM 1991 CZ PHE E 257 18.599 -18.718 2.457 1.00 73.41 C +ATOM 1992 N PRO E 258 19.173 -17.780 9.368 1.00 20.43 N +ATOM 1993 CA PRO E 258 18.907 -17.890 10.760 1.00 43.64 C +ATOM 1994 C PRO E 258 18.185 -19.237 10.963 1.00 23.05 C +ATOM 1995 O PRO E 258 17.480 -19.739 10.062 1.00 40.62 O +ATOM 1996 CB PRO E 258 17.978 -16.703 11.072 1.00 13.40 C +ATOM 1997 CG PRO E 258 17.981 -15.802 9.864 1.00 19.51 C +ATOM 1998 CD PRO E 258 18.634 -16.566 8.731 1.00 35.58 C +ATOM 1999 N SER E 259 18.395 -19.806 12.144 1.00 59.42 N +ATOM 2000 CA SER E 259 17.844 -21.079 12.558 1.00 31.26 C +ATOM 2001 C SER E 259 16.318 -21.165 12.571 1.00 53.58 C +ATOM 2002 O SER E 259 15.747 -22.250 12.365 1.00 70.27 O +ATOM 2003 CB SER E 259 18.349 -21.358 13.956 1.00 31.48 C +ATOM 2004 OG SER E 259 18.773 -20.147 14.551 1.00100.00 O +ATOM 2005 N HIS E 260 15.672 -20.016 12.802 1.00 66.75 N +ATOM 2006 CA HIS E 260 14.211 -19.878 12.916 1.00 16.95 C +ATOM 2007 C HIS E 260 13.429 -19.642 11.650 1.00 91.06 C +ATOM 2008 O HIS E 260 12.267 -19.192 11.705 1.00 49.33 O +ATOM 2009 CB HIS E 260 13.873 -18.762 13.906 1.00 41.22 C +ATOM 2010 CG HIS E 260 14.178 -17.402 13.372 1.00 34.96 C +ATOM 2011 ND1 HIS E 260 13.422 -16.839 12.347 1.00 30.79 N +ATOM 2012 CD2 HIS E 260 15.149 -16.519 13.733 1.00 31.60 C +ATOM 2013 CE1 HIS E 260 13.931 -15.642 12.124 1.00 70.74 C +ATOM 2014 NE2 HIS E 260 14.962 -15.418 12.941 1.00 20.20 N +ATOM 2015 N PHE E 261 14.083 -19.945 10.539 1.00 16.08 N +ATOM 2016 CA PHE E 261 13.535 -19.792 9.207 1.00 32.27 C +ATOM 2017 C PHE E 261 13.045 -21.135 8.720 1.00 71.47 C +ATOM 2018 O PHE E 261 13.816 -22.053 8.435 1.00 22.37 O +ATOM 2019 CB PHE E 261 14.599 -19.316 8.185 1.00 59.66 C +ATOM 2020 CG PHE E 261 14.806 -17.820 8.019 1.00 35.14 C +ATOM 2021 CD1 PHE E 261 14.491 -16.917 9.037 1.00 12.12 C +ATOM 2022 CD2 PHE E 261 15.353 -17.319 6.836 1.00 49.66 C +ATOM 2023 CE1 PHE E 261 14.700 -15.543 8.883 1.00 36.01 C +ATOM 2024 CE2 PHE E 261 15.577 -15.952 6.657 1.00 32.76 C +ATOM 2025 CZ PHE E 261 15.235 -15.066 7.682 1.00 19.70 C +ATOM 2026 N SER E 262 11.750 -21.256 8.617 1.00 31.12 N +ATOM 2027 CA SER E 262 11.209 -22.479 8.140 1.00 14.21 C +ATOM 2028 C SER E 262 11.887 -22.845 6.826 1.00 28.88 C +ATOM 2029 O SER E 262 12.346 -21.983 6.057 1.00 27.91 O +ATOM 2030 CB SER E 262 9.717 -22.334 7.966 1.00 25.42 C +ATOM 2031 OG SER E 262 9.442 -21.921 6.636 1.00 42.22 O +ATOM 2032 N SER E 263 11.943 -24.141 6.590 1.00 24.74 N +ATOM 2033 CA SER E 263 12.522 -24.708 5.404 1.00 64.57 C +ATOM 2034 C SER E 263 11.882 -24.124 4.164 1.00 21.85 C +ATOM 2035 O SER E 263 12.539 -23.913 3.139 1.00 36.97 O +ATOM 2036 CB SER E 263 12.248 -26.179 5.464 1.00 52.90 C +ATOM 2037 OG SER E 263 11.714 -26.450 6.744 1.00100.00 O +ATOM 2038 N ASP E 264 10.592 -23.859 4.287 1.00 85.62 N +ATOM 2039 CA ASP E 264 9.864 -23.291 3.187 1.00 16.57 C +ATOM 2040 C ASP E 264 10.427 -21.930 2.822 1.00 45.74 C +ATOM 2041 O ASP E 264 10.631 -21.628 1.651 1.00 36.69 O +ATOM 2042 CB ASP E 264 8.342 -23.241 3.437 1.00100.00 C +ATOM 2043 CG ASP E 264 7.609 -24.502 3.045 1.00 63.73 C +ATOM 2044 OD1 ASP E 264 8.346 -25.366 2.379 1.00 44.50 O +ATOM 2045 OD2 ASP E 264 6.440 -24.690 3.313 1.00 40.37 O +ATOM 2046 N LEU E 265 10.681 -21.131 3.858 1.00 26.92 N +ATOM 2047 CA LEU E 265 11.214 -19.791 3.729 1.00 24.66 C +ATOM 2048 C LEU E 265 12.595 -19.808 3.123 1.00 17.79 C +ATOM 2049 O LEU E 265 12.892 -19.094 2.173 1.00 29.48 O +ATOM 2050 CB LEU E 265 11.271 -19.118 5.100 1.00 20.64 C +ATOM 2051 CG LEU E 265 11.871 -17.734 4.985 1.00 45.20 C +ATOM 2052 CD1 LEU E 265 11.145 -16.996 3.877 1.00 18.62 C +ATOM 2053 CD2 LEU E 265 11.761 -16.995 6.318 1.00 13.59 C +ATOM 2054 N LYS E 266 13.408 -20.664 3.710 1.00 25.29 N +ATOM 2055 CA LYS E 266 14.776 -20.859 3.312 1.00 28.19 C +ATOM 2056 C LYS E 266 14.851 -21.113 1.839 1.00 36.43 C +ATOM 2057 O LYS E 266 15.697 -20.574 1.131 1.00 35.59 O +ATOM 2058 CB LYS E 266 15.373 -22.102 3.978 1.00 7.06 C +ATOM 2059 CG LYS E 266 15.801 -21.941 5.419 1.00 43.25 C +ATOM 2060 CD LYS E 266 16.519 -23.188 5.941 1.00 82.49 C +ATOM 2061 CE LYS E 266 17.456 -22.925 7.114 1.00100.00 C +ATOM 2062 NZ LYS E 266 16.849 -23.237 8.429 1.00 51.65 N +ATOM 2063 N ASP E 267 13.959 -21.980 1.390 1.00 37.92 N +ATOM 2064 CA ASP E 267 13.952 -22.331 -0.001 1.00 9.88 C +ATOM 2065 C ASP E 267 13.465 -21.252 -0.957 1.00 30.64 C +ATOM 2066 O ASP E 267 14.072 -21.003 -1.977 1.00 27.26 O +ATOM 2067 CB ASP E 267 13.432 -23.727 -0.302 1.00 45.76 C +ATOM 2068 CG ASP E 267 12.170 -23.611 -1.057 1.00100.00 C +ATOM 2069 OD1 ASP E 267 11.189 -23.245 -0.272 1.00 76.65 O +ATOM 2070 OD2 ASP E 267 12.101 -23.789 -2.265 1.00 38.24 O +ATOM 2071 N LEU E 268 12.387 -20.584 -0.639 1.00 24.36 N +ATOM 2072 CA LEU E 268 11.937 -19.516 -1.510 1.00 18.89 C +ATOM 2073 C LEU E 268 13.057 -18.505 -1.698 1.00 14.32 C +ATOM 2074 O LEU E 268 13.325 -18.010 -2.803 1.00 46.87 O +ATOM 2075 CB LEU E 268 10.810 -18.751 -0.790 1.00 37.21 C +ATOM 2076 CG LEU E 268 9.895 -17.901 -1.691 1.00 23.13 C +ATOM 2077 CD1 LEU E 268 9.380 -16.708 -0.905 1.00 27.07 C +ATOM 2078 CD2 LEU E 268 10.576 -17.453 -2.980 1.00 71.60 C +ATOM 2079 N LEU E 269 13.698 -18.179 -0.577 1.00 40.20 N +ATOM 2080 CA LEU E 269 14.787 -17.216 -0.541 1.00 27.68 C +ATOM 2081 C LEU E 269 15.961 -17.665 -1.379 1.00 30.20 C +ATOM 2082 O LEU E 269 16.708 -16.845 -1.937 1.00 26.89 O +ATOM 2083 CB LEU E 269 15.267 -16.992 0.896 1.00 11.44 C +ATOM 2084 CG LEU E 269 15.145 -15.571 1.410 1.00 54.70 C +ATOM 2085 CD1 LEU E 269 14.415 -14.682 0.410 1.00 67.90 C +ATOM 2086 CD2 LEU E 269 14.379 -15.615 2.714 1.00 29.06 C +ATOM 2087 N ARG E 270 16.116 -18.982 -1.426 1.00 33.03 N +ATOM 2088 CA ARG E 270 17.194 -19.575 -2.168 1.00 34.76 C +ATOM 2089 C ARG E 270 16.995 -19.261 -3.633 1.00 34.01 C +ATOM 2090 O ARG E 270 17.911 -18.997 -4.422 1.00 33.30 O +ATOM 2091 CB ARG E 270 17.223 -21.078 -1.931 1.00 43.00 C +ATOM 2092 CG ARG E 270 18.252 -21.553 -0.888 1.00 31.46 C +ATOM 2093 CD ARG E 270 18.252 -23.095 -0.733 1.00100.00 C +ATOM 2094 NE ARG E 270 17.700 -23.601 0.535 1.00 51.46 N +ATOM 2095 CZ ARG E 270 18.420 -23.627 1.645 1.00 46.04 C +ATOM 2096 NH1 ARG E 270 19.684 -23.194 1.662 1.00 45.90 N +ATOM 2097 NH2 ARG E 270 17.870 -24.090 2.764 1.00100.00 N +ATOM 2098 N ASN E 271 15.742 -19.263 -3.993 1.00 17.58 N +ATOM 2099 CA ASN E 271 15.384 -19.009 -5.358 1.00 31.79 C +ATOM 2100 C ASN E 271 15.324 -17.563 -5.779 1.00 38.46 C +ATOM 2101 O ASN E 271 15.380 -17.265 -6.967 1.00 34.49 O +ATOM 2102 CB ASN E 271 14.084 -19.751 -5.677 1.00 13.53 C +ATOM 2103 CG ASN E 271 14.311 -21.248 -5.509 1.00 29.46 C +ATOM 2104 OD1 ASN E 271 13.481 -21.953 -4.901 1.00 34.93 O +ATOM 2105 ND2 ASN E 271 15.465 -21.717 -6.007 1.00 85.61 N +ATOM 2106 N LEU E 272 15.222 -16.688 -4.799 1.00 24.10 N +ATOM 2107 CA LEU E 272 15.132 -15.260 -5.017 1.00 26.64 C +ATOM 2108 C LEU E 272 16.520 -14.651 -4.970 1.00 26.43 C +ATOM 2109 O LEU E 272 16.880 -13.721 -5.682 1.00 35.48 O +ATOM 2110 CB LEU E 272 14.320 -14.718 -3.829 1.00 48.57 C +ATOM 2111 CG LEU E 272 13.087 -13.887 -4.138 1.00 88.81 C +ATOM 2112 CD1 LEU E 272 12.447 -14.327 -5.432 1.00 16.53 C +ATOM 2113 CD2 LEU E 272 12.096 -14.062 -2.993 1.00 12.40 C +ATOM 2114 N LEU E 273 17.319 -15.213 -4.083 1.00 16.72 N +ATOM 2115 CA LEU E 273 18.652 -14.729 -3.890 1.00 28.06 C +ATOM 2116 C LEU E 273 19.582 -15.541 -4.726 1.00 29.43 C +ATOM 2117 O LEU E 273 20.651 -16.017 -4.362 1.00 25.00 O +ATOM 2118 CB LEU E 273 18.997 -14.631 -2.393 1.00 29.42 C +ATOM 2119 CG LEU E 273 18.023 -13.725 -1.598 1.00 38.48 C +ATOM 2120 CD1 LEU E 273 18.557 -13.487 -0.203 1.00 18.58 C +ATOM 2121 CD2 LEU E 273 17.835 -12.355 -2.260 1.00 18.18 C +ATOM 2122 N GLN E 274 19.104 -15.701 -5.908 1.00 20.16 N +ATOM 2123 CA GLN E 274 19.836 -16.462 -6.839 1.00 21.29 C +ATOM 2124 C GLN E 274 20.742 -15.513 -7.607 1.00 34.13 C +ATOM 2125 O GLN E 274 20.278 -14.548 -8.204 1.00 55.70 O +ATOM 2126 CB GLN E 274 18.951 -17.507 -7.582 1.00 25.67 C +ATOM 2127 CG GLN E 274 19.604 -18.093 -8.818 1.00 33.92 C +ATOM 2128 CD GLN E 274 20.782 -18.842 -8.362 1.00 19.33 C +ATOM 2129 OE1 GLN E 274 21.946 -18.472 -8.641 1.00 34.87 O +ATOM 2130 NE2 GLN E 274 20.437 -19.863 -7.581 1.00 39.13 N +ATOM 2131 N VAL E 275 22.053 -15.756 -7.493 1.00 29.97 N +ATOM 2132 CA VAL E 275 23.041 -14.929 -8.125 1.00 22.96 C +ATOM 2133 C VAL E 275 22.956 -14.980 -9.637 1.00 42.61 C +ATOM 2134 O VAL E 275 23.169 -13.971 -10.330 1.00 37.57 O +ATOM 2135 CB VAL E 275 24.415 -15.282 -7.610 1.00 38.72 C +ATOM 2136 CG1 VAL E 275 25.459 -14.864 -8.632 1.00 23.55 C +ATOM 2137 CG2 VAL E 275 24.642 -14.578 -6.275 1.00 16.32 C +ATOM 2138 N ASP E 276 22.620 -16.182 -10.115 1.00 40.93 N +ATOM 2139 CA ASP E 276 22.462 -16.501 -11.524 1.00 53.48 C +ATOM 2140 C ASP E 276 21.068 -16.148 -11.977 1.00 54.58 C +ATOM 2141 O ASP E 276 20.127 -16.910 -11.719 1.00 39.29 O +ATOM 2142 CB ASP E 276 22.715 -18.010 -11.772 1.00100.00 C +ATOM 2143 CG ASP E 276 22.772 -18.460 -13.219 1.00100.00 C +ATOM 2144 OD1 ASP E 276 21.794 -18.001 -13.962 1.00 47.40 O +ATOM 2145 OD2 ASP E 276 23.634 -19.210 -13.643 1.00100.00 O +ATOM 2146 N LEU E 277 20.966 -14.996 -12.646 1.00 45.90 N +ATOM 2147 CA LEU E 277 19.712 -14.481 -13.168 1.00 35.73 C +ATOM 2148 C LEU E 277 18.877 -15.344 -14.112 1.00 40.12 C +ATOM 2149 O LEU E 277 17.794 -14.973 -14.518 1.00 42.39 O +ATOM 2150 CB LEU E 277 19.480 -12.942 -13.176 1.00 41.35 C +ATOM 2151 CG LEU E 277 20.111 -12.180 -14.348 1.00 80.88 C +ATOM 2152 CD1 LEU E 277 21.625 -12.347 -14.336 1.00 60.77 C +ATOM 2153 CD2 LEU E 277 19.542 -12.630 -15.688 1.00 60.23 C +ATOM 2154 N THR E 278 19.345 -16.518 -14.473 1.00 42.58 N +ATOM 2155 CA THR E 278 18.520 -17.356 -15.333 1.00 78.76 C +ATOM 2156 C THR E 278 18.006 -18.502 -14.503 1.00 79.67 C +ATOM 2157 O THR E 278 17.411 -19.467 -14.980 1.00 52.36 O +ATOM 2158 CB THR E 278 19.186 -17.880 -16.610 1.00100.00 C +ATOM 2159 OG1 THR E 278 20.584 -17.671 -16.587 1.00100.00 O +ATOM 2160 CG2 THR E 278 18.555 -17.196 -17.814 1.00100.00 C +ATOM 2161 N LYS E 279 18.288 -18.357 -13.231 1.00 22.36 N +ATOM 2162 CA LYS E 279 17.899 -19.300 -12.233 1.00 66.88 C +ATOM 2163 C LYS E 279 16.992 -18.622 -11.207 1.00100.00 C +ATOM 2164 O LYS E 279 16.522 -19.285 -10.260 1.00 30.48 O +ATOM 2165 CB LYS E 279 19.164 -19.828 -11.576 1.00 54.83 C +ATOM 2166 CG LYS E 279 19.573 -21.210 -12.070 1.00 22.21 C +ATOM 2167 CD LYS E 279 20.423 -22.026 -11.105 1.00100.00 C +ATOM 2168 CE LYS E 279 19.612 -23.068 -10.337 1.00100.00 C +ATOM 2169 NZ LYS E 279 20.385 -23.757 -9.287 1.00100.00 N +ATOM 2170 N ARG E 280 16.762 -17.286 -11.440 1.00 29.78 N +ATOM 2171 CA ARG E 280 15.959 -16.399 -10.555 1.00 16.96 C +ATOM 2172 C ARG E 280 14.450 -16.396 -10.664 1.00 25.24 C +ATOM 2173 O ARG E 280 13.897 -15.905 -11.649 1.00 37.40 O +ATOM 2174 CB ARG E 280 16.253 -14.871 -10.599 1.00 31.55 C +ATOM 2175 CG ARG E 280 16.296 -14.248 -9.186 1.00 25.39 C +ATOM 2176 CD ARG E 280 16.931 -12.848 -9.009 1.00 27.00 C +ATOM 2177 NE ARG E 280 18.395 -12.849 -9.001 1.00 16.05 N +ATOM 2178 CZ ARG E 280 19.147 -11.841 -9.428 1.00 18.72 C +ATOM 2179 NH1 ARG E 280 18.596 -10.720 -9.870 1.00 20.32 N +ATOM 2180 NH2 ARG E 280 20.491 -11.956 -9.388 1.00 23.54 N +ATOM 2181 N PHE E 281 13.799 -16.834 -9.567 1.00 15.33 N +ATOM 2182 CA PHE E 281 12.360 -16.815 -9.446 1.00 21.94 C +ATOM 2183 C PHE E 281 11.867 -15.407 -9.830 1.00 37.31 C +ATOM 2184 O PHE E 281 12.333 -14.422 -9.279 1.00 25.35 O +ATOM 2185 CB PHE E 281 11.978 -17.096 -7.983 1.00 31.90 C +ATOM 2186 CG PHE E 281 11.459 -18.501 -7.707 1.00 34.63 C +ATOM 2187 CD1 PHE E 281 11.916 -19.612 -8.414 1.00 34.84 C +ATOM 2188 CD2 PHE E 281 10.499 -18.718 -6.717 1.00100.00 C +ATOM 2189 CE1 PHE E 281 11.439 -20.897 -8.151 1.00 32.86 C +ATOM 2190 CE2 PHE E 281 10.004 -19.992 -6.436 1.00 43.50 C +ATOM 2191 CZ PHE E 281 10.482 -21.085 -7.155 1.00 40.72 C +ATOM 2192 N GLY E 282 10.939 -15.307 -10.780 1.00 30.02 N +ATOM 2193 CA GLY E 282 10.428 -14.005 -11.228 1.00 3.34 C +ATOM 2194 C GLY E 282 10.981 -13.713 -12.610 1.00100.00 C +ATOM 2195 O GLY E 282 10.358 -13.074 -13.450 1.00 30.57 O +ATOM 2196 N ASN E 283 12.176 -14.224 -12.825 1.00 19.35 N +ATOM 2197 CA ASN E 283 12.891 -14.076 -14.064 1.00 65.05 C +ATOM 2198 C ASN E 283 12.877 -15.381 -14.818 1.00 43.94 C +ATOM 2199 O ASN E 283 13.701 -15.595 -15.695 1.00 58.79 O +ATOM 2200 CB ASN E 283 14.350 -13.638 -13.814 1.00 77.14 C +ATOM 2201 CG ASN E 283 15.029 -13.157 -15.079 1.00 43.00 C +ATOM 2202 OD1 ASN E 283 14.597 -12.174 -15.706 1.00100.00 O +ATOM 2203 ND2 ASN E 283 16.074 -13.856 -15.481 1.00 41.06 N +ATOM 2204 N LEU E 284 11.941 -16.264 -14.461 1.00 30.09 N +ATOM 2205 CA LEU E 284 11.862 -17.548 -15.132 1.00 70.36 C +ATOM 2206 C LEU E 284 10.660 -17.698 -16.040 1.00 45.88 C +ATOM 2207 O LEU E 284 9.888 -16.795 -16.309 1.00 32.67 O +ATOM 2208 CB LEU E 284 11.873 -18.747 -14.168 1.00 36.49 C +ATOM 2209 CG LEU E 284 12.963 -18.724 -13.112 1.00 40.82 C +ATOM 2210 CD1 LEU E 284 12.915 -20.024 -12.327 1.00 30.82 C +ATOM 2211 CD2 LEU E 284 14.319 -18.589 -13.774 1.00 37.24 C +ATOM 2212 N LYS E 285 10.515 -18.905 -16.494 1.00 44.65 N +ATOM 2213 CA LYS E 285 9.446 -19.271 -17.362 1.00 40.43 C +ATOM 2214 C LYS E 285 8.107 -18.895 -16.780 1.00100.00 C +ATOM 2215 O LYS E 285 7.334 -18.180 -17.425 1.00 43.11 O +ATOM 2216 CB LYS E 285 9.476 -20.776 -17.609 1.00100.00 C +ATOM 2217 CG LYS E 285 9.396 -21.587 -16.314 1.00 62.65 C +ATOM 2218 CD LYS E 285 10.639 -21.477 -15.434 1.00 61.88 C +ATOM 2219 CE LYS E 285 11.848 -22.233 -15.993 1.00100.00 C +ATOM 2220 NZ LYS E 285 12.510 -21.595 -17.162 1.00 33.89 N +ATOM 2221 N ASN E 286 7.847 -19.392 -15.559 1.00 36.14 N +ATOM 2222 CA ASN E 286 6.578 -19.150 -14.903 1.00100.00 C +ATOM 2223 C ASN E 286 6.338 -17.766 -14.322 1.00 89.52 C +ATOM 2224 O ASN E 286 5.386 -17.543 -13.556 1.00 35.20 O +ATOM 2225 CB ASN E 286 6.232 -20.288 -13.945 1.00 42.31 C +ATOM 2226 CG ASN E 286 5.501 -21.369 -14.674 1.00100.00 C +ATOM 2227 OD1 ASN E 286 6.061 -22.153 -15.421 1.00 76.67 O +ATOM 2228 ND2 ASN E 286 4.205 -21.346 -14.450 1.00100.00 N +ATOM 2229 N GLY E 287 7.200 -16.839 -14.709 1.00 35.09 N +ATOM 2230 CA GLY E 287 7.115 -15.481 -14.242 1.00 42.19 C +ATOM 2231 C GLY E 287 6.887 -15.432 -12.740 1.00 39.51 C +ATOM 2232 O GLY E 287 7.469 -16.197 -11.986 1.00 30.10 O +ATOM 2233 N VAL E 288 6.014 -14.516 -12.342 1.00 55.08 N +ATOM 2234 CA VAL E 288 5.642 -14.287 -10.960 1.00 35.39 C +ATOM 2235 C VAL E 288 4.889 -15.494 -10.382 1.00 59.68 C +ATOM 2236 O VAL E 288 4.739 -15.658 -9.171 1.00 25.70 O +ATOM 2237 CB VAL E 288 4.901 -12.934 -10.819 1.00 19.79 C +ATOM 2238 CG1 VAL E 288 3.564 -12.956 -11.539 1.00 31.60 C +ATOM 2239 CG2 VAL E 288 4.619 -12.566 -9.382 1.00 12.30 C +ATOM 2240 N ASN E 289 4.419 -16.368 -11.268 1.00 34.79 N +ATOM 2241 CA ASN E 289 3.699 -17.547 -10.830 1.00 38.77 C +ATOM 2242 C ASN E 289 4.550 -18.461 -9.987 1.00 28.71 C +ATOM 2243 O ASN E 289 4.058 -19.072 -9.053 1.00 31.37 O +ATOM 2244 CB ASN E 289 3.086 -18.312 -11.999 1.00 69.43 C +ATOM 2245 CG ASN E 289 1.872 -17.584 -12.518 1.00 32.81 C +ATOM 2246 OD1 ASN E 289 1.245 -16.793 -11.788 1.00 61.47 O +ATOM 2247 ND2 ASN E 289 1.558 -17.835 -13.785 1.00100.00 N +ATOM 2248 N ASP E 290 5.835 -18.534 -10.324 1.00 24.82 N +ATOM 2249 CA ASP E 290 6.762 -19.372 -9.594 1.00 37.83 C +ATOM 2250 C ASP E 290 6.717 -19.022 -8.129 1.00 30.86 C +ATOM 2251 O ASP E 290 6.749 -19.910 -7.272 1.00 33.35 O +ATOM 2252 CB ASP E 290 8.194 -19.283 -10.141 1.00 67.54 C +ATOM 2253 CG ASP E 290 8.452 -20.213 -11.287 1.00 43.56 C +ATOM 2254 OD1 ASP E 290 7.557 -21.166 -11.379 1.00 48.28 O +ATOM 2255 OD2 ASP E 290 9.411 -20.092 -12.038 1.00 28.91 O +ATOM 2256 N ILE E 291 6.620 -17.704 -7.863 1.00 16.94 N +ATOM 2257 CA ILE E 291 6.542 -17.179 -6.508 1.00 32.21 C +ATOM 2258 C ILE E 291 5.172 -17.372 -5.878 1.00 19.98 C +ATOM 2259 O ILE E 291 5.024 -17.928 -4.793 1.00 39.56 O +ATOM 2260 CB ILE E 291 6.895 -15.697 -6.467 1.00 75.91 C +ATOM 2261 CG1 ILE E 291 8.299 -15.485 -7.016 1.00 77.12 C +ATOM 2262 CG2 ILE E 291 6.810 -15.199 -5.032 1.00 23.40 C +ATOM 2263 CD1 ILE E 291 8.528 -14.087 -7.560 1.00 9.77 C +ATOM 2264 N LYS E 292 4.153 -16.866 -6.571 1.00 39.25 N +ATOM 2265 CA LYS E 292 2.809 -16.954 -6.062 1.00 39.15 C +ATOM 2266 C LYS E 292 2.470 -18.366 -5.692 1.00 40.93 C +ATOM 2267 O LYS E 292 1.795 -18.607 -4.698 1.00 21.82 O +ATOM 2268 CB LYS E 292 1.787 -16.416 -7.037 1.00 28.14 C +ATOM 2269 CG LYS E 292 1.788 -14.915 -7.213 1.00 29.52 C +ATOM 2270 CD LYS E 292 0.576 -14.498 -8.021 1.00 12.03 C +ATOM 2271 CE LYS E 292 0.629 -13.127 -8.652 1.00 26.40 C +ATOM 2272 NZ LYS E 292 -0.453 -12.979 -9.642 1.00 25.82 N +ATOM 2273 N ASN E 293 2.953 -19.280 -6.516 1.00 33.19 N +ATOM 2274 CA ASN E 293 2.699 -20.684 -6.317 1.00 15.04 C +ATOM 2275 C ASN E 293 3.529 -21.333 -5.254 1.00 42.63 C +ATOM 2276 O ASN E 293 3.171 -22.421 -4.821 1.00 57.02 O +ATOM 2277 CB ASN E 293 2.778 -21.446 -7.638 1.00100.00 C +ATOM 2278 CG ASN E 293 1.641 -21.035 -8.546 1.00 65.81 C +ATOM 2279 OD1 ASN E 293 0.478 -21.050 -8.117 1.00 35.33 O +ATOM 2280 ND2 ASN E 293 1.962 -20.658 -9.788 1.00100.00 N +ATOM 2281 N HIS E 294 4.625 -20.674 -4.841 1.00 43.78 N +ATOM 2282 CA HIS E 294 5.533 -21.205 -3.809 1.00 26.53 C +ATOM 2283 C HIS E 294 4.875 -21.650 -2.482 1.00 47.50 C +ATOM 2284 O HIS E 294 3.935 -21.028 -1.969 1.00 49.11 O +ATOM 2285 CB HIS E 294 6.761 -20.297 -3.584 1.00 36.98 C +ATOM 2286 CG HIS E 294 7.890 -20.954 -2.838 1.00 47.28 C +ATOM 2287 ND1 HIS E 294 7.757 -21.357 -1.502 1.00 23.92 N +ATOM 2288 CD2 HIS E 294 9.168 -21.247 -3.246 1.00 27.53 C +ATOM 2289 CE1 HIS E 294 8.936 -21.877 -1.150 1.00 16.22 C +ATOM 2290 NE2 HIS E 294 9.809 -21.827 -2.176 1.00 40.08 N +ATOM 2291 N LYS E 295 5.397 -22.755 -1.926 1.00 38.49 N +ATOM 2292 CA LYS E 295 4.907 -23.336 -0.672 1.00 46.42 C +ATOM 2293 C LYS E 295 4.660 -22.299 0.397 1.00 38.21 C +ATOM 2294 O LYS E 295 3.541 -22.173 0.894 1.00 44.38 O +ATOM 2295 CB LYS E 295 5.766 -24.462 -0.113 1.00 35.09 C +ATOM 2296 CG LYS E 295 5.934 -25.640 -1.076 1.00100.00 C +ATOM 2297 CD LYS E 295 7.197 -25.592 -1.952 1.00100.00 C +ATOM 2298 CE LYS E 295 8.504 -25.421 -1.165 1.00100.00 C +ATOM 2299 NZ LYS E 295 9.483 -26.522 -1.311 1.00 35.53 N +ATOM 2300 N TRP E 296 5.717 -21.567 0.745 1.00 46.46 N +ATOM 2301 CA TRP E 296 5.656 -20.513 1.760 1.00 67.96 C +ATOM 2302 C TRP E 296 4.399 -19.652 1.638 1.00 21.24 C +ATOM 2303 O TRP E 296 3.928 -19.065 2.616 1.00 58.54 O +ATOM 2304 CB TRP E 296 6.911 -19.596 1.704 1.00 32.04 C +ATOM 2305 CG TRP E 296 7.061 -18.737 2.922 1.00 18.82 C +ATOM 2306 CD1 TRP E 296 7.258 -19.204 4.173 1.00 64.05 C +ATOM 2307 CD2 TRP E 296 7.013 -17.299 3.040 1.00 25.13 C +ATOM 2308 NE1 TRP E 296 7.348 -18.177 5.065 1.00 26.13 N +ATOM 2309 CE2 TRP E 296 7.191 -16.991 4.414 1.00 24.10 C +ATOM 2310 CE3 TRP E 296 6.827 -16.247 2.149 1.00 45.60 C +ATOM 2311 CZ2 TRP E 296 7.195 -15.675 4.904 1.00 45.01 C +ATOM 2312 CZ3 TRP E 296 6.843 -14.950 2.633 1.00 26.84 C +ATOM 2313 CH2 TRP E 296 7.019 -14.662 3.992 1.00 25.67 C +ATOM 2314 N PHE E 297 3.865 -19.599 0.407 1.00 24.41 N +ATOM 2315 CA PHE E 297 2.698 -18.813 0.079 1.00 17.35 C +ATOM 2316 C PHE E 297 1.430 -19.623 -0.072 1.00 48.99 C +ATOM 2317 O PHE E 297 0.453 -19.165 -0.652 1.00 32.40 O +ATOM 2318 CB PHE E 297 2.961 -18.057 -1.247 1.00 21.33 C +ATOM 2319 CG PHE E 297 3.687 -16.719 -1.100 1.00100.00 C +ATOM 2320 CD1 PHE E 297 3.146 -15.644 -0.390 1.00 13.78 C +ATOM 2321 CD2 PHE E 297 4.929 -16.531 -1.706 1.00 11.40 C +ATOM 2322 CE1 PHE E 297 3.820 -14.429 -0.271 1.00 21.82 C +ATOM 2323 CE2 PHE E 297 5.625 -15.328 -1.601 1.00 22.74 C +ATOM 2324 CZ PHE E 297 5.064 -14.276 -0.880 1.00 27.61 C +ATOM 2325 N ALA E 298 1.414 -20.827 0.443 1.00 36.88 N +ATOM 2326 CA ALA E 298 0.225 -21.639 0.275 1.00 59.10 C +ATOM 2327 C ALA E 298 -1.089 -21.231 0.964 1.00 34.21 C +ATOM 2328 O ALA E 298 -2.155 -21.769 0.645 1.00 50.09 O +ATOM 2329 CB ALA E 298 0.545 -23.116 0.349 1.00 46.18 C +ATOM 2330 N THR E 299 -1.068 -20.294 1.906 1.00 56.01 N +ATOM 2331 CA THR E 299 -2.319 -19.918 2.568 1.00 23.97 C +ATOM 2332 C THR E 299 -2.779 -18.525 2.162 1.00 39.86 C +ATOM 2333 O THR E 299 -3.875 -18.070 2.502 1.00 70.11 O +ATOM 2334 CB THR E 299 -2.145 -19.955 4.092 1.00 67.06 C +ATOM 2335 OG1 THR E 299 -0.824 -19.572 4.432 1.00 49.75 O +ATOM 2336 CG2 THR E 299 -2.447 -21.354 4.609 1.00100.00 C +ATOM 2337 N THR E 300 -1.897 -17.858 1.436 1.00 38.10 N +ATOM 2338 CA THR E 300 -2.136 -16.523 0.940 1.00 46.11 C +ATOM 2339 C THR E 300 -3.272 -16.503 -0.059 1.00100.00 C +ATOM 2340 O THR E 300 -3.232 -17.242 -1.051 1.00 47.84 O +ATOM 2341 CB THR E 300 -0.854 -15.926 0.276 1.00 24.30 C +ATOM 2342 OG1 THR E 300 0.238 -16.029 1.169 1.00 32.18 O +ATOM 2343 CG2 THR E 300 -1.073 -14.452 -0.121 1.00 25.85 C +ATOM 2344 N ASP E 301 -4.279 -15.664 0.214 1.00 40.91 N +ATOM 2345 CA ASP E 301 -5.410 -15.504 -0.701 1.00 19.58 C +ATOM 2346 C ASP E 301 -5.062 -14.239 -1.436 1.00 31.08 C +ATOM 2347 O ASP E 301 -5.319 -13.127 -0.947 1.00 19.42 O +ATOM 2348 CB ASP E 301 -6.814 -15.392 -0.021 1.00 46.97 C +ATOM 2349 CG ASP E 301 -8.002 -15.619 -0.946 1.00 18.25 C +ATOM 2350 OD1 ASP E 301 -7.737 -15.332 -2.203 1.00 91.68 O +ATOM 2351 OD2 ASP E 301 -9.085 -16.031 -0.564 1.00 89.04 O +ATOM 2352 N TRP E 302 -4.419 -14.435 -2.580 1.00 21.28 N +ATOM 2353 CA TRP E 302 -3.982 -13.322 -3.396 1.00 28.12 C +ATOM 2354 C TRP E 302 -5.058 -12.250 -3.632 1.00 32.55 C +ATOM 2355 O TRP E 302 -4.842 -11.031 -3.546 1.00 27.82 O +ATOM 2356 CB TRP E 302 -3.282 -13.838 -4.682 1.00 26.55 C +ATOM 2357 CG TRP E 302 -2.053 -14.650 -4.343 1.00 27.66 C +ATOM 2358 CD1 TRP E 302 -1.966 -16.007 -4.353 1.00 14.89 C +ATOM 2359 CD2 TRP E 302 -0.758 -14.177 -3.899 1.00 55.86 C +ATOM 2360 NE1 TRP E 302 -0.711 -16.422 -3.960 1.00 42.26 N +ATOM 2361 CE2 TRP E 302 0.057 -15.317 -3.679 1.00 24.52 C +ATOM 2362 CE3 TRP E 302 -0.203 -12.912 -3.670 1.00 23.20 C +ATOM 2363 CZ2 TRP E 302 1.395 -15.209 -3.263 1.00 55.47 C +ATOM 2364 CZ3 TRP E 302 1.115 -12.809 -3.263 1.00 26.45 C +ATOM 2365 CH2 TRP E 302 1.904 -13.946 -3.060 1.00 28.73 C +ATOM 2366 N ILE E 303 -6.248 -12.721 -3.924 1.00 79.94 N +ATOM 2367 CA ILE E 303 -7.378 -11.859 -4.194 1.00 49.60 C +ATOM 2368 C ILE E 303 -7.875 -11.072 -2.990 1.00 40.21 C +ATOM 2369 O ILE E 303 -8.082 -9.861 -3.069 1.00 33.23 O +ATOM 2370 CB ILE E 303 -8.496 -12.649 -4.843 1.00 86.63 C +ATOM 2371 CG1 ILE E 303 -7.953 -13.342 -6.092 1.00 97.36 C +ATOM 2372 CG2 ILE E 303 -9.623 -11.703 -5.218 1.00 56.35 C +ATOM 2373 CD1 ILE E 303 -7.119 -14.591 -5.793 1.00100.00 C +ATOM 2374 N ALA E 304 -8.078 -11.773 -1.876 1.00 49.10 N +ATOM 2375 CA ALA E 304 -8.543 -11.122 -0.671 1.00 43.64 C +ATOM 2376 C ALA E 304 -7.592 -10.013 -0.336 1.00 79.53 C +ATOM 2377 O ALA E 304 -7.969 -8.936 0.121 1.00 24.94 O +ATOM 2378 CB ALA E 304 -8.532 -12.091 0.496 1.00 38.92 C +ATOM 2379 N ILE E 305 -6.328 -10.315 -0.567 1.00 45.73 N +ATOM 2380 CA ILE E 305 -5.313 -9.350 -0.277 1.00 61.02 C +ATOM 2381 C ILE E 305 -5.418 -8.162 -1.205 1.00 12.85 C +ATOM 2382 O ILE E 305 -5.459 -6.991 -0.815 1.00 22.06 O +ATOM 2383 CB ILE E 305 -3.927 -9.965 -0.171 1.00 38.99 C +ATOM 2384 CG1 ILE E 305 -3.680 -10.302 1.292 1.00 28.77 C +ATOM 2385 CG2 ILE E 305 -2.866 -8.982 -0.637 1.00 56.99 C +ATOM 2386 CD1 ILE E 305 -2.545 -11.291 1.475 1.00 29.39 C +ATOM 2387 N TYR E 306 -5.500 -8.449 -2.472 1.00 35.72 N +ATOM 2388 CA TYR E 306 -5.603 -7.341 -3.364 1.00 6.94 C +ATOM 2389 C TYR E 306 -6.759 -6.448 -2.989 1.00 33.85 C +ATOM 2390 O TYR E 306 -6.719 -5.229 -3.170 1.00 34.80 O +ATOM 2391 CB TYR E 306 -5.635 -7.781 -4.831 1.00 64.35 C +ATOM 2392 CG TYR E 306 -6.064 -6.651 -5.700 1.00 15.02 C +ATOM 2393 CD1 TYR E 306 -7.425 -6.424 -5.901 1.00 25.98 C +ATOM 2394 CD2 TYR E 306 -5.142 -5.791 -6.300 1.00 65.04 C +ATOM 2395 CE1 TYR E 306 -7.867 -5.363 -6.689 1.00 62.44 C +ATOM 2396 CE2 TYR E 306 -5.569 -4.727 -7.097 1.00 73.19 C +ATOM 2397 CZ TYR E 306 -6.937 -4.519 -7.289 1.00 28.12 C +ATOM 2398 OH TYR E 306 -7.394 -3.480 -8.051 1.00 55.02 O +ATOM 2399 N GLN E 307 -7.791 -7.100 -2.460 1.00 42.26 N +ATOM 2400 CA GLN E 307 -8.998 -6.428 -2.065 1.00 26.97 C +ATOM 2401 C GLN E 307 -8.941 -5.794 -0.704 1.00100.00 C +ATOM 2402 O GLN E 307 -9.896 -5.151 -0.287 1.00 32.91 O +ATOM 2403 CB GLN E 307 -10.212 -7.321 -2.213 1.00 54.51 C +ATOM 2404 CG GLN E 307 -10.166 -8.066 -3.547 1.00 58.41 C +ATOM 2405 CD GLN E 307 -11.410 -8.885 -3.771 1.00100.00 C +ATOM 2406 OE1 GLN E 307 -12.152 -8.619 -4.737 1.00 53.42 O +ATOM 2407 NE2 GLN E 307 -11.642 -9.863 -2.876 1.00 36.50 N +ATOM 2408 N ARG E 308 -7.826 -5.979 -0.018 1.00 16.52 N +ATOM 2409 CA ARG E 308 -7.643 -5.395 1.273 1.00 26.97 C +ATOM 2410 C ARG E 308 -8.644 -5.959 2.246 1.00 58.66 C +ATOM 2411 O ARG E 308 -9.106 -5.278 3.163 1.00 52.64 O +ATOM 2412 CB ARG E 308 -7.851 -3.906 1.133 1.00 33.80 C +ATOM 2413 CG ARG E 308 -6.711 -3.049 1.600 1.00 56.12 C +ATOM 2414 CD ARG E 308 -7.062 -1.576 1.496 1.00 38.00 C +ATOM 2415 NE ARG E 308 -6.077 -0.851 0.720 1.00 41.98 N +ATOM 2416 CZ ARG E 308 -5.153 -0.102 1.293 1.00 78.16 C +ATOM 2417 NH1 ARG E 308 -5.087 0.015 2.618 1.00 47.09 N +ATOM 2418 NH2 ARG E 308 -4.274 0.533 0.530 1.00 86.64 N +ATOM 2419 N LYS E 309 -8.980 -7.224 2.028 1.00 89.62 N +ATOM 2420 CA LYS E 309 -9.940 -7.891 2.876 1.00 32.07 C +ATOM 2421 C LYS E 309 -9.314 -8.800 3.894 1.00 33.83 C +ATOM 2422 O LYS E 309 -10.006 -9.496 4.644 1.00 77.47 O +ATOM 2423 CB LYS E 309 -11.084 -8.541 2.109 1.00 33.90 C +ATOM 2424 CG LYS E 309 -10.829 -9.988 1.712 1.00 40.05 C +ATOM 2425 CD LYS E 309 -11.657 -10.388 0.487 1.00100.00 C +ATOM 2426 CE LYS E 309 -12.164 -11.834 0.500 1.00100.00 C +ATOM 2427 NZ LYS E 309 -12.731 -12.273 -0.793 1.00 72.80 N +ATOM 2428 N VAL E 310 -7.980 -8.769 3.933 1.00 49.08 N +ATOM 2429 CA VAL E 310 -7.234 -9.583 4.872 1.00 36.48 C +ATOM 2430 C VAL E 310 -6.987 -8.980 6.275 1.00 30.02 C +ATOM 2431 O VAL E 310 -6.964 -7.773 6.518 1.00 38.92 O +ATOM 2432 CB VAL E 310 -5.956 -10.140 4.274 1.00 49.49 C +ATOM 2433 CG1 VAL E 310 -5.465 -11.342 5.087 1.00 27.07 C +ATOM 2434 CG2 VAL E 310 -6.233 -10.529 2.840 1.00 11.23 C +ATOM 2435 N GLU E 311 -6.776 -9.898 7.187 1.00 47.88 N +ATOM 2436 CA GLU E 311 -6.475 -9.687 8.585 1.00 55.74 C +ATOM 2437 C GLU E 311 -5.124 -8.984 8.733 1.00100.00 C +ATOM 2438 O GLU E 311 -4.080 -9.640 8.657 1.00 64.60 O +ATOM 2439 CB GLU E 311 -6.278 -11.111 9.158 1.00100.00 C +ATOM 2440 CG GLU E 311 -5.748 -12.068 8.049 1.00100.00 C +ATOM 2441 CD GLU E 311 -4.896 -13.238 8.497 1.00100.00 C +ATOM 2442 OE1 GLU E 311 -4.012 -12.917 9.419 1.00100.00 O +ATOM 2443 OE2 GLU E 311 -5.008 -14.364 8.021 1.00 90.36 O +ATOM 2444 N ALA E 312 -5.117 -7.667 8.948 1.00 33.72 N +ATOM 2445 CA ALA E 312 -3.843 -6.959 9.101 1.00 42.07 C +ATOM 2446 C ALA E 312 -3.166 -7.167 10.459 1.00 46.87 C +ATOM 2447 O ALA E 312 -3.589 -6.624 11.474 1.00100.00 O +ATOM 2448 CB ALA E 312 -3.969 -5.483 8.767 1.00 51.08 C +ATOM 2449 N PRO E 313 -2.095 -7.955 10.469 1.00 77.34 N +ATOM 2450 CA PRO E 313 -1.321 -8.283 11.659 1.00 21.81 C +ATOM 2451 C PRO E 313 -1.130 -7.177 12.692 1.00100.00 C +ATOM 2452 O PRO E 313 -1.360 -7.364 13.888 1.00 46.25 O +ATOM 2453 CB PRO E 313 0.061 -8.707 11.154 1.00 75.28 C +ATOM 2454 CG PRO E 313 0.025 -8.681 9.636 1.00 43.25 C +ATOM 2455 CD PRO E 313 -1.407 -8.389 9.235 1.00 26.69 C +ATOM 2456 N PHE E 314 -0.672 -6.031 12.235 1.00 24.27 N +ATOM 2457 CA PHE E 314 -0.418 -4.923 13.108 1.00 25.98 C +ATOM 2458 C PHE E 314 -1.027 -3.694 12.494 1.00 26.75 C +ATOM 2459 O PHE E 314 -0.999 -3.573 11.271 1.00 51.60 O +ATOM 2460 CB PHE E 314 1.129 -4.741 13.232 1.00 26.05 C +ATOM 2461 CG PHE E 314 1.571 -3.331 13.568 1.00 36.91 C +ATOM 2462 CD1 PHE E 314 1.599 -2.313 12.616 1.00 34.18 C +ATOM 2463 CD2 PHE E 314 1.984 -3.016 14.859 1.00100.00 C +ATOM 2464 CE1 PHE E 314 1.989 -1.013 12.939 1.00100.00 C +ATOM 2465 CE2 PHE E 314 2.392 -1.728 15.201 1.00100.00 C +ATOM 2466 CZ PHE E 314 2.392 -0.719 14.240 1.00 49.00 C +ATOM 2467 N ILE E 315 -1.530 -2.791 13.342 1.00 45.94 N +ATOM 2468 CA ILE E 315 -2.120 -1.528 12.894 1.00 24.07 C +ATOM 2469 C ILE E 315 -1.505 -0.356 13.649 1.00 25.84 C +ATOM 2470 O ILE E 315 -1.633 -0.227 14.867 1.00 46.35 O +ATOM 2471 CB ILE E 315 -3.624 -1.411 13.133 1.00 28.60 C +ATOM 2472 CG1 ILE E 315 -4.477 -2.067 12.066 1.00 28.95 C +ATOM 2473 CG2 ILE E 315 -3.970 0.063 13.182 1.00 28.07 C +ATOM 2474 CD1 ILE E 315 -3.704 -2.972 11.122 1.00 97.63 C +ATOM 2475 N PRO E 316 -0.836 0.518 12.942 1.00 68.22 N +ATOM 2476 CA PRO E 316 -0.297 1.611 13.669 1.00 38.60 C +ATOM 2477 C PRO E 316 -1.477 2.433 14.101 1.00 94.83 C +ATOM 2478 O PRO E 316 -2.422 2.641 13.324 1.00 43.52 O +ATOM 2479 CB PRO E 316 0.470 2.462 12.659 1.00 74.90 C +ATOM 2480 CG PRO E 316 -0.100 2.114 11.302 1.00 37.87 C +ATOM 2481 CD PRO E 316 -0.800 0.775 11.476 1.00 45.65 C +ATOM 2482 N LYS E 317 -1.434 2.889 15.336 1.00 33.17 N +ATOM 2483 CA LYS E 317 -2.516 3.719 15.788 1.00100.00 C +ATOM 2484 C LYS E 317 -2.089 5.155 15.910 1.00 74.05 C +ATOM 2485 O LYS E 317 -1.019 5.459 16.446 1.00 59.27 O +ATOM 2486 CB LYS E 317 -3.627 3.178 16.677 1.00100.00 C +ATOM 2487 CG LYS E 317 -5.019 3.556 16.166 1.00100.00 C +ATOM 2488 CD LYS E 317 -5.187 3.406 14.653 1.00100.00 C +ATOM 2489 CE LYS E 317 -6.092 4.468 14.030 1.00100.00 C +ATOM 2490 NZ LYS E 317 -6.068 4.477 12.554 1.00100.00 N +ATOM 2491 N PHE E 318 -2.921 6.014 15.342 1.00 29.49 N +ATOM 2492 CA PHE E 318 -2.653 7.419 15.310 1.00100.00 C +ATOM 2493 C PHE E 318 -3.780 8.233 15.875 1.00 51.93 C +ATOM 2494 O PHE E 318 -4.955 7.984 15.620 1.00 44.19 O +ATOM 2495 CB PHE E 318 -2.125 7.862 13.951 1.00 75.05 C +ATOM 2496 CG PHE E 318 -3.079 8.652 13.116 1.00100.00 C +ATOM 2497 CD1 PHE E 318 -4.411 8.321 12.908 1.00 76.86 C +ATOM 2498 CD2 PHE E 318 -2.620 9.822 12.483 1.00100.00 C +ATOM 2499 CE1 PHE E 318 -5.205 9.151 12.108 1.00100.00 C +ATOM 2500 CE2 PHE E 318 -3.352 10.649 11.639 1.00 62.73 C +ATOM 2501 CZ PHE E 318 -4.685 10.281 11.468 1.00 34.86 C +ATOM 2502 N LYS E 319 -3.383 9.194 16.680 1.00 57.76 N +ATOM 2503 CA LYS E 319 -4.318 10.045 17.364 1.00100.00 C +ATOM 2504 C LYS E 319 -4.588 11.403 16.743 1.00 87.82 C +ATOM 2505 O LYS E 319 -4.003 12.419 17.126 1.00 69.80 O +ATOM 2506 CB LYS E 319 -3.934 10.150 18.829 1.00 97.75 C +ATOM 2507 CG LYS E 319 -3.008 9.018 19.260 1.00 77.34 C +ATOM 2508 CD LYS E 319 -1.552 9.255 18.862 1.00100.00 C +ATOM 2509 CE LYS E 319 -0.663 8.022 18.999 1.00100.00 C +ATOM 2510 NZ LYS E 319 0.775 8.339 19.103 1.00100.00 N +ATOM 2511 N GLY E 320 -5.508 11.422 15.794 1.00 49.92 N +ATOM 2512 CA GLY E 320 -5.877 12.669 15.157 1.00 32.29 C +ATOM 2513 C GLY E 320 -5.171 12.943 13.856 1.00 54.15 C +ATOM 2514 O GLY E 320 -3.976 12.709 13.741 1.00 40.96 O +ATOM 2515 N PRO E 321 -5.937 13.449 12.884 1.00100.00 N +ATOM 2516 CA PRO E 321 -5.396 13.768 11.582 1.00 66.41 C +ATOM 2517 C PRO E 321 -4.266 14.736 11.767 1.00 35.47 C +ATOM 2518 O PRO E 321 -4.357 15.658 12.586 1.00 52.05 O +ATOM 2519 CB PRO E 321 -6.517 14.426 10.771 1.00100.00 C +ATOM 2520 CG PRO E 321 -7.708 14.584 11.704 1.00100.00 C +ATOM 2521 CD PRO E 321 -7.305 14.009 13.056 1.00100.00 C +ATOM 2522 N GLY E 322 -3.195 14.519 11.020 1.00 34.54 N +ATOM 2523 CA GLY E 322 -2.047 15.391 11.152 1.00 20.90 C +ATOM 2524 C GLY E 322 -1.151 14.979 12.341 1.00 21.89 C +ATOM 2525 O GLY E 322 -0.224 15.692 12.687 1.00 44.54 O +ATOM 2526 N ASP E 323 -1.444 13.831 12.967 1.00 45.32 N +ATOM 2527 CA ASP E 323 -0.646 13.308 14.074 1.00 34.36 C +ATOM 2528 C ASP E 323 0.591 12.725 13.426 1.00 77.83 C +ATOM 2529 O ASP E 323 0.478 12.022 12.492 1.00 35.66 O +ATOM 2530 CB ASP E 323 -1.426 12.261 14.910 1.00 18.91 C +ATOM 2531 CG ASP E 323 -0.628 11.275 15.739 1.00 47.51 C +ATOM 2532 OD1 ASP E 323 0.394 11.802 16.358 1.00 42.88 O +ATOM 2533 OD2 ASP E 323 -0.926 10.099 15.836 1.00 44.67 O +ATOM 2534 N THR E 324 1.780 13.079 13.872 1.00 44.46 N +ATOM 2535 CA THR E 324 2.992 12.565 13.240 1.00 37.91 C +ATOM 2536 C THR E 324 3.829 11.661 14.130 1.00 28.51 C +ATOM 2537 O THR E 324 5.029 11.427 13.881 1.00 30.87 O +ATOM 2538 CB THR E 324 3.815 13.715 12.610 1.00 48.77 C +ATOM 2539 OG1 THR E 324 4.469 14.510 13.588 1.00 14.40 O +ATOM 2540 CG2 THR E 324 2.853 14.604 11.850 1.00 39.45 C +ATOM 2541 N SER E 325 3.197 11.154 15.180 1.00 44.16 N +ATOM 2542 CA SER E 325 3.902 10.290 16.102 1.00 22.45 C +ATOM 2543 C SER E 325 4.559 9.084 15.437 1.00 56.58 C +ATOM 2544 O SER E 325 5.460 8.512 16.006 1.00 39.69 O +ATOM 2545 CB SER E 325 3.111 9.918 17.334 1.00 12.88 C +ATOM 2546 OG SER E 325 1.799 9.542 16.939 1.00 34.65 O +ATOM 2547 N ASN E 326 4.162 8.660 14.243 1.00 22.89 N +ATOM 2548 CA ASN E 326 4.870 7.517 13.722 1.00 25.40 C +ATOM 2549 C ASN E 326 6.141 7.798 12.923 1.00 40.53 C +ATOM 2550 O ASN E 326 6.724 6.878 12.348 1.00 19.27 O +ATOM 2551 CB ASN E 326 3.999 6.458 13.078 1.00 17.08 C +ATOM 2552 CG ASN E 326 2.696 6.260 13.813 1.00 22.32 C +ATOM 2553 OD1 ASN E 326 2.463 5.189 14.371 1.00 28.89 O +ATOM 2554 ND2 ASN E 326 1.833 7.271 13.795 1.00 46.21 N +ATOM 2555 N PHE E 327 6.583 9.056 12.885 1.00 11.61 N +ATOM 2556 CA PHE E 327 7.809 9.376 12.138 1.00 16.96 C +ATOM 2557 C PHE E 327 8.864 9.938 13.094 1.00 53.04 C +ATOM 2558 O PHE E 327 8.517 10.413 14.152 1.00 21.85 O +ATOM 2559 CB PHE E 327 7.495 10.451 11.079 1.00 18.39 C +ATOM 2560 CG PHE E 327 6.521 9.977 10.026 1.00 19.38 C +ATOM 2561 CD1 PHE E 327 6.963 9.283 8.898 1.00 24.43 C +ATOM 2562 CD2 PHE E 327 5.157 10.226 10.163 1.00 33.00 C +ATOM 2563 CE1 PHE E 327 6.064 8.851 7.923 1.00 35.49 C +ATOM 2564 CE2 PHE E 327 4.241 9.803 9.202 1.00 21.95 C +ATOM 2565 CZ PHE E 327 4.701 9.108 8.082 1.00 57.23 C +ATOM 2566 N ASP E 328 10.151 9.909 12.765 1.00 44.81 N +ATOM 2567 CA ASP E 328 11.117 10.491 13.700 1.00 33.23 C +ATOM 2568 C ASP E 328 11.030 12.003 13.577 1.00 34.20 C +ATOM 2569 O ASP E 328 10.321 12.509 12.704 1.00 40.44 O +ATOM 2570 CB ASP E 328 12.578 10.150 13.356 1.00 38.15 C +ATOM 2571 CG ASP E 328 13.020 8.743 13.609 1.00 28.51 C +ATOM 2572 OD1 ASP E 328 12.217 8.079 14.409 1.00 43.63 O +ATOM 2573 OD2 ASP E 328 14.041 8.286 13.108 1.00 36.25 O +ATOM 2574 N ASP E 329 11.777 12.719 14.418 1.00 25.61 N +ATOM 2575 CA ASP E 329 11.811 14.181 14.359 1.00 38.42 C +ATOM 2576 C ASP E 329 13.014 14.610 13.489 1.00 30.84 C +ATOM 2577 O ASP E 329 14.071 13.991 13.571 1.00 58.92 O +ATOM 2578 CB ASP E 329 11.824 14.842 15.773 1.00 60.68 C +ATOM 2579 CG ASP E 329 10.638 14.508 16.674 1.00 35.92 C +ATOM 2580 OD1 ASP E 329 9.474 14.727 16.113 1.00 39.18 O +ATOM 2581 OD2 ASP E 329 10.759 14.071 17.810 1.00 91.97 O +ATOM 2582 N TYR E 330 12.847 15.655 12.653 1.00 41.28 N +ATOM 2583 CA TYR E 330 13.912 16.157 11.769 1.00 24.15 C +ATOM 2584 C TYR E 330 14.183 17.648 11.936 1.00 67.01 C +ATOM 2585 O TYR E 330 13.267 18.405 12.204 1.00 32.93 O +ATOM 2586 CB TYR E 330 13.613 15.899 10.269 1.00 18.44 C +ATOM 2587 CG TYR E 330 13.621 14.424 9.940 1.00 37.81 C +ATOM 2588 CD1 TYR E 330 12.466 13.657 10.073 1.00 8.43 C +ATOM 2589 CD2 TYR E 330 14.786 13.796 9.511 1.00 29.23 C +ATOM 2590 CE1 TYR E 330 12.460 12.293 9.783 1.00 28.54 C +ATOM 2591 CE2 TYR E 330 14.814 12.433 9.230 1.00 45.55 C +ATOM 2592 CZ TYR E 330 13.646 11.688 9.368 1.00 18.50 C +ATOM 2593 OH TYR E 330 13.684 10.354 9.085 1.00 25.91 O +ATOM 2594 N GLU E 331 15.440 18.083 11.759 1.00 21.05 N +ATOM 2595 CA GLU E 331 15.799 19.490 11.878 1.00 21.27 C +ATOM 2596 C GLU E 331 15.054 20.208 10.780 1.00 34.92 C +ATOM 2597 O GLU E 331 15.056 19.739 9.656 1.00 38.58 O +ATOM 2598 CB GLU E 331 17.317 19.718 11.683 1.00 43.37 C +ATOM 2599 CG GLU E 331 17.806 19.338 10.256 1.00100.00 C +ATOM 2600 CD GLU E 331 18.757 20.311 9.572 1.00100.00 C +ATOM 2601 OE1 GLU E 331 19.186 21.327 10.099 1.00100.00 O +ATOM 2602 OE2 GLU E 331 19.093 19.936 8.347 1.00100.00 O +ATOM 2603 N GLU E 332 14.394 21.316 11.093 1.00100.00 N +ATOM 2604 CA GLU E 332 13.659 21.996 10.041 1.00 40.16 C +ATOM 2605 C GLU E 332 14.461 22.955 9.183 1.00 27.00 C +ATOM 2606 O GLU E 332 14.821 24.064 9.576 1.00100.00 O +ATOM 2607 CB GLU E 332 12.282 22.603 10.396 1.00 24.91 C +ATOM 2608 CG GLU E 332 11.396 21.743 11.310 1.00 41.44 C +ATOM 2609 CD GLU E 332 10.769 20.602 10.586 1.00 27.25 C +ATOM 2610 OE1 GLU E 332 10.758 20.780 9.282 1.00 33.92 O +ATOM 2611 OE2 GLU E 332 10.343 19.607 11.163 1.00 41.89 O +ATOM 2612 N GLU E 333 14.716 22.501 7.994 1.00100.00 N +ATOM 2613 CA GLU E 333 15.411 23.316 7.061 1.00 34.72 C +ATOM 2614 C GLU E 333 14.304 24.272 6.640 1.00 44.64 C +ATOM 2615 O GLU E 333 13.125 23.925 6.721 1.00 29.95 O +ATOM 2616 CB GLU E 333 15.915 22.401 5.926 1.00100.00 C +ATOM 2617 CG GLU E 333 16.760 21.275 6.547 1.00100.00 C +ATOM 2618 CD GLU E 333 16.198 19.871 6.553 1.00100.00 C +ATOM 2619 OE1 GLU E 333 15.235 19.450 7.212 1.00 81.19 O +ATOM 2620 OE2 GLU E 333 16.987 19.040 5.884 1.00 89.60 O +ATOM 2621 N GLU E 334 14.630 25.480 6.236 1.00 92.72 N +ATOM 2622 CA GLU E 334 13.557 26.371 5.848 1.00 37.65 C +ATOM 2623 C GLU E 334 13.395 26.416 4.345 1.00 22.08 C +ATOM 2624 O GLU E 334 14.331 26.131 3.608 1.00100.00 O +ATOM 2625 CB GLU E 334 13.589 27.742 6.541 1.00100.00 C +ATOM 2626 CG GLU E 334 13.817 27.658 8.078 1.00100.00 C +ATOM 2627 CD GLU E 334 12.888 26.729 8.848 1.00100.00 C +ATOM 2628 OE1 GLU E 334 11.610 27.008 8.703 1.00100.00 O +ATOM 2629 OE2 GLU E 334 13.291 25.822 9.558 1.00100.00 O +ATOM 2630 N ILE E 335 12.203 26.725 3.854 1.00 46.03 N +ATOM 2631 CA ILE E 335 12.049 26.691 2.398 1.00 35.77 C +ATOM 2632 C ILE E 335 12.446 27.985 1.716 1.00 52.78 C +ATOM 2633 O ILE E 335 12.163 29.083 2.201 1.00 48.96 O +ATOM 2634 CB ILE E 335 10.671 26.195 2.001 1.00100.00 C +ATOM 2635 CG1 ILE E 335 10.465 24.754 2.439 1.00 37.66 C +ATOM 2636 CG2 ILE E 335 10.550 26.263 0.508 1.00 13.53 C +ATOM 2637 CD1 ILE E 335 11.727 24.114 3.014 1.00100.00 C +ATOM 2638 N ARG E 336 13.118 27.889 0.582 1.00 52.71 N +ATOM 2639 CA ARG E 336 13.505 29.142 -0.019 1.00 66.42 C +ATOM 2640 C ARG E 336 13.422 29.218 -1.507 1.00 25.44 C +ATOM 2641 O ARG E 336 14.020 28.429 -2.226 1.00100.00 O +ATOM 2642 CB ARG E 336 14.890 29.572 0.417 1.00 28.94 C +ATOM 2643 CG ARG E 336 15.771 28.386 0.820 1.00100.00 C +ATOM 2644 CD ARG E 336 16.821 28.759 1.873 1.00100.00 C +ATOM 2645 NE ARG E 336 17.295 27.648 2.716 1.00100.00 N +ATOM 2646 CZ ARG E 336 16.813 27.335 3.933 1.00100.00 C +ATOM 2647 NH1 ARG E 336 15.804 28.004 4.509 1.00 76.82 N +ATOM 2648 NH2 ARG E 336 17.338 26.295 4.591 1.00 72.97 N +ATOM 2649 N VAL E 337 12.679 30.223 -1.943 1.00 39.64 N +ATOM 2650 CA VAL E 337 12.481 30.524 -3.334 1.00 61.44 C +ATOM 2651 C VAL E 337 13.234 31.795 -3.685 1.00 22.64 C +ATOM 2652 O VAL E 337 13.186 32.790 -2.978 1.00 82.70 O +ATOM 2653 CB VAL E 337 11.013 30.562 -3.735 1.00 26.62 C +ATOM 2654 CG1 VAL E 337 10.874 29.842 -5.084 1.00 27.87 C +ATOM 2655 CG2 VAL E 337 10.192 29.827 -2.678 1.00 60.61 C +ATOM 2656 N ILE E 339 14.700 34.973 -6.353 1.00 27.69 N +ATOM 2657 CA ILE E 339 14.154 36.042 -7.158 1.00 41.71 C +ATOM 2658 C ILE E 339 14.280 35.665 -8.618 1.00 52.79 C +ATOM 2659 O ILE E 339 13.506 36.104 -9.468 1.00100.00 O +ATOM 2660 CB ILE E 339 14.916 37.341 -6.923 1.00 44.10 C +ATOM 2661 CG1 ILE E 339 14.684 37.859 -5.510 1.00 53.36 C +ATOM 2662 CG2 ILE E 339 14.554 38.391 -7.963 1.00 54.95 C +ATOM 2663 CD1 ILE E 339 15.993 38.063 -4.753 1.00100.00 C +ATOM 2664 N ASN E 340 15.278 34.831 -8.892 1.00 27.70 N +ATOM 2665 CA ASN E 340 15.542 34.400 -10.243 1.00 44.80 C +ATOM 2666 C ASN E 340 15.361 32.918 -10.440 1.00 71.44 C +ATOM 2667 O ASN E 340 15.587 32.127 -9.526 1.00 28.10 O +ATOM 2668 CB ASN E 340 16.950 34.813 -10.709 1.00 60.84 C +ATOM 2669 CG ASN E 340 17.522 36.023 -9.985 1.00100.00 C +ATOM 2670 OD1 ASN E 340 17.380 37.176 -10.445 1.00100.00 O +ATOM 2671 ND2 ASN E 340 18.184 35.758 -8.852 1.00 48.17 N +ATOM 2672 N GLU E 341 14.951 32.561 -11.653 1.00 47.33 N +ATOM 2673 CA GLU E 341 14.755 31.172 -12.000 1.00 37.08 C +ATOM 2674 C GLU E 341 16.113 30.504 -11.995 1.00 62.38 C +ATOM 2675 O GLU E 341 17.102 31.101 -12.414 1.00 93.38 O +ATOM 2676 CB GLU E 341 14.101 31.047 -13.375 1.00 37.03 C +ATOM 2677 CG GLU E 341 13.030 29.954 -13.465 1.00 39.80 C +ATOM 2678 CD GLU E 341 12.755 29.603 -14.895 1.00100.00 C +ATOM 2679 OE1 GLU E 341 13.544 29.854 -15.790 1.00 88.62 O +ATOM 2680 OE2 GLU E 341 11.594 29.023 -15.068 1.00 84.96 O +ATOM 2681 N LYS E 342 16.175 29.274 -11.513 1.00 32.07 N +ATOM 2682 CA LYS E 342 17.452 28.594 -11.441 1.00 65.53 C +ATOM 2683 C LYS E 342 17.887 27.733 -12.648 1.00 59.01 C +ATOM 2684 O LYS E 342 18.929 28.001 -13.258 1.00 99.54 O +ATOM 2685 CB LYS E 342 17.626 27.942 -10.081 1.00 22.51 C +ATOM 2686 CG LYS E 342 18.487 28.736 -9.104 1.00100.00 C +ATOM 2687 CD LYS E 342 18.802 30.163 -9.539 1.00 39.85 C +ATOM 2688 CE LYS E 342 19.399 31.036 -8.426 1.00100.00 C +ATOM 2689 NZ LYS E 342 20.125 30.313 -7.353 1.00 45.07 N +ATOM 2690 N CYS E 343 17.103 26.696 -12.984 1.00 36.94 N +ATOM 2691 CA CYS E 343 17.355 25.761 -14.097 1.00 57.31 C +ATOM 2692 C CYS E 343 16.063 25.500 -14.871 1.00 27.49 C +ATOM 2693 O CYS E 343 15.571 24.373 -14.944 1.00 72.80 O +ATOM 2694 CB CYS E 343 17.899 24.385 -13.611 1.00 18.00 C +ATOM 2695 SG CYS E 343 19.178 24.440 -12.316 1.00 34.58 S +ATOM 2696 N GLY E 344 15.505 26.549 -15.446 1.00 45.18 N +ATOM 2697 CA GLY E 344 14.259 26.453 -16.168 1.00 9.04 C +ATOM 2698 C GLY E 344 14.146 25.387 -17.254 1.00 17.13 C +ATOM 2699 O GLY E 344 13.247 24.533 -17.293 1.00 32.70 O +ATOM 2700 N LYS E 345 15.063 25.461 -18.172 1.00 39.41 N +ATOM 2701 CA LYS E 345 15.074 24.577 -19.304 1.00 28.51 C +ATOM 2702 C LYS E 345 15.155 23.097 -18.999 1.00 21.21 C +ATOM 2703 O LYS E 345 14.521 22.282 -19.661 1.00 44.34 O +ATOM 2704 CB LYS E 345 16.171 24.994 -20.258 1.00 46.53 C +ATOM 2705 CG LYS E 345 17.169 25.960 -19.613 1.00100.00 C +ATOM 2706 CD LYS E 345 16.652 27.390 -19.395 1.00100.00 C +ATOM 2707 CE LYS E 345 15.993 28.028 -20.620 1.00100.00 C +ATOM 2708 NZ LYS E 345 15.490 29.393 -20.367 1.00 88.64 N +ATOM 2709 N GLU E 346 15.978 22.764 -18.014 1.00 18.45 N +ATOM 2710 CA GLU E 346 16.193 21.388 -17.645 1.00 18.19 C +ATOM 2711 C GLU E 346 14.933 20.747 -17.106 1.00 39.77 C +ATOM 2712 O GLU E 346 14.752 19.550 -17.194 1.00 25.14 O +ATOM 2713 CB GLU E 346 17.354 21.272 -16.622 1.00 38.04 C +ATOM 2714 CG GLU E 346 18.761 21.529 -17.212 1.00 31.36 C +ATOM 2715 CD GLU E 346 19.140 22.991 -17.389 1.00100.00 C +ATOM 2716 OE1 GLU E 346 18.394 23.817 -16.706 1.00 42.17 O +ATOM 2717 OE2 GLU E 346 20.050 23.377 -18.108 1.00 81.38 O +ATOM 2718 N PHE E 347 14.061 21.558 -16.534 1.00 23.33 N +ATOM 2719 CA PHE E 347 12.865 21.018 -15.953 1.00 33.69 C +ATOM 2720 C PHE E 347 11.606 21.458 -16.655 1.00 31.67 C +ATOM 2721 O PHE E 347 10.516 21.379 -16.106 1.00 24.12 O +ATOM 2722 CB PHE E 347 12.831 21.289 -14.421 1.00 19.40 C +ATOM 2723 CG PHE E 347 13.979 20.632 -13.695 1.00 24.59 C +ATOM 2724 CD1 PHE E 347 13.971 19.254 -13.465 1.00 12.17 C +ATOM 2725 CD2 PHE E 347 15.090 21.370 -13.284 1.00 49.06 C +ATOM 2726 CE1 PHE E 347 15.039 18.616 -12.839 1.00 26.00 C +ATOM 2727 CE2 PHE E 347 16.160 20.750 -12.641 1.00 22.74 C +ATOM 2728 CZ PHE E 347 16.136 19.372 -12.432 1.00 13.74 C +ATOM 2729 N THR E 348 11.763 21.934 -17.874 1.00 22.25 N +ATOM 2730 CA THR E 348 10.625 22.389 -18.650 1.00 17.08 C +ATOM 2731 C THR E 348 9.434 21.442 -18.620 1.00 32.18 C +ATOM 2732 O THR E 348 8.320 21.872 -18.846 1.00 25.01 O +ATOM 2733 CB THR E 348 10.927 22.550 -20.141 1.00 25.52 C +ATOM 2734 OG1 THR E 348 12.260 22.893 -20.419 1.00 45.06 O +ATOM 2735 CG2 THR E 348 9.944 23.528 -20.747 1.00 36.37 C +ATOM 2736 N GLU E 349 9.636 20.151 -18.393 1.00 38.75 N +ATOM 2737 CA GLU E 349 8.484 19.273 -18.436 1.00 9.27 C +ATOM 2738 C GLU E 349 7.825 18.854 -17.147 1.00 45.90 C +ATOM 2739 O GLU E 349 6.779 18.201 -17.161 1.00 16.00 O +ATOM 2740 CB GLU E 349 8.684 18.083 -19.360 1.00 12.74 C +ATOM 2741 CG GLU E 349 9.053 16.857 -18.554 1.00 22.56 C +ATOM 2742 CD GLU E 349 9.228 15.683 -19.434 1.00100.00 C +ATOM 2743 OE1 GLU E 349 9.644 15.752 -20.586 1.00 32.97 O +ATOM 2744 OE2 GLU E 349 8.858 14.593 -18.823 1.00 22.21 O +ATOM 2745 N PHE E 350 8.421 19.214 -16.041 1.00 31.23 N +ATOM 2746 CA PHE E 350 7.839 18.888 -14.757 1.00 67.13 C +ATOM 2747 C PHE E 350 6.516 19.638 -14.600 1.00 11.93 C +ATOM 2748 O PHE E 350 6.541 20.886 -14.643 1.00 27.29 O +ATOM 2749 CB PHE E 350 8.783 19.354 -13.647 1.00 24.53 C +ATOM 2750 CG PHE E 350 8.457 18.771 -12.309 1.00 15.48 C +ATOM 2751 CD1 PHE E 350 7.543 19.419 -11.471 1.00 24.68 C +ATOM 2752 CD2 PHE E 350 9.062 17.583 -11.881 1.00 9.19 C +ATOM 2753 CE1 PHE E 350 7.238 18.902 -10.209 1.00 32.35 C +ATOM 2754 CE2 PHE E 350 8.753 17.052 -10.628 1.00 55.63 C +ATOM 2755 CZ PHE E 350 7.847 17.716 -9.793 1.00 19.43 C +ATOM 2756 OXT PHE E 350 5.459 19.006 -14.471 1.00 25.00 O +TER 2757 PHE E 350 +END diff --git a/bench/main_benchmark/structures/SFB_AL_PKA_1ATPE_2CPKE/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_PKA_1ATPE_2CPKE/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bbf7ee87293c40800e2db00496f5a094c636c0a1 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_PKA_1ATPE_2CPKE/state_b.pdb @@ -0,0 +1,2636 @@ +ATOM 1 N VAL E 15 -6.231 -11.534 -13.103 1.00 55.94 N +ATOM 2 CA VAL E 15 -5.053 -10.685 -12.910 1.00 56.79 C +ATOM 3 C VAL E 15 -4.690 -10.006 -14.248 1.00 56.48 C +ATOM 4 O VAL E 15 -4.614 -8.778 -14.331 1.00 57.86 O +ATOM 5 CB VAL E 15 -3.882 -11.639 -12.296 1.00 55.06 C +ATOM 6 CG1 VAL E 15 -4.162 -13.126 -12.545 1.00 54.36 C +ATOM 7 CG2 VAL E 15 -2.535 -11.411 -12.984 1.00 54.34 C +ATOM 8 N LYS E 16 -4.509 -10.844 -15.283 1.00 54.31 N +ATOM 9 CA LYS E 16 -4.150 -10.387 -16.638 1.00 52.33 C +ATOM 10 C LYS E 16 -5.198 -9.464 -17.248 1.00 49.85 C +ATOM 11 O LYS E 16 -4.887 -8.520 -17.974 1.00 49.20 O +ATOM 12 CB LYS E 16 -3.905 -11.601 -17.542 1.00 51.86 C +ATOM 13 CG LYS E 16 -2.612 -12.346 -17.108 1.00 55.56 C +ATOM 14 CD LYS E 16 -1.337 -11.507 -17.327 1.00 58.69 C +ATOM 15 CE LYS E 16 -0.313 -11.499 -16.162 1.00 63.40 C +ATOM 16 NZ LYS E 16 0.625 -10.380 -16.357 1.00 64.54 N +ATOM 17 N GLU E 17 -6.443 -9.759 -16.892 1.00 48.68 N +ATOM 18 CA GLU E 17 -7.589 -8.960 -17.295 1.00 49.33 C +ATOM 19 C GLU E 17 -7.483 -7.555 -16.700 1.00 49.03 C +ATOM 20 O GLU E 17 -7.488 -6.542 -17.410 1.00 51.34 O +ATOM 21 CB GLU E 17 -8.833 -9.654 -16.781 1.00 51.15 C +ATOM 22 N PHE E 18 -7.329 -7.521 -15.363 1.00 46.45 N +ATOM 23 CA PHE E 18 -7.230 -6.250 -14.668 1.00 41.21 C +ATOM 24 C PHE E 18 -6.018 -5.525 -15.225 1.00 37.82 C +ATOM 25 O PHE E 18 -6.128 -4.380 -15.657 1.00 35.50 O +ATOM 26 CB PHE E 18 -7.112 -6.547 -13.182 1.00 42.45 C +ATOM 27 CG PHE E 18 -6.628 -5.405 -12.303 1.00 44.00 C +ATOM 28 CD1 PHE E 18 -7.345 -4.232 -12.202 1.00 45.24 C +ATOM 29 CD2 PHE E 18 -5.428 -5.541 -11.617 1.00 46.11 C +ATOM 30 CE1 PHE E 18 -6.846 -3.199 -11.415 1.00 48.92 C +ATOM 31 CE2 PHE E 18 -4.936 -4.511 -10.836 1.00 47.44 C +ATOM 32 CZ PHE E 18 -5.646 -3.333 -10.735 1.00 48.28 C +ATOM 33 N LEU E 19 -4.917 -6.254 -15.354 1.00 33.05 N +ATOM 34 CA LEU E 19 -3.655 -5.721 -15.806 1.00 30.53 C +ATOM 35 C LEU E 19 -3.754 -4.995 -17.135 1.00 31.76 C +ATOM 36 O LEU E 19 -3.243 -3.889 -17.321 1.00 32.81 O +ATOM 37 CB LEU E 19 -2.699 -6.884 -15.854 1.00 23.38 C +ATOM 38 CG LEU E 19 -1.669 -6.927 -14.754 1.00 21.60 C +ATOM 39 CD1 LEU E 19 -2.225 -6.677 -13.382 1.00 20.25 C +ATOM 40 CD2 LEU E 19 -1.092 -8.291 -14.787 1.00 20.24 C +ATOM 41 N ALA E 20 -4.502 -5.619 -18.026 1.00 32.83 N +ATOM 42 CA ALA E 20 -4.804 -5.085 -19.327 1.00 31.75 C +ATOM 43 C ALA E 20 -5.543 -3.769 -19.176 1.00 30.96 C +ATOM 44 O ALA E 20 -5.047 -2.730 -19.637 1.00 33.96 O +ATOM 45 CB ALA E 20 -5.677 -6.075 -20.063 1.00 33.57 C +ATOM 46 N LYS E 21 -6.676 -3.732 -18.466 1.00 28.75 N +ATOM 47 CA LYS E 21 -7.435 -2.490 -18.326 1.00 25.38 C +ATOM 48 C LYS E 21 -6.620 -1.395 -17.642 1.00 24.87 C +ATOM 49 O LYS E 21 -6.722 -0.198 -17.977 1.00 24.70 O +ATOM 50 CB LYS E 21 -8.725 -2.799 -17.552 1.00 23.96 C +ATOM 51 N ALA E 22 -5.707 -1.863 -16.762 1.00 26.04 N +ATOM 52 CA ALA E 22 -4.814 -1.031 -15.970 1.00 22.75 C +ATOM 53 C ALA E 22 -3.694 -0.510 -16.841 1.00 21.59 C +ATOM 54 O ALA E 22 -3.173 0.597 -16.593 1.00 23.60 O +ATOM 55 CB ALA E 22 -4.198 -1.810 -14.825 1.00 20.83 C +ATOM 56 N LYS E 23 -3.348 -1.219 -17.907 1.00 19.74 N +ATOM 57 CA LYS E 23 -2.334 -0.671 -18.791 1.00 23.07 C +ATOM 58 C LYS E 23 -2.885 0.498 -19.574 1.00 22.86 C +ATOM 59 O LYS E 23 -2.179 1.493 -19.755 1.00 23.48 O +ATOM 60 CB LYS E 23 -1.820 -1.678 -19.796 1.00 22.87 C +ATOM 61 CG LYS E 23 -0.306 -1.665 -19.943 1.00 23.96 C +ATOM 62 CD LYS E 23 0.092 -2.897 -20.755 1.00 27.46 C +ATOM 63 CE LYS E 23 1.630 -3.098 -20.786 1.00 29.04 C +ATOM 64 NZ LYS E 23 2.345 -1.960 -21.404 1.00 24.71 N +ATOM 65 N GLU E 24 -4.152 0.472 -19.975 1.00 24.06 N +ATOM 66 CA GLU E 24 -4.638 1.561 -20.799 1.00 25.44 C +ATOM 67 C GLU E 24 -4.644 2.821 -19.992 1.00 25.59 C +ATOM 68 O GLU E 24 -4.147 3.817 -20.512 1.00 25.91 O +ATOM 69 CB GLU E 24 -6.055 1.315 -21.342 1.00 26.85 C +ATOM 70 N ASP E 25 -5.042 2.798 -18.711 1.00 27.03 N +ATOM 71 CA ASP E 25 -5.060 4.062 -18.006 1.00 26.12 C +ATOM 72 C ASP E 25 -3.640 4.567 -17.832 1.00 20.24 C +ATOM 73 O ASP E 25 -3.391 5.763 -18.050 1.00 17.51 O +ATOM 74 CB ASP E 25 -5.746 3.943 -16.631 1.00 36.94 C +ATOM 75 CG ASP E 25 -5.927 5.325 -15.908 1.00 49.03 C +ATOM 76 OD1 ASP E 25 -6.425 6.285 -16.553 1.00 49.08 O +ATOM 77 OD2 ASP E 25 -5.557 5.440 -14.707 1.00 52.54 O +ATOM 78 N PHE E 26 -2.720 3.633 -17.578 1.00 16.22 N +ATOM 79 CA PHE E 26 -1.315 3.983 -17.449 1.00 13.43 C +ATOM 80 C PHE E 26 -0.907 4.763 -18.649 1.00 15.48 C +ATOM 81 O PHE E 26 -0.459 5.903 -18.482 1.00 18.43 O +ATOM 82 CB PHE E 26 -0.346 2.826 -17.422 1.00 8.71 C +ATOM 83 CG PHE E 26 1.061 3.322 -17.236 1.00 6.34 C +ATOM 84 CD1 PHE E 26 1.428 3.919 -16.047 1.00 7.43 C +ATOM 85 CD2 PHE E 26 1.983 3.165 -18.264 1.00 7.58 C +ATOM 86 CE1 PHE E 26 2.741 4.348 -15.923 1.00 8.39 C +ATOM 87 CE2 PHE E 26 3.291 3.599 -18.121 1.00 4.32 C +ATOM 88 CZ PHE E 26 3.668 4.193 -16.940 1.00 3.14 C +ATOM 89 N LEU E 27 -1.142 4.224 -19.848 1.00 14.64 N +ATOM 90 CA LEU E 27 -0.647 4.934 -21.006 1.00 14.14 C +ATOM 91 C LEU E 27 -1.357 6.223 -21.235 1.00 15.95 C +ATOM 92 O LEU E 27 -0.680 7.173 -21.623 1.00 16.26 O +ATOM 93 CB LEU E 27 -0.761 4.113 -22.239 1.00 12.00 C +ATOM 94 CG LEU E 27 0.011 2.820 -22.107 1.00 13.01 C +ATOM 95 CD1 LEU E 27 -0.422 1.932 -23.231 1.00 12.59 C +ATOM 96 CD2 LEU E 27 1.511 3.063 -22.058 1.00 9.80 C +ATOM 97 N LYS E 28 -2.647 6.320 -20.931 1.00 15.80 N +ATOM 98 CA LYS E 28 -3.316 7.585 -21.096 1.00 17.64 C +ATOM 99 C LYS E 28 -2.696 8.659 -20.231 1.00 17.59 C +ATOM 100 O LYS E 28 -2.441 9.735 -20.769 1.00 16.82 O +ATOM 101 CB LYS E 28 -4.782 7.500 -20.747 1.00 22.96 C +ATOM 102 CG LYS E 28 -5.675 6.747 -21.731 1.00 27.15 C +ATOM 103 CD LYS E 28 -5.788 7.457 -23.057 1.00 28.33 C +ATOM 104 N LYS E 29 -2.368 8.420 -18.954 1.00 18.21 N +ATOM 105 CA LYS E 29 -1.738 9.484 -18.139 1.00 19.23 C +ATOM 106 C LYS E 29 -0.225 9.578 -18.414 1.00 17.73 C +ATOM 107 O LYS E 29 0.410 10.631 -18.231 1.00 13.93 O +ATOM 108 CB LYS E 29 -1.858 9.257 -16.652 1.00 22.34 C +ATOM 109 CG LYS E 29 -2.863 8.219 -16.247 1.00 28.48 C +ATOM 110 CD LYS E 29 -4.180 8.882 -16.089 1.00 35.69 C +ATOM 111 CE LYS E 29 -4.348 9.437 -14.665 1.00 42.67 C +ATOM 112 NZ LYS E 29 -4.633 8.367 -13.706 1.00 48.12 N +ATOM 113 N TRP E 30 0.351 8.447 -18.849 1.00 13.85 N +ATOM 114 CA TRP E 30 1.731 8.370 -19.231 1.00 14.47 C +ATOM 115 C TRP E 30 1.941 9.324 -20.370 1.00 17.90 C +ATOM 116 O TRP E 30 2.918 10.067 -20.340 1.00 20.02 O +ATOM 117 CB TRP E 30 2.106 7.001 -19.716 1.00 18.71 C +ATOM 118 CG TRP E 30 3.543 6.841 -20.245 1.00 27.72 C +ATOM 119 CD1 TRP E 30 3.786 6.634 -21.591 1.00 31.51 C +ATOM 120 CD2 TRP E 30 4.733 6.937 -19.527 1.00 28.51 C +ATOM 121 NE1 TRP E 30 5.102 6.626 -21.722 1.00 32.45 N +ATOM 122 CE2 TRP E 30 5.691 6.804 -20.527 1.00 28.40 C +ATOM 123 CE3 TRP E 30 5.157 7.115 -18.224 1.00 25.26 C +ATOM 124 CZ2 TRP E 30 7.035 6.858 -20.241 1.00 25.90 C +ATOM 125 CZ3 TRP E 30 6.506 7.165 -17.946 1.00 24.48 C +ATOM 126 CH2 TRP E 30 7.442 7.040 -18.941 1.00 25.44 C +ATOM 127 N GLU E 31 1.023 9.375 -21.339 1.00 20.26 N +ATOM 128 CA GLU E 31 1.300 10.136 -22.540 1.00 22.73 C +ATOM 129 C GLU E 31 0.991 11.595 -22.333 1.00 25.87 C +ATOM 130 O GLU E 31 1.679 12.471 -22.880 1.00 30.55 O +ATOM 131 CB GLU E 31 0.499 9.587 -23.728 1.00 21.75 C +ATOM 132 N THR E 32 -0.017 11.925 -21.540 1.00 27.62 N +ATOM 133 CA THR E 32 -0.255 13.334 -21.285 1.00 25.91 C +ATOM 134 C THR E 32 -0.376 13.489 -19.782 1.00 24.83 C +ATOM 135 O THR E 32 -1.479 13.453 -19.214 1.00 21.86 O +ATOM 136 CB THR E 32 -1.526 13.831 -21.935 1.00 25.67 C +ATOM 137 OG1 THR E 32 -1.804 13.181 -23.171 1.00 26.01 O +ATOM 138 CG2 THR E 32 -1.299 15.303 -22.189 1.00 30.16 C +ATOM 139 N PRO E 33 0.804 13.607 -19.179 1.00 24.33 N +ATOM 140 CA PRO E 33 1.010 13.755 -17.770 1.00 28.36 C +ATOM 141 C PRO E 33 0.387 15.010 -17.186 1.00 30.08 C +ATOM 142 O PRO E 33 0.236 15.976 -17.947 1.00 33.44 O +ATOM 143 CB PRO E 33 2.535 13.691 -17.637 1.00 29.09 C +ATOM 144 CG PRO E 33 3.088 14.256 -18.907 1.00 26.53 C +ATOM 145 CD PRO E 33 2.093 13.632 -19.855 1.00 26.36 C +ATOM 146 N SER E 34 0.034 15.065 -15.885 1.00 32.00 N +ATOM 147 CA SER E 34 -0.541 16.287 -15.306 1.00 31.83 C +ATOM 148 C SER E 34 0.565 17.247 -14.900 1.00 32.85 C +ATOM 149 O SER E 34 1.650 16.750 -14.567 1.00 33.30 O +ATOM 150 CB SER E 34 -1.349 15.984 -14.073 1.00 29.65 C +ATOM 151 OG SER E 34 -0.516 15.843 -12.897 1.00 30.19 O +ATOM 152 N GLN E 35 0.288 18.547 -14.768 1.00 32.77 N +ATOM 153 CA GLN E 35 1.348 19.491 -14.442 1.00 35.59 C +ATOM 154 C GLN E 35 0.905 20.848 -13.857 1.00 36.68 C +ATOM 155 O GLN E 35 -0.015 21.510 -14.353 1.00 36.67 O +ATOM 156 CB GLN E 35 2.155 19.684 -15.705 1.00 38.14 C +ATOM 157 CG GLN E 35 3.271 20.679 -15.618 1.00 42.46 C +ATOM 158 CD GLN E 35 3.908 20.897 -16.959 1.00 44.33 C +ATOM 159 OE1 GLN E 35 3.261 21.303 -17.930 1.00 50.09 O +ATOM 160 NE2 GLN E 35 5.182 20.614 -17.048 1.00 48.07 N +ATOM 161 N ASN E 36 1.646 21.256 -12.808 1.00 36.63 N +ATOM 162 CA ASN E 36 1.415 22.439 -11.995 1.00 34.10 C +ATOM 163 C ASN E 36 -0.035 22.652 -11.553 1.00 32.16 C +ATOM 164 O ASN E 36 -0.694 23.685 -11.673 1.00 32.09 O +ATOM 165 CB ASN E 36 1.944 23.664 -12.732 1.00 37.35 C +ATOM 166 CG ASN E 36 2.662 24.550 -11.715 1.00 42.01 C +ATOM 167 OD1 ASN E 36 3.885 24.495 -11.438 1.00 39.37 O +ATOM 168 ND2 ASN E 36 1.811 25.358 -11.097 1.00 41.49 N +ATOM 169 N THR E 37 -0.393 21.583 -10.858 1.00 29.56 N +ATOM 170 CA THR E 37 -1.670 21.321 -10.247 1.00 28.69 C +ATOM 171 C THR E 37 -1.915 22.079 -8.944 1.00 27.17 C +ATOM 172 O THR E 37 -3.009 21.950 -8.419 1.00 27.98 O +ATOM 173 CB THR E 37 -1.760 19.788 -9.987 1.00 31.19 C +ATOM 174 OG1 THR E 37 -0.999 19.100 -10.997 1.00 36.06 O +ATOM 175 CG2 THR E 37 -3.205 19.286 -10.028 1.00 32.89 C +ATOM 176 N ALA E 38 -1.012 22.823 -8.313 1.00 23.66 N +ATOM 177 CA ALA E 38 -1.250 23.483 -7.033 1.00 22.84 C +ATOM 178 C ALA E 38 -0.215 24.574 -6.880 1.00 25.10 C +ATOM 179 O ALA E 38 0.720 24.575 -7.687 1.00 27.27 O +ATOM 180 CB ALA E 38 -1.019 22.611 -5.842 1.00 23.56 C +ATOM 181 N GLN E 39 -0.302 25.526 -5.936 1.00 22.86 N +ATOM 182 CA GLN E 39 0.743 26.525 -5.716 1.00 19.42 C +ATOM 183 C GLN E 39 1.031 26.305 -4.245 1.00 19.60 C +ATOM 184 O GLN E 39 0.263 25.682 -3.503 1.00 14.07 O +ATOM 185 CB GLN E 39 0.255 27.970 -5.955 1.00 21.34 C +ATOM 186 N LEU E 40 2.172 26.812 -3.806 1.00 22.64 N +ATOM 187 CA LEU E 40 2.606 26.560 -2.433 1.00 25.98 C +ATOM 188 C LEU E 40 1.650 27.216 -1.438 1.00 28.19 C +ATOM 189 O LEU E 40 1.206 26.593 -0.470 1.00 31.62 O +ATOM 190 CB LEU E 40 4.032 27.091 -2.237 1.00 21.76 C +ATOM 191 CG LEU E 40 4.983 26.368 -1.296 1.00 25.41 C +ATOM 192 CD1 LEU E 40 6.239 27.202 -1.260 1.00 25.64 C +ATOM 193 CD2 LEU E 40 4.448 26.216 0.137 1.00 24.68 C +ATOM 194 N ASP E 41 1.283 28.464 -1.769 1.00 28.72 N +ATOM 195 CA ASP E 41 0.368 29.331 -1.033 1.00 26.26 C +ATOM 196 C ASP E 41 -0.794 28.594 -0.405 1.00 24.40 C +ATOM 197 O ASP E 41 -1.235 28.980 0.666 1.00 28.00 O +ATOM 198 CB ASP E 41 -0.177 30.422 -1.979 1.00 26.46 C +ATOM 199 N GLN E 42 -1.299 27.526 -1.002 1.00 21.41 N +ATOM 200 CA GLN E 42 -2.387 26.806 -0.395 1.00 22.33 C +ATOM 201 C GLN E 42 -1.965 25.909 0.756 1.00 21.71 C +ATOM 202 O GLN E 42 -2.875 25.270 1.292 1.00 25.83 O +ATOM 203 CB GLN E 42 -3.067 25.878 -1.354 1.00 27.34 C +ATOM 204 CG GLN E 42 -3.816 26.434 -2.531 1.00 37.43 C +ATOM 205 CD GLN E 42 -2.960 26.780 -3.729 1.00 39.30 C +ATOM 206 OE1 GLN E 42 -2.807 25.992 -4.652 1.00 42.14 O +ATOM 207 NE2 GLN E 42 -2.382 27.967 -3.782 1.00 42.78 N +ATOM 208 N PHE E 43 -0.726 25.763 1.184 1.00 18.38 N +ATOM 209 CA PHE E 43 -0.399 24.718 2.099 1.00 19.26 C +ATOM 210 C PHE E 43 0.242 25.263 3.332 1.00 21.28 C +ATOM 211 O PHE E 43 0.966 26.255 3.271 1.00 21.66 O +ATOM 212 CB PHE E 43 0.569 23.740 1.439 1.00 20.32 C +ATOM 213 CG PHE E 43 0.046 23.029 0.191 1.00 16.20 C +ATOM 214 CD1 PHE E 43 -0.798 21.949 0.328 1.00 12.46 C +ATOM 215 CD2 PHE E 43 0.374 23.526 -1.052 1.00 13.51 C +ATOM 216 CE1 PHE E 43 -1.316 21.393 -0.809 1.00 15.01 C +ATOM 217 CE2 PHE E 43 -0.152 22.959 -2.182 1.00 13.52 C +ATOM 218 CZ PHE E 43 -1.000 21.895 -2.057 1.00 14.82 C +ATOM 219 N ASP E 44 0.053 24.555 4.437 1.00 23.37 N +ATOM 220 CA ASP E 44 0.719 24.925 5.658 1.00 29.16 C +ATOM 221 C ASP E 44 1.748 23.946 6.108 1.00 29.96 C +ATOM 222 O ASP E 44 1.423 22.775 6.342 1.00 32.19 O +ATOM 223 CB ASP E 44 -0.223 25.064 6.787 1.00 37.60 C +ATOM 224 CG ASP E 44 -1.015 26.309 6.532 1.00 45.99 C +ATOM 225 OD1 ASP E 44 -0.391 27.367 6.366 1.00 51.05 O +ATOM 226 OD2 ASP E 44 -2.244 26.182 6.464 1.00 53.33 O +ATOM 227 N ARG E 45 2.968 24.466 6.238 1.00 28.10 N +ATOM 228 CA ARG E 45 4.095 23.645 6.595 1.00 27.37 C +ATOM 229 C ARG E 45 3.885 23.352 8.053 1.00 29.39 C +ATOM 230 O ARG E 45 3.757 24.323 8.818 1.00 33.48 O +ATOM 231 CB ARG E 45 5.411 24.381 6.426 1.00 24.19 C +ATOM 232 N ILE E 46 3.699 22.049 8.357 1.00 27.21 N +ATOM 233 CA ILE E 46 3.630 21.597 9.733 1.00 23.61 C +ATOM 234 C ILE E 46 4.928 20.901 10.192 1.00 22.53 C +ATOM 235 O ILE E 46 5.483 21.389 11.157 1.00 23.69 O +ATOM 236 CB ILE E 46 2.375 20.690 9.875 1.00 23.69 C +ATOM 237 CG1 ILE E 46 1.120 21.517 9.639 1.00 24.85 C +ATOM 238 CG2 ILE E 46 2.264 20.123 11.280 1.00 25.69 C +ATOM 239 CD1 ILE E 46 -0.161 20.680 9.696 1.00 26.10 C +ATOM 240 N LYS E 47 5.604 19.888 9.628 1.00 22.01 N +ATOM 241 CA LYS E 47 6.730 19.232 10.271 1.00 18.40 C +ATOM 242 C LYS E 47 7.434 18.395 9.226 1.00 18.16 C +ATOM 243 O LYS E 47 6.765 17.918 8.318 1.00 16.35 O +ATOM 244 CB LYS E 47 6.151 18.363 11.399 1.00 19.63 C +ATOM 245 CG LYS E 47 7.114 17.559 12.265 1.00 27.50 C +ATOM 246 CD LYS E 47 6.452 16.931 13.507 1.00 30.50 C +ATOM 247 CE LYS E 47 7.390 16.002 14.319 1.00 32.94 C +ATOM 248 NZ LYS E 47 7.721 14.749 13.625 1.00 37.92 N +ATOM 249 N THR E 48 8.735 18.162 9.328 1.00 16.73 N +ATOM 250 CA THR E 48 9.488 17.280 8.461 1.00 14.62 C +ATOM 251 C THR E 48 9.247 15.819 8.854 1.00 19.80 C +ATOM 252 O THR E 48 9.452 15.463 10.013 1.00 28.10 O +ATOM 253 CB THR E 48 10.948 17.603 8.614 1.00 11.04 C +ATOM 254 OG1 THR E 48 11.172 18.935 8.183 1.00 9.38 O +ATOM 255 CG2 THR E 48 11.777 16.677 7.827 1.00 9.43 C +ATOM 256 N LEU E 49 8.884 14.898 7.966 1.00 19.01 N +ATOM 257 CA LEU E 49 8.660 13.501 8.302 1.00 12.06 C +ATOM 258 C LEU E 49 9.787 12.618 7.819 1.00 12.78 C +ATOM 259 O LEU E 49 9.828 11.402 8.015 1.00 14.33 O +ATOM 260 CB LEU E 49 7.400 13.056 7.643 1.00 11.74 C +ATOM 261 CG LEU E 49 6.128 13.794 7.970 1.00 9.57 C +ATOM 262 CD1 LEU E 49 5.092 13.391 6.957 1.00 4.58 C +ATOM 263 CD2 LEU E 49 5.738 13.553 9.404 1.00 6.32 C +ATOM 264 N GLY E 50 10.722 13.178 7.088 1.00 15.20 N +ATOM 265 CA GLY E 50 11.825 12.392 6.570 1.00 16.81 C +ATOM 266 C GLY E 50 12.780 13.249 5.753 1.00 18.30 C +ATOM 267 O GLY E 50 12.487 14.334 5.236 1.00 15.16 O +ATOM 268 N THR E 51 13.927 12.670 5.570 1.00 21.19 N +ATOM 269 CA THR E 51 14.996 13.374 4.932 1.00 26.27 C +ATOM 270 C THR E 51 15.441 12.404 3.862 1.00 31.49 C +ATOM 271 O THR E 51 15.052 11.223 3.870 1.00 35.89 O +ATOM 272 CB THR E 51 15.935 13.623 6.088 1.00 26.21 C +ATOM 273 OG1 THR E 51 15.941 15.050 6.191 1.00 22.18 O +ATOM 274 CG2 THR E 51 17.263 12.853 5.994 1.00 27.12 C +ATOM 275 N GLY E 52 16.234 12.887 2.934 1.00 32.50 N +ATOM 276 CA GLY E 52 16.740 12.016 1.912 1.00 37.06 C +ATOM 277 C GLY E 52 17.954 12.649 1.261 1.00 41.74 C +ATOM 278 O GLY E 52 18.343 13.803 1.522 1.00 44.59 O +ATOM 279 N SER E 53 18.454 11.848 0.318 1.00 42.40 N +ATOM 280 CA SER E 53 19.627 12.189 -0.428 1.00 40.18 C +ATOM 281 C SER E 53 19.426 13.390 -1.320 1.00 38.93 C +ATOM 282 O SER E 53 20.418 14.075 -1.501 1.00 40.89 O +ATOM 283 CB SER E 53 20.045 10.934 -1.218 1.00 42.74 C +ATOM 284 OG SER E 53 20.004 9.662 -0.520 1.00 45.09 O +ATOM 285 N PHE E 54 18.256 13.760 -1.877 1.00 39.84 N +ATOM 286 CA PHE E 54 18.204 14.941 -2.768 1.00 39.66 C +ATOM 287 C PHE E 54 17.195 15.970 -2.270 1.00 40.43 C +ATOM 288 O PHE E 54 17.064 17.003 -2.941 1.00 41.46 O +ATOM 289 CB PHE E 54 17.833 14.553 -4.248 1.00 37.18 C +ATOM 290 CG PHE E 54 18.447 13.206 -4.610 1.00 37.99 C +ATOM 291 CD1 PHE E 54 19.815 13.054 -4.766 1.00 39.45 C +ATOM 292 CD2 PHE E 54 17.673 12.060 -4.614 1.00 37.83 C +ATOM 293 CE1 PHE E 54 20.402 11.787 -4.901 1.00 39.25 C +ATOM 294 CE2 PHE E 54 18.273 10.801 -4.749 1.00 37.78 C +ATOM 295 CZ PHE E 54 19.638 10.638 -4.889 1.00 33.29 C +ATOM 296 N GLY E 55 16.497 15.787 -1.117 1.00 39.05 N +ATOM 297 CA GLY E 55 15.492 16.757 -0.622 1.00 36.61 C +ATOM 298 C GLY E 55 14.724 16.264 0.618 1.00 33.57 C +ATOM 299 O GLY E 55 15.239 15.358 1.271 1.00 36.27 O +ATOM 300 N ARG E 56 13.518 16.746 0.969 1.00 28.20 N +ATOM 301 CA ARG E 56 12.780 16.303 2.139 1.00 24.20 C +ATOM 302 C ARG E 56 11.240 16.314 2.025 1.00 23.15 C +ATOM 303 O ARG E 56 10.636 16.938 1.144 1.00 23.41 O +ATOM 304 CB ARG E 56 13.215 17.135 3.325 1.00 22.55 C +ATOM 305 CG ARG E 56 12.669 18.517 3.315 1.00 29.64 C +ATOM 306 CD ARG E 56 13.287 19.339 4.419 1.00 38.50 C +ATOM 307 NE ARG E 56 13.002 20.756 4.228 1.00 49.79 N +ATOM 308 CZ ARG E 56 13.359 21.460 3.111 1.00 56.37 C +ATOM 309 NH1 ARG E 56 14.010 20.915 2.054 1.00 59.88 N +ATOM 310 NH2 ARG E 56 13.102 22.779 3.049 1.00 55.39 N +ATOM 311 N VAL E 57 10.579 15.619 2.960 1.00 19.39 N +ATOM 312 CA VAL E 57 9.145 15.388 2.956 1.00 13.91 C +ATOM 313 C VAL E 57 8.636 16.019 4.208 1.00 14.36 C +ATOM 314 O VAL E 57 9.101 15.702 5.310 1.00 15.03 O +ATOM 315 CB VAL E 57 8.683 13.908 3.087 1.00 10.64 C +ATOM 316 CG1 VAL E 57 7.274 13.794 2.591 1.00 8.27 C +ATOM 317 CG2 VAL E 57 9.470 12.978 2.232 1.00 6.06 C +ATOM 318 N MET E 58 7.617 16.827 4.072 1.00 13.92 N +ATOM 319 CA MET E 58 7.008 17.357 5.253 1.00 14.23 C +ATOM 320 C MET E 58 5.492 17.331 5.223 1.00 13.72 C +ATOM 321 O MET E 58 4.918 17.304 4.135 1.00 18.04 O +ATOM 322 CB MET E 58 7.551 18.742 5.442 1.00 19.06 C +ATOM 323 CG MET E 58 7.808 19.617 4.251 1.00 22.88 C +ATOM 324 SD MET E 58 8.243 21.264 4.882 1.00 31.90 S +ATOM 325 CE MET E 58 9.479 20.931 6.122 1.00 28.39 C +ATOM 326 N LEU E 59 4.853 17.251 6.401 1.00 11.67 N +ATOM 327 CA LEU E 59 3.399 17.195 6.611 1.00 8.18 C +ATOM 328 C LEU E 59 2.954 18.588 6.258 1.00 11.33 C +ATOM 329 O LEU E 59 3.493 19.595 6.742 1.00 10.55 O +ATOM 330 CB LEU E 59 2.995 16.982 8.085 1.00 4.94 C +ATOM 331 CG LEU E 59 1.819 16.144 8.553 1.00 3.23 C +ATOM 332 CD1 LEU E 59 1.401 16.646 9.900 1.00 2.00 C +ATOM 333 CD2 LEU E 59 0.637 16.255 7.647 1.00 2.65 C +ATOM 334 N VAL E 60 1.908 18.664 5.493 1.00 12.13 N +ATOM 335 CA VAL E 60 1.461 19.937 5.028 1.00 11.43 C +ATOM 336 C VAL E 60 -0.041 19.861 5.202 1.00 15.36 C +ATOM 337 O VAL E 60 -0.628 18.758 5.318 1.00 14.75 O +ATOM 338 CB VAL E 60 2.044 19.963 3.610 1.00 8.64 C +ATOM 339 CG1 VAL E 60 1.028 19.738 2.505 1.00 9.64 C +ATOM 340 CG2 VAL E 60 2.752 21.243 3.519 1.00 8.83 C +ATOM 341 N LYS E 61 -0.674 21.029 5.328 1.00 19.58 N +ATOM 342 CA LYS E 61 -2.128 21.066 5.399 1.00 22.06 C +ATOM 343 C LYS E 61 -2.656 22.017 4.368 1.00 21.69 C +ATOM 344 O LYS E 61 -2.239 23.168 4.201 1.00 19.89 O +ATOM 345 CB LYS E 61 -2.601 21.529 6.743 1.00 23.94 C +ATOM 346 CG LYS E 61 -4.095 21.388 6.875 1.00 27.15 C +ATOM 347 CD LYS E 61 -4.424 22.050 8.205 1.00 35.11 C +ATOM 348 CE LYS E 61 -5.928 22.218 8.483 1.00 38.58 C +ATOM 349 NZ LYS E 61 -6.631 20.945 8.605 1.00 41.53 N +ATOM 350 N HIS E 62 -3.596 21.473 3.654 1.00 23.40 N +ATOM 351 CA HIS E 62 -4.164 22.222 2.571 1.00 28.67 C +ATOM 352 C HIS E 62 -5.203 23.204 3.082 1.00 32.15 C +ATOM 353 O HIS E 62 -6.371 22.811 3.266 1.00 34.74 O +ATOM 354 CB HIS E 62 -4.831 21.289 1.571 1.00 30.99 C +ATOM 355 CG HIS E 62 -5.244 21.937 0.251 1.00 28.00 C +ATOM 356 ND1 HIS E 62 -4.865 23.097 -0.287 1.00 26.08 N +ATOM 357 CD2 HIS E 62 -6.056 21.293 -0.649 1.00 25.38 C +ATOM 358 CE1 HIS E 62 -5.405 23.166 -1.475 1.00 26.77 C +ATOM 359 NE2 HIS E 62 -6.115 22.082 -1.678 1.00 27.77 N +ATOM 360 N LYS E 63 -4.773 24.474 3.213 1.00 31.35 N +ATOM 361 CA LYS E 63 -5.595 25.599 3.631 1.00 28.33 C +ATOM 362 C LYS E 63 -7.075 25.489 3.285 1.00 27.47 C +ATOM 363 O LYS E 63 -7.939 25.451 4.154 1.00 28.83 O +ATOM 364 CB LYS E 63 -5.021 26.891 3.016 1.00 28.08 C +ATOM 365 CG LYS E 63 -3.685 27.388 3.590 1.00 27.11 C +ATOM 366 N GLU E 64 -7.354 25.344 1.997 1.00 29.89 N +ATOM 367 CA GLU E 64 -8.713 25.296 1.468 1.00 29.50 C +ATOM 368 C GLU E 64 -9.536 24.077 1.846 1.00 27.99 C +ATOM 369 O GLU E 64 -10.733 24.238 2.061 1.00 26.72 O +ATOM 370 CB GLU E 64 -8.676 25.392 -0.064 1.00 32.03 C +ATOM 371 N SER E 65 -8.953 22.883 1.934 1.00 26.38 N +ATOM 372 CA SER E 65 -9.750 21.701 2.228 1.00 25.55 C +ATOM 373 C SER E 65 -9.644 21.188 3.645 1.00 24.58 C +ATOM 374 O SER E 65 -10.437 20.311 4.023 1.00 23.25 O +ATOM 375 CB SER E 65 -9.385 20.546 1.253 1.00 26.16 C +ATOM 376 OG SER E 65 -8.002 20.232 1.079 1.00 27.52 O +ATOM 377 N GLY E 66 -8.639 21.738 4.372 1.00 25.24 N +ATOM 378 CA GLY E 66 -8.272 21.350 5.735 1.00 24.91 C +ATOM 379 C GLY E 66 -7.895 19.860 5.844 1.00 23.85 C +ATOM 380 O GLY E 66 -8.066 19.172 6.849 1.00 25.29 O +ATOM 381 N ASN E 67 -7.285 19.387 4.775 1.00 23.65 N +ATOM 382 CA ASN E 67 -6.926 18.004 4.586 1.00 20.68 C +ATOM 383 C ASN E 67 -5.400 17.956 4.707 1.00 21.62 C +ATOM 384 O ASN E 67 -4.705 18.928 4.364 1.00 25.12 O +ATOM 385 CB ASN E 67 -7.401 17.597 3.200 1.00 20.68 C +ATOM 386 CG ASN E 67 -8.205 16.320 3.218 1.00 23.92 C +ATOM 387 OD1 ASN E 67 -7.955 15.398 3.985 1.00 27.30 O +ATOM 388 ND2 ASN E 67 -9.221 16.190 2.386 1.00 26.90 N +ATOM 389 N HIS E 68 -4.799 16.873 5.184 1.00 19.54 N +ATOM 390 CA HIS E 68 -3.366 16.811 5.377 1.00 17.03 C +ATOM 391 C HIS E 68 -2.714 15.962 4.295 1.00 19.45 C +ATOM 392 O HIS E 68 -3.268 14.949 3.862 1.00 22.00 O +ATOM 393 CB HIS E 68 -3.065 16.214 6.719 1.00 15.42 C +ATOM 394 CG HIS E 68 -3.233 17.132 7.920 1.00 10.55 C +ATOM 395 ND1 HIS E 68 -2.363 18.039 8.382 1.00 7.52 N +ATOM 396 CD2 HIS E 68 -4.333 17.107 8.720 1.00 2.00 C +ATOM 397 CE1 HIS E 68 -2.873 18.578 9.429 1.00 2.00 C +ATOM 398 NE2 HIS E 68 -4.037 18.010 9.603 1.00 5.76 N +ATOM 399 N TYR E 69 -1.492 16.335 3.912 1.00 18.73 N +ATOM 400 CA TYR E 69 -0.750 15.743 2.820 1.00 13.93 C +ATOM 401 C TYR E 69 0.752 15.678 3.161 1.00 13.72 C +ATOM 402 O TYR E 69 1.244 16.339 4.068 1.00 14.80 O +ATOM 403 CB TYR E 69 -0.985 16.629 1.579 1.00 13.19 C +ATOM 404 CG TYR E 69 -2.384 16.693 0.958 1.00 8.11 C +ATOM 405 CD1 TYR E 69 -2.986 15.533 0.570 1.00 9.12 C +ATOM 406 CD2 TYR E 69 -3.051 17.886 0.792 1.00 8.42 C +ATOM 407 CE1 TYR E 69 -4.244 15.553 0.032 1.00 9.28 C +ATOM 408 CE2 TYR E 69 -4.316 17.928 0.245 1.00 6.15 C +ATOM 409 CZ TYR E 69 -4.897 16.745 -0.120 1.00 9.54 C +ATOM 410 OH TYR E 69 -6.193 16.699 -0.577 1.00 12.79 O +ATOM 411 N ALA E 70 1.547 14.887 2.473 1.00 13.89 N +ATOM 412 CA ALA E 70 3.001 14.880 2.551 1.00 9.93 C +ATOM 413 C ALA E 70 3.470 15.605 1.265 1.00 10.13 C +ATOM 414 O ALA E 70 2.964 15.351 0.162 1.00 7.62 O +ATOM 415 CB ALA E 70 3.498 13.447 2.526 1.00 2.98 C +ATOM 416 N MET E 71 4.391 16.549 1.393 1.00 8.24 N +ATOM 417 CA MET E 71 4.971 17.263 0.290 1.00 9.13 C +ATOM 418 C MET E 71 6.434 16.864 0.181 1.00 10.21 C +ATOM 419 O MET E 71 7.145 16.904 1.194 1.00 11.87 O +ATOM 420 CB MET E 71 4.848 18.714 0.567 1.00 12.35 C +ATOM 421 CG MET E 71 5.407 19.628 -0.498 1.00 15.46 C +ATOM 422 SD MET E 71 5.026 21.364 -0.107 1.00 20.82 S +ATOM 423 CE MET E 71 3.501 21.313 -0.992 1.00 17.63 C +ATOM 424 N LYS E 72 6.938 16.501 -0.996 1.00 7.38 N +ATOM 425 CA LYS E 72 8.298 16.083 -1.137 1.00 7.41 C +ATOM 426 C LYS E 72 8.972 17.225 -1.806 1.00 7.57 C +ATOM 427 O LYS E 72 8.781 17.396 -3.000 1.00 11.76 O +ATOM 428 CB LYS E 72 8.340 14.857 -1.985 1.00 7.61 C +ATOM 429 CG LYS E 72 9.742 14.306 -2.191 1.00 7.21 C +ATOM 430 CD LYS E 72 9.605 12.951 -2.811 1.00 6.40 C +ATOM 431 CE LYS E 72 10.920 12.246 -2.771 1.00 8.16 C +ATOM 432 NZ LYS E 72 11.368 11.986 -4.108 1.00 13.10 N +ATOM 433 N ILE E 73 9.652 18.073 -1.074 1.00 8.89 N +ATOM 434 CA ILE E 73 10.374 19.182 -1.663 1.00 8.74 C +ATOM 435 C ILE E 73 11.689 18.659 -2.223 1.00 11.81 C +ATOM 436 O ILE E 73 12.350 17.877 -1.536 1.00 12.42 O +ATOM 437 CB ILE E 73 10.674 20.213 -0.619 1.00 6.48 C +ATOM 438 CG1 ILE E 73 9.402 20.635 0.011 1.00 9.95 C +ATOM 439 CG2 ILE E 73 11.254 21.455 -1.222 1.00 9.36 C +ATOM 440 CD1 ILE E 73 9.711 21.080 1.450 1.00 16.94 C +ATOM 441 N LEU E 74 12.071 19.073 -3.457 1.00 13.82 N +ATOM 442 CA LEU E 74 13.345 18.794 -4.141 1.00 8.59 C +ATOM 443 C LEU E 74 13.985 20.106 -4.582 1.00 9.72 C +ATOM 444 O LEU E 74 13.372 20.956 -5.237 1.00 10.30 O +ATOM 445 CB LEU E 74 13.198 18.008 -5.417 1.00 8.92 C +ATOM 446 CG LEU E 74 12.870 16.534 -5.513 1.00 7.19 C +ATOM 447 CD1 LEU E 74 13.798 15.797 -4.585 1.00 4.56 C +ATOM 448 CD2 LEU E 74 11.398 16.311 -5.251 1.00 8.36 C +ATOM 449 N ASP E 75 15.253 20.309 -4.301 1.00 12.67 N +ATOM 450 CA ASP E 75 15.918 21.574 -4.610 1.00 15.25 C +ATOM 451 C ASP E 75 16.456 21.467 -6.009 1.00 14.37 C +ATOM 452 O ASP E 75 17.367 20.664 -6.189 1.00 17.22 O +ATOM 453 CB ASP E 75 17.086 21.820 -3.628 1.00 16.93 C +ATOM 454 CG ASP E 75 17.940 23.048 -3.920 1.00 17.35 C +ATOM 455 OD1 ASP E 75 18.851 22.936 -4.717 1.00 19.48 O +ATOM 456 OD2 ASP E 75 17.706 24.112 -3.351 1.00 21.53 O +ATOM 457 N LYS E 76 16.081 22.267 -6.981 1.00 12.60 N +ATOM 458 CA LYS E 76 16.545 22.026 -8.331 1.00 12.16 C +ATOM 459 C LYS E 76 18.059 22.015 -8.517 1.00 14.65 C +ATOM 460 O LYS E 76 18.571 21.140 -9.221 1.00 18.90 O +ATOM 461 CB LYS E 76 15.909 23.058 -9.263 1.00 12.89 C +ATOM 462 CG LYS E 76 14.404 22.881 -9.295 1.00 14.41 C +ATOM 463 CD LYS E 76 13.730 23.743 -10.321 1.00 12.48 C +ATOM 464 CE LYS E 76 13.602 25.108 -9.757 1.00 12.26 C +ATOM 465 NZ LYS E 76 13.212 26.046 -10.788 1.00 11.41 N +ATOM 466 N GLN E 77 18.870 22.856 -7.868 1.00 16.48 N +ATOM 467 CA GLN E 77 20.317 22.847 -8.118 1.00 16.94 C +ATOM 468 C GLN E 77 20.990 21.641 -7.459 1.00 17.04 C +ATOM 469 O GLN E 77 21.891 21.097 -8.096 1.00 22.90 O +ATOM 470 CB GLN E 77 20.982 24.102 -7.591 1.00 19.44 C +ATOM 471 CG GLN E 77 20.237 25.359 -7.965 1.00 24.32 C +ATOM 472 CD GLN E 77 20.902 26.645 -7.508 1.00 26.46 C +ATOM 473 OE1 GLN E 77 22.004 26.937 -7.932 1.00 25.96 O +ATOM 474 NE2 GLN E 77 20.283 27.486 -6.684 1.00 27.24 N +ATOM 475 N LYS E 78 20.561 21.161 -6.262 1.00 12.66 N +ATOM 476 CA LYS E 78 21.064 19.983 -5.554 1.00 7.85 C +ATOM 477 C LYS E 78 20.701 18.822 -6.450 1.00 9.25 C +ATOM 478 O LYS E 78 21.544 17.966 -6.710 1.00 12.34 O +ATOM 479 CB LYS E 78 20.376 19.860 -4.179 1.00 9.29 C +ATOM 480 CG LYS E 78 20.649 18.735 -3.162 1.00 7.16 C +ATOM 481 N VAL E 79 19.501 18.787 -7.022 1.00 9.51 N +ATOM 482 CA VAL E 79 19.132 17.777 -8.013 1.00 9.17 C +ATOM 483 C VAL E 79 20.065 17.827 -9.234 1.00 11.03 C +ATOM 484 O VAL E 79 20.500 16.782 -9.726 1.00 14.04 O +ATOM 485 CB VAL E 79 17.675 17.995 -8.454 1.00 5.64 C +ATOM 486 CG1 VAL E 79 17.296 17.138 -9.650 1.00 9.20 C +ATOM 487 CG2 VAL E 79 16.771 17.521 -7.354 1.00 2.00 C +ATOM 488 N VAL E 80 20.426 18.958 -9.797 1.00 10.22 N +ATOM 489 CA VAL E 80 21.321 18.949 -10.929 1.00 11.44 C +ATOM 490 C VAL E 80 22.721 18.543 -10.459 1.00 13.22 C +ATOM 491 O VAL E 80 23.430 17.828 -11.165 1.00 11.89 O +ATOM 492 CB VAL E 80 21.258 20.353 -11.528 1.00 16.39 C +ATOM 493 CG1 VAL E 80 22.351 20.520 -12.565 1.00 16.50 C +ATOM 494 CG2 VAL E 80 19.881 20.596 -12.149 1.00 13.22 C +ATOM 495 N LYS E 81 23.151 18.879 -9.242 1.00 16.09 N +ATOM 496 CA LYS E 81 24.514 18.539 -8.813 1.00 18.55 C +ATOM 497 C LYS E 81 24.647 17.079 -8.698 1.00 15.61 C +ATOM 498 O LYS E 81 25.469 16.509 -9.375 1.00 19.72 O +ATOM 499 CB LYS E 81 24.919 19.067 -7.472 1.00 20.04 C +ATOM 500 CG LYS E 81 25.140 20.539 -7.689 1.00 21.27 C +ATOM 501 CD LYS E 81 25.128 21.020 -6.290 1.00 27.90 C +ATOM 502 CE LYS E 81 25.373 22.502 -6.274 1.00 31.52 C +ATOM 503 NZ LYS E 81 25.393 22.870 -4.872 1.00 38.15 N +ATOM 504 N LEU E 82 23.743 16.427 -8.013 1.00 14.33 N +ATOM 505 CA LEU E 82 23.824 14.998 -7.871 1.00 8.41 C +ATOM 506 C LEU E 82 23.477 14.208 -9.122 1.00 8.67 C +ATOM 507 O LEU E 82 23.453 12.988 -9.027 1.00 6.53 O +ATOM 508 CB LEU E 82 22.947 14.702 -6.686 1.00 7.71 C +ATOM 509 CG LEU E 82 23.341 15.496 -5.438 1.00 9.84 C +ATOM 510 CD1 LEU E 82 22.378 15.328 -4.290 1.00 11.60 C +ATOM 511 CD2 LEU E 82 24.699 15.014 -5.039 1.00 11.11 C +ATOM 512 N LYS E 83 23.282 14.838 -10.301 1.00 13.14 N +ATOM 513 CA LYS E 83 22.958 14.234 -11.609 1.00 17.55 C +ATOM 514 C LYS E 83 21.598 13.569 -11.639 1.00 19.90 C +ATOM 515 O LYS E 83 21.296 12.638 -12.409 1.00 26.09 O +ATOM 516 CB LYS E 83 23.980 13.155 -12.070 1.00 16.18 C +ATOM 517 CG LYS E 83 25.386 13.628 -12.476 1.00 20.49 C +ATOM 518 N GLN E 84 20.679 14.099 -10.840 1.00 16.39 N +ATOM 519 CA GLN E 84 19.430 13.428 -10.736 1.00 10.00 C +ATOM 520 C GLN E 84 18.382 13.993 -11.608 1.00 8.27 C +ATOM 521 O GLN E 84 17.230 13.585 -11.451 1.00 10.58 O +ATOM 522 CB GLN E 84 18.984 13.446 -9.301 1.00 10.85 C +ATOM 523 CG GLN E 84 19.859 12.657 -8.370 1.00 7.15 C +ATOM 524 CD GLN E 84 20.225 11.275 -8.881 1.00 15.09 C +ATOM 525 OE1 GLN E 84 19.481 10.285 -8.925 1.00 17.54 O +ATOM 526 NE2 GLN E 84 21.442 11.169 -9.360 1.00 20.92 N +ATOM 527 N ILE E 85 18.740 14.776 -12.617 1.00 8.82 N +ATOM 528 CA ILE E 85 17.707 15.473 -13.382 1.00 7.73 C +ATOM 529 C ILE E 85 16.809 14.483 -14.055 1.00 10.10 C +ATOM 530 O ILE E 85 15.604 14.548 -13.804 1.00 13.42 O +ATOM 531 CB ILE E 85 18.227 16.369 -14.488 1.00 5.75 C +ATOM 532 CG1 ILE E 85 19.266 17.350 -13.986 1.00 6.82 C +ATOM 533 CG2 ILE E 85 17.037 17.157 -15.021 1.00 3.55 C +ATOM 534 CD1 ILE E 85 19.991 18.241 -14.991 1.00 2.00 C +ATOM 535 N GLU E 86 17.329 13.494 -14.788 1.00 10.70 N +ATOM 536 CA GLU E 86 16.377 12.601 -15.420 1.00 11.22 C +ATOM 537 C GLU E 86 15.722 11.671 -14.397 1.00 10.46 C +ATOM 538 O GLU E 86 14.576 11.293 -14.617 1.00 14.65 O +ATOM 539 CB GLU E 86 17.060 11.801 -16.533 1.00 11.61 C +ATOM 540 CG GLU E 86 16.112 11.077 -17.547 1.00 18.87 C +ATOM 541 CD GLU E 86 15.274 11.857 -18.605 1.00 20.07 C +ATOM 542 OE1 GLU E 86 15.844 12.646 -19.386 1.00 19.73 O +ATOM 543 OE2 GLU E 86 14.050 11.634 -18.666 1.00 18.30 O +ATOM 544 N HIS E 87 16.203 11.262 -13.215 1.00 11.13 N +ATOM 545 CA HIS E 87 15.349 10.386 -12.407 1.00 9.87 C +ATOM 546 C HIS E 87 14.230 11.242 -11.786 1.00 10.53 C +ATOM 547 O HIS E 87 13.152 10.698 -11.589 1.00 12.26 O +ATOM 548 CB HIS E 87 16.140 9.687 -11.305 1.00 10.30 C +ATOM 549 CG HIS E 87 17.271 8.725 -11.713 1.00 6.68 C +ATOM 550 ND1 HIS E 87 18.412 8.524 -11.057 1.00 3.31 N +ATOM 551 CD2 HIS E 87 17.283 7.918 -12.818 1.00 2.63 C +ATOM 552 CE1 HIS E 87 19.112 7.642 -11.714 1.00 3.54 C +ATOM 553 NE2 HIS E 87 18.417 7.294 -12.764 1.00 2.00 N +ATOM 554 N THR E 88 14.321 12.570 -11.566 1.00 9.06 N +ATOM 555 CA THR E 88 13.223 13.332 -10.964 1.00 6.51 C +ATOM 556 C THR E 88 11.962 13.444 -11.840 1.00 9.09 C +ATOM 557 O THR E 88 10.803 13.414 -11.358 1.00 8.14 O +ATOM 558 CB THR E 88 13.778 14.683 -10.615 1.00 3.27 C +ATOM 559 OG1 THR E 88 14.854 14.404 -9.756 1.00 4.27 O +ATOM 560 CG2 THR E 88 12.900 15.537 -9.792 1.00 3.20 C +ATOM 561 N LEU E 89 12.168 13.505 -13.173 1.00 9.00 N +ATOM 562 CA LEU E 89 11.058 13.552 -14.121 1.00 6.04 C +ATOM 563 C LEU E 89 10.513 12.151 -14.248 1.00 6.71 C +ATOM 564 O LEU E 89 9.312 11.996 -14.201 1.00 9.26 O +ATOM 565 CB LEU E 89 11.568 14.064 -15.409 1.00 6.62 C +ATOM 566 CG LEU E 89 12.278 15.413 -15.308 1.00 5.19 C +ATOM 567 CD1 LEU E 89 13.191 15.477 -16.474 1.00 7.17 C +ATOM 568 CD2 LEU E 89 11.335 16.602 -15.286 1.00 2.00 C +ATOM 569 N ASN E 90 11.265 11.069 -14.326 1.00 7.66 N +ATOM 570 CA ASN E 90 10.674 9.736 -14.275 1.00 7.78 C +ATOM 571 C ASN E 90 9.875 9.573 -13.013 1.00 5.64 C +ATOM 572 O ASN E 90 8.791 9.034 -13.080 1.00 10.82 O +ATOM 573 CB ASN E 90 11.669 8.583 -14.239 1.00 11.23 C +ATOM 574 CG ASN E 90 12.526 8.375 -15.478 1.00 12.52 C +ATOM 575 OD1 ASN E 90 12.228 8.828 -16.577 1.00 18.56 O +ATOM 576 ND2 ASN E 90 13.637 7.675 -15.341 1.00 13.27 N +ATOM 577 N GLU E 91 10.259 10.066 -11.864 1.00 7.59 N +ATOM 578 CA GLU E 91 9.474 9.919 -10.649 1.00 8.25 C +ATOM 579 C GLU E 91 8.107 10.586 -10.730 1.00 10.07 C +ATOM 580 O GLU E 91 7.059 9.984 -10.418 1.00 8.68 O +ATOM 581 CB GLU E 91 10.243 10.520 -9.509 1.00 8.02 C +ATOM 582 CG GLU E 91 9.437 10.286 -8.251 1.00 8.65 C +ATOM 583 CD GLU E 91 10.050 10.770 -6.977 1.00 7.65 C +ATOM 584 OE1 GLU E 91 11.034 11.503 -7.079 1.00 2.07 O +ATOM 585 OE2 GLU E 91 9.528 10.390 -5.914 1.00 13.33 O +ATOM 586 N LYS E 92 8.140 11.856 -11.150 1.00 11.50 N +ATOM 587 CA LYS E 92 6.915 12.609 -11.307 1.00 11.85 C +ATOM 588 C LYS E 92 6.036 11.975 -12.346 1.00 10.46 C +ATOM 589 O LYS E 92 4.849 11.793 -12.137 1.00 16.46 O +ATOM 590 CB LYS E 92 7.139 13.996 -11.766 1.00 10.70 C +ATOM 591 CG LYS E 92 5.830 14.652 -11.433 1.00 14.49 C +ATOM 592 CD LYS E 92 5.622 15.915 -12.228 1.00 21.56 C +ATOM 593 CE LYS E 92 5.128 15.514 -13.611 1.00 23.55 C +ATOM 594 NZ LYS E 92 4.863 16.706 -14.389 1.00 23.34 N +ATOM 595 N ARG E 93 6.587 11.568 -13.453 1.00 11.62 N +ATOM 596 CA ARG E 93 5.794 11.012 -14.519 1.00 12.85 C +ATOM 597 C ARG E 93 5.287 9.640 -14.153 1.00 13.47 C +ATOM 598 O ARG E 93 4.095 9.470 -14.443 1.00 17.44 O +ATOM 599 CB ARG E 93 6.624 10.968 -15.789 1.00 13.90 C +ATOM 600 CG ARG E 93 5.835 11.081 -17.067 1.00 8.99 C +ATOM 601 CD ARG E 93 6.878 11.003 -18.119 1.00 6.18 C +ATOM 602 NE ARG E 93 6.200 10.758 -19.364 1.00 9.90 N +ATOM 603 CZ ARG E 93 6.849 10.554 -20.515 1.00 9.59 C +ATOM 604 NH1 ARG E 93 8.184 10.545 -20.646 1.00 11.16 N +ATOM 605 NH2 ARG E 93 6.108 10.432 -21.589 1.00 8.36 N +ATOM 606 N ILE E 94 6.003 8.649 -13.579 1.00 10.30 N +ATOM 607 CA ILE E 94 5.299 7.435 -13.133 1.00 10.53 C +ATOM 608 C ILE E 94 4.323 7.792 -12.005 1.00 13.45 C +ATOM 609 O ILE E 94 3.214 7.256 -12.030 1.00 16.34 O +ATOM 610 CB ILE E 94 6.197 6.310 -12.558 1.00 9.75 C +ATOM 611 CG1 ILE E 94 7.084 5.644 -13.595 1.00 11.45 C +ATOM 612 CG2 ILE E 94 5.309 5.186 -12.047 1.00 11.09 C +ATOM 613 CD1 ILE E 94 8.506 6.195 -13.813 1.00 4.77 C +ATOM 614 N LEU E 95 4.551 8.675 -11.023 1.00 14.40 N +ATOM 615 CA LEU E 95 3.548 8.852 -9.977 1.00 14.96 C +ATOM 616 C LEU E 95 2.222 9.405 -10.449 1.00 16.83 C +ATOM 617 O LEU E 95 1.158 8.926 -10.057 1.00 19.17 O +ATOM 618 CB LEU E 95 4.063 9.756 -8.917 1.00 13.24 C +ATOM 619 CG LEU E 95 4.887 9.050 -7.937 1.00 10.20 C +ATOM 620 CD1 LEU E 95 5.862 10.059 -7.421 1.00 14.39 C +ATOM 621 CD2 LEU E 95 4.026 8.377 -6.898 1.00 9.01 C +ATOM 622 N GLN E 96 2.263 10.395 -11.331 1.00 15.93 N +ATOM 623 CA GLN E 96 1.021 10.940 -11.801 1.00 14.82 C +ATOM 624 C GLN E 96 0.289 9.932 -12.641 1.00 16.77 C +ATOM 625 O GLN E 96 -0.912 10.021 -12.786 1.00 22.59 O +ATOM 626 CB GLN E 96 1.310 12.208 -12.571 1.00 14.32 C +ATOM 627 CG GLN E 96 2.332 12.144 -13.694 1.00 20.55 C +ATOM 628 CD GLN E 96 1.722 11.711 -15.006 1.00 24.35 C +ATOM 629 OE1 GLN E 96 0.633 12.195 -15.297 1.00 23.05 O +ATOM 630 NE2 GLN E 96 2.281 10.860 -15.864 1.00 24.58 N +ATOM 631 N ALA E 97 0.953 8.922 -13.170 1.00 18.22 N +ATOM 632 CA ALA E 97 0.315 7.992 -14.075 1.00 16.51 C +ATOM 633 C ALA E 97 -0.095 6.696 -13.424 1.00 14.75 C +ATOM 634 O ALA E 97 -0.810 5.935 -14.062 1.00 15.59 O +ATOM 635 CB ALA E 97 1.266 7.659 -15.231 1.00 17.62 C +ATOM 636 N VAL E 98 0.323 6.347 -12.218 1.00 13.87 N +ATOM 637 CA VAL E 98 -0.051 5.037 -11.712 1.00 13.44 C +ATOM 638 C VAL E 98 -1.252 5.072 -10.787 1.00 14.90 C +ATOM 639 O VAL E 98 -1.689 6.113 -10.294 1.00 16.48 O +ATOM 640 CB VAL E 98 1.086 4.333 -10.932 1.00 13.64 C +ATOM 641 CG1 VAL E 98 2.024 3.718 -11.947 1.00 7.14 C +ATOM 642 CG2 VAL E 98 1.726 5.300 -9.912 1.00 9.10 C +ATOM 643 N ASN E 99 -1.805 3.893 -10.521 1.00 16.00 N +ATOM 644 CA ASN E 99 -2.880 3.747 -9.564 1.00 16.37 C +ATOM 645 C ASN E 99 -2.987 2.255 -9.193 1.00 15.09 C +ATOM 646 O ASN E 99 -3.230 1.355 -10.013 1.00 15.86 O +ATOM 647 CB ASN E 99 -4.124 4.318 -10.230 1.00 21.40 C +ATOM 648 CG ASN E 99 -5.418 4.128 -9.472 1.00 28.91 C +ATOM 649 OD1 ASN E 99 -5.667 4.659 -8.394 1.00 35.38 O +ATOM 650 ND2 ASN E 99 -6.309 3.321 -10.014 1.00 34.98 N +ATOM 651 N PHE E 100 -2.660 1.963 -7.934 1.00 12.56 N +ATOM 652 CA PHE E 100 -2.778 0.633 -7.377 1.00 10.58 C +ATOM 653 C PHE E 100 -3.074 0.806 -5.880 1.00 11.55 C +ATOM 654 O PHE E 100 -2.778 1.862 -5.317 1.00 15.45 O +ATOM 655 CB PHE E 100 -1.478 -0.121 -7.594 1.00 10.51 C +ATOM 656 CG PHE E 100 -1.580 -1.636 -7.467 1.00 7.19 C +ATOM 657 CD1 PHE E 100 -2.340 -2.353 -8.358 1.00 7.97 C +ATOM 658 CD2 PHE E 100 -0.936 -2.271 -6.437 1.00 5.99 C +ATOM 659 CE1 PHE E 100 -2.456 -3.713 -8.201 1.00 8.21 C +ATOM 660 CE2 PHE E 100 -1.062 -3.639 -6.295 1.00 9.83 C +ATOM 661 CZ PHE E 100 -1.822 -4.364 -7.173 1.00 8.32 C +ATOM 662 N PRO E 101 -3.700 -0.131 -5.168 1.00 10.92 N +ATOM 663 CA PRO E 101 -3.903 -0.024 -3.718 1.00 11.60 C +ATOM 664 C PRO E 101 -2.730 0.113 -2.734 1.00 10.60 C +ATOM 665 O PRO E 101 -2.923 0.583 -1.618 1.00 9.74 O +ATOM 666 CB PRO E 101 -4.774 -1.238 -3.378 1.00 11.25 C +ATOM 667 CG PRO E 101 -5.182 -1.909 -4.673 1.00 9.10 C +ATOM 668 CD PRO E 101 -4.746 -0.975 -5.760 1.00 13.33 C +ATOM 669 N PHE E 102 -1.531 -0.356 -3.061 1.00 8.30 N +ATOM 670 CA PHE E 102 -0.425 -0.296 -2.158 1.00 4.39 C +ATOM 671 C PHE E 102 0.581 0.698 -2.760 1.00 8.31 C +ATOM 672 O PHE E 102 1.799 0.470 -2.644 1.00 11.71 O +ATOM 673 CB PHE E 102 0.145 -1.691 -2.061 1.00 4.65 C +ATOM 674 CG PHE E 102 -0.870 -2.814 -1.874 1.00 8.38 C +ATOM 675 CD1 PHE E 102 -1.896 -2.719 -0.959 1.00 10.09 C +ATOM 676 CD2 PHE E 102 -0.772 -3.946 -2.660 1.00 10.40 C +ATOM 677 CE1 PHE E 102 -2.813 -3.729 -0.837 1.00 4.16 C +ATOM 678 CE2 PHE E 102 -1.696 -4.960 -2.533 1.00 8.43 C +ATOM 679 CZ PHE E 102 -2.716 -4.843 -1.620 1.00 7.74 C +ATOM 680 N LEU E 103 0.224 1.814 -3.428 1.00 2.00 N +ATOM 681 CA LEU E 103 1.228 2.725 -3.939 1.00 2.00 C +ATOM 682 C LEU E 103 0.766 4.057 -3.527 1.00 3.43 C +ATOM 683 O LEU E 103 -0.400 4.235 -3.794 1.00 10.58 O +ATOM 684 CB LEU E 103 1.308 2.799 -5.441 1.00 3.84 C +ATOM 685 CG LEU E 103 1.784 1.592 -6.200 1.00 2.00 C +ATOM 686 CD1 LEU E 103 1.973 1.859 -7.656 1.00 2.00 C +ATOM 687 CD2 LEU E 103 3.103 1.255 -5.664 1.00 2.00 C +ATOM 688 N VAL E 104 1.495 5.042 -2.991 1.00 7.29 N +ATOM 689 CA VAL E 104 0.854 6.291 -2.597 1.00 7.65 C +ATOM 690 C VAL E 104 0.485 7.096 -3.792 1.00 9.27 C +ATOM 691 O VAL E 104 1.087 7.110 -4.862 1.00 10.99 O +ATOM 692 CB VAL E 104 1.697 7.215 -1.766 1.00 8.76 C +ATOM 693 CG1 VAL E 104 1.955 6.572 -0.445 1.00 10.30 C +ATOM 694 CG2 VAL E 104 2.958 7.552 -2.498 1.00 12.89 C +ATOM 695 N LYS E 105 -0.531 7.844 -3.488 1.00 11.08 N +ATOM 696 CA LYS E 105 -1.150 8.607 -4.529 1.00 15.75 C +ATOM 697 C LYS E 105 -0.479 9.939 -4.564 1.00 15.48 C +ATOM 698 O LYS E 105 -0.349 10.511 -3.495 1.00 17.79 O +ATOM 699 CB LYS E 105 -2.662 8.827 -4.261 1.00 19.99 C +ATOM 700 CG LYS E 105 -3.510 7.700 -3.610 1.00 23.75 C +ATOM 701 N LEU E 106 -0.125 10.458 -5.728 1.00 15.93 N +ATOM 702 CA LEU E 106 0.456 11.778 -5.872 1.00 15.76 C +ATOM 703 C LEU E 106 -0.762 12.605 -6.150 1.00 19.02 C +ATOM 704 O LEU E 106 -1.479 12.272 -7.089 1.00 24.44 O +ATOM 705 CB LEU E 106 1.375 11.875 -7.079 1.00 13.71 C +ATOM 706 CG LEU E 106 1.871 13.206 -7.567 1.00 5.83 C +ATOM 707 CD1 LEU E 106 2.893 13.732 -6.617 1.00 9.03 C +ATOM 708 CD2 LEU E 106 2.539 13.048 -8.892 1.00 7.20 C +ATOM 709 N GLU E 107 -0.992 13.682 -5.417 1.00 18.42 N +ATOM 710 CA GLU E 107 -2.179 14.476 -5.574 1.00 16.37 C +ATOM 711 C GLU E 107 -1.883 15.720 -6.364 1.00 15.95 C +ATOM 712 O GLU E 107 -2.678 16.057 -7.223 1.00 16.65 O +ATOM 713 CB GLU E 107 -2.661 14.811 -4.189 1.00 22.69 C +ATOM 714 CG GLU E 107 -4.073 15.316 -4.069 1.00 31.69 C +ATOM 715 CD GLU E 107 -5.177 14.303 -4.336 1.00 38.96 C +ATOM 716 OE1 GLU E 107 -5.004 13.136 -3.957 1.00 40.02 O +ATOM 717 OE2 GLU E 107 -6.216 14.706 -4.896 1.00 42.66 O +ATOM 718 N PHE E 108 -0.816 16.475 -6.111 1.00 12.70 N +ATOM 719 CA PHE E 108 -0.562 17.719 -6.818 1.00 10.99 C +ATOM 720 C PHE E 108 0.906 17.744 -7.069 1.00 11.36 C +ATOM 721 O PHE E 108 1.613 17.221 -6.225 1.00 12.35 O +ATOM 722 CB PHE E 108 -0.779 18.933 -6.020 1.00 11.90 C +ATOM 723 CG PHE E 108 -2.094 18.887 -5.287 1.00 17.84 C +ATOM 724 CD1 PHE E 108 -3.282 18.974 -5.987 1.00 21.98 C +ATOM 725 CD2 PHE E 108 -2.105 18.793 -3.908 1.00 20.80 C +ATOM 726 CE1 PHE E 108 -4.480 18.971 -5.300 1.00 24.86 C +ATOM 727 CE2 PHE E 108 -3.301 18.790 -3.218 1.00 20.78 C +ATOM 728 CZ PHE E 108 -4.487 18.879 -3.914 1.00 25.65 C +ATOM 729 N SER E 109 1.403 18.291 -8.157 1.00 9.56 N +ATOM 730 CA SER E 109 2.825 18.477 -8.360 1.00 9.84 C +ATOM 731 C SER E 109 2.884 19.909 -8.856 1.00 11.60 C +ATOM 732 O SER E 109 1.983 20.351 -9.583 1.00 14.68 O +ATOM 733 CB SER E 109 3.353 17.563 -9.453 1.00 7.38 C +ATOM 734 OG SER E 109 2.421 17.486 -10.543 1.00 10.74 O +ATOM 735 N PHE E 110 3.891 20.667 -8.505 1.00 10.86 N +ATOM 736 CA PHE E 110 4.095 21.998 -9.029 1.00 13.39 C +ATOM 737 C PHE E 110 5.552 22.371 -8.805 1.00 16.58 C +ATOM 738 O PHE E 110 6.286 21.622 -8.137 1.00 15.86 O +ATOM 739 CB PHE E 110 3.209 22.991 -8.317 1.00 14.08 C +ATOM 740 CG PHE E 110 3.356 23.088 -6.808 1.00 11.78 C +ATOM 741 CD1 PHE E 110 2.695 22.168 -5.994 1.00 16.35 C +ATOM 742 CD2 PHE E 110 4.149 24.072 -6.251 1.00 10.86 C +ATOM 743 CE1 PHE E 110 2.830 22.230 -4.608 1.00 12.89 C +ATOM 744 CE2 PHE E 110 4.277 24.123 -4.874 1.00 13.18 C +ATOM 745 CZ PHE E 110 3.625 23.212 -4.054 1.00 11.92 C +ATOM 746 N LYS E 111 6.026 23.502 -9.292 1.00 18.36 N +ATOM 747 CA LYS E 111 7.435 23.842 -9.103 1.00 21.88 C +ATOM 748 C LYS E 111 7.486 25.327 -8.794 1.00 26.42 C +ATOM 749 O LYS E 111 6.418 25.972 -8.661 1.00 30.08 O +ATOM 750 CB LYS E 111 8.280 23.536 -10.384 1.00 22.03 C +ATOM 751 CG LYS E 111 7.587 23.714 -11.772 1.00 24.84 C +ATOM 752 CD LYS E 111 8.471 23.699 -13.057 1.00 22.15 C +ATOM 753 CE LYS E 111 7.547 23.806 -14.263 1.00 18.27 C +ATOM 754 NZ LYS E 111 8.277 23.991 -15.493 1.00 20.23 N +ATOM 755 N ASP E 112 8.716 25.862 -8.611 1.00 27.91 N +ATOM 756 CA ASP E 112 8.947 27.294 -8.420 1.00 26.35 C +ATOM 757 C ASP E 112 10.382 27.705 -8.671 1.00 24.34 C +ATOM 758 O ASP E 112 11.166 26.903 -9.142 1.00 28.58 O +ATOM 759 CB ASP E 112 8.545 27.754 -7.011 1.00 28.55 C +ATOM 760 CG ASP E 112 9.268 27.338 -5.734 1.00 31.94 C +ATOM 761 OD1 ASP E 112 10.429 26.915 -5.748 1.00 35.68 O +ATOM 762 OD2 ASP E 112 8.625 27.501 -4.689 1.00 29.75 O +ATOM 763 N ASN E 113 10.790 28.928 -8.381 1.00 22.07 N +ATOM 764 CA ASN E 113 12.131 29.382 -8.643 1.00 19.54 C +ATOM 765 C ASN E 113 13.119 28.483 -8.036 1.00 16.66 C +ATOM 766 O ASN E 113 14.065 28.205 -8.731 1.00 18.42 O +ATOM 767 CB ASN E 113 12.392 30.742 -8.085 1.00 25.61 C +ATOM 768 CG ASN E 113 12.026 31.896 -9.024 1.00 33.53 C +ATOM 769 OD1 ASN E 113 12.605 32.956 -8.888 1.00 37.70 O +ATOM 770 ND2 ASN E 113 11.174 31.892 -10.053 1.00 32.04 N +ATOM 771 N SER E 114 12.935 27.956 -6.843 1.00 14.05 N +ATOM 772 CA SER E 114 13.963 27.100 -6.335 1.00 14.98 C +ATOM 773 C SER E 114 13.732 25.630 -6.210 1.00 14.45 C +ATOM 774 O SER E 114 14.717 24.886 -6.318 1.00 17.95 O +ATOM 775 CB SER E 114 14.408 27.593 -4.997 1.00 13.92 C +ATOM 776 OG SER E 114 15.279 28.672 -5.259 1.00 13.25 O +ATOM 777 N ASN E 115 12.487 25.196 -6.145 1.00 10.59 N +ATOM 778 CA ASN E 115 12.249 23.824 -5.783 1.00 8.98 C +ATOM 779 C ASN E 115 11.257 23.214 -6.727 1.00 6.63 C +ATOM 780 O ASN E 115 10.666 23.926 -7.528 1.00 4.65 O +ATOM 781 CB ASN E 115 11.682 23.708 -4.385 1.00 10.88 C +ATOM 782 CG ASN E 115 12.489 24.448 -3.367 1.00 12.36 C +ATOM 783 OD1 ASN E 115 13.670 24.245 -3.143 1.00 16.13 O +ATOM 784 ND2 ASN E 115 11.899 25.410 -2.723 1.00 18.51 N +ATOM 785 N LEU E 116 11.089 21.915 -6.585 1.00 4.07 N +ATOM 786 CA LEU E 116 10.107 21.098 -7.265 1.00 5.26 C +ATOM 787 C LEU E 116 9.274 20.480 -6.136 1.00 5.04 C +ATOM 788 O LEU E 116 9.816 20.162 -5.063 1.00 5.26 O +ATOM 789 CB LEU E 116 10.717 19.929 -8.029 1.00 4.83 C +ATOM 790 CG LEU E 116 11.726 20.256 -9.058 1.00 5.63 C +ATOM 791 CD1 LEU E 116 12.629 19.058 -9.346 1.00 2.00 C +ATOM 792 CD2 LEU E 116 10.939 20.843 -10.218 1.00 3.39 C +ATOM 793 N TYR E 117 7.975 20.262 -6.299 1.00 4.51 N +ATOM 794 CA TYR E 117 7.184 19.743 -5.233 1.00 2.00 C +ATOM 795 C TYR E 117 6.278 18.648 -5.703 1.00 5.84 C +ATOM 796 O TYR E 117 5.666 18.665 -6.784 1.00 9.50 O +ATOM 797 CB TYR E 117 6.356 20.814 -4.688 1.00 2.00 C +ATOM 798 CG TYR E 117 7.112 22.033 -4.252 1.00 4.82 C +ATOM 799 CD1 TYR E 117 7.514 22.959 -5.181 1.00 9.55 C +ATOM 800 CD2 TYR E 117 7.338 22.246 -2.935 1.00 6.57 C +ATOM 801 CE1 TYR E 117 8.136 24.101 -4.799 1.00 5.90 C +ATOM 802 CE2 TYR E 117 7.959 23.399 -2.535 1.00 4.18 C +ATOM 803 CZ TYR E 117 8.342 24.280 -3.468 1.00 5.22 C +ATOM 804 OH TYR E 117 9.036 25.376 -3.062 1.00 10.09 O +ATOM 805 N MET E 118 6.148 17.641 -4.897 1.00 5.43 N +ATOM 806 CA MET E 118 5.176 16.636 -5.203 1.00 8.78 C +ATOM 807 C MET E 118 4.327 16.566 -3.938 1.00 12.29 C +ATOM 808 O MET E 118 4.958 16.527 -2.884 1.00 15.49 O +ATOM 809 CB MET E 118 5.904 15.377 -5.457 1.00 8.85 C +ATOM 810 CG MET E 118 6.746 15.408 -6.675 1.00 6.69 C +ATOM 811 SD MET E 118 7.263 13.715 -6.999 1.00 11.42 S +ATOM 812 CE MET E 118 8.923 14.273 -7.056 1.00 6.52 C +ATOM 813 N VAL E 119 2.986 16.602 -3.928 1.00 11.01 N +ATOM 814 CA VAL E 119 2.180 16.561 -2.725 1.00 9.54 C +ATOM 815 C VAL E 119 1.425 15.284 -2.956 1.00 11.78 C +ATOM 816 O VAL E 119 0.844 15.096 -4.038 1.00 14.25 O +ATOM 817 CB VAL E 119 1.073 17.649 -2.547 1.00 5.81 C +ATOM 818 CG1 VAL E 119 0.624 17.553 -1.099 1.00 2.00 C +ATOM 819 CG2 VAL E 119 1.526 19.049 -2.730 1.00 2.00 C +ATOM 820 N MET E 120 1.308 14.474 -1.921 1.00 10.88 N +ATOM 821 CA MET E 120 0.697 13.182 -2.043 1.00 11.06 C +ATOM 822 C MET E 120 0.097 12.802 -0.729 1.00 11.82 C +ATOM 823 O MET E 120 0.452 13.427 0.270 1.00 14.70 O +ATOM 824 CB MET E 120 1.750 12.206 -2.437 1.00 18.18 C +ATOM 825 CG MET E 120 2.965 12.043 -1.561 1.00 22.19 C +ATOM 826 SD MET E 120 4.145 11.337 -2.709 1.00 25.23 S +ATOM 827 CE MET E 120 5.391 12.580 -2.694 1.00 20.94 C +ATOM 828 N GLU E 121 -0.773 11.802 -0.682 1.00 10.74 N +ATOM 829 CA GLU E 121 -1.434 11.460 0.564 1.00 14.21 C +ATOM 830 C GLU E 121 -0.428 11.171 1.699 1.00 17.15 C +ATOM 831 O GLU E 121 0.659 10.585 1.461 1.00 19.04 O +ATOM 832 CB GLU E 121 -2.363 10.244 0.337 1.00 10.20 C +ATOM 833 N TYR E 122 -0.807 11.656 2.928 1.00 16.72 N +ATOM 834 CA TYR E 122 -0.039 11.466 4.167 1.00 11.97 C +ATOM 835 C TYR E 122 -0.456 10.114 4.687 1.00 13.80 C +ATOM 836 O TYR E 122 -1.655 9.814 4.739 1.00 18.86 O +ATOM 837 CB TYR E 122 -0.374 12.555 5.178 1.00 8.22 C +ATOM 838 CG TYR E 122 0.226 12.398 6.561 1.00 8.08 C +ATOM 839 CD1 TYR E 122 1.569 12.514 6.806 1.00 9.06 C +ATOM 840 CD2 TYR E 122 -0.616 12.105 7.606 1.00 12.50 C +ATOM 841 CE1 TYR E 122 2.050 12.325 8.081 1.00 8.81 C +ATOM 842 CE2 TYR E 122 -0.144 11.921 8.887 1.00 7.51 C +ATOM 843 CZ TYR E 122 1.179 12.031 9.087 1.00 8.28 C +ATOM 844 OH TYR E 122 1.638 11.787 10.325 1.00 14.72 O +ATOM 845 N VAL E 123 0.496 9.254 5.017 1.00 13.46 N +ATOM 846 CA VAL E 123 0.182 7.928 5.491 1.00 12.49 C +ATOM 847 C VAL E 123 0.803 7.981 6.868 1.00 14.75 C +ATOM 848 O VAL E 123 2.022 7.963 7.049 1.00 17.98 O +ATOM 849 CB VAL E 123 0.852 6.887 4.600 1.00 15.02 C +ATOM 850 CG1 VAL E 123 0.402 5.503 5.014 1.00 18.02 C +ATOM 851 CG2 VAL E 123 0.402 7.006 3.170 1.00 16.23 C +ATOM 852 N ALA E 124 -0.076 8.132 7.849 1.00 13.77 N +ATOM 853 CA ALA E 124 0.313 8.344 9.244 1.00 15.00 C +ATOM 854 C ALA E 124 1.034 7.265 10.025 1.00 14.82 C +ATOM 855 O ALA E 124 1.643 7.524 11.082 1.00 14.46 O +ATOM 856 CB ALA E 124 -0.891 8.659 10.077 1.00 15.50 C +ATOM 857 N GLY E 125 0.937 6.058 9.460 1.00 10.50 N +ATOM 858 CA GLY E 125 1.396 4.902 10.168 1.00 8.15 C +ATOM 859 C GLY E 125 2.878 4.897 10.427 1.00 9.08 C +ATOM 860 O GLY E 125 3.306 4.120 11.286 1.00 16.15 O +ATOM 861 N GLY E 126 3.694 5.708 9.780 1.00 5.93 N +ATOM 862 CA GLY E 126 5.118 5.593 9.961 1.00 8.66 C +ATOM 863 C GLY E 126 5.686 4.538 9.028 1.00 10.38 C +ATOM 864 O GLY E 126 4.957 3.734 8.440 1.00 12.81 O +ATOM 865 N GLU E 127 7.014 4.505 8.890 1.00 12.01 N +ATOM 866 CA GLU E 127 7.678 3.626 7.926 1.00 11.53 C +ATOM 867 C GLU E 127 7.680 2.196 8.458 1.00 14.39 C +ATOM 868 O GLU E 127 7.717 2.068 9.695 1.00 20.07 O +ATOM 869 CB GLU E 127 9.121 4.071 7.728 1.00 10.61 C +ATOM 870 CG GLU E 127 9.406 5.456 7.176 1.00 10.92 C +ATOM 871 CD GLU E 127 10.739 6.132 7.563 1.00 18.90 C +ATOM 872 OE1 GLU E 127 11.729 5.418 7.764 1.00 19.06 O +ATOM 873 OE2 GLU E 127 10.786 7.381 7.670 1.00 23.85 O +ATOM 874 N MET E 128 7.699 1.103 7.663 1.00 11.23 N +ATOM 875 CA MET E 128 7.853 -0.257 8.188 1.00 7.52 C +ATOM 876 C MET E 128 9.167 -0.340 8.952 1.00 9.20 C +ATOM 877 O MET E 128 9.329 -1.041 9.951 1.00 11.80 O +ATOM 878 CB MET E 128 7.929 -1.255 7.093 1.00 3.60 C +ATOM 879 CG MET E 128 8.288 -2.649 7.547 1.00 2.31 C +ATOM 880 SD MET E 128 8.300 -3.741 6.126 1.00 10.53 S +ATOM 881 CE MET E 128 6.916 -3.064 5.248 1.00 2.00 C +ATOM 882 N PHE E 129 10.141 0.399 8.477 1.00 7.60 N +ATOM 883 CA PHE E 129 11.392 0.525 9.145 1.00 6.10 C +ATOM 884 C PHE E 129 11.290 0.820 10.639 1.00 9.01 C +ATOM 885 O PHE E 129 11.896 0.091 11.410 1.00 12.01 O +ATOM 886 CB PHE E 129 12.109 1.611 8.490 1.00 4.14 C +ATOM 887 CG PHE E 129 13.513 1.639 8.984 1.00 4.74 C +ATOM 888 CD1 PHE E 129 14.397 0.734 8.446 1.00 5.80 C +ATOM 889 CD2 PHE E 129 13.899 2.591 9.913 1.00 3.42 C +ATOM 890 CE1 PHE E 129 15.713 0.770 8.822 1.00 6.02 C +ATOM 891 CE2 PHE E 129 15.226 2.626 10.295 1.00 3.32 C +ATOM 892 CZ PHE E 129 16.120 1.714 9.741 1.00 9.09 C +ATOM 893 N SER E 130 10.545 1.809 11.126 1.00 9.03 N +ATOM 894 CA SER E 130 10.561 2.141 12.536 1.00 10.60 C +ATOM 895 C SER E 130 10.061 0.990 13.378 1.00 12.26 C +ATOM 896 O SER E 130 10.652 0.579 14.390 1.00 15.78 O +ATOM 897 CB SER E 130 9.712 3.363 12.745 1.00 9.13 C +ATOM 898 OG SER E 130 10.436 4.526 12.328 1.00 16.68 O +ATOM 899 N HIS E 131 9.040 0.350 12.843 1.00 8.04 N +ATOM 900 CA HIS E 131 8.456 -0.724 13.568 1.00 6.02 C +ATOM 901 C HIS E 131 9.346 -1.966 13.494 1.00 8.63 C +ATOM 902 O HIS E 131 9.458 -2.733 14.452 1.00 8.91 O +ATOM 903 CB HIS E 131 7.124 -0.944 12.973 1.00 8.65 C +ATOM 904 CG HIS E 131 6.174 0.253 13.049 1.00 14.83 C +ATOM 905 ND1 HIS E 131 5.531 0.784 14.090 1.00 20.09 N +ATOM 906 CD2 HIS E 131 5.733 0.952 11.951 1.00 18.33 C +ATOM 907 CE1 HIS E 131 4.728 1.746 13.673 1.00 22.24 C +ATOM 908 NE2 HIS E 131 4.859 1.834 12.380 1.00 21.15 N +ATOM 909 N LEU E 132 10.066 -2.219 12.402 1.00 8.81 N +ATOM 910 CA LEU E 132 10.855 -3.422 12.255 1.00 2.72 C +ATOM 911 C LEU E 132 12.002 -3.336 13.188 1.00 2.00 C +ATOM 912 O LEU E 132 12.399 -4.305 13.773 1.00 3.48 O +ATOM 913 CB LEU E 132 11.361 -3.499 10.885 1.00 2.00 C +ATOM 914 CG LEU E 132 12.292 -4.589 10.573 1.00 2.00 C +ATOM 915 CD1 LEU E 132 11.578 -5.922 10.661 1.00 2.95 C +ATOM 916 CD2 LEU E 132 12.894 -4.260 9.256 1.00 2.00 C +ATOM 917 N ARG E 133 12.568 -2.185 13.334 1.00 3.61 N +ATOM 918 CA ARG E 133 13.667 -2.056 14.237 1.00 8.05 C +ATOM 919 C ARG E 133 13.106 -2.046 15.641 1.00 10.47 C +ATOM 920 O ARG E 133 13.762 -2.617 16.488 1.00 11.57 O +ATOM 921 CB ARG E 133 14.419 -0.775 13.936 1.00 6.21 C +ATOM 922 CG ARG E 133 15.027 -0.747 12.541 1.00 2.00 C +ATOM 923 CD ARG E 133 16.512 -1.049 12.527 1.00 2.94 C +ATOM 924 NE ARG E 133 16.644 -2.139 11.615 1.00 6.48 N +ATOM 925 CZ ARG E 133 17.213 -2.080 10.397 1.00 14.42 C +ATOM 926 NH1 ARG E 133 17.776 -1.009 9.790 1.00 11.79 N +ATOM 927 NH2 ARG E 133 17.224 -3.235 9.744 1.00 14.32 N +ATOM 928 N ARG E 134 11.926 -1.509 15.967 1.00 13.64 N +ATOM 929 CA ARG E 134 11.449 -1.514 17.358 1.00 14.31 C +ATOM 930 C ARG E 134 11.002 -2.866 17.932 1.00 13.29 C +ATOM 931 O ARG E 134 11.352 -3.293 19.039 1.00 12.38 O +ATOM 932 CB ARG E 134 10.313 -0.504 17.495 1.00 8.86 C +ATOM 933 CG ARG E 134 9.925 -0.249 18.943 1.00 14.85 C +ATOM 934 CD ARG E 134 8.697 0.684 19.101 1.00 26.15 C +ATOM 935 NE ARG E 134 7.438 0.107 18.589 1.00 31.18 N +ATOM 936 CZ ARG E 134 6.870 0.440 17.409 1.00 32.69 C +ATOM 937 NH1 ARG E 134 7.389 1.349 16.571 1.00 34.59 N +ATOM 938 NH2 ARG E 134 5.773 -0.192 17.022 1.00 32.62 N +ATOM 939 N ILE E 135 10.175 -3.509 17.118 1.00 14.36 N +ATOM 940 CA ILE E 135 9.556 -4.815 17.384 1.00 14.07 C +ATOM 941 C ILE E 135 10.718 -5.814 17.296 1.00 13.69 C +ATOM 942 O ILE E 135 10.702 -6.870 17.903 1.00 12.92 O +ATOM 943 CB ILE E 135 8.426 -4.998 16.275 1.00 15.10 C +ATOM 944 CG1 ILE E 135 7.317 -3.993 16.526 1.00 17.97 C +ATOM 945 CG2 ILE E 135 7.845 -6.378 16.266 1.00 14.82 C +ATOM 946 CD1 ILE E 135 6.478 -3.495 15.313 1.00 16.88 C +ATOM 947 N GLY E 136 11.773 -5.519 16.532 1.00 15.76 N +ATOM 948 CA GLY E 136 12.927 -6.380 16.391 1.00 11.04 C +ATOM 949 C GLY E 136 12.882 -7.161 15.091 1.00 11.35 C +ATOM 950 O GLY E 136 13.833 -7.135 14.318 1.00 12.02 O +ATOM 951 N ARG E 137 11.779 -7.879 14.870 1.00 11.55 N +ATOM 952 CA ARG E 137 11.569 -8.724 13.708 1.00 12.22 C +ATOM 953 C ARG E 137 10.119 -9.216 13.585 1.00 9.98 C +ATOM 954 O ARG E 137 9.290 -9.134 14.498 1.00 9.56 O +ATOM 955 CB ARG E 137 12.477 -9.941 13.748 1.00 14.41 C +ATOM 956 CG ARG E 137 12.334 -10.878 14.895 1.00 18.45 C +ATOM 957 CD ARG E 137 13.194 -12.010 14.437 1.00 29.09 C +ATOM 958 NE ARG E 137 13.387 -13.043 15.458 1.00 41.04 N +ATOM 959 CZ ARG E 137 12.676 -14.189 15.534 1.00 42.94 C +ATOM 960 NH1 ARG E 137 11.668 -14.502 14.668 1.00 44.11 N +ATOM 961 NH2 ARG E 137 13.089 -15.086 16.447 1.00 39.33 N +ATOM 962 N PHE E 138 9.768 -9.712 12.431 1.00 4.99 N +ATOM 963 CA PHE E 138 8.411 -10.018 12.247 1.00 9.24 C +ATOM 964 C PHE E 138 8.309 -11.507 12.223 1.00 11.69 C +ATOM 965 O PHE E 138 9.284 -12.217 11.986 1.00 11.96 O +ATOM 966 CB PHE E 138 7.929 -9.339 10.960 1.00 6.93 C +ATOM 967 CG PHE E 138 7.850 -7.813 11.072 1.00 7.04 C +ATOM 968 CD1 PHE E 138 7.776 -7.160 12.290 1.00 8.37 C +ATOM 969 CD2 PHE E 138 7.896 -7.035 9.947 1.00 5.49 C +ATOM 970 CE1 PHE E 138 7.758 -5.777 12.387 1.00 3.23 C +ATOM 971 CE2 PHE E 138 7.880 -5.654 10.054 1.00 5.07 C +ATOM 972 CZ PHE E 138 7.815 -5.020 11.263 1.00 2.00 C +ATOM 973 N GLU E 140 6.904 -14.988 10.708 1.00 21.59 N +ATOM 974 CA GLU E 140 6.671 -15.294 9.316 1.00 20.77 C +ATOM 975 C GLU E 140 5.273 -14.941 8.898 1.00 18.96 C +ATOM 976 O GLU E 140 5.231 -14.212 7.931 1.00 20.72 O +ATOM 977 CB GLU E 140 6.941 -16.742 9.034 1.00 22.16 C +ATOM 978 CG GLU E 140 8.462 -16.924 9.084 1.00 23.16 C +ATOM 979 CD GLU E 140 8.973 -18.268 8.626 1.00 20.28 C +ATOM 980 OE1 GLU E 140 8.546 -18.722 7.572 1.00 18.07 O +ATOM 981 OE2 GLU E 140 9.786 -18.855 9.331 1.00 22.24 O +ATOM 982 N PRO E 141 4.147 -15.220 9.547 1.00 17.82 N +ATOM 983 CA PRO E 141 2.831 -14.735 9.146 1.00 16.08 C +ATOM 984 C PRO E 141 2.814 -13.273 8.751 1.00 13.29 C +ATOM 985 O PRO E 141 2.368 -12.930 7.665 1.00 14.51 O +ATOM 986 CB PRO E 141 1.951 -15.013 10.334 1.00 15.68 C +ATOM 987 CG PRO E 141 2.551 -16.274 10.869 1.00 16.97 C +ATOM 988 CD PRO E 141 4.043 -16.042 10.737 1.00 17.01 C +ATOM 989 N HIS E 142 3.411 -12.432 9.585 1.00 10.25 N +ATOM 990 CA HIS E 142 3.405 -10.985 9.387 1.00 11.07 C +ATOM 991 C HIS E 142 4.353 -10.616 8.229 1.00 11.11 C +ATOM 992 O HIS E 142 3.962 -9.784 7.399 1.00 11.75 O +ATOM 993 CB HIS E 142 3.820 -10.351 10.719 1.00 8.40 C +ATOM 994 CG HIS E 142 3.690 -8.854 10.965 1.00 13.85 C +ATOM 995 ND1 HIS E 142 4.047 -8.186 12.071 1.00 19.68 N +ATOM 996 CD2 HIS E 142 3.161 -7.905 10.119 1.00 17.90 C +ATOM 997 CE1 HIS E 142 3.761 -6.901 11.929 1.00 16.51 C +ATOM 998 NE2 HIS E 142 3.219 -6.741 10.736 1.00 14.89 N +ATOM 999 N ALA E 143 5.570 -11.195 8.137 1.00 8.95 N +ATOM 1000 CA ALA E 143 6.460 -10.929 7.040 1.00 8.73 C +ATOM 1001 C ALA E 143 5.647 -11.331 5.823 1.00 11.49 C +ATOM 1002 O ALA E 143 5.356 -10.481 5.000 1.00 17.46 O +ATOM 1003 CB ALA E 143 7.671 -11.791 7.165 1.00 7.25 C +ATOM 1004 N ARG E 144 5.099 -12.524 5.687 1.00 12.69 N +ATOM 1005 CA ARG E 144 4.282 -12.927 4.557 1.00 12.53 C +ATOM 1006 C ARG E 144 3.161 -11.958 4.217 1.00 10.80 C +ATOM 1007 O ARG E 144 2.940 -11.700 3.036 1.00 10.94 O +ATOM 1008 CB ARG E 144 3.728 -14.295 4.869 1.00 13.78 C +ATOM 1009 CG ARG E 144 2.868 -14.876 3.778 1.00 16.30 C +ATOM 1010 CD ARG E 144 2.172 -16.104 4.267 1.00 14.37 C +ATOM 1011 NE ARG E 144 3.127 -17.166 4.539 1.00 16.07 N +ATOM 1012 CZ ARG E 144 3.288 -17.668 5.780 1.00 17.08 C +ATOM 1013 NH1 ARG E 144 2.560 -17.159 6.800 1.00 17.49 N +ATOM 1014 NH2 ARG E 144 4.147 -18.700 5.989 1.00 7.30 N +ATOM 1015 N PHE E 145 2.504 -11.348 5.200 1.00 10.45 N +ATOM 1016 CA PHE E 145 1.422 -10.383 4.966 1.00 8.60 C +ATOM 1017 C PHE E 145 1.918 -9.242 4.090 1.00 12.19 C +ATOM 1018 O PHE E 145 1.344 -8.891 3.049 1.00 16.61 O +ATOM 1019 CB PHE E 145 0.936 -9.797 6.281 1.00 2.00 C +ATOM 1020 CG PHE E 145 -0.157 -8.762 6.148 1.00 3.45 C +ATOM 1021 CD1 PHE E 145 -1.391 -9.094 5.656 1.00 4.06 C +ATOM 1022 CD2 PHE E 145 0.089 -7.482 6.529 1.00 3.55 C +ATOM 1023 CE1 PHE E 145 -2.376 -8.157 5.540 1.00 2.00 C +ATOM 1024 CE2 PHE E 145 -0.904 -6.535 6.412 1.00 6.94 C +ATOM 1025 CZ PHE E 145 -2.139 -6.876 5.916 1.00 7.14 C +ATOM 1026 N TYR E 146 3.040 -8.659 4.493 1.00 10.89 N +ATOM 1027 CA TYR E 146 3.627 -7.556 3.775 1.00 6.42 C +ATOM 1028 C TYR E 146 4.130 -8.004 2.419 1.00 6.70 C +ATOM 1029 O TYR E 146 3.829 -7.377 1.424 1.00 7.49 O +ATOM 1030 CB TYR E 146 4.704 -7.049 4.659 1.00 2.00 C +ATOM 1031 CG TYR E 146 4.107 -6.404 5.909 1.00 6.79 C +ATOM 1032 CD1 TYR E 146 2.924 -5.680 5.855 1.00 2.00 C +ATOM 1033 CD2 TYR E 146 4.814 -6.419 7.106 1.00 8.87 C +ATOM 1034 CE1 TYR E 146 2.469 -4.976 6.961 1.00 5.39 C +ATOM 1035 CE2 TYR E 146 4.350 -5.704 8.210 1.00 7.47 C +ATOM 1036 CZ TYR E 146 3.181 -4.979 8.134 1.00 5.95 C +ATOM 1037 OH TYR E 146 2.733 -4.284 9.240 1.00 8.39 O +ATOM 1038 N ALA E 147 4.794 -9.153 2.342 1.00 8.14 N +ATOM 1039 CA ALA E 147 5.410 -9.695 1.151 1.00 7.57 C +ATOM 1040 C ALA E 147 4.404 -9.899 0.048 1.00 9.60 C +ATOM 1041 O ALA E 147 4.721 -9.615 -1.109 1.00 12.52 O +ATOM 1042 CB ALA E 147 6.030 -11.030 1.411 1.00 5.15 C +ATOM 1043 N ALA E 148 3.185 -10.292 0.367 1.00 5.83 N +ATOM 1044 CA ALA E 148 2.185 -10.470 -0.641 1.00 4.54 C +ATOM 1045 C ALA E 148 1.886 -9.183 -1.346 1.00 6.53 C +ATOM 1046 O ALA E 148 1.847 -9.102 -2.573 1.00 11.86 O +ATOM 1047 CB ALA E 148 0.919 -10.920 -0.052 1.00 4.61 C +ATOM 1048 N GLN E 149 1.737 -8.142 -0.560 1.00 8.36 N +ATOM 1049 CA GLN E 149 1.477 -6.814 -1.075 1.00 6.79 C +ATOM 1050 C GLN E 149 2.574 -6.373 -2.022 1.00 9.79 C +ATOM 1051 O GLN E 149 2.308 -5.705 -3.038 1.00 10.10 O +ATOM 1052 CB GLN E 149 1.380 -5.874 0.083 1.00 4.40 C +ATOM 1053 CG GLN E 149 0.095 -6.174 0.829 1.00 6.81 C +ATOM 1054 CD GLN E 149 0.052 -5.526 2.190 1.00 9.59 C +ATOM 1055 OE1 GLN E 149 -0.219 -4.348 2.307 1.00 13.95 O +ATOM 1056 NE2 GLN E 149 0.302 -6.181 3.304 1.00 12.88 N +ATOM 1057 N ILE E 150 3.833 -6.749 -1.733 1.00 11.25 N +ATOM 1058 CA ILE E 150 4.892 -6.390 -2.670 1.00 12.62 C +ATOM 1059 C ILE E 150 4.848 -7.374 -3.861 1.00 14.71 C +ATOM 1060 O ILE E 150 4.837 -6.858 -4.987 1.00 15.71 O +ATOM 1061 CB ILE E 150 6.316 -6.413 -2.003 1.00 12.17 C +ATOM 1062 CG1 ILE E 150 6.504 -5.419 -0.818 1.00 9.96 C +ATOM 1063 CG2 ILE E 150 7.309 -5.983 -3.083 1.00 15.42 C +ATOM 1064 CD1 ILE E 150 6.348 -3.919 -1.073 1.00 2.00 C +ATOM 1065 N VAL E 151 4.772 -8.724 -3.766 1.00 13.26 N +ATOM 1066 CA VAL E 151 4.705 -9.584 -4.931 1.00 11.96 C +ATOM 1067 C VAL E 151 3.620 -9.029 -5.874 1.00 16.19 C +ATOM 1068 O VAL E 151 3.911 -8.895 -7.063 1.00 22.01 O +ATOM 1069 CB VAL E 151 4.414 -11.016 -4.449 1.00 11.39 C +ATOM 1070 CG1 VAL E 151 4.071 -11.910 -5.614 1.00 10.88 C +ATOM 1071 CG2 VAL E 151 5.660 -11.626 -3.830 1.00 4.37 C +ATOM 1072 N LEU E 152 2.461 -8.492 -5.424 1.00 15.12 N +ATOM 1073 CA LEU E 152 1.459 -7.930 -6.336 1.00 10.88 C +ATOM 1074 C LEU E 152 1.794 -6.565 -6.868 1.00 13.46 C +ATOM 1075 O LEU E 152 1.516 -6.281 -8.033 1.00 15.61 O +ATOM 1076 CB LEU E 152 0.099 -7.731 -5.726 1.00 8.20 C +ATOM 1077 CG LEU E 152 -0.588 -8.848 -5.000 1.00 11.12 C +ATOM 1078 CD1 LEU E 152 -1.927 -8.358 -4.438 1.00 9.40 C +ATOM 1079 CD2 LEU E 152 -0.726 -10.029 -5.958 1.00 12.34 C +ATOM 1080 N THR E 153 2.342 -5.672 -6.033 1.00 15.95 N +ATOM 1081 CA THR E 153 2.656 -4.314 -6.442 1.00 9.81 C +ATOM 1082 C THR E 153 3.665 -4.403 -7.536 1.00 10.17 C +ATOM 1083 O THR E 153 3.567 -3.681 -8.538 1.00 11.57 O +ATOM 1084 CB THR E 153 3.193 -3.535 -5.257 1.00 3.01 C +ATOM 1085 OG1 THR E 153 2.080 -3.335 -4.410 1.00 3.20 O +ATOM 1086 CG2 THR E 153 3.752 -2.213 -5.606 1.00 2.00 C +ATOM 1087 N PHE E 154 4.560 -5.367 -7.377 1.00 9.36 N +ATOM 1088 CA PHE E 154 5.591 -5.541 -8.353 1.00 11.70 C +ATOM 1089 C PHE E 154 4.979 -6.143 -9.568 1.00 12.88 C +ATOM 1090 O PHE E 154 5.295 -5.703 -10.662 1.00 18.91 O +ATOM 1091 CB PHE E 154 6.695 -6.455 -7.877 1.00 11.47 C +ATOM 1092 CG PHE E 154 7.794 -5.732 -7.129 1.00 9.32 C +ATOM 1093 CD1 PHE E 154 7.662 -4.399 -6.778 1.00 6.48 C +ATOM 1094 CD2 PHE E 154 8.920 -6.452 -6.800 1.00 5.85 C +ATOM 1095 CE1 PHE E 154 8.677 -3.792 -6.085 1.00 6.27 C +ATOM 1096 CE2 PHE E 154 9.921 -5.830 -6.109 1.00 2.00 C +ATOM 1097 CZ PHE E 154 9.798 -4.514 -5.755 1.00 4.44 C +ATOM 1098 N GLU E 155 4.098 -7.092 -9.445 1.00 11.58 N +ATOM 1099 CA GLU E 155 3.501 -7.689 -10.600 1.00 9.61 C +ATOM 1100 C GLU E 155 2.789 -6.619 -11.421 1.00 5.54 C +ATOM 1101 O GLU E 155 2.829 -6.575 -12.640 1.00 9.49 O +ATOM 1102 CB GLU E 155 2.607 -8.738 -10.039 1.00 12.90 C +ATOM 1103 CG GLU E 155 2.039 -9.556 -11.153 1.00 18.03 C +ATOM 1104 CD GLU E 155 0.620 -10.003 -10.942 1.00 15.82 C +ATOM 1105 OE1 GLU E 155 -0.120 -9.354 -10.208 1.00 17.78 O +ATOM 1106 OE2 GLU E 155 0.275 -11.005 -11.539 1.00 17.35 O +ATOM 1107 N TYR E 156 2.185 -5.666 -10.797 1.00 4.56 N +ATOM 1108 CA TYR E 156 1.571 -4.572 -11.508 1.00 5.36 C +ATOM 1109 C TYR E 156 2.606 -3.636 -12.096 1.00 6.37 C +ATOM 1110 O TYR E 156 2.564 -3.354 -13.286 1.00 6.80 O +ATOM 1111 CB TYR E 156 0.712 -3.850 -10.545 1.00 3.57 C +ATOM 1112 CG TYR E 156 0.353 -2.470 -10.939 1.00 2.00 C +ATOM 1113 CD1 TYR E 156 -0.569 -2.296 -11.911 1.00 9.80 C +ATOM 1114 CD2 TYR E 156 0.894 -1.425 -10.287 1.00 3.49 C +ATOM 1115 CE1 TYR E 156 -0.997 -1.037 -12.248 1.00 10.34 C +ATOM 1116 CE2 TYR E 156 0.477 -0.160 -10.611 1.00 8.97 C +ATOM 1117 CZ TYR E 156 -0.473 0.018 -11.585 1.00 9.51 C +ATOM 1118 OH TYR E 156 -0.953 1.271 -11.893 1.00 17.14 O +ATOM 1119 N LEU E 157 3.503 -3.093 -11.265 1.00 9.08 N +ATOM 1120 CA LEU E 157 4.541 -2.162 -11.704 1.00 10.56 C +ATOM 1121 C LEU E 157 5.232 -2.735 -12.914 1.00 13.16 C +ATOM 1122 O LEU E 157 5.163 -2.181 -14.012 1.00 14.62 O +ATOM 1123 CB LEU E 157 5.606 -1.922 -10.634 1.00 8.82 C +ATOM 1124 CG LEU E 157 5.312 -0.917 -9.523 1.00 11.37 C +ATOM 1125 CD1 LEU E 157 6.589 -0.730 -8.746 1.00 6.29 C +ATOM 1126 CD2 LEU E 157 4.918 0.462 -10.077 1.00 4.65 C +ATOM 1127 N HIS E 158 5.739 -3.960 -12.754 1.00 11.25 N +ATOM 1128 CA HIS E 158 6.474 -4.655 -13.791 1.00 9.89 C +ATOM 1129 C HIS E 158 5.722 -4.782 -15.095 1.00 13.71 C +ATOM 1130 O HIS E 158 6.295 -4.568 -16.166 1.00 11.58 O +ATOM 1131 CB HIS E 158 6.817 -6.001 -13.292 1.00 6.27 C +ATOM 1132 CG HIS E 158 7.989 -5.934 -12.331 1.00 6.18 C +ATOM 1133 ND1 HIS E 158 8.743 -4.896 -12.031 1.00 6.97 N +ATOM 1134 CD2 HIS E 158 8.506 -7.002 -11.665 1.00 8.67 C +ATOM 1135 CE1 HIS E 158 9.690 -5.285 -11.235 1.00 5.90 C +ATOM 1136 NE2 HIS E 158 9.543 -6.550 -11.019 1.00 9.14 N +ATOM 1137 N SER E 159 4.411 -5.030 -14.996 1.00 18.13 N +ATOM 1138 CA SER E 159 3.574 -5.208 -16.156 1.00 17.28 C +ATOM 1139 C SER E 159 3.506 -3.935 -16.978 1.00 17.74 C +ATOM 1140 O SER E 159 3.285 -3.974 -18.197 1.00 19.21 O +ATOM 1141 CB SER E 159 2.188 -5.615 -15.697 1.00 19.66 C +ATOM 1142 OG SER E 159 1.266 -4.551 -15.453 1.00 25.37 O +ATOM 1143 N LEU E 160 3.686 -2.784 -16.315 1.00 15.98 N +ATOM 1144 CA LEU E 160 3.643 -1.509 -17.017 1.00 11.71 C +ATOM 1145 C LEU E 160 4.987 -1.110 -17.566 1.00 11.00 C +ATOM 1146 O LEU E 160 5.160 0.055 -17.918 1.00 12.85 O +ATOM 1147 CB LEU E 160 3.156 -0.436 -16.082 1.00 8.72 C +ATOM 1148 CG LEU E 160 1.686 -0.162 -15.896 1.00 5.92 C +ATOM 1149 CD1 LEU E 160 0.842 -1.343 -16.167 1.00 9.02 C +ATOM 1150 CD2 LEU E 160 1.517 0.312 -14.475 1.00 8.67 C +ATOM 1151 N ASP E 161 5.913 -2.080 -17.617 1.00 9.12 N +ATOM 1152 CA ASP E 161 7.309 -1.959 -18.038 1.00 12.48 C +ATOM 1153 C ASP E 161 8.189 -1.060 -17.189 1.00 13.50 C +ATOM 1154 O ASP E 161 9.246 -0.564 -17.619 1.00 15.97 O +ATOM 1155 CB ASP E 161 7.393 -1.479 -19.467 1.00 16.28 C +ATOM 1156 CG ASP E 161 6.721 -2.440 -20.433 1.00 22.98 C +ATOM 1157 OD1 ASP E 161 7.116 -3.643 -20.460 1.00 20.64 O +ATOM 1158 OD2 ASP E 161 5.808 -1.945 -21.130 1.00 24.20 O +ATOM 1159 N LEU E 162 7.676 -0.880 -15.951 1.00 13.79 N +ATOM 1160 CA LEU E 162 8.275 -0.099 -14.876 1.00 9.90 C +ATOM 1161 C LEU E 162 9.188 -1.051 -14.119 1.00 8.98 C +ATOM 1162 O LEU E 162 8.934 -2.280 -14.031 1.00 8.28 O +ATOM 1163 CB LEU E 162 7.191 0.415 -13.933 1.00 6.62 C +ATOM 1164 CG LEU E 162 6.560 1.785 -14.032 1.00 6.73 C +ATOM 1165 CD1 LEU E 162 6.674 2.427 -15.370 1.00 5.38 C +ATOM 1166 CD2 LEU E 162 5.114 1.572 -13.735 1.00 4.78 C +ATOM 1167 N ILE E 163 10.212 -0.439 -13.529 1.00 7.27 N +ATOM 1168 CA ILE E 163 11.147 -1.113 -12.631 1.00 9.43 C +ATOM 1169 C ILE E 163 11.237 -0.087 -11.486 1.00 7.22 C +ATOM 1170 O ILE E 163 11.399 1.106 -11.741 1.00 12.70 O +ATOM 1171 CB ILE E 163 12.431 -1.363 -13.498 1.00 8.71 C +ATOM 1172 CG1 ILE E 163 13.417 -2.208 -12.849 1.00 8.68 C +ATOM 1173 CG2 ILE E 163 13.147 -0.067 -13.729 1.00 13.91 C +ATOM 1174 CD1 ILE E 163 14.468 -2.422 -13.966 1.00 10.71 C +ATOM 1175 N TYR E 164 10.914 -0.438 -10.239 1.00 6.74 N +ATOM 1176 CA TYR E 164 10.962 0.449 -9.056 1.00 7.41 C +ATOM 1177 C TYR E 164 12.366 0.233 -8.571 1.00 6.57 C +ATOM 1178 O TYR E 164 12.538 -0.918 -8.211 1.00 13.20 O +ATOM 1179 CB TYR E 164 9.925 -0.071 -8.057 1.00 2.29 C +ATOM 1180 CG TYR E 164 9.933 0.601 -6.713 1.00 2.00 C +ATOM 1181 CD1 TYR E 164 9.470 1.861 -6.634 1.00 4.97 C +ATOM 1182 CD2 TYR E 164 10.413 -0.024 -5.595 1.00 2.39 C +ATOM 1183 CE1 TYR E 164 9.491 2.498 -5.443 1.00 5.88 C +ATOM 1184 CE2 TYR E 164 10.442 0.607 -4.397 1.00 2.00 C +ATOM 1185 CZ TYR E 164 9.973 1.871 -4.360 1.00 2.00 C +ATOM 1186 OH TYR E 164 9.986 2.570 -3.196 1.00 10.65 O +ATOM 1187 N ARG E 165 13.431 0.976 -8.472 1.00 4.52 N +ATOM 1188 CA ARG E 165 14.654 0.274 -8.046 1.00 4.97 C +ATOM 1189 C ARG E 165 15.132 0.492 -6.610 1.00 6.57 C +ATOM 1190 O ARG E 165 16.330 0.384 -6.294 1.00 9.81 O +ATOM 1191 CB ARG E 165 15.770 0.630 -9.046 1.00 8.85 C +ATOM 1192 CG ARG E 165 15.650 -0.049 -10.400 1.00 5.40 C +ATOM 1193 CD ARG E 165 16.558 0.582 -11.433 1.00 3.20 C +ATOM 1194 NE ARG E 165 16.178 1.966 -11.644 1.00 4.15 N +ATOM 1195 CZ ARG E 165 16.837 2.726 -12.499 1.00 2.71 C +ATOM 1196 NH1 ARG E 165 17.852 2.246 -13.187 1.00 3.81 N +ATOM 1197 NH2 ARG E 165 16.483 3.967 -12.634 1.00 2.00 N +ATOM 1198 N ASP E 166 14.211 0.766 -5.668 1.00 7.61 N +ATOM 1199 CA ASP E 166 14.573 1.098 -4.287 1.00 10.54 C +ATOM 1200 C ASP E 166 13.671 0.597 -3.139 1.00 12.06 C +ATOM 1201 O ASP E 166 13.172 1.357 -2.311 1.00 16.54 O +ATOM 1202 CB ASP E 166 14.730 2.626 -4.256 1.00 10.31 C +ATOM 1203 CG ASP E 166 15.628 3.171 -3.167 1.00 7.35 C +ATOM 1204 OD1 ASP E 166 16.672 2.617 -2.841 1.00 7.13 O +ATOM 1205 OD2 ASP E 166 15.261 4.193 -2.631 1.00 16.71 O +ATOM 1206 N LEU E 167 13.496 -0.729 -3.073 1.00 11.09 N +ATOM 1207 CA LEU E 167 12.705 -1.422 -2.072 1.00 8.29 C +ATOM 1208 C LEU E 167 13.615 -1.566 -0.883 1.00 8.29 C +ATOM 1209 O LEU E 167 14.798 -1.911 -1.007 1.00 11.39 O +ATOM 1210 CB LEU E 167 12.294 -2.808 -2.533 1.00 3.84 C +ATOM 1211 CG LEU E 167 11.259 -3.523 -1.705 1.00 2.00 C +ATOM 1212 CD1 LEU E 167 9.924 -2.808 -1.883 1.00 3.19 C +ATOM 1213 CD2 LEU E 167 11.178 -4.973 -2.111 1.00 2.00 C +ATOM 1214 N LYS E 168 13.047 -1.135 0.231 1.00 6.17 N +ATOM 1215 CA LYS E 168 13.695 -1.206 1.523 1.00 3.67 C +ATOM 1216 C LYS E 168 12.630 -0.782 2.482 1.00 2.15 C +ATOM 1217 O LYS E 168 11.728 -0.055 2.065 1.00 2.00 O +ATOM 1218 CB LYS E 168 14.841 -0.245 1.675 1.00 2.00 C +ATOM 1219 CG LYS E 168 14.501 1.145 1.257 1.00 2.00 C +ATOM 1220 CD LYS E 168 15.804 1.880 1.272 1.00 4.80 C +ATOM 1221 CE LYS E 168 15.611 3.296 0.759 1.00 4.87 C +ATOM 1222 NZ LYS E 168 16.895 3.966 0.665 1.00 6.44 N +ATOM 1223 N PRO E 169 12.690 -1.223 3.741 1.00 2.40 N +ATOM 1224 CA PRO E 169 11.912 -0.756 4.867 1.00 2.21 C +ATOM 1225 C PRO E 169 11.459 0.700 4.935 1.00 2.00 C +ATOM 1226 O PRO E 169 10.307 1.102 5.114 1.00 2.85 O +ATOM 1227 CB PRO E 169 12.814 -1.188 6.003 1.00 2.44 C +ATOM 1228 CG PRO E 169 13.174 -2.551 5.663 1.00 2.00 C +ATOM 1229 CD PRO E 169 13.409 -2.413 4.165 1.00 2.00 C +ATOM 1230 N GLU E 170 12.489 1.507 4.808 1.00 2.80 N +ATOM 1231 CA GLU E 170 12.420 2.918 4.895 1.00 2.00 C +ATOM 1232 C GLU E 170 11.437 3.355 3.859 1.00 6.04 C +ATOM 1233 O GLU E 170 10.927 4.419 4.056 1.00 16.39 O +ATOM 1234 CB GLU E 170 13.768 3.529 4.599 1.00 2.00 C +ATOM 1235 CG GLU E 170 14.992 3.305 5.508 1.00 2.00 C +ATOM 1236 CD GLU E 170 15.769 2.004 5.359 1.00 6.23 C +ATOM 1237 OE1 GLU E 170 15.190 0.948 5.155 1.00 4.65 O +ATOM 1238 OE2 GLU E 170 16.983 2.012 5.467 1.00 8.15 O +ATOM 1239 N ASN E 171 11.050 2.663 2.787 1.00 10.78 N +ATOM 1240 CA ASN E 171 10.128 3.143 1.747 1.00 8.13 C +ATOM 1241 C ASN E 171 8.745 2.528 1.782 1.00 9.54 C +ATOM 1242 O ASN E 171 7.913 2.848 0.919 1.00 11.35 O +ATOM 1243 CB ASN E 171 10.652 2.848 0.381 1.00 9.78 C +ATOM 1244 CG ASN E 171 11.725 3.805 -0.065 1.00 9.83 C +ATOM 1245 OD1 ASN E 171 12.118 4.705 0.667 1.00 7.85 O +ATOM 1246 ND2 ASN E 171 12.234 3.655 -1.279 1.00 9.21 N +ATOM 1247 N LEU E 172 8.402 1.643 2.717 1.00 6.73 N +ATOM 1248 CA LEU E 172 7.067 1.084 2.705 1.00 5.78 C +ATOM 1249 C LEU E 172 6.397 1.745 3.886 1.00 4.66 C +ATOM 1250 O LEU E 172 6.778 1.445 5.010 1.00 9.05 O +ATOM 1251 CB LEU E 172 7.164 -0.427 2.858 1.00 2.00 C +ATOM 1252 CG LEU E 172 8.137 -1.018 1.884 1.00 2.00 C +ATOM 1253 CD1 LEU E 172 8.619 -2.337 2.393 1.00 5.28 C +ATOM 1254 CD2 LEU E 172 7.505 -1.061 0.536 1.00 2.00 C +ATOM 1255 N LEU E 173 5.495 2.691 3.695 1.00 2.81 N +ATOM 1256 CA LEU E 173 4.791 3.356 4.772 1.00 5.03 C +ATOM 1257 C LEU E 173 3.610 2.515 5.228 1.00 6.94 C +ATOM 1258 O LEU E 173 3.009 1.980 4.321 1.00 7.51 O +ATOM 1259 CB LEU E 173 4.287 4.665 4.297 1.00 3.72 C +ATOM 1260 CG LEU E 173 5.319 5.665 3.793 1.00 7.89 C +ATOM 1261 CD1 LEU E 173 4.711 7.033 3.743 1.00 10.79 C +ATOM 1262 CD2 LEU E 173 6.426 5.874 4.775 1.00 10.33 C +ATOM 1263 N ILE E 174 3.247 2.365 6.513 1.00 6.52 N +ATOM 1264 CA ILE E 174 2.174 1.510 6.991 1.00 7.11 C +ATOM 1265 C ILE E 174 0.938 2.378 7.094 1.00 11.70 C +ATOM 1266 O ILE E 174 1.024 3.428 7.740 1.00 12.80 O +ATOM 1267 CB ILE E 174 2.498 0.959 8.376 1.00 4.78 C +ATOM 1268 CG1 ILE E 174 3.828 0.242 8.403 1.00 2.14 C +ATOM 1269 CG2 ILE E 174 1.389 0.032 8.780 1.00 2.00 C +ATOM 1270 CD1 ILE E 174 3.845 -1.124 7.684 1.00 7.35 C +ATOM 1271 N ASP E 175 -0.222 2.028 6.523 1.00 13.93 N +ATOM 1272 CA ASP E 175 -1.399 2.880 6.605 1.00 18.18 C +ATOM 1273 C ASP E 175 -2.399 2.527 7.703 1.00 21.67 C +ATOM 1274 O ASP E 175 -2.292 1.459 8.289 1.00 24.19 O +ATOM 1275 CB ASP E 175 -2.159 2.920 5.267 1.00 14.58 C +ATOM 1276 CG ASP E 175 -2.808 1.655 4.755 1.00 15.62 C +ATOM 1277 OD1 ASP E 175 -3.081 0.726 5.494 1.00 12.15 O +ATOM 1278 OD2 ASP E 175 -3.049 1.606 3.554 1.00 23.73 O +ATOM 1279 N GLN E 176 -3.486 3.304 7.864 1.00 26.17 N +ATOM 1280 CA GLN E 176 -4.404 3.174 8.977 1.00 28.59 C +ATOM 1281 C GLN E 176 -4.866 1.772 9.149 1.00 25.36 C +ATOM 1282 O GLN E 176 -4.772 1.280 10.250 1.00 29.72 O +ATOM 1283 CB GLN E 176 -5.639 4.040 8.817 1.00 36.79 C +ATOM 1284 CG GLN E 176 -6.148 4.486 10.222 1.00 49.51 C +ATOM 1285 CD GLN E 176 -7.341 5.471 10.305 1.00 55.41 C +ATOM 1286 OE1 GLN E 176 -8.481 5.058 10.543 1.00 60.10 O +ATOM 1287 NE2 GLN E 176 -7.191 6.796 10.157 1.00 57.10 N +ATOM 1288 N GLN E 177 -5.251 1.089 8.096 1.00 21.38 N +ATOM 1289 CA GLN E 177 -5.634 -0.288 8.225 1.00 17.81 C +ATOM 1290 C GLN E 177 -4.441 -1.265 8.295 1.00 17.69 C +ATOM 1291 O GLN E 177 -4.621 -2.426 7.950 1.00 19.46 O +ATOM 1292 CB GLN E 177 -6.578 -0.559 7.043 1.00 16.77 C +ATOM 1293 N GLY E 178 -3.206 -0.969 8.720 1.00 17.91 N +ATOM 1294 CA GLY E 178 -2.088 -1.935 8.756 1.00 17.05 C +ATOM 1295 C GLY E 178 -1.507 -2.379 7.395 1.00 18.87 C +ATOM 1296 O GLY E 178 -0.661 -3.281 7.385 1.00 19.61 O +ATOM 1297 N TYR E 179 -1.900 -1.790 6.239 1.00 18.26 N +ATOM 1298 CA TYR E 179 -1.453 -2.146 4.875 1.00 16.21 C +ATOM 1299 C TYR E 179 -0.349 -1.268 4.349 1.00 14.69 C +ATOM 1300 O TYR E 179 -0.147 -0.204 4.916 1.00 18.92 O +ATOM 1301 CB TYR E 179 -2.595 -2.060 3.883 1.00 17.23 C +ATOM 1302 CG TYR E 179 -3.430 -3.335 3.814 1.00 20.97 C +ATOM 1303 CD1 TYR E 179 -4.374 -3.631 4.772 1.00 23.70 C +ATOM 1304 CD2 TYR E 179 -3.222 -4.237 2.790 1.00 24.20 C +ATOM 1305 CE1 TYR E 179 -5.100 -4.807 4.708 1.00 25.80 C +ATOM 1306 CE2 TYR E 179 -3.935 -5.414 2.711 1.00 27.20 C +ATOM 1307 CZ TYR E 179 -4.873 -5.688 3.676 1.00 28.61 C +ATOM 1308 OH TYR E 179 -5.614 -6.855 3.574 1.00 35.65 O +ATOM 1309 N ILE E 180 0.326 -1.622 3.264 1.00 13.58 N +ATOM 1310 CA ILE E 180 1.525 -0.986 2.712 1.00 8.16 C +ATOM 1311 C ILE E 180 1.178 0.141 1.797 1.00 9.39 C +ATOM 1312 O ILE E 180 0.058 0.200 1.281 1.00 12.82 O +ATOM 1313 CB ILE E 180 2.341 -2.072 1.939 1.00 9.95 C +ATOM 1314 CG1 ILE E 180 2.930 -2.946 2.992 1.00 10.69 C +ATOM 1315 CG2 ILE E 180 3.515 -1.599 1.099 1.00 13.26 C +ATOM 1316 CD1 ILE E 180 3.647 -2.186 4.122 1.00 11.36 C +ATOM 1317 N GLN E 181 2.152 1.042 1.648 1.00 7.51 N +ATOM 1318 CA GLN E 181 2.114 2.097 0.678 1.00 5.07 C +ATOM 1319 C GLN E 181 3.531 2.246 0.212 1.00 5.15 C +ATOM 1320 O GLN E 181 4.389 2.728 0.944 1.00 4.65 O +ATOM 1321 CB GLN E 181 1.750 3.421 1.232 1.00 5.66 C +ATOM 1322 CG GLN E 181 0.454 3.385 1.989 1.00 16.15 C +ATOM 1323 CD GLN E 181 -0.768 3.359 1.111 1.00 15.21 C +ATOM 1324 OE1 GLN E 181 -1.047 4.391 0.525 1.00 21.28 O +ATOM 1325 NE2 GLN E 181 -1.560 2.308 0.965 1.00 20.25 N +ATOM 1326 N VAL E 182 3.840 1.795 -0.986 1.00 5.37 N +ATOM 1327 CA VAL E 182 5.161 2.063 -1.514 1.00 7.25 C +ATOM 1328 C VAL E 182 5.245 3.568 -1.860 1.00 8.03 C +ATOM 1329 O VAL E 182 4.367 4.140 -2.510 1.00 7.05 O +ATOM 1330 CB VAL E 182 5.378 1.147 -2.744 1.00 5.47 C +ATOM 1331 CG1 VAL E 182 6.810 1.238 -3.233 1.00 4.43 C +ATOM 1332 CG2 VAL E 182 5.079 -0.277 -2.370 1.00 2.62 C +ATOM 1333 N THR E 183 6.224 4.303 -1.348 1.00 12.19 N +ATOM 1334 CA THR E 183 6.427 5.712 -1.673 1.00 14.26 C +ATOM 1335 C THR E 183 7.818 5.854 -2.311 1.00 16.57 C +ATOM 1336 O THR E 183 8.557 4.872 -2.458 1.00 17.19 O +ATOM 1337 CB THR E 183 6.282 6.530 -0.369 1.00 14.43 C +ATOM 1338 OG1 THR E 183 6.509 7.907 -0.711 1.00 18.87 O +ATOM 1339 CG2 THR E 183 7.232 6.065 0.720 1.00 12.14 C +ATOM 1340 N ASP E 184 8.217 7.067 -2.692 1.00 18.73 N +ATOM 1341 CA ASP E 184 9.497 7.330 -3.356 1.00 22.09 C +ATOM 1342 C ASP E 184 9.697 6.487 -4.595 1.00 22.14 C +ATOM 1343 O ASP E 184 10.105 5.318 -4.614 1.00 18.62 O +ATOM 1344 CB ASP E 184 10.712 7.050 -2.484 1.00 28.67 C +ATOM 1345 CG ASP E 184 11.960 7.845 -2.891 1.00 34.44 C +ATOM 1346 OD1 ASP E 184 12.674 7.453 -3.824 1.00 38.06 O +ATOM 1347 OD2 ASP E 184 12.231 8.868 -2.252 1.00 39.21 O +ATOM 1348 N PHE E 185 9.384 7.165 -5.693 1.00 21.98 N +ATOM 1349 CA PHE E 185 9.576 6.528 -6.976 1.00 19.51 C +ATOM 1350 C PHE E 185 10.735 7.219 -7.682 1.00 17.74 C +ATOM 1351 O PHE E 185 10.762 7.349 -8.900 1.00 18.11 O +ATOM 1352 CB PHE E 185 8.238 6.622 -7.747 1.00 18.75 C +ATOM 1353 CG PHE E 185 7.387 5.390 -7.454 1.00 15.26 C +ATOM 1354 CD1 PHE E 185 6.782 5.228 -6.228 1.00 11.57 C +ATOM 1355 CD2 PHE E 185 7.277 4.407 -8.408 1.00 15.85 C +ATOM 1356 CE1 PHE E 185 6.080 4.104 -5.933 1.00 4.17 C +ATOM 1357 CE2 PHE E 185 6.569 3.273 -8.095 1.00 14.54 C +ATOM 1358 CZ PHE E 185 5.982 3.130 -6.869 1.00 11.70 C +ATOM 1359 N GLY E 186 11.762 7.578 -6.911 1.00 13.03 N +ATOM 1360 CA GLY E 186 12.871 8.366 -7.383 1.00 8.48 C +ATOM 1361 C GLY E 186 13.844 7.646 -8.250 1.00 8.06 C +ATOM 1362 O GLY E 186 14.736 8.291 -8.789 1.00 13.23 O +ATOM 1363 N PHE E 187 13.761 6.331 -8.349 1.00 6.00 N +ATOM 1364 CA PHE E 187 14.603 5.615 -9.280 1.00 4.59 C +ATOM 1365 C PHE E 187 13.679 4.730 -10.080 1.00 5.86 C +ATOM 1366 O PHE E 187 14.149 3.737 -10.624 1.00 8.56 O +ATOM 1367 CB PHE E 187 15.652 4.676 -8.608 1.00 7.21 C +ATOM 1368 CG PHE E 187 16.680 5.294 -7.673 1.00 2.64 C +ATOM 1369 CD1 PHE E 187 17.202 6.526 -7.891 1.00 6.15 C +ATOM 1370 CD2 PHE E 187 17.085 4.596 -6.594 1.00 5.81 C +ATOM 1371 CE1 PHE E 187 18.120 7.064 -7.034 1.00 8.68 C +ATOM 1372 CE2 PHE E 187 18.009 5.123 -5.733 1.00 12.32 C +ATOM 1373 CZ PHE E 187 18.531 6.364 -5.952 1.00 11.99 C +ATOM 1374 N ALA E 188 12.368 4.953 -10.139 1.00 4.66 N +ATOM 1375 CA ALA E 188 11.547 4.099 -10.964 1.00 3.02 C +ATOM 1376 C ALA E 188 11.943 4.543 -12.361 1.00 4.41 C +ATOM 1377 O ALA E 188 12.410 5.684 -12.573 1.00 2.00 O +ATOM 1378 CB ALA E 188 10.069 4.359 -10.721 1.00 2.00 C +ATOM 1379 N LYS E 189 11.881 3.595 -13.295 1.00 6.33 N +ATOM 1380 CA LYS E 189 12.221 3.865 -14.684 1.00 7.42 C +ATOM 1381 C LYS E 189 11.269 3.028 -15.519 1.00 7.62 C +ATOM 1382 O LYS E 189 10.913 1.918 -15.082 1.00 9.95 O +ATOM 1383 CB LYS E 189 13.721 3.466 -14.921 1.00 10.52 C +ATOM 1384 CG LYS E 189 14.331 3.895 -16.287 1.00 13.12 C +ATOM 1385 CD LYS E 189 15.807 3.611 -16.636 1.00 9.06 C +ATOM 1386 CE LYS E 189 16.128 4.450 -17.869 1.00 8.74 C +ATOM 1387 NZ LYS E 189 17.273 3.963 -18.629 1.00 15.22 N +ATOM 1388 N ARG E 190 10.766 3.529 -16.654 1.00 6.96 N +ATOM 1389 CA ARG E 190 9.956 2.697 -17.549 1.00 6.19 C +ATOM 1390 C ARG E 190 10.952 2.332 -18.659 1.00 7.20 C +ATOM 1391 O ARG E 190 11.490 3.229 -19.335 1.00 7.86 O +ATOM 1392 CB ARG E 190 8.769 3.490 -18.114 1.00 2.24 C +ATOM 1393 CG ARG E 190 7.856 2.547 -18.840 1.00 2.00 C +ATOM 1394 CD ARG E 190 6.655 3.193 -19.514 1.00 5.34 C +ATOM 1395 NE ARG E 190 5.801 2.141 -20.084 1.00 12.46 N +ATOM 1396 CZ ARG E 190 5.316 2.101 -21.349 1.00 12.94 C +ATOM 1397 NH1 ARG E 190 5.545 3.052 -22.257 1.00 7.03 N +ATOM 1398 NH2 ARG E 190 4.667 1.001 -21.767 1.00 9.71 N +ATOM 1399 N VAL E 191 11.243 1.038 -18.772 1.00 5.18 N +ATOM 1400 CA VAL E 191 12.150 0.448 -19.744 1.00 7.48 C +ATOM 1401 C VAL E 191 11.639 -0.898 -20.249 1.00 10.19 C +ATOM 1402 O VAL E 191 11.355 -1.812 -19.450 1.00 7.66 O +ATOM 1403 CB VAL E 191 13.559 0.026 -19.278 1.00 4.19 C +ATOM 1404 CG1 VAL E 191 14.347 1.195 -18.907 1.00 12.02 C +ATOM 1405 CG2 VAL E 191 13.520 -0.726 -17.973 1.00 10.94 C +ATOM 1406 N LYS E 192 11.548 -1.040 -21.583 1.00 12.37 N +ATOM 1407 CA LYS E 192 11.316 -2.360 -22.132 1.00 15.89 C +ATOM 1408 C LYS E 192 12.771 -2.730 -22.394 1.00 21.24 C +ATOM 1409 O LYS E 192 13.456 -1.972 -23.115 1.00 29.13 O +ATOM 1410 CB LYS E 192 10.558 -2.363 -23.469 1.00 14.29 C +ATOM 1411 CG LYS E 192 9.150 -1.816 -23.393 1.00 18.84 C +ATOM 1412 CD LYS E 192 8.105 -2.435 -24.310 1.00 22.31 C +ATOM 1413 CE LYS E 192 6.842 -1.544 -24.424 1.00 26.62 C +ATOM 1414 NZ LYS E 192 5.852 -2.131 -25.329 1.00 32.16 N +ATOM 1415 N GLY E 193 13.356 -3.794 -21.838 1.00 19.33 N +ATOM 1416 CA GLY E 193 14.767 -4.047 -22.154 1.00 19.53 C +ATOM 1417 C GLY E 193 15.714 -3.619 -21.034 1.00 19.17 C +ATOM 1418 O GLY E 193 15.239 -3.321 -19.936 1.00 23.27 O +ATOM 1419 N ARG E 194 17.038 -3.584 -21.224 1.00 17.16 N +ATOM 1420 CA ARG E 194 17.979 -3.263 -20.151 1.00 14.72 C +ATOM 1421 C ARG E 194 18.371 -1.838 -19.824 1.00 13.29 C +ATOM 1422 O ARG E 194 18.393 -0.956 -20.684 1.00 15.72 O +ATOM 1423 CB ARG E 194 19.277 -3.960 -20.363 1.00 17.18 C +ATOM 1424 CG ARG E 194 19.264 -5.355 -19.805 1.00 24.13 C +ATOM 1425 CD ARG E 194 20.565 -5.996 -20.218 1.00 26.81 C +ATOM 1426 NE ARG E 194 20.547 -5.973 -21.685 1.00 32.63 N +ATOM 1427 CZ ARG E 194 21.643 -6.266 -22.480 1.00 32.44 C +ATOM 1428 NH1 ARG E 194 22.830 -6.578 -21.850 1.00 32.12 N +ATOM 1429 NH2 ARG E 194 21.507 -6.338 -23.873 1.00 30.51 N +ATOM 1430 N THR E 195 18.785 -1.665 -18.573 1.00 10.50 N +ATOM 1431 CA THR E 195 19.270 -0.403 -18.112 1.00 5.63 C +ATOM 1432 C THR E 195 20.501 -0.766 -17.314 1.00 7.31 C +ATOM 1433 O THR E 195 20.725 -1.938 -16.955 1.00 6.72 O +ATOM 1434 CB THR E 195 18.163 0.245 -17.313 1.00 2.32 C +ATOM 1435 OG1 THR E 195 18.534 1.593 -17.292 1.00 2.00 O +ATOM 1436 CG2 THR E 195 17.988 -0.237 -15.911 1.00 3.83 C +ATOM 1437 N TRP E 196 21.318 0.290 -17.168 1.00 9.34 N +ATOM 1438 CA TRP E 196 22.668 0.241 -16.578 1.00 10.85 C +ATOM 1439 C TRP E 196 23.001 1.224 -15.436 1.00 11.81 C +ATOM 1440 O TRP E 196 24.155 1.293 -15.009 1.00 12.93 O +ATOM 1441 CB TRP E 196 23.718 0.460 -17.677 1.00 10.72 C +ATOM 1442 CG TRP E 196 23.811 -0.602 -18.770 1.00 11.58 C +ATOM 1443 CD1 TRP E 196 24.687 -1.662 -18.737 1.00 13.02 C +ATOM 1444 CD2 TRP E 196 23.029 -0.650 -19.865 1.00 12.80 C +ATOM 1445 NE1 TRP E 196 24.443 -2.386 -19.797 1.00 11.53 N +ATOM 1446 CE2 TRP E 196 23.473 -1.802 -20.487 1.00 12.31 C +ATOM 1447 CE3 TRP E 196 22.033 0.143 -20.375 1.00 15.37 C +ATOM 1448 CZ2 TRP E 196 22.927 -2.203 -21.658 1.00 11.45 C +ATOM 1449 CZ3 TRP E 196 21.477 -0.260 -21.567 1.00 14.85 C +ATOM 1450 CH2 TRP E 196 21.923 -1.411 -22.190 1.00 17.50 C +ATOM 1451 N LEU E 198 23.780 2.799 -11.761 1.00 4.43 N +ATOM 1452 CA LEU E 198 24.021 2.218 -10.442 1.00 6.85 C +ATOM 1453 C LEU E 198 23.133 3.045 -9.540 1.00 8.67 C +ATOM 1454 O LEU E 198 23.431 4.234 -9.370 1.00 8.92 O +ATOM 1455 CB LEU E 198 25.415 2.402 -9.794 1.00 9.88 C +ATOM 1456 CG LEU E 198 26.498 1.312 -9.456 1.00 15.78 C +ATOM 1457 CD1 LEU E 198 27.428 2.056 -8.510 1.00 19.54 C +ATOM 1458 CD2 LEU E 198 26.061 0.036 -8.680 1.00 13.42 C +ATOM 1459 N CYS E 199 22.031 2.486 -9.031 1.00 5.89 N +ATOM 1460 CA CYS E 199 21.257 3.152 -8.036 1.00 4.83 C +ATOM 1461 C CYS E 199 20.557 2.141 -7.201 1.00 5.27 C +ATOM 1462 O CYS E 199 20.278 1.017 -7.633 1.00 6.14 O +ATOM 1463 CB CYS E 199 20.271 4.073 -8.681 1.00 7.13 C +ATOM 1464 SG CYS E 199 19.546 3.379 -10.164 1.00 17.63 S +ATOM 1465 N GLY E 200 20.331 2.535 -5.955 1.00 5.44 N +ATOM 1466 CA GLY E 200 19.609 1.694 -5.027 1.00 5.33 C +ATOM 1467 C GLY E 200 20.154 2.003 -3.658 1.00 6.54 C +ATOM 1468 O GLY E 200 20.716 3.100 -3.484 1.00 8.24 O +ATOM 1469 N THR E 201 19.997 1.076 -2.703 1.00 3.46 N +ATOM 1470 CA THR E 201 20.523 1.260 -1.360 1.00 2.43 C +ATOM 1471 C THR E 201 21.491 0.137 -1.279 1.00 2.00 C +ATOM 1472 O THR E 201 21.043 -0.973 -1.556 1.00 5.14 O +ATOM 1473 CB THR E 201 19.438 1.059 -0.335 1.00 3.15 C +ATOM 1474 OG1 THR E 201 18.465 2.037 -0.659 1.00 4.43 O +ATOM 1475 CG2 THR E 201 19.881 1.179 1.086 1.00 2.00 C +ATOM 1476 N PRO E 202 22.735 0.245 -0.905 1.00 2.00 N +ATOM 1477 CA PRO E 202 23.702 -0.843 -1.028 1.00 5.31 C +ATOM 1478 C PRO E 202 23.210 -2.224 -0.599 1.00 7.18 C +ATOM 1479 O PRO E 202 23.414 -3.195 -1.296 1.00 12.20 O +ATOM 1480 CB PRO E 202 24.931 -0.410 -0.212 1.00 2.00 C +ATOM 1481 CG PRO E 202 24.796 1.066 -0.254 1.00 2.83 C +ATOM 1482 CD PRO E 202 23.282 1.351 -0.157 1.00 2.00 C +ATOM 1483 N GLU E 203 22.471 -2.394 0.484 1.00 8.13 N +ATOM 1484 CA GLU E 203 22.080 -3.720 0.943 1.00 6.51 C +ATOM 1485 C GLU E 203 21.165 -4.462 0.022 1.00 8.25 C +ATOM 1486 O GLU E 203 21.066 -5.697 -0.041 1.00 12.53 O +ATOM 1487 CB GLU E 203 21.386 -3.634 2.259 1.00 3.56 C +ATOM 1488 CG GLU E 203 22.411 -3.435 3.326 1.00 10.66 C +ATOM 1489 CD GLU E 203 22.707 -2.004 3.741 1.00 15.39 C +ATOM 1490 OE1 GLU E 203 22.598 -1.066 2.947 1.00 15.10 O +ATOM 1491 OE2 GLU E 203 23.059 -1.845 4.905 1.00 20.15 O +ATOM 1492 N TYR E 204 20.456 -3.637 -0.712 1.00 9.01 N +ATOM 1493 CA TYR E 204 19.420 -4.210 -1.515 1.00 11.51 C +ATOM 1494 C TYR E 204 19.932 -4.459 -2.926 1.00 12.45 C +ATOM 1495 O TYR E 204 19.202 -5.059 -3.710 1.00 13.54 O +ATOM 1496 CB TYR E 204 18.195 -3.228 -1.427 1.00 13.23 C +ATOM 1497 CG TYR E 204 17.464 -3.421 -0.110 1.00 8.51 C +ATOM 1498 CD1 TYR E 204 17.927 -2.818 1.039 1.00 9.66 C +ATOM 1499 CD2 TYR E 204 16.408 -4.311 -0.058 1.00 11.91 C +ATOM 1500 CE1 TYR E 204 17.341 -3.128 2.246 1.00 10.03 C +ATOM 1501 CE2 TYR E 204 15.819 -4.625 1.146 1.00 10.84 C +ATOM 1502 CZ TYR E 204 16.305 -4.025 2.282 1.00 7.72 C +ATOM 1503 OH TYR E 204 15.747 -4.343 3.490 1.00 7.39 O +ATOM 1504 N LEU E 205 21.148 -4.077 -3.319 1.00 10.18 N +ATOM 1505 CA LEU E 205 21.518 -4.181 -4.717 1.00 10.07 C +ATOM 1506 C LEU E 205 21.708 -5.630 -5.256 1.00 13.41 C +ATOM 1507 O LEU E 205 22.456 -6.425 -4.674 1.00 15.76 O +ATOM 1508 CB LEU E 205 22.771 -3.345 -4.885 1.00 7.25 C +ATOM 1509 CG LEU E 205 22.759 -1.834 -4.763 1.00 2.00 C +ATOM 1510 CD1 LEU E 205 24.166 -1.332 -4.848 1.00 2.00 C +ATOM 1511 CD2 LEU E 205 21.924 -1.221 -5.847 1.00 2.20 C +ATOM 1512 N ALA E 206 20.976 -6.068 -6.312 1.00 11.20 N +ATOM 1513 CA ALA E 206 21.151 -7.385 -6.899 1.00 6.28 C +ATOM 1514 C ALA E 206 22.548 -7.432 -7.485 1.00 9.45 C +ATOM 1515 O ALA E 206 23.046 -6.364 -7.841 1.00 10.21 O +ATOM 1516 CB ALA E 206 20.157 -7.553 -7.978 1.00 7.64 C +ATOM 1517 N PRO E 207 23.292 -8.534 -7.656 1.00 11.82 N +ATOM 1518 CA PRO E 207 24.737 -8.501 -7.940 1.00 12.95 C +ATOM 1519 C PRO E 207 25.076 -7.983 -9.301 1.00 13.80 C +ATOM 1520 O PRO E 207 26.141 -7.416 -9.484 1.00 17.35 O +ATOM 1521 CB PRO E 207 25.229 -9.924 -7.745 1.00 14.80 C +ATOM 1522 CG PRO E 207 23.954 -10.738 -7.886 1.00 12.13 C +ATOM 1523 CD PRO E 207 22.952 -9.868 -7.173 1.00 11.79 C +ATOM 1524 N GLU E 208 24.171 -8.213 -10.252 1.00 11.93 N +ATOM 1525 CA GLU E 208 24.249 -7.674 -11.592 1.00 8.38 C +ATOM 1526 C GLU E 208 24.430 -6.171 -11.600 1.00 8.41 C +ATOM 1527 O GLU E 208 25.205 -5.611 -12.375 1.00 13.28 O +ATOM 1528 CB GLU E 208 22.992 -8.055 -12.314 1.00 6.99 C +ATOM 1529 CG GLU E 208 21.811 -7.597 -11.551 1.00 9.33 C +ATOM 1530 CD GLU E 208 20.657 -8.493 -11.771 1.00 12.06 C +ATOM 1531 OE1 GLU E 208 20.608 -9.494 -11.070 1.00 12.20 O +ATOM 1532 OE2 GLU E 208 19.833 -8.190 -12.639 1.00 18.53 O +ATOM 1533 N ILE E 209 23.795 -5.469 -10.688 1.00 5.88 N +ATOM 1534 CA ILE E 209 23.970 -4.046 -10.657 1.00 6.70 C +ATOM 1535 C ILE E 209 25.370 -3.779 -10.174 1.00 8.10 C +ATOM 1536 O ILE E 209 26.023 -2.929 -10.764 1.00 9.23 O +ATOM 1537 CB ILE E 209 23.012 -3.378 -9.692 1.00 6.51 C +ATOM 1538 CG1 ILE E 209 21.585 -3.728 -10.050 1.00 5.31 C +ATOM 1539 CG2 ILE E 209 23.314 -1.881 -9.674 1.00 2.96 C +ATOM 1540 CD1 ILE E 209 20.589 -2.960 -9.147 1.00 8.07 C +ATOM 1541 N ILE E 210 25.879 -4.485 -9.160 1.00 12.77 N +ATOM 1542 CA ILE E 210 27.177 -4.050 -8.677 1.00 20.19 C +ATOM 1543 C ILE E 210 28.239 -4.561 -9.657 1.00 21.21 C +ATOM 1544 O ILE E 210 29.312 -3.968 -9.792 1.00 24.80 O +ATOM 1545 CB ILE E 210 27.457 -4.505 -7.148 1.00 20.29 C +ATOM 1546 CG1 ILE E 210 27.939 -5.878 -7.097 1.00 25.64 C +ATOM 1547 CG2 ILE E 210 26.223 -4.455 -6.266 1.00 14.77 C +ATOM 1548 CD1 ILE E 210 29.356 -5.692 -6.518 1.00 32.92 C +ATOM 1549 N LEU E 211 27.927 -5.573 -10.461 1.00 20.19 N +ATOM 1550 CA LEU E 211 28.877 -6.018 -11.439 1.00 18.64 C +ATOM 1551 C LEU E 211 28.740 -5.264 -12.737 1.00 19.94 C +ATOM 1552 O LEU E 211 29.388 -5.650 -13.699 1.00 22.15 O +ATOM 1553 CB LEU E 211 28.706 -7.488 -11.715 1.00 12.66 C +ATOM 1554 CG LEU E 211 28.954 -8.467 -10.571 1.00 11.10 C +ATOM 1555 CD1 LEU E 211 29.082 -9.825 -11.221 1.00 10.63 C +ATOM 1556 CD2 LEU E 211 30.201 -8.181 -9.770 1.00 2.00 C +ATOM 1557 N SER E 212 27.953 -4.197 -12.839 1.00 20.07 N +ATOM 1558 CA SER E 212 27.743 -3.455 -14.083 1.00 20.95 C +ATOM 1559 C SER E 212 27.420 -4.275 -15.313 1.00 21.55 C +ATOM 1560 O SER E 212 27.983 -4.093 -16.394 1.00 23.81 O +ATOM 1561 CB SER E 212 28.952 -2.622 -14.372 1.00 17.37 C +ATOM 1562 OG SER E 212 29.024 -1.572 -13.430 1.00 24.94 O +ATOM 1563 N LYS E 213 26.467 -5.182 -15.210 1.00 22.22 N +ATOM 1564 CA LYS E 213 26.275 -6.045 -16.352 1.00 23.70 C +ATOM 1565 C LYS E 213 25.119 -5.555 -17.219 1.00 26.16 C +ATOM 1566 O LYS E 213 25.015 -5.908 -18.411 1.00 33.97 O +ATOM 1567 CB LYS E 213 26.082 -7.495 -15.806 1.00 20.80 C +ATOM 1568 N GLY E 214 24.294 -4.636 -16.713 1.00 22.77 N +ATOM 1569 CA GLY E 214 23.093 -4.306 -17.459 1.00 18.72 C +ATOM 1570 C GLY E 214 22.061 -5.216 -16.852 1.00 17.03 C +ATOM 1571 O GLY E 214 22.302 -6.421 -16.694 1.00 16.79 O +ATOM 1572 N TYR E 215 20.928 -4.655 -16.461 1.00 12.65 N +ATOM 1573 CA TYR E 215 20.035 -5.447 -15.654 1.00 10.14 C +ATOM 1574 C TYR E 215 18.640 -5.084 -16.048 1.00 12.37 C +ATOM 1575 O TYR E 215 18.434 -4.203 -16.903 1.00 13.97 O +ATOM 1576 CB TYR E 215 20.322 -5.137 -14.198 1.00 4.86 C +ATOM 1577 CG TYR E 215 20.241 -3.664 -13.807 1.00 2.86 C +ATOM 1578 CD1 TYR E 215 19.047 -3.136 -13.367 1.00 4.57 C +ATOM 1579 CD2 TYR E 215 21.326 -2.835 -13.857 1.00 4.30 C +ATOM 1580 CE1 TYR E 215 18.899 -1.824 -12.988 1.00 2.00 C +ATOM 1581 CE2 TYR E 215 21.180 -1.514 -13.460 1.00 9.52 C +ATOM 1582 CZ TYR E 215 19.968 -1.029 -13.039 1.00 2.00 C +ATOM 1583 OH TYR E 215 19.797 0.277 -12.704 1.00 9.10 O +ATOM 1584 N ASN E 216 17.712 -5.661 -15.290 1.00 10.30 N +ATOM 1585 CA ASN E 216 16.303 -5.609 -15.617 1.00 10.52 C +ATOM 1586 C ASN E 216 15.396 -5.784 -14.406 1.00 8.28 C +ATOM 1587 O ASN E 216 15.827 -5.887 -13.282 1.00 9.69 O +ATOM 1588 CB ASN E 216 16.014 -6.721 -16.595 1.00 14.64 C +ATOM 1589 CG ASN E 216 16.369 -8.072 -15.959 1.00 20.89 C +ATOM 1590 OD1 ASN E 216 16.958 -8.245 -14.876 1.00 21.74 O +ATOM 1591 ND2 ASN E 216 16.015 -9.095 -16.687 1.00 25.26 N +ATOM 1592 N LYS E 217 14.107 -5.952 -14.640 1.00 8.26 N +ATOM 1593 CA LYS E 217 13.065 -6.234 -13.685 1.00 5.03 C +ATOM 1594 C LYS E 217 13.437 -7.207 -12.597 1.00 6.09 C +ATOM 1595 O LYS E 217 12.867 -7.118 -11.510 1.00 10.81 O +ATOM 1596 CB LYS E 217 11.833 -6.770 -14.444 1.00 2.00 C +ATOM 1597 N ALA E 218 14.403 -8.087 -12.803 1.00 6.39 N +ATOM 1598 CA ALA E 218 14.674 -9.152 -11.862 1.00 6.62 C +ATOM 1599 C ALA E 218 15.342 -8.623 -10.644 1.00 8.55 C +ATOM 1600 O ALA E 218 15.364 -9.340 -9.629 1.00 12.13 O +ATOM 1601 CB ALA E 218 15.615 -10.190 -12.423 1.00 4.14 C +ATOM 1602 N VAL E 219 15.890 -7.403 -10.748 1.00 3.63 N +ATOM 1603 CA VAL E 219 16.571 -6.855 -9.613 1.00 4.09 C +ATOM 1604 C VAL E 219 15.473 -6.672 -8.600 1.00 5.76 C +ATOM 1605 O VAL E 219 15.647 -7.036 -7.455 1.00 12.18 O +ATOM 1606 CB VAL E 219 17.304 -5.457 -9.835 1.00 4.07 C +ATOM 1607 CG1 VAL E 219 18.469 -5.715 -10.743 1.00 2.00 C +ATOM 1608 CG2 VAL E 219 16.468 -4.363 -10.460 1.00 3.45 C +ATOM 1609 N ASP E 220 14.268 -6.314 -8.990 1.00 5.65 N +ATOM 1610 CA ASP E 220 13.199 -6.090 -8.063 1.00 3.67 C +ATOM 1611 C ASP E 220 12.861 -7.360 -7.330 1.00 5.80 C +ATOM 1612 O ASP E 220 12.554 -7.300 -6.149 1.00 7.85 O +ATOM 1613 CB ASP E 220 12.056 -5.487 -8.881 1.00 2.11 C +ATOM 1614 CG ASP E 220 12.082 -3.943 -8.842 1.00 5.04 C +ATOM 1615 OD1 ASP E 220 12.725 -3.372 -7.978 1.00 8.80 O +ATOM 1616 OD2 ASP E 220 11.419 -3.267 -9.603 1.00 3.89 O +ATOM 1617 N TRP E 221 13.051 -8.538 -7.908 1.00 8.37 N +ATOM 1618 CA TRP E 221 12.805 -9.795 -7.207 1.00 5.70 C +ATOM 1619 C TRP E 221 13.971 -10.105 -6.276 1.00 7.96 C +ATOM 1620 O TRP E 221 13.683 -10.539 -5.146 1.00 14.05 O +ATOM 1621 CB TRP E 221 12.584 -10.899 -8.227 1.00 2.00 C +ATOM 1622 CG TRP E 221 11.221 -10.661 -8.833 1.00 2.34 C +ATOM 1623 CD1 TRP E 221 11.118 -10.539 -10.174 1.00 3.93 C +ATOM 1624 CD2 TRP E 221 10.002 -10.479 -8.208 1.00 4.70 C +ATOM 1625 NE1 TRP E 221 9.846 -10.272 -10.421 1.00 2.00 N +ATOM 1626 CE2 TRP E 221 9.175 -10.227 -9.291 1.00 2.00 C +ATOM 1627 CE3 TRP E 221 9.445 -10.466 -6.944 1.00 5.96 C +ATOM 1628 CZ2 TRP E 221 7.851 -9.972 -9.177 1.00 2.00 C +ATOM 1629 CZ3 TRP E 221 8.088 -10.207 -6.819 1.00 8.21 C +ATOM 1630 CH2 TRP E 221 7.301 -9.963 -7.922 1.00 5.52 C +ATOM 1631 N TRP E 222 15.255 -9.868 -6.609 1.00 6.41 N +ATOM 1632 CA TRP E 222 16.315 -10.018 -5.609 1.00 7.32 C +ATOM 1633 C TRP E 222 15.980 -9.064 -4.445 1.00 10.64 C +ATOM 1634 O TRP E 222 15.925 -9.539 -3.302 1.00 13.39 O +ATOM 1635 CB TRP E 222 17.699 -9.636 -6.134 1.00 2.36 C +ATOM 1636 CG TRP E 222 18.828 -9.614 -5.099 1.00 3.06 C +ATOM 1637 CD1 TRP E 222 19.095 -8.546 -4.266 1.00 5.24 C +ATOM 1638 CD2 TRP E 222 19.772 -10.584 -4.946 1.00 3.81 C +ATOM 1639 NE1 TRP E 222 20.205 -8.813 -3.603 1.00 6.73 N +ATOM 1640 CE2 TRP E 222 20.625 -10.035 -3.998 1.00 5.91 C +ATOM 1641 CE3 TRP E 222 20.019 -11.816 -5.488 1.00 5.98 C +ATOM 1642 CZ2 TRP E 222 21.732 -10.747 -3.607 1.00 5.95 C +ATOM 1643 CZ3 TRP E 222 21.130 -12.514 -5.086 1.00 2.56 C +ATOM 1644 CH2 TRP E 222 21.978 -11.990 -4.159 1.00 3.80 C +ATOM 1645 N ALA E 223 15.678 -7.769 -4.623 1.00 7.92 N +ATOM 1646 CA ALA E 223 15.412 -6.940 -3.479 1.00 9.22 C +ATOM 1647 C ALA E 223 14.206 -7.433 -2.682 1.00 14.62 C +ATOM 1648 O ALA E 223 14.291 -7.392 -1.446 1.00 19.03 O +ATOM 1649 CB ALA E 223 15.185 -5.536 -3.919 1.00 2.81 C +ATOM 1650 N LEU E 224 13.126 -8.014 -3.251 1.00 14.42 N +ATOM 1651 CA LEU E 224 12.028 -8.529 -2.436 1.00 10.10 C +ATOM 1652 C LEU E 224 12.555 -9.684 -1.643 1.00 10.27 C +ATOM 1653 O LEU E 224 12.112 -9.887 -0.513 1.00 14.18 O +ATOM 1654 CB LEU E 224 10.869 -9.063 -3.231 1.00 9.32 C +ATOM 1655 CG LEU E 224 9.800 -9.855 -2.501 1.00 7.76 C +ATOM 1656 CD1 LEU E 224 8.973 -8.938 -1.697 1.00 7.89 C +ATOM 1657 CD2 LEU E 224 8.900 -10.551 -3.481 1.00 7.68 C +ATOM 1658 N GLY E 225 13.488 -10.453 -2.151 1.00 7.98 N +ATOM 1659 CA GLY E 225 14.041 -11.507 -1.311 1.00 7.81 C +ATOM 1660 C GLY E 225 14.868 -10.948 -0.164 1.00 7.48 C +ATOM 1661 O GLY E 225 14.964 -11.526 0.919 1.00 11.03 O +ATOM 1662 N VAL E 226 15.478 -9.789 -0.364 1.00 7.48 N +ATOM 1663 CA VAL E 226 16.268 -9.180 0.679 1.00 4.54 C +ATOM 1664 C VAL E 226 15.304 -8.702 1.721 1.00 2.00 C +ATOM 1665 O VAL E 226 15.540 -9.003 2.871 1.00 2.00 O +ATOM 1666 CB VAL E 226 17.104 -8.043 0.074 1.00 5.05 C +ATOM 1667 CG1 VAL E 226 17.960 -7.418 1.147 1.00 5.78 C +ATOM 1668 CG2 VAL E 226 18.125 -8.579 -0.918 1.00 2.00 C +ATOM 1669 N LEU E 227 14.175 -8.114 1.311 1.00 4.27 N +ATOM 1670 CA LEU E 227 13.131 -7.584 2.197 1.00 4.84 C +ATOM 1671 C LEU E 227 12.648 -8.689 3.076 1.00 5.53 C +ATOM 1672 O LEU E 227 12.926 -8.567 4.267 1.00 11.22 O +ATOM 1673 CB LEU E 227 11.869 -7.043 1.508 1.00 2.00 C +ATOM 1674 CG LEU E 227 10.834 -6.287 2.311 1.00 2.00 C +ATOM 1675 CD1 LEU E 227 11.285 -4.910 2.613 1.00 2.00 C +ATOM 1676 CD2 LEU E 227 9.639 -6.016 1.472 1.00 2.00 C +ATOM 1677 N ILE E 228 12.033 -9.763 2.586 1.00 5.20 N +ATOM 1678 CA ILE E 228 11.538 -10.837 3.432 1.00 4.89 C +ATOM 1679 C ILE E 228 12.621 -11.320 4.388 1.00 7.84 C +ATOM 1680 O ILE E 228 12.297 -11.640 5.521 1.00 9.63 O +ATOM 1681 CB ILE E 228 11.065 -12.010 2.592 1.00 2.92 C +ATOM 1682 CG1 ILE E 228 9.875 -11.597 1.732 1.00 5.20 C +ATOM 1683 CG2 ILE E 228 10.622 -13.124 3.487 1.00 2.00 C +ATOM 1684 CD1 ILE E 228 9.677 -12.601 0.555 1.00 2.51 C +ATOM 1685 N TYR E 229 13.915 -11.320 4.085 1.00 11.43 N +ATOM 1686 CA TYR E 229 14.917 -11.754 5.060 1.00 9.60 C +ATOM 1687 C TYR E 229 15.010 -10.771 6.221 1.00 10.87 C +ATOM 1688 O TYR E 229 14.887 -11.152 7.378 1.00 12.81 O +ATOM 1689 CB TYR E 229 16.179 -11.844 4.325 1.00 4.99 C +ATOM 1690 CG TYR E 229 17.288 -12.471 5.096 1.00 8.42 C +ATOM 1691 CD1 TYR E 229 17.935 -11.761 6.096 1.00 11.04 C +ATOM 1692 CD2 TYR E 229 17.674 -13.741 4.741 1.00 6.43 C +ATOM 1693 CE1 TYR E 229 19.012 -12.304 6.767 1.00 7.56 C +ATOM 1694 CE2 TYR E 229 18.739 -14.279 5.412 1.00 5.21 C +ATOM 1695 CZ TYR E 229 19.389 -13.565 6.394 1.00 4.36 C +ATOM 1696 OH TYR E 229 20.496 -14.105 6.991 1.00 6.03 O +ATOM 1697 N GLU E 230 15.192 -9.494 5.912 1.00 10.20 N +ATOM 1698 CA GLU E 230 15.335 -8.460 6.891 1.00 8.60 C +ATOM 1699 C GLU E 230 14.105 -8.513 7.767 1.00 11.22 C +ATOM 1700 O GLU E 230 14.254 -8.631 8.992 1.00 13.20 O +ATOM 1701 CB GLU E 230 15.446 -7.060 6.235 1.00 4.50 C +ATOM 1702 CG GLU E 230 15.761 -6.007 7.297 1.00 2.00 C +ATOM 1703 CD GLU E 230 16.288 -4.641 6.895 1.00 6.47 C +ATOM 1704 OE1 GLU E 230 17.024 -4.498 5.932 1.00 13.99 O +ATOM 1705 OE2 GLU E 230 15.981 -3.672 7.565 1.00 10.99 O +ATOM 1706 N MET E 231 12.917 -8.480 7.166 1.00 10.09 N +ATOM 1707 CA MET E 231 11.702 -8.541 7.940 1.00 10.38 C +ATOM 1708 C MET E 231 11.674 -9.761 8.872 1.00 13.66 C +ATOM 1709 O MET E 231 11.539 -9.542 10.074 1.00 17.17 O +ATOM 1710 CB MET E 231 10.468 -8.611 7.046 1.00 9.45 C +ATOM 1711 CG MET E 231 10.060 -7.289 6.427 1.00 7.71 C +ATOM 1712 SD MET E 231 8.435 -7.327 5.636 1.00 9.88 S +ATOM 1713 CE MET E 231 8.610 -8.661 4.473 1.00 2.00 C +ATOM 1714 N ALA E 232 11.856 -11.006 8.444 1.00 7.95 N +ATOM 1715 CA ALA E 232 11.792 -12.135 9.334 1.00 8.70 C +ATOM 1716 C ALA E 232 12.990 -12.435 10.218 1.00 11.13 C +ATOM 1717 O ALA E 232 12.995 -13.407 10.989 1.00 14.00 O +ATOM 1718 CB ALA E 232 11.562 -13.388 8.568 1.00 6.23 C +ATOM 1719 N ALA E 233 14.066 -11.685 10.126 1.00 11.73 N +ATOM 1720 CA ALA E 233 15.280 -12.054 10.845 1.00 8.63 C +ATOM 1721 C ALA E 233 15.773 -10.957 11.728 1.00 9.65 C +ATOM 1722 O ALA E 233 16.531 -11.242 12.645 1.00 12.32 O +ATOM 1723 CB ALA E 233 16.399 -12.354 9.912 1.00 2.00 C +ATOM 1724 N GLY E 234 15.330 -9.727 11.438 1.00 12.86 N +ATOM 1725 CA GLY E 234 15.745 -8.508 12.130 1.00 12.88 C +ATOM 1726 C GLY E 234 16.956 -7.806 11.520 1.00 13.25 C +ATOM 1727 O GLY E 234 17.299 -6.714 11.967 1.00 15.50 O +ATOM 1728 N TYR E 235 17.620 -8.362 10.490 1.00 12.99 N +ATOM 1729 CA TYR E 235 18.838 -7.832 9.882 1.00 11.28 C +ATOM 1730 C TYR E 235 19.031 -8.277 8.423 1.00 9.73 C +ATOM 1731 O TYR E 235 18.615 -9.358 8.017 1.00 12.38 O +ATOM 1732 CB TYR E 235 20.077 -8.254 10.731 1.00 12.31 C +ATOM 1733 CG TYR E 235 20.208 -9.734 11.004 1.00 12.27 C +ATOM 1734 CD1 TYR E 235 20.730 -10.589 10.054 1.00 16.38 C +ATOM 1735 CD2 TYR E 235 19.778 -10.236 12.207 1.00 12.02 C +ATOM 1736 CE1 TYR E 235 20.819 -11.939 10.316 1.00 12.11 C +ATOM 1737 CE2 TYR E 235 19.865 -11.583 12.476 1.00 6.04 C +ATOM 1738 CZ TYR E 235 20.387 -12.422 11.532 1.00 10.09 C +ATOM 1739 OH TYR E 235 20.538 -13.762 11.836 1.00 14.99 O +ATOM 1740 N PRO E 236 19.652 -7.512 7.559 1.00 8.69 N +ATOM 1741 CA PRO E 236 19.698 -7.771 6.153 1.00 9.82 C +ATOM 1742 C PRO E 236 20.559 -9.007 5.883 1.00 12.22 C +ATOM 1743 O PRO E 236 21.489 -9.200 6.649 1.00 17.71 O +ATOM 1744 CB PRO E 236 20.247 -6.480 5.657 1.00 9.36 C +ATOM 1745 CG PRO E 236 20.361 -5.511 6.814 1.00 6.01 C +ATOM 1746 CD PRO E 236 20.662 -6.520 7.864 1.00 7.77 C +ATOM 1747 N PRO E 237 20.414 -9.855 4.859 1.00 10.25 N +ATOM 1748 CA PRO E 237 21.280 -10.999 4.638 1.00 10.55 C +ATOM 1749 C PRO E 237 22.750 -10.688 4.349 1.00 11.06 C +ATOM 1750 O PRO E 237 23.627 -11.554 4.399 1.00 12.80 O +ATOM 1751 CB PRO E 237 20.547 -11.737 3.528 1.00 9.89 C +ATOM 1752 CG PRO E 237 19.867 -10.685 2.704 1.00 4.73 C +ATOM 1753 CD PRO E 237 19.455 -9.690 3.771 1.00 9.90 C +ATOM 1754 N PHE E 238 23.025 -9.464 3.913 1.00 12.08 N +ATOM 1755 CA PHE E 238 24.394 -8.991 3.718 1.00 13.91 C +ATOM 1756 C PHE E 238 24.293 -7.599 4.310 1.00 14.84 C +ATOM 1757 O PHE E 238 23.366 -6.867 3.936 1.00 14.27 O +ATOM 1758 CB PHE E 238 24.796 -8.796 2.291 1.00 11.87 C +ATOM 1759 CG PHE E 238 24.153 -9.801 1.370 1.00 9.80 C +ATOM 1760 CD1 PHE E 238 24.719 -11.039 1.201 1.00 4.12 C +ATOM 1761 CD2 PHE E 238 22.976 -9.448 0.750 1.00 7.69 C +ATOM 1762 CE1 PHE E 238 24.086 -11.952 0.399 1.00 6.77 C +ATOM 1763 CE2 PHE E 238 22.349 -10.374 -0.056 1.00 10.31 C +ATOM 1764 CZ PHE E 238 22.905 -11.631 -0.229 1.00 8.34 C +ATOM 1765 N PHE E 239 25.182 -7.313 5.259 1.00 11.05 N +ATOM 1766 CA PHE E 239 25.254 -6.069 5.964 1.00 12.92 C +ATOM 1767 C PHE E 239 26.713 -5.908 6.421 1.00 13.75 C +ATOM 1768 O PHE E 239 27.363 -6.907 6.656 1.00 19.38 O +ATOM 1769 CB PHE E 239 24.262 -6.114 7.137 1.00 13.91 C +ATOM 1770 CG PHE E 239 24.571 -6.981 8.351 1.00 18.56 C +ATOM 1771 CD1 PHE E 239 25.495 -6.576 9.291 1.00 16.27 C +ATOM 1772 CD2 PHE E 239 23.919 -8.193 8.513 1.00 22.12 C +ATOM 1773 CE1 PHE E 239 25.750 -7.393 10.371 1.00 19.46 C +ATOM 1774 CE2 PHE E 239 24.181 -9.001 9.601 1.00 19.29 C +ATOM 1775 CZ PHE E 239 25.101 -8.599 10.534 1.00 18.94 C +ATOM 1776 N ALA E 240 27.324 -4.734 6.558 1.00 13.86 N +ATOM 1777 CA ALA E 240 28.700 -4.507 6.972 1.00 9.57 C +ATOM 1778 C ALA E 240 28.753 -3.023 7.275 1.00 13.25 C +ATOM 1779 O ALA E 240 27.716 -2.344 7.254 1.00 9.61 O +ATOM 1780 CB ALA E 240 29.642 -4.785 5.864 1.00 6.60 C +ATOM 1781 N ASP E 241 29.944 -2.506 7.569 1.00 18.85 N +ATOM 1782 CA ASP E 241 30.090 -1.093 7.897 1.00 25.14 C +ATOM 1783 C ASP E 241 30.258 -0.158 6.720 1.00 29.01 C +ATOM 1784 O ASP E 241 30.000 1.058 6.737 1.00 31.95 O +ATOM 1785 CB ASP E 241 31.281 -0.820 8.751 1.00 26.76 C +ATOM 1786 CG ASP E 241 31.111 -1.196 10.205 1.00 33.43 C +ATOM 1787 OD1 ASP E 241 30.109 -0.822 10.847 1.00 32.95 O +ATOM 1788 OD2 ASP E 241 32.038 -1.860 10.684 1.00 37.85 O +ATOM 1789 N GLN E 242 30.810 -0.758 5.691 1.00 30.18 N +ATOM 1790 CA GLN E 242 31.144 0.022 4.555 1.00 30.03 C +ATOM 1791 C GLN E 242 30.398 -0.640 3.454 1.00 26.69 C +ATOM 1792 O GLN E 242 30.425 -1.866 3.355 1.00 24.65 O +ATOM 1793 CB GLN E 242 32.630 -0.049 4.345 1.00 38.86 C +ATOM 1794 CG GLN E 242 33.466 0.624 5.451 1.00 49.43 C +ATOM 1795 CD GLN E 242 34.967 0.278 5.393 1.00 56.55 C +ATOM 1796 OE1 GLN E 242 35.667 0.492 4.395 1.00 59.45 O +ATOM 1797 NE2 GLN E 242 35.533 -0.300 6.454 1.00 57.77 N +ATOM 1798 N PRO E 243 29.787 0.148 2.575 1.00 25.34 N +ATOM 1799 CA PRO E 243 29.134 -0.293 1.348 1.00 23.62 C +ATOM 1800 C PRO E 243 29.919 -1.338 0.617 1.00 22.03 C +ATOM 1801 O PRO E 243 29.449 -2.428 0.350 1.00 23.06 O +ATOM 1802 CB PRO E 243 28.957 0.972 0.585 1.00 19.12 C +ATOM 1803 CG PRO E 243 28.516 1.893 1.670 1.00 19.81 C +ATOM 1804 CD PRO E 243 29.536 1.571 2.765 1.00 23.74 C +ATOM 1805 N ILE E 244 31.187 -1.012 0.504 1.00 21.28 N +ATOM 1806 CA ILE E 244 32.174 -1.795 -0.171 1.00 22.67 C +ATOM 1807 C ILE E 244 32.231 -3.189 0.368 1.00 22.58 C +ATOM 1808 O ILE E 244 32.234 -4.167 -0.348 1.00 24.09 O +ATOM 1809 CB ILE E 244 33.515 -1.163 0.001 1.00 25.33 C +ATOM 1810 CG1 ILE E 244 33.536 0.305 -0.427 1.00 30.28 C +ATOM 1811 CG2 ILE E 244 34.461 -1.947 -0.874 1.00 27.28 C +ATOM 1812 CD1 ILE E 244 33.287 1.373 0.677 1.00 31.30 C +ATOM 1813 N GLN E 245 32.204 -3.295 1.664 1.00 24.50 N +ATOM 1814 CA GLN E 245 32.292 -4.599 2.283 1.00 24.77 C +ATOM 1815 C GLN E 245 30.958 -5.357 2.160 1.00 21.08 C +ATOM 1816 O GLN E 245 30.920 -6.590 2.260 1.00 17.67 O +ATOM 1817 CB GLN E 245 32.677 -4.386 3.742 1.00 32.63 C +ATOM 1818 CG GLN E 245 33.873 -3.472 4.014 1.00 36.18 C +ATOM 1819 CD GLN E 245 34.013 -3.102 5.489 1.00 40.90 C +ATOM 1820 OE1 GLN E 245 33.063 -2.899 6.281 1.00 38.50 O +ATOM 1821 NE2 GLN E 245 35.290 -2.966 5.834 1.00 44.51 N +ATOM 1822 N ILE E 246 29.865 -4.598 1.956 1.00 17.20 N +ATOM 1823 CA ILE E 246 28.545 -5.148 1.719 1.00 13.29 C +ATOM 1824 C ILE E 246 28.539 -5.752 0.319 1.00 15.69 C +ATOM 1825 O ILE E 246 28.285 -6.963 0.180 1.00 16.87 O +ATOM 1826 CB ILE E 246 27.469 -4.064 1.809 1.00 9.82 C +ATOM 1827 CG1 ILE E 246 27.495 -3.484 3.184 1.00 3.10 C +ATOM 1828 CG2 ILE E 246 26.097 -4.651 1.472 1.00 8.35 C +ATOM 1829 CD1 ILE E 246 26.865 -2.115 3.234 1.00 2.00 C +ATOM 1830 N TYR E 247 28.855 -4.978 -0.735 1.00 14.63 N +ATOM 1831 CA TYR E 247 28.840 -5.483 -2.108 1.00 12.36 C +ATOM 1832 C TYR E 247 29.752 -6.675 -2.261 1.00 12.41 C +ATOM 1833 O TYR E 247 29.438 -7.598 -2.996 1.00 15.95 O +ATOM 1834 CB TYR E 247 29.314 -4.473 -3.100 1.00 9.12 C +ATOM 1835 CG TYR E 247 28.708 -3.098 -3.007 1.00 8.14 C +ATOM 1836 CD1 TYR E 247 27.362 -2.845 -2.824 1.00 8.77 C +ATOM 1837 CD2 TYR E 247 29.591 -2.083 -3.145 1.00 8.51 C +ATOM 1838 CE1 TYR E 247 26.901 -1.550 -2.785 1.00 7.41 C +ATOM 1839 CE2 TYR E 247 29.150 -0.795 -3.108 1.00 13.51 C +ATOM 1840 CZ TYR E 247 27.819 -0.538 -2.931 1.00 14.63 C +ATOM 1841 OH TYR E 247 27.472 0.796 -2.916 1.00 19.91 O +ATOM 1842 N GLU E 248 30.860 -6.726 -1.557 1.00 15.15 N +ATOM 1843 CA GLU E 248 31.706 -7.898 -1.586 1.00 20.77 C +ATOM 1844 C GLU E 248 30.911 -9.117 -1.138 1.00 19.63 C +ATOM 1845 O GLU E 248 30.992 -10.156 -1.794 1.00 20.45 O +ATOM 1846 CB GLU E 248 32.883 -7.644 -0.672 1.00 27.86 C +ATOM 1847 CG GLU E 248 33.930 -8.739 -0.589 1.00 41.09 C +ATOM 1848 CD GLU E 248 35.283 -8.179 -0.147 1.00 50.64 C +ATOM 1849 OE1 GLU E 248 35.525 -8.048 1.065 1.00 54.90 O +ATOM 1850 OE2 GLU E 248 36.089 -7.868 -1.037 1.00 54.67 O +ATOM 1851 N LYS E 249 30.085 -8.997 -0.090 1.00 16.39 N +ATOM 1852 CA LYS E 249 29.316 -10.123 0.375 1.00 15.45 C +ATOM 1853 C LYS E 249 28.183 -10.455 -0.603 1.00 16.32 C +ATOM 1854 O LYS E 249 28.107 -11.621 -0.987 1.00 16.37 O +ATOM 1855 CB LYS E 249 28.808 -9.799 1.781 1.00 12.51 C +ATOM 1856 N ILE E 250 27.364 -9.516 -1.128 1.00 18.58 N +ATOM 1857 CA ILE E 250 26.273 -9.716 -2.126 1.00 15.91 C +ATOM 1858 C ILE E 250 26.629 -10.688 -3.285 1.00 15.94 C +ATOM 1859 O ILE E 250 26.015 -11.727 -3.617 1.00 13.14 O +ATOM 1860 CB ILE E 250 25.880 -8.296 -2.732 1.00 15.59 C +ATOM 1861 CG1 ILE E 250 25.209 -7.299 -1.719 1.00 12.13 C +ATOM 1862 CG2 ILE E 250 24.968 -8.600 -3.932 1.00 15.72 C +ATOM 1863 CD1 ILE E 250 23.634 -7.145 -1.682 1.00 9.08 C +ATOM 1864 N VAL E 251 27.736 -10.254 -3.882 1.00 16.60 N +ATOM 1865 CA VAL E 251 28.272 -10.871 -5.068 1.00 17.53 C +ATOM 1866 C VAL E 251 28.688 -12.316 -4.877 1.00 21.26 C +ATOM 1867 O VAL E 251 28.503 -13.113 -5.800 1.00 23.37 O +ATOM 1868 CB VAL E 251 29.340 -9.873 -5.420 1.00 13.76 C +ATOM 1869 CG1 VAL E 251 30.646 -10.478 -5.728 1.00 13.05 C +ATOM 1870 CG2 VAL E 251 28.798 -9.108 -6.594 1.00 9.45 C +ATOM 1871 N SER E 252 29.227 -12.666 -3.693 1.00 23.59 N +ATOM 1872 CA SER E 252 29.652 -14.040 -3.425 1.00 24.52 C +ATOM 1873 C SER E 252 28.446 -14.937 -3.339 1.00 25.84 C +ATOM 1874 O SER E 252 28.510 -16.120 -3.666 1.00 26.04 O +ATOM 1875 CB SER E 252 30.420 -14.155 -2.113 1.00 23.42 C +ATOM 1876 OG SER E 252 29.653 -13.939 -0.938 1.00 24.04 O +ATOM 1877 N GLY E 253 27.378 -14.294 -2.835 1.00 29.41 N +ATOM 1878 CA GLY E 253 26.061 -14.896 -2.682 1.00 33.47 C +ATOM 1879 C GLY E 253 26.152 -16.244 -1.981 1.00 34.85 C +ATOM 1880 O GLY E 253 25.907 -17.323 -2.539 1.00 35.38 O +ATOM 1881 N LYS E 254 26.671 -16.148 -0.759 1.00 34.43 N +ATOM 1882 CA LYS E 254 26.709 -17.270 0.157 1.00 32.22 C +ATOM 1883 C LYS E 254 25.751 -16.643 1.154 1.00 31.24 C +ATOM 1884 O LYS E 254 26.044 -15.530 1.616 1.00 32.99 O +ATOM 1885 CB LYS E 254 28.124 -17.451 0.742 1.00 30.08 C +ATOM 1886 N VAL E 255 24.569 -17.222 1.417 1.00 28.59 N +ATOM 1887 CA VAL E 255 23.659 -16.638 2.396 1.00 22.97 C +ATOM 1888 C VAL E 255 23.597 -17.638 3.540 1.00 23.77 C +ATOM 1889 O VAL E 255 23.586 -18.853 3.285 1.00 19.94 O +ATOM 1890 CB VAL E 255 22.202 -16.477 1.954 1.00 18.42 C +ATOM 1891 CG1 VAL E 255 21.837 -15.076 2.271 1.00 17.43 C +ATOM 1892 CG2 VAL E 255 21.958 -16.789 0.512 1.00 21.40 C +ATOM 1893 N ARG E 256 23.572 -17.138 4.791 1.00 25.25 N +ATOM 1894 CA ARG E 256 23.331 -17.991 5.967 1.00 26.92 C +ATOM 1895 C ARG E 256 21.923 -17.701 6.505 1.00 25.51 C +ATOM 1896 O ARG E 256 21.549 -16.526 6.504 1.00 27.93 O +ATOM 1897 CB ARG E 256 24.339 -17.696 7.038 1.00 28.74 C +ATOM 1898 CG ARG E 256 25.647 -18.410 6.752 1.00 32.19 C +ATOM 1899 CD ARG E 256 26.337 -18.524 8.129 1.00 36.92 C +ATOM 1900 NE ARG E 256 26.974 -19.875 8.363 1.00 45.79 N +ATOM 1901 CZ ARG E 256 27.603 -20.148 9.597 1.00 49.13 C +ATOM 1902 NH1 ARG E 256 27.599 -19.200 10.615 1.00 54.06 N +ATOM 1903 NH2 ARG E 256 28.511 -21.195 9.811 1.00 49.41 N +ATOM 1904 N PHE E 257 21.081 -18.636 6.935 1.00 20.03 N +ATOM 1905 CA PHE E 257 19.736 -18.324 7.394 1.00 18.64 C +ATOM 1906 C PHE E 257 19.561 -18.513 8.893 1.00 21.52 C +ATOM 1907 O PHE E 257 20.134 -19.463 9.437 1.00 26.86 O +ATOM 1908 CB PHE E 257 18.738 -19.205 6.736 1.00 15.02 C +ATOM 1909 CG PHE E 257 18.538 -18.805 5.322 1.00 17.97 C +ATOM 1910 CD1 PHE E 257 17.904 -17.625 5.038 1.00 23.22 C +ATOM 1911 CD2 PHE E 257 18.978 -19.618 4.310 1.00 21.02 C +ATOM 1912 CE1 PHE E 257 17.709 -17.250 3.721 1.00 26.44 C +ATOM 1913 CE2 PHE E 257 18.779 -19.246 2.991 1.00 22.22 C +ATOM 1914 CZ PHE E 257 18.143 -18.060 2.687 1.00 25.96 C +ATOM 1915 N PRO E 258 18.813 -17.725 9.647 1.00 18.90 N +ATOM 1916 CA PRO E 258 18.470 -18.012 11.031 1.00 20.14 C +ATOM 1917 C PRO E 258 17.751 -19.315 11.274 1.00 23.38 C +ATOM 1918 O PRO E 258 16.836 -19.634 10.516 1.00 24.54 O +ATOM 1919 CB PRO E 258 17.647 -16.852 11.501 1.00 19.34 C +ATOM 1920 CG PRO E 258 17.379 -16.089 10.241 1.00 19.54 C +ATOM 1921 CD PRO E 258 18.574 -16.347 9.347 1.00 19.10 C +ATOM 1922 N SER E 259 18.055 -20.010 12.382 1.00 25.65 N +ATOM 1923 CA SER E 259 17.455 -21.302 12.629 1.00 27.79 C +ATOM 1924 C SER E 259 15.941 -21.223 12.720 1.00 30.17 C +ATOM 1925 O SER E 259 15.299 -22.246 12.474 1.00 35.57 O +ATOM 1926 CB SER E 259 18.019 -21.926 13.925 1.00 31.12 C +ATOM 1927 OG SER E 259 17.906 -21.126 15.101 1.00 34.83 O +ATOM 1928 N HIS E 260 15.322 -20.051 13.010 1.00 28.49 N +ATOM 1929 CA HIS E 260 13.853 -19.947 13.098 1.00 26.24 C +ATOM 1930 C HIS E 260 13.128 -19.814 11.746 1.00 26.01 C +ATOM 1931 O HIS E 260 11.970 -19.374 11.696 1.00 28.92 O +ATOM 1932 CB HIS E 260 13.437 -18.747 14.002 1.00 20.74 C +ATOM 1933 CG HIS E 260 14.026 -17.399 13.610 1.00 17.95 C +ATOM 1934 ND1 HIS E 260 13.460 -16.431 12.888 1.00 17.15 N +ATOM 1935 CD2 HIS E 260 15.283 -16.982 13.992 1.00 13.65 C +ATOM 1936 CE1 HIS E 260 14.328 -15.452 12.829 1.00 16.23 C +ATOM 1937 NE2 HIS E 260 15.417 -15.791 13.493 1.00 16.44 N +ATOM 1938 N PHE E 261 13.805 -20.116 10.630 1.00 24.60 N +ATOM 1939 CA PHE E 261 13.245 -19.963 9.305 1.00 21.05 C +ATOM 1940 C PHE E 261 12.720 -21.320 8.901 1.00 21.70 C +ATOM 1941 O PHE E 261 13.362 -22.355 9.058 1.00 22.18 O +ATOM 1942 CB PHE E 261 14.318 -19.469 8.293 1.00 14.42 C +ATOM 1943 CG PHE E 261 14.470 -17.945 8.230 1.00 10.52 C +ATOM 1944 CD1 PHE E 261 14.044 -17.122 9.271 1.00 8.68 C +ATOM 1945 CD2 PHE E 261 15.086 -17.375 7.135 1.00 8.92 C +ATOM 1946 CE1 PHE E 261 14.241 -15.758 9.217 1.00 5.81 C +ATOM 1947 CE2 PHE E 261 15.274 -16.009 7.093 1.00 8.54 C +ATOM 1948 CZ PHE E 261 14.858 -15.194 8.128 1.00 5.75 C +ATOM 1949 N SER E 262 11.482 -21.304 8.435 1.00 21.56 N +ATOM 1950 CA SER E 262 10.890 -22.512 7.960 1.00 21.07 C +ATOM 1951 C SER E 262 11.578 -22.839 6.680 1.00 22.48 C +ATOM 1952 O SER E 262 12.010 -21.973 5.920 1.00 23.42 O +ATOM 1953 CB SER E 262 9.438 -22.318 7.700 1.00 21.97 C +ATOM 1954 OG SER E 262 9.238 -21.297 6.762 1.00 21.46 O +ATOM 1955 N SER E 263 11.583 -24.134 6.470 1.00 26.80 N +ATOM 1956 CA SER E 263 12.147 -24.800 5.300 1.00 28.09 C +ATOM 1957 C SER E 263 11.657 -24.094 4.056 1.00 25.84 C +ATOM 1958 O SER E 263 12.415 -23.608 3.231 1.00 23.95 O +ATOM 1959 CB SER E 263 11.696 -26.265 5.376 1.00 32.73 C +ATOM 1960 OG SER E 263 11.345 -26.645 6.731 1.00 38.35 O +ATOM 1961 N ASP E 264 10.350 -23.904 4.059 1.00 24.29 N +ATOM 1962 CA ASP E 264 9.687 -23.216 2.991 1.00 24.36 C +ATOM 1963 C ASP E 264 10.207 -21.826 2.791 1.00 20.85 C +ATOM 1964 O ASP E 264 10.480 -21.486 1.648 1.00 23.74 O +ATOM 1965 CB ASP E 264 8.216 -23.131 3.275 1.00 28.56 C +ATOM 1966 CG ASP E 264 7.483 -24.455 3.412 1.00 29.68 C +ATOM 1967 OD1 ASP E 264 7.958 -25.487 2.939 1.00 29.97 O +ATOM 1968 OD2 ASP E 264 6.402 -24.435 3.996 1.00 36.78 O +ATOM 1969 N LEU E 265 10.343 -21.034 3.838 1.00 17.04 N +ATOM 1970 CA LEU E 265 10.838 -19.696 3.674 1.00 16.98 C +ATOM 1971 C LEU E 265 12.275 -19.764 3.230 1.00 15.83 C +ATOM 1972 O LEU E 265 12.688 -18.950 2.415 1.00 16.06 O +ATOM 1973 CB LEU E 265 10.816 -18.879 4.959 1.00 15.86 C +ATOM 1974 CG LEU E 265 11.498 -17.505 4.897 1.00 14.91 C +ATOM 1975 CD1 LEU E 265 10.719 -16.646 3.964 1.00 13.80 C +ATOM 1976 CD2 LEU E 265 11.556 -16.843 6.229 1.00 15.34 C +ATOM 1977 N LYS E 266 13.043 -20.731 3.693 1.00 16.34 N +ATOM 1978 CA LYS E 266 14.435 -20.776 3.315 1.00 16.53 C +ATOM 1979 C LYS E 266 14.457 -21.159 1.846 1.00 19.03 C +ATOM 1980 O LYS E 266 15.172 -20.494 1.103 1.00 21.28 O +ATOM 1981 CB LYS E 266 15.160 -21.771 4.214 1.00 14.82 C +ATOM 1982 N ASP E 267 13.586 -22.050 1.339 1.00 21.85 N +ATOM 1983 CA ASP E 267 13.486 -22.387 -0.084 1.00 23.76 C +ATOM 1984 C ASP E 267 13.001 -21.173 -0.866 1.00 21.83 C +ATOM 1985 O ASP E 267 13.446 -20.963 -1.992 1.00 23.43 O +ATOM 1986 CB ASP E 267 12.483 -23.533 -0.347 1.00 29.55 C +ATOM 1987 CG ASP E 267 12.392 -24.098 -1.787 1.00 35.06 C +ATOM 1988 OD1 ASP E 267 13.417 -24.397 -2.426 1.00 35.64 O +ATOM 1989 OD2 ASP E 267 11.265 -24.259 -2.279 1.00 40.00 O +ATOM 1990 N LEU E 268 12.098 -20.331 -0.356 1.00 17.69 N +ATOM 1991 CA LEU E 268 11.687 -19.154 -1.101 1.00 14.16 C +ATOM 1992 C LEU E 268 12.913 -18.229 -1.271 1.00 12.75 C +ATOM 1993 O LEU E 268 13.322 -17.904 -2.383 1.00 10.78 O +ATOM 1994 CB LEU E 268 10.568 -18.472 -0.332 1.00 10.13 C +ATOM 1995 CG LEU E 268 9.459 -17.728 -1.061 1.00 10.64 C +ATOM 1996 CD1 LEU E 268 9.108 -16.597 -0.142 1.00 8.32 C +ATOM 1997 CD2 LEU E 268 9.840 -17.145 -2.418 1.00 6.42 C +ATOM 1998 N LEU E 269 13.606 -17.870 -0.196 1.00 12.82 N +ATOM 1999 CA LEU E 269 14.721 -16.937 -0.243 1.00 11.53 C +ATOM 2000 C LEU E 269 15.799 -17.495 -1.074 1.00 11.38 C +ATOM 2001 O LEU E 269 16.419 -16.788 -1.844 1.00 11.84 O +ATOM 2002 CB LEU E 269 15.295 -16.661 1.120 1.00 6.23 C +ATOM 2003 CG LEU E 269 14.561 -15.646 2.010 1.00 11.88 C +ATOM 2004 CD1 LEU E 269 13.204 -15.263 1.499 1.00 5.79 C +ATOM 2005 CD2 LEU E 269 14.357 -16.274 3.361 1.00 13.15 C +ATOM 2006 N ARG E 270 15.919 -18.802 -0.998 1.00 13.63 N +ATOM 2007 CA ARG E 270 16.944 -19.460 -1.739 1.00 14.22 C +ATOM 2008 C ARG E 270 16.681 -19.240 -3.221 1.00 14.45 C +ATOM 2009 O ARG E 270 17.604 -19.152 -4.028 1.00 13.26 O +ATOM 2010 CB ARG E 270 16.904 -20.914 -1.345 1.00 16.49 C +ATOM 2011 N ASN E 271 15.416 -19.076 -3.575 1.00 14.68 N +ATOM 2012 CA ASN E 271 15.052 -18.867 -4.949 1.00 16.14 C +ATOM 2013 C ASN E 271 15.122 -17.461 -5.503 1.00 16.79 C +ATOM 2014 O ASN E 271 15.317 -17.198 -6.705 1.00 17.38 O +ATOM 2015 CB ASN E 271 13.665 -19.407 -5.145 1.00 18.46 C +ATOM 2016 CG ASN E 271 13.672 -20.867 -5.569 1.00 22.85 C +ATOM 2017 OD1 ASN E 271 12.857 -21.654 -5.087 1.00 28.61 O +ATOM 2018 ND2 ASN E 271 14.514 -21.346 -6.484 1.00 22.06 N +ATOM 2019 N LEU E 272 14.849 -16.559 -4.584 1.00 17.47 N +ATOM 2020 CA LEU E 272 14.849 -15.148 -4.891 1.00 15.36 C +ATOM 2021 C LEU E 272 16.288 -14.689 -4.803 1.00 15.30 C +ATOM 2022 O LEU E 272 16.723 -14.136 -5.801 1.00 20.13 O +ATOM 2023 CB LEU E 272 13.956 -14.416 -3.902 1.00 9.80 C +ATOM 2024 CG LEU E 272 12.499 -14.159 -4.236 1.00 11.32 C +ATOM 2025 CD1 LEU E 272 11.842 -15.364 -4.752 1.00 18.55 C +ATOM 2026 CD2 LEU E 272 11.689 -13.935 -2.993 1.00 9.67 C +ATOM 2027 N LEU E 273 17.129 -14.884 -3.780 1.00 15.14 N +ATOM 2028 CA LEU E 273 18.500 -14.360 -3.759 1.00 16.75 C +ATOM 2029 C LEU E 273 19.455 -15.311 -4.461 1.00 17.74 C +ATOM 2030 O LEU E 273 20.458 -15.807 -3.964 1.00 20.58 O +ATOM 2031 CB LEU E 273 18.983 -14.170 -2.340 1.00 13.43 C +ATOM 2032 CG LEU E 273 18.148 -13.387 -1.407 1.00 7.41 C +ATOM 2033 CD1 LEU E 273 18.625 -13.604 0.001 1.00 3.55 C +ATOM 2034 CD2 LEU E 273 18.218 -11.961 -1.812 1.00 5.32 C +ATOM 2035 N GLN E 274 19.167 -15.461 -5.717 1.00 19.73 N +ATOM 2036 CA GLN E 274 19.773 -16.404 -6.607 1.00 19.87 C +ATOM 2037 C GLN E 274 20.630 -15.533 -7.480 1.00 19.88 C +ATOM 2038 O GLN E 274 20.072 -14.640 -8.109 1.00 21.71 O +ATOM 2039 CB GLN E 274 18.613 -17.041 -7.339 1.00 25.05 C +ATOM 2040 CG GLN E 274 18.923 -17.805 -8.589 1.00 25.78 C +ATOM 2041 CD GLN E 274 20.029 -18.803 -8.364 1.00 25.72 C +ATOM 2042 OE1 GLN E 274 21.154 -18.601 -8.811 1.00 29.96 O +ATOM 2043 NE2 GLN E 274 19.828 -19.868 -7.621 1.00 26.89 N +ATOM 2044 N VAL E 275 21.939 -15.777 -7.560 1.00 19.16 N +ATOM 2045 CA VAL E 275 22.881 -14.972 -8.343 1.00 20.28 C +ATOM 2046 C VAL E 275 22.766 -15.045 -9.888 1.00 22.90 C +ATOM 2047 O VAL E 275 23.097 -14.143 -10.684 1.00 20.83 O +ATOM 2048 CB VAL E 275 24.260 -15.395 -7.798 1.00 18.43 C +ATOM 2049 CG1 VAL E 275 25.418 -15.064 -8.723 1.00 24.09 C +ATOM 2050 CG2 VAL E 275 24.502 -14.566 -6.560 1.00 18.75 C +ATOM 2051 N ASP E 276 22.223 -16.175 -10.290 1.00 24.44 N +ATOM 2052 CA ASP E 276 22.061 -16.496 -11.657 1.00 25.90 C +ATOM 2053 C ASP E 276 20.625 -16.182 -12.011 1.00 26.44 C +ATOM 2054 O ASP E 276 19.698 -16.958 -11.780 1.00 23.93 O +ATOM 2055 CB ASP E 276 22.376 -17.944 -11.778 1.00 32.87 C +ATOM 2056 CG ASP E 276 22.803 -18.446 -13.145 1.00 40.77 C +ATOM 2057 OD1 ASP E 276 23.028 -17.602 -14.032 1.00 44.19 O +ATOM 2058 OD2 ASP E 276 22.918 -19.681 -13.299 1.00 40.06 O +ATOM 2059 N LEU E 277 20.481 -14.990 -12.578 1.00 25.85 N +ATOM 2060 CA LEU E 277 19.240 -14.498 -13.149 1.00 26.72 C +ATOM 2061 C LEU E 277 18.423 -15.539 -13.848 1.00 29.41 C +ATOM 2062 O LEU E 277 17.214 -15.581 -13.679 1.00 32.74 O +ATOM 2063 CB LEU E 277 19.424 -13.472 -14.195 1.00 20.70 C +ATOM 2064 CG LEU E 277 20.020 -12.234 -13.776 1.00 16.47 C +ATOM 2065 CD1 LEU E 277 21.250 -12.030 -14.595 1.00 20.25 C +ATOM 2066 CD2 LEU E 277 19.042 -11.116 -13.981 1.00 24.01 C +ATOM 2067 N THR E 278 19.075 -16.332 -14.665 1.00 31.15 N +ATOM 2068 CA THR E 278 18.454 -17.438 -15.377 1.00 35.68 C +ATOM 2069 C THR E 278 17.628 -18.359 -14.495 1.00 35.98 C +ATOM 2070 O THR E 278 16.559 -18.844 -14.855 1.00 37.26 O +ATOM 2071 CB THR E 278 19.556 -18.239 -16.042 1.00 39.87 C +ATOM 2072 OG1 THR E 278 20.570 -18.299 -15.035 1.00 44.71 O +ATOM 2073 CG2 THR E 278 20.109 -17.640 -17.340 1.00 44.30 C +ATOM 2074 N LYS E 279 18.193 -18.672 -13.344 1.00 35.27 N +ATOM 2075 CA LYS E 279 17.458 -19.462 -12.401 1.00 32.74 C +ATOM 2076 C LYS E 279 16.755 -18.579 -11.317 1.00 30.31 C +ATOM 2077 O LYS E 279 16.300 -19.132 -10.302 1.00 33.71 O +ATOM 2078 CB LYS E 279 18.514 -20.449 -11.893 1.00 31.92 C +ATOM 2079 N ARG E 280 16.589 -17.243 -11.402 1.00 21.45 N +ATOM 2080 CA ARG E 280 15.971 -16.507 -10.328 1.00 15.31 C +ATOM 2081 C ARG E 280 14.460 -16.436 -10.414 1.00 13.71 C +ATOM 2082 O ARG E 280 13.883 -15.940 -11.377 1.00 11.75 O +ATOM 2083 CB ARG E 280 16.491 -15.117 -10.306 1.00 13.79 C +ATOM 2084 CG ARG E 280 15.959 -14.318 -9.135 1.00 10.07 C +ATOM 2085 CD ARG E 280 16.512 -12.923 -9.007 1.00 6.13 C +ATOM 2086 NE ARG E 280 17.954 -12.964 -9.045 1.00 3.63 N +ATOM 2087 CZ ARG E 280 18.655 -11.920 -9.488 1.00 2.81 C +ATOM 2088 NH1 ARG E 280 18.082 -10.774 -9.917 1.00 2.80 N +ATOM 2089 NH2 ARG E 280 19.967 -12.037 -9.515 1.00 2.00 N +ATOM 2090 N PHE E 281 13.791 -16.862 -9.353 1.00 12.21 N +ATOM 2091 CA PHE E 281 12.359 -16.720 -9.202 1.00 10.13 C +ATOM 2092 C PHE E 281 11.841 -15.366 -9.602 1.00 12.47 C +ATOM 2093 O PHE E 281 12.475 -14.375 -9.309 1.00 11.96 O +ATOM 2094 CB PHE E 281 12.012 -16.907 -7.816 1.00 9.46 C +ATOM 2095 CG PHE E 281 11.351 -18.218 -7.569 1.00 13.47 C +ATOM 2096 CD1 PHE E 281 11.679 -19.348 -8.318 1.00 13.95 C +ATOM 2097 CD2 PHE E 281 10.396 -18.269 -6.573 1.00 15.99 C +ATOM 2098 CE1 PHE E 281 11.037 -20.538 -8.068 1.00 11.23 C +ATOM 2099 CE2 PHE E 281 9.756 -19.472 -6.328 1.00 13.66 C +ATOM 2100 CZ PHE E 281 10.077 -20.591 -7.072 1.00 13.72 C +ATOM 2101 N GLY E 282 10.725 -15.288 -10.299 1.00 16.15 N +ATOM 2102 CA GLY E 282 10.237 -14.034 -10.815 1.00 17.42 C +ATOM 2103 C GLY E 282 10.853 -13.764 -12.205 1.00 23.95 C +ATOM 2104 O GLY E 282 10.211 -13.164 -13.085 1.00 22.60 O +ATOM 2105 N ASN E 283 12.110 -14.174 -12.452 1.00 27.02 N +ATOM 2106 CA ASN E 283 12.735 -13.991 -13.774 1.00 32.04 C +ATOM 2107 C ASN E 283 12.530 -15.129 -14.802 1.00 33.56 C +ATOM 2108 O ASN E 283 12.891 -15.047 -15.982 1.00 36.86 O +ATOM 2109 CB ASN E 283 14.232 -13.771 -13.588 1.00 30.63 C +ATOM 2110 CG ASN E 283 14.813 -12.909 -14.696 1.00 30.44 C +ATOM 2111 OD1 ASN E 283 14.198 -11.958 -15.183 1.00 32.75 O +ATOM 2112 ND2 ASN E 283 16.048 -13.153 -15.091 1.00 27.57 N +ATOM 2113 N LEU E 284 11.929 -16.228 -14.335 1.00 33.41 N +ATOM 2114 CA LEU E 284 11.666 -17.441 -15.075 1.00 29.00 C +ATOM 2115 C LEU E 284 10.378 -17.401 -15.885 1.00 30.14 C +ATOM 2116 O LEU E 284 9.561 -16.497 -15.759 1.00 30.53 O +ATOM 2117 CB LEU E 284 11.546 -18.591 -14.132 1.00 27.06 C +ATOM 2118 CG LEU E 284 12.519 -18.798 -13.050 1.00 25.45 C +ATOM 2119 CD1 LEU E 284 12.171 -20.114 -12.423 1.00 30.67 C +ATOM 2120 CD2 LEU E 284 13.915 -18.874 -13.556 1.00 23.13 C +ATOM 2121 N LYS E 285 10.168 -18.497 -16.628 1.00 31.35 N +ATOM 2122 CA LYS E 285 9.022 -18.751 -17.469 1.00 32.15 C +ATOM 2123 C LYS E 285 7.648 -18.541 -16.828 1.00 35.34 C +ATOM 2124 O LYS E 285 6.859 -17.815 -17.423 1.00 38.07 O +ATOM 2125 CB LYS E 285 9.176 -20.158 -17.972 1.00 33.00 C +ATOM 2126 N ASN E 286 7.228 -19.063 -15.663 1.00 36.69 N +ATOM 2127 CA ASN E 286 5.910 -18.691 -15.115 1.00 37.26 C +ATOM 2128 C ASN E 286 5.849 -17.299 -14.496 1.00 34.83 C +ATOM 2129 O ASN E 286 4.880 -16.997 -13.783 1.00 35.69 O +ATOM 2130 CB ASN E 286 5.443 -19.634 -14.008 1.00 45.29 C +ATOM 2131 CG ASN E 286 5.099 -21.068 -14.374 1.00 51.40 C +ATOM 2132 OD1 ASN E 286 5.469 -21.504 -15.475 1.00 50.84 O +ATOM 2133 ND2 ASN E 286 4.471 -21.727 -13.526 1.00 55.29 N +ATOM 2134 N GLY E 287 6.844 -16.434 -14.717 1.00 30.90 N +ATOM 2135 CA GLY E 287 6.917 -15.125 -14.126 1.00 27.19 C +ATOM 2136 C GLY E 287 6.763 -15.214 -12.615 1.00 23.63 C +ATOM 2137 O GLY E 287 7.287 -16.061 -11.903 1.00 19.67 O +ATOM 2138 N VAL E 288 5.830 -14.377 -12.218 1.00 22.78 N +ATOM 2139 CA VAL E 288 5.482 -14.153 -10.844 1.00 21.85 C +ATOM 2140 C VAL E 288 4.609 -15.256 -10.321 1.00 22.82 C +ATOM 2141 O VAL E 288 4.381 -15.352 -9.109 1.00 28.28 O +ATOM 2142 CB VAL E 288 4.817 -12.757 -10.761 1.00 18.15 C +ATOM 2143 CG1 VAL E 288 3.561 -12.699 -11.554 1.00 22.96 C +ATOM 2144 CG2 VAL E 288 4.417 -12.462 -9.346 1.00 22.92 C +ATOM 2145 N ASN E 289 4.169 -16.168 -11.162 1.00 20.85 N +ATOM 2146 CA ASN E 289 3.393 -17.246 -10.607 1.00 19.07 C +ATOM 2147 C ASN E 289 4.313 -18.215 -9.951 1.00 17.30 C +ATOM 2148 O ASN E 289 3.853 -18.917 -9.065 1.00 18.55 O +ATOM 2149 CB ASN E 289 2.604 -17.994 -11.622 1.00 19.95 C +ATOM 2150 CG ASN E 289 1.696 -16.948 -12.159 1.00 26.06 C +ATOM 2151 OD1 ASN E 289 0.846 -16.362 -11.490 1.00 29.12 O +ATOM 2152 ND2 ASN E 289 2.005 -16.614 -13.394 1.00 28.62 N +ATOM 2153 N ASP E 290 5.605 -18.294 -10.236 1.00 18.25 N +ATOM 2154 CA ASP E 290 6.446 -19.244 -9.497 1.00 22.62 C +ATOM 2155 C ASP E 290 6.499 -18.806 -8.020 1.00 24.49 C +ATOM 2156 O ASP E 290 6.777 -19.628 -7.145 1.00 27.03 O +ATOM 2157 CB ASP E 290 7.911 -19.290 -9.988 1.00 27.05 C +ATOM 2158 CG ASP E 290 8.240 -19.611 -11.455 1.00 32.76 C +ATOM 2159 OD1 ASP E 290 7.763 -20.646 -11.947 1.00 32.51 O +ATOM 2160 OD2 ASP E 290 8.992 -18.821 -12.078 1.00 35.53 O +ATOM 2161 N ILE E 291 6.213 -17.518 -7.738 1.00 23.78 N +ATOM 2162 CA ILE E 291 6.261 -16.918 -6.427 1.00 23.14 C +ATOM 2163 C ILE E 291 4.933 -17.084 -5.761 1.00 25.96 C +ATOM 2164 O ILE E 291 4.889 -17.579 -4.642 1.00 27.54 O +ATOM 2165 CB ILE E 291 6.573 -15.424 -6.524 1.00 22.68 C +ATOM 2166 CG1 ILE E 291 7.958 -15.253 -7.149 1.00 23.30 C +ATOM 2167 CG2 ILE E 291 6.432 -14.788 -5.155 1.00 17.59 C +ATOM 2168 CD1 ILE E 291 8.583 -13.862 -7.057 1.00 18.47 C +ATOM 2169 N LYS E 292 3.858 -16.671 -6.438 1.00 28.26 N +ATOM 2170 CA LYS E 292 2.519 -16.783 -5.878 1.00 29.25 C +ATOM 2171 C LYS E 292 2.088 -18.182 -5.502 1.00 33.20 C +ATOM 2172 O LYS E 292 1.144 -18.337 -4.729 1.00 38.57 O +ATOM 2173 CB LYS E 292 1.470 -16.274 -6.826 1.00 25.00 C +ATOM 2174 CG LYS E 292 1.643 -14.828 -7.202 1.00 22.11 C +ATOM 2175 CD LYS E 292 0.320 -14.431 -7.765 1.00 16.78 C +ATOM 2176 CE LYS E 292 0.489 -13.166 -8.531 1.00 17.95 C +ATOM 2177 NZ LYS E 292 -0.828 -12.740 -8.957 1.00 22.81 N +ATOM 2178 N ASN E 293 2.764 -19.201 -6.050 1.00 36.18 N +ATOM 2179 CA ASN E 293 2.460 -20.625 -5.832 1.00 37.53 C +ATOM 2180 C ASN E 293 3.448 -21.398 -4.984 1.00 38.49 C +ATOM 2181 O ASN E 293 3.253 -22.599 -4.749 1.00 40.88 O +ATOM 2182 CB ASN E 293 2.378 -21.406 -7.150 1.00 35.81 C +ATOM 2183 CG ASN E 293 1.235 -20.964 -8.045 1.00 35.50 C +ATOM 2184 OD1 ASN E 293 0.097 -20.738 -7.621 1.00 33.10 O +ATOM 2185 ND2 ASN E 293 1.520 -20.789 -9.331 1.00 38.33 N +ATOM 2186 N HIS E 294 4.538 -20.760 -4.532 1.00 38.89 N +ATOM 2187 CA HIS E 294 5.590 -21.438 -3.782 1.00 39.13 C +ATOM 2188 C HIS E 294 5.040 -21.768 -2.415 1.00 40.48 C +ATOM 2189 O HIS E 294 4.330 -20.957 -1.827 1.00 39.82 O +ATOM 2190 CB HIS E 294 6.787 -20.521 -3.668 1.00 35.08 C +ATOM 2191 CG HIS E 294 7.909 -21.039 -2.781 1.00 33.40 C +ATOM 2192 ND1 HIS E 294 7.870 -21.421 -1.507 1.00 28.83 N +ATOM 2193 CD2 HIS E 294 9.213 -21.122 -3.199 1.00 33.83 C +ATOM 2194 CE1 HIS E 294 9.100 -21.727 -1.145 1.00 31.49 C +ATOM 2195 NE2 HIS E 294 9.897 -21.542 -2.168 1.00 32.39 N +ATOM 2196 N LYS E 295 5.456 -22.919 -1.886 1.00 43.34 N +ATOM 2197 CA LYS E 295 4.967 -23.406 -0.593 1.00 46.05 C +ATOM 2198 C LYS E 295 4.617 -22.332 0.445 1.00 43.90 C +ATOM 2199 O LYS E 295 3.477 -22.275 0.905 1.00 47.29 O +ATOM 2200 CB LYS E 295 6.009 -24.389 0.021 1.00 53.01 C +ATOM 2201 CG LYS E 295 6.162 -25.838 -0.529 1.00 58.18 C +ATOM 2202 CD LYS E 295 7.198 -26.781 0.187 1.00 60.34 C +ATOM 2203 CE LYS E 295 8.723 -26.512 -0.044 1.00 60.74 C +ATOM 2204 NZ LYS E 295 9.606 -27.385 0.744 1.00 59.78 N +ATOM 2205 N TRP E 296 5.571 -21.435 0.763 1.00 37.92 N +ATOM 2206 CA TRP E 296 5.330 -20.335 1.684 1.00 31.72 C +ATOM 2207 C TRP E 296 4.024 -19.580 1.511 1.00 27.74 C +ATOM 2208 O TRP E 296 3.317 -19.364 2.485 1.00 28.83 O +ATOM 2209 CB TRP E 296 6.498 -19.361 1.589 1.00 30.45 C +ATOM 2210 CG TRP E 296 6.781 -18.604 2.902 1.00 31.87 C +ATOM 2211 CD1 TRP E 296 6.994 -19.296 4.068 1.00 30.02 C +ATOM 2212 CD2 TRP E 296 6.844 -17.234 3.106 1.00 27.01 C +ATOM 2213 NE1 TRP E 296 7.175 -18.397 4.992 1.00 27.76 N +ATOM 2214 CE2 TRP E 296 7.094 -17.163 4.465 1.00 25.74 C +ATOM 2215 CE3 TRP E 296 6.729 -16.068 2.388 1.00 22.52 C +ATOM 2216 CZ2 TRP E 296 7.221 -15.951 5.114 1.00 20.71 C +ATOM 2217 CZ3 TRP E 296 6.857 -14.861 3.041 1.00 20.61 C +ATOM 2218 CH2 TRP E 296 7.099 -14.805 4.387 1.00 18.20 C +ATOM 2219 N PHE E 297 3.577 -19.289 0.313 1.00 24.14 N +ATOM 2220 CA PHE E 297 2.399 -18.478 0.187 1.00 27.75 C +ATOM 2221 C PHE E 297 1.144 -19.270 0.017 1.00 30.57 C +ATOM 2222 O PHE E 297 0.134 -18.790 -0.509 1.00 30.85 O +ATOM 2223 CB PHE E 297 2.506 -17.584 -0.978 1.00 26.39 C +ATOM 2224 CG PHE E 297 3.486 -16.462 -0.794 1.00 25.48 C +ATOM 2225 CD1 PHE E 297 3.062 -15.276 -0.285 1.00 19.99 C +ATOM 2226 CD2 PHE E 297 4.782 -16.620 -1.232 1.00 26.42 C +ATOM 2227 CE1 PHE E 297 3.946 -14.245 -0.237 1.00 21.52 C +ATOM 2228 CE2 PHE E 297 5.658 -15.569 -1.173 1.00 20.09 C +ATOM 2229 CZ PHE E 297 5.233 -14.385 -0.680 1.00 18.08 C +ATOM 2230 N ALA E 298 1.155 -20.491 0.487 1.00 33.79 N +ATOM 2231 CA ALA E 298 -0.038 -21.299 0.315 1.00 39.01 C +ATOM 2232 C ALA E 298 -1.264 -20.816 1.138 1.00 40.57 C +ATOM 2233 O ALA E 298 -2.446 -21.002 0.797 1.00 42.87 O +ATOM 2234 CB ALA E 298 0.330 -22.732 0.681 1.00 40.52 C +ATOM 2235 N THR E 299 -1.018 -20.182 2.274 1.00 38.25 N +ATOM 2236 CA THR E 299 -2.092 -19.625 3.065 1.00 35.43 C +ATOM 2237 C THR E 299 -2.600 -18.354 2.380 1.00 34.50 C +ATOM 2238 O THR E 299 -3.695 -17.879 2.683 1.00 35.23 O +ATOM 2239 CB THR E 299 -1.554 -19.276 4.467 1.00 37.03 C +ATOM 2240 OG1 THR E 299 -0.226 -19.845 4.633 1.00 36.23 O +ATOM 2241 CG2 THR E 299 -2.586 -19.709 5.510 1.00 37.49 C +ATOM 2242 N THR E 300 -1.827 -17.777 1.449 1.00 31.22 N +ATOM 2243 CA THR E 300 -2.064 -16.454 0.964 1.00 25.73 C +ATOM 2244 C THR E 300 -3.265 -16.344 0.055 1.00 28.36 C +ATOM 2245 O THR E 300 -3.217 -16.779 -1.093 1.00 30.17 O +ATOM 2246 CB THR E 300 -0.779 -16.011 0.276 1.00 21.36 C +ATOM 2247 OG1 THR E 300 0.340 -16.341 1.089 1.00 18.03 O +ATOM 2248 CG2 THR E 300 -0.761 -14.531 0.119 1.00 23.57 C +ATOM 2249 N ASP E 301 -4.379 -15.755 0.498 1.00 29.51 N +ATOM 2250 CA ASP E 301 -5.472 -15.540 -0.422 1.00 31.49 C +ATOM 2251 C ASP E 301 -5.197 -14.257 -1.196 1.00 33.38 C +ATOM 2252 O ASP E 301 -5.553 -13.161 -0.734 1.00 37.79 O +ATOM 2253 CB ASP E 301 -6.777 -15.423 0.330 1.00 37.00 C +ATOM 2254 CG ASP E 301 -7.914 -15.563 -0.684 1.00 44.34 C +ATOM 2255 OD1 ASP E 301 -8.188 -16.681 -1.150 1.00 48.28 O +ATOM 2256 OD2 ASP E 301 -8.496 -14.542 -1.050 1.00 48.48 O +ATOM 2257 N TRP E 302 -4.637 -14.340 -2.406 1.00 29.90 N +ATOM 2258 CA TRP E 302 -4.185 -13.151 -3.100 1.00 24.24 C +ATOM 2259 C TRP E 302 -5.243 -12.113 -3.382 1.00 26.14 C +ATOM 2260 O TRP E 302 -5.025 -10.920 -3.176 1.00 27.99 O +ATOM 2261 CB TRP E 302 -3.504 -13.620 -4.361 1.00 25.10 C +ATOM 2262 CG TRP E 302 -2.210 -14.433 -4.116 1.00 24.02 C +ATOM 2263 CD1 TRP E 302 -2.198 -15.812 -4.170 1.00 22.61 C +ATOM 2264 CD2 TRP E 302 -0.969 -13.926 -3.799 1.00 19.82 C +ATOM 2265 NE1 TRP E 302 -0.965 -16.169 -3.882 1.00 20.94 N +ATOM 2266 CE2 TRP E 302 -0.208 -15.080 -3.656 1.00 21.13 C +ATOM 2267 CE3 TRP E 302 -0.384 -12.698 -3.623 1.00 12.92 C +ATOM 2268 CZ2 TRP E 302 1.130 -15.023 -3.329 1.00 17.91 C +ATOM 2269 CZ3 TRP E 302 0.952 -12.651 -3.301 1.00 15.63 C +ATOM 2270 CH2 TRP E 302 1.706 -13.797 -3.154 1.00 14.45 C +ATOM 2271 N ILE E 303 -6.470 -12.486 -3.709 1.00 28.09 N +ATOM 2272 CA ILE E 303 -7.471 -11.457 -4.010 1.00 29.28 C +ATOM 2273 C ILE E 303 -7.921 -10.779 -2.716 1.00 26.19 C +ATOM 2274 O ILE E 303 -8.229 -9.605 -2.660 1.00 21.59 O +ATOM 2275 CB ILE E 303 -8.659 -12.158 -4.818 1.00 35.42 C +ATOM 2276 CG1 ILE E 303 -9.542 -11.099 -5.504 1.00 38.90 C +ATOM 2277 CG2 ILE E 303 -9.551 -13.001 -3.892 1.00 37.42 C +ATOM 2278 CD1 ILE E 303 -9.007 -10.441 -6.808 1.00 42.57 C +ATOM 2279 N ALA E 304 -7.896 -11.484 -1.595 1.00 27.11 N +ATOM 2280 CA ALA E 304 -8.311 -10.945 -0.304 1.00 24.74 C +ATOM 2281 C ALA E 304 -7.321 -9.921 0.121 1.00 21.85 C +ATOM 2282 O ALA E 304 -7.670 -8.976 0.815 1.00 24.58 O +ATOM 2283 CB ALA E 304 -8.314 -11.975 0.827 1.00 25.07 C +ATOM 2284 N ILE E 305 -6.091 -10.151 -0.282 1.00 17.57 N +ATOM 2285 CA ILE E 305 -5.045 -9.236 0.026 1.00 17.90 C +ATOM 2286 C ILE E 305 -5.247 -7.926 -0.680 1.00 17.55 C +ATOM 2287 O ILE E 305 -5.277 -6.884 -0.039 1.00 15.06 O +ATOM 2288 CB ILE E 305 -3.802 -9.964 -0.358 1.00 16.72 C +ATOM 2289 CG1 ILE E 305 -3.576 -10.976 0.757 1.00 11.93 C +ATOM 2290 CG2 ILE E 305 -2.637 -9.000 -0.644 1.00 20.00 C +ATOM 2291 CD1 ILE E 305 -3.122 -10.262 2.050 1.00 5.95 C +ATOM 2292 N TYR E 306 -5.454 -8.102 -1.978 1.00 17.72 N +ATOM 2293 CA TYR E 306 -5.656 -7.047 -2.939 1.00 18.41 C +ATOM 2294 C TYR E 306 -6.844 -6.247 -2.580 1.00 19.95 C +ATOM 2295 O TYR E 306 -6.927 -5.053 -2.826 1.00 18.19 O +ATOM 2296 CB TYR E 306 -5.888 -7.621 -4.356 1.00 22.91 C +ATOM 2297 CG TYR E 306 -6.259 -6.575 -5.400 1.00 23.02 C +ATOM 2298 CD1 TYR E 306 -5.296 -5.808 -6.021 1.00 25.61 C +ATOM 2299 CD2 TYR E 306 -7.587 -6.311 -5.639 1.00 26.56 C +ATOM 2300 CE1 TYR E 306 -5.671 -4.776 -6.859 1.00 28.30 C +ATOM 2301 CE2 TYR E 306 -7.973 -5.277 -6.466 1.00 30.51 C +ATOM 2302 CZ TYR E 306 -7.010 -4.510 -7.071 1.00 31.86 C +ATOM 2303 OH TYR E 306 -7.416 -3.458 -7.884 1.00 38.56 O +ATOM 2304 N GLN E 307 -7.831 -7.000 -2.124 1.00 27.47 N +ATOM 2305 CA GLN E 307 -9.112 -6.416 -1.781 1.00 34.23 C +ATOM 2306 C GLN E 307 -9.079 -5.652 -0.491 1.00 36.45 C +ATOM 2307 O GLN E 307 -10.049 -4.943 -0.229 1.00 38.48 O +ATOM 2308 CB GLN E 307 -10.177 -7.471 -1.664 1.00 36.97 C +ATOM 2309 CG GLN E 307 -10.940 -7.620 -2.980 1.00 45.58 C +ATOM 2310 CD GLN E 307 -11.595 -8.993 -3.230 1.00 51.11 C +ATOM 2311 OE1 GLN E 307 -12.471 -9.143 -4.088 1.00 52.70 O +ATOM 2312 NE2 GLN E 307 -11.194 -10.083 -2.572 1.00 52.39 N +ATOM 2313 N ARG E 308 -7.967 -5.788 0.262 1.00 38.35 N +ATOM 2314 CA ARG E 308 -7.725 -5.148 1.551 1.00 38.40 C +ATOM 2315 C ARG E 308 -8.800 -5.555 2.553 1.00 38.54 C +ATOM 2316 O ARG E 308 -9.478 -4.741 3.184 1.00 38.96 O +ATOM 2317 CB ARG E 308 -7.678 -3.614 1.382 1.00 36.79 C +ATOM 2318 CG ARG E 308 -6.484 -3.150 0.537 1.00 38.87 C +ATOM 2319 CD ARG E 308 -6.492 -1.648 0.205 1.00 36.51 C +ATOM 2320 NE ARG E 308 -6.477 -0.894 1.425 1.00 37.26 N +ATOM 2321 CZ ARG E 308 -5.410 -0.232 1.857 1.00 41.36 C +ATOM 2322 NH1 ARG E 308 -4.256 -0.191 1.176 1.00 43.26 N +ATOM 2323 NH2 ARG E 308 -5.505 0.319 3.070 1.00 41.27 N +ATOM 2324 N LYS E 309 -8.955 -6.874 2.653 1.00 38.05 N +ATOM 2325 CA LYS E 309 -9.899 -7.462 3.571 1.00 39.69 C +ATOM 2326 C LYS E 309 -9.256 -8.604 4.353 1.00 39.93 C +ATOM 2327 O LYS E 309 -9.918 -9.366 5.071 1.00 39.55 O +ATOM 2328 CB LYS E 309 -11.144 -7.938 2.772 1.00 46.05 C +ATOM 2329 CG LYS E 309 -11.049 -9.157 1.848 1.00 49.61 C +ATOM 2330 CD LYS E 309 -12.352 -9.331 1.058 1.00 53.23 C +ATOM 2331 CE LYS E 309 -12.352 -10.728 0.398 1.00 57.54 C +ATOM 2332 NZ LYS E 309 -13.482 -10.948 -0.499 1.00 58.37 N +ATOM 2333 N VAL E 310 -7.934 -8.775 4.233 1.00 38.94 N +ATOM 2334 CA VAL E 310 -7.264 -9.714 5.118 1.00 34.91 C +ATOM 2335 C VAL E 310 -7.139 -8.806 6.320 1.00 34.50 C +ATOM 2336 O VAL E 310 -7.051 -7.572 6.205 1.00 34.73 O +ATOM 2337 CB VAL E 310 -5.869 -10.130 4.614 1.00 34.65 C +ATOM 2338 CG1 VAL E 310 -5.009 -10.817 5.681 1.00 31.87 C +ATOM 2339 CG2 VAL E 310 -6.097 -11.151 3.519 1.00 36.03 C +ATOM 2340 N GLU E 311 -7.203 -9.375 7.497 1.00 33.49 N +ATOM 2341 CA GLU E 311 -7.154 -8.507 8.648 1.00 36.84 C +ATOM 2342 C GLU E 311 -5.712 -8.072 8.922 1.00 36.67 C +ATOM 2343 O GLU E 311 -4.812 -8.918 8.902 1.00 38.44 O +ATOM 2344 CB GLU E 311 -7.765 -9.264 9.833 1.00 41.10 C +ATOM 2345 N ALA E 312 -5.419 -6.790 9.160 1.00 34.03 N +ATOM 2346 CA ALA E 312 -4.040 -6.400 9.442 1.00 32.83 C +ATOM 2347 C ALA E 312 -3.395 -6.911 10.766 1.00 31.33 C +ATOM 2348 O ALA E 312 -3.966 -6.692 11.859 1.00 34.34 O +ATOM 2349 CB ALA E 312 -3.989 -4.884 9.407 1.00 31.92 C +ATOM 2350 N PRO E 313 -2.205 -7.569 10.738 1.00 25.12 N +ATOM 2351 CA PRO E 313 -1.428 -8.040 11.886 1.00 19.00 C +ATOM 2352 C PRO E 313 -1.118 -7.040 12.982 1.00 16.31 C +ATOM 2353 O PRO E 313 -1.125 -7.273 14.182 1.00 21.08 O +ATOM 2354 CB PRO E 313 -0.165 -8.561 11.294 1.00 15.93 C +ATOM 2355 CG PRO E 313 -0.573 -8.971 9.937 1.00 17.96 C +ATOM 2356 CD PRO E 313 -1.444 -7.824 9.534 1.00 22.28 C +ATOM 2357 N PHE E 314 -0.736 -5.899 12.521 1.00 12.22 N +ATOM 2358 CA PHE E 314 -0.277 -4.851 13.354 1.00 11.47 C +ATOM 2359 C PHE E 314 -1.133 -3.756 12.826 1.00 12.18 C +ATOM 2360 O PHE E 314 -1.456 -3.755 11.647 1.00 17.48 O +ATOM 2361 CB PHE E 314 1.178 -4.677 13.027 1.00 15.32 C +ATOM 2362 CG PHE E 314 1.813 -3.423 13.568 1.00 17.31 C +ATOM 2363 CD1 PHE E 314 1.617 -2.213 12.944 1.00 20.27 C +ATOM 2364 CD2 PHE E 314 2.527 -3.506 14.733 1.00 23.71 C +ATOM 2365 CE1 PHE E 314 2.122 -1.054 13.478 1.00 23.33 C +ATOM 2366 CE2 PHE E 314 3.036 -2.355 15.271 1.00 27.27 C +ATOM 2367 CZ PHE E 314 2.835 -1.131 14.650 1.00 27.04 C +ATOM 2368 N ILE E 315 -1.472 -2.784 13.626 1.00 17.12 N +ATOM 2369 CA ILE E 315 -2.212 -1.600 13.195 1.00 21.78 C +ATOM 2370 C ILE E 315 -1.654 -0.503 14.068 1.00 27.08 C +ATOM 2371 O ILE E 315 -1.537 -0.734 15.272 1.00 31.47 O +ATOM 2372 CB ILE E 315 -3.706 -1.753 13.458 1.00 19.03 C +ATOM 2373 CG1 ILE E 315 -4.279 -2.469 12.275 1.00 15.75 C +ATOM 2374 CG2 ILE E 315 -4.391 -0.404 13.673 1.00 19.75 C +ATOM 2375 CD1 ILE E 315 -5.484 -3.327 12.572 1.00 14.68 C +ATOM 2376 N PRO E 316 -1.218 0.632 13.575 1.00 30.46 N +ATOM 2377 CA PRO E 316 -0.768 1.728 14.389 1.00 33.27 C +ATOM 2378 C PRO E 316 -1.914 2.563 14.897 1.00 33.14 C +ATOM 2379 O PRO E 316 -2.964 2.756 14.281 1.00 35.19 O +ATOM 2380 CB PRO E 316 0.175 2.490 13.498 1.00 35.41 C +ATOM 2381 CG PRO E 316 -0.525 2.351 12.180 1.00 34.34 C +ATOM 2382 CD PRO E 316 -0.800 0.847 12.211 1.00 34.09 C +ATOM 2383 N LYS E 317 -1.628 3.080 16.067 1.00 33.62 N +ATOM 2384 CA LYS E 317 -2.553 3.956 16.710 1.00 37.05 C +ATOM 2385 C LYS E 317 -2.246 5.335 16.134 1.00 38.62 C +ATOM 2386 O LYS E 317 -1.129 5.880 16.207 1.00 37.73 O +ATOM 2387 CB LYS E 317 -2.306 3.901 18.202 1.00 38.82 C +ATOM 2388 N PHE E 318 -3.251 5.860 15.473 1.00 39.64 N +ATOM 2389 CA PHE E 318 -3.155 7.193 14.940 1.00 44.34 C +ATOM 2390 C PHE E 318 -3.950 7.975 15.992 1.00 45.71 C +ATOM 2391 O PHE E 318 -5.088 7.617 16.305 1.00 45.44 O +ATOM 2392 CB PHE E 318 -3.795 7.163 13.551 1.00 48.29 C +ATOM 2393 CG PHE E 318 -4.112 8.494 12.856 1.00 54.39 C +ATOM 2394 CD1 PHE E 318 -3.158 9.496 12.692 1.00 57.39 C +ATOM 2395 CD2 PHE E 318 -5.377 8.679 12.299 1.00 56.24 C +ATOM 2396 CE1 PHE E 318 -3.474 10.650 11.972 1.00 57.39 C +ATOM 2397 CE2 PHE E 318 -5.676 9.833 11.586 1.00 57.91 C +ATOM 2398 CZ PHE E 318 -4.724 10.821 11.414 1.00 56.90 C +ATOM 2399 N LYS E 319 -3.408 9.026 16.604 1.00 47.66 N +ATOM 2400 CA LYS E 319 -4.101 9.794 17.630 1.00 46.82 C +ATOM 2401 C LYS E 319 -4.759 10.966 16.925 1.00 45.62 C +ATOM 2402 O LYS E 319 -4.557 12.149 17.198 1.00 46.57 O +ATOM 2403 CB LYS E 319 -3.067 10.235 18.643 1.00 51.38 C +ATOM 2404 CG LYS E 319 -3.617 11.064 19.809 1.00 56.27 C +ATOM 2405 CD LYS E 319 -2.441 11.853 20.381 1.00 60.43 C +ATOM 2406 N GLY E 320 -5.571 10.620 15.951 1.00 44.18 N +ATOM 2407 CA GLY E 320 -6.247 11.622 15.193 1.00 42.09 C +ATOM 2408 C GLY E 320 -5.339 12.393 14.242 1.00 41.20 C +ATOM 2409 O GLY E 320 -4.115 12.288 14.228 1.00 38.86 O +ATOM 2410 N PRO E 321 -6.016 13.052 13.302 1.00 41.30 N +ATOM 2411 CA PRO E 321 -5.547 14.010 12.357 1.00 39.77 C +ATOM 2412 C PRO E 321 -4.311 14.779 12.537 1.00 37.54 C +ATOM 2413 O PRO E 321 -4.246 15.757 13.268 1.00 37.11 O +ATOM 2414 CB PRO E 321 -6.706 14.919 12.169 1.00 41.61 C +ATOM 2415 CG PRO E 321 -7.710 13.850 11.861 1.00 45.06 C +ATOM 2416 CD PRO E 321 -7.412 12.818 12.953 1.00 45.55 C +ATOM 2417 N GLY E 322 -3.420 14.353 11.657 1.00 36.58 N +ATOM 2418 CA GLY E 322 -2.152 15.033 11.591 1.00 34.73 C +ATOM 2419 C GLY E 322 -1.223 14.569 12.682 1.00 31.52 C +ATOM 2420 O GLY E 322 -0.262 15.261 13.003 1.00 33.85 O +ATOM 2421 N ASP E 323 -1.484 13.397 13.226 1.00 28.51 N +ATOM 2422 CA ASP E 323 -0.631 12.879 14.246 1.00 27.59 C +ATOM 2423 C ASP E 323 0.627 12.433 13.574 1.00 26.98 C +ATOM 2424 O ASP E 323 0.540 11.566 12.715 1.00 27.59 O +ATOM 2425 CB ASP E 323 -1.266 11.692 14.908 1.00 28.93 C +ATOM 2426 CG ASP E 323 -0.499 11.199 16.100 1.00 28.24 C +ATOM 2427 OD1 ASP E 323 -0.033 12.026 16.874 1.00 30.55 O +ATOM 2428 OD2 ASP E 323 -0.399 9.988 16.255 1.00 29.72 O +ATOM 2429 N THR E 324 1.755 13.023 13.936 1.00 26.66 N +ATOM 2430 CA THR E 324 3.061 12.614 13.454 1.00 23.88 C +ATOM 2431 C THR E 324 3.766 11.687 14.429 1.00 24.21 C +ATOM 2432 O THR E 324 4.920 11.351 14.160 1.00 28.60 O +ATOM 2433 CB THR E 324 3.935 13.826 13.244 1.00 20.03 C +ATOM 2434 OG1 THR E 324 3.843 14.619 14.408 1.00 26.46 O +ATOM 2435 CG2 THR E 324 3.475 14.672 12.111 1.00 24.47 C +ATOM 2436 N SER E 325 3.212 11.185 15.552 1.00 23.97 N +ATOM 2437 CA SER E 325 4.035 10.411 16.480 1.00 21.68 C +ATOM 2438 C SER E 325 4.670 9.149 15.918 1.00 24.37 C +ATOM 2439 O SER E 325 5.699 8.748 16.458 1.00 26.04 O +ATOM 2440 CB SER E 325 3.223 10.042 17.724 1.00 18.72 C +ATOM 2441 OG SER E 325 1.950 9.453 17.501 1.00 13.68 O +ATOM 2442 N ASN E 326 4.140 8.498 14.847 1.00 26.69 N +ATOM 2443 CA ASN E 326 4.796 7.315 14.258 1.00 24.63 C +ATOM 2444 C ASN E 326 6.014 7.664 13.351 1.00 25.72 C +ATOM 2445 O ASN E 326 6.560 6.808 12.632 1.00 27.86 O +ATOM 2446 CB ASN E 326 3.809 6.534 13.439 1.00 21.91 C +ATOM 2447 CG ASN E 326 2.674 5.863 14.190 1.00 21.21 C +ATOM 2448 OD1 ASN E 326 2.769 4.777 14.772 1.00 20.46 O +ATOM 2449 ND2 ASN E 326 1.498 6.448 14.079 1.00 23.37 N +ATOM 2450 N PHE E 327 6.452 8.938 13.340 1.00 21.81 N +ATOM 2451 CA PHE E 327 7.552 9.423 12.549 1.00 20.85 C +ATOM 2452 C PHE E 327 8.610 10.066 13.471 1.00 24.15 C +ATOM 2453 O PHE E 327 8.236 10.714 14.443 1.00 27.18 O +ATOM 2454 CB PHE E 327 6.993 10.417 11.560 1.00 15.82 C +ATOM 2455 CG PHE E 327 6.215 9.833 10.379 1.00 10.46 C +ATOM 2456 CD1 PHE E 327 6.899 9.351 9.294 1.00 8.95 C +ATOM 2457 CD2 PHE E 327 4.846 9.848 10.369 1.00 8.97 C +ATOM 2458 CE1 PHE E 327 6.216 8.897 8.215 1.00 6.71 C +ATOM 2459 CE2 PHE E 327 4.153 9.394 9.287 1.00 10.10 C +ATOM 2460 CZ PHE E 327 4.841 8.922 8.213 1.00 12.66 C +ATOM 2461 N ASP E 328 9.927 9.893 13.226 1.00 22.03 N +ATOM 2462 CA ASP E 328 11.016 10.430 14.025 1.00 21.01 C +ATOM 2463 C ASP E 328 11.036 11.920 13.842 1.00 21.07 C +ATOM 2464 O ASP E 328 10.464 12.525 12.937 1.00 23.37 O +ATOM 2465 CB ASP E 328 12.466 9.980 13.619 1.00 24.60 C +ATOM 2466 CG ASP E 328 12.928 8.515 13.744 1.00 29.06 C +ATOM 2467 OD1 ASP E 328 12.317 7.762 14.510 1.00 31.82 O +ATOM 2468 OD2 ASP E 328 13.898 8.114 13.070 1.00 31.26 O +ATOM 2469 N ASP E 329 11.789 12.512 14.734 1.00 22.53 N +ATOM 2470 CA ASP E 329 11.912 13.939 14.695 1.00 27.19 C +ATOM 2471 C ASP E 329 13.209 14.218 13.972 1.00 26.75 C +ATOM 2472 O ASP E 329 14.279 13.623 14.227 1.00 26.93 O +ATOM 2473 CB ASP E 329 11.938 14.535 16.113 1.00 31.48 C +ATOM 2474 CG ASP E 329 10.758 14.164 17.042 1.00 35.10 C +ATOM 2475 OD1 ASP E 329 9.580 14.218 16.640 1.00 33.55 O +ATOM 2476 OD2 ASP E 329 11.048 13.828 18.199 1.00 38.21 O +ATOM 2477 N TYR E 330 12.930 15.036 12.957 1.00 24.60 N +ATOM 2478 CA TYR E 330 13.941 15.600 12.110 1.00 23.58 C +ATOM 2479 C TYR E 330 14.069 17.047 12.515 1.00 28.19 C +ATOM 2480 O TYR E 330 13.222 17.549 13.253 1.00 31.37 O +ATOM 2481 CB TYR E 330 13.539 15.514 10.672 1.00 15.68 C +ATOM 2482 CG TYR E 330 13.588 14.065 10.315 1.00 10.94 C +ATOM 2483 CD1 TYR E 330 14.796 13.429 10.152 1.00 11.58 C +ATOM 2484 CD2 TYR E 330 12.415 13.391 10.206 1.00 10.00 C +ATOM 2485 CE1 TYR E 330 14.840 12.086 9.881 1.00 9.98 C +ATOM 2486 CE2 TYR E 330 12.452 12.058 9.931 1.00 9.87 C +ATOM 2487 CZ TYR E 330 13.643 11.420 9.768 1.00 10.92 C +ATOM 2488 OH TYR E 330 13.605 10.077 9.451 1.00 16.12 O +ATOM 2489 N GLU E 331 15.126 17.707 12.037 1.00 32.18 N +ATOM 2490 CA GLU E 331 15.442 19.088 12.347 1.00 33.80 C +ATOM 2491 C GLU E 331 15.084 19.965 11.147 1.00 36.46 C +ATOM 2492 O GLU E 331 15.523 19.711 10.009 1.00 40.76 O +ATOM 2493 CB GLU E 331 16.913 19.156 12.673 1.00 34.57 C +ATOM 2494 N GLU E 332 14.243 20.971 11.429 1.00 35.27 N +ATOM 2495 CA GLU E 332 13.628 21.765 10.392 1.00 35.85 C +ATOM 2496 C GLU E 332 14.599 22.733 9.762 1.00 38.99 C +ATOM 2497 O GLU E 332 15.350 23.408 10.480 1.00 42.05 O +ATOM 2498 CB GLU E 332 12.448 22.566 10.934 1.00 32.88 C +ATOM 2499 CG GLU E 332 11.340 21.831 11.705 1.00 34.52 C +ATOM 2500 CD GLU E 332 10.566 20.749 10.968 1.00 32.15 C +ATOM 2501 OE1 GLU E 332 10.198 20.967 9.821 1.00 33.52 O +ATOM 2502 OE2 GLU E 332 10.321 19.687 11.538 1.00 29.25 O +ATOM 2503 N GLU E 333 14.584 22.735 8.417 1.00 40.32 N +ATOM 2504 CA GLU E 333 15.314 23.677 7.568 1.00 38.74 C +ATOM 2505 C GLU E 333 14.196 24.533 6.960 1.00 38.45 C +ATOM 2506 O GLU E 333 13.058 24.058 6.850 1.00 37.91 O +ATOM 2507 CB GLU E 333 16.078 22.971 6.428 1.00 37.23 C +ATOM 2508 CG GLU E 333 17.301 22.135 6.795 1.00 37.17 C +ATOM 2509 N GLU E 334 14.422 25.778 6.537 1.00 39.45 N +ATOM 2510 CA GLU E 334 13.326 26.569 5.997 1.00 40.64 C +ATOM 2511 C GLU E 334 13.233 26.289 4.524 1.00 40.45 C +ATOM 2512 O GLU E 334 14.293 26.274 3.883 1.00 43.54 O +ATOM 2513 CB GLU E 334 13.572 28.055 6.159 1.00 45.20 C +ATOM 2514 N ILE E 335 12.059 26.045 3.936 1.00 38.26 N +ATOM 2515 CA ILE E 335 12.050 25.904 2.495 1.00 34.83 C +ATOM 2516 C ILE E 335 12.014 27.401 2.148 1.00 34.46 C +ATOM 2517 O ILE E 335 11.299 28.217 2.727 1.00 33.28 O +ATOM 2518 CB ILE E 335 10.789 25.028 1.946 1.00 32.29 C +ATOM 2519 CG1 ILE E 335 9.799 25.861 1.212 1.00 32.87 C +ATOM 2520 CG2 ILE E 335 10.018 24.342 3.063 1.00 30.42 C +ATOM 2521 CD1 ILE E 335 10.199 26.176 -0.242 1.00 34.57 C +ATOM 2522 N ARG E 336 12.918 27.788 1.262 1.00 36.63 N +ATOM 2523 CA ARG E 336 13.030 29.156 0.784 1.00 34.49 C +ATOM 2524 C ARG E 336 13.322 29.117 -0.703 1.00 33.75 C +ATOM 2525 O ARG E 336 14.203 28.346 -1.120 1.00 32.30 O +ATOM 2526 CB ARG E 336 14.172 29.872 1.450 1.00 38.10 C +ATOM 2527 N VAL E 337 12.560 29.993 -1.403 1.00 33.32 N +ATOM 2528 CA VAL E 337 12.503 30.213 -2.854 1.00 30.60 C +ATOM 2529 C VAL E 337 13.064 31.582 -3.244 1.00 32.49 C +ATOM 2530 O VAL E 337 12.682 32.663 -2.791 1.00 34.60 O +ATOM 2531 CB VAL E 337 10.986 30.021 -3.378 1.00 28.07 C +ATOM 2532 CG1 VAL E 337 9.929 30.319 -2.328 1.00 29.42 C +ATOM 2533 CG2 VAL E 337 10.625 31.045 -4.426 1.00 28.47 C +ATOM 2534 N ILE E 339 14.377 34.704 -5.810 1.00 35.24 N +ATOM 2535 CA ILE E 339 13.695 35.616 -6.711 1.00 40.09 C +ATOM 2536 C ILE E 339 14.157 35.319 -8.141 1.00 43.32 C +ATOM 2537 O ILE E 339 13.698 35.973 -9.085 1.00 49.04 O +ATOM 2538 CB ILE E 339 13.983 37.151 -6.424 1.00 38.89 C +ATOM 2539 CG1 ILE E 339 15.431 37.517 -6.657 1.00 40.93 C +ATOM 2540 CG2 ILE E 339 13.662 37.457 -4.985 1.00 37.54 C +ATOM 2541 CD1 ILE E 339 15.686 39.037 -6.699 1.00 45.26 C +ATOM 2542 N ASN E 340 15.075 34.382 -8.390 1.00 42.65 N +ATOM 2543 CA ASN E 340 15.521 34.191 -9.755 1.00 40.03 C +ATOM 2544 C ASN E 340 15.310 32.744 -9.956 1.00 36.89 C +ATOM 2545 O ASN E 340 15.620 31.910 -9.099 1.00 34.83 O +ATOM 2546 CB ASN E 340 16.979 34.481 -9.955 1.00 43.13 C +ATOM 2547 CG ASN E 340 17.249 35.959 -9.780 1.00 45.65 C +ATOM 2548 OD1 ASN E 340 16.947 36.815 -10.625 1.00 47.75 O +ATOM 2549 ND2 ASN E 340 17.850 36.274 -8.639 1.00 45.99 N +ATOM 2550 N GLU E 341 14.611 32.513 -11.051 1.00 35.07 N +ATOM 2551 CA GLU E 341 14.319 31.173 -11.455 1.00 34.78 C +ATOM 2552 C GLU E 341 15.674 30.494 -11.578 1.00 37.20 C +ATOM 2553 O GLU E 341 16.635 31.085 -12.092 1.00 36.74 O +ATOM 2554 CB GLU E 341 13.589 31.227 -12.756 1.00 31.59 C +ATOM 2555 CG GLU E 341 13.352 29.849 -13.305 1.00 32.71 C +ATOM 2556 CD GLU E 341 12.584 29.884 -14.615 1.00 39.46 C +ATOM 2557 OE1 GLU E 341 13.189 30.105 -15.672 1.00 40.73 O +ATOM 2558 OE2 GLU E 341 11.364 29.692 -14.584 1.00 45.18 O +ATOM 2559 N LYS E 342 15.719 29.356 -10.881 1.00 37.75 N +ATOM 2560 CA LYS E 342 16.882 28.527 -10.891 1.00 37.74 C +ATOM 2561 C LYS E 342 16.949 27.517 -12.039 1.00 39.84 C +ATOM 2562 O LYS E 342 17.026 27.988 -13.176 1.00 44.28 O +ATOM 2563 CB LYS E 342 16.955 27.890 -9.524 1.00 36.57 C +ATOM 2564 CG LYS E 342 17.351 28.968 -8.526 1.00 40.54 C +ATOM 2565 CD LYS E 342 18.745 29.514 -8.925 1.00 46.10 C +ATOM 2566 CE LYS E 342 19.277 30.792 -8.229 1.00 45.92 C +ATOM 2567 NZ LYS E 342 18.577 31.993 -8.651 1.00 45.70 N +ATOM 2568 N CYS E 343 16.879 26.188 -12.001 1.00 37.17 N +ATOM 2569 CA CYS E 343 17.223 25.423 -13.201 1.00 35.49 C +ATOM 2570 C CYS E 343 16.172 25.271 -14.304 1.00 36.79 C +ATOM 2571 O CYS E 343 15.764 24.176 -14.719 1.00 39.87 O +ATOM 2572 CB CYS E 343 17.696 24.113 -12.684 1.00 32.44 C +ATOM 2573 SG CYS E 343 19.213 24.533 -11.827 1.00 28.89 S +ATOM 2574 N GLY E 344 15.884 26.397 -14.941 1.00 33.77 N +ATOM 2575 CA GLY E 344 14.745 26.562 -15.819 1.00 30.03 C +ATOM 2576 C GLY E 344 14.457 25.577 -16.911 1.00 27.69 C +ATOM 2577 O GLY E 344 13.339 25.052 -16.993 1.00 29.04 O +ATOM 2578 N LYS E 345 15.494 25.356 -17.722 1.00 25.30 N +ATOM 2579 CA LYS E 345 15.342 24.526 -18.902 1.00 25.16 C +ATOM 2580 C LYS E 345 15.221 23.040 -18.675 1.00 20.72 C +ATOM 2581 O LYS E 345 14.590 22.278 -19.393 1.00 19.72 O +ATOM 2582 CB LYS E 345 16.505 24.731 -19.840 1.00 32.42 C +ATOM 2583 CG LYS E 345 16.069 25.416 -21.129 1.00 41.68 C +ATOM 2584 CD LYS E 345 16.127 26.950 -20.981 1.00 50.68 C +ATOM 2585 CE LYS E 345 15.402 27.793 -22.067 1.00 54.46 C +ATOM 2586 NZ LYS E 345 13.953 27.870 -21.884 1.00 54.53 N +ATOM 2587 N GLU E 346 15.887 22.669 -17.613 1.00 16.04 N +ATOM 2588 CA GLU E 346 16.064 21.295 -17.291 1.00 12.81 C +ATOM 2589 C GLU E 346 14.747 20.742 -16.833 1.00 11.23 C +ATOM 2590 O GLU E 346 14.299 19.647 -17.191 1.00 10.10 O +ATOM 2591 CB GLU E 346 17.140 21.240 -16.224 1.00 12.89 C +ATOM 2592 CG GLU E 346 18.480 21.634 -16.823 1.00 18.56 C +ATOM 2593 CD GLU E 346 19.148 22.916 -16.337 1.00 25.49 C +ATOM 2594 OE1 GLU E 346 18.493 23.966 -16.343 1.00 27.79 O +ATOM 2595 OE2 GLU E 346 20.343 22.864 -15.982 1.00 28.80 O +ATOM 2596 N PHE E 347 14.097 21.552 -16.030 1.00 8.79 N +ATOM 2597 CA PHE E 347 12.891 21.047 -15.462 1.00 9.63 C +ATOM 2598 C PHE E 347 11.650 21.440 -16.229 1.00 10.44 C +ATOM 2599 O PHE E 347 10.562 21.237 -15.705 1.00 9.55 O +ATOM 2600 CB PHE E 347 12.884 21.525 -14.035 1.00 6.75 C +ATOM 2601 CG PHE E 347 13.891 20.729 -13.242 1.00 4.26 C +ATOM 2602 CD1 PHE E 347 13.625 19.437 -12.936 1.00 2.00 C +ATOM 2603 CD2 PHE E 347 15.054 21.320 -12.838 1.00 3.44 C +ATOM 2604 CE1 PHE E 347 14.558 18.754 -12.204 1.00 5.25 C +ATOM 2605 CE2 PHE E 347 15.984 20.630 -12.112 1.00 2.00 C +ATOM 2606 CZ PHE E 347 15.731 19.341 -11.792 1.00 3.52 C +ATOM 2607 N THR E 348 11.716 21.884 -17.489 1.00 10.61 N +ATOM 2608 CA THR E 348 10.515 22.381 -18.086 1.00 11.44 C +ATOM 2609 C THR E 348 9.451 21.334 -18.140 1.00 9.87 C +ATOM 2610 O THR E 348 8.311 21.737 -18.224 1.00 18.34 O +ATOM 2611 CB THR E 348 10.691 22.972 -19.540 1.00 12.27 C +ATOM 2612 OG1 THR E 348 11.371 22.050 -20.376 1.00 12.77 O +ATOM 2613 CG2 THR E 348 11.391 24.322 -19.459 1.00 14.27 C +ATOM 2614 N GLU E 349 9.603 20.036 -18.042 1.00 11.73 N +ATOM 2615 CA GLU E 349 8.374 19.248 -18.160 1.00 13.00 C +ATOM 2616 C GLU E 349 7.749 18.772 -16.850 1.00 14.57 C +ATOM 2617 O GLU E 349 6.757 18.055 -16.883 1.00 14.47 O +ATOM 2618 CB GLU E 349 8.640 18.074 -19.094 1.00 14.73 C +ATOM 2619 CG GLU E 349 9.904 17.284 -18.913 1.00 16.01 C +ATOM 2620 CD GLU E 349 9.611 15.802 -19.170 1.00 24.81 C +ATOM 2621 OE1 GLU E 349 9.048 15.100 -18.288 1.00 26.32 O +ATOM 2622 OE2 GLU E 349 9.971 15.356 -20.270 1.00 25.06 O +ATOM 2623 N PHE E 350 8.288 19.189 -15.712 1.00 15.58 N +ATOM 2624 CA PHE E 350 7.758 18.811 -14.424 1.00 18.56 C +ATOM 2625 C PHE E 350 6.530 19.688 -14.221 1.00 20.93 C +ATOM 2626 O PHE E 350 6.555 20.830 -14.650 1.00 23.44 O +ATOM 2627 CB PHE E 350 8.794 19.103 -13.336 1.00 16.50 C +ATOM 2628 CG PHE E 350 8.513 18.568 -11.924 1.00 12.77 C +ATOM 2629 CD1 PHE E 350 7.511 19.092 -11.146 1.00 10.95 C +ATOM 2630 CD2 PHE E 350 9.281 17.535 -11.445 1.00 11.57 C +ATOM 2631 CE1 PHE E 350 7.278 18.579 -9.909 1.00 12.47 C +ATOM 2632 CE2 PHE E 350 9.044 17.025 -10.200 1.00 10.38 C +ATOM 2633 CZ PHE E 350 8.043 17.549 -9.440 1.00 11.76 C +ATOM 2634 OXT PHE E 350 5.554 19.264 -13.616 1.00 26.40 O +TER 2635 PHE E 350 +END diff --git a/bench/main_benchmark/structures/SFB_AL_RAS_4Q21A_5P21A/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_RAS_4Q21A_5P21A/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..dc3bc2062b86e1008e79b2c72a994159c07e6280 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_RAS_4Q21A_5P21A/state_a.pdb @@ -0,0 +1,1342 @@ +ATOM 1 N MET A 1 64.080 50.529 32.509 1.00 28.66 N +ATOM 2 CA MET A 1 64.044 51.615 33.423 1.00 29.19 C +ATOM 3 C MET A 1 63.722 52.849 32.671 1.00 30.27 C +ATOM 4 O MET A 1 64.359 53.119 31.662 1.00 34.93 O +ATOM 5 CB MET A 1 65.373 51.805 34.158 1.00 28.49 C +ATOM 6 CG MET A 1 65.122 52.780 35.269 1.00 32.18 C +ATOM 7 SD MET A 1 66.566 53.062 36.299 1.00 34.98 S +ATOM 8 CE MET A 1 67.709 53.712 35.063 1.00 35.40 C +ATOM 9 N THR A 2 62.711 53.578 33.093 1.00 28.04 N +ATOM 10 CA THR A 2 62.439 54.794 32.359 1.00 28.10 C +ATOM 11 C THR A 2 62.987 56.044 33.034 1.00 28.36 C +ATOM 12 O THR A 2 63.028 56.168 34.265 1.00 27.06 O +ATOM 13 CB THR A 2 60.970 54.986 32.099 1.00 31.81 C +ATOM 14 OG1 THR A 2 60.370 53.780 31.646 1.00 35.89 O +ATOM 15 CG2 THR A 2 60.834 56.082 31.057 1.00 32.90 C +ATOM 16 N GLU A 3 63.473 56.978 32.225 1.00 30.31 N +ATOM 17 CA GLU A 3 63.968 58.232 32.801 1.00 30.95 C +ATOM 18 C GLU A 3 63.034 59.396 32.434 1.00 31.23 C +ATOM 19 O GLU A 3 62.555 59.492 31.309 1.00 32.20 O +ATOM 20 CB GLU A 3 65.450 58.516 32.510 1.00 34.48 C +ATOM 21 CG GLU A 3 66.164 58.803 33.831 1.00 40.71 C +ATOM 22 CD GLU A 3 67.317 59.756 33.703 1.00 47.66 C +ATOM 23 OE1 GLU A 3 68.149 59.717 32.800 1.00 47.95 O +ATOM 24 OE2 GLU A 3 67.324 60.637 34.676 1.00 49.87 O +ATOM 25 N TYR A 4 62.736 60.251 33.384 1.00 26.38 N +ATOM 26 CA TYR A 4 61.817 61.333 33.161 1.00 23.42 C +ATOM 27 C TYR A 4 62.492 62.578 33.675 1.00 25.05 C +ATOM 28 O TYR A 4 62.942 62.581 34.828 1.00 24.77 O +ATOM 29 CB TYR A 4 60.524 61.126 33.962 1.00 19.84 C +ATOM 30 CG TYR A 4 59.640 60.000 33.541 1.00 22.61 C +ATOM 31 CD1 TYR A 4 58.625 60.213 32.614 1.00 25.37 C +ATOM 32 CD2 TYR A 4 59.718 58.750 34.137 1.00 23.80 C +ATOM 33 CE1 TYR A 4 57.776 59.186 32.209 1.00 24.53 C +ATOM 34 CE2 TYR A 4 58.878 57.707 33.754 1.00 24.37 C +ATOM 35 CZ TYR A 4 57.892 57.938 32.803 1.00 26.29 C +ATOM 36 OH TYR A 4 56.999 56.963 32.472 1.00 27.94 O +ATOM 37 N LYS A 5 62.654 63.574 32.804 1.00 21.98 N +ATOM 38 CA LYS A 5 63.343 64.814 33.163 1.00 21.34 C +ATOM 39 C LYS A 5 62.328 65.837 33.628 1.00 21.86 C +ATOM 40 O LYS A 5 61.501 66.235 32.804 1.00 12.99 O +ATOM 41 CB LYS A 5 63.994 65.335 31.900 1.00 26.60 C +ATOM 42 CG LYS A 5 65.269 66.127 32.133 1.00 27.87 C +ATOM 43 CD LYS A 5 65.896 66.528 30.824 1.00 31.02 C +ATOM 44 CE LYS A 5 67.407 66.627 30.929 1.00 36.30 C +ATOM 45 NZ LYS A 5 68.009 67.109 29.676 1.00 39.25 N +ATOM 46 N LEU A 6 62.263 66.117 34.955 1.00 19.48 N +ATOM 47 CA LEU A 6 61.321 67.068 35.557 1.00 18.99 C +ATOM 48 C LEU A 6 62.005 68.430 35.889 1.00 25.96 C +ATOM 49 O LEU A 6 63.149 68.470 36.346 1.00 29.09 O +ATOM 50 CB LEU A 6 60.680 66.524 36.868 1.00 15.97 C +ATOM 51 CG LEU A 6 60.525 65.013 36.925 1.00 14.07 C +ATOM 52 CD1 LEU A 6 59.698 64.639 38.132 1.00 12.71 C +ATOM 53 CD2 LEU A 6 59.743 64.607 35.722 1.00 14.89 C +ATOM 54 N VAL A 7 61.262 69.537 35.872 1.00 26.78 N +ATOM 55 CA VAL A 7 61.816 70.843 36.298 1.00 22.56 C +ATOM 56 C VAL A 7 60.927 71.423 37.418 1.00 21.07 C +ATOM 57 O VAL A 7 59.692 71.427 37.325 1.00 22.88 O +ATOM 58 CB VAL A 7 61.991 71.823 35.107 1.00 20.28 C +ATOM 59 CG1 VAL A 7 62.765 73.079 35.499 1.00 12.47 C +ATOM 60 CG2 VAL A 7 62.650 71.132 33.898 1.00 15.70 C +ATOM 61 N VAL A 8 61.498 71.813 38.555 1.00 15.37 N +ATOM 62 CA VAL A 8 60.679 72.367 39.654 1.00 10.28 C +ATOM 63 C VAL A 8 60.727 73.872 39.640 1.00 12.45 C +ATOM 64 O VAL A 8 61.809 74.366 39.868 1.00 10.21 O +ATOM 65 CB VAL A 8 61.139 71.856 41.009 1.00 11.25 C +ATOM 66 CG1 VAL A 8 60.078 72.167 42.033 1.00 9.88 C +ATOM 67 CG2 VAL A 8 61.270 70.340 40.968 1.00 12.83 C +ATOM 68 N VAL A 9 59.634 74.564 39.156 1.00 13.62 N +ATOM 69 CA VAL A 9 59.571 76.046 39.028 1.00 18.78 C +ATOM 70 C VAL A 9 58.623 76.689 40.018 1.00 16.93 C +ATOM 71 O VAL A 9 57.714 76.052 40.508 1.00 19.90 O +ATOM 72 CB VAL A 9 59.235 76.620 37.635 1.00 20.16 C +ATOM 73 CG1 VAL A 9 60.090 76.086 36.483 1.00 22.17 C +ATOM 74 CG2 VAL A 9 57.771 76.459 37.309 1.00 21.11 C +ATOM 75 N GLY A 10 58.756 78.003 40.200 1.00 20.76 N +ATOM 76 CA GLY A 10 57.884 78.740 41.117 1.00 21.62 C +ATOM 77 C GLY A 10 58.619 79.896 41.759 1.00 26.45 C +ATOM 78 O GLY A 10 59.850 79.904 41.755 1.00 27.47 O +ATOM 79 N ALA A 11 57.890 80.858 42.332 1.00 26.13 N +ATOM 80 CA ALA A 11 58.552 81.987 42.956 1.00 25.93 C +ATOM 81 C ALA A 11 59.569 81.503 43.944 1.00 23.69 C +ATOM 82 O ALA A 11 59.455 80.387 44.365 1.00 24.21 O +ATOM 83 CB ALA A 11 57.549 82.864 43.658 1.00 26.90 C +ATOM 84 N GLY A 12 60.595 82.278 44.269 1.00 22.26 N +ATOM 85 CA GLY A 12 61.571 81.785 45.217 1.00 25.02 C +ATOM 86 C GLY A 12 60.901 81.722 46.589 1.00 27.09 C +ATOM 87 O GLY A 12 59.987 82.469 46.761 1.00 29.72 O +ATOM 88 N GLY A 13 61.304 80.860 47.568 1.00 28.07 N +ATOM 89 CA GLY A 13 60.642 80.873 48.888 1.00 22.99 C +ATOM 90 C GLY A 13 59.436 79.929 49.144 1.00 25.49 C +ATOM 91 O GLY A 13 59.173 79.600 50.308 1.00 26.63 O +ATOM 92 N VAL A 14 58.803 79.406 48.055 1.00 26.13 N +ATOM 93 CA VAL A 14 57.641 78.485 47.990 1.00 23.24 C +ATOM 94 C VAL A 14 57.879 77.071 48.453 1.00 28.14 C +ATOM 95 O VAL A 14 56.968 76.400 48.972 1.00 31.88 O +ATOM 96 CB VAL A 14 57.058 78.372 46.614 1.00 18.92 C +ATOM 97 CG1 VAL A 14 56.696 79.736 46.097 1.00 15.55 C +ATOM 98 CG2 VAL A 14 57.997 77.618 45.697 1.00 18.28 C +ATOM 99 N GLY A 15 59.048 76.535 48.226 1.00 27.74 N +ATOM 100 CA GLY A 15 59.206 75.188 48.745 1.00 25.42 C +ATOM 101 C GLY A 15 59.888 74.224 47.799 1.00 25.35 C +ATOM 102 O GLY A 15 59.987 73.056 48.130 1.00 28.41 O +ATOM 103 N LYS A 16 60.435 74.740 46.688 1.00 18.74 N +ATOM 104 CA LYS A 16 61.144 73.950 45.708 1.00 17.73 C +ATOM 105 C LYS A 16 62.238 73.046 46.298 1.00 21.78 C +ATOM 106 O LYS A 16 62.233 71.828 46.107 1.00 20.21 O +ATOM 107 CB LYS A 16 61.698 74.849 44.631 1.00 11.68 C +ATOM 108 CG LYS A 16 60.618 75.791 44.111 1.00 12.94 C +ATOM 109 CD LYS A 16 61.014 76.562 42.857 1.00 10.76 C +ATOM 110 CE LYS A 16 62.053 77.627 43.130 1.00 8.84 C +ATOM 111 NZ LYS A 16 61.650 78.392 44.338 1.00 13.23 N +ATOM 112 N SER A 17 63.187 73.662 47.013 1.00 24.55 N +ATOM 113 CA SER A 17 64.267 72.923 47.617 1.00 23.83 C +ATOM 114 C SER A 17 63.734 71.953 48.649 1.00 26.50 C +ATOM 115 O SER A 17 64.057 70.779 48.535 1.00 30.19 O +ATOM 116 CB SER A 17 65.406 73.822 48.104 1.00 23.03 C +ATOM 117 OG SER A 17 65.781 74.691 47.033 1.00 20.77 O +ATOM 118 N ALA A 18 62.802 72.392 49.547 1.00 20.75 N +ATOM 119 CA ALA A 18 62.267 71.492 50.525 1.00 18.63 C +ATOM 120 C ALA A 18 61.513 70.292 49.949 1.00 21.52 C +ATOM 121 O ALA A 18 61.726 69.133 50.375 1.00 19.28 O +ATOM 122 CB ALA A 18 61.496 72.179 51.614 1.00 18.76 C +ATOM 123 N LEU A 19 60.589 70.585 49.021 1.00 20.58 N +ATOM 124 CA LEU A 19 59.850 69.572 48.299 1.00 20.37 C +ATOM 125 C LEU A 19 60.792 68.554 47.726 1.00 23.40 C +ATOM 126 O LEU A 19 60.665 67.346 47.921 1.00 28.44 O +ATOM 127 CB LEU A 19 59.161 70.174 47.104 1.00 20.54 C +ATOM 128 CG LEU A 19 57.789 70.641 47.431 1.00 20.54 C +ATOM 129 CD1 LEU A 19 57.240 71.249 46.160 1.00 17.01 C +ATOM 130 CD2 LEU A 19 56.930 69.454 47.885 1.00 23.01 C +ATOM 131 N THR A 20 61.736 69.064 46.954 1.00 21.80 N +ATOM 132 CA THR A 20 62.712 68.222 46.310 1.00 21.16 C +ATOM 133 C THR A 20 63.584 67.428 47.268 1.00 26.17 C +ATOM 134 O THR A 20 63.831 66.271 46.953 1.00 26.93 O +ATOM 135 CB THR A 20 63.549 69.015 45.313 1.00 19.15 C +ATOM 136 OG1 THR A 20 62.667 69.668 44.439 1.00 14.11 O +ATOM 137 CG2 THR A 20 64.527 68.091 44.566 1.00 14.79 C +ATOM 138 N ILE A 21 64.037 68.023 48.436 1.00 28.22 N +ATOM 139 CA ILE A 21 64.894 67.298 49.352 1.00 24.95 C +ATOM 140 C ILE A 21 64.157 66.159 49.980 1.00 30.37 C +ATOM 141 O ILE A 21 64.736 65.145 50.343 1.00 34.49 O +ATOM 142 CB ILE A 21 65.527 68.123 50.455 1.00 23.70 C +ATOM 143 CG1 ILE A 21 66.483 69.094 49.847 1.00 21.15 C +ATOM 144 CG2 ILE A 21 66.322 67.180 51.311 1.00 20.45 C +ATOM 145 CD1 ILE A 21 67.280 68.418 48.754 1.00 20.20 C +ATOM 146 N GLN A 22 62.865 66.386 50.174 1.00 33.18 N +ATOM 147 CA GLN A 22 61.944 65.446 50.785 1.00 30.33 C +ATOM 148 C GLN A 22 61.781 64.174 49.975 1.00 30.73 C +ATOM 149 O GLN A 22 61.795 63.057 50.520 1.00 30.39 O +ATOM 150 CB GLN A 22 60.592 66.139 50.919 1.00 25.94 C +ATOM 151 CG GLN A 22 60.426 66.826 52.276 1.00 26.80 C +ATOM 152 CD GLN A 22 60.194 65.829 53.387 1.00 26.98 C +ATOM 153 OE1 GLN A 22 60.193 64.628 53.185 1.00 28.09 O +ATOM 154 NE2 GLN A 22 59.929 66.331 54.568 1.00 28.27 N +ATOM 155 N LEU A 23 61.517 64.355 48.667 1.00 28.30 N +ATOM 156 CA LEU A 23 61.394 63.224 47.762 1.00 23.23 C +ATOM 157 C LEU A 23 62.713 62.482 47.722 1.00 21.78 C +ATOM 158 O LEU A 23 62.800 61.305 47.996 1.00 19.96 O +ATOM 159 CB LEU A 23 61.063 63.738 46.366 1.00 20.56 C +ATOM 160 CG LEU A 23 61.098 62.612 45.351 1.00 20.72 C +ATOM 161 CD1 LEU A 23 59.734 62.009 45.142 1.00 15.23 C +ATOM 162 CD2 LEU A 23 61.609 63.124 44.029 1.00 20.60 C +ATOM 163 N ILE A 24 63.769 63.236 47.478 1.00 23.82 N +ATOM 164 CA ILE A 24 65.128 62.744 47.373 1.00 26.44 C +ATOM 165 C ILE A 24 65.592 62.057 48.654 1.00 30.35 C +ATOM 166 O ILE A 24 65.955 60.905 48.618 1.00 32.61 O +ATOM 167 CB ILE A 24 66.124 63.885 47.015 1.00 25.12 C +ATOM 168 CG1 ILE A 24 66.022 64.365 45.570 1.00 18.54 C +ATOM 169 CG2 ILE A 24 67.551 63.499 47.348 1.00 26.38 C +ATOM 170 CD1 ILE A 24 65.792 63.216 44.629 1.00 13.89 C +ATOM 171 N GLN A 25 65.536 62.741 49.797 1.00 30.16 N +ATOM 172 CA GLN A 25 66.101 62.201 51.012 1.00 31.44 C +ATOM 173 C GLN A 25 65.183 62.076 52.186 1.00 31.83 C +ATOM 174 O GLN A 25 65.561 61.701 53.282 1.00 31.12 O +ATOM 175 CB GLN A 25 67.300 63.014 51.417 1.00 38.00 C +ATOM 176 CG GLN A 25 68.317 63.009 50.276 1.00 45.89 C +ATOM 177 CD GLN A 25 69.388 64.044 50.546 1.00 51.89 C +ATOM 178 OE1 GLN A 25 69.253 64.787 51.545 1.00 54.82 O +ATOM 179 NE2 GLN A 25 70.418 64.109 49.676 1.00 51.43 N +ATOM 180 N ASN A 26 63.970 62.403 52.005 1.00 33.34 N +ATOM 181 CA ASN A 26 63.098 62.153 53.100 1.00 37.05 C +ATOM 182 C ASN A 26 63.449 62.909 54.361 1.00 37.43 C +ATOM 183 O ASN A 26 63.418 62.310 55.410 1.00 39.78 O +ATOM 184 CB ASN A 26 63.025 60.627 53.407 1.00 40.92 C +ATOM 185 CG ASN A 26 62.805 59.759 52.169 1.00 45.49 C +ATOM 186 OD1 ASN A 26 63.525 58.775 51.961 1.00 49.19 O +ATOM 187 ND2 ASN A 26 61.821 60.108 51.315 1.00 46.10 N +ATOM 188 N HIS A 27 63.777 64.185 54.240 1.00 38.10 N +ATOM 189 CA HIS A 27 64.022 65.084 55.356 1.00 40.36 C +ATOM 190 C HIS A 27 63.627 66.507 54.954 1.00 36.11 C +ATOM 191 O HIS A 27 63.811 66.905 53.830 1.00 33.77 O +ATOM 192 CB HIS A 27 65.426 64.951 56.063 1.00 44.95 C +ATOM 193 CG HIS A 27 66.662 64.949 55.160 1.00 51.80 C +ATOM 194 ND1 HIS A 27 67.338 66.122 54.813 1.00 53.41 N +ATOM 195 CD2 HIS A 27 67.346 63.907 54.559 1.00 54.67 C +ATOM 196 CE1 HIS A 27 68.366 65.784 54.025 1.00 53.44 C +ATOM 197 NE2 HIS A 27 68.408 64.465 53.853 1.00 55.01 N +ATOM 198 N PHE A 28 62.933 67.213 55.825 1.00 34.12 N +ATOM 199 CA PHE A 28 62.546 68.572 55.547 1.00 30.12 C +ATOM 200 C PHE A 28 63.708 69.490 55.784 1.00 32.86 C +ATOM 201 O PHE A 28 64.178 69.617 56.915 1.00 33.35 O +ATOM 202 CB PHE A 28 61.422 69.046 56.458 1.00 26.72 C +ATOM 203 CG PHE A 28 61.199 70.559 56.475 1.00 26.26 C +ATOM 204 CD1 PHE A 28 60.667 71.214 55.359 1.00 26.92 C +ATOM 205 CD2 PHE A 28 61.415 71.320 57.626 1.00 24.95 C +ATOM 206 CE1 PHE A 28 60.343 72.574 55.411 1.00 25.79 C +ATOM 207 CE2 PHE A 28 61.064 72.670 57.712 1.00 24.72 C +ATOM 208 CZ PHE A 28 60.559 73.310 56.576 1.00 24.11 C +ATOM 209 N VAL A 29 64.171 70.146 54.729 1.00 30.68 N +ATOM 210 CA VAL A 29 65.223 71.079 54.904 1.00 28.29 C +ATOM 211 C VAL A 29 64.770 72.512 54.764 1.00 28.57 C +ATOM 212 O VAL A 29 64.219 72.876 53.757 1.00 27.44 O +ATOM 213 CB VAL A 29 66.527 70.764 54.156 1.00 30.70 C +ATOM 214 CG1 VAL A 29 67.152 69.459 54.608 1.00 31.77 C +ATOM 215 CG2 VAL A 29 66.314 70.666 52.656 1.00 30.93 C +ATOM 216 N ASP A 30 64.857 73.269 55.851 1.00 33.65 N +ATOM 217 CA ASP A 30 64.768 74.734 55.880 1.00 36.69 C +ATOM 218 C ASP A 30 66.213 75.098 55.840 1.00 41.32 C +ATOM 219 O ASP A 30 67.056 74.242 56.203 1.00 43.76 O +ATOM 220 CB ASP A 30 64.243 75.304 57.194 1.00 37.29 C +ATOM 221 CG ASP A 30 64.885 74.695 58.444 1.00 42.31 C +ATOM 222 OD1 ASP A 30 64.495 73.677 58.999 1.00 45.06 O +ATOM 223 OD2 ASP A 30 65.871 75.386 58.928 1.00 41.81 O +ATOM 224 N GLU A 31 66.545 76.312 55.532 1.00 40.97 N +ATOM 225 CA GLU A 31 67.979 76.618 55.533 1.00 46.89 C +ATOM 226 C GLU A 31 68.658 76.228 54.213 1.00 45.26 C +ATOM 227 O GLU A 31 69.875 76.341 54.116 1.00 46.38 O +ATOM 228 CB GLU A 31 68.833 76.021 56.741 1.00 54.94 C +ATOM 229 CG GLU A 31 68.565 76.481 58.249 1.00 59.73 C +ATOM 230 CD GLU A 31 69.253 75.658 59.404 1.00 62.22 C +ATOM 231 OE1 GLU A 31 70.181 74.843 59.236 1.00 60.63 O +ATOM 232 OE2 GLU A 31 68.757 75.917 60.620 1.00 62.04 O +ATOM 233 N TYR A 32 67.920 75.721 53.204 1.00 42.38 N +ATOM 234 CA TYR A 32 68.580 75.393 51.926 1.00 37.40 C +ATOM 235 C TYR A 32 68.832 76.648 51.142 1.00 34.35 C +ATOM 236 O TYR A 32 67.973 77.503 50.970 1.00 33.60 O +ATOM 237 CB TYR A 32 67.903 74.287 51.093 1.00 34.17 C +ATOM 238 CG TYR A 32 68.644 73.776 49.842 1.00 30.53 C +ATOM 239 CD1 TYR A 32 69.482 72.660 49.875 1.00 28.66 C +ATOM 240 CD2 TYR A 32 68.322 74.278 48.584 1.00 29.62 C +ATOM 241 CE1 TYR A 32 70.061 72.126 48.723 1.00 27.21 C +ATOM 242 CE2 TYR A 32 68.937 73.816 47.426 1.00 27.89 C +ATOM 243 CZ TYR A 32 69.782 72.711 47.490 1.00 28.93 C +ATOM 244 OH TYR A 32 70.380 72.265 46.335 1.00 29.40 O +ATOM 245 N ASP A 33 70.069 76.814 50.746 1.00 35.03 N +ATOM 246 CA ASP A 33 70.485 78.000 50.019 1.00 34.53 C +ATOM 247 C ASP A 33 69.547 78.362 48.882 1.00 31.93 C +ATOM 248 O ASP A 33 69.280 77.605 47.954 1.00 30.92 O +ATOM 249 CB ASP A 33 71.913 77.830 49.543 1.00 36.27 C +ATOM 250 CG ASP A 33 72.517 79.100 49.065 1.00 38.81 C +ATOM 251 OD1 ASP A 33 71.871 80.096 48.756 1.00 37.73 O +ATOM 252 OD2 ASP A 33 73.822 79.011 49.026 1.00 41.14 O +ATOM 253 N PRO A 34 68.999 79.527 49.029 1.00 33.24 N +ATOM 254 CA PRO A 34 68.030 80.053 48.116 1.00 34.25 C +ATOM 255 C PRO A 34 68.538 80.204 46.724 1.00 36.41 C +ATOM 256 O PRO A 34 67.764 80.416 45.805 1.00 39.04 O +ATOM 257 CB PRO A 34 67.667 81.422 48.676 1.00 34.39 C +ATOM 258 CG PRO A 34 68.067 81.413 50.136 1.00 34.12 C +ATOM 259 CD PRO A 34 68.795 80.105 50.377 1.00 34.27 C +ATOM 260 N THR A 35 69.847 80.188 46.558 1.00 35.03 N +ATOM 261 CA THR A 35 70.396 80.413 45.243 1.00 32.59 C +ATOM 262 C THR A 35 70.923 79.196 44.595 1.00 31.35 C +ATOM 263 O THR A 35 71.396 79.278 43.492 1.00 34.04 O +ATOM 264 CB THR A 35 71.484 81.494 45.203 1.00 30.77 C +ATOM 265 OG1 THR A 35 72.512 81.164 46.115 1.00 31.46 O +ATOM 266 CG2 THR A 35 70.900 82.864 45.492 1.00 30.84 C +ATOM 267 N ILE A 36 70.911 78.099 45.280 1.00 31.28 N +ATOM 268 CA ILE A 36 71.494 76.907 44.741 1.00 31.18 C +ATOM 269 C ILE A 36 70.618 76.130 43.773 1.00 32.94 C +ATOM 270 O ILE A 36 69.607 75.528 44.153 1.00 35.14 O +ATOM 271 CB ILE A 36 71.972 76.111 45.898 1.00 32.83 C +ATOM 272 CG1 ILE A 36 73.309 76.682 46.315 1.00 34.86 C +ATOM 273 CG2 ILE A 36 72.032 74.633 45.601 1.00 31.58 C +ATOM 274 CD1 ILE A 36 73.670 76.247 47.733 1.00 36.20 C +ATOM 275 N GLU A 37 70.985 76.198 42.491 1.00 29.22 N +ATOM 276 CA GLU A 37 70.255 75.502 41.473 1.00 27.90 C +ATOM 277 C GLU A 37 70.886 74.159 41.281 1.00 30.95 C +ATOM 278 O GLU A 37 72.064 74.068 40.988 1.00 31.75 O +ATOM 279 CB GLU A 37 70.201 76.271 40.151 1.00 24.40 C +ATOM 280 CG GLU A 37 69.167 75.673 39.217 1.00 25.65 C +ATOM 281 CD GLU A 37 68.837 76.608 38.116 1.00 24.59 C +ATOM 282 OE1 GLU A 37 69.724 76.542 37.209 1.00 25.97 O +ATOM 283 OE2 GLU A 37 67.970 77.458 38.138 1.00 26.38 O +ATOM 284 N ASP A 38 70.160 73.090 41.532 1.00 30.20 N +ATOM 285 CA ASP A 38 70.820 71.832 41.373 1.00 27.29 C +ATOM 286 C ASP A 38 69.827 70.779 40.982 1.00 28.21 C +ATOM 287 O ASP A 38 68.617 70.934 41.120 1.00 30.49 O +ATOM 288 CB ASP A 38 71.581 71.485 42.649 1.00 29.24 C +ATOM 289 CG ASP A 38 72.792 70.636 42.450 1.00 29.82 C +ATOM 290 OD1 ASP A 38 73.182 70.251 41.371 1.00 31.78 O +ATOM 291 OD2 ASP A 38 73.384 70.342 43.574 1.00 32.81 O +ATOM 292 N SER A 39 70.329 69.767 40.343 1.00 27.86 N +ATOM 293 CA SER A 39 69.497 68.683 39.905 1.00 25.26 C +ATOM 294 C SER A 39 69.832 67.476 40.755 1.00 25.54 C +ATOM 295 O SER A 39 71.009 67.302 41.121 1.00 23.15 O +ATOM 296 CB SER A 39 69.843 68.377 38.492 1.00 26.33 C +ATOM 297 OG SER A 39 71.165 67.925 38.511 1.00 28.56 O +ATOM 298 N TYR A 40 68.798 66.638 41.002 1.00 26.57 N +ATOM 299 CA TYR A 40 68.865 65.468 41.831 1.00 26.08 C +ATOM 300 C TYR A 40 68.252 64.314 41.112 1.00 29.65 C +ATOM 301 O TYR A 40 67.407 64.518 40.259 1.00 31.97 O +ATOM 302 CB TYR A 40 68.004 65.702 43.054 1.00 28.42 C +ATOM 303 CG TYR A 40 68.500 66.848 43.871 1.00 29.92 C +ATOM 304 CD1 TYR A 40 68.126 68.146 43.527 1.00 29.50 C +ATOM 305 CD2 TYR A 40 69.367 66.648 44.950 1.00 31.67 C +ATOM 306 CE1 TYR A 40 68.623 69.250 44.214 1.00 28.11 C +ATOM 307 CE2 TYR A 40 69.869 67.746 45.658 1.00 28.79 C +ATOM 308 CZ TYR A 40 69.487 69.037 45.283 1.00 30.66 C +ATOM 309 OH TYR A 40 69.912 70.110 45.987 1.00 36.24 O +ATOM 310 N ARG A 41 68.733 63.102 41.436 1.00 29.59 N +ATOM 311 CA ARG A 41 68.233 61.842 40.903 1.00 26.59 C +ATOM 312 C ARG A 41 67.507 61.026 41.929 1.00 21.55 C +ATOM 313 O ARG A 41 67.794 61.047 43.139 1.00 22.48 O +ATOM 314 CB ARG A 41 69.254 61.035 40.118 1.00 30.39 C +ATOM 315 CG ARG A 41 69.467 61.683 38.775 1.00 35.64 C +ATOM 316 CD ARG A 41 70.634 61.087 38.037 1.00 41.26 C +ATOM 317 NE ARG A 41 70.491 61.310 36.588 1.00 46.96 N +ATOM 318 CZ ARG A 41 71.155 60.658 35.588 1.00 49.03 C +ATOM 319 NH1 ARG A 41 72.058 59.703 35.905 1.00 47.87 N +ATOM 320 NH2 ARG A 41 70.936 60.952 34.279 1.00 47.59 N +ATOM 321 N LYS A 42 66.528 60.304 41.446 1.00 20.05 N +ATOM 322 CA LYS A 42 65.767 59.481 42.326 1.00 18.09 C +ATOM 323 C LYS A 42 65.144 58.359 41.550 1.00 17.00 C +ATOM 324 O LYS A 42 64.477 58.557 40.497 1.00 11.86 O +ATOM 325 CB LYS A 42 64.769 60.335 43.004 1.00 20.62 C +ATOM 326 CG LYS A 42 63.587 59.590 43.566 1.00 24.14 C +ATOM 327 CD LYS A 42 63.747 59.218 45.054 1.00 29.60 C +ATOM 328 CE LYS A 42 62.388 59.051 45.775 1.00 33.26 C +ATOM 329 NZ LYS A 42 62.474 58.504 47.150 1.00 34.36 N +ATOM 330 N GLN A 43 65.526 57.158 41.982 1.00 17.16 N +ATOM 331 CA GLN A 43 65.010 55.962 41.386 1.00 17.97 C +ATOM 332 C GLN A 43 63.725 55.569 42.067 1.00 19.09 C +ATOM 333 O GLN A 43 63.694 55.320 43.280 1.00 15.46 O +ATOM 334 CB GLN A 43 66.004 54.829 41.531 1.00 17.23 C +ATOM 335 CG GLN A 43 65.644 53.612 40.694 1.00 21.49 C +ATOM 336 CD GLN A 43 66.689 52.569 40.913 1.00 25.05 C +ATOM 337 OE1 GLN A 43 66.438 51.559 41.545 1.00 31.04 O +ATOM 338 NE2 GLN A 43 67.900 52.871 40.532 1.00 24.89 N +ATOM 339 N VAL A 44 62.646 55.394 41.302 1.00 20.78 N +ATOM 340 CA VAL A 44 61.378 55.053 41.951 1.00 15.31 C +ATOM 341 C VAL A 44 60.537 54.259 40.985 1.00 17.88 C +ATOM 342 O VAL A 44 60.708 54.324 39.777 1.00 22.29 O +ATOM 343 CB VAL A 44 60.709 56.377 42.440 1.00 14.23 C +ATOM 344 CG1 VAL A 44 60.342 57.205 41.219 1.00 9.51 C +ATOM 345 CG2 VAL A 44 59.433 56.207 43.256 1.00 17.05 C +ATOM 346 N VAL A 45 59.730 53.386 41.519 1.00 19.54 N +ATOM 347 CA VAL A 45 58.776 52.612 40.754 1.00 18.77 C +ATOM 348 C VAL A 45 57.422 53.280 40.911 1.00 18.27 C +ATOM 349 O VAL A 45 56.962 53.459 42.013 1.00 16.80 O +ATOM 350 CB VAL A 45 58.675 51.176 41.255 1.00 18.69 C +ATOM 351 CG1 VAL A 45 57.830 50.374 40.274 1.00 18.92 C +ATOM 352 CG2 VAL A 45 60.073 50.601 41.372 1.00 20.59 C +ATOM 353 N ILE A 46 56.761 53.574 39.805 1.00 19.53 N +ATOM 354 CA ILE A 46 55.456 54.191 39.760 1.00 16.96 C +ATOM 355 C ILE A 46 54.639 53.402 38.853 1.00 21.82 C +ATOM 356 O ILE A 46 54.960 53.281 37.691 1.00 24.65 O +ATOM 357 CB ILE A 46 55.552 55.533 39.109 1.00 13.77 C +ATOM 358 CG1 ILE A 46 56.428 56.386 39.993 1.00 16.19 C +ATOM 359 CG2 ILE A 46 54.149 56.105 38.921 1.00 13.17 C +ATOM 360 CD1 ILE A 46 56.892 57.665 39.329 1.00 19.61 C +ATOM 361 N ASP A 47 53.550 52.923 39.378 1.00 27.16 N +ATOM 362 CA ASP A 47 52.628 52.129 38.596 1.00 27.87 C +ATOM 363 C ASP A 47 53.308 50.935 37.933 1.00 27.17 C +ATOM 364 O ASP A 47 53.032 50.643 36.775 1.00 30.42 O +ATOM 365 CB ASP A 47 51.785 52.929 37.578 1.00 26.43 C +ATOM 366 CG ASP A 47 51.208 54.176 38.122 1.00 26.13 C +ATOM 367 OD1 ASP A 47 50.717 54.259 39.253 1.00 24.93 O +ATOM 368 OD2 ASP A 47 51.349 55.180 37.266 1.00 23.86 O +ATOM 369 N GLY A 48 54.248 50.299 38.625 1.00 24.96 N +ATOM 370 CA GLY A 48 54.905 49.123 38.103 1.00 21.50 C +ATOM 371 C GLY A 48 55.965 49.415 37.098 1.00 24.00 C +ATOM 372 O GLY A 48 56.459 48.521 36.424 1.00 28.26 O +ATOM 373 N GLU A 49 56.273 50.706 36.943 1.00 23.92 N +ATOM 374 CA GLU A 49 57.352 51.147 36.085 1.00 23.05 C +ATOM 375 C GLU A 49 58.593 51.594 36.898 1.00 24.27 C +ATOM 376 O GLU A 49 58.457 52.288 37.895 1.00 25.25 O +ATOM 377 CB GLU A 49 56.848 52.293 35.263 1.00 24.40 C +ATOM 378 CG GLU A 49 57.903 52.756 34.271 1.00 28.60 C +ATOM 379 CD GLU A 49 57.395 53.920 33.470 1.00 28.58 C +ATOM 380 OE1 GLU A 49 56.683 54.791 33.969 1.00 26.94 O +ATOM 381 OE2 GLU A 49 57.745 53.833 32.193 1.00 30.11 O +ATOM 382 N THR A 50 59.819 51.164 36.522 1.00 21.29 N +ATOM 383 CA THR A 50 61.008 51.663 37.190 1.00 17.03 C +ATOM 384 C THR A 50 61.445 52.935 36.521 1.00 15.95 C +ATOM 385 O THR A 50 61.728 52.985 35.304 1.00 20.16 O +ATOM 386 CB THR A 50 62.142 50.662 37.340 1.00 16.53 C +ATOM 387 OG1 THR A 50 61.635 49.481 37.985 1.00 17.32 O +ATOM 388 CG2 THR A 50 63.210 51.300 38.207 1.00 12.95 C +ATOM 389 N CYS A 51 61.363 53.991 37.282 1.00 15.62 N +ATOM 390 CA CYS A 51 61.652 55.338 36.816 1.00 16.93 C +ATOM 391 C CYS A 51 62.917 55.942 37.392 1.00 21.55 C +ATOM 392 O CYS A 51 63.175 55.854 38.593 1.00 26.55 O +ATOM 393 CB CYS A 51 60.489 56.277 37.184 1.00 20.80 C +ATOM 394 SG CYS A 51 58.920 55.619 36.675 1.00 29.01 S +ATOM 395 N LEU A 52 63.590 56.750 36.571 1.00 21.78 N +ATOM 396 CA LEU A 52 64.729 57.485 37.042 1.00 19.50 C +ATOM 397 C LEU A 52 64.399 58.951 36.806 1.00 17.81 C +ATOM 398 O LEU A 52 64.292 59.385 35.672 1.00 11.99 O +ATOM 399 CB LEU A 52 66.058 57.040 36.392 1.00 22.38 C +ATOM 400 CG LEU A 52 67.299 57.551 37.150 1.00 24.73 C +ATOM 401 CD1 LEU A 52 67.408 59.080 37.030 1.00 28.15 C +ATOM 402 CD2 LEU A 52 67.235 57.196 38.645 1.00 25.14 C +ATOM 403 N LEU A 53 63.956 59.578 37.892 1.00 13.53 N +ATOM 404 CA LEU A 53 63.588 60.972 37.980 1.00 18.59 C +ATOM 405 C LEU A 53 64.849 61.809 38.062 1.00 21.27 C +ATOM 406 O LEU A 53 65.654 61.626 38.964 1.00 23.42 O +ATOM 407 CB LEU A 53 62.769 61.191 39.272 1.00 14.95 C +ATOM 408 CG LEU A 53 61.241 60.927 39.181 1.00 16.88 C +ATOM 409 CD1 LEU A 53 60.833 59.677 38.430 1.00 17.53 C +ATOM 410 CD2 LEU A 53 60.679 60.820 40.583 1.00 17.95 C +ATOM 411 N ASP A 54 65.085 62.628 37.068 1.00 21.21 N +ATOM 412 CA ASP A 54 66.207 63.547 37.025 1.00 22.37 C +ATOM 413 C ASP A 54 65.582 64.917 37.278 1.00 19.89 C +ATOM 414 O ASP A 54 64.952 65.402 36.352 1.00 14.62 O +ATOM 415 CB ASP A 54 66.752 63.532 35.565 1.00 25.33 C +ATOM 416 CG ASP A 54 67.859 64.516 35.191 1.00 29.83 C +ATOM 417 OD1 ASP A 54 68.271 65.292 36.150 1.00 29.98 O +ATOM 418 OD2 ASP A 54 68.391 64.515 34.098 1.00 35.70 O +ATOM 419 N ILE A 55 65.637 65.477 38.501 1.00 17.83 N +ATOM 420 CA ILE A 55 64.970 66.729 38.777 1.00 17.67 C +ATOM 421 C ILE A 55 65.859 67.964 38.827 1.00 19.23 C +ATOM 422 O ILE A 55 66.785 68.047 39.626 1.00 19.07 O +ATOM 423 CB ILE A 55 64.082 66.671 40.067 1.00 18.85 C +ATOM 424 CG1 ILE A 55 63.145 65.459 40.154 1.00 20.87 C +ATOM 425 CG2 ILE A 55 63.216 67.924 40.156 1.00 16.58 C +ATOM 426 CD1 ILE A 55 63.505 64.425 41.202 1.00 22.51 C +ATOM 427 N LEU A 56 65.495 69.027 38.079 1.00 21.43 N +ATOM 428 CA LEU A 56 66.172 70.310 38.235 1.00 17.42 C +ATOM 429 C LEU A 56 65.447 71.136 39.255 1.00 19.33 C +ATOM 430 O LEU A 56 64.297 71.480 39.013 1.00 18.45 O +ATOM 431 CB LEU A 56 66.270 71.172 36.959 1.00 17.75 C +ATOM 432 CG LEU A 56 67.031 72.522 37.118 1.00 10.93 C +ATOM 433 CD1 LEU A 56 68.513 72.309 37.161 1.00 12.22 C +ATOM 434 CD2 LEU A 56 66.767 73.476 35.967 1.00 12.42 C +ATOM 435 N ASP A 57 66.075 71.387 40.420 1.00 18.62 N +ATOM 436 CA ASP A 57 65.540 72.290 41.450 1.00 18.36 C +ATOM 437 C ASP A 57 65.968 73.680 40.986 1.00 22.88 C +ATOM 438 O ASP A 57 67.149 74.011 41.052 1.00 22.00 O +ATOM 439 CB ASP A 57 66.165 72.061 42.868 1.00 17.96 C +ATOM 440 CG ASP A 57 65.688 73.082 43.894 1.00 19.15 C +ATOM 441 OD1 ASP A 57 64.793 73.842 43.679 1.00 18.24 O +ATOM 442 OD2 ASP A 57 66.215 73.001 45.092 1.00 20.64 O +ATOM 443 N THR A 58 65.063 74.512 40.499 1.00 23.87 N +ATOM 444 CA THR A 58 65.530 75.799 40.013 1.00 24.84 C +ATOM 445 C THR A 58 65.746 76.792 41.115 1.00 26.36 C +ATOM 446 O THR A 58 65.155 76.683 42.177 1.00 25.54 O +ATOM 447 CB THR A 58 64.651 76.371 38.902 1.00 24.07 C +ATOM 448 OG1 THR A 58 63.383 76.489 39.409 1.00 25.55 O +ATOM 449 CG2 THR A 58 64.562 75.446 37.723 1.00 20.47 C +ATOM 450 N ALA A 59 66.571 77.767 40.788 1.00 34.42 N +ATOM 451 CA ALA A 59 66.924 78.902 41.618 1.00 43.36 C +ATOM 452 C ALA A 59 67.629 79.945 40.783 1.00 51.20 C +ATOM 453 O ALA A 59 68.399 79.588 39.881 1.00 52.09 O +ATOM 454 CB ALA A 59 67.831 78.512 42.755 1.00 44.88 C +ATOM 455 N GLY A 60 67.383 81.220 41.120 1.00 56.94 N +ATOM 456 CA GLY A 60 67.956 82.378 40.426 1.00 61.56 C +ATOM 457 C GLY A 60 66.975 83.115 39.495 1.00 66.07 C +ATOM 458 O GLY A 60 66.511 82.575 38.478 1.00 64.52 O +ATOM 459 N GLN A 61 66.660 84.373 39.889 1.00 71.18 N +ATOM 460 CA GLN A 61 65.797 85.311 39.135 1.00 73.98 C +ATOM 461 C GLN A 61 66.569 86.333 38.284 1.00 74.09 C +ATOM 462 O GLN A 61 67.316 87.164 38.813 1.00 74.51 O +ATOM 463 CB GLN A 61 64.682 86.024 39.948 1.00 75.08 C +ATOM 464 CG GLN A 61 65.103 86.482 41.355 1.00 76.05 C +ATOM 465 CD GLN A 61 64.794 85.413 42.389 1.00 77.84 C +ATOM 466 OE1 GLN A 61 65.511 85.262 43.386 1.00 78.68 O +ATOM 467 NE2 GLN A 61 63.696 84.677 42.169 1.00 77.90 N +ATOM 468 N GLU A 62 66.232 86.342 36.983 1.00 74.44 N +ATOM 469 CA GLU A 62 66.825 87.216 35.985 1.00 74.19 C +ATOM 470 C GLU A 62 68.020 86.495 35.342 1.00 72.61 C +ATOM 471 O GLU A 62 67.847 85.802 34.329 1.00 72.66 O +ATOM 472 CB GLU A 62 67.133 88.622 36.599 1.00 75.58 C +ATOM 473 CG GLU A 62 67.243 89.841 35.645 1.00 76.79 C +ATOM 474 CD GLU A 62 66.774 91.123 36.324 1.00 77.64 C +ATOM 475 OE1 GLU A 62 65.759 91.158 37.001 1.00 77.28 O +ATOM 476 OE2 GLU A 62 67.570 92.168 36.162 1.00 77.23 O +ATOM 477 N GLU A 63 69.168 86.503 36.025 1.00 70.90 N +ATOM 478 CA GLU A 63 70.362 85.849 35.532 1.00 69.56 C +ATOM 479 C GLU A 63 70.199 84.444 34.931 1.00 67.99 C +ATOM 480 O GLU A 63 69.863 83.546 35.669 1.00 65.95 O +ATOM 481 CB GLU A 63 71.511 86.754 35.016 1.00 71.93 C +ATOM 482 CG GLU A 63 71.229 87.752 33.854 1.00 73.49 C +ATOM 483 CD GLU A 63 70.200 88.827 34.132 1.00 75.71 C +ATOM 484 OE1 GLU A 63 70.410 89.823 34.823 1.00 76.42 O +ATOM 485 OE2 GLU A 63 69.092 88.636 33.442 1.00 75.96 O +ATOM 486 N TYR A 64 70.451 84.272 33.607 1.00 69.69 N +ATOM 487 CA TYR A 64 70.300 83.028 32.804 1.00 69.13 C +ATOM 488 C TYR A 64 71.317 81.906 33.053 1.00 65.57 C +ATOM 489 O TYR A 64 72.450 82.174 33.485 1.00 67.38 O +ATOM 490 CB TYR A 64 70.160 83.339 31.295 1.00 72.70 C +ATOM 491 CG TYR A 64 68.713 83.360 30.825 1.00 76.83 C +ATOM 492 CD1 TYR A 64 67.716 84.016 31.552 1.00 77.52 C +ATOM 493 CD2 TYR A 64 68.346 82.735 29.629 1.00 78.40 C +ATOM 494 CE1 TYR A 64 66.382 83.987 31.135 1.00 78.33 C +ATOM 495 CE2 TYR A 64 67.023 82.721 29.178 1.00 78.48 C +ATOM 496 CZ TYR A 64 66.035 83.356 29.934 1.00 79.11 C +ATOM 497 OH TYR A 64 64.722 83.360 29.488 1.00 79.98 O +ATOM 498 N SER A 65 70.927 80.648 32.721 1.00 59.27 N +ATOM 499 CA SER A 65 71.786 79.480 32.954 1.00 52.85 C +ATOM 500 C SER A 65 71.676 78.394 31.912 1.00 48.31 C +ATOM 501 O SER A 65 70.604 78.067 31.465 1.00 48.23 O +ATOM 502 CB SER A 65 71.593 78.860 34.315 1.00 53.13 C +ATOM 503 OG SER A 65 72.474 77.771 34.430 1.00 52.62 O +ATOM 504 N ALA A 66 72.810 77.777 31.601 1.00 46.44 N +ATOM 505 CA ALA A 66 72.927 76.740 30.572 1.00 44.13 C +ATOM 506 C ALA A 66 72.069 75.547 30.884 1.00 41.82 C +ATOM 507 O ALA A 66 71.266 75.112 30.068 1.00 38.28 O +ATOM 508 CB ALA A 66 74.373 76.304 30.401 1.00 42.48 C +ATOM 509 N MET A 67 72.252 75.089 32.116 1.00 43.13 N +ATOM 510 CA MET A 67 71.502 74.021 32.738 1.00 43.43 C +ATOM 511 C MET A 67 70.012 74.297 32.788 1.00 41.23 C +ATOM 512 O MET A 67 69.220 73.430 32.516 1.00 42.69 O +ATOM 513 CB MET A 67 72.000 73.854 34.164 1.00 46.63 C +ATOM 514 CG MET A 67 73.254 73.030 34.248 1.00 52.56 C +ATOM 515 SD MET A 67 72.840 71.306 34.014 1.00 58.00 S +ATOM 516 CE MET A 67 72.508 71.270 32.236 1.00 57.60 C +ATOM 517 N ARG A 68 69.613 75.488 33.229 1.00 41.24 N +ATOM 518 CA ARG A 68 68.216 75.788 33.285 1.00 38.79 C +ATOM 519 C ARG A 68 67.637 75.776 31.903 1.00 39.49 C +ATOM 520 O ARG A 68 66.603 75.175 31.653 1.00 41.43 O +ATOM 521 CB ARG A 68 67.912 77.108 33.936 1.00 38.95 C +ATOM 522 CG ARG A 68 66.492 77.082 34.463 1.00 38.97 C +ATOM 523 CD ARG A 68 66.049 78.385 35.055 1.00 38.02 C +ATOM 524 NE ARG A 68 67.096 78.979 35.831 1.00 41.97 N +ATOM 525 CZ ARG A 68 67.874 79.941 35.314 1.00 45.50 C +ATOM 526 NH1 ARG A 68 67.698 80.321 34.043 1.00 41.73 N +ATOM 527 NH2 ARG A 68 68.832 80.528 36.023 1.00 47.03 N +ATOM 528 N ASP A 69 68.316 76.445 30.993 1.00 38.57 N +ATOM 529 CA ASP A 69 67.888 76.455 29.625 1.00 39.98 C +ATOM 530 C ASP A 69 67.699 75.100 29.124 1.00 37.85 C +ATOM 531 O ASP A 69 66.647 74.797 28.676 1.00 42.76 O +ATOM 532 CB ASP A 69 68.934 77.080 28.745 1.00 45.25 C +ATOM 533 CG ASP A 69 69.100 78.480 29.169 1.00 50.90 C +ATOM 534 OD1 ASP A 69 67.950 79.120 29.252 1.00 53.04 O +ATOM 535 OD2 ASP A 69 70.178 78.940 29.457 1.00 53.50 O +ATOM 536 N GLN A 70 68.715 74.285 29.211 1.00 35.32 N +ATOM 537 CA GLN A 70 68.625 72.920 28.720 1.00 37.26 C +ATOM 538 C GLN A 70 67.443 72.117 29.318 1.00 32.91 C +ATOM 539 O GLN A 70 66.656 71.501 28.602 1.00 26.74 O +ATOM 540 CB GLN A 70 69.955 72.179 28.954 1.00 42.16 C +ATOM 541 CG GLN A 70 70.251 71.153 27.858 1.00 47.10 C +ATOM 542 CD GLN A 70 70.193 71.810 26.479 1.00 54.06 C +ATOM 543 OE1 GLN A 70 69.307 71.491 25.657 1.00 55.44 O +ATOM 544 NE2 GLN A 70 71.145 72.721 26.201 1.00 56.70 N +ATOM 545 N TYR A 71 67.342 72.114 30.657 1.00 29.35 N +ATOM 546 CA TYR A 71 66.307 71.409 31.316 1.00 27.58 C +ATOM 547 C TYR A 71 64.972 71.957 30.949 1.00 28.62 C +ATOM 548 O TYR A 71 64.024 71.219 30.814 1.00 29.60 O +ATOM 549 CB TYR A 71 66.473 71.471 32.807 1.00 28.89 C +ATOM 550 CG TYR A 71 67.278 70.336 33.397 1.00 28.01 C +ATOM 551 CD1 TYR A 71 68.669 70.393 33.561 1.00 29.29 C +ATOM 552 CD2 TYR A 71 66.592 69.233 33.913 1.00 25.88 C +ATOM 553 CE1 TYR A 71 69.352 69.358 34.213 1.00 28.02 C +ATOM 554 CE2 TYR A 71 67.254 68.210 34.590 1.00 24.19 C +ATOM 555 CZ TYR A 71 68.637 68.280 34.750 1.00 24.50 C +ATOM 556 OH TYR A 71 69.267 67.245 35.398 1.00 23.31 O +ATOM 557 N MET A 72 64.951 73.226 30.674 1.00 27.55 N +ATOM 558 CA MET A 72 63.764 73.933 30.286 1.00 25.22 C +ATOM 559 C MET A 72 63.281 73.517 28.889 1.00 28.55 C +ATOM 560 O MET A 72 62.141 73.142 28.674 1.00 31.82 O +ATOM 561 CB MET A 72 64.052 75.416 30.413 1.00 25.95 C +ATOM 562 CG MET A 72 62.865 76.240 30.824 1.00 30.32 C +ATOM 563 SD MET A 72 62.482 76.066 32.573 1.00 34.51 S +ATOM 564 CE MET A 72 60.859 76.844 32.514 1.00 35.26 C +ATOM 565 N ARG A 73 64.168 73.437 27.931 1.00 28.92 N +ATOM 566 CA ARG A 73 63.722 73.011 26.661 1.00 29.89 C +ATOM 567 C ARG A 73 63.582 71.508 26.559 1.00 25.55 C +ATOM 568 O ARG A 73 62.804 71.046 25.777 1.00 24.78 O +ATOM 569 CB ARG A 73 64.535 73.592 25.517 1.00 39.53 C +ATOM 570 CG ARG A 73 65.912 72.963 25.351 1.00 45.58 C +ATOM 571 CD ARG A 73 66.378 73.019 23.876 1.00 49.00 C +ATOM 572 NE ARG A 73 67.746 72.505 23.621 1.00 50.96 N +ATOM 573 CZ ARG A 73 68.078 71.230 23.374 1.00 53.13 C +ATOM 574 NH1 ARG A 73 67.154 70.296 23.466 1.00 55.54 N +ATOM 575 NH2 ARG A 73 69.329 70.851 23.126 1.00 54.12 N +ATOM 576 N THR A 74 64.419 70.774 27.265 1.00 27.23 N +ATOM 577 CA THR A 74 64.422 69.307 27.340 1.00 25.96 C +ATOM 578 C THR A 74 63.563 68.655 28.462 1.00 25.59 C +ATOM 579 O THR A 74 63.324 67.463 28.432 1.00 26.70 O +ATOM 580 CB THR A 74 65.853 68.819 27.513 1.00 30.47 C +ATOM 581 OG1 THR A 74 66.314 69.242 28.802 1.00 29.28 O +ATOM 582 CG2 THR A 74 66.703 69.436 26.395 1.00 32.84 C +ATOM 583 N GLY A 75 63.127 69.387 29.482 1.00 26.21 N +ATOM 584 CA GLY A 75 62.329 68.812 30.574 1.00 19.82 C +ATOM 585 C GLY A 75 61.069 68.216 30.052 1.00 20.06 C +ATOM 586 O GLY A 75 60.507 68.698 29.087 1.00 18.99 O +ATOM 587 N GLU A 76 60.610 67.148 30.694 1.00 18.35 N +ATOM 588 CA GLU A 76 59.394 66.468 30.279 1.00 14.59 C +ATOM 589 C GLU A 76 58.154 66.960 30.899 1.00 17.46 C +ATOM 590 O GLU A 76 57.078 67.011 30.342 1.00 21.92 O +ATOM 591 CB GLU A 76 59.576 64.983 30.424 1.00 18.20 C +ATOM 592 CG GLU A 76 60.599 64.555 29.375 1.00 22.74 C +ATOM 593 CD GLU A 76 61.035 63.169 29.556 1.00 26.75 C +ATOM 594 OE1 GLU A 76 61.756 62.843 30.470 1.00 29.17 O +ATOM 595 OE2 GLU A 76 60.490 62.367 28.681 1.00 28.20 O +ATOM 596 N GLY A 77 58.317 67.438 32.065 1.00 19.24 N +ATOM 597 CA GLY A 77 57.218 67.995 32.791 1.00 10.60 C +ATOM 598 C GLY A 77 57.805 68.955 33.783 1.00 15.05 C +ATOM 599 O GLY A 77 58.991 68.850 34.159 1.00 11.84 O +ATOM 600 N PHE A 78 56.937 69.805 34.261 1.00 16.85 N +ATOM 601 CA PHE A 78 57.262 70.824 35.190 1.00 12.47 C +ATOM 602 C PHE A 78 56.319 70.793 36.396 1.00 10.81 C +ATOM 603 O PHE A 78 55.073 70.762 36.254 1.00 7.04 O +ATOM 604 CB PHE A 78 57.004 72.122 34.444 1.00 13.59 C +ATOM 605 CG PHE A 78 57.941 72.246 33.260 1.00 15.43 C +ATOM 606 CD1 PHE A 78 57.760 71.455 32.129 1.00 19.32 C +ATOM 607 CD2 PHE A 78 59.105 73.006 33.359 1.00 14.75 C +ATOM 608 CE1 PHE A 78 58.675 71.476 31.070 1.00 18.85 C +ATOM 609 CE2 PHE A 78 60.006 73.070 32.289 1.00 18.71 C +ATOM 610 CZ PHE A 78 59.798 72.301 31.143 1.00 18.76 C +ATOM 611 N LEU A 79 56.892 70.871 37.603 1.00 11.70 N +ATOM 612 CA LEU A 79 56.121 71.041 38.812 1.00 8.69 C +ATOM 613 C LEU A 79 56.005 72.513 39.097 1.00 14.56 C +ATOM 614 O LEU A 79 57.013 73.174 39.314 1.00 13.85 O +ATOM 615 CB LEU A 79 56.824 70.345 39.979 1.00 13.37 C +ATOM 616 CG LEU A 79 55.874 69.741 40.983 1.00 13.12 C +ATOM 617 CD1 LEU A 79 55.043 68.620 40.363 1.00 11.26 C +ATOM 618 CD2 LEU A 79 56.645 69.274 42.227 1.00 9.14 C +ATOM 619 N CYS A 80 54.789 73.060 39.119 1.00 14.00 N +ATOM 620 CA CYS A 80 54.658 74.483 39.296 1.00 9.14 C +ATOM 621 C CYS A 80 54.318 74.863 40.692 1.00 13.41 C +ATOM 622 O CYS A 80 53.156 74.883 41.039 1.00 14.71 O +ATOM 623 CB CYS A 80 53.575 74.980 38.331 1.00 13.73 C +ATOM 624 SG CYS A 80 54.307 75.253 36.675 1.00 18.96 S +ATOM 625 N VAL A 81 55.310 75.282 41.467 1.00 12.04 N +ATOM 626 CA VAL A 81 55.097 75.517 42.866 1.00 10.04 C +ATOM 627 C VAL A 81 54.658 76.896 43.334 1.00 16.47 C +ATOM 628 O VAL A 81 55.244 77.917 43.055 1.00 19.18 O +ATOM 629 CB VAL A 81 56.311 74.976 43.620 1.00 9.65 C +ATOM 630 CG1 VAL A 81 56.024 74.913 45.110 1.00 11.60 C +ATOM 631 CG2 VAL A 81 56.639 73.548 43.142 1.00 5.44 C +ATOM 632 N PHE A 82 53.686 76.919 44.210 1.00 18.12 N +ATOM 633 CA PHE A 82 53.332 78.136 44.862 1.00 17.66 C +ATOM 634 C PHE A 82 53.146 77.871 46.321 1.00 18.78 C +ATOM 635 O PHE A 82 53.055 76.734 46.742 1.00 16.64 O +ATOM 636 CB PHE A 82 52.138 78.940 44.281 1.00 20.45 C +ATOM 637 CG PHE A 82 50.769 78.349 44.555 1.00 22.23 C +ATOM 638 CD1 PHE A 82 50.222 77.401 43.693 1.00 23.14 C +ATOM 639 CD2 PHE A 82 50.052 78.704 45.699 1.00 24.50 C +ATOM 640 CE1 PHE A 82 48.985 76.817 43.962 1.00 25.43 C +ATOM 641 CE2 PHE A 82 48.801 78.158 45.976 1.00 20.75 C +ATOM 642 CZ PHE A 82 48.266 77.225 45.089 1.00 23.77 C +ATOM 643 N ALA A 83 53.250 78.926 47.119 1.00 21.01 N +ATOM 644 CA ALA A 83 53.006 78.801 48.516 1.00 23.24 C +ATOM 645 C ALA A 83 51.560 79.236 48.861 1.00 29.43 C +ATOM 646 O ALA A 83 51.083 80.312 48.448 1.00 30.45 O +ATOM 647 CB ALA A 83 54.036 79.590 49.250 1.00 25.03 C +ATOM 648 N ILE A 84 50.899 78.373 49.650 1.00 30.23 N +ATOM 649 CA ILE A 84 49.520 78.483 50.066 1.00 33.53 C +ATOM 650 C ILE A 84 49.234 79.769 50.802 1.00 36.80 C +ATOM 651 O ILE A 84 48.147 80.338 50.715 1.00 38.27 O +ATOM 652 CB ILE A 84 49.269 77.319 50.989 1.00 34.92 C +ATOM 653 CG1 ILE A 84 47.963 76.714 50.647 1.00 33.49 C +ATOM 654 CG2 ILE A 84 49.398 77.677 52.475 1.00 36.10 C +ATOM 655 CD1 ILE A 84 48.002 76.333 49.171 1.00 32.16 C +ATOM 656 N ASN A 85 50.235 80.197 51.567 1.00 37.75 N +ATOM 657 CA ASN A 85 50.153 81.400 52.382 1.00 36.88 C +ATOM 658 C ASN A 85 50.862 82.573 51.773 1.00 34.79 C +ATOM 659 O ASN A 85 51.387 83.387 52.497 1.00 36.51 O +ATOM 660 CB ASN A 85 50.761 81.151 53.772 1.00 38.06 C +ATOM 661 CG ASN A 85 52.259 80.934 53.697 1.00 38.52 C +ATOM 662 OD1 ASN A 85 52.838 80.924 52.612 1.00 38.55 O +ATOM 663 ND2 ASN A 85 52.873 80.707 54.844 1.00 40.94 N +ATOM 664 N ASN A 86 51.026 82.578 50.467 1.00 31.83 N +ATOM 665 CA ASN A 86 51.745 83.636 49.799 1.00 34.52 C +ATOM 666 C ASN A 86 51.152 83.910 48.439 1.00 33.78 C +ATOM 667 O ASN A 86 51.486 83.311 47.440 1.00 34.43 O +ATOM 668 CB ASN A 86 53.284 83.432 49.766 1.00 38.36 C +ATOM 669 CG ASN A 86 53.986 84.311 48.754 1.00 39.78 C +ATOM 670 OD1 ASN A 86 53.317 85.101 48.087 1.00 40.85 O +ATOM 671 ND2 ASN A 86 55.306 84.101 48.547 1.00 40.97 N +ATOM 672 N THR A 87 50.377 84.943 48.428 1.00 33.08 N +ATOM 673 CA THR A 87 49.632 85.317 47.313 1.00 31.99 C +ATOM 674 C THR A 87 50.400 85.749 46.126 1.00 32.92 C +ATOM 675 O THR A 87 50.052 85.399 45.045 1.00 31.98 O +ATOM 676 CB THR A 87 48.595 86.294 47.760 1.00 34.58 C +ATOM 677 OG1 THR A 87 47.850 85.585 48.746 1.00 36.69 O +ATOM 678 CG2 THR A 87 47.716 86.665 46.571 1.00 36.32 C +ATOM 679 N LYS A 88 51.418 86.549 46.268 1.00 38.85 N +ATOM 680 CA LYS A 88 52.131 86.847 45.046 1.00 38.07 C +ATOM 681 C LYS A 88 52.615 85.563 44.357 1.00 35.49 C +ATOM 682 O LYS A 88 52.638 85.484 43.118 1.00 32.24 O +ATOM 683 CB LYS A 88 53.331 87.730 45.275 1.00 44.55 C +ATOM 684 CG LYS A 88 53.936 88.109 43.933 1.00 50.54 C +ATOM 685 CD LYS A 88 52.835 88.391 42.909 1.00 55.31 C +ATOM 686 CE LYS A 88 53.328 88.828 41.522 1.00 57.87 C +ATOM 687 NZ LYS A 88 52.222 89.162 40.596 1.00 58.50 N +ATOM 688 N SER A 89 53.030 84.556 45.194 1.00 34.86 N +ATOM 689 CA SER A 89 53.602 83.346 44.663 1.00 30.88 C +ATOM 690 C SER A 89 52.645 82.735 43.740 1.00 34.95 C +ATOM 691 O SER A 89 53.043 82.452 42.621 1.00 37.99 O +ATOM 692 CB SER A 89 54.036 82.330 45.678 1.00 25.61 C +ATOM 693 OG SER A 89 52.931 81.570 46.049 1.00 24.38 O +ATOM 694 N PHE A 90 51.369 82.624 44.217 1.00 35.70 N +ATOM 695 CA PHE A 90 50.221 82.071 43.479 1.00 34.98 C +ATOM 696 C PHE A 90 49.936 82.802 42.170 1.00 37.20 C +ATOM 697 O PHE A 90 49.732 82.206 41.138 1.00 38.65 O +ATOM 698 CB PHE A 90 48.967 82.020 44.367 1.00 34.99 C +ATOM 699 CG PHE A 90 47.729 81.532 43.650 1.00 39.43 C +ATOM 700 CD1 PHE A 90 47.421 80.171 43.580 1.00 42.04 C +ATOM 701 CD2 PHE A 90 46.800 82.426 43.122 1.00 41.46 C +ATOM 702 CE1 PHE A 90 46.245 79.708 42.982 1.00 41.69 C +ATOM 703 CE2 PHE A 90 45.634 81.984 42.494 1.00 41.61 C +ATOM 704 CZ PHE A 90 45.355 80.620 42.418 1.00 41.20 C +ATOM 705 N GLU A 91 49.917 84.122 42.229 1.00 38.57 N +ATOM 706 CA GLU A 91 49.706 84.988 41.099 1.00 38.92 C +ATOM 707 C GLU A 91 50.805 84.858 40.076 1.00 37.92 C +ATOM 708 O GLU A 91 50.582 85.080 38.889 1.00 37.27 O +ATOM 709 CB GLU A 91 49.599 86.435 41.591 1.00 43.31 C +ATOM 710 CG GLU A 91 48.358 86.563 42.492 1.00 48.82 C +ATOM 711 CD GLU A 91 48.198 87.868 43.222 1.00 53.70 C +ATOM 712 OE1 GLU A 91 49.070 88.777 42.824 1.00 56.74 O +ATOM 713 OE2 GLU A 91 47.343 88.039 44.106 1.00 53.43 O +ATOM 714 N ASP A 92 52.002 84.502 40.557 1.00 36.40 N +ATOM 715 CA ASP A 92 53.131 84.317 39.681 1.00 34.85 C +ATOM 716 C ASP A 92 53.001 83.055 38.883 1.00 31.26 C +ATOM 717 O ASP A 92 53.723 82.883 37.936 1.00 33.91 O +ATOM 718 CB ASP A 92 54.493 84.280 40.426 1.00 37.70 C +ATOM 719 CG ASP A 92 55.038 85.606 40.920 1.00 39.23 C +ATOM 720 OD1 ASP A 92 54.590 86.643 40.244 1.00 38.41 O +ATOM 721 OD2 ASP A 92 55.864 85.683 41.820 1.00 39.96 O +ATOM 722 N ILE A 93 52.135 82.118 39.283 1.00 27.74 N +ATOM 723 CA ILE A 93 52.023 80.855 38.537 1.00 25.76 C +ATOM 724 C ILE A 93 51.726 81.041 37.073 1.00 27.33 C +ATOM 725 O ILE A 93 52.182 80.295 36.268 1.00 28.76 O +ATOM 726 CB ILE A 93 51.071 79.797 39.126 1.00 25.34 C +ATOM 727 CG1 ILE A 93 51.632 79.205 40.426 1.00 23.21 C +ATOM 728 CG2 ILE A 93 50.767 78.714 38.093 1.00 21.84 C +ATOM 729 CD1 ILE A 93 53.110 78.846 40.323 1.00 21.19 C +ATOM 730 N HIS A 94 50.960 82.017 36.720 1.00 30.60 N +ATOM 731 CA HIS A 94 50.620 82.236 35.349 1.00 32.90 C +ATOM 732 C HIS A 94 51.830 82.572 34.471 1.00 34.52 C +ATOM 733 O HIS A 94 51.887 82.130 33.312 1.00 37.45 O +ATOM 734 CB HIS A 94 49.573 83.332 35.274 1.00 34.04 C +ATOM 735 CG HIS A 94 49.102 83.531 33.883 1.00 37.85 C +ATOM 736 ND1 HIS A 94 49.628 84.531 33.093 1.00 41.04 N +ATOM 737 CD2 HIS A 94 48.189 82.810 33.154 1.00 38.31 C +ATOM 738 CE1 HIS A 94 49.023 84.408 31.910 1.00 41.45 C +ATOM 739 NE2 HIS A 94 48.141 83.388 31.915 1.00 38.95 N +ATOM 740 N GLN A 95 52.780 83.371 35.020 1.00 33.14 N +ATOM 741 CA GLN A 95 54.019 83.730 34.322 1.00 34.81 C +ATOM 742 C GLN A 95 54.882 82.520 34.057 1.00 34.48 C +ATOM 743 O GLN A 95 55.405 82.393 32.948 1.00 37.83 O +ATOM 744 CB GLN A 95 54.909 84.756 35.052 1.00 36.55 C +ATOM 745 CG GLN A 95 54.438 86.198 34.902 1.00 42.32 C +ATOM 746 CD GLN A 95 52.942 86.230 35.135 1.00 47.80 C +ATOM 747 OE1 GLN A 95 52.168 85.693 34.294 1.00 50.19 O +ATOM 748 NE2 GLN A 95 52.532 86.726 36.329 1.00 47.66 N +ATOM 749 N TYR A 96 55.101 81.677 35.098 1.00 28.45 N +ATOM 750 CA TYR A 96 55.920 80.466 34.950 1.00 24.04 C +ATOM 751 C TYR A 96 55.307 79.558 33.930 1.00 24.06 C +ATOM 752 O TYR A 96 55.989 79.023 33.078 1.00 21.76 O +ATOM 753 CB TYR A 96 56.092 79.754 36.276 1.00 20.94 C +ATOM 754 CG TYR A 96 56.913 80.589 37.198 1.00 19.16 C +ATOM 755 CD1 TYR A 96 58.279 80.681 36.999 1.00 20.51 C +ATOM 756 CD2 TYR A 96 56.368 81.192 38.329 1.00 21.27 C +ATOM 757 CE1 TYR A 96 59.069 81.432 37.857 1.00 19.82 C +ATOM 758 CE2 TYR A 96 57.158 81.878 39.242 1.00 20.36 C +ATOM 759 CZ TYR A 96 58.521 81.993 39.000 1.00 23.81 C +ATOM 760 OH TYR A 96 59.320 82.768 39.827 1.00 26.19 O +ATOM 761 N ARG A 97 53.967 79.488 33.936 1.00 25.58 N +ATOM 762 CA ARG A 97 53.308 78.691 32.939 1.00 29.35 C +ATOM 763 C ARG A 97 53.599 79.305 31.596 1.00 29.54 C +ATOM 764 O ARG A 97 54.170 78.681 30.738 1.00 28.00 O +ATOM 765 CB ARG A 97 51.836 78.523 33.188 1.00 32.83 C +ATOM 766 CG ARG A 97 51.213 77.544 32.216 1.00 36.68 C +ATOM 767 CD ARG A 97 49.696 77.508 32.295 1.00 39.52 C +ATOM 768 NE ARG A 97 49.092 76.868 31.121 1.00 47.18 N +ATOM 769 CZ ARG A 97 49.101 75.535 30.875 1.00 53.34 C +ATOM 770 NH1 ARG A 97 49.759 74.735 31.722 1.00 56.44 N +ATOM 771 NH2 ARG A 97 48.523 74.975 29.791 1.00 53.03 N +ATOM 772 N GLU A 98 53.404 80.602 31.489 1.00 31.50 N +ATOM 773 CA GLU A 98 53.687 81.317 30.230 1.00 30.23 C +ATOM 774 C GLU A 98 55.128 81.213 29.745 1.00 28.01 C +ATOM 775 O GLU A 98 55.380 81.208 28.558 1.00 26.60 O +ATOM 776 CB GLU A 98 53.176 82.785 30.222 1.00 32.39 C +ATOM 777 CG GLU A 98 51.668 82.969 29.958 1.00 34.18 C +ATOM 778 CD GLU A 98 51.192 82.519 28.577 1.00 39.83 C +ATOM 779 OE1 GLU A 98 51.858 82.650 27.557 1.00 41.54 O +ATOM 780 OE2 GLU A 98 49.995 81.927 28.582 1.00 41.85 O +ATOM 781 N GLN A 99 56.111 81.144 30.641 1.00 28.68 N +ATOM 782 CA GLN A 99 57.507 80.984 30.234 1.00 29.48 C +ATOM 783 C GLN A 99 57.743 79.577 29.694 1.00 32.69 C +ATOM 784 O GLN A 99 58.248 79.394 28.600 1.00 34.19 O +ATOM 785 CB GLN A 99 58.481 81.365 31.373 1.00 31.05 C +ATOM 786 CG GLN A 99 59.731 80.479 31.470 1.00 33.46 C +ATOM 787 CD GLN A 99 60.417 80.477 32.864 1.00 38.07 C +ATOM 788 OE1 GLN A 99 61.497 81.049 33.033 1.00 42.44 O +ATOM 789 NE2 GLN A 99 59.890 79.723 33.854 1.00 40.23 N +ATOM 790 N ILE A 100 57.236 78.580 30.407 1.00 32.17 N +ATOM 791 CA ILE A 100 57.365 77.185 30.023 1.00 33.11 C +ATOM 792 C ILE A 100 56.846 76.974 28.600 1.00 37.20 C +ATOM 793 O ILE A 100 57.480 76.315 27.774 1.00 40.42 O +ATOM 794 CB ILE A 100 56.649 76.258 31.058 1.00 32.14 C +ATOM 795 CG1 ILE A 100 57.138 76.485 32.489 1.00 28.73 C +ATOM 796 CG2 ILE A 100 56.597 74.753 30.697 1.00 31.31 C +ATOM 797 CD1 ILE A 100 56.268 75.803 33.547 1.00 26.38 C +ATOM 798 N LYS A 101 55.689 77.551 28.294 1.00 38.23 N +ATOM 799 CA LYS A 101 55.065 77.398 26.998 1.00 39.54 C +ATOM 800 C LYS A 101 55.842 78.036 25.885 1.00 41.92 C +ATOM 801 O LYS A 101 55.783 77.597 24.738 1.00 43.09 O +ATOM 802 CB LYS A 101 53.650 77.955 26.972 1.00 41.25 C +ATOM 803 CG LYS A 101 52.748 77.288 27.993 1.00 42.54 C +ATOM 804 CD LYS A 101 51.273 77.462 27.712 1.00 41.61 C +ATOM 805 CE LYS A 101 50.837 78.901 27.582 1.00 40.92 C +ATOM 806 NZ LYS A 101 49.377 79.012 27.683 1.00 43.09 N +ATOM 807 N ARG A 102 56.468 79.162 26.205 1.00 44.46 N +ATOM 808 CA ARG A 102 57.217 79.913 25.234 1.00 41.65 C +ATOM 809 C ARG A 102 58.424 79.127 24.792 1.00 41.23 C +ATOM 810 O ARG A 102 58.651 78.923 23.595 1.00 41.80 O +ATOM 811 CB ARG A 102 57.536 81.293 25.740 1.00 44.21 C +ATOM 812 CG ARG A 102 58.755 81.907 25.058 1.00 52.40 C +ATOM 813 CD ARG A 102 59.042 83.354 25.493 1.00 58.09 C +ATOM 814 NE ARG A 102 59.028 83.573 26.948 1.00 62.87 N +ATOM 815 CZ ARG A 102 57.961 83.979 27.663 1.00 66.49 C +ATOM 816 NH1 ARG A 102 56.791 84.219 27.055 1.00 67.82 N +ATOM 817 NH2 ARG A 102 58.035 84.147 28.986 1.00 67.41 N +ATOM 818 N VAL A 103 59.138 78.596 25.778 1.00 40.12 N +ATOM 819 CA VAL A 103 60.255 77.767 25.482 1.00 39.12 C +ATOM 820 C VAL A 103 59.792 76.511 24.733 1.00 41.80 C +ATOM 821 O VAL A 103 60.099 76.305 23.566 1.00 44.50 O +ATOM 822 CB VAL A 103 61.153 77.485 26.682 1.00 38.01 C +ATOM 823 CG1 VAL A 103 60.560 76.442 27.623 1.00 38.25 C +ATOM 824 CG2 VAL A 103 62.505 76.989 26.177 1.00 38.54 C +ATOM 825 N LYS A 104 58.957 75.704 25.359 1.00 42.45 N +ATOM 826 CA LYS A 104 58.424 74.533 24.676 1.00 43.18 C +ATOM 827 C LYS A 104 57.737 74.936 23.395 1.00 42.68 C +ATOM 828 O LYS A 104 57.643 74.155 22.438 1.00 40.15 O +ATOM 829 CB LYS A 104 57.455 73.757 25.547 1.00 40.65 C +ATOM 830 CG LYS A 104 58.183 73.191 26.750 1.00 38.37 C +ATOM 831 CD LYS A 104 59.331 72.297 26.325 1.00 36.14 C +ATOM 832 CE LYS A 104 59.810 71.335 27.395 1.00 33.26 C +ATOM 833 NZ LYS A 104 60.133 70.012 26.832 1.00 31.94 N +ATOM 834 N ASP A 105 57.287 76.185 23.369 1.00 45.06 N +ATOM 835 CA ASP A 105 56.584 76.618 22.186 1.00 46.71 C +ATOM 836 C ASP A 105 55.381 75.703 22.037 1.00 46.05 C +ATOM 837 O ASP A 105 55.185 75.098 20.989 1.00 47.71 O +ATOM 838 CB ASP A 105 57.545 76.506 20.974 1.00 48.19 C +ATOM 839 CG ASP A 105 56.947 76.711 19.615 1.00 49.66 C +ATOM 840 OD1 ASP A 105 55.858 77.224 19.418 1.00 49.32 O +ATOM 841 OD2 ASP A 105 57.731 76.247 18.664 1.00 51.33 O +ATOM 842 N SER A 106 54.633 75.519 23.133 1.00 45.40 N +ATOM 843 CA SER A 106 53.516 74.594 23.119 1.00 44.94 C +ATOM 844 C SER A 106 52.564 74.728 24.289 1.00 44.37 C +ATOM 845 O SER A 106 52.982 74.915 25.425 1.00 45.96 O +ATOM 846 CB SER A 106 54.060 73.182 23.116 1.00 46.96 C +ATOM 847 OG SER A 106 52.987 72.275 23.169 1.00 49.35 O +ATOM 848 N ASP A 107 51.287 74.492 24.012 1.00 42.70 N +ATOM 849 CA ASP A 107 50.268 74.562 25.013 1.00 43.30 C +ATOM 850 C ASP A 107 50.255 73.393 25.918 1.00 42.45 C +ATOM 851 O ASP A 107 50.266 73.575 27.142 1.00 43.41 O +ATOM 852 CB ASP A 107 48.886 74.813 24.465 1.00 47.98 C +ATOM 853 CG ASP A 107 48.696 76.270 24.264 1.00 53.29 C +ATOM 854 OD1 ASP A 107 49.444 76.948 23.574 1.00 55.06 O +ATOM 855 OD2 ASP A 107 47.736 76.755 25.021 1.00 55.25 O +ATOM 856 N ASP A 108 50.225 72.195 25.325 1.00 41.10 N +ATOM 857 CA ASP A 108 50.259 70.976 26.108 1.00 40.34 C +ATOM 858 C ASP A 108 51.682 70.532 26.509 1.00 33.92 C +ATOM 859 O ASP A 108 52.413 69.841 25.804 1.00 34.55 O +ATOM 860 CB ASP A 108 49.445 69.817 25.491 1.00 44.19 C +ATOM 861 CG ASP A 108 50.212 69.109 24.410 1.00 50.27 C +ATOM 862 OD1 ASP A 108 51.004 69.936 23.751 1.00 52.04 O +ATOM 863 OD2 ASP A 108 50.182 67.892 24.234 1.00 52.34 O +ATOM 864 N VAL A 109 52.107 70.962 27.655 1.00 27.90 N +ATOM 865 CA VAL A 109 53.332 70.504 28.175 1.00 24.62 C +ATOM 866 C VAL A 109 52.946 70.054 29.543 1.00 26.41 C +ATOM 867 O VAL A 109 52.023 70.643 30.112 1.00 26.21 O +ATOM 868 CB VAL A 109 54.417 71.524 28.129 1.00 25.34 C +ATOM 869 CG1 VAL A 109 53.848 72.885 28.375 1.00 28.57 C +ATOM 870 CG2 VAL A 109 55.435 71.179 29.185 1.00 26.04 C +ATOM 871 N PRO A 110 53.355 68.848 29.943 1.00 23.58 N +ATOM 872 CA PRO A 110 52.844 68.353 31.207 1.00 18.48 C +ATOM 873 C PRO A 110 53.323 69.138 32.403 1.00 15.14 C +ATOM 874 O PRO A 110 54.529 69.358 32.589 1.00 14.60 O +ATOM 875 CB PRO A 110 53.265 66.888 31.316 1.00 19.71 C +ATOM 876 CG PRO A 110 53.696 66.497 29.911 1.00 20.66 C +ATOM 877 CD PRO A 110 54.040 67.778 29.182 1.00 20.76 C +ATOM 878 N MET A 111 52.430 69.288 33.361 1.00 15.53 N +ATOM 879 CA MET A 111 52.715 70.021 34.565 1.00 11.69 C +ATOM 880 C MET A 111 51.690 69.650 35.547 1.00 13.01 C +ATOM 881 O MET A 111 50.528 69.428 35.192 1.00 5.60 O +ATOM 882 CB MET A 111 52.378 71.485 34.386 1.00 16.24 C +ATOM 883 CG MET A 111 52.996 72.216 33.226 1.00 22.47 C +ATOM 884 SD MET A 111 52.364 73.907 33.116 1.00 28.53 S +ATOM 885 CE MET A 111 53.469 74.449 31.823 1.00 26.23 C +ATOM 886 N VAL A 112 52.027 69.920 36.769 1.00 8.59 N +ATOM 887 CA VAL A 112 51.099 69.725 37.832 1.00 10.19 C +ATOM 888 C VAL A 112 51.179 70.975 38.667 1.00 20.32 C +ATOM 889 O VAL A 112 52.218 71.622 38.614 1.00 24.43 O +ATOM 890 CB VAL A 112 51.602 68.554 38.642 1.00 10.97 C +ATOM 891 CG1 VAL A 112 50.861 68.482 39.984 1.00 8.84 C +ATOM 892 CG2 VAL A 112 51.431 67.267 37.788 1.00 8.79 C +ATOM 893 N LEU A 113 50.093 71.380 39.347 1.00 19.53 N +ATOM 894 CA LEU A 113 50.113 72.611 40.099 1.00 18.46 C +ATOM 895 C LEU A 113 50.239 72.249 41.549 1.00 18.86 C +ATOM 896 O LEU A 113 49.339 71.593 42.072 1.00 14.98 O +ATOM 897 CB LEU A 113 48.796 73.404 39.840 1.00 24.57 C +ATOM 898 CG LEU A 113 48.681 74.719 40.609 1.00 24.73 C +ATOM 899 CD1 LEU A 113 49.730 75.680 40.111 1.00 26.07 C +ATOM 900 CD2 LEU A 113 47.314 75.349 40.426 1.00 24.57 C +ATOM 901 N VAL A 114 51.349 72.605 42.184 1.00 17.25 N +ATOM 902 CA VAL A 114 51.591 72.276 43.591 1.00 11.47 C +ATOM 903 C VAL A 114 51.304 73.447 44.521 1.00 15.46 C +ATOM 904 O VAL A 114 51.859 74.516 44.328 1.00 20.53 O +ATOM 905 CB VAL A 114 53.013 71.861 43.698 1.00 11.52 C +ATOM 906 CG1 VAL A 114 53.426 71.650 45.150 1.00 15.23 C +ATOM 907 CG2 VAL A 114 53.168 70.573 42.915 1.00 10.37 C +ATOM 908 N GLY A 115 50.384 73.329 45.462 1.00 13.75 N +ATOM 909 CA GLY A 115 50.137 74.437 46.391 1.00 14.26 C +ATOM 910 C GLY A 115 50.719 73.999 47.685 1.00 17.07 C +ATOM 911 O GLY A 115 50.220 73.073 48.284 1.00 23.62 O +ATOM 912 N ASN A 116 51.899 74.476 47.956 1.00 16.88 N +ATOM 913 CA ASN A 116 52.756 74.018 49.053 1.00 15.73 C +ATOM 914 C ASN A 116 52.564 74.712 50.347 1.00 20.38 C +ATOM 915 O ASN A 116 52.199 75.863 50.379 1.00 25.28 O +ATOM 916 CB ASN A 116 54.247 74.176 48.636 1.00 14.66 C +ATOM 917 CG ASN A 116 55.225 73.475 49.527 1.00 17.67 C +ATOM 918 OD1 ASN A 116 55.005 72.347 49.901 1.00 20.41 O +ATOM 919 ND2 ASN A 116 56.331 74.125 49.850 1.00 15.72 N +ATOM 920 N LYS A 117 53.013 74.055 51.388 1.00 22.24 N +ATOM 921 CA LYS A 117 52.937 74.577 52.740 1.00 25.46 C +ATOM 922 C LYS A 117 51.531 74.461 53.243 1.00 31.69 C +ATOM 923 O LYS A 117 51.027 75.378 53.876 1.00 29.73 O +ATOM 924 CB LYS A 117 53.375 76.041 52.862 1.00 23.98 C +ATOM 925 CG LYS A 117 54.827 76.246 52.522 1.00 23.37 C +ATOM 926 CD LYS A 117 55.368 77.538 53.057 1.00 23.16 C +ATOM 927 CE LYS A 117 56.414 78.096 52.119 1.00 27.99 C +ATOM 928 NZ LYS A 117 57.450 78.909 52.766 1.00 29.78 N +ATOM 929 N CYS A 118 50.843 73.426 52.775 1.00 36.15 N +ATOM 930 CA CYS A 118 49.462 73.208 53.148 1.00 36.55 C +ATOM 931 C CYS A 118 49.430 72.880 54.641 1.00 40.86 C +ATOM 932 O CYS A 118 48.360 72.618 55.200 1.00 43.81 O +ATOM 933 CB CYS A 118 48.782 72.114 52.307 1.00 34.06 C +ATOM 934 SG CYS A 118 49.337 70.438 52.786 1.00 34.58 S +ATOM 935 N ASP A 119 50.616 72.906 55.290 1.00 41.26 N +ATOM 936 CA ASP A 119 50.727 72.629 56.734 1.00 43.51 C +ATOM 937 C ASP A 119 50.355 73.832 57.621 1.00 49.43 C +ATOM 938 O ASP A 119 49.705 73.689 58.675 1.00 52.09 O +ATOM 939 CB ASP A 119 52.078 72.011 57.148 1.00 41.96 C +ATOM 940 CG ASP A 119 53.227 72.951 57.010 1.00 39.87 C +ATOM 941 OD1 ASP A 119 53.593 73.372 55.948 1.00 40.51 O +ATOM 942 OD2 ASP A 119 53.764 73.293 58.151 1.00 38.43 O +ATOM 943 N LEU A 120 50.749 75.024 57.154 1.00 49.83 N +ATOM 944 CA LEU A 120 50.459 76.305 57.769 1.00 49.31 C +ATOM 945 C LEU A 120 48.985 76.643 57.816 1.00 54.27 C +ATOM 946 O LEU A 120 48.198 76.365 56.911 1.00 55.20 O +ATOM 947 CB LEU A 120 51.152 77.443 57.007 1.00 45.23 C +ATOM 948 CG LEU A 120 52.599 77.615 57.389 1.00 42.91 C +ATOM 949 CD1 LEU A 120 53.239 76.247 57.500 1.00 43.05 C +ATOM 950 CD2 LEU A 120 53.284 78.408 56.297 1.00 44.91 C +ATOM 951 N ALA A 121 48.635 77.351 58.876 1.00 57.34 N +ATOM 952 CA ALA A 121 47.298 77.876 59.043 1.00 56.41 C +ATOM 953 C ALA A 121 47.248 79.272 58.473 1.00 53.50 C +ATOM 954 O ALA A 121 46.220 79.697 57.998 1.00 55.80 O +ATOM 955 CB ALA A 121 46.899 77.890 60.506 1.00 57.98 C +ATOM 956 N ALA A 122 48.388 79.962 58.460 1.00 51.10 N +ATOM 957 CA ALA A 122 48.473 81.315 57.929 1.00 49.63 C +ATOM 958 C ALA A 122 48.055 81.404 56.470 1.00 47.64 C +ATOM 959 O ALA A 122 48.604 82.198 55.710 1.00 49.99 O +ATOM 960 CB ALA A 122 49.895 81.827 58.078 1.00 48.99 C +ATOM 961 N ARG A 123 47.092 80.586 56.094 1.00 44.30 N +ATOM 962 CA ARG A 123 46.645 80.421 54.736 1.00 42.81 C +ATOM 963 C ARG A 123 46.086 81.665 54.081 1.00 44.19 C +ATOM 964 O ARG A 123 45.111 82.234 54.541 1.00 46.31 O +ATOM 965 CB ARG A 123 45.691 79.238 54.596 1.00 40.55 C +ATOM 966 CG ARG A 123 45.404 78.887 53.141 1.00 41.20 C +ATOM 967 CD ARG A 123 44.442 77.729 53.012 1.00 42.99 C +ATOM 968 NE ARG A 123 44.515 77.008 51.741 1.00 44.45 N +ATOM 969 CZ ARG A 123 45.000 75.760 51.636 1.00 43.96 C +ATOM 970 NH1 ARG A 123 45.456 75.149 52.722 1.00 43.17 N +ATOM 971 NH2 ARG A 123 45.006 75.083 50.496 1.00 43.56 N +ATOM 972 N THR A 124 46.543 81.952 52.871 1.00 43.07 N +ATOM 973 CA THR A 124 46.046 83.122 52.164 1.00 40.07 C +ATOM 974 C THR A 124 45.600 82.880 50.728 1.00 36.01 C +ATOM 975 O THR A 124 45.269 83.833 50.032 1.00 35.18 O +ATOM 976 CB THR A 124 47.055 84.263 52.207 1.00 38.98 C +ATOM 977 OG1 THR A 124 47.967 84.043 51.165 1.00 42.88 O +ATOM 978 CG2 THR A 124 47.784 84.218 53.540 1.00 36.95 C +ATOM 979 N VAL A 125 45.579 81.608 50.308 1.00 36.35 N +ATOM 980 CA VAL A 125 45.040 81.165 49.002 1.00 35.31 C +ATOM 981 C VAL A 125 44.095 79.934 49.247 1.00 37.84 C +ATOM 982 O VAL A 125 44.406 78.966 49.974 1.00 36.79 O +ATOM 983 CB VAL A 125 46.133 80.883 47.935 1.00 31.48 C +ATOM 984 CG1 VAL A 125 45.569 80.777 46.516 1.00 31.11 C +ATOM 985 CG2 VAL A 125 47.289 81.880 47.959 1.00 30.85 C +ATOM 986 N GLU A 126 42.872 80.015 48.731 1.00 40.76 N +ATOM 987 CA GLU A 126 41.917 78.933 48.872 1.00 41.12 C +ATOM 988 C GLU A 126 42.090 77.754 47.922 1.00 40.07 C +ATOM 989 O GLU A 126 42.272 77.907 46.713 1.00 40.61 O +ATOM 990 CB GLU A 126 40.462 79.390 49.018 1.00 44.33 C +ATOM 991 CG GLU A 126 39.993 79.093 50.452 1.00 50.44 C +ATOM 992 CD GLU A 126 40.351 77.673 50.900 1.00 54.68 C +ATOM 993 OE1 GLU A 126 39.833 76.636 50.462 1.00 54.15 O +ATOM 994 OE2 GLU A 126 41.350 77.667 51.764 1.00 56.46 O +ATOM 995 N SER A 127 41.958 76.564 48.473 1.00 38.52 N +ATOM 996 CA SER A 127 42.093 75.361 47.680 1.00 37.71 C +ATOM 997 C SER A 127 41.223 75.482 46.480 1.00 41.30 C +ATOM 998 O SER A 127 41.602 75.163 45.367 1.00 43.36 O +ATOM 999 CB SER A 127 41.674 74.173 48.483 1.00 33.08 C +ATOM 1000 OG SER A 127 42.330 74.293 49.723 1.00 34.92 O +ATOM 1001 N ARG A 128 40.101 76.110 46.725 1.00 43.02 N +ATOM 1002 CA ARG A 128 39.116 76.316 45.717 1.00 45.21 C +ATOM 1003 C ARG A 128 39.623 77.153 44.555 1.00 41.47 C +ATOM 1004 O ARG A 128 39.348 76.816 43.417 1.00 41.69 O +ATOM 1005 CB ARG A 128 37.826 76.880 46.297 1.00 51.36 C +ATOM 1006 CG ARG A 128 37.613 76.652 47.809 1.00 56.62 C +ATOM 1007 CD ARG A 128 37.734 75.220 48.358 1.00 59.56 C +ATOM 1008 NE ARG A 128 37.505 75.202 49.811 1.00 61.43 N +ATOM 1009 CZ ARG A 128 38.026 74.349 50.710 1.00 61.48 C +ATOM 1010 NH1 ARG A 128 38.904 73.411 50.326 1.00 60.52 N +ATOM 1011 NH2 ARG A 128 37.724 74.457 52.008 1.00 60.43 N +ATOM 1012 N GLN A 129 40.340 78.244 44.851 1.00 40.07 N +ATOM 1013 CA GLN A 129 40.927 79.160 43.874 1.00 35.93 C +ATOM 1014 C GLN A 129 42.022 78.480 43.080 1.00 31.58 C +ATOM 1015 O GLN A 129 42.265 78.743 41.905 1.00 29.74 O +ATOM 1016 CB GLN A 129 41.651 80.269 44.623 1.00 39.68 C +ATOM 1017 CG GLN A 129 40.889 81.562 45.036 1.00 45.09 C +ATOM 1018 CD GLN A 129 41.888 82.597 45.628 1.00 49.05 C +ATOM 1019 OE1 GLN A 129 42.381 83.493 44.907 1.00 49.59 O +ATOM 1020 NE2 GLN A 129 42.281 82.422 46.910 1.00 48.68 N +ATOM 1021 N ALA A 130 42.798 77.692 43.788 1.00 31.04 N +ATOM 1022 CA ALA A 130 43.881 76.979 43.175 1.00 29.95 C +ATOM 1023 C ALA A 130 43.323 75.887 42.320 1.00 31.98 C +ATOM 1024 O ALA A 130 43.676 75.794 41.157 1.00 34.06 O +ATOM 1025 CB ALA A 130 44.910 76.464 44.187 1.00 27.53 C +ATOM 1026 N GLN A 131 42.367 75.122 42.855 1.00 33.69 N +ATOM 1027 CA GLN A 131 41.797 74.025 42.085 1.00 38.20 C +ATOM 1028 C GLN A 131 41.258 74.496 40.762 1.00 38.91 C +ATOM 1029 O GLN A 131 41.622 73.997 39.688 1.00 41.84 O +ATOM 1030 CB GLN A 131 40.884 73.037 42.864 1.00 42.22 C +ATOM 1031 CG GLN A 131 40.447 71.767 42.037 1.00 47.26 C +ATOM 1032 CD GLN A 131 41.496 70.767 41.448 1.00 47.83 C +ATOM 1033 OE1 GLN A 131 41.696 70.712 40.199 1.00 47.92 O +ATOM 1034 NE2 GLN A 131 42.025 69.850 42.294 1.00 47.62 N +ATOM 1035 N ASP A 132 40.526 75.585 40.831 1.00 37.68 N +ATOM 1036 CA ASP A 132 39.935 76.206 39.661 1.00 36.54 C +ATOM 1037 C ASP A 132 40.945 76.665 38.625 1.00 32.99 C +ATOM 1038 O ASP A 132 40.669 76.631 37.436 1.00 33.26 O +ATOM 1039 CB ASP A 132 38.992 77.338 40.063 1.00 39.76 C +ATOM 1040 CG ASP A 132 37.791 76.805 40.766 1.00 42.89 C +ATOM 1041 OD1 ASP A 132 37.394 75.656 40.631 1.00 42.49 O +ATOM 1042 OD2 ASP A 132 37.227 77.702 41.530 1.00 45.72 O +ATOM 1043 N LEU A 133 42.066 77.194 39.086 1.00 31.98 N +ATOM 1044 CA LEU A 133 43.139 77.607 38.201 1.00 30.46 C +ATOM 1045 C LEU A 133 43.643 76.332 37.531 1.00 31.84 C +ATOM 1046 O LEU A 133 43.703 76.232 36.301 1.00 34.04 O +ATOM 1047 CB LEU A 133 44.265 78.270 39.021 1.00 31.33 C +ATOM 1048 CG LEU A 133 45.049 79.371 38.320 1.00 29.16 C +ATOM 1049 CD1 LEU A 133 46.450 79.415 38.931 1.00 26.42 C +ATOM 1050 CD2 LEU A 133 45.155 79.080 36.844 1.00 28.74 C +ATOM 1051 N ALA A 134 43.955 75.318 38.353 1.00 29.54 N +ATOM 1052 CA ALA A 134 44.403 74.049 37.840 1.00 28.33 C +ATOM 1053 C ALA A 134 43.468 73.628 36.731 1.00 32.05 C +ATOM 1054 O ALA A 134 43.888 73.482 35.586 1.00 29.36 O +ATOM 1055 CB ALA A 134 44.482 73.019 38.955 1.00 27.88 C +ATOM 1056 N ARG A 135 42.178 73.695 37.048 1.00 38.23 N +ATOM 1057 CA ARG A 135 41.115 73.348 36.142 1.00 42.05 C +ATOM 1058 C ARG A 135 41.049 74.191 34.907 1.00 44.13 C +ATOM 1059 O ARG A 135 40.706 73.684 33.852 1.00 44.92 O +ATOM 1060 CB ARG A 135 39.791 73.148 36.845 1.00 47.06 C +ATOM 1061 CG ARG A 135 39.834 71.914 37.769 1.00 51.81 C +ATOM 1062 CD ARG A 135 38.946 71.985 39.024 1.00 54.90 C +ATOM 1063 NE ARG A 135 37.649 72.624 38.795 1.00 58.94 N +ATOM 1064 CZ ARG A 135 36.820 73.095 39.740 1.00 61.47 C +ATOM 1065 NH1 ARG A 135 37.145 73.019 41.055 1.00 60.91 N +ATOM 1066 NH2 ARG A 135 35.653 73.641 39.378 1.00 62.44 N +ATOM 1067 N SER A 136 41.466 75.454 34.989 1.00 44.73 N +ATOM 1068 CA SER A 136 41.515 76.290 33.779 1.00 43.13 C +ATOM 1069 C SER A 136 42.644 75.902 32.829 1.00 42.28 C +ATOM 1070 O SER A 136 42.508 75.945 31.609 1.00 43.86 O +ATOM 1071 CB SER A 136 41.443 77.789 34.022 1.00 43.53 C +ATOM 1072 OG SER A 136 42.635 78.259 34.613 1.00 45.16 O +ATOM 1073 N TYR A 137 43.768 75.508 33.423 1.00 39.94 N +ATOM 1074 CA TYR A 137 44.950 74.989 32.751 1.00 35.93 C +ATOM 1075 C TYR A 137 44.783 73.578 32.194 1.00 33.15 C +ATOM 1076 O TYR A 137 45.529 73.154 31.336 1.00 34.35 O +ATOM 1077 CB TYR A 137 46.089 74.888 33.773 1.00 34.66 C +ATOM 1078 CG TYR A 137 46.491 76.236 34.195 1.00 32.39 C +ATOM 1079 CD1 TYR A 137 46.007 77.298 33.437 1.00 30.89 C +ATOM 1080 CD2 TYR A 137 47.564 76.429 35.065 1.00 29.94 C +ATOM 1081 CE1 TYR A 137 46.435 78.598 33.693 1.00 28.90 C +ATOM 1082 CE2 TYR A 137 48.010 77.722 35.322 1.00 28.45 C +ATOM 1083 CZ TYR A 137 47.451 78.792 34.622 1.00 26.64 C +ATOM 1084 OH TYR A 137 47.861 80.054 34.870 1.00 27.48 O +ATOM 1085 N GLY A 138 43.906 72.784 32.777 1.00 28.87 N +ATOM 1086 CA GLY A 138 43.734 71.408 32.334 1.00 27.24 C +ATOM 1087 C GLY A 138 44.780 70.527 33.000 1.00 29.70 C +ATOM 1088 O GLY A 138 45.198 69.474 32.493 1.00 33.32 O +ATOM 1089 N ILE A 139 45.186 70.928 34.199 1.00 22.64 N +ATOM 1090 CA ILE A 139 46.194 70.196 34.826 1.00 14.27 C +ATOM 1091 C ILE A 139 45.821 69.952 36.263 1.00 17.17 C +ATOM 1092 O ILE A 139 44.961 70.631 36.796 1.00 17.81 O +ATOM 1093 CB ILE A 139 47.448 71.001 34.756 1.00 17.13 C +ATOM 1094 CG1 ILE A 139 47.192 72.400 35.273 1.00 12.69 C +ATOM 1095 CG2 ILE A 139 48.035 71.028 33.367 1.00 14.85 C +ATOM 1096 CD1 ILE A 139 48.459 72.959 35.955 1.00 9.86 C +ATOM 1097 N PRO A 140 46.456 68.994 36.866 1.00 15.84 N +ATOM 1098 CA PRO A 140 46.123 68.587 38.180 1.00 16.01 C +ATOM 1099 C PRO A 140 46.602 69.550 39.194 1.00 21.76 C +ATOM 1100 O PRO A 140 47.445 70.382 38.902 1.00 24.83 O +ATOM 1101 CB PRO A 140 46.670 67.182 38.408 1.00 14.79 C +ATOM 1102 CG PRO A 140 47.107 66.721 37.031 1.00 16.46 C +ATOM 1103 CD PRO A 140 47.201 67.956 36.153 1.00 15.60 C +ATOM 1104 N TYR A 141 46.076 69.415 40.419 1.00 22.40 N +ATOM 1105 CA TYR A 141 46.469 70.290 41.466 1.00 19.28 C +ATOM 1106 C TYR A 141 46.711 69.449 42.677 1.00 19.82 C +ATOM 1107 O TYR A 141 45.939 68.542 42.894 1.00 18.88 O +ATOM 1108 CB TYR A 141 45.456 71.427 41.650 1.00 19.70 C +ATOM 1109 CG TYR A 141 45.732 72.245 42.889 1.00 21.18 C +ATOM 1110 CD1 TYR A 141 46.784 73.155 42.951 1.00 20.13 C +ATOM 1111 CD2 TYR A 141 44.933 72.080 44.015 1.00 22.82 C +ATOM 1112 CE1 TYR A 141 47.063 73.869 44.118 1.00 22.13 C +ATOM 1113 CE2 TYR A 141 45.168 72.812 45.175 1.00 26.46 C +ATOM 1114 CZ TYR A 141 46.264 73.662 45.242 1.00 24.74 C +ATOM 1115 OH TYR A 141 46.497 74.348 46.404 1.00 24.85 O +ATOM 1116 N ILE A 142 47.894 69.634 43.319 1.00 22.05 N +ATOM 1117 CA ILE A 142 48.300 68.906 44.508 1.00 18.78 C +ATOM 1118 C ILE A 142 48.738 69.851 45.587 1.00 21.82 C +ATOM 1119 O ILE A 142 49.292 70.930 45.350 1.00 24.69 O +ATOM 1120 CB ILE A 142 49.407 67.923 44.272 1.00 17.25 C +ATOM 1121 CG1 ILE A 142 48.951 67.052 43.176 1.00 16.11 C +ATOM 1122 CG2 ILE A 142 49.517 66.992 45.467 1.00 15.13 C +ATOM 1123 CD1 ILE A 142 48.233 65.899 43.804 1.00 18.41 C +ATOM 1124 N GLU A 143 48.351 69.497 46.787 1.00 21.24 N +ATOM 1125 CA GLU A 143 48.717 70.220 47.948 1.00 20.06 C +ATOM 1126 C GLU A 143 49.698 69.379 48.688 1.00 26.27 C +ATOM 1127 O GLU A 143 49.493 68.161 48.870 1.00 26.63 O +ATOM 1128 CB GLU A 143 47.553 70.749 48.801 1.00 20.08 C +ATOM 1129 CG GLU A 143 46.946 71.973 48.122 1.00 22.86 C +ATOM 1130 CD GLU A 143 45.930 72.693 48.957 1.00 29.12 C +ATOM 1131 OE1 GLU A 143 45.867 72.305 50.183 1.00 30.46 O +ATOM 1132 OE2 GLU A 143 45.217 73.546 48.524 1.00 30.86 O +ATOM 1133 N THR A 144 50.788 70.040 49.070 1.00 25.91 N +ATOM 1134 CA THR A 144 51.879 69.388 49.661 1.00 25.96 C +ATOM 1135 C THR A 144 52.325 70.154 50.876 1.00 26.31 C +ATOM 1136 O THR A 144 51.919 71.286 51.129 1.00 23.52 O +ATOM 1137 CB THR A 144 53.011 69.412 48.638 1.00 25.47 C +ATOM 1138 OG1 THR A 144 53.269 70.757 48.319 1.00 27.50 O +ATOM 1139 CG2 THR A 144 52.585 68.689 47.380 1.00 26.90 C +ATOM 1140 N SER A 145 53.240 69.511 51.570 1.00 25.99 N +ATOM 1141 CA SER A 145 53.891 70.029 52.739 1.00 24.52 C +ATOM 1142 C SER A 145 55.240 69.357 52.799 1.00 24.25 C +ATOM 1143 O SER A 145 55.335 68.163 52.961 1.00 24.97 O +ATOM 1144 CB SER A 145 53.051 69.809 53.991 1.00 28.78 C +ATOM 1145 OG SER A 145 53.792 70.126 55.177 1.00 31.53 O +ATOM 1146 N ALA A 146 56.263 70.114 52.472 1.00 25.11 N +ATOM 1147 CA ALA A 146 57.579 69.603 52.479 1.00 25.98 C +ATOM 1148 C ALA A 146 57.962 69.374 53.880 1.00 25.00 C +ATOM 1149 O ALA A 146 58.774 68.558 54.172 1.00 26.23 O +ATOM 1150 CB ALA A 146 58.551 70.551 51.840 1.00 28.99 C +ATOM 1151 N LYS A 147 57.316 70.080 54.756 1.00 30.69 N +ATOM 1152 CA LYS A 147 57.516 69.856 56.171 1.00 33.47 C +ATOM 1153 C LYS A 147 57.005 68.489 56.613 1.00 33.17 C +ATOM 1154 O LYS A 147 57.771 67.687 57.170 1.00 32.15 O +ATOM 1155 CB LYS A 147 56.791 70.922 56.983 1.00 35.14 C +ATOM 1156 CG LYS A 147 57.231 71.051 58.437 1.00 35.67 C +ATOM 1157 CD LYS A 147 56.715 72.353 59.021 1.00 38.94 C +ATOM 1158 CE LYS A 147 57.377 72.699 60.332 1.00 45.44 C +ATOM 1159 NZ LYS A 147 58.850 72.704 60.248 1.00 48.32 N +ATOM 1160 N THR A 148 55.665 68.281 56.454 1.00 32.61 N +ATOM 1161 CA THR A 148 55.002 67.066 56.882 1.00 28.56 C +ATOM 1162 C THR A 148 55.142 65.957 55.909 1.00 29.56 C +ATOM 1163 O THR A 148 55.019 64.829 56.285 1.00 29.29 O +ATOM 1164 CB THR A 148 53.561 67.240 57.295 1.00 32.92 C +ATOM 1165 OG1 THR A 148 52.777 67.344 56.131 1.00 38.02 O +ATOM 1166 CG2 THR A 148 53.420 68.512 58.125 1.00 35.08 C +ATOM 1167 N ARG A 149 55.642 66.268 54.719 1.00 30.67 N +ATOM 1168 CA ARG A 149 55.914 65.268 53.708 1.00 27.18 C +ATOM 1169 C ARG A 149 54.667 64.845 53.046 1.00 28.57 C +ATOM 1170 O ARG A 149 54.655 63.968 52.236 1.00 31.51 O +ATOM 1171 CB ARG A 149 56.666 64.058 54.173 1.00 26.97 C +ATOM 1172 CG ARG A 149 57.306 63.418 52.941 1.00 29.93 C +ATOM 1173 CD ARG A 149 58.148 62.171 53.214 1.00 33.64 C +ATOM 1174 NE ARG A 149 59.215 61.944 52.219 1.00 34.59 N +ATOM 1175 CZ ARG A 149 59.051 61.311 51.058 1.00 34.32 C +ATOM 1176 NH1 ARG A 149 57.827 60.870 50.747 1.00 34.05 N +ATOM 1177 NH2 ARG A 149 60.055 61.117 50.202 1.00 30.92 N +ATOM 1178 N GLN A 150 53.617 65.476 53.448 1.00 29.38 N +ATOM 1179 CA GLN A 150 52.304 65.261 52.944 1.00 31.72 C +ATOM 1180 C GLN A 150 52.237 65.665 51.485 1.00 33.76 C +ATOM 1181 O GLN A 150 52.655 66.761 51.123 1.00 37.95 O +ATOM 1182 CB GLN A 150 51.421 66.148 53.836 1.00 37.26 C +ATOM 1183 CG GLN A 150 49.998 66.510 53.366 1.00 44.81 C +ATOM 1184 CD GLN A 150 49.372 67.607 54.243 1.00 49.76 C +ATOM 1185 OE1 GLN A 150 49.911 67.961 55.343 1.00 50.51 O +ATOM 1186 NE2 GLN A 150 48.231 68.129 53.769 1.00 49.45 N +ATOM 1187 N GLY A 151 51.681 64.795 50.655 1.00 29.03 N +ATOM 1188 CA GLY A 151 51.463 65.072 49.258 1.00 25.09 C +ATOM 1189 C GLY A 151 52.718 65.060 48.402 1.00 26.19 C +ATOM 1190 O GLY A 151 52.642 65.220 47.184 1.00 26.44 O +ATOM 1191 N VAL A 152 53.901 64.935 49.021 1.00 25.75 N +ATOM 1192 CA VAL A 152 55.087 65.059 48.213 1.00 21.17 C +ATOM 1193 C VAL A 152 55.261 64.070 47.115 1.00 23.38 C +ATOM 1194 O VAL A 152 55.440 64.511 46.013 1.00 24.86 O +ATOM 1195 CB VAL A 152 56.368 65.556 48.870 1.00 21.05 C +ATOM 1196 CG1 VAL A 152 56.137 65.970 50.326 1.00 19.32 C +ATOM 1197 CG2 VAL A 152 57.524 64.610 48.663 1.00 17.38 C +ATOM 1198 N GLU A 153 55.068 62.763 47.364 1.00 24.74 N +ATOM 1199 CA GLU A 153 55.146 61.722 46.305 1.00 28.57 C +ATOM 1200 C GLU A 153 54.030 61.821 45.288 1.00 26.88 C +ATOM 1201 O GLU A 153 54.233 61.607 44.120 1.00 27.38 O +ATOM 1202 CB GLU A 153 55.143 60.311 46.892 1.00 35.58 C +ATOM 1203 CG GLU A 153 56.190 60.120 48.010 1.00 43.93 C +ATOM 1204 CD GLU A 153 56.200 58.712 48.573 1.00 50.79 C +ATOM 1205 OE1 GLU A 153 55.371 58.294 49.383 1.00 54.63 O +ATOM 1206 OE2 GLU A 153 57.139 57.963 48.033 1.00 53.47 O +ATOM 1207 N ASP A 154 52.839 62.197 45.733 1.00 27.97 N +ATOM 1208 CA ASP A 154 51.703 62.405 44.855 1.00 28.31 C +ATOM 1209 C ASP A 154 52.027 63.389 43.799 1.00 25.93 C +ATOM 1210 O ASP A 154 51.807 63.182 42.626 1.00 26.98 O +ATOM 1211 CB ASP A 154 50.493 62.957 45.615 1.00 33.45 C +ATOM 1212 CG ASP A 154 49.794 61.884 46.375 1.00 38.44 C +ATOM 1213 OD1 ASP A 154 49.698 60.770 45.963 1.00 41.06 O +ATOM 1214 OD2 ASP A 154 49.420 62.224 47.564 1.00 41.13 O +ATOM 1215 N ALA A 155 52.537 64.478 44.254 1.00 26.17 N +ATOM 1216 CA ALA A 155 52.895 65.556 43.393 1.00 22.60 C +ATOM 1217 C ALA A 155 53.806 65.160 42.285 1.00 20.72 C +ATOM 1218 O ALA A 155 53.602 65.557 41.165 1.00 22.33 O +ATOM 1219 CB ALA A 155 53.596 66.631 44.191 1.00 24.34 C +ATOM 1220 N PHE A 156 54.888 64.487 42.630 1.00 15.58 N +ATOM 1221 CA PHE A 156 55.821 64.088 41.638 1.00 11.48 C +ATOM 1222 C PHE A 156 55.351 62.919 40.803 1.00 16.73 C +ATOM 1223 O PHE A 156 55.596 62.899 39.600 1.00 20.70 O +ATOM 1224 CB PHE A 156 57.175 63.816 42.245 1.00 13.93 C +ATOM 1225 CG PHE A 156 57.928 65.021 42.655 1.00 10.73 C +ATOM 1226 CD1 PHE A 156 57.767 65.535 43.929 1.00 12.41 C +ATOM 1227 CD2 PHE A 156 58.956 65.484 41.840 1.00 12.05 C +ATOM 1228 CE1 PHE A 156 58.603 66.552 44.383 1.00 14.04 C +ATOM 1229 CE2 PHE A 156 59.796 66.503 42.258 1.00 15.52 C +ATOM 1230 CZ PHE A 156 59.622 67.004 43.544 1.00 12.75 C +ATOM 1231 N TYR A 157 54.654 61.950 41.432 1.00 18.96 N +ATOM 1232 CA TYR A 157 54.158 60.764 40.747 1.00 20.23 C +ATOM 1233 C TYR A 157 53.053 61.114 39.786 1.00 18.60 C +ATOM 1234 O TYR A 157 52.897 60.456 38.772 1.00 25.78 O +ATOM 1235 CB TYR A 157 53.700 59.660 41.715 1.00 24.58 C +ATOM 1236 CG TYR A 157 54.771 59.089 42.607 1.00 29.63 C +ATOM 1237 CD1 TYR A 157 55.985 59.752 42.746 1.00 33.15 C +ATOM 1238 CD2 TYR A 157 54.585 57.888 43.293 1.00 29.41 C +ATOM 1239 CE1 TYR A 157 56.981 59.273 43.594 1.00 34.56 C +ATOM 1240 CE2 TYR A 157 55.573 57.383 44.135 1.00 33.25 C +ATOM 1241 CZ TYR A 157 56.777 58.074 44.275 1.00 37.11 C +ATOM 1242 OH TYR A 157 57.789 57.582 45.084 1.00 40.93 O +ATOM 1243 N THR A 158 52.248 62.123 40.139 1.00 16.48 N +ATOM 1244 CA THR A 158 51.199 62.640 39.298 1.00 15.56 C +ATOM 1245 C THR A 158 51.852 63.240 38.047 1.00 18.90 C +ATOM 1246 O THR A 158 51.513 62.968 36.904 1.00 21.45 O +ATOM 1247 CB THR A 158 50.318 63.657 40.060 1.00 17.33 C +ATOM 1248 OG1 THR A 158 49.637 63.090 41.169 1.00 19.59 O +ATOM 1249 CG2 THR A 158 49.289 64.276 39.147 1.00 12.70 C +ATOM 1250 N LEU A 159 52.875 64.049 38.255 1.00 18.22 N +ATOM 1251 CA LEU A 159 53.688 64.654 37.210 1.00 11.26 C +ATOM 1252 C LEU A 159 54.230 63.581 36.323 1.00 13.50 C +ATOM 1253 O LEU A 159 54.209 63.688 35.119 1.00 18.60 O +ATOM 1254 CB LEU A 159 54.787 65.474 37.909 1.00 14.43 C +ATOM 1255 CG LEU A 159 55.923 65.973 37.060 1.00 17.19 C +ATOM 1256 CD1 LEU A 159 55.395 66.554 35.781 1.00 8.55 C +ATOM 1257 CD2 LEU A 159 56.704 67.012 37.816 1.00 14.17 C +ATOM 1258 N VAL A 160 54.714 62.490 36.895 1.00 13.80 N +ATOM 1259 CA VAL A 160 55.230 61.450 36.038 1.00 9.00 C +ATOM 1260 C VAL A 160 54.119 60.856 35.187 1.00 11.51 C +ATOM 1261 O VAL A 160 54.252 60.622 33.986 1.00 11.35 O +ATOM 1262 CB VAL A 160 55.935 60.374 36.853 1.00 11.60 C +ATOM 1263 CG1 VAL A 160 56.110 59.121 35.986 1.00 15.10 C +ATOM 1264 CG2 VAL A 160 57.327 60.844 37.201 1.00 5.67 C +ATOM 1265 N ARG A 161 53.012 60.564 35.836 1.00 15.97 N +ATOM 1266 CA ARG A 161 51.812 60.012 35.161 1.00 16.80 C +ATOM 1267 C ARG A 161 51.337 60.870 33.984 1.00 21.06 C +ATOM 1268 O ARG A 161 50.846 60.350 32.981 1.00 23.62 O +ATOM 1269 CB ARG A 161 50.632 59.733 36.114 1.00 14.37 C +ATOM 1270 CG ARG A 161 50.897 58.622 37.144 1.00 14.24 C +ATOM 1271 CD ARG A 161 49.991 58.645 38.382 1.00 16.40 C +ATOM 1272 NE ARG A 161 50.296 57.527 39.284 1.00 17.83 N +ATOM 1273 CZ ARG A 161 50.017 57.484 40.564 1.00 18.57 C +ATOM 1274 NH1 ARG A 161 49.495 58.552 41.113 1.00 16.57 N +ATOM 1275 NH2 ARG A 161 50.251 56.416 41.337 1.00 18.60 N +ATOM 1276 N GLU A 162 51.407 62.201 34.158 1.00 21.30 N +ATOM 1277 CA GLU A 162 51.013 63.141 33.126 1.00 20.95 C +ATOM 1278 C GLU A 162 51.897 62.997 31.923 1.00 21.04 C +ATOM 1279 O GLU A 162 51.446 62.917 30.781 1.00 23.02 O +ATOM 1280 CB GLU A 162 51.106 64.573 33.620 1.00 19.40 C +ATOM 1281 CG GLU A 162 50.005 64.938 34.604 1.00 19.68 C +ATOM 1282 CD GLU A 162 48.682 65.079 33.956 1.00 23.21 C +ATOM 1283 OE1 GLU A 162 48.371 65.984 33.235 1.00 21.30 O +ATOM 1284 OE2 GLU A 162 47.874 64.151 34.318 1.00 28.09 O +ATOM 1285 N ILE A 163 53.190 62.963 32.224 1.00 18.40 N +ATOM 1286 CA ILE A 163 54.230 62.785 31.227 1.00 18.73 C +ATOM 1287 C ILE A 163 53.940 61.515 30.482 1.00 21.94 C +ATOM 1288 O ILE A 163 53.911 61.498 29.256 1.00 22.36 O +ATOM 1289 CB ILE A 163 55.666 62.757 31.786 1.00 15.27 C +ATOM 1290 CG1 ILE A 163 56.073 64.129 32.386 1.00 15.94 C +ATOM 1291 CG2 ILE A 163 56.632 62.385 30.687 1.00 11.39 C +ATOM 1292 CD1 ILE A 163 57.246 64.004 33.394 1.00 9.90 C +ATOM 1293 N ARG A 164 53.705 60.475 31.260 1.00 20.98 N +ATOM 1294 CA ARG A 164 53.480 59.183 30.701 1.00 26.57 C +ATOM 1295 C ARG A 164 52.298 59.281 29.759 1.00 30.12 C +ATOM 1296 O ARG A 164 52.323 58.867 28.595 1.00 29.26 O +ATOM 1297 CB ARG A 164 53.257 58.262 31.878 1.00 29.66 C +ATOM 1298 CG ARG A 164 53.570 56.798 31.665 1.00 32.63 C +ATOM 1299 CD ARG A 164 53.269 56.013 32.938 1.00 35.13 C +ATOM 1300 NE ARG A 164 54.413 55.684 33.782 1.00 37.33 N +ATOM 1301 CZ ARG A 164 54.304 55.490 35.104 1.00 41.35 C +ATOM 1302 NH1 ARG A 164 53.134 55.777 35.731 1.00 40.28 N +ATOM 1303 NH2 ARG A 164 55.354 55.112 35.835 1.00 40.36 N +ATOM 1304 N GLN A 165 51.288 59.987 30.216 1.00 34.85 N +ATOM 1305 CA GLN A 165 50.077 60.123 29.422 1.00 37.52 C +ATOM 1306 C GLN A 165 50.309 60.933 28.164 1.00 37.31 C +ATOM 1307 O GLN A 165 49.847 60.606 27.103 1.00 35.03 O +ATOM 1308 CB GLN A 165 48.978 60.749 30.291 1.00 41.57 C +ATOM 1309 CG GLN A 165 47.611 60.820 29.634 1.00 47.62 C +ATOM 1310 CD GLN A 165 46.871 62.074 30.076 1.00 55.16 C +ATOM 1311 OE1 GLN A 165 45.920 62.035 30.875 1.00 55.99 O +ATOM 1312 NE2 GLN A 165 47.287 63.215 29.507 1.00 58.89 N +ATOM 1313 N HIS A 166 51.024 62.029 28.322 1.00 41.04 N +ATOM 1314 CA HIS A 166 51.347 62.927 27.241 1.00 39.88 C +ATOM 1315 C HIS A 166 52.138 62.173 26.201 1.00 41.14 C +ATOM 1316 O HIS A 166 52.087 62.452 25.025 1.00 40.38 O +ATOM 1317 CB HIS A 166 52.089 64.169 27.786 1.00 41.80 C +ATOM 1318 CG HIS A 166 52.778 64.977 26.749 1.00 42.81 C +ATOM 1319 ND1 HIS A 166 52.108 65.918 25.984 1.00 44.26 N +ATOM 1320 CD2 HIS A 166 54.085 65.026 26.415 1.00 42.34 C +ATOM 1321 CE1 HIS A 166 53.005 66.477 25.181 1.00 43.61 C +ATOM 1322 NE2 HIS A 166 54.200 65.933 25.399 1.00 42.68 N +ATOM 1323 N LYS A 167 52.800 61.119 26.611 1.00 41.14 N +ATOM 1324 CA LYS A 167 53.500 60.360 25.632 1.00 41.38 C +ATOM 1325 C LYS A 167 52.576 59.592 24.752 1.00 44.57 C +ATOM 1326 O LYS A 167 52.825 59.457 23.564 1.00 45.15 O +ATOM 1327 CB LYS A 167 54.519 59.480 26.233 1.00 41.20 C +ATOM 1328 CG LYS A 167 55.730 60.277 26.636 1.00 41.97 C +ATOM 1329 CD LYS A 167 56.719 59.371 27.295 1.00 42.48 C +ATOM 1330 CE LYS A 167 57.777 60.094 28.076 1.00 43.92 C +ATOM 1331 NZ LYS A 167 58.766 59.115 28.564 1.00 47.79 N +ATOM 1332 N LEU A 168 51.480 59.101 25.317 1.00 48.31 N +ATOM 1333 CA LEU A 168 50.483 58.420 24.493 1.00 51.73 C +ATOM 1334 C LEU A 168 49.567 59.448 23.777 1.00 54.20 C +ATOM 1335 O LEU A 168 48.381 59.570 24.191 1.00 57.26 O +ATOM 1336 CB LEU A 168 49.633 57.375 25.292 1.00 51.01 C +ATOM 1337 CG LEU A 168 50.412 56.649 26.394 1.00 50.30 C +ATOM 1338 CD1 LEU A 168 49.504 55.704 27.166 1.00 49.58 C +ATOM 1339 CD2 LEU A 168 51.598 55.879 25.836 1.00 50.30 C +ATOM 1340 N ARG A 169 49.999 60.160 22.815 1.00 53.67 N +TER 1341 ARG A 169 +END diff --git a/bench/main_benchmark/structures/SFB_AL_RAS_4Q21A_5P21A/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_RAS_4Q21A_5P21A/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..024dc3d0b97d40f55d606fdbefab1da80148832a --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_RAS_4Q21A_5P21A/state_b.pdb @@ -0,0 +1,1325 @@ +ATOM 1 N MET A 1 -7.186 32.862 -6.632 1.00 13.92 N +ATOM 2 CA MET A 1 -5.921 32.127 -6.684 1.00 17.10 C +ATOM 3 C MET A 1 -5.845 31.045 -5.621 1.00 16.74 C +ATOM 4 O MET A 1 -6.600 31.083 -4.636 1.00 16.60 O +ATOM 5 CB MET A 1 -4.673 33.058 -6.502 1.00 17.00 C +ATOM 6 CG MET A 1 -4.633 33.804 -5.188 1.00 18.08 C +ATOM 7 SD MET A 1 -3.115 34.766 -4.908 1.00 19.73 S +ATOM 8 CE MET A 1 -3.019 35.851 -6.310 1.00 20.41 C +ATOM 9 N THR A 2 -4.910 30.095 -5.820 1.00 14.70 N +ATOM 10 CA THR A 2 -4.661 29.030 -4.859 1.00 16.92 C +ATOM 11 C THR A 2 -4.230 29.655 -3.547 1.00 14.78 C +ATOM 12 O THR A 2 -3.338 30.501 -3.537 1.00 13.93 O +ATOM 13 CB THR A 2 -3.557 28.107 -5.401 1.00 18.03 C +ATOM 14 OG1 THR A 2 -4.059 27.565 -6.629 1.00 20.42 O +ATOM 15 CG2 THR A 2 -3.193 26.983 -4.443 1.00 18.51 C +ATOM 16 N GLU A 3 -4.911 29.290 -2.472 1.00 14.80 N +ATOM 17 CA GLU A 3 -4.504 29.730 -1.135 1.00 17.71 C +ATOM 18 C GLU A 3 -4.012 28.553 -0.278 1.00 17.33 C +ATOM 19 O GLU A 3 -4.520 27.427 -0.395 1.00 17.54 O +ATOM 20 CB GLU A 3 -5.655 30.402 -0.432 1.00 20.67 C +ATOM 21 CG GLU A 3 -6.213 31.631 -1.186 1.00 25.56 C +ATOM 22 CD GLU A 3 -7.128 32.563 -0.369 1.00 28.46 C +ATOM 23 OE1 GLU A 3 -7.578 32.216 0.728 1.00 27.72 O +ATOM 24 OE2 GLU A 3 -7.375 33.680 -0.827 1.00 32.49 O +ATOM 25 N TYR A 4 -2.962 28.744 0.542 1.00 14.50 N +ATOM 26 CA TYR A 4 -2.425 27.654 1.358 1.00 12.29 C +ATOM 27 C TYR A 4 -2.534 28.103 2.807 1.00 12.52 C +ATOM 28 O TYR A 4 -2.016 29.143 3.200 1.00 12.11 O +ATOM 29 CB TYR A 4 -0.975 27.385 1.026 1.00 11.46 C +ATOM 30 CG TYR A 4 -0.726 26.846 -0.387 1.00 12.38 C +ATOM 31 CD1 TYR A 4 -0.297 27.698 -1.395 1.00 13.00 C +ATOM 32 CD2 TYR A 4 -0.933 25.501 -0.649 1.00 14.09 C +ATOM 33 CE1 TYR A 4 -0.070 27.208 -2.674 1.00 13.89 C +ATOM 34 CE2 TYR A 4 -0.711 24.993 -1.917 1.00 14.65 C +ATOM 35 CZ TYR A 4 -0.279 25.859 -2.917 1.00 14.84 C +ATOM 36 OH TYR A 4 -0.084 25.357 -4.191 1.00 15.07 O +ATOM 37 N LYS A 5 -3.274 27.305 3.568 1.00 13.07 N +ATOM 38 CA LYS A 5 -3.554 27.569 4.970 1.00 12.96 C +ATOM 39 C LYS A 5 -2.556 26.818 5.852 1.00 12.74 C +ATOM 40 O LYS A 5 -2.645 25.611 6.092 1.00 11.58 O +ATOM 41 CB LYS A 5 -4.972 27.131 5.281 1.00 17.65 C +ATOM 42 CG LYS A 5 -6.053 27.833 4.446 1.00 23.49 C +ATOM 43 CD LYS A 5 -7.186 28.310 5.335 1.00 29.10 C +ATOM 44 CE LYS A 5 -6.655 29.309 6.403 1.00 33.68 C +ATOM 45 NZ LYS A 5 -6.597 28.739 7.755 1.00 36.52 N +ATOM 46 N LEU A 6 -1.543 27.574 6.297 1.00 13.08 N +ATOM 47 CA LEU A 6 -0.418 27.011 7.064 1.00 10.34 C +ATOM 48 C LEU A 6 -0.578 27.382 8.535 1.00 9.68 C +ATOM 49 O LEU A 6 -1.034 28.483 8.863 1.00 11.31 O +ATOM 50 CB LEU A 6 0.910 27.571 6.536 1.00 11.34 C +ATOM 51 CG LEU A 6 1.137 27.565 5.017 1.00 11.62 C +ATOM 52 CD1 LEU A 6 2.515 28.119 4.720 1.00 13.60 C +ATOM 53 CD2 LEU A 6 0.973 26.171 4.475 1.00 12.19 C +ATOM 54 N VAL A 7 -0.196 26.486 9.432 1.00 9.93 N +ATOM 55 CA VAL A 7 -0.333 26.787 10.852 1.00 10.06 C +ATOM 56 C VAL A 7 1.033 26.513 11.495 1.00 10.37 C +ATOM 57 O VAL A 7 1.597 25.441 11.252 1.00 9.51 O +ATOM 58 CB VAL A 7 -1.474 25.884 11.446 1.00 10.97 C +ATOM 59 CG1 VAL A 7 -1.610 26.163 12.943 1.00 11.39 C +ATOM 60 CG2 VAL A 7 -2.809 26.161 10.777 1.00 10.14 C +ATOM 61 N VAL A 8 1.576 27.455 12.295 1.00 8.35 N +ATOM 62 CA VAL A 8 2.878 27.262 12.944 1.00 6.92 C +ATOM 63 C VAL A 8 2.609 26.896 14.405 1.00 8.84 C +ATOM 64 O VAL A 8 1.930 27.663 15.092 1.00 9.21 O +ATOM 65 CB VAL A 8 3.684 28.565 12.799 1.00 8.08 C +ATOM 66 CG1 VAL A 8 5.111 28.324 13.261 1.00 9.52 C +ATOM 67 CG2 VAL A 8 3.729 29.011 11.358 1.00 8.43 C +ATOM 68 N VAL A 9 3.024 25.701 14.881 1.00 8.73 N +ATOM 69 CA VAL A 9 2.779 25.234 16.245 1.00 8.41 C +ATOM 70 C VAL A 9 4.075 24.806 16.919 1.00 8.21 C +ATOM 71 O VAL A 9 5.093 24.551 16.287 1.00 10.97 O +ATOM 72 CB VAL A 9 1.824 24.028 16.286 1.00 9.74 C +ATOM 73 CG1 VAL A 9 0.545 24.491 15.680 1.00 11.76 C +ATOM 74 CG2 VAL A 9 2.349 22.810 15.535 1.00 10.31 C +ATOM 75 N GLY A 10 4.048 24.707 18.238 1.00 7.34 N +ATOM 76 CA GLY A 10 5.231 24.336 19.009 1.00 7.98 C +ATOM 77 C GLY A 10 5.192 25.053 20.355 1.00 8.31 C +ATOM 78 O GLY A 10 4.417 25.994 20.595 1.00 9.89 O +ATOM 79 N ALA A 11 6.099 24.638 21.226 1.00 9.31 N +ATOM 80 CA ALA A 11 6.121 25.135 22.597 1.00 9.50 C +ATOM 81 C ALA A 11 6.440 26.625 22.711 1.00 9.66 C +ATOM 82 O ALA A 11 6.998 27.250 21.806 1.00 9.46 O +ATOM 83 CB ALA A 11 7.145 24.306 23.378 1.00 9.85 C +ATOM 84 N GLY A 12 6.111 27.227 23.847 1.00 10.36 N +ATOM 85 CA GLY A 12 6.406 28.632 24.054 1.00 9.30 C +ATOM 86 C GLY A 12 7.892 28.950 23.964 1.00 10.23 C +ATOM 87 O GLY A 12 8.785 28.249 24.466 1.00 10.57 O +ATOM 88 N GLY A 13 8.159 30.064 23.266 1.00 11.49 N +ATOM 89 CA GLY A 13 9.511 30.602 23.139 1.00 11.29 C +ATOM 90 C GLY A 13 10.436 29.950 22.108 1.00 12.22 C +ATOM 91 O GLY A 13 11.624 30.321 22.060 1.00 13.62 O +ATOM 92 N VAL A 14 9.961 28.991 21.286 1.00 9.23 N +ATOM 93 CA VAL A 14 10.848 28.327 20.317 1.00 10.38 C +ATOM 94 C VAL A 14 11.169 29.168 19.076 1.00 10.47 C +ATOM 95 O VAL A 14 12.108 28.841 18.353 1.00 12.07 O +ATOM 96 CB VAL A 14 10.246 26.970 19.856 1.00 9.98 C +ATOM 97 CG1 VAL A 14 10.187 26.074 21.120 1.00 9.93 C +ATOM 98 CG2 VAL A 14 8.866 27.127 19.200 1.00 9.52 C +ATOM 99 N GLY A 15 10.423 30.264 18.834 1.00 9.61 N +ATOM 100 CA GLY A 15 10.666 31.160 17.706 1.00 9.70 C +ATOM 101 C GLY A 15 9.615 31.061 16.626 1.00 8.82 C +ATOM 102 O GLY A 15 9.915 31.403 15.491 1.00 8.99 O +ATOM 103 N LYS A 16 8.395 30.591 16.916 1.00 8.18 N +ATOM 104 CA LYS A 16 7.331 30.521 15.913 1.00 8.44 C +ATOM 105 C LYS A 16 7.060 31.899 15.309 1.00 9.01 C +ATOM 106 O LYS A 16 7.020 32.044 14.086 1.00 8.25 O +ATOM 107 CB LYS A 16 6.014 30.000 16.529 1.00 9.27 C +ATOM 108 CG LYS A 16 6.132 28.585 17.086 1.00 9.11 C +ATOM 109 CD LYS A 16 4.820 28.077 17.726 1.00 9.31 C +ATOM 110 CE LYS A 16 4.351 28.934 18.888 1.00 10.05 C +ATOM 111 NZ LYS A 16 5.221 28.829 20.051 1.00 9.64 N +ATOM 112 N SER A 17 6.913 32.942 16.135 1.00 7.74 N +ATOM 113 CA SER A 17 6.661 34.295 15.649 1.00 8.78 C +ATOM 114 C SER A 17 7.854 34.859 14.919 1.00 9.73 C +ATOM 115 O SER A 17 7.653 35.446 13.868 1.00 9.70 O +ATOM 116 CB SER A 17 6.360 35.264 16.769 1.00 8.22 C +ATOM 117 OG SER A 17 5.083 34.853 17.204 1.00 8.79 O +ATOM 118 N ALA A 18 9.072 34.687 15.444 1.00 8.95 N +ATOM 119 CA ALA A 18 10.253 35.199 14.769 1.00 8.95 C +ATOM 120 C ALA A 18 10.438 34.576 13.374 1.00 8.54 C +ATOM 121 O ALA A 18 10.832 35.254 12.430 1.00 8.75 O +ATOM 122 CB ALA A 18 11.521 34.931 15.640 1.00 10.11 C +ATOM 123 N LEU A 19 10.136 33.284 13.176 1.00 8.31 N +ATOM 124 CA LEU A 19 10.225 32.667 11.837 1.00 9.30 C +ATOM 125 C LEU A 19 9.204 33.281 10.884 1.00 10.98 C +ATOM 126 O LEU A 19 9.534 33.652 9.751 1.00 10.47 O +ATOM 127 CB LEU A 19 9.938 31.165 11.885 1.00 9.41 C +ATOM 128 CG LEU A 19 11.035 30.275 12.487 1.00 11.80 C +ATOM 129 CD1 LEU A 19 10.491 28.866 12.723 1.00 10.43 C +ATOM 130 CD2 LEU A 19 12.256 30.288 11.554 1.00 13.42 C +ATOM 131 N THR A 20 7.950 33.419 11.335 1.00 10.72 N +ATOM 132 CA THR A 20 6.888 34.015 10.529 1.00 11.87 C +ATOM 133 C THR A 20 7.173 35.492 10.161 1.00 12.65 C +ATOM 134 O THR A 20 7.012 35.917 9.009 1.00 12.60 O +ATOM 135 CB THR A 20 5.547 33.888 11.312 1.00 13.43 C +ATOM 136 OG1 THR A 20 5.299 32.509 11.544 1.00 12.67 O +ATOM 137 CG2 THR A 20 4.346 34.410 10.518 1.00 14.64 C +ATOM 138 N ILE A 21 7.615 36.326 11.098 1.00 10.48 N +ATOM 139 CA ILE A 21 7.945 37.704 10.795 1.00 12.96 C +ATOM 140 C ILE A 21 9.197 37.831 9.927 1.00 14.26 C +ATOM 141 O ILE A 21 9.237 38.691 9.042 1.00 15.83 O +ATOM 142 CB ILE A 21 8.090 38.451 12.121 1.00 12.57 C +ATOM 143 CG1 ILE A 21 6.691 38.551 12.737 1.00 13.24 C +ATOM 144 CG2 ILE A 21 8.631 39.852 11.910 1.00 13.40 C +ATOM 145 CD1 ILE A 21 6.636 39.185 14.129 1.00 16.46 C +ATOM 146 N GLN A 22 10.206 36.979 10.092 1.00 13.58 N +ATOM 147 CA GLN A 22 11.330 36.983 9.179 1.00 14.91 C +ATOM 148 C GLN A 22 10.817 36.729 7.736 1.00 17.29 C +ATOM 149 O GLN A 22 11.120 37.485 6.792 1.00 15.91 O +ATOM 150 CB GLN A 22 12.270 35.930 9.736 1.00 15.90 C +ATOM 151 CG GLN A 22 13.686 35.878 9.230 1.00 19.36 C +ATOM 152 CD GLN A 22 14.372 37.217 9.091 1.00 18.08 C +ATOM 153 OE1 GLN A 22 14.160 37.984 8.143 1.00 19.23 O +ATOM 154 NE2 GLN A 22 15.224 37.492 10.050 1.00 17.40 N +ATOM 155 N LEU A 23 9.944 35.718 7.523 1.00 15.95 N +ATOM 156 CA LEU A 23 9.381 35.475 6.194 1.00 18.85 C +ATOM 157 C LEU A 23 8.539 36.622 5.636 1.00 18.21 C +ATOM 158 O LEU A 23 8.695 36.958 4.469 1.00 19.03 O +ATOM 159 CB LEU A 23 8.498 34.235 6.196 1.00 18.10 C +ATOM 160 CG LEU A 23 7.916 33.797 4.863 1.00 18.64 C +ATOM 161 CD1 LEU A 23 8.921 32.994 4.030 1.00 18.03 C +ATOM 162 CD2 LEU A 23 6.680 32.991 5.183 1.00 21.34 C +ATOM 163 N ILE A 24 7.634 37.197 6.428 1.00 19.25 N +ATOM 164 CA ILE A 24 6.682 38.198 5.953 1.00 20.23 C +ATOM 165 C ILE A 24 7.316 39.590 5.922 1.00 21.89 C +ATOM 166 O ILE A 24 7.125 40.318 4.943 1.00 22.93 O +ATOM 167 CB ILE A 24 5.399 38.222 6.881 1.00 21.20 C +ATOM 168 CG1 ILE A 24 4.664 36.907 6.821 1.00 21.27 C +ATOM 169 CG2 ILE A 24 4.423 39.307 6.446 1.00 20.00 C +ATOM 170 CD1 ILE A 24 4.128 36.442 5.475 1.00 23.98 C +ATOM 171 N GLN A 25 8.074 39.998 6.953 1.00 21.07 N +ATOM 172 CA GLN A 25 8.520 41.380 7.066 1.00 22.09 C +ATOM 173 C GLN A 25 10.003 41.559 6.962 1.00 20.75 C +ATOM 174 O GLN A 25 10.495 42.677 7.054 1.00 20.26 O +ATOM 175 CB GLN A 25 8.039 41.968 8.398 1.00 23.96 C +ATOM 176 CG GLN A 25 6.548 42.276 8.381 1.00 28.69 C +ATOM 177 CD GLN A 25 5.931 42.574 9.744 1.00 30.92 C +ATOM 178 OE1 GLN A 25 6.537 43.143 10.657 1.00 31.89 O +ATOM 179 NE2 GLN A 25 4.664 42.169 9.867 1.00 32.35 N +ATOM 180 N ASN A 26 10.764 40.482 6.795 1.00 22.13 N +ATOM 181 CA ASN A 26 12.198 40.642 6.628 1.00 24.67 C +ATOM 182 C ASN A 26 12.936 41.362 7.734 1.00 23.62 C +ATOM 183 O ASN A 26 13.603 42.372 7.521 1.00 25.10 O +ATOM 184 CB ASN A 26 12.522 41.369 5.315 1.00 27.68 C +ATOM 185 CG ASN A 26 12.942 40.351 4.288 1.00 32.80 C +ATOM 186 OD1 ASN A 26 12.135 39.699 3.602 1.00 33.77 O +ATOM 187 ND2 ASN A 26 14.268 40.203 4.237 1.00 34.26 N +ATOM 188 N HIS A 27 12.764 40.842 8.945 1.00 19.95 N +ATOM 189 CA HIS A 27 13.593 41.266 10.057 1.00 17.99 C +ATOM 190 C HIS A 27 13.441 40.299 11.215 1.00 16.84 C +ATOM 191 O HIS A 27 12.411 39.623 11.344 1.00 14.72 O +ATOM 192 CB HIS A 27 13.241 42.680 10.551 1.00 19.80 C +ATOM 193 CG HIS A 27 11.926 42.908 11.258 1.00 20.77 C +ATOM 194 ND1 HIS A 27 11.936 43.314 12.510 1.00 22.17 N +ATOM 195 CD2 HIS A 27 10.674 42.768 10.729 1.00 22.32 C +ATOM 196 CE1 HIS A 27 10.657 43.430 12.785 1.00 23.86 C +ATOM 197 NE2 HIS A 27 9.905 43.110 11.738 1.00 23.97 N +ATOM 198 N PHE A 28 14.516 40.222 12.012 1.00 15.44 N +ATOM 199 CA PHE A 28 14.528 39.413 13.223 1.00 13.89 C +ATOM 200 C PHE A 28 14.026 40.196 14.440 1.00 15.33 C +ATOM 201 O PHE A 28 14.528 41.255 14.786 1.00 16.80 O +ATOM 202 CB PHE A 28 15.938 38.906 13.470 1.00 12.73 C +ATOM 203 CG PHE A 28 16.083 38.150 14.786 1.00 13.35 C +ATOM 204 CD1 PHE A 28 15.354 36.990 15.012 1.00 13.80 C +ATOM 205 CD2 PHE A 28 16.974 38.615 15.740 1.00 14.54 C +ATOM 206 CE1 PHE A 28 15.534 36.310 16.194 1.00 14.45 C +ATOM 207 CE2 PHE A 28 17.147 37.925 16.920 1.00 14.61 C +ATOM 208 CZ PHE A 28 16.420 36.768 17.137 1.00 14.65 C +ATOM 209 N VAL A 29 12.970 39.697 15.089 1.00 17.22 N +ATOM 210 CA VAL A 29 12.467 40.313 16.294 1.00 19.11 C +ATOM 211 C VAL A 29 13.127 39.606 17.476 1.00 19.36 C +ATOM 212 O VAL A 29 13.245 38.376 17.605 1.00 18.14 O +ATOM 213 CB VAL A 29 10.894 40.205 16.412 1.00 22.03 C +ATOM 214 CG1 VAL A 29 10.334 40.869 15.143 1.00 19.66 C +ATOM 215 CG2 VAL A 29 10.377 38.776 16.631 1.00 23.15 C +ATOM 216 N ASP A 30 13.615 40.484 18.324 1.00 20.14 N +ATOM 217 CA ASP A 30 14.229 40.019 19.518 1.00 24.04 C +ATOM 218 C ASP A 30 13.676 40.746 20.721 1.00 25.93 C +ATOM 219 O ASP A 30 14.244 41.709 21.238 1.00 29.26 O +ATOM 220 CB ASP A 30 15.719 40.203 19.443 1.00 27.10 C +ATOM 221 CG ASP A 30 16.389 39.731 20.732 1.00 32.46 C +ATOM 222 OD1 ASP A 30 15.878 38.859 21.464 1.00 34.28 O +ATOM 223 OD2 ASP A 30 17.458 40.264 21.002 1.00 36.46 O +ATOM 224 N GLU A 31 12.472 40.347 21.076 1.00 26.14 N +ATOM 225 CA GLU A 31 11.922 40.804 22.318 1.00 28.72 C +ATOM 226 C GLU A 31 10.870 39.836 22.749 1.00 26.20 C +ATOM 227 O GLU A 31 10.466 38.931 22.014 1.00 23.14 O +ATOM 228 CB GLU A 31 11.337 42.210 22.204 1.00 33.25 C +ATOM 229 CG GLU A 31 10.350 42.618 21.152 1.00 40.08 C +ATOM 230 CD GLU A 31 10.572 44.107 20.887 1.00 44.71 C +ATOM 231 OE1 GLU A 31 10.930 44.444 19.755 1.00 47.50 O +ATOM 232 OE2 GLU A 31 10.420 44.928 21.806 1.00 47.89 O +ATOM 233 N TYR A 32 10.550 40.044 24.028 1.00 22.26 N +ATOM 234 CA TYR A 32 9.597 39.196 24.685 1.00 18.83 C +ATOM 235 C TYR A 32 8.204 39.688 24.317 1.00 17.53 C +ATOM 236 O TYR A 32 7.794 40.792 24.676 1.00 18.45 O +ATOM 237 CB TYR A 32 9.909 39.259 26.199 1.00 16.84 C +ATOM 238 CG TYR A 32 9.076 38.309 27.052 1.00 15.64 C +ATOM 239 CD1 TYR A 32 9.598 37.096 27.433 1.00 16.17 C +ATOM 240 CD2 TYR A 32 7.814 38.686 27.459 1.00 15.54 C +ATOM 241 CE1 TYR A 32 8.845 36.251 28.239 1.00 17.86 C +ATOM 242 CE2 TYR A 32 7.051 37.861 28.257 1.00 14.40 C +ATOM 243 CZ TYR A 32 7.572 36.635 28.652 1.00 16.47 C +ATOM 244 OH TYR A 32 6.821 35.789 29.485 1.00 13.59 O +ATOM 245 N ASP A 33 7.461 38.841 23.604 1.00 13.43 N +ATOM 246 CA ASP A 33 6.128 39.200 23.141 1.00 14.00 C +ATOM 247 C ASP A 33 5.262 37.955 22.854 1.00 13.56 C +ATOM 248 O ASP A 33 5.024 37.586 21.681 1.00 12.47 O +ATOM 249 CB ASP A 33 6.271 40.072 21.864 1.00 15.92 C +ATOM 250 CG ASP A 33 4.993 40.654 21.269 1.00 18.19 C +ATOM 251 OD1 ASP A 33 3.923 40.631 21.879 1.00 21.46 O +ATOM 252 OD2 ASP A 33 5.074 41.164 20.167 1.00 20.34 O +ATOM 253 N PRO A 34 4.752 37.283 23.903 1.00 12.04 N +ATOM 254 CA PRO A 34 3.949 36.070 23.788 1.00 11.09 C +ATOM 255 C PRO A 34 2.720 36.248 22.895 1.00 11.76 C +ATOM 256 O PRO A 34 1.953 37.220 23.006 1.00 12.63 O +ATOM 257 CB PRO A 34 3.590 35.711 25.219 1.00 12.50 C +ATOM 258 CG PRO A 34 4.643 36.418 26.033 1.00 12.14 C +ATOM 259 CD PRO A 34 4.817 37.717 25.311 1.00 12.82 C +ATOM 260 N THR A 35 2.554 35.282 21.972 1.00 11.00 N +ATOM 261 CA THR A 35 1.421 35.320 21.033 1.00 11.54 C +ATOM 262 C THR A 35 0.140 34.746 21.639 1.00 13.51 C +ATOM 263 O THR A 35 0.174 33.820 22.450 1.00 12.45 O +ATOM 264 CB THR A 35 1.730 34.518 19.751 1.00 11.34 C +ATOM 265 OG1 THR A 35 2.900 35.134 19.233 1.00 11.20 O +ATOM 266 CG2 THR A 35 0.706 34.611 18.637 1.00 13.10 C +ATOM 267 N ILE A 36 -0.996 35.332 21.233 1.00 15.48 N +ATOM 268 CA ILE A 36 -2.308 34.792 21.567 1.00 19.42 C +ATOM 269 C ILE A 36 -2.663 34.079 20.274 1.00 17.36 C +ATOM 270 O ILE A 36 -2.749 32.863 20.256 1.00 18.29 O +ATOM 271 CB ILE A 36 -3.353 35.914 21.879 1.00 21.30 C +ATOM 272 CG1 ILE A 36 -2.930 36.823 23.072 1.00 24.32 C +ATOM 273 CG2 ILE A 36 -4.670 35.207 22.136 1.00 21.54 C +ATOM 274 CD1 ILE A 36 -2.494 36.167 24.413 1.00 24.70 C +ATOM 275 N GLU A 37 -2.818 34.822 19.181 1.00 19.35 N +ATOM 276 CA GLU A 37 -3.059 34.221 17.889 1.00 21.47 C +ATOM 277 C GLU A 37 -2.957 35.362 16.897 1.00 23.77 C +ATOM 278 O GLU A 37 -3.636 36.393 17.031 1.00 25.49 O +ATOM 279 CB GLU A 37 -4.440 33.611 17.880 1.00 25.97 C +ATOM 280 CG GLU A 37 -4.766 32.776 16.667 1.00 33.81 C +ATOM 281 CD GLU A 37 -6.160 32.154 16.777 1.00 38.37 C +ATOM 282 OE1 GLU A 37 -7.095 32.664 16.149 1.00 37.86 O +ATOM 283 OE2 GLU A 37 -6.298 31.164 17.515 1.00 42.24 O +ATOM 284 N ASP A 38 -2.070 35.212 15.911 1.00 19.96 N +ATOM 285 CA ASP A 38 -1.899 36.178 14.839 1.00 17.94 C +ATOM 286 C ASP A 38 -2.024 35.526 13.473 1.00 18.21 C +ATOM 287 O ASP A 38 -1.582 34.393 13.294 1.00 16.96 O +ATOM 288 CB ASP A 38 -0.540 36.833 14.965 1.00 18.83 C +ATOM 289 CG ASP A 38 -0.507 37.817 16.133 1.00 20.08 C +ATOM 290 OD1 ASP A 38 -1.390 38.660 16.208 1.00 25.47 O +ATOM 291 OD2 ASP A 38 0.375 37.781 16.967 1.00 20.08 O +ATOM 292 N SER A 39 -2.698 36.170 12.507 1.00 17.82 N +ATOM 293 CA SER A 39 -2.691 35.658 11.133 1.00 18.16 C +ATOM 294 C SER A 39 -2.012 36.627 10.171 1.00 16.95 C +ATOM 295 O SER A 39 -2.053 37.853 10.333 1.00 15.80 O +ATOM 296 CB SER A 39 -4.094 35.402 10.637 1.00 23.01 C +ATOM 297 OG SER A 39 -4.873 36.571 10.754 1.00 27.13 O +ATOM 298 N TYR A 40 -1.336 36.080 9.168 1.00 15.44 N +ATOM 299 CA TYR A 40 -0.607 36.889 8.196 1.00 16.25 C +ATOM 300 C TYR A 40 -1.018 36.383 6.830 1.00 17.06 C +ATOM 301 O TYR A 40 -1.160 35.172 6.638 1.00 18.29 O +ATOM 302 CB TYR A 40 0.909 36.724 8.370 1.00 16.59 C +ATOM 303 CG TYR A 40 1.439 37.242 9.707 1.00 16.10 C +ATOM 304 CD1 TYR A 40 1.473 36.412 10.815 1.00 16.77 C +ATOM 305 CD2 TYR A 40 1.883 38.549 9.799 1.00 18.02 C +ATOM 306 CE1 TYR A 40 1.950 36.893 12.021 1.00 16.86 C +ATOM 307 CE2 TYR A 40 2.368 39.032 11.001 1.00 18.70 C +ATOM 308 CZ TYR A 40 2.396 38.199 12.104 1.00 17.62 C +ATOM 309 OH TYR A 40 2.853 38.695 13.304 1.00 18.37 O +ATOM 310 N ARG A 41 -1.270 37.303 5.900 1.00 15.48 N +ATOM 311 CA ARG A 41 -1.660 36.918 4.558 1.00 15.42 C +ATOM 312 C ARG A 41 -0.730 37.606 3.586 1.00 16.76 C +ATOM 313 O ARG A 41 -0.536 38.829 3.633 1.00 17.01 O +ATOM 314 CB ARG A 41 -3.087 37.342 4.277 1.00 17.64 C +ATOM 315 CG ARG A 41 -4.150 36.507 4.947 1.00 18.09 C +ATOM 316 CD ARG A 41 -5.528 37.181 4.849 1.00 19.64 C +ATOM 317 NE ARG A 41 -6.066 37.318 3.489 1.00 20.11 N +ATOM 318 CZ ARG A 41 -6.660 36.329 2.803 1.00 22.17 C +ATOM 319 NH1 ARG A 41 -7.219 36.571 1.617 1.00 22.48 N +ATOM 320 NH2 ARG A 41 -6.711 35.090 3.274 1.00 23.55 N +ATOM 321 N LYS A 42 -0.135 36.827 2.679 1.00 16.52 N +ATOM 322 CA LYS A 42 0.835 37.405 1.758 1.00 16.59 C +ATOM 323 C LYS A 42 0.740 36.746 0.387 1.00 16.04 C +ATOM 324 O LYS A 42 0.794 35.528 0.307 1.00 14.74 O +ATOM 325 CB LYS A 42 2.208 37.210 2.401 1.00 18.22 C +ATOM 326 CG LYS A 42 3.388 37.784 1.669 1.00 22.68 C +ATOM 327 CD LYS A 42 3.369 39.274 1.792 1.00 28.09 C +ATOM 328 CE LYS A 42 4.695 39.876 1.317 1.00 31.70 C +ATOM 329 NZ LYS A 42 4.828 39.827 -0.128 1.00 35.70 N +ATOM 330 N GLN A 43 0.561 37.510 -0.697 1.00 16.89 N +ATOM 331 CA GLN A 43 0.579 36.950 -2.047 1.00 19.10 C +ATOM 332 C GLN A 43 2.026 36.729 -2.448 1.00 15.08 C +ATOM 333 O GLN A 43 2.828 37.654 -2.362 1.00 15.72 O +ATOM 334 CB GLN A 43 -0.116 37.908 -3.043 1.00 23.32 C +ATOM 335 CG GLN A 43 0.543 38.332 -4.415 1.00 32.83 C +ATOM 336 CD GLN A 43 1.081 37.332 -5.482 1.00 36.11 C +ATOM 337 OE1 GLN A 43 0.457 36.335 -5.865 1.00 37.78 O +ATOM 338 NE2 GLN A 43 2.271 37.606 -6.053 1.00 35.45 N +ATOM 339 N VAL A 44 2.394 35.532 -2.922 1.00 12.79 N +ATOM 340 CA VAL A 44 3.771 35.242 -3.311 1.00 11.03 C +ATOM 341 C VAL A 44 3.724 34.425 -4.605 1.00 14.28 C +ATOM 342 O VAL A 44 2.633 34.109 -5.090 1.00 14.90 O +ATOM 343 CB VAL A 44 4.508 34.411 -2.223 1.00 13.21 C +ATOM 344 CG1 VAL A 44 4.669 35.282 -0.977 1.00 15.04 C +ATOM 345 CG2 VAL A 44 3.761 33.116 -1.889 1.00 12.89 C +ATOM 346 N VAL A 45 4.879 34.127 -5.235 1.00 13.20 N +ATOM 347 CA VAL A 45 4.938 33.277 -6.419 1.00 12.28 C +ATOM 348 C VAL A 45 5.836 32.161 -5.970 1.00 11.08 C +ATOM 349 O VAL A 45 6.988 32.447 -5.636 1.00 13.13 O +ATOM 350 CB VAL A 45 5.587 33.979 -7.641 1.00 13.01 C +ATOM 351 CG1 VAL A 45 5.549 33.031 -8.810 1.00 14.51 C +ATOM 352 CG2 VAL A 45 4.787 35.173 -8.108 1.00 13.54 C +ATOM 353 N ILE A 46 5.374 30.907 -5.915 1.00 9.89 N +ATOM 354 CA ILE A 46 6.274 29.795 -5.491 1.00 11.03 C +ATOM 355 C ILE A 46 6.369 28.800 -6.662 1.00 8.85 C +ATOM 356 O ILE A 46 5.319 28.296 -7.059 1.00 10.25 O +ATOM 357 CB ILE A 46 5.692 29.115 -4.203 1.00 10.64 C +ATOM 358 CG1 ILE A 46 5.652 30.096 -3.042 1.00 11.20 C +ATOM 359 CG2 ILE A 46 6.599 27.953 -3.757 1.00 12.93 C +ATOM 360 CD1 ILE A 46 4.937 29.536 -1.808 1.00 8.90 C +ATOM 361 N ASP A 47 7.565 28.495 -7.224 1.00 9.41 N +ATOM 362 CA ASP A 47 7.767 27.650 -8.426 1.00 9.70 C +ATOM 363 C ASP A 47 6.838 28.031 -9.572 1.00 11.14 C +ATOM 364 O ASP A 47 6.225 27.211 -10.248 1.00 14.09 O +ATOM 365 CB ASP A 47 7.566 26.165 -8.105 1.00 10.73 C +ATOM 366 CG ASP A 47 8.388 25.783 -6.874 1.00 13.52 C +ATOM 367 OD1 ASP A 47 7.805 25.291 -5.898 1.00 12.04 O +ATOM 368 OD2 ASP A 47 9.598 26.024 -6.872 1.00 11.31 O +ATOM 369 N GLY A 48 6.724 29.353 -9.735 1.00 10.78 N +ATOM 370 CA GLY A 48 5.930 29.961 -10.785 1.00 13.29 C +ATOM 371 C GLY A 48 4.426 29.989 -10.548 1.00 14.28 C +ATOM 372 O GLY A 48 3.677 30.512 -11.386 1.00 15.19 O +ATOM 373 N GLU A 49 3.944 29.422 -9.439 1.00 13.41 N +ATOM 374 CA GLU A 49 2.520 29.457 -9.143 1.00 13.90 C +ATOM 375 C GLU A 49 2.223 30.700 -8.314 1.00 15.34 C +ATOM 376 O GLU A 49 2.860 30.906 -7.275 1.00 14.56 O +ATOM 377 CB GLU A 49 2.124 28.238 -8.340 1.00 15.50 C +ATOM 378 CG GLU A 49 0.630 28.250 -7.990 1.00 18.10 C +ATOM 379 CD GLU A 49 0.204 27.110 -7.100 1.00 19.13 C +ATOM 380 OE1 GLU A 49 0.717 27.004 -5.996 1.00 19.53 O +ATOM 381 OE2 GLU A 49 -0.630 26.321 -7.529 1.00 22.12 O +ATOM 382 N THR A 50 1.267 31.536 -8.734 1.00 14.06 N +ATOM 383 CA THR A 50 0.901 32.697 -7.927 1.00 16.15 C +ATOM 384 C THR A 50 -0.001 32.169 -6.819 1.00 13.35 C +ATOM 385 O THR A 50 -0.938 31.409 -7.046 1.00 15.13 O +ATOM 386 CB THR A 50 0.203 33.755 -8.846 1.00 17.88 C +ATOM 387 OG1 THR A 50 -0.245 34.813 -8.012 1.00 24.33 O +ATOM 388 CG2 THR A 50 -1.028 33.236 -9.518 1.00 19.78 C +ATOM 389 N CYS A 51 0.306 32.442 -5.563 1.00 13.28 N +ATOM 390 CA CYS A 51 -0.566 31.959 -4.508 1.00 15.16 C +ATOM 391 C CYS A 51 -0.579 32.892 -3.303 1.00 14.00 C +ATOM 392 O CYS A 51 0.161 33.874 -3.231 1.00 11.81 O +ATOM 393 CB CYS A 51 -0.132 30.537 -4.079 1.00 14.08 C +ATOM 394 SG CYS A 51 1.597 30.409 -3.575 1.00 16.09 S +ATOM 395 N LEU A 52 -1.521 32.609 -2.405 1.00 13.77 N +ATOM 396 CA LEU A 52 -1.573 33.397 -1.199 1.00 16.01 C +ATOM 397 C LEU A 52 -1.260 32.497 -0.025 1.00 14.53 C +ATOM 398 O LEU A 52 -1.868 31.443 0.113 1.00 16.05 O +ATOM 399 CB LEU A 52 -2.957 33.986 -1.014 1.00 19.71 C +ATOM 400 CG LEU A 52 -3.122 34.885 0.214 1.00 20.84 C +ATOM 401 CD1 LEU A 52 -3.070 36.329 -0.220 1.00 21.38 C +ATOM 402 CD2 LEU A 52 -4.420 34.526 0.923 1.00 20.90 C +ATOM 403 N LEU A 53 -0.319 32.904 0.800 1.00 12.41 N +ATOM 404 CA LEU A 53 0.019 32.232 2.048 1.00 13.70 C +ATOM 405 C LEU A 53 -0.841 32.852 3.148 1.00 13.85 C +ATOM 406 O LEU A 53 -0.733 34.056 3.413 1.00 12.82 O +ATOM 407 CB LEU A 53 1.485 32.464 2.400 1.00 14.51 C +ATOM 408 CG LEU A 53 2.707 31.589 2.031 1.00 19.29 C +ATOM 409 CD1 LEU A 53 2.394 30.553 0.962 1.00 18.56 C +ATOM 410 CD2 LEU A 53 3.843 32.557 1.741 1.00 20.00 C +ATOM 411 N ASP A 54 -1.699 32.023 3.751 1.00 11.96 N +ATOM 412 CA ASP A 54 -2.476 32.445 4.884 1.00 15.07 C +ATOM 413 C ASP A 54 -1.882 31.675 6.055 1.00 12.67 C +ATOM 414 O ASP A 54 -2.099 30.477 6.234 1.00 13.99 O +ATOM 415 CB ASP A 54 -3.930 32.088 4.644 1.00 19.33 C +ATOM 416 CG ASP A 54 -4.826 32.609 5.746 1.00 24.24 C +ATOM 417 OD1 ASP A 54 -4.412 32.652 6.897 1.00 28.17 O +ATOM 418 OD2 ASP A 54 -5.958 32.979 5.450 1.00 27.59 O +ATOM 419 N ILE A 55 -1.127 32.389 6.880 1.00 11.78 N +ATOM 420 CA ILE A 55 -0.346 31.769 7.935 1.00 12.15 C +ATOM 421 C ILE A 55 -0.953 32.099 9.296 1.00 13.10 C +ATOM 422 O ILE A 55 -1.195 33.271 9.587 1.00 13.84 O +ATOM 423 CB ILE A 55 1.109 32.282 7.931 1.00 12.42 C +ATOM 424 CG1 ILE A 55 1.859 31.979 6.653 1.00 13.99 C +ATOM 425 CG2 ILE A 55 1.859 31.505 9.018 1.00 13.24 C +ATOM 426 CD1 ILE A 55 3.176 32.768 6.497 1.00 15.68 C +ATOM 427 N LEU A 56 -1.176 31.083 10.134 1.00 11.64 N +ATOM 428 CA LEU A 56 -1.642 31.341 11.490 1.00 11.98 C +ATOM 429 C LEU A 56 -0.524 31.027 12.431 1.00 9.99 C +ATOM 430 O LEU A 56 -0.017 29.895 12.447 1.00 9.72 O +ATOM 431 CB LEU A 56 -2.836 30.463 11.896 1.00 13.80 C +ATOM 432 CG LEU A 56 -3.470 30.741 13.297 1.00 16.13 C +ATOM 433 CD1 LEU A 56 -4.347 31.987 13.260 1.00 15.28 C +ATOM 434 CD2 LEU A 56 -4.321 29.580 13.692 1.00 16.84 C +ATOM 435 N ASP A 57 -0.188 32.084 13.182 1.00 10.40 N +ATOM 436 CA ASP A 57 0.815 32.014 14.219 1.00 10.30 C +ATOM 437 C ASP A 57 0.127 31.812 15.571 1.00 11.75 C +ATOM 438 O ASP A 57 -0.652 32.631 16.053 1.00 12.91 O +ATOM 439 CB ASP A 57 1.602 33.296 14.173 1.00 10.66 C +ATOM 440 CG ASP A 57 2.778 33.336 15.132 1.00 11.39 C +ATOM 441 OD1 ASP A 57 3.306 32.298 15.535 1.00 11.07 O +ATOM 442 OD2 ASP A 57 3.168 34.448 15.455 1.00 13.15 O +ATOM 443 N THR A 58 0.447 30.723 16.244 1.00 12.55 N +ATOM 444 CA THR A 58 -0.324 30.325 17.416 1.00 12.98 C +ATOM 445 C THR A 58 0.368 30.541 18.758 1.00 13.48 C +ATOM 446 O THR A 58 1.568 30.812 18.815 1.00 14.00 O +ATOM 447 CB THR A 58 -0.698 28.851 17.219 1.00 9.54 C +ATOM 448 OG1 THR A 58 0.491 28.084 17.369 1.00 11.40 O +ATOM 449 CG2 THR A 58 -1.313 28.597 15.848 1.00 12.27 C +ATOM 450 N ALA A 59 -0.371 30.382 19.868 1.00 14.38 N +ATOM 451 CA ALA A 59 0.230 30.510 21.194 1.00 14.79 C +ATOM 452 C ALA A 59 0.928 29.210 21.608 1.00 15.41 C +ATOM 453 O ALA A 59 0.448 28.106 21.324 1.00 13.07 O +ATOM 454 CB ALA A 59 -0.845 30.818 22.238 1.00 15.47 C +ATOM 455 N GLY A 60 2.084 29.341 22.271 1.00 17.71 N +ATOM 456 CA GLY A 60 2.807 28.208 22.814 1.00 24.18 C +ATOM 457 C GLY A 60 2.190 27.751 24.130 1.00 31.21 C +ATOM 458 O GLY A 60 2.538 26.688 24.627 1.00 30.44 O +ATOM 459 N GLN A 61 1.260 28.503 24.726 1.00 39.50 N +ATOM 460 CA GLN A 61 0.671 28.099 25.994 1.00 48.84 C +ATOM 461 C GLN A 61 -0.683 27.395 25.985 1.00 51.52 C +ATOM 462 O GLN A 61 -1.606 27.780 25.276 1.00 52.17 O +ATOM 463 CB GLN A 61 0.605 29.327 26.874 1.00 51.56 C +ATOM 464 CG GLN A 61 0.871 28.861 28.312 1.00 56.74 C +ATOM 465 CD GLN A 61 1.506 29.937 29.177 1.00 58.74 C +ATOM 466 OE1 GLN A 61 2.647 29.795 29.616 1.00 60.12 O +ATOM 467 NE2 GLN A 61 0.783 31.031 29.429 1.00 60.18 N +ATOM 468 N GLU A 62 -0.804 26.349 26.818 1.00 57.40 N +ATOM 469 CA GLU A 62 -2.008 25.527 26.927 1.00 61.96 C +ATOM 470 C GLU A 62 -3.185 26.196 27.631 1.00 62.20 C +ATOM 471 O GLU A 62 -4.138 25.496 27.975 1.00 62.85 O +ATOM 472 CB GLU A 62 -1.629 24.183 27.632 1.00 65.18 C +ATOM 473 CG GLU A 62 -2.622 22.966 27.761 1.00 68.22 C +ATOM 474 CD GLU A 62 -3.032 22.132 26.528 1.00 70.25 C +ATOM 475 OE1 GLU A 62 -2.710 22.494 25.395 1.00 71.45 O +ATOM 476 OE2 GLU A 62 -3.691 21.101 26.689 1.00 70.00 O +ATOM 477 N GLU A 63 -3.206 27.520 27.904 1.00 62.78 N +ATOM 478 CA GLU A 63 -4.496 28.139 28.254 1.00 63.62 C +ATOM 479 C GLU A 63 -5.457 27.854 27.085 1.00 63.71 C +ATOM 480 O GLU A 63 -6.688 27.814 27.211 1.00 62.97 O +ATOM 481 CB GLU A 63 -4.372 29.666 28.475 1.00 65.13 C +ATOM 482 CG GLU A 63 -3.456 30.553 27.607 1.00 66.91 C +ATOM 483 CD GLU A 63 -4.012 31.235 26.345 1.00 68.05 C +ATOM 484 OE1 GLU A 63 -5.220 31.462 26.220 1.00 68.64 O +ATOM 485 OE2 GLU A 63 -3.198 31.568 25.481 1.00 67.62 O +ATOM 486 N TYR A 64 -4.801 27.606 25.934 1.00 63.36 N +ATOM 487 CA TYR A 64 -5.420 27.092 24.743 1.00 63.20 C +ATOM 488 C TYR A 64 -5.905 25.653 24.875 1.00 61.76 C +ATOM 489 O TYR A 64 -7.120 25.486 24.858 1.00 63.04 O +ATOM 490 CB TYR A 64 -4.437 27.208 23.613 1.00 64.83 C +ATOM 491 CG TYR A 64 -4.736 28.459 22.818 1.00 66.98 C +ATOM 492 CD1 TYR A 64 -4.300 29.686 23.267 1.00 67.55 C +ATOM 493 CD2 TYR A 64 -5.459 28.355 21.646 1.00 67.97 C +ATOM 494 CE1 TYR A 64 -4.587 30.825 22.536 1.00 69.49 C +ATOM 495 CE2 TYR A 64 -5.752 29.488 20.911 1.00 69.29 C +ATOM 496 CZ TYR A 64 -5.313 30.718 21.359 1.00 70.05 C +ATOM 497 OH TYR A 64 -5.589 31.852 20.614 1.00 70.67 O +ATOM 498 N SER A 65 -5.095 24.590 24.997 1.00 58.67 N +ATOM 499 CA SER A 65 -5.617 23.230 25.127 1.00 56.93 C +ATOM 500 C SER A 65 -6.614 22.757 24.063 1.00 55.33 C +ATOM 501 O SER A 65 -6.321 22.936 22.876 1.00 54.74 O +ATOM 502 CB SER A 65 -6.190 23.122 26.552 1.00 57.99 C +ATOM 503 OG SER A 65 -7.251 24.011 26.900 1.00 59.80 O +ATOM 504 N ALA A 66 -7.762 22.119 24.359 1.00 52.33 N +ATOM 505 CA ALA A 66 -8.766 21.824 23.335 1.00 48.80 C +ATOM 506 C ALA A 66 -9.138 23.050 22.492 1.00 45.71 C +ATOM 507 O ALA A 66 -9.751 22.862 21.449 1.00 44.33 O +ATOM 508 CB ALA A 66 -10.043 21.300 23.971 1.00 49.14 C +ATOM 509 N MET A 67 -8.829 24.310 22.875 1.00 42.85 N +ATOM 510 CA MET A 67 -8.984 25.465 21.967 1.00 40.01 C +ATOM 511 C MET A 67 -8.093 25.362 20.719 1.00 36.79 C +ATOM 512 O MET A 67 -8.221 26.184 19.805 1.00 36.08 O +ATOM 513 CB MET A 67 -8.594 26.804 22.581 1.00 42.50 C +ATOM 514 CG MET A 67 -9.359 27.330 23.772 1.00 45.93 C +ATOM 515 SD MET A 67 -11.140 27.396 23.483 1.00 48.74 S +ATOM 516 CE MET A 67 -11.526 25.880 24.321 1.00 47.64 C +ATOM 517 N ARG A 68 -7.128 24.418 20.665 1.00 31.59 N +ATOM 518 CA ARG A 68 -6.322 24.217 19.467 1.00 26.34 C +ATOM 519 C ARG A 68 -7.140 23.473 18.424 1.00 23.68 C +ATOM 520 O ARG A 68 -6.846 23.617 17.231 1.00 21.93 O +ATOM 521 CB ARG A 68 -5.057 23.394 19.745 1.00 25.86 C +ATOM 522 CG ARG A 68 -4.161 23.898 20.869 1.00 29.36 C +ATOM 523 CD ARG A 68 -2.881 23.061 20.998 1.00 32.88 C +ATOM 524 NE ARG A 68 -2.221 22.990 22.315 1.00 36.64 N +ATOM 525 CZ ARG A 68 -1.700 24.031 23.001 1.00 39.66 C +ATOM 526 NH1 ARG A 68 -1.903 25.315 22.664 1.00 42.06 N +ATOM 527 NH2 ARG A 68 -0.933 23.798 24.071 1.00 39.61 N +ATOM 528 N ASP A 69 -8.188 22.721 18.793 1.00 19.14 N +ATOM 529 CA ASP A 69 -8.880 21.905 17.822 1.00 20.43 C +ATOM 530 C ASP A 69 -9.437 22.623 16.617 1.00 22.16 C +ATOM 531 O ASP A 69 -9.453 22.109 15.488 1.00 19.58 O +ATOM 532 CB ASP A 69 -10.025 21.148 18.478 1.00 20.58 C +ATOM 533 CG ASP A 69 -9.598 19.935 19.303 1.00 22.81 C +ATOM 534 OD1 ASP A 69 -8.409 19.708 19.538 1.00 24.59 O +ATOM 535 OD2 ASP A 69 -10.475 19.176 19.715 1.00 25.28 O +ATOM 536 N GLN A 70 -9.834 23.874 16.840 1.00 23.26 N +ATOM 537 CA GLN A 70 -10.451 24.609 15.759 1.00 23.53 C +ATOM 538 C GLN A 70 -9.437 24.925 14.667 1.00 21.20 C +ATOM 539 O GLN A 70 -9.653 24.591 13.493 1.00 20.90 O +ATOM 540 CB GLN A 70 -11.071 25.881 16.341 1.00 27.73 C +ATOM 541 CG GLN A 70 -12.498 26.019 15.832 1.00 34.11 C +ATOM 542 CD GLN A 70 -13.103 27.407 16.008 1.00 37.87 C +ATOM 543 OE1 GLN A 70 -12.532 28.284 16.672 1.00 39.77 O +ATOM 544 NE2 GLN A 70 -14.283 27.620 15.406 1.00 37.89 N +ATOM 545 N TYR A 71 -8.292 25.515 15.050 1.00 19.09 N +ATOM 546 CA TYR A 71 -7.329 25.873 14.030 1.00 17.69 C +ATOM 547 C TYR A 71 -6.648 24.658 13.416 1.00 17.24 C +ATOM 548 O TYR A 71 -6.247 24.675 12.245 1.00 17.25 O +ATOM 549 CB TYR A 71 -6.302 26.868 14.625 1.00 17.87 C +ATOM 550 CG TYR A 71 -5.311 26.480 15.725 1.00 18.90 C +ATOM 551 CD1 TYR A 71 -4.355 25.510 15.492 1.00 19.74 C +ATOM 552 CD2 TYR A 71 -5.328 27.162 16.940 1.00 19.21 C +ATOM 553 CE1 TYR A 71 -3.402 25.212 16.450 1.00 20.38 C +ATOM 554 CE2 TYR A 71 -4.375 26.868 17.901 1.00 21.93 C +ATOM 555 CZ TYR A 71 -3.422 25.897 17.645 1.00 21.91 C +ATOM 556 OH TYR A 71 -2.463 25.590 18.588 1.00 26.44 O +ATOM 557 N MET A 72 -6.557 23.559 14.166 1.00 14.81 N +ATOM 558 CA MET A 72 -5.958 22.393 13.563 1.00 18.59 C +ATOM 559 C MET A 72 -6.849 21.778 12.472 1.00 19.38 C +ATOM 560 O MET A 72 -6.385 21.198 11.492 1.00 17.67 O +ATOM 561 CB MET A 72 -5.658 21.386 14.669 1.00 17.39 C +ATOM 562 CG MET A 72 -4.479 21.796 15.514 1.00 16.35 C +ATOM 563 SD MET A 72 -4.146 20.600 16.820 1.00 17.04 S +ATOM 564 CE MET A 72 -2.635 21.259 17.460 1.00 17.72 C +ATOM 565 N ARG A 73 -8.174 21.931 12.626 1.00 20.31 N +ATOM 566 CA ARG A 73 -9.120 21.350 11.701 1.00 22.24 C +ATOM 567 C ARG A 73 -9.087 22.084 10.370 1.00 20.94 C +ATOM 568 O ARG A 73 -9.183 21.450 9.326 1.00 20.81 O +ATOM 569 CB ARG A 73 -10.499 21.414 12.369 1.00 25.29 C +ATOM 570 CG ARG A 73 -11.553 20.499 11.767 1.00 30.04 C +ATOM 571 CD ARG A 73 -12.775 20.429 12.687 1.00 31.86 C +ATOM 572 NE ARG A 73 -12.483 19.702 13.917 1.00 34.70 N +ATOM 573 CZ ARG A 73 -12.894 20.122 15.130 1.00 36.49 C +ATOM 574 NH1 ARG A 73 -12.579 19.402 16.196 1.00 36.93 N +ATOM 575 NH2 ARG A 73 -13.609 21.239 15.311 1.00 38.17 N +ATOM 576 N THR A 74 -8.868 23.401 10.413 1.00 21.33 N +ATOM 577 CA THR A 74 -8.813 24.240 9.219 1.00 24.99 C +ATOM 578 C THR A 74 -7.436 24.351 8.544 1.00 23.10 C +ATOM 579 O THR A 74 -7.367 24.738 7.371 1.00 22.59 O +ATOM 580 CB THR A 74 -9.289 25.676 9.538 1.00 25.73 C +ATOM 581 OG1 THR A 74 -8.351 26.302 10.409 1.00 31.08 O +ATOM 582 CG2 THR A 74 -10.657 25.644 10.201 1.00 27.58 C +ATOM 583 N GLY A 75 -6.345 24.084 9.289 1.00 19.58 N +ATOM 584 CA GLY A 75 -5.013 24.114 8.730 1.00 15.79 C +ATOM 585 C GLY A 75 -4.823 23.023 7.713 1.00 13.66 C +ATOM 586 O GLY A 75 -5.245 21.880 7.884 1.00 14.69 O +ATOM 587 N GLU A 76 -4.228 23.360 6.573 1.00 13.14 N +ATOM 588 CA GLU A 76 -3.914 22.363 5.546 1.00 12.99 C +ATOM 589 C GLU A 76 -2.514 21.740 5.753 1.00 12.22 C +ATOM 590 O GLU A 76 -2.293 20.576 5.426 1.00 13.59 O +ATOM 591 CB GLU A 76 -3.999 23.014 4.145 1.00 13.07 C +ATOM 592 CG GLU A 76 -5.387 23.377 3.676 1.00 14.35 C +ATOM 593 CD GLU A 76 -5.261 24.069 2.323 1.00 20.40 C +ATOM 594 OE1 GLU A 76 -5.461 23.403 1.288 1.00 24.32 O +ATOM 595 OE2 GLU A 76 -4.913 25.250 2.284 1.00 18.82 O +ATOM 596 N GLY A 77 -1.553 22.503 6.301 1.00 10.73 N +ATOM 597 CA GLY A 77 -0.216 22.018 6.570 1.00 8.07 C +ATOM 598 C GLY A 77 0.302 22.689 7.819 1.00 8.63 C +ATOM 599 O GLY A 77 -0.066 23.823 8.127 1.00 8.55 O +ATOM 600 N PHE A 78 1.248 22.013 8.479 1.00 9.15 N +ATOM 601 CA PHE A 78 1.754 22.468 9.773 1.00 8.87 C +ATOM 602 C PHE A 78 3.268 22.520 9.854 1.00 9.51 C +ATOM 603 O PHE A 78 3.930 21.542 9.486 1.00 9.15 O +ATOM 604 CB PHE A 78 1.247 21.532 10.904 1.00 9.44 C +ATOM 605 CG PHE A 78 -0.267 21.472 11.000 1.00 9.66 C +ATOM 606 CD1 PHE A 78 -0.906 22.310 11.901 1.00 10.71 C +ATOM 607 CD2 PHE A 78 -0.994 20.645 10.152 1.00 10.20 C +ATOM 608 CE1 PHE A 78 -2.295 22.338 11.940 1.00 10.61 C +ATOM 609 CE2 PHE A 78 -2.378 20.678 10.192 1.00 12.55 C +ATOM 610 CZ PHE A 78 -3.022 21.529 11.081 1.00 12.80 C +ATOM 611 N LEU A 79 3.813 23.636 10.354 1.00 8.72 N +ATOM 612 CA LEU A 79 5.230 23.626 10.699 1.00 9.93 C +ATOM 613 C LEU A 79 5.279 23.281 12.181 1.00 9.09 C +ATOM 614 O LEU A 79 4.701 24.008 12.988 1.00 11.58 O +ATOM 615 CB LEU A 79 5.921 24.970 10.567 1.00 12.80 C +ATOM 616 CG LEU A 79 6.155 25.659 9.249 1.00 16.39 C +ATOM 617 CD1 LEU A 79 7.007 26.911 9.544 1.00 17.02 C +ATOM 618 CD2 LEU A 79 6.904 24.756 8.269 1.00 16.98 C +ATOM 619 N CYS A 80 5.950 22.219 12.579 1.00 9.14 N +ATOM 620 CA CYS A 80 6.074 21.821 13.981 1.00 11.81 C +ATOM 621 C CYS A 80 7.448 22.237 14.434 1.00 11.53 C +ATOM 622 O CYS A 80 8.435 21.640 14.000 1.00 12.21 O +ATOM 623 CB CYS A 80 5.903 20.318 14.106 1.00 13.73 C +ATOM 624 SG CYS A 80 4.158 19.900 13.837 1.00 18.26 S +ATOM 625 N VAL A 81 7.486 23.282 15.269 1.00 7.57 N +ATOM 626 CA VAL A 81 8.730 23.956 15.604 1.00 8.45 C +ATOM 627 C VAL A 81 9.248 23.620 16.996 1.00 8.90 C +ATOM 628 O VAL A 81 8.451 23.680 17.939 1.00 8.49 O +ATOM 629 CB VAL A 81 8.544 25.516 15.507 1.00 7.40 C +ATOM 630 CG1 VAL A 81 9.917 26.196 15.588 1.00 9.42 C +ATOM 631 CG2 VAL A 81 8.004 25.954 14.167 1.00 8.59 C +ATOM 632 N PHE A 82 10.546 23.237 17.119 1.00 9.49 N +ATOM 633 CA PHE A 82 11.195 23.202 18.442 1.00 9.09 C +ATOM 634 C PHE A 82 12.511 23.994 18.350 1.00 9.83 C +ATOM 635 O PHE A 82 12.914 24.440 17.266 1.00 9.02 O +ATOM 636 CB PHE A 82 11.482 21.755 18.902 1.00 9.76 C +ATOM 637 CG PHE A 82 12.536 21.062 18.071 1.00 10.09 C +ATOM 638 CD1 PHE A 82 13.867 21.099 18.486 1.00 10.70 C +ATOM 639 CD2 PHE A 82 12.192 20.412 16.889 1.00 10.93 C +ATOM 640 CE1 PHE A 82 14.838 20.483 17.699 1.00 11.12 C +ATOM 641 CE2 PHE A 82 13.181 19.807 16.125 1.00 10.73 C +ATOM 642 CZ PHE A 82 14.505 19.839 16.523 1.00 10.35 C +ATOM 643 N ALA A 83 13.128 24.269 19.516 1.00 9.75 N +ATOM 644 CA ALA A 83 14.407 24.963 19.569 1.00 10.32 C +ATOM 645 C ALA A 83 15.509 23.960 19.916 1.00 9.48 C +ATOM 646 O ALA A 83 15.362 23.142 20.839 1.00 9.61 O +ATOM 647 CB ALA A 83 14.354 26.083 20.620 1.00 9.75 C +ATOM 648 N ILE A 84 16.624 24.042 19.160 1.00 11.41 N +ATOM 649 CA ILE A 84 17.714 23.070 19.299 1.00 13.15 C +ATOM 650 C ILE A 84 18.446 23.223 20.623 1.00 14.57 C +ATOM 651 O ILE A 84 19.234 22.347 20.971 1.00 13.94 O +ATOM 652 CB ILE A 84 18.775 23.151 18.160 1.00 13.29 C +ATOM 653 CG1 ILE A 84 19.403 24.509 17.878 1.00 14.90 C +ATOM 654 CG2 ILE A 84 18.018 22.701 16.933 1.00 13.09 C +ATOM 655 CD1 ILE A 84 20.578 24.957 18.763 1.00 17.59 C +ATOM 656 N ASN A 85 18.200 24.290 21.390 1.00 13.61 N +ATOM 657 CA ASN A 85 18.794 24.394 22.720 1.00 15.52 C +ATOM 658 C ASN A 85 17.758 24.156 23.828 1.00 15.49 C +ATOM 659 O ASN A 85 17.988 24.519 24.999 1.00 16.13 O +ATOM 660 CB ASN A 85 19.446 25.788 22.885 1.00 15.16 C +ATOM 661 CG ASN A 85 18.464 26.946 22.904 1.00 16.42 C +ATOM 662 OD1 ASN A 85 17.355 26.878 22.362 1.00 16.01 O +ATOM 663 ND2 ASN A 85 18.808 28.030 23.587 1.00 16.83 N +ATOM 664 N ASN A 86 16.616 23.515 23.509 1.00 14.72 N +ATOM 665 CA ASN A 86 15.553 23.303 24.483 1.00 13.01 C +ATOM 666 C ASN A 86 14.987 21.901 24.309 1.00 13.17 C +ATOM 667 O ASN A 86 14.080 21.668 23.520 1.00 13.04 O +ATOM 668 CB ASN A 86 14.478 24.367 24.256 1.00 16.51 C +ATOM 669 CG ASN A 86 13.267 24.415 25.187 1.00 20.74 C +ATOM 670 OD1 ASN A 86 12.370 25.241 25.018 1.00 25.41 O +ATOM 671 ND2 ASN A 86 13.123 23.596 26.206 1.00 19.96 N +ATOM 672 N THR A 87 15.488 20.950 25.103 1.00 13.80 N +ATOM 673 CA THR A 87 15.095 19.553 25.026 1.00 15.40 C +ATOM 674 C THR A 87 13.589 19.316 25.266 1.00 14.40 C +ATOM 675 O THR A 87 12.953 18.535 24.546 1.00 14.11 O +ATOM 676 CB THR A 87 15.983 18.791 26.046 1.00 16.19 C +ATOM 677 OG1 THR A 87 17.325 18.908 25.571 1.00 18.22 O +ATOM 678 CG2 THR A 87 15.626 17.327 26.180 1.00 17.82 C +ATOM 679 N LYS A 88 12.983 19.958 26.272 1.00 14.42 N +ATOM 680 CA LYS A 88 11.552 19.842 26.535 1.00 15.84 C +ATOM 681 C LYS A 88 10.726 20.232 25.278 1.00 15.06 C +ATOM 682 O LYS A 88 9.722 19.582 25.003 1.00 14.61 O +ATOM 683 CB LYS A 88 11.207 20.766 27.717 1.00 19.53 C +ATOM 684 CG LYS A 88 9.937 20.401 28.457 1.00 27.71 C +ATOM 685 CD LYS A 88 9.585 21.452 29.529 1.00 33.26 C +ATOM 686 CE LYS A 88 9.061 22.762 28.877 1.00 36.79 C +ATOM 687 NZ LYS A 88 8.642 23.763 29.852 1.00 37.29 N +ATOM 688 N SER A 89 11.119 21.259 24.475 1.00 12.36 N +ATOM 689 CA SER A 89 10.325 21.666 23.309 1.00 11.31 C +ATOM 690 C SER A 89 10.371 20.572 22.268 1.00 12.51 C +ATOM 691 O SER A 89 9.397 20.388 21.547 1.00 12.88 O +ATOM 692 CB SER A 89 10.844 22.951 22.674 1.00 11.64 C +ATOM 693 OG SER A 89 12.160 22.900 22.124 1.00 11.11 O +ATOM 694 N PHE A 90 11.504 19.842 22.204 1.00 11.27 N +ATOM 695 CA PHE A 90 11.680 18.751 21.262 1.00 12.91 C +ATOM 696 C PHE A 90 10.760 17.601 21.667 1.00 14.37 C +ATOM 697 O PHE A 90 10.034 17.057 20.839 1.00 13.24 O +ATOM 698 CB PHE A 90 13.161 18.312 21.260 1.00 12.34 C +ATOM 699 CG PHE A 90 13.411 17.120 20.351 1.00 14.41 C +ATOM 700 CD1 PHE A 90 13.890 15.948 20.903 1.00 15.10 C +ATOM 701 CD2 PHE A 90 13.136 17.206 18.990 1.00 14.81 C +ATOM 702 CE1 PHE A 90 14.093 14.857 20.088 1.00 16.20 C +ATOM 703 CE2 PHE A 90 13.340 16.110 18.179 1.00 14.81 C +ATOM 704 CZ PHE A 90 13.818 14.935 18.731 1.00 15.39 C +ATOM 705 N GLU A 91 10.725 17.231 22.949 1.00 14.40 N +ATOM 706 CA GLU A 91 9.863 16.146 23.407 1.00 15.78 C +ATOM 707 C GLU A 91 8.374 16.466 23.301 1.00 16.18 C +ATOM 708 O GLU A 91 7.533 15.582 23.114 1.00 17.50 O +ATOM 709 CB GLU A 91 10.226 15.846 24.835 1.00 19.84 C +ATOM 710 CG GLU A 91 11.654 15.386 25.074 1.00 24.49 C +ATOM 711 CD GLU A 91 12.090 15.310 26.537 1.00 27.97 C +ATOM 712 OE1 GLU A 91 13.199 14.842 26.766 1.00 30.72 O +ATOM 713 OE2 GLU A 91 11.371 15.730 27.449 1.00 30.38 O +ATOM 714 N ASP A 92 8.019 17.747 23.433 1.00 16.19 N +ATOM 715 CA ASP A 92 6.650 18.216 23.265 1.00 15.23 C +ATOM 716 C ASP A 92 6.141 18.053 21.839 1.00 14.29 C +ATOM 717 O ASP A 92 4.927 18.074 21.633 1.00 14.78 O +ATOM 718 CB ASP A 92 6.536 19.708 23.646 1.00 17.85 C +ATOM 719 CG ASP A 92 6.706 20.080 25.127 1.00 21.39 C +ATOM 720 OD1 ASP A 92 6.648 19.209 25.997 1.00 20.06 O +ATOM 721 OD2 ASP A 92 6.887 21.272 25.401 1.00 24.39 O +ATOM 722 N ILE A 93 7.013 17.910 20.826 1.00 11.76 N +ATOM 723 CA ILE A 93 6.559 17.749 19.452 1.00 14.77 C +ATOM 724 C ILE A 93 5.574 16.583 19.354 1.00 14.03 C +ATOM 725 O ILE A 93 4.576 16.695 18.644 1.00 14.93 O +ATOM 726 CB ILE A 93 7.790 17.499 18.485 1.00 14.96 C +ATOM 727 CG1 ILE A 93 8.506 18.830 18.293 1.00 15.41 C +ATOM 728 CG2 ILE A 93 7.369 16.936 17.091 1.00 14.61 C +ATOM 729 CD1 ILE A 93 7.654 19.940 17.637 1.00 20.05 C +ATOM 730 N HIS A 94 5.806 15.471 20.049 1.00 15.23 N +ATOM 731 CA HIS A 94 4.940 14.302 19.956 1.00 18.20 C +ATOM 732 C HIS A 94 3.494 14.635 20.287 1.00 16.36 C +ATOM 733 O HIS A 94 2.576 14.183 19.598 1.00 17.20 O +ATOM 734 CB HIS A 94 5.436 13.194 20.900 1.00 23.57 C +ATOM 735 CG HIS A 94 4.685 11.874 20.678 1.00 29.09 C +ATOM 736 ND1 HIS A 94 4.923 11.118 19.602 1.00 31.26 N +ATOM 737 CD2 HIS A 94 3.705 11.361 21.498 1.00 30.93 C +ATOM 738 CE1 HIS A 94 4.078 10.110 19.746 1.00 31.74 C +ATOM 739 NE2 HIS A 94 3.366 10.260 20.861 1.00 32.20 N +ATOM 740 N GLN A 95 3.271 15.499 21.281 1.00 16.91 N +ATOM 741 CA GLN A 95 1.916 15.878 21.673 1.00 18.66 C +ATOM 742 C GLN A 95 1.226 16.736 20.625 1.00 16.97 C +ATOM 743 O GLN A 95 0.012 16.562 20.443 1.00 15.36 O +ATOM 744 CB GLN A 95 1.928 16.626 23.018 1.00 21.56 C +ATOM 745 CG GLN A 95 2.457 15.766 24.180 1.00 29.81 C +ATOM 746 CD GLN A 95 3.370 16.540 25.150 1.00 35.29 C +ATOM 747 OE1 GLN A 95 3.037 17.647 25.593 1.00 37.94 O +ATOM 748 NE2 GLN A 95 4.546 16.006 25.521 1.00 37.04 N +ATOM 749 N TYR A 96 1.930 17.653 19.921 1.00 16.06 N +ATOM 750 CA TYR A 96 1.276 18.417 18.826 1.00 16.07 C +ATOM 751 C TYR A 96 0.963 17.504 17.658 1.00 14.44 C +ATOM 752 O TYR A 96 -0.138 17.565 17.118 1.00 15.79 O +ATOM 753 CB TYR A 96 2.139 19.554 18.264 1.00 17.94 C +ATOM 754 CG TYR A 96 2.287 20.677 19.277 1.00 19.19 C +ATOM 755 CD1 TYR A 96 1.368 21.699 19.338 1.00 19.33 C +ATOM 756 CD2 TYR A 96 3.348 20.631 20.161 1.00 19.61 C +ATOM 757 CE1 TYR A 96 1.526 22.678 20.308 1.00 21.72 C +ATOM 758 CE2 TYR A 96 3.512 21.595 21.129 1.00 21.72 C +ATOM 759 CZ TYR A 96 2.594 22.613 21.190 1.00 21.26 C +ATOM 760 OH TYR A 96 2.776 23.582 22.153 1.00 24.09 O +ATOM 761 N ARG A 97 1.904 16.635 17.295 1.00 13.30 N +ATOM 762 CA ARG A 97 1.699 15.650 16.247 1.00 15.46 C +ATOM 763 C ARG A 97 0.457 14.794 16.492 1.00 14.26 C +ATOM 764 O ARG A 97 -0.420 14.676 15.641 1.00 14.10 O +ATOM 765 CB ARG A 97 2.939 14.796 16.196 1.00 17.97 C +ATOM 766 CG ARG A 97 2.886 13.541 15.357 1.00 23.35 C +ATOM 767 CD ARG A 97 3.333 13.765 13.943 1.00 23.59 C +ATOM 768 NE ARG A 97 3.314 12.471 13.314 1.00 24.08 N +ATOM 769 CZ ARG A 97 3.268 12.320 12.007 1.00 25.74 C +ATOM 770 NH1 ARG A 97 3.135 11.073 11.548 1.00 26.76 N +ATOM 771 NH2 ARG A 97 3.353 13.380 11.181 1.00 26.95 N +ATOM 772 N GLU A 98 0.332 14.218 17.678 1.00 13.69 N +ATOM 773 CA GLU A 98 -0.807 13.361 17.941 1.00 16.64 C +ATOM 774 C GLU A 98 -2.118 14.108 17.983 1.00 15.57 C +ATOM 775 O GLU A 98 -3.157 13.573 17.607 1.00 15.85 O +ATOM 776 CB GLU A 98 -0.593 12.623 19.260 1.00 21.96 C +ATOM 777 CG GLU A 98 0.417 11.455 19.177 1.00 28.02 C +ATOM 778 CD GLU A 98 0.147 10.460 18.038 1.00 31.04 C +ATOM 779 OE1 GLU A 98 1.118 10.123 17.373 1.00 33.58 O +ATOM 780 OE2 GLU A 98 -0.992 10.025 17.790 1.00 33.61 O +ATOM 781 N GLN A 99 -2.105 15.362 18.446 1.00 14.66 N +ATOM 782 CA GLN A 99 -3.343 16.104 18.468 1.00 13.22 C +ATOM 783 C GLN A 99 -3.779 16.398 17.049 1.00 12.15 C +ATOM 784 O GLN A 99 -4.974 16.274 16.791 1.00 14.09 O +ATOM 785 CB GLN A 99 -3.158 17.403 19.250 1.00 16.29 C +ATOM 786 CG GLN A 99 -4.513 18.118 19.407 1.00 19.67 C +ATOM 787 CD GLN A 99 -4.517 19.240 20.438 1.00 22.19 C +ATOM 788 OE1 GLN A 99 -3.537 19.485 21.138 1.00 23.70 O +ATOM 789 NE2 GLN A 99 -5.628 19.961 20.537 1.00 22.72 N +ATOM 790 N ILE A 100 -2.861 16.795 16.142 1.00 11.42 N +ATOM 791 CA ILE A 100 -3.197 17.121 14.743 1.00 10.81 C +ATOM 792 C ILE A 100 -3.761 15.893 14.008 1.00 12.39 C +ATOM 793 O ILE A 100 -4.733 15.967 13.243 1.00 12.70 O +ATOM 794 CB ILE A 100 -1.924 17.659 14.038 1.00 10.32 C +ATOM 795 CG1 ILE A 100 -1.642 19.075 14.518 1.00 10.37 C +ATOM 796 CG2 ILE A 100 -2.131 17.685 12.512 1.00 11.36 C +ATOM 797 CD1 ILE A 100 -0.184 19.481 14.392 1.00 10.69 C +ATOM 798 N LYS A 101 -3.143 14.732 14.255 1.00 14.08 N +ATOM 799 CA LYS A 101 -3.613 13.487 13.637 1.00 15.95 C +ATOM 800 C LYS A 101 -5.021 13.150 14.079 1.00 15.72 C +ATOM 801 O LYS A 101 -5.848 12.770 13.262 1.00 14.25 O +ATOM 802 CB LYS A 101 -2.681 12.317 13.996 1.00 17.44 C +ATOM 803 CG LYS A 101 -1.414 12.284 13.115 1.00 19.24 C +ATOM 804 CD LYS A 101 -0.332 11.418 13.764 1.00 23.28 C +ATOM 805 CE LYS A 101 -0.752 10.000 14.188 1.00 23.82 C +ATOM 806 NZ LYS A 101 0.400 9.230 14.662 1.00 24.00 N +ATOM 807 N ARG A 102 -5.278 13.341 15.377 1.00 16.72 N +ATOM 808 CA ARG A 102 -6.586 13.098 15.962 1.00 18.74 C +ATOM 809 C ARG A 102 -7.643 14.087 15.440 1.00 19.07 C +ATOM 810 O ARG A 102 -8.712 13.628 15.002 1.00 20.67 O +ATOM 811 CB ARG A 102 -6.457 13.197 17.462 1.00 20.62 C +ATOM 812 CG ARG A 102 -7.539 12.409 18.132 1.00 26.89 C +ATOM 813 CD ARG A 102 -7.610 12.887 19.585 1.00 30.60 C +ATOM 814 NE ARG A 102 -8.197 14.224 19.645 1.00 35.83 N +ATOM 815 CZ ARG A 102 -7.633 15.255 20.301 1.00 37.61 C +ATOM 816 NH1 ARG A 102 -8.243 16.455 20.267 1.00 38.37 N +ATOM 817 NH2 ARG A 102 -6.481 15.110 20.983 1.00 38.39 N +ATOM 818 N VAL A 103 -7.418 15.407 15.395 1.00 15.59 N +ATOM 819 CA VAL A 103 -8.452 16.326 14.881 1.00 18.48 C +ATOM 820 C VAL A 103 -8.665 16.200 13.349 1.00 16.72 C +ATOM 821 O VAL A 103 -9.776 16.383 12.848 1.00 15.90 O +ATOM 822 CB VAL A 103 -8.131 17.840 15.215 1.00 20.10 C +ATOM 823 CG1 VAL A 103 -7.896 18.005 16.704 1.00 21.34 C +ATOM 824 CG2 VAL A 103 -6.899 18.302 14.512 1.00 23.93 C +ATOM 825 N LYS A 104 -7.622 15.902 12.574 1.00 13.84 N +ATOM 826 CA LYS A 104 -7.804 15.755 11.140 1.00 16.11 C +ATOM 827 C LYS A 104 -8.158 14.329 10.716 1.00 16.70 C +ATOM 828 O LYS A 104 -8.260 14.079 9.508 1.00 17.27 O +ATOM 829 CB LYS A 104 -6.525 16.215 10.404 1.00 18.12 C +ATOM 830 CG LYS A 104 -6.197 17.678 10.744 1.00 19.53 C +ATOM 831 CD LYS A 104 -5.250 18.297 9.736 1.00 21.28 C +ATOM 832 CE LYS A 104 -5.921 18.590 8.390 1.00 20.75 C +ATOM 833 NZ LYS A 104 -6.875 19.673 8.462 1.00 19.79 N +ATOM 834 N ASP A 105 -8.372 13.390 11.669 1.00 15.91 N +ATOM 835 CA ASP A 105 -8.666 11.988 11.359 1.00 15.43 C +ATOM 836 C ASP A 105 -7.705 11.372 10.333 1.00 16.04 C +ATOM 837 O ASP A 105 -8.106 10.654 9.415 1.00 15.38 O +ATOM 838 CB ASP A 105 -10.077 11.847 10.810 1.00 18.74 C +ATOM 839 CG ASP A 105 -11.261 12.121 11.696 1.00 21.15 C +ATOM 840 OD1 ASP A 105 -11.183 11.972 12.918 1.00 21.36 O +ATOM 841 OD2 ASP A 105 -12.281 12.480 11.113 1.00 22.63 O +ATOM 842 N SER A 106 -6.397 11.591 10.469 1.00 15.54 N +ATOM 843 CA SER A 106 -5.470 11.174 9.442 1.00 17.25 C +ATOM 844 C SER A 106 -4.112 10.882 10.011 1.00 17.31 C +ATOM 845 O SER A 106 -3.650 11.556 10.916 1.00 19.11 O +ATOM 846 CB SER A 106 -5.463 12.314 8.398 1.00 19.27 C +ATOM 847 OG SER A 106 -4.326 12.490 7.573 1.00 24.20 O +ATOM 848 N ASP A 107 -3.454 9.891 9.453 1.00 17.29 N +ATOM 849 CA ASP A 107 -2.109 9.557 9.868 1.00 19.80 C +ATOM 850 C ASP A 107 -1.000 10.220 9.063 1.00 20.36 C +ATOM 851 O ASP A 107 0.197 10.118 9.345 1.00 21.26 O +ATOM 852 CB ASP A 107 -1.970 8.045 9.810 1.00 23.15 C +ATOM 853 CG ASP A 107 -2.863 7.310 10.807 1.00 25.12 C +ATOM 854 OD1 ASP A 107 -3.262 6.206 10.462 1.00 29.21 O +ATOM 855 OD2 ASP A 107 -3.127 7.812 11.903 1.00 26.59 O +ATOM 856 N ASP A 108 -1.383 10.909 8.005 1.00 20.57 N +ATOM 857 CA ASP A 108 -0.430 11.664 7.216 1.00 22.38 C +ATOM 858 C ASP A 108 -1.061 12.982 6.842 1.00 21.37 C +ATOM 859 O ASP A 108 -1.973 13.096 6.030 1.00 24.36 O +ATOM 860 CB ASP A 108 -0.056 10.900 5.967 1.00 27.28 C +ATOM 861 CG ASP A 108 -1.263 10.278 5.320 1.00 32.24 C +ATOM 862 OD1 ASP A 108 -1.714 9.272 5.877 1.00 37.07 O +ATOM 863 OD2 ASP A 108 -1.747 10.790 4.301 1.00 36.33 O +ATOM 864 N VAL A 109 -0.598 13.970 7.572 1.00 19.33 N +ATOM 865 CA VAL A 109 -1.009 15.354 7.400 1.00 17.49 C +ATOM 866 C VAL A 109 0.215 16.086 6.819 1.00 14.55 C +ATOM 867 O VAL A 109 1.335 15.772 7.245 1.00 13.64 O +ATOM 868 CB VAL A 109 -1.410 15.870 8.784 1.00 18.40 C +ATOM 869 CG1 VAL A 109 -1.645 17.366 8.765 1.00 20.21 C +ATOM 870 CG2 VAL A 109 -2.676 15.101 9.214 1.00 20.27 C +ATOM 871 N PRO A 110 0.141 17.001 5.825 1.00 12.41 N +ATOM 872 CA PRO A 110 1.297 17.783 5.384 1.00 11.52 C +ATOM 873 C PRO A 110 1.920 18.480 6.605 1.00 11.79 C +ATOM 874 O PRO A 110 1.289 19.245 7.324 1.00 9.55 O +ATOM 875 CB PRO A 110 0.728 18.721 4.370 1.00 11.31 C +ATOM 876 CG PRO A 110 -0.410 17.926 3.779 1.00 11.38 C +ATOM 877 CD PRO A 110 -1.044 17.309 5.020 1.00 12.05 C +ATOM 878 N MET A 111 3.192 18.201 6.874 1.00 11.92 N +ATOM 879 CA MET A 111 3.878 18.724 8.050 1.00 11.49 C +ATOM 880 C MET A 111 5.379 18.749 7.807 1.00 11.68 C +ATOM 881 O MET A 111 5.903 17.900 7.098 1.00 11.11 O +ATOM 882 CB MET A 111 3.494 17.806 9.211 1.00 14.36 C +ATOM 883 CG MET A 111 3.864 18.110 10.627 1.00 17.41 C +ATOM 884 SD MET A 111 3.231 16.825 11.758 1.00 18.36 S +ATOM 885 CE MET A 111 1.528 17.128 11.498 1.00 17.25 C +ATOM 886 N VAL A 112 6.091 19.706 8.404 1.00 10.73 N +ATOM 887 CA VAL A 112 7.545 19.763 8.348 1.00 10.18 C +ATOM 888 C VAL A 112 7.992 19.875 9.794 1.00 9.11 C +ATOM 889 O VAL A 112 7.404 20.633 10.556 1.00 10.77 O +ATOM 890 CB VAL A 112 8.010 21.024 7.542 1.00 11.80 C +ATOM 891 CG1 VAL A 112 9.528 21.213 7.558 1.00 13.24 C +ATOM 892 CG2 VAL A 112 7.542 20.843 6.104 1.00 14.56 C +ATOM 893 N LEU A 113 9.032 19.167 10.207 1.00 8.47 N +ATOM 894 CA LEU A 113 9.632 19.332 11.535 1.00 9.53 C +ATOM 895 C LEU A 113 10.738 20.384 11.412 1.00 9.33 C +ATOM 896 O LEU A 113 11.621 20.270 10.555 1.00 9.95 O +ATOM 897 CB LEU A 113 10.214 17.983 12.017 1.00 9.56 C +ATOM 898 CG LEU A 113 10.863 17.976 13.381 1.00 11.58 C +ATOM 899 CD1 LEU A 113 9.908 18.379 14.503 1.00 13.17 C +ATOM 900 CD2 LEU A 113 11.361 16.564 13.597 1.00 12.84 C +ATOM 901 N VAL A 114 10.705 21.442 12.221 1.00 7.62 N +ATOM 902 CA VAL A 114 11.673 22.541 12.109 1.00 7.64 C +ATOM 903 C VAL A 114 12.436 22.667 13.441 1.00 7.65 C +ATOM 904 O VAL A 114 11.872 22.842 14.541 1.00 9.71 O +ATOM 905 CB VAL A 114 10.896 23.836 11.774 1.00 9.37 C +ATOM 906 CG1 VAL A 114 11.814 25.030 11.869 1.00 10.27 C +ATOM 907 CG2 VAL A 114 10.254 23.719 10.393 1.00 9.64 C +ATOM 908 N GLY A 115 13.745 22.567 13.331 1.00 6.10 N +ATOM 909 CA GLY A 115 14.603 22.742 14.476 1.00 6.69 C +ATOM 910 C GLY A 115 15.120 24.163 14.407 1.00 8.47 C +ATOM 911 O GLY A 115 16.007 24.439 13.594 1.00 9.16 O +ATOM 912 N ASN A 116 14.593 25.089 15.192 1.00 8.01 N +ATOM 913 CA ASN A 116 15.007 26.475 15.111 1.00 8.24 C +ATOM 914 C ASN A 116 16.112 26.873 16.109 1.00 9.61 C +ATOM 915 O ASN A 116 16.453 26.142 17.051 1.00 9.84 O +ATOM 916 CB ASN A 116 13.721 27.307 15.275 1.00 8.01 C +ATOM 917 CG ASN A 116 13.929 28.788 14.992 1.00 9.48 C +ATOM 918 OD1 ASN A 116 14.470 29.205 13.972 1.00 9.94 O +ATOM 919 ND2 ASN A 116 13.565 29.644 15.940 1.00 10.75 N +ATOM 920 N LYS A 117 16.660 28.087 15.876 1.00 10.22 N +ATOM 921 CA LYS A 117 17.735 28.715 16.674 1.00 12.36 C +ATOM 922 C LYS A 117 19.094 28.021 16.450 1.00 13.39 C +ATOM 923 O LYS A 117 19.977 27.940 17.324 1.00 11.29 O +ATOM 924 CB LYS A 117 17.391 28.706 18.214 1.00 13.23 C +ATOM 925 CG LYS A 117 16.026 29.272 18.611 1.00 12.90 C +ATOM 926 CD LYS A 117 15.932 29.640 20.097 1.00 12.43 C +ATOM 927 CE LYS A 117 14.551 30.217 20.380 1.00 10.55 C +ATOM 928 NZ LYS A 117 14.491 30.647 21.772 1.00 11.10 N +ATOM 929 N CYS A 118 19.254 27.555 15.188 1.00 13.69 N +ATOM 930 CA CYS A 118 20.449 26.806 14.844 1.00 15.67 C +ATOM 931 C CYS A 118 21.716 27.658 14.796 1.00 15.28 C +ATOM 932 O CYS A 118 22.808 27.113 14.629 1.00 15.30 O +ATOM 933 CB CYS A 118 20.246 26.064 13.492 1.00 17.74 C +ATOM 934 SG CYS A 118 20.353 27.009 11.944 1.00 20.74 S +ATOM 935 N ASP A 119 21.578 28.995 14.931 1.00 15.76 N +ATOM 936 CA ASP A 119 22.722 29.904 15.083 1.00 16.09 C +ATOM 937 C ASP A 119 23.426 29.778 16.445 1.00 17.19 C +ATOM 938 O ASP A 119 24.589 30.178 16.553 1.00 18.76 O +ATOM 939 CB ASP A 119 22.268 31.374 14.888 1.00 15.14 C +ATOM 940 CG ASP A 119 21.153 31.785 15.835 1.00 15.81 C +ATOM 941 OD1 ASP A 119 20.030 31.294 15.662 1.00 13.87 O +ATOM 942 OD2 ASP A 119 21.407 32.596 16.721 1.00 14.85 O +ATOM 943 N LEU A 120 22.732 29.248 17.480 1.00 16.86 N +ATOM 944 CA LEU A 120 23.230 29.099 18.845 1.00 18.76 C +ATOM 945 C LEU A 120 24.217 27.957 18.979 1.00 19.70 C +ATOM 946 O LEU A 120 23.979 26.885 18.431 1.00 20.53 O +ATOM 947 CB LEU A 120 22.103 28.829 19.831 1.00 17.65 C +ATOM 948 CG LEU A 120 21.065 29.933 20.010 1.00 19.43 C +ATOM 949 CD1 LEU A 120 20.044 29.418 21.008 1.00 18.46 C +ATOM 950 CD2 LEU A 120 21.688 31.239 20.503 1.00 18.73 C +ATOM 951 N ALA A 121 25.313 28.184 19.705 1.00 19.26 N +ATOM 952 CA ALA A 121 26.303 27.143 19.887 1.00 20.48 C +ATOM 953 C ALA A 121 25.942 26.210 21.036 1.00 21.30 C +ATOM 954 O ALA A 121 26.403 25.069 21.067 1.00 24.04 O +ATOM 955 CB ALA A 121 27.652 27.767 20.164 1.00 22.02 C +ATOM 956 N ALA A 122 25.109 26.635 21.982 1.00 22.09 N +ATOM 957 CA ALA A 122 24.683 25.797 23.094 1.00 23.88 C +ATOM 958 C ALA A 122 23.578 24.811 22.720 1.00 23.77 C +ATOM 959 O ALA A 122 22.492 24.835 23.301 1.00 27.82 O +ATOM 960 CB ALA A 122 24.171 26.684 24.249 1.00 25.67 C +ATOM 961 N ARG A 123 23.843 23.908 21.783 1.00 20.99 N +ATOM 962 CA ARG A 123 22.890 22.905 21.311 1.00 19.81 C +ATOM 963 C ARG A 123 22.619 21.761 22.283 1.00 19.56 C +ATOM 964 O ARG A 123 23.590 21.176 22.774 1.00 20.01 O +ATOM 965 CB ARG A 123 23.421 22.333 19.988 1.00 19.81 C +ATOM 966 CG ARG A 123 22.662 21.166 19.398 1.00 21.43 C +ATOM 967 CD ARG A 123 23.273 20.680 18.073 1.00 22.66 C +ATOM 968 NE ARG A 123 23.050 21.590 16.956 1.00 22.61 N +ATOM 969 CZ ARG A 123 22.019 21.487 16.093 1.00 20.95 C +ATOM 970 NH1 ARG A 123 21.045 20.568 16.181 1.00 16.36 N +ATOM 971 NH2 ARG A 123 21.989 22.370 15.098 1.00 19.65 N +ATOM 972 N THR A 124 21.364 21.389 22.600 1.00 17.96 N +ATOM 973 CA THR A 124 21.118 20.200 23.415 1.00 17.85 C +ATOM 974 C THR A 124 20.413 19.068 22.656 1.00 17.08 C +ATOM 975 O THR A 124 20.459 17.926 23.091 1.00 19.59 O +ATOM 976 CB THR A 124 20.311 20.578 24.672 1.00 19.42 C +ATOM 977 OG1 THR A 124 19.109 21.230 24.277 1.00 20.50 O +ATOM 978 CG2 THR A 124 21.155 21.458 25.588 1.00 19.06 C +ATOM 979 N VAL A 125 19.788 19.319 21.495 1.00 16.59 N +ATOM 980 CA VAL A 125 19.133 18.324 20.647 1.00 16.09 C +ATOM 981 C VAL A 125 20.032 18.080 19.413 1.00 16.61 C +ATOM 982 O VAL A 125 20.180 18.980 18.573 1.00 14.07 O +ATOM 983 CB VAL A 125 17.720 18.848 20.179 1.00 15.28 C +ATOM 984 CG1 VAL A 125 17.097 17.814 19.265 1.00 14.81 C +ATOM 985 CG2 VAL A 125 16.824 19.168 21.366 1.00 15.97 C +ATOM 986 N GLU A 126 20.659 16.889 19.280 1.00 17.05 N +ATOM 987 CA GLU A 126 21.487 16.568 18.124 1.00 19.28 C +ATOM 988 C GLU A 126 20.631 16.496 16.876 1.00 18.51 C +ATOM 989 O GLU A 126 19.511 15.976 16.880 1.00 17.68 O +ATOM 990 CB GLU A 126 22.165 15.215 18.219 1.00 23.29 C +ATOM 991 CG GLU A 126 23.244 15.057 19.265 1.00 30.86 C +ATOM 992 CD GLU A 126 24.402 16.054 19.153 1.00 36.59 C +ATOM 993 OE1 GLU A 126 25.139 16.012 18.161 1.00 39.64 O +ATOM 994 OE2 GLU A 126 24.581 16.885 20.056 1.00 40.44 O +ATOM 995 N SER A 127 21.167 16.985 15.755 1.00 17.73 N +ATOM 996 CA SER A 127 20.426 16.938 14.493 1.00 16.72 C +ATOM 997 C SER A 127 20.040 15.506 14.158 1.00 16.76 C +ATOM 998 O SER A 127 18.931 15.245 13.690 1.00 17.01 O +ATOM 999 CB SER A 127 21.283 17.518 13.371 1.00 17.67 C +ATOM 1000 OG SER A 127 21.730 18.826 13.768 1.00 19.67 O +ATOM 1001 N ARG A 128 20.916 14.558 14.466 1.00 16.72 N +ATOM 1002 CA ARG A 128 20.667 13.154 14.145 1.00 20.94 C +ATOM 1003 C ARG A 128 19.435 12.617 14.862 1.00 19.62 C +ATOM 1004 O ARG A 128 18.641 11.882 14.278 1.00 18.81 O +ATOM 1005 CB ARG A 128 21.910 12.319 14.510 1.00 24.31 C +ATOM 1006 CG ARG A 128 21.969 11.035 13.692 1.00 30.88 C +ATOM 1007 CD ARG A 128 23.381 10.403 13.536 1.00 35.88 C +ATOM 1008 NE ARG A 128 24.384 10.996 12.621 1.00 39.57 N +ATOM 1009 CZ ARG A 128 24.313 11.018 11.267 1.00 40.85 C +ATOM 1010 NH1 ARG A 128 25.399 11.388 10.577 1.00 40.83 N +ATOM 1011 NH2 ARG A 128 23.202 10.685 10.576 1.00 41.33 N +ATOM 1012 N GLN A 129 19.209 13.016 16.119 1.00 18.27 N +ATOM 1013 CA GLN A 129 18.032 12.519 16.787 1.00 18.53 C +ATOM 1014 C GLN A 129 16.735 13.151 16.224 1.00 17.11 C +ATOM 1015 O GLN A 129 15.691 12.486 16.098 1.00 15.48 O +ATOM 1016 CB GLN A 129 18.229 12.766 18.306 1.00 22.36 C +ATOM 1017 CG GLN A 129 18.041 14.133 18.911 1.00 24.78 C +ATOM 1018 CD GLN A 129 18.283 14.123 20.411 1.00 27.48 C +ATOM 1019 OE1 GLN A 129 19.287 14.643 20.906 1.00 28.14 O +ATOM 1020 NE2 GLN A 129 17.367 13.497 21.152 1.00 27.21 N +ATOM 1021 N ALA A 130 16.780 14.446 15.837 1.00 14.73 N +ATOM 1022 CA ALA A 130 15.611 15.044 15.210 1.00 13.87 C +ATOM 1023 C ALA A 130 15.342 14.449 13.826 1.00 13.30 C +ATOM 1024 O ALA A 130 14.199 14.194 13.436 1.00 11.42 O +ATOM 1025 CB ALA A 130 15.822 16.536 15.063 1.00 16.21 C +ATOM 1026 N GLN A 131 16.401 14.189 13.057 1.00 14.61 N +ATOM 1027 CA GLN A 131 16.267 13.529 11.739 1.00 16.01 C +ATOM 1028 C GLN A 131 15.637 12.109 11.821 1.00 16.29 C +ATOM 1029 O GLN A 131 14.777 11.708 11.017 1.00 14.37 O +ATOM 1030 CB GLN A 131 17.673 13.507 11.116 1.00 18.12 C +ATOM 1031 CG GLN A 131 17.702 13.017 9.689 1.00 22.19 C +ATOM 1032 CD GLN A 131 16.889 13.922 8.801 1.00 21.61 C +ATOM 1033 OE1 GLN A 131 17.292 15.044 8.529 1.00 24.06 O +ATOM 1034 NE2 GLN A 131 15.714 13.485 8.370 1.00 23.37 N +ATOM 1035 N ASP A 132 16.038 11.348 12.853 1.00 16.64 N +ATOM 1036 CA ASP A 132 15.467 10.038 13.173 1.00 18.00 C +ATOM 1037 C ASP A 132 13.984 10.175 13.484 1.00 17.28 C +ATOM 1038 O ASP A 132 13.178 9.395 12.985 1.00 16.45 O +ATOM 1039 CB ASP A 132 16.120 9.415 14.405 1.00 20.10 C +ATOM 1040 CG ASP A 132 17.506 8.816 14.234 1.00 24.07 C +ATOM 1041 OD1 ASP A 132 18.120 8.459 15.243 1.00 28.35 O +ATOM 1042 OD2 ASP A 132 17.975 8.686 13.106 1.00 25.43 O +ATOM 1043 N LEU A 133 13.614 11.168 14.312 1.00 15.58 N +ATOM 1044 CA LEU A 133 12.213 11.390 14.624 1.00 16.28 C +ATOM 1045 C LEU A 133 11.421 11.729 13.366 1.00 14.96 C +ATOM 1046 O LEU A 133 10.345 11.181 13.128 1.00 15.09 O +ATOM 1047 CB LEU A 133 12.052 12.536 15.647 1.00 17.06 C +ATOM 1048 CG LEU A 133 10.617 12.781 16.136 1.00 18.79 C +ATOM 1049 CD1 LEU A 133 10.142 11.554 16.881 1.00 19.96 C +ATOM 1050 CD2 LEU A 133 10.544 14.013 17.020 1.00 18.45 C +ATOM 1051 N ALA A 134 11.937 12.642 12.545 1.00 13.16 N +ATOM 1052 CA ALA A 134 11.241 13.016 11.331 1.00 14.89 C +ATOM 1053 C ALA A 134 11.092 11.821 10.414 1.00 16.19 C +ATOM 1054 O ALA A 134 10.015 11.643 9.857 1.00 15.70 O +ATOM 1055 CB ALA A 134 12.021 14.089 10.629 1.00 15.12 C +ATOM 1056 N ARG A 135 12.143 10.995 10.279 1.00 17.00 N +ATOM 1057 CA ARG A 135 12.088 9.828 9.438 1.00 19.17 C +ATOM 1058 C ARG A 135 10.990 8.893 9.916 1.00 18.70 C +ATOM 1059 O ARG A 135 10.269 8.352 9.078 1.00 20.29 O +ATOM 1060 CB ARG A 135 13.425 9.091 9.456 1.00 22.48 C +ATOM 1061 CG ARG A 135 13.499 8.297 8.155 1.00 29.02 C +ATOM 1062 CD ARG A 135 14.619 7.270 7.988 1.00 33.22 C +ATOM 1063 NE ARG A 135 14.117 5.888 8.050 1.00 38.80 N +ATOM 1064 CZ ARG A 135 13.281 5.302 7.148 1.00 39.60 C +ATOM 1065 NH1 ARG A 135 12.889 4.044 7.384 1.00 40.80 N +ATOM 1066 NH2 ARG A 135 12.827 5.913 6.034 1.00 40.11 N +ATOM 1067 N SER A 136 10.815 8.697 11.242 1.00 19.23 N +ATOM 1068 CA SER A 136 9.757 7.841 11.770 1.00 19.12 C +ATOM 1069 C SER A 136 8.374 8.432 11.528 1.00 19.61 C +ATOM 1070 O SER A 136 7.398 7.690 11.522 1.00 21.01 O +ATOM 1071 CB SER A 136 9.930 7.624 13.280 1.00 19.94 C +ATOM 1072 OG SER A 136 9.459 8.686 14.119 1.00 23.21 O +ATOM 1073 N TYR A 137 8.231 9.760 11.380 1.00 17.33 N +ATOM 1074 CA TYR A 137 6.950 10.375 11.078 1.00 18.12 C +ATOM 1075 C TYR A 137 6.683 10.404 9.570 1.00 18.22 C +ATOM 1076 O TYR A 137 5.561 10.656 9.129 1.00 19.27 O +ATOM 1077 CB TYR A 137 6.907 11.812 11.592 1.00 18.21 C +ATOM 1078 CG TYR A 137 6.883 12.057 13.084 1.00 19.08 C +ATOM 1079 CD1 TYR A 137 6.619 11.026 13.955 1.00 20.51 C +ATOM 1080 CD2 TYR A 137 7.059 13.355 13.548 1.00 20.43 C +ATOM 1081 CE1 TYR A 137 6.510 11.285 15.306 1.00 21.89 C +ATOM 1082 CE2 TYR A 137 6.945 13.624 14.899 1.00 21.02 C +ATOM 1083 CZ TYR A 137 6.662 12.574 15.763 1.00 22.13 C +ATOM 1084 OH TYR A 137 6.476 12.782 17.112 1.00 22.16 O +ATOM 1085 N GLY A 138 7.689 10.186 8.737 1.00 16.07 N +ATOM 1086 CA GLY A 138 7.520 10.265 7.294 1.00 17.66 C +ATOM 1087 C GLY A 138 7.476 11.725 6.810 1.00 18.01 C +ATOM 1088 O GLY A 138 6.859 12.010 5.774 1.00 17.85 O +ATOM 1089 N ILE A 139 8.128 12.662 7.540 1.00 14.16 N +ATOM 1090 CA ILE A 139 8.117 14.065 7.145 1.00 13.49 C +ATOM 1091 C ILE A 139 9.526 14.662 7.033 1.00 14.35 C +ATOM 1092 O ILE A 139 10.494 14.152 7.610 1.00 16.19 O +ATOM 1093 CB ILE A 139 7.292 14.896 8.161 1.00 14.40 C +ATOM 1094 CG1 ILE A 139 7.925 14.811 9.554 1.00 15.44 C +ATOM 1095 CG2 ILE A 139 5.821 14.422 8.104 1.00 14.07 C +ATOM 1096 CD1 ILE A 139 7.288 15.765 10.587 1.00 15.35 C +ATOM 1097 N PRO A 140 9.706 15.767 6.308 1.00 13.55 N +ATOM 1098 CA PRO A 140 10.984 16.448 6.205 1.00 13.39 C +ATOM 1099 C PRO A 140 11.424 17.065 7.532 1.00 12.74 C +ATOM 1100 O PRO A 140 10.601 17.530 8.310 1.00 11.42 O +ATOM 1101 CB PRO A 140 10.767 17.498 5.127 1.00 13.47 C +ATOM 1102 CG PRO A 140 9.514 17.084 4.410 1.00 14.09 C +ATOM 1103 CD PRO A 140 8.686 16.467 5.519 1.00 13.14 C +ATOM 1104 N TYR A 141 12.744 17.086 7.756 1.00 11.68 N +ATOM 1105 CA TYR A 141 13.336 17.791 8.890 1.00 10.89 C +ATOM 1106 C TYR A 141 14.175 18.945 8.326 1.00 10.09 C +ATOM 1107 O TYR A 141 15.056 18.720 7.468 1.00 10.27 O +ATOM 1108 CB TYR A 141 14.276 16.897 9.691 1.00 12.54 C +ATOM 1109 CG TYR A 141 15.063 17.676 10.733 1.00 10.92 C +ATOM 1110 CD1 TYR A 141 14.350 18.396 11.664 1.00 11.75 C +ATOM 1111 CD2 TYR A 141 16.453 17.633 10.784 1.00 12.49 C +ATOM 1112 CE1 TYR A 141 14.997 19.074 12.670 1.00 12.85 C +ATOM 1113 CE2 TYR A 141 17.112 18.307 11.794 1.00 11.33 C +ATOM 1114 CZ TYR A 141 16.369 19.016 12.728 1.00 12.61 C +ATOM 1115 OH TYR A 141 16.944 19.646 13.813 1.00 13.82 O +ATOM 1116 N ILE A 142 13.892 20.174 8.799 1.00 9.35 N +ATOM 1117 CA ILE A 142 14.636 21.355 8.376 1.00 9.05 C +ATOM 1118 C ILE A 142 15.153 22.163 9.551 1.00 9.25 C +ATOM 1119 O ILE A 142 14.409 22.382 10.499 1.00 10.43 O +ATOM 1120 CB ILE A 142 13.756 22.259 7.472 1.00 9.25 C +ATOM 1121 CG1 ILE A 142 13.523 21.470 6.180 1.00 10.51 C +ATOM 1122 CG2 ILE A 142 14.450 23.586 7.122 1.00 9.08 C +ATOM 1123 CD1 ILE A 142 12.719 22.127 5.028 1.00 13.16 C +ATOM 1124 N GLU A 143 16.457 22.513 9.568 1.00 9.01 N +ATOM 1125 CA GLU A 143 16.979 23.404 10.611 1.00 8.52 C +ATOM 1126 C GLU A 143 16.978 24.864 10.193 1.00 10.31 C +ATOM 1127 O GLU A 143 17.278 25.228 9.040 1.00 10.45 O +ATOM 1128 CB GLU A 143 18.397 23.022 11.013 1.00 10.87 C +ATOM 1129 CG GLU A 143 18.363 21.728 11.801 1.00 10.22 C +ATOM 1130 CD GLU A 143 19.592 21.411 12.633 1.00 13.01 C +ATOM 1131 OE1 GLU A 143 20.616 22.082 12.521 1.00 13.65 O +ATOM 1132 OE2 GLU A 143 19.511 20.487 13.429 1.00 12.70 O +ATOM 1133 N THR A 144 16.608 25.762 11.117 1.00 9.18 N +ATOM 1134 CA THR A 144 16.422 27.169 10.754 1.00 9.71 C +ATOM 1135 C THR A 144 17.014 28.076 11.789 1.00 8.66 C +ATOM 1136 O THR A 144 17.259 27.698 12.927 1.00 9.13 O +ATOM 1137 CB THR A 144 14.919 27.617 10.635 1.00 9.90 C +ATOM 1138 OG1 THR A 144 14.336 27.403 11.931 1.00 9.29 O +ATOM 1139 CG2 THR A 144 14.120 26.858 9.557 1.00 9.89 C +ATOM 1140 N SER A 145 17.244 29.288 11.360 1.00 10.91 N +ATOM 1141 CA SER A 145 17.558 30.377 12.290 1.00 12.65 C +ATOM 1142 C SER A 145 16.758 31.602 11.849 1.00 10.37 C +ATOM 1143 O SER A 145 16.930 32.094 10.727 1.00 11.76 O +ATOM 1144 CB SER A 145 19.069 30.768 12.308 1.00 11.79 C +ATOM 1145 OG SER A 145 19.248 31.931 13.125 1.00 12.12 O +ATOM 1146 N ALA A 146 15.838 32.046 12.696 1.00 9.49 N +ATOM 1147 CA ALA A 146 15.131 33.268 12.413 1.00 10.90 C +ATOM 1148 C ALA A 146 16.070 34.455 12.553 1.00 13.53 C +ATOM 1149 O ALA A 146 15.799 35.514 11.995 1.00 16.20 O +ATOM 1150 CB ALA A 146 13.976 33.436 13.367 1.00 12.65 C +ATOM 1151 N LYS A 147 17.183 34.302 13.283 1.00 14.35 N +ATOM 1152 CA LYS A 147 18.150 35.351 13.486 1.00 16.25 C +ATOM 1153 C LYS A 147 18.953 35.568 12.215 1.00 17.58 C +ATOM 1154 O LYS A 147 19.124 36.724 11.825 1.00 20.13 O +ATOM 1155 CB LYS A 147 19.068 34.970 14.617 1.00 17.55 C +ATOM 1156 CG LYS A 147 20.003 36.125 14.958 1.00 22.83 C +ATOM 1157 CD LYS A 147 20.581 35.932 16.341 1.00 26.44 C +ATOM 1158 CE LYS A 147 21.683 36.949 16.507 1.00 30.79 C +ATOM 1159 NZ LYS A 147 22.575 36.534 17.574 1.00 33.81 N +ATOM 1160 N THR A 148 19.479 34.529 11.541 1.00 17.16 N +ATOM 1161 CA THR A 148 20.248 34.735 10.300 1.00 15.93 C +ATOM 1162 C THR A 148 19.422 34.607 9.013 1.00 17.72 C +ATOM 1163 O THR A 148 19.926 34.962 7.945 1.00 18.47 O +ATOM 1164 CB THR A 148 21.444 33.745 10.209 1.00 15.86 C +ATOM 1165 OG1 THR A 148 20.886 32.435 10.042 1.00 14.56 O +ATOM 1166 CG2 THR A 148 22.377 33.839 11.439 1.00 15.25 C +ATOM 1167 N ARG A 149 18.176 34.108 9.100 1.00 15.18 N +ATOM 1168 CA ARG A 149 17.268 33.815 7.994 1.00 19.20 C +ATOM 1169 C ARG A 149 17.652 32.483 7.318 1.00 17.94 C +ATOM 1170 O ARG A 149 17.031 32.079 6.332 1.00 20.28 O +ATOM 1171 CB ARG A 149 17.251 34.964 6.937 1.00 21.40 C +ATOM 1172 CG ARG A 149 15.929 35.106 6.188 1.00 27.00 C +ATOM 1173 CD ARG A 149 15.946 35.904 4.863 1.00 27.99 C +ATOM 1174 NE ARG A 149 14.707 35.687 4.092 1.00 29.40 N +ATOM 1175 CZ ARG A 149 13.550 36.232 4.492 1.00 29.07 C +ATOM 1176 NH1 ARG A 149 12.412 36.015 3.828 1.00 29.56 N +ATOM 1177 NH2 ARG A 149 13.527 37.004 5.577 1.00 28.99 N +ATOM 1178 N GLN A 150 18.621 31.701 7.838 1.00 15.80 N +ATOM 1179 CA GLN A 150 18.926 30.402 7.273 1.00 16.36 C +ATOM 1180 C GLN A 150 17.737 29.464 7.455 1.00 15.02 C +ATOM 1181 O GLN A 150 17.119 29.351 8.504 1.00 13.57 O +ATOM 1182 CB GLN A 150 20.152 29.729 7.937 1.00 23.05 C +ATOM 1183 CG GLN A 150 20.578 28.448 7.162 1.00 29.37 C +ATOM 1184 CD GLN A 150 21.604 27.530 7.827 1.00 34.84 C +ATOM 1185 OE1 GLN A 150 21.301 26.416 8.280 1.00 38.95 O +ATOM 1186 NE2 GLN A 150 22.857 27.967 7.883 1.00 35.22 N +ATOM 1187 N GLY A 151 17.412 28.809 6.348 1.00 13.62 N +ATOM 1188 CA GLY A 151 16.357 27.835 6.296 1.00 13.50 C +ATOM 1189 C GLY A 151 14.943 28.395 6.329 1.00 12.36 C +ATOM 1190 O GLY A 151 14.025 27.591 6.148 1.00 11.07 O +ATOM 1191 N VAL A 152 14.706 29.702 6.510 1.00 12.59 N +ATOM 1192 CA VAL A 152 13.339 30.183 6.715 1.00 14.23 C +ATOM 1193 C VAL A 152 12.435 29.971 5.475 1.00 13.41 C +ATOM 1194 O VAL A 152 11.352 29.362 5.577 1.00 12.94 O +ATOM 1195 CB VAL A 152 13.430 31.691 7.167 1.00 12.57 C +ATOM 1196 CG1 VAL A 152 12.059 32.316 7.194 1.00 13.14 C +ATOM 1197 CG2 VAL A 152 14.044 31.787 8.543 1.00 12.69 C +ATOM 1198 N GLU A 153 12.831 30.410 4.278 1.00 13.52 N +ATOM 1199 CA GLU A 153 12.001 30.213 3.086 1.00 14.81 C +ATOM 1200 C GLU A 153 11.857 28.756 2.742 1.00 11.88 C +ATOM 1201 O GLU A 153 10.797 28.282 2.344 1.00 13.92 O +ATOM 1202 CB GLU A 153 12.592 30.936 1.881 1.00 17.03 C +ATOM 1203 CG GLU A 153 12.454 32.452 2.015 1.00 21.18 C +ATOM 1204 CD GLU A 153 12.870 33.318 0.817 1.00 25.73 C +ATOM 1205 OE1 GLU A 153 13.232 32.781 -0.234 1.00 28.32 O +ATOM 1206 OE2 GLU A 153 12.822 34.550 0.936 1.00 26.64 O +ATOM 1207 N ASP A 154 12.959 28.031 2.957 1.00 11.31 N +ATOM 1208 CA ASP A 154 13.023 26.593 2.747 1.00 10.16 C +ATOM 1209 C ASP A 154 11.964 25.828 3.561 1.00 10.90 C +ATOM 1210 O ASP A 154 11.224 24.985 3.035 1.00 11.83 O +ATOM 1211 CB ASP A 154 14.420 26.212 3.117 1.00 15.00 C +ATOM 1212 CG ASP A 154 14.919 24.942 2.524 1.00 19.04 C +ATOM 1213 OD1 ASP A 154 14.121 24.195 1.938 1.00 22.96 O +ATOM 1214 OD2 ASP A 154 16.122 24.697 2.676 1.00 21.26 O +ATOM 1215 N ALA A 155 11.854 26.107 4.881 1.00 8.83 N +ATOM 1216 CA ALA A 155 10.841 25.450 5.716 1.00 10.00 C +ATOM 1217 C ALA A 155 9.424 25.748 5.203 1.00 10.10 C +ATOM 1218 O ALA A 155 8.653 24.814 4.978 1.00 11.14 O +ATOM 1219 CB ALA A 155 10.923 25.933 7.192 1.00 9.50 C +ATOM 1220 N PHE A 156 9.054 27.011 4.949 1.00 10.59 N +ATOM 1221 CA PHE A 156 7.712 27.345 4.475 1.00 10.51 C +ATOM 1222 C PHE A 156 7.453 26.825 3.069 1.00 11.05 C +ATOM 1223 O PHE A 156 6.368 26.302 2.801 1.00 10.80 O +ATOM 1224 CB PHE A 156 7.492 28.890 4.506 1.00 11.54 C +ATOM 1225 CG PHE A 156 7.266 29.450 5.936 1.00 12.42 C +ATOM 1226 CD1 PHE A 156 8.319 29.958 6.707 1.00 12.00 C +ATOM 1227 CD2 PHE A 156 5.978 29.434 6.478 1.00 12.57 C +ATOM 1228 CE1 PHE A 156 8.065 30.434 8.001 1.00 12.45 C +ATOM 1229 CE2 PHE A 156 5.747 29.908 7.757 1.00 12.32 C +ATOM 1230 CZ PHE A 156 6.782 30.406 8.513 1.00 10.18 C +ATOM 1231 N TYR A 157 8.408 26.935 2.151 1.00 9.69 N +ATOM 1232 CA TYR A 157 8.148 26.463 0.798 1.00 12.31 C +ATOM 1233 C TYR A 157 8.091 24.945 0.719 1.00 10.42 C +ATOM 1234 O TYR A 157 7.292 24.403 -0.047 1.00 11.35 O +ATOM 1235 CB TYR A 157 9.233 26.978 -0.156 1.00 15.16 C +ATOM 1236 CG TYR A 157 9.257 28.492 -0.367 1.00 18.73 C +ATOM 1237 CD1 TYR A 157 8.380 29.366 0.268 1.00 18.52 C +ATOM 1238 CD2 TYR A 157 10.211 28.971 -1.242 1.00 20.44 C +ATOM 1239 CE1 TYR A 157 8.466 30.724 0.025 1.00 22.04 C +ATOM 1240 CE2 TYR A 157 10.305 30.320 -1.488 1.00 22.70 C +ATOM 1241 CZ TYR A 157 9.436 31.178 -0.852 1.00 23.03 C +ATOM 1242 OH TYR A 157 9.572 32.528 -1.089 1.00 26.15 O +ATOM 1243 N THR A 158 8.940 24.198 1.455 1.00 11.35 N +ATOM 1244 CA THR A 158 8.836 22.727 1.522 1.00 10.11 C +ATOM 1245 C THR A 158 7.440 22.347 2.064 1.00 11.11 C +ATOM 1246 O THR A 158 6.811 21.408 1.558 1.00 11.43 O +ATOM 1247 CB THR A 158 9.935 22.129 2.470 1.00 12.09 C +ATOM 1248 OG1 THR A 158 11.216 22.451 1.933 1.00 11.36 O +ATOM 1249 CG2 THR A 158 9.791 20.657 2.624 1.00 10.87 C +ATOM 1250 N LEU A 159 6.888 23.056 3.072 1.00 9.25 N +ATOM 1251 CA LEU A 159 5.533 22.754 3.506 1.00 9.93 C +ATOM 1252 C LEU A 159 4.489 22.986 2.388 1.00 10.42 C +ATOM 1253 O LEU A 159 3.560 22.185 2.272 1.00 11.22 O +ATOM 1254 CB LEU A 159 5.171 23.608 4.711 1.00 9.03 C +ATOM 1255 CG LEU A 159 3.789 23.318 5.269 1.00 10.96 C +ATOM 1256 CD1 LEU A 159 3.635 21.828 5.651 1.00 9.29 C +ATOM 1257 CD2 LEU A 159 3.580 24.223 6.469 1.00 13.71 C +ATOM 1258 N VAL A 160 4.596 24.046 1.548 1.00 10.91 N +ATOM 1259 CA VAL A 160 3.662 24.284 0.439 1.00 9.19 C +ATOM 1260 C VAL A 160 3.803 23.137 -0.556 1.00 9.60 C +ATOM 1261 O VAL A 160 2.781 22.638 -1.031 1.00 10.29 O +ATOM 1262 CB VAL A 160 3.981 25.653 -0.211 1.00 8.50 C +ATOM 1263 CG1 VAL A 160 3.402 25.754 -1.622 1.00 10.56 C +ATOM 1264 CG2 VAL A 160 3.403 26.741 0.659 1.00 7.98 C +ATOM 1265 N ARG A 161 5.033 22.667 -0.839 1.00 9.10 N +ATOM 1266 CA ARG A 161 5.206 21.554 -1.767 1.00 9.82 C +ATOM 1267 C ARG A 161 4.644 20.240 -1.215 1.00 10.44 C +ATOM 1268 O ARG A 161 4.166 19.395 -1.984 1.00 12.88 O +ATOM 1269 CB ARG A 161 6.679 21.398 -2.115 1.00 9.39 C +ATOM 1270 CG ARG A 161 7.146 22.640 -2.816 1.00 9.70 C +ATOM 1271 CD ARG A 161 8.594 22.398 -3.227 1.00 14.12 C +ATOM 1272 NE ARG A 161 9.122 23.635 -3.780 1.00 14.15 N +ATOM 1273 CZ ARG A 161 10.144 24.313 -3.257 1.00 12.45 C +ATOM 1274 NH1 ARG A 161 10.823 23.858 -2.204 1.00 13.24 N +ATOM 1275 NH2 ARG A 161 10.485 25.475 -3.819 1.00 13.52 N +ATOM 1276 N GLU A 162 4.663 20.046 0.112 1.00 10.71 N +ATOM 1277 CA GLU A 162 4.054 18.877 0.722 1.00 11.80 C +ATOM 1278 C GLU A 162 2.522 18.887 0.568 1.00 11.20 C +ATOM 1279 O GLU A 162 1.921 17.848 0.274 1.00 12.90 O +ATOM 1280 CB GLU A 162 4.430 18.815 2.216 1.00 13.86 C +ATOM 1281 CG GLU A 162 5.870 18.460 2.580 1.00 14.10 C +ATOM 1282 CD GLU A 162 6.268 17.038 2.224 1.00 17.23 C +ATOM 1283 OE1 GLU A 162 5.571 16.116 2.627 1.00 19.29 O +ATOM 1284 OE2 GLU A 162 7.278 16.827 1.545 1.00 22.14 O +ATOM 1285 N ILE A 163 1.869 20.045 0.731 1.00 10.13 N +ATOM 1286 CA ILE A 163 0.426 20.175 0.542 1.00 10.58 C +ATOM 1287 C ILE A 163 0.128 19.878 -0.933 1.00 13.43 C +ATOM 1288 O ILE A 163 -0.796 19.118 -1.235 1.00 15.01 O +ATOM 1289 CB ILE A 163 -0.015 21.590 0.891 1.00 11.33 C +ATOM 1290 CG1 ILE A 163 0.084 21.777 2.400 1.00 11.27 C +ATOM 1291 CG2 ILE A 163 -1.486 21.815 0.437 1.00 12.37 C +ATOM 1292 CD1 ILE A 163 -0.006 23.245 2.894 1.00 12.56 C +ATOM 1293 N ARG A 164 0.904 20.456 -1.871 1.00 11.72 N +ATOM 1294 CA ARG A 164 0.770 20.163 -3.283 1.00 13.64 C +ATOM 1295 C ARG A 164 0.813 18.657 -3.626 1.00 17.97 C +ATOM 1296 O ARG A 164 0.150 18.197 -4.559 1.00 18.12 O +ATOM 1297 CB ARG A 164 1.897 20.887 -4.029 1.00 12.51 C +ATOM 1298 CG ARG A 164 1.647 22.371 -4.120 1.00 12.49 C +ATOM 1299 CD ARG A 164 2.801 22.888 -4.950 1.00 14.72 C +ATOM 1300 NE ARG A 164 2.730 24.327 -5.113 1.00 12.82 N +ATOM 1301 CZ ARG A 164 3.800 25.071 -5.405 1.00 13.29 C +ATOM 1302 NH1 ARG A 164 5.018 24.539 -5.527 1.00 11.56 N +ATOM 1303 NH2 ARG A 164 3.595 26.381 -5.572 1.00 12.55 N +ATOM 1304 N GLN A 165 1.590 17.831 -2.935 1.00 20.23 N +ATOM 1305 CA GLN A 165 1.673 16.435 -3.337 1.00 27.50 C +ATOM 1306 C GLN A 165 0.782 15.499 -2.502 1.00 29.12 C +ATOM 1307 O GLN A 165 0.826 14.274 -2.655 1.00 29.30 O +ATOM 1308 CB GLN A 165 3.168 16.070 -3.286 1.00 30.34 C +ATOM 1309 CG GLN A 165 4.018 16.904 -4.309 1.00 35.17 C +ATOM 1310 CD GLN A 165 4.109 16.470 -5.796 1.00 37.71 C +ATOM 1311 OE1 GLN A 165 4.256 17.293 -6.719 1.00 36.70 O +ATOM 1312 NE2 GLN A 165 4.079 15.166 -6.094 1.00 38.13 N +ATOM 1313 N HIS A 166 -0.068 16.075 -1.638 1.00 29.28 N +ATOM 1314 CA HIS A 166 -0.982 15.296 -0.820 1.00 31.13 C +ATOM 1315 C HIS A 166 -2.214 14.971 -1.665 1.00 33.30 C +ATOM 1316 O HIS A 166 -2.630 15.786 -2.497 1.00 34.96 O +ATOM 1317 CB HIS A 166 -1.420 16.090 0.428 1.00 30.89 C +ATOM 1318 CG HIS A 166 -2.247 15.319 1.475 1.00 32.17 C +ATOM 1319 ND1 HIS A 166 -3.579 15.231 1.603 1.00 33.52 N +ATOM 1320 CD2 HIS A 166 -1.712 14.560 2.502 1.00 32.95 C +ATOM 1321 CE1 HIS A 166 -3.857 14.464 2.647 1.00 33.07 C +ATOM 1322 NE2 HIS A 166 -2.727 14.064 3.184 1.00 33.06 N +ATOM 1323 OXT HIS A 166 -2.763 13.888 -1.454 1.00 36.27 O +TER 1324 HIS A 166 +END diff --git a/bench/main_benchmark/structures/SFB_AL_RBP_1URPA_2DRIA/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_RBP_1URPA_2DRIA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ca069099dad2fa1e9937b1cb870b91cae4239af7 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_RBP_1URPA_2DRIA/state_a.pdb @@ -0,0 +1,2004 @@ +ATOM 1 N LYS A 1 73.543 38.738 -22.947 1.00 55.27 N +ATOM 2 CA LYS A 1 73.327 38.564 -21.484 1.00 55.16 C +ATOM 3 C LYS A 1 72.149 37.639 -21.193 1.00 54.64 C +ATOM 4 O LYS A 1 71.004 37.912 -21.559 1.00 54.63 O +ATOM 5 CB LYS A 1 73.135 39.910 -20.793 1.00 55.51 C +ATOM 6 CG LYS A 1 73.617 39.953 -19.353 1.00 55.85 C +ATOM 7 CD LYS A 1 74.394 41.231 -19.070 1.00 56.09 C +ATOM 8 CE LYS A 1 74.338 41.581 -17.593 1.00 56.21 C +ATOM 9 NZ LYS A 1 75.681 41.958 -17.073 1.00 56.40 N +ATOM 10 N ASP A 2 72.443 36.531 -20.514 1.00 53.55 N +ATOM 11 CA ASP A 2 71.393 35.568 -20.193 1.00 52.36 C +ATOM 12 C ASP A 2 70.572 36.013 -18.988 1.00 50.77 C +ATOM 13 O ASP A 2 71.029 36.760 -18.120 1.00 50.51 O +ATOM 14 CB ASP A 2 71.986 34.171 -19.995 1.00 53.07 C +ATOM 15 CG ASP A 2 71.976 33.373 -21.292 1.00 53.64 C +ATOM 16 OD1 ASP A 2 71.653 33.954 -22.352 1.00 53.70 O +ATOM 17 OD2 ASP A 2 72.287 32.165 -21.247 1.00 53.83 O +ATOM 18 N THR A 3 69.323 35.544 -18.947 1.00 48.68 N +ATOM 19 CA THR A 3 68.422 35.902 -17.862 1.00 46.71 C +ATOM 20 C THR A 3 67.959 34.706 -17.035 1.00 44.82 C +ATOM 21 O THR A 3 67.511 33.666 -17.511 1.00 44.72 O +ATOM 22 CB THR A 3 67.195 36.664 -18.398 1.00 47.00 C +ATOM 23 OG1 THR A 3 67.628 37.864 -19.056 1.00 47.48 O +ATOM 24 CG2 THR A 3 66.261 37.048 -17.264 1.00 46.96 C +ATOM 25 N ILE A 4 68.073 34.892 -15.725 1.00 42.14 N +ATOM 26 CA ILE A 4 67.608 33.973 -14.706 1.00 39.79 C +ATOM 27 C ILE A 4 66.408 34.678 -14.055 1.00 38.44 C +ATOM 28 O ILE A 4 66.491 35.879 -13.796 1.00 38.04 O +ATOM 29 CB ILE A 4 68.643 33.665 -13.626 1.00 39.35 C +ATOM 30 CG1 ILE A 4 69.783 32.811 -14.187 1.00 39.13 C +ATOM 31 CG2 ILE A 4 68.010 32.959 -12.429 1.00 39.18 C +ATOM 32 CD1 ILE A 4 70.922 32.625 -13.201 1.00 38.79 C +ATOM 33 N ALA A 5 65.320 33.948 -13.852 1.00 36.61 N +ATOM 34 CA ALA A 5 64.131 34.539 -13.249 1.00 34.88 C +ATOM 35 C ALA A 5 63.932 34.036 -11.821 1.00 33.79 C +ATOM 36 O ALA A 5 64.221 32.888 -11.484 1.00 33.68 O +ATOM 37 CB ALA A 5 62.890 34.236 -14.064 1.00 34.67 C +ATOM 38 N LEU A 6 63.454 34.951 -10.978 1.00 32.23 N +ATOM 39 CA LEU A 6 63.189 34.601 -9.588 1.00 30.91 C +ATOM 40 C LEU A 6 61.745 34.973 -9.251 1.00 30.38 C +ATOM 41 O LEU A 6 61.369 36.145 -9.275 1.00 30.98 O +ATOM 42 CB LEU A 6 64.164 35.254 -8.612 1.00 30.31 C +ATOM 43 CG LEU A 6 63.777 35.207 -7.133 1.00 29.85 C +ATOM 44 CD1 LEU A 6 63.789 33.787 -6.597 1.00 29.69 C +ATOM 45 CD2 LEU A 6 64.693 36.084 -6.288 1.00 29.07 C +ATOM 46 N VAL A 7 60.946 33.948 -8.976 1.00 29.25 N +ATOM 47 CA VAL A 7 59.561 34.176 -8.557 1.00 28.12 C +ATOM 48 C VAL A 7 59.575 34.036 -7.033 1.00 27.23 C +ATOM 49 O VAL A 7 59.791 32.947 -6.496 1.00 27.15 O +ATOM 50 CB VAL A 7 58.553 33.208 -9.176 1.00 28.14 C +ATOM 51 CG1 VAL A 7 57.157 33.489 -8.643 1.00 28.00 C +ATOM 52 CG2 VAL A 7 58.582 33.323 -10.693 1.00 27.82 C +ATOM 53 N VAL A 8 59.418 35.165 -6.360 1.00 26.27 N +ATOM 54 CA VAL A 8 59.492 35.153 -4.896 1.00 26.03 C +ATOM 55 C VAL A 8 58.104 35.211 -4.274 1.00 26.02 C +ATOM 56 O VAL A 8 57.231 35.940 -4.748 1.00 25.79 O +ATOM 57 CB VAL A 8 60.425 36.288 -4.438 1.00 25.65 C +ATOM 58 CG1 VAL A 8 59.838 37.650 -4.763 1.00 25.50 C +ATOM 59 CG2 VAL A 8 60.761 36.139 -2.959 1.00 25.48 C +ATOM 60 N SER A 9 57.912 34.436 -3.207 1.00 26.14 N +ATOM 61 CA SER A 9 56.615 34.375 -2.536 1.00 26.72 C +ATOM 62 C SER A 9 56.089 35.753 -2.171 1.00 27.45 C +ATOM 63 O SER A 9 54.936 36.040 -2.489 1.00 27.66 O +ATOM 64 CB SER A 9 56.650 33.444 -1.332 1.00 26.01 C +ATOM 65 OG SER A 9 57.475 33.948 -0.309 1.00 25.53 O +ATOM 66 N THR A 10 56.876 36.609 -1.551 1.00 28.28 N +ATOM 67 CA THR A 10 56.470 37.963 -1.201 1.00 28.61 C +ATOM 68 C THR A 10 57.666 38.877 -0.949 1.00 28.93 C +ATOM 69 O THR A 10 58.749 38.416 -0.600 1.00 29.09 O +ATOM 70 CB THR A 10 55.598 37.976 0.072 1.00 28.77 C +ATOM 71 OG1 THR A 10 55.246 39.325 0.390 1.00 28.94 O +ATOM 72 CG2 THR A 10 56.340 37.364 1.251 1.00 28.68 C +ATOM 73 N LEU A 11 57.483 40.180 -1.103 1.00 29.60 N +ATOM 74 CA LEU A 11 58.565 41.128 -0.799 1.00 29.95 C +ATOM 75 C LEU A 11 58.125 42.013 0.369 1.00 31.28 C +ATOM 76 O LEU A 11 58.635 43.094 0.645 1.00 31.29 O +ATOM 77 CB LEU A 11 58.972 41.906 -2.034 1.00 28.82 C +ATOM 78 CG LEU A 11 59.792 41.167 -3.100 1.00 28.23 C +ATOM 79 CD1 LEU A 11 60.018 42.063 -4.303 1.00 27.64 C +ATOM 80 CD2 LEU A 11 61.116 40.686 -2.523 1.00 27.71 C +ATOM 81 N ASN A 12 57.160 41.497 1.128 1.00 32.58 N +ATOM 82 CA ASN A 12 56.554 42.112 2.279 1.00 34.38 C +ATOM 83 C ASN A 12 57.164 41.704 3.616 1.00 34.46 C +ATOM 84 O ASN A 12 56.791 42.162 4.691 1.00 34.06 O +ATOM 85 CB ASN A 12 55.093 41.642 2.358 1.00 36.52 C +ATOM 86 CG ASN A 12 54.142 42.758 1.990 1.00 38.18 C +ATOM 87 OD1 ASN A 12 53.348 42.616 1.073 1.00 39.29 O +ATOM 88 ND2 ASN A 12 54.254 43.839 2.747 1.00 38.78 N +ATOM 89 N ASN A 13 58.098 40.783 3.521 1.00 34.39 N +ATOM 90 CA ASN A 13 58.834 40.261 4.677 1.00 34.11 C +ATOM 91 C ASN A 13 60.327 40.422 4.433 1.00 33.15 C +ATOM 92 O ASN A 13 60.818 40.154 3.331 1.00 33.29 O +ATOM 93 CB ASN A 13 58.349 38.834 4.806 1.00 34.87 C +ATOM 94 CG ASN A 13 59.129 37.891 5.669 1.00 35.81 C +ATOM 95 OD1 ASN A 13 60.161 38.244 6.233 1.00 36.44 O +ATOM 96 ND2 ASN A 13 58.624 36.661 5.768 1.00 36.02 N +ATOM 97 N PRO A 14 61.076 40.857 5.445 1.00 31.83 N +ATOM 98 CA PRO A 14 62.508 41.057 5.346 1.00 30.46 C +ATOM 99 C PRO A 14 63.251 39.790 4.947 1.00 28.97 C +ATOM 100 O PRO A 14 64.214 39.836 4.187 1.00 28.94 O +ATOM 101 CB PRO A 14 62.931 41.556 6.723 1.00 31.09 C +ATOM 102 CG PRO A 14 61.682 41.975 7.417 1.00 31.79 C +ATOM 103 CD PRO A 14 60.560 41.196 6.798 1.00 31.72 C +ATOM 104 N PHE A 15 62.814 38.632 5.418 1.00 26.54 N +ATOM 105 CA PHE A 15 63.421 37.355 5.084 1.00 24.93 C +ATOM 106 C PHE A 15 63.465 37.178 3.567 1.00 24.35 C +ATOM 107 O PHE A 15 64.507 36.793 3.035 1.00 23.37 O +ATOM 108 CB PHE A 15 62.670 36.202 5.733 1.00 23.67 C +ATOM 109 CG PHE A 15 63.169 34.828 5.403 1.00 22.86 C +ATOM 110 CD1 PHE A 15 62.891 34.226 4.187 1.00 22.23 C +ATOM 111 CD2 PHE A 15 63.926 34.126 6.333 1.00 22.32 C +ATOM 112 CE1 PHE A 15 63.357 32.966 3.888 1.00 21.84 C +ATOM 113 CE2 PHE A 15 64.384 32.857 6.045 1.00 22.15 C +ATOM 114 CZ PHE A 15 64.097 32.279 4.819 1.00 21.63 C +ATOM 115 N PHE A 16 62.347 37.437 2.893 1.00 23.87 N +ATOM 116 CA PHE A 16 62.312 37.281 1.445 1.00 23.42 C +ATOM 117 C PHE A 16 62.957 38.428 0.693 1.00 23.12 C +ATOM 118 O PHE A 16 63.386 38.240 -0.456 1.00 22.90 O +ATOM 119 CB PHE A 16 60.873 36.984 1.003 1.00 23.61 C +ATOM 120 CG PHE A 16 60.391 35.682 1.603 1.00 23.99 C +ATOM 121 CD1 PHE A 16 60.853 34.477 1.117 1.00 24.21 C +ATOM 122 CD2 PHE A 16 59.490 35.671 2.649 1.00 24.01 C +ATOM 123 CE1 PHE A 16 60.431 33.278 1.659 1.00 24.52 C +ATOM 124 CE2 PHE A 16 59.059 34.487 3.204 1.00 24.12 C +ATOM 125 CZ PHE A 16 59.528 33.290 2.707 1.00 24.42 C +ATOM 126 N VAL A 17 63.107 39.600 1.308 1.00 22.97 N +ATOM 127 CA VAL A 17 63.818 40.703 0.638 1.00 22.49 C +ATOM 128 C VAL A 17 65.300 40.346 0.645 1.00 22.48 C +ATOM 129 O VAL A 17 65.991 40.485 -0.373 1.00 22.41 O +ATOM 130 CB VAL A 17 63.510 42.053 1.281 1.00 22.80 C +ATOM 131 CG1 VAL A 17 64.473 43.159 0.865 1.00 21.78 C +ATOM 132 CG2 VAL A 17 62.077 42.471 0.932 1.00 21.94 C +ATOM 133 N SER A 18 65.800 39.792 1.752 1.00 22.84 N +ATOM 134 CA SER A 18 67.176 39.306 1.795 1.00 23.97 C +ATOM 135 C SER A 18 67.376 38.183 0.770 1.00 23.80 C +ATOM 136 O SER A 18 68.393 38.176 0.081 1.00 23.60 O +ATOM 137 CB SER A 18 67.570 38.767 3.162 1.00 24.21 C +ATOM 138 OG SER A 18 67.511 39.827 4.092 1.00 25.77 O +ATOM 139 N LEU A 19 66.402 37.275 0.660 1.00 23.45 N +ATOM 140 CA LEU A 19 66.513 36.199 -0.319 1.00 23.68 C +ATOM 141 C LEU A 19 66.684 36.817 -1.700 1.00 24.14 C +ATOM 142 O LEU A 19 67.601 36.399 -2.414 1.00 23.93 O +ATOM 143 CB LEU A 19 65.332 35.229 -0.285 1.00 23.34 C +ATOM 144 CG LEU A 19 65.510 33.931 -1.092 1.00 23.28 C +ATOM 145 CD1 LEU A 19 64.728 32.797 -0.450 1.00 23.62 C +ATOM 146 CD2 LEU A 19 65.085 34.134 -2.536 1.00 22.41 C +ATOM 147 N LYS A 20 65.860 37.798 -2.060 1.00 24.54 N +ATOM 148 CA LYS A 20 66.009 38.466 -3.344 1.00 25.94 C +ATOM 149 C LYS A 20 67.373 39.154 -3.456 1.00 25.99 C +ATOM 150 O LYS A 20 68.048 39.024 -4.475 1.00 25.57 O +ATOM 151 CB LYS A 20 64.890 39.483 -3.597 1.00 27.04 C +ATOM 152 CG LYS A 20 65.208 40.463 -4.716 1.00 28.48 C +ATOM 153 CD LYS A 20 64.134 41.486 -4.995 1.00 30.10 C +ATOM 154 CE LYS A 20 63.923 42.438 -3.825 1.00 31.62 C +ATOM 155 NZ LYS A 20 64.956 43.510 -3.789 1.00 32.38 N +ATOM 156 N ASP A 21 67.785 39.898 -2.440 1.00 26.29 N +ATOM 157 CA ASP A 21 69.060 40.612 -2.464 1.00 26.94 C +ATOM 158 C ASP A 21 70.239 39.671 -2.675 1.00 26.73 C +ATOM 159 O ASP A 21 71.092 39.935 -3.528 1.00 26.19 O +ATOM 160 CB ASP A 21 69.229 41.452 -1.194 1.00 27.84 C +ATOM 161 CG ASP A 21 68.258 42.624 -1.130 1.00 29.24 C +ATOM 162 OD1 ASP A 21 67.645 42.979 -2.155 1.00 29.07 O +ATOM 163 OD2 ASP A 21 68.105 43.207 -0.023 1.00 29.90 O +ATOM 164 N GLY A 22 70.286 38.551 -1.957 1.00 26.08 N +ATOM 165 CA GLY A 22 71.337 37.549 -2.117 1.00 25.69 C +ATOM 166 C GLY A 22 71.381 36.986 -3.532 1.00 25.57 C +ATOM 167 O GLY A 22 72.450 36.798 -4.114 1.00 25.75 O +ATOM 168 N ALA A 23 70.219 36.762 -4.136 1.00 25.40 N +ATOM 169 CA ALA A 23 70.087 36.271 -5.493 1.00 25.34 C +ATOM 170 C ALA A 23 70.560 37.322 -6.492 1.00 25.72 C +ATOM 171 O ALA A 23 71.190 36.993 -7.498 1.00 25.73 O +ATOM 172 CB ALA A 23 68.642 35.898 -5.794 1.00 24.80 C +ATOM 173 N GLN A 24 70.219 38.581 -6.231 1.00 25.91 N +ATOM 174 CA GLN A 24 70.649 39.663 -7.113 1.00 27.06 C +ATOM 175 C GLN A 24 72.169 39.810 -7.111 1.00 26.68 C +ATOM 176 O GLN A 24 72.798 39.902 -8.167 1.00 26.65 O +ATOM 177 CB GLN A 24 69.986 40.986 -6.715 1.00 27.79 C +ATOM 178 CG GLN A 24 70.297 42.159 -7.628 1.00 29.03 C +ATOM 179 CD GLN A 24 69.639 42.078 -8.984 1.00 29.92 C +ATOM 180 OE1 GLN A 24 68.410 42.091 -9.107 1.00 30.70 O +ATOM 181 NE2 GLN A 24 70.448 41.989 -10.038 1.00 30.39 N +ATOM 182 N LYS A 25 72.789 39.841 -5.934 1.00 26.78 N +ATOM 183 CA LYS A 25 74.234 40.020 -5.850 1.00 28.00 C +ATOM 184 C LYS A 25 74.947 38.855 -6.525 1.00 27.22 C +ATOM 185 O LYS A 25 75.854 39.103 -7.332 1.00 26.58 O +ATOM 186 CB LYS A 25 74.681 40.231 -4.408 1.00 29.39 C +ATOM 187 CG LYS A 25 76.116 40.708 -4.249 1.00 31.66 C +ATOM 188 CD LYS A 25 76.814 40.059 -3.055 1.00 33.21 C +ATOM 189 CE LYS A 25 78.287 40.441 -2.965 1.00 34.34 C +ATOM 190 NZ LYS A 25 79.171 39.375 -2.397 1.00 34.62 N +ATOM 191 N GLU A 26 74.515 37.612 -6.266 1.00 26.83 N +ATOM 192 CA GLU A 26 75.148 36.457 -6.899 1.00 26.38 C +ATOM 193 C GLU A 26 74.963 36.477 -8.410 1.00 25.76 C +ATOM 194 O GLU A 26 75.906 36.195 -9.145 1.00 25.75 O +ATOM 195 CB GLU A 26 74.680 35.126 -6.298 1.00 26.41 C +ATOM 196 CG GLU A 26 75.328 33.907 -6.927 1.00 26.94 C +ATOM 197 CD GLU A 26 76.734 33.607 -6.441 1.00 26.95 C +ATOM 198 OE1 GLU A 26 77.268 34.264 -5.526 1.00 26.63 O +ATOM 199 OE2 GLU A 26 77.330 32.659 -6.999 1.00 27.41 O +ATOM 200 N ALA A 27 73.785 36.855 -8.894 1.00 25.29 N +ATOM 201 CA ALA A 27 73.523 36.960 -10.325 1.00 25.17 C +ATOM 202 C ALA A 27 74.428 37.988 -10.996 1.00 25.87 C +ATOM 203 O ALA A 27 75.025 37.741 -12.051 1.00 25.11 O +ATOM 204 CB ALA A 27 72.061 37.325 -10.549 1.00 25.09 C +ATOM 205 N ASP A 28 74.574 39.159 -10.381 1.00 26.18 N +ATOM 206 CA ASP A 28 75.448 40.199 -10.906 1.00 27.24 C +ATOM 207 C ASP A 28 76.871 39.650 -11.042 1.00 27.22 C +ATOM 208 O ASP A 28 77.542 39.803 -12.051 1.00 27.16 O +ATOM 209 CB ASP A 28 75.518 41.418 -9.984 1.00 27.88 C +ATOM 210 CG ASP A 28 74.273 42.277 -9.976 1.00 28.53 C +ATOM 211 OD1 ASP A 28 73.474 42.197 -10.934 1.00 28.75 O +ATOM 212 OD2 ASP A 28 74.103 43.039 -8.997 1.00 29.16 O +ATOM 213 N LYS A 29 77.318 39.006 -9.974 1.00 27.26 N +ATOM 214 CA LYS A 29 78.618 38.397 -9.851 1.00 27.41 C +ATOM 215 C LYS A 29 78.914 37.333 -10.900 1.00 27.36 C +ATOM 216 O LYS A 29 80.045 37.257 -11.396 1.00 27.74 O +ATOM 217 CB LYS A 29 78.715 37.768 -8.451 1.00 27.39 C +ATOM 218 CG LYS A 29 80.049 37.097 -8.202 1.00 27.98 C +ATOM 219 CD LYS A 29 80.638 37.557 -6.877 1.00 29.00 C +ATOM 220 CE LYS A 29 80.119 36.696 -5.735 1.00 29.46 C +ATOM 221 NZ LYS A 29 80.104 37.500 -4.482 1.00 30.50 N +ATOM 222 N LEU A 30 77.924 36.522 -11.252 1.00 26.99 N +ATOM 223 CA LEU A 30 78.066 35.485 -12.258 1.00 26.84 C +ATOM 224 C LEU A 30 77.731 35.971 -13.658 1.00 27.13 C +ATOM 225 O LEU A 30 77.867 35.204 -14.618 1.00 26.74 O +ATOM 226 CB LEU A 30 77.226 34.252 -11.898 1.00 26.21 C +ATOM 227 CG LEU A 30 77.691 33.483 -10.656 1.00 26.12 C +ATOM 228 CD1 LEU A 30 76.760 32.320 -10.345 1.00 25.73 C +ATOM 229 CD2 LEU A 30 79.119 32.975 -10.825 1.00 26.34 C +ATOM 230 N GLY A 31 77.321 37.231 -13.801 1.00 27.53 N +ATOM 231 CA GLY A 31 77.084 37.825 -15.105 1.00 28.34 C +ATOM 232 C GLY A 31 75.699 37.644 -15.683 1.00 29.60 C +ATOM 233 O GLY A 31 75.511 37.692 -16.905 1.00 29.53 O +ATOM 234 N TYR A 32 74.690 37.466 -14.833 1.00 30.75 N +ATOM 235 CA TYR A 32 73.330 37.280 -15.308 1.00 32.04 C +ATOM 236 C TYR A 32 72.432 38.486 -15.005 1.00 33.12 C +ATOM 237 O TYR A 32 72.643 39.305 -14.120 1.00 33.13 O +ATOM 238 CB TYR A 32 72.656 36.065 -14.674 1.00 31.81 C +ATOM 239 CG TYR A 32 73.186 34.710 -15.063 1.00 31.63 C +ATOM 240 CD1 TYR A 32 72.710 34.047 -16.182 1.00 31.92 C +ATOM 241 CD2 TYR A 32 74.159 34.087 -14.294 1.00 31.66 C +ATOM 242 CE1 TYR A 32 73.189 32.792 -16.531 1.00 31.92 C +ATOM 243 CE2 TYR A 32 74.641 32.839 -14.635 1.00 31.80 C +ATOM 244 CZ TYR A 32 74.155 32.194 -15.750 1.00 31.87 C +ATOM 245 OH TYR A 32 74.641 30.948 -16.088 1.00 32.17 O +ATOM 246 N ASN A 33 71.361 38.519 -15.782 1.00 34.37 N +ATOM 247 CA ASN A 33 70.286 39.477 -15.625 1.00 35.30 C +ATOM 248 C ASN A 33 69.182 38.781 -14.827 1.00 35.03 C +ATOM 249 O ASN A 33 68.638 37.789 -15.325 1.00 34.94 O +ATOM 250 CB ASN A 33 69.738 39.888 -16.998 1.00 37.23 C +ATOM 251 CG ASN A 33 69.993 41.379 -17.173 1.00 39.03 C +ATOM 252 OD1 ASN A 33 69.231 42.190 -16.631 1.00 40.45 O +ATOM 253 ND2 ASN A 33 71.061 41.697 -17.887 1.00 39.15 N +ATOM 254 N LEU A 34 68.890 39.258 -13.624 1.00 34.24 N +ATOM 255 CA LEU A 34 67.861 38.608 -12.817 1.00 33.45 C +ATOM 256 C LEU A 34 66.517 39.311 -12.926 1.00 33.45 C +ATOM 257 O LEU A 34 66.385 40.489 -12.586 1.00 33.48 O +ATOM 258 CB LEU A 34 68.299 38.526 -11.353 1.00 32.85 C +ATOM 259 CG LEU A 34 67.382 37.756 -10.405 1.00 32.30 C +ATOM 260 CD1 LEU A 34 67.574 36.254 -10.538 1.00 32.24 C +ATOM 261 CD2 LEU A 34 67.601 38.171 -8.957 1.00 32.07 C +ATOM 262 N VAL A 35 65.521 38.584 -13.429 1.00 33.11 N +ATOM 263 CA VAL A 35 64.159 39.125 -13.491 1.00 32.69 C +ATOM 264 C VAL A 35 63.457 38.669 -12.209 1.00 32.23 C +ATOM 265 O VAL A 35 63.477 37.476 -11.905 1.00 32.28 O +ATOM 266 CB VAL A 35 63.414 38.642 -14.738 1.00 32.81 C +ATOM 267 CG1 VAL A 35 61.931 38.957 -14.648 1.00 33.26 C +ATOM 268 CG2 VAL A 35 63.993 39.282 -15.997 1.00 32.85 C +ATOM 269 N VAL A 36 62.939 39.596 -11.409 1.00 31.59 N +ATOM 270 CA VAL A 36 62.316 39.245 -10.136 1.00 30.50 C +ATOM 271 C VAL A 36 60.819 39.509 -10.151 1.00 30.41 C +ATOM 272 O VAL A 36 60.374 40.622 -10.418 1.00 30.92 O +ATOM 273 CB VAL A 36 62.925 40.006 -8.943 1.00 30.22 C +ATOM 274 CG1 VAL A 36 62.247 39.594 -7.638 1.00 29.81 C +ATOM 275 CG2 VAL A 36 64.422 39.756 -8.815 1.00 29.57 C +ATOM 276 N LEU A 37 60.039 38.465 -9.867 1.00 29.95 N +ATOM 277 CA LEU A 37 58.581 38.635 -9.842 1.00 29.35 C +ATOM 278 C LEU A 37 58.052 38.329 -8.445 1.00 28.97 C +ATOM 279 O LEU A 37 58.388 37.325 -7.828 1.00 28.87 O +ATOM 280 CB LEU A 37 57.906 37.793 -10.915 1.00 29.10 C +ATOM 281 CG LEU A 37 58.118 38.224 -12.373 1.00 29.33 C +ATOM 282 CD1 LEU A 37 57.270 37.357 -13.299 1.00 29.02 C +ATOM 283 CD2 LEU A 37 57.796 39.701 -12.580 1.00 29.08 C +ATOM 284 N ASP A 38 57.248 39.242 -7.922 1.00 28.61 N +ATOM 285 CA ASP A 38 56.651 39.116 -6.596 1.00 28.14 C +ATOM 286 C ASP A 38 55.271 38.462 -6.711 1.00 27.75 C +ATOM 287 O ASP A 38 54.435 38.886 -7.503 1.00 26.89 O +ATOM 288 CB ASP A 38 56.548 40.499 -5.967 1.00 28.19 C +ATOM 289 CG ASP A 38 56.045 40.520 -4.544 1.00 28.56 C +ATOM 290 OD1 ASP A 38 55.889 39.457 -3.915 1.00 28.53 O +ATOM 291 OD2 ASP A 38 55.793 41.626 -4.010 1.00 28.88 O +ATOM 292 N SER A 39 55.047 37.416 -5.928 1.00 27.57 N +ATOM 293 CA SER A 39 53.768 36.711 -5.949 1.00 28.29 C +ATOM 294 C SER A 39 52.772 37.308 -4.966 1.00 28.97 C +ATOM 295 O SER A 39 51.594 36.929 -4.952 1.00 28.85 O +ATOM 296 CB SER A 39 53.966 35.224 -5.625 1.00 27.39 C +ATOM 297 OG SER A 39 54.619 34.585 -6.702 1.00 27.46 O +ATOM 298 N GLN A 40 53.238 38.177 -4.065 1.00 29.33 N +ATOM 299 CA GLN A 40 52.384 38.814 -3.070 1.00 30.49 C +ATOM 300 C GLN A 40 51.658 37.810 -2.186 1.00 30.57 C +ATOM 301 O GLN A 40 50.512 37.986 -1.778 1.00 29.99 O +ATOM 302 CB GLN A 40 51.381 39.739 -3.786 1.00 31.36 C +ATOM 303 CG GLN A 40 52.069 40.856 -4.546 1.00 33.00 C +ATOM 304 CD GLN A 40 51.177 41.725 -5.400 1.00 34.02 C +ATOM 305 OE1 GLN A 40 50.691 41.329 -6.465 1.00 34.78 O +ATOM 306 NE2 GLN A 40 50.942 42.960 -4.960 1.00 34.65 N +ATOM 307 N ASN A 41 52.303 36.687 -1.890 1.00 30.40 N +ATOM 308 CA ASN A 41 51.798 35.575 -1.123 1.00 30.68 C +ATOM 309 C ASN A 41 50.483 35.016 -1.649 1.00 30.60 C +ATOM 310 O ASN A 41 49.651 34.546 -0.877 1.00 30.94 O +ATOM 311 CB ASN A 41 51.641 35.984 0.344 1.00 31.37 C +ATOM 312 CG ASN A 41 52.779 35.449 1.192 1.00 32.29 C +ATOM 313 OD1 ASN A 41 53.237 34.315 1.028 1.00 32.45 O +ATOM 314 ND2 ASN A 41 53.239 36.312 2.101 1.00 32.55 N +ATOM 315 N ASN A 42 50.281 35.019 -2.957 1.00 30.24 N +ATOM 316 CA ASN A 42 49.047 34.537 -3.575 1.00 30.02 C +ATOM 317 C ASN A 42 49.378 33.557 -4.689 1.00 29.83 C +ATOM 318 O ASN A 42 49.918 33.925 -5.734 1.00 29.57 O +ATOM 319 CB ASN A 42 48.251 35.729 -4.080 1.00 30.14 C +ATOM 320 CG ASN A 42 47.069 35.496 -4.986 1.00 30.59 C +ATOM 321 OD1 ASN A 42 46.693 34.389 -5.377 1.00 30.58 O +ATOM 322 ND2 ASN A 42 46.425 36.596 -5.386 1.00 30.64 N +ATOM 323 N PRO A 43 48.993 32.294 -4.505 1.00 29.62 N +ATOM 324 CA PRO A 43 49.212 31.250 -5.486 1.00 29.67 C +ATOM 325 C PRO A 43 48.714 31.593 -6.876 1.00 30.02 C +ATOM 326 O PRO A 43 49.368 31.220 -7.856 1.00 29.92 O +ATOM 327 CB PRO A 43 48.495 30.037 -4.902 1.00 29.56 C +ATOM 328 CG PRO A 43 48.491 30.278 -3.429 1.00 29.54 C +ATOM 329 CD PRO A 43 48.332 31.772 -3.286 1.00 29.56 C +ATOM 330 N ALA A 44 47.586 32.286 -7.011 1.00 30.07 N +ATOM 331 CA ALA A 44 47.109 32.686 -8.334 1.00 30.76 C +ATOM 332 C ALA A 44 48.115 33.622 -9.000 1.00 30.84 C +ATOM 333 O ALA A 44 48.476 33.396 -10.160 1.00 31.58 O +ATOM 334 CB ALA A 44 45.720 33.287 -8.238 1.00 30.39 C +ATOM 335 N LYS A 45 48.623 34.641 -8.312 1.00 30.90 N +ATOM 336 CA LYS A 45 49.623 35.566 -8.846 1.00 31.02 C +ATOM 337 C LYS A 45 50.941 34.859 -9.138 1.00 30.55 C +ATOM 338 O LYS A 45 51.579 35.081 -10.169 1.00 30.53 O +ATOM 339 CB LYS A 45 49.816 36.750 -7.912 1.00 32.03 C +ATOM 340 CG LYS A 45 50.870 37.771 -8.275 1.00 33.63 C +ATOM 341 CD LYS A 45 50.541 38.741 -9.384 1.00 34.69 C +ATOM 342 CE LYS A 45 49.147 39.336 -9.330 1.00 35.92 C +ATOM 343 NZ LYS A 45 48.684 39.644 -7.944 1.00 36.22 N +ATOM 344 N GLU A 46 51.338 33.913 -8.301 1.00 30.27 N +ATOM 345 CA GLU A 46 52.508 33.073 -8.524 1.00 30.51 C +ATOM 346 C GLU A 46 52.344 32.300 -9.830 1.00 31.03 C +ATOM 347 O GLU A 46 53.237 32.226 -10.678 1.00 30.87 O +ATOM 348 CB GLU A 46 52.667 32.102 -7.359 1.00 29.95 C +ATOM 349 CG GLU A 46 53.754 31.062 -7.486 1.00 29.82 C +ATOM 350 CD GLU A 46 53.806 30.143 -6.280 1.00 29.88 C +ATOM 351 OE1 GLU A 46 53.061 29.142 -6.290 1.00 30.04 O +ATOM 352 OE2 GLU A 46 54.560 30.405 -5.323 1.00 29.98 O +ATOM 353 N LEU A 47 51.156 31.722 -10.014 1.00 31.44 N +ATOM 354 CA LEU A 47 50.826 30.981 -11.218 1.00 32.31 C +ATOM 355 C LEU A 47 50.935 31.899 -12.431 1.00 32.96 C +ATOM 356 O LEU A 47 51.517 31.497 -13.432 1.00 33.45 O +ATOM 357 CB LEU A 47 49.433 30.343 -11.150 1.00 32.21 C +ATOM 358 CG LEU A 47 49.074 29.422 -12.327 1.00 32.41 C +ATOM 359 CD1 LEU A 47 49.998 28.217 -12.359 1.00 31.96 C +ATOM 360 CD2 LEU A 47 47.608 29.003 -12.253 1.00 32.09 C +ATOM 361 N ALA A 48 50.418 33.113 -12.335 1.00 33.72 N +ATOM 362 CA ALA A 48 50.488 34.079 -13.423 1.00 34.85 C +ATOM 363 C ALA A 48 51.928 34.490 -13.710 1.00 35.89 C +ATOM 364 O ALA A 48 52.340 34.616 -14.869 1.00 36.16 O +ATOM 365 CB ALA A 48 49.653 35.305 -13.085 1.00 34.72 C +ATOM 366 N ASN A 49 52.725 34.679 -12.660 1.00 36.56 N +ATOM 367 CA ASN A 49 54.130 35.025 -12.837 1.00 37.64 C +ATOM 368 C ASN A 49 54.868 33.948 -13.630 1.00 39.09 C +ATOM 369 O ASN A 49 55.613 34.272 -14.556 1.00 38.88 O +ATOM 370 CB ASN A 49 54.832 35.220 -11.493 1.00 36.83 C +ATOM 371 CG ASN A 49 54.466 36.525 -10.813 1.00 36.45 C +ATOM 372 OD1 ASN A 49 53.854 37.413 -11.407 1.00 35.86 O +ATOM 373 ND2 ASN A 49 54.853 36.624 -9.546 1.00 36.26 N +ATOM 374 N VAL A 50 54.663 32.683 -13.258 1.00 40.86 N +ATOM 375 CA VAL A 50 55.328 31.592 -13.967 1.00 43.19 C +ATOM 376 C VAL A 50 54.857 31.505 -15.411 1.00 45.29 C +ATOM 377 O VAL A 50 55.701 31.288 -16.285 1.00 45.57 O +ATOM 378 CB VAL A 50 55.186 30.250 -13.240 1.00 42.53 C +ATOM 379 CG1 VAL A 50 55.827 29.117 -14.021 1.00 42.41 C +ATOM 380 CG2 VAL A 50 55.833 30.356 -11.864 1.00 42.39 C +ATOM 381 N GLN A 51 53.580 31.717 -15.706 1.00 47.81 N +ATOM 382 CA GLN A 51 53.107 31.676 -17.088 1.00 50.36 C +ATOM 383 C GLN A 51 53.741 32.792 -17.910 1.00 51.46 C +ATOM 384 O GLN A 51 54.226 32.554 -19.015 1.00 51.60 O +ATOM 385 CB GLN A 51 51.584 31.739 -17.153 1.00 51.13 C +ATOM 386 CG GLN A 51 50.934 30.409 -16.778 1.00 52.41 C +ATOM 387 CD GLN A 51 49.421 30.518 -16.720 1.00 53.20 C +ATOM 388 OE1 GLN A 51 48.882 31.500 -16.196 1.00 53.54 O +ATOM 389 NE2 GLN A 51 48.743 29.511 -17.265 1.00 53.43 N +ATOM 390 N ASP A 52 53.809 33.993 -17.351 1.00 52.67 N +ATOM 391 CA ASP A 52 54.450 35.124 -17.999 1.00 54.11 C +ATOM 392 C ASP A 52 55.888 34.787 -18.376 1.00 54.63 C +ATOM 393 O ASP A 52 56.330 34.994 -19.503 1.00 54.83 O +ATOM 394 CB ASP A 52 54.468 36.323 -17.052 1.00 55.09 C +ATOM 395 CG ASP A 52 53.977 37.611 -17.669 1.00 56.00 C +ATOM 396 OD1 ASP A 52 53.708 37.648 -18.888 1.00 56.32 O +ATOM 397 OD2 ASP A 52 53.853 38.602 -16.915 1.00 56.60 O +ATOM 398 N LEU A 53 56.634 34.237 -17.424 1.00 55.02 N +ATOM 399 CA LEU A 53 58.011 33.845 -17.648 1.00 55.54 C +ATOM 400 C LEU A 53 58.185 32.767 -18.708 1.00 56.27 C +ATOM 401 O LEU A 53 59.181 32.821 -19.438 1.00 56.34 O +ATOM 402 CB LEU A 53 58.637 33.377 -16.326 1.00 54.99 C +ATOM 403 CG LEU A 53 58.986 34.495 -15.343 1.00 54.74 C +ATOM 404 CD1 LEU A 53 59.386 33.907 -14.001 1.00 54.69 C +ATOM 405 CD2 LEU A 53 60.092 35.383 -15.894 1.00 54.64 C +ATOM 406 N THR A 54 57.290 31.791 -18.800 1.00 57.33 N +ATOM 407 CA THR A 54 57.415 30.721 -19.773 1.00 58.37 C +ATOM 408 C THR A 54 57.377 31.251 -21.201 1.00 59.13 C +ATOM 409 O THR A 54 58.250 30.922 -22.010 1.00 59.46 O +ATOM 410 CB THR A 54 56.345 29.618 -19.659 1.00 58.48 C +ATOM 411 OG1 THR A 54 55.043 30.201 -19.794 1.00 58.60 O +ATOM 412 CG2 THR A 54 56.447 28.874 -18.340 1.00 58.44 C +ATOM 413 N VAL A 55 56.410 32.111 -21.503 1.00 59.82 N +ATOM 414 CA VAL A 55 56.277 32.668 -22.846 1.00 60.55 C +ATOM 415 C VAL A 55 57.376 33.657 -23.199 1.00 61.02 C +ATOM 416 O VAL A 55 57.577 33.976 -24.374 1.00 61.39 O +ATOM 417 CB VAL A 55 54.892 33.303 -23.072 1.00 60.77 C +ATOM 418 CG1 VAL A 55 53.807 32.229 -23.044 1.00 60.83 C +ATOM 419 CG2 VAL A 55 54.594 34.383 -22.045 1.00 60.70 C +ATOM 420 N ARG A 56 58.149 34.128 -22.229 1.00 61.36 N +ATOM 421 CA ARG A 56 59.252 35.045 -22.447 1.00 61.59 C +ATOM 422 C ARG A 56 60.588 34.312 -22.486 1.00 61.04 C +ATOM 423 O ARG A 56 61.663 34.886 -22.296 1.00 61.15 O +ATOM 424 CB ARG A 56 59.249 36.133 -21.370 1.00 62.66 C +ATOM 425 CG ARG A 56 57.989 36.996 -21.396 1.00 63.94 C +ATOM 426 CD ARG A 56 58.146 38.236 -20.528 1.00 64.90 C +ATOM 427 NE ARG A 56 58.716 37.911 -19.225 1.00 65.85 N +ATOM 428 CZ ARG A 56 58.997 38.779 -18.270 1.00 66.32 C +ATOM 429 NH1 ARG A 56 58.734 40.073 -18.418 1.00 66.45 N +ATOM 430 NH2 ARG A 56 59.508 38.377 -17.110 1.00 66.55 N +ATOM 431 N GLY A 57 60.542 33.012 -22.755 1.00 60.00 N +ATOM 432 CA GLY A 57 61.692 32.156 -22.878 1.00 58.78 C +ATOM 433 C GLY A 57 62.773 32.333 -21.830 1.00 57.74 C +ATOM 434 O GLY A 57 63.915 32.660 -22.161 1.00 58.14 O +ATOM 435 N THR A 58 62.441 32.096 -20.567 1.00 55.98 N +ATOM 436 CA THR A 58 63.403 32.194 -19.477 1.00 54.05 C +ATOM 437 C THR A 58 64.240 30.922 -19.472 1.00 52.39 C +ATOM 438 O THR A 58 63.663 29.852 -19.667 1.00 52.53 O +ATOM 439 CB THR A 58 62.700 32.332 -18.116 1.00 54.06 C +ATOM 440 OG1 THR A 58 61.686 33.334 -18.211 1.00 54.30 O +ATOM 441 CG2 THR A 58 63.703 32.710 -17.047 1.00 54.06 C +ATOM 442 N LYS A 59 65.538 31.037 -19.249 1.00 50.45 N +ATOM 443 CA LYS A 59 66.389 29.846 -19.272 1.00 48.49 C +ATOM 444 C LYS A 59 66.166 28.964 -18.059 1.00 46.40 C +ATOM 445 O LYS A 59 66.073 27.741 -18.214 1.00 45.92 O +ATOM 446 CB LYS A 59 67.855 30.248 -19.441 1.00 49.18 C +ATOM 447 CG LYS A 59 68.096 31.174 -20.621 1.00 49.97 C +ATOM 448 CD LYS A 59 68.443 30.410 -21.887 1.00 50.68 C +ATOM 449 CE LYS A 59 69.299 31.240 -22.834 1.00 50.92 C +ATOM 450 NZ LYS A 59 68.539 31.671 -24.042 1.00 51.02 N +ATOM 451 N ILE A 60 66.152 29.510 -16.847 1.00 43.79 N +ATOM 452 CA ILE A 60 65.928 28.719 -15.645 1.00 41.54 C +ATOM 453 C ILE A 60 64.910 29.447 -14.758 1.00 39.75 C +ATOM 454 O ILE A 60 64.893 30.680 -14.731 1.00 39.51 O +ATOM 455 CB ILE A 60 67.164 28.463 -14.771 1.00 41.86 C +ATOM 456 CG1 ILE A 60 68.377 27.926 -15.508 1.00 42.23 C +ATOM 457 CG2 ILE A 60 66.824 27.494 -13.637 1.00 41.74 C +ATOM 458 CD1 ILE A 60 68.318 26.490 -15.958 1.00 42.31 C +ATOM 459 N LEU A 61 64.100 28.704 -14.019 1.00 37.54 N +ATOM 460 CA LEU A 61 63.147 29.305 -13.101 1.00 35.64 C +ATOM 461 C LEU A 61 63.504 29.001 -11.642 1.00 33.98 C +ATOM 462 O LEU A 61 63.448 27.853 -11.196 1.00 34.16 O +ATOM 463 CB LEU A 61 61.712 28.847 -13.366 1.00 35.91 C +ATOM 464 CG LEU A 61 60.706 29.184 -12.256 1.00 36.36 C +ATOM 465 CD1 LEU A 61 60.149 30.585 -12.459 1.00 36.31 C +ATOM 466 CD2 LEU A 61 59.587 28.155 -12.184 1.00 36.72 C +ATOM 467 N LEU A 62 63.850 30.055 -10.904 1.00 31.33 N +ATOM 468 CA LEU A 62 64.110 29.913 -9.474 1.00 29.87 C +ATOM 469 C LEU A 62 62.762 30.287 -8.831 1.00 28.92 C +ATOM 470 O LEU A 62 62.316 31.416 -9.050 1.00 28.61 O +ATOM 471 CB LEU A 62 65.187 30.836 -8.940 1.00 29.38 C +ATOM 472 CG LEU A 62 66.650 30.615 -9.293 1.00 28.91 C +ATOM 473 CD1 LEU A 62 67.501 31.695 -8.629 1.00 28.89 C +ATOM 474 CD2 LEU A 62 67.129 29.245 -8.857 1.00 28.55 C +ATOM 475 N ILE A 63 62.120 29.355 -8.143 1.00 27.78 N +ATOM 476 CA ILE A 63 60.825 29.699 -7.562 1.00 27.22 C +ATOM 477 C ILE A 63 60.790 29.421 -6.073 1.00 26.53 C +ATOM 478 O ILE A 63 61.153 28.355 -5.583 1.00 26.87 O +ATOM 479 CB ILE A 63 59.667 29.036 -8.318 1.00 27.38 C +ATOM 480 CG1 ILE A 63 58.328 29.452 -7.698 1.00 27.79 C +ATOM 481 CG2 ILE A 63 59.778 27.520 -8.310 1.00 27.59 C +ATOM 482 CD1 ILE A 63 57.132 29.107 -8.543 1.00 27.95 C +ATOM 483 N ASN A 64 60.360 30.435 -5.321 1.00 25.80 N +ATOM 484 CA ASN A 64 60.185 30.319 -3.864 1.00 25.40 C +ATOM 485 C ASN A 64 58.671 30.236 -3.674 1.00 25.53 C +ATOM 486 O ASN A 64 57.961 31.242 -3.751 1.00 25.34 O +ATOM 487 CB ASN A 64 60.808 31.512 -3.148 1.00 24.76 C +ATOM 488 CG ASN A 64 60.173 31.817 -1.804 1.00 24.35 C +ATOM 489 OD1 ASN A 64 59.689 32.925 -1.573 1.00 24.23 O +ATOM 490 ND2 ASN A 64 60.159 30.827 -0.921 1.00 23.68 N +ATOM 491 N PRO A 65 58.145 29.023 -3.575 1.00 26.15 N +ATOM 492 CA PRO A 65 56.717 28.803 -3.495 1.00 26.46 C +ATOM 493 C PRO A 65 56.026 29.555 -2.377 1.00 26.92 C +ATOM 494 O PRO A 65 56.561 29.630 -1.273 1.00 26.57 O +ATOM 495 CB PRO A 65 56.576 27.299 -3.259 1.00 26.61 C +ATOM 496 CG PRO A 65 57.863 26.693 -3.676 1.00 26.35 C +ATOM 497 CD PRO A 65 58.908 27.754 -3.494 1.00 26.28 C +ATOM 498 N THR A 66 54.802 30.035 -2.629 1.00 27.47 N +ATOM 499 CA THR A 66 54.034 30.650 -1.539 1.00 28.17 C +ATOM 500 C THR A 66 53.596 29.506 -0.622 1.00 28.22 C +ATOM 501 O THR A 66 53.619 29.632 0.600 1.00 28.24 O +ATOM 502 CB THR A 66 52.824 31.453 -2.015 1.00 28.81 C +ATOM 503 OG1 THR A 66 51.888 30.605 -2.694 1.00 29.12 O +ATOM 504 CG2 THR A 66 53.269 32.542 -2.985 1.00 28.51 C +ATOM 505 N ASP A 67 53.261 28.368 -1.232 1.00 28.03 N +ATOM 506 CA ASP A 67 52.862 27.172 -0.492 1.00 28.36 C +ATOM 507 C ASP A 67 53.283 25.920 -1.256 1.00 28.32 C +ATOM 508 O ASP A 67 53.103 25.812 -2.474 1.00 28.08 O +ATOM 509 CB ASP A 67 51.356 27.211 -0.232 1.00 28.09 C +ATOM 510 CG ASP A 67 50.804 25.913 0.337 1.00 27.94 C +ATOM 511 OD1 ASP A 67 50.563 24.976 -0.456 1.00 27.21 O +ATOM 512 OD2 ASP A 67 50.620 25.863 1.572 1.00 27.81 O +ATOM 513 N SER A 68 53.844 24.940 -0.562 1.00 28.93 N +ATOM 514 CA SER A 68 54.347 23.721 -1.175 1.00 29.91 C +ATOM 515 C SER A 68 53.325 22.962 -2.012 1.00 31.10 C +ATOM 516 O SER A 68 53.621 22.478 -3.111 1.00 30.79 O +ATOM 517 CB SER A 68 54.907 22.806 -0.081 1.00 29.72 C +ATOM 518 OG SER A 68 56.139 23.309 0.408 1.00 30.18 O +ATOM 519 N ASP A 69 52.102 22.831 -1.488 1.00 31.76 N +ATOM 520 CA ASP A 69 51.040 22.125 -2.185 1.00 32.57 C +ATOM 521 C ASP A 69 50.435 22.927 -3.322 1.00 32.41 C +ATOM 522 O ASP A 69 50.129 22.336 -4.364 1.00 31.84 O +ATOM 523 CB ASP A 69 49.967 21.700 -1.169 1.00 33.72 C +ATOM 524 CG ASP A 69 50.523 20.664 -0.213 1.00 34.69 C +ATOM 525 OD1 ASP A 69 51.006 19.622 -0.702 1.00 35.54 O +ATOM 526 OD2 ASP A 69 50.503 20.857 1.015 1.00 35.24 O +ATOM 527 N ALA A 70 50.285 24.242 -3.180 1.00 32.39 N +ATOM 528 CA ALA A 70 49.677 25.077 -4.205 1.00 32.43 C +ATOM 529 C ALA A 70 50.532 25.359 -5.430 1.00 32.72 C +ATOM 530 O ALA A 70 50.017 25.633 -6.523 1.00 32.79 O +ATOM 531 CB ALA A 70 49.247 26.410 -3.596 1.00 32.52 C +ATOM 532 N VAL A 71 51.850 25.279 -5.300 1.00 32.50 N +ATOM 533 CA VAL A 71 52.784 25.537 -6.389 1.00 32.48 C +ATOM 534 C VAL A 71 52.846 24.448 -7.444 1.00 33.27 C +ATOM 535 O VAL A 71 53.362 24.684 -8.542 1.00 32.84 O +ATOM 536 CB VAL A 71 54.199 25.819 -5.823 1.00 31.94 C +ATOM 537 CG1 VAL A 71 54.880 24.543 -5.353 1.00 31.24 C +ATOM 538 CG2 VAL A 71 55.056 26.555 -6.841 1.00 31.18 C +ATOM 539 N GLY A 72 52.327 23.257 -7.175 1.00 34.20 N +ATOM 540 CA GLY A 72 52.314 22.142 -8.095 1.00 34.90 C +ATOM 541 C GLY A 72 52.070 22.479 -9.552 1.00 35.60 C +ATOM 542 O GLY A 72 52.886 22.137 -10.420 1.00 35.74 O +ATOM 543 N ASN A 73 50.959 23.131 -9.866 1.00 36.59 N +ATOM 544 CA ASN A 73 50.606 23.479 -11.233 1.00 37.55 C +ATOM 545 C ASN A 73 51.563 24.490 -11.840 1.00 38.18 C +ATOM 546 O ASN A 73 51.869 24.395 -13.034 1.00 38.41 O +ATOM 547 CB ASN A 73 49.158 23.962 -11.308 1.00 38.19 C +ATOM 548 CG ASN A 73 48.184 22.796 -11.244 1.00 39.10 C +ATOM 549 OD1 ASN A 73 48.515 21.638 -11.491 1.00 38.94 O +ATOM 550 ND2 ASN A 73 46.943 23.102 -10.896 1.00 39.51 N +ATOM 551 N ALA A 74 52.072 25.434 -11.051 1.00 38.46 N +ATOM 552 CA ALA A 74 53.038 26.411 -11.547 1.00 39.23 C +ATOM 553 C ALA A 74 54.308 25.705 -12.013 1.00 39.78 C +ATOM 554 O ALA A 74 54.834 25.987 -13.094 1.00 39.64 O +ATOM 555 CB ALA A 74 53.330 27.454 -10.482 1.00 39.04 C +ATOM 556 N VAL A 75 54.785 24.741 -11.227 1.00 40.65 N +ATOM 557 CA VAL A 75 55.935 23.941 -11.606 1.00 42.12 C +ATOM 558 C VAL A 75 55.643 23.161 -12.885 1.00 44.04 C +ATOM 559 O VAL A 75 56.506 23.099 -13.762 1.00 44.33 O +ATOM 560 CB VAL A 75 56.348 22.959 -10.499 1.00 41.46 C +ATOM 561 CG1 VAL A 75 57.502 22.078 -10.948 1.00 40.92 C +ATOM 562 CG2 VAL A 75 56.722 23.723 -9.239 1.00 40.90 C +ATOM 563 N LYS A 76 54.436 22.616 -13.033 1.00 45.82 N +ATOM 564 CA LYS A 76 54.052 21.871 -14.223 1.00 47.58 C +ATOM 565 C LYS A 76 54.040 22.714 -15.486 1.00 48.88 C +ATOM 566 O LYS A 76 54.342 22.151 -16.546 1.00 49.32 O +ATOM 567 CB LYS A 76 52.702 21.165 -14.029 1.00 47.58 C +ATOM 568 CG LYS A 76 52.826 19.859 -13.261 1.00 47.69 C +ATOM 569 CD LYS A 76 51.537 19.488 -12.546 1.00 48.02 C +ATOM 570 CE LYS A 76 51.644 18.115 -11.890 1.00 48.13 C +ATOM 571 NZ LYS A 76 50.355 17.685 -11.280 1.00 48.09 N +ATOM 572 N MET A 77 53.755 24.013 -15.427 1.00 50.27 N +ATOM 573 CA MET A 77 53.807 24.849 -16.623 1.00 51.84 C +ATOM 574 C MET A 77 55.264 24.968 -17.086 1.00 52.22 C +ATOM 575 O MET A 77 55.565 24.905 -18.274 1.00 52.36 O +ATOM 576 CB MET A 77 53.237 26.244 -16.415 1.00 52.96 C +ATOM 577 CG MET A 77 51.920 26.304 -15.667 1.00 54.48 C +ATOM 578 SD MET A 77 50.502 26.576 -16.738 1.00 56.47 S +ATOM 579 CE MET A 77 49.649 24.994 -16.550 1.00 55.29 C +ATOM 580 N ALA A 78 56.172 25.113 -16.123 1.00 52.55 N +ATOM 581 CA ALA A 78 57.598 25.196 -16.379 1.00 52.86 C +ATOM 582 C ALA A 78 58.145 23.869 -16.892 1.00 53.05 C +ATOM 583 O ALA A 78 58.943 23.827 -17.830 1.00 52.87 O +ATOM 584 CB ALA A 78 58.329 25.593 -15.099 1.00 52.69 C +ATOM 585 N ASN A 79 57.720 22.761 -16.295 1.00 53.53 N +ATOM 586 CA ASN A 79 58.126 21.424 -16.691 1.00 53.94 C +ATOM 587 C ASN A 79 57.764 21.136 -18.147 1.00 54.46 C +ATOM 588 O ASN A 79 58.550 20.542 -18.889 1.00 54.35 O +ATOM 589 CB ASN A 79 57.450 20.381 -15.805 1.00 53.84 C +ATOM 590 CG ASN A 79 58.042 20.204 -14.430 1.00 53.77 C +ATOM 591 OD1 ASN A 79 57.446 19.522 -13.586 1.00 53.42 O +ATOM 592 ND2 ASN A 79 59.205 20.787 -14.161 1.00 53.61 N +ATOM 593 N GLN A 80 56.576 21.574 -18.566 1.00 55.03 N +ATOM 594 CA GLN A 80 56.116 21.352 -19.925 1.00 55.67 C +ATOM 595 C GLN A 80 56.809 22.255 -20.937 1.00 55.21 C +ATOM 596 O GLN A 80 57.034 21.888 -22.093 1.00 55.52 O +ATOM 597 CB GLN A 80 54.601 21.550 -20.064 1.00 56.67 C +ATOM 598 CG GLN A 80 54.085 20.814 -21.298 1.00 57.95 C +ATOM 599 CD GLN A 80 52.616 21.076 -21.554 1.00 58.92 C +ATOM 600 OE1 GLN A 80 52.067 22.104 -21.143 1.00 59.32 O +ATOM 601 NE2 GLN A 80 51.980 20.126 -22.240 1.00 59.27 N +ATOM 602 N ALA A 81 57.184 23.440 -20.471 1.00 54.36 N +ATOM 603 CA ALA A 81 57.889 24.409 -21.302 1.00 53.28 C +ATOM 604 C ALA A 81 59.382 24.114 -21.336 1.00 52.43 C +ATOM 605 O ALA A 81 60.158 24.788 -22.014 1.00 52.80 O +ATOM 606 CB ALA A 81 57.631 25.820 -20.791 1.00 53.35 C +ATOM 607 N ASN A 82 59.830 23.133 -20.566 1.00 51.05 N +ATOM 608 CA ASN A 82 61.200 22.682 -20.503 1.00 49.85 C +ATOM 609 C ASN A 82 62.158 23.638 -19.814 1.00 48.16 C +ATOM 610 O ASN A 82 63.366 23.626 -20.058 1.00 48.44 O +ATOM 611 CB ASN A 82 61.698 22.345 -21.921 1.00 50.76 C +ATOM 612 CG ASN A 82 61.723 20.834 -22.095 1.00 51.55 C +ATOM 613 OD1 ASN A 82 62.518 20.167 -21.432 1.00 51.86 O +ATOM 614 ND2 ASN A 82 60.858 20.318 -22.954 1.00 51.79 N +ATOM 615 N ILE A 83 61.639 24.455 -18.912 1.00 45.78 N +ATOM 616 CA ILE A 83 62.438 25.391 -18.136 1.00 43.17 C +ATOM 617 C ILE A 83 62.778 24.753 -16.797 1.00 41.35 C +ATOM 618 O ILE A 83 61.906 24.492 -15.971 1.00 41.36 O +ATOM 619 CB ILE A 83 61.675 26.713 -17.945 1.00 42.98 C +ATOM 620 CG1 ILE A 83 61.304 27.281 -19.317 1.00 42.66 C +ATOM 621 CG2 ILE A 83 62.506 27.711 -17.158 1.00 42.74 C +ATOM 622 CD1 ILE A 83 60.185 28.290 -19.272 1.00 42.48 C +ATOM 623 N PRO A 84 64.053 24.440 -16.593 1.00 39.66 N +ATOM 624 CA PRO A 84 64.509 23.824 -15.356 1.00 38.07 C +ATOM 625 C PRO A 84 63.988 24.617 -14.165 1.00 36.38 C +ATOM 626 O PRO A 84 63.901 25.847 -14.207 1.00 35.96 O +ATOM 627 CB PRO A 84 66.024 23.837 -15.464 1.00 38.44 C +ATOM 628 CG PRO A 84 66.313 23.931 -16.918 1.00 38.78 C +ATOM 629 CD PRO A 84 65.174 24.715 -17.519 1.00 39.19 C +ATOM 630 N VAL A 85 63.562 23.917 -13.124 1.00 34.00 N +ATOM 631 CA VAL A 85 63.006 24.543 -11.937 1.00 31.70 C +ATOM 632 C VAL A 85 63.900 24.241 -10.743 1.00 30.20 C +ATOM 633 O VAL A 85 64.356 23.119 -10.540 1.00 29.59 O +ATOM 634 CB VAL A 85 61.582 24.046 -11.613 1.00 31.78 C +ATOM 635 CG1 VAL A 85 61.048 24.670 -10.330 1.00 31.32 C +ATOM 636 CG2 VAL A 85 60.629 24.353 -12.758 1.00 31.56 C +ATOM 637 N ILE A 86 64.172 25.289 -9.973 1.00 28.41 N +ATOM 638 CA ILE A 86 64.945 25.160 -8.741 1.00 26.51 C +ATOM 639 C ILE A 86 64.087 25.816 -7.649 1.00 25.83 C +ATOM 640 O ILE A 86 63.658 26.958 -7.833 1.00 25.25 O +ATOM 641 CB ILE A 86 66.328 25.809 -8.811 1.00 26.06 C +ATOM 642 CG1 ILE A 86 67.257 25.089 -9.799 1.00 26.23 C +ATOM 643 CG2 ILE A 86 66.995 25.829 -7.435 1.00 25.37 C +ATOM 644 CD1 ILE A 86 68.532 25.857 -10.075 1.00 26.05 C +ATOM 645 N THR A 87 63.797 25.094 -6.571 1.00 25.08 N +ATOM 646 CA THR A 87 62.981 25.671 -5.507 1.00 24.40 C +ATOM 647 C THR A 87 63.846 26.240 -4.389 1.00 24.28 C +ATOM 648 O THR A 87 64.953 25.775 -4.105 1.00 23.80 O +ATOM 649 CB THR A 87 61.987 24.674 -4.890 1.00 24.16 C +ATOM 650 OG1 THR A 87 62.699 23.534 -4.398 1.00 23.48 O +ATOM 651 CG2 THR A 87 60.933 24.278 -5.903 1.00 23.89 C +ATOM 652 N LEU A 88 63.324 27.299 -3.776 1.00 24.02 N +ATOM 653 CA LEU A 88 64.034 27.991 -2.706 1.00 24.03 C +ATOM 654 C LEU A 88 63.172 28.041 -1.459 1.00 24.72 C +ATOM 655 O LEU A 88 61.996 28.404 -1.560 1.00 24.97 O +ATOM 656 CB LEU A 88 64.399 29.412 -3.130 1.00 22.76 C +ATOM 657 CG LEU A 88 65.168 29.620 -4.433 1.00 22.81 C +ATOM 658 CD1 LEU A 88 65.419 31.110 -4.681 1.00 22.36 C +ATOM 659 CD2 LEU A 88 66.495 28.869 -4.395 1.00 21.59 C +ATOM 660 N ASP A 89 63.699 27.659 -0.307 1.00 25.87 N +ATOM 661 CA ASP A 89 63.029 27.700 0.975 1.00 27.33 C +ATOM 662 C ASP A 89 61.940 26.659 1.163 1.00 28.24 C +ATOM 663 O ASP A 89 62.028 25.876 2.111 1.00 28.16 O +ATOM 664 CB ASP A 89 62.477 29.110 1.263 1.00 28.21 C +ATOM 665 CG ASP A 89 62.074 29.293 2.712 1.00 29.16 C +ATOM 666 OD1 ASP A 89 62.868 28.980 3.628 1.00 29.42 O +ATOM 667 OD2 ASP A 89 60.934 29.743 2.962 1.00 30.03 O +ATOM 668 N ARG A 90 60.916 26.634 0.338 1.00 29.60 N +ATOM 669 CA ARG A 90 59.818 25.691 0.414 1.00 31.34 C +ATOM 670 C ARG A 90 59.879 24.712 -0.758 1.00 31.49 C +ATOM 671 O ARG A 90 60.166 25.124 -1.877 1.00 31.02 O +ATOM 672 CB ARG A 90 58.472 26.424 0.382 1.00 32.24 C +ATOM 673 CG ARG A 90 57.974 26.906 1.727 1.00 33.92 C +ATOM 674 CD ARG A 90 56.614 27.592 1.657 1.00 34.88 C +ATOM 675 NE ARG A 90 56.524 28.629 2.683 1.00 36.34 N +ATOM 676 CZ ARG A 90 56.631 29.934 2.450 1.00 37.29 C +ATOM 677 NH1 ARG A 90 56.811 30.396 1.216 1.00 37.57 N +ATOM 678 NH2 ARG A 90 56.553 30.823 3.437 1.00 37.36 N +ATOM 679 N GLN A 91 59.676 23.427 -0.494 1.00 32.46 N +ATOM 680 CA GLN A 91 59.716 22.422 -1.547 1.00 33.94 C +ATOM 681 C GLN A 91 58.410 22.433 -2.342 1.00 33.72 C +ATOM 682 O GLN A 91 57.391 22.903 -1.841 1.00 33.36 O +ATOM 683 CB GLN A 91 59.875 21.025 -0.955 1.00 35.80 C +ATOM 684 CG GLN A 91 61.282 20.527 -0.719 1.00 38.09 C +ATOM 685 CD GLN A 91 61.314 19.218 0.050 1.00 39.61 C +ATOM 686 OE1 GLN A 91 62.334 18.820 0.617 1.00 40.37 O +ATOM 687 NE2 GLN A 91 60.186 18.510 0.101 1.00 40.36 N +ATOM 688 N ALA A 92 58.445 21.921 -3.558 1.00 33.53 N +ATOM 689 CA ALA A 92 57.232 21.786 -4.362 1.00 33.80 C +ATOM 690 C ALA A 92 56.755 20.333 -4.235 1.00 34.23 C +ATOM 691 O ALA A 92 57.477 19.406 -4.595 1.00 34.05 O +ATOM 692 CB ALA A 92 57.457 22.159 -5.811 1.00 33.16 C +ATOM 693 N THR A 93 55.576 20.115 -3.680 1.00 34.60 N +ATOM 694 CA THR A 93 55.029 18.774 -3.498 1.00 34.94 C +ATOM 695 C THR A 93 54.924 18.004 -4.808 1.00 35.41 C +ATOM 696 O THR A 93 55.369 16.857 -4.878 1.00 35.30 O +ATOM 697 CB THR A 93 53.656 18.854 -2.807 1.00 34.96 C +ATOM 698 OG1 THR A 93 53.833 19.502 -1.536 1.00 34.92 O +ATOM 699 CG2 THR A 93 53.084 17.471 -2.553 1.00 35.08 C +ATOM 700 N LYS A 94 54.377 18.615 -5.844 1.00 36.04 N +ATOM 701 CA LYS A 94 54.240 17.991 -7.143 1.00 37.14 C +ATOM 702 C LYS A 94 55.089 18.737 -8.176 1.00 37.12 C +ATOM 703 O LYS A 94 55.350 19.923 -7.987 1.00 37.21 O +ATOM 704 CB LYS A 94 52.788 17.993 -7.633 1.00 38.03 C +ATOM 705 CG LYS A 94 51.701 17.454 -6.736 1.00 39.42 C +ATOM 706 CD LYS A 94 51.417 15.975 -6.903 1.00 40.59 C +ATOM 707 CE LYS A 94 50.844 15.601 -8.254 1.00 41.23 C +ATOM 708 NZ LYS A 94 51.052 14.165 -8.599 1.00 41.21 N +ATOM 709 N GLY A 95 55.449 18.082 -9.272 1.00 36.84 N +ATOM 710 CA GLY A 95 56.219 18.733 -10.332 1.00 36.72 C +ATOM 711 C GLY A 95 57.687 18.323 -10.283 1.00 36.38 C +ATOM 712 O GLY A 95 58.195 17.937 -9.229 1.00 36.49 O +ATOM 713 N GLU A 96 58.363 18.403 -11.419 1.00 36.11 N +ATOM 714 CA GLU A 96 59.772 18.019 -11.505 1.00 36.03 C +ATOM 715 C GLU A 96 60.670 19.218 -11.216 1.00 34.39 C +ATOM 716 O GLU A 96 60.627 20.258 -11.865 1.00 33.97 O +ATOM 717 CB GLU A 96 60.082 17.442 -12.885 1.00 37.78 C +ATOM 718 CG GLU A 96 58.969 16.581 -13.466 1.00 40.04 C +ATOM 719 CD GLU A 96 59.313 16.051 -14.848 1.00 41.87 C +ATOM 720 OE1 GLU A 96 60.402 15.440 -14.974 1.00 42.40 O +ATOM 721 OE2 GLU A 96 58.496 16.253 -15.783 1.00 42.54 O +ATOM 722 N VAL A 97 61.466 19.072 -10.177 1.00 33.05 N +ATOM 723 CA VAL A 97 62.385 20.104 -9.698 1.00 31.49 C +ATOM 724 C VAL A 97 63.820 19.613 -9.836 1.00 30.37 C +ATOM 725 O VAL A 97 64.117 18.483 -9.416 1.00 30.03 O +ATOM 726 CB VAL A 97 62.048 20.425 -8.229 1.00 31.39 C +ATOM 727 CG1 VAL A 97 63.097 21.286 -7.551 1.00 31.19 C +ATOM 728 CG2 VAL A 97 60.682 21.094 -8.119 1.00 31.14 C +ATOM 729 N VAL A 98 64.716 20.441 -10.392 1.00 28.90 N +ATOM 730 CA VAL A 98 66.098 19.998 -10.559 1.00 27.30 C +ATOM 731 C VAL A 98 66.885 20.045 -9.263 1.00 26.00 C +ATOM 732 O VAL A 98 67.787 19.211 -9.078 1.00 26.38 O +ATOM 733 CB VAL A 98 66.840 20.794 -11.642 1.00 28.12 C +ATOM 734 CG1 VAL A 98 68.195 20.153 -11.925 1.00 28.48 C +ATOM 735 CG2 VAL A 98 66.012 20.874 -12.919 1.00 27.95 C +ATOM 736 N SER A 99 66.590 21.008 -8.393 1.00 23.87 N +ATOM 737 CA SER A 99 67.320 21.145 -7.136 1.00 21.54 C +ATOM 738 C SER A 99 66.520 22.012 -6.163 1.00 21.21 C +ATOM 739 O SER A 99 65.761 22.891 -6.574 1.00 19.95 O +ATOM 740 CB SER A 99 68.726 21.732 -7.307 1.00 20.56 C +ATOM 741 OG SER A 99 69.510 21.553 -6.124 1.00 19.13 O +ATOM 742 N HIS A 100 66.697 21.722 -4.878 1.00 20.95 N +ATOM 743 CA HIS A 100 65.974 22.451 -3.840 1.00 21.40 C +ATOM 744 C HIS A 100 66.989 23.030 -2.861 1.00 21.79 C +ATOM 745 O HIS A 100 67.848 22.304 -2.343 1.00 21.40 O +ATOM 746 CB HIS A 100 64.961 21.532 -3.134 1.00 21.21 C +ATOM 747 CG HIS A 100 64.387 22.165 -1.900 1.00 20.60 C +ATOM 748 ND1 HIS A 100 63.566 23.273 -1.948 1.00 20.41 N +ATOM 749 CD2 HIS A 100 64.546 21.851 -0.591 1.00 20.65 C +ATOM 750 CE1 HIS A 100 63.255 23.610 -0.713 1.00 20.48 C +ATOM 751 NE2 HIS A 100 63.821 22.774 0.132 1.00 21.03 N +ATOM 752 N ILE A 101 66.908 24.339 -2.661 1.00 21.86 N +ATOM 753 CA ILE A 101 67.850 25.025 -1.778 1.00 21.98 C +ATOM 754 C ILE A 101 67.100 25.634 -0.599 1.00 22.43 C +ATOM 755 O ILE A 101 66.244 26.505 -0.766 1.00 22.48 O +ATOM 756 CB ILE A 101 68.625 26.113 -2.549 1.00 21.91 C +ATOM 757 CG1 ILE A 101 69.608 25.427 -3.512 1.00 22.89 C +ATOM 758 CG2 ILE A 101 69.385 27.045 -1.623 1.00 20.97 C +ATOM 759 CD1 ILE A 101 69.420 25.790 -4.959 1.00 23.73 C +ATOM 760 N ALA A 102 67.440 25.183 0.596 1.00 22.36 N +ATOM 761 CA ALA A 102 66.790 25.676 1.808 1.00 22.87 C +ATOM 762 C ALA A 102 67.819 25.655 2.933 1.00 23.15 C +ATOM 763 O ALA A 102 68.945 25.201 2.713 1.00 22.93 O +ATOM 764 CB ALA A 102 65.587 24.827 2.202 1.00 23.03 C +ATOM 765 N SER A 103 67.414 26.150 4.100 1.00 22.98 N +ATOM 766 CA SER A 103 68.323 26.160 5.227 1.00 23.29 C +ATOM 767 C SER A 103 68.590 24.727 5.669 1.00 23.67 C +ATOM 768 O SER A 103 67.764 23.820 5.538 1.00 23.96 O +ATOM 769 CB SER A 103 67.765 26.968 6.389 1.00 23.56 C +ATOM 770 OG SER A 103 67.581 28.324 5.991 1.00 23.91 O +ATOM 771 N ASP A 104 69.749 24.569 6.297 1.00 23.12 N +ATOM 772 CA ASP A 104 70.089 23.255 6.847 1.00 22.90 C +ATOM 773 C ASP A 104 69.397 23.148 8.200 1.00 22.63 C +ATOM 774 O ASP A 104 70.002 23.303 9.263 1.00 22.31 O +ATOM 775 CB ASP A 104 71.597 23.077 6.885 1.00 23.20 C +ATOM 776 CG ASP A 104 72.042 21.633 7.015 1.00 24.21 C +ATOM 777 OD1 ASP A 104 71.223 20.797 7.467 1.00 24.23 O +ATOM 778 OD2 ASP A 104 73.210 21.326 6.686 1.00 24.00 O +ATOM 779 N ASN A 105 68.103 22.822 8.176 1.00 22.15 N +ATOM 780 CA ASN A 105 67.298 22.643 9.380 1.00 21.87 C +ATOM 781 C ASN A 105 67.848 21.532 10.263 1.00 21.64 C +ATOM 782 O ASN A 105 67.841 21.661 11.494 1.00 21.66 O +ATOM 783 CB ASN A 105 65.837 22.396 9.028 1.00 21.52 C +ATOM 784 CG ASN A 105 65.067 23.649 8.675 1.00 21.76 C +ATOM 785 OD1 ASN A 105 65.073 24.652 9.395 1.00 21.90 O +ATOM 786 ND2 ASN A 105 64.369 23.619 7.544 1.00 21.51 N +ATOM 787 N VAL A 106 68.380 20.471 9.653 1.00 21.56 N +ATOM 788 CA VAL A 106 68.985 19.385 10.430 1.00 21.39 C +ATOM 789 C VAL A 106 70.168 19.901 11.235 1.00 21.27 C +ATOM 790 O VAL A 106 70.285 19.685 12.447 1.00 21.40 O +ATOM 791 CB VAL A 106 69.394 18.212 9.527 1.00 21.36 C +ATOM 792 CG1 VAL A 106 69.924 17.056 10.357 1.00 21.30 C +ATOM 793 CG2 VAL A 106 68.219 17.735 8.681 1.00 21.28 C +ATOM 794 N LEU A 107 71.069 20.653 10.598 1.00 21.34 N +ATOM 795 CA LEU A 107 72.220 21.226 11.314 1.00 20.98 C +ATOM 796 C LEU A 107 71.702 22.212 12.353 1.00 20.57 C +ATOM 797 O LEU A 107 72.116 22.215 13.517 1.00 20.98 O +ATOM 798 CB LEU A 107 73.174 21.870 10.319 1.00 21.79 C +ATOM 799 CG LEU A 107 74.375 22.637 10.870 1.00 21.74 C +ATOM 800 CD1 LEU A 107 75.315 21.678 11.590 1.00 21.60 C +ATOM 801 CD2 LEU A 107 75.100 23.356 9.734 1.00 21.46 C +ATOM 802 N GLY A 108 70.718 23.016 11.973 1.00 19.92 N +ATOM 803 CA GLY A 108 70.092 23.944 12.918 1.00 20.59 C +ATOM 804 C GLY A 108 69.696 23.260 14.222 1.00 20.51 C +ATOM 805 O GLY A 108 70.090 23.680 15.313 1.00 21.05 O +ATOM 806 N GLY A 109 68.911 22.178 14.123 1.00 20.48 N +ATOM 807 CA GLY A 109 68.467 21.459 15.314 1.00 19.97 C +ATOM 808 C GLY A 109 69.639 20.892 16.100 1.00 19.52 C +ATOM 809 O GLY A 109 69.590 20.782 17.323 1.00 18.70 O +ATOM 810 N LYS A 110 70.639 20.361 15.389 1.00 20.02 N +ATOM 811 CA LYS A 110 71.800 19.768 16.058 1.00 21.35 C +ATOM 812 C LYS A 110 72.570 20.862 16.804 1.00 21.37 C +ATOM 813 O LYS A 110 72.994 20.706 17.953 1.00 21.09 O +ATOM 814 CB LYS A 110 72.691 19.030 15.061 1.00 22.27 C +ATOM 815 CG LYS A 110 73.893 18.354 15.695 1.00 23.61 C +ATOM 816 CD LYS A 110 74.961 18.002 14.671 1.00 25.22 C +ATOM 817 CE LYS A 110 76.366 18.106 15.259 1.00 26.56 C +ATOM 818 NZ LYS A 110 76.430 17.538 16.649 1.00 27.86 N +ATOM 819 N ILE A 111 72.705 22.012 16.159 1.00 22.07 N +ATOM 820 CA ILE A 111 73.359 23.181 16.762 1.00 23.47 C +ATOM 821 C ILE A 111 72.659 23.559 18.059 1.00 22.72 C +ATOM 822 O ILE A 111 73.294 23.667 19.122 1.00 22.41 O +ATOM 823 CB ILE A 111 73.351 24.348 15.755 1.00 24.62 C +ATOM 824 CG1 ILE A 111 74.477 24.115 14.726 1.00 25.59 C +ATOM 825 CG2 ILE A 111 73.518 25.712 16.401 1.00 25.55 C +ATOM 826 CD1 ILE A 111 74.373 25.107 13.576 1.00 27.05 C +ATOM 827 N ALA A 112 71.335 23.712 17.994 1.00 22.12 N +ATOM 828 CA ALA A 112 70.558 24.048 19.185 1.00 22.21 C +ATOM 829 C ALA A 112 70.802 23.067 20.323 1.00 22.26 C +ATOM 830 O ALA A 112 71.019 23.463 21.477 1.00 21.99 O +ATOM 831 CB ALA A 112 69.081 24.110 18.822 1.00 22.35 C +ATOM 832 N GLY A 113 70.795 21.769 20.012 1.00 22.13 N +ATOM 833 CA GLY A 113 71.036 20.729 20.998 1.00 22.08 C +ATOM 834 C GLY A 113 72.443 20.789 21.564 1.00 22.68 C +ATOM 835 O GLY A 113 72.620 20.659 22.777 1.00 22.75 O +ATOM 836 N ASP A 114 73.445 21.022 20.705 1.00 23.16 N +ATOM 837 CA ASP A 114 74.824 21.123 21.189 1.00 23.88 C +ATOM 838 C ASP A 114 74.946 22.270 22.183 1.00 23.99 C +ATOM 839 O ASP A 114 75.588 22.128 23.222 1.00 24.15 O +ATOM 840 CB ASP A 114 75.810 21.332 20.036 1.00 24.50 C +ATOM 841 CG ASP A 114 75.922 20.116 19.144 1.00 24.62 C +ATOM 842 OD1 ASP A 114 75.717 18.993 19.652 1.00 25.19 O +ATOM 843 OD2 ASP A 114 76.203 20.263 17.943 1.00 24.73 O +ATOM 844 N TYR A 115 74.321 23.406 21.886 1.00 24.08 N +ATOM 845 CA TYR A 115 74.348 24.526 22.817 1.00 24.93 C +ATOM 846 C TYR A 115 73.710 24.144 24.145 1.00 24.45 C +ATOM 847 O TYR A 115 74.317 24.389 25.192 1.00 23.99 O +ATOM 848 CB TYR A 115 73.690 25.762 22.212 1.00 26.29 C +ATOM 849 CG TYR A 115 73.900 27.000 23.069 1.00 28.15 C +ATOM 850 CD1 TYR A 115 75.178 27.468 23.361 1.00 28.59 C +ATOM 851 CD2 TYR A 115 72.812 27.683 23.590 1.00 28.48 C +ATOM 852 CE1 TYR A 115 75.367 28.586 24.158 1.00 29.04 C +ATOM 853 CE2 TYR A 115 72.989 28.799 24.376 1.00 29.27 C +ATOM 854 CZ TYR A 115 74.266 29.247 24.657 1.00 29.58 C +ATOM 855 OH TYR A 115 74.415 30.370 25.448 1.00 30.14 O +ATOM 856 N ILE A 116 72.566 23.455 24.139 1.00 24.07 N +ATOM 857 CA ILE A 116 71.930 23.014 25.385 1.00 23.69 C +ATOM 858 C ILE A 116 72.887 22.140 26.182 1.00 24.02 C +ATOM 859 O ILE A 116 73.008 22.270 27.406 1.00 23.88 O +ATOM 860 CB ILE A 116 70.605 22.279 25.124 1.00 23.31 C +ATOM 861 CG1 ILE A 116 69.503 23.308 24.833 1.00 23.14 C +ATOM 862 CG2 ILE A 116 70.186 21.381 26.276 1.00 22.42 C +ATOM 863 CD1 ILE A 116 68.458 22.806 23.864 1.00 22.84 C +ATOM 864 N ALA A 117 73.596 21.248 25.500 1.00 24.54 N +ATOM 865 CA ALA A 117 74.590 20.398 26.145 1.00 25.48 C +ATOM 866 C ALA A 117 75.674 21.261 26.782 1.00 26.15 C +ATOM 867 O ALA A 117 76.060 21.045 27.928 1.00 26.38 O +ATOM 868 CB ALA A 117 75.203 19.433 25.140 1.00 24.38 C +ATOM 869 N LYS A 118 76.168 22.254 26.042 1.00 26.94 N +ATOM 870 CA LYS A 118 77.194 23.154 26.560 1.00 27.99 C +ATOM 871 C LYS A 118 76.749 23.817 27.851 1.00 27.85 C +ATOM 872 O LYS A 118 77.492 23.769 28.829 1.00 27.27 O +ATOM 873 CB LYS A 118 77.578 24.198 25.513 1.00 28.89 C +ATOM 874 CG LYS A 118 78.854 24.950 25.863 1.00 30.19 C +ATOM 875 CD LYS A 118 79.292 25.870 24.733 1.00 30.95 C +ATOM 876 CE LYS A 118 80.181 26.995 25.246 1.00 31.71 C +ATOM 877 NZ LYS A 118 80.816 27.743 24.119 1.00 31.79 N +ATOM 878 N LYS A 119 75.547 24.378 27.903 1.00 28.75 N +ATOM 879 CA LYS A 119 75.052 25.028 29.113 1.00 29.71 C +ATOM 880 C LYS A 119 74.387 24.132 30.142 1.00 29.79 C +ATOM 881 O LYS A 119 74.614 24.304 31.347 1.00 30.21 O +ATOM 882 CB LYS A 119 74.086 26.163 28.729 1.00 30.50 C +ATOM 883 CG LYS A 119 74.574 27.064 27.611 1.00 31.64 C +ATOM 884 CD LYS A 119 75.959 27.633 27.883 1.00 32.51 C +ATOM 885 CE LYS A 119 75.912 28.731 28.938 1.00 33.46 C +ATOM 886 NZ LYS A 119 77.101 29.629 28.824 1.00 34.30 N +ATOM 887 N ALA A 120 73.536 23.187 29.767 1.00 30.02 N +ATOM 888 CA ALA A 120 72.864 22.318 30.727 1.00 29.84 C +ATOM 889 C ALA A 120 73.664 21.056 31.044 1.00 29.70 C +ATOM 890 O ALA A 120 73.366 20.371 32.022 1.00 29.54 O +ATOM 891 CB ALA A 120 71.496 21.879 30.229 1.00 29.99 C +ATOM 892 N GLY A 121 74.642 20.723 30.219 1.00 29.14 N +ATOM 893 CA GLY A 121 75.451 19.551 30.473 1.00 30.19 C +ATOM 894 C GLY A 121 74.982 18.310 29.722 1.00 30.35 C +ATOM 895 O GLY A 121 73.874 18.194 29.187 1.00 30.48 O +ATOM 896 N GLU A 122 75.894 17.343 29.687 1.00 30.37 N +ATOM 897 CA GLU A 122 75.652 16.069 29.021 1.00 30.36 C +ATOM 898 C GLU A 122 74.614 15.311 29.832 1.00 29.56 C +ATOM 899 O GLU A 122 74.602 15.406 31.065 1.00 29.28 O +ATOM 900 CB GLU A 122 76.961 15.286 28.905 1.00 31.46 C +ATOM 901 CG GLU A 122 77.125 14.574 27.574 1.00 33.00 C +ATOM 902 CD GLU A 122 77.723 15.409 26.462 1.00 33.40 C +ATOM 903 OE1 GLU A 122 77.667 16.653 26.501 1.00 33.03 O +ATOM 904 OE2 GLU A 122 78.254 14.792 25.502 1.00 34.23 O +ATOM 905 N GLY A 123 73.691 14.641 29.159 1.00 28.79 N +ATOM 906 CA GLY A 123 72.641 13.902 29.849 1.00 27.62 C +ATOM 907 C GLY A 123 71.569 14.818 30.422 1.00 27.19 C +ATOM 908 O GLY A 123 70.835 14.406 31.318 1.00 27.98 O +ATOM 909 N ALA A 124 71.433 16.043 29.949 1.00 26.49 N +ATOM 910 CA ALA A 124 70.425 16.957 30.461 1.00 26.32 C +ATOM 911 C ALA A 124 69.011 16.437 30.211 1.00 26.21 C +ATOM 912 O ALA A 124 68.767 15.743 29.218 1.00 26.29 O +ATOM 913 CB ALA A 124 70.561 18.321 29.787 1.00 25.66 C +ATOM 914 N LYS A 125 68.091 16.815 31.085 1.00 26.06 N +ATOM 915 CA LYS A 125 66.684 16.468 30.905 1.00 26.11 C +ATOM 916 C LYS A 125 66.058 17.598 30.093 1.00 25.77 C +ATOM 917 O LYS A 125 66.070 18.740 30.553 1.00 25.75 O +ATOM 918 CB LYS A 125 65.965 16.292 32.232 1.00 26.33 C +ATOM 919 CG LYS A 125 66.389 15.033 32.969 1.00 27.39 C +ATOM 920 CD LYS A 125 65.892 15.038 34.406 1.00 28.43 C +ATOM 921 CE LYS A 125 65.762 13.626 34.946 1.00 29.19 C +ATOM 922 NZ LYS A 125 65.145 13.641 36.304 1.00 30.30 N +ATOM 923 N VAL A 126 65.607 17.294 28.880 1.00 24.95 N +ATOM 924 CA VAL A 126 65.047 18.308 28.008 1.00 24.28 C +ATOM 925 C VAL A 126 63.620 18.050 27.541 1.00 23.69 C +ATOM 926 O VAL A 126 63.104 16.939 27.488 1.00 23.56 O +ATOM 927 CB VAL A 126 65.908 18.455 26.722 1.00 24.79 C +ATOM 928 CG1 VAL A 126 67.339 18.868 27.043 1.00 25.50 C +ATOM 929 CG2 VAL A 126 65.917 17.167 25.916 1.00 24.90 C +ATOM 930 N ILE A 127 62.984 19.132 27.102 1.00 22.81 N +ATOM 931 CA ILE A 127 61.653 19.107 26.510 1.00 22.02 C +ATOM 932 C ILE A 127 61.764 19.730 25.118 1.00 22.34 C +ATOM 933 O ILE A 127 62.482 20.730 24.967 1.00 22.27 O +ATOM 934 CB ILE A 127 60.626 19.862 27.368 1.00 21.49 C +ATOM 935 CG1 ILE A 127 60.251 18.995 28.580 1.00 21.03 C +ATOM 936 CG2 ILE A 127 59.376 20.254 26.590 1.00 20.96 C +ATOM 937 CD1 ILE A 127 59.315 19.657 29.562 1.00 20.97 C +ATOM 938 N GLU A 128 61.118 19.155 24.118 1.00 22.74 N +ATOM 939 CA GLU A 128 61.123 19.710 22.775 1.00 23.19 C +ATOM 940 C GLU A 128 59.720 20.144 22.354 1.00 23.50 C +ATOM 941 O GLU A 128 58.782 19.356 22.464 1.00 23.79 O +ATOM 942 CB GLU A 128 61.622 18.716 21.727 1.00 23.51 C +ATOM 943 CG GLU A 128 61.615 19.262 20.304 1.00 23.72 C +ATOM 944 CD GLU A 128 62.294 18.294 19.346 1.00 24.72 C +ATOM 945 OE1 GLU A 128 62.081 17.069 19.496 1.00 24.63 O +ATOM 946 OE2 GLU A 128 63.033 18.751 18.443 1.00 25.03 O +ATOM 947 N LEU A 129 59.607 21.352 21.824 1.00 23.59 N +ATOM 948 CA LEU A 129 58.344 21.857 21.313 1.00 23.82 C +ATOM 949 C LEU A 129 58.420 21.802 19.791 1.00 24.48 C +ATOM 950 O LEU A 129 59.183 22.572 19.202 1.00 25.13 O +ATOM 951 CB LEU A 129 58.045 23.275 21.783 1.00 24.03 C +ATOM 952 CG LEU A 129 57.756 23.494 23.271 1.00 23.85 C +ATOM 953 CD1 LEU A 129 57.310 24.931 23.520 1.00 23.86 C +ATOM 954 CD2 LEU A 129 56.705 22.520 23.786 1.00 24.22 C +ATOM 955 N GLN A 130 57.685 20.891 19.172 1.00 25.17 N +ATOM 956 CA GLN A 130 57.741 20.722 17.729 1.00 25.98 C +ATOM 957 C GLN A 130 56.793 21.662 16.986 1.00 26.18 C +ATOM 958 O GLN A 130 55.792 22.125 17.509 1.00 25.72 O +ATOM 959 CB GLN A 130 57.394 19.288 17.327 1.00 25.93 C +ATOM 960 CG GLN A 130 57.944 18.188 18.210 1.00 27.11 C +ATOM 961 CD GLN A 130 57.302 16.845 17.918 1.00 27.98 C +ATOM 962 OE1 GLN A 130 56.127 16.753 17.557 1.00 28.73 O +ATOM 963 NE2 GLN A 130 58.049 15.758 18.066 1.00 28.31 N +ATOM 964 N GLY A 131 57.087 21.866 15.709 1.00 27.01 N +ATOM 965 CA GLY A 131 56.281 22.692 14.826 1.00 28.27 C +ATOM 966 C GLY A 131 55.127 21.879 14.250 1.00 29.45 C +ATOM 967 O GLY A 131 54.884 20.753 14.684 1.00 28.98 O +ATOM 968 N ILE A 132 54.436 22.448 13.273 1.00 30.38 N +ATOM 969 CA ILE A 132 53.298 21.762 12.668 1.00 31.32 C +ATOM 970 C ILE A 132 53.687 20.391 12.130 1.00 31.84 C +ATOM 971 O ILE A 132 54.623 20.245 11.347 1.00 32.11 O +ATOM 972 CB ILE A 132 52.657 22.626 11.567 1.00 31.58 C +ATOM 973 CG1 ILE A 132 52.215 23.970 12.150 1.00 31.87 C +ATOM 974 CG2 ILE A 132 51.470 21.903 10.943 1.00 31.79 C +ATOM 975 CD1 ILE A 132 51.793 25.013 11.142 1.00 32.18 C +ATOM 976 N ALA A 133 52.950 19.367 12.553 1.00 32.09 N +ATOM 977 CA ALA A 133 53.197 17.999 12.108 1.00 32.23 C +ATOM 978 C ALA A 133 53.050 17.882 10.597 1.00 32.14 C +ATOM 979 O ALA A 133 52.087 18.413 10.043 1.00 33.10 O +ATOM 980 CB ALA A 133 52.242 17.043 12.815 1.00 32.33 C +ATOM 981 N GLY A 134 53.990 17.236 9.919 1.00 31.29 N +ATOM 982 CA GLY A 134 53.904 17.111 8.472 1.00 30.79 C +ATOM 983 C GLY A 134 54.773 18.088 7.702 1.00 30.46 C +ATOM 984 O GLY A 134 55.178 17.785 6.580 1.00 30.28 O +ATOM 985 N THR A 135 55.051 19.274 8.232 1.00 30.39 N +ATOM 986 CA THR A 135 55.887 20.250 7.544 1.00 29.98 C +ATOM 987 C THR A 135 57.346 19.797 7.476 1.00 29.24 C +ATOM 988 O THR A 135 57.829 19.184 8.433 1.00 29.27 O +ATOM 989 CB THR A 135 55.875 21.630 8.234 1.00 29.71 C +ATOM 990 OG1 THR A 135 56.527 21.509 9.507 1.00 29.78 O +ATOM 991 CG2 THR A 135 54.469 22.159 8.418 1.00 29.81 C +ATOM 992 N SER A 136 58.070 20.173 6.424 1.00 28.97 N +ATOM 993 CA SER A 136 59.482 19.781 6.343 1.00 29.03 C +ATOM 994 C SER A 136 60.341 20.428 7.418 1.00 28.06 C +ATOM 995 O SER A 136 61.303 19.794 7.881 1.00 28.14 O +ATOM 996 CB SER A 136 60.070 20.037 4.956 1.00 29.70 C +ATOM 997 OG SER A 136 59.655 21.277 4.414 1.00 30.48 O +ATOM 998 N ALA A 137 60.036 21.653 7.841 1.00 26.98 N +ATOM 999 CA ALA A 137 60.829 22.317 8.874 1.00 26.31 C +ATOM 1000 C ALA A 137 60.770 21.581 10.202 1.00 25.95 C +ATOM 1001 O ALA A 137 61.800 21.318 10.829 1.00 25.84 O +ATOM 1002 CB ALA A 137 60.382 23.762 9.052 1.00 26.25 C +ATOM 1003 N ALA A 138 59.567 21.204 10.642 1.00 25.67 N +ATOM 1004 CA ALA A 138 59.424 20.444 11.883 1.00 25.45 C +ATOM 1005 C ALA A 138 60.164 19.107 11.812 1.00 25.41 C +ATOM 1006 O ALA A 138 60.813 18.693 12.770 1.00 25.19 O +ATOM 1007 CB ALA A 138 57.966 20.199 12.208 1.00 24.81 C +ATOM 1008 N ARG A 139 60.091 18.429 10.675 1.00 25.83 N +ATOM 1009 CA ARG A 139 60.732 17.130 10.497 1.00 26.46 C +ATOM 1010 C ARG A 139 62.247 17.229 10.543 1.00 25.58 C +ATOM 1011 O ARG A 139 62.908 16.539 11.320 1.00 24.63 O +ATOM 1012 CB ARG A 139 60.252 16.504 9.188 1.00 28.08 C +ATOM 1013 CG ARG A 139 60.527 15.012 9.039 1.00 30.34 C +ATOM 1014 CD ARG A 139 60.056 14.561 7.650 1.00 32.28 C +ATOM 1015 NE ARG A 139 60.881 15.221 6.647 1.00 34.44 N +ATOM 1016 CZ ARG A 139 60.450 15.944 5.620 1.00 35.56 C +ATOM 1017 NH1 ARG A 139 59.143 16.097 5.437 1.00 35.51 N +ATOM 1018 NH2 ARG A 139 61.339 16.503 4.792 1.00 36.10 N +ATOM 1019 N GLU A 140 62.815 18.119 9.740 1.00 25.39 N +ATOM 1020 CA GLU A 140 64.265 18.297 9.692 1.00 25.40 C +ATOM 1021 C GLU A 140 64.849 18.863 10.969 1.00 24.65 C +ATOM 1022 O GLU A 140 65.887 18.409 11.445 1.00 23.51 O +ATOM 1023 CB GLU A 140 64.607 19.208 8.507 1.00 26.39 C +ATOM 1024 CG GLU A 140 64.279 18.544 7.172 1.00 27.25 C +ATOM 1025 CD GLU A 140 64.300 19.533 6.028 1.00 28.09 C +ATOM 1026 OE1 GLU A 140 64.959 20.587 6.171 1.00 28.84 O +ATOM 1027 OE2 GLU A 140 63.664 19.269 4.984 1.00 28.89 O +ATOM 1028 N ARG A 141 64.181 19.841 11.579 1.00 24.77 N +ATOM 1029 CA ARG A 141 64.665 20.380 12.855 1.00 24.56 C +ATOM 1030 C ARG A 141 64.614 19.303 13.925 1.00 24.03 C +ATOM 1031 O ARG A 141 65.523 19.173 14.752 1.00 23.10 O +ATOM 1032 CB ARG A 141 63.863 21.633 13.224 1.00 24.98 C +ATOM 1033 CG ARG A 141 64.229 22.812 12.332 1.00 25.70 C +ATOM 1034 CD ARG A 141 63.428 24.079 12.627 1.00 25.34 C +ATOM 1035 NE ARG A 141 63.334 24.910 11.445 1.00 25.83 N +ATOM 1036 CZ ARG A 141 62.651 26.023 11.248 1.00 25.89 C +ATOM 1037 NH1 ARG A 141 61.911 26.571 12.205 1.00 25.19 N +ATOM 1038 NH2 ARG A 141 62.712 26.618 10.057 1.00 25.84 N +ATOM 1039 N GLY A 142 63.571 18.464 13.888 1.00 23.64 N +ATOM 1040 CA GLY A 142 63.431 17.350 14.804 1.00 23.05 C +ATOM 1041 C GLY A 142 64.535 16.316 14.663 1.00 22.97 C +ATOM 1042 O GLY A 142 65.089 15.881 15.690 1.00 22.79 O +ATOM 1043 N GLU A 143 64.904 15.908 13.436 1.00 23.15 N +ATOM 1044 CA GLU A 143 65.979 14.912 13.337 1.00 24.41 C +ATOM 1045 C GLU A 143 67.323 15.517 13.727 1.00 23.18 C +ATOM 1046 O GLU A 143 68.143 14.844 14.351 1.00 23.01 O +ATOM 1047 CB GLU A 143 66.087 14.185 12.009 1.00 25.84 C +ATOM 1048 CG GLU A 143 66.259 14.987 10.754 1.00 28.02 C +ATOM 1049 CD GLU A 143 66.742 14.170 9.567 1.00 29.24 C +ATOM 1050 OE1 GLU A 143 67.823 13.548 9.619 1.00 28.94 O +ATOM 1051 OE2 GLU A 143 66.001 14.174 8.558 1.00 30.29 O +ATOM 1052 N GLY A 144 67.534 16.791 13.415 1.00 22.71 N +ATOM 1053 CA GLY A 144 68.770 17.462 13.823 1.00 21.51 C +ATOM 1054 C GLY A 144 68.901 17.415 15.335 1.00 20.79 C +ATOM 1055 O GLY A 144 69.972 17.161 15.890 1.00 20.31 O +ATOM 1056 N PHE A 145 67.813 17.768 16.034 1.00 20.94 N +ATOM 1057 CA PHE A 145 67.816 17.726 17.496 1.00 21.03 C +ATOM 1058 C PHE A 145 68.066 16.315 18.011 1.00 20.96 C +ATOM 1059 O PHE A 145 68.806 16.110 18.990 1.00 20.70 O +ATOM 1060 CB PHE A 145 66.513 18.292 18.064 1.00 20.81 C +ATOM 1061 CG PHE A 145 66.524 18.369 19.569 1.00 21.01 C +ATOM 1062 CD1 PHE A 145 67.358 19.246 20.223 1.00 20.74 C +ATOM 1063 CD2 PHE A 145 65.679 17.560 20.315 1.00 21.28 C +ATOM 1064 CE1 PHE A 145 67.358 19.322 21.604 1.00 21.52 C +ATOM 1065 CE2 PHE A 145 65.673 17.631 21.695 1.00 21.50 C +ATOM 1066 CZ PHE A 145 66.520 18.510 22.343 1.00 21.39 C +ATOM 1067 N GLN A 146 67.507 15.305 17.350 1.00 21.37 N +ATOM 1068 CA GLN A 146 67.733 13.915 17.735 1.00 21.88 C +ATOM 1069 C GLN A 146 69.211 13.567 17.619 1.00 21.77 C +ATOM 1070 O GLN A 146 69.744 12.853 18.470 1.00 21.45 O +ATOM 1071 CB GLN A 146 66.865 12.953 16.926 1.00 22.48 C +ATOM 1072 CG GLN A 146 65.398 12.873 17.279 1.00 23.39 C +ATOM 1073 CD GLN A 146 65.116 12.708 18.759 1.00 24.18 C +ATOM 1074 OE1 GLN A 146 65.655 11.806 19.402 1.00 24.81 O +ATOM 1075 NE2 GLN A 146 64.280 13.582 19.308 1.00 24.32 N +ATOM 1076 N GLN A 147 69.933 14.101 16.627 1.00 22.09 N +ATOM 1077 CA GLN A 147 71.383 13.896 16.552 1.00 22.55 C +ATOM 1078 C GLN A 147 72.063 14.406 17.818 1.00 21.85 C +ATOM 1079 O GLN A 147 72.937 13.745 18.372 1.00 22.04 O +ATOM 1080 CB GLN A 147 71.979 14.566 15.314 1.00 23.48 C +ATOM 1081 CG GLN A 147 71.420 14.040 13.997 1.00 24.42 C +ATOM 1082 CD GLN A 147 72.046 14.710 12.789 1.00 25.47 C +ATOM 1083 OE1 GLN A 147 72.898 15.595 12.940 1.00 26.36 O +ATOM 1084 NE2 GLN A 147 71.645 14.316 11.587 1.00 25.17 N +ATOM 1085 N ALA A 148 71.647 15.559 18.341 1.00 21.24 N +ATOM 1086 CA ALA A 148 72.209 16.088 19.585 1.00 20.52 C +ATOM 1087 C ALA A 148 71.733 15.281 20.787 1.00 20.32 C +ATOM 1088 O ALA A 148 72.474 15.108 21.754 1.00 20.52 O +ATOM 1089 CB ALA A 148 71.843 17.558 19.730 1.00 20.43 C +ATOM 1090 N VAL A 149 70.497 14.775 20.740 1.00 19.88 N +ATOM 1091 CA VAL A 149 69.980 13.929 21.809 1.00 19.31 C +ATOM 1092 C VAL A 149 70.867 12.692 21.940 1.00 19.65 C +ATOM 1093 O VAL A 149 71.218 12.308 23.057 1.00 19.82 O +ATOM 1094 CB VAL A 149 68.508 13.521 21.579 1.00 19.18 C +ATOM 1095 CG1 VAL A 149 68.081 12.360 22.472 1.00 18.37 C +ATOM 1096 CG2 VAL A 149 67.567 14.698 21.827 1.00 18.65 C +ATOM 1097 N ALA A 150 71.227 12.048 20.837 1.00 19.61 N +ATOM 1098 CA ALA A 150 72.117 10.891 20.873 1.00 20.51 C +ATOM 1099 C ALA A 150 73.528 11.248 21.318 1.00 21.10 C +ATOM 1100 O ALA A 150 74.061 10.677 22.266 1.00 20.90 O +ATOM 1101 CB ALA A 150 72.190 10.237 19.491 1.00 20.06 C +ATOM 1102 N ALA A 151 74.153 12.199 20.616 1.00 21.34 N +ATOM 1103 CA ALA A 151 75.531 12.579 20.941 1.00 22.09 C +ATOM 1104 C ALA A 151 75.681 13.061 22.377 1.00 22.74 C +ATOM 1105 O ALA A 151 76.617 12.636 23.069 1.00 22.78 O +ATOM 1106 CB ALA A 151 76.042 13.613 19.947 1.00 21.43 C +ATOM 1107 N HIS A 152 74.756 13.894 22.857 1.00 22.75 N +ATOM 1108 CA HIS A 152 74.852 14.372 24.237 1.00 22.64 C +ATOM 1109 C HIS A 152 74.067 13.582 25.260 1.00 22.65 C +ATOM 1110 O HIS A 152 74.000 13.952 26.439 1.00 22.35 O +ATOM 1111 CB HIS A 152 74.484 15.868 24.269 1.00 22.06 C +ATOM 1112 CG HIS A 152 75.406 16.625 23.354 1.00 21.64 C +ATOM 1113 ND1 HIS A 152 76.735 16.849 23.677 1.00 21.51 N +ATOM 1114 CD2 HIS A 152 75.212 17.186 22.145 1.00 21.52 C +ATOM 1115 CE1 HIS A 152 77.313 17.533 22.701 1.00 20.90 C +ATOM 1116 NE2 HIS A 152 76.415 17.738 21.753 1.00 20.81 N +ATOM 1117 N LYS A 153 73.504 12.437 24.875 1.00 22.98 N +ATOM 1118 CA LYS A 153 72.778 11.567 25.794 1.00 23.14 C +ATOM 1119 C LYS A 153 71.626 12.274 26.509 1.00 22.60 C +ATOM 1120 O LYS A 153 71.389 12.054 27.707 1.00 21.57 O +ATOM 1121 CB LYS A 153 73.763 10.993 26.817 1.00 24.49 C +ATOM 1122 CG LYS A 153 74.946 10.212 26.259 1.00 26.15 C +ATOM 1123 CD LYS A 153 75.385 9.159 27.271 1.00 27.92 C +ATOM 1124 CE LYS A 153 76.736 8.547 26.966 1.00 29.34 C +ATOM 1125 NZ LYS A 153 76.881 8.161 25.530 1.00 30.38 N +ATOM 1126 N PHE A 154 70.860 13.103 25.799 1.00 22.06 N +ATOM 1127 CA PHE A 154 69.757 13.824 26.414 1.00 22.00 C +ATOM 1128 C PHE A 154 68.596 12.886 26.772 1.00 22.67 C +ATOM 1129 O PHE A 154 68.308 11.924 26.075 1.00 21.68 O +ATOM 1130 CB PHE A 154 69.199 14.921 25.506 1.00 21.39 C +ATOM 1131 CG PHE A 154 70.062 16.129 25.298 1.00 21.27 C +ATOM 1132 CD1 PHE A 154 71.014 16.525 26.230 1.00 21.24 C +ATOM 1133 CD2 PHE A 154 69.918 16.868 24.135 1.00 21.05 C +ATOM 1134 CE1 PHE A 154 71.796 17.644 26.005 1.00 21.81 C +ATOM 1135 CE2 PHE A 154 70.710 17.979 23.907 1.00 21.51 C +ATOM 1136 CZ PHE A 154 71.652 18.380 24.845 1.00 21.58 C +ATOM 1137 N ASN A 155 67.930 13.239 27.860 1.00 23.08 N +ATOM 1138 CA ASN A 155 66.729 12.544 28.308 1.00 23.45 C +ATOM 1139 C ASN A 155 65.571 13.461 27.901 1.00 23.72 C +ATOM 1140 O ASN A 155 65.370 14.513 28.520 1.00 24.23 O +ATOM 1141 CB ASN A 155 66.765 12.343 29.810 1.00 23.77 C +ATOM 1142 CG ASN A 155 65.501 11.830 30.447 1.00 24.25 C +ATOM 1143 OD1 ASN A 155 65.455 11.694 31.673 1.00 24.97 O +ATOM 1144 ND2 ASN A 155 64.462 11.516 29.680 1.00 24.36 N +ATOM 1145 N VAL A 156 64.869 13.116 26.833 1.00 23.76 N +ATOM 1146 CA VAL A 156 63.753 13.943 26.380 1.00 23.16 C +ATOM 1147 C VAL A 156 62.513 13.594 27.196 1.00 23.85 C +ATOM 1148 O VAL A 156 61.840 12.598 26.960 1.00 24.49 O +ATOM 1149 CB VAL A 156 63.482 13.798 24.882 1.00 22.20 C +ATOM 1150 CG1 VAL A 156 62.450 14.817 24.413 1.00 21.50 C +ATOM 1151 CG2 VAL A 156 64.774 13.975 24.089 1.00 21.46 C +ATOM 1152 N LEU A 157 62.211 14.435 28.189 1.00 24.41 N +ATOM 1153 CA LEU A 157 61.067 14.223 29.058 1.00 24.42 C +ATOM 1154 C LEU A 157 59.760 14.230 28.273 1.00 24.69 C +ATOM 1155 O LEU A 157 58.869 13.427 28.533 1.00 24.73 O +ATOM 1156 CB LEU A 157 60.986 15.291 30.147 1.00 24.22 C +ATOM 1157 CG LEU A 157 62.196 15.435 31.071 1.00 24.36 C +ATOM 1158 CD1 LEU A 157 61.938 16.569 32.055 1.00 23.97 C +ATOM 1159 CD2 LEU A 157 62.513 14.144 31.804 1.00 23.74 C +ATOM 1160 N ALA A 158 59.662 15.165 27.340 1.00 24.65 N +ATOM 1161 CA ALA A 158 58.466 15.274 26.510 1.00 24.58 C +ATOM 1162 C ALA A 158 58.833 15.913 25.178 1.00 24.84 C +ATOM 1163 O ALA A 158 59.765 16.713 25.104 1.00 24.19 O +ATOM 1164 CB ALA A 158 57.406 16.076 27.244 1.00 24.32 C +ATOM 1165 N SER A 159 58.118 15.557 24.133 1.00 25.22 N +ATOM 1166 CA SER A 159 58.294 16.101 22.796 1.00 26.52 C +ATOM 1167 C SER A 159 56.901 16.207 22.177 1.00 27.80 C +ATOM 1168 O SER A 159 56.269 15.185 21.905 1.00 27.65 O +ATOM 1169 CB SER A 159 59.237 15.253 21.954 1.00 26.63 C +ATOM 1170 OG SER A 159 59.498 15.844 20.690 1.00 26.63 O +ATOM 1171 N GLN A 160 56.378 17.420 22.048 1.00 29.73 N +ATOM 1172 CA GLN A 160 55.035 17.612 21.512 1.00 31.57 C +ATOM 1173 C GLN A 160 54.941 18.833 20.608 1.00 31.38 C +ATOM 1174 O GLN A 160 55.712 19.781 20.741 1.00 31.24 O +ATOM 1175 CB GLN A 160 54.013 17.769 22.639 1.00 33.57 C +ATOM 1176 CG GLN A 160 53.163 16.519 22.849 1.00 36.39 C +ATOM 1177 CD GLN A 160 52.710 16.434 24.296 1.00 38.29 C +ATOM 1178 OE1 GLN A 160 52.517 17.472 24.945 1.00 39.32 O +ATOM 1179 NE2 GLN A 160 52.553 15.213 24.787 1.00 39.11 N +ATOM 1180 N PRO A 161 53.975 18.801 19.698 1.00 30.90 N +ATOM 1181 CA PRO A 161 53.769 19.885 18.762 1.00 30.50 C +ATOM 1182 C PRO A 161 53.106 21.080 19.419 1.00 30.39 C +ATOM 1183 O PRO A 161 52.288 20.931 20.323 1.00 30.15 O +ATOM 1184 CB PRO A 161 52.877 19.263 17.693 1.00 30.97 C +ATOM 1185 CG PRO A 161 52.117 18.193 18.402 1.00 30.79 C +ATOM 1186 CD PRO A 161 53.011 17.689 19.500 1.00 30.86 C +ATOM 1187 N ALA A 162 53.498 22.278 19.008 1.00 30.41 N +ATOM 1188 CA ALA A 162 52.897 23.521 19.471 1.00 30.52 C +ATOM 1189 C ALA A 162 52.630 24.367 18.223 1.00 31.16 C +ATOM 1190 O ALA A 162 52.422 25.572 18.217 1.00 30.79 O +ATOM 1191 CB ALA A 162 53.722 24.245 20.502 1.00 30.22 C +ATOM 1192 N ASP A 163 52.690 23.678 17.087 1.00 31.62 N +ATOM 1193 CA ASP A 163 52.408 24.170 15.761 1.00 32.63 C +ATOM 1194 C ASP A 163 53.039 25.489 15.366 1.00 32.72 C +ATOM 1195 O ASP A 163 52.413 26.276 14.642 1.00 33.33 O +ATOM 1196 CB ASP A 163 50.876 24.274 15.565 1.00 33.61 C +ATOM 1197 CG ASP A 163 50.165 22.974 15.887 1.00 34.50 C +ATOM 1198 OD1 ASP A 163 50.753 21.897 15.648 1.00 34.65 O +ATOM 1199 OD2 ASP A 163 49.030 23.022 16.399 1.00 35.26 O +ATOM 1200 N PHE A 164 54.259 25.791 15.796 1.00 32.31 N +ATOM 1201 CA PHE A 164 54.936 27.026 15.444 1.00 32.16 C +ATOM 1202 C PHE A 164 54.169 28.273 15.878 1.00 32.62 C +ATOM 1203 O PHE A 164 54.305 29.352 15.287 1.00 32.66 O +ATOM 1204 CB PHE A 164 55.148 27.078 13.925 1.00 31.01 C +ATOM 1205 CG PHE A 164 56.158 26.144 13.331 1.00 30.14 C +ATOM 1206 CD1 PHE A 164 57.405 25.965 13.895 1.00 30.01 C +ATOM 1207 CD2 PHE A 164 55.858 25.445 12.167 1.00 29.62 C +ATOM 1208 CE1 PHE A 164 58.326 25.105 13.333 1.00 29.94 C +ATOM 1209 CE2 PHE A 164 56.765 24.592 11.591 1.00 29.42 C +ATOM 1210 CZ PHE A 164 58.000 24.415 12.177 1.00 29.75 C +ATOM 1211 N ASP A 165 53.384 28.169 16.939 1.00 33.14 N +ATOM 1212 CA ASP A 165 52.539 29.247 17.426 1.00 33.30 C +ATOM 1213 C ASP A 165 52.945 29.644 18.836 1.00 33.79 C +ATOM 1214 O ASP A 165 53.332 28.782 19.632 1.00 33.71 O +ATOM 1215 CB ASP A 165 51.088 28.772 17.372 1.00 33.61 C +ATOM 1216 CG ASP A 165 50.066 29.770 17.858 1.00 33.63 C +ATOM 1217 OD1 ASP A 165 49.675 30.649 17.065 1.00 34.17 O +ATOM 1218 OD2 ASP A 165 49.643 29.685 19.025 1.00 33.52 O +ATOM 1219 N ARG A 166 52.858 30.939 19.139 1.00 34.44 N +ATOM 1220 CA ARG A 166 53.230 31.421 20.462 1.00 34.72 C +ATOM 1221 C ARG A 166 52.178 31.028 21.490 1.00 34.28 C +ATOM 1222 O ARG A 166 52.534 30.568 22.580 1.00 34.74 O +ATOM 1223 CB ARG A 166 53.483 32.932 20.481 1.00 35.45 C +ATOM 1224 CG ARG A 166 54.242 33.380 21.719 1.00 36.83 C +ATOM 1225 CD ARG A 166 54.442 34.876 21.813 1.00 37.67 C +ATOM 1226 NE ARG A 166 54.934 35.508 20.596 1.00 38.75 N +ATOM 1227 CZ ARG A 166 55.646 36.640 20.568 1.00 39.19 C +ATOM 1228 NH1 ARG A 166 55.968 37.258 21.700 1.00 38.97 N +ATOM 1229 NH2 ARG A 166 56.046 37.139 19.406 1.00 38.74 N +ATOM 1230 N ILE A 167 50.895 31.171 21.172 1.00 33.94 N +ATOM 1231 CA ILE A 167 49.874 30.818 22.163 1.00 33.64 C +ATOM 1232 C ILE A 167 49.901 29.327 22.452 1.00 32.64 C +ATOM 1233 O ILE A 167 49.910 28.939 23.625 1.00 32.62 O +ATOM 1234 CB ILE A 167 48.472 31.287 21.770 1.00 34.08 C +ATOM 1235 CG1 ILE A 167 48.484 32.791 21.466 1.00 34.52 C +ATOM 1236 CG2 ILE A 167 47.474 30.972 22.882 1.00 34.20 C +ATOM 1237 CD1 ILE A 167 48.901 33.675 22.624 1.00 34.83 C +ATOM 1238 N LYS A 168 49.988 28.487 21.419 1.00 31.37 N +ATOM 1239 CA LYS A 168 50.060 27.042 21.654 1.00 30.57 C +ATOM 1240 C LYS A 168 51.366 26.688 22.358 1.00 29.38 C +ATOM 1241 O LYS A 168 51.403 25.844 23.255 1.00 28.72 O +ATOM 1242 CB LYS A 168 49.888 26.244 20.367 1.00 30.95 C +ATOM 1243 CG LYS A 168 48.589 26.507 19.623 1.00 31.84 C +ATOM 1244 CD LYS A 168 48.142 25.267 18.857 1.00 32.56 C +ATOM 1245 CE LYS A 168 46.938 25.579 17.970 1.00 32.73 C +ATOM 1246 NZ LYS A 168 47.053 24.930 16.634 1.00 32.93 N +ATOM 1247 N GLY A 169 52.453 27.385 22.011 1.00 28.67 N +ATOM 1248 CA GLY A 169 53.741 27.176 22.653 1.00 28.09 C +ATOM 1249 C GLY A 169 53.634 27.426 24.148 1.00 27.71 C +ATOM 1250 O GLY A 169 54.188 26.697 24.968 1.00 27.62 O +ATOM 1251 N LEU A 170 52.931 28.487 24.518 1.00 27.81 N +ATOM 1252 CA LEU A 170 52.674 28.836 25.906 1.00 27.68 C +ATOM 1253 C LEU A 170 51.862 27.762 26.621 1.00 27.32 C +ATOM 1254 O LEU A 170 52.256 27.256 27.669 1.00 26.89 O +ATOM 1255 CB LEU A 170 51.922 30.175 25.912 1.00 28.33 C +ATOM 1256 CG LEU A 170 51.253 30.663 27.192 1.00 28.55 C +ATOM 1257 CD1 LEU A 170 52.197 30.651 28.375 1.00 28.50 C +ATOM 1258 CD2 LEU A 170 50.722 32.082 26.974 1.00 29.38 C +ATOM 1259 N ASN A 171 50.703 27.421 26.056 1.00 27.49 N +ATOM 1260 CA ASN A 171 49.833 26.416 26.660 1.00 28.23 C +ATOM 1261 C ASN A 171 50.461 25.037 26.733 1.00 28.26 C +ATOM 1262 O ASN A 171 50.408 24.430 27.810 1.00 28.52 O +ATOM 1263 CB ASN A 171 48.483 26.383 25.933 1.00 28.89 C +ATOM 1264 CG ASN A 171 47.752 27.700 26.162 1.00 30.05 C +ATOM 1265 OD1 ASN A 171 47.797 28.306 27.247 1.00 30.20 O +ATOM 1266 ND2 ASN A 171 47.080 28.177 25.117 1.00 30.30 N +ATOM 1267 N VAL A 172 51.115 24.566 25.678 1.00 28.06 N +ATOM 1268 CA VAL A 172 51.772 23.264 25.714 1.00 28.09 C +ATOM 1269 C VAL A 172 52.894 23.253 26.739 1.00 28.61 C +ATOM 1270 O VAL A 172 53.002 22.275 27.477 1.00 28.66 O +ATOM 1271 CB VAL A 172 52.325 22.819 24.350 1.00 27.76 C +ATOM 1272 CG1 VAL A 172 53.079 21.492 24.462 1.00 27.60 C +ATOM 1273 CG2 VAL A 172 51.217 22.693 23.322 1.00 27.75 C +ATOM 1274 N MET A 173 53.708 24.308 26.807 1.00 29.81 N +ATOM 1275 CA MET A 173 54.802 24.380 27.773 1.00 30.84 C +ATOM 1276 C MET A 173 54.251 24.358 29.195 1.00 31.94 C +ATOM 1277 O MET A 173 54.790 23.690 30.083 1.00 32.20 O +ATOM 1278 CB MET A 173 55.675 25.624 27.581 1.00 30.77 C +ATOM 1279 CG MET A 173 56.958 25.608 28.415 1.00 30.75 C +ATOM 1280 SD MET A 173 58.033 24.256 27.918 1.00 31.62 S +ATOM 1281 CE MET A 173 58.523 23.542 29.481 1.00 30.75 C +ATOM 1282 N GLN A 174 53.159 25.082 29.407 1.00 33.14 N +ATOM 1283 CA GLN A 174 52.479 25.108 30.698 1.00 34.92 C +ATOM 1284 C GLN A 174 52.062 23.707 31.132 1.00 34.87 C +ATOM 1285 O GLN A 174 52.317 23.290 32.262 1.00 34.45 O +ATOM 1286 CB GLN A 174 51.246 26.018 30.608 1.00 36.10 C +ATOM 1287 CG GLN A 174 51.082 26.949 31.794 1.00 37.84 C +ATOM 1288 CD GLN A 174 50.598 28.328 31.384 1.00 39.01 C +ATOM 1289 OE1 GLN A 174 49.725 28.431 30.521 1.00 39.63 O +ATOM 1290 NE2 GLN A 174 51.155 29.366 32.006 1.00 39.16 N +ATOM 1291 N ASN A 175 51.432 22.963 30.215 1.00 35.41 N +ATOM 1292 CA ASN A 175 51.036 21.595 30.522 1.00 36.29 C +ATOM 1293 C ASN A 175 52.237 20.701 30.799 1.00 35.73 C +ATOM 1294 O ASN A 175 52.224 19.967 31.785 1.00 35.73 O +ATOM 1295 CB ASN A 175 50.204 20.989 29.387 1.00 37.60 C +ATOM 1296 CG ASN A 175 48.898 21.734 29.199 1.00 38.95 C +ATOM 1297 OD1 ASN A 175 48.275 22.171 30.171 1.00 39.55 O +ATOM 1298 ND2 ASN A 175 48.507 21.889 27.938 1.00 39.73 N +ATOM 1299 N LEU A 176 53.258 20.763 29.953 1.00 35.45 N +ATOM 1300 CA LEU A 176 54.444 19.926 30.099 1.00 35.48 C +ATOM 1301 C LEU A 176 55.246 20.261 31.349 1.00 35.87 C +ATOM 1302 O LEU A 176 55.806 19.376 31.997 1.00 35.49 O +ATOM 1303 CB LEU A 176 55.318 20.012 28.842 1.00 34.68 C +ATOM 1304 CG LEU A 176 54.681 19.494 27.551 1.00 34.41 C +ATOM 1305 CD1 LEU A 176 55.617 19.696 26.373 1.00 33.99 C +ATOM 1306 CD2 LEU A 176 54.282 18.030 27.689 1.00 34.03 C +ATOM 1307 N LEU A 177 55.275 21.541 31.711 1.00 36.60 N +ATOM 1308 CA LEU A 177 55.946 22.010 32.906 1.00 37.21 C +ATOM 1309 C LEU A 177 55.411 21.355 34.174 1.00 37.47 C +ATOM 1310 O LEU A 177 56.168 20.849 35.005 1.00 37.63 O +ATOM 1311 CB LEU A 177 55.771 23.526 33.056 1.00 37.67 C +ATOM 1312 CG LEU A 177 57.057 24.351 33.078 1.00 38.15 C +ATOM 1313 CD1 LEU A 177 56.747 25.820 33.335 1.00 38.01 C +ATOM 1314 CD2 LEU A 177 58.021 23.808 34.127 1.00 38.13 C +ATOM 1315 N THR A 178 54.091 21.364 34.339 1.00 37.85 N +ATOM 1316 CA THR A 178 53.484 20.756 35.524 1.00 38.35 C +ATOM 1317 C THR A 178 53.704 19.246 35.528 1.00 37.96 C +ATOM 1318 O THR A 178 54.000 18.654 36.573 1.00 38.05 O +ATOM 1319 CB THR A 178 51.996 21.109 35.681 1.00 38.81 C +ATOM 1320 OG1 THR A 178 51.209 20.265 34.831 1.00 39.59 O +ATOM 1321 CG2 THR A 178 51.715 22.559 35.327 1.00 38.69 C +ATOM 1322 N ALA A 179 53.621 18.602 34.368 1.00 37.46 N +ATOM 1323 CA ALA A 179 53.852 17.166 34.249 1.00 36.92 C +ATOM 1324 C ALA A 179 55.312 16.751 34.366 1.00 36.66 C +ATOM 1325 O ALA A 179 55.632 15.599 34.688 1.00 35.94 O +ATOM 1326 CB ALA A 179 53.294 16.712 32.900 1.00 36.97 C +ATOM 1327 N HIS A 180 56.255 17.627 34.009 1.00 36.15 N +ATOM 1328 CA HIS A 180 57.683 17.354 34.055 1.00 35.65 C +ATOM 1329 C HIS A 180 58.432 18.567 34.608 1.00 36.03 C +ATOM 1330 O HIS A 180 59.040 19.359 33.882 1.00 35.55 O +ATOM 1331 CB HIS A 180 58.269 17.050 32.675 1.00 34.93 C +ATOM 1332 CG HIS A 180 57.660 15.899 31.946 1.00 34.53 C +ATOM 1333 ND1 HIS A 180 57.936 14.595 32.285 1.00 34.31 N +ATOM 1334 CD2 HIS A 180 56.766 15.856 30.927 1.00 34.30 C +ATOM 1335 CE1 HIS A 180 57.248 13.789 31.490 1.00 34.34 C +ATOM 1336 NE2 HIS A 180 56.536 14.529 30.657 1.00 34.51 N +ATOM 1337 N PRO A 181 58.396 18.731 35.927 1.00 36.04 N +ATOM 1338 CA PRO A 181 59.013 19.862 36.601 1.00 35.71 C +ATOM 1339 C PRO A 181 60.518 19.800 36.698 1.00 34.80 C +ATOM 1340 O PRO A 181 61.180 20.802 36.976 1.00 35.01 O +ATOM 1341 CB PRO A 181 58.361 19.846 37.986 1.00 35.98 C +ATOM 1342 CG PRO A 181 58.090 18.399 38.227 1.00 36.33 C +ATOM 1343 CD PRO A 181 57.697 17.842 36.882 1.00 36.26 C +ATOM 1344 N ASP A 182 61.103 18.642 36.413 1.00 33.67 N +ATOM 1345 CA ASP A 182 62.536 18.423 36.439 1.00 32.53 C +ATOM 1346 C ASP A 182 63.206 18.759 35.111 1.00 32.00 C +ATOM 1347 O ASP A 182 64.372 18.416 34.909 1.00 32.12 O +ATOM 1348 CB ASP A 182 62.852 16.982 36.837 1.00 32.19 C +ATOM 1349 CG ASP A 182 62.213 15.930 35.952 1.00 32.05 C +ATOM 1350 OD1 ASP A 182 61.127 16.154 35.371 1.00 31.14 O +ATOM 1351 OD2 ASP A 182 62.828 14.842 35.843 1.00 31.77 O +ATOM 1352 N VAL A 183 62.507 19.445 34.217 1.00 30.98 N +ATOM 1353 CA VAL A 183 63.056 19.833 32.928 1.00 30.79 C +ATOM 1354 C VAL A 183 64.191 20.837 33.122 1.00 30.80 C +ATOM 1355 O VAL A 183 64.049 21.756 33.930 1.00 30.66 O +ATOM 1356 CB VAL A 183 61.960 20.392 32.003 1.00 30.16 C +ATOM 1357 CG1 VAL A 183 61.231 21.545 32.673 1.00 30.04 C +ATOM 1358 CG2 VAL A 183 62.530 20.814 30.656 1.00 29.46 C +ATOM 1359 N GLN A 184 65.309 20.643 32.421 1.00 30.63 N +ATOM 1360 CA GLN A 184 66.444 21.552 32.551 1.00 30.32 C +ATOM 1361 C GLN A 184 66.546 22.497 31.360 1.00 29.69 C +ATOM 1362 O GLN A 184 67.035 23.623 31.487 1.00 30.10 O +ATOM 1363 CB GLN A 184 67.764 20.793 32.700 1.00 30.48 C +ATOM 1364 CG GLN A 184 67.937 20.034 33.999 1.00 31.02 C +ATOM 1365 CD GLN A 184 69.078 19.033 33.906 1.00 32.00 C +ATOM 1366 OE1 GLN A 184 68.956 17.925 33.385 1.00 31.84 O +ATOM 1367 NE2 GLN A 184 70.230 19.454 34.426 1.00 32.63 N +ATOM 1368 N ALA A 185 66.091 22.049 30.193 1.00 28.22 N +ATOM 1369 CA ALA A 185 66.173 22.872 28.993 1.00 26.89 C +ATOM 1370 C ALA A 185 65.064 22.555 28.001 1.00 26.15 C +ATOM 1371 O ALA A 185 64.512 21.455 27.943 1.00 25.70 O +ATOM 1372 CB ALA A 185 67.529 22.674 28.316 1.00 26.89 C +ATOM 1373 N VAL A 186 64.736 23.557 27.196 1.00 24.63 N +ATOM 1374 CA VAL A 186 63.707 23.425 26.184 1.00 24.29 C +ATOM 1375 C VAL A 186 64.278 23.787 24.810 1.00 23.96 C +ATOM 1376 O VAL A 186 65.022 24.764 24.692 1.00 24.64 O +ATOM 1377 CB VAL A 186 62.497 24.347 26.450 1.00 23.90 C +ATOM 1378 CG1 VAL A 186 61.469 24.252 25.333 1.00 23.38 C +ATOM 1379 CG2 VAL A 186 61.833 24.052 27.784 1.00 23.31 C +ATOM 1380 N PHE A 187 63.929 23.010 23.791 1.00 23.00 N +ATOM 1381 CA PHE A 187 64.277 23.346 22.425 1.00 22.46 C +ATOM 1382 C PHE A 187 62.931 23.542 21.698 1.00 22.53 C +ATOM 1383 O PHE A 187 62.139 22.604 21.612 1.00 22.28 O +ATOM 1384 CB PHE A 187 65.136 22.340 21.675 1.00 21.56 C +ATOM 1385 CG PHE A 187 65.179 22.587 20.186 1.00 21.42 C +ATOM 1386 CD1 PHE A 187 65.595 23.809 19.674 1.00 21.34 C +ATOM 1387 CD2 PHE A 187 64.796 21.603 19.291 1.00 21.43 C +ATOM 1388 CE1 PHE A 187 65.633 24.039 18.311 1.00 20.89 C +ATOM 1389 CE2 PHE A 187 64.830 21.816 17.925 1.00 21.06 C +ATOM 1390 CZ PHE A 187 65.248 23.041 17.436 1.00 20.93 C +ATOM 1391 N ALA A 188 62.685 24.754 21.245 1.00 22.58 N +ATOM 1392 CA ALA A 188 61.459 25.070 20.509 1.00 22.94 C +ATOM 1393 C ALA A 188 61.826 25.218 19.038 1.00 23.36 C +ATOM 1394 O ALA A 188 62.770 25.959 18.712 1.00 24.09 O +ATOM 1395 CB ALA A 188 60.814 26.335 21.051 1.00 22.76 C +ATOM 1396 N GLN A 189 61.081 24.611 18.128 1.00 23.61 N +ATOM 1397 CA GLN A 189 61.417 24.652 16.711 1.00 23.98 C +ATOM 1398 C GLN A 189 61.165 25.957 15.990 1.00 24.76 C +ATOM 1399 O GLN A 189 61.390 26.066 14.774 1.00 24.47 O +ATOM 1400 CB GLN A 189 60.768 23.457 15.997 1.00 23.05 C +ATOM 1401 CG GLN A 189 61.355 22.132 16.487 1.00 22.15 C +ATOM 1402 CD GLN A 189 60.717 20.938 15.799 1.00 21.80 C +ATOM 1403 OE1 GLN A 189 59.839 21.077 14.951 1.00 20.88 O +ATOM 1404 NE2 GLN A 189 61.157 19.732 16.154 1.00 21.31 N +ATOM 1405 N ASN A 190 60.767 26.998 16.700 1.00 25.92 N +ATOM 1406 CA ASN A 190 60.666 28.349 16.151 1.00 26.80 C +ATOM 1407 C ASN A 190 60.650 29.330 17.320 1.00 27.78 C +ATOM 1408 O ASN A 190 60.367 28.944 18.459 1.00 28.21 O +ATOM 1409 CB ASN A 190 59.553 28.508 15.152 1.00 27.06 C +ATOM 1410 CG ASN A 190 58.188 28.859 15.698 1.00 27.46 C +ATOM 1411 OD1 ASN A 190 57.920 28.734 16.899 1.00 27.71 O +ATOM 1412 ND2 ASN A 190 57.325 29.302 14.780 1.00 27.02 N +ATOM 1413 N ASP A 191 60.963 30.591 17.033 1.00 28.70 N +ATOM 1414 CA ASP A 191 60.991 31.614 18.074 1.00 29.10 C +ATOM 1415 C ASP A 191 59.613 31.850 18.677 1.00 28.78 C +ATOM 1416 O ASP A 191 59.515 32.053 19.895 1.00 28.97 O +ATOM 1417 CB ASP A 191 61.605 32.906 17.536 1.00 29.74 C +ATOM 1418 CG ASP A 191 63.064 32.750 17.148 1.00 30.28 C +ATOM 1419 OD1 ASP A 191 63.806 31.932 17.732 1.00 29.87 O +ATOM 1420 OD2 ASP A 191 63.492 33.473 16.224 1.00 31.09 O +ATOM 1421 N GLU A 192 58.551 31.804 17.890 1.00 28.49 N +ATOM 1422 CA GLU A 192 57.206 31.978 18.449 1.00 28.94 C +ATOM 1423 C GLU A 192 56.983 30.996 19.591 1.00 28.81 C +ATOM 1424 O GLU A 192 56.736 31.395 20.729 1.00 29.39 O +ATOM 1425 CB GLU A 192 56.138 31.790 17.371 1.00 29.50 C +ATOM 1426 CG GLU A 192 56.104 32.923 16.357 1.00 30.19 C +ATOM 1427 CD GLU A 192 55.867 34.251 17.057 1.00 31.03 C +ATOM 1428 OE1 GLU A 192 54.709 34.542 17.406 1.00 31.45 O +ATOM 1429 OE2 GLU A 192 56.857 34.974 17.273 1.00 31.37 O +ATOM 1430 N MET A 193 57.161 29.703 19.313 1.00 28.32 N +ATOM 1431 CA MET A 193 57.027 28.692 20.353 1.00 28.03 C +ATOM 1432 C MET A 193 57.991 28.950 21.496 1.00 28.02 C +ATOM 1433 O MET A 193 57.565 28.846 22.649 1.00 28.57 O +ATOM 1434 CB MET A 193 57.211 27.285 19.785 1.00 27.20 C +ATOM 1435 CG MET A 193 56.054 26.910 18.865 1.00 27.22 C +ATOM 1436 SD MET A 193 56.122 25.185 18.350 1.00 27.01 S +ATOM 1437 CE MET A 193 57.681 25.209 17.439 1.00 27.24 C +ATOM 1438 N ALA A 194 59.248 29.281 21.209 1.00 28.25 N +ATOM 1439 CA ALA A 194 60.208 29.578 22.276 1.00 28.49 C +ATOM 1440 C ALA A 194 59.739 30.722 23.172 1.00 28.36 C +ATOM 1441 O ALA A 194 59.779 30.642 24.401 1.00 28.12 O +ATOM 1442 CB ALA A 194 61.564 29.913 21.667 1.00 28.64 C +ATOM 1443 N LEU A 195 59.266 31.804 22.568 1.00 28.95 N +ATOM 1444 CA LEU A 195 58.768 32.958 23.327 1.00 30.29 C +ATOM 1445 C LEU A 195 57.544 32.551 24.135 1.00 31.11 C +ATOM 1446 O LEU A 195 57.468 32.808 25.339 1.00 31.14 O +ATOM 1447 CB LEU A 195 58.501 34.131 22.385 1.00 30.06 C +ATOM 1448 CG LEU A 195 59.770 34.704 21.728 1.00 30.14 C +ATOM 1449 CD1 LEU A 195 59.414 35.542 20.512 1.00 30.49 C +ATOM 1450 CD2 LEU A 195 60.577 35.523 22.724 1.00 30.40 C +ATOM 1451 N GLY A 196 56.629 31.811 23.503 1.00 31.87 N +ATOM 1452 CA GLY A 196 55.469 31.267 24.204 1.00 33.08 C +ATOM 1453 C GLY A 196 55.932 30.461 25.414 1.00 33.79 C +ATOM 1454 O GLY A 196 55.455 30.687 26.527 1.00 34.06 O +ATOM 1455 N ALA A 197 56.875 29.540 25.218 1.00 34.27 N +ATOM 1456 CA ALA A 197 57.426 28.721 26.285 1.00 35.01 C +ATOM 1457 C ALA A 197 58.106 29.551 27.368 1.00 35.93 C +ATOM 1458 O ALA A 197 58.041 29.191 28.544 1.00 35.87 O +ATOM 1459 CB ALA A 197 58.412 27.708 25.717 1.00 34.39 C +ATOM 1460 N LEU A 198 58.773 30.636 26.987 1.00 37.35 N +ATOM 1461 CA LEU A 198 59.412 31.552 27.918 1.00 39.26 C +ATOM 1462 C LEU A 198 58.377 32.195 28.846 1.00 40.51 C +ATOM 1463 O LEU A 198 58.572 32.275 30.053 1.00 39.83 O +ATOM 1464 CB LEU A 198 60.122 32.689 27.173 1.00 39.00 C +ATOM 1465 CG LEU A 198 61.616 32.552 26.904 1.00 39.24 C +ATOM 1466 CD1 LEU A 198 62.160 33.860 26.344 1.00 39.47 C +ATOM 1467 CD2 LEU A 198 62.383 32.143 28.154 1.00 39.04 C +ATOM 1468 N ARG A 199 57.283 32.650 28.241 1.00 42.55 N +ATOM 1469 CA ARG A 199 56.167 33.250 28.970 1.00 44.92 C +ATOM 1470 C ARG A 199 55.617 32.239 29.969 1.00 45.46 C +ATOM 1471 O ARG A 199 55.486 32.554 31.152 1.00 45.74 O +ATOM 1472 CB ARG A 199 55.116 33.744 27.995 1.00 46.26 C +ATOM 1473 CG ARG A 199 53.816 34.352 28.425 1.00 48.00 C +ATOM 1474 CD ARG A 199 53.768 34.986 29.794 1.00 49.61 C +ATOM 1475 NE ARG A 199 54.779 35.999 30.036 1.00 50.95 N +ATOM 1476 CZ ARG A 199 54.922 37.148 29.390 1.00 52.13 C +ATOM 1477 NH1 ARG A 199 54.104 37.489 28.400 1.00 52.56 N +ATOM 1478 NH2 ARG A 199 55.907 37.978 29.731 1.00 52.44 N +ATOM 1479 N ALA A 200 55.391 31.004 29.540 1.00 46.00 N +ATOM 1480 CA ALA A 200 54.928 29.953 30.437 1.00 46.80 C +ATOM 1481 C ALA A 200 55.874 29.734 31.613 1.00 47.59 C +ATOM 1482 O ALA A 200 55.434 29.656 32.765 1.00 47.75 O +ATOM 1483 CB ALA A 200 54.740 28.654 29.664 1.00 46.70 C +ATOM 1484 N LEU A 201 57.173 29.630 31.367 1.00 48.54 N +ATOM 1485 CA LEU A 201 58.157 29.408 32.420 1.00 49.72 C +ATOM 1486 C LEU A 201 58.263 30.592 33.370 1.00 51.00 C +ATOM 1487 O LEU A 201 58.407 30.413 34.580 1.00 50.99 O +ATOM 1488 CB LEU A 201 59.530 29.090 31.828 1.00 49.23 C +ATOM 1489 CG LEU A 201 59.676 27.688 31.222 1.00 48.95 C +ATOM 1490 CD1 LEU A 201 60.540 27.748 29.971 1.00 48.64 C +ATOM 1491 CD2 LEU A 201 60.253 26.720 32.244 1.00 48.60 C +ATOM 1492 N GLN A 202 58.161 31.805 32.839 1.00 52.41 N +ATOM 1493 CA GLN A 202 58.203 33.019 33.656 1.00 54.14 C +ATOM 1494 C GLN A 202 57.056 33.028 34.658 1.00 54.64 C +ATOM 1495 O GLN A 202 57.230 33.275 35.849 1.00 54.45 O +ATOM 1496 CB GLN A 202 58.190 34.232 32.734 1.00 54.66 C +ATOM 1497 CG GLN A 202 57.637 35.516 33.316 1.00 55.67 C +ATOM 1498 CD GLN A 202 58.657 36.636 33.247 1.00 56.26 C +ATOM 1499 OE1 GLN A 202 58.684 37.412 32.288 1.00 56.53 O +ATOM 1500 NE2 GLN A 202 59.502 36.710 34.272 1.00 56.48 N +ATOM 1501 N THR A 203 55.859 32.690 34.204 1.00 55.51 N +ATOM 1502 CA THR A 203 54.651 32.586 35.001 1.00 56.19 C +ATOM 1503 C THR A 203 54.733 31.540 36.100 1.00 56.88 C +ATOM 1504 O THR A 203 54.155 31.722 37.180 1.00 57.19 O +ATOM 1505 CB THR A 203 53.464 32.278 34.058 1.00 56.18 C +ATOM 1506 OG1 THR A 203 53.304 33.403 33.179 1.00 56.01 O +ATOM 1507 CG2 THR A 203 52.168 32.033 34.805 1.00 56.30 C +ATOM 1508 N ALA A 204 55.453 30.442 35.884 1.00 57.59 N +ATOM 1509 CA ALA A 204 55.604 29.402 36.895 1.00 58.21 C +ATOM 1510 C ALA A 204 56.805 29.647 37.801 1.00 58.78 C +ATOM 1511 O ALA A 204 57.037 28.882 38.740 1.00 58.84 O +ATOM 1512 CB ALA A 204 55.699 28.034 36.232 1.00 58.07 C +ATOM 1513 N GLY A 205 57.578 30.694 37.543 1.00 59.31 N +ATOM 1514 CA GLY A 205 58.747 31.035 38.338 1.00 60.06 C +ATOM 1515 C GLY A 205 59.946 30.153 38.016 1.00 60.55 C +ATOM 1516 O GLY A 205 60.749 29.808 38.886 1.00 60.76 O +ATOM 1517 N LYS A 206 60.066 29.779 36.746 1.00 60.90 N +ATOM 1518 CA LYS A 206 61.141 28.906 36.295 1.00 61.07 C +ATOM 1519 C LYS A 206 61.887 29.494 35.107 1.00 60.90 C +ATOM 1520 O LYS A 206 61.839 28.984 33.988 1.00 60.99 O +ATOM 1521 CB LYS A 206 60.553 27.530 35.962 1.00 61.45 C +ATOM 1522 CG LYS A 206 60.387 26.609 37.158 1.00 61.81 C +ATOM 1523 CD LYS A 206 61.605 25.709 37.322 1.00 62.26 C +ATOM 1524 CE LYS A 206 61.258 24.262 37.004 1.00 62.56 C +ATOM 1525 NZ LYS A 206 62.371 23.331 37.347 1.00 62.85 N +ATOM 1526 N SER A 207 62.638 30.569 35.350 1.00 60.36 N +ATOM 1527 CA SER A 207 63.436 31.216 34.316 1.00 59.49 C +ATOM 1528 C SER A 207 64.874 30.706 34.334 1.00 58.22 C +ATOM 1529 O SER A 207 65.736 31.182 33.602 1.00 58.38 O +ATOM 1530 CB SER A 207 63.414 32.736 34.431 1.00 60.03 C +ATOM 1531 OG SER A 207 62.666 33.198 35.539 1.00 60.47 O +ATOM 1532 N ASP A 208 65.139 29.693 35.147 1.00 56.37 N +ATOM 1533 CA ASP A 208 66.415 29.022 35.276 1.00 54.40 C +ATOM 1534 C ASP A 208 66.526 27.896 34.246 1.00 51.85 C +ATOM 1535 O ASP A 208 67.592 27.314 34.054 1.00 51.97 O +ATOM 1536 CB ASP A 208 66.598 28.426 36.676 1.00 55.48 C +ATOM 1537 CG ASP A 208 65.334 27.767 37.199 1.00 56.28 C +ATOM 1538 OD1 ASP A 208 64.439 28.510 37.664 1.00 56.86 O +ATOM 1539 OD2 ASP A 208 65.208 26.525 37.158 1.00 56.60 O +ATOM 1540 N VAL A 209 65.401 27.571 33.627 1.00 48.27 N +ATOM 1541 CA VAL A 209 65.300 26.553 32.590 1.00 44.86 C +ATOM 1542 C VAL A 209 65.601 27.225 31.253 1.00 42.15 C +ATOM 1543 O VAL A 209 64.797 28.041 30.809 1.00 41.84 O +ATOM 1544 CB VAL A 209 63.893 25.929 32.554 1.00 44.78 C +ATOM 1545 CG1 VAL A 209 63.708 24.987 31.373 1.00 44.60 C +ATOM 1546 CG2 VAL A 209 63.617 25.200 33.860 1.00 44.63 C +ATOM 1547 N MET A 210 66.738 26.921 30.640 1.00 38.92 N +ATOM 1548 CA MET A 210 67.100 27.586 29.391 1.00 35.87 C +ATOM 1549 C MET A 210 66.184 27.194 28.241 1.00 33.98 C +ATOM 1550 O MET A 210 65.769 26.048 28.101 1.00 34.06 O +ATOM 1551 CB MET A 210 68.565 27.329 29.049 1.00 35.78 C +ATOM 1552 CG MET A 210 68.823 26.327 27.936 1.00 35.43 C +ATOM 1553 SD MET A 210 70.540 25.831 27.845 1.00 34.43 S +ATOM 1554 CE MET A 210 70.768 25.076 29.442 1.00 35.20 C +ATOM 1555 N VAL A 211 65.863 28.176 27.399 1.00 31.13 N +ATOM 1556 CA VAL A 211 65.060 27.942 26.211 1.00 28.69 C +ATOM 1557 C VAL A 211 65.883 28.320 24.974 1.00 27.83 C +ATOM 1558 O VAL A 211 66.523 29.376 24.962 1.00 27.50 O +ATOM 1559 CB VAL A 211 63.750 28.744 26.212 1.00 28.38 C +ATOM 1560 CG1 VAL A 211 62.955 28.467 24.938 1.00 28.12 C +ATOM 1561 CG2 VAL A 211 62.891 28.431 27.429 1.00 28.11 C +ATOM 1562 N VAL A 212 65.873 27.474 23.950 1.00 25.71 N +ATOM 1563 CA VAL A 212 66.595 27.722 22.710 1.00 24.18 C +ATOM 1564 C VAL A 212 65.577 27.739 21.575 1.00 23.81 C +ATOM 1565 O VAL A 212 64.870 26.742 21.410 1.00 24.63 O +ATOM 1566 CB VAL A 212 67.687 26.678 22.428 1.00 23.39 C +ATOM 1567 CG1 VAL A 212 68.236 26.814 21.014 1.00 22.68 C +ATOM 1568 CG2 VAL A 212 68.846 26.769 23.410 1.00 22.75 C +ATOM 1569 N GLY A 213 65.488 28.820 20.816 1.00 23.54 N +ATOM 1570 CA GLY A 213 64.518 28.931 19.733 1.00 23.67 C +ATOM 1571 C GLY A 213 65.103 28.596 18.370 1.00 24.45 C +ATOM 1572 O GLY A 213 66.089 27.865 18.221 1.00 24.86 O +ATOM 1573 N PHE A 214 64.493 29.127 17.320 1.00 25.14 N +ATOM 1574 CA PHE A 214 64.959 28.886 15.961 1.00 26.79 C +ATOM 1575 C PHE A 214 64.280 29.862 15.015 1.00 28.21 C +ATOM 1576 O PHE A 214 63.067 30.027 15.135 1.00 28.49 O +ATOM 1577 CB PHE A 214 64.622 27.447 15.546 1.00 26.04 C +ATOM 1578 CG PHE A 214 65.335 26.940 14.327 1.00 25.49 C +ATOM 1579 CD1 PHE A 214 65.148 27.510 13.083 1.00 24.88 C +ATOM 1580 CD2 PHE A 214 66.206 25.859 14.434 1.00 25.39 C +ATOM 1581 CE1 PHE A 214 65.823 27.033 11.974 1.00 25.27 C +ATOM 1582 CE2 PHE A 214 66.869 25.370 13.327 1.00 24.94 C +ATOM 1583 CZ PHE A 214 66.680 25.956 12.096 1.00 25.06 C +ATOM 1584 N ASP A 215 64.986 30.447 14.068 1.00 30.04 N +ATOM 1585 CA ASP A 215 64.485 31.328 13.037 1.00 32.21 C +ATOM 1586 C ASP A 215 65.250 32.660 13.008 1.00 33.53 C +ATOM 1587 O ASP A 215 65.485 33.212 11.935 1.00 34.13 O +ATOM 1588 CB ASP A 215 62.995 31.639 13.082 1.00 32.59 C +ATOM 1589 CG ASP A 215 62.118 30.658 12.336 1.00 33.26 C +ATOM 1590 OD1 ASP A 215 62.641 29.788 11.614 1.00 33.81 O +ATOM 1591 OD2 ASP A 215 60.886 30.763 12.503 1.00 33.42 O +ATOM 1592 N GLY A 216 65.629 33.149 14.183 1.00 34.49 N +ATOM 1593 CA GLY A 216 66.357 34.401 14.300 1.00 35.75 C +ATOM 1594 C GLY A 216 65.493 35.617 13.984 1.00 36.65 C +ATOM 1595 O GLY A 216 65.988 36.591 13.413 1.00 36.96 O +ATOM 1596 N THR A 217 64.219 35.577 14.351 1.00 37.00 N +ATOM 1597 CA THR A 217 63.287 36.672 14.122 1.00 37.25 C +ATOM 1598 C THR A 217 63.628 37.883 14.982 1.00 37.84 C +ATOM 1599 O THR A 217 64.301 37.772 16.006 1.00 37.58 O +ATOM 1600 CB THR A 217 61.844 36.256 14.476 1.00 36.73 C +ATOM 1601 OG1 THR A 217 61.796 35.941 15.874 1.00 36.00 O +ATOM 1602 CG2 THR A 217 61.400 35.038 13.689 1.00 36.66 C +ATOM 1603 N PRO A 218 63.080 39.033 14.616 1.00 38.53 N +ATOM 1604 CA PRO A 218 63.262 40.263 15.372 1.00 39.13 C +ATOM 1605 C PRO A 218 62.917 40.060 16.836 1.00 39.81 C +ATOM 1606 O PRO A 218 63.714 40.409 17.709 1.00 39.88 O +ATOM 1607 CB PRO A 218 62.330 41.256 14.695 1.00 38.75 C +ATOM 1608 CG PRO A 218 62.192 40.753 13.300 1.00 38.74 C +ATOM 1609 CD PRO A 218 62.229 39.251 13.421 1.00 38.76 C +ATOM 1610 N ASP A 219 61.757 39.459 17.104 1.00 40.85 N +ATOM 1611 CA ASP A 219 61.326 39.181 18.469 1.00 42.05 C +ATOM 1612 C ASP A 219 62.239 38.172 19.147 1.00 42.23 C +ATOM 1613 O ASP A 219 62.584 38.339 20.321 1.00 42.50 O +ATOM 1614 CB ASP A 219 59.877 38.697 18.495 1.00 43.03 C +ATOM 1615 CG ASP A 219 58.853 39.805 18.355 1.00 43.73 C +ATOM 1616 OD1 ASP A 219 59.167 40.976 18.685 1.00 44.41 O +ATOM 1617 OD2 ASP A 219 57.722 39.529 17.911 1.00 43.79 O +ATOM 1618 N GLY A 220 62.650 37.134 18.421 1.00 42.28 N +ATOM 1619 CA GLY A 220 63.538 36.115 18.959 1.00 42.18 C +ATOM 1620 C GLY A 220 64.900 36.684 19.334 1.00 42.15 C +ATOM 1621 O GLY A 220 65.372 36.527 20.463 1.00 41.36 O +ATOM 1622 N GLU A 221 65.534 37.389 18.397 1.00 42.67 N +ATOM 1623 CA GLU A 221 66.849 37.987 18.644 1.00 43.25 C +ATOM 1624 C GLU A 221 66.786 39.048 19.735 1.00 43.06 C +ATOM 1625 O GLU A 221 67.666 39.116 20.596 1.00 42.96 O +ATOM 1626 CB GLU A 221 67.475 38.519 17.354 1.00 43.89 C +ATOM 1627 CG GLU A 221 67.975 37.408 16.443 1.00 44.57 C +ATOM 1628 CD GLU A 221 68.644 37.891 15.175 1.00 45.24 C +ATOM 1629 OE1 GLU A 221 68.844 39.118 15.022 1.00 45.98 O +ATOM 1630 OE2 GLU A 221 68.981 37.053 14.310 1.00 44.88 O +ATOM 1631 N LYS A 222 65.703 39.817 19.793 1.00 43.24 N +ATOM 1632 CA LYS A 222 65.489 40.784 20.863 1.00 42.99 C +ATOM 1633 C LYS A 222 65.515 40.080 22.217 1.00 42.16 C +ATOM 1634 O LYS A 222 66.189 40.510 23.152 1.00 42.11 O +ATOM 1635 CB LYS A 222 64.150 41.503 20.671 1.00 43.73 C +ATOM 1636 CG LYS A 222 63.597 42.121 21.943 1.00 44.49 C +ATOM 1637 CD LYS A 222 62.199 42.699 21.756 1.00 45.21 C +ATOM 1638 CE LYS A 222 62.063 43.979 22.580 1.00 45.54 C +ATOM 1639 NZ LYS A 222 63.138 44.956 22.224 1.00 45.66 N +ATOM 1640 N ALA A 223 64.795 38.969 22.327 1.00 41.40 N +ATOM 1641 CA ALA A 223 64.725 38.179 23.548 1.00 40.81 C +ATOM 1642 C ALA A 223 66.087 37.675 23.998 1.00 40.36 C +ATOM 1643 O ALA A 223 66.379 37.591 25.191 1.00 39.94 O +ATOM 1644 CB ALA A 223 63.763 37.010 23.346 1.00 40.95 C +ATOM 1645 N VAL A 224 66.947 37.322 23.050 1.00 40.62 N +ATOM 1646 CA VAL A 224 68.298 36.866 23.358 1.00 41.20 C +ATOM 1647 C VAL A 224 69.147 38.008 23.913 1.00 41.90 C +ATOM 1648 O VAL A 224 69.868 37.837 24.897 1.00 42.07 O +ATOM 1649 CB VAL A 224 68.988 36.257 22.128 1.00 40.67 C +ATOM 1650 CG1 VAL A 224 70.422 35.887 22.461 1.00 40.32 C +ATOM 1651 CG2 VAL A 224 68.229 35.025 21.653 1.00 40.59 C +ATOM 1652 N ASN A 225 69.036 39.190 23.313 1.00 42.71 N +ATOM 1653 CA ASN A 225 69.784 40.362 23.755 1.00 43.80 C +ATOM 1654 C ASN A 225 69.372 40.797 25.156 1.00 44.05 C +ATOM 1655 O ASN A 225 70.226 41.244 25.924 1.00 44.18 O +ATOM 1656 CB ASN A 225 69.622 41.536 22.786 1.00 44.32 C +ATOM 1657 CG ASN A 225 70.012 41.181 21.367 1.00 45.11 C +ATOM 1658 OD1 ASN A 225 70.902 40.355 21.144 1.00 45.66 O +ATOM 1659 ND2 ASN A 225 69.352 41.802 20.396 1.00 45.08 N +ATOM 1660 N ASP A 226 68.099 40.621 25.512 1.00 44.24 N +ATOM 1661 CA ASP A 226 67.597 40.956 26.830 1.00 44.47 C +ATOM 1662 C ASP A 226 67.994 39.955 27.907 1.00 44.16 C +ATOM 1663 O ASP A 226 67.732 40.197 29.089 1.00 44.00 O +ATOM 1664 CB ASP A 226 66.065 41.041 26.819 1.00 45.27 C +ATOM 1665 CG ASP A 226 65.529 42.126 25.911 1.00 46.04 C +ATOM 1666 OD1 ASP A 226 66.280 43.080 25.612 1.00 46.27 O +ATOM 1667 OD2 ASP A 226 64.353 42.020 25.493 1.00 46.34 O +ATOM 1668 N GLY A 227 68.548 38.807 27.539 1.00 43.90 N +ATOM 1669 CA GLY A 227 68.937 37.784 28.489 1.00 43.46 C +ATOM 1670 C GLY A 227 67.758 36.888 28.861 1.00 43.25 C +ATOM 1671 O GLY A 227 67.830 36.199 29.881 1.00 43.79 O +ATOM 1672 N LYS A 228 66.702 36.886 28.060 1.00 42.56 N +ATOM 1673 CA LYS A 228 65.534 36.048 28.331 1.00 41.83 C +ATOM 1674 C LYS A 228 65.663 34.708 27.614 1.00 40.34 C +ATOM 1675 O LYS A 228 65.670 33.640 28.227 1.00 39.81 O +ATOM 1676 CB LYS A 228 64.268 36.792 27.909 1.00 42.71 C +ATOM 1677 CG LYS A 228 63.830 37.826 28.945 1.00 43.72 C +ATOM 1678 CD LYS A 228 63.336 39.097 28.278 1.00 44.60 C +ATOM 1679 CE LYS A 228 61.986 38.919 27.601 1.00 45.28 C +ATOM 1680 NZ LYS A 228 61.959 39.607 26.274 1.00 45.62 N +ATOM 1681 N LEU A 229 65.818 34.770 26.295 1.00 38.39 N +ATOM 1682 CA LEU A 229 66.032 33.595 25.463 1.00 36.55 C +ATOM 1683 C LEU A 229 67.508 33.208 25.480 1.00 35.03 C +ATOM 1684 O LEU A 229 68.342 34.053 25.131 1.00 35.17 O +ATOM 1685 CB LEU A 229 65.631 33.901 24.024 1.00 36.55 C +ATOM 1686 CG LEU A 229 64.622 33.015 23.306 1.00 36.78 C +ATOM 1687 CD1 LEU A 229 64.794 33.168 21.797 1.00 36.50 C +ATOM 1688 CD2 LEU A 229 64.727 31.553 23.701 1.00 36.63 C +ATOM 1689 N ALA A 230 67.853 31.972 25.820 1.00 32.90 N +ATOM 1690 CA ALA A 230 69.257 31.566 25.853 1.00 31.25 C +ATOM 1691 C ALA A 230 69.907 31.653 24.475 1.00 29.88 C +ATOM 1692 O ALA A 230 71.080 32.023 24.383 1.00 30.13 O +ATOM 1693 CB ALA A 230 69.443 30.183 26.454 1.00 30.69 C +ATOM 1694 N ALA A 231 69.187 31.320 23.416 1.00 28.16 N +ATOM 1695 CA ALA A 231 69.736 31.394 22.076 1.00 26.62 C +ATOM 1696 C ALA A 231 68.669 31.220 21.006 1.00 25.88 C +ATOM 1697 O ALA A 231 67.520 30.884 21.279 1.00 26.04 O +ATOM 1698 CB ALA A 231 70.806 30.311 21.897 1.00 26.49 C +ATOM 1699 N THR A 232 69.076 31.443 19.762 1.00 24.73 N +ATOM 1700 CA THR A 232 68.232 31.193 18.611 1.00 23.50 C +ATOM 1701 C THR A 232 69.151 30.814 17.444 1.00 23.18 C +ATOM 1702 O THR A 232 70.370 30.956 17.509 1.00 22.60 O +ATOM 1703 CB THR A 232 67.265 32.293 18.198 1.00 23.50 C +ATOM 1704 OG1 THR A 232 66.402 31.769 17.161 1.00 22.86 O +ATOM 1705 CG2 THR A 232 67.989 33.527 17.681 1.00 22.89 C +ATOM 1706 N ILE A 233 68.541 30.243 16.418 1.00 23.16 N +ATOM 1707 CA ILE A 233 69.251 29.808 15.225 1.00 23.02 C +ATOM 1708 C ILE A 233 68.831 30.719 14.079 1.00 23.44 C +ATOM 1709 O ILE A 233 67.684 30.597 13.640 1.00 23.81 O +ATOM 1710 CB ILE A 233 68.898 28.354 14.869 1.00 22.59 C +ATOM 1711 CG1 ILE A 233 69.113 27.407 16.047 1.00 22.31 C +ATOM 1712 CG2 ILE A 233 69.679 27.897 13.643 1.00 22.99 C +ATOM 1713 CD1 ILE A 233 70.484 27.365 16.655 1.00 21.67 C +ATOM 1714 N ALA A 234 69.711 31.611 13.623 1.00 23.53 N +ATOM 1715 CA ALA A 234 69.325 32.520 12.546 1.00 23.05 C +ATOM 1716 C ALA A 234 69.625 31.931 11.171 1.00 23.36 C +ATOM 1717 O ALA A 234 70.717 31.416 10.910 1.00 23.83 O +ATOM 1718 CB ALA A 234 70.028 33.858 12.707 1.00 23.09 C +ATOM 1719 N GLN A 235 68.640 32.023 10.286 1.00 23.14 N +ATOM 1720 CA GLN A 235 68.791 31.541 8.929 1.00 23.23 C +ATOM 1721 C GLN A 235 69.536 32.606 8.150 1.00 23.07 C +ATOM 1722 O GLN A 235 69.602 33.778 8.539 1.00 23.21 O +ATOM 1723 CB GLN A 235 67.432 31.311 8.253 1.00 23.89 C +ATOM 1724 CG GLN A 235 66.484 30.516 9.147 1.00 25.25 C +ATOM 1725 CD GLN A 235 65.357 29.908 8.329 1.00 26.20 C +ATOM 1726 OE1 GLN A 235 65.600 29.413 7.223 1.00 26.16 O +ATOM 1727 NE2 GLN A 235 64.143 29.932 8.862 1.00 26.65 N +ATOM 1728 N LEU A 236 70.004 32.234 6.974 1.00 22.09 N +ATOM 1729 CA LEU A 236 70.707 33.172 6.101 1.00 21.69 C +ATOM 1730 C LEU A 236 70.008 33.173 4.749 1.00 21.59 C +ATOM 1731 O LEU A 236 70.483 32.576 3.782 1.00 21.85 O +ATOM 1732 CB LEU A 236 72.176 32.759 5.982 1.00 20.71 C +ATOM 1733 CG LEU A 236 72.937 32.407 7.264 1.00 20.89 C +ATOM 1734 CD1 LEU A 236 74.330 31.876 6.954 1.00 20.86 C +ATOM 1735 CD2 LEU A 236 73.056 33.618 8.195 1.00 20.87 C +ATOM 1736 N PRO A 237 68.886 33.876 4.660 1.00 21.21 N +ATOM 1737 CA PRO A 237 68.067 33.943 3.470 1.00 21.18 C +ATOM 1738 C PRO A 237 68.801 34.437 2.245 1.00 21.18 C +ATOM 1739 O PRO A 237 68.582 33.940 1.138 1.00 20.27 O +ATOM 1740 CB PRO A 237 66.895 34.858 3.846 1.00 21.12 C +ATOM 1741 CG PRO A 237 67.389 35.644 5.015 1.00 20.67 C +ATOM 1742 CD PRO A 237 68.254 34.661 5.757 1.00 21.19 C +ATOM 1743 N ASP A 238 69.703 35.392 2.434 1.00 21.76 N +ATOM 1744 CA ASP A 238 70.518 35.902 1.326 1.00 22.32 C +ATOM 1745 C ASP A 238 71.332 34.754 0.735 1.00 21.99 C +ATOM 1746 O ASP A 238 71.400 34.601 -0.485 1.00 21.68 O +ATOM 1747 CB ASP A 238 71.370 37.071 1.812 1.00 23.46 C +ATOM 1748 CG ASP A 238 72.726 36.737 2.399 1.00 24.64 C +ATOM 1749 OD1 ASP A 238 72.776 36.372 3.594 1.00 25.03 O +ATOM 1750 OD2 ASP A 238 73.747 36.842 1.670 1.00 24.98 O +ATOM 1751 N GLN A 239 71.878 33.884 1.579 1.00 21.98 N +ATOM 1752 CA GLN A 239 72.642 32.733 1.098 1.00 23.29 C +ATOM 1753 C GLN A 239 71.762 31.738 0.364 1.00 23.20 C +ATOM 1754 O GLN A 239 72.205 31.118 -0.613 1.00 23.55 O +ATOM 1755 CB GLN A 239 73.433 32.139 2.262 1.00 24.97 C +ATOM 1756 CG GLN A 239 74.785 32.850 2.451 1.00 28.26 C +ATOM 1757 CD GLN A 239 75.916 31.902 2.079 1.00 30.29 C +ATOM 1758 OE1 GLN A 239 75.960 31.386 0.955 1.00 31.66 O +ATOM 1759 NE2 GLN A 239 76.814 31.623 3.020 1.00 30.61 N +ATOM 1760 N ILE A 240 70.473 31.629 0.686 1.00 22.23 N +ATOM 1761 CA ILE A 240 69.562 30.764 -0.061 1.00 20.77 C +ATOM 1762 C ILE A 240 69.390 31.310 -1.474 1.00 20.25 C +ATOM 1763 O ILE A 240 69.467 30.572 -2.463 1.00 19.96 O +ATOM 1764 CB ILE A 240 68.186 30.650 0.617 1.00 20.44 C +ATOM 1765 CG1 ILE A 240 68.342 29.916 1.946 1.00 20.71 C +ATOM 1766 CG2 ILE A 240 67.183 29.962 -0.291 1.00 20.16 C +ATOM 1767 CD1 ILE A 240 67.086 29.941 2.789 1.00 21.40 C +ATOM 1768 N GLY A 241 69.159 32.625 -1.582 1.00 19.47 N +ATOM 1769 CA GLY A 241 69.028 33.235 -2.904 1.00 19.06 C +ATOM 1770 C GLY A 241 70.331 33.108 -3.703 1.00 19.18 C +ATOM 1771 O GLY A 241 70.326 32.801 -4.900 1.00 18.70 O +ATOM 1772 N ALA A 242 71.471 33.368 -3.069 1.00 19.44 N +ATOM 1773 CA ALA A 242 72.766 33.281 -3.745 1.00 20.60 C +ATOM 1774 C ALA A 242 73.027 31.861 -4.244 1.00 20.92 C +ATOM 1775 O ALA A 242 73.216 31.620 -5.440 1.00 20.58 O +ATOM 1776 CB ALA A 242 73.869 33.767 -2.811 1.00 20.21 C +ATOM 1777 N LYS A 243 72.928 30.873 -3.359 1.00 21.90 N +ATOM 1778 CA LYS A 243 73.115 29.473 -3.736 1.00 22.77 C +ATOM 1779 C LYS A 243 72.151 29.033 -4.820 1.00 22.89 C +ATOM 1780 O LYS A 243 72.507 28.223 -5.688 1.00 23.44 O +ATOM 1781 CB LYS A 243 72.998 28.564 -2.511 1.00 23.69 C +ATOM 1782 CG LYS A 243 73.501 27.146 -2.762 1.00 25.01 C +ATOM 1783 CD LYS A 243 74.998 27.151 -3.075 1.00 25.26 C +ATOM 1784 CE LYS A 243 75.525 25.728 -3.224 1.00 26.47 C +ATOM 1785 NZ LYS A 243 76.570 25.694 -4.300 1.00 27.21 N +ATOM 1786 N GLY A 244 70.931 29.557 -4.823 1.00 22.82 N +ATOM 1787 CA GLY A 244 69.964 29.225 -5.861 1.00 22.15 C +ATOM 1788 C GLY A 244 70.442 29.718 -7.220 1.00 22.20 C +ATOM 1789 O GLY A 244 70.342 29.005 -8.227 1.00 22.35 O +ATOM 1790 N VAL A 245 70.933 30.955 -7.270 1.00 21.85 N +ATOM 1791 CA VAL A 245 71.408 31.531 -8.528 1.00 21.85 C +ATOM 1792 C VAL A 245 72.621 30.763 -9.043 1.00 21.90 C +ATOM 1793 O VAL A 245 72.678 30.462 -10.230 1.00 20.85 O +ATOM 1794 CB VAL A 245 71.706 33.031 -8.405 1.00 22.35 C +ATOM 1795 CG1 VAL A 245 72.511 33.569 -9.587 1.00 22.50 C +ATOM 1796 CG2 VAL A 245 70.398 33.814 -8.313 1.00 22.28 C +ATOM 1797 N GLU A 246 73.538 30.405 -8.152 1.00 22.66 N +ATOM 1798 CA GLU A 246 74.729 29.654 -8.500 1.00 24.02 C +ATOM 1799 C GLU A 246 74.395 28.253 -8.999 1.00 23.77 C +ATOM 1800 O GLU A 246 74.997 27.803 -9.979 1.00 23.33 O +ATOM 1801 CB GLU A 246 75.688 29.577 -7.305 1.00 25.55 C +ATOM 1802 CG GLU A 246 77.035 28.978 -7.719 1.00 28.04 C +ATOM 1803 CD GLU A 246 77.459 27.910 -6.723 1.00 29.34 C +ATOM 1804 OE1 GLU A 246 77.013 26.750 -6.817 1.00 29.70 O +ATOM 1805 OE2 GLU A 246 78.235 28.282 -5.816 1.00 30.87 O +ATOM 1806 N THR A 247 73.414 27.595 -8.380 1.00 23.51 N +ATOM 1807 CA THR A 247 72.949 26.290 -8.840 1.00 23.01 C +ATOM 1808 C THR A 247 72.269 26.413 -10.201 1.00 23.41 C +ATOM 1809 O THR A 247 72.438 25.550 -11.072 1.00 23.06 O +ATOM 1810 CB THR A 247 71.999 25.620 -7.835 1.00 22.69 C +ATOM 1811 OG1 THR A 247 72.683 25.531 -6.572 1.00 21.81 O +ATOM 1812 CG2 THR A 247 71.602 24.231 -8.307 1.00 22.37 C +ATOM 1813 N ALA A 248 71.575 27.527 -10.445 1.00 22.88 N +ATOM 1814 CA ALA A 248 70.978 27.735 -11.762 1.00 23.48 C +ATOM 1815 C ALA A 248 72.104 27.812 -12.791 1.00 23.88 C +ATOM 1816 O ALA A 248 72.064 27.222 -13.870 1.00 24.40 O +ATOM 1817 CB ALA A 248 70.117 28.982 -11.780 1.00 23.24 C +ATOM 1818 N ASP A 249 73.161 28.543 -12.445 1.00 23.91 N +ATOM 1819 CA ASP A 249 74.340 28.738 -13.263 1.00 23.71 C +ATOM 1820 C ASP A 249 74.990 27.410 -13.635 1.00 24.17 C +ATOM 1821 O ASP A 249 75.229 27.140 -14.816 1.00 23.94 O +ATOM 1822 CB ASP A 249 75.326 29.648 -12.521 1.00 22.69 C +ATOM 1823 CG ASP A 249 76.627 29.827 -13.295 1.00 21.87 C +ATOM 1824 OD1 ASP A 249 76.554 30.295 -14.445 1.00 21.03 O +ATOM 1825 OD2 ASP A 249 77.686 29.484 -12.736 1.00 21.75 O +ATOM 1826 N LYS A 250 75.223 26.549 -12.647 1.00 25.11 N +ATOM 1827 CA LYS A 250 75.775 25.225 -12.897 1.00 26.57 C +ATOM 1828 C LYS A 250 74.867 24.424 -13.823 1.00 27.16 C +ATOM 1829 O LYS A 250 75.368 23.782 -14.752 1.00 28.11 O +ATOM 1830 CB LYS A 250 76.017 24.462 -11.596 1.00 26.66 C +ATOM 1831 CG LYS A 250 76.894 25.218 -10.612 1.00 27.58 C +ATOM 1832 CD LYS A 250 78.333 25.235 -11.119 1.00 28.56 C +ATOM 1833 CE LYS A 250 79.243 24.636 -10.053 1.00 28.96 C +ATOM 1834 NZ LYS A 250 79.567 25.709 -9.067 1.00 29.83 N +ATOM 1835 N VAL A 251 73.547 24.514 -13.663 1.00 27.26 N +ATOM 1836 CA VAL A 251 72.629 23.841 -14.577 1.00 27.24 C +ATOM 1837 C VAL A 251 72.807 24.393 -15.983 1.00 28.06 C +ATOM 1838 O VAL A 251 72.877 23.619 -16.947 1.00 28.49 O +ATOM 1839 CB VAL A 251 71.158 23.974 -14.138 1.00 26.71 C +ATOM 1840 CG1 VAL A 251 70.197 23.436 -15.188 1.00 26.03 C +ATOM 1841 CG2 VAL A 251 70.949 23.263 -12.807 1.00 26.00 C +ATOM 1842 N LEU A 252 72.903 25.717 -16.134 1.00 28.43 N +ATOM 1843 CA LEU A 252 73.075 26.322 -17.452 1.00 28.92 C +ATOM 1844 C LEU A 252 74.414 26.011 -18.103 1.00 29.62 C +ATOM 1845 O LEU A 252 74.528 26.047 -19.331 1.00 29.14 O +ATOM 1846 CB LEU A 252 72.868 27.840 -17.367 1.00 28.80 C +ATOM 1847 CG LEU A 252 71.417 28.285 -17.152 1.00 28.72 C +ATOM 1848 CD1 LEU A 252 71.329 29.797 -17.051 1.00 28.50 C +ATOM 1849 CD2 LEU A 252 70.516 27.775 -18.273 1.00 28.82 C +ATOM 1850 N LYS A 253 75.428 25.637 -17.326 1.00 30.53 N +ATOM 1851 CA LYS A 253 76.736 25.289 -17.858 1.00 31.63 C +ATOM 1852 C LYS A 253 76.860 23.809 -18.173 1.00 33.17 C +ATOM 1853 O LYS A 253 77.962 23.285 -18.340 1.00 33.63 O +ATOM 1854 CB LYS A 253 77.821 25.741 -16.867 1.00 30.65 C +ATOM 1855 CG LYS A 253 77.997 27.246 -16.870 1.00 29.91 C +ATOM 1856 CD LYS A 253 78.783 27.773 -15.675 1.00 29.23 C +ATOM 1857 CE LYS A 253 79.098 29.250 -15.918 1.00 28.85 C +ATOM 1858 NZ LYS A 253 79.674 29.917 -14.722 1.00 28.06 N +ATOM 1859 N GLY A 254 75.742 23.086 -18.218 1.00 34.35 N +ATOM 1860 CA GLY A 254 75.703 21.683 -18.543 1.00 35.68 C +ATOM 1861 C GLY A 254 76.151 20.759 -17.428 1.00 36.86 C +ATOM 1862 O GLY A 254 76.480 19.598 -17.682 1.00 36.99 O +ATOM 1863 N GLU A 255 76.147 21.229 -16.191 1.00 37.84 N +ATOM 1864 CA GLU A 255 76.538 20.411 -15.052 1.00 38.80 C +ATOM 1865 C GLU A 255 75.347 19.704 -14.413 1.00 38.55 C +ATOM 1866 O GLU A 255 74.216 20.177 -14.517 1.00 38.48 O +ATOM 1867 CB GLU A 255 77.173 21.324 -13.998 1.00 40.19 C +ATOM 1868 CG GLU A 255 78.398 22.061 -14.527 1.00 41.99 C +ATOM 1869 CD GLU A 255 79.647 21.314 -14.071 1.00 43.40 C +ATOM 1870 OE1 GLU A 255 80.098 21.646 -12.948 1.00 44.24 O +ATOM 1871 OE2 GLU A 255 80.086 20.434 -14.844 1.00 43.23 O +ATOM 1872 N LYS A 256 75.607 18.598 -13.730 1.00 37.92 N +ATOM 1873 CA LYS A 256 74.550 17.887 -13.007 1.00 37.59 C +ATOM 1874 C LYS A 256 74.624 18.359 -11.554 1.00 36.75 C +ATOM 1875 O LYS A 256 75.709 18.374 -10.959 1.00 36.84 O +ATOM 1876 CB LYS A 256 74.686 16.372 -13.130 1.00 38.40 C +ATOM 1877 CG LYS A 256 73.792 15.775 -14.212 1.00 39.81 C +ATOM 1878 CD LYS A 256 74.527 14.763 -15.073 1.00 40.87 C +ATOM 1879 CE LYS A 256 73.689 14.385 -16.293 1.00 41.83 C +ATOM 1880 NZ LYS A 256 74.065 13.050 -16.860 1.00 42.60 N +ATOM 1881 N VAL A 257 73.498 18.808 -11.009 1.00 35.21 N +ATOM 1882 CA VAL A 257 73.486 19.362 -9.662 1.00 33.62 C +ATOM 1883 C VAL A 257 72.919 18.414 -8.621 1.00 33.19 C +ATOM 1884 O VAL A 257 72.115 17.559 -8.989 1.00 32.73 O +ATOM 1885 CB VAL A 257 72.660 20.669 -9.638 1.00 32.90 C +ATOM 1886 CG1 VAL A 257 73.364 21.735 -10.472 1.00 32.51 C +ATOM 1887 CG2 VAL A 257 71.254 20.432 -10.152 1.00 31.83 C +ATOM 1888 N GLN A 258 73.304 18.588 -7.355 1.00 32.81 N +ATOM 1889 CA GLN A 258 72.720 17.757 -6.307 1.00 33.32 C +ATOM 1890 C GLN A 258 71.235 18.127 -6.164 1.00 32.98 C +ATOM 1891 O GLN A 258 70.793 19.206 -6.565 1.00 32.25 O +ATOM 1892 CB GLN A 258 73.380 17.912 -4.948 1.00 34.27 C +ATOM 1893 CG GLN A 258 74.888 17.838 -4.905 1.00 36.01 C +ATOM 1894 CD GLN A 258 75.460 18.214 -3.553 1.00 37.49 C +ATOM 1895 OE1 GLN A 258 76.684 18.305 -3.394 1.00 38.13 O +ATOM 1896 NE2 GLN A 258 74.605 18.447 -2.550 1.00 37.99 N +ATOM 1897 N ALA A 259 70.480 17.211 -5.557 1.00 32.64 N +ATOM 1898 CA ALA A 259 69.054 17.412 -5.339 1.00 32.08 C +ATOM 1899 C ALA A 259 68.805 18.523 -4.322 1.00 31.47 C +ATOM 1900 O ALA A 259 67.861 19.292 -4.456 1.00 31.27 O +ATOM 1901 CB ALA A 259 68.420 16.112 -4.855 1.00 31.67 C +ATOM 1902 N LYS A 260 69.645 18.581 -3.301 1.00 31.03 N +ATOM 1903 CA LYS A 260 69.552 19.571 -2.249 1.00 31.45 C +ATOM 1904 C LYS A 260 70.910 20.195 -1.951 1.00 30.89 C +ATOM 1905 O LYS A 260 71.956 19.547 -2.073 1.00 30.30 O +ATOM 1906 CB LYS A 260 69.015 18.907 -0.967 1.00 33.05 C +ATOM 1907 CG LYS A 260 67.505 19.022 -0.784 1.00 34.48 C +ATOM 1908 CD LYS A 260 66.942 17.815 -0.049 1.00 35.63 C +ATOM 1909 CE LYS A 260 65.450 17.646 -0.312 1.00 36.32 C +ATOM 1910 NZ LYS A 260 64.739 17.153 0.910 1.00 36.71 N +ATOM 1911 N TYR A 261 70.903 21.462 -1.543 1.00 29.91 N +ATOM 1912 CA TYR A 261 72.090 22.184 -1.109 1.00 29.62 C +ATOM 1913 C TYR A 261 71.732 22.941 0.174 1.00 29.78 C +ATOM 1914 O TYR A 261 71.350 24.112 0.145 1.00 30.43 O +ATOM 1915 CB TYR A 261 72.599 23.178 -2.145 1.00 28.98 C +ATOM 1916 CG TYR A 261 73.188 22.585 -3.401 1.00 28.20 C +ATOM 1917 CD1 TYR A 261 74.485 22.089 -3.408 1.00 28.16 C +ATOM 1918 CD2 TYR A 261 72.448 22.521 -4.569 1.00 27.59 C +ATOM 1919 CE1 TYR A 261 75.035 21.545 -4.555 1.00 27.75 C +ATOM 1920 CE2 TYR A 261 72.985 21.976 -5.718 1.00 27.94 C +ATOM 1921 CZ TYR A 261 74.275 21.488 -5.699 1.00 27.85 C +ATOM 1922 OH TYR A 261 74.813 20.939 -6.846 1.00 28.35 O +ATOM 1923 N PRO A 262 71.774 22.250 1.304 1.00 29.35 N +ATOM 1924 CA PRO A 262 71.396 22.833 2.582 1.00 28.58 C +ATOM 1925 C PRO A 262 72.286 24.010 2.948 1.00 28.09 C +ATOM 1926 O PRO A 262 73.506 23.856 3.084 1.00 28.09 O +ATOM 1927 CB PRO A 262 71.485 21.681 3.567 1.00 28.77 C +ATOM 1928 CG PRO A 262 71.597 20.436 2.755 1.00 28.95 C +ATOM 1929 CD PRO A 262 72.214 20.842 1.443 1.00 28.72 C +ATOM 1930 N VAL A 263 71.679 25.176 3.125 1.00 27.50 N +ATOM 1931 CA VAL A 263 72.417 26.399 3.437 1.00 26.97 C +ATOM 1932 C VAL A 263 72.784 26.489 4.903 1.00 27.30 C +ATOM 1933 O VAL A 263 71.999 26.117 5.775 1.00 27.81 O +ATOM 1934 CB VAL A 263 71.593 27.609 2.962 1.00 26.52 C +ATOM 1935 CG1 VAL A 263 72.232 28.934 3.337 1.00 26.56 C +ATOM 1936 CG2 VAL A 263 71.401 27.535 1.458 1.00 26.26 C +ATOM 1937 N ASP A 264 73.970 26.998 5.215 1.00 27.36 N +ATOM 1938 CA ASP A 264 74.429 27.122 6.597 1.00 27.76 C +ATOM 1939 C ASP A 264 73.595 28.113 7.408 1.00 27.33 C +ATOM 1940 O ASP A 264 72.851 28.931 6.867 1.00 26.66 O +ATOM 1941 CB ASP A 264 75.891 27.542 6.601 1.00 28.04 C +ATOM 1942 CG ASP A 264 76.649 27.331 7.885 1.00 28.70 C +ATOM 1943 OD1 ASP A 264 76.091 26.870 8.898 1.00 28.48 O +ATOM 1944 OD2 ASP A 264 77.867 27.646 7.874 1.00 29.08 O +ATOM 1945 N LEU A 265 73.695 27.975 8.726 1.00 27.46 N +ATOM 1946 CA LEU A 265 72.957 28.869 9.612 1.00 28.90 C +ATOM 1947 C LEU A 265 73.811 29.163 10.839 1.00 29.81 C +ATOM 1948 O LEU A 265 74.821 28.495 11.051 1.00 29.47 O +ATOM 1949 CB LEU A 265 71.580 28.381 10.023 1.00 29.01 C +ATOM 1950 CG LEU A 265 71.247 26.899 9.866 1.00 28.92 C +ATOM 1951 CD1 LEU A 265 71.899 26.083 10.966 1.00 28.88 C +ATOM 1952 CD2 LEU A 265 69.737 26.716 9.848 1.00 28.99 C +ATOM 1953 N LYS A 266 73.415 30.183 11.601 1.00 30.99 N +ATOM 1954 CA LYS A 266 74.244 30.575 12.737 1.00 31.83 C +ATOM 1955 C LYS A 266 73.545 30.588 14.084 1.00 32.15 C +ATOM 1956 O LYS A 266 72.367 30.903 14.235 1.00 32.80 O +ATOM 1957 CB LYS A 266 74.910 31.909 12.429 1.00 32.64 C +ATOM 1958 CG LYS A 266 74.234 33.201 12.806 1.00 33.71 C +ATOM 1959 CD LYS A 266 75.188 34.069 13.620 1.00 35.02 C +ATOM 1960 CE LYS A 266 74.844 35.546 13.578 1.00 36.11 C +ATOM 1961 NZ LYS A 266 74.180 35.947 12.303 1.00 36.68 N +ATOM 1962 N LEU A 267 74.338 30.218 15.092 1.00 31.42 N +ATOM 1963 CA LEU A 267 73.881 30.227 16.475 1.00 31.56 C +ATOM 1964 C LEU A 267 73.950 31.666 17.006 1.00 32.66 C +ATOM 1965 O LEU A 267 75.006 32.302 16.947 1.00 32.51 O +ATOM 1966 CB LEU A 267 74.758 29.311 17.327 1.00 29.97 C +ATOM 1967 CG LEU A 267 74.543 29.385 18.834 1.00 29.09 C +ATOM 1968 CD1 LEU A 267 73.236 28.704 19.205 1.00 28.71 C +ATOM 1969 CD2 LEU A 267 75.724 28.789 19.585 1.00 28.78 C +ATOM 1970 N VAL A 268 72.828 32.180 17.490 1.00 33.53 N +ATOM 1971 CA VAL A 268 72.765 33.533 18.018 1.00 34.64 C +ATOM 1972 C VAL A 268 72.678 33.511 19.539 1.00 36.29 C +ATOM 1973 O VAL A 268 71.669 33.046 20.084 1.00 36.45 O +ATOM 1974 CB VAL A 268 71.569 34.308 17.445 1.00 34.31 C +ATOM 1975 CG1 VAL A 268 71.474 35.701 18.051 1.00 34.09 C +ATOM 1976 CG2 VAL A 268 71.673 34.402 15.928 1.00 34.20 C +ATOM 1977 N VAL A 269 73.730 33.958 20.220 1.00 37.97 N +ATOM 1978 CA VAL A 269 73.733 34.042 21.671 1.00 40.18 C +ATOM 1979 C VAL A 269 73.946 35.504 22.082 1.00 42.40 C +ATOM 1980 O VAL A 269 74.179 36.344 21.212 1.00 42.56 O +ATOM 1981 CB VAL A 269 74.787 33.176 22.369 1.00 39.90 C +ATOM 1982 CG1 VAL A 269 74.585 31.699 22.060 1.00 39.61 C +ATOM 1983 CG2 VAL A 269 76.198 33.618 21.995 1.00 39.59 C +ATOM 1984 N LYS A 270 73.813 35.792 23.371 1.00 45.02 N +ATOM 1985 CA LYS A 270 74.002 37.170 23.838 1.00 47.92 C +ATOM 1986 C LYS A 270 75.476 37.547 23.723 1.00 49.40 C +ATOM 1987 O LYS A 270 76.323 36.884 24.321 1.00 49.20 O +ATOM 1988 CB LYS A 270 73.488 37.313 25.268 1.00 48.30 C +ATOM 1989 CG LYS A 270 73.358 38.746 25.762 1.00 49.07 C +ATOM 1990 CD LYS A 270 73.899 38.866 27.183 1.00 49.77 C +ATOM 1991 CE LYS A 270 72.871 39.454 28.139 1.00 50.09 C +ATOM 1992 NZ LYS A 270 72.494 40.841 27.741 1.00 50.40 N +ATOM 1993 N GLN A 271 75.780 38.578 22.956 1.00 51.58 N +ATOM 1994 CA GLN A 271 77.111 39.101 22.704 1.00 53.59 C +ATOM 1995 C GLN A 271 77.640 38.694 21.318 1.00 54.24 C +ATOM 1996 O GLN A 271 78.795 38.203 21.216 1.00 54.40 O +ATOM 1997 CB GLN A 271 78.142 38.757 23.780 1.00 54.44 C +ATOM 1998 CG GLN A 271 78.463 39.896 24.731 1.00 55.69 C +ATOM 1999 CD GLN A 271 77.258 40.250 25.584 1.00 56.37 C +ATOM 2000 OE1 GLN A 271 77.108 39.714 26.683 1.00 56.97 O +ATOM 2001 NE2 GLN A 271 76.402 41.129 25.076 1.00 56.49 N +ATOM 2002 OXT GLN A 271 77.136 39.293 20.330 1.00 54.42 O +TER 2003 GLN A 271 +END diff --git a/bench/main_benchmark/structures/SFB_AL_RBP_1URPA_2DRIA/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_RBP_1URPA_2DRIA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ac04460f7e49ac76a2357081a5499d0eb8c773ae --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_RBP_1URPA_2DRIA/state_b.pdb @@ -0,0 +1,2467 @@ +ATOM 1 N LYS A 1 64.731 9.461 59.430 1.00 43.16 N +ATOM 2 CA LYS A 1 63.588 10.286 58.927 1.00 41.35 C +ATOM 3 C LYS A 1 63.790 10.671 57.468 1.00 39.62 C +ATOM 4 O LYS A 1 64.887 11.089 57.078 1.00 41.63 O +ATOM 5 CB LYS A 1 63.458 11.567 59.749 1.00 42.81 C +ATOM 6 CG LYS A 1 62.252 11.616 60.669 1.00 44.91 C +ATOM 7 CD LYS A 1 62.063 13.029 61.216 1.00 46.97 C +ATOM 8 CE LYS A 1 60.880 13.122 62.163 1.00 47.71 C +ATOM 9 NZ LYS A 1 61.113 12.350 63.419 1.00 51.04 N +ATOM 10 H1 LYS A 1 65.616 9.999 59.329 1.00 0.00 H +ATOM 11 H2 LYS A 1 64.578 9.229 60.434 1.00 0.00 H +ATOM 12 H3 LYS A 1 64.794 8.586 58.878 1.00 0.00 H +ATOM 13 HZ1 LYS A 1 61.288 11.352 63.187 1.00 0.00 H +ATOM 14 HZ2 LYS A 1 61.940 12.739 63.919 1.00 0.00 H +ATOM 15 HZ3 LYS A 1 60.274 12.422 64.028 1.00 0.00 H +ATOM 16 N ASP A 2 62.754 10.504 56.664 1.00 35.56 N +ATOM 17 CA ASP A 2 62.809 10.949 55.290 1.00 33.00 C +ATOM 18 C ASP A 2 62.710 12.475 55.222 1.00 30.50 C +ATOM 19 O ASP A 2 62.048 13.121 56.052 1.00 29.26 O +ATOM 20 CB ASP A 2 61.684 10.319 54.470 1.00 37.26 C +ATOM 21 CG ASP A 2 61.980 8.891 54.034 1.00 41.32 C +ATOM 22 OD1 ASP A 2 63.098 8.391 54.324 1.00 41.54 O +ATOM 23 OD2 ASP A 2 61.091 8.272 53.388 1.00 41.73 O +ATOM 24 H ASP A 2 61.944 10.072 56.998 1.00 0.00 H +ATOM 25 N THR A 3 63.375 13.040 54.248 1.00 26.49 N +ATOM 26 CA THR A 3 63.375 14.470 54.079 1.00 25.41 C +ATOM 27 C THR A 3 62.532 14.872 52.879 1.00 22.88 C +ATOM 28 O THR A 3 62.678 14.320 51.778 1.00 21.54 O +ATOM 29 CB THR A 3 64.820 14.996 53.905 1.00 26.38 C +ATOM 30 OG1 THR A 3 65.575 14.725 55.095 1.00 30.07 O +ATOM 31 CG2 THR A 3 64.825 16.495 53.651 1.00 28.45 C +ATOM 32 H THR A 3 63.877 12.482 53.617 1.00 0.00 H +ATOM 33 HG1 THR A 3 65.416 13.821 55.378 1.00 0.00 H +ATOM 34 N ILE A 4 61.604 15.778 53.126 1.00 22.33 N +ATOM 35 CA ILE A 4 60.826 16.388 52.059 1.00 21.43 C +ATOM 36 C ILE A 4 61.313 17.824 51.936 1.00 19.39 C +ATOM 37 O ILE A 4 61.613 18.470 52.943 1.00 19.57 O +ATOM 38 CB ILE A 4 59.310 16.405 52.376 1.00 23.26 C +ATOM 39 CG1 ILE A 4 58.822 14.983 52.686 1.00 24.37 C +ATOM 40 CG2 ILE A 4 58.537 16.987 51.190 1.00 20.12 C +ATOM 41 CD1 ILE A 4 57.331 14.900 52.931 1.00 25.23 C +ATOM 42 H ILE A 4 61.441 16.051 54.054 1.00 0.00 H +ATOM 43 N ALA A 5 61.430 18.321 50.740 1.00 17.34 N +ATOM 44 CA ALA A 5 61.876 19.690 50.584 1.00 16.20 C +ATOM 45 C ALA A 5 60.752 20.564 50.063 1.00 15.41 C +ATOM 46 O ALA A 5 59.968 20.137 49.207 1.00 14.55 O +ATOM 47 CB ALA A 5 63.076 19.752 49.647 1.00 16.67 C +ATOM 48 H ALA A 5 61.214 17.779 49.955 1.00 0.00 H +ATOM 49 N LEU A 6 60.670 21.765 50.613 1.00 14.20 N +ATOM 50 CA LEU A 6 59.723 22.759 50.152 1.00 14.05 C +ATOM 51 C LEU A 6 60.497 23.965 49.611 1.00 13.91 C +ATOM 52 O LEU A 6 61.218 24.634 50.362 1.00 14.81 O +ATOM 53 CB LEU A 6 58.809 23.212 51.304 1.00 12.74 C +ATOM 54 CG LEU A 6 57.937 24.444 51.011 1.00 15.46 C +ATOM 55 CD1 LEU A 6 56.952 24.141 49.881 1.00 14.90 C +ATOM 56 CD2 LEU A 6 57.200 24.887 52.263 1.00 18.72 C +ATOM 57 H LEU A 6 61.267 21.991 51.354 1.00 0.00 H +ATOM 58 N VAL A 7 60.391 24.200 48.315 1.00 11.88 N +ATOM 59 CA VAL A 7 61.025 25.364 47.694 1.00 13.15 C +ATOM 60 C VAL A 7 59.945 26.389 47.418 1.00 13.33 C +ATOM 61 O VAL A 7 59.096 26.186 46.540 1.00 13.37 O +ATOM 62 CB VAL A 7 61.743 25.011 46.361 1.00 14.74 C +ATOM 63 CG1 VAL A 7 62.340 26.275 45.727 1.00 13.28 C +ATOM 64 CG2 VAL A 7 62.861 24.001 46.627 1.00 15.09 C +ATOM 65 H VAL A 7 59.868 23.583 47.757 1.00 0.00 H +ATOM 66 N VAL A 8 59.955 27.471 48.181 1.00 12.69 N +ATOM 67 CA VAL A 8 58.910 28.481 48.065 1.00 13.00 C +ATOM 68 C VAL A 8 59.393 29.705 47.251 1.00 12.07 C +ATOM 69 O VAL A 8 60.583 30.051 47.319 1.00 12.73 O +ATOM 70 CB VAL A 8 58.428 28.863 49.497 1.00 15.54 C +ATOM 71 CG1 VAL A 8 59.546 29.507 50.310 1.00 14.98 C +ATOM 72 CG2 VAL A 8 57.197 29.751 49.417 1.00 20.70 C +ATOM 73 H VAL A 8 60.679 27.597 48.831 1.00 0.00 H +ATOM 74 N SER A 9 58.494 30.335 46.457 1.00 11.40 N +ATOM 75 CA SER A 9 58.897 31.486 45.604 1.00 11.12 C +ATOM 76 C SER A 9 59.469 32.645 46.434 1.00 10.07 C +ATOM 77 O SER A 9 60.426 33.284 46.022 1.00 13.05 O +ATOM 78 CB SER A 9 57.729 31.983 44.729 1.00 8.76 C +ATOM 79 OG SER A 9 56.640 32.434 45.521 1.00 11.10 O +ATOM 80 H SER A 9 57.565 30.024 46.435 1.00 0.00 H +ATOM 81 HG SER A 9 56.099 31.680 45.778 1.00 0.00 H +ATOM 82 N THR A 10 58.900 32.890 47.608 1.00 11.22 N +ATOM 83 CA THR A 10 59.394 33.930 48.492 1.00 13.49 C +ATOM 84 C THR A 10 58.793 33.757 49.885 1.00 15.11 C +ATOM 85 O THR A 10 57.710 33.176 50.032 1.00 16.74 O +ATOM 86 CB THR A 10 59.050 35.366 47.955 1.00 13.88 C +ATOM 87 OG1 THR A 10 59.659 36.352 48.794 1.00 12.94 O +ATOM 88 CG2 THR A 10 57.540 35.611 47.932 1.00 16.33 C +ATOM 89 H THR A 10 58.112 32.368 47.880 1.00 0.00 H +ATOM 90 HG1 THR A 10 60.249 36.897 48.259 1.00 0.00 H +ATOM 91 N LEU A 11 59.515 34.215 50.902 1.00 14.10 N +ATOM 92 CA LEU A 11 58.982 34.236 52.247 1.00 14.12 C +ATOM 93 C LEU A 11 58.563 35.659 52.646 1.00 14.45 C +ATOM 94 O LEU A 11 58.102 35.889 53.756 1.00 15.06 O +ATOM 95 CB LEU A 11 60.004 33.696 53.243 1.00 15.47 C +ATOM 96 CG LEU A 11 60.215 32.188 53.243 1.00 16.73 C +ATOM 97 CD1 LEU A 11 61.304 31.823 54.241 1.00 21.41 C +ATOM 98 CD2 LEU A 11 58.926 31.476 53.587 1.00 18.46 C +ATOM 99 H LEU A 11 60.427 34.536 50.741 1.00 0.00 H +ATOM 100 N ASN A 12 58.730 36.619 51.734 1.00 14.29 N +ATOM 101 CA ASN A 12 58.324 37.986 52.015 1.00 16.38 C +ATOM 102 C ASN A 12 56.913 38.211 51.498 1.00 17.42 C +ATOM 103 O ASN A 12 56.662 39.071 50.657 1.00 22.56 O +ATOM 104 CB ASN A 12 59.283 39.003 51.382 1.00 19.47 C +ATOM 105 CG ASN A 12 59.037 40.450 51.850 1.00 26.00 C +ATOM 106 OD1 ASN A 12 59.432 41.413 51.178 1.00 31.57 O +ATOM 107 ND2 ASN A 12 58.404 40.625 53.008 1.00 27.64 N +ATOM 108 H ASN A 12 59.113 36.397 50.862 1.00 0.00 H +ATOM 109 HD21 ASN A 12 58.201 41.543 53.293 1.00 0.00 H +ATOM 110 HD22 ASN A 12 58.158 39.836 53.533 1.00 0.00 H +ATOM 111 N ASN A 13 56.018 37.400 51.978 1.00 15.54 N +ATOM 112 CA ASN A 13 54.604 37.494 51.644 1.00 13.48 C +ATOM 113 C ASN A 13 53.924 36.591 52.639 1.00 13.71 C +ATOM 114 O ASN A 13 54.219 35.404 52.679 1.00 13.86 O +ATOM 115 CB ASN A 13 54.343 37.016 50.193 1.00 10.98 C +ATOM 116 CG ASN A 13 52.861 37.023 49.773 1.00 9.75 C +ATOM 117 OD1 ASN A 13 51.955 37.113 50.602 1.00 11.92 O +ATOM 118 ND2 ASN A 13 52.611 36.918 48.472 1.00 9.46 N +ATOM 119 H ASN A 13 56.305 36.698 52.602 1.00 0.00 H +ATOM 120 HD21 ASN A 13 51.682 36.947 48.171 1.00 0.00 H +ATOM 121 HD22 ASN A 13 53.375 36.822 47.861 1.00 0.00 H +ATOM 122 N PRO A 14 53.040 37.134 53.491 1.00 14.96 N +ATOM 123 CA PRO A 14 52.325 36.349 54.521 1.00 12.60 C +ATOM 124 C PRO A 14 51.643 35.082 53.960 1.00 12.64 C +ATOM 125 O PRO A 14 51.530 34.064 54.649 1.00 12.44 O +ATOM 126 CB PRO A 14 51.316 37.342 55.088 1.00 15.13 C +ATOM 127 CG PRO A 14 51.973 38.662 54.859 1.00 17.03 C +ATOM 128 CD PRO A 14 52.618 38.553 53.512 1.00 15.03 C +ATOM 129 N PHE A 15 51.205 35.135 52.717 1.00 10.92 N +ATOM 130 CA PHE A 15 50.569 33.973 52.118 1.00 13.03 C +ATOM 131 C PHE A 15 51.519 32.760 52.118 1.00 12.56 C +ATOM 132 O PHE A 15 51.142 31.657 52.516 1.00 13.03 O +ATOM 133 CB PHE A 15 50.121 34.295 50.695 1.00 11.49 C +ATOM 134 CG PHE A 15 49.537 33.112 49.972 1.00 12.60 C +ATOM 135 CD1 PHE A 15 48.178 32.815 50.081 1.00 13.32 C +ATOM 136 CD2 PHE A 15 50.340 32.313 49.155 1.00 12.03 C +ATOM 137 CE1 PHE A 15 47.633 31.749 49.381 1.00 15.41 C +ATOM 138 CE2 PHE A 15 49.801 31.243 48.454 1.00 13.41 C +ATOM 139 CZ PHE A 15 48.443 30.960 48.564 1.00 13.96 C +ATOM 140 H PHE A 15 51.304 35.964 52.196 1.00 0.00 H +ATOM 141 N PHE A 16 52.756 32.967 51.681 1.00 11.95 N +ATOM 142 CA PHE A 16 53.715 31.871 51.626 1.00 12.34 C +ATOM 143 C PHE A 16 54.243 31.472 52.999 1.00 12.72 C +ATOM 144 O PHE A 16 54.646 30.336 53.194 1.00 14.03 O +ATOM 145 CB PHE A 16 54.836 32.199 50.647 1.00 10.16 C +ATOM 146 CG PHE A 16 54.332 32.208 49.241 1.00 9.79 C +ATOM 147 CD1 PHE A 16 53.838 31.033 48.658 1.00 10.77 C +ATOM 148 CD2 PHE A 16 54.297 33.394 48.495 1.00 9.07 C +ATOM 149 CE1 PHE A 16 53.319 31.050 47.364 1.00 11.10 C +ATOM 150 CE2 PHE A 16 53.778 33.410 47.195 1.00 7.86 C +ATOM 151 CZ PHE A 16 53.286 32.239 46.630 1.00 10.91 C +ATOM 152 H PHE A 16 53.027 33.863 51.398 1.00 0.00 H +ATOM 153 N VAL A 17 54.226 32.392 53.962 1.00 13.22 N +ATOM 154 CA VAL A 17 54.566 32.034 55.334 1.00 13.34 C +ATOM 155 C VAL A 17 53.522 31.032 55.873 1.00 14.18 C +ATOM 156 O VAL A 17 53.850 30.013 56.492 1.00 12.92 O +ATOM 157 CB VAL A 17 54.592 33.284 56.231 1.00 14.30 C +ATOM 158 CG1 VAL A 17 54.845 32.891 57.681 1.00 13.70 C +ATOM 159 CG2 VAL A 17 55.666 34.240 55.742 1.00 15.61 C +ATOM 160 H VAL A 17 53.993 33.320 53.743 1.00 0.00 H +ATOM 161 N SER A 18 52.251 31.319 55.608 1.00 14.70 N +ATOM 162 CA SER A 18 51.169 30.428 56.017 1.00 13.88 C +ATOM 163 C SER A 18 51.263 29.061 55.320 1.00 13.69 C +ATOM 164 O SER A 18 50.995 28.033 55.934 1.00 13.20 O +ATOM 165 CB SER A 18 49.818 31.070 55.698 1.00 16.41 C +ATOM 166 OG SER A 18 49.644 32.268 56.435 1.00 22.65 O +ATOM 167 H SER A 18 52.035 32.147 55.127 1.00 0.00 H +ATOM 168 HG SER A 18 50.407 32.847 56.301 1.00 0.00 H +ATOM 169 N LEU A 19 51.613 29.072 54.026 1.00 12.67 N +ATOM 170 CA LEU A 19 51.747 27.836 53.256 1.00 12.83 C +ATOM 171 C LEU A 19 52.850 26.991 53.870 1.00 14.01 C +ATOM 172 O LEU A 19 52.676 25.773 54.060 1.00 16.02 O +ATOM 173 CB LEU A 19 52.047 28.166 51.773 1.00 11.90 C +ATOM 174 CG LEU A 19 52.027 27.006 50.755 1.00 14.20 C +ATOM 175 CD1 LEU A 19 51.775 27.532 49.354 1.00 16.55 C +ATOM 176 CD2 LEU A 19 53.325 26.241 50.789 1.00 16.50 C +ATOM 177 H LEU A 19 51.774 29.934 53.582 1.00 0.00 H +ATOM 178 N LYS A 20 53.972 27.645 54.201 1.00 13.89 N +ATOM 179 CA LYS A 20 55.097 26.967 54.860 1.00 16.00 C +ATOM 180 C LYS A 20 54.690 26.403 56.213 1.00 15.32 C +ATOM 181 O LYS A 20 55.027 25.270 56.526 1.00 16.52 O +ATOM 182 CB LYS A 20 56.290 27.917 55.046 1.00 16.64 C +ATOM 183 CG LYS A 20 57.401 27.332 55.907 1.00 21.15 C +ATOM 184 CD LYS A 20 58.353 28.404 56.413 1.00 26.30 C +ATOM 185 CE LYS A 20 57.710 29.299 57.466 1.00 27.77 C +ATOM 186 NZ LYS A 20 57.575 28.623 58.788 1.00 29.46 N +ATOM 187 H LYS A 20 54.048 28.598 53.989 1.00 0.00 H +ATOM 188 HZ1 LYS A 20 56.993 27.768 58.681 1.00 0.00 H +ATOM 189 HZ2 LYS A 20 58.517 28.359 59.139 1.00 0.00 H +ATOM 190 HZ3 LYS A 20 57.120 29.270 59.465 1.00 0.00 H +ATOM 191 N ASP A 21 53.981 27.180 57.018 1.00 15.80 N +ATOM 192 CA ASP A 21 53.537 26.688 58.331 1.00 17.91 C +ATOM 193 C ASP A 21 52.616 25.466 58.206 1.00 17.95 C +ATOM 194 O ASP A 21 52.715 24.507 58.991 1.00 16.69 O +ATOM 195 CB ASP A 21 52.819 27.798 59.110 1.00 19.69 C +ATOM 196 CG ASP A 21 53.761 28.879 59.593 1.00 23.47 C +ATOM 197 OD1 ASP A 21 54.982 28.637 59.646 1.00 24.86 O +ATOM 198 OD2 ASP A 21 53.280 29.977 59.926 1.00 29.28 O +ATOM 199 H ASP A 21 53.753 28.090 56.741 1.00 0.00 H +ATOM 200 N GLY A 22 51.723 25.508 57.222 1.00 16.88 N +ATOM 201 CA GLY A 22 50.829 24.401 56.990 1.00 17.10 C +ATOM 202 C GLY A 22 51.599 23.145 56.687 1.00 18.75 C +ATOM 203 O GLY A 22 51.325 22.088 57.265 1.00 19.10 O +ATOM 204 H GLY A 22 51.665 26.302 56.653 1.00 0.00 H +ATOM 205 N ALA A 23 52.593 23.261 55.790 1.00 17.83 N +ATOM 206 CA ALA A 23 53.437 22.121 55.428 1.00 17.02 C +ATOM 207 C ALA A 23 54.244 21.609 56.632 1.00 18.05 C +ATOM 208 O ALA A 23 54.372 20.397 56.830 1.00 18.40 O +ATOM 209 CB ALA A 23 54.371 22.506 54.286 1.00 17.24 C +ATOM 210 H ALA A 23 52.754 24.130 55.363 1.00 0.00 H +ATOM 211 N GLN A 24 54.756 22.536 57.438 1.00 17.86 N +ATOM 212 CA GLN A 24 55.550 22.194 58.609 1.00 19.64 C +ATOM 213 C GLN A 24 54.725 21.435 59.634 1.00 21.29 C +ATOM 214 O GLN A 24 55.195 20.459 60.235 1.00 21.57 O +ATOM 215 CB GLN A 24 56.114 23.460 59.253 1.00 21.58 C +ATOM 216 CG GLN A 24 57.104 23.204 60.391 1.00 25.84 C +ATOM 217 CD GLN A 24 58.402 22.552 59.924 1.00 26.24 C +ATOM 218 OE1 GLN A 24 59.180 23.143 59.163 1.00 28.01 O +ATOM 219 NE2 GLN A 24 58.637 21.326 60.379 1.00 29.37 N +ATOM 220 H GLN A 24 54.597 23.480 57.233 1.00 0.00 H +ATOM 221 HE21 GLN A 24 59.452 20.868 60.082 1.00 0.00 H +ATOM 222 HE22 GLN A 24 57.985 20.924 60.987 1.00 0.00 H +ATOM 223 N LYS A 25 53.507 21.875 59.836 1.00 20.68 N +ATOM 224 CA LYS A 25 52.641 21.235 60.804 1.00 22.95 C +ATOM 225 C LYS A 25 52.334 19.788 60.387 1.00 23.24 C +ATOM 226 O LYS A 25 52.307 18.865 61.223 1.00 25.30 O +ATOM 227 CB LYS A 25 51.348 22.037 60.930 1.00 24.26 C +ATOM 228 CG LYS A 25 50.435 21.585 62.049 1.00 32.07 C +ATOM 229 CD LYS A 25 49.059 22.219 61.927 1.00 36.94 C +ATOM 230 CE LYS A 25 48.108 21.703 63.006 1.00 42.78 C +ATOM 231 NZ LYS A 25 46.707 22.224 62.835 1.00 47.90 N +ATOM 232 H LYS A 25 53.178 22.649 59.324 1.00 0.00 H +ATOM 233 HZ1 LYS A 25 46.337 21.933 61.907 1.00 0.00 H +ATOM 234 HZ2 LYS A 25 46.097 21.837 63.586 1.00 0.00 H +ATOM 235 HZ3 LYS A 25 46.710 23.262 62.895 1.00 0.00 H +ATOM 236 N GLU A 26 52.132 19.586 59.098 1.00 22.58 N +ATOM 237 CA GLU A 26 51.793 18.269 58.587 1.00 22.89 C +ATOM 238 C GLU A 26 53.012 17.350 58.599 1.00 24.70 C +ATOM 239 O GLU A 26 52.906 16.173 58.963 1.00 23.80 O +ATOM 240 CB GLU A 26 51.221 18.393 57.180 1.00 22.32 C +ATOM 241 CG GLU A 26 50.415 17.188 56.726 1.00 26.18 C +ATOM 242 CD GLU A 26 49.090 17.020 57.459 1.00 28.83 C +ATOM 243 OE1 GLU A 26 48.747 17.850 58.337 1.00 31.58 O +ATOM 244 OE2 GLU A 26 48.382 16.055 57.151 1.00 33.23 O +ATOM 245 H GLU A 26 52.210 20.340 58.474 1.00 0.00 H +ATOM 246 N ALA A 27 54.165 17.892 58.209 1.00 22.95 N +ATOM 247 CA ALA A 27 55.397 17.131 58.244 1.00 24.24 C +ATOM 248 C ALA A 27 55.634 16.628 59.661 1.00 26.72 C +ATOM 249 O ALA A 27 55.959 15.465 59.868 1.00 26.80 O +ATOM 250 CB ALA A 27 56.567 17.995 57.786 1.00 20.74 C +ATOM 251 H ALA A 27 54.180 18.817 57.884 1.00 0.00 H +ATOM 252 N ASP A 28 55.445 17.509 60.633 1.00 29.59 N +ATOM 253 CA ASP A 28 55.619 17.143 62.040 1.00 32.88 C +ATOM 254 C ASP A 28 54.667 16.018 62.437 1.00 34.11 C +ATOM 255 O ASP A 28 55.051 15.083 63.144 1.00 35.83 O +ATOM 256 CB ASP A 28 55.375 18.354 62.954 1.00 32.05 C +ATOM 257 CG ASP A 28 56.512 19.354 62.974 1.00 32.42 C +ATOM 258 OD1 ASP A 28 57.502 19.173 62.241 1.00 34.27 O +ATOM 259 OD2 ASP A 28 56.413 20.330 63.734 1.00 35.68 O +ATOM 260 H ASP A 28 55.190 18.427 60.404 1.00 0.00 H +ATOM 261 N LYS A 29 53.433 16.116 61.977 1.00 33.84 N +ATOM 262 CA LYS A 29 52.423 15.121 62.290 1.00 33.10 C +ATOM 263 C LYS A 29 52.764 13.759 61.672 1.00 32.09 C +ATOM 264 O LYS A 29 52.628 12.731 62.334 1.00 32.60 O +ATOM 265 CB LYS A 29 51.076 15.649 61.794 1.00 34.48 C +ATOM 266 CG LYS A 29 49.952 14.648 61.649 1.00 36.43 C +ATOM 267 CD LYS A 29 48.735 15.353 61.062 1.00 41.31 C +ATOM 268 CE LYS A 29 47.846 14.395 60.283 1.00 44.20 C +ATOM 269 NZ LYS A 29 46.744 15.113 59.558 1.00 47.72 N +ATOM 270 H LYS A 29 53.195 16.875 61.403 1.00 0.00 H +ATOM 271 HZ1 LYS A 29 46.171 15.652 60.239 1.00 0.00 H +ATOM 272 HZ2 LYS A 29 47.153 15.765 58.857 1.00 0.00 H +ATOM 273 HZ3 LYS A 29 46.140 14.418 59.073 1.00 0.00 H +ATOM 274 N LEU A 30 53.253 13.766 60.420 1.00 30.52 N +ATOM 275 CA LEU A 30 53.545 12.525 59.706 1.00 28.01 C +ATOM 276 C LEU A 30 54.972 12.005 59.912 1.00 27.94 C +ATOM 277 O LEU A 30 55.344 10.986 59.322 1.00 28.78 O +ATOM 278 CB LEU A 30 53.260 12.697 58.213 1.00 28.19 C +ATOM 279 CG LEU A 30 51.827 13.073 57.835 1.00 26.69 C +ATOM 280 CD1 LEU A 30 51.690 13.138 56.325 1.00 28.75 C +ATOM 281 CD2 LEU A 30 50.853 12.063 58.405 1.00 29.34 C +ATOM 282 H LEU A 30 53.423 14.625 59.978 1.00 0.00 H +ATOM 283 N GLY A 31 55.771 12.692 60.728 1.00 27.37 N +ATOM 284 CA GLY A 31 57.124 12.224 61.021 1.00 27.73 C +ATOM 285 C GLY A 31 58.154 12.457 59.911 1.00 28.87 C +ATOM 286 O GLY A 31 59.082 11.655 59.726 1.00 29.23 O +ATOM 287 H GLY A 31 55.448 13.520 61.140 1.00 0.00 H +ATOM 288 N TYR A 32 58.010 13.536 59.163 1.00 27.78 N +ATOM 289 CA TYR A 32 58.983 13.838 58.131 1.00 26.21 C +ATOM 290 C TYR A 32 59.879 14.976 58.530 1.00 25.80 C +ATOM 291 O TYR A 32 59.559 15.784 59.420 1.00 25.11 O +ATOM 292 CB TYR A 32 58.301 14.198 56.805 1.00 26.74 C +ATOM 293 CG TYR A 32 57.743 13.012 56.081 1.00 26.39 C +ATOM 294 CD1 TYR A 32 58.593 12.118 55.427 1.00 28.08 C +ATOM 295 CD2 TYR A 32 56.377 12.751 56.088 1.00 26.03 C +ATOM 296 CE1 TYR A 32 58.092 10.991 54.791 1.00 29.20 C +ATOM 297 CE2 TYR A 32 55.861 11.629 55.455 1.00 27.88 C +ATOM 298 CZ TYR A 32 56.724 10.750 54.807 1.00 28.80 C +ATOM 299 OH TYR A 32 56.211 9.662 54.131 1.00 28.45 O +ATOM 300 H TYR A 32 57.245 14.131 59.304 1.00 0.00 H +ATOM 301 HH TYR A 32 55.260 9.672 54.189 1.00 0.00 H +ATOM 302 N ASN A 33 60.999 15.038 57.866 1.00 25.80 N +ATOM 303 CA ASN A 33 61.907 16.139 58.046 1.00 26.96 C +ATOM 304 C ASN A 33 61.641 17.137 56.928 1.00 24.74 C +ATOM 305 O ASN A 33 61.714 16.763 55.763 1.00 25.90 O +ATOM 306 CB ASN A 33 63.332 15.629 57.948 1.00 30.97 C +ATOM 307 CG ASN A 33 64.307 16.599 58.528 1.00 35.37 C +ATOM 308 OD1 ASN A 33 65.050 17.261 57.803 1.00 37.43 O +ATOM 309 ND2 ASN A 33 64.308 16.690 59.856 1.00 38.92 N +ATOM 310 H ASN A 33 61.223 14.329 57.228 1.00 0.00 H +ATOM 311 HD21 ASN A 33 64.936 17.312 60.276 1.00 0.00 H +ATOM 312 HD22 ASN A 33 63.681 16.134 60.361 1.00 0.00 H +ATOM 313 N LEU A 34 61.301 18.386 57.261 1.00 23.75 N +ATOM 314 CA LEU A 34 61.020 19.380 56.201 1.00 21.45 C +ATOM 315 C LEU A 34 62.137 20.401 56.038 1.00 20.42 C +ATOM 316 O LEU A 34 62.450 21.136 56.974 1.00 22.12 O +ATOM 317 CB LEU A 34 59.704 20.136 56.448 1.00 19.43 C +ATOM 318 CG LEU A 34 59.285 21.118 55.330 1.00 18.68 C +ATOM 319 CD1 LEU A 34 58.824 20.345 54.111 1.00 17.09 C +ATOM 320 CD2 LEU A 34 58.190 22.044 55.807 1.00 18.32 C +ATOM 321 H LEU A 34 61.254 18.645 58.205 1.00 0.00 H +ATOM 322 N VAL A 35 62.719 20.443 54.843 1.00 19.12 N +ATOM 323 CA VAL A 35 63.727 21.454 54.519 1.00 20.12 C +ATOM 324 C VAL A 35 63.076 22.586 53.684 1.00 18.52 C +ATOM 325 O VAL A 35 62.438 22.325 52.670 1.00 18.27 O +ATOM 326 CB VAL A 35 64.908 20.830 53.725 1.00 20.67 C +ATOM 327 CG1 VAL A 35 65.866 21.921 53.251 1.00 24.81 C +ATOM 328 CG2 VAL A 35 65.645 19.839 54.616 1.00 21.85 C +ATOM 329 H VAL A 35 62.465 19.780 54.160 1.00 0.00 H +ATOM 330 N VAL A 36 63.225 23.837 54.119 1.00 17.22 N +ATOM 331 CA VAL A 36 62.602 24.966 53.396 1.00 16.72 C +ATOM 332 C VAL A 36 63.651 25.849 52.728 1.00 14.69 C +ATOM 333 O VAL A 36 64.600 26.280 53.371 1.00 16.50 O +ATOM 334 CB VAL A 36 61.761 25.844 54.355 1.00 16.53 C +ATOM 335 CG1 VAL A 36 61.059 26.951 53.570 1.00 16.91 C +ATOM 336 CG2 VAL A 36 60.752 24.990 55.101 1.00 17.07 C +ATOM 337 H VAL A 36 63.756 24.012 54.928 1.00 0.00 H +ATOM 338 N LEU A 37 63.486 26.105 51.448 1.00 13.65 N +ATOM 339 CA LEU A 37 64.416 26.968 50.729 1.00 14.60 C +ATOM 340 C LEU A 37 63.661 28.093 50.036 1.00 15.03 C +ATOM 341 O LEU A 37 62.583 27.873 49.481 1.00 15.19 O +ATOM 342 CB LEU A 37 65.219 26.171 49.699 1.00 15.72 C +ATOM 343 CG LEU A 37 66.230 25.149 50.248 1.00 19.44 C +ATOM 344 CD1 LEU A 37 66.950 24.469 49.100 1.00 19.68 C +ATOM 345 CD2 LEU A 37 67.236 25.843 51.149 1.00 19.78 C +ATOM 346 H LEU A 37 62.726 25.713 50.972 1.00 0.00 H +ATOM 347 N ASP A 38 64.232 29.282 50.072 1.00 13.03 N +ATOM 348 CA ASP A 38 63.600 30.455 49.507 1.00 12.74 C +ATOM 349 C ASP A 38 64.225 30.830 48.172 1.00 10.45 C +ATOM 350 O ASP A 38 65.409 31.043 48.094 1.00 12.47 O +ATOM 351 CB ASP A 38 63.765 31.600 50.511 1.00 15.71 C +ATOM 352 CG ASP A 38 63.017 32.885 50.157 1.00 17.22 C +ATOM 353 OD1 ASP A 38 62.391 32.982 49.067 1.00 16.43 O +ATOM 354 OD2 ASP A 38 63.053 33.803 50.987 1.00 23.65 O +ATOM 355 H ASP A 38 65.114 29.374 50.500 1.00 0.00 H +ATOM 356 N SER A 39 63.428 30.926 47.132 1.00 10.78 N +ATOM 357 CA SER A 39 63.947 31.283 45.809 1.00 11.65 C +ATOM 358 C SER A 39 64.015 32.808 45.596 1.00 12.37 C +ATOM 359 O SER A 39 64.562 33.277 44.586 1.00 12.74 O +ATOM 360 CB SER A 39 63.077 30.661 44.716 1.00 12.23 C +ATOM 361 OG SER A 39 63.044 29.257 44.837 1.00 12.87 O +ATOM 362 H SER A 39 62.467 30.760 47.240 1.00 0.00 H +ATOM 363 HG SER A 39 62.720 29.024 45.712 1.00 0.00 H +ATOM 364 N GLN A 40 63.394 33.558 46.514 1.00 10.96 N +ATOM 365 CA GLN A 40 63.392 35.027 46.457 1.00 13.71 C +ATOM 366 C GLN A 40 62.959 35.590 45.079 1.00 14.00 C +ATOM 367 O GLN A 40 63.555 36.520 44.567 1.00 16.04 O +ATOM 368 CB GLN A 40 64.777 35.531 46.887 1.00 14.50 C +ATOM 369 CG GLN A 40 65.164 34.972 48.251 1.00 16.97 C +ATOM 370 CD GLN A 40 66.378 35.612 48.889 1.00 25.51 C +ATOM 371 OE1 GLN A 40 67.432 35.760 48.262 1.00 29.34 O +ATOM 372 NE2 GLN A 40 66.241 35.974 50.155 1.00 22.99 N +ATOM 373 H GLN A 40 62.912 33.109 47.234 1.00 0.00 H +ATOM 374 HE21 GLN A 40 67.011 36.381 50.606 1.00 0.00 H +ATOM 375 HE22 GLN A 40 65.380 35.816 50.584 1.00 0.00 H +ATOM 376 N ASN A 41 61.914 34.985 44.489 1.00 14.00 N +ATOM 377 CA ASN A 41 61.351 35.414 43.198 1.00 15.31 C +ATOM 378 C ASN A 41 62.337 35.345 42.048 1.00 15.50 C +ATOM 379 O ASN A 41 62.073 35.882 40.973 1.00 16.21 O +ATOM 380 CB ASN A 41 60.767 36.838 43.293 1.00 14.94 C +ATOM 381 CG ASN A 41 59.499 36.861 44.112 1.00 17.81 C +ATOM 382 OD1 ASN A 41 58.658 35.985 43.982 1.00 15.70 O +ATOM 383 ND2 ASN A 41 59.360 37.864 44.975 1.00 20.25 N +ATOM 384 H ASN A 41 61.516 34.212 44.933 1.00 0.00 H +ATOM 385 HD21 ASN A 41 58.544 37.904 45.512 1.00 0.00 H +ATOM 386 HD22 ASN A 41 60.080 38.532 45.033 1.00 0.00 H +ATOM 387 N ASN A 42 63.440 34.640 42.250 1.00 15.37 N +ATOM 388 CA ASN A 42 64.499 34.567 41.241 1.00 14.40 C +ATOM 389 C ASN A 42 64.636 33.133 40.655 1.00 13.84 C +ATOM 390 O ASN A 42 65.037 32.198 41.370 1.00 12.94 O +ATOM 391 CB ASN A 42 65.800 35.015 41.917 1.00 13.23 C +ATOM 392 CG ASN A 42 67.001 35.064 40.991 1.00 18.05 C +ATOM 393 OD1 ASN A 42 66.945 34.635 39.849 1.00 19.33 O +ATOM 394 ND2 ASN A 42 68.101 35.589 41.493 1.00 20.76 N +ATOM 395 H ASN A 42 63.552 34.157 43.093 1.00 0.00 H +ATOM 396 HD21 ASN A 42 68.895 35.662 40.919 1.00 0.00 H +ATOM 397 HD22 ASN A 42 68.083 35.891 42.424 1.00 0.00 H +ATOM 398 N PRO A 43 64.283 32.922 39.354 1.00 13.41 N +ATOM 399 CA PRO A 43 64.392 31.601 38.697 1.00 13.84 C +ATOM 400 C PRO A 43 65.814 31.013 38.798 1.00 15.08 C +ATOM 401 O PRO A 43 65.990 29.801 38.870 1.00 15.21 O +ATOM 402 CB PRO A 43 64.019 31.869 37.239 1.00 12.67 C +ATOM 403 CG PRO A 43 63.136 33.065 37.327 1.00 15.32 C +ATOM 404 CD PRO A 43 63.721 33.919 38.427 1.00 13.70 C +ATOM 405 N ALA A 44 66.836 31.874 38.774 1.00 15.07 N +ATOM 406 CA ALA A 44 68.207 31.387 38.884 1.00 15.31 C +ATOM 407 C ALA A 44 68.452 30.821 40.259 1.00 14.66 C +ATOM 408 O ALA A 44 69.122 29.806 40.401 1.00 17.94 O +ATOM 409 CB ALA A 44 69.200 32.505 38.612 1.00 15.93 C +ATOM 410 H ALA A 44 66.665 32.838 38.673 1.00 0.00 H +ATOM 411 N LYS A 45 67.909 31.483 41.269 1.00 14.71 N +ATOM 412 CA LYS A 45 68.060 31.038 42.643 1.00 15.89 C +ATOM 413 C LYS A 45 67.275 29.736 42.868 1.00 14.16 C +ATOM 414 O LYS A 45 67.709 28.840 43.586 1.00 13.66 O +ATOM 415 CB LYS A 45 67.559 32.139 43.588 1.00 17.55 C +ATOM 416 CG LYS A 45 67.665 31.801 45.057 1.00 26.31 C +ATOM 417 CD LYS A 45 69.033 32.153 45.622 1.00 33.22 C +ATOM 418 CE LYS A 45 69.003 33.480 46.385 1.00 37.44 C +ATOM 419 NZ LYS A 45 68.608 34.632 45.517 1.00 41.29 N +ATOM 420 H LYS A 45 67.392 32.299 41.083 1.00 0.00 H +ATOM 421 HZ1 LYS A 45 67.666 34.457 45.121 1.00 0.00 H +ATOM 422 HZ2 LYS A 45 68.589 35.507 46.086 1.00 0.00 H +ATOM 423 HZ3 LYS A 45 69.294 34.734 44.743 1.00 0.00 H +ATOM 424 N GLU A 46 66.114 29.653 42.248 1.00 14.17 N +ATOM 425 CA GLU A 46 65.282 28.469 42.338 1.00 13.04 C +ATOM 426 C GLU A 46 66.024 27.245 41.789 1.00 12.60 C +ATOM 427 O GLU A 46 66.043 26.176 42.420 1.00 12.89 O +ATOM 428 CB GLU A 46 64.003 28.732 41.543 1.00 13.10 C +ATOM 429 CG GLU A 46 63.042 27.562 41.393 1.00 11.49 C +ATOM 430 CD GLU A 46 61.770 28.002 40.704 1.00 12.74 C +ATOM 431 OE1 GLU A 46 61.816 28.320 39.499 1.00 13.39 O +ATOM 432 OE2 GLU A 46 60.731 28.050 41.373 1.00 13.26 O +ATOM 433 H GLU A 46 65.798 30.413 41.721 1.00 0.00 H +ATOM 434 N LEU A 47 66.644 27.410 40.626 1.00 12.81 N +ATOM 435 CA LEU A 47 67.384 26.326 40.000 1.00 14.44 C +ATOM 436 C LEU A 47 68.523 25.853 40.913 1.00 15.48 C +ATOM 437 O LEU A 47 68.687 24.652 41.149 1.00 16.43 O +ATOM 438 CB LEU A 47 67.915 26.788 38.641 1.00 15.46 C +ATOM 439 CG LEU A 47 68.662 25.752 37.785 1.00 17.68 C +ATOM 440 CD1 LEU A 47 67.801 24.523 37.546 1.00 17.78 C +ATOM 441 CD2 LEU A 47 69.063 26.376 36.458 1.00 17.41 C +ATOM 442 H LEU A 47 66.593 28.280 40.176 1.00 0.00 H +ATOM 443 N ALA A 48 69.269 26.788 41.467 1.00 13.63 N +ATOM 444 CA ALA A 48 70.359 26.425 42.335 1.00 15.40 C +ATOM 445 C ALA A 48 69.847 25.664 43.549 1.00 15.74 C +ATOM 446 O ALA A 48 70.503 24.729 44.041 1.00 14.50 O +ATOM 447 CB ALA A 48 71.104 27.678 42.774 1.00 15.89 C +ATOM 448 H ALA A 48 69.083 27.731 41.288 1.00 0.00 H +ATOM 449 N ASN A 49 68.674 26.078 44.043 1.00 16.00 N +ATOM 450 CA ASN A 49 68.053 25.431 45.208 1.00 15.74 C +ATOM 451 C ASN A 49 67.750 23.966 44.906 1.00 14.83 C +ATOM 452 O ASN A 49 68.052 23.087 45.702 1.00 13.97 O +ATOM 453 CB ASN A 49 66.740 26.137 45.612 1.00 15.94 C +ATOM 454 CG ASN A 49 66.954 27.403 46.424 1.00 17.18 C +ATOM 455 OD1 ASN A 49 68.075 27.696 46.870 1.00 16.65 O +ATOM 456 ND2 ASN A 49 65.856 28.143 46.646 1.00 17.44 N +ATOM 457 H ASN A 49 68.228 26.844 43.627 1.00 0.00 H +ATOM 458 HD21 ASN A 49 65.941 28.972 47.171 1.00 0.00 H +ATOM 459 HD22 ASN A 49 65.000 27.817 46.293 1.00 0.00 H +ATOM 460 N VAL A 50 67.134 23.728 43.754 1.00 14.73 N +ATOM 461 CA VAL A 50 66.788 22.373 43.341 1.00 15.25 C +ATOM 462 C VAL A 50 68.058 21.533 43.080 1.00 16.62 C +ATOM 463 O VAL A 50 68.139 20.384 43.522 1.00 16.57 O +ATOM 464 CB VAL A 50 65.855 22.385 42.093 1.00 14.46 C +ATOM 465 CG1 VAL A 50 65.665 20.972 41.538 1.00 16.05 C +ATOM 466 CG2 VAL A 50 64.490 22.961 42.495 1.00 15.02 C +ATOM 467 H VAL A 50 66.911 24.480 43.163 1.00 0.00 H +ATOM 468 N GLN A 51 69.042 22.095 42.371 1.00 15.96 N +ATOM 469 CA GLN A 51 70.310 21.379 42.158 1.00 18.99 C +ATOM 470 C GLN A 51 70.908 20.923 43.479 1.00 19.01 C +ATOM 471 O GLN A 51 71.317 19.787 43.615 1.00 22.55 O +ATOM 472 CB GLN A 51 71.313 22.258 41.433 1.00 21.14 C +ATOM 473 CG GLN A 51 71.017 22.413 39.956 1.00 26.79 C +ATOM 474 CD GLN A 51 71.845 23.505 39.312 1.00 30.44 C +ATOM 475 OE1 GLN A 51 72.145 24.529 39.945 1.00 35.13 O +ATOM 476 NE2 GLN A 51 72.221 23.301 38.054 1.00 34.70 N +ATOM 477 H GLN A 51 68.917 22.988 41.988 1.00 0.00 H +ATOM 478 HE21 GLN A 51 72.741 24.002 37.608 1.00 0.00 H +ATOM 479 HE22 GLN A 51 71.964 22.464 37.622 1.00 0.00 H +ATOM 480 N ASP A 52 70.923 21.805 44.450 1.00 19.47 N +ATOM 481 CA ASP A 52 71.411 21.485 45.775 1.00 22.77 C +ATOM 482 C ASP A 52 70.682 20.310 46.440 1.00 23.02 C +ATOM 483 O ASP A 52 71.303 19.399 46.979 1.00 22.68 O +ATOM 484 CB ASP A 52 71.240 22.698 46.661 1.00 29.97 C +ATOM 485 CG ASP A 52 72.550 23.353 46.947 1.00 40.23 C +ATOM 486 OD1 ASP A 52 72.992 24.193 46.109 1.00 41.23 O +ATOM 487 OD2 ASP A 52 73.151 23.017 48.009 1.00 44.35 O +ATOM 488 H ASP A 52 70.601 22.716 44.272 1.00 0.00 H +ATOM 489 N LEU A 53 69.364 20.356 46.424 1.00 21.22 N +ATOM 490 CA LEU A 53 68.556 19.353 47.100 1.00 21.23 C +ATOM 491 C LEU A 53 68.682 17.963 46.483 1.00 19.67 C +ATOM 492 O LEU A 53 68.562 16.961 47.193 1.00 17.64 O +ATOM 493 CB LEU A 53 67.094 19.810 47.084 1.00 21.44 C +ATOM 494 CG LEU A 53 66.782 21.008 47.986 1.00 23.14 C +ATOM 495 CD1 LEU A 53 65.450 21.640 47.599 1.00 23.85 C +ATOM 496 CD2 LEU A 53 66.784 20.557 49.446 1.00 22.37 C +ATOM 497 H LEU A 53 68.915 21.079 45.938 1.00 0.00 H +ATOM 498 N THR A 54 68.942 17.903 45.171 1.00 19.52 N +ATOM 499 CA THR A 54 69.006 16.608 44.481 1.00 21.37 C +ATOM 500 C THR A 54 70.101 15.691 45.022 1.00 23.49 C +ATOM 501 O THR A 54 70.038 14.473 44.843 1.00 23.43 O +ATOM 502 CB THR A 54 69.156 16.737 42.934 1.00 20.93 C +ATOM 503 OG1 THR A 54 70.359 17.436 42.600 1.00 23.23 O +ATOM 504 CG2 THR A 54 67.954 17.453 42.324 1.00 18.16 C +ATOM 505 H THR A 54 69.086 18.730 44.665 1.00 0.00 H +ATOM 506 HG1 THR A 54 70.303 18.345 42.908 1.00 0.00 H +ATOM 507 N VAL A 55 71.088 16.258 45.703 1.00 23.34 N +ATOM 508 CA VAL A 55 72.162 15.445 46.252 1.00 25.08 C +ATOM 509 C VAL A 55 72.157 15.452 47.779 1.00 26.12 C +ATOM 510 O VAL A 55 73.116 15.011 48.396 1.00 26.92 O +ATOM 511 CB VAL A 55 73.560 15.902 45.740 1.00 25.42 C +ATOM 512 CG1 VAL A 55 73.595 15.903 44.217 1.00 25.24 C +ATOM 513 CG2 VAL A 55 73.919 17.279 46.293 1.00 25.57 C +ATOM 514 H VAL A 55 71.090 17.228 45.844 1.00 0.00 H +ATOM 515 N ARG A 56 71.077 15.940 48.390 1.00 26.67 N +ATOM 516 CA ARG A 56 70.998 15.991 49.850 1.00 28.07 C +ATOM 517 C ARG A 56 70.178 14.847 50.426 1.00 26.75 C +ATOM 518 O ARG A 56 69.894 14.858 51.621 1.00 27.87 O +ATOM 519 CB ARG A 56 70.327 17.270 50.348 1.00 32.73 C +ATOM 520 CG ARG A 56 71.059 18.581 50.197 1.00 36.24 C +ATOM 521 CD ARG A 56 70.347 19.615 51.056 1.00 41.50 C +ATOM 522 NE ARG A 56 70.509 20.979 50.571 1.00 48.65 N +ATOM 523 CZ ARG A 56 70.044 22.046 51.235 1.00 50.14 C +ATOM 524 NH1 ARG A 56 69.420 21.894 52.414 1.00 49.87 N +ATOM 525 NH2 ARG A 56 70.211 23.270 50.738 1.00 52.37 N +ATOM 526 H ARG A 56 70.324 16.266 47.856 1.00 0.00 H +ATOM 527 HE ARG A 56 70.977 21.124 49.720 1.00 0.00 H +ATOM 528 HH11 ARG A 56 69.310 20.982 52.809 1.00 0.00 H +ATOM 529 HH12 ARG A 56 69.066 22.694 52.897 1.00 0.00 H +ATOM 530 HH21 ARG A 56 70.674 23.395 49.860 1.00 0.00 H +ATOM 531 HH22 ARG A 56 69.841 24.061 51.224 1.00 0.00 H +ATOM 532 N GLY A 57 69.751 13.896 49.608 1.00 24.82 N +ATOM 533 CA GLY A 57 68.946 12.816 50.141 1.00 23.72 C +ATOM 534 C GLY A 57 67.476 13.205 50.277 1.00 24.39 C +ATOM 535 O GLY A 57 66.739 12.655 51.104 1.00 24.54 O +ATOM 536 H GLY A 57 69.976 13.921 48.656 1.00 0.00 H +ATOM 537 N THR A 58 67.058 14.172 49.472 1.00 23.30 N +ATOM 538 CA THR A 58 65.673 14.608 49.440 1.00 19.91 C +ATOM 539 C THR A 58 64.812 13.516 48.815 1.00 17.60 C +ATOM 540 O THR A 58 65.150 12.996 47.762 1.00 18.52 O +ATOM 541 CB THR A 58 65.578 15.891 48.596 1.00 19.94 C +ATOM 542 OG1 THR A 58 66.386 16.910 49.212 1.00 21.07 O +ATOM 543 CG2 THR A 58 64.141 16.356 48.471 1.00 20.50 C +ATOM 544 H THR A 58 67.701 14.608 48.878 1.00 0.00 H +ATOM 545 HG1 THR A 58 66.063 17.090 50.104 1.00 0.00 H +ATOM 546 N LYS A 59 63.729 13.172 49.474 1.00 17.89 N +ATOM 547 CA LYS A 59 62.832 12.123 48.988 1.00 20.25 C +ATOM 548 C LYS A 59 61.756 12.651 48.025 1.00 19.73 C +ATOM 549 O LYS A 59 61.424 11.994 47.025 1.00 19.50 O +ATOM 550 CB LYS A 59 62.153 11.420 50.175 1.00 22.47 C +ATOM 551 CG LYS A 59 63.078 10.544 51.009 1.00 27.17 C +ATOM 552 CD LYS A 59 63.529 9.342 50.207 1.00 29.68 C +ATOM 553 CE LYS A 59 64.394 8.406 51.026 1.00 32.78 C +ATOM 554 NZ LYS A 59 65.759 8.961 51.235 1.00 36.87 N +ATOM 555 H LYS A 59 63.517 13.629 50.314 1.00 0.00 H +ATOM 556 HZ1 LYS A 59 65.690 9.879 51.716 1.00 0.00 H +ATOM 557 HZ2 LYS A 59 66.318 8.305 51.819 1.00 0.00 H +ATOM 558 HZ3 LYS A 59 66.226 9.088 50.313 1.00 0.00 H +ATOM 559 N ILE A 60 61.188 13.820 48.345 1.00 19.22 N +ATOM 560 CA ILE A 60 60.132 14.432 47.499 1.00 18.62 C +ATOM 561 C ILE A 60 60.367 15.948 47.426 1.00 14.18 C +ATOM 562 O ILE A 60 60.800 16.546 48.403 1.00 13.25 O +ATOM 563 CB ILE A 60 58.677 14.221 48.079 1.00 21.18 C +ATOM 564 CG1 ILE A 60 58.328 12.746 48.256 1.00 23.08 C +ATOM 565 CG2 ILE A 60 57.645 14.863 47.140 1.00 24.20 C +ATOM 566 CD1 ILE A 60 57.741 12.112 47.016 1.00 24.11 C +ATOM 567 H ILE A 60 61.486 14.289 49.149 1.00 0.00 H +ATOM 568 N LEU A 61 60.081 16.542 46.280 1.00 13.69 N +ATOM 569 CA LEU A 61 60.194 17.988 46.127 1.00 13.22 C +ATOM 570 C LEU A 61 58.815 18.628 46.001 1.00 11.48 C +ATOM 571 O LEU A 61 58.066 18.336 45.073 1.00 11.54 O +ATOM 572 CB LEU A 61 61.032 18.367 44.887 1.00 12.51 C +ATOM 573 CG LEU A 61 61.067 19.879 44.509 1.00 16.30 C +ATOM 574 CD1 LEU A 61 61.756 20.683 45.604 1.00 17.18 C +ATOM 575 CD2 LEU A 61 61.768 20.093 43.170 1.00 14.93 C +ATOM 576 H LEU A 61 59.772 16.002 45.524 1.00 0.00 H +ATOM 577 N LEU A 62 58.489 19.456 46.977 1.00 12.36 N +ATOM 578 CA LEU A 62 57.310 20.323 46.915 1.00 11.97 C +ATOM 579 C LEU A 62 57.798 21.678 46.390 1.00 12.72 C +ATOM 580 O LEU A 62 58.621 22.318 47.045 1.00 12.19 O +ATOM 581 CB LEU A 62 56.721 20.538 48.315 1.00 13.20 C +ATOM 582 CG LEU A 62 56.270 19.303 49.092 1.00 14.50 C +ATOM 583 CD1 LEU A 62 55.565 19.734 50.377 1.00 13.94 C +ATOM 584 CD2 LEU A 62 55.352 18.462 48.229 1.00 15.14 C +ATOM 585 H LEU A 62 59.058 19.492 47.769 1.00 0.00 H +ATOM 586 N ILE A 63 57.348 22.108 45.228 1.00 12.00 N +ATOM 587 CA ILE A 63 57.836 23.377 44.698 1.00 11.66 C +ATOM 588 C ILE A 63 56.707 24.344 44.337 1.00 12.84 C +ATOM 589 O ILE A 63 55.677 23.974 43.753 1.00 11.99 O +ATOM 590 CB ILE A 63 58.769 23.143 43.461 1.00 11.59 C +ATOM 591 CG1 ILE A 63 59.370 24.457 42.961 1.00 12.98 C +ATOM 592 CG2 ILE A 63 58.009 22.472 42.339 1.00 13.87 C +ATOM 593 CD1 ILE A 63 60.659 24.286 42.159 1.00 13.53 C +ATOM 594 H ILE A 63 56.683 21.588 44.731 1.00 0.00 H +ATOM 595 N ASN A 64 56.912 25.592 44.729 1.00 11.71 N +ATOM 596 CA ASN A 64 56.029 26.681 44.345 1.00 11.38 C +ATOM 597 C ASN A 64 56.846 27.521 43.332 1.00 10.26 C +ATOM 598 O ASN A 64 57.686 28.327 43.737 1.00 11.83 O +ATOM 599 CB ASN A 64 55.666 27.475 45.617 1.00 8.88 C +ATOM 600 CG ASN A 64 55.067 28.826 45.326 1.00 12.92 C +ATOM 601 OD1 ASN A 64 55.614 29.843 45.746 1.00 13.53 O +ATOM 602 ND2 ASN A 64 53.939 28.853 44.617 1.00 11.28 N +ATOM 603 H ASN A 64 57.690 25.789 45.291 1.00 0.00 H +ATOM 604 HD21 ASN A 64 53.547 29.723 44.403 1.00 0.00 H +ATOM 605 HD22 ASN A 64 53.547 27.998 44.337 1.00 0.00 H +ATOM 606 N PRO A 65 56.650 27.296 42.003 1.00 10.43 N +ATOM 607 CA PRO A 65 57.408 27.993 40.934 1.00 11.26 C +ATOM 608 C PRO A 65 57.484 29.530 41.041 1.00 11.12 C +ATOM 609 O PRO A 65 56.500 30.191 41.374 1.00 13.06 O +ATOM 610 CB PRO A 65 56.719 27.560 39.640 1.00 11.16 C +ATOM 611 CG PRO A 65 56.110 26.239 39.992 1.00 11.13 C +ATOM 612 CD PRO A 65 55.641 26.381 41.419 1.00 9.35 C +ATOM 613 N THR A 66 58.672 30.084 40.758 1.00 10.39 N +ATOM 614 CA THR A 66 58.824 31.535 40.703 1.00 11.45 C +ATOM 615 C THR A 66 58.229 32.043 39.392 1.00 12.26 C +ATOM 616 O THR A 66 57.746 33.174 39.296 1.00 13.29 O +ATOM 617 CB THR A 66 60.310 31.968 40.777 1.00 12.45 C +ATOM 618 OG1 THR A 66 61.055 31.350 39.722 1.00 14.71 O +ATOM 619 CG2 THR A 66 60.916 31.563 42.100 1.00 11.67 C +ATOM 620 H THR A 66 59.443 29.510 40.587 1.00 0.00 H +ATOM 621 HG1 THR A 66 61.263 30.447 39.966 1.00 0.00 H +ATOM 622 N ASP A 67 58.246 31.153 38.405 1.00 12.16 N +ATOM 623 CA ASP A 67 57.779 31.430 37.055 1.00 13.56 C +ATOM 624 C ASP A 67 57.353 30.081 36.486 1.00 15.40 C +ATOM 625 O ASP A 67 58.175 29.151 36.502 1.00 14.70 O +ATOM 626 CB ASP A 67 58.937 32.008 36.211 1.00 14.93 C +ATOM 627 CG ASP A 67 58.529 32.433 34.810 1.00 16.42 C +ATOM 628 OD1 ASP A 67 58.049 31.604 34.039 1.00 18.23 O +ATOM 629 OD2 ASP A 67 58.697 33.609 34.474 1.00 21.66 O +ATOM 630 H ASP A 67 58.591 30.258 38.596 1.00 0.00 H +ATOM 631 N SER A 68 56.097 29.977 35.986 1.00 14.19 N +ATOM 632 CA SER A 68 55.555 28.689 35.512 1.00 13.85 C +ATOM 633 C SER A 68 56.271 28.116 34.279 1.00 15.11 C +ATOM 634 O SER A 68 56.328 26.907 34.099 1.00 16.00 O +ATOM 635 CB SER A 68 54.038 28.811 35.265 1.00 11.59 C +ATOM 636 OG SER A 68 53.354 28.993 36.507 1.00 11.86 O +ATOM 637 H SER A 68 55.534 30.776 35.940 1.00 0.00 H +ATOM 638 HG SER A 68 53.620 28.290 37.115 1.00 0.00 H +ATOM 639 N ASP A 69 56.818 28.970 33.440 1.00 17.53 N +ATOM 640 CA ASP A 69 57.530 28.506 32.249 1.00 20.17 C +ATOM 641 C ASP A 69 59.024 28.287 32.501 1.00 20.96 C +ATOM 642 O ASP A 69 59.601 27.306 32.039 1.00 23.27 O +ATOM 643 CB ASP A 69 57.330 29.495 31.111 1.00 23.91 C +ATOM 644 CG ASP A 69 55.882 29.544 30.688 1.00 28.99 C +ATOM 645 OD1 ASP A 69 55.459 28.631 29.957 1.00 32.05 O +ATOM 646 OD2 ASP A 69 55.162 30.485 31.103 1.00 33.58 O +ATOM 647 H ASP A 69 56.743 29.927 33.613 1.00 0.00 H +ATOM 648 N ALA A 70 59.652 29.179 33.257 1.00 18.66 N +ATOM 649 CA ALA A 70 61.072 29.068 33.512 1.00 17.47 C +ATOM 650 C ALA A 70 61.416 27.885 34.423 1.00 18.14 C +ATOM 651 O ALA A 70 62.519 27.339 34.343 1.00 19.14 O +ATOM 652 CB ALA A 70 61.576 30.359 34.127 1.00 18.33 C +ATOM 653 H ALA A 70 59.150 29.920 33.645 1.00 0.00 H +ATOM 654 N VAL A 71 60.481 27.492 35.294 1.00 15.22 N +ATOM 655 CA VAL A 71 60.751 26.428 36.264 1.00 14.90 C +ATOM 656 C VAL A 71 61.002 25.070 35.601 1.00 15.21 C +ATOM 657 O VAL A 71 61.531 24.167 36.247 1.00 15.65 O +ATOM 658 CB VAL A 71 59.594 26.290 37.293 1.00 14.39 C +ATOM 659 CG1 VAL A 71 58.374 25.664 36.636 1.00 12.35 C +ATOM 660 CG2 VAL A 71 60.043 25.488 38.508 1.00 11.89 C +ATOM 661 H VAL A 71 59.602 27.925 35.284 1.00 0.00 H +ATOM 662 N GLY A 72 60.647 24.949 34.317 1.00 14.88 N +ATOM 663 CA GLY A 72 60.816 23.688 33.589 1.00 15.90 C +ATOM 664 C GLY A 72 62.174 23.017 33.789 1.00 15.72 C +ATOM 665 O GLY A 72 62.238 21.835 34.084 1.00 16.01 O +ATOM 666 H GLY A 72 60.264 25.722 33.853 1.00 0.00 H +ATOM 667 N ASN A 73 63.255 23.777 33.639 1.00 16.74 N +ATOM 668 CA ASN A 73 64.609 23.238 33.802 1.00 16.06 C +ATOM 669 C ASN A 73 64.836 22.654 35.179 1.00 15.21 C +ATOM 670 O ASN A 73 65.470 21.616 35.306 1.00 16.25 O +ATOM 671 CB ASN A 73 65.656 24.310 33.545 1.00 18.46 C +ATOM 672 CG ASN A 73 65.743 24.670 32.095 1.00 24.41 C +ATOM 673 OD1 ASN A 73 65.344 23.892 31.226 1.00 27.63 O +ATOM 674 ND2 ASN A 73 66.249 25.857 31.815 1.00 29.35 N +ATOM 675 H ASN A 73 63.144 24.722 33.396 1.00 0.00 H +ATOM 676 HD21 ASN A 73 66.336 26.113 30.875 1.00 0.00 H +ATOM 677 HD22 ASN A 73 66.513 26.439 32.560 1.00 0.00 H +ATOM 678 N ALA A 74 64.324 23.315 36.205 1.00 14.57 N +ATOM 679 CA ALA A 74 64.484 22.839 37.576 1.00 13.50 C +ATOM 680 C ALA A 74 63.721 21.536 37.777 1.00 13.94 C +ATOM 681 O ALA A 74 64.229 20.594 38.403 1.00 14.47 O +ATOM 682 CB ALA A 74 63.989 23.884 38.570 1.00 12.64 C +ATOM 683 H ALA A 74 63.826 24.141 36.042 1.00 0.00 H +ATOM 684 N VAL A 75 62.497 21.484 37.257 1.00 13.83 N +ATOM 685 CA VAL A 75 61.692 20.264 37.346 1.00 14.61 C +ATOM 686 C VAL A 75 62.395 19.091 36.621 1.00 14.98 C +ATOM 687 O VAL A 75 62.494 17.989 37.148 1.00 13.26 O +ATOM 688 CB VAL A 75 60.264 20.488 36.760 1.00 13.77 C +ATOM 689 CG1 VAL A 75 59.459 19.181 36.814 1.00 14.08 C +ATOM 690 CG2 VAL A 75 59.553 21.587 37.553 1.00 12.67 C +ATOM 691 H VAL A 75 62.126 22.276 36.813 1.00 0.00 H +ATOM 692 N LYS A 76 62.902 19.357 35.437 1.00 16.37 N +ATOM 693 CA LYS A 76 63.601 18.342 34.683 1.00 18.82 C +ATOM 694 C LYS A 76 64.836 17.842 35.419 1.00 18.91 C +ATOM 695 O LYS A 76 65.205 16.670 35.284 1.00 19.26 O +ATOM 696 CB LYS A 76 63.957 18.868 33.291 1.00 20.73 C +ATOM 697 CG LYS A 76 62.746 18.939 32.372 1.00 24.64 C +ATOM 698 CD LYS A 76 63.089 19.470 30.986 1.00 29.95 C +ATOM 699 CE LYS A 76 61.837 19.486 30.100 1.00 35.86 C +ATOM 700 NZ LYS A 76 62.119 19.960 28.707 1.00 39.64 N +ATOM 701 H LYS A 76 62.788 20.251 35.053 1.00 0.00 H +ATOM 702 HZ1 LYS A 76 62.827 19.339 28.266 1.00 0.00 H +ATOM 703 HZ2 LYS A 76 61.241 19.939 28.144 1.00 0.00 H +ATOM 704 HZ3 LYS A 76 62.486 20.931 28.739 1.00 0.00 H +ATOM 705 N MET A 77 65.461 18.698 36.212 1.00 18.06 N +ATOM 706 CA MET A 77 66.609 18.270 37.000 1.00 20.41 C +ATOM 707 C MET A 77 66.171 17.315 38.101 1.00 19.24 C +ATOM 708 O MET A 77 66.827 16.297 38.351 1.00 16.42 O +ATOM 709 CB MET A 77 67.354 19.468 37.593 1.00 25.45 C +ATOM 710 CG MET A 77 67.945 20.371 36.521 1.00 36.82 C +ATOM 711 SD MET A 77 69.394 21.272 37.081 1.00 46.15 S +ATOM 712 CE MET A 77 70.615 19.958 36.967 1.00 45.56 C +ATOM 713 H MET A 77 65.147 19.625 36.267 1.00 0.00 H +ATOM 714 N ALA A 78 65.057 17.631 38.752 1.00 16.17 N +ATOM 715 CA ALA A 78 64.508 16.734 39.763 1.00 15.60 C +ATOM 716 C ALA A 78 64.108 15.396 39.107 1.00 13.76 C +ATOM 717 O ALA A 78 64.304 14.334 39.693 1.00 14.45 O +ATOM 718 CB ALA A 78 63.299 17.372 40.444 1.00 13.17 C +ATOM 719 H ALA A 78 64.601 18.479 38.555 1.00 0.00 H +ATOM 720 N ASN A 79 63.565 15.471 37.884 1.00 13.30 N +ATOM 721 CA ASN A 79 63.166 14.278 37.131 1.00 14.75 C +ATOM 722 C ASN A 79 64.378 13.378 36.873 1.00 15.74 C +ATOM 723 O ASN A 79 64.313 12.169 37.101 1.00 15.11 O +ATOM 724 CB ASN A 79 62.524 14.637 35.782 1.00 13.86 C +ATOM 725 CG ASN A 79 61.157 15.330 35.845 1.00 15.14 C +ATOM 726 OD1 ASN A 79 60.752 15.964 34.877 1.00 15.31 O +ATOM 727 ND2 ASN A 79 60.458 15.221 36.971 1.00 15.10 N +ATOM 728 H ASN A 79 63.426 16.353 37.480 1.00 0.00 H +ATOM 729 HD21 ASN A 79 59.559 15.619 37.009 1.00 0.00 H +ATOM 730 HD22 ASN A 79 60.868 14.750 37.722 1.00 0.00 H +ATOM 731 N GLN A 80 65.482 13.975 36.430 1.00 14.52 N +ATOM 732 CA GLN A 80 66.703 13.214 36.190 1.00 15.37 C +ATOM 733 C GLN A 80 67.203 12.558 37.465 1.00 15.24 C +ATOM 734 O GLN A 80 67.718 11.434 37.441 1.00 15.83 O +ATOM 735 CB GLN A 80 67.784 14.130 35.631 1.00 17.48 C +ATOM 736 CG GLN A 80 69.125 13.457 35.377 1.00 22.08 C +ATOM 737 CD GLN A 80 70.111 14.376 34.683 1.00 25.91 C +ATOM 738 OE1 GLN A 80 70.516 15.407 35.242 1.00 29.44 O +ATOM 739 NE2 GLN A 80 70.500 14.016 33.463 1.00 27.27 N +ATOM 740 H GLN A 80 65.471 14.940 36.254 1.00 0.00 H +ATOM 741 HE21 GLN A 80 71.146 14.585 32.992 1.00 0.00 H +ATOM 742 HE22 GLN A 80 70.129 13.194 33.081 1.00 0.00 H +ATOM 743 N ALA A 81 67.048 13.249 38.578 1.00 14.36 N +ATOM 744 CA ALA A 81 67.491 12.724 39.866 1.00 13.90 C +ATOM 745 C ALA A 81 66.489 11.750 40.480 1.00 13.70 C +ATOM 746 O ALA A 81 66.712 11.259 41.579 1.00 13.62 O +ATOM 747 CB ALA A 81 67.749 13.867 40.836 1.00 13.22 C +ATOM 748 H ALA A 81 66.633 14.137 38.539 1.00 0.00 H +ATOM 749 N ASN A 82 65.385 11.474 39.778 1.00 14.02 N +ATOM 750 CA ASN A 82 64.363 10.514 40.270 1.00 15.98 C +ATOM 751 C ASN A 82 63.719 10.966 41.584 1.00 15.53 C +ATOM 752 O ASN A 82 63.430 10.150 42.479 1.00 16.60 O +ATOM 753 CB ASN A 82 64.977 9.103 40.432 1.00 16.86 C +ATOM 754 CG ASN A 82 65.667 8.666 39.160 1.00 18.92 C +ATOM 755 OD1 ASN A 82 65.022 8.531 38.116 1.00 20.60 O +ATOM 756 ND2 ASN A 82 66.987 8.474 39.228 1.00 18.45 N +ATOM 757 H ASN A 82 65.245 11.921 38.915 1.00 0.00 H +ATOM 758 HD21 ASN A 82 67.455 8.150 38.427 1.00 0.00 H +ATOM 759 HD22 ASN A 82 67.438 8.661 40.076 1.00 0.00 H +ATOM 760 N ILE A 83 63.512 12.283 41.709 1.00 15.08 N +ATOM 761 CA ILE A 83 62.845 12.834 42.877 1.00 15.05 C +ATOM 762 C ILE A 83 61.482 13.322 42.421 1.00 15.00 C +ATOM 763 O ILE A 83 61.417 14.203 41.551 1.00 14.48 O +ATOM 764 CB ILE A 83 63.643 14.012 43.480 1.00 13.98 C +ATOM 765 CG1 ILE A 83 65.023 13.511 43.898 1.00 16.81 C +ATOM 766 CG2 ILE A 83 62.896 14.608 44.674 1.00 14.29 C +ATOM 767 CD1 ILE A 83 65.918 14.592 44.460 1.00 19.67 C +ATOM 768 H ILE A 83 63.806 12.886 40.996 1.00 0.00 H +ATOM 769 N PRO A 84 60.377 12.700 42.924 1.00 13.95 N +ATOM 770 CA PRO A 84 59.010 13.086 42.551 1.00 14.95 C +ATOM 771 C PRO A 84 58.735 14.561 42.873 1.00 12.39 C +ATOM 772 O PRO A 84 59.140 15.054 43.920 1.00 12.90 O +ATOM 773 CB PRO A 84 58.137 12.156 43.380 1.00 14.86 C +ATOM 774 CG PRO A 84 59.019 10.983 43.610 1.00 15.78 C +ATOM 775 CD PRO A 84 60.361 11.578 43.876 1.00 14.33 C +ATOM 776 N VAL A 85 58.067 15.233 41.948 1.00 13.90 N +ATOM 777 CA VAL A 85 57.764 16.658 42.084 1.00 12.92 C +ATOM 778 C VAL A 85 56.252 16.910 42.203 1.00 13.88 C +ATOM 779 O VAL A 85 55.452 16.395 41.414 1.00 13.75 O +ATOM 780 CB VAL A 85 58.300 17.453 40.870 1.00 11.32 C +ATOM 781 CG1 VAL A 85 57.956 18.924 41.011 1.00 13.34 C +ATOM 782 CG2 VAL A 85 59.804 17.283 40.750 1.00 11.21 C +ATOM 783 H VAL A 85 57.768 14.762 41.142 1.00 0.00 H +ATOM 784 N ILE A 86 55.894 17.688 43.213 1.00 12.99 N +ATOM 785 CA ILE A 86 54.516 18.124 43.440 1.00 12.54 C +ATOM 786 C ILE A 86 54.539 19.653 43.448 1.00 12.33 C +ATOM 787 O ILE A 86 55.323 20.255 44.205 1.00 11.77 O +ATOM 788 CB ILE A 86 53.994 17.625 44.808 1.00 13.42 C +ATOM 789 CG1 ILE A 86 53.868 16.090 44.773 1.00 15.18 C +ATOM 790 CG2 ILE A 86 52.650 18.263 45.143 1.00 12.10 C +ATOM 791 CD1 ILE A 86 53.636 15.482 46.125 1.00 17.92 C +ATOM 792 H ILE A 86 56.591 17.993 43.837 1.00 0.00 H +ATOM 793 N THR A 87 53.749 20.271 42.583 1.00 10.99 N +ATOM 794 CA THR A 87 53.717 21.723 42.549 1.00 10.24 C +ATOM 795 C THR A 87 52.605 22.247 43.430 1.00 12.33 C +ATOM 796 O THR A 87 51.515 21.656 43.508 1.00 12.61 O +ATOM 797 CB THR A 87 53.525 22.257 41.131 1.00 11.01 C +ATOM 798 OG1 THR A 87 52.382 21.640 40.521 1.00 12.16 O +ATOM 799 CG2 THR A 87 54.771 21.989 40.300 1.00 11.49 C +ATOM 800 H THR A 87 53.176 19.753 41.983 1.00 0.00 H +ATOM 801 HG1 THR A 87 52.588 20.722 40.324 1.00 0.00 H +ATOM 802 N LEU A 88 52.886 23.349 44.099 1.00 11.36 N +ATOM 803 CA LEU A 88 51.926 23.970 44.972 1.00 12.14 C +ATOM 804 C LEU A 88 51.660 25.399 44.520 1.00 11.44 C +ATOM 805 O LEU A 88 52.614 26.151 44.263 1.00 9.49 O +ATOM 806 CB LEU A 88 52.468 24.019 46.397 1.00 12.28 C +ATOM 807 CG LEU A 88 52.904 22.698 47.046 1.00 14.39 C +ATOM 808 CD1 LEU A 88 53.469 22.990 48.421 1.00 16.07 C +ATOM 809 CD2 LEU A 88 51.736 21.741 47.166 1.00 14.59 C +ATOM 810 H LEU A 88 53.772 23.760 43.993 1.00 0.00 H +ATOM 811 N ASP A 89 50.370 25.728 44.389 1.00 10.54 N +ATOM 812 CA ASP A 89 49.886 27.083 44.122 1.00 9.16 C +ATOM 813 C ASP A 89 50.073 27.575 42.673 1.00 11.31 C +ATOM 814 O ASP A 89 49.164 28.184 42.115 1.00 13.16 O +ATOM 815 CB ASP A 89 50.494 28.041 45.167 1.00 10.27 C +ATOM 816 CG ASP A 89 50.139 29.483 44.925 1.00 12.48 C +ATOM 817 OD1 ASP A 89 48.951 29.835 45.066 1.00 12.09 O +ATOM 818 OD2 ASP A 89 51.046 30.255 44.586 1.00 9.32 O +ATOM 819 H ASP A 89 49.709 25.020 44.490 1.00 0.00 H +ATOM 820 N ARG A 90 51.233 27.325 42.070 1.00 9.85 N +ATOM 821 CA ARG A 90 51.474 27.687 40.670 1.00 10.13 C +ATOM 822 C ARG A 90 51.911 26.461 39.908 1.00 11.37 C +ATOM 823 O ARG A 90 52.566 25.595 40.459 1.00 12.75 O +ATOM 824 CB ARG A 90 52.568 28.752 40.547 1.00 10.51 C +ATOM 825 CG ARG A 90 52.240 30.061 41.266 1.00 11.70 C +ATOM 826 CD ARG A 90 53.471 30.912 41.426 1.00 10.61 C +ATOM 827 NE ARG A 90 53.222 32.122 42.211 1.00 10.09 N +ATOM 828 CZ ARG A 90 54.187 32.951 42.574 1.00 11.17 C +ATOM 829 NH1 ARG A 90 55.457 32.692 42.242 1.00 9.78 N +ATOM 830 NH2 ARG A 90 53.891 34.034 43.268 1.00 8.25 N +ATOM 831 H ARG A 90 51.946 26.880 42.571 1.00 0.00 H +ATOM 832 HE ARG A 90 52.305 32.329 42.468 1.00 0.00 H +ATOM 833 HH11 ARG A 90 55.676 31.878 41.706 1.00 0.00 H +ATOM 834 HH12 ARG A 90 56.185 33.319 42.518 1.00 0.00 H +ATOM 835 HH21 ARG A 90 52.942 34.218 43.521 1.00 0.00 H +ATOM 836 HH22 ARG A 90 54.615 34.664 43.550 1.00 0.00 H +ATOM 837 N GLN A 91 51.546 26.432 38.658 1.00 12.54 N +ATOM 838 CA GLN A 91 51.817 25.316 37.744 1.00 15.25 C +ATOM 839 C GLN A 91 53.244 25.338 37.198 1.00 16.66 C +ATOM 840 O GLN A 91 53.907 26.389 37.154 1.00 16.28 O +ATOM 841 CB GLN A 91 50.907 25.502 36.554 1.00 18.79 C +ATOM 842 CG GLN A 91 50.079 24.343 36.116 1.00 30.28 C +ATOM 843 CD GLN A 91 49.102 24.829 35.061 1.00 37.21 C +ATOM 844 OE1 GLN A 91 48.165 25.574 35.371 1.00 42.62 O +ATOM 845 NE2 GLN A 91 49.330 24.460 33.806 1.00 39.45 N +ATOM 846 H GLN A 91 51.062 27.206 38.305 1.00 0.00 H +ATOM 847 HE21 GLN A 91 48.715 24.778 33.112 1.00 0.00 H +ATOM 848 HE22 GLN A 91 50.103 23.889 33.619 1.00 0.00 H +ATOM 849 N ALA A 92 53.694 24.177 36.761 1.00 14.74 N +ATOM 850 CA ALA A 92 54.927 24.062 36.015 1.00 15.62 C +ATOM 851 C ALA A 92 54.499 23.683 34.611 1.00 17.84 C +ATOM 852 O ALA A 92 53.791 22.687 34.436 1.00 17.74 O +ATOM 853 CB ALA A 92 55.806 22.965 36.601 1.00 15.38 C +ATOM 854 H ALA A 92 53.179 23.370 36.948 1.00 0.00 H +ATOM 855 N THR A 93 54.874 24.481 33.626 1.00 19.66 N +ATOM 856 CA THR A 93 54.444 24.235 32.252 1.00 21.93 C +ATOM 857 C THR A 93 55.152 23.039 31.601 1.00 21.82 C +ATOM 858 O THR A 93 54.610 22.429 30.688 1.00 22.66 O +ATOM 859 CB THR A 93 54.686 25.480 31.387 1.00 21.84 C +ATOM 860 OG1 THR A 93 54.141 26.633 32.054 1.00 26.15 O +ATOM 861 CG2 THR A 93 54.007 25.303 30.047 1.00 24.85 C +ATOM 862 H THR A 93 55.448 25.252 33.819 1.00 0.00 H +ATOM 863 HG1 THR A 93 54.710 26.873 32.791 1.00 0.00 H +ATOM 864 N LYS A 94 56.364 22.754 32.062 1.00 20.65 N +ATOM 865 CA LYS A 94 57.187 21.680 31.511 1.00 22.06 C +ATOM 866 C LYS A 94 57.774 20.858 32.648 1.00 21.14 C +ATOM 867 O LYS A 94 57.929 21.365 33.772 1.00 20.20 O +ATOM 868 CB LYS A 94 58.346 22.268 30.679 1.00 25.97 C +ATOM 869 CG LYS A 94 57.939 22.990 29.398 1.00 32.80 C +ATOM 870 CD LYS A 94 57.471 22.018 28.317 1.00 41.22 C +ATOM 871 CE LYS A 94 58.649 21.238 27.721 1.00 47.04 C +ATOM 872 NZ LYS A 94 58.220 20.014 26.956 1.00 50.09 N +ATOM 873 H LYS A 94 56.718 23.283 32.800 1.00 0.00 H +ATOM 874 HZ1 LYS A 94 57.584 20.292 26.181 1.00 0.00 H +ATOM 875 HZ2 LYS A 94 59.059 19.543 26.560 1.00 0.00 H +ATOM 876 HZ3 LYS A 94 57.725 19.358 27.595 1.00 0.00 H +ATOM 877 N GLY A 95 58.140 19.609 32.327 1.00 19.32 N +ATOM 878 CA GLY A 95 58.683 18.702 33.319 1.00 19.42 C +ATOM 879 C GLY A 95 57.612 17.782 33.875 1.00 18.35 C +ATOM 880 O GLY A 95 56.425 18.105 33.827 1.00 18.86 O +ATOM 881 H GLY A 95 58.038 19.304 31.406 1.00 0.00 H +ATOM 882 N GLU A 96 58.017 16.631 34.380 1.00 16.84 N +ATOM 883 CA GLU A 96 57.066 15.682 34.942 1.00 18.26 C +ATOM 884 C GLU A 96 56.697 16.029 36.366 1.00 16.80 C +ATOM 885 O GLU A 96 57.565 16.115 37.244 1.00 15.11 O +ATOM 886 CB GLU A 96 57.607 14.254 34.913 1.00 22.23 C +ATOM 887 CG GLU A 96 57.517 13.538 33.573 1.00 34.19 C +ATOM 888 CD GLU A 96 57.832 12.029 33.694 1.00 41.23 C +ATOM 889 OE1 GLU A 96 57.817 11.478 34.845 1.00 44.15 O +ATOM 890 OE2 GLU A 96 58.093 11.387 32.645 1.00 43.72 O +ATOM 891 H GLU A 96 58.973 16.417 34.377 1.00 0.00 H +ATOM 892 N VAL A 97 55.387 16.195 36.582 1.00 16.33 N +ATOM 893 CA VAL A 97 54.843 16.526 37.893 1.00 16.13 C +ATOM 894 C VAL A 97 53.819 15.465 38.300 1.00 16.69 C +ATOM 895 O VAL A 97 52.951 15.106 37.507 1.00 17.60 O +ATOM 896 CB VAL A 97 54.169 17.941 37.872 1.00 15.16 C +ATOM 897 CG1 VAL A 97 53.485 18.240 39.198 1.00 15.26 C +ATOM 898 CG2 VAL A 97 55.235 18.996 37.588 1.00 14.61 C +ATOM 899 H VAL A 97 54.766 16.086 35.827 1.00 0.00 H +ATOM 900 N VAL A 98 53.927 14.979 39.528 1.00 15.85 N +ATOM 901 CA VAL A 98 53.028 13.941 40.027 1.00 18.17 C +ATOM 902 C VAL A 98 51.643 14.500 40.371 1.00 18.31 C +ATOM 903 O VAL A 98 50.611 13.894 40.059 1.00 17.12 O +ATOM 904 CB VAL A 98 53.604 13.272 41.297 1.00 20.27 C +ATOM 905 CG1 VAL A 98 52.669 12.173 41.767 1.00 23.81 C +ATOM 906 CG2 VAL A 98 54.986 12.707 41.016 1.00 24.14 C +ATOM 907 H VAL A 98 54.622 15.332 40.121 1.00 0.00 H +ATOM 908 N SER A 99 51.630 15.648 41.026 1.00 15.47 N +ATOM 909 CA SER A 99 50.381 16.246 41.453 1.00 15.42 C +ATOM 910 C SER A 99 50.525 17.770 41.535 1.00 15.53 C +ATOM 911 O SER A 99 51.640 18.289 41.727 1.00 14.62 O +ATOM 912 CB SER A 99 49.995 15.684 42.824 1.00 13.97 C +ATOM 913 OG SER A 99 48.656 16.002 43.140 1.00 17.52 O +ATOM 914 H SER A 99 52.475 16.099 41.232 1.00 0.00 H +ATOM 915 HG SER A 99 48.065 15.397 42.683 1.00 0.00 H +ATOM 916 N HIS A 100 49.401 18.471 41.355 1.00 14.57 N +ATOM 917 CA HIS A 100 49.371 19.926 41.448 1.00 14.17 C +ATOM 918 C HIS A 100 48.236 20.336 42.398 1.00 15.51 C +ATOM 919 O HIS A 100 47.107 19.876 42.268 1.00 14.71 O +ATOM 920 CB HIS A 100 49.158 20.528 40.057 1.00 13.91 C +ATOM 921 CG HIS A 100 49.010 22.026 40.042 1.00 16.06 C +ATOM 922 ND1 HIS A 100 49.911 22.895 40.638 1.00 16.46 N +ATOM 923 CD2 HIS A 100 48.020 22.829 39.559 1.00 19.74 C +ATOM 924 CE1 HIS A 100 49.512 24.149 40.549 1.00 17.52 C +ATOM 925 NE2 HIS A 100 48.371 24.116 39.898 1.00 18.09 N +ATOM 926 H HIS A 100 48.570 17.993 41.161 1.00 0.00 H +ATOM 927 HD1 HIS A 100 50.761 22.616 41.046 1.00 0.00 H +ATOM 928 HE2 HIS A 100 47.838 24.908 39.676 1.00 0.00 H +ATOM 929 N ILE A 101 48.551 21.170 43.372 1.00 13.53 N +ATOM 930 CA ILE A 101 47.574 21.591 44.346 1.00 13.01 C +ATOM 931 C ILE A 101 47.441 23.106 44.318 1.00 15.05 C +ATOM 932 O ILE A 101 48.408 23.822 44.575 1.00 12.55 O +ATOM 933 CB ILE A 101 48.016 21.123 45.742 1.00 14.57 C +ATOM 934 CG1 ILE A 101 48.145 19.576 45.725 1.00 16.22 C +ATOM 935 CG2 ILE A 101 47.030 21.593 46.811 1.00 14.14 C +ATOM 936 CD1 ILE A 101 48.802 18.979 46.947 1.00 18.83 C +ATOM 937 H ILE A 101 49.468 21.505 43.445 1.00 0.00 H +ATOM 938 N ALA A 102 46.253 23.601 43.993 1.00 14.56 N +ATOM 939 CA ALA A 102 46.049 25.053 43.892 1.00 14.83 C +ATOM 940 C ALA A 102 44.558 25.414 43.877 1.00 16.06 C +ATOM 941 O ALA A 102 43.691 24.554 43.700 1.00 14.83 O +ATOM 942 CB ALA A 102 46.700 25.581 42.613 1.00 13.97 C +ATOM 943 H ALA A 102 45.502 22.992 43.826 1.00 0.00 H +ATOM 944 N SER A 103 44.293 26.695 44.078 1.00 14.03 N +ATOM 945 CA SER A 103 42.948 27.233 44.008 1.00 13.84 C +ATOM 946 C SER A 103 42.513 27.379 42.551 1.00 12.67 C +ATOM 947 O SER A 103 43.346 27.365 41.625 1.00 14.33 O +ATOM 948 CB SER A 103 42.920 28.624 44.677 1.00 11.63 C +ATOM 949 OG SER A 103 43.361 28.547 46.019 1.00 15.15 O +ATOM 950 H SER A 103 45.033 27.301 44.288 1.00 0.00 H +ATOM 951 HG SER A 103 42.621 28.335 46.600 1.00 0.00 H +ATOM 952 N ASP A 104 41.205 27.519 42.336 1.00 12.16 N +ATOM 953 CA ASP A 104 40.711 27.812 41.011 1.00 11.98 C +ATOM 954 C ASP A 104 40.846 29.353 40.779 1.00 12.89 C +ATOM 955 O ASP A 104 39.947 30.137 41.101 1.00 13.63 O +ATOM 956 CB ASP A 104 39.249 27.370 40.890 1.00 13.66 C +ATOM 957 CG ASP A 104 38.723 27.428 39.468 1.00 16.50 C +ATOM 958 OD1 ASP A 104 39.339 28.095 38.607 1.00 17.77 O +ATOM 959 OD2 ASP A 104 37.681 26.811 39.207 1.00 19.98 O +ATOM 960 H ASP A 104 40.576 27.430 43.081 1.00 0.00 H +ATOM 961 N ASN A 105 41.972 29.755 40.206 1.00 11.83 N +ATOM 962 CA ASN A 105 42.266 31.161 40.022 1.00 12.69 C +ATOM 963 C ASN A 105 41.430 31.832 38.942 1.00 12.93 C +ATOM 964 O ASN A 105 41.207 33.044 39.005 1.00 13.74 O +ATOM 965 CB ASN A 105 43.768 31.348 39.796 1.00 12.36 C +ATOM 966 CG ASN A 105 44.539 31.059 41.072 1.00 13.66 C +ATOM 967 OD1 ASN A 105 44.302 31.664 42.113 1.00 14.82 O +ATOM 968 ND2 ASN A 105 45.446 30.111 41.010 1.00 16.08 N +ATOM 969 H ASN A 105 42.619 29.084 39.902 1.00 0.00 H +ATOM 970 HD21 ASN A 105 45.976 29.918 41.812 1.00 0.00 H +ATOM 971 HD22 ASN A 105 45.564 29.634 40.161 1.00 0.00 H +ATOM 972 N VAL A 106 40.964 31.072 37.956 1.00 12.59 N +ATOM 973 CA VAL A 106 40.051 31.640 36.948 1.00 13.90 C +ATOM 974 C VAL A 106 38.707 32.028 37.622 1.00 14.85 C +ATOM 975 O VAL A 106 38.171 33.152 37.439 1.00 14.02 O +ATOM 976 CB VAL A 106 39.798 30.645 35.782 1.00 14.67 C +ATOM 977 CG1 VAL A 106 38.736 31.183 34.837 1.00 14.50 C +ATOM 978 CG2 VAL A 106 41.084 30.411 35.008 1.00 14.49 C +ATOM 979 H VAL A 106 41.235 30.133 37.896 1.00 0.00 H +ATOM 980 N LEU A 107 38.179 31.114 38.436 1.00 13.67 N +ATOM 981 CA LEU A 107 36.963 31.394 39.175 1.00 14.17 C +ATOM 982 C LEU A 107 37.174 32.607 40.097 1.00 13.96 C +ATOM 983 O LEU A 107 36.326 33.510 40.155 1.00 12.87 O +ATOM 984 CB LEU A 107 36.572 30.179 40.018 1.00 15.41 C +ATOM 985 CG LEU A 107 35.385 30.397 40.960 1.00 17.78 C +ATOM 986 CD1 LEU A 107 34.082 30.398 40.161 1.00 19.82 C +ATOM 987 CD2 LEU A 107 35.376 29.336 42.056 1.00 20.05 C +ATOM 988 H LEU A 107 38.618 30.248 38.541 1.00 0.00 H +ATOM 989 N GLY A 108 38.331 32.612 40.807 1.00 13.43 N +ATOM 990 CA GLY A 108 38.659 33.695 41.734 1.00 12.53 C +ATOM 991 C GLY A 108 38.610 35.062 41.084 1.00 11.29 C +ATOM 992 O GLY A 108 38.034 35.988 41.647 1.00 11.98 O +ATOM 993 H GLY A 108 38.959 31.866 40.703 1.00 0.00 H +ATOM 994 N GLY A 109 39.197 35.173 39.888 1.00 10.67 N +ATOM 995 CA GLY A 109 39.217 36.441 39.180 1.00 13.77 C +ATOM 996 C GLY A 109 37.823 36.888 38.757 1.00 16.63 C +ATOM 997 O GLY A 109 37.480 38.077 38.855 1.00 15.82 O +ATOM 998 H GLY A 109 39.624 34.387 39.484 1.00 0.00 H +ATOM 999 N LYS A 110 37.004 35.946 38.283 1.00 16.68 N +ATOM 1000 CA LYS A 110 35.640 36.278 37.861 1.00 15.85 C +ATOM 1001 C LYS A 110 34.792 36.722 39.051 1.00 15.48 C +ATOM 1002 O LYS A 110 34.013 37.659 38.939 1.00 15.90 O +ATOM 1003 CB LYS A 110 34.983 35.067 37.179 1.00 16.66 C +ATOM 1004 CG LYS A 110 33.509 35.280 36.875 1.00 18.13 C +ATOM 1005 CD LYS A 110 32.919 34.076 36.170 1.00 19.98 C +ATOM 1006 CE LYS A 110 31.562 33.725 36.739 1.00 24.17 C +ATOM 1007 NZ LYS A 110 30.580 34.828 36.577 1.00 20.02 N +ATOM 1008 H LYS A 110 37.317 35.018 38.218 1.00 0.00 H +ATOM 1009 HZ1 LYS A 110 30.938 35.680 37.048 1.00 0.00 H +ATOM 1010 HZ2 LYS A 110 30.443 35.024 35.563 1.00 0.00 H +ATOM 1011 HZ3 LYS A 110 29.675 34.549 37.005 1.00 0.00 H +ATOM 1012 N ILE A 111 34.952 36.031 40.180 1.00 13.76 N +ATOM 1013 CA ILE A 111 34.213 36.345 41.403 1.00 16.47 C +ATOM 1014 C ILE A 111 34.546 37.769 41.916 1.00 16.37 C +ATOM 1015 O ILE A 111 33.656 38.505 42.365 1.00 14.43 O +ATOM 1016 CB ILE A 111 34.529 35.288 42.502 1.00 18.98 C +ATOM 1017 CG1 ILE A 111 33.715 34.032 42.247 1.00 21.62 C +ATOM 1018 CG2 ILE A 111 34.224 35.812 43.897 1.00 22.07 C +ATOM 1019 CD1 ILE A 111 33.998 32.956 43.283 1.00 25.15 C +ATOM 1020 H ILE A 111 35.588 35.279 40.187 1.00 0.00 H +ATOM 1021 N ALA A 112 35.830 38.136 41.842 1.00 13.53 N +ATOM 1022 CA ALA A 112 36.274 39.453 42.242 1.00 12.37 C +ATOM 1023 C ALA A 112 35.625 40.521 41.345 1.00 11.42 C +ATOM 1024 O ALA A 112 35.107 41.528 41.836 1.00 13.40 O +ATOM 1025 CB ALA A 112 37.797 39.517 42.155 1.00 10.44 C +ATOM 1026 H ALA A 112 36.490 37.489 41.515 1.00 0.00 H +ATOM 1027 N GLY A 113 35.646 40.288 40.034 1.00 11.26 N +ATOM 1028 CA GLY A 113 35.019 41.210 39.096 1.00 14.46 C +ATOM 1029 C GLY A 113 33.505 41.321 39.286 1.00 15.54 C +ATOM 1030 O GLY A 113 32.945 42.414 39.204 1.00 16.22 O +ATOM 1031 H GLY A 113 36.096 39.485 39.691 1.00 0.00 H +ATOM 1032 N ASP A 114 32.835 40.186 39.529 1.00 15.50 N +ATOM 1033 CA ASP A 114 31.384 40.189 39.773 1.00 15.45 C +ATOM 1034 C ASP A 114 31.030 40.996 41.010 1.00 14.69 C +ATOM 1035 O ASP A 114 29.996 41.649 41.035 1.00 16.23 O +ATOM 1036 CB ASP A 114 30.840 38.764 39.953 1.00 14.39 C +ATOM 1037 CG ASP A 114 30.821 37.939 38.687 1.00 15.03 C +ATOM 1038 OD1 ASP A 114 30.816 38.522 37.589 1.00 17.11 O +ATOM 1039 OD2 ASP A 114 30.810 36.705 38.797 1.00 16.98 O +ATOM 1040 H ASP A 114 33.321 39.334 39.540 1.00 0.00 H +ATOM 1041 N TYR A 115 31.869 40.952 42.035 1.00 14.42 N +ATOM 1042 CA TYR A 115 31.589 41.717 43.240 1.00 15.83 C +ATOM 1043 C TYR A 115 31.747 43.224 42.994 1.00 17.62 C +ATOM 1044 O TYR A 115 31.044 44.048 43.591 1.00 15.54 O +ATOM 1045 CB TYR A 115 32.492 41.298 44.382 1.00 16.93 C +ATOM 1046 CG TYR A 115 32.157 42.006 45.678 1.00 20.56 C +ATOM 1047 CD1 TYR A 115 30.957 41.739 46.348 1.00 21.92 C +ATOM 1048 CD2 TYR A 115 33.028 42.951 46.228 1.00 21.31 C +ATOM 1049 CE1 TYR A 115 30.645 42.381 47.537 1.00 23.04 C +ATOM 1050 CE2 TYR A 115 32.723 43.596 47.417 1.00 25.17 C +ATOM 1051 CZ TYR A 115 31.532 43.312 48.066 1.00 26.17 C +ATOM 1052 OH TYR A 115 31.261 43.916 49.274 1.00 30.61 O +ATOM 1053 H TYR A 115 32.680 40.407 41.980 1.00 0.00 H +ATOM 1054 HH TYR A 115 32.064 44.323 49.612 1.00 0.00 H +ATOM 1055 N ILE A 116 32.689 43.579 42.131 1.00 16.86 N +ATOM 1056 CA ILE A 116 32.883 44.972 41.788 1.00 16.78 C +ATOM 1057 C ILE A 116 31.650 45.475 41.066 1.00 16.86 C +ATOM 1058 O ILE A 116 31.118 46.532 41.395 1.00 16.38 O +ATOM 1059 CB ILE A 116 34.150 45.168 40.906 1.00 16.92 C +ATOM 1060 CG1 ILE A 116 35.402 45.024 41.784 1.00 17.44 C +ATOM 1061 CG2 ILE A 116 34.138 46.527 40.226 1.00 16.25 C +ATOM 1062 CD1 ILE A 116 36.700 44.967 41.013 1.00 15.65 C +ATOM 1063 H ILE A 116 33.265 42.893 41.730 1.00 0.00 H +ATOM 1064 N ALA A 117 31.185 44.703 40.106 1.00 16.97 N +ATOM 1065 CA ALA A 117 30.009 45.083 39.357 1.00 20.81 C +ATOM 1066 C ALA A 117 28.795 45.278 40.288 1.00 23.75 C +ATOM 1067 O ALA A 117 27.983 46.180 40.090 1.00 24.15 O +ATOM 1068 CB ALA A 117 29.730 44.029 38.316 1.00 18.54 C +ATOM 1069 H ALA A 117 31.650 43.869 39.889 1.00 0.00 H +ATOM 1070 N LYS A 118 28.699 44.447 41.313 1.00 25.38 N +ATOM 1071 CA LYS A 118 27.596 44.514 42.263 1.00 27.85 C +ATOM 1072 C LYS A 118 27.627 45.793 43.091 1.00 28.33 C +ATOM 1073 O LYS A 118 26.579 46.283 43.495 1.00 29.75 O +ATOM 1074 CB LYS A 118 27.648 43.286 43.181 1.00 31.44 C +ATOM 1075 CG LYS A 118 26.729 43.307 44.395 1.00 36.89 C +ATOM 1076 CD LYS A 118 26.739 41.945 45.086 1.00 41.98 C +ATOM 1077 CE LYS A 118 26.325 42.034 46.555 1.00 45.61 C +ATOM 1078 NZ LYS A 118 24.959 42.611 46.725 1.00 48.61 N +ATOM 1079 H LYS A 118 29.387 43.762 41.435 1.00 0.00 H +ATOM 1080 HZ1 LYS A 118 24.936 43.566 46.319 1.00 0.00 H +ATOM 1081 HZ2 LYS A 118 24.262 42.011 46.236 1.00 0.00 H +ATOM 1082 HZ3 LYS A 118 24.726 42.659 47.739 1.00 0.00 H +ATOM 1083 N LYS A 119 28.814 46.335 43.341 1.00 26.94 N +ATOM 1084 CA LYS A 119 28.915 47.529 44.165 1.00 27.63 C +ATOM 1085 C LYS A 119 29.039 48.824 43.343 1.00 28.54 C +ATOM 1086 O LYS A 119 28.243 49.761 43.517 1.00 30.42 O +ATOM 1087 CB LYS A 119 30.092 47.423 45.136 1.00 27.49 C +ATOM 1088 CG LYS A 119 30.187 46.107 45.874 1.00 31.25 C +ATOM 1089 CD LYS A 119 28.844 45.639 46.410 1.00 37.10 C +ATOM 1090 CE LYS A 119 28.345 46.496 47.553 1.00 40.74 C +ATOM 1091 NZ LYS A 119 27.277 45.788 48.313 1.00 44.69 N +ATOM 1092 H LYS A 119 29.623 45.932 42.967 1.00 0.00 H +ATOM 1093 HZ1 LYS A 119 27.656 44.898 48.694 1.00 0.00 H +ATOM 1094 HZ2 LYS A 119 26.953 46.390 49.095 1.00 0.00 H +ATOM 1095 HZ3 LYS A 119 26.479 45.582 47.679 1.00 0.00 H +ATOM 1096 N ALA A 120 30.033 48.871 42.460 1.00 27.01 N +ATOM 1097 CA ALA A 120 30.305 50.060 41.645 1.00 27.21 C +ATOM 1098 C ALA A 120 29.396 50.149 40.416 1.00 27.52 C +ATOM 1099 O ALA A 120 29.362 51.168 39.717 1.00 29.32 O +ATOM 1100 CB ALA A 120 31.766 50.040 41.210 1.00 24.56 C +ATOM 1101 H ALA A 120 30.604 48.086 42.350 1.00 0.00 H +ATOM 1102 N GLY A 121 28.699 49.072 40.135 1.00 27.38 N +ATOM 1103 CA GLY A 121 27.789 49.059 39.018 1.00 25.68 C +ATOM 1104 C GLY A 121 28.407 48.629 37.706 1.00 26.16 C +ATOM 1105 O GLY A 121 29.631 48.596 37.543 1.00 25.17 O +ATOM 1106 H GLY A 121 28.796 48.274 40.693 1.00 0.00 H +ATOM 1107 N GLU A 122 27.535 48.271 36.768 1.00 26.13 N +ATOM 1108 CA GLU A 122 27.958 47.896 35.428 1.00 26.95 C +ATOM 1109 C GLU A 122 28.654 49.081 34.754 1.00 25.43 C +ATOM 1110 O GLU A 122 28.372 50.241 35.084 1.00 23.55 O +ATOM 1111 CB GLU A 122 26.733 47.470 34.599 1.00 30.56 C +ATOM 1112 CG GLU A 122 26.857 46.108 33.921 1.00 36.67 C +ATOM 1113 CD GLU A 122 26.521 44.900 34.804 1.00 38.32 C +ATOM 1114 OE1 GLU A 122 26.516 45.008 36.062 1.00 38.61 O +ATOM 1115 OE2 GLU A 122 26.261 43.823 34.223 1.00 43.05 O +ATOM 1116 H GLU A 122 26.579 48.259 36.987 1.00 0.00 H +ATOM 1117 N GLY A 123 29.566 48.780 33.831 1.00 22.76 N +ATOM 1118 CA GLY A 123 30.304 49.819 33.135 1.00 22.31 C +ATOM 1119 C GLY A 123 31.295 50.593 34.009 1.00 22.91 C +ATOM 1120 O GLY A 123 31.861 51.592 33.548 1.00 25.16 O +ATOM 1121 H GLY A 123 29.742 47.844 33.618 1.00 0.00 H +ATOM 1122 N ALA A 124 31.521 50.151 35.261 1.00 20.29 N +ATOM 1123 CA ALA A 124 32.444 50.855 36.168 1.00 20.03 C +ATOM 1124 C ALA A 124 33.850 51.026 35.571 1.00 18.81 C +ATOM 1125 O ALA A 124 34.294 50.234 34.724 1.00 19.57 O +ATOM 1126 CB ALA A 124 32.539 50.122 37.507 1.00 19.51 C +ATOM 1127 H ALA A 124 31.066 49.345 35.575 1.00 0.00 H +ATOM 1128 N LYS A 125 34.524 52.094 35.987 1.00 19.13 N +ATOM 1129 CA LYS A 125 35.904 52.365 35.557 1.00 17.98 C +ATOM 1130 C LYS A 125 36.846 51.677 36.512 1.00 16.13 C +ATOM 1131 O LYS A 125 36.867 51.993 37.707 1.00 15.46 O +ATOM 1132 CB LYS A 125 36.184 53.872 35.550 1.00 20.13 C +ATOM 1133 CG LYS A 125 35.484 54.614 34.428 1.00 22.08 C +ATOM 1134 CD LYS A 125 35.700 56.106 34.557 1.00 25.65 C +ATOM 1135 CE LYS A 125 35.082 56.841 33.384 1.00 30.25 C +ATOM 1136 NZ LYS A 125 35.210 58.321 33.528 1.00 34.06 N +ATOM 1137 H LYS A 125 34.086 52.721 36.595 1.00 0.00 H +ATOM 1138 HZ1 LYS A 125 34.803 58.615 34.437 1.00 0.00 H +ATOM 1139 HZ2 LYS A 125 36.210 58.589 33.490 1.00 0.00 H +ATOM 1140 HZ3 LYS A 125 34.698 58.792 32.752 1.00 0.00 H +ATOM 1141 N VAL A 126 37.626 50.752 36.000 1.00 15.32 N +ATOM 1142 CA VAL A 126 38.461 49.931 36.876 1.00 15.88 C +ATOM 1143 C VAL A 126 39.951 49.942 36.495 1.00 15.14 C +ATOM 1144 O VAL A 126 40.320 50.163 35.341 1.00 16.18 O +ATOM 1145 CB VAL A 126 37.961 48.430 36.881 1.00 15.66 C +ATOM 1146 CG1 VAL A 126 36.466 48.337 37.205 1.00 16.30 C +ATOM 1147 CG2 VAL A 126 38.238 47.782 35.535 1.00 16.97 C +ATOM 1148 H VAL A 126 37.651 50.614 35.031 1.00 0.00 H +ATOM 1149 N ILE A 127 40.799 49.708 37.496 1.00 14.84 N +ATOM 1150 CA ILE A 127 42.209 49.455 37.253 1.00 13.58 C +ATOM 1151 C ILE A 127 42.536 48.055 37.803 1.00 13.68 C +ATOM 1152 O ILE A 127 42.000 47.647 38.849 1.00 14.54 O +ATOM 1153 CB ILE A 127 43.111 50.516 37.931 1.00 14.07 C +ATOM 1154 CG1 ILE A 127 43.077 51.811 37.102 1.00 16.66 C +ATOM 1155 CG2 ILE A 127 44.550 50.018 38.079 1.00 13.54 C +ATOM 1156 CD1 ILE A 127 43.716 53.001 37.810 1.00 15.94 C +ATOM 1157 H ILE A 127 40.459 49.694 38.419 1.00 0.00 H +ATOM 1158 N GLU A 128 43.370 47.309 37.091 1.00 12.27 N +ATOM 1159 CA GLU A 128 43.791 45.993 37.565 1.00 10.93 C +ATOM 1160 C GLU A 128 45.279 45.993 37.877 1.00 9.88 C +ATOM 1161 O GLU A 128 46.099 46.376 37.044 1.00 11.34 O +ATOM 1162 CB GLU A 128 43.509 44.922 36.507 1.00 11.63 C +ATOM 1163 CG GLU A 128 43.933 43.519 36.939 1.00 16.13 C +ATOM 1164 CD GLU A 128 43.788 42.457 35.844 1.00 18.66 C +ATOM 1165 OE1 GLU A 128 43.952 42.791 34.653 1.00 22.88 O +ATOM 1166 OE2 GLU A 128 43.518 41.279 36.179 1.00 19.90 O +ATOM 1167 H GLU A 128 43.715 47.649 36.237 1.00 0.00 H +ATOM 1168 N LEU A 129 45.613 45.606 39.083 1.00 9.27 N +ATOM 1169 CA LEU A 129 47.010 45.411 39.464 1.00 9.99 C +ATOM 1170 C LEU A 129 47.316 43.918 39.363 1.00 10.21 C +ATOM 1171 O LEU A 129 46.827 43.113 40.171 1.00 10.36 O +ATOM 1172 CB LEU A 129 47.266 45.901 40.899 1.00 12.04 C +ATOM 1173 CG LEU A 129 47.045 47.399 41.159 1.00 14.66 C +ATOM 1174 CD1 LEU A 129 47.309 47.725 42.620 1.00 15.34 C +ATOM 1175 CD2 LEU A 129 47.951 48.217 40.259 1.00 16.05 C +ATOM 1176 H LEU A 129 44.907 45.438 39.745 1.00 0.00 H +ATOM 1177 N GLN A 130 48.082 43.563 38.341 1.00 11.00 N +ATOM 1178 CA GLN A 130 48.416 42.169 38.048 1.00 11.75 C +ATOM 1179 C GLN A 130 49.576 41.648 38.896 1.00 12.15 C +ATOM 1180 O GLN A 130 50.434 42.409 39.368 1.00 10.85 O +ATOM 1181 CB GLN A 130 48.777 42.059 36.570 1.00 12.51 C +ATOM 1182 CG GLN A 130 47.722 42.668 35.672 1.00 17.63 C +ATOM 1183 CD GLN A 130 48.058 42.591 34.203 1.00 22.08 C +ATOM 1184 OE1 GLN A 130 49.094 43.059 33.770 1.00 27.22 O +ATOM 1185 NE2 GLN A 130 47.156 42.013 33.421 1.00 27.67 N +ATOM 1186 H GLN A 130 48.454 44.262 37.770 1.00 0.00 H +ATOM 1187 HE21 GLN A 130 47.343 41.953 32.463 1.00 0.00 H +ATOM 1188 HE22 GLN A 130 46.336 41.667 33.832 1.00 0.00 H +ATOM 1189 N GLY A 131 49.609 40.331 39.079 1.00 13.08 N +ATOM 1190 CA GLY A 131 50.711 39.717 39.796 1.00 11.71 C +ATOM 1191 C GLY A 131 51.898 39.509 38.884 1.00 12.08 C +ATOM 1192 O GLY A 131 51.972 40.101 37.800 1.00 12.06 O +ATOM 1193 H GLY A 131 48.893 39.769 38.720 1.00 0.00 H +ATOM 1194 N ILE A 132 52.812 38.651 39.308 1.00 12.57 N +ATOM 1195 CA ILE A 132 54.019 38.378 38.534 1.00 13.64 C +ATOM 1196 C ILE A 132 53.681 37.752 37.192 1.00 15.26 C +ATOM 1197 O ILE A 132 53.047 36.681 37.117 1.00 13.37 O +ATOM 1198 CB ILE A 132 54.981 37.438 39.317 1.00 14.48 C +ATOM 1199 CG1 ILE A 132 55.521 38.169 40.558 1.00 13.51 C +ATOM 1200 CG2 ILE A 132 56.119 36.952 38.424 1.00 12.54 C +ATOM 1201 CD1 ILE A 132 56.276 37.274 41.518 1.00 14.76 C +ATOM 1202 H ILE A 132 52.667 38.180 40.153 1.00 0.00 H +ATOM 1203 N ALA A 133 54.065 38.429 36.130 1.00 15.75 N +ATOM 1204 CA ALA A 133 53.867 37.891 34.810 1.00 18.63 C +ATOM 1205 C ALA A 133 54.714 36.625 34.677 1.00 19.82 C +ATOM 1206 O ALA A 133 55.867 36.565 35.145 1.00 23.84 O +ATOM 1207 CB ALA A 133 54.272 38.915 33.765 1.00 19.79 C +ATOM 1208 H ALA A 133 54.491 39.302 36.237 1.00 0.00 H +ATOM 1209 N GLY A 134 54.158 35.626 34.055 1.00 18.43 N +ATOM 1210 CA GLY A 134 54.864 34.356 33.958 1.00 16.79 C +ATOM 1211 C GLY A 134 54.401 33.336 34.992 1.00 15.01 C +ATOM 1212 O GLY A 134 54.834 32.202 34.953 1.00 17.50 O +ATOM 1213 H GLY A 134 53.280 35.731 33.652 1.00 0.00 H +ATOM 1214 N THR A 135 53.571 33.742 35.955 1.00 11.95 N +ATOM 1215 CA THR A 135 53.012 32.785 36.888 1.00 10.72 C +ATOM 1216 C THR A 135 51.597 32.418 36.465 1.00 11.97 C +ATOM 1217 O THR A 135 50.825 33.281 36.027 1.00 12.37 O +ATOM 1218 CB THR A 135 52.967 33.295 38.342 1.00 11.60 C +ATOM 1219 OG1 THR A 135 52.087 34.414 38.449 1.00 11.81 O +ATOM 1220 CG2 THR A 135 54.357 33.674 38.823 1.00 11.71 C +ATOM 1221 H THR A 135 53.347 34.690 36.037 1.00 0.00 H +ATOM 1222 HG1 THR A 135 52.545 35.210 38.159 1.00 0.00 H +ATOM 1223 N SER A 136 51.257 31.128 36.585 1.00 12.78 N +ATOM 1224 CA SER A 136 49.912 30.663 36.239 1.00 13.10 C +ATOM 1225 C SER A 136 48.848 31.421 37.042 1.00 12.00 C +ATOM 1226 O SER A 136 47.783 31.741 36.515 1.00 12.22 O +ATOM 1227 CB SER A 136 49.782 29.141 36.506 1.00 10.89 C +ATOM 1228 OG SER A 136 50.142 28.831 37.839 1.00 11.38 O +ATOM 1229 H SER A 136 51.925 30.481 36.887 1.00 0.00 H +ATOM 1230 HG SER A 136 51.052 29.100 37.986 1.00 0.00 H +ATOM 1231 N ALA A 137 49.155 31.688 38.314 1.00 11.53 N +ATOM 1232 CA ALA A 137 48.219 32.380 39.198 1.00 13.66 C +ATOM 1233 C ALA A 137 47.827 33.747 38.631 1.00 13.25 C +ATOM 1234 O ALA A 137 46.638 34.040 38.512 1.00 15.02 O +ATOM 1235 CB ALA A 137 48.812 32.529 40.593 1.00 12.96 C +ATOM 1236 H ALA A 137 50.023 31.408 38.662 1.00 0.00 H +ATOM 1237 N ALA A 138 48.810 34.560 38.238 1.00 12.36 N +ATOM 1238 CA ALA A 138 48.495 35.883 37.667 1.00 12.44 C +ATOM 1239 C ALA A 138 47.730 35.732 36.362 1.00 12.37 C +ATOM 1240 O ALA A 138 46.720 36.404 36.145 1.00 12.04 O +ATOM 1241 CB ALA A 138 49.766 36.697 37.437 1.00 10.19 C +ATOM 1242 H ALA A 138 49.744 34.280 38.341 1.00 0.00 H +ATOM 1243 N ARG A 139 48.206 34.828 35.504 1.00 13.25 N +ATOM 1244 CA ARG A 139 47.576 34.576 34.215 1.00 13.60 C +ATOM 1245 C ARG A 139 46.079 34.195 34.372 1.00 13.08 C +ATOM 1246 O ARG A 139 45.194 34.768 33.723 1.00 12.69 O +ATOM 1247 CB ARG A 139 48.329 33.445 33.527 1.00 16.76 C +ATOM 1248 CG ARG A 139 48.041 33.282 32.048 1.00 26.40 C +ATOM 1249 CD ARG A 139 48.489 31.909 31.545 1.00 33.94 C +ATOM 1250 NE ARG A 139 47.444 30.878 31.722 1.00 43.01 N +ATOM 1251 CZ ARG A 139 47.544 29.837 32.580 1.00 45.69 C +ATOM 1252 NH1 ARG A 139 48.636 29.667 33.314 1.00 46.98 N +ATOM 1253 NH2 ARG A 139 46.547 28.959 32.690 1.00 48.69 N +ATOM 1254 H ARG A 139 49.006 34.315 35.752 1.00 0.00 H +ATOM 1255 HE ARG A 139 46.630 30.953 31.177 1.00 0.00 H +ATOM 1256 HH11 ARG A 139 49.389 30.318 33.243 1.00 0.00 H +ATOM 1257 HH12 ARG A 139 48.689 28.905 33.958 1.00 0.00 H +ATOM 1258 HH21 ARG A 139 45.728 29.059 32.122 1.00 0.00 H +ATOM 1259 HH22 ARG A 139 46.622 28.193 33.326 1.00 0.00 H +ATOM 1260 N GLU A 140 45.801 33.263 35.269 1.00 12.05 N +ATOM 1261 CA GLU A 140 44.436 32.778 35.468 1.00 13.00 C +ATOM 1262 C GLU A 140 43.509 33.817 36.098 1.00 11.67 C +ATOM 1263 O GLU A 140 42.330 33.922 35.708 1.00 11.93 O +ATOM 1264 CB GLU A 140 44.477 31.513 36.294 1.00 12.99 C +ATOM 1265 CG GLU A 140 45.087 30.370 35.526 1.00 19.39 C +ATOM 1266 CD GLU A 140 45.349 29.150 36.383 1.00 26.88 C +ATOM 1267 OE1 GLU A 140 45.142 29.219 37.627 1.00 26.87 O +ATOM 1268 OE2 GLU A 140 45.775 28.120 35.806 1.00 31.36 O +ATOM 1269 H GLU A 140 46.524 32.892 35.813 1.00 0.00 H +ATOM 1270 N ARG A 141 44.013 34.573 37.076 1.00 11.09 N +ATOM 1271 CA ARG A 141 43.205 35.639 37.672 1.00 10.97 C +ATOM 1272 C ARG A 141 42.861 36.696 36.641 1.00 11.08 C +ATOM 1273 O ARG A 141 41.745 37.201 36.636 1.00 13.44 O +ATOM 1274 CB ARG A 141 43.895 36.253 38.879 1.00 11.09 C +ATOM 1275 CG ARG A 141 43.868 35.314 40.058 1.00 11.19 C +ATOM 1276 CD ARG A 141 44.816 35.708 41.174 1.00 11.11 C +ATOM 1277 NE ARG A 141 45.076 34.546 42.011 1.00 11.34 N +ATOM 1278 CZ ARG A 141 46.020 34.486 42.935 1.00 11.85 C +ATOM 1279 NH1 ARG A 141 46.758 35.550 43.232 1.00 10.31 N +ATOM 1280 NH2 ARG A 141 46.209 33.347 43.589 1.00 9.70 N +ATOM 1281 H ARG A 141 44.925 34.410 37.399 1.00 0.00 H +ATOM 1282 HE ARG A 141 44.515 33.754 41.884 1.00 0.00 H +ATOM 1283 HH11 ARG A 141 46.604 36.417 42.760 1.00 0.00 H +ATOM 1284 HH12 ARG A 141 47.461 35.484 43.939 1.00 0.00 H +ATOM 1285 HH21 ARG A 141 45.639 32.554 43.385 1.00 0.00 H +ATOM 1286 HH22 ARG A 141 46.906 33.294 44.303 1.00 0.00 H +ATOM 1287 N GLY A 142 43.813 37.007 35.754 1.00 11.40 N +ATOM 1288 CA GLY A 142 43.550 37.946 34.669 1.00 12.62 C +ATOM 1289 C GLY A 142 42.444 37.460 33.719 1.00 14.43 C +ATOM 1290 O GLY A 142 41.568 38.241 33.321 1.00 14.92 O +ATOM 1291 H GLY A 142 44.701 36.595 35.836 1.00 0.00 H +ATOM 1292 N GLU A 143 42.479 36.156 33.365 1.00 15.30 N +ATOM 1293 CA GLU A 143 41.455 35.543 32.495 1.00 16.25 C +ATOM 1294 C GLU A 143 40.089 35.619 33.141 1.00 15.34 C +ATOM 1295 O GLU A 143 39.086 35.962 32.499 1.00 15.78 O +ATOM 1296 CB GLU A 143 41.749 34.069 32.279 1.00 21.57 C +ATOM 1297 CG GLU A 143 42.623 33.714 31.095 1.00 33.03 C +ATOM 1298 CD GLU A 143 42.834 32.198 31.005 1.00 39.40 C +ATOM 1299 OE1 GLU A 143 41.879 31.427 31.355 1.00 40.29 O +ATOM 1300 OE2 GLU A 143 43.955 31.773 30.602 1.00 42.21 O +ATOM 1301 H GLU A 143 43.211 35.597 33.698 1.00 0.00 H +ATOM 1302 N GLY A 144 40.045 35.241 34.403 1.00 15.10 N +ATOM 1303 CA GLY A 144 38.798 35.294 35.138 1.00 17.30 C +ATOM 1304 C GLY A 144 38.254 36.707 35.212 1.00 16.59 C +ATOM 1305 O GLY A 144 37.055 36.951 34.986 1.00 15.20 O +ATOM 1306 H GLY A 144 40.861 34.918 34.846 1.00 0.00 H +ATOM 1307 N PHE A 145 39.130 37.654 35.508 1.00 16.01 N +ATOM 1308 CA PHE A 145 38.709 39.037 35.593 1.00 15.82 C +ATOM 1309 C PHE A 145 38.190 39.519 34.245 1.00 15.20 C +ATOM 1310 O PHE A 145 37.199 40.238 34.198 1.00 16.07 O +ATOM 1311 CB PHE A 145 39.846 39.929 36.068 1.00 15.52 C +ATOM 1312 CG PHE A 145 39.400 41.345 36.354 1.00 15.15 C +ATOM 1313 CD1 PHE A 145 38.563 41.619 37.432 1.00 14.77 C +ATOM 1314 CD2 PHE A 145 39.840 42.396 35.550 1.00 16.06 C +ATOM 1315 CE1 PHE A 145 38.166 42.923 37.694 1.00 16.93 C +ATOM 1316 CE2 PHE A 145 39.442 43.701 35.810 1.00 14.74 C +ATOM 1317 CZ PHE A 145 38.614 43.965 36.885 1.00 16.54 C +ATOM 1318 H PHE A 145 40.066 37.419 35.677 1.00 0.00 H +ATOM 1319 N GLN A 146 38.832 39.091 33.159 1.00 14.74 N +ATOM 1320 CA GLN A 146 38.384 39.469 31.826 1.00 16.42 C +ATOM 1321 C GLN A 146 36.967 38.987 31.525 1.00 19.22 C +ATOM 1322 O GLN A 146 36.230 39.627 30.777 1.00 18.35 O +ATOM 1323 CB GLN A 146 39.351 38.964 30.769 1.00 17.56 C +ATOM 1324 CG GLN A 146 40.575 39.846 30.650 1.00 25.69 C +ATOM 1325 CD GLN A 146 40.197 41.296 30.346 1.00 31.84 C +ATOM 1326 OE1 GLN A 146 39.537 41.572 29.344 1.00 33.27 O +ATOM 1327 NE2 GLN A 146 40.583 42.222 31.221 1.00 31.89 N +ATOM 1328 H GLN A 146 39.621 38.523 33.260 1.00 0.00 H +ATOM 1329 HE21 GLN A 146 40.394 43.160 31.015 1.00 0.00 H +ATOM 1330 HE22 GLN A 146 41.044 41.931 32.037 1.00 0.00 H +ATOM 1331 N GLN A 147 36.569 37.863 32.107 1.00 19.42 N +ATOM 1332 CA GLN A 147 35.207 37.380 31.915 1.00 20.07 C +ATOM 1333 C GLN A 147 34.219 38.369 32.533 1.00 19.62 C +ATOM 1334 O GLN A 147 33.195 38.713 31.922 1.00 18.31 O +ATOM 1335 CB GLN A 147 35.039 35.985 32.538 1.00 20.62 C +ATOM 1336 CG GLN A 147 35.916 34.911 31.899 1.00 23.71 C +ATOM 1337 CD GLN A 147 35.588 33.510 32.386 1.00 23.93 C +ATOM 1338 OE1 GLN A 147 34.692 33.326 33.200 1.00 25.60 O +ATOM 1339 NE2 GLN A 147 36.317 32.522 31.890 1.00 25.09 N +ATOM 1340 H GLN A 147 37.194 37.354 32.667 1.00 0.00 H +ATOM 1341 HE21 GLN A 147 36.095 31.603 32.148 1.00 0.00 H +ATOM 1342 HE22 GLN A 147 37.051 32.746 31.280 1.00 0.00 H +ATOM 1343 N ALA A 148 34.528 38.820 33.750 1.00 18.18 N +ATOM 1344 CA ALA A 148 33.704 39.823 34.420 1.00 19.09 C +ATOM 1345 C ALA A 148 33.693 41.164 33.626 1.00 20.14 C +ATOM 1346 O ALA A 148 32.662 41.841 33.552 1.00 18.07 O +ATOM 1347 CB ALA A 148 34.227 40.043 35.828 1.00 18.99 C +ATOM 1348 H ALA A 148 35.320 38.463 34.210 1.00 0.00 H +ATOM 1349 N VAL A 149 34.848 41.528 33.040 1.00 18.60 N +ATOM 1350 CA VAL A 149 34.960 42.733 32.225 1.00 19.90 C +ATOM 1351 C VAL A 149 33.926 42.707 31.099 1.00 22.76 C +ATOM 1352 O VAL A 149 33.085 43.603 31.016 1.00 23.28 O +ATOM 1353 CB VAL A 149 36.391 42.875 31.637 1.00 19.00 C +ATOM 1354 CG1 VAL A 149 36.458 43.999 30.621 1.00 16.81 C +ATOM 1355 CG2 VAL A 149 37.379 43.141 32.766 1.00 18.22 C +ATOM 1356 H VAL A 149 35.642 40.970 33.171 1.00 0.00 H +ATOM 1357 N ALA A 150 33.956 41.661 30.270 1.00 22.51 N +ATOM 1358 CA ALA A 150 33.001 41.526 29.158 1.00 22.86 C +ATOM 1359 C ALA A 150 31.561 41.429 29.659 1.00 23.53 C +ATOM 1360 O ALA A 150 30.646 42.035 29.103 1.00 25.08 O +ATOM 1361 CB ALA A 150 33.339 40.290 28.334 1.00 23.49 C +ATOM 1362 H ALA A 150 34.640 40.968 30.397 1.00 0.00 H +ATOM 1363 N ALA A 151 31.370 40.693 30.726 1.00 23.19 N +ATOM 1364 CA ALA A 151 30.047 40.492 31.266 1.00 24.30 C +ATOM 1365 C ALA A 151 29.426 41.784 31.811 1.00 25.56 C +ATOM 1366 O ALA A 151 28.219 42.053 31.614 1.00 25.23 O +ATOM 1367 CB ALA A 151 30.107 39.428 32.360 1.00 23.36 C +ATOM 1368 H ALA A 151 32.138 40.268 31.162 1.00 0.00 H +ATOM 1369 N HIS A 152 30.238 42.588 32.483 1.00 22.83 N +ATOM 1370 CA HIS A 152 29.730 43.769 33.134 1.00 20.69 C +ATOM 1371 C HIS A 152 30.105 45.049 32.412 1.00 19.48 C +ATOM 1372 O HIS A 152 29.901 46.137 32.941 1.00 20.19 O +ATOM 1373 CB HIS A 152 30.212 43.799 34.586 1.00 22.28 C +ATOM 1374 CG HIS A 152 29.740 42.625 35.383 1.00 24.57 C +ATOM 1375 ND1 HIS A 152 28.421 42.444 35.731 1.00 24.05 N +ATOM 1376 CD2 HIS A 152 30.394 41.531 35.888 1.00 24.55 C +ATOM 1377 CE1 HIS A 152 28.246 41.321 36.403 1.00 25.03 C +ATOM 1378 NE2 HIS A 152 29.432 40.765 36.502 1.00 24.42 N +ATOM 1379 H HIS A 152 31.198 42.386 32.526 1.00 0.00 H +ATOM 1380 HD1 HIS A 152 27.705 43.068 35.515 1.00 0.00 H +ATOM 1381 HE2 HIS A 152 29.602 39.918 36.951 1.00 0.00 H +ATOM 1382 N LYS A 153 30.647 44.913 31.215 1.00 19.63 N +ATOM 1383 CA LYS A 153 30.998 46.076 30.396 1.00 24.08 C +ATOM 1384 C LYS A 153 31.914 47.076 31.127 1.00 23.34 C +ATOM 1385 O LYS A 153 31.761 48.286 30.987 1.00 22.03 O +ATOM 1386 CB LYS A 153 29.712 46.782 29.918 1.00 26.72 C +ATOM 1387 CG LYS A 153 28.867 45.937 28.982 1.00 33.27 C +ATOM 1388 CD LYS A 153 29.660 45.570 27.733 1.00 41.89 C +ATOM 1389 CE LYS A 153 29.123 44.302 27.069 1.00 47.82 C +ATOM 1390 NZ LYS A 153 29.954 43.880 25.891 1.00 52.01 N +ATOM 1391 H LYS A 153 30.815 44.016 30.867 1.00 0.00 H +ATOM 1392 HZ1 LYS A 153 29.961 44.639 25.183 1.00 0.00 H +ATOM 1393 HZ2 LYS A 153 30.927 43.689 26.203 1.00 0.00 H +ATOM 1394 HZ3 LYS A 153 29.549 43.016 25.470 1.00 0.00 H +ATOM 1395 N PHE A 154 32.870 46.565 31.901 1.00 21.76 N +ATOM 1396 CA PHE A 154 33.778 47.439 32.625 1.00 21.08 C +ATOM 1397 C PHE A 154 34.650 48.226 31.667 1.00 20.04 C +ATOM 1398 O PHE A 154 34.968 47.769 30.570 1.00 20.67 O +ATOM 1399 CB PHE A 154 34.700 46.643 33.568 1.00 20.94 C +ATOM 1400 CG PHE A 154 34.041 46.065 34.792 1.00 22.21 C +ATOM 1401 CD1 PHE A 154 32.890 46.652 35.337 1.00 22.70 C +ATOM 1402 CD2 PHE A 154 34.590 44.937 35.422 1.00 21.98 C +ATOM 1403 CE1 PHE A 154 32.301 46.127 36.485 1.00 23.39 C +ATOM 1404 CE2 PHE A 154 34.002 44.409 36.570 1.00 21.56 C +ATOM 1405 CZ PHE A 154 32.858 45.004 37.102 1.00 23.22 C +ATOM 1406 H PHE A 154 32.970 45.593 31.970 1.00 0.00 H +ATOM 1407 N ASN A 155 35.009 49.419 32.083 1.00 20.11 N +ATOM 1408 CA ASN A 155 35.941 50.216 31.341 1.00 20.13 C +ATOM 1409 C ASN A 155 37.278 50.116 32.063 1.00 18.56 C +ATOM 1410 O ASN A 155 37.461 50.684 33.127 1.00 17.77 O +ATOM 1411 CB ASN A 155 35.461 51.662 31.286 1.00 22.85 C +ATOM 1412 CG ASN A 155 36.364 52.602 30.501 1.00 27.07 C +ATOM 1413 OD1 ASN A 155 36.163 53.811 30.530 1.00 33.53 O +ATOM 1414 ND2 ASN A 155 37.349 52.074 29.784 1.00 28.14 N +ATOM 1415 H ASN A 155 34.632 49.773 32.915 1.00 0.00 H +ATOM 1416 HD21 ASN A 155 37.943 52.681 29.298 1.00 0.00 H +ATOM 1417 HD22 ASN A 155 37.444 51.106 29.764 1.00 0.00 H +ATOM 1418 N VAL A 156 38.191 49.345 31.513 1.00 18.65 N +ATOM 1419 CA VAL A 156 39.470 49.162 32.166 1.00 18.85 C +ATOM 1420 C VAL A 156 40.382 50.321 31.803 1.00 18.29 C +ATOM 1421 O VAL A 156 40.804 50.420 30.660 1.00 19.76 O +ATOM 1422 CB VAL A 156 40.132 47.806 31.768 1.00 19.33 C +ATOM 1423 CG1 VAL A 156 41.426 47.623 32.550 1.00 19.50 C +ATOM 1424 CG2 VAL A 156 39.178 46.641 32.042 1.00 16.73 C +ATOM 1425 H VAL A 156 38.009 48.897 30.658 1.00 0.00 H +ATOM 1426 N LEU A 157 40.643 51.208 32.771 1.00 17.17 N +ATOM 1427 CA LEU A 157 41.506 52.386 32.542 1.00 16.87 C +ATOM 1428 C LEU A 157 42.973 51.982 32.385 1.00 16.64 C +ATOM 1429 O LEU A 157 43.738 52.602 31.625 1.00 18.38 O +ATOM 1430 CB LEU A 157 41.380 53.391 33.706 1.00 16.47 C +ATOM 1431 CG LEU A 157 39.977 53.907 34.041 1.00 15.84 C +ATOM 1432 CD1 LEU A 157 40.062 54.945 35.136 1.00 15.75 C +ATOM 1433 CD2 LEU A 157 39.313 54.494 32.808 1.00 17.62 C +ATOM 1434 H LEU A 157 40.249 51.071 33.657 1.00 0.00 H +ATOM 1435 N ALA A 158 43.374 50.958 33.118 1.00 14.90 N +ATOM 1436 CA ALA A 158 44.738 50.498 33.065 1.00 14.20 C +ATOM 1437 C ALA A 158 44.875 49.168 33.748 1.00 15.64 C +ATOM 1438 O ALA A 158 44.152 48.865 34.706 1.00 14.70 O +ATOM 1439 CB ALA A 158 45.655 51.503 33.739 1.00 15.73 C +ATOM 1440 H ALA A 158 42.736 50.503 33.705 1.00 0.00 H +ATOM 1441 N SER A 159 45.796 48.377 33.218 1.00 17.02 N +ATOM 1442 CA SER A 159 46.157 47.084 33.783 1.00 17.03 C +ATOM 1443 C SER A 159 47.697 46.978 33.747 1.00 18.24 C +ATOM 1444 O SER A 159 48.315 47.188 32.705 1.00 20.51 O +ATOM 1445 CB SER A 159 45.495 45.969 32.960 1.00 18.48 C +ATOM 1446 OG SER A 159 45.635 44.703 33.585 1.00 25.07 O +ATOM 1447 H SER A 159 46.250 48.672 32.403 1.00 0.00 H +ATOM 1448 HG SER A 159 45.421 44.778 34.519 1.00 0.00 H +ATOM 1449 N GLN A 160 48.310 46.685 34.874 1.00 15.61 N +ATOM 1450 CA GLN A 160 49.751 46.679 34.938 1.00 15.95 C +ATOM 1451 C GLN A 160 50.220 45.797 36.083 1.00 14.11 C +ATOM 1452 O GLN A 160 49.580 45.745 37.120 1.00 13.63 O +ATOM 1453 CB GLN A 160 50.219 48.132 35.151 1.00 18.24 C +ATOM 1454 CG GLN A 160 51.716 48.323 35.057 1.00 23.03 C +ATOM 1455 CD GLN A 160 52.163 49.769 35.183 1.00 25.79 C +ATOM 1456 OE1 GLN A 160 53.238 50.043 35.719 1.00 27.67 O +ATOM 1457 NE2 GLN A 160 51.361 50.695 34.681 1.00 24.91 N +ATOM 1458 H GLN A 160 47.785 46.469 35.673 1.00 0.00 H +ATOM 1459 HE21 GLN A 160 51.620 51.635 34.781 1.00 0.00 H +ATOM 1460 HE22 GLN A 160 50.534 50.409 34.238 1.00 0.00 H +ATOM 1461 N PRO A 161 51.333 45.069 35.927 1.00 14.23 N +ATOM 1462 CA PRO A 161 51.837 44.211 36.989 1.00 15.04 C +ATOM 1463 C PRO A 161 52.486 45.003 38.126 1.00 13.01 C +ATOM 1464 O PRO A 161 53.125 46.014 37.894 1.00 14.64 O +ATOM 1465 CB PRO A 161 52.865 43.305 36.285 1.00 15.35 C +ATOM 1466 CG PRO A 161 52.634 43.531 34.831 1.00 18.88 C +ATOM 1467 CD PRO A 161 52.159 44.950 34.722 1.00 16.41 C +ATOM 1468 N ALA A 162 52.280 44.554 39.348 1.00 12.91 N +ATOM 1469 CA ALA A 162 52.995 45.096 40.494 1.00 11.08 C +ATOM 1470 C ALA A 162 53.605 43.924 41.303 1.00 10.35 C +ATOM 1471 O ALA A 162 53.855 44.018 42.519 1.00 10.72 O +ATOM 1472 CB ALA A 162 52.102 45.988 41.350 1.00 11.28 C +ATOM 1473 H ALA A 162 51.618 43.846 39.488 1.00 0.00 H +ATOM 1474 N ASP A 163 53.752 42.783 40.594 1.00 10.20 N +ATOM 1475 CA ASP A 163 54.544 41.630 41.061 1.00 10.77 C +ATOM 1476 C ASP A 163 54.207 41.071 42.433 1.00 10.47 C +ATOM 1477 O ASP A 163 55.122 40.623 43.139 1.00 10.32 O +ATOM 1478 CB ASP A 163 56.045 41.984 41.010 1.00 12.15 C +ATOM 1479 CG ASP A 163 56.491 42.393 39.627 1.00 15.65 C +ATOM 1480 OD1 ASP A 163 55.760 42.148 38.651 1.00 19.08 O +ATOM 1481 OD2 ASP A 163 57.572 42.970 39.512 1.00 23.59 O +ATOM 1482 H ASP A 163 53.307 42.718 39.727 1.00 0.00 H +ATOM 1483 N PHE A 164 52.901 41.069 42.781 1.00 9.80 N +ATOM 1484 CA PHE A 164 52.414 40.513 44.056 1.00 9.65 C +ATOM 1485 C PHE A 164 53.106 41.142 45.266 1.00 9.18 C +ATOM 1486 O PHE A 164 53.096 40.547 46.351 1.00 11.42 O +ATOM 1487 CB PHE A 164 52.633 38.973 44.087 1.00 10.14 C +ATOM 1488 CG PHE A 164 51.750 38.173 43.173 1.00 9.02 C +ATOM 1489 CD1 PHE A 164 50.380 38.435 43.098 1.00 10.37 C +ATOM 1490 CD2 PHE A 164 52.268 37.111 42.436 1.00 9.31 C +ATOM 1491 CE1 PHE A 164 49.549 37.645 42.309 1.00 10.73 C +ATOM 1492 CE2 PHE A 164 51.449 36.314 41.647 1.00 9.55 C +ATOM 1493 CZ PHE A 164 50.087 36.576 41.583 1.00 10.26 C +ATOM 1494 H PHE A 164 52.250 41.467 42.164 1.00 0.00 H +ATOM 1495 N ASP A 165 53.661 42.357 45.078 1.00 11.31 N +ATOM 1496 CA ASP A 165 54.459 43.009 46.106 1.00 11.37 C +ATOM 1497 C ASP A 165 53.770 44.261 46.648 1.00 12.29 C +ATOM 1498 O ASP A 165 53.221 45.044 45.884 1.00 12.31 O +ATOM 1499 CB ASP A 165 55.814 43.376 45.503 1.00 12.35 C +ATOM 1500 CG ASP A 165 56.721 44.026 46.514 1.00 16.98 C +ATOM 1501 OD1 ASP A 165 57.290 43.301 47.335 1.00 19.12 O +ATOM 1502 OD2 ASP A 165 56.849 45.266 46.498 1.00 16.78 O +ATOM 1503 H ASP A 165 53.515 42.819 44.229 1.00 0.00 H +ATOM 1504 N ARG A 166 53.852 44.479 47.955 1.00 10.90 N +ATOM 1505 CA ARG A 166 53.172 45.622 48.574 1.00 12.35 C +ATOM 1506 C ARG A 166 53.748 46.982 48.149 1.00 12.99 C +ATOM 1507 O ARG A 166 52.996 47.910 47.838 1.00 12.69 O +ATOM 1508 CB ARG A 166 53.194 45.512 50.096 1.00 11.18 C +ATOM 1509 CG ARG A 166 52.254 46.499 50.758 1.00 13.21 C +ATOM 1510 CD ARG A 166 52.320 46.428 52.263 1.00 14.78 C +ATOM 1511 NE ARG A 166 51.923 45.129 52.777 1.00 17.63 N +ATOM 1512 CZ ARG A 166 51.348 44.972 53.967 1.00 21.69 C +ATOM 1513 NH1 ARG A 166 51.063 46.036 54.723 1.00 24.15 N +ATOM 1514 NH2 ARG A 166 51.034 43.753 54.402 1.00 23.25 N +ATOM 1515 H ARG A 166 54.375 43.865 48.514 1.00 0.00 H +ATOM 1516 HE ARG A 166 52.086 44.336 52.227 1.00 0.00 H +ATOM 1517 HH11 ARG A 166 51.284 46.954 54.397 1.00 0.00 H +ATOM 1518 HH12 ARG A 166 50.628 45.913 55.614 1.00 0.00 H +ATOM 1519 HH21 ARG A 166 51.245 42.954 53.843 1.00 0.00 H +ATOM 1520 HH22 ARG A 166 50.600 43.638 55.295 1.00 0.00 H +ATOM 1521 N ILE A 167 55.081 47.101 48.138 1.00 14.92 N +ATOM 1522 CA ILE A 167 55.726 48.373 47.771 1.00 14.59 C +ATOM 1523 C ILE A 167 55.542 48.706 46.305 1.00 13.64 C +ATOM 1524 O ILE A 167 55.293 49.862 45.959 1.00 13.16 O +ATOM 1525 CB ILE A 167 57.228 48.355 48.094 1.00 15.61 C +ATOM 1526 CG1 ILE A 167 57.422 48.108 49.592 1.00 17.12 C +ATOM 1527 CG2 ILE A 167 57.876 49.666 47.661 1.00 16.75 C +ATOM 1528 CD1 ILE A 167 56.594 49.003 50.479 1.00 22.62 C +ATOM 1529 H ILE A 167 55.635 46.332 48.394 1.00 0.00 H +ATOM 1530 N LYS A 168 55.676 47.702 45.440 1.00 13.54 N +ATOM 1531 CA LYS A 168 55.465 47.924 44.025 1.00 14.92 C +ATOM 1532 C LYS A 168 54.015 48.291 43.789 1.00 13.85 C +ATOM 1533 O LYS A 168 53.730 49.162 42.984 1.00 13.34 O +ATOM 1534 CB LYS A 168 55.835 46.691 43.198 1.00 18.98 C +ATOM 1535 CG LYS A 168 57.315 46.355 43.220 1.00 29.10 C +ATOM 1536 CD LYS A 168 57.640 45.223 42.258 1.00 32.86 C +ATOM 1537 CE LYS A 168 59.009 44.625 42.555 1.00 36.90 C +ATOM 1538 NZ LYS A 168 59.339 43.488 41.636 1.00 39.16 N +ATOM 1539 H LYS A 168 55.904 46.812 45.761 1.00 0.00 H +ATOM 1540 HZ1 LYS A 168 58.554 42.805 41.637 1.00 0.00 H +ATOM 1541 HZ2 LYS A 168 59.483 43.849 40.671 1.00 0.00 H +ATOM 1542 HZ3 LYS A 168 60.208 43.015 41.962 1.00 0.00 H +ATOM 1543 N GLY A 169 53.112 47.615 44.520 1.00 13.33 N +ATOM 1544 CA GLY A 169 51.685 47.931 44.450 1.00 12.68 C +ATOM 1545 C GLY A 169 51.408 49.399 44.790 1.00 12.23 C +ATOM 1546 O GLY A 169 50.654 50.063 44.087 1.00 13.04 O +ATOM 1547 H GLY A 169 53.416 46.894 45.111 1.00 0.00 H +ATOM 1548 N LEU A 170 52.029 49.897 45.865 1.00 12.82 N +ATOM 1549 CA LEU A 170 51.897 51.306 46.238 1.00 13.19 C +ATOM 1550 C LEU A 170 52.383 52.235 45.102 1.00 14.49 C +ATOM 1551 O LEU A 170 51.672 53.142 44.678 1.00 14.20 O +ATOM 1552 CB LEU A 170 52.696 51.570 47.522 1.00 15.70 C +ATOM 1553 CG LEU A 170 52.949 53.037 47.919 1.00 18.91 C +ATOM 1554 CD1 LEU A 170 51.649 53.781 48.088 1.00 23.72 C +ATOM 1555 CD2 LEU A 170 53.731 53.086 49.211 1.00 23.39 C +ATOM 1556 H LEU A 170 52.580 49.303 46.418 1.00 0.00 H +ATOM 1557 N ASN A 171 53.582 51.983 44.587 1.00 15.35 N +ATOM 1558 CA ASN A 171 54.151 52.841 43.556 1.00 15.51 C +ATOM 1559 C ASN A 171 53.396 52.794 42.237 1.00 14.99 C +ATOM 1560 O ASN A 171 53.156 53.837 41.615 1.00 13.72 O +ATOM 1561 CB ASN A 171 55.627 52.525 43.367 1.00 19.16 C +ATOM 1562 CG ASN A 171 56.405 53.014 44.578 1.00 26.01 C +ATOM 1563 OD1 ASN A 171 56.316 54.191 44.962 1.00 33.20 O +ATOM 1564 ND2 ASN A 171 57.139 52.127 45.216 1.00 28.17 N +ATOM 1565 H ASN A 171 54.093 51.210 44.912 1.00 0.00 H +ATOM 1566 HD21 ASN A 171 57.680 52.437 45.968 1.00 0.00 H +ATOM 1567 HD22 ASN A 171 57.121 51.195 44.910 1.00 0.00 H +ATOM 1568 N VAL A 172 52.995 51.615 41.812 1.00 12.55 N +ATOM 1569 CA VAL A 172 52.249 51.506 40.568 1.00 13.76 C +ATOM 1570 C VAL A 172 50.907 52.218 40.680 1.00 12.35 C +ATOM 1571 O VAL A 172 50.496 52.938 39.759 1.00 13.86 O +ATOM 1572 CB VAL A 172 52.036 50.031 40.179 1.00 13.86 C +ATOM 1573 CG1 VAL A 172 51.078 49.918 39.002 1.00 14.84 C +ATOM 1574 CG2 VAL A 172 53.378 49.434 39.796 1.00 14.79 C +ATOM 1575 H VAL A 172 53.200 50.814 42.336 1.00 0.00 H +ATOM 1576 N MET A 173 50.230 52.034 41.803 1.00 11.60 N +ATOM 1577 CA MET A 173 48.940 52.699 42.008 1.00 13.16 C +ATOM 1578 C MET A 173 49.109 54.239 42.068 1.00 15.06 C +ATOM 1579 O MET A 173 48.288 54.990 41.515 1.00 14.89 O +ATOM 1580 CB MET A 173 48.271 52.219 43.292 1.00 13.13 C +ATOM 1581 CG MET A 173 46.857 52.755 43.473 1.00 17.06 C +ATOM 1582 SD MET A 173 45.660 51.889 42.433 1.00 19.14 S +ATOM 1583 CE MET A 173 45.337 53.052 41.124 1.00 24.59 C +ATOM 1584 H MET A 173 50.591 51.443 42.497 1.00 0.00 H +ATOM 1585 N GLN A 174 50.167 54.701 42.742 1.00 15.42 N +ATOM 1586 CA GLN A 174 50.409 56.132 42.851 1.00 18.26 C +ATOM 1587 C GLN A 174 50.557 56.745 41.453 1.00 20.02 C +ATOM 1588 O GLN A 174 49.952 57.793 41.146 1.00 19.65 O +ATOM 1589 CB GLN A 174 51.669 56.401 43.670 1.00 21.79 C +ATOM 1590 CG GLN A 174 51.674 57.773 44.342 1.00 31.11 C +ATOM 1591 CD GLN A 174 50.869 57.800 45.660 1.00 36.43 C +ATOM 1592 OE1 GLN A 174 51.394 57.411 46.728 1.00 39.26 O +ATOM 1593 NE2 GLN A 174 49.597 58.252 45.600 1.00 32.12 N +ATOM 1594 H GLN A 174 50.785 54.066 43.170 1.00 0.00 H +ATOM 1595 HE21 GLN A 174 49.058 58.237 46.417 1.00 0.00 H +ATOM 1596 HE22 GLN A 174 49.260 58.572 44.734 1.00 0.00 H +ATOM 1597 N ASN A 175 51.339 56.074 40.595 1.00 19.12 N +ATOM 1598 CA ASN A 175 51.537 56.551 39.227 1.00 20.42 C +ATOM 1599 C ASN A 175 50.271 56.487 38.407 1.00 20.31 C +ATOM 1600 O ASN A 175 49.944 57.437 37.699 1.00 22.67 O +ATOM 1601 CB ASN A 175 52.661 55.783 38.536 1.00 23.80 C +ATOM 1602 CG ASN A 175 53.987 56.101 39.189 1.00 28.12 C +ATOM 1603 OD1 ASN A 175 54.294 57.257 39.438 1.00 35.34 O +ATOM 1604 ND2 ASN A 175 54.773 55.091 39.491 1.00 33.24 N +ATOM 1605 H ASN A 175 51.796 55.261 40.893 1.00 0.00 H +ATOM 1606 HD21 ASN A 175 55.626 55.285 39.937 1.00 0.00 H +ATOM 1607 HD22 ASN A 175 54.479 54.186 39.261 1.00 0.00 H +ATOM 1608 N LEU A 176 49.523 55.405 38.521 1.00 19.11 N +ATOM 1609 CA LEU A 176 48.296 55.284 37.750 1.00 19.15 C +ATOM 1610 C LEU A 176 47.246 56.292 38.179 1.00 19.53 C +ATOM 1611 O LEU A 176 46.480 56.760 37.345 1.00 19.54 O +ATOM 1612 CB LEU A 176 47.732 53.858 37.829 1.00 19.31 C +ATOM 1613 CG LEU A 176 48.581 52.782 37.139 1.00 18.62 C +ATOM 1614 CD1 LEU A 176 47.867 51.443 37.176 1.00 20.19 C +ATOM 1615 CD2 LEU A 176 48.879 53.193 35.705 1.00 20.34 C +ATOM 1616 H LEU A 176 49.801 54.677 39.118 1.00 0.00 H +ATOM 1617 N LEU A 177 47.226 56.624 39.466 1.00 19.42 N +ATOM 1618 CA LEU A 177 46.270 57.596 39.988 1.00 22.34 C +ATOM 1619 C LEU A 177 46.417 58.967 39.345 1.00 23.34 C +ATOM 1620 O LEU A 177 45.411 59.633 39.057 1.00 23.43 O +ATOM 1621 CB LEU A 177 46.424 57.759 41.496 1.00 22.45 C +ATOM 1622 CG LEU A 177 45.569 56.841 42.352 1.00 27.29 C +ATOM 1623 CD1 LEU A 177 45.927 57.024 43.823 1.00 28.30 C +ATOM 1624 CD2 LEU A 177 44.088 57.132 42.106 1.00 27.21 C +ATOM 1625 H LEU A 177 47.865 56.208 40.076 1.00 0.00 H +ATOM 1626 N THR A 178 47.663 59.399 39.129 1.00 22.80 N +ATOM 1627 CA THR A 178 47.890 60.717 38.553 1.00 22.56 C +ATOM 1628 C THR A 178 47.349 60.800 37.129 1.00 20.89 C +ATOM 1629 O THR A 178 46.874 61.855 36.708 1.00 22.18 O +ATOM 1630 CB THR A 178 49.389 61.129 38.561 1.00 23.39 C +ATOM 1631 OG1 THR A 178 50.108 60.405 37.568 1.00 29.05 O +ATOM 1632 CG2 THR A 178 50.017 60.851 39.916 1.00 23.71 C +ATOM 1633 H THR A 178 48.426 58.825 39.355 1.00 0.00 H +ATOM 1634 HG1 THR A 178 50.209 59.489 37.843 1.00 0.00 H +ATOM 1635 N ALA A 179 47.387 59.688 36.399 1.00 17.68 N +ATOM 1636 CA ALA A 179 46.923 59.696 35.023 1.00 18.71 C +ATOM 1637 C ALA A 179 45.448 59.289 34.882 1.00 17.78 C +ATOM 1638 O ALA A 179 44.829 59.537 33.848 1.00 17.48 O +ATOM 1639 CB ALA A 179 47.793 58.773 34.182 1.00 18.22 C +ATOM 1640 H ALA A 179 47.732 58.859 36.790 1.00 0.00 H +ATOM 1641 N HIS A 180 44.895 58.660 35.920 1.00 15.70 N +ATOM 1642 CA HIS A 180 43.523 58.145 35.873 1.00 16.85 C +ATOM 1643 C HIS A 180 42.788 58.462 37.181 1.00 18.30 C +ATOM 1644 O HIS A 180 42.371 57.560 37.905 1.00 18.42 O +ATOM 1645 CB HIS A 180 43.550 56.615 35.678 1.00 18.13 C +ATOM 1646 CG HIS A 180 44.324 56.156 34.482 1.00 17.29 C +ATOM 1647 ND1 HIS A 180 43.842 56.254 33.198 1.00 18.46 N +ATOM 1648 CD2 HIS A 180 45.572 55.607 34.360 1.00 19.46 C +ATOM 1649 CE1 HIS A 180 44.719 55.803 32.320 1.00 20.23 C +ATOM 1650 NE2 HIS A 180 45.767 55.413 33.020 1.00 21.35 N +ATOM 1651 H HIS A 180 45.420 58.538 36.738 1.00 0.00 H +ATOM 1652 HD1 HIS A 180 42.966 56.629 32.963 1.00 0.00 H +ATOM 1653 HE2 HIS A 180 46.588 55.075 32.627 1.00 0.00 H +ATOM 1654 N PRO A 181 42.569 59.753 37.481 1.00 19.69 N +ATOM 1655 CA PRO A 181 41.896 60.176 38.719 1.00 20.60 C +ATOM 1656 C PRO A 181 40.413 59.752 38.803 1.00 20.80 C +ATOM 1657 O PRO A 181 39.795 59.797 39.872 1.00 22.77 O +ATOM 1658 CB PRO A 181 42.083 61.697 38.696 1.00 20.60 C +ATOM 1659 CG PRO A 181 42.122 62.012 37.244 1.00 20.00 C +ATOM 1660 CD PRO A 181 42.943 60.915 36.640 1.00 18.79 C +ATOM 1661 N ASP A 182 39.854 59.326 37.682 1.00 20.56 N +ATOM 1662 CA ASP A 182 38.437 58.937 37.632 1.00 20.88 C +ATOM 1663 C ASP A 182 38.195 57.448 37.956 1.00 21.10 C +ATOM 1664 O ASP A 182 37.070 56.963 37.818 1.00 20.40 O +ATOM 1665 CB ASP A 182 37.840 59.282 36.257 1.00 21.48 C +ATOM 1666 CG ASP A 182 38.614 58.700 35.085 1.00 24.42 C +ATOM 1667 OD1 ASP A 182 39.827 58.421 35.224 1.00 25.95 O +ATOM 1668 OD2 ASP A 182 38.011 58.536 34.008 1.00 28.03 O +ATOM 1669 H ASP A 182 40.399 59.269 36.875 1.00 0.00 H +ATOM 1670 N VAL A 183 39.236 56.723 38.385 1.00 17.98 N +ATOM 1671 CA VAL A 183 39.062 55.313 38.722 1.00 17.92 C +ATOM 1672 C VAL A 183 38.013 55.105 39.848 1.00 17.59 C +ATOM 1673 O VAL A 183 38.009 55.801 40.874 1.00 17.45 O +ATOM 1674 CB VAL A 183 40.410 54.672 39.140 1.00 16.88 C +ATOM 1675 CG1 VAL A 183 40.943 55.325 40.414 1.00 17.11 C +ATOM 1676 CG2 VAL A 183 40.223 53.171 39.336 1.00 15.85 C +ATOM 1677 H VAL A 183 40.115 57.140 38.478 1.00 0.00 H +ATOM 1678 N GLN A 184 37.135 54.118 39.659 1.00 17.51 N +ATOM 1679 CA GLN A 184 36.084 53.812 40.653 1.00 17.97 C +ATOM 1680 C GLN A 184 36.405 52.565 41.486 1.00 16.16 C +ATOM 1681 O GLN A 184 36.041 52.466 42.661 1.00 15.27 O +ATOM 1682 CB GLN A 184 34.742 53.600 39.935 1.00 15.83 C +ATOM 1683 CG GLN A 184 34.211 54.855 39.265 1.00 17.35 C +ATOM 1684 CD GLN A 184 33.003 54.595 38.406 1.00 19.74 C +ATOM 1685 OE1 GLN A 184 33.125 54.167 37.266 1.00 21.08 O +ATOM 1686 NE2 GLN A 184 31.822 54.860 38.945 1.00 26.41 N +ATOM 1687 H GLN A 184 37.182 53.587 38.840 1.00 0.00 H +ATOM 1688 HE21 GLN A 184 31.019 54.712 38.402 1.00 0.00 H +ATOM 1689 HE22 GLN A 184 31.793 55.195 39.866 1.00 0.00 H +ATOM 1690 N ALA A 185 37.085 51.621 40.868 1.00 15.40 N +ATOM 1691 CA ALA A 185 37.389 50.363 41.535 1.00 14.48 C +ATOM 1692 C ALA A 185 38.739 49.793 41.080 1.00 12.38 C +ATOM 1693 O ALA A 185 39.164 50.014 39.941 1.00 12.24 O +ATOM 1694 CB ALA A 185 36.280 49.367 41.239 1.00 11.47 C +ATOM 1695 H ALA A 185 37.382 51.763 39.942 1.00 0.00 H +ATOM 1696 N VAL A 186 39.386 49.076 41.993 1.00 11.82 N +ATOM 1697 CA VAL A 186 40.662 48.426 41.721 1.00 12.73 C +ATOM 1698 C VAL A 186 40.592 46.953 42.111 1.00 11.80 C +ATOM 1699 O VAL A 186 40.173 46.621 43.230 1.00 13.89 O +ATOM 1700 CB VAL A 186 41.820 49.055 42.529 1.00 13.68 C +ATOM 1701 CG1 VAL A 186 43.104 48.267 42.298 1.00 12.33 C +ATOM 1702 CG2 VAL A 186 42.013 50.516 42.143 1.00 11.85 C +ATOM 1703 H VAL A 186 38.987 48.973 42.878 1.00 0.00 H +ATOM 1704 N PHE A 187 40.954 46.089 41.169 1.00 10.97 N +ATOM 1705 CA PHE A 187 41.151 44.671 41.470 1.00 11.09 C +ATOM 1706 C PHE A 187 42.661 44.428 41.588 1.00 10.78 C +ATOM 1707 O PHE A 187 43.397 44.571 40.596 1.00 10.22 O +ATOM 1708 CB PHE A 187 40.602 43.748 40.374 1.00 10.11 C +ATOM 1709 CG PHE A 187 40.900 42.273 40.625 1.00 9.48 C +ATOM 1710 CD1 PHE A 187 40.811 41.733 41.913 1.00 9.89 C +ATOM 1711 CD2 PHE A 187 41.286 41.437 39.586 1.00 11.81 C +ATOM 1712 CE1 PHE A 187 41.114 40.389 42.160 1.00 11.77 C +ATOM 1713 CE2 PHE A 187 41.588 40.087 39.828 1.00 11.64 C +ATOM 1714 CZ PHE A 187 41.498 39.566 41.110 1.00 9.88 C +ATOM 1715 H PHE A 187 41.096 46.409 40.252 1.00 0.00 H +ATOM 1716 N ALA A 188 43.097 44.104 42.803 1.00 9.76 N +ATOM 1717 CA ALA A 188 44.486 43.765 43.060 1.00 10.30 C +ATOM 1718 C ALA A 188 44.590 42.226 43.180 1.00 10.42 C +ATOM 1719 O ALA A 188 43.897 41.620 44.019 1.00 10.82 O +ATOM 1720 CB ALA A 188 44.935 44.433 44.345 1.00 10.35 C +ATOM 1721 H ALA A 188 42.458 44.078 43.546 1.00 0.00 H +ATOM 1722 N GLN A 189 45.463 41.616 42.354 1.00 10.31 N +ATOM 1723 CA GLN A 189 45.557 40.159 42.287 1.00 8.62 C +ATOM 1724 C GLN A 189 46.093 39.476 43.550 1.00 11.10 C +ATOM 1725 O GLN A 189 46.119 38.251 43.621 1.00 11.57 O +ATOM 1726 CB GLN A 189 46.308 39.728 41.035 1.00 9.74 C +ATOM 1727 CG GLN A 189 45.470 39.880 39.777 1.00 11.43 C +ATOM 1728 CD GLN A 189 46.179 39.400 38.530 1.00 11.01 C +ATOM 1729 OE1 GLN A 189 47.279 38.866 38.609 1.00 12.56 O +ATOM 1730 NE2 GLN A 189 45.555 39.589 37.375 1.00 10.77 N +ATOM 1731 H GLN A 189 46.045 42.159 41.781 1.00 0.00 H +ATOM 1732 HE21 GLN A 189 46.011 39.319 36.548 1.00 0.00 H +ATOM 1733 HE22 GLN A 189 44.663 39.992 37.392 1.00 0.00 H +ATOM 1734 N ASN A 190 46.538 40.249 44.535 1.00 9.08 N +ATOM 1735 CA ASN A 190 46.784 39.682 45.860 1.00 9.96 C +ATOM 1736 C ASN A 190 46.638 40.777 46.920 1.00 10.99 C +ATOM 1737 O ASN A 190 46.578 41.993 46.596 1.00 10.52 O +ATOM 1738 CB ASN A 190 48.137 38.913 45.976 1.00 10.02 C +ATOM 1739 CG ASN A 190 49.384 39.770 46.188 1.00 12.23 C +ATOM 1740 OD1 ASN A 190 49.390 40.966 45.914 1.00 9.14 O +ATOM 1741 ND2 ASN A 190 50.465 39.152 46.668 1.00 10.29 N +ATOM 1742 H ASN A 190 46.697 41.204 44.379 1.00 0.00 H +ATOM 1743 HD21 ASN A 190 51.277 39.684 46.819 1.00 0.00 H +ATOM 1744 HD22 ASN A 190 50.409 38.191 46.851 1.00 0.00 H +ATOM 1745 N ASP A 191 46.536 40.354 48.173 1.00 10.98 N +ATOM 1746 CA ASP A 191 46.338 41.282 49.271 1.00 12.32 C +ATOM 1747 C ASP A 191 47.503 42.245 49.471 1.00 12.93 C +ATOM 1748 O ASP A 191 47.282 43.397 49.825 1.00 12.14 O +ATOM 1749 CB ASP A 191 46.066 40.514 50.556 1.00 11.46 C +ATOM 1750 CG ASP A 191 44.643 39.984 50.642 1.00 11.45 C +ATOM 1751 OD1 ASP A 191 43.798 40.365 49.802 1.00 11.78 O +ATOM 1752 OD2 ASP A 191 44.379 39.190 51.555 1.00 13.23 O +ATOM 1753 H ASP A 191 46.584 39.394 48.358 1.00 0.00 H +ATOM 1754 N GLU A 192 48.727 41.773 49.265 1.00 11.44 N +ATOM 1755 CA GLU A 192 49.897 42.648 49.404 1.00 12.62 C +ATOM 1756 C GLU A 192 49.796 43.855 48.455 1.00 10.62 C +ATOM 1757 O GLU A 192 49.963 45.013 48.887 1.00 11.38 O +ATOM 1758 CB GLU A 192 51.195 41.866 49.154 1.00 10.32 C +ATOM 1759 CG GLU A 192 51.574 40.947 50.303 1.00 10.44 C +ATOM 1760 CD GLU A 192 51.823 41.716 51.578 1.00 12.51 C +ATOM 1761 OE1 GLU A 192 52.827 42.442 51.649 1.00 13.61 O +ATOM 1762 OE2 GLU A 192 51.017 41.596 52.516 1.00 16.56 O +ATOM 1763 H GLU A 192 48.850 40.834 49.018 1.00 0.00 H +ATOM 1764 N MET A 193 49.479 43.611 47.191 1.00 9.03 N +ATOM 1765 CA MET A 193 49.324 44.724 46.269 1.00 10.37 C +ATOM 1766 C MET A 193 48.126 45.570 46.641 1.00 11.51 C +ATOM 1767 O MET A 193 48.177 46.791 46.508 1.00 11.26 O +ATOM 1768 CB MET A 193 49.199 44.240 44.833 1.00 10.63 C +ATOM 1769 CG MET A 193 50.474 43.597 44.306 1.00 9.04 C +ATOM 1770 SD MET A 193 50.356 43.205 42.574 1.00 12.64 S +ATOM 1771 CE MET A 193 48.994 42.026 42.581 1.00 10.60 C +ATOM 1772 H MET A 193 49.358 42.690 46.877 1.00 0.00 H +ATOM 1773 N ALA A 194 47.041 44.916 47.105 1.00 10.60 N +ATOM 1774 CA ALA A 194 45.835 45.653 47.531 1.00 12.22 C +ATOM 1775 C ALA A 194 46.153 46.627 48.679 1.00 11.50 C +ATOM 1776 O ALA A 194 45.733 47.782 48.658 1.00 13.18 O +ATOM 1777 CB ALA A 194 44.737 44.683 47.966 1.00 11.51 C +ATOM 1778 H ALA A 194 47.048 43.935 47.149 1.00 0.00 H +ATOM 1779 N LEU A 195 46.915 46.161 49.665 1.00 12.75 N +ATOM 1780 CA LEU A 195 47.304 46.993 50.798 1.00 11.92 C +ATOM 1781 C LEU A 195 48.222 48.144 50.369 1.00 12.94 C +ATOM 1782 O LEU A 195 48.137 49.243 50.933 1.00 13.80 O +ATOM 1783 CB LEU A 195 47.947 46.120 51.871 1.00 13.69 C +ATOM 1784 CG LEU A 195 46.988 45.132 52.549 1.00 16.03 C +ATOM 1785 CD1 LEU A 195 47.746 44.168 53.443 1.00 18.78 C +ATOM 1786 CD2 LEU A 195 45.955 45.887 53.350 1.00 19.43 C +ATOM 1787 H LEU A 195 47.225 45.232 49.628 1.00 0.00 H +ATOM 1788 N GLY A 196 49.086 47.903 49.371 1.00 12.04 N +ATOM 1789 CA GLY A 196 49.892 48.982 48.825 1.00 11.82 C +ATOM 1790 C GLY A 196 49.016 50.028 48.124 1.00 14.13 C +ATOM 1791 O GLY A 196 49.178 51.220 48.326 1.00 14.47 O +ATOM 1792 H GLY A 196 49.181 46.991 49.015 1.00 0.00 H +ATOM 1793 N ALA A 197 48.069 49.572 47.307 1.00 13.91 N +ATOM 1794 CA ALA A 197 47.146 50.460 46.620 1.00 12.47 C +ATOM 1795 C ALA A 197 46.360 51.305 47.622 1.00 13.03 C +ATOM 1796 O ALA A 197 46.171 52.502 47.421 1.00 14.21 O +ATOM 1797 CB ALA A 197 46.186 49.657 45.745 1.00 10.40 C +ATOM 1798 H ALA A 197 47.997 48.605 47.156 1.00 0.00 H +ATOM 1799 N LEU A 198 45.903 50.697 48.700 1.00 13.66 N +ATOM 1800 CA LEU A 198 45.177 51.450 49.711 1.00 16.04 C +ATOM 1801 C LEU A 198 46.048 52.572 50.285 1.00 17.15 C +ATOM 1802 O LEU A 198 45.571 53.685 50.494 1.00 16.30 O +ATOM 1803 CB LEU A 198 44.707 50.528 50.831 1.00 17.21 C +ATOM 1804 CG LEU A 198 43.470 49.692 50.528 1.00 19.59 C +ATOM 1805 CD1 LEU A 198 43.108 48.849 51.736 1.00 21.07 C +ATOM 1806 CD2 LEU A 198 42.313 50.598 50.158 1.00 22.86 C +ATOM 1807 H LEU A 198 46.044 49.733 48.815 1.00 0.00 H +ATOM 1808 N ARG A 199 47.329 52.285 50.530 1.00 17.23 N +ATOM 1809 CA ARG A 199 48.222 53.310 51.050 1.00 19.01 C +ATOM 1810 C ARG A 199 48.372 54.459 50.037 1.00 17.50 C +ATOM 1811 O ARG A 199 48.393 55.620 50.432 1.00 17.92 O +ATOM 1812 CB ARG A 199 49.592 52.701 51.418 1.00 21.95 C +ATOM 1813 CG ARG A 199 50.632 53.687 51.966 1.00 26.78 C +ATOM 1814 CD ARG A 199 50.088 54.557 53.108 1.00 28.62 C +ATOM 1815 NE ARG A 199 49.512 53.775 54.206 1.00 31.84 N +ATOM 1816 CZ ARG A 199 50.228 53.279 55.222 1.00 33.91 C +ATOM 1817 NH1 ARG A 199 51.538 53.498 55.306 1.00 34.19 N +ATOM 1818 NH2 ARG A 199 49.624 52.568 56.170 1.00 34.26 N +ATOM 1819 H ARG A 199 47.668 51.380 50.363 1.00 0.00 H +ATOM 1820 HE ARG A 199 48.549 53.612 54.199 1.00 0.00 H +ATOM 1821 HH11 ARG A 199 51.998 54.037 54.603 1.00 0.00 H +ATOM 1822 HH12 ARG A 199 52.060 53.120 56.071 1.00 0.00 H +ATOM 1823 HH21 ARG A 199 48.636 52.418 56.129 1.00 0.00 H +ATOM 1824 HH22 ARG A 199 50.153 52.203 56.936 1.00 0.00 H +ATOM 1825 N ALA A 200 48.446 54.137 48.746 1.00 15.03 N +ATOM 1826 CA ALA A 200 48.552 55.172 47.707 1.00 15.01 C +ATOM 1827 C ALA A 200 47.307 56.048 47.711 1.00 14.82 C +ATOM 1828 O ALA A 200 47.403 57.281 47.623 1.00 14.92 O +ATOM 1829 CB ALA A 200 48.715 54.545 46.325 1.00 13.91 C +ATOM 1830 H ALA A 200 48.436 53.192 48.484 1.00 0.00 H +ATOM 1831 N LEU A 201 46.139 55.400 47.799 1.00 15.43 N +ATOM 1832 CA LEU A 201 44.867 56.119 47.852 1.00 18.44 C +ATOM 1833 C LEU A 201 44.814 57.003 49.097 1.00 20.38 C +ATOM 1834 O LEU A 201 44.349 58.144 49.038 1.00 22.28 O +ATOM 1835 CB LEU A 201 43.692 55.133 47.838 1.00 18.67 C +ATOM 1836 CG LEU A 201 43.459 54.356 46.524 1.00 21.24 C +ATOM 1837 CD1 LEU A 201 42.445 53.245 46.734 1.00 21.44 C +ATOM 1838 CD2 LEU A 201 42.986 55.286 45.424 1.00 20.66 C +ATOM 1839 H LEU A 201 46.136 54.420 47.831 1.00 0.00 H +ATOM 1840 N GLN A 202 45.325 56.479 50.203 1.00 22.86 N +ATOM 1841 CA GLN A 202 45.426 57.224 51.459 1.00 26.31 C +ATOM 1842 C GLN A 202 46.279 58.494 51.270 1.00 26.28 C +ATOM 1843 O GLN A 202 45.856 59.611 51.610 1.00 26.34 O +ATOM 1844 CB GLN A 202 46.080 56.321 52.511 1.00 31.57 C +ATOM 1845 CG GLN A 202 46.308 56.961 53.869 1.00 39.28 C +ATOM 1846 CD GLN A 202 45.173 56.671 54.831 1.00 43.93 C +ATOM 1847 OE1 GLN A 202 44.910 55.508 55.169 1.00 47.91 O +ATOM 1848 NE2 GLN A 202 44.499 57.722 55.295 1.00 45.91 N +ATOM 1849 H GLN A 202 45.639 55.550 50.182 1.00 0.00 H +ATOM 1850 HE21 GLN A 202 43.723 57.556 55.867 1.00 0.00 H +ATOM 1851 HE22 GLN A 202 44.803 58.618 55.047 1.00 0.00 H +ATOM 1852 N THR A 203 47.485 58.321 50.746 1.00 23.84 N +ATOM 1853 CA THR A 203 48.370 59.438 50.510 1.00 25.02 C +ATOM 1854 C THR A 203 47.717 60.469 49.571 1.00 25.50 C +ATOM 1855 O THR A 203 47.875 61.678 49.760 1.00 25.78 O +ATOM 1856 CB THR A 203 49.714 58.918 49.929 1.00 24.56 C +ATOM 1857 OG1 THR A 203 50.376 58.148 50.941 1.00 27.78 O +ATOM 1858 CG2 THR A 203 50.638 60.046 49.494 1.00 24.35 C +ATOM 1859 H THR A 203 47.784 57.420 50.513 1.00 0.00 H +ATOM 1860 HG1 THR A 203 49.939 57.295 51.037 1.00 0.00 H +ATOM 1861 N ALA A 204 46.946 59.984 48.597 1.00 24.07 N +ATOM 1862 CA ALA A 204 46.326 60.851 47.608 1.00 25.13 C +ATOM 1863 C ALA A 204 44.999 61.468 48.061 1.00 27.31 C +ATOM 1864 O ALA A 204 44.440 62.296 47.345 1.00 30.18 O +ATOM 1865 CB ALA A 204 46.114 60.076 46.326 1.00 22.97 C +ATOM 1866 H ALA A 204 46.794 59.016 48.543 1.00 0.00 H +ATOM 1867 N GLY A 205 44.481 61.069 49.222 1.00 28.77 N +ATOM 1868 CA GLY A 205 43.205 61.605 49.684 1.00 29.84 C +ATOM 1869 C GLY A 205 42.002 61.046 48.916 1.00 34.18 C +ATOM 1870 O GLY A 205 40.951 61.692 48.811 1.00 36.42 O +ATOM 1871 H GLY A 205 44.948 60.394 49.760 1.00 0.00 H +ATOM 1872 N LYS A 206 42.153 59.840 48.378 1.00 36.20 N +ATOM 1873 CA LYS A 206 41.088 59.189 47.620 1.00 37.78 C +ATOM 1874 C LYS A 206 40.413 58.097 48.444 1.00 40.97 C +ATOM 1875 O LYS A 206 40.828 56.940 48.432 1.00 42.22 O +ATOM 1876 CB LYS A 206 41.668 58.573 46.354 1.00 39.51 C +ATOM 1877 CG LYS A 206 41.811 59.518 45.181 1.00 40.98 C +ATOM 1878 CD LYS A 206 40.510 59.623 44.414 1.00 46.09 C +ATOM 1879 CE LYS A 206 40.680 60.472 43.168 1.00 49.40 C +ATOM 1880 NZ LYS A 206 39.355 60.808 42.559 1.00 55.56 N +ATOM 1881 H LYS A 206 43.008 59.375 48.496 1.00 0.00 H +ATOM 1882 HZ1 LYS A 206 38.768 61.308 43.258 1.00 0.00 H +ATOM 1883 HZ2 LYS A 206 39.499 61.419 41.728 1.00 0.00 H +ATOM 1884 HZ3 LYS A 206 38.877 59.935 42.265 1.00 0.00 H +ATOM 1885 N SER A 207 39.359 58.445 49.148 1.00 44.43 N +ATOM 1886 CA SER A 207 38.647 57.447 49.964 1.00 47.50 C +ATOM 1887 C SER A 207 37.465 56.815 49.207 1.00 46.26 C +ATOM 1888 O SER A 207 36.868 55.834 49.662 1.00 48.00 O +ATOM 1889 CB SER A 207 38.142 58.109 51.256 1.00 50.39 C +ATOM 1890 OG SER A 207 37.697 59.442 50.998 1.00 54.89 O +ATOM 1891 H SER A 207 39.049 59.379 49.143 1.00 0.00 H +ATOM 1892 HG SER A 207 38.419 60.054 51.160 1.00 0.00 H +ATOM 1893 N ASP A 208 37.138 57.376 48.052 1.00 43.57 N +ATOM 1894 CA ASP A 208 35.973 56.925 47.292 1.00 40.54 C +ATOM 1895 C ASP A 208 36.249 55.720 46.371 1.00 36.11 C +ATOM 1896 O ASP A 208 35.351 55.283 45.643 1.00 36.10 O +ATOM 1897 CB ASP A 208 35.430 58.102 46.462 1.00 42.22 C +ATOM 1898 CG ASP A 208 36.465 58.677 45.499 1.00 45.14 C +ATOM 1899 OD1 ASP A 208 37.531 59.140 45.969 1.00 45.99 O +ATOM 1900 OD2 ASP A 208 36.212 58.665 44.270 1.00 46.45 O +ATOM 1901 H ASP A 208 37.688 58.104 47.702 1.00 0.00 H +ATOM 1902 N VAL A 209 37.460 55.175 46.388 1.00 29.00 N +ATOM 1903 CA VAL A 209 37.764 54.097 45.456 1.00 23.34 C +ATOM 1904 C VAL A 209 37.625 52.701 46.099 1.00 20.00 C +ATOM 1905 O VAL A 209 38.175 52.427 47.157 1.00 18.73 O +ATOM 1906 CB VAL A 209 39.174 54.277 44.846 1.00 21.24 C +ATOM 1907 CG1 VAL A 209 39.437 53.173 43.838 1.00 19.37 C +ATOM 1908 CG2 VAL A 209 39.283 55.631 44.167 1.00 17.88 C +ATOM 1909 H VAL A 209 38.137 55.489 47.022 1.00 0.00 H +ATOM 1910 N MET A 210 36.870 51.837 45.456 1.00 17.17 N +ATOM 1911 CA MET A 210 36.670 50.479 45.962 1.00 18.97 C +ATOM 1912 C MET A 210 37.863 49.577 45.584 1.00 16.88 C +ATOM 1913 O MET A 210 38.201 49.483 44.407 1.00 16.99 O +ATOM 1914 CB MET A 210 35.379 49.913 45.364 1.00 18.50 C +ATOM 1915 CG MET A 210 35.236 48.407 45.472 1.00 25.64 C +ATOM 1916 SD MET A 210 33.639 47.805 44.873 1.00 29.21 S +ATOM 1917 CE MET A 210 33.681 48.299 43.173 1.00 31.92 C +ATOM 1918 H MET A 210 36.446 52.103 44.616 1.00 0.00 H +ATOM 1919 N VAL A 211 38.486 48.931 46.578 1.00 14.98 N +ATOM 1920 CA VAL A 211 39.610 48.003 46.307 1.00 14.77 C +ATOM 1921 C VAL A 211 39.272 46.556 46.707 1.00 13.22 C +ATOM 1922 O VAL A 211 38.809 46.298 47.831 1.00 12.36 O +ATOM 1923 CB VAL A 211 40.898 48.424 47.059 1.00 16.20 C +ATOM 1924 CG1 VAL A 211 42.037 47.444 46.742 1.00 14.84 C +ATOM 1925 CG2 VAL A 211 41.289 49.850 46.684 1.00 14.92 C +ATOM 1926 H VAL A 211 38.201 49.084 47.503 1.00 0.00 H +ATOM 1927 N VAL A 212 39.490 45.617 45.783 1.00 12.28 N +ATOM 1928 CA VAL A 212 39.269 44.184 46.076 1.00 13.53 C +ATOM 1929 C VAL A 212 40.604 43.431 45.971 1.00 12.55 C +ATOM 1930 O VAL A 212 41.308 43.566 44.968 1.00 13.15 O +ATOM 1931 CB VAL A 212 38.242 43.539 45.103 1.00 13.41 C +ATOM 1932 CG1 VAL A 212 38.057 42.069 45.434 1.00 15.08 C +ATOM 1933 CG2 VAL A 212 36.890 44.242 45.201 1.00 13.82 C +ATOM 1934 H VAL A 212 39.811 45.881 44.897 1.00 0.00 H +ATOM 1935 N GLY A 213 40.956 42.689 47.019 1.00 10.28 N +ATOM 1936 CA GLY A 213 42.187 41.922 47.009 1.00 11.83 C +ATOM 1937 C GLY A 213 41.986 40.418 46.750 1.00 12.84 C +ATOM 1938 O GLY A 213 40.954 39.976 46.231 1.00 13.10 O +ATOM 1939 H GLY A 213 40.370 42.655 47.803 1.00 0.00 H +ATOM 1940 N PHE A 214 42.989 39.629 47.126 1.00 11.12 N +ATOM 1941 CA PHE A 214 42.963 38.193 46.907 1.00 10.99 C +ATOM 1942 C PHE A 214 43.970 37.548 47.840 1.00 10.65 C +ATOM 1943 O PHE A 214 45.102 38.039 47.936 1.00 12.01 O +ATOM 1944 CB PHE A 214 43.341 37.909 45.445 1.00 10.19 C +ATOM 1945 CG PHE A 214 42.844 36.602 44.867 1.00 10.93 C +ATOM 1946 CD1 PHE A 214 43.359 35.378 45.299 1.00 12.14 C +ATOM 1947 CD2 PHE A 214 41.872 36.597 43.857 1.00 11.77 C +ATOM 1948 CE1 PHE A 214 42.924 34.167 44.722 1.00 13.37 C +ATOM 1949 CE2 PHE A 214 41.436 35.400 43.277 1.00 12.51 C +ATOM 1950 CZ PHE A 214 41.957 34.182 43.716 1.00 11.75 C +ATOM 1951 H PHE A 214 43.776 40.030 47.548 1.00 0.00 H +ATOM 1952 N ASP A 215 43.500 36.523 48.577 1.00 10.41 N +ATOM 1953 CA ASP A 215 44.287 35.673 49.507 1.00 11.03 C +ATOM 1954 C ASP A 215 43.626 35.499 50.855 1.00 12.74 C +ATOM 1955 O ASP A 215 43.605 34.392 51.386 1.00 13.96 O +ATOM 1956 CB ASP A 215 45.725 36.148 49.776 1.00 10.61 C +ATOM 1957 CG ASP A 215 46.669 35.913 48.612 1.00 10.04 C +ATOM 1958 OD1 ASP A 215 46.271 35.298 47.596 1.00 10.68 O +ATOM 1959 OD2 ASP A 215 47.806 36.370 48.707 1.00 12.83 O +ATOM 1960 H ASP A 215 42.554 36.320 48.488 1.00 0.00 H +ATOM 1961 N GLY A 216 43.099 36.580 51.410 1.00 11.73 N +ATOM 1962 CA GLY A 216 42.553 36.507 52.737 1.00 13.00 C +ATOM 1963 C GLY A 216 43.636 36.329 53.791 1.00 15.50 C +ATOM 1964 O GLY A 216 43.477 35.567 54.734 1.00 16.36 O +ATOM 1965 H GLY A 216 43.082 37.420 50.917 1.00 0.00 H +ATOM 1966 N THR A 217 44.779 37.002 53.612 1.00 15.73 N +ATOM 1967 CA THR A 217 45.827 36.968 54.634 1.00 16.18 C +ATOM 1968 C THR A 217 45.329 37.695 55.892 1.00 15.82 C +ATOM 1969 O THR A 217 44.308 38.397 55.844 1.00 16.69 O +ATOM 1970 CB THR A 217 47.106 37.690 54.141 1.00 16.99 C +ATOM 1971 OG1 THR A 217 46.787 39.066 53.820 1.00 16.85 O +ATOM 1972 CG2 THR A 217 47.679 36.994 52.908 1.00 17.00 C +ATOM 1973 H THR A 217 44.925 37.500 52.788 1.00 0.00 H +ATOM 1974 HG1 THR A 217 46.057 39.086 53.197 1.00 0.00 H +ATOM 1975 N PRO A 218 46.005 37.533 57.036 1.00 17.63 N +ATOM 1976 CA PRO A 218 45.616 38.220 58.272 1.00 18.90 C +ATOM 1977 C PRO A 218 45.482 39.745 58.048 1.00 18.08 C +ATOM 1978 O PRO A 218 44.506 40.343 58.471 1.00 18.16 O +ATOM 1979 CB PRO A 218 46.751 37.878 59.235 1.00 19.62 C +ATOM 1980 CG PRO A 218 47.189 36.540 58.759 1.00 21.67 C +ATOM 1981 CD PRO A 218 47.157 36.643 57.257 1.00 18.62 C +ATOM 1982 N ASP A 219 46.454 40.356 57.348 1.00 18.96 N +ATOM 1983 CA ASP A 219 46.405 41.802 57.070 1.00 20.63 C +ATOM 1984 C ASP A 219 45.278 42.123 56.128 1.00 19.79 C +ATOM 1985 O ASP A 219 44.642 43.165 56.258 1.00 20.03 O +ATOM 1986 CB ASP A 219 47.695 42.315 56.421 1.00 24.12 C +ATOM 1987 CG ASP A 219 48.891 42.385 57.338 1.00 27.18 C +ATOM 1988 OD1 ASP A 219 48.711 42.399 58.576 1.00 30.40 O +ATOM 1989 OD2 ASP A 219 50.016 42.437 56.816 1.00 29.16 O +ATOM 1990 H ASP A 219 47.209 39.831 57.017 1.00 0.00 H +ATOM 1991 N GLY A 220 45.059 41.240 55.156 1.00 19.30 N +ATOM 1992 CA GLY A 220 43.980 41.442 54.200 1.00 17.78 C +ATOM 1993 C GLY A 220 42.611 41.403 54.859 1.00 20.03 C +ATOM 1994 O GLY A 220 41.749 42.216 54.552 1.00 19.95 O +ATOM 1995 H GLY A 220 45.629 40.451 55.084 1.00 0.00 H +ATOM 1996 N GLU A 221 42.419 40.465 55.779 1.00 21.11 N +ATOM 1997 CA GLU A 221 41.143 40.317 56.473 1.00 25.86 C +ATOM 1998 C GLU A 221 40.898 41.435 57.461 1.00 25.68 C +ATOM 1999 O GLU A 221 39.757 41.878 57.636 1.00 25.83 O +ATOM 2000 CB GLU A 221 41.063 38.970 57.191 1.00 28.29 C +ATOM 2001 CG GLU A 221 40.838 37.818 56.238 1.00 37.87 C +ATOM 2002 CD GLU A 221 40.273 36.583 56.909 1.00 42.69 C +ATOM 2003 OE1 GLU A 221 39.830 36.686 58.085 1.00 44.91 O +ATOM 2004 OE2 GLU A 221 40.262 35.504 56.248 1.00 44.85 O +ATOM 2005 H GLU A 221 43.153 39.861 56.006 1.00 0.00 H +ATOM 2006 N LYS A 222 41.956 41.880 58.120 1.00 26.44 N +ATOM 2007 CA LYS A 222 41.823 42.997 59.033 1.00 27.45 C +ATOM 2008 C LYS A 222 41.361 44.262 58.297 1.00 25.89 C +ATOM 2009 O LYS A 222 40.475 44.962 58.776 1.00 26.70 O +ATOM 2010 CB LYS A 222 43.131 43.275 59.784 1.00 31.98 C +ATOM 2011 CG LYS A 222 43.017 44.476 60.700 1.00 36.18 C +ATOM 2012 CD LYS A 222 44.090 44.495 61.764 1.00 43.36 C +ATOM 2013 CE LYS A 222 43.767 45.569 62.798 1.00 47.03 C +ATOM 2014 NZ LYS A 222 42.413 45.351 63.400 1.00 49.81 N +ATOM 2015 H LYS A 222 42.828 41.453 57.992 1.00 0.00 H +ATOM 2016 HZ1 LYS A 222 41.695 45.338 62.648 1.00 0.00 H +ATOM 2017 HZ2 LYS A 222 42.399 44.440 63.903 1.00 0.00 H +ATOM 2018 HZ3 LYS A 222 42.202 46.120 64.068 1.00 0.00 H +ATOM 2019 N ALA A 223 41.946 44.540 57.130 1.00 24.27 N +ATOM 2020 CA ALA A 223 41.581 45.724 56.358 1.00 23.54 C +ATOM 2021 C ALA A 223 40.127 45.660 55.910 1.00 22.50 C +ATOM 2022 O ALA A 223 39.479 46.695 55.783 1.00 23.98 O +ATOM 2023 CB ALA A 223 42.501 45.883 55.149 1.00 21.71 C +ATOM 2024 H ALA A 223 42.645 43.944 56.785 1.00 0.00 H +ATOM 2025 N VAL A 224 39.630 44.449 55.649 1.00 20.61 N +ATOM 2026 CA VAL A 224 38.229 44.272 55.269 1.00 22.43 C +ATOM 2027 C VAL A 224 37.369 44.585 56.479 1.00 24.39 C +ATOM 2028 O VAL A 224 36.389 45.312 56.393 1.00 24.13 O +ATOM 2029 CB VAL A 224 37.922 42.818 54.777 1.00 21.84 C +ATOM 2030 CG1 VAL A 224 36.419 42.632 54.550 1.00 22.66 C +ATOM 2031 CG2 VAL A 224 38.666 42.529 53.481 1.00 19.21 C +ATOM 2032 H VAL A 224 40.217 43.667 55.702 1.00 0.00 H +ATOM 2033 N ASN A 225 37.795 44.078 57.625 1.00 27.27 N +ATOM 2034 CA ASN A 225 37.083 44.320 58.868 1.00 32.05 C +ATOM 2035 C ASN A 225 37.136 45.777 59.300 1.00 32.86 C +ATOM 2036 O ASN A 225 36.197 46.277 59.915 1.00 34.98 O +ATOM 2037 CB ASN A 225 37.622 43.408 59.963 1.00 33.84 C +ATOM 2038 CG ASN A 225 37.203 41.986 59.693 1.00 37.84 C +ATOM 2039 OD1 ASN A 225 36.139 41.754 59.107 1.00 38.35 O +ATOM 2040 ND2 ASN A 225 38.024 41.026 60.103 1.00 40.06 N +ATOM 2041 H ASN A 225 38.606 43.533 57.637 1.00 0.00 H +ATOM 2042 HD21 ASN A 225 37.785 40.098 59.905 1.00 0.00 H +ATOM 2043 HD22 ASN A 225 38.835 41.282 60.591 1.00 0.00 H +ATOM 2044 N ASP A 226 38.219 46.463 58.982 1.00 33.80 N +ATOM 2045 CA ASP A 226 38.318 47.869 59.320 1.00 34.65 C +ATOM 2046 C ASP A 226 37.597 48.737 58.282 1.00 33.81 C +ATOM 2047 O ASP A 226 37.625 49.968 58.375 1.00 36.50 O +ATOM 2048 CB ASP A 226 39.788 48.296 59.443 1.00 37.28 C +ATOM 2049 CG ASP A 226 40.518 47.689 60.637 1.00 40.47 C +ATOM 2050 OD1 ASP A 226 39.852 47.340 61.647 1.00 42.54 O +ATOM 2051 OD2 ASP A 226 41.768 47.567 60.567 1.00 42.01 O +ATOM 2052 H ASP A 226 38.958 46.022 58.513 1.00 0.00 H +ATOM 2053 N GLY A 227 36.972 48.093 57.288 1.00 31.00 N +ATOM 2054 CA GLY A 227 36.231 48.818 56.262 1.00 27.78 C +ATOM 2055 C GLY A 227 37.096 49.475 55.177 1.00 27.46 C +ATOM 2056 O GLY A 227 36.549 50.139 54.290 1.00 28.20 O +ATOM 2057 H GLY A 227 37.011 47.115 57.245 1.00 0.00 H +ATOM 2058 N LYS A 228 38.428 49.282 55.222 1.00 24.71 N +ATOM 2059 CA LYS A 228 39.327 49.905 54.231 1.00 24.90 C +ATOM 2060 C LYS A 228 39.374 49.135 52.907 1.00 23.93 C +ATOM 2061 O LYS A 228 39.440 49.744 51.828 1.00 23.50 O +ATOM 2062 CB LYS A 228 40.738 50.023 54.790 1.00 28.34 C +ATOM 2063 CG LYS A 228 40.838 50.873 56.035 1.00 33.00 C +ATOM 2064 CD LYS A 228 41.439 50.084 57.180 1.00 40.58 C +ATOM 2065 CE LYS A 228 42.873 49.647 56.896 1.00 42.41 C +ATOM 2066 NZ LYS A 228 43.403 48.797 58.007 1.00 44.73 N +ATOM 2067 H LYS A 228 38.806 48.712 55.920 1.00 0.00 H +ATOM 2068 HZ1 LYS A 228 42.805 47.953 58.112 1.00 0.00 H +ATOM 2069 HZ2 LYS A 228 44.376 48.507 57.786 1.00 0.00 H +ATOM 2070 HZ3 LYS A 228 43.396 49.340 58.894 1.00 0.00 H +ATOM 2071 N LEU A 229 39.393 47.791 53.001 1.00 22.85 N +ATOM 2072 CA LEU A 229 39.353 46.914 51.816 1.00 20.52 C +ATOM 2073 C LEU A 229 37.902 46.474 51.645 1.00 18.38 C +ATOM 2074 O LEU A 229 37.285 46.009 52.608 1.00 21.31 O +ATOM 2075 CB LEU A 229 40.197 45.664 52.068 1.00 19.81 C +ATOM 2076 CG LEU A 229 41.340 45.309 51.115 1.00 23.74 C +ATOM 2077 CD1 LEU A 229 41.637 43.829 51.258 1.00 20.52 C +ATOM 2078 CD2 LEU A 229 40.987 45.621 49.671 1.00 22.15 C +ATOM 2079 H LEU A 229 39.412 47.378 53.888 1.00 0.00 H +ATOM 2080 N ALA A 230 37.365 46.607 50.448 1.00 16.30 N +ATOM 2081 CA ALA A 230 35.966 46.262 50.206 1.00 16.11 C +ATOM 2082 C ALA A 230 35.722 44.756 50.319 1.00 17.22 C +ATOM 2083 O ALA A 230 34.649 44.330 50.737 1.00 17.53 O +ATOM 2084 CB ALA A 230 35.545 46.740 48.829 1.00 15.17 C +ATOM 2085 H ALA A 230 37.917 46.935 49.709 1.00 0.00 H +ATOM 2086 N ALA A 231 36.719 43.966 49.919 1.00 16.07 N +ATOM 2087 CA ALA A 231 36.604 42.513 49.922 1.00 14.42 C +ATOM 2088 C ALA A 231 37.936 41.877 49.510 1.00 14.47 C +ATOM 2089 O ALA A 231 38.841 42.547 49.001 1.00 13.12 O +ATOM 2090 CB ALA A 231 35.518 42.070 48.946 1.00 13.06 C +ATOM 2091 H ALA A 231 37.557 44.372 49.614 1.00 0.00 H +ATOM 2092 N THR A 232 38.040 40.588 49.783 1.00 15.15 N +ATOM 2093 CA THR A 232 39.164 39.788 49.360 1.00 13.60 C +ATOM 2094 C THR A 232 38.673 38.361 49.135 1.00 15.53 C +ATOM 2095 O THR A 232 37.676 37.928 49.737 1.00 16.69 O +ATOM 2096 CB THR A 232 40.328 39.793 50.390 1.00 13.25 C +ATOM 2097 OG1 THR A 232 41.451 39.083 49.832 1.00 14.23 O +ATOM 2098 CG2 THR A 232 39.935 39.148 51.717 1.00 12.01 C +ATOM 2099 H THR A 232 37.324 40.156 50.296 1.00 0.00 H +ATOM 2100 HG1 THR A 232 42.199 39.166 50.430 1.00 0.00 H +ATOM 2101 N ILE A 233 39.299 37.671 48.209 1.00 14.02 N +ATOM 2102 CA ILE A 233 38.962 36.276 47.948 1.00 14.92 C +ATOM 2103 C ILE A 233 39.902 35.408 48.796 1.00 14.75 C +ATOM 2104 O ILE A 233 41.102 35.335 48.521 1.00 13.83 O +ATOM 2105 CB ILE A 233 39.169 35.933 46.450 1.00 15.90 C +ATOM 2106 CG1 ILE A 233 38.534 37.000 45.532 1.00 18.55 C +ATOM 2107 CG2 ILE A 233 38.629 34.547 46.155 1.00 16.11 C +ATOM 2108 CD1 ILE A 233 37.085 37.341 45.819 1.00 19.39 C +ATOM 2109 H ILE A 233 40.009 38.104 47.692 1.00 0.00 H +ATOM 2110 N ALA A 234 39.390 34.796 49.851 1.00 14.06 N +ATOM 2111 CA ALA A 234 40.256 34.011 50.735 1.00 15.36 C +ATOM 2112 C ALA A 234 40.649 32.661 50.145 1.00 14.17 C +ATOM 2113 O ALA A 234 39.822 31.924 49.610 1.00 15.93 O +ATOM 2114 CB ALA A 234 39.613 33.797 52.101 1.00 13.25 C +ATOM 2115 H ALA A 234 38.430 34.857 50.035 1.00 0.00 H +ATOM 2116 N GLN A 235 41.937 32.386 50.195 1.00 14.17 N +ATOM 2117 CA GLN A 235 42.468 31.080 49.826 1.00 12.61 C +ATOM 2118 C GLN A 235 42.813 30.386 51.109 1.00 12.66 C +ATOM 2119 O GLN A 235 42.768 30.998 52.174 1.00 13.09 O +ATOM 2120 CB GLN A 235 43.757 31.212 49.023 1.00 11.30 C +ATOM 2121 CG GLN A 235 43.586 31.807 47.658 1.00 12.87 C +ATOM 2122 CD GLN A 235 44.830 31.631 46.829 1.00 12.76 C +ATOM 2123 OE1 GLN A 235 45.013 30.604 46.194 1.00 14.12 O +ATOM 2124 NE2 GLN A 235 45.697 32.635 46.840 1.00 10.33 N +ATOM 2125 H GLN A 235 42.561 33.081 50.493 1.00 0.00 H +ATOM 2126 HE21 GLN A 235 46.520 32.544 46.310 1.00 0.00 H +ATOM 2127 HE22 GLN A 235 45.486 33.424 47.376 1.00 0.00 H +ATOM 2128 N LEU A 236 43.212 29.136 51.027 1.00 14.03 N +ATOM 2129 CA LEU A 236 43.604 28.403 52.231 1.00 15.70 C +ATOM 2130 C LEU A 236 45.063 27.947 52.112 1.00 14.60 C +ATOM 2131 O LEU A 236 45.347 26.756 51.946 1.00 14.31 O +ATOM 2132 CB LEU A 236 42.658 27.210 52.421 1.00 16.25 C +ATOM 2133 CG LEU A 236 41.200 27.583 52.700 1.00 17.62 C +ATOM 2134 CD1 LEU A 236 40.311 26.374 52.541 1.00 18.17 C +ATOM 2135 CD2 LEU A 236 41.089 28.177 54.089 1.00 16.88 C +ATOM 2136 H LEU A 236 43.247 28.693 50.153 1.00 0.00 H +ATOM 2137 N PRO A 237 46.023 28.897 52.229 1.00 15.42 N +ATOM 2138 CA PRO A 237 47.470 28.597 52.097 1.00 14.57 C +ATOM 2139 C PRO A 237 47.935 27.447 52.989 1.00 13.55 C +ATOM 2140 O PRO A 237 48.667 26.575 52.521 1.00 14.85 O +ATOM 2141 CB PRO A 237 48.156 29.931 52.446 1.00 14.12 C +ATOM 2142 CG PRO A 237 47.129 30.647 53.264 1.00 14.34 C +ATOM 2143 CD PRO A 237 45.814 30.312 52.614 1.00 11.65 C +ATOM 2144 N ASP A 238 47.498 27.444 54.251 1.00 12.82 N +ATOM 2145 CA ASP A 238 47.887 26.384 55.183 1.00 17.98 C +ATOM 2146 C ASP A 238 47.436 25.001 54.699 1.00 18.40 C +ATOM 2147 O ASP A 238 48.167 24.009 54.836 1.00 18.59 O +ATOM 2148 CB ASP A 238 47.322 26.659 56.578 1.00 23.00 C +ATOM 2149 CG ASP A 238 45.799 26.665 56.627 1.00 31.03 C +ATOM 2150 OD1 ASP A 238 45.157 27.326 55.757 1.00 33.49 O +ATOM 2151 OD2 ASP A 238 45.239 26.008 57.540 1.00 37.47 O +ATOM 2152 H ASP A 238 46.909 28.165 54.560 1.00 0.00 H +ATOM 2153 N GLN A 239 46.244 24.934 54.128 1.00 16.79 N +ATOM 2154 CA GLN A 239 45.741 23.682 53.622 1.00 18.47 C +ATOM 2155 C GLN A 239 46.457 23.286 52.346 1.00 18.85 C +ATOM 2156 O GLN A 239 46.629 22.097 52.078 1.00 19.39 O +ATOM 2157 CB GLN A 239 44.226 23.748 53.414 1.00 22.20 C +ATOM 2158 CG GLN A 239 43.463 23.860 54.728 1.00 32.33 C +ATOM 2159 CD GLN A 239 41.952 23.744 54.580 1.00 38.04 C +ATOM 2160 OE1 GLN A 239 41.439 23.196 53.590 1.00 41.51 O +ATOM 2161 NE2 GLN A 239 41.225 24.260 55.568 1.00 40.07 N +ATOM 2162 H GLN A 239 45.697 25.741 54.051 1.00 0.00 H +ATOM 2163 HE21 GLN A 239 40.252 24.183 55.513 1.00 0.00 H +ATOM 2164 HE22 GLN A 239 41.691 24.698 56.313 1.00 0.00 H +ATOM 2165 N ILE A 240 46.886 24.266 51.542 1.00 18.43 N +ATOM 2166 CA ILE A 240 47.675 23.934 50.355 1.00 17.03 C +ATOM 2167 C ILE A 240 49.004 23.278 50.791 1.00 15.48 C +ATOM 2168 O ILE A 240 49.387 22.233 50.248 1.00 16.01 O +ATOM 2169 CB ILE A 240 47.936 25.178 49.458 1.00 16.84 C +ATOM 2170 CG1 ILE A 240 46.616 25.614 48.805 1.00 13.79 C +ATOM 2171 CG2 ILE A 240 48.981 24.859 48.383 1.00 16.32 C +ATOM 2172 CD1 ILE A 240 46.722 26.895 47.999 1.00 15.75 C +ATOM 2173 H ILE A 240 46.671 25.198 51.745 1.00 0.00 H +ATOM 2174 N GLY A 241 49.649 23.851 51.816 1.00 13.44 N +ATOM 2175 CA GLY A 241 50.895 23.294 52.328 1.00 13.98 C +ATOM 2176 C GLY A 241 50.710 21.901 52.943 1.00 16.53 C +ATOM 2177 O GLY A 241 51.516 20.997 52.705 1.00 14.27 O +ATOM 2178 H GLY A 241 49.279 24.662 52.226 1.00 0.00 H +ATOM 2179 N ALA A 242 49.632 21.720 53.727 1.00 16.70 N +ATOM 2180 CA ALA A 242 49.370 20.428 54.372 1.00 17.10 C +ATOM 2181 C ALA A 242 49.039 19.374 53.348 1.00 17.09 C +ATOM 2182 O ALA A 242 49.565 18.254 53.401 1.00 18.92 O +ATOM 2183 CB ALA A 242 48.246 20.546 55.396 1.00 16.58 C +ATOM 2184 H ALA A 242 49.015 22.467 53.877 1.00 0.00 H +ATOM 2185 N LYS A 243 48.196 19.737 52.402 1.00 17.05 N +ATOM 2186 CA LYS A 243 47.810 18.837 51.339 1.00 17.42 C +ATOM 2187 C LYS A 243 49.037 18.371 50.546 1.00 17.92 C +ATOM 2188 O LYS A 243 49.142 17.199 50.182 1.00 16.47 O +ATOM 2189 CB LYS A 243 46.802 19.532 50.431 1.00 19.37 C +ATOM 2190 CG LYS A 243 46.070 18.605 49.489 1.00 26.75 C +ATOM 2191 CD LYS A 243 45.333 17.527 50.265 1.00 31.24 C +ATOM 2192 CE LYS A 243 44.428 16.724 49.360 1.00 34.51 C +ATOM 2193 NZ LYS A 243 43.706 15.676 50.131 1.00 37.87 N +ATOM 2194 H LYS A 243 47.820 20.641 52.420 1.00 0.00 H +ATOM 2195 HZ1 LYS A 243 44.394 15.038 50.576 1.00 0.00 H +ATOM 2196 HZ2 LYS A 243 43.126 16.126 50.868 1.00 0.00 H +ATOM 2197 HZ3 LYS A 243 43.091 15.133 49.489 1.00 0.00 H +ATOM 2198 N GLY A 244 49.977 19.283 50.308 1.00 15.87 N +ATOM 2199 CA GLY A 244 51.209 18.915 49.625 1.00 15.05 C +ATOM 2200 C GLY A 244 51.992 17.820 50.363 1.00 15.59 C +ATOM 2201 O GLY A 244 52.479 16.873 49.735 1.00 15.89 O +ATOM 2202 H GLY A 244 49.835 20.214 50.586 1.00 0.00 H +ATOM 2203 N VAL A 245 52.115 17.942 51.698 1.00 14.97 N +ATOM 2204 CA VAL A 245 52.883 16.965 52.479 1.00 17.68 C +ATOM 2205 C VAL A 245 52.115 15.650 52.576 1.00 18.28 C +ATOM 2206 O VAL A 245 52.697 14.567 52.511 1.00 20.31 O +ATOM 2207 CB VAL A 245 53.208 17.471 53.913 1.00 16.77 C +ATOM 2208 CG1 VAL A 245 53.836 16.341 54.719 1.00 18.73 C +ATOM 2209 CG2 VAL A 245 54.156 18.684 53.871 1.00 15.72 C +ATOM 2210 H VAL A 245 51.688 18.695 52.160 1.00 0.00 H +ATOM 2211 N GLU A 246 50.805 15.752 52.727 1.00 18.26 N +ATOM 2212 CA GLU A 246 49.973 14.576 52.764 1.00 19.68 C +ATOM 2213 C GLU A 246 50.115 13.784 51.461 1.00 18.75 C +ATOM 2214 O GLU A 246 50.296 12.564 51.475 1.00 18.89 O +ATOM 2215 CB GLU A 246 48.528 14.995 52.966 1.00 22.91 C +ATOM 2216 CG GLU A 246 47.574 13.833 53.136 1.00 28.55 C +ATOM 2217 CD GLU A 246 46.160 14.230 52.826 1.00 33.25 C +ATOM 2218 OE1 GLU A 246 45.579 15.002 53.613 1.00 36.19 O +ATOM 2219 OE2 GLU A 246 45.636 13.779 51.787 1.00 37.38 O +ATOM 2220 H GLU A 246 50.396 16.638 52.815 1.00 0.00 H +ATOM 2221 N THR A 247 50.034 14.484 50.338 1.00 17.77 N +ATOM 2222 CA THR A 247 50.169 13.853 49.031 1.00 18.05 C +ATOM 2223 C THR A 247 51.573 13.258 48.876 1.00 18.54 C +ATOM 2224 O THR A 247 51.736 12.204 48.275 1.00 19.00 O +ATOM 2225 CB THR A 247 49.888 14.879 47.897 1.00 17.79 C +ATOM 2226 OG1 THR A 247 48.556 15.405 48.043 1.00 20.58 O +ATOM 2227 CG2 THR A 247 50.028 14.246 46.520 1.00 16.94 C +ATOM 2228 H THR A 247 49.875 15.448 50.386 1.00 0.00 H +ATOM 2229 HG1 THR A 247 48.526 15.989 48.810 1.00 0.00 H +ATOM 2230 N ALA A 248 52.574 13.937 49.444 1.00 17.45 N +ATOM 2231 CA ALA A 248 53.955 13.463 49.393 1.00 18.84 C +ATOM 2232 C ALA A 248 54.082 12.116 50.120 1.00 20.32 C +ATOM 2233 O ALA A 248 54.776 11.205 49.651 1.00 19.72 O +ATOM 2234 CB ALA A 248 54.866 14.505 50.042 1.00 19.82 C +ATOM 2235 H ALA A 248 52.379 14.778 49.905 1.00 0.00 H +ATOM 2236 N ASP A 249 53.401 12.025 51.264 1.00 21.57 N +ATOM 2237 CA ASP A 249 53.381 10.809 52.073 1.00 22.74 C +ATOM 2238 C ASP A 249 52.805 9.637 51.279 1.00 22.90 C +ATOM 2239 O ASP A 249 53.425 8.587 51.214 1.00 22.71 O +ATOM 2240 CB ASP A 249 52.563 11.053 53.346 1.00 24.25 C +ATOM 2241 CG ASP A 249 52.441 9.823 54.238 1.00 24.64 C +ATOM 2242 OD1 ASP A 249 53.453 9.374 54.808 1.00 21.10 O +ATOM 2243 OD2 ASP A 249 51.325 9.320 54.370 1.00 26.31 O +ATOM 2244 H ASP A 249 52.899 12.807 51.576 1.00 0.00 H +ATOM 2245 N LYS A 250 51.646 9.831 50.663 1.00 22.76 N +ATOM 2246 CA LYS A 250 51.033 8.793 49.843 1.00 25.75 C +ATOM 2247 C LYS A 250 51.963 8.322 48.731 1.00 26.62 C +ATOM 2248 O LYS A 250 52.148 7.117 48.552 1.00 28.87 O +ATOM 2249 CB LYS A 250 49.733 9.293 49.216 1.00 27.06 C +ATOM 2250 CG LYS A 250 48.627 9.570 50.217 1.00 31.31 C +ATOM 2251 CD LYS A 250 47.376 10.067 49.514 1.00 35.25 C +ATOM 2252 CE LYS A 250 46.308 10.472 50.522 1.00 39.67 C +ATOM 2253 NZ LYS A 250 45.197 11.257 49.888 1.00 44.16 N +ATOM 2254 H LYS A 250 51.187 10.691 50.763 1.00 0.00 H +ATOM 2255 HZ1 LYS A 250 45.579 12.119 49.451 1.00 0.00 H +ATOM 2256 HZ2 LYS A 250 44.731 10.678 49.162 1.00 0.00 H +ATOM 2257 HZ3 LYS A 250 44.499 11.521 50.617 1.00 0.00 H +ATOM 2258 N VAL A 251 52.539 9.268 47.974 1.00 25.21 N +ATOM 2259 CA VAL A 251 53.455 8.922 46.874 1.00 24.70 C +ATOM 2260 C VAL A 251 54.599 8.025 47.378 1.00 25.85 C +ATOM 2261 O VAL A 251 54.925 6.990 46.765 1.00 27.01 O +ATOM 2262 CB VAL A 251 54.058 10.196 46.214 1.00 22.79 C +ATOM 2263 CG1 VAL A 251 55.160 9.814 45.235 1.00 24.23 C +ATOM 2264 CG2 VAL A 251 52.978 10.970 45.485 1.00 21.62 C +ATOM 2265 H VAL A 251 52.347 10.210 48.158 1.00 0.00 H +ATOM 2266 N LEU A 252 55.189 8.407 48.506 1.00 25.32 N +ATOM 2267 CA LEU A 252 56.269 7.634 49.074 1.00 27.38 C +ATOM 2268 C LEU A 252 55.778 6.257 49.491 1.00 29.34 C +ATOM 2269 O LEU A 252 56.528 5.289 49.404 1.00 29.07 O +ATOM 2270 CB LEU A 252 56.871 8.356 50.274 1.00 25.26 C +ATOM 2271 CG LEU A 252 57.745 9.563 49.964 1.00 27.42 C +ATOM 2272 CD1 LEU A 252 58.251 10.184 51.260 1.00 26.06 C +ATOM 2273 CD2 LEU A 252 58.905 9.145 49.071 1.00 27.54 C +ATOM 2274 H LEU A 252 54.886 9.221 48.962 1.00 0.00 H +ATOM 2275 N LYS A 253 54.514 6.192 49.955 1.00 31.27 N +ATOM 2276 CA LYS A 253 53.898 4.933 50.387 1.00 33.44 C +ATOM 2277 C LYS A 253 53.414 4.093 49.208 1.00 34.66 C +ATOM 2278 O LYS A 253 52.820 3.025 49.405 1.00 36.24 O +ATOM 2279 CB LYS A 253 52.727 5.201 51.339 1.00 31.32 C +ATOM 2280 CG LYS A 253 53.146 5.594 52.742 1.00 32.58 C +ATOM 2281 CD LYS A 253 51.931 5.900 53.599 1.00 35.64 C +ATOM 2282 CE LYS A 253 52.332 6.187 55.041 1.00 37.94 C +ATOM 2283 NZ LYS A 253 51.172 6.652 55.872 1.00 38.94 N +ATOM 2284 H LYS A 253 53.984 7.018 50.003 1.00 0.00 H +ATOM 2285 HZ1 LYS A 253 50.423 5.929 55.865 1.00 0.00 H +ATOM 2286 HZ2 LYS A 253 51.491 6.807 56.850 1.00 0.00 H +ATOM 2287 HZ3 LYS A 253 50.798 7.543 55.486 1.00 0.00 H +ATOM 2288 N GLY A 254 53.639 4.584 47.995 1.00 34.50 N +ATOM 2289 CA GLY A 254 53.279 3.825 46.812 1.00 35.82 C +ATOM 2290 C GLY A 254 51.829 3.955 46.428 1.00 36.97 C +ATOM 2291 O GLY A 254 51.365 3.306 45.474 1.00 39.78 O +ATOM 2292 H GLY A 254 54.047 5.469 47.896 1.00 0.00 H +ATOM 2293 N GLU A 255 51.096 4.768 47.164 1.00 34.97 N +ATOM 2294 CA GLU A 255 49.704 4.974 46.850 1.00 35.77 C +ATOM 2295 C GLU A 255 49.598 5.919 45.684 1.00 36.59 C +ATOM 2296 O GLU A 255 50.394 6.839 45.565 1.00 37.14 O +ATOM 2297 CB GLU A 255 48.993 5.560 48.044 1.00 39.56 C +ATOM 2298 CG GLU A 255 49.290 4.819 49.331 1.00 45.50 C +ATOM 2299 CD GLU A 255 48.403 5.254 50.473 1.00 48.87 C +ATOM 2300 OE1 GLU A 255 47.287 5.765 50.199 1.00 50.14 O +ATOM 2301 OE2 GLU A 255 48.817 5.078 51.650 1.00 52.44 O +ATOM 2302 H GLU A 255 51.501 5.238 47.923 1.00 0.00 H +ATOM 2303 N LYS A 256 48.656 5.695 44.804 1.00 36.40 N +ATOM 2304 CA LYS A 256 48.504 6.605 43.699 1.00 36.48 C +ATOM 2305 C LYS A 256 47.701 7.827 44.135 1.00 34.91 C +ATOM 2306 O LYS A 256 46.893 7.760 45.078 1.00 34.92 O +ATOM 2307 CB LYS A 256 47.870 5.909 42.505 1.00 40.78 C +ATOM 2308 CG LYS A 256 48.845 4.991 41.781 1.00 46.49 C +ATOM 2309 CD LYS A 256 48.163 4.267 40.631 1.00 52.35 C +ATOM 2310 CE LYS A 256 49.063 3.186 40.038 1.00 55.40 C +ATOM 2311 NZ LYS A 256 48.299 2.264 39.128 1.00 58.33 N +ATOM 2312 H LYS A 256 48.051 4.935 44.905 1.00 0.00 H +ATOM 2313 HZ1 LYS A 256 47.880 2.809 38.346 1.00 0.00 H +ATOM 2314 HZ2 LYS A 256 48.946 1.546 38.742 1.00 0.00 H +ATOM 2315 HZ3 LYS A 256 47.542 1.794 39.665 1.00 0.00 H +ATOM 2316 N VAL A 257 47.962 8.954 43.492 1.00 32.27 N +ATOM 2317 CA VAL A 257 47.302 10.201 43.860 1.00 27.15 C +ATOM 2318 C VAL A 257 46.684 10.852 42.639 1.00 24.90 C +ATOM 2319 O VAL A 257 47.011 10.471 41.505 1.00 24.26 O +ATOM 2320 CB VAL A 257 48.303 11.195 44.542 1.00 24.03 C +ATOM 2321 CG1 VAL A 257 48.871 10.589 45.809 1.00 22.92 C +ATOM 2322 CG2 VAL A 257 49.429 11.573 43.588 1.00 24.22 C +ATOM 2323 H VAL A 257 48.613 8.949 42.753 1.00 0.00 H +ATOM 2324 N GLN A 258 45.768 11.806 42.878 1.00 24.03 N +ATOM 2325 CA GLN A 258 45.153 12.569 41.783 1.00 24.26 C +ATOM 2326 C GLN A 258 46.182 13.540 41.210 1.00 21.75 C +ATOM 2327 O GLN A 258 47.059 14.000 41.940 1.00 21.10 O +ATOM 2328 CB GLN A 258 43.960 13.365 42.296 1.00 27.13 C +ATOM 2329 CG GLN A 258 42.996 12.573 43.156 1.00 37.40 C +ATOM 2330 CD GLN A 258 41.736 13.360 43.504 1.00 43.32 C +ATOM 2331 OE1 GLN A 258 41.031 13.046 44.479 1.00 47.35 O +ATOM 2332 NE2 GLN A 258 41.437 14.396 42.710 1.00 45.21 N +ATOM 2333 H GLN A 258 45.506 11.996 43.802 1.00 0.00 H +ATOM 2334 HE21 GLN A 258 40.658 14.949 42.935 1.00 0.00 H +ATOM 2335 HE22 GLN A 258 42.004 14.563 41.935 1.00 0.00 H +ATOM 2336 N ALA A 259 46.073 13.851 39.929 1.00 19.94 N +ATOM 2337 CA ALA A 259 47.005 14.782 39.292 1.00 20.62 C +ATOM 2338 C ALA A 259 46.738 16.239 39.705 1.00 20.98 C +ATOM 2339 O ALA A 259 47.614 17.098 39.579 1.00 18.79 O +ATOM 2340 CB ALA A 259 46.915 14.653 37.779 1.00 19.97 C +ATOM 2341 H ALA A 259 45.362 13.442 39.392 1.00 0.00 H +ATOM 2342 N LYS A 260 45.543 16.499 40.220 1.00 21.44 N +ATOM 2343 CA LYS A 260 45.143 17.841 40.578 1.00 22.29 C +ATOM 2344 C LYS A 260 44.246 17.796 41.800 1.00 24.07 C +ATOM 2345 O LYS A 260 43.310 17.008 41.848 1.00 24.62 O +ATOM 2346 CB LYS A 260 44.383 18.432 39.397 1.00 25.80 C +ATOM 2347 CG LYS A 260 44.761 19.845 39.006 1.00 33.42 C +ATOM 2348 CD LYS A 260 44.335 20.862 40.053 1.00 39.75 C +ATOM 2349 CE LYS A 260 44.359 22.277 39.484 1.00 42.11 C +ATOM 2350 NZ LYS A 260 43.840 23.286 40.463 1.00 45.59 N +ATOM 2351 H LYS A 260 44.918 15.767 40.363 1.00 0.00 H +ATOM 2352 HZ1 LYS A 260 42.859 23.054 40.718 1.00 0.00 H +ATOM 2353 HZ2 LYS A 260 44.431 23.280 41.318 1.00 0.00 H +ATOM 2354 HZ3 LYS A 260 43.869 24.232 40.029 1.00 0.00 H +ATOM 2355 N TYR A 261 44.559 18.619 42.788 1.00 23.72 N +ATOM 2356 CA TYR A 261 43.762 18.730 44.000 1.00 23.24 C +ATOM 2357 C TYR A 261 43.360 20.182 44.188 1.00 23.87 C +ATOM 2358 O TYR A 261 44.215 21.050 44.352 1.00 22.99 O +ATOM 2359 CB TYR A 261 44.550 18.284 45.230 1.00 22.81 C +ATOM 2360 CG TYR A 261 44.785 16.800 45.336 1.00 26.02 C +ATOM 2361 CD1 TYR A 261 43.775 15.948 45.778 1.00 26.70 C +ATOM 2362 CD2 TYR A 261 46.013 16.242 44.977 1.00 26.40 C +ATOM 2363 CE1 TYR A 261 43.983 14.577 45.866 1.00 28.46 C +ATOM 2364 CE2 TYR A 261 46.232 14.876 45.063 1.00 28.93 C +ATOM 2365 CZ TYR A 261 45.211 14.046 45.506 1.00 30.76 C +ATOM 2366 OH TYR A 261 45.422 12.686 45.600 1.00 29.48 O +ATOM 2367 H TYR A 261 45.359 19.181 42.699 1.00 0.00 H +ATOM 2368 HH TYR A 261 46.363 12.504 45.536 1.00 0.00 H +ATOM 2369 N PRO A 262 42.061 20.480 44.108 1.00 25.50 N +ATOM 2370 CA PRO A 262 41.556 21.838 44.277 1.00 24.52 C +ATOM 2371 C PRO A 262 41.382 22.208 45.746 1.00 23.55 C +ATOM 2372 O PRO A 262 41.156 21.343 46.605 1.00 24.26 O +ATOM 2373 CB PRO A 262 40.234 21.797 43.535 1.00 27.34 C +ATOM 2374 CG PRO A 262 39.741 20.427 43.861 1.00 28.71 C +ATOM 2375 CD PRO A 262 40.964 19.544 43.766 1.00 27.19 C +ATOM 2376 N VAL A 263 41.527 23.491 46.028 1.00 20.38 N +ATOM 2377 CA VAL A 263 41.333 24.007 47.370 1.00 19.64 C +ATOM 2378 C VAL A 263 40.310 25.112 47.224 1.00 18.99 C +ATOM 2379 O VAL A 263 40.392 25.887 46.278 1.00 19.06 O +ATOM 2380 CB VAL A 263 42.652 24.575 47.961 1.00 20.99 C +ATOM 2381 CG1 VAL A 263 42.469 24.896 49.433 1.00 20.77 C +ATOM 2382 CG2 VAL A 263 43.787 23.578 47.787 1.00 20.79 C +ATOM 2383 H VAL A 263 41.763 24.116 45.309 1.00 0.00 H +ATOM 2384 N ASP A 264 39.344 25.170 48.126 1.00 17.56 N +ATOM 2385 CA ASP A 264 38.223 26.105 47.979 1.00 20.23 C +ATOM 2386 C ASP A 264 38.573 27.585 48.198 1.00 17.73 C +ATOM 2387 O ASP A 264 39.471 27.916 48.979 1.00 16.22 O +ATOM 2388 CB ASP A 264 37.068 25.719 48.930 1.00 24.90 C +ATOM 2389 CG ASP A 264 36.399 24.377 48.613 1.00 31.68 C +ATOM 2390 OD1 ASP A 264 36.289 24.018 47.413 1.00 33.16 O +ATOM 2391 OD2 ASP A 264 35.974 23.684 49.573 1.00 35.55 O +ATOM 2392 H ASP A 264 39.372 24.572 48.903 1.00 0.00 H +ATOM 2393 N LEU A 265 37.807 28.440 47.500 1.00 16.70 N +ATOM 2394 CA LEU A 265 37.884 29.900 47.632 1.00 17.64 C +ATOM 2395 C LEU A 265 36.634 30.391 48.371 1.00 19.02 C +ATOM 2396 O LEU A 265 35.586 29.742 48.317 1.00 19.19 O +ATOM 2397 CB LEU A 265 37.879 30.582 46.250 1.00 18.92 C +ATOM 2398 CG LEU A 265 39.028 30.300 45.289 1.00 17.24 C +ATOM 2399 CD1 LEU A 265 38.698 30.874 43.937 1.00 18.51 C +ATOM 2400 CD2 LEU A 265 40.322 30.884 45.817 1.00 19.55 C +ATOM 2401 H LEU A 265 37.155 28.068 46.869 1.00 0.00 H +ATOM 2402 N LYS A 266 36.737 31.545 49.017 1.00 16.60 N +ATOM 2403 CA LYS A 266 35.596 32.150 49.696 1.00 17.72 C +ATOM 2404 C LYS A 266 35.642 33.681 49.588 1.00 17.59 C +ATOM 2405 O LYS A 266 36.657 34.305 49.888 1.00 17.19 O +ATOM 2406 CB LYS A 266 35.607 31.748 51.168 1.00 19.76 C +ATOM 2407 CG LYS A 266 34.473 32.334 51.973 1.00 29.09 C +ATOM 2408 CD LYS A 266 34.462 31.797 53.393 1.00 35.98 C +ATOM 2409 CE LYS A 266 35.050 32.799 54.378 1.00 40.90 C +ATOM 2410 NZ LYS A 266 36.483 33.094 54.099 1.00 44.12 N +ATOM 2411 H LYS A 266 37.606 31.998 49.050 1.00 0.00 H +ATOM 2412 HZ1 LYS A 266 37.035 32.213 54.148 1.00 0.00 H +ATOM 2413 HZ2 LYS A 266 36.573 33.508 53.150 1.00 0.00 H +ATOM 2414 HZ3 LYS A 266 36.840 33.768 54.805 1.00 0.00 H +ATOM 2415 N LEU A 267 34.570 34.288 49.138 1.00 17.45 N +ATOM 2416 CA LEU A 267 34.522 35.746 49.128 1.00 19.48 C +ATOM 2417 C LEU A 267 34.400 36.256 50.557 1.00 20.86 C +ATOM 2418 O LEU A 267 33.545 35.787 51.333 1.00 22.57 O +ATOM 2419 CB LEU A 267 33.337 36.261 48.306 1.00 19.94 C +ATOM 2420 CG LEU A 267 33.117 37.787 48.321 1.00 20.94 C +ATOM 2421 CD1 LEU A 267 34.274 38.493 47.633 1.00 17.21 C +ATOM 2422 CD2 LEU A 267 31.799 38.129 47.645 1.00 19.81 C +ATOM 2423 H LEU A 267 33.807 33.766 48.810 1.00 0.00 H +ATOM 2424 N VAL A 268 35.245 37.199 50.919 1.00 19.89 N +ATOM 2425 CA VAL A 268 35.195 37.763 52.265 1.00 18.93 C +ATOM 2426 C VAL A 268 34.832 39.237 52.226 1.00 21.80 C +ATOM 2427 O VAL A 268 35.477 40.054 51.531 1.00 17.79 O +ATOM 2428 CB VAL A 268 36.536 37.570 53.002 1.00 19.64 C +ATOM 2429 CG1 VAL A 268 36.510 38.256 54.358 1.00 19.69 C +ATOM 2430 CG2 VAL A 268 36.803 36.080 53.170 1.00 19.54 C +ATOM 2431 H VAL A 268 35.911 37.526 50.280 1.00 0.00 H +ATOM 2432 N VAL A 269 33.777 39.566 52.953 1.00 23.06 N +ATOM 2433 CA VAL A 269 33.308 40.937 53.052 1.00 26.66 C +ATOM 2434 C VAL A 269 33.036 41.239 54.530 1.00 29.58 C +ATOM 2435 O VAL A 269 32.931 40.318 55.341 1.00 30.51 O +ATOM 2436 CB VAL A 269 32.017 41.137 52.210 1.00 27.78 C +ATOM 2437 CG1 VAL A 269 32.280 40.801 50.747 1.00 25.76 C +ATOM 2438 CG2 VAL A 269 30.890 40.267 52.748 1.00 26.98 C +ATOM 2439 H VAL A 269 33.304 38.867 53.459 1.00 0.00 H +ATOM 2440 N LYS A 270 32.984 42.495 54.904 1.00 33.44 N +ATOM 2441 CA LYS A 270 32.711 42.827 56.308 1.00 39.82 C +ATOM 2442 C LYS A 270 31.273 42.437 56.676 1.00 42.74 C +ATOM 2443 O LYS A 270 30.358 42.666 55.871 1.00 41.04 O +ATOM 2444 CB LYS A 270 32.913 44.319 56.564 1.00 39.86 C +ATOM 2445 CG LYS A 270 33.030 44.671 58.037 1.00 43.02 C +ATOM 2446 CD LYS A 270 32.936 46.180 58.261 1.00 47.67 C +ATOM 2447 CE LYS A 270 33.306 46.561 59.696 1.00 49.85 C +ATOM 2448 NZ LYS A 270 32.596 45.715 60.711 1.00 53.34 N +ATOM 2449 H LYS A 270 33.143 43.203 54.253 1.00 0.00 H +ATOM 2450 HZ1 LYS A 270 31.568 45.810 60.583 1.00 0.00 H +ATOM 2451 HZ2 LYS A 270 32.869 44.720 60.584 1.00 0.00 H +ATOM 2452 HZ3 LYS A 270 32.860 46.026 61.668 1.00 0.00 H +ATOM 2453 N GLN A 271 31.101 41.889 57.901 1.00 46.11 N +ATOM 2454 CA GLN A 271 29.782 41.425 58.406 1.00 51.92 C +ATOM 2455 C GLN A 271 29.435 40.032 57.891 1.00 54.84 C +ATOM 2456 O GLN A 271 28.989 39.939 56.710 1.00 57.62 O +ATOM 2457 CB GLN A 271 28.628 42.386 58.032 1.00 52.73 C +ATOM 2458 CG GLN A 271 28.056 43.159 59.196 1.00 55.68 C +ATOM 2459 CD GLN A 271 29.099 44.053 59.840 1.00 58.12 C +ATOM 2460 OE1 GLN A 271 29.154 45.258 59.566 1.00 60.77 O +ATOM 2461 NE2 GLN A 271 29.943 43.478 60.700 1.00 58.84 N +ATOM 2462 OXT GLN A 271 29.595 39.047 58.679 1.00 58.13 O +ATOM 2463 H GLN A 271 31.882 41.795 58.482 1.00 0.00 H +ATOM 2464 HE21 GLN A 271 30.604 44.046 61.141 1.00 0.00 H +ATOM 2465 HE22 GLN A 271 29.866 42.512 60.858 1.00 0.00 H +TER 2466 GLN A 271 +END diff --git a/bench/main_benchmark/structures/SFB_AL_SRC_2SRCA_1Y57A/state_a.pdb b/bench/main_benchmark/structures/SFB_AL_SRC_2SRCA_1Y57A/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..f8e54ec4e75f4cac1cb6c3eb84bb9a6f3d7ec103 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_SRC_2SRCA_1Y57A/state_a.pdb @@ -0,0 +1,3601 @@ +ATOM 1 N THR A 84 33.954 62.803 55.198 1.00 38.76 N +ATOM 2 CA THR A 84 32.735 62.188 54.583 1.00 39.76 C +ATOM 3 C THR A 84 32.941 60.717 54.186 1.00 37.91 C +ATOM 4 O THR A 84 32.021 60.068 53.678 1.00 36.13 O +ATOM 5 CB THR A 84 32.285 62.973 53.319 1.00 41.34 C +ATOM 6 OG1 THR A 84 33.424 63.240 52.489 1.00 41.84 O +ATOM 7 CG2 THR A 84 31.616 64.288 53.711 1.00 40.28 C +ATOM 8 N THR A 85 34.140 60.192 54.419 1.00 35.88 N +ATOM 9 CA THR A 85 34.437 58.806 54.075 1.00 34.00 C +ATOM 10 C THR A 85 34.001 57.804 55.154 1.00 33.76 C +ATOM 11 O THR A 85 33.807 58.168 56.320 1.00 30.78 O +ATOM 12 CB THR A 85 35.944 58.610 53.814 1.00 36.09 C +ATOM 13 OG1 THR A 85 36.671 58.783 55.036 1.00 39.72 O +ATOM 14 CG2 THR A 85 36.445 59.611 52.790 1.00 37.48 C +ATOM 15 N PHE A 86 33.832 56.547 54.746 1.00 28.75 N +ATOM 16 CA PHE A 86 33.449 55.480 55.665 1.00 25.99 C +ATOM 17 C PHE A 86 34.625 54.522 55.755 1.00 24.12 C +ATOM 18 O PHE A 86 35.606 54.655 55.013 1.00 23.08 O +ATOM 19 CB PHE A 86 32.223 54.724 55.157 1.00 24.62 C +ATOM 20 CG PHE A 86 30.915 55.310 55.598 1.00 23.17 C +ATOM 21 CD1 PHE A 86 30.463 56.515 55.066 1.00 26.21 C +ATOM 22 CD2 PHE A 86 30.108 54.636 56.508 1.00 25.23 C +ATOM 23 CE1 PHE A 86 29.218 57.039 55.432 1.00 24.64 C +ATOM 24 CE2 PHE A 86 28.858 55.150 56.885 1.00 26.97 C +ATOM 25 CZ PHE A 86 28.414 56.352 56.342 1.00 28.54 C +ATOM 26 N VAL A 87 34.533 53.566 56.672 1.00 23.62 N +ATOM 27 CA VAL A 87 35.593 52.580 56.854 1.00 23.37 C +ATOM 28 C VAL A 87 34.983 51.188 57.020 1.00 21.41 C +ATOM 29 O VAL A 87 33.925 51.029 57.632 1.00 19.70 O +ATOM 30 CB VAL A 87 36.471 52.926 58.087 1.00 25.01 C +ATOM 31 CG1 VAL A 87 35.672 52.736 59.377 1.00 25.81 C +ATOM 32 CG2 VAL A 87 37.724 52.072 58.087 1.00 23.75 C +ATOM 33 N ALA A 88 35.647 50.187 56.451 1.00 20.93 N +ATOM 34 CA ALA A 88 35.167 48.812 56.538 1.00 23.09 C +ATOM 35 C ALA A 88 35.484 48.210 57.908 1.00 18.55 C +ATOM 36 O ALA A 88 36.620 48.284 58.383 1.00 16.71 O +ATOM 37 CB ALA A 88 35.798 47.966 55.443 1.00 20.43 C +ATOM 38 N LEU A 89 34.467 47.621 58.529 1.00 19.97 N +ATOM 39 CA LEU A 89 34.614 47.000 59.836 1.00 20.00 C +ATOM 40 C LEU A 89 35.039 45.546 59.709 1.00 20.85 C +ATOM 41 O LEU A 89 35.639 44.990 60.628 1.00 21.75 O +ATOM 42 CB LEU A 89 33.298 47.103 60.606 1.00 22.49 C +ATOM 43 CG LEU A 89 32.773 48.538 60.750 1.00 22.30 C +ATOM 44 CD1 LEU A 89 31.372 48.534 61.331 1.00 20.82 C +ATOM 45 CD2 LEU A 89 33.728 49.331 61.626 1.00 18.34 C +ATOM 46 N TYR A 90 34.733 44.934 58.567 1.00 22.38 N +ATOM 47 CA TYR A 90 35.094 43.542 58.307 1.00 22.04 C +ATOM 48 C TYR A 90 35.534 43.372 56.865 1.00 21.97 C +ATOM 49 O TYR A 90 35.408 44.290 56.063 1.00 24.75 O +ATOM 50 CB TYR A 90 33.905 42.605 58.539 1.00 20.98 C +ATOM 51 CG TYR A 90 33.015 42.975 59.698 1.00 25.88 C +ATOM 52 CD1 TYR A 90 33.270 42.485 60.978 1.00 25.83 C +ATOM 53 CD2 TYR A 90 31.917 43.822 59.520 1.00 25.11 C +ATOM 54 CE1 TYR A 90 32.459 42.830 62.050 1.00 22.69 C +ATOM 55 CE2 TYR A 90 31.099 44.172 60.587 1.00 24.83 C +ATOM 56 CZ TYR A 90 31.381 43.671 61.849 1.00 27.24 C +ATOM 57 OH TYR A 90 30.586 44.014 62.915 1.00 35.67 O +ATOM 58 N ASP A 91 36.050 42.185 56.556 1.00 25.14 N +ATOM 59 CA ASP A 91 36.476 41.818 55.203 1.00 22.75 C +ATOM 60 C ASP A 91 35.197 41.370 54.511 1.00 21.32 C +ATOM 61 O ASP A 91 34.347 40.744 55.140 1.00 19.52 O +ATOM 62 CB ASP A 91 37.391 40.596 55.218 1.00 24.66 C +ATOM 63 CG ASP A 91 38.799 40.910 55.634 1.00 29.49 C +ATOM 64 OD1 ASP A 91 39.202 42.086 55.581 1.00 31.48 O +ATOM 65 OD2 ASP A 91 39.511 39.956 56.011 1.00 36.35 O +ATOM 66 N TYR A 92 35.051 41.673 53.229 1.00 20.02 N +ATOM 67 CA TYR A 92 33.869 41.222 52.502 1.00 19.74 C +ATOM 68 C TYR A 92 34.280 40.700 51.131 1.00 20.99 C +ATOM 69 O TYR A 92 35.025 41.354 50.404 1.00 23.49 O +ATOM 70 CB TYR A 92 32.850 42.351 52.334 1.00 18.08 C +ATOM 71 CG TYR A 92 31.657 41.972 51.474 1.00 18.94 C +ATOM 72 CD1 TYR A 92 30.621 41.198 51.990 1.00 15.94 C +ATOM 73 CD2 TYR A 92 31.568 42.382 50.138 1.00 18.73 C +ATOM 74 CE1 TYR A 92 29.528 40.837 51.208 1.00 17.20 C +ATOM 75 CE2 TYR A 92 30.476 42.026 49.344 1.00 17.82 C +ATOM 76 CZ TYR A 92 29.462 41.253 49.885 1.00 19.39 C +ATOM 77 OH TYR A 92 28.384 40.888 49.115 1.00 19.46 O +ATOM 78 N GLU A 93 33.803 39.512 50.785 1.00 20.75 N +ATOM 79 CA GLU A 93 34.115 38.927 49.492 1.00 24.04 C +ATOM 80 C GLU A 93 32.956 39.152 48.522 1.00 21.54 C +ATOM 81 O GLU A 93 31.794 38.916 48.852 1.00 18.19 O +ATOM 82 CB GLU A 93 34.390 37.431 49.641 1.00 31.98 C +ATOM 83 CG GLU A 93 35.856 37.061 49.525 1.00 46.50 C +ATOM 84 CD GLU A 93 36.445 37.456 48.176 1.00 55.46 C +ATOM 85 OE1 GLU A 93 35.748 37.293 47.147 1.00 57.59 O +ATOM 86 OE2 GLU A 93 37.604 37.933 48.147 1.00 57.81 O +ATOM 87 N SER A 94 33.279 39.617 47.323 1.00 19.44 N +ATOM 88 CA SER A 94 32.267 39.864 46.305 1.00 21.55 C +ATOM 89 C SER A 94 31.497 38.584 45.968 1.00 18.87 C +ATOM 90 O SER A 94 32.088 37.522 45.783 1.00 22.38 O +ATOM 91 CB SER A 94 32.930 40.415 45.036 1.00 19.57 C +ATOM 92 OG SER A 94 32.037 40.352 43.940 1.00 25.38 O +ATOM 93 N ARG A 95 30.178 38.698 45.878 1.00 20.39 N +ATOM 94 CA ARG A 95 29.319 37.560 45.563 1.00 21.98 C +ATOM 95 C ARG A 95 28.683 37.674 44.184 1.00 20.45 C +ATOM 96 O ARG A 95 28.151 36.699 43.662 1.00 17.95 O +ATOM 97 CB ARG A 95 28.200 37.442 46.596 1.00 21.74 C +ATOM 98 CG ARG A 95 28.639 37.672 48.022 1.00 20.11 C +ATOM 99 CD ARG A 95 27.428 37.759 48.927 1.00 19.98 C +ATOM 100 NE ARG A 95 27.792 37.622 50.329 1.00 20.65 N +ATOM 101 CZ ARG A 95 26.941 37.763 51.337 1.00 16.50 C +ATOM 102 NH1 ARG A 95 25.666 38.046 51.106 1.00 14.86 N +ATOM 103 NH2 ARG A 95 27.371 37.625 52.578 1.00 17.14 N +ATOM 104 N THR A 96 28.710 38.875 43.612 1.00 23.48 N +ATOM 105 CA THR A 96 28.121 39.102 42.301 1.00 21.89 C +ATOM 106 C THR A 96 29.005 39.943 41.399 1.00 23.17 C +ATOM 107 O THR A 96 30.118 40.324 41.752 1.00 22.36 O +ATOM 108 CB THR A 96 26.741 39.807 42.390 1.00 23.07 C +ATOM 109 OG1 THR A 96 26.931 41.199 42.661 1.00 24.11 O +ATOM 110 CG2 THR A 96 25.881 39.197 43.484 1.00 21.02 C +ATOM 111 N GLU A 97 28.468 40.230 40.224 1.00 26.47 N +ATOM 112 CA GLU A 97 29.140 41.019 39.205 1.00 29.05 C +ATOM 113 C GLU A 97 29.101 42.510 39.524 1.00 26.78 C +ATOM 114 O GLU A 97 29.938 43.276 39.047 1.00 25.68 O +ATOM 115 CB GLU A 97 28.443 40.774 37.864 1.00 34.39 C +ATOM 116 CG GLU A 97 29.149 41.343 36.664 1.00 45.45 C +ATOM 117 CD GLU A 97 30.182 40.385 36.111 1.00 53.87 C +ATOM 118 OE1 GLU A 97 30.399 39.322 36.740 1.00 55.21 O +ATOM 119 OE2 GLU A 97 30.774 40.698 35.054 1.00 57.33 O +ATOM 120 N THR A 98 28.134 42.923 40.339 1.00 25.26 N +ATOM 121 CA THR A 98 27.983 44.331 40.650 1.00 21.97 C +ATOM 122 C THR A 98 28.294 44.804 42.066 1.00 23.66 C +ATOM 123 O THR A 98 28.057 45.971 42.384 1.00 18.14 O +ATOM 124 CB THR A 98 26.575 44.796 40.284 1.00 22.67 C +ATOM 125 OG1 THR A 98 25.622 43.875 40.815 1.00 22.82 O +ATOM 126 CG2 THR A 98 26.408 44.835 38.765 1.00 20.09 C +ATOM 127 N ASP A 99 28.816 43.930 42.924 1.00 23.12 N +ATOM 128 CA ASP A 99 29.144 44.392 44.262 1.00 23.67 C +ATOM 129 C ASP A 99 30.634 44.598 44.387 1.00 22.26 C +ATOM 130 O ASP A 99 31.394 44.267 43.488 1.00 22.97 O +ATOM 131 CB ASP A 99 28.608 43.446 45.350 1.00 22.86 C +ATOM 132 CG ASP A 99 29.162 42.052 45.259 1.00 26.00 C +ATOM 133 OD1 ASP A 99 29.984 41.768 44.364 1.00 28.61 O +ATOM 134 OD2 ASP A 99 28.763 41.223 46.104 1.00 27.89 O +ATOM 135 N LEU A 100 31.052 45.156 45.509 1.00 24.34 N +ATOM 136 CA LEU A 100 32.452 45.451 45.719 1.00 22.07 C +ATOM 137 C LEU A 100 33.061 44.725 46.909 1.00 23.63 C +ATOM 138 O LEU A 100 32.514 44.754 48.009 1.00 23.96 O +ATOM 139 CB LEU A 100 32.600 46.960 45.900 1.00 23.29 C +ATOM 140 CG LEU A 100 33.898 47.527 46.450 1.00 20.33 C +ATOM 141 CD1 LEU A 100 34.973 47.437 45.385 1.00 22.82 C +ATOM 142 CD2 LEU A 100 33.675 48.976 46.885 1.00 21.51 C +ATOM 143 N SER A 101 34.201 44.082 46.671 1.00 23.80 N +ATOM 144 CA SER A 101 34.943 43.361 47.704 1.00 24.56 C +ATOM 145 C SER A 101 35.828 44.371 48.431 1.00 24.51 C +ATOM 146 O SER A 101 36.267 45.355 47.838 1.00 23.86 O +ATOM 147 CB SER A 101 35.857 42.302 47.075 1.00 25.67 C +ATOM 148 OG SER A 101 35.158 41.111 46.774 1.00 35.72 O +ATOM 149 N PHE A 102 36.100 44.129 49.708 1.00 21.87 N +ATOM 150 CA PHE A 102 36.968 45.018 50.468 1.00 18.36 C +ATOM 151 C PHE A 102 37.520 44.310 51.691 1.00 19.95 C +ATOM 152 O PHE A 102 37.015 43.261 52.107 1.00 18.05 O +ATOM 153 CB PHE A 102 36.230 46.301 50.883 1.00 15.39 C +ATOM 154 CG PHE A 102 34.939 46.062 51.627 1.00 17.29 C +ATOM 155 CD1 PHE A 102 34.932 45.894 53.008 1.00 18.80 C +ATOM 156 CD2 PHE A 102 33.722 46.038 50.948 1.00 17.46 C +ATOM 157 CE1 PHE A 102 33.728 45.708 53.700 1.00 18.47 C +ATOM 158 CE2 PHE A 102 32.511 45.852 51.628 1.00 17.31 C +ATOM 159 CZ PHE A 102 32.513 45.687 53.008 1.00 18.06 C +ATOM 160 N LYS A 103 38.576 44.884 52.250 1.00 20.68 N +ATOM 161 CA LYS A 103 39.218 44.331 53.424 1.00 22.78 C +ATOM 162 C LYS A 103 39.012 45.274 54.598 1.00 24.03 C +ATOM 163 O LYS A 103 38.872 46.483 54.424 1.00 22.60 O +ATOM 164 CB LYS A 103 40.711 44.124 53.157 1.00 27.31 C +ATOM 165 CG LYS A 103 41.637 44.547 54.293 1.00 38.68 C +ATOM 166 CD LYS A 103 42.812 43.575 54.455 1.00 44.45 C +ATOM 167 CE LYS A 103 43.852 44.092 55.452 1.00 47.79 C +ATOM 168 NZ LYS A 103 43.248 44.573 56.736 1.00 47.98 N +ATOM 169 N LYS A 104 38.970 44.702 55.792 1.00 24.72 N +ATOM 170 CA LYS A 104 38.796 45.468 57.016 1.00 24.65 C +ATOM 171 C LYS A 104 39.759 46.656 57.030 1.00 23.49 C +ATOM 172 O LYS A 104 40.937 46.501 56.728 1.00 25.64 O +ATOM 173 CB LYS A 104 39.069 44.563 58.216 1.00 21.15 C +ATOM 174 CG LYS A 104 39.119 45.277 59.540 1.00 21.77 C +ATOM 175 CD LYS A 104 39.182 44.272 60.662 1.00 22.28 C +ATOM 176 CE LYS A 104 39.196 44.960 62.001 1.00 27.90 C +ATOM 177 NZ LYS A 104 39.345 43.965 63.096 1.00 35.99 N +ATOM 178 N GLY A 105 39.255 47.841 57.360 1.00 23.79 N +ATOM 179 CA GLY A 105 40.126 49.004 57.409 1.00 26.77 C +ATOM 180 C GLY A 105 40.227 49.826 56.132 1.00 27.73 C +ATOM 181 O GLY A 105 40.820 50.907 56.135 1.00 27.29 O +ATOM 182 N GLU A 106 39.660 49.320 55.042 1.00 29.01 N +ATOM 183 CA GLU A 106 39.676 50.027 53.763 1.00 29.02 C +ATOM 184 C GLU A 106 38.757 51.233 53.866 1.00 27.74 C +ATOM 185 O GLU A 106 37.688 51.150 54.472 1.00 27.88 O +ATOM 186 CB GLU A 106 39.173 49.107 52.645 1.00 29.26 C +ATOM 187 CG GLU A 106 39.497 49.570 51.228 1.00 30.57 C +ATOM 188 CD GLU A 106 39.318 48.458 50.197 1.00 31.58 C +ATOM 189 OE1 GLU A 106 39.585 47.284 50.534 1.00 25.60 O +ATOM 190 OE2 GLU A 106 38.911 48.752 49.050 1.00 32.73 O +ATOM 191 N ARG A 107 39.174 52.350 53.274 1.00 28.02 N +ATOM 192 CA ARG A 107 38.380 53.573 53.280 1.00 29.01 C +ATOM 193 C ARG A 107 37.474 53.573 52.059 1.00 27.65 C +ATOM 194 O ARG A 107 37.915 53.274 50.949 1.00 29.49 O +ATOM 195 CB ARG A 107 39.291 54.793 53.248 1.00 34.84 C +ATOM 196 CG ARG A 107 39.115 55.705 54.439 1.00 46.02 C +ATOM 197 CD ARG A 107 40.393 56.476 54.722 1.00 54.20 C +ATOM 198 NE ARG A 107 40.791 57.332 53.603 1.00 59.61 N +ATOM 199 CZ ARG A 107 40.279 58.535 53.353 1.00 62.36 C +ATOM 200 NH1 ARG A 107 39.335 59.042 54.138 1.00 63.25 N +ATOM 201 NH2 ARG A 107 40.709 59.235 52.310 1.00 64.54 N +ATOM 202 N LEU A 108 36.208 53.913 52.255 1.00 27.60 N +ATOM 203 CA LEU A 108 35.263 53.906 51.152 1.00 28.42 C +ATOM 204 C LEU A 108 34.391 55.139 51.086 1.00 29.80 C +ATOM 205 O LEU A 108 34.013 55.703 52.111 1.00 31.09 O +ATOM 206 CB LEU A 108 34.357 52.676 51.249 1.00 29.17 C +ATOM 207 CG LEU A 108 35.024 51.347 51.612 1.00 28.55 C +ATOM 208 CD1 LEU A 108 34.047 50.481 52.384 1.00 27.47 C +ATOM 209 CD2 LEU A 108 35.491 50.654 50.344 1.00 26.42 C +ATOM 210 N GLN A 109 34.064 55.543 49.865 1.00 26.83 N +ATOM 211 CA GLN A 109 33.202 56.688 49.644 1.00 25.71 C +ATOM 212 C GLN A 109 31.828 56.183 49.218 1.00 26.49 C +ATOM 213 O GLN A 109 31.698 55.554 48.172 1.00 31.17 O +ATOM 214 CB GLN A 109 33.781 57.587 48.545 1.00 23.78 C +ATOM 215 CG GLN A 109 33.014 58.881 48.342 1.00 24.20 C +ATOM 216 CD GLN A 109 33.349 59.929 49.392 1.00 22.77 C +ATOM 217 OE1 GLN A 109 32.498 60.723 49.787 1.00 23.39 O +ATOM 218 NE2 GLN A 109 34.591 59.931 49.847 1.00 22.20 N +ATOM 219 N ILE A 110 30.806 56.434 50.032 1.00 22.95 N +ATOM 220 CA ILE A 110 29.456 56.014 49.681 1.00 24.36 C +ATOM 221 C ILE A 110 28.965 57.019 48.632 1.00 28.65 C +ATOM 222 O ILE A 110 28.565 58.140 48.961 1.00 25.68 O +ATOM 223 CB ILE A 110 28.503 56.040 50.899 1.00 22.62 C +ATOM 224 CG1 ILE A 110 29.119 55.274 52.077 1.00 23.69 C +ATOM 225 CG2 ILE A 110 27.161 55.449 50.520 1.00 22.99 C +ATOM 226 CD1 ILE A 110 29.565 53.859 51.760 1.00 22.52 C +ATOM 227 N VAL A 111 29.006 56.604 47.367 1.00 30.03 N +ATOM 228 CA VAL A 111 28.606 57.454 46.249 1.00 27.29 C +ATOM 229 C VAL A 111 27.118 57.392 45.912 1.00 27.44 C +ATOM 230 O VAL A 111 26.672 57.894 44.881 1.00 25.06 O +ATOM 231 CB VAL A 111 29.457 57.120 45.010 1.00 26.22 C +ATOM 232 CG1 VAL A 111 30.925 57.314 45.347 1.00 25.22 C +ATOM 233 CG2 VAL A 111 29.214 55.687 44.572 1.00 21.26 C +ATOM 234 N ASN A 112 26.352 56.787 46.806 1.00 29.95 N +ATOM 235 CA ASN A 112 24.906 56.665 46.656 1.00 35.70 C +ATOM 236 C ASN A 112 24.420 55.808 47.819 1.00 39.87 C +ATOM 237 O ASN A 112 24.739 54.619 47.905 1.00 39.79 O +ATOM 238 CB ASN A 112 24.549 55.998 45.322 1.00 37.04 C +ATOM 239 CG ASN A 112 23.098 56.218 44.927 1.00 36.43 C +ATOM 240 OD1 ASN A 112 22.215 56.299 45.782 1.00 37.46 O +ATOM 241 ND2 ASN A 112 22.845 56.319 43.625 1.00 34.49 N +ATOM 242 N ASN A 113 23.659 56.414 48.721 1.00 43.17 N +ATOM 243 CA ASN A 113 23.152 55.695 49.884 1.00 49.22 C +ATOM 244 C ASN A 113 21.639 55.717 49.912 1.00 48.66 C +ATOM 245 O ASN A 113 21.032 55.481 50.954 1.00 48.30 O +ATOM 246 CB ASN A 113 23.690 56.329 51.169 1.00 55.65 C +ATOM 247 CG ASN A 113 23.521 57.845 51.188 1.00 62.53 C +ATOM 248 OD1 ASN A 113 22.704 58.402 50.448 1.00 66.29 O +ATOM 249 ND2 ASN A 113 24.296 58.519 52.038 1.00 66.09 N +ATOM 250 N THR A 114 21.035 56.006 48.765 1.00 51.13 N +ATOM 251 CA THR A 114 19.583 56.078 48.651 1.00 55.69 C +ATOM 252 C THR A 114 18.893 54.733 48.884 1.00 57.21 C +ATOM 253 O THR A 114 17.696 54.588 48.633 1.00 57.09 O +ATOM 254 CB THR A 114 19.160 56.640 47.266 1.00 56.65 C +ATOM 255 OG1 THR A 114 19.730 55.846 46.218 1.00 56.53 O +ATOM 256 CG2 THR A 114 19.639 58.081 47.114 1.00 57.81 C +ATOM 257 N GLU A 115 19.654 53.757 49.375 1.00 60.69 N +ATOM 258 CA GLU A 115 19.121 52.423 49.651 1.00 61.91 C +ATOM 259 C GLU A 115 18.985 52.191 51.157 1.00 61.16 C +ATOM 260 O GLU A 115 18.857 53.142 51.932 1.00 63.30 O +ATOM 261 CB GLU A 115 20.033 51.351 49.043 1.00 64.19 C +ATOM 262 CG GLU A 115 20.154 51.413 47.523 1.00 63.78 C +ATOM 263 CD GLU A 115 21.342 52.246 47.055 1.00 63.59 C +ATOM 264 OE1 GLU A 115 22.216 52.573 47.889 1.00 59.11 O +ATOM 265 OE2 GLU A 115 21.399 52.576 45.848 1.00 63.33 O +ATOM 266 N GLY A 116 19.017 50.926 51.566 1.00 57.77 N +ATOM 267 CA GLY A 116 18.883 50.608 52.975 1.00 52.88 C +ATOM 268 C GLY A 116 19.953 49.667 53.492 1.00 49.38 C +ATOM 269 O GLY A 116 20.730 50.025 54.379 1.00 49.99 O +ATOM 270 N ASP A 117 19.994 48.458 52.939 1.00 46.99 N +ATOM 271 CA ASP A 117 20.974 47.460 53.359 1.00 42.14 C +ATOM 272 C ASP A 117 22.151 47.332 52.381 1.00 36.31 C +ATOM 273 O ASP A 117 23.216 46.835 52.747 1.00 32.26 O +ATOM 274 CB ASP A 117 20.288 46.099 53.546 1.00 44.48 C +ATOM 275 CG ASP A 117 19.015 46.189 54.387 1.00 47.09 C +ATOM 276 OD1 ASP A 117 18.984 46.975 55.361 1.00 46.65 O +ATOM 277 OD2 ASP A 117 18.042 45.468 54.072 1.00 50.30 O +ATOM 278 N TRP A 118 21.956 47.780 51.142 1.00 32.62 N +ATOM 279 CA TRP A 118 23.015 47.724 50.135 1.00 28.22 C +ATOM 280 C TRP A 118 23.241 49.124 49.569 1.00 27.49 C +ATOM 281 O TRP A 118 22.335 49.736 49.009 1.00 28.13 O +ATOM 282 CB TRP A 118 22.652 46.721 49.023 1.00 23.95 C +ATOM 283 CG TRP A 118 22.603 45.269 49.518 1.00 23.44 C +ATOM 284 CD1 TRP A 118 21.510 44.603 49.998 1.00 22.42 C +ATOM 285 CD2 TRP A 118 23.700 44.343 49.614 1.00 21.84 C +ATOM 286 NE1 TRP A 118 21.855 43.328 50.389 1.00 20.63 N +ATOM 287 CE2 TRP A 118 23.192 43.140 50.162 1.00 20.80 C +ATOM 288 CE3 TRP A 118 25.062 44.412 49.289 1.00 21.20 C +ATOM 289 CZ2 TRP A 118 23.996 42.017 50.395 1.00 21.49 C +ATOM 290 CZ3 TRP A 118 25.865 43.290 49.522 1.00 24.54 C +ATOM 291 CH2 TRP A 118 25.324 42.108 50.069 1.00 21.56 C +ATOM 292 N TRP A 119 24.461 49.627 49.745 1.00 27.70 N +ATOM 293 CA TRP A 119 24.855 50.961 49.286 1.00 25.62 C +ATOM 294 C TRP A 119 25.883 50.886 48.166 1.00 22.08 C +ATOM 295 O TRP A 119 26.728 49.992 48.156 1.00 19.78 O +ATOM 296 CB TRP A 119 25.515 51.747 50.420 1.00 25.14 C +ATOM 297 CG TRP A 119 24.667 52.039 51.605 1.00 26.50 C +ATOM 298 CD1 TRP A 119 23.307 51.945 51.698 1.00 26.91 C +ATOM 299 CD2 TRP A 119 25.125 52.542 52.866 1.00 24.88 C +ATOM 300 NE1 TRP A 119 22.891 52.367 52.941 1.00 27.32 N +ATOM 301 CE2 TRP A 119 23.989 52.740 53.676 1.00 26.66 C +ATOM 302 CE3 TRP A 119 26.393 52.849 53.388 1.00 23.92 C +ATOM 303 CZ2 TRP A 119 24.077 53.233 54.988 1.00 26.44 C +ATOM 304 CZ3 TRP A 119 26.482 53.341 54.690 1.00 25.15 C +ATOM 305 CH2 TRP A 119 25.330 53.527 55.474 1.00 23.98 C +ATOM 306 N LEU A 120 25.835 51.849 47.247 1.00 22.59 N +ATOM 307 CA LEU A 120 26.813 51.906 46.170 1.00 19.11 C +ATOM 308 C LEU A 120 28.040 52.602 46.759 1.00 18.06 C +ATOM 309 O LEU A 120 27.929 53.688 47.324 1.00 21.84 O +ATOM 310 CB LEU A 120 26.259 52.702 44.987 1.00 22.67 C +ATOM 311 CG LEU A 120 27.065 52.612 43.689 1.00 25.24 C +ATOM 312 CD1 LEU A 120 27.181 51.147 43.239 1.00 23.56 C +ATOM 313 CD2 LEU A 120 26.384 53.455 42.622 1.00 20.80 C +ATOM 314 N ALA A 121 29.203 51.972 46.641 1.00 16.70 N +ATOM 315 CA ALA A 121 30.430 52.520 47.197 1.00 19.75 C +ATOM 316 C ALA A 121 31.583 52.533 46.200 1.00 23.06 C +ATOM 317 O ALA A 121 31.555 51.836 45.183 1.00 25.31 O +ATOM 318 CB ALA A 121 30.831 51.719 48.443 1.00 18.88 C +ATOM 319 N HIS A 122 32.606 53.320 46.520 1.00 23.79 N +ATOM 320 CA HIS A 122 33.787 53.462 45.682 1.00 23.98 C +ATOM 321 C HIS A 122 35.003 53.373 46.594 1.00 23.65 C +ATOM 322 O HIS A 122 35.138 54.167 47.523 1.00 25.16 O +ATOM 323 CB HIS A 122 33.739 54.828 44.970 1.00 27.31 C +ATOM 324 CG HIS A 122 34.887 55.080 44.040 1.00 28.86 C +ATOM 325 ND1 HIS A 122 35.442 56.330 43.870 1.00 29.46 N +ATOM 326 CD2 HIS A 122 35.573 54.253 43.217 1.00 31.49 C +ATOM 327 CE1 HIS A 122 36.419 56.262 42.984 1.00 30.18 C +ATOM 328 NE2 HIS A 122 36.519 55.010 42.571 1.00 29.92 N +ATOM 329 N SER A 123 35.877 52.401 46.341 1.00 23.65 N +ATOM 330 CA SER A 123 37.078 52.219 47.155 1.00 27.88 C +ATOM 331 C SER A 123 38.120 53.290 46.854 1.00 30.62 C +ATOM 332 O SER A 123 38.549 53.464 45.710 1.00 32.41 O +ATOM 333 CB SER A 123 37.687 50.826 46.929 1.00 27.95 C +ATOM 334 OG SER A 123 39.004 50.744 47.457 1.00 28.50 O +ATOM 335 N LEU A 124 38.530 54.002 47.896 1.00 29.56 N +ATOM 336 CA LEU A 124 39.510 55.054 47.750 1.00 30.69 C +ATOM 337 C LEU A 124 40.922 54.505 47.551 1.00 31.95 C +ATOM 338 O LEU A 124 41.820 55.235 47.130 1.00 35.25 O +ATOM 339 CB LEU A 124 39.446 55.979 48.970 1.00 29.88 C +ATOM 340 CG LEU A 124 38.098 56.694 49.131 1.00 31.37 C +ATOM 341 CD1 LEU A 124 38.000 57.322 50.511 1.00 33.66 C +ATOM 342 CD2 LEU A 124 37.947 57.756 48.049 1.00 28.42 C +ATOM 343 N SER A 125 41.121 53.218 47.828 1.00 32.82 N +ATOM 344 CA SER A 125 42.446 52.612 47.668 1.00 33.38 C +ATOM 345 C SER A 125 42.606 51.848 46.353 1.00 31.63 C +ATOM 346 O SER A 125 43.674 51.871 45.747 1.00 31.67 O +ATOM 347 CB SER A 125 42.764 51.672 48.845 1.00 33.38 C +ATOM 348 OG SER A 125 41.586 51.222 49.497 1.00 38.17 O +ATOM 349 N THR A 126 41.544 51.179 45.919 1.00 31.26 N +ATOM 350 CA THR A 126 41.582 50.401 44.686 1.00 30.20 C +ATOM 351 C THR A 126 40.947 51.120 43.504 1.00 28.98 C +ATOM 352 O THR A 126 41.303 50.869 42.354 1.00 30.78 O +ATOM 353 CB THR A 126 40.855 49.073 44.868 1.00 27.61 C +ATOM 354 OG1 THR A 126 39.444 49.309 44.939 1.00 29.19 O +ATOM 355 CG2 THR A 126 41.306 48.403 46.147 1.00 30.87 C +ATOM 356 N GLY A 127 40.001 52.007 43.794 1.00 28.44 N +ATOM 357 CA GLY A 127 39.322 52.741 42.746 1.00 28.53 C +ATOM 358 C GLY A 127 38.125 51.977 42.209 1.00 32.33 C +ATOM 359 O GLY A 127 37.392 52.489 41.362 1.00 33.46 O +ATOM 360 N GLN A 128 37.924 50.753 42.701 1.00 34.19 N +ATOM 361 CA GLN A 128 36.802 49.913 42.267 1.00 31.80 C +ATOM 362 C GLN A 128 35.486 50.417 42.845 1.00 29.47 C +ATOM 363 O GLN A 128 35.463 51.029 43.908 1.00 30.12 O +ATOM 364 CB GLN A 128 37.013 48.458 42.706 1.00 36.10 C +ATOM 365 CG GLN A 128 38.402 47.902 42.441 1.00 44.93 C +ATOM 366 CD GLN A 128 38.762 47.907 40.968 1.00 52.80 C +ATOM 367 OE1 GLN A 128 37.912 47.650 40.109 1.00 56.91 O +ATOM 368 NE2 GLN A 128 40.028 48.203 40.666 1.00 55.50 N +ATOM 369 N THR A 129 34.391 50.157 42.143 1.00 26.31 N +ATOM 370 CA THR A 129 33.078 50.587 42.598 1.00 27.37 C +ATOM 371 C THR A 129 32.172 49.375 42.735 1.00 27.05 C +ATOM 372 O THR A 129 32.484 48.308 42.220 1.00 31.71 O +ATOM 373 CB THR A 129 32.439 51.561 41.594 1.00 32.07 C +ATOM 374 OG1 THR A 129 32.190 50.875 40.361 1.00 36.00 O +ATOM 375 CG2 THR A 129 33.366 52.745 41.327 1.00 33.75 C +ATOM 376 N GLY A 130 31.051 49.531 43.429 1.00 24.65 N +ATOM 377 CA GLY A 130 30.145 48.408 43.582 1.00 25.93 C +ATOM 378 C GLY A 130 29.353 48.431 44.869 1.00 23.92 C +ATOM 379 O GLY A 130 29.701 49.162 45.794 1.00 24.89 O +ATOM 380 N TYR A 131 28.290 47.632 44.925 1.00 21.25 N +ATOM 381 CA TYR A 131 27.443 47.563 46.108 1.00 21.73 C +ATOM 382 C TYR A 131 28.115 46.866 47.289 1.00 19.48 C +ATOM 383 O TYR A 131 28.918 45.946 47.125 1.00 16.22 O +ATOM 384 CB TYR A 131 26.130 46.852 45.782 1.00 24.42 C +ATOM 385 CG TYR A 131 25.188 47.690 44.950 1.00 29.63 C +ATOM 386 CD1 TYR A 131 24.550 48.803 45.499 1.00 29.48 C +ATOM 387 CD2 TYR A 131 24.952 47.386 43.608 1.00 26.83 C +ATOM 388 CE1 TYR A 131 23.703 49.595 44.734 1.00 34.92 C +ATOM 389 CE2 TYR A 131 24.108 48.169 42.832 1.00 30.52 C +ATOM 390 CZ TYR A 131 23.486 49.275 43.399 1.00 35.80 C +ATOM 391 OH TYR A 131 22.650 50.065 42.636 1.00 38.38 O +ATOM 392 N ILE A 132 27.776 47.328 48.486 1.00 18.10 N +ATOM 393 CA ILE A 132 28.327 46.764 49.708 1.00 19.69 C +ATOM 394 C ILE A 132 27.235 46.629 50.777 1.00 17.90 C +ATOM 395 O ILE A 132 26.214 47.318 50.729 1.00 16.94 O +ATOM 396 CB ILE A 132 29.447 47.668 50.284 1.00 17.94 C +ATOM 397 CG1 ILE A 132 28.887 49.067 50.556 1.00 22.40 C +ATOM 398 CG2 ILE A 132 30.628 47.736 49.335 1.00 19.15 C +ATOM 399 CD1 ILE A 132 29.408 49.703 51.829 1.00 23.36 C +ATOM 400 N PRO A 133 27.418 45.709 51.736 1.00 15.38 N +ATOM 401 CA PRO A 133 26.397 45.574 52.784 1.00 19.81 C +ATOM 402 C PRO A 133 26.581 46.756 53.765 1.00 18.65 C +ATOM 403 O PRO A 133 27.667 46.951 54.320 1.00 18.75 O +ATOM 404 CB PRO A 133 26.701 44.219 53.424 1.00 16.52 C +ATOM 405 CG PRO A 133 28.104 43.898 53.046 1.00 15.12 C +ATOM 406 CD PRO A 133 28.531 44.760 51.893 1.00 14.97 C +ATOM 407 N SER A 134 25.535 47.552 53.956 1.00 19.81 N +ATOM 408 CA SER A 134 25.637 48.718 54.832 1.00 24.12 C +ATOM 409 C SER A 134 26.114 48.422 56.259 1.00 26.36 C +ATOM 410 O SER A 134 26.724 49.289 56.893 1.00 24.30 O +ATOM 411 CB SER A 134 24.302 49.483 54.871 1.00 20.47 C +ATOM 412 OG SER A 134 23.270 48.733 55.483 1.00 21.68 O +ATOM 413 N ASN A 135 25.860 47.207 56.754 1.00 26.00 N +ATOM 414 CA ASN A 135 26.275 46.827 58.108 1.00 23.25 C +ATOM 415 C ASN A 135 27.730 46.378 58.233 1.00 21.88 C +ATOM 416 O ASN A 135 28.124 45.822 59.256 1.00 23.94 O +ATOM 417 CB ASN A 135 25.347 45.743 58.681 1.00 24.95 C +ATOM 418 CG ASN A 135 25.242 44.506 57.799 1.00 26.44 C +ATOM 419 OD1 ASN A 135 24.928 43.423 58.283 1.00 30.46 O +ATOM 420 ND2 ASN A 135 25.491 44.663 56.512 1.00 31.59 N +ATOM 421 N TYR A 136 28.532 46.641 57.204 1.00 18.83 N +ATOM 422 CA TYR A 136 29.941 46.262 57.224 1.00 16.97 C +ATOM 423 C TYR A 136 30.860 47.485 57.295 1.00 14.32 C +ATOM 424 O TYR A 136 32.080 47.351 57.324 1.00 16.63 O +ATOM 425 CB TYR A 136 30.285 45.438 55.975 1.00 18.90 C +ATOM 426 CG TYR A 136 30.039 43.939 56.098 1.00 17.35 C +ATOM 427 CD1 TYR A 136 28.786 43.437 56.471 1.00 16.86 C +ATOM 428 CD2 TYR A 136 31.060 43.023 55.813 1.00 19.30 C +ATOM 429 CE1 TYR A 136 28.553 42.060 56.558 1.00 16.27 C +ATOM 430 CE2 TYR A 136 30.838 41.645 55.896 1.00 21.11 C +ATOM 431 CZ TYR A 136 29.586 41.173 56.270 1.00 18.69 C +ATOM 432 OH TYR A 136 29.384 39.819 56.370 1.00 21.06 O +ATOM 433 N VAL A 137 30.271 48.676 57.333 1.00 17.32 N +ATOM 434 CA VAL A 137 31.055 49.911 57.383 1.00 19.69 C +ATOM 435 C VAL A 137 30.548 50.888 58.438 1.00 20.30 C +ATOM 436 O VAL A 137 29.415 50.779 58.912 1.00 19.10 O +ATOM 437 CB VAL A 137 31.026 50.677 56.024 1.00 18.58 C +ATOM 438 CG1 VAL A 137 31.588 49.799 54.909 1.00 20.04 C +ATOM 439 CG2 VAL A 137 29.602 51.139 55.718 1.00 12.67 C +ATOM 440 N ALA A 138 31.398 51.851 58.783 1.00 21.41 N +ATOM 441 CA ALA A 138 31.041 52.885 59.752 1.00 23.41 C +ATOM 442 C ALA A 138 31.706 54.194 59.356 1.00 21.94 C +ATOM 443 O ALA A 138 32.767 54.203 58.724 1.00 20.25 O +ATOM 444 CB ALA A 138 31.487 52.490 61.153 1.00 20.76 C +ATOM 445 N PRO A 139 31.084 55.324 59.715 1.00 23.30 N +ATOM 446 CA PRO A 139 31.677 56.616 59.368 1.00 23.05 C +ATOM 447 C PRO A 139 33.081 56.700 59.932 1.00 24.29 C +ATOM 448 O PRO A 139 33.327 56.270 61.056 1.00 26.48 O +ATOM 449 CB PRO A 139 30.732 57.628 60.010 1.00 18.60 C +ATOM 450 CG PRO A 139 29.443 56.905 60.121 1.00 20.55 C +ATOM 451 CD PRO A 139 29.806 55.484 60.422 1.00 20.03 C +ATOM 452 N SER A 140 34.006 57.228 59.144 1.00 24.94 N +ATOM 453 CA SER A 140 35.381 57.373 59.592 1.00 28.22 C +ATOM 454 C SER A 140 35.387 58.228 60.858 1.00 31.36 C +ATOM 455 O SER A 140 34.599 59.162 60.984 1.00 32.01 O +ATOM 456 CB SER A 140 36.221 58.053 58.509 1.00 28.69 C +ATOM 457 OG SER A 140 36.964 57.111 57.757 1.00 31.69 O +ATOM 458 N ASP A 141 36.263 57.891 61.799 1.00 35.41 N +ATOM 459 CA ASP A 141 36.389 58.635 63.052 1.00 38.34 C +ATOM 460 C ASP A 141 35.188 58.597 64.004 1.00 35.14 C +ATOM 461 O ASP A 141 35.166 59.316 65.008 1.00 31.47 O +ATOM 462 CB ASP A 141 36.761 60.091 62.756 1.00 46.87 C +ATOM 463 CG ASP A 141 38.269 60.305 62.685 1.00 55.22 C +ATOM 464 OD1 ASP A 141 39.008 59.652 63.461 1.00 60.52 O +ATOM 465 OD2 ASP A 141 38.715 61.128 61.853 1.00 61.25 O +ATOM 466 N SER A 142 34.189 57.775 63.691 1.00 31.23 N +ATOM 467 CA SER A 142 33.032 57.642 64.571 1.00 29.09 C +ATOM 468 C SER A 142 33.455 56.638 65.650 1.00 29.68 C +ATOM 469 O SER A 142 34.513 56.004 65.521 1.00 27.29 O +ATOM 470 CB SER A 142 31.808 57.121 63.799 1.00 27.47 C +ATOM 471 OG SER A 142 31.978 55.783 63.354 1.00 27.39 O +ATOM 472 N ILE A 143 32.666 56.504 66.717 1.00 26.17 N +ATOM 473 CA ILE A 143 33.019 55.549 67.771 1.00 24.77 C +ATOM 474 C ILE A 143 32.713 54.149 67.234 1.00 23.81 C +ATOM 475 O ILE A 143 33.388 53.179 67.570 1.00 23.05 O +ATOM 476 CB ILE A 143 32.233 55.827 69.084 1.00 19.68 C +ATOM 477 CG1 ILE A 143 32.642 54.831 70.171 1.00 19.13 C +ATOM 478 CG2 ILE A 143 30.748 55.736 68.834 1.00 19.21 C +ATOM 479 CD1 ILE A 143 34.086 54.907 70.556 1.00 14.55 C +ATOM 480 N GLN A 144 31.703 54.061 66.374 1.00 23.92 N +ATOM 481 CA GLN A 144 31.326 52.791 65.756 1.00 26.23 C +ATOM 482 C GLN A 144 32.451 52.287 64.864 1.00 27.03 C +ATOM 483 O GLN A 144 32.499 51.109 64.516 1.00 30.42 O +ATOM 484 CB GLN A 144 30.077 52.956 64.901 1.00 26.47 C +ATOM 485 CG GLN A 144 28.793 53.004 65.685 1.00 30.68 C +ATOM 486 CD GLN A 144 28.468 54.403 66.133 1.00 33.42 C +ATOM 487 OE1 GLN A 144 29.157 55.357 65.764 1.00 33.86 O +ATOM 488 NE2 GLN A 144 27.419 54.541 66.935 1.00 37.21 N +ATOM 489 N ALA A 145 33.351 53.182 64.478 1.00 24.10 N +ATOM 490 CA ALA A 145 34.462 52.790 63.634 1.00 23.19 C +ATOM 491 C ALA A 145 35.511 52.058 64.467 1.00 24.95 C +ATOM 492 O ALA A 145 36.367 51.371 63.917 1.00 24.43 O +ATOM 493 CB ALA A 145 35.078 54.020 62.964 1.00 21.54 C +ATOM 494 N GLU A 146 35.445 52.201 65.790 1.00 23.89 N +ATOM 495 CA GLU A 146 36.415 51.546 66.668 1.00 22.30 C +ATOM 496 C GLU A 146 36.236 50.037 66.655 1.00 20.27 C +ATOM 497 O GLU A 146 35.125 49.532 66.785 1.00 20.53 O +ATOM 498 CB GLU A 146 36.289 52.059 68.104 1.00 24.10 C +ATOM 499 CG GLU A 146 36.811 53.470 68.315 1.00 29.51 C +ATOM 500 CD GLU A 146 38.217 53.666 67.790 1.00 34.13 C +ATOM 501 OE1 GLU A 146 39.074 52.793 68.028 1.00 39.82 O +ATOM 502 OE2 GLU A 146 38.472 54.698 67.136 1.00 39.10 O +ATOM 503 N GLU A 147 37.350 49.332 66.503 1.00 20.26 N +ATOM 504 CA GLU A 147 37.384 47.878 66.446 1.00 23.63 C +ATOM 505 C GLU A 147 36.830 47.221 67.712 1.00 22.35 C +ATOM 506 O GLU A 147 36.198 46.166 67.658 1.00 20.14 O +ATOM 507 CB GLU A 147 38.827 47.444 66.225 1.00 26.03 C +ATOM 508 CG GLU A 147 38.997 46.065 65.685 1.00 36.06 C +ATOM 509 CD GLU A 147 40.433 45.606 65.789 1.00 42.31 C +ATOM 510 OE1 GLU A 147 41.292 46.426 66.189 1.00 42.62 O +ATOM 511 OE2 GLU A 147 40.703 44.428 65.476 1.00 47.52 O +ATOM 512 N TRP A 148 37.063 47.859 68.849 1.00 20.32 N +ATOM 513 CA TRP A 148 36.608 47.331 70.125 1.00 21.14 C +ATOM 514 C TRP A 148 35.223 47.824 70.583 1.00 22.33 C +ATOM 515 O TRP A 148 34.751 47.445 71.656 1.00 22.10 O +ATOM 516 CB TRP A 148 37.655 47.662 71.189 1.00 19.39 C +ATOM 517 CG TRP A 148 38.276 49.010 71.008 1.00 19.41 C +ATOM 518 CD1 TRP A 148 39.500 49.285 70.475 1.00 19.78 C +ATOM 519 CD2 TRP A 148 37.705 50.276 71.379 1.00 20.45 C +ATOM 520 NE1 TRP A 148 39.731 50.641 70.491 1.00 22.89 N +ATOM 521 CE2 TRP A 148 38.646 51.274 71.042 1.00 21.29 C +ATOM 522 CE3 TRP A 148 36.489 50.661 71.967 1.00 21.83 C +ATOM 523 CZ2 TRP A 148 38.413 52.640 71.272 1.00 20.76 C +ATOM 524 CZ3 TRP A 148 36.256 52.021 72.198 1.00 22.87 C +ATOM 525 CH2 TRP A 148 37.219 52.991 71.848 1.00 21.77 C +ATOM 526 N TYR A 149 34.568 48.658 69.777 1.00 21.90 N +ATOM 527 CA TYR A 149 33.254 49.178 70.150 1.00 20.22 C +ATOM 528 C TYR A 149 32.125 48.299 69.621 1.00 23.01 C +ATOM 529 O TYR A 149 31.831 48.300 68.423 1.00 24.16 O +ATOM 530 CB TYR A 149 33.082 50.610 69.634 1.00 20.55 C +ATOM 531 CG TYR A 149 31.817 51.252 70.144 1.00 22.59 C +ATOM 532 CD1 TYR A 149 31.734 51.711 71.460 1.00 22.05 C +ATOM 533 CD2 TYR A 149 30.684 51.346 69.338 1.00 16.80 C +ATOM 534 CE1 TYR A 149 30.557 52.240 71.959 1.00 22.28 C +ATOM 535 CE2 TYR A 149 29.502 51.875 69.830 1.00 20.11 C +ATOM 536 CZ TYR A 149 29.445 52.317 71.145 1.00 21.35 C +ATOM 537 OH TYR A 149 28.269 52.815 71.656 1.00 26.82 O +ATOM 538 N PHE A 150 31.472 47.568 70.520 1.00 21.16 N +ATOM 539 CA PHE A 150 30.409 46.656 70.128 1.00 21.57 C +ATOM 540 C PHE A 150 28.988 47.214 70.228 1.00 24.70 C +ATOM 541 O PHE A 150 28.015 46.497 69.995 1.00 28.63 O +ATOM 542 CB PHE A 150 30.533 45.357 70.934 1.00 20.32 C +ATOM 543 CG PHE A 150 31.586 44.411 70.406 1.00 17.30 C +ATOM 544 CD1 PHE A 150 32.917 44.798 70.331 1.00 19.04 C +ATOM 545 CD2 PHE A 150 31.246 43.121 70.005 1.00 21.72 C +ATOM 546 CE1 PHE A 150 33.899 43.916 69.867 1.00 19.49 C +ATOM 547 CE2 PHE A 150 32.220 42.228 69.541 1.00 18.80 C +ATOM 548 CZ PHE A 150 33.547 42.626 69.473 1.00 20.01 C +ATOM 549 N GLY A 151 28.870 48.490 70.575 1.00 25.06 N +ATOM 550 CA GLY A 151 27.566 49.123 70.660 1.00 23.63 C +ATOM 551 C GLY A 151 26.526 48.516 71.580 1.00 26.20 C +ATOM 552 O GLY A 151 26.778 48.284 72.764 1.00 26.03 O +ATOM 553 N LYS A 152 25.348 48.261 71.014 1.00 28.61 N +ATOM 554 CA LYS A 152 24.204 47.711 71.741 1.00 34.04 C +ATOM 555 C LYS A 152 24.133 46.181 71.893 1.00 36.21 C +ATOM 556 O LYS A 152 23.158 45.553 71.473 1.00 40.19 O +ATOM 557 CB LYS A 152 22.906 48.213 71.092 1.00 35.93 C +ATOM 558 CG LYS A 152 21.708 48.259 72.023 1.00 43.19 C +ATOM 559 CD LYS A 152 20.709 47.151 71.700 1.00 48.06 C +ATOM 560 CE LYS A 152 19.316 47.471 72.244 1.00 51.14 C +ATOM 561 NZ LYS A 152 19.168 47.079 73.676 1.00 52.84 N +ATOM 562 N ILE A 153 25.161 45.586 72.493 1.00 36.67 N +ATOM 563 CA ILE A 153 25.184 44.144 72.732 1.00 31.15 C +ATOM 564 C ILE A 153 24.892 43.967 74.224 1.00 30.92 C +ATOM 565 O ILE A 153 25.364 44.753 75.055 1.00 32.14 O +ATOM 566 CB ILE A 153 26.568 43.522 72.377 1.00 25.12 C +ATOM 567 CG1 ILE A 153 26.492 41.994 72.476 1.00 27.06 C +ATOM 568 CG2 ILE A 153 27.647 44.056 73.300 1.00 24.60 C +ATOM 569 CD1 ILE A 153 27.837 41.290 72.360 1.00 25.42 C +ATOM 570 N THR A 154 24.095 42.962 74.564 1.00 29.11 N +ATOM 571 CA THR A 154 23.755 42.726 75.962 1.00 29.91 C +ATOM 572 C THR A 154 24.971 42.246 76.755 1.00 28.88 C +ATOM 573 O THR A 154 26.023 41.942 76.187 1.00 28.19 O +ATOM 574 CB THR A 154 22.627 41.683 76.091 1.00 27.54 C +ATOM 575 OG1 THR A 154 23.106 40.407 75.661 1.00 29.22 O +ATOM 576 CG2 THR A 154 21.442 42.073 75.230 1.00 30.72 C +ATOM 577 N ARG A 155 24.828 42.189 78.074 1.00 28.96 N +ATOM 578 CA ARG A 155 25.917 41.736 78.929 1.00 28.83 C +ATOM 579 C ARG A 155 26.134 40.237 78.723 1.00 25.85 C +ATOM 580 O ARG A 155 27.270 39.761 78.708 1.00 24.98 O +ATOM 581 CB ARG A 155 25.591 42.028 80.398 1.00 29.72 C +ATOM 582 CG ARG A 155 26.184 41.033 81.375 1.00 34.40 C +ATOM 583 CD ARG A 155 25.618 41.240 82.757 1.00 36.96 C +ATOM 584 NE ARG A 155 26.001 42.542 83.278 1.00 38.95 N +ATOM 585 CZ ARG A 155 26.984 42.735 84.148 1.00 39.78 C +ATOM 586 NH1 ARG A 155 27.687 41.705 84.600 1.00 38.41 N +ATOM 587 NH2 ARG A 155 27.264 43.960 84.564 1.00 39.61 N +ATOM 588 N ARG A 156 25.041 39.498 78.558 1.00 24.08 N +ATOM 589 CA ARG A 156 25.120 38.056 78.346 1.00 23.47 C +ATOM 590 C ARG A 156 25.841 37.722 77.026 1.00 22.51 C +ATOM 591 O ARG A 156 26.757 36.895 76.987 1.00 17.26 O +ATOM 592 CB ARG A 156 23.702 37.466 78.370 1.00 26.31 C +ATOM 593 CG ARG A 156 23.486 36.213 77.534 1.00 34.48 C +ATOM 594 CD ARG A 156 24.047 34.952 78.199 1.00 43.08 C +ATOM 595 NE ARG A 156 23.734 34.848 79.625 1.00 47.10 N +ATOM 596 CZ ARG A 156 23.173 33.783 80.199 1.00 47.32 C +ATOM 597 NH1 ARG A 156 22.851 32.715 79.476 1.00 41.21 N +ATOM 598 NH2 ARG A 156 22.942 33.783 81.505 1.00 48.21 N +ATOM 599 N GLU A 157 25.444 38.387 75.948 1.00 23.18 N +ATOM 600 CA GLU A 157 26.060 38.144 74.651 1.00 25.03 C +ATOM 601 C GLU A 157 27.541 38.505 74.632 1.00 21.62 C +ATOM 602 O GLU A 157 28.351 37.810 74.008 1.00 18.46 O +ATOM 603 CB GLU A 157 25.311 38.909 73.559 1.00 27.50 C +ATOM 604 CG GLU A 157 24.349 38.021 72.776 1.00 35.16 C +ATOM 605 CD GLU A 157 24.928 36.630 72.486 1.00 38.12 C +ATOM 606 OE1 GLU A 157 26.067 36.548 71.957 1.00 40.53 O +ATOM 607 OE2 GLU A 157 24.244 35.622 72.786 1.00 36.69 O +ATOM 608 N SER A 158 27.897 39.589 75.312 1.00 20.13 N +ATOM 609 CA SER A 158 29.292 39.995 75.370 1.00 23.56 C +ATOM 610 C SER A 158 30.099 38.942 76.144 1.00 22.73 C +ATOM 611 O SER A 158 31.265 38.688 75.840 1.00 21.84 O +ATOM 612 CB SER A 158 29.429 41.379 76.030 1.00 25.14 C +ATOM 613 OG SER A 158 28.764 41.445 77.276 1.00 30.22 O +ATOM 614 N GLU A 159 29.466 38.314 77.130 1.00 22.36 N +ATOM 615 CA GLU A 159 30.130 37.293 77.933 1.00 21.95 C +ATOM 616 C GLU A 159 30.423 36.041 77.117 1.00 17.33 C +ATOM 617 O GLU A 159 31.499 35.455 77.239 1.00 17.14 O +ATOM 618 CB GLU A 159 29.275 36.946 79.153 1.00 22.12 C +ATOM 619 CG GLU A 159 29.682 37.715 80.397 1.00 28.69 C +ATOM 620 CD GLU A 159 28.626 37.680 81.484 1.00 33.51 C +ATOM 621 OE1 GLU A 159 27.739 36.806 81.420 1.00 38.03 O +ATOM 622 OE2 GLU A 159 28.683 38.525 82.403 1.00 35.60 O +ATOM 623 N ARG A 160 29.475 35.633 76.278 1.00 20.13 N +ATOM 624 CA ARG A 160 29.677 34.449 75.442 1.00 21.81 C +ATOM 625 C ARG A 160 30.879 34.630 74.512 1.00 21.13 C +ATOM 626 O ARG A 160 31.655 33.698 74.287 1.00 21.45 O +ATOM 627 CB ARG A 160 28.423 34.157 74.605 1.00 24.54 C +ATOM 628 CG ARG A 160 28.697 33.334 73.329 1.00 27.44 C +ATOM 629 CD ARG A 160 27.418 32.970 72.592 1.00 26.27 C +ATOM 630 NE ARG A 160 26.237 33.330 73.365 1.00 29.73 N +ATOM 631 CZ ARG A 160 25.587 32.490 74.158 1.00 27.95 C +ATOM 632 NH1 ARG A 160 26.006 31.235 74.270 1.00 30.12 N +ATOM 633 NH2 ARG A 160 24.520 32.901 74.828 1.00 29.00 N +ATOM 634 N LEU A 161 31.030 35.837 73.977 1.00 20.38 N +ATOM 635 CA LEU A 161 32.127 36.127 73.067 1.00 19.21 C +ATOM 636 C LEU A 161 33.470 36.219 73.781 1.00 19.02 C +ATOM 637 O LEU A 161 34.487 35.729 73.287 1.00 19.64 O +ATOM 638 CB LEU A 161 31.868 37.450 72.334 1.00 17.99 C +ATOM 639 CG LEU A 161 30.702 37.548 71.347 1.00 21.31 C +ATOM 640 CD1 LEU A 161 30.714 38.929 70.705 1.00 22.37 C +ATOM 641 CD2 LEU A 161 30.817 36.471 70.284 1.00 23.28 C +ATOM 642 N LEU A 162 33.473 36.849 74.948 1.00 18.41 N +ATOM 643 CA LEU A 162 34.709 37.036 75.680 1.00 19.04 C +ATOM 644 C LEU A 162 35.239 35.758 76.297 1.00 21.26 C +ATOM 645 O LEU A 162 36.450 35.589 76.427 1.00 23.39 O +ATOM 646 CB LEU A 162 34.518 38.107 76.760 1.00 17.08 C +ATOM 647 CG LEU A 162 34.463 39.541 76.219 1.00 18.59 C +ATOM 648 CD1 LEU A 162 34.008 40.487 77.324 1.00 20.34 C +ATOM 649 CD2 LEU A 162 35.831 39.947 75.664 1.00 16.48 C +ATOM 650 N LEU A 163 34.332 34.858 76.661 1.00 25.33 N +ATOM 651 CA LEU A 163 34.696 33.589 77.286 1.00 25.71 C +ATOM 652 C LEU A 163 35.187 32.529 76.313 1.00 25.48 C +ATOM 653 O LEU A 163 35.369 31.381 76.693 1.00 28.69 O +ATOM 654 CB LEU A 163 33.504 33.029 78.053 1.00 26.72 C +ATOM 655 CG LEU A 163 33.350 33.329 79.544 1.00 29.39 C +ATOM 656 CD1 LEU A 163 34.359 34.355 80.038 1.00 30.99 C +ATOM 657 CD2 LEU A 163 31.936 33.803 79.754 1.00 29.93 C +ATOM 658 N ASN A 164 35.385 32.901 75.058 1.00 25.80 N +ATOM 659 CA ASN A 164 35.861 31.942 74.075 1.00 28.12 C +ATOM 660 C ASN A 164 37.253 31.466 74.475 1.00 30.74 C +ATOM 661 O ASN A 164 38.147 32.275 74.742 1.00 28.55 O +ATOM 662 CB ASN A 164 35.907 32.575 72.690 1.00 32.73 C +ATOM 663 CG ASN A 164 36.160 31.560 71.603 1.00 34.87 C +ATOM 664 OD1 ASN A 164 35.229 30.958 71.072 1.00 38.19 O +ATOM 665 ND2 ASN A 164 37.428 31.355 71.271 1.00 40.21 N +ATOM 666 N ALA A 165 37.426 30.146 74.503 1.00 31.84 N +ATOM 667 CA ALA A 165 38.685 29.508 74.901 1.00 30.37 C +ATOM 668 C ALA A 165 39.960 30.079 74.310 1.00 28.44 C +ATOM 669 O ALA A 165 40.986 30.103 74.976 1.00 32.52 O +ATOM 670 CB ALA A 165 38.624 28.010 74.608 1.00 30.00 C +ATOM 671 N GLU A 166 39.907 30.541 73.069 1.00 30.18 N +ATOM 672 CA GLU A 166 41.092 31.081 72.421 1.00 29.42 C +ATOM 673 C GLU A 166 41.535 32.462 72.891 1.00 29.74 C +ATOM 674 O GLU A 166 42.693 32.834 72.710 1.00 31.14 O +ATOM 675 CB GLU A 166 40.872 31.120 70.917 1.00 32.30 C +ATOM 676 CG GLU A 166 40.099 29.934 70.396 1.00 43.57 C +ATOM 677 CD GLU A 166 40.048 29.904 68.882 1.00 52.69 C +ATOM 678 OE1 GLU A 166 40.011 30.993 68.266 1.00 56.75 O +ATOM 679 OE2 GLU A 166 40.049 28.792 68.308 1.00 56.11 O +ATOM 680 N ASN A 167 40.625 33.214 73.505 1.00 30.86 N +ATOM 681 CA ASN A 167 40.921 34.578 73.956 1.00 28.46 C +ATOM 682 C ASN A 167 41.966 34.723 75.047 1.00 29.33 C +ATOM 683 O ASN A 167 41.807 34.186 76.139 1.00 29.68 O +ATOM 684 CB ASN A 167 39.644 35.270 74.447 1.00 25.76 C +ATOM 685 CG ASN A 167 38.659 35.545 73.330 1.00 23.73 C +ATOM 686 OD1 ASN A 167 39.009 35.507 72.151 1.00 26.14 O +ATOM 687 ND2 ASN A 167 37.418 35.828 73.696 1.00 24.16 N +ATOM 688 N PRO A 168 43.056 35.455 74.767 1.00 29.28 N +ATOM 689 CA PRO A 168 44.066 35.621 75.816 1.00 28.69 C +ATOM 690 C PRO A 168 43.439 36.416 76.958 1.00 28.06 C +ATOM 691 O PRO A 168 42.358 36.985 76.800 1.00 28.53 O +ATOM 692 CB PRO A 168 45.199 36.391 75.131 1.00 28.79 C +ATOM 693 CG PRO A 168 44.642 36.909 73.860 1.00 29.54 C +ATOM 694 CD PRO A 168 43.424 36.119 73.504 1.00 29.29 C +ATOM 695 N ARG A 169 44.091 36.437 78.114 1.00 28.68 N +ATOM 696 CA ARG A 169 43.563 37.190 79.247 1.00 28.10 C +ATOM 697 C ARG A 169 43.644 38.677 78.896 1.00 26.52 C +ATOM 698 O ARG A 169 44.548 39.104 78.171 1.00 25.88 O +ATOM 699 CB ARG A 169 44.374 36.899 80.517 1.00 32.30 C +ATOM 700 CG ARG A 169 43.744 35.855 81.429 1.00 39.09 C +ATOM 701 CD ARG A 169 44.423 34.494 81.280 1.00 46.13 C +ATOM 702 NE ARG A 169 43.482 33.415 80.966 1.00 47.31 N +ATOM 703 CZ ARG A 169 43.693 32.130 81.253 1.00 49.83 C +ATOM 704 NH1 ARG A 169 44.814 31.757 81.864 1.00 52.22 N +ATOM 705 NH2 ARG A 169 42.790 31.215 80.926 1.00 48.89 N +ATOM 706 N GLY A 170 42.695 39.459 79.398 1.00 24.81 N +ATOM 707 CA GLY A 170 42.690 40.881 79.102 1.00 25.52 C +ATOM 708 C GLY A 170 41.996 41.227 77.789 1.00 27.04 C +ATOM 709 O GLY A 170 42.123 42.358 77.307 1.00 26.48 O +ATOM 710 N THR A 171 41.290 40.256 77.199 1.00 26.18 N +ATOM 711 CA THR A 171 40.550 40.471 75.949 1.00 24.09 C +ATOM 712 C THR A 171 39.345 41.325 76.343 1.00 23.15 C +ATOM 713 O THR A 171 38.682 41.052 77.352 1.00 21.13 O +ATOM 714 CB THR A 171 40.070 39.128 75.304 1.00 21.17 C +ATOM 715 OG1 THR A 171 41.207 38.368 74.870 1.00 21.99 O +ATOM 716 CG2 THR A 171 39.179 39.400 74.081 1.00 21.34 C +ATOM 717 N PHE A 172 39.044 42.348 75.545 1.00 20.68 N +ATOM 718 CA PHE A 172 37.963 43.260 75.903 1.00 20.24 C +ATOM 719 C PHE A 172 37.079 43.768 74.768 1.00 18.48 C +ATOM 720 O PHE A 172 37.300 43.494 73.591 1.00 18.71 O +ATOM 721 CB PHE A 172 38.573 44.482 76.613 1.00 18.08 C +ATOM 722 CG PHE A 172 39.294 45.419 75.675 1.00 17.90 C +ATOM 723 CD1 PHE A 172 40.536 45.076 75.150 1.00 18.73 C +ATOM 724 CD2 PHE A 172 38.683 46.596 75.236 1.00 18.85 C +ATOM 725 CE1 PHE A 172 41.162 45.889 74.189 1.00 20.32 C +ATOM 726 CE2 PHE A 172 39.292 47.411 74.284 1.00 14.86 C +ATOM 727 CZ PHE A 172 40.535 47.057 73.756 1.00 16.55 C +ATOM 728 N LEU A 173 36.076 44.533 75.168 1.00 18.48 N +ATOM 729 CA LEU A 173 35.146 45.169 74.258 1.00 19.15 C +ATOM 730 C LEU A 173 34.443 46.247 75.078 1.00 20.61 C +ATOM 731 O LEU A 173 34.423 46.192 76.311 1.00 18.47 O +ATOM 732 CB LEU A 173 34.132 44.158 73.683 1.00 15.53 C +ATOM 733 CG LEU A 173 33.071 43.458 74.546 1.00 16.82 C +ATOM 734 CD1 LEU A 173 31.943 44.405 74.917 1.00 13.22 C +ATOM 735 CD2 LEU A 173 32.520 42.278 73.776 1.00 14.04 C +ATOM 736 N VAL A 174 33.907 47.249 74.392 1.00 20.47 N +ATOM 737 CA VAL A 174 33.179 48.320 75.053 1.00 18.57 C +ATOM 738 C VAL A 174 31.786 48.308 74.443 1.00 20.67 C +ATOM 739 O VAL A 174 31.631 48.105 73.236 1.00 18.55 O +ATOM 740 CB VAL A 174 33.859 49.691 74.828 1.00 18.28 C +ATOM 741 CG1 VAL A 174 32.952 50.819 75.309 1.00 21.01 C +ATOM 742 CG2 VAL A 174 35.185 49.734 75.568 1.00 16.68 C +ATOM 743 N ARG A 175 30.771 48.493 75.280 1.00 18.51 N +ATOM 744 CA ARG A 175 29.395 48.491 74.809 1.00 21.14 C +ATOM 745 C ARG A 175 28.560 49.517 75.574 1.00 21.24 C +ATOM 746 O ARG A 175 29.040 50.154 76.508 1.00 20.47 O +ATOM 747 CB ARG A 175 28.795 47.099 74.995 1.00 20.92 C +ATOM 748 CG ARG A 175 29.146 46.499 76.338 1.00 23.26 C +ATOM 749 CD ARG A 175 28.249 45.351 76.692 1.00 27.42 C +ATOM 750 NE ARG A 175 28.459 44.987 78.082 1.00 30.39 N +ATOM 751 CZ ARG A 175 27.616 45.293 79.057 1.00 32.71 C +ATOM 752 NH1 ARG A 175 26.509 45.967 78.781 1.00 28.30 N +ATOM 753 NH2 ARG A 175 27.894 44.943 80.309 1.00 36.11 N +ATOM 754 N GLU A 176 27.315 49.685 75.159 1.00 23.30 N +ATOM 755 CA GLU A 176 26.411 50.607 75.829 1.00 28.67 C +ATOM 756 C GLU A 176 25.880 49.934 77.087 1.00 30.88 C +ATOM 757 O GLU A 176 25.604 48.736 77.085 1.00 34.20 O +ATOM 758 CB GLU A 176 25.217 50.927 74.939 1.00 28.69 C +ATOM 759 CG GLU A 176 25.546 51.584 73.621 1.00 37.51 C +ATOM 760 CD GLU A 176 24.303 51.783 72.779 1.00 40.78 C +ATOM 761 OE1 GLU A 176 23.229 51.262 73.165 1.00 42.99 O +ATOM 762 OE2 GLU A 176 24.397 52.460 71.734 1.00 44.16 O +ATOM 763 N SER A 177 25.724 50.702 78.157 1.00 32.66 N +ATOM 764 CA SER A 177 25.185 50.155 79.397 1.00 32.10 C +ATOM 765 C SER A 177 23.673 49.981 79.226 1.00 30.20 C +ATOM 766 O SER A 177 23.011 50.804 78.589 1.00 31.04 O +ATOM 767 CB SER A 177 25.471 51.105 80.570 1.00 34.36 C +ATOM 768 OG SER A 177 24.471 50.994 81.571 1.00 33.90 O +ATOM 769 N GLU A 178 23.128 48.908 79.784 1.00 27.50 N +ATOM 770 CA GLU A 178 21.697 48.660 79.689 1.00 30.81 C +ATOM 771 C GLU A 178 20.917 49.338 80.829 1.00 29.31 C +ATOM 772 O GLU A 178 19.775 49.756 80.638 1.00 32.74 O +ATOM 773 CB GLU A 178 21.427 47.145 79.692 1.00 34.74 C +ATOM 774 CG GLU A 178 21.987 46.386 78.474 1.00 44.32 C +ATOM 775 CD GLU A 178 22.218 44.890 78.737 1.00 47.77 C +ATOM 776 OE1 GLU A 178 21.255 44.101 78.651 1.00 49.91 O +ATOM 777 OE2 GLU A 178 23.368 44.491 79.024 1.00 53.21 O +ATOM 778 N THR A 179 21.542 49.464 81.998 1.00 30.91 N +ATOM 779 CA THR A 179 20.907 50.064 83.178 1.00 28.83 C +ATOM 780 C THR A 179 21.008 51.591 83.293 1.00 33.49 C +ATOM 781 O THR A 179 20.203 52.221 83.987 1.00 34.05 O +ATOM 782 CB THR A 179 21.488 49.465 84.470 1.00 25.76 C +ATOM 783 OG1 THR A 179 22.911 49.585 84.446 1.00 27.63 O +ATOM 784 CG2 THR A 179 21.129 48.000 84.597 1.00 24.60 C +ATOM 785 N THR A 180 21.997 52.183 82.628 1.00 34.30 N +ATOM 786 CA THR A 180 22.191 53.630 82.665 1.00 33.02 C +ATOM 787 C THR A 180 22.364 54.220 81.273 1.00 34.51 C +ATOM 788 O THR A 180 23.446 54.127 80.698 1.00 34.33 O +ATOM 789 CB THR A 180 23.442 54.006 83.469 1.00 33.14 C +ATOM 790 OG1 THR A 180 23.261 53.634 84.838 1.00 34.81 O +ATOM 791 CG2 THR A 180 23.693 55.511 83.383 1.00 32.12 C +ATOM 792 N LYS A 181 21.307 54.837 80.747 1.00 35.80 N +ATOM 793 CA LYS A 181 21.341 55.461 79.418 1.00 36.75 C +ATOM 794 C LYS A 181 22.487 56.468 79.333 1.00 35.60 C +ATOM 795 O LYS A 181 22.787 57.158 80.305 1.00 36.92 O +ATOM 796 CB LYS A 181 20.013 56.182 79.133 1.00 39.57 C +ATOM 797 CG LYS A 181 19.082 55.494 78.128 1.00 46.95 C +ATOM 798 CD LYS A 181 19.057 53.967 78.300 1.00 53.97 C +ATOM 799 CE LYS A 181 17.795 53.476 79.012 1.00 54.36 C +ATOM 800 NZ LYS A 181 18.011 52.134 79.624 1.00 55.13 N +ATOM 801 N GLY A 182 23.131 56.548 78.172 1.00 34.76 N +ATOM 802 CA GLY A 182 24.229 57.488 78.003 1.00 32.45 C +ATOM 803 C GLY A 182 25.547 56.991 78.563 1.00 33.39 C +ATOM 804 O GLY A 182 26.605 57.579 78.319 1.00 34.18 O +ATOM 805 N ALA A 183 25.485 55.901 79.324 1.00 33.73 N +ATOM 806 CA ALA A 183 26.682 55.317 79.919 1.00 31.39 C +ATOM 807 C ALA A 183 27.195 54.165 79.056 1.00 27.96 C +ATOM 808 O ALA A 183 26.469 53.627 78.225 1.00 24.18 O +ATOM 809 CB ALA A 183 26.380 54.818 81.330 1.00 31.62 C +ATOM 810 N TYR A 184 28.453 53.799 79.269 1.00 27.86 N +ATOM 811 CA TYR A 184 29.086 52.716 78.534 1.00 29.45 C +ATOM 812 C TYR A 184 29.609 51.679 79.511 1.00 30.60 C +ATOM 813 O TYR A 184 29.456 51.826 80.726 1.00 30.77 O +ATOM 814 CB TYR A 184 30.227 53.266 77.677 1.00 28.19 C +ATOM 815 CG TYR A 184 29.721 54.215 76.618 1.00 33.40 C +ATOM 816 CD1 TYR A 184 29.196 53.732 75.418 1.00 31.39 C +ATOM 817 CD2 TYR A 184 29.691 55.592 76.846 1.00 33.95 C +ATOM 818 CE1 TYR A 184 28.647 54.592 74.478 1.00 32.47 C +ATOM 819 CE2 TYR A 184 29.143 56.464 75.909 1.00 33.92 C +ATOM 820 CZ TYR A 184 28.621 55.955 74.729 1.00 34.05 C +ATOM 821 OH TYR A 184 28.070 56.808 73.799 1.00 36.09 O +ATOM 822 N CYS A 185 30.224 50.630 78.977 1.00 29.50 N +ATOM 823 CA CYS A 185 30.754 49.561 79.805 1.00 27.31 C +ATOM 824 C CYS A 185 31.933 48.846 79.154 1.00 26.26 C +ATOM 825 O CYS A 185 31.892 48.485 77.972 1.00 23.78 O +ATOM 826 CB CYS A 185 29.639 48.551 80.125 1.00 27.73 C +ATOM 827 SG CYS A 185 30.209 46.982 80.844 1.00 40.84 S +ATOM 828 N LEU A 186 32.987 48.658 79.939 1.00 21.77 N +ATOM 829 CA LEU A 186 34.175 47.968 79.484 1.00 20.77 C +ATOM 830 C LEU A 186 34.138 46.561 80.080 1.00 24.72 C +ATOM 831 O LEU A 186 34.210 46.395 81.299 1.00 25.69 O +ATOM 832 CB LEU A 186 35.415 48.721 79.961 1.00 20.83 C +ATOM 833 CG LEU A 186 36.809 48.102 79.811 1.00 22.40 C +ATOM 834 CD1 LEU A 186 37.248 48.125 78.346 1.00 20.69 C +ATOM 835 CD2 LEU A 186 37.793 48.881 80.677 1.00 20.89 C +ATOM 836 N SER A 187 33.996 45.552 79.223 1.00 23.60 N +ATOM 837 CA SER A 187 33.960 44.159 79.670 1.00 20.87 C +ATOM 838 C SER A 187 35.308 43.510 79.373 1.00 21.72 C +ATOM 839 O SER A 187 35.823 43.611 78.255 1.00 19.58 O +ATOM 840 CB SER A 187 32.825 43.420 78.968 1.00 17.02 C +ATOM 841 OG SER A 187 31.625 44.166 79.093 1.00 19.56 O +ATOM 842 N VAL A 188 35.877 42.844 80.376 1.00 20.75 N +ATOM 843 CA VAL A 188 37.201 42.230 80.242 1.00 22.77 C +ATOM 844 C VAL A 188 37.268 40.769 80.672 1.00 23.40 C +ATOM 845 O VAL A 188 36.643 40.380 81.657 1.00 25.93 O +ATOM 846 CB VAL A 188 38.254 43.003 81.091 1.00 25.04 C +ATOM 847 CG1 VAL A 188 39.653 42.727 80.571 1.00 24.80 C +ATOM 848 CG2 VAL A 188 37.956 44.499 81.067 1.00 22.88 C +ATOM 849 N SER A 189 38.040 39.971 79.936 1.00 25.87 N +ATOM 850 CA SER A 189 38.205 38.547 80.253 1.00 28.20 C +ATOM 851 C SER A 189 39.350 38.375 81.258 1.00 29.00 C +ATOM 852 O SER A 189 40.420 38.978 81.123 1.00 22.87 O +ATOM 853 CB SER A 189 38.493 37.730 78.987 1.00 22.44 C +ATOM 854 OG SER A 189 39.882 37.663 78.731 1.00 22.90 O +ATOM 855 N ASP A 190 39.110 37.540 82.264 1.00 32.96 N +ATOM 856 CA ASP A 190 40.088 37.304 83.318 1.00 37.17 C +ATOM 857 C ASP A 190 40.100 35.835 83.760 1.00 39.07 C +ATOM 858 O ASP A 190 39.160 35.084 83.484 1.00 39.08 O +ATOM 859 CB ASP A 190 39.750 38.208 84.508 1.00 38.65 C +ATOM 860 CG ASP A 190 40.759 38.110 85.626 1.00 41.91 C +ATOM 861 OD1 ASP A 190 41.908 38.576 85.436 1.00 39.90 O +ATOM 862 OD2 ASP A 190 40.393 37.568 86.694 1.00 47.33 O +ATOM 863 N PHE A 191 41.174 35.432 84.437 1.00 39.27 N +ATOM 864 CA PHE A 191 41.303 34.065 84.934 1.00 41.73 C +ATOM 865 C PHE A 191 41.666 34.065 86.418 1.00 45.19 C +ATOM 866 O PHE A 191 42.637 34.692 86.840 1.00 44.84 O +ATOM 867 CB PHE A 191 42.374 33.296 84.150 1.00 40.12 C +ATOM 868 CG PHE A 191 42.533 31.860 84.583 1.00 39.35 C +ATOM 869 CD1 PHE A 191 43.372 31.524 85.646 1.00 38.51 C +ATOM 870 CD2 PHE A 191 41.835 30.844 83.937 1.00 39.18 C +ATOM 871 CE1 PHE A 191 43.509 30.203 86.059 1.00 35.93 C +ATOM 872 CE2 PHE A 191 41.967 29.521 84.343 1.00 39.54 C +ATOM 873 CZ PHE A 191 42.804 29.202 85.407 1.00 38.40 C +ATOM 874 N ASP A 192 40.876 33.349 87.202 1.00 48.99 N +ATOM 875 CA ASP A 192 41.095 33.249 88.634 1.00 53.33 C +ATOM 876 C ASP A 192 41.496 31.812 88.978 1.00 54.45 C +ATOM 877 O ASP A 192 40.896 30.864 88.480 1.00 53.86 O +ATOM 878 CB ASP A 192 39.805 33.620 89.356 1.00 56.42 C +ATOM 879 CG ASP A 192 40.052 34.371 90.627 1.00 61.34 C +ATOM 880 OD1 ASP A 192 40.906 33.915 91.416 1.00 66.07 O +ATOM 881 OD2 ASP A 192 39.396 35.415 90.838 1.00 66.70 O +ATOM 882 N ASN A 193 42.510 31.644 89.818 1.00 57.38 N +ATOM 883 CA ASN A 193 42.941 30.299 90.196 1.00 59.23 C +ATOM 884 C ASN A 193 41.933 29.693 91.161 1.00 56.64 C +ATOM 885 O ASN A 193 42.099 28.568 91.624 1.00 58.33 O +ATOM 886 CB ASN A 193 44.322 30.340 90.851 1.00 66.20 C +ATOM 887 CG ASN A 193 44.308 31.036 92.197 1.00 73.64 C +ATOM 888 OD1 ASN A 193 45.282 30.970 92.949 1.00 78.69 O +ATOM 889 ND2 ASN A 193 43.201 31.710 92.511 1.00 76.08 N +ATOM 890 N ALA A 194 40.886 30.459 91.451 1.00 55.81 N +ATOM 891 CA ALA A 194 39.816 30.043 92.350 1.00 53.50 C +ATOM 892 C ALA A 194 38.476 30.488 91.768 1.00 52.47 C +ATOM 893 O ALA A 194 37.569 30.898 92.497 1.00 52.08 O +ATOM 894 CB ALA A 194 40.022 30.668 93.721 1.00 55.01 C +ATOM 895 N LYS A 195 38.370 30.406 90.445 1.00 51.27 N +ATOM 896 CA LYS A 195 37.161 30.799 89.725 1.00 47.84 C +ATOM 897 C LYS A 195 37.367 30.547 88.228 1.00 44.45 C +ATOM 898 O LYS A 195 36.410 30.526 87.450 1.00 44.67 O +ATOM 899 CB LYS A 195 36.855 32.285 89.981 1.00 48.42 C +ATOM 900 CG LYS A 195 35.785 32.890 89.080 1.00 50.67 C +ATOM 901 CD LYS A 195 34.985 33.963 89.809 1.00 51.62 C +ATOM 902 CE LYS A 195 35.394 35.362 89.371 1.00 54.11 C +ATOM 903 NZ LYS A 195 35.721 36.249 90.530 1.00 56.34 N +ATOM 904 N GLY A 196 38.623 30.341 87.840 1.00 39.45 N +ATOM 905 CA GLY A 196 38.949 30.101 86.445 1.00 37.04 C +ATOM 906 C GLY A 196 38.610 31.291 85.563 1.00 35.05 C +ATOM 907 O GLY A 196 38.610 32.436 86.021 1.00 33.67 O +ATOM 908 N LEU A 197 38.320 31.018 84.295 1.00 35.51 N +ATOM 909 CA LEU A 197 37.970 32.057 83.327 1.00 33.44 C +ATOM 910 C LEU A 197 36.711 32.798 83.782 1.00 32.23 C +ATOM 911 O LEU A 197 35.750 32.177 84.237 1.00 30.67 O +ATOM 912 CB LEU A 197 37.733 31.421 81.957 1.00 35.33 C +ATOM 913 CG LEU A 197 37.966 32.299 80.729 1.00 41.08 C +ATOM 914 CD1 LEU A 197 39.433 32.701 80.659 1.00 44.00 C +ATOM 915 CD2 LEU A 197 37.558 31.547 79.474 1.00 40.80 C +ATOM 916 N ASN A 198 36.718 34.125 83.672 1.00 30.45 N +ATOM 917 CA ASN A 198 35.562 34.926 84.084 1.00 30.40 C +ATOM 918 C ASN A 198 35.600 36.323 83.468 1.00 29.20 C +ATOM 919 O ASN A 198 36.657 36.798 83.056 1.00 31.98 O +ATOM 920 CB ASN A 198 35.494 35.018 85.622 1.00 28.86 C +ATOM 921 CG ASN A 198 36.630 35.838 86.225 1.00 28.48 C +ATOM 922 OD1 ASN A 198 36.435 36.988 86.609 1.00 29.79 O +ATOM 923 ND2 ASN A 198 37.814 35.247 86.317 1.00 27.44 N +ATOM 924 N VAL A 199 34.446 36.980 83.407 1.00 28.71 N +ATOM 925 CA VAL A 199 34.357 38.317 82.823 1.00 28.40 C +ATOM 926 C VAL A 199 34.083 39.399 83.863 1.00 27.81 C +ATOM 927 O VAL A 199 33.215 39.233 84.713 1.00 27.51 O +ATOM 928 CB VAL A 199 33.228 38.388 81.766 1.00 27.32 C +ATOM 929 CG1 VAL A 199 33.006 39.844 81.340 1.00 24.34 C +ATOM 930 CG2 VAL A 199 33.572 37.493 80.563 1.00 26.73 C +ATOM 931 N LYS A 200 34.820 40.505 83.787 1.00 27.63 N +ATOM 932 CA LYS A 200 34.622 41.621 84.709 1.00 26.99 C +ATOM 933 C LYS A 200 34.034 42.795 83.931 1.00 27.57 C +ATOM 934 O LYS A 200 34.514 43.138 82.852 1.00 27.91 O +ATOM 935 CB LYS A 200 35.951 42.035 85.349 1.00 30.70 C +ATOM 936 CG LYS A 200 36.832 40.871 85.783 1.00 33.90 C +ATOM 937 CD LYS A 200 36.782 40.656 87.291 1.00 33.78 C +ATOM 938 CE LYS A 200 38.084 40.048 87.813 1.00 35.39 C +ATOM 939 NZ LYS A 200 38.070 38.549 87.860 1.00 36.59 N +ATOM 940 N HIS A 201 32.988 43.401 84.481 1.00 27.50 N +ATOM 941 CA HIS A 201 32.322 44.525 83.839 1.00 28.91 C +ATOM 942 C HIS A 201 32.547 45.829 84.590 1.00 32.08 C +ATOM 943 O HIS A 201 32.374 45.884 85.807 1.00 31.75 O +ATOM 944 CB HIS A 201 30.825 44.267 83.762 1.00 28.41 C +ATOM 945 CG HIS A 201 30.455 43.107 82.896 1.00 32.51 C +ATOM 946 ND1 HIS A 201 30.141 43.246 81.562 1.00 32.63 N +ATOM 947 CD2 HIS A 201 30.307 41.793 83.183 1.00 33.38 C +ATOM 948 CE1 HIS A 201 29.812 42.068 81.065 1.00 35.02 C +ATOM 949 NE2 HIS A 201 29.905 41.169 82.028 1.00 35.08 N +ATOM 950 N TYR A 202 32.913 46.880 83.858 1.00 31.91 N +ATOM 951 CA TYR A 202 33.146 48.199 84.451 1.00 30.43 C +ATOM 952 C TYR A 202 32.321 49.277 83.748 1.00 29.19 C +ATOM 953 O TYR A 202 32.514 49.538 82.565 1.00 26.17 O +ATOM 954 CB TYR A 202 34.625 48.567 84.369 1.00 29.01 C +ATOM 955 CG TYR A 202 35.568 47.540 84.966 1.00 33.89 C +ATOM 956 CD1 TYR A 202 36.068 46.496 84.191 1.00 33.31 C +ATOM 957 CD2 TYR A 202 36.006 47.643 86.293 1.00 32.94 C +ATOM 958 CE1 TYR A 202 36.982 45.583 84.714 1.00 33.02 C +ATOM 959 CE2 TYR A 202 36.925 46.731 86.823 1.00 32.04 C +ATOM 960 CZ TYR A 202 37.407 45.708 86.023 1.00 30.06 C +ATOM 961 OH TYR A 202 38.331 44.818 86.510 1.00 30.55 O +ATOM 962 N LYS A 203 31.403 49.897 84.487 1.00 29.53 N +ATOM 963 CA LYS A 203 30.551 50.940 83.933 1.00 29.57 C +ATOM 964 C LYS A 203 31.315 52.244 83.736 1.00 31.38 C +ATOM 965 O LYS A 203 32.003 52.717 84.635 1.00 30.67 O +ATOM 966 CB LYS A 203 29.360 51.199 84.844 1.00 29.19 C +ATOM 967 CG LYS A 203 28.286 52.042 84.200 1.00 29.53 C +ATOM 968 CD LYS A 203 27.104 52.194 85.124 1.00 29.14 C +ATOM 969 CE LYS A 203 25.879 51.551 84.542 1.00 30.20 C +ATOM 970 NZ LYS A 203 24.726 51.695 85.468 1.00 35.42 N +ATOM 971 N ILE A 204 31.183 52.820 82.549 1.00 31.72 N +ATOM 972 CA ILE A 204 31.862 54.062 82.236 1.00 28.44 C +ATOM 973 C ILE A 204 30.854 55.193 82.291 1.00 32.87 C +ATOM 974 O ILE A 204 29.882 55.217 81.527 1.00 29.74 O +ATOM 975 CB ILE A 204 32.480 54.007 80.835 1.00 26.30 C +ATOM 976 CG1 ILE A 204 33.626 52.996 80.819 1.00 23.70 C +ATOM 977 CG2 ILE A 204 32.980 55.384 80.430 1.00 27.66 C +ATOM 978 CD1 ILE A 204 33.982 52.537 79.424 1.00 20.43 C +ATOM 979 N ARG A 205 31.062 56.121 83.220 1.00 38.06 N +ATOM 980 CA ARG A 205 30.157 57.264 83.352 1.00 41.63 C +ATOM 981 C ARG A 205 30.782 58.485 82.714 1.00 44.54 C +ATOM 982 O ARG A 205 32.010 58.635 82.703 1.00 42.61 O +ATOM 983 CB ARG A 205 29.869 57.563 84.825 1.00 42.42 C +ATOM 984 CG ARG A 205 29.227 56.419 85.584 1.00 41.88 C +ATOM 985 CD ARG A 205 28.012 56.866 86.378 1.00 40.31 C +ATOM 986 NE ARG A 205 27.273 55.702 86.860 1.00 40.52 N +ATOM 987 CZ ARG A 205 25.957 55.661 87.040 1.00 43.00 C +ATOM 988 NH1 ARG A 205 25.207 56.727 86.782 1.00 43.71 N +ATOM 989 NH2 ARG A 205 25.388 54.538 87.459 1.00 42.85 N +ATOM 990 N LYS A 206 29.924 59.349 82.168 1.00 51.35 N +ATOM 991 CA LYS A 206 30.358 60.573 81.516 1.00 59.93 C +ATOM 992 C LYS A 206 29.861 61.741 82.383 1.00 63.06 C +ATOM 993 O LYS A 206 28.659 61.997 82.480 1.00 65.67 O +ATOM 994 CB LYS A 206 29.774 60.647 80.091 1.00 63.14 C +ATOM 995 CG LYS A 206 30.347 61.766 79.206 1.00 66.39 C +ATOM 996 CD LYS A 206 29.439 62.071 78.002 1.00 70.99 C +ATOM 997 CE LYS A 206 29.919 63.305 77.212 1.00 73.36 C +ATOM 998 NZ LYS A 206 29.100 63.628 75.983 1.00 74.20 N +ATOM 999 N LEU A 207 30.785 62.422 83.051 1.00 64.35 N +ATOM 1000 CA LEU A 207 30.462 63.551 83.919 1.00 66.02 C +ATOM 1001 C LEU A 207 29.605 64.651 83.263 1.00 69.71 C +ATOM 1002 O LEU A 207 29.269 64.589 82.072 1.00 70.28 O +ATOM 1003 CB LEU A 207 31.754 64.151 84.466 1.00 62.33 C +ATOM 1004 CG LEU A 207 32.563 63.340 85.461 1.00 59.73 C +ATOM 1005 CD1 LEU A 207 33.980 63.873 85.508 1.00 57.17 C +ATOM 1006 CD2 LEU A 207 31.894 63.427 86.814 1.00 59.60 C +ATOM 1007 N ASP A 208 29.238 65.657 84.056 1.00 73.05 N +ATOM 1008 CA ASP A 208 28.451 66.790 83.568 1.00 76.56 C +ATOM 1009 C ASP A 208 29.387 67.671 82.730 1.00 75.08 C +ATOM 1010 O ASP A 208 28.981 68.235 81.702 1.00 75.09 O +ATOM 1011 CB ASP A 208 27.890 67.597 84.739 1.00 82.10 C +ATOM 1012 CG ASP A 208 28.121 66.916 86.090 1.00 87.22 C +ATOM 1013 OD1 ASP A 208 27.481 65.866 86.344 1.00 89.89 O +ATOM 1014 OD2 ASP A 208 28.947 67.425 86.888 1.00 88.77 O +ATOM 1015 N SER A 209 30.634 67.770 83.186 1.00 71.97 N +ATOM 1016 CA SER A 209 31.668 68.537 82.501 1.00 69.42 C +ATOM 1017 C SER A 209 31.931 67.908 81.130 1.00 69.16 C +ATOM 1018 O SER A 209 31.695 68.527 80.084 1.00 67.62 O +ATOM 1019 CB SER A 209 32.962 68.508 83.325 1.00 67.82 C +ATOM 1020 OG SER A 209 32.685 68.119 84.660 1.00 66.07 O +ATOM 1021 N GLY A 210 32.425 66.670 81.154 1.00 70.17 N +ATOM 1022 CA GLY A 210 32.697 65.967 79.912 1.00 69.90 C +ATOM 1023 C GLY A 210 33.600 64.754 80.052 1.00 69.05 C +ATOM 1024 O GLY A 210 33.684 63.934 79.133 1.00 70.21 O +ATOM 1025 N GLY A 211 34.280 64.629 81.189 1.00 65.67 N +ATOM 1026 CA GLY A 211 35.174 63.498 81.391 1.00 61.29 C +ATOM 1027 C GLY A 211 34.544 62.107 81.317 1.00 57.08 C +ATOM 1028 O GLY A 211 33.343 61.940 81.545 1.00 58.19 O +ATOM 1029 N PHE A 212 35.362 61.109 80.981 1.00 49.08 N +ATOM 1030 CA PHE A 212 34.925 59.716 80.890 1.00 39.54 C +ATOM 1031 C PHE A 212 35.738 58.986 81.936 1.00 34.76 C +ATOM 1032 O PHE A 212 36.957 59.126 81.983 1.00 33.49 O +ATOM 1033 CB PHE A 212 35.254 59.127 79.517 1.00 39.56 C +ATOM 1034 CG PHE A 212 34.191 59.355 78.487 1.00 34.60 C +ATOM 1035 CD1 PHE A 212 32.980 58.685 78.560 1.00 35.89 C +ATOM 1036 CD2 PHE A 212 34.406 60.231 77.435 1.00 33.05 C +ATOM 1037 CE1 PHE A 212 31.997 58.887 77.596 1.00 33.70 C +ATOM 1038 CE2 PHE A 212 33.428 60.435 76.472 1.00 30.06 C +ATOM 1039 CZ PHE A 212 32.224 59.762 76.553 1.00 30.00 C +ATOM 1040 N TYR A 213 35.089 58.200 82.775 1.00 31.47 N +ATOM 1041 CA TYR A 213 35.857 57.511 83.795 1.00 31.68 C +ATOM 1042 C TYR A 213 35.231 56.224 84.337 1.00 29.04 C +ATOM 1043 O TYR A 213 34.018 56.012 84.262 1.00 26.33 O +ATOM 1044 CB TYR A 213 36.119 58.477 84.960 1.00 31.02 C +ATOM 1045 CG TYR A 213 34.859 58.768 85.735 1.00 30.00 C +ATOM 1046 CD1 TYR A 213 33.877 59.608 85.211 1.00 26.89 C +ATOM 1047 CD2 TYR A 213 34.598 58.122 86.945 1.00 32.58 C +ATOM 1048 CE1 TYR A 213 32.667 59.791 85.862 1.00 31.69 C +ATOM 1049 CE2 TYR A 213 33.383 58.297 87.610 1.00 31.45 C +ATOM 1050 CZ TYR A 213 32.424 59.128 87.061 1.00 32.36 C +ATOM 1051 OH TYR A 213 31.211 59.280 87.693 1.00 32.69 O +ATOM 1052 N ILE A 214 36.106 55.378 84.873 1.00 32.41 N +ATOM 1053 CA ILE A 214 35.753 54.114 85.503 1.00 32.79 C +ATOM 1054 C ILE A 214 35.955 54.479 86.972 1.00 36.26 C +ATOM 1055 O ILE A 214 35.084 54.263 87.811 1.00 35.52 O +ATOM 1056 CB ILE A 214 36.739 52.989 85.082 1.00 33.33 C +ATOM 1057 CG1 ILE A 214 36.256 52.334 83.784 1.00 31.39 C +ATOM 1058 CG2 ILE A 214 36.881 51.946 86.188 1.00 29.45 C +ATOM 1059 CD1 ILE A 214 37.262 51.361 83.195 1.00 28.70 C +ATOM 1060 N THR A 215 37.118 55.060 87.258 1.00 38.22 N +ATOM 1061 CA THR A 215 37.456 55.520 88.601 1.00 41.02 C +ATOM 1062 C THR A 215 37.590 57.043 88.528 1.00 42.86 C +ATOM 1063 O THR A 215 38.178 57.573 87.581 1.00 43.59 O +ATOM 1064 CB THR A 215 38.783 54.928 89.092 1.00 40.05 C +ATOM 1065 OG1 THR A 215 39.136 55.543 90.336 1.00 43.13 O +ATOM 1066 CG2 THR A 215 39.892 55.175 88.080 1.00 40.74 C +ATOM 1067 N SER A 216 37.048 57.742 89.521 1.00 43.33 N +ATOM 1068 CA SER A 216 37.087 59.201 89.544 1.00 44.48 C +ATOM 1069 C SER A 216 38.484 59.810 89.515 1.00 44.64 C +ATOM 1070 O SER A 216 38.655 60.961 89.102 1.00 44.66 O +ATOM 1071 CB SER A 216 36.332 59.729 90.760 1.00 45.31 C +ATOM 1072 OG SER A 216 35.141 60.378 90.346 1.00 47.93 O +ATOM 1073 N ARG A 217 39.479 59.038 89.942 1.00 44.17 N +ATOM 1074 CA ARG A 217 40.858 59.515 89.961 1.00 43.35 C +ATOM 1075 C ARG A 217 41.516 59.500 88.586 1.00 41.91 C +ATOM 1076 O ARG A 217 42.695 59.827 88.461 1.00 41.88 O +ATOM 1077 CB ARG A 217 41.696 58.681 90.933 1.00 44.69 C +ATOM 1078 CG ARG A 217 41.718 57.205 90.616 1.00 50.43 C +ATOM 1079 CD ARG A 217 43.091 56.771 90.152 1.00 55.45 C +ATOM 1080 NE ARG A 217 43.352 55.372 90.473 1.00 58.83 N +ATOM 1081 CZ ARG A 217 43.912 54.502 89.638 1.00 59.25 C +ATOM 1082 NH1 ARG A 217 44.275 54.881 88.417 1.00 57.11 N +ATOM 1083 NH2 ARG A 217 44.107 53.248 90.028 1.00 59.13 N +ATOM 1084 N THR A 218 40.763 59.117 87.559 1.00 41.59 N +ATOM 1085 CA THR A 218 41.289 59.078 86.195 1.00 43.47 C +ATOM 1086 C THR A 218 40.176 59.252 85.171 1.00 40.98 C +ATOM 1087 O THR A 218 39.355 58.361 84.983 1.00 41.81 O +ATOM 1088 CB THR A 218 42.016 57.749 85.904 1.00 46.93 C +ATOM 1089 OG1 THR A 218 42.533 57.200 87.125 1.00 51.10 O +ATOM 1090 CG2 THR A 218 43.169 57.977 84.926 1.00 47.86 C +ATOM 1091 N GLN A 219 40.147 60.410 84.520 1.00 41.35 N +ATOM 1092 CA GLN A 219 39.131 60.703 83.511 1.00 42.73 C +ATOM 1093 C GLN A 219 39.785 60.952 82.152 1.00 41.14 C +ATOM 1094 O GLN A 219 40.984 61.216 82.071 1.00 38.76 O +ATOM 1095 CB GLN A 219 38.301 61.932 83.907 1.00 44.28 C +ATOM 1096 CG GLN A 219 38.386 62.322 85.374 1.00 48.11 C +ATOM 1097 CD GLN A 219 37.338 63.349 85.755 1.00 49.53 C +ATOM 1098 OE1 GLN A 219 36.888 63.395 86.898 1.00 50.73 O +ATOM 1099 NE2 GLN A 219 36.942 64.178 84.794 1.00 47.57 N +ATOM 1100 N PHE A 220 38.987 60.860 81.091 1.00 39.39 N +ATOM 1101 CA PHE A 220 39.466 61.056 79.725 1.00 35.72 C +ATOM 1102 C PHE A 220 38.392 61.776 78.904 1.00 36.70 C +ATOM 1103 O PHE A 220 37.199 61.640 79.176 1.00 37.22 O +ATOM 1104 CB PHE A 220 39.788 59.698 79.084 1.00 29.44 C +ATOM 1105 CG PHE A 220 40.415 58.704 80.031 1.00 25.54 C +ATOM 1106 CD1 PHE A 220 39.626 57.965 80.915 1.00 26.45 C +ATOM 1107 CD2 PHE A 220 41.793 58.485 80.026 1.00 22.56 C +ATOM 1108 CE1 PHE A 220 40.201 57.021 81.778 1.00 21.71 C +ATOM 1109 CE2 PHE A 220 42.383 57.538 80.886 1.00 26.78 C +ATOM 1110 CZ PHE A 220 41.582 56.807 81.761 1.00 21.05 C +ATOM 1111 N ASN A 221 38.812 62.535 77.895 1.00 39.38 N +ATOM 1112 CA ASN A 221 37.874 63.273 77.049 1.00 40.28 C +ATOM 1113 C ASN A 221 37.168 62.412 76.000 1.00 38.62 C +ATOM 1114 O ASN A 221 36.313 62.905 75.254 1.00 39.00 O +ATOM 1115 CB ASN A 221 38.598 64.425 76.351 1.00 45.87 C +ATOM 1116 CG ASN A 221 39.509 65.182 77.286 1.00 52.30 C +ATOM 1117 OD1 ASN A 221 40.706 64.897 77.368 1.00 57.24 O +ATOM 1118 ND2 ASN A 221 38.949 66.152 78.006 1.00 55.52 N +ATOM 1119 N SER A 222 37.521 61.132 75.938 1.00 34.34 N +ATOM 1120 CA SER A 222 36.907 60.228 74.971 1.00 29.74 C +ATOM 1121 C SER A 222 37.096 58.777 75.362 1.00 26.74 C +ATOM 1122 O SER A 222 37.997 58.442 76.132 1.00 27.69 O +ATOM 1123 CB SER A 222 37.518 60.436 73.583 1.00 27.58 C +ATOM 1124 OG SER A 222 38.812 59.848 73.504 1.00 22.98 O +ATOM 1125 N LEU A 223 36.241 57.926 74.803 1.00 26.48 N +ATOM 1126 CA LEU A 223 36.287 56.491 75.037 1.00 23.93 C +ATOM 1127 C LEU A 223 37.613 55.948 74.500 1.00 23.71 C +ATOM 1128 O LEU A 223 38.270 55.139 75.149 1.00 24.75 O +ATOM 1129 CB LEU A 223 35.107 55.812 74.324 1.00 26.85 C +ATOM 1130 CG LEU A 223 33.868 55.338 75.105 1.00 27.01 C +ATOM 1131 CD1 LEU A 223 33.576 56.249 76.279 1.00 28.97 C +ATOM 1132 CD2 LEU A 223 32.677 55.295 74.171 1.00 21.12 C +ATOM 1133 N GLN A 224 38.022 56.407 73.321 1.00 24.77 N +ATOM 1134 CA GLN A 224 39.274 55.929 72.745 1.00 25.59 C +ATOM 1135 C GLN A 224 40.491 56.314 73.585 1.00 23.06 C +ATOM 1136 O GLN A 224 41.507 55.622 73.561 1.00 22.61 O +ATOM 1137 CB GLN A 224 39.433 56.428 71.300 1.00 30.58 C +ATOM 1138 CG GLN A 224 38.650 57.690 70.977 1.00 38.38 C +ATOM 1139 CD GLN A 224 37.224 57.419 70.538 1.00 40.11 C +ATOM 1140 OE1 GLN A 224 36.977 56.957 69.419 1.00 40.13 O +ATOM 1141 NE2 GLN A 224 36.272 57.719 71.417 1.00 40.30 N +ATOM 1142 N GLN A 225 40.395 57.403 74.340 1.00 24.47 N +ATOM 1143 CA GLN A 225 41.514 57.813 75.186 1.00 25.69 C +ATOM 1144 C GLN A 225 41.569 56.854 76.363 1.00 23.88 C +ATOM 1145 O GLN A 225 42.630 56.358 76.733 1.00 24.88 O +ATOM 1146 CB GLN A 225 41.314 59.238 75.698 1.00 31.16 C +ATOM 1147 CG GLN A 225 42.166 60.269 74.992 1.00 37.05 C +ATOM 1148 CD GLN A 225 41.494 61.628 74.937 1.00 39.89 C +ATOM 1149 OE1 GLN A 225 42.128 62.631 74.619 1.00 43.97 O +ATOM 1150 NE2 GLN A 225 40.203 61.667 75.251 1.00 41.42 N +ATOM 1151 N LEU A 226 40.406 56.596 76.944 1.00 25.97 N +ATOM 1152 CA LEU A 226 40.284 55.675 78.067 1.00 23.72 C +ATOM 1153 C LEU A 226 40.905 54.325 77.689 1.00 25.20 C +ATOM 1154 O LEU A 226 41.807 53.829 78.368 1.00 26.51 O +ATOM 1155 CB LEU A 226 38.804 55.490 78.409 1.00 23.80 C +ATOM 1156 CG LEU A 226 38.431 54.809 79.726 1.00 22.34 C +ATOM 1157 CD1 LEU A 226 37.050 55.287 80.144 1.00 21.41 C +ATOM 1158 CD2 LEU A 226 38.442 53.294 79.554 1.00 23.43 C +ATOM 1159 N VAL A 227 40.425 53.743 76.593 1.00 24.65 N +ATOM 1160 CA VAL A 227 40.925 52.451 76.120 1.00 23.85 C +ATOM 1161 C VAL A 227 42.437 52.460 75.894 1.00 22.46 C +ATOM 1162 O VAL A 227 43.121 51.484 76.200 1.00 24.86 O +ATOM 1163 CB VAL A 227 40.204 52.023 74.807 1.00 20.58 C +ATOM 1164 CG1 VAL A 227 40.892 50.818 74.186 1.00 21.04 C +ATOM 1165 CG2 VAL A 227 38.760 51.692 75.101 1.00 19.69 C +ATOM 1166 N ALA A 228 42.962 53.562 75.370 1.00 21.99 N +ATOM 1167 CA ALA A 228 44.394 53.664 75.114 1.00 25.85 C +ATOM 1168 C ALA A 228 45.208 53.631 76.410 1.00 28.54 C +ATOM 1169 O ALA A 228 46.339 53.131 76.437 1.00 28.09 O +ATOM 1170 CB ALA A 228 44.696 54.944 74.348 1.00 26.67 C +ATOM 1171 N TYR A 229 44.632 54.166 77.482 1.00 29.58 N +ATOM 1172 CA TYR A 229 45.320 54.198 78.768 1.00 31.10 C +ATOM 1173 C TYR A 229 45.481 52.813 79.387 1.00 29.78 C +ATOM 1174 O TYR A 229 46.594 52.402 79.731 1.00 29.64 O +ATOM 1175 CB TYR A 229 44.580 55.098 79.765 1.00 33.53 C +ATOM 1176 CG TYR A 229 45.312 55.182 81.082 1.00 39.45 C +ATOM 1177 CD1 TYR A 229 46.642 55.603 81.123 1.00 42.29 C +ATOM 1178 CD2 TYR A 229 44.707 54.785 82.279 1.00 41.41 C +ATOM 1179 CE1 TYR A 229 47.359 55.627 82.315 1.00 43.99 C +ATOM 1180 CE2 TYR A 229 45.422 54.805 83.486 1.00 42.93 C +ATOM 1181 CZ TYR A 229 46.749 55.228 83.489 1.00 43.38 C +ATOM 1182 OH TYR A 229 47.483 55.260 84.654 1.00 44.48 O +ATOM 1183 N TYR A 230 44.361 52.105 79.525 1.00 31.21 N +ATOM 1184 CA TYR A 230 44.337 50.773 80.120 1.00 29.58 C +ATOM 1185 C TYR A 230 44.965 49.690 79.245 1.00 31.19 C +ATOM 1186 O TYR A 230 45.025 48.524 79.628 1.00 31.64 O +ATOM 1187 CB TYR A 230 42.902 50.417 80.496 1.00 27.65 C +ATOM 1188 CG TYR A 230 42.361 51.311 81.593 1.00 26.39 C +ATOM 1189 CD1 TYR A 230 42.951 51.322 82.860 1.00 28.46 C +ATOM 1190 CD2 TYR A 230 41.271 52.158 81.364 1.00 26.63 C +ATOM 1191 CE1 TYR A 230 42.467 52.156 83.879 1.00 28.46 C +ATOM 1192 CE2 TYR A 230 40.778 52.997 82.375 1.00 28.13 C +ATOM 1193 CZ TYR A 230 41.382 52.987 83.631 1.00 30.15 C +ATOM 1194 OH TYR A 230 40.884 53.788 84.639 1.00 32.36 O +ATOM 1195 N SER A 231 45.438 50.083 78.067 1.00 29.67 N +ATOM 1196 CA SER A 231 46.110 49.151 77.179 1.00 28.44 C +ATOM 1197 C SER A 231 47.580 49.175 77.584 1.00 27.31 C +ATOM 1198 O SER A 231 48.353 48.296 77.212 1.00 29.30 O +ATOM 1199 CB SER A 231 45.959 49.590 75.720 1.00 27.78 C +ATOM 1200 OG SER A 231 44.652 49.310 75.240 1.00 27.65 O +ATOM 1201 N LYS A 232 47.960 50.194 78.351 1.00 26.42 N +ATOM 1202 CA LYS A 232 49.337 50.327 78.809 1.00 29.19 C +ATOM 1203 C LYS A 232 49.474 50.001 80.289 1.00 28.34 C +ATOM 1204 O LYS A 232 50.492 49.460 80.717 1.00 28.37 O +ATOM 1205 CB LYS A 232 49.860 51.745 78.577 1.00 34.20 C +ATOM 1206 CG LYS A 232 49.350 52.429 77.328 1.00 41.50 C +ATOM 1207 CD LYS A 232 50.186 53.668 77.011 1.00 44.88 C +ATOM 1208 CE LYS A 232 49.822 54.846 77.918 1.00 48.27 C +ATOM 1209 NZ LYS A 232 48.918 55.835 77.249 1.00 50.24 N +ATOM 1210 N HIS A 233 48.455 50.344 81.068 1.00 27.84 N +ATOM 1211 CA HIS A 233 48.482 50.094 82.506 1.00 29.05 C +ATOM 1212 C HIS A 233 47.125 49.659 83.009 1.00 29.57 C +ATOM 1213 O HIS A 233 46.126 50.337 82.764 1.00 31.50 O +ATOM 1214 CB HIS A 233 48.881 51.358 83.272 1.00 30.05 C +ATOM 1215 CG HIS A 233 50.078 52.061 82.715 1.00 28.27 C +ATOM 1216 ND1 HIS A 233 51.367 51.625 82.934 1.00 28.96 N +ATOM 1217 CD2 HIS A 233 50.184 53.199 81.988 1.00 29.07 C +ATOM 1218 CE1 HIS A 233 52.216 52.463 82.366 1.00 26.55 C +ATOM 1219 NE2 HIS A 233 51.524 53.428 81.786 1.00 27.06 N +ATOM 1220 N ALA A 234 47.087 48.539 83.727 1.00 31.03 N +ATOM 1221 CA ALA A 234 45.837 48.030 84.291 1.00 30.82 C +ATOM 1222 C ALA A 234 45.216 49.067 85.245 1.00 30.36 C +ATOM 1223 O ALA A 234 44.004 49.257 85.272 1.00 26.42 O +ATOM 1224 CB ALA A 234 46.096 46.724 85.025 1.00 31.63 C +ATOM 1225 N ASP A 235 46.060 49.728 86.033 1.00 35.25 N +ATOM 1226 CA ASP A 235 45.603 50.764 86.958 1.00 37.81 C +ATOM 1227 C ASP A 235 44.266 50.480 87.623 1.00 39.99 C +ATOM 1228 O ASP A 235 43.314 51.244 87.440 1.00 41.29 O +ATOM 1229 CB ASP A 235 45.478 52.094 86.218 1.00 39.25 C +ATOM 1230 CG ASP A 235 46.562 53.070 86.584 1.00 39.31 C +ATOM 1231 OD1 ASP A 235 47.757 52.723 86.413 1.00 40.81 O +ATOM 1232 OD2 ASP A 235 46.210 54.184 87.036 1.00 39.38 O +ATOM 1233 N GLY A 236 44.179 49.397 88.386 1.00 39.59 N +ATOM 1234 CA GLY A 236 42.923 49.095 89.055 1.00 41.60 C +ATOM 1235 C GLY A 236 42.008 48.088 88.374 1.00 42.22 C +ATOM 1236 O GLY A 236 41.092 47.554 89.000 1.00 42.92 O +ATOM 1237 N LEU A 237 42.238 47.825 87.093 1.00 39.92 N +ATOM 1238 CA LEU A 237 41.413 46.867 86.371 1.00 37.71 C +ATOM 1239 C LEU A 237 41.990 45.473 86.583 1.00 38.40 C +ATOM 1240 O LEU A 237 43.162 45.327 86.925 1.00 36.72 O +ATOM 1241 CB LEU A 237 41.383 47.210 84.881 1.00 35.05 C +ATOM 1242 CG LEU A 237 40.718 48.532 84.481 1.00 29.29 C +ATOM 1243 CD1 LEU A 237 40.551 48.564 82.980 1.00 30.24 C +ATOM 1244 CD2 LEU A 237 39.373 48.685 85.163 1.00 28.35 C +ATOM 1245 N CYS A 238 41.165 44.452 86.375 1.00 39.44 N +ATOM 1246 CA CYS A 238 41.590 43.065 86.564 1.00 40.17 C +ATOM 1247 C CYS A 238 42.813 42.647 85.740 1.00 38.22 C +ATOM 1248 O CYS A 238 43.500 41.681 86.080 1.00 37.64 O +ATOM 1249 CB CYS A 238 40.419 42.120 86.265 1.00 42.40 C +ATOM 1250 SG CYS A 238 39.717 42.275 84.597 1.00 45.66 S +ATOM 1251 N HIS A 239 43.085 43.374 84.663 1.00 36.23 N +ATOM 1252 CA HIS A 239 44.219 43.061 83.799 1.00 33.49 C +ATOM 1253 C HIS A 239 44.379 44.169 82.765 1.00 31.22 C +ATOM 1254 O HIS A 239 43.416 44.859 82.447 1.00 32.48 O +ATOM 1255 CB HIS A 239 43.980 41.724 83.087 1.00 33.97 C +ATOM 1256 CG HIS A 239 45.175 41.203 82.351 1.00 34.30 C +ATOM 1257 ND1 HIS A 239 45.673 41.805 81.215 1.00 36.78 N +ATOM 1258 CD2 HIS A 239 45.973 40.134 82.587 1.00 35.07 C +ATOM 1259 CE1 HIS A 239 46.724 41.131 80.784 1.00 34.39 C +ATOM 1260 NE2 HIS A 239 46.927 40.112 81.599 1.00 36.57 N +ATOM 1261 N ARG A 240 45.587 44.351 82.247 1.00 29.47 N +ATOM 1262 CA ARG A 240 45.797 45.376 81.237 1.00 29.78 C +ATOM 1263 C ARG A 240 44.993 44.962 80.005 1.00 31.58 C +ATOM 1264 O ARG A 240 44.869 43.766 79.722 1.00 31.01 O +ATOM 1265 CB ARG A 240 47.278 45.480 80.883 1.00 30.18 C +ATOM 1266 CG ARG A 240 47.569 46.450 79.755 1.00 34.70 C +ATOM 1267 CD ARG A 240 49.062 46.545 79.477 1.00 40.72 C +ATOM 1268 NE ARG A 240 49.605 45.284 78.980 1.00 46.20 N +ATOM 1269 CZ ARG A 240 49.407 44.810 77.751 1.00 50.65 C +ATOM 1270 NH1 ARG A 240 48.675 45.493 76.874 1.00 49.69 N +ATOM 1271 NH2 ARG A 240 49.946 43.648 77.398 1.00 51.04 N +ATOM 1272 N LEU A 241 44.421 45.937 79.296 1.00 30.14 N +ATOM 1273 CA LEU A 241 43.651 45.643 78.091 1.00 28.44 C +ATOM 1274 C LEU A 241 44.673 45.146 77.074 1.00 27.90 C +ATOM 1275 O LEU A 241 45.605 45.862 76.709 1.00 26.49 O +ATOM 1276 CB LEU A 241 42.939 46.903 77.583 1.00 24.90 C +ATOM 1277 CG LEU A 241 41.867 47.517 78.490 1.00 21.04 C +ATOM 1278 CD1 LEU A 241 41.041 48.501 77.689 1.00 21.02 C +ATOM 1279 CD2 LEU A 241 40.970 46.443 79.063 1.00 18.26 C +ATOM 1280 N THR A 242 44.501 43.908 76.623 1.00 29.00 N +ATOM 1281 CA THR A 242 45.453 43.307 75.694 1.00 30.00 C +ATOM 1282 C THR A 242 44.996 43.032 74.259 1.00 28.68 C +ATOM 1283 O THR A 242 45.689 43.384 73.310 1.00 33.59 O +ATOM 1284 CB THR A 242 45.979 41.966 76.261 1.00 28.04 C +ATOM 1285 OG1 THR A 242 44.899 41.023 76.320 1.00 25.10 O +ATOM 1286 CG2 THR A 242 46.555 42.156 77.657 1.00 23.19 C +ATOM 1287 N THR A 243 43.837 42.403 74.104 1.00 28.65 N +ATOM 1288 CA THR A 243 43.342 42.019 72.783 1.00 28.45 C +ATOM 1289 C THR A 243 41.888 42.404 72.553 1.00 23.88 C +ATOM 1290 O THR A 243 41.060 42.271 73.450 1.00 23.10 O +ATOM 1291 CB THR A 243 43.482 40.471 72.601 1.00 29.31 C +ATOM 1292 OG1 THR A 243 44.862 40.131 72.415 1.00 35.37 O +ATOM 1293 CG2 THR A 243 42.671 39.970 71.411 1.00 31.41 C +ATOM 1294 N VAL A 244 41.577 42.881 71.348 1.00 21.48 N +ATOM 1295 CA VAL A 244 40.199 43.240 71.020 1.00 19.82 C +ATOM 1296 C VAL A 244 39.424 41.937 70.831 1.00 19.23 C +ATOM 1297 O VAL A 244 39.901 41.014 70.176 1.00 20.21 O +ATOM 1298 CB VAL A 244 40.093 44.068 69.702 1.00 19.28 C +ATOM 1299 CG1 VAL A 244 38.637 44.447 69.445 1.00 17.03 C +ATOM 1300 CG2 VAL A 244 40.952 45.309 69.791 1.00 19.72 C +ATOM 1301 N CYS A 245 38.235 41.871 71.416 1.00 21.01 N +ATOM 1302 CA CYS A 245 37.391 40.697 71.325 1.00 21.71 C +ATOM 1303 C CYS A 245 37.064 40.354 69.883 1.00 24.83 C +ATOM 1304 O CYS A 245 36.492 41.166 69.156 1.00 25.13 O +ATOM 1305 CB CYS A 245 36.082 40.925 72.084 1.00 21.10 C +ATOM 1306 SG CYS A 245 35.084 39.439 72.277 1.00 22.12 S +ATOM 1307 N PRO A 246 37.426 39.143 69.444 1.00 24.02 N +ATOM 1308 CA PRO A 246 37.110 38.801 68.060 1.00 25.07 C +ATOM 1309 C PRO A 246 35.631 38.487 67.916 1.00 24.81 C +ATOM 1310 O PRO A 246 34.952 38.124 68.879 1.00 23.11 O +ATOM 1311 CB PRO A 246 38.000 37.597 67.772 1.00 24.08 C +ATOM 1312 CG PRO A 246 38.219 36.972 69.102 1.00 26.24 C +ATOM 1313 CD PRO A 246 38.136 38.060 70.141 1.00 22.98 C +ATOM 1314 N THR A 247 35.130 38.640 66.703 1.00 28.36 N +ATOM 1315 CA THR A 247 33.731 38.374 66.434 1.00 31.75 C +ATOM 1316 C THR A 247 33.591 37.861 65.002 1.00 33.85 C +ATOM 1317 O THR A 247 34.539 37.923 64.218 1.00 33.80 O +ATOM 1318 CB THR A 247 32.897 39.663 66.643 1.00 33.82 C +ATOM 1319 OG1 THR A 247 31.503 39.338 66.686 1.00 35.59 O +ATOM 1320 CG2 THR A 247 33.171 40.664 65.531 1.00 32.60 C +ATOM 1321 N SER A 248 32.416 37.337 64.669 1.00 36.45 N +ATOM 1322 CA SER A 248 32.169 36.820 63.329 1.00 36.99 C +ATOM 1323 C SER A 248 31.479 37.871 62.456 1.00 37.13 C +ATOM 1324 O SER A 248 30.742 38.723 62.953 1.00 37.25 O +ATOM 1325 CB SER A 248 31.298 35.566 63.408 1.00 35.70 C +ATOM 1326 OG SER A 248 30.104 35.832 64.123 1.00 39.80 O +ATOM 1327 N LYS A 249 31.738 37.809 61.155 1.00 36.20 N +ATOM 1328 CA LYS A 249 31.132 38.733 60.203 1.00 35.19 C +ATOM 1329 C LYS A 249 29.619 38.674 60.372 1.00 35.24 C +ATOM 1330 O LYS A 249 29.054 37.595 60.561 1.00 38.85 O +ATOM 1331 CB LYS A 249 31.483 38.327 58.766 1.00 34.43 C +ATOM 1332 CG LYS A 249 32.878 38.707 58.333 1.00 32.63 C +ATOM 1333 CD LYS A 249 33.243 38.077 57.005 1.00 30.35 C +ATOM 1334 CE LYS A 249 34.746 38.050 56.824 1.00 31.48 C +ATOM 1335 NZ LYS A 249 35.131 37.837 55.405 1.00 37.08 N +ATOM 1336 N PRO A 250 28.939 39.833 60.313 1.00 32.79 N +ATOM 1337 CA PRO A 250 27.482 39.808 60.466 1.00 29.84 C +ATOM 1338 C PRO A 250 26.812 39.356 59.178 1.00 29.69 C +ATOM 1339 O PRO A 250 27.402 39.423 58.096 1.00 29.95 O +ATOM 1340 CB PRO A 250 27.114 41.251 60.814 1.00 25.65 C +ATOM 1341 CG PRO A 250 28.293 42.072 60.458 1.00 26.34 C +ATOM 1342 CD PRO A 250 29.458 41.194 60.114 1.00 29.64 C +ATOM 1343 N GLN A 251 25.580 38.885 59.307 1.00 28.76 N +ATOM 1344 CA GLN A 251 24.814 38.447 58.157 1.00 29.86 C +ATOM 1345 C GLN A 251 24.399 39.693 57.393 1.00 30.35 C +ATOM 1346 O GLN A 251 24.036 40.711 57.994 1.00 26.19 O +ATOM 1347 CB GLN A 251 23.551 37.708 58.597 1.00 34.74 C +ATOM 1348 CG GLN A 251 23.805 36.399 59.300 1.00 38.76 C +ATOM 1349 CD GLN A 251 23.760 35.235 58.348 1.00 40.87 C +ATOM 1350 OE1 GLN A 251 22.694 34.872 57.839 1.00 43.93 O +ATOM 1351 NE2 GLN A 251 24.918 34.636 58.093 1.00 41.69 N +ATOM 1352 N THR A 252 24.473 39.617 56.070 1.00 26.38 N +ATOM 1353 CA THR A 252 24.054 40.731 55.242 1.00 24.17 C +ATOM 1354 C THR A 252 22.556 40.516 55.175 1.00 23.43 C +ATOM 1355 O THR A 252 22.078 39.418 55.463 1.00 26.02 O +ATOM 1356 CB THR A 252 24.652 40.644 53.810 1.00 23.14 C +ATOM 1357 OG1 THR A 252 24.211 39.434 53.175 1.00 18.89 O +ATOM 1358 CG2 THR A 252 26.182 40.667 53.858 1.00 17.56 C +ATOM 1359 N GLN A 253 21.804 41.551 54.831 1.00 26.39 N +ATOM 1360 CA GLN A 253 20.365 41.388 54.712 1.00 27.90 C +ATOM 1361 C GLN A 253 20.096 41.027 53.251 1.00 27.57 C +ATOM 1362 O GLN A 253 20.055 41.891 52.372 1.00 28.60 O +ATOM 1363 CB GLN A 253 19.642 42.668 55.123 1.00 31.21 C +ATOM 1364 CG GLN A 253 19.515 42.842 56.649 1.00 38.13 C +ATOM 1365 CD GLN A 253 19.378 41.507 57.414 1.00 42.89 C +ATOM 1366 OE1 GLN A 253 18.309 40.878 57.422 1.00 38.16 O +ATOM 1367 NE2 GLN A 253 20.465 41.084 58.067 1.00 42.95 N +ATOM 1368 N GLY A 254 19.937 39.730 53.005 1.00 26.84 N +ATOM 1369 CA GLY A 254 19.720 39.243 51.656 1.00 22.97 C +ATOM 1370 C GLY A 254 21.058 38.804 51.088 1.00 21.43 C +ATOM 1371 O GLY A 254 22.110 39.157 51.622 1.00 20.90 O +ATOM 1372 N LEU A 255 21.036 38.030 50.009 1.00 19.22 N +ATOM 1373 CA LEU A 255 22.279 37.575 49.410 1.00 18.21 C +ATOM 1374 C LEU A 255 22.967 38.721 48.671 1.00 15.03 C +ATOM 1375 O LEU A 255 24.189 38.772 48.581 1.00 14.89 O +ATOM 1376 CB LEU A 255 22.007 36.421 48.438 1.00 20.37 C +ATOM 1377 CG LEU A 255 21.448 35.129 49.044 1.00 20.71 C +ATOM 1378 CD1 LEU A 255 20.651 34.358 47.992 1.00 21.70 C +ATOM 1379 CD2 LEU A 255 22.588 34.283 49.580 1.00 20.77 C +ATOM 1380 N ALA A 256 22.170 39.637 48.142 1.00 16.63 N +ATOM 1381 CA ALA A 256 22.699 40.771 47.403 1.00 19.16 C +ATOM 1382 C ALA A 256 21.567 41.760 47.175 1.00 19.45 C +ATOM 1383 O ALA A 256 20.413 41.480 47.502 1.00 18.65 O +ATOM 1384 CB ALA A 256 23.265 40.302 46.058 1.00 21.74 C +ATOM 1385 N LYS A 257 21.901 42.914 46.611 1.00 20.90 N +ATOM 1386 CA LYS A 257 20.916 43.953 46.329 1.00 23.74 C +ATOM 1387 C LYS A 257 19.777 43.425 45.457 1.00 25.86 C +ATOM 1388 O LYS A 257 20.016 42.857 44.394 1.00 27.28 O +ATOM 1389 CB LYS A 257 21.596 45.121 45.617 1.00 26.81 C +ATOM 1390 CG LYS A 257 20.960 46.454 45.891 1.00 30.53 C +ATOM 1391 CD LYS A 257 20.673 47.182 44.608 1.00 37.85 C +ATOM 1392 CE LYS A 257 19.720 48.330 44.856 1.00 43.52 C +ATOM 1393 NZ LYS A 257 19.765 48.768 46.285 1.00 49.40 N +ATOM 1394 N ASP A 258 18.544 43.605 45.922 1.00 26.75 N +ATOM 1395 CA ASP A 258 17.344 43.183 45.196 1.00 31.30 C +ATOM 1396 C ASP A 258 17.163 41.685 44.912 1.00 30.38 C +ATOM 1397 O ASP A 258 16.320 41.313 44.097 1.00 32.75 O +ATOM 1398 CB ASP A 258 17.233 43.965 43.876 1.00 31.55 C +ATOM 1399 CG ASP A 258 17.156 45.469 44.089 1.00 32.40 C +ATOM 1400 OD1 ASP A 258 16.334 45.919 44.915 1.00 32.01 O +ATOM 1401 OD2 ASP A 258 17.920 46.204 43.429 1.00 34.11 O +ATOM 1402 N ALA A 259 17.937 40.828 45.574 1.00 29.73 N +ATOM 1403 CA ALA A 259 17.813 39.376 45.379 1.00 28.40 C +ATOM 1404 C ALA A 259 16.785 38.776 46.350 1.00 26.01 C +ATOM 1405 O ALA A 259 16.908 38.943 47.561 1.00 24.80 O +ATOM 1406 CB ALA A 259 19.178 38.691 45.575 1.00 25.82 C +ATOM 1407 N TRP A 260 15.784 38.078 45.815 1.00 23.45 N +ATOM 1408 CA TRP A 260 14.742 37.460 46.635 1.00 24.53 C +ATOM 1409 C TRP A 260 14.178 36.213 45.949 1.00 25.13 C +ATOM 1410 O TRP A 260 14.456 35.089 46.371 1.00 21.31 O +ATOM 1411 CB TRP A 260 13.612 38.463 46.915 1.00 26.16 C +ATOM 1412 CG TRP A 260 12.421 37.857 47.626 1.00 31.54 C +ATOM 1413 CD1 TRP A 260 11.117 37.883 47.213 1.00 31.14 C +ATOM 1414 CD2 TRP A 260 12.435 37.116 48.860 1.00 31.85 C +ATOM 1415 NE1 TRP A 260 10.322 37.205 48.110 1.00 31.75 N +ATOM 1416 CE2 TRP A 260 11.103 36.727 49.128 1.00 31.46 C +ATOM 1417 CE3 TRP A 260 13.446 36.748 49.762 1.00 30.22 C +ATOM 1418 CZ2 TRP A 260 10.754 35.981 50.262 1.00 30.43 C +ATOM 1419 CZ3 TRP A 260 13.096 36.005 50.891 1.00 29.99 C +ATOM 1420 CH2 TRP A 260 11.761 35.632 51.128 1.00 28.10 C +ATOM 1421 N GLU A 261 13.360 36.413 44.917 1.00 26.31 N +ATOM 1422 CA GLU A 261 12.805 35.294 44.154 1.00 27.05 C +ATOM 1423 C GLU A 261 13.890 35.057 43.109 1.00 25.97 C +ATOM 1424 O GLU A 261 13.938 35.739 42.092 1.00 27.49 O +ATOM 1425 CB GLU A 261 11.476 35.688 43.496 1.00 28.31 C +ATOM 1426 CG GLU A 261 10.249 35.334 44.345 1.00 38.84 C +ATOM 1427 CD GLU A 261 9.055 36.261 44.123 1.00 43.85 C +ATOM 1428 OE1 GLU A 261 8.256 36.012 43.195 1.00 44.81 O +ATOM 1429 OE2 GLU A 261 8.905 37.237 44.888 1.00 47.44 O +ATOM 1430 N ILE A 262 14.774 34.104 43.382 1.00 21.57 N +ATOM 1431 CA ILE A 262 15.907 33.812 42.511 1.00 21.16 C +ATOM 1432 C ILE A 262 15.707 32.670 41.512 1.00 21.32 C +ATOM 1433 O ILE A 262 14.850 31.804 41.699 1.00 19.52 O +ATOM 1434 CB ILE A 262 17.162 33.499 43.361 1.00 20.04 C +ATOM 1435 CG1 ILE A 262 16.911 32.262 44.249 1.00 16.99 C +ATOM 1436 CG2 ILE A 262 17.515 34.716 44.219 1.00 17.80 C +ATOM 1437 CD1 ILE A 262 18.138 31.809 45.039 1.00 11.16 C +ATOM 1438 N PRO A 263 16.498 32.665 40.427 1.00 21.42 N +ATOM 1439 CA PRO A 263 16.409 31.621 39.399 1.00 22.05 C +ATOM 1440 C PRO A 263 16.921 30.279 39.913 1.00 20.04 C +ATOM 1441 O PRO A 263 17.982 30.216 40.536 1.00 21.52 O +ATOM 1442 CB PRO A 263 17.284 32.155 38.270 1.00 21.78 C +ATOM 1443 CG PRO A 263 18.253 33.042 38.945 1.00 23.17 C +ATOM 1444 CD PRO A 263 17.511 33.678 40.085 1.00 21.16 C +ATOM 1445 N ARG A 264 16.174 29.213 39.639 1.00 20.01 N +ATOM 1446 CA ARG A 264 16.555 27.865 40.070 1.00 21.65 C +ATOM 1447 C ARG A 264 17.992 27.511 39.714 1.00 20.59 C +ATOM 1448 O ARG A 264 18.681 26.839 40.480 1.00 22.19 O +ATOM 1449 CB ARG A 264 15.614 26.821 39.454 1.00 22.52 C +ATOM 1450 CG ARG A 264 15.844 25.403 39.956 1.00 24.75 C +ATOM 1451 CD ARG A 264 14.834 24.422 39.369 1.00 20.57 C +ATOM 1452 NE ARG A 264 13.450 24.834 39.597 1.00 22.48 N +ATOM 1453 CZ ARG A 264 12.776 24.631 40.729 1.00 22.14 C +ATOM 1454 NH1 ARG A 264 13.354 24.023 41.757 1.00 22.02 N +ATOM 1455 NH2 ARG A 264 11.521 25.043 40.834 1.00 20.83 N +ATOM 1456 N GLU A 265 18.453 27.971 38.556 1.00 20.46 N +ATOM 1457 CA GLU A 265 19.810 27.676 38.107 1.00 21.25 C +ATOM 1458 C GLU A 265 20.931 28.419 38.836 1.00 19.26 C +ATOM 1459 O GLU A 265 22.105 28.141 38.602 1.00 18.58 O +ATOM 1460 CB GLU A 265 19.928 27.931 36.601 1.00 29.16 C +ATOM 1461 CG GLU A 265 19.599 29.350 36.184 1.00 35.78 C +ATOM 1462 CD GLU A 265 18.141 29.525 35.798 1.00 44.60 C +ATOM 1463 OE1 GLU A 265 17.326 28.612 36.080 1.00 45.28 O +ATOM 1464 OE2 GLU A 265 17.813 30.581 35.210 1.00 49.39 O +ATOM 1465 N SER A 266 20.593 29.361 39.716 1.00 20.80 N +ATOM 1466 CA SER A 266 21.636 30.089 40.441 1.00 19.07 C +ATOM 1467 C SER A 266 22.183 29.289 41.617 1.00 20.00 C +ATOM 1468 O SER A 266 23.085 29.745 42.307 1.00 21.54 O +ATOM 1469 CB SER A 266 21.118 31.446 40.945 1.00 18.70 C +ATOM 1470 OG SER A 266 20.026 31.303 41.834 1.00 19.79 O +ATOM 1471 N LEU A 267 21.647 28.094 41.841 1.00 19.43 N +ATOM 1472 CA LEU A 267 22.103 27.265 42.960 1.00 23.57 C +ATOM 1473 C LEU A 267 22.713 25.913 42.566 1.00 24.65 C +ATOM 1474 O LEU A 267 22.258 25.256 41.627 1.00 26.12 O +ATOM 1475 CB LEU A 267 20.939 27.008 43.926 1.00 21.87 C +ATOM 1476 CG LEU A 267 20.296 28.190 44.652 1.00 20.91 C +ATOM 1477 CD1 LEU A 267 18.900 27.792 45.069 1.00 20.93 C +ATOM 1478 CD2 LEU A 267 21.137 28.605 45.860 1.00 15.15 C +ATOM 1479 N ARG A 268 23.745 25.504 43.294 1.00 23.48 N +ATOM 1480 CA ARG A 268 24.381 24.218 43.058 1.00 25.66 C +ATOM 1481 C ARG A 268 24.336 23.427 44.357 1.00 22.50 C +ATOM 1482 O ARG A 268 24.854 23.885 45.377 1.00 24.09 O +ATOM 1483 CB ARG A 268 25.837 24.394 42.619 1.00 30.77 C +ATOM 1484 CG ARG A 268 26.259 25.839 42.433 1.00 45.17 C +ATOM 1485 CD ARG A 268 26.928 26.083 41.070 1.00 50.86 C +ATOM 1486 NE ARG A 268 26.303 27.177 40.319 1.00 51.13 N +ATOM 1487 CZ ARG A 268 25.908 28.331 40.852 1.00 50.54 C +ATOM 1488 NH1 ARG A 268 26.068 28.558 42.153 1.00 43.81 N +ATOM 1489 NH2 ARG A 268 25.350 29.258 40.084 1.00 48.92 N +ATOM 1490 N LEU A 269 23.691 22.263 44.327 1.00 19.87 N +ATOM 1491 CA LEU A 269 23.597 21.396 45.507 1.00 18.52 C +ATOM 1492 C LEU A 269 24.895 20.615 45.599 1.00 20.86 C +ATOM 1493 O LEU A 269 25.353 20.040 44.605 1.00 21.52 O +ATOM 1494 CB LEU A 269 22.419 20.431 45.375 1.00 17.07 C +ATOM 1495 CG LEU A 269 21.040 21.079 45.229 1.00 19.58 C +ATOM 1496 CD1 LEU A 269 19.931 20.065 45.458 1.00 14.81 C +ATOM 1497 CD2 LEU A 269 20.930 22.213 46.207 1.00 25.73 C +ATOM 1498 N GLU A 270 25.494 20.586 46.783 1.00 19.64 N +ATOM 1499 CA GLU A 270 26.766 19.894 46.947 1.00 22.49 C +ATOM 1500 C GLU A 270 26.813 18.728 47.928 1.00 25.03 C +ATOM 1501 O GLU A 270 27.352 17.667 47.606 1.00 25.80 O +ATOM 1502 CB GLU A 270 27.844 20.909 47.322 1.00 25.43 C +ATOM 1503 CG GLU A 270 28.288 21.765 46.153 1.00 31.50 C +ATOM 1504 CD GLU A 270 28.756 23.129 46.577 1.00 32.10 C +ATOM 1505 OE1 GLU A 270 29.350 23.235 47.672 1.00 36.98 O +ATOM 1506 OE2 GLU A 270 28.530 24.096 45.817 1.00 33.09 O +ATOM 1507 N VAL A 271 26.266 18.920 49.123 1.00 23.21 N +ATOM 1508 CA VAL A 271 26.277 17.869 50.138 1.00 21.98 C +ATOM 1509 C VAL A 271 24.916 17.716 50.795 1.00 21.90 C +ATOM 1510 O VAL A 271 24.405 18.651 51.410 1.00 24.45 O +ATOM 1511 CB VAL A 271 27.309 18.184 51.228 1.00 21.95 C +ATOM 1512 CG1 VAL A 271 27.375 17.050 52.224 1.00 22.75 C +ATOM 1513 CG2 VAL A 271 28.664 18.426 50.593 1.00 23.77 C +ATOM 1514 N LYS A 272 24.324 16.535 50.654 1.00 20.21 N +ATOM 1515 CA LYS A 272 23.023 16.257 51.249 1.00 20.11 C +ATOM 1516 C LYS A 272 23.181 16.322 52.765 1.00 19.82 C +ATOM 1517 O LYS A 272 24.037 15.642 53.337 1.00 19.80 O +ATOM 1518 CB LYS A 272 22.551 14.862 50.836 1.00 22.79 C +ATOM 1519 CG LYS A 272 21.114 14.538 51.177 1.00 20.88 C +ATOM 1520 CD LYS A 272 20.588 13.493 50.213 1.00 28.51 C +ATOM 1521 CE LYS A 272 19.204 13.053 50.593 1.00 31.26 C +ATOM 1522 NZ LYS A 272 18.942 13.426 52.008 1.00 39.77 N +ATOM 1523 N LEU A 273 22.368 17.137 53.421 1.00 19.82 N +ATOM 1524 CA LEU A 273 22.470 17.250 54.870 1.00 22.88 C +ATOM 1525 C LEU A 273 21.440 16.364 55.554 1.00 25.37 C +ATOM 1526 O LEU A 273 21.668 15.879 56.665 1.00 26.48 O +ATOM 1527 CB LEU A 273 22.300 18.709 55.303 1.00 19.00 C +ATOM 1528 CG LEU A 273 23.377 19.648 54.745 1.00 20.86 C +ATOM 1529 CD1 LEU A 273 23.231 21.029 55.360 1.00 18.19 C +ATOM 1530 CD2 LEU A 273 24.754 19.071 55.029 1.00 15.55 C +ATOM 1531 N GLY A 274 20.315 16.135 54.883 1.00 24.68 N +ATOM 1532 CA GLY A 274 19.292 15.299 55.469 1.00 26.95 C +ATOM 1533 C GLY A 274 17.997 15.234 54.698 1.00 29.22 C +ATOM 1534 O GLY A 274 17.783 15.970 53.732 1.00 26.76 O +ATOM 1535 N GLN A 275 17.126 14.339 55.149 1.00 33.11 N +ATOM 1536 CA GLN A 275 15.827 14.125 54.536 1.00 40.97 C +ATOM 1537 C GLN A 275 14.734 14.243 55.589 1.00 44.46 C +ATOM 1538 O GLN A 275 14.594 13.375 56.450 1.00 47.20 O +ATOM 1539 CB GLN A 275 15.761 12.734 53.904 1.00 42.65 C +ATOM 1540 CG GLN A 275 16.121 12.696 52.433 1.00 50.36 C +ATOM 1541 CD GLN A 275 15.100 11.946 51.600 1.00 55.40 C +ATOM 1542 OE1 GLN A 275 15.289 10.770 51.279 1.00 59.62 O +ATOM 1543 NE2 GLN A 275 14.008 12.624 51.245 1.00 56.99 N +ATOM 1544 N GLY A 276 13.971 15.326 55.527 1.00 46.58 N +ATOM 1545 CA GLY A 276 12.885 15.511 56.468 1.00 47.34 C +ATOM 1546 C GLY A 276 11.722 14.679 55.975 1.00 49.82 C +ATOM 1547 O GLY A 276 11.929 13.659 55.307 1.00 50.76 O +ATOM 1548 N CYS A 277 10.501 15.110 56.272 1.00 49.61 N +ATOM 1549 CA CYS A 277 9.326 14.363 55.847 1.00 50.51 C +ATOM 1550 C CYS A 277 8.720 14.859 54.530 1.00 48.85 C +ATOM 1551 O CYS A 277 8.086 14.086 53.802 1.00 48.14 O +ATOM 1552 CB CYS A 277 8.265 14.399 56.948 1.00 52.00 C +ATOM 1553 SG CYS A 277 6.882 13.281 56.672 1.00 63.12 S +ATOM 1554 N PHE A 278 8.935 16.138 54.220 1.00 43.98 N +ATOM 1555 CA PHE A 278 8.378 16.740 53.010 1.00 37.20 C +ATOM 1556 C PHE A 278 9.411 17.269 52.016 1.00 34.39 C +ATOM 1557 O PHE A 278 9.069 18.035 51.121 1.00 33.29 O +ATOM 1558 CB PHE A 278 7.419 17.872 53.401 1.00 35.79 C +ATOM 1559 CG PHE A 278 6.363 17.457 54.393 1.00 33.88 C +ATOM 1560 CD1 PHE A 278 5.148 16.933 53.957 1.00 30.26 C +ATOM 1561 CD2 PHE A 278 6.592 17.568 55.764 1.00 33.06 C +ATOM 1562 CE1 PHE A 278 4.179 16.525 54.864 1.00 32.15 C +ATOM 1563 CE2 PHE A 278 5.626 17.162 56.683 1.00 32.72 C +ATOM 1564 CZ PHE A 278 4.417 16.638 56.232 1.00 33.05 C +ATOM 1565 N GLY A 279 10.668 16.859 52.172 1.00 32.46 N +ATOM 1566 CA GLY A 279 11.715 17.308 51.267 1.00 30.88 C +ATOM 1567 C GLY A 279 13.112 16.963 51.746 1.00 28.72 C +ATOM 1568 O GLY A 279 13.280 16.122 52.624 1.00 32.64 O +ATOM 1569 N GLU A 280 14.124 17.602 51.170 1.00 24.19 N +ATOM 1570 CA GLU A 280 15.502 17.340 51.564 1.00 20.93 C +ATOM 1571 C GLU A 280 16.208 18.643 51.864 1.00 18.80 C +ATOM 1572 O GLU A 280 15.699 19.718 51.564 1.00 22.15 O +ATOM 1573 CB GLU A 280 16.272 16.635 50.443 1.00 23.70 C +ATOM 1574 CG GLU A 280 15.634 15.382 49.899 1.00 26.51 C +ATOM 1575 CD GLU A 280 16.495 14.740 48.836 1.00 26.98 C +ATOM 1576 OE1 GLU A 280 16.978 15.467 47.949 1.00 30.52 O +ATOM 1577 OE2 GLU A 280 16.696 13.514 48.890 1.00 32.11 O +ATOM 1578 N VAL A 281 17.387 18.544 52.457 1.00 15.12 N +ATOM 1579 CA VAL A 281 18.174 19.724 52.753 1.00 18.94 C +ATOM 1580 C VAL A 281 19.603 19.459 52.285 1.00 20.48 C +ATOM 1581 O VAL A 281 20.151 18.370 52.511 1.00 22.90 O +ATOM 1582 CB VAL A 281 18.145 20.070 54.267 1.00 19.34 C +ATOM 1583 CG1 VAL A 281 18.980 21.324 54.533 1.00 17.58 C +ATOM 1584 CG2 VAL A 281 16.704 20.298 54.718 1.00 17.53 C +ATOM 1585 N TRP A 282 20.191 20.451 51.614 1.00 17.45 N +ATOM 1586 CA TRP A 282 21.545 20.338 51.092 1.00 16.14 C +ATOM 1587 C TRP A 282 22.388 21.549 51.415 1.00 14.97 C +ATOM 1588 O TRP A 282 21.870 22.643 51.591 1.00 19.34 O +ATOM 1589 CB TRP A 282 21.526 20.220 49.569 1.00 17.91 C +ATOM 1590 CG TRP A 282 20.966 18.954 49.021 1.00 18.23 C +ATOM 1591 CD1 TRP A 282 19.652 18.574 48.992 1.00 18.22 C +ATOM 1592 CD2 TRP A 282 21.707 17.904 48.389 1.00 18.33 C +ATOM 1593 NE1 TRP A 282 19.532 17.347 48.378 1.00 18.84 N +ATOM 1594 CE2 TRP A 282 20.778 16.914 47.999 1.00 18.48 C +ATOM 1595 CE3 TRP A 282 23.071 17.704 48.112 1.00 17.08 C +ATOM 1596 CZ2 TRP A 282 21.171 15.735 47.345 1.00 19.01 C +ATOM 1597 CZ3 TRP A 282 23.462 16.533 47.463 1.00 17.66 C +ATOM 1598 CH2 TRP A 282 22.513 15.565 47.088 1.00 17.05 C +ATOM 1599 N MET A 283 23.692 21.339 51.505 1.00 16.04 N +ATOM 1600 CA MET A 283 24.612 22.438 51.704 1.00 16.15 C +ATOM 1601 C MET A 283 24.967 22.772 50.253 1.00 19.77 C +ATOM 1602 O MET A 283 25.230 21.869 49.455 1.00 16.72 O +ATOM 1603 CB MET A 283 25.859 21.991 52.445 1.00 16.57 C +ATOM 1604 CG MET A 283 26.778 23.146 52.765 1.00 21.12 C +ATOM 1605 SD MET A 283 28.455 22.625 53.072 1.00 32.43 S +ATOM 1606 CE MET A 283 28.990 22.247 51.384 1.00 29.36 C +ATOM 1607 N GLY A 284 24.962 24.048 49.893 1.00 18.37 N +ATOM 1608 CA GLY A 284 25.266 24.378 48.515 1.00 19.50 C +ATOM 1609 C GLY A 284 25.899 25.730 48.285 1.00 20.33 C +ATOM 1610 O GLY A 284 26.480 26.331 49.197 1.00 19.26 O +ATOM 1611 N THR A 285 25.771 26.209 47.049 1.00 20.37 N +ATOM 1612 CA THR A 285 26.343 27.488 46.644 1.00 19.30 C +ATOM 1613 C THR A 285 25.413 28.332 45.769 1.00 18.78 C +ATOM 1614 O THR A 285 24.745 27.811 44.867 1.00 17.92 O +ATOM 1615 CB THR A 285 27.654 27.262 45.878 1.00 18.64 C +ATOM 1616 OG1 THR A 285 28.606 26.645 46.750 1.00 21.15 O +ATOM 1617 CG2 THR A 285 28.219 28.584 45.377 1.00 20.25 C +ATOM 1618 N TRP A 286 25.367 29.636 46.055 1.00 19.71 N +ATOM 1619 CA TRP A 286 24.551 30.571 45.278 1.00 20.25 C +ATOM 1620 C TRP A 286 25.456 31.421 44.391 1.00 18.14 C +ATOM 1621 O TRP A 286 26.503 31.903 44.831 1.00 15.08 O +ATOM 1622 CB TRP A 286 23.721 31.507 46.173 1.00 17.68 C +ATOM 1623 CG TRP A 286 22.947 32.544 45.367 1.00 17.66 C +ATOM 1624 CD1 TRP A 286 21.831 32.327 44.597 1.00 17.37 C +ATOM 1625 CD2 TRP A 286 23.262 33.940 45.224 1.00 18.11 C +ATOM 1626 NE1 TRP A 286 21.434 33.498 43.988 1.00 15.56 N +ATOM 1627 CE2 TRP A 286 22.290 34.502 44.354 1.00 17.48 C +ATOM 1628 CE3 TRP A 286 24.268 34.770 45.748 1.00 16.65 C +ATOM 1629 CZ2 TRP A 286 22.297 35.857 43.997 1.00 16.18 C +ATOM 1630 CZ3 TRP A 286 24.274 36.121 45.389 1.00 18.62 C +ATOM 1631 CH2 TRP A 286 23.292 36.647 44.521 1.00 17.74 C +ATOM 1632 N ASN A 287 25.040 31.586 43.138 1.00 21.88 N +ATOM 1633 CA ASN A 287 25.781 32.372 42.158 1.00 23.48 C +ATOM 1634 C ASN A 287 27.242 31.945 42.034 1.00 24.23 C +ATOM 1635 O ASN A 287 28.080 32.709 41.562 1.00 27.54 O +ATOM 1636 CB ASN A 287 25.705 33.847 42.530 1.00 23.27 C +ATOM 1637 CG ASN A 287 25.710 34.747 41.320 1.00 27.45 C +ATOM 1638 OD1 ASN A 287 25.148 34.401 40.280 1.00 27.91 O +ATOM 1639 ND2 ASN A 287 26.350 35.908 41.443 1.00 20.51 N +ATOM 1640 N GLY A 288 27.542 30.723 42.462 1.00 24.75 N +ATOM 1641 CA GLY A 288 28.899 30.217 42.396 1.00 22.42 C +ATOM 1642 C GLY A 288 29.854 30.889 43.362 1.00 24.95 C +ATOM 1643 O GLY A 288 31.068 30.742 43.236 1.00 25.59 O +ATOM 1644 N THR A 289 29.324 31.616 44.340 1.00 24.02 N +ATOM 1645 CA THR A 289 30.187 32.305 45.295 1.00 28.74 C +ATOM 1646 C THR A 289 29.815 32.184 46.781 1.00 25.72 C +ATOM 1647 O THR A 289 30.697 32.117 47.636 1.00 28.30 O +ATOM 1648 CB THR A 289 30.251 33.816 44.982 1.00 30.55 C +ATOM 1649 OG1 THR A 289 28.920 34.358 45.001 1.00 33.32 O +ATOM 1650 CG2 THR A 289 30.881 34.061 43.621 1.00 31.03 C +ATOM 1651 N THR A 290 28.518 32.155 47.079 1.00 24.64 N +ATOM 1652 CA THR A 290 28.041 32.117 48.462 1.00 23.05 C +ATOM 1653 C THR A 290 27.559 30.776 48.999 1.00 22.25 C +ATOM 1654 O THR A 290 26.723 30.108 48.388 1.00 19.49 O +ATOM 1655 CB THR A 290 26.893 33.132 48.656 1.00 24.33 C +ATOM 1656 OG1 THR A 290 27.190 34.325 47.921 1.00 25.46 O +ATOM 1657 CG2 THR A 290 26.710 33.472 50.129 1.00 19.81 C +ATOM 1658 N ARG A 291 28.081 30.406 50.164 1.00 20.86 N +ATOM 1659 CA ARG A 291 27.696 29.165 50.830 1.00 21.92 C +ATOM 1660 C ARG A 291 26.314 29.341 51.454 1.00 21.26 C +ATOM 1661 O ARG A 291 26.073 30.311 52.175 1.00 21.99 O +ATOM 1662 CB ARG A 291 28.710 28.817 51.923 1.00 26.41 C +ATOM 1663 CG ARG A 291 28.128 28.036 53.085 1.00 32.75 C +ATOM 1664 CD ARG A 291 28.726 26.658 53.140 1.00 36.29 C +ATOM 1665 NE ARG A 291 28.681 26.006 51.838 1.00 43.10 N +ATOM 1666 CZ ARG A 291 29.751 25.765 51.089 1.00 46.74 C +ATOM 1667 NH1 ARG A 291 30.950 26.127 51.519 1.00 47.36 N +ATOM 1668 NH2 ARG A 291 29.622 25.156 49.916 1.00 46.40 N +ATOM 1669 N VAL A 292 25.402 28.419 51.161 1.00 17.53 N +ATOM 1670 CA VAL A 292 24.053 28.491 51.710 1.00 15.87 C +ATOM 1671 C VAL A 292 23.520 27.094 52.002 1.00 14.35 C +ATOM 1672 O VAL A 292 24.168 26.097 51.706 1.00 17.19 O +ATOM 1673 CB VAL A 292 23.064 29.187 50.726 1.00 16.52 C +ATOM 1674 CG1 VAL A 292 23.528 30.598 50.428 1.00 15.67 C +ATOM 1675 CG2 VAL A 292 22.944 28.384 49.437 1.00 16.36 C +ATOM 1676 N ALA A 293 22.340 27.041 52.601 1.00 14.14 N +ATOM 1677 CA ALA A 293 21.674 25.787 52.890 1.00 14.68 C +ATOM 1678 C ALA A 293 20.435 25.857 52.010 1.00 16.82 C +ATOM 1679 O ALA A 293 19.775 26.901 51.957 1.00 18.07 O +ATOM 1680 CB ALA A 293 21.271 25.712 54.358 1.00 15.31 C +ATOM 1681 N ILE A 294 20.125 24.765 51.314 1.00 15.45 N +ATOM 1682 CA ILE A 294 18.962 24.732 50.437 1.00 14.03 C +ATOM 1683 C ILE A 294 17.985 23.612 50.810 1.00 14.75 C +ATOM 1684 O ILE A 294 18.350 22.438 50.830 1.00 17.41 O +ATOM 1685 CB ILE A 294 19.385 24.545 48.944 1.00 17.19 C +ATOM 1686 CG1 ILE A 294 20.503 25.524 48.574 1.00 18.53 C +ATOM 1687 CG2 ILE A 294 18.190 24.782 48.027 1.00 18.73 C +ATOM 1688 CD1 ILE A 294 21.768 24.852 48.049 1.00 21.44 C +ATOM 1689 N LYS A 295 16.745 23.978 51.122 1.00 15.48 N +ATOM 1690 CA LYS A 295 15.725 22.985 51.443 1.00 16.19 C +ATOM 1691 C LYS A 295 14.791 22.856 50.250 1.00 19.91 C +ATOM 1692 O LYS A 295 14.311 23.856 49.705 1.00 20.30 O +ATOM 1693 CB LYS A 295 14.902 23.382 52.668 1.00 15.15 C +ATOM 1694 CG LYS A 295 13.709 22.459 52.887 1.00 15.91 C +ATOM 1695 CD LYS A 295 12.953 22.796 54.149 1.00 21.73 C +ATOM 1696 CE LYS A 295 13.587 22.117 55.351 1.00 22.73 C +ATOM 1697 NZ LYS A 295 12.591 21.917 56.440 1.00 27.17 N +ATOM 1698 N THR A 296 14.540 21.616 49.848 1.00 21.32 N +ATOM 1699 CA THR A 296 13.668 21.331 48.717 1.00 24.52 C +ATOM 1700 C THR A 296 12.353 20.705 49.204 1.00 26.45 C +ATOM 1701 O THR A 296 12.355 19.850 50.095 1.00 26.30 O +ATOM 1702 CB THR A 296 14.366 20.360 47.718 1.00 23.71 C +ATOM 1703 OG1 THR A 296 14.657 19.120 48.373 1.00 31.78 O +ATOM 1704 CG2 THR A 296 15.676 20.955 47.216 1.00 24.89 C +ATOM 1705 N LEU A 297 11.235 21.148 48.630 1.00 23.03 N +ATOM 1706 CA LEU A 297 9.926 20.622 48.985 1.00 25.01 C +ATOM 1707 C LEU A 297 9.369 19.797 47.828 1.00 28.35 C +ATOM 1708 O LEU A 297 9.305 20.264 46.692 1.00 27.69 O +ATOM 1709 CB LEU A 297 8.952 21.757 49.308 1.00 24.65 C +ATOM 1710 CG LEU A 297 9.161 22.513 50.617 1.00 27.35 C +ATOM 1711 CD1 LEU A 297 9.536 21.541 51.735 1.00 29.45 C +ATOM 1712 CD2 LEU A 297 10.260 23.541 50.416 1.00 32.47 C +ATOM 1713 N LYS A 298 8.967 18.567 48.124 1.00 29.88 N +ATOM 1714 CA LYS A 298 8.407 17.680 47.117 1.00 30.61 C +ATOM 1715 C LYS A 298 7.135 18.293 46.542 1.00 29.59 C +ATOM 1716 O LYS A 298 6.313 18.852 47.272 1.00 28.33 O +ATOM 1717 CB LYS A 298 8.093 16.320 47.744 1.00 38.03 C +ATOM 1718 CG LYS A 298 7.294 15.388 46.859 1.00 47.14 C +ATOM 1719 CD LYS A 298 8.049 14.086 46.611 1.00 55.88 C +ATOM 1720 CE LYS A 298 7.224 13.115 45.768 1.00 60.81 C +ATOM 1721 NZ LYS A 298 5.757 13.407 45.833 1.00 61.71 N +ATOM 1722 N PRO A 299 6.961 18.214 45.216 1.00 27.21 N +ATOM 1723 CA PRO A 299 5.752 18.786 44.616 1.00 25.89 C +ATOM 1724 C PRO A 299 4.489 18.257 45.290 1.00 24.11 C +ATOM 1725 O PRO A 299 4.425 17.093 45.666 1.00 25.93 O +ATOM 1726 CB PRO A 299 5.849 18.364 43.149 1.00 26.30 C +ATOM 1727 CG PRO A 299 7.310 18.177 42.912 1.00 26.48 C +ATOM 1728 CD PRO A 299 7.853 17.623 44.203 1.00 27.87 C +ATOM 1729 N GLY A 300 3.492 19.120 45.453 1.00 23.79 N +ATOM 1730 CA GLY A 300 2.251 18.703 46.084 1.00 24.24 C +ATOM 1731 C GLY A 300 2.192 18.963 47.578 1.00 24.19 C +ATOM 1732 O GLY A 300 1.138 18.806 48.190 1.00 25.99 O +ATOM 1733 N THR A 301 3.320 19.364 48.159 1.00 24.79 N +ATOM 1734 CA THR A 301 3.429 19.647 49.595 1.00 25.74 C +ATOM 1735 C THR A 301 2.586 20.840 50.038 1.00 26.51 C +ATOM 1736 O THR A 301 1.794 20.751 50.978 1.00 28.89 O +ATOM 1737 CB THR A 301 4.886 19.941 49.974 1.00 23.63 C +ATOM 1738 OG1 THR A 301 5.682 18.782 49.724 1.00 26.11 O +ATOM 1739 CG2 THR A 301 4.996 20.329 51.442 1.00 27.45 C +ATOM 1740 N MET A 302 2.783 21.963 49.358 1.00 26.12 N +ATOM 1741 CA MET A 302 2.066 23.187 49.657 1.00 27.30 C +ATOM 1742 C MET A 302 2.010 24.027 48.393 1.00 27.67 C +ATOM 1743 O MET A 302 2.895 23.942 47.549 1.00 29.65 O +ATOM 1744 CB MET A 302 2.787 23.967 50.757 1.00 26.24 C +ATOM 1745 CG MET A 302 4.273 24.152 50.523 1.00 24.37 C +ATOM 1746 SD MET A 302 5.068 25.101 51.846 1.00 30.62 S +ATOM 1747 CE MET A 302 4.845 23.973 53.234 1.00 26.73 C +ATOM 1748 N SER A 303 0.970 24.841 48.272 1.00 29.51 N +ATOM 1749 CA SER A 303 0.801 25.697 47.104 1.00 30.55 C +ATOM 1750 C SER A 303 1.808 26.842 47.070 1.00 30.66 C +ATOM 1751 O SER A 303 1.969 27.566 48.046 1.00 30.13 O +ATOM 1752 CB SER A 303 -0.621 26.268 47.079 1.00 31.05 C +ATOM 1753 OG SER A 303 -0.620 27.665 47.300 1.00 28.87 O +ATOM 1754 N PRO A 304 2.520 27.003 45.942 1.00 30.83 N +ATOM 1755 CA PRO A 304 3.516 28.066 45.768 1.00 30.70 C +ATOM 1756 C PRO A 304 2.980 29.478 46.067 1.00 30.91 C +ATOM 1757 O PRO A 304 3.700 30.327 46.601 1.00 28.83 O +ATOM 1758 CB PRO A 304 3.939 27.918 44.308 1.00 31.72 C +ATOM 1759 CG PRO A 304 3.686 26.499 43.989 1.00 28.37 C +ATOM 1760 CD PRO A 304 2.451 26.130 44.756 1.00 31.38 C +ATOM 1761 N GLU A 305 1.721 29.725 45.711 1.00 32.93 N +ATOM 1762 CA GLU A 305 1.096 31.027 45.937 1.00 35.31 C +ATOM 1763 C GLU A 305 1.016 31.331 47.432 1.00 34.58 C +ATOM 1764 O GLU A 305 1.467 32.383 47.882 1.00 35.95 O +ATOM 1765 CB GLU A 305 -0.304 31.058 45.314 1.00 38.37 C +ATOM 1766 CG GLU A 305 -0.908 29.674 45.057 1.00 51.60 C +ATOM 1767 CD GLU A 305 -0.353 28.985 43.806 1.00 53.92 C +ATOM 1768 OE1 GLU A 305 -0.013 29.684 42.825 1.00 56.26 O +ATOM 1769 OE2 GLU A 305 -0.261 27.736 43.808 1.00 52.89 O +ATOM 1770 N ALA A 306 0.443 30.407 48.199 1.00 32.26 N +ATOM 1771 CA ALA A 306 0.330 30.575 49.646 1.00 29.05 C +ATOM 1772 C ALA A 306 1.733 30.629 50.243 1.00 29.85 C +ATOM 1773 O ALA A 306 1.992 31.395 51.176 1.00 32.23 O +ATOM 1774 CB ALA A 306 -0.450 29.413 50.253 1.00 26.76 C +ATOM 1775 N PHE A 307 2.633 29.812 49.699 1.00 25.80 N +ATOM 1776 CA PHE A 307 4.008 29.771 50.171 1.00 24.61 C +ATOM 1777 C PHE A 307 4.652 31.149 49.989 1.00 25.41 C +ATOM 1778 O PHE A 307 5.313 31.659 50.896 1.00 22.90 O +ATOM 1779 CB PHE A 307 4.809 28.697 49.408 1.00 21.44 C +ATOM 1780 CG PHE A 307 6.308 28.809 49.583 1.00 23.56 C +ATOM 1781 CD1 PHE A 307 6.935 28.287 50.715 1.00 23.17 C +ATOM 1782 CD2 PHE A 307 7.090 29.468 48.635 1.00 20.61 C +ATOM 1783 CE1 PHE A 307 8.309 28.423 50.900 1.00 23.24 C +ATOM 1784 CE2 PHE A 307 8.466 29.610 48.812 1.00 20.63 C +ATOM 1785 CZ PHE A 307 9.077 29.087 49.947 1.00 24.11 C +ATOM 1786 N LEU A 308 4.453 31.755 48.821 1.00 26.28 N +ATOM 1787 CA LEU A 308 5.033 33.066 48.537 1.00 26.86 C +ATOM 1788 C LEU A 308 4.497 34.155 49.465 1.00 25.37 C +ATOM 1789 O LEU A 308 5.222 35.065 49.844 1.00 25.82 O +ATOM 1790 CB LEU A 308 4.763 33.462 47.086 1.00 29.30 C +ATOM 1791 CG LEU A 308 5.946 33.942 46.245 1.00 32.40 C +ATOM 1792 CD1 LEU A 308 5.402 34.783 45.108 1.00 30.07 C +ATOM 1793 CD2 LEU A 308 6.943 34.739 47.084 1.00 29.28 C +ATOM 1794 N GLN A 309 3.224 34.070 49.823 1.00 24.93 N +ATOM 1795 CA GLN A 309 2.646 35.057 50.716 1.00 26.92 C +ATOM 1796 C GLN A 309 3.270 34.927 52.096 1.00 25.69 C +ATOM 1797 O GLN A 309 3.609 35.923 52.728 1.00 24.44 O +ATOM 1798 CB GLN A 309 1.139 34.863 50.816 1.00 30.40 C +ATOM 1799 CG GLN A 309 0.412 36.096 51.290 1.00 38.60 C +ATOM 1800 CD GLN A 309 -1.084 35.981 51.112 1.00 45.77 C +ATOM 1801 OE1 GLN A 309 -1.679 34.949 51.425 1.00 51.02 O +ATOM 1802 NE2 GLN A 309 -1.703 37.042 50.605 1.00 50.04 N +ATOM 1803 N GLU A 310 3.421 33.691 52.561 1.00 26.42 N +ATOM 1804 CA GLU A 310 4.013 33.449 53.868 1.00 26.26 C +ATOM 1805 C GLU A 310 5.495 33.802 53.916 1.00 27.78 C +ATOM 1806 O GLU A 310 5.975 34.296 54.935 1.00 28.66 O +ATOM 1807 CB GLU A 310 3.832 31.994 54.282 1.00 25.97 C +ATOM 1808 CG GLU A 310 4.298 31.720 55.707 1.00 30.70 C +ATOM 1809 CD GLU A 310 3.510 32.504 56.754 1.00 31.97 C +ATOM 1810 OE1 GLU A 310 2.306 32.756 56.547 1.00 33.81 O +ATOM 1811 OE2 GLU A 310 4.095 32.871 57.793 1.00 34.15 O +ATOM 1812 N ALA A 311 6.221 33.548 52.822 1.00 27.46 N +ATOM 1813 CA ALA A 311 7.655 33.858 52.752 1.00 23.91 C +ATOM 1814 C ALA A 311 7.889 35.358 52.899 1.00 24.09 C +ATOM 1815 O ALA A 311 8.928 35.783 53.399 1.00 22.53 O +ATOM 1816 CB ALA A 311 8.249 33.355 51.428 1.00 24.45 C +ATOM 1817 N GLN A 312 6.914 36.152 52.460 1.00 27.80 N +ATOM 1818 CA GLN A 312 6.973 37.613 52.550 1.00 33.11 C +ATOM 1819 C GLN A 312 6.980 38.054 54.013 1.00 32.29 C +ATOM 1820 O GLN A 312 7.658 39.015 54.381 1.00 33.60 O +ATOM 1821 CB GLN A 312 5.759 38.243 51.860 1.00 38.74 C +ATOM 1822 CG GLN A 312 5.842 38.311 50.345 1.00 50.37 C +ATOM 1823 CD GLN A 312 7.262 38.475 49.844 1.00 57.30 C +ATOM 1824 OE1 GLN A 312 7.847 39.560 49.941 1.00 60.81 O +ATOM 1825 NE2 GLN A 312 7.829 37.396 49.305 1.00 61.10 N +ATOM 1826 N VAL A 313 6.203 37.353 54.835 1.00 31.04 N +ATOM 1827 CA VAL A 313 6.109 37.649 56.263 1.00 30.26 C +ATOM 1828 C VAL A 313 7.394 37.227 56.978 1.00 29.23 C +ATOM 1829 O VAL A 313 8.015 38.019 57.686 1.00 27.68 O +ATOM 1830 CB VAL A 313 4.912 36.906 56.901 1.00 30.43 C +ATOM 1831 CG1 VAL A 313 4.716 37.366 58.338 1.00 29.00 C +ATOM 1832 CG2 VAL A 313 3.651 37.157 56.082 1.00 30.80 C +ATOM 1833 N MET A 314 7.792 35.975 56.775 1.00 28.62 N +ATOM 1834 CA MET A 314 8.994 35.437 57.394 1.00 30.68 C +ATOM 1835 C MET A 314 10.225 36.253 57.013 1.00 32.83 C +ATOM 1836 O MET A 314 11.175 36.363 57.789 1.00 33.86 O +ATOM 1837 CB MET A 314 9.176 33.976 56.977 1.00 30.02 C +ATOM 1838 CG MET A 314 8.035 33.080 57.424 1.00 32.09 C +ATOM 1839 SD MET A 314 7.982 31.462 56.620 1.00 44.05 S +ATOM 1840 CE MET A 314 8.792 31.799 55.091 1.00 36.54 C +ATOM 1841 N LYS A 315 10.198 36.838 55.821 1.00 31.76 N +ATOM 1842 CA LYS A 315 11.309 37.647 55.331 1.00 31.58 C +ATOM 1843 C LYS A 315 11.577 38.865 56.220 1.00 29.52 C +ATOM 1844 O LYS A 315 12.711 39.319 56.338 1.00 27.45 O +ATOM 1845 CB LYS A 315 11.009 38.107 53.902 1.00 33.48 C +ATOM 1846 CG LYS A 315 12.215 38.556 53.111 1.00 37.86 C +ATOM 1847 CD LYS A 315 11.780 39.147 51.779 1.00 42.17 C +ATOM 1848 CE LYS A 315 12.726 40.250 51.331 1.00 46.80 C +ATOM 1849 NZ LYS A 315 12.016 41.304 50.553 1.00 53.53 N +ATOM 1850 N LYS A 316 10.529 39.387 56.847 1.00 29.92 N +ATOM 1851 CA LYS A 316 10.655 40.556 57.715 1.00 31.96 C +ATOM 1852 C LYS A 316 11.143 40.231 59.134 1.00 32.69 C +ATOM 1853 O LYS A 316 11.418 41.142 59.919 1.00 31.45 O +ATOM 1854 CB LYS A 316 9.311 41.294 57.789 1.00 36.97 C +ATOM 1855 CG LYS A 316 8.529 41.328 56.465 1.00 43.47 C +ATOM 1856 CD LYS A 316 7.344 42.304 56.512 1.00 49.03 C +ATOM 1857 CE LYS A 316 6.215 41.883 55.559 1.00 52.79 C +ATOM 1858 NZ LYS A 316 4.851 42.282 56.043 1.00 53.77 N +ATOM 1859 N LEU A 317 11.253 38.944 59.463 1.00 31.43 N +ATOM 1860 CA LEU A 317 11.719 38.530 60.789 1.00 31.50 C +ATOM 1861 C LEU A 317 13.245 38.469 60.871 1.00 30.88 C +ATOM 1862 O LEU A 317 13.862 37.606 60.256 1.00 35.65 O +ATOM 1863 CB LEU A 317 11.148 37.159 61.135 1.00 30.05 C +ATOM 1864 CG LEU A 317 9.641 37.155 61.355 1.00 31.62 C +ATOM 1865 CD1 LEU A 317 9.106 35.750 61.177 1.00 32.53 C +ATOM 1866 CD2 LEU A 317 9.331 37.691 62.743 1.00 31.85 C +ATOM 1867 N ARG A 318 13.857 39.376 61.627 1.00 27.93 N +ATOM 1868 CA ARG A 318 15.309 39.380 61.761 1.00 27.89 C +ATOM 1869 C ARG A 318 15.707 39.445 63.222 1.00 25.22 C +ATOM 1870 O ARG A 318 15.326 40.360 63.945 1.00 23.64 O +ATOM 1871 CB ARG A 318 15.935 40.560 61.012 1.00 32.26 C +ATOM 1872 CG ARG A 318 14.979 41.312 60.114 1.00 46.31 C +ATOM 1873 CD ARG A 318 14.471 42.580 60.799 1.00 56.49 C +ATOM 1874 NE ARG A 318 13.215 42.360 61.518 1.00 62.37 N +ATOM 1875 CZ ARG A 318 12.870 42.990 62.638 1.00 63.28 C +ATOM 1876 NH1 ARG A 318 13.686 43.886 63.179 1.00 64.33 N +ATOM 1877 NH2 ARG A 318 11.706 42.728 63.215 1.00 63.19 N +ATOM 1878 N HIS A 319 16.487 38.462 63.646 1.00 24.54 N +ATOM 1879 CA HIS A 319 16.940 38.378 65.026 1.00 22.29 C +ATOM 1880 C HIS A 319 18.134 37.437 65.042 1.00 21.92 C +ATOM 1881 O HIS A 319 18.176 36.468 64.287 1.00 20.46 O +ATOM 1882 CB HIS A 319 15.804 37.841 65.903 1.00 23.51 C +ATOM 1883 CG HIS A 319 16.083 37.911 67.373 1.00 22.63 C +ATOM 1884 ND1 HIS A 319 16.663 36.874 68.068 1.00 21.88 N +ATOM 1885 CD2 HIS A 319 15.852 38.891 68.279 1.00 25.90 C +ATOM 1886 CE1 HIS A 319 16.779 37.210 69.341 1.00 23.34 C +ATOM 1887 NE2 HIS A 319 16.295 38.428 69.496 1.00 22.29 N +ATOM 1888 N GLU A 320 19.104 37.729 65.903 1.00 25.85 N +ATOM 1889 CA GLU A 320 20.330 36.937 66.008 1.00 28.37 C +ATOM 1890 C GLU A 320 20.143 35.471 66.436 1.00 24.29 C +ATOM 1891 O GLU A 320 21.057 34.655 66.284 1.00 25.56 O +ATOM 1892 CB GLU A 320 21.324 37.674 66.935 1.00 36.35 C +ATOM 1893 CG GLU A 320 21.749 36.932 68.193 1.00 50.85 C +ATOM 1894 CD GLU A 320 23.197 36.449 68.139 1.00 58.81 C +ATOM 1895 OE1 GLU A 320 23.433 35.309 67.669 1.00 61.33 O +ATOM 1896 OE2 GLU A 320 24.094 37.208 68.575 1.00 61.37 O +ATOM 1897 N LYS A 321 18.964 35.134 66.953 1.00 22.83 N +ATOM 1898 CA LYS A 321 18.677 33.763 67.376 1.00 20.47 C +ATOM 1899 C LYS A 321 17.623 33.115 66.479 1.00 19.05 C +ATOM 1900 O LYS A 321 16.914 32.201 66.895 1.00 16.60 O +ATOM 1901 CB LYS A 321 18.217 33.735 68.838 1.00 18.53 C +ATOM 1902 CG LYS A 321 19.209 34.365 69.796 1.00 16.15 C +ATOM 1903 CD LYS A 321 20.542 33.636 69.789 1.00 17.31 C +ATOM 1904 CE LYS A 321 21.444 34.194 70.883 1.00 18.82 C +ATOM 1905 NZ LYS A 321 22.845 33.757 70.717 1.00 22.34 N +ATOM 1906 N LEU A 322 17.526 33.612 65.249 1.00 17.74 N +ATOM 1907 CA LEU A 322 16.605 33.093 64.241 1.00 18.80 C +ATOM 1908 C LEU A 322 17.416 32.867 62.956 1.00 19.37 C +ATOM 1909 O LEU A 322 18.163 33.747 62.542 1.00 18.57 O +ATOM 1910 CB LEU A 322 15.502 34.111 63.943 1.00 19.70 C +ATOM 1911 CG LEU A 322 14.204 34.144 64.751 1.00 24.48 C +ATOM 1912 CD1 LEU A 322 13.075 34.684 63.866 1.00 23.63 C +ATOM 1913 CD2 LEU A 322 13.862 32.762 65.261 1.00 30.15 C +ATOM 1914 N VAL A 323 17.292 31.694 62.341 1.00 20.32 N +ATOM 1915 CA VAL A 323 18.000 31.411 61.091 1.00 20.91 C +ATOM 1916 C VAL A 323 17.385 32.314 60.016 1.00 20.28 C +ATOM 1917 O VAL A 323 16.173 32.294 59.827 1.00 21.90 O +ATOM 1918 CB VAL A 323 17.806 29.951 60.664 1.00 20.00 C +ATOM 1919 CG1 VAL A 323 18.375 29.738 59.286 1.00 21.38 C +ATOM 1920 CG2 VAL A 323 18.483 29.024 61.666 1.00 24.15 C +ATOM 1921 N GLN A 324 18.205 33.100 59.315 1.00 21.03 N +ATOM 1922 CA GLN A 324 17.684 34.012 58.290 1.00 20.34 C +ATOM 1923 C GLN A 324 17.243 33.353 56.981 1.00 19.90 C +ATOM 1924 O GLN A 324 17.939 32.486 56.447 1.00 20.50 O +ATOM 1925 CB GLN A 324 18.713 35.100 57.947 1.00 24.50 C +ATOM 1926 CG GLN A 324 18.129 36.222 57.051 1.00 33.11 C +ATOM 1927 CD GLN A 324 19.180 37.068 56.311 1.00 37.37 C +ATOM 1928 OE1 GLN A 324 20.289 37.292 56.805 1.00 39.86 O +ATOM 1929 NE2 GLN A 324 18.819 37.549 55.122 1.00 35.91 N +ATOM 1930 N LEU A 325 16.078 33.770 56.482 1.00 18.58 N +ATOM 1931 CA LEU A 325 15.563 33.290 55.205 1.00 19.50 C +ATOM 1932 C LEU A 325 16.158 34.259 54.168 1.00 20.71 C +ATOM 1933 O LEU A 325 15.871 35.453 54.189 1.00 20.85 O +ATOM 1934 CB LEU A 325 14.035 33.358 55.176 1.00 20.35 C +ATOM 1935 CG LEU A 325 13.374 33.045 53.825 1.00 19.91 C +ATOM 1936 CD1 LEU A 325 13.681 31.619 53.420 1.00 17.04 C +ATOM 1937 CD2 LEU A 325 11.870 33.261 53.915 1.00 25.15 C +ATOM 1938 N TYR A 326 16.997 33.730 53.280 1.00 19.66 N +ATOM 1939 CA TYR A 326 17.685 34.507 52.247 1.00 19.50 C +ATOM 1940 C TYR A 326 16.928 34.727 50.939 1.00 21.40 C +ATOM 1941 O TYR A 326 16.842 35.848 50.436 1.00 21.21 O +ATOM 1942 CB TYR A 326 19.013 33.828 51.893 1.00 21.69 C +ATOM 1943 CG TYR A 326 20.154 34.133 52.830 1.00 29.44 C +ATOM 1944 CD1 TYR A 326 20.408 35.442 53.240 1.00 33.85 C +ATOM 1945 CD2 TYR A 326 21.000 33.119 53.288 1.00 31.56 C +ATOM 1946 CE1 TYR A 326 21.475 35.742 54.080 1.00 40.38 C +ATOM 1947 CE2 TYR A 326 22.076 33.407 54.135 1.00 36.85 C +ATOM 1948 CZ TYR A 326 22.305 34.725 54.522 1.00 40.78 C +ATOM 1949 OH TYR A 326 23.366 35.049 55.335 1.00 44.69 O +ATOM 1950 N ALA A 327 16.404 33.651 50.371 1.00 20.45 N +ATOM 1951 CA ALA A 327 15.720 33.750 49.091 1.00 20.24 C +ATOM 1952 C ALA A 327 14.872 32.523 48.849 1.00 18.63 C +ATOM 1953 O ALA A 327 14.951 31.549 49.589 1.00 17.21 O +ATOM 1954 CB ALA A 327 16.749 33.901 47.976 1.00 20.87 C +ATOM 1955 N VAL A 328 14.064 32.565 47.799 1.00 17.23 N +ATOM 1956 CA VAL A 328 13.197 31.443 47.489 1.00 17.06 C +ATOM 1957 C VAL A 328 13.019 31.247 45.990 1.00 19.69 C +ATOM 1958 O VAL A 328 13.303 32.150 45.203 1.00 16.74 O +ATOM 1959 CB VAL A 328 11.778 31.642 48.104 1.00 19.31 C +ATOM 1960 CG1 VAL A 328 11.871 31.834 49.615 1.00 19.71 C +ATOM 1961 CG2 VAL A 328 11.092 32.848 47.463 1.00 16.85 C +ATOM 1962 N VAL A 329 12.587 30.043 45.618 1.00 20.40 N +ATOM 1963 CA VAL A 329 12.250 29.686 44.234 1.00 22.71 C +ATOM 1964 C VAL A 329 10.819 29.196 44.462 1.00 23.29 C +ATOM 1965 O VAL A 329 10.609 28.052 44.878 1.00 22.05 O +ATOM 1966 CB VAL A 329 13.106 28.522 43.661 1.00 20.94 C +ATOM 1967 CG1 VAL A 329 12.555 28.109 42.295 1.00 19.83 C +ATOM 1968 CG2 VAL A 329 14.567 28.941 43.524 1.00 18.49 C +ATOM 1969 N SER A 330 9.853 30.088 44.219 1.00 25.87 N +ATOM 1970 CA SER A 330 8.424 29.841 44.444 1.00 30.64 C +ATOM 1971 C SER A 330 7.700 28.766 43.634 1.00 33.18 C +ATOM 1972 O SER A 330 6.614 28.340 44.020 1.00 36.14 O +ATOM 1973 CB SER A 330 7.638 31.156 44.299 1.00 29.86 C +ATOM 1974 OG SER A 330 8.240 32.214 45.023 1.00 36.07 O +ATOM 1975 N GLU A 331 8.264 28.327 42.517 1.00 32.47 N +ATOM 1976 CA GLU A 331 7.580 27.307 41.728 1.00 34.38 C +ATOM 1977 C GLU A 331 8.067 25.912 42.091 1.00 29.64 C +ATOM 1978 O GLU A 331 9.221 25.722 42.463 1.00 29.65 O +ATOM 1979 CB GLU A 331 7.779 27.564 40.231 1.00 40.96 C +ATOM 1980 CG GLU A 331 9.189 27.991 39.851 1.00 52.55 C +ATOM 1981 CD GLU A 331 9.667 27.333 38.569 1.00 60.06 C +ATOM 1982 OE1 GLU A 331 8.821 27.096 37.675 1.00 64.16 O +ATOM 1983 OE2 GLU A 331 10.884 27.052 38.458 1.00 60.71 O +ATOM 1984 N GLU A 332 7.174 24.939 41.980 1.00 27.20 N +ATOM 1985 CA GLU A 332 7.501 23.562 42.305 1.00 28.64 C +ATOM 1986 C GLU A 332 8.535 22.948 41.364 1.00 29.72 C +ATOM 1987 O GLU A 332 8.468 23.145 40.150 1.00 30.12 O +ATOM 1988 CB GLU A 332 6.232 22.728 42.285 1.00 25.45 C +ATOM 1989 CG GLU A 332 5.070 23.429 42.929 1.00 28.59 C +ATOM 1990 CD GLU A 332 4.049 22.463 43.448 1.00 35.03 C +ATOM 1991 OE1 GLU A 332 3.396 21.790 42.623 1.00 40.65 O +ATOM 1992 OE2 GLU A 332 3.899 22.368 44.681 1.00 39.59 O +ATOM 1993 N PRO A 333 9.529 22.220 41.920 1.00 30.06 N +ATOM 1994 CA PRO A 333 9.733 21.953 43.357 1.00 26.50 C +ATOM 1995 C PRO A 333 10.278 23.182 44.101 1.00 22.61 C +ATOM 1996 O PRO A 333 11.327 23.723 43.748 1.00 20.90 O +ATOM 1997 CB PRO A 333 10.725 20.783 43.379 1.00 29.20 C +ATOM 1998 CG PRO A 333 10.895 20.351 41.931 1.00 30.95 C +ATOM 1999 CD PRO A 333 10.551 21.550 41.101 1.00 28.02 C +ATOM 2000 N ILE A 334 9.557 23.608 45.131 1.00 20.60 N +ATOM 2001 CA ILE A 334 9.929 24.785 45.915 1.00 20.47 C +ATOM 2002 C ILE A 334 11.293 24.711 46.596 1.00 20.62 C +ATOM 2003 O ILE A 334 11.662 23.679 47.154 1.00 24.64 O +ATOM 2004 CB ILE A 334 8.853 25.079 47.000 1.00 18.27 C +ATOM 2005 CG1 ILE A 334 7.571 25.585 46.343 1.00 17.99 C +ATOM 2006 CG2 ILE A 334 9.370 26.118 47.983 1.00 18.59 C +ATOM 2007 CD1 ILE A 334 6.359 25.610 47.275 1.00 20.40 C +ATOM 2008 N TYR A 335 12.038 25.813 46.543 1.00 16.77 N +ATOM 2009 CA TYR A 335 13.353 25.907 47.176 1.00 19.95 C +ATOM 2010 C TYR A 335 13.295 26.949 48.305 1.00 21.08 C +ATOM 2011 O TYR A 335 12.669 28.001 48.153 1.00 20.95 O +ATOM 2012 CB TYR A 335 14.405 26.396 46.183 1.00 21.78 C +ATOM 2013 CG TYR A 335 15.126 25.360 45.355 1.00 23.52 C +ATOM 2014 CD1 TYR A 335 14.639 24.058 45.210 1.00 30.10 C +ATOM 2015 CD2 TYR A 335 16.263 25.718 44.643 1.00 26.90 C +ATOM 2016 CE1 TYR A 335 15.279 23.137 44.357 1.00 29.03 C +ATOM 2017 CE2 TYR A 335 16.904 24.816 43.797 1.00 30.84 C +ATOM 2018 CZ TYR A 335 16.409 23.533 43.654 1.00 28.84 C +ATOM 2019 OH TYR A 335 17.047 22.673 42.788 1.00 34.32 O +ATOM 2020 N ILE A 336 13.952 26.661 49.423 1.00 19.26 N +ATOM 2021 CA ILE A 336 14.020 27.599 50.544 1.00 18.35 C +ATOM 2022 C ILE A 336 15.501 27.764 50.900 1.00 16.16 C +ATOM 2023 O ILE A 336 16.134 26.843 51.405 1.00 17.88 O +ATOM 2024 CB ILE A 336 13.242 27.088 51.784 1.00 17.96 C +ATOM 2025 CG1 ILE A 336 11.765 26.955 51.453 1.00 18.26 C +ATOM 2026 CG2 ILE A 336 13.382 28.084 52.925 1.00 19.67 C +ATOM 2027 CD1 ILE A 336 11.037 26.012 52.359 1.00 22.42 C +ATOM 2028 N VAL A 337 16.047 28.945 50.625 1.00 15.80 N +ATOM 2029 CA VAL A 337 17.457 29.229 50.872 1.00 15.35 C +ATOM 2030 C VAL A 337 17.667 29.995 52.175 1.00 17.52 C +ATOM 2031 O VAL A 337 17.178 31.110 52.327 1.00 15.91 O +ATOM 2032 CB VAL A 337 18.049 30.035 49.684 1.00 15.91 C +ATOM 2033 CG1 VAL A 337 19.547 30.222 49.847 1.00 13.28 C +ATOM 2034 CG2 VAL A 337 17.741 29.307 48.385 1.00 14.04 C +ATOM 2035 N THR A 338 18.392 29.385 53.109 1.00 18.58 N +ATOM 2036 CA THR A 338 18.652 30.001 54.408 1.00 20.56 C +ATOM 2037 C THR A 338 20.137 29.937 54.710 1.00 21.74 C +ATOM 2038 O THR A 338 20.912 29.370 53.936 1.00 18.72 O +ATOM 2039 CB THR A 338 17.896 29.277 55.558 1.00 21.39 C +ATOM 2040 OG1 THR A 338 18.396 27.942 55.694 1.00 23.31 O +ATOM 2041 CG2 THR A 338 16.397 29.226 55.283 1.00 21.61 C +ATOM 2042 N GLU A 339 20.540 30.525 55.835 1.00 23.89 N +ATOM 2043 CA GLU A 339 21.947 30.510 56.222 1.00 22.35 C +ATOM 2044 C GLU A 339 22.337 29.092 56.660 1.00 21.37 C +ATOM 2045 O GLU A 339 21.568 28.402 57.328 1.00 23.11 O +ATOM 2046 CB GLU A 339 22.200 31.537 57.338 1.00 25.52 C +ATOM 2047 CG GLU A 339 22.023 31.031 58.757 1.00 27.90 C +ATOM 2048 CD GLU A 339 22.091 32.150 59.792 1.00 27.78 C +ATOM 2049 OE1 GLU A 339 21.136 32.956 59.863 1.00 28.90 O +ATOM 2050 OE2 GLU A 339 23.099 32.225 60.529 1.00 24.66 O +ATOM 2051 N TYR A 340 23.524 28.659 56.254 1.00 20.32 N +ATOM 2052 CA TYR A 340 24.024 27.325 56.576 1.00 22.78 C +ATOM 2053 C TYR A 340 24.677 27.241 57.963 1.00 23.15 C +ATOM 2054 O TYR A 340 25.624 27.973 58.261 1.00 22.37 O +ATOM 2055 CB TYR A 340 25.028 26.879 55.500 1.00 20.11 C +ATOM 2056 CG TYR A 340 25.748 25.580 55.812 1.00 23.25 C +ATOM 2057 CD1 TYR A 340 25.049 24.380 55.921 1.00 24.56 C +ATOM 2058 CD2 TYR A 340 27.125 25.558 56.022 1.00 25.32 C +ATOM 2059 CE1 TYR A 340 25.707 23.188 56.234 1.00 26.41 C +ATOM 2060 CE2 TYR A 340 27.788 24.373 56.336 1.00 25.81 C +ATOM 2061 CZ TYR A 340 27.071 23.197 56.440 1.00 24.81 C +ATOM 2062 OH TYR A 340 27.724 22.030 56.753 1.00 27.43 O +ATOM 2063 N MET A 341 24.157 26.347 58.802 1.00 23.62 N +ATOM 2064 CA MET A 341 24.678 26.137 60.152 1.00 21.29 C +ATOM 2065 C MET A 341 25.520 24.864 60.134 1.00 22.40 C +ATOM 2066 O MET A 341 24.993 23.746 60.169 1.00 22.37 O +ATOM 2067 CB MET A 341 23.524 25.992 61.140 1.00 21.11 C +ATOM 2068 CG MET A 341 22.480 27.092 61.030 1.00 20.48 C +ATOM 2069 SD MET A 341 23.088 28.648 61.702 1.00 29.73 S +ATOM 2070 CE MET A 341 23.371 28.225 63.443 1.00 29.37 C +ATOM 2071 N SER A 342 26.834 25.046 60.080 1.00 25.28 N +ATOM 2072 CA SER A 342 27.784 23.939 60.015 1.00 28.08 C +ATOM 2073 C SER A 342 27.699 22.876 61.116 1.00 27.69 C +ATOM 2074 O SER A 342 27.895 21.696 60.839 1.00 26.48 O +ATOM 2075 CB SER A 342 29.205 24.495 59.973 1.00 31.18 C +ATOM 2076 OG SER A 342 29.530 25.121 61.200 1.00 37.71 O +ATOM 2077 N LYS A 343 27.417 23.283 62.352 1.00 27.84 N +ATOM 2078 CA LYS A 343 27.342 22.335 63.466 1.00 27.52 C +ATOM 2079 C LYS A 343 26.098 21.448 63.482 1.00 26.19 C +ATOM 2080 O LYS A 343 25.977 20.575 64.336 1.00 27.99 O +ATOM 2081 CB LYS A 343 27.456 23.075 64.808 1.00 32.58 C +ATOM 2082 CG LYS A 343 28.870 23.138 65.387 1.00 37.72 C +ATOM 2083 CD LYS A 343 29.055 24.362 66.298 1.00 44.01 C +ATOM 2084 CE LYS A 343 29.591 23.977 67.687 1.00 48.63 C +ATOM 2085 NZ LYS A 343 29.327 25.009 68.751 1.00 46.23 N +ATOM 2086 N GLY A 344 25.174 21.671 62.550 1.00 22.84 N +ATOM 2087 CA GLY A 344 23.973 20.857 62.482 1.00 20.02 C +ATOM 2088 C GLY A 344 22.895 21.154 63.519 1.00 22.09 C +ATOM 2089 O GLY A 344 22.941 22.181 64.205 1.00 21.67 O +ATOM 2090 N SER A 345 21.930 20.240 63.634 1.00 20.42 N +ATOM 2091 CA SER A 345 20.812 20.374 64.574 1.00 24.01 C +ATOM 2092 C SER A 345 21.168 20.118 66.046 1.00 23.42 C +ATOM 2093 O SER A 345 22.143 19.422 66.358 1.00 20.11 O +ATOM 2094 CB SER A 345 19.667 19.439 64.162 1.00 23.64 C +ATOM 2095 OG SER A 345 19.867 18.122 64.648 1.00 28.85 O +ATOM 2096 N LEU A 346 20.365 20.686 66.945 1.00 22.90 N +ATOM 2097 CA LEU A 346 20.580 20.523 68.383 1.00 23.74 C +ATOM 2098 C LEU A 346 20.319 19.084 68.827 1.00 20.00 C +ATOM 2099 O LEU A 346 20.998 18.572 69.708 1.00 20.98 O +ATOM 2100 CB LEU A 346 19.670 21.473 69.166 1.00 24.20 C +ATOM 2101 CG LEU A 346 19.774 21.416 70.694 1.00 26.11 C +ATOM 2102 CD1 LEU A 346 21.113 21.981 71.142 1.00 20.76 C +ATOM 2103 CD2 LEU A 346 18.615 22.203 71.309 1.00 24.00 C +ATOM 2104 N LEU A 347 19.336 18.436 68.211 1.00 22.29 N +ATOM 2105 CA LEU A 347 19.012 17.058 68.551 1.00 23.19 C +ATOM 2106 C LEU A 347 20.234 16.155 68.387 1.00 26.59 C +ATOM 2107 O LEU A 347 20.633 15.464 69.324 1.00 26.70 O +ATOM 2108 CB LEU A 347 17.869 16.542 67.670 1.00 21.86 C +ATOM 2109 CG LEU A 347 17.356 15.129 67.986 1.00 20.81 C +ATOM 2110 CD1 LEU A 347 16.881 15.077 69.426 1.00 24.84 C +ATOM 2111 CD2 LEU A 347 16.232 14.753 67.055 1.00 18.91 C +ATOM 2112 N ASP A 348 20.831 16.170 67.196 1.00 27.27 N +ATOM 2113 CA ASP A 348 22.002 15.344 66.923 1.00 26.16 C +ATOM 2114 C ASP A 348 23.229 15.767 67.732 1.00 24.06 C +ATOM 2115 O ASP A 348 24.039 14.927 68.100 1.00 26.26 O +ATOM 2116 CB ASP A 348 22.316 15.356 65.424 1.00 30.75 C +ATOM 2117 CG ASP A 348 21.276 14.602 64.607 1.00 36.86 C +ATOM 2118 OD1 ASP A 348 20.590 13.719 65.172 1.00 41.27 O +ATOM 2119 OD2 ASP A 348 21.138 14.891 63.397 1.00 42.22 O +ATOM 2120 N PHE A 349 23.361 17.064 68.005 1.00 23.39 N +ATOM 2121 CA PHE A 349 24.474 17.596 68.797 1.00 23.42 C +ATOM 2122 C PHE A 349 24.311 17.129 70.244 1.00 24.78 C +ATOM 2123 O PHE A 349 25.286 16.985 70.977 1.00 24.08 O +ATOM 2124 CB PHE A 349 24.460 19.132 68.746 1.00 24.72 C +ATOM 2125 CG PHE A 349 25.596 19.793 69.498 1.00 30.43 C +ATOM 2126 CD1 PHE A 349 26.800 20.088 68.855 1.00 33.73 C +ATOM 2127 CD2 PHE A 349 25.457 20.145 70.840 1.00 31.65 C +ATOM 2128 CE1 PHE A 349 27.844 20.725 69.535 1.00 32.48 C +ATOM 2129 CE2 PHE A 349 26.499 20.785 71.532 1.00 31.70 C +ATOM 2130 CZ PHE A 349 27.690 21.073 70.877 1.00 32.66 C +ATOM 2131 N LEU A 350 23.062 16.904 70.642 1.00 27.72 N +ATOM 2132 CA LEU A 350 22.731 16.459 71.991 1.00 31.44 C +ATOM 2133 C LEU A 350 23.161 15.008 72.194 1.00 35.64 C +ATOM 2134 O LEU A 350 23.705 14.648 73.242 1.00 34.46 O +ATOM 2135 CB LEU A 350 21.222 16.592 72.227 1.00 28.02 C +ATOM 2136 CG LEU A 350 20.709 17.596 73.267 1.00 27.78 C +ATOM 2137 CD1 LEU A 350 21.809 18.559 73.680 1.00 22.15 C +ATOM 2138 CD2 LEU A 350 19.511 18.334 72.692 1.00 23.78 C +ATOM 2139 N LYS A 351 22.905 14.178 71.188 1.00 37.40 N +ATOM 2140 CA LYS A 351 23.283 12.778 71.249 1.00 40.69 C +ATOM 2141 C LYS A 351 24.651 12.572 70.605 1.00 45.87 C +ATOM 2142 O LYS A 351 25.009 13.253 69.646 1.00 47.99 O +ATOM 2143 CB LYS A 351 22.245 11.920 70.534 1.00 39.32 C +ATOM 2144 CG LYS A 351 21.486 12.636 69.446 1.00 38.51 C +ATOM 2145 CD LYS A 351 19.999 12.592 69.710 1.00 36.75 C +ATOM 2146 CE LYS A 351 19.424 11.260 69.305 1.00 36.70 C +ATOM 2147 NZ LYS A 351 19.484 11.076 67.833 1.00 41.70 N +ATOM 2148 N GLY A 352 25.423 11.633 71.137 1.00 51.78 N +ATOM 2149 CA GLY A 352 26.730 11.368 70.570 1.00 55.45 C +ATOM 2150 C GLY A 352 27.891 11.810 71.430 1.00 57.69 C +ATOM 2151 O GLY A 352 27.816 11.780 72.657 1.00 59.78 O +ATOM 2152 N GLU A 353 28.973 12.219 70.782 1.00 58.92 N +ATOM 2153 CA GLU A 353 30.162 12.655 71.496 1.00 61.45 C +ATOM 2154 C GLU A 353 30.209 14.167 71.689 1.00 60.33 C +ATOM 2155 O GLU A 353 30.765 14.649 72.678 1.00 60.64 O +ATOM 2156 CB GLU A 353 31.419 12.181 70.758 1.00 66.21 C +ATOM 2157 CG GLU A 353 31.858 13.083 69.611 1.00 73.52 C +ATOM 2158 CD GLU A 353 33.261 13.642 69.802 1.00 78.05 C +ATOM 2159 OE1 GLU A 353 34.167 12.876 70.202 1.00 79.14 O +ATOM 2160 OE2 GLU A 353 33.457 14.853 69.552 1.00 81.40 O +ATOM 2161 N THR A 354 29.633 14.912 70.747 1.00 57.54 N +ATOM 2162 CA THR A 354 29.616 16.370 70.829 1.00 52.92 C +ATOM 2163 C THR A 354 29.032 16.838 72.159 1.00 52.78 C +ATOM 2164 O THR A 354 29.453 17.854 72.712 1.00 52.79 O +ATOM 2165 CB THR A 354 28.792 16.989 69.685 1.00 50.21 C +ATOM 2166 OG1 THR A 354 27.670 16.151 69.385 1.00 46.42 O +ATOM 2167 CG2 THR A 354 29.648 17.134 68.447 1.00 50.34 C +ATOM 2168 N GLY A 355 28.065 16.083 72.668 1.00 53.34 N +ATOM 2169 CA GLY A 355 27.441 16.429 73.930 1.00 56.32 C +ATOM 2170 C GLY A 355 27.694 15.390 75.005 1.00 58.24 C +ATOM 2171 O GLY A 355 26.752 14.871 75.608 1.00 58.09 O +ATOM 2172 N LYS A 356 28.969 15.086 75.244 1.00 58.99 N +ATOM 2173 CA LYS A 356 29.355 14.103 76.256 1.00 59.18 C +ATOM 2174 C LYS A 356 29.656 14.788 77.587 1.00 57.45 C +ATOM 2175 O LYS A 356 29.157 14.373 78.635 1.00 59.56 O +ATOM 2176 CB LYS A 356 30.583 13.296 75.785 1.00 59.96 C +ATOM 2177 CG LYS A 356 31.838 13.435 76.662 1.00 58.74 C +ATOM 2178 CD LYS A 356 32.556 12.104 76.865 1.00 56.88 C +ATOM 2179 CE LYS A 356 32.185 11.455 78.195 1.00 58.87 C +ATOM 2180 NZ LYS A 356 31.663 12.432 79.195 1.00 54.57 N +ATOM 2181 N TYR A 357 30.477 15.835 77.539 1.00 53.56 N +ATOM 2182 CA TYR A 357 30.841 16.578 78.741 1.00 50.95 C +ATOM 2183 C TYR A 357 29.939 17.801 78.903 1.00 46.50 C +ATOM 2184 O TYR A 357 30.298 18.750 79.598 1.00 48.63 O +ATOM 2185 CB TYR A 357 32.305 17.046 78.669 1.00 54.09 C +ATOM 2186 CG TYR A 357 33.352 15.973 78.919 1.00 56.81 C +ATOM 2187 CD1 TYR A 357 33.100 14.890 79.768 1.00 57.48 C +ATOM 2188 CD2 TYR A 357 34.600 16.040 78.294 1.00 57.26 C +ATOM 2189 CE1 TYR A 357 34.066 13.897 79.983 1.00 56.52 C +ATOM 2190 CE2 TYR A 357 35.571 15.053 78.504 1.00 58.72 C +ATOM 2191 CZ TYR A 357 35.296 13.986 79.347 1.00 57.75 C +ATOM 2192 OH TYR A 357 36.245 13.006 79.534 1.00 54.64 O +ATOM 2193 N LEU A 358 28.775 17.785 78.260 1.00 41.23 N +ATOM 2194 CA LEU A 358 27.861 18.915 78.349 1.00 36.07 C +ATOM 2195 C LEU A 358 27.214 18.948 79.727 1.00 32.41 C +ATOM 2196 O LEU A 358 26.495 18.027 80.109 1.00 33.02 O +ATOM 2197 CB LEU A 358 26.791 18.824 77.258 1.00 36.68 C +ATOM 2198 CG LEU A 358 27.105 19.460 75.892 1.00 38.59 C +ATOM 2199 CD1 LEU A 358 25.918 19.248 74.952 1.00 37.29 C +ATOM 2200 CD2 LEU A 358 27.399 20.950 76.049 1.00 36.46 C +ATOM 2201 N ARG A 359 27.478 20.013 80.476 1.00 28.66 N +ATOM 2202 CA ARG A 359 26.928 20.143 81.815 1.00 28.22 C +ATOM 2203 C ARG A 359 25.735 21.100 81.861 1.00 26.83 C +ATOM 2204 O ARG A 359 25.477 21.838 80.902 1.00 22.63 O +ATOM 2205 CB ARG A 359 28.024 20.596 82.792 1.00 31.29 C +ATOM 2206 CG ARG A 359 29.401 19.926 82.583 1.00 33.16 C +ATOM 2207 CD ARG A 359 29.516 18.539 83.245 1.00 32.37 C +ATOM 2208 NE ARG A 359 30.765 17.851 82.895 1.00 32.91 N +ATOM 2209 CZ ARG A 359 30.933 16.526 82.897 1.00 35.21 C +ATOM 2210 NH1 ARG A 359 29.931 15.723 83.232 1.00 35.39 N +ATOM 2211 NH2 ARG A 359 32.106 15.997 82.560 1.00 34.13 N +ATOM 2212 N LEU A 360 25.010 21.061 82.981 1.00 25.14 N +ATOM 2213 CA LEU A 360 23.816 21.882 83.216 1.00 23.05 C +ATOM 2214 C LEU A 360 23.925 23.343 82.786 1.00 22.46 C +ATOM 2215 O LEU A 360 23.028 23.865 82.131 1.00 20.16 O +ATOM 2216 CB LEU A 360 23.427 21.840 84.701 1.00 21.04 C +ATOM 2217 CG LEU A 360 21.981 21.532 85.100 1.00 24.10 C +ATOM 2218 CD1 LEU A 360 21.655 22.239 86.399 1.00 21.56 C +ATOM 2219 CD2 LEU A 360 21.018 21.948 84.012 1.00 20.04 C +ATOM 2220 N PRO A 361 25.012 24.030 83.176 1.00 23.81 N +ATOM 2221 CA PRO A 361 25.158 25.434 82.789 1.00 23.60 C +ATOM 2222 C PRO A 361 25.115 25.642 81.268 1.00 22.00 C +ATOM 2223 O PRO A 361 24.569 26.631 80.788 1.00 19.75 O +ATOM 2224 CB PRO A 361 26.502 25.833 83.400 1.00 23.01 C +ATOM 2225 CG PRO A 361 26.716 24.857 84.495 1.00 23.43 C +ATOM 2226 CD PRO A 361 26.159 23.575 83.979 1.00 24.16 C +ATOM 2227 N GLN A 362 25.690 24.713 80.516 1.00 21.53 N +ATOM 2228 CA GLN A 362 25.684 24.830 79.061 1.00 22.94 C +ATOM 2229 C GLN A 362 24.289 24.629 78.492 1.00 20.45 C +ATOM 2230 O GLN A 362 23.826 25.409 77.658 1.00 17.17 O +ATOM 2231 CB GLN A 362 26.611 23.799 78.431 1.00 26.76 C +ATOM 2232 CG GLN A 362 28.052 24.209 78.409 1.00 33.81 C +ATOM 2233 CD GLN A 362 28.897 23.262 79.205 1.00 37.23 C +ATOM 2234 OE1 GLN A 362 29.186 23.507 80.375 1.00 43.86 O +ATOM 2235 NE2 GLN A 362 29.290 22.155 78.581 1.00 39.00 N +ATOM 2236 N LEU A 363 23.629 23.571 78.942 1.00 17.24 N +ATOM 2237 CA LEU A 363 22.298 23.257 78.461 1.00 17.38 C +ATOM 2238 C LEU A 363 21.288 24.349 78.772 1.00 17.60 C +ATOM 2239 O LEU A 363 20.392 24.617 77.961 1.00 15.34 O +ATOM 2240 CB LEU A 363 21.846 21.928 79.049 1.00 14.56 C +ATOM 2241 CG LEU A 363 22.862 20.821 78.789 1.00 19.15 C +ATOM 2242 CD1 LEU A 363 22.675 19.715 79.819 1.00 21.05 C +ATOM 2243 CD2 LEU A 363 22.679 20.271 77.373 1.00 14.57 C +ATOM 2244 N VAL A 364 21.432 24.982 79.938 1.00 14.89 N +ATOM 2245 CA VAL A 364 20.525 26.050 80.345 1.00 15.93 C +ATOM 2246 C VAL A 364 20.770 27.309 79.492 1.00 16.32 C +ATOM 2247 O VAL A 364 19.834 28.047 79.185 1.00 17.09 O +ATOM 2248 CB VAL A 364 20.687 26.389 81.854 1.00 16.17 C +ATOM 2249 CG1 VAL A 364 20.025 27.723 82.165 1.00 18.94 C +ATOM 2250 CG2 VAL A 364 20.056 25.298 82.704 1.00 15.07 C +ATOM 2251 N ASP A 365 22.022 27.552 79.111 1.00 17.42 N +ATOM 2252 CA ASP A 365 22.338 28.708 78.271 1.00 19.96 C +ATOM 2253 C ASP A 365 21.727 28.543 76.864 1.00 19.19 C +ATOM 2254 O ASP A 365 21.244 29.511 76.266 1.00 20.60 O +ATOM 2255 CB ASP A 365 23.850 28.882 78.150 1.00 22.82 C +ATOM 2256 CG ASP A 365 24.233 29.881 77.067 1.00 30.25 C +ATOM 2257 OD1 ASP A 365 24.013 31.097 77.272 1.00 30.65 O +ATOM 2258 OD2 ASP A 365 24.745 29.446 76.009 1.00 32.60 O +ATOM 2259 N MET A 366 21.770 27.317 76.342 1.00 19.63 N +ATOM 2260 CA MET A 366 21.203 27.002 75.029 1.00 18.73 C +ATOM 2261 C MET A 366 19.689 27.209 75.089 1.00 18.39 C +ATOM 2262 O MET A 366 19.087 27.723 74.152 1.00 16.73 O +ATOM 2263 CB MET A 366 21.515 25.549 74.646 1.00 22.97 C +ATOM 2264 CG MET A 366 22.861 25.356 73.940 1.00 25.82 C +ATOM 2265 SD MET A 366 23.654 23.722 74.152 1.00 34.38 S +ATOM 2266 CE MET A 366 22.299 22.648 74.442 1.00 31.88 C +ATOM 2267 N ALA A 367 19.077 26.803 76.201 1.00 16.04 N +ATOM 2268 CA ALA A 367 17.644 26.976 76.385 1.00 11.42 C +ATOM 2269 C ALA A 367 17.323 28.463 76.453 1.00 11.94 C +ATOM 2270 O ALA A 367 16.291 28.905 75.956 1.00 14.51 O +ATOM 2271 CB ALA A 367 17.184 26.280 77.663 1.00 14.39 C +ATOM 2272 N ALA A 368 18.215 29.236 77.067 1.00 15.38 N +ATOM 2273 CA ALA A 368 18.028 30.685 77.186 1.00 15.83 C +ATOM 2274 C ALA A 368 18.071 31.349 75.806 1.00 15.36 C +ATOM 2275 O ALA A 368 17.311 32.276 75.533 1.00 17.83 O +ATOM 2276 CB ALA A 368 19.107 31.276 78.077 1.00 15.88 C +ATOM 2277 N GLN A 369 18.976 30.881 74.952 1.00 16.41 N +ATOM 2278 CA GLN A 369 19.098 31.410 73.594 1.00 19.03 C +ATOM 2279 C GLN A 369 17.832 31.094 72.808 1.00 18.79 C +ATOM 2280 O GLN A 369 17.330 31.923 72.042 1.00 21.51 O +ATOM 2281 CB GLN A 369 20.274 30.767 72.877 1.00 18.14 C +ATOM 2282 CG GLN A 369 21.601 31.076 73.480 1.00 20.73 C +ATOM 2283 CD GLN A 369 22.708 30.571 72.619 1.00 23.15 C +ATOM 2284 OE1 GLN A 369 22.857 31.002 71.473 1.00 23.12 O +ATOM 2285 NE2 GLN A 369 23.493 29.642 73.146 1.00 19.30 N +ATOM 2286 N ILE A 370 17.323 29.881 72.985 1.00 18.15 N +ATOM 2287 CA ILE A 370 16.111 29.484 72.292 1.00 15.80 C +ATOM 2288 C ILE A 370 14.928 30.344 72.751 1.00 18.72 C +ATOM 2289 O ILE A 370 14.125 30.787 71.923 1.00 18.25 O +ATOM 2290 CB ILE A 370 15.809 27.983 72.510 1.00 10.79 C +ATOM 2291 CG1 ILE A 370 16.867 27.139 71.800 1.00 11.72 C +ATOM 2292 CG2 ILE A 370 14.426 27.644 71.969 1.00 12.20 C +ATOM 2293 CD1 ILE A 370 17.127 25.801 72.457 1.00 16.33 C +ATOM 2294 N ALA A 371 14.826 30.598 74.058 1.00 15.47 N +ATOM 2295 CA ALA A 371 13.741 31.419 74.591 1.00 14.63 C +ATOM 2296 C ALA A 371 13.867 32.863 74.080 1.00 15.10 C +ATOM 2297 O ALA A 371 12.868 33.558 73.901 1.00 16.54 O +ATOM 2298 CB ALA A 371 13.759 31.393 76.129 1.00 10.72 C +ATOM 2299 N SER A 372 15.101 33.301 73.842 1.00 16.30 N +ATOM 2300 CA SER A 372 15.380 34.642 73.338 1.00 14.70 C +ATOM 2301 C SER A 372 14.812 34.820 71.925 1.00 16.40 C +ATOM 2302 O SER A 372 14.200 35.844 71.618 1.00 14.69 O +ATOM 2303 CB SER A 372 16.889 34.870 73.321 1.00 14.87 C +ATOM 2304 OG SER A 372 17.188 36.191 72.929 1.00 23.07 O +ATOM 2305 N GLY A 373 15.035 33.824 71.067 1.00 17.62 N +ATOM 2306 CA GLY A 373 14.515 33.873 69.708 1.00 14.24 C +ATOM 2307 C GLY A 373 13.002 33.751 69.689 1.00 14.49 C +ATOM 2308 O GLY A 373 12.322 34.404 68.895 1.00 14.07 O +ATOM 2309 N MET A 374 12.457 32.914 70.569 1.00 14.16 N +ATOM 2310 CA MET A 374 11.011 32.736 70.649 1.00 12.83 C +ATOM 2311 C MET A 374 10.314 33.945 71.275 1.00 11.38 C +ATOM 2312 O MET A 374 9.129 34.180 71.034 1.00 14.37 O +ATOM 2313 CB MET A 374 10.674 31.470 71.445 1.00 15.37 C +ATOM 2314 CG MET A 374 10.864 30.174 70.649 1.00 18.10 C +ATOM 2315 SD MET A 374 10.012 30.171 69.033 1.00 20.49 S +ATOM 2316 CE MET A 374 8.284 30.351 69.543 1.00 14.24 C +ATOM 2317 N ALA A 375 11.046 34.705 72.083 1.00 13.50 N +ATOM 2318 CA ALA A 375 10.485 35.897 72.703 1.00 14.37 C +ATOM 2319 C ALA A 375 10.375 36.962 71.606 1.00 14.53 C +ATOM 2320 O ALA A 375 9.484 37.809 71.635 1.00 14.79 O +ATOM 2321 CB ALA A 375 11.390 36.382 73.830 1.00 16.01 C +ATOM 2322 N TYR A 376 11.300 36.921 70.646 1.00 16.89 N +ATOM 2323 CA TYR A 376 11.258 37.855 69.527 1.00 17.12 C +ATOM 2324 C TYR A 376 10.036 37.472 68.710 1.00 17.53 C +ATOM 2325 O TYR A 376 9.245 38.332 68.324 1.00 22.71 O +ATOM 2326 CB TYR A 376 12.519 37.750 68.657 1.00 19.83 C +ATOM 2327 CG TYR A 376 12.385 38.431 67.295 1.00 22.91 C +ATOM 2328 CD1 TYR A 376 12.468 39.818 67.175 1.00 22.59 C +ATOM 2329 CD2 TYR A 376 12.171 37.686 66.134 1.00 25.50 C +ATOM 2330 CE1 TYR A 376 12.344 40.446 65.935 1.00 23.37 C +ATOM 2331 CE2 TYR A 376 12.044 38.307 64.885 1.00 22.85 C +ATOM 2332 CZ TYR A 376 12.131 39.681 64.796 1.00 24.16 C +ATOM 2333 OH TYR A 376 11.998 40.296 63.569 1.00 25.87 O +ATOM 2334 N VAL A 377 9.878 36.170 68.461 1.00 20.00 N +ATOM 2335 CA VAL A 377 8.736 35.645 67.705 1.00 18.27 C +ATOM 2336 C VAL A 377 7.460 36.135 68.393 1.00 19.49 C +ATOM 2337 O VAL A 377 6.519 36.598 67.741 1.00 18.23 O +ATOM 2338 CB VAL A 377 8.786 34.078 67.649 1.00 15.87 C +ATOM 2339 CG1 VAL A 377 7.458 33.494 67.180 1.00 14.10 C +ATOM 2340 CG2 VAL A 377 9.906 33.643 66.729 1.00 13.78 C +ATOM 2341 N GLU A 378 7.457 36.053 69.722 1.00 17.75 N +ATOM 2342 CA GLU A 378 6.338 36.497 70.551 1.00 17.69 C +ATOM 2343 C GLU A 378 6.069 37.998 70.358 1.00 17.64 C +ATOM 2344 O GLU A 378 4.930 38.399 70.127 1.00 18.94 O +ATOM 2345 CB GLU A 378 6.669 36.211 72.017 1.00 17.21 C +ATOM 2346 CG GLU A 378 5.577 36.488 73.025 1.00 18.81 C +ATOM 2347 CD GLU A 378 5.985 36.001 74.417 1.00 23.15 C +ATOM 2348 OE1 GLU A 378 6.819 36.675 75.072 1.00 20.22 O +ATOM 2349 OE2 GLU A 378 5.482 34.937 74.845 1.00 21.76 O +ATOM 2350 N ARG A 379 7.122 38.813 70.456 1.00 20.91 N +ATOM 2351 CA ARG A 379 7.022 40.272 70.298 1.00 22.47 C +ATOM 2352 C ARG A 379 6.435 40.636 68.938 1.00 26.29 C +ATOM 2353 O ARG A 379 5.681 41.597 68.814 1.00 30.40 O +ATOM 2354 CB ARG A 379 8.402 40.922 70.399 1.00 21.16 C +ATOM 2355 CG ARG A 379 8.976 40.994 71.796 1.00 28.50 C +ATOM 2356 CD ARG A 379 10.083 42.046 71.896 1.00 27.71 C +ATOM 2357 NE ARG A 379 11.312 41.672 71.188 1.00 29.65 N +ATOM 2358 CZ ARG A 379 12.239 40.839 71.660 1.00 28.51 C +ATOM 2359 NH1 ARG A 379 12.080 40.271 72.849 1.00 25.59 N +ATOM 2360 NH2 ARG A 379 13.325 40.563 70.941 1.00 24.47 N +ATOM 2361 N MET A 380 6.795 39.855 67.923 1.00 26.94 N +ATOM 2362 CA MET A 380 6.339 40.081 66.556 1.00 27.55 C +ATOM 2363 C MET A 380 4.958 39.502 66.252 1.00 25.99 C +ATOM 2364 O MET A 380 4.490 39.572 65.123 1.00 24.92 O +ATOM 2365 CB MET A 380 7.366 39.500 65.576 1.00 30.22 C +ATOM 2366 CG MET A 380 8.728 40.190 65.630 1.00 32.91 C +ATOM 2367 SD MET A 380 8.646 41.948 65.159 1.00 33.42 S +ATOM 2368 CE MET A 380 8.463 41.796 63.373 1.00 31.14 C +ATOM 2369 N ASN A 381 4.313 38.917 67.253 1.00 24.46 N +ATOM 2370 CA ASN A 381 2.991 38.342 67.057 1.00 23.60 C +ATOM 2371 C ASN A 381 2.974 37.214 66.020 1.00 23.72 C +ATOM 2372 O ASN A 381 2.015 37.061 65.261 1.00 26.44 O +ATOM 2373 CB ASN A 381 2.013 39.442 66.647 1.00 28.70 C +ATOM 2374 CG ASN A 381 1.310 40.063 67.833 1.00 30.61 C +ATOM 2375 OD1 ASN A 381 1.906 40.825 68.596 1.00 32.95 O +ATOM 2376 ND2 ASN A 381 0.033 39.738 67.998 1.00 37.20 N +ATOM 2377 N TYR A 382 4.034 36.418 65.996 1.00 21.90 N +ATOM 2378 CA TYR A 382 4.138 35.296 65.066 1.00 22.80 C +ATOM 2379 C TYR A 382 3.968 33.966 65.832 1.00 22.80 C +ATOM 2380 O TYR A 382 3.886 33.954 67.063 1.00 22.44 O +ATOM 2381 CB TYR A 382 5.499 35.357 64.370 1.00 22.96 C +ATOM 2382 CG TYR A 382 5.587 34.566 63.087 1.00 29.19 C +ATOM 2383 CD1 TYR A 382 4.970 35.014 61.922 1.00 29.68 C +ATOM 2384 CD2 TYR A 382 6.300 33.368 63.037 1.00 30.25 C +ATOM 2385 CE1 TYR A 382 5.065 34.284 60.736 1.00 32.70 C +ATOM 2386 CE2 TYR A 382 6.400 32.633 61.864 1.00 29.72 C +ATOM 2387 CZ TYR A 382 5.785 33.092 60.720 1.00 32.50 C +ATOM 2388 OH TYR A 382 5.903 32.359 59.562 1.00 34.65 O +ATOM 2389 N VAL A 383 3.894 32.854 65.106 1.00 20.45 N +ATOM 2390 CA VAL A 383 3.734 31.540 65.729 1.00 19.59 C +ATOM 2391 C VAL A 383 4.651 30.574 64.998 1.00 22.92 C +ATOM 2392 O VAL A 383 4.657 30.551 63.767 1.00 22.69 O +ATOM 2393 CB VAL A 383 2.280 31.018 65.603 1.00 15.83 C +ATOM 2394 CG1 VAL A 383 2.158 29.652 66.246 1.00 16.78 C +ATOM 2395 CG2 VAL A 383 1.316 31.982 66.256 1.00 21.50 C +ATOM 2396 N HIS A 384 5.423 29.782 65.745 1.00 21.21 N +ATOM 2397 CA HIS A 384 6.340 28.811 65.140 1.00 21.53 C +ATOM 2398 C HIS A 384 5.614 27.597 64.543 1.00 23.83 C +ATOM 2399 O HIS A 384 5.762 27.313 63.352 1.00 22.51 O +ATOM 2400 CB HIS A 384 7.375 28.332 66.166 1.00 15.84 C +ATOM 2401 CG HIS A 384 8.565 27.669 65.550 1.00 13.37 C +ATOM 2402 ND1 HIS A 384 8.487 26.461 64.892 1.00 15.49 N +ATOM 2403 CD2 HIS A 384 9.860 28.056 65.466 1.00 14.22 C +ATOM 2404 CE1 HIS A 384 9.680 26.134 64.428 1.00 13.23 C +ATOM 2405 NE2 HIS A 384 10.530 27.084 64.763 1.00 13.52 N +ATOM 2406 N ARG A 385 4.855 26.879 65.376 1.00 23.99 N +ATOM 2407 CA ARG A 385 4.081 25.701 64.954 1.00 25.76 C +ATOM 2408 C ARG A 385 4.837 24.363 64.844 1.00 23.87 C +ATOM 2409 O ARG A 385 4.216 23.318 64.635 1.00 24.12 O +ATOM 2410 CB ARG A 385 3.377 25.983 63.619 1.00 28.49 C +ATOM 2411 CG ARG A 385 2.051 26.703 63.758 1.00 36.92 C +ATOM 2412 CD ARG A 385 0.953 26.042 62.924 1.00 45.94 C +ATOM 2413 NE ARG A 385 1.266 24.654 62.578 1.00 53.55 N +ATOM 2414 CZ ARG A 385 0.452 23.850 61.895 1.00 54.64 C +ATOM 2415 NH1 ARG A 385 -0.731 24.299 61.491 1.00 54.36 N +ATOM 2416 NH2 ARG A 385 0.814 22.598 61.618 1.00 47.86 N +ATOM 2417 N ASP A 386 6.162 24.388 64.979 1.00 21.39 N +ATOM 2418 CA ASP A 386 6.952 23.162 64.888 1.00 19.93 C +ATOM 2419 C ASP A 386 8.246 23.255 65.678 1.00 17.08 C +ATOM 2420 O ASP A 386 9.325 22.904 65.193 1.00 15.27 O +ATOM 2421 CB ASP A 386 7.270 22.850 63.428 1.00 27.67 C +ATOM 2422 CG ASP A 386 7.713 21.417 63.225 1.00 33.29 C +ATOM 2423 OD1 ASP A 386 7.355 20.552 64.056 1.00 34.71 O +ATOM 2424 OD2 ASP A 386 8.425 21.159 62.236 1.00 38.19 O +ATOM 2425 N LEU A 387 8.130 23.728 66.910 1.00 16.59 N +ATOM 2426 CA LEU A 387 9.280 23.886 67.787 1.00 18.01 C +ATOM 2427 C LEU A 387 9.680 22.563 68.469 1.00 16.21 C +ATOM 2428 O LEU A 387 8.859 21.929 69.137 1.00 14.50 O +ATOM 2429 CB LEU A 387 8.959 24.968 68.839 1.00 17.00 C +ATOM 2430 CG LEU A 387 10.036 25.453 69.815 1.00 17.74 C +ATOM 2431 CD1 LEU A 387 11.266 25.980 69.077 1.00 15.77 C +ATOM 2432 CD2 LEU A 387 9.434 26.542 70.685 1.00 13.44 C +ATOM 2433 N ARG A 388 10.932 22.154 68.253 1.00 14.38 N +ATOM 2434 CA ARG A 388 11.532 20.948 68.843 1.00 16.51 C +ATOM 2435 C ARG A 388 13.043 20.988 68.579 1.00 15.91 C +ATOM 2436 O ARG A 388 13.496 21.749 67.728 1.00 18.63 O +ATOM 2437 CB ARG A 388 10.899 19.668 68.279 1.00 17.24 C +ATOM 2438 CG ARG A 388 11.051 19.452 66.790 1.00 20.67 C +ATOM 2439 CD ARG A 388 10.191 18.282 66.345 1.00 24.35 C +ATOM 2440 NE ARG A 388 9.605 18.533 65.036 1.00 28.38 N +ATOM 2441 CZ ARG A 388 10.056 17.993 63.911 1.00 30.20 C +ATOM 2442 NH1 ARG A 388 11.095 17.173 63.941 1.00 32.98 N +ATOM 2443 NH2 ARG A 388 9.485 18.291 62.756 1.00 32.56 N +ATOM 2444 N ALA A 389 13.828 20.196 69.313 1.00 15.04 N +ATOM 2445 CA ALA A 389 15.288 20.214 69.155 1.00 14.65 C +ATOM 2446 C ALA A 389 15.776 19.988 67.725 1.00 15.88 C +ATOM 2447 O ALA A 389 16.838 20.484 67.341 1.00 16.73 O +ATOM 2448 CB ALA A 389 15.934 19.196 70.089 1.00 16.27 C +ATOM 2449 N ALA A 390 15.011 19.225 66.951 1.00 17.71 N +ATOM 2450 CA ALA A 390 15.353 18.952 65.559 1.00 18.49 C +ATOM 2451 C ALA A 390 15.309 20.272 64.768 1.00 19.86 C +ATOM 2452 O ALA A 390 16.005 20.428 63.760 1.00 22.19 O +ATOM 2453 CB ALA A 390 14.362 17.943 64.969 1.00 15.11 C +ATOM 2454 N ASN A 391 14.504 21.221 65.242 1.00 16.59 N +ATOM 2455 CA ASN A 391 14.369 22.505 64.583 1.00 14.51 C +ATOM 2456 C ASN A 391 15.155 23.656 65.199 1.00 16.85 C +ATOM 2457 O ASN A 391 14.839 24.830 64.975 1.00 17.68 O +ATOM 2458 CB ASN A 391 12.892 22.864 64.454 1.00 15.63 C +ATOM 2459 CG ASN A 391 12.252 22.197 63.251 1.00 16.87 C +ATOM 2460 OD1 ASN A 391 12.943 21.879 62.294 1.00 17.96 O +ATOM 2461 ND2 ASN A 391 10.942 21.971 63.298 1.00 16.62 N +ATOM 2462 N ILE A 392 16.179 23.314 65.977 1.00 14.17 N +ATOM 2463 CA ILE A 392 17.074 24.309 66.560 1.00 15.85 C +ATOM 2464 C ILE A 392 18.429 23.976 65.929 1.00 14.82 C +ATOM 2465 O ILE A 392 18.825 22.808 65.911 1.00 16.50 O +ATOM 2466 CB ILE A 392 17.189 24.193 68.122 1.00 15.84 C +ATOM 2467 CG1 ILE A 392 15.824 24.425 68.780 1.00 15.50 C +ATOM 2468 CG2 ILE A 392 18.209 25.208 68.651 1.00 13.24 C +ATOM 2469 CD1 ILE A 392 15.277 25.819 68.628 1.00 12.64 C +ATOM 2470 N LEU A 393 19.119 24.985 65.392 1.00 16.89 N +ATOM 2471 CA LEU A 393 20.423 24.775 64.764 1.00 19.49 C +ATOM 2472 C LEU A 393 21.574 25.341 65.594 1.00 20.32 C +ATOM 2473 O LEU A 393 21.428 26.361 66.275 1.00 21.13 O +ATOM 2474 CB LEU A 393 20.437 25.372 63.356 1.00 20.48 C +ATOM 2475 CG LEU A 393 19.433 24.735 62.389 1.00 21.53 C +ATOM 2476 CD1 LEU A 393 19.435 25.499 61.071 1.00 23.63 C +ATOM 2477 CD2 LEU A 393 19.770 23.264 62.169 1.00 22.64 C +ATOM 2478 N VAL A 394 22.720 24.669 65.514 1.00 22.52 N +ATOM 2479 CA VAL A 394 23.906 25.035 66.278 1.00 25.26 C +ATOM 2480 C VAL A 394 25.058 25.649 65.475 1.00 28.57 C +ATOM 2481 O VAL A 394 25.331 25.264 64.338 1.00 25.09 O +ATOM 2482 CB VAL A 394 24.446 23.791 67.044 1.00 23.05 C +ATOM 2483 CG1 VAL A 394 25.549 24.197 68.009 1.00 22.94 C +ATOM 2484 CG2 VAL A 394 23.313 23.117 67.788 1.00 18.20 C +ATOM 2485 N GLY A 395 25.733 26.607 66.100 1.00 34.74 N +ATOM 2486 CA GLY A 395 26.867 27.266 65.479 1.00 41.89 C +ATOM 2487 C GLY A 395 27.981 27.429 66.499 1.00 45.36 C +ATOM 2488 O GLY A 395 27.873 26.931 67.621 1.00 47.05 O +ATOM 2489 N GLU A 396 29.046 28.132 66.122 1.00 47.94 N +ATOM 2490 CA GLU A 396 30.186 28.350 67.014 1.00 49.94 C +ATOM 2491 C GLU A 396 29.801 29.083 68.303 1.00 48.96 C +ATOM 2492 O GLU A 396 28.835 29.847 68.327 1.00 48.24 O +ATOM 2493 CB GLU A 396 31.282 29.128 66.279 1.00 54.69 C +ATOM 2494 CG GLU A 396 32.436 28.258 65.777 1.00 62.28 C +ATOM 2495 CD GLU A 396 31.987 27.148 64.825 1.00 67.52 C +ATOM 2496 OE1 GLU A 396 31.816 27.418 63.616 1.00 69.06 O +ATOM 2497 OE2 GLU A 396 31.811 25.999 65.286 1.00 71.94 O +ATOM 2498 N ASN A 397 30.569 28.844 69.365 1.00 46.63 N +ATOM 2499 CA ASN A 397 30.326 29.453 70.676 1.00 45.40 C +ATOM 2500 C ASN A 397 29.001 28.944 71.269 1.00 43.72 C +ATOM 2501 O ASN A 397 28.317 29.662 72.012 1.00 42.60 O +ATOM 2502 CB ASN A 397 30.304 30.991 70.570 1.00 47.57 C +ATOM 2503 CG ASN A 397 31.675 31.627 70.820 1.00 46.36 C +ATOM 2504 OD1 ASN A 397 32.495 31.103 71.577 1.00 47.45 O +ATOM 2505 ND2 ASN A 397 31.921 32.767 70.182 1.00 43.85 N +ATOM 2506 N LEU A 398 28.662 27.696 70.935 1.00 41.97 N +ATOM 2507 CA LEU A 398 27.432 27.048 71.398 1.00 39.89 C +ATOM 2508 C LEU A 398 26.208 27.892 71.063 1.00 37.98 C +ATOM 2509 O LEU A 398 25.228 27.919 71.813 1.00 35.26 O +ATOM 2510 CB LEU A 398 27.498 26.791 72.909 1.00 42.23 C +ATOM 2511 CG LEU A 398 27.413 25.333 73.388 1.00 45.86 C +ATOM 2512 CD1 LEU A 398 28.106 24.397 72.399 1.00 43.25 C +ATOM 2513 CD2 LEU A 398 28.044 25.218 74.773 1.00 43.79 C +ATOM 2514 N VAL A 399 26.274 28.586 69.929 1.00 34.89 N +ATOM 2515 CA VAL A 399 25.179 29.431 69.484 1.00 30.64 C +ATOM 2516 C VAL A 399 24.046 28.563 68.932 1.00 26.03 C +ATOM 2517 O VAL A 399 24.280 27.621 68.171 1.00 23.50 O +ATOM 2518 CB VAL A 399 25.666 30.446 68.410 1.00 31.61 C +ATOM 2519 CG1 VAL A 399 24.524 30.857 67.490 1.00 33.37 C +ATOM 2520 CG2 VAL A 399 26.224 31.675 69.096 1.00 34.33 C +ATOM 2521 N CYS A 400 22.822 28.878 69.351 1.00 23.91 N +ATOM 2522 CA CYS A 400 21.633 28.150 68.921 1.00 23.42 C +ATOM 2523 C CYS A 400 20.692 29.103 68.196 1.00 21.48 C +ATOM 2524 O CYS A 400 20.543 30.261 68.593 1.00 22.32 O +ATOM 2525 CB CYS A 400 20.917 27.541 70.133 1.00 19.90 C +ATOM 2526 SG CYS A 400 21.829 26.205 70.900 1.00 25.31 S +ATOM 2527 N LYS A 401 20.061 28.617 67.132 1.00 18.03 N +ATOM 2528 CA LYS A 401 19.134 29.445 66.366 1.00 16.67 C +ATOM 2529 C LYS A 401 17.858 28.683 66.054 1.00 13.95 C +ATOM 2530 O LYS A 401 17.895 27.487 65.783 1.00 16.90 O +ATOM 2531 CB LYS A 401 19.783 29.917 65.065 1.00 14.54 C +ATOM 2532 CG LYS A 401 21.057 30.681 65.264 1.00 14.88 C +ATOM 2533 CD LYS A 401 21.342 31.575 64.080 1.00 17.44 C +ATOM 2534 CE LYS A 401 22.681 32.259 64.241 1.00 17.57 C +ATOM 2535 NZ LYS A 401 22.925 33.220 63.133 1.00 20.87 N +ATOM 2536 N VAL A 402 16.732 29.387 66.107 1.00 16.07 N +ATOM 2537 CA VAL A 402 15.427 28.798 65.844 1.00 15.86 C +ATOM 2538 C VAL A 402 15.203 28.753 64.334 1.00 20.49 C +ATOM 2539 O VAL A 402 15.326 29.777 63.651 1.00 16.38 O +ATOM 2540 CB VAL A 402 14.301 29.618 66.506 1.00 15.77 C +ATOM 2541 CG1 VAL A 402 12.970 28.950 66.277 1.00 14.68 C +ATOM 2542 CG2 VAL A 402 14.561 29.751 68.008 1.00 16.44 C +ATOM 2543 N ALA A 403 14.860 27.564 63.838 1.00 19.15 N +ATOM 2544 CA ALA A 403 14.646 27.328 62.415 1.00 20.60 C +ATOM 2545 C ALA A 403 13.259 26.808 62.076 1.00 21.85 C +ATOM 2546 O ALA A 403 12.458 26.513 62.960 1.00 22.25 O +ATOM 2547 CB ALA A 403 15.686 26.341 61.910 1.00 17.16 C +ATOM 2548 N ASP A 404 12.995 26.711 60.774 1.00 22.85 N +ATOM 2549 CA ASP A 404 11.739 26.205 60.218 1.00 23.41 C +ATOM 2550 C ASP A 404 10.426 26.729 60.786 1.00 23.07 C +ATOM 2551 O ASP A 404 9.453 25.987 60.884 1.00 25.61 O +ATOM 2552 CB ASP A 404 11.736 24.677 60.281 1.00 26.01 C +ATOM 2553 CG ASP A 404 12.725 24.062 59.318 1.00 33.10 C +ATOM 2554 OD1 ASP A 404 12.778 24.529 58.163 1.00 38.62 O +ATOM 2555 OD2 ASP A 404 13.451 23.123 59.706 1.00 35.26 O +ATOM 2556 N PHE A 405 10.386 28.007 61.137 1.00 25.10 N +ATOM 2557 CA PHE A 405 9.169 28.602 61.680 1.00 26.64 C +ATOM 2558 C PHE A 405 8.167 29.010 60.591 1.00 28.97 C +ATOM 2559 O PHE A 405 8.551 29.468 59.512 1.00 27.25 O +ATOM 2560 CB PHE A 405 9.522 29.832 62.528 1.00 26.07 C +ATOM 2561 CG PHE A 405 10.612 30.691 61.937 1.00 29.58 C +ATOM 2562 CD1 PHE A 405 10.311 31.660 60.977 1.00 31.64 C +ATOM 2563 CD2 PHE A 405 11.940 30.539 62.346 1.00 30.53 C +ATOM 2564 CE1 PHE A 405 11.318 32.470 60.430 1.00 32.19 C +ATOM 2565 CE2 PHE A 405 12.959 31.341 61.809 1.00 28.96 C +ATOM 2566 CZ PHE A 405 12.647 32.308 60.850 1.00 31.21 C +ATOM 2567 N GLY A 406 6.882 28.828 60.888 1.00 30.15 N +ATOM 2568 CA GLY A 406 5.825 29.208 59.964 1.00 31.49 C +ATOM 2569 C GLY A 406 5.405 28.205 58.902 1.00 34.63 C +ATOM 2570 O GLY A 406 4.217 28.065 58.618 1.00 37.13 O +ATOM 2571 N LEU A 407 6.372 27.510 58.318 1.00 34.83 N +ATOM 2572 CA LEU A 407 6.109 26.537 57.260 1.00 35.99 C +ATOM 2573 C LEU A 407 5.015 25.486 57.527 1.00 35.57 C +ATOM 2574 O LEU A 407 4.113 25.294 56.704 1.00 32.70 O +ATOM 2575 CB LEU A 407 7.414 25.817 56.903 1.00 40.03 C +ATOM 2576 CG LEU A 407 8.321 26.414 55.822 1.00 42.23 C +ATOM 2577 CD1 LEU A 407 9.169 25.295 55.239 1.00 44.76 C +ATOM 2578 CD2 LEU A 407 7.498 27.090 54.734 1.00 41.26 C +ATOM 2579 N ALA A 408 5.112 24.802 58.665 1.00 33.42 N +ATOM 2580 CA ALA A 408 4.168 23.751 59.042 1.00 30.73 C +ATOM 2581 C ALA A 408 2.715 24.062 58.722 1.00 29.35 C +ATOM 2582 O ALA A 408 1.940 23.164 58.387 1.00 28.70 O +ATOM 2583 CB ALA A 408 4.306 23.442 60.531 1.00 29.86 C +ATOM 2584 N ARG A 409 2.350 25.334 58.835 1.00 28.21 N +ATOM 2585 CA ARG A 409 0.985 25.760 58.581 1.00 26.46 C +ATOM 2586 C ARG A 409 0.571 25.597 57.118 1.00 28.07 C +ATOM 2587 O ARG A 409 -0.616 25.471 56.823 1.00 24.69 O +ATOM 2588 CB ARG A 409 0.810 27.213 59.019 1.00 28.34 C +ATOM 2589 CG ARG A 409 -0.534 27.814 58.657 1.00 30.08 C +ATOM 2590 CD ARG A 409 -0.617 29.277 59.070 1.00 31.38 C +ATOM 2591 NE ARG A 409 0.025 30.165 58.105 1.00 32.82 N +ATOM 2592 CZ ARG A 409 -0.500 30.499 56.929 1.00 32.85 C +ATOM 2593 NH1 ARG A 409 -1.682 30.019 56.564 1.00 32.56 N +ATOM 2594 NH2 ARG A 409 0.150 31.330 56.124 1.00 31.31 N +ATOM 2595 N LEU A 410 1.549 25.581 56.214 1.00 30.11 N +ATOM 2596 CA LEU A 410 1.276 25.443 54.777 1.00 33.19 C +ATOM 2597 C LEU A 410 1.109 23.991 54.291 1.00 34.31 C +ATOM 2598 O LEU A 410 0.551 23.760 53.216 1.00 32.94 O +ATOM 2599 CB LEU A 410 2.387 26.124 53.957 1.00 33.44 C +ATOM 2600 CG LEU A 410 2.491 27.655 53.967 1.00 35.44 C +ATOM 2601 CD1 LEU A 410 3.954 28.063 53.999 1.00 35.75 C +ATOM 2602 CD2 LEU A 410 1.818 28.233 52.736 1.00 38.12 C +ATOM 2603 N ILE A 411 1.591 23.023 55.070 1.00 32.88 N +ATOM 2604 CA ILE A 411 1.480 21.617 54.691 1.00 33.62 C +ATOM 2605 C ILE A 411 0.034 21.247 54.393 1.00 36.93 C +ATOM 2606 O ILE A 411 -0.838 21.355 55.257 1.00 35.92 O +ATOM 2607 CB ILE A 411 2.003 20.689 55.804 1.00 33.04 C +ATOM 2608 CG1 ILE A 411 3.513 20.876 55.972 1.00 30.48 C +ATOM 2609 CG2 ILE A 411 1.670 19.235 55.472 1.00 29.27 C +ATOM 2610 CD1 ILE A 411 4.329 20.407 54.791 1.00 33.04 C +ATOM 2611 N GLU A 412 -0.215 20.798 53.168 1.00 39.65 N +ATOM 2612 CA GLU A 412 -1.564 20.427 52.753 1.00 41.64 C +ATOM 2613 C GLU A 412 -1.923 18.962 53.029 1.00 41.35 C +ATOM 2614 O GLU A 412 -3.086 18.571 52.901 1.00 37.94 O +ATOM 2615 CB GLU A 412 -1.747 20.754 51.266 1.00 43.47 C +ATOM 2616 CG GLU A 412 -1.732 22.255 50.971 1.00 47.54 C +ATOM 2617 CD GLU A 412 -1.901 22.583 49.494 1.00 52.45 C +ATOM 2618 OE1 GLU A 412 -1.520 21.747 48.645 1.00 56.59 O +ATOM 2619 OE2 GLU A 412 -2.411 23.681 49.178 1.00 51.92 O +ATOM 2620 N ASP A 413 -0.929 18.162 53.418 1.00 44.24 N +ATOM 2621 CA ASP A 413 -1.141 16.745 53.728 1.00 47.22 C +ATOM 2622 C ASP A 413 -2.415 16.573 54.554 1.00 49.45 C +ATOM 2623 O ASP A 413 -2.589 17.216 55.590 1.00 48.63 O +ATOM 2624 CB ASP A 413 0.058 16.183 54.501 1.00 49.05 C +ATOM 2625 CG ASP A 413 0.023 14.668 54.618 1.00 51.85 C +ATOM 2626 OD1 ASP A 413 -0.617 14.154 55.561 1.00 51.22 O +ATOM 2627 OD2 ASP A 413 0.639 13.990 53.767 1.00 55.92 O +ATOM 2628 N ASN A 414 -3.296 15.692 54.087 1.00 51.74 N +ATOM 2629 CA ASN A 414 -4.579 15.438 54.743 1.00 53.19 C +ATOM 2630 C ASN A 414 -4.492 14.983 56.199 1.00 49.71 C +ATOM 2631 O ASN A 414 -5.234 15.482 57.050 1.00 48.24 O +ATOM 2632 CB ASN A 414 -5.389 14.422 53.928 1.00 57.58 C +ATOM 2633 CG ASN A 414 -5.827 14.974 52.579 1.00 62.54 C +ATOM 2634 OD1 ASN A 414 -5.073 14.931 51.603 1.00 66.28 O +ATOM 2635 ND2 ASN A 414 -7.047 15.503 52.521 1.00 64.08 N +ATOM 2636 N GLU A 415 -3.601 14.038 56.484 1.00 45.02 N +ATOM 2637 CA GLU A 415 -3.446 13.540 57.847 1.00 42.50 C +ATOM 2638 C GLU A 415 -2.768 14.583 58.717 1.00 40.32 C +ATOM 2639 O GLU A 415 -3.187 14.835 59.844 1.00 38.74 O +ATOM 2640 CB GLU A 415 -2.623 12.259 57.848 1.00 42.81 C +ATOM 2641 CG GLU A 415 -3.409 11.057 57.386 1.00 49.79 C +ATOM 2642 CD GLU A 415 -2.802 9.759 57.845 1.00 53.19 C +ATOM 2643 OE1 GLU A 415 -1.607 9.533 57.559 1.00 54.63 O +ATOM 2644 OE2 GLU A 415 -3.521 8.965 58.490 1.00 57.64 O +ATOM 2645 N TYR A 416 -1.717 15.189 58.178 1.00 36.28 N +ATOM 2646 CA TYR A 416 -0.973 16.204 58.893 1.00 32.67 C +ATOM 2647 C TYR A 416 -1.871 17.398 59.218 1.00 33.05 C +ATOM 2648 O TYR A 416 -1.771 17.988 60.294 1.00 31.08 O +ATOM 2649 CB TYR A 416 0.220 16.650 58.050 1.00 28.17 C +ATOM 2650 CG TYR A 416 1.174 17.546 58.795 1.00 28.65 C +ATOM 2651 CD1 TYR A 416 0.902 18.908 58.954 1.00 25.37 C +ATOM 2652 CD2 TYR A 416 2.342 17.035 59.355 1.00 22.74 C +ATOM 2653 CE1 TYR A 416 1.769 19.739 59.652 1.00 26.73 C +ATOM 2654 CE2 TYR A 416 3.214 17.856 60.054 1.00 24.65 C +ATOM 2655 CZ TYR A 416 2.923 19.209 60.201 1.00 25.07 C +ATOM 2656 OH TYR A 416 3.788 20.027 60.896 1.00 30.10 O +ATOM 2657 N THR A 417 -2.749 17.751 58.285 1.00 35.00 N +ATOM 2658 CA THR A 417 -3.656 18.878 58.483 1.00 38.63 C +ATOM 2659 C THR A 417 -4.633 18.598 59.625 1.00 38.52 C +ATOM 2660 O THR A 417 -5.130 19.522 60.276 1.00 39.31 O +ATOM 2661 CB THR A 417 -4.459 19.184 57.196 1.00 40.51 C +ATOM 2662 OG1 THR A 417 -3.553 19.481 56.127 1.00 41.77 O +ATOM 2663 CG2 THR A 417 -5.377 20.380 57.412 1.00 41.25 C +ATOM 2664 N ALA A 418 -4.900 17.317 59.862 1.00 37.62 N +ATOM 2665 CA ALA A 418 -5.807 16.904 60.925 1.00 38.43 C +ATOM 2666 C ALA A 418 -5.007 16.489 62.165 1.00 37.64 C +ATOM 2667 O ALA A 418 -5.475 15.699 62.990 1.00 37.77 O +ATOM 2668 CB ALA A 418 -6.683 15.745 60.437 1.00 36.70 C +ATOM 2669 N ARG A 419 -3.799 17.036 62.282 1.00 35.70 N +ATOM 2670 CA ARG A 419 -2.894 16.746 63.397 1.00 36.59 C +ATOM 2671 C ARG A 419 -2.717 15.246 63.629 1.00 37.06 C +ATOM 2672 O ARG A 419 -2.527 14.794 64.763 1.00 36.24 O +ATOM 2673 CB ARG A 419 -3.389 17.425 64.678 1.00 33.28 C +ATOM 2674 CG ARG A 419 -3.119 18.926 64.708 1.00 32.96 C +ATOM 2675 CD ARG A 419 -4.266 19.703 64.090 1.00 31.26 C +ATOM 2676 NE ARG A 419 -5.528 19.409 64.761 1.00 32.77 N +ATOM 2677 CZ ARG A 419 -6.727 19.578 64.213 1.00 35.13 C +ATOM 2678 NH1 ARG A 419 -6.831 20.045 62.975 1.00 33.17 N +ATOM 2679 NH2 ARG A 419 -7.822 19.274 64.903 1.00 27.88 N +ATOM 2680 N GLN A 420 -2.766 14.488 62.536 1.00 35.15 N +ATOM 2681 CA GLN A 420 -2.619 13.045 62.586 1.00 35.25 C +ATOM 2682 C GLN A 420 -1.572 12.577 61.590 1.00 36.50 C +ATOM 2683 O GLN A 420 -1.117 13.344 60.742 1.00 34.54 O +ATOM 2684 CB GLN A 420 -3.946 12.375 62.249 1.00 38.29 C +ATOM 2685 CG GLN A 420 -4.909 12.264 63.407 1.00 42.89 C +ATOM 2686 CD GLN A 420 -6.346 12.253 62.943 1.00 47.39 C +ATOM 2687 OE1 GLN A 420 -6.669 11.664 61.910 1.00 50.13 O +ATOM 2688 NE2 GLN A 420 -7.221 12.908 63.699 1.00 51.47 N +ATOM 2689 N GLY A 421 -1.191 11.310 61.708 1.00 36.74 N +ATOM 2690 CA GLY A 421 -0.223 10.743 60.792 1.00 38.18 C +ATOM 2691 C GLY A 421 1.191 10.615 61.303 1.00 38.71 C +ATOM 2692 O GLY A 421 1.624 11.343 62.198 1.00 40.79 O +ATOM 2693 N ALA A 422 1.921 9.681 60.706 1.00 36.89 N +ATOM 2694 CA ALA A 422 3.298 9.429 61.080 1.00 36.60 C +ATOM 2695 C ALA A 422 4.184 10.620 60.752 1.00 36.83 C +ATOM 2696 O ALA A 422 5.390 10.590 61.018 1.00 38.57 O +ATOM 2697 CB ALA A 422 3.805 8.196 60.359 1.00 39.50 C +ATOM 2698 N LYS A 423 3.597 11.665 60.173 1.00 35.37 N +ATOM 2699 CA LYS A 423 4.366 12.855 59.810 1.00 34.58 C +ATOM 2700 C LYS A 423 4.142 14.011 60.786 1.00 33.99 C +ATOM 2701 O LYS A 423 4.891 14.993 60.780 1.00 35.35 O +ATOM 2702 CB LYS A 423 4.017 13.293 58.377 1.00 32.43 C +ATOM 2703 N PHE A 424 3.117 13.889 61.626 1.00 28.04 N +ATOM 2704 CA PHE A 424 2.808 14.932 62.590 1.00 25.40 C +ATOM 2705 C PHE A 424 3.505 14.712 63.940 1.00 24.24 C +ATOM 2706 O PHE A 424 3.425 13.633 64.518 1.00 27.48 O +ATOM 2707 CB PHE A 424 1.293 15.029 62.783 1.00 24.32 C +ATOM 2708 CG PHE A 424 0.865 16.282 63.485 1.00 25.53 C +ATOM 2709 CD1 PHE A 424 0.811 17.497 62.801 1.00 20.06 C +ATOM 2710 CD2 PHE A 424 0.583 16.265 64.851 1.00 24.38 C +ATOM 2711 CE1 PHE A 424 0.489 18.678 63.467 1.00 20.57 C +ATOM 2712 CE2 PHE A 424 0.259 17.439 65.526 1.00 20.46 C +ATOM 2713 CZ PHE A 424 0.214 18.650 64.832 1.00 21.08 C +ATOM 2714 N PRO A 425 4.196 15.748 64.457 1.00 23.60 N +ATOM 2715 CA PRO A 425 4.924 15.713 65.735 1.00 23.33 C +ATOM 2716 C PRO A 425 4.026 15.878 66.963 1.00 21.29 C +ATOM 2717 O PRO A 425 4.163 16.838 67.727 1.00 21.14 O +ATOM 2718 CB PRO A 425 5.908 16.864 65.601 1.00 23.56 C +ATOM 2719 CG PRO A 425 5.152 17.867 64.785 1.00 21.66 C +ATOM 2720 CD PRO A 425 4.317 17.069 63.812 1.00 22.61 C +ATOM 2721 N ILE A 426 3.118 14.929 67.148 1.00 17.74 N +ATOM 2722 CA ILE A 426 2.182 14.955 68.262 1.00 19.41 C +ATOM 2723 C ILE A 426 2.833 15.053 69.652 1.00 19.10 C +ATOM 2724 O ILE A 426 2.250 15.618 70.579 1.00 18.34 O +ATOM 2725 CB ILE A 426 1.264 13.712 68.212 1.00 20.35 C +ATOM 2726 CG1 ILE A 426 0.029 13.926 69.099 1.00 23.12 C +ATOM 2727 CG2 ILE A 426 2.047 12.477 68.627 1.00 17.23 C +ATOM 2728 CD1 ILE A 426 -0.915 15.029 68.614 1.00 20.08 C +ATOM 2729 N LYS A 427 4.039 14.519 69.803 1.00 18.23 N +ATOM 2730 CA LYS A 427 4.711 14.555 71.101 1.00 17.56 C +ATOM 2731 C LYS A 427 5.138 15.950 71.558 1.00 17.03 C +ATOM 2732 O LYS A 427 5.451 16.151 72.732 1.00 15.98 O +ATOM 2733 CB LYS A 427 5.915 13.606 71.097 1.00 15.19 C +ATOM 2734 CG LYS A 427 5.486 12.159 71.055 1.00 16.69 C +ATOM 2735 CD LYS A 427 6.631 11.197 71.251 1.00 19.03 C +ATOM 2736 CE LYS A 427 6.092 9.772 71.203 1.00 20.20 C +ATOM 2737 NZ LYS A 427 6.918 8.848 72.018 1.00 22.25 N +ATOM 2738 N TRP A 428 5.157 16.909 70.633 1.00 16.73 N +ATOM 2739 CA TRP A 428 5.533 18.286 70.969 1.00 16.69 C +ATOM 2740 C TRP A 428 4.343 19.240 70.867 1.00 16.00 C +ATOM 2741 O TRP A 428 4.474 20.424 71.150 1.00 19.95 O +ATOM 2742 CB TRP A 428 6.633 18.795 70.033 1.00 12.39 C +ATOM 2743 CG TRP A 428 7.957 18.179 70.261 1.00 14.80 C +ATOM 2744 CD1 TRP A 428 9.009 18.718 70.947 1.00 12.51 C +ATOM 2745 CD2 TRP A 428 8.405 16.911 69.768 1.00 15.22 C +ATOM 2746 NE1 TRP A 428 10.087 17.866 70.909 1.00 14.35 N +ATOM 2747 CE2 TRP A 428 9.744 16.751 70.193 1.00 15.01 C +ATOM 2748 CE3 TRP A 428 7.805 15.898 69.007 1.00 12.62 C +ATOM 2749 CZ2 TRP A 428 10.495 15.609 69.882 1.00 15.55 C +ATOM 2750 CZ3 TRP A 428 8.555 14.764 68.699 1.00 13.31 C +ATOM 2751 CH2 TRP A 428 9.885 14.633 69.137 1.00 10.97 C +ATOM 2752 N THR A 429 3.186 18.713 70.481 1.00 14.85 N +ATOM 2753 CA THR A 429 1.978 19.510 70.295 1.00 14.57 C +ATOM 2754 C THR A 429 1.039 19.660 71.504 1.00 17.13 C +ATOM 2755 O THR A 429 0.636 18.675 72.114 1.00 17.93 O +ATOM 2756 CB THR A 429 1.158 18.941 69.109 1.00 17.38 C +ATOM 2757 OG1 THR A 429 1.997 18.867 67.946 1.00 20.07 O +ATOM 2758 CG2 THR A 429 -0.050 19.821 68.808 1.00 16.34 C +ATOM 2759 N ALA A 430 0.690 20.901 71.834 1.00 16.53 N +ATOM 2760 CA ALA A 430 -0.226 21.184 72.936 1.00 18.37 C +ATOM 2761 C ALA A 430 -1.588 20.553 72.612 1.00 20.08 C +ATOM 2762 O ALA A 430 -2.017 20.523 71.455 1.00 21.81 O +ATOM 2763 CB ALA A 430 -0.372 22.687 73.113 1.00 13.19 C +ATOM 2764 N PRO A 431 -2.292 20.045 73.634 1.00 18.97 N +ATOM 2765 CA PRO A 431 -3.596 19.427 73.365 1.00 19.31 C +ATOM 2766 C PRO A 431 -4.640 20.273 72.619 1.00 18.48 C +ATOM 2767 O PRO A 431 -5.366 19.746 71.778 1.00 20.71 O +ATOM 2768 CB PRO A 431 -4.085 18.966 74.749 1.00 18.67 C +ATOM 2769 CG PRO A 431 -3.221 19.687 75.742 1.00 19.41 C +ATOM 2770 CD PRO A 431 -1.927 20.008 75.062 1.00 20.44 C +ATOM 2771 N GLU A 432 -4.724 21.569 72.902 1.00 18.14 N +ATOM 2772 CA GLU A 432 -5.715 22.397 72.218 1.00 19.77 C +ATOM 2773 C GLU A 432 -5.366 22.604 70.735 1.00 22.14 C +ATOM 2774 O GLU A 432 -6.246 22.878 69.911 1.00 21.17 O +ATOM 2775 CB GLU A 432 -5.863 23.751 72.929 1.00 18.54 C +ATOM 2776 CG GLU A 432 -4.744 24.733 72.659 1.00 18.84 C +ATOM 2777 CD GLU A 432 -3.554 24.539 73.580 1.00 19.59 C +ATOM 2778 OE1 GLU A 432 -3.602 23.642 74.453 1.00 20.03 O +ATOM 2779 OE2 GLU A 432 -2.568 25.287 73.429 1.00 18.12 O +ATOM 2780 N ALA A 433 -4.085 22.465 70.403 1.00 21.58 N +ATOM 2781 CA ALA A 433 -3.629 22.618 69.024 1.00 20.03 C +ATOM 2782 C ALA A 433 -3.978 21.343 68.264 1.00 21.91 C +ATOM 2783 O ALA A 433 -4.473 21.392 67.141 1.00 25.14 O +ATOM 2784 CB ALA A 433 -2.133 22.855 68.990 1.00 15.71 C +ATOM 2785 N ALA A 434 -3.734 20.197 68.894 1.00 23.61 N +ATOM 2786 CA ALA A 434 -4.035 18.901 68.284 1.00 23.96 C +ATOM 2787 C ALA A 434 -5.542 18.643 68.177 1.00 24.07 C +ATOM 2788 O ALA A 434 -6.027 18.206 67.138 1.00 24.19 O +ATOM 2789 CB ALA A 434 -3.374 17.784 69.085 1.00 18.78 C +ATOM 2790 N LEU A 435 -6.278 18.914 69.251 1.00 23.13 N +ATOM 2791 CA LEU A 435 -7.719 18.700 69.269 1.00 25.39 C +ATOM 2792 C LEU A 435 -8.522 19.680 68.418 1.00 27.80 C +ATOM 2793 O LEU A 435 -9.361 19.271 67.616 1.00 29.54 O +ATOM 2794 CB LEU A 435 -8.249 18.786 70.697 1.00 25.58 C +ATOM 2795 CG LEU A 435 -7.829 17.691 71.666 1.00 27.12 C +ATOM 2796 CD1 LEU A 435 -8.173 18.138 73.073 1.00 25.62 C +ATOM 2797 CD2 LEU A 435 -8.524 16.384 71.311 1.00 23.85 C +ATOM 2798 N TYR A 436 -8.269 20.972 68.592 1.00 28.11 N +ATOM 2799 CA TYR A 436 -9.027 21.978 67.869 1.00 27.20 C +ATOM 2800 C TYR A 436 -8.242 22.814 66.894 1.00 27.27 C +ATOM 2801 O TYR A 436 -8.758 23.795 66.381 1.00 29.69 O +ATOM 2802 CB TYR A 436 -9.708 22.904 68.864 1.00 28.37 C +ATOM 2803 CG TYR A 436 -10.159 22.196 70.112 1.00 30.90 C +ATOM 2804 CD1 TYR A 436 -11.253 21.332 70.086 1.00 32.15 C +ATOM 2805 CD2 TYR A 436 -9.484 22.372 71.317 1.00 33.26 C +ATOM 2806 CE1 TYR A 436 -11.658 20.660 71.229 1.00 33.52 C +ATOM 2807 CE2 TYR A 436 -9.881 21.706 72.462 1.00 31.47 C +ATOM 2808 CZ TYR A 436 -10.964 20.853 72.415 1.00 35.16 C +ATOM 2809 OH TYR A 436 -11.345 20.186 73.556 1.00 38.63 O +ATOM 2810 N GLY A 437 -6.998 22.442 66.640 1.00 28.29 N +ATOM 2811 CA GLY A 437 -6.192 23.215 65.718 1.00 27.61 C +ATOM 2812 C GLY A 437 -5.910 24.634 66.192 1.00 28.95 C +ATOM 2813 O GLY A 437 -5.681 25.522 65.365 1.00 28.99 O +ATOM 2814 N ARG A 438 -5.927 24.866 67.506 1.00 25.31 N +ATOM 2815 CA ARG A 438 -5.648 26.203 68.034 1.00 24.29 C +ATOM 2816 C ARG A 438 -4.153 26.408 68.289 1.00 23.39 C +ATOM 2817 O ARG A 438 -3.667 26.248 69.413 1.00 21.56 O +ATOM 2818 CB ARG A 438 -6.434 26.442 69.318 1.00 25.02 C +ATOM 2819 CG ARG A 438 -7.904 26.733 69.076 1.00 27.72 C +ATOM 2820 CD ARG A 438 -8.712 26.493 70.328 1.00 28.39 C +ATOM 2821 NE ARG A 438 -7.999 26.971 71.505 1.00 33.66 N +ATOM 2822 CZ ARG A 438 -8.411 26.791 72.754 1.00 34.69 C +ATOM 2823 NH1 ARG A 438 -9.545 26.144 72.986 1.00 37.41 N +ATOM 2824 NH2 ARG A 438 -7.695 27.260 73.767 1.00 31.53 N +ATOM 2825 N PHE A 439 -3.432 26.749 67.223 1.00 21.89 N +ATOM 2826 CA PHE A 439 -1.995 26.993 67.288 1.00 20.87 C +ATOM 2827 C PHE A 439 -1.769 28.465 67.619 1.00 19.74 C +ATOM 2828 O PHE A 439 -2.211 29.342 66.887 1.00 19.58 O +ATOM 2829 CB PHE A 439 -1.329 26.647 65.946 1.00 19.61 C +ATOM 2830 CG PHE A 439 -1.353 25.169 65.602 1.00 22.99 C +ATOM 2831 CD1 PHE A 439 -2.439 24.607 64.930 1.00 22.21 C +ATOM 2832 CD2 PHE A 439 -0.273 24.345 65.920 1.00 23.64 C +ATOM 2833 CE1 PHE A 439 -2.447 23.245 64.578 1.00 18.79 C +ATOM 2834 CE2 PHE A 439 -0.274 22.980 65.571 1.00 20.05 C +ATOM 2835 CZ PHE A 439 -1.365 22.438 64.898 1.00 18.24 C +ATOM 2836 N THR A 440 -1.089 28.726 68.734 1.00 20.35 N +ATOM 2837 CA THR A 440 -0.797 30.087 69.198 1.00 17.74 C +ATOM 2838 C THR A 440 0.614 30.134 69.823 1.00 16.42 C +ATOM 2839 O THR A 440 1.306 29.120 69.877 1.00 14.19 O +ATOM 2840 CB THR A 440 -1.837 30.537 70.263 1.00 19.03 C +ATOM 2841 OG1 THR A 440 -1.679 29.750 71.447 1.00 22.69 O +ATOM 2842 CG2 THR A 440 -3.264 30.358 69.748 1.00 15.00 C +ATOM 2843 N ILE A 441 1.057 31.302 70.280 1.00 13.43 N +ATOM 2844 CA ILE A 441 2.378 31.383 70.894 1.00 13.05 C +ATOM 2845 C ILE A 441 2.374 30.541 72.189 1.00 15.40 C +ATOM 2846 O ILE A 441 3.429 30.117 72.682 1.00 16.23 O +ATOM 2847 CB ILE A 441 2.763 32.861 71.204 1.00 11.94 C +ATOM 2848 CG1 ILE A 441 4.264 32.979 71.486 1.00 10.84 C +ATOM 2849 CG2 ILE A 441 1.943 33.382 72.373 1.00 18.61 C +ATOM 2850 CD1 ILE A 441 5.163 32.647 70.267 1.00 14.36 C +ATOM 2851 N LYS A 442 1.175 30.289 72.713 1.00 14.93 N +ATOM 2852 CA LYS A 442 1.010 29.504 73.926 1.00 13.84 C +ATOM 2853 C LYS A 442 1.203 28.022 73.644 1.00 15.73 C +ATOM 2854 O LYS A 442 1.691 27.288 74.500 1.00 16.23 O +ATOM 2855 CB LYS A 442 -0.369 29.762 74.543 1.00 14.73 C +ATOM 2856 CG LYS A 442 -0.472 31.108 75.261 1.00 14.10 C +ATOM 2857 CD LYS A 442 0.788 31.395 76.069 1.00 16.35 C +ATOM 2858 CE LYS A 442 0.467 32.036 77.394 1.00 16.81 C +ATOM 2859 NZ LYS A 442 1.558 32.964 77.773 1.00 17.42 N +ATOM 2860 N SER A 443 0.815 27.562 72.457 1.00 14.99 N +ATOM 2861 CA SER A 443 1.052 26.159 72.145 1.00 13.76 C +ATOM 2862 C SER A 443 2.561 25.991 71.850 1.00 14.72 C +ATOM 2863 O SER A 443 3.116 24.901 72.009 1.00 15.07 O +ATOM 2864 CB SER A 443 0.183 25.680 70.971 1.00 15.99 C +ATOM 2865 OG SER A 443 0.233 26.552 69.862 1.00 19.49 O +ATOM 2866 N ASP A 444 3.229 27.071 71.446 1.00 13.92 N +ATOM 2867 CA ASP A 444 4.669 27.015 71.203 1.00 14.17 C +ATOM 2868 C ASP A 444 5.358 26.915 72.573 1.00 15.76 C +ATOM 2869 O ASP A 444 6.403 26.273 72.706 1.00 12.47 O +ATOM 2870 CB ASP A 444 5.172 28.280 70.496 1.00 16.70 C +ATOM 2871 CG ASP A 444 4.941 28.259 68.977 1.00 21.80 C +ATOM 2872 OD1 ASP A 444 4.689 27.182 68.388 1.00 18.16 O +ATOM 2873 OD2 ASP A 444 5.015 29.351 68.370 1.00 19.76 O +ATOM 2874 N VAL A 445 4.777 27.567 73.584 1.00 15.54 N +ATOM 2875 CA VAL A 445 5.341 27.524 74.934 1.00 12.81 C +ATOM 2876 C VAL A 445 5.274 26.073 75.418 1.00 10.57 C +ATOM 2877 O VAL A 445 6.219 25.578 76.020 1.00 10.70 O +ATOM 2878 CB VAL A 445 4.577 28.481 75.909 1.00 15.27 C +ATOM 2879 CG1 VAL A 445 4.878 28.119 77.361 1.00 14.19 C +ATOM 2880 CG2 VAL A 445 5.004 29.929 75.653 1.00 12.03 C +ATOM 2881 N TRP A 446 4.165 25.386 75.138 1.00 13.82 N +ATOM 2882 CA TRP A 446 4.038 23.975 75.509 1.00 11.61 C +ATOM 2883 C TRP A 446 5.177 23.207 74.810 1.00 14.61 C +ATOM 2884 O TRP A 446 5.872 22.419 75.448 1.00 14.52 O +ATOM 2885 CB TRP A 446 2.674 23.415 75.071 1.00 10.53 C +ATOM 2886 CG TRP A 446 2.507 21.904 75.281 1.00 14.47 C +ATOM 2887 CD1 TRP A 446 3.153 20.896 74.604 1.00 11.22 C +ATOM 2888 CD2 TRP A 446 1.643 21.252 76.230 1.00 15.58 C +ATOM 2889 NE1 TRP A 446 2.744 19.671 75.073 1.00 13.99 N +ATOM 2890 CE2 TRP A 446 1.819 19.857 76.068 1.00 14.87 C +ATOM 2891 CE3 TRP A 446 0.735 21.714 77.200 1.00 18.11 C +ATOM 2892 CZ2 TRP A 446 1.118 18.913 76.844 1.00 14.75 C +ATOM 2893 CZ3 TRP A 446 0.038 20.772 77.975 1.00 16.45 C +ATOM 2894 CH2 TRP A 446 0.236 19.389 77.788 1.00 13.87 C +ATOM 2895 N SER A 447 5.373 23.444 73.507 1.00 11.84 N +ATOM 2896 CA SER A 447 6.442 22.780 72.744 1.00 12.10 C +ATOM 2897 C SER A 447 7.820 23.022 73.353 1.00 11.32 C +ATOM 2898 O SER A 447 8.672 22.135 73.340 1.00 10.48 O +ATOM 2899 CB SER A 447 6.455 23.264 71.281 1.00 12.30 C +ATOM 2900 OG SER A 447 5.231 22.978 70.626 1.00 14.60 O +ATOM 2901 N PHE A 448 8.047 24.230 73.866 1.00 11.56 N +ATOM 2902 CA PHE A 448 9.337 24.581 74.485 1.00 12.88 C +ATOM 2903 C PHE A 448 9.589 23.728 75.738 1.00 10.16 C +ATOM 2904 O PHE A 448 10.733 23.359 76.021 1.00 12.70 O +ATOM 2905 CB PHE A 448 9.373 26.076 74.850 1.00 12.53 C +ATOM 2906 CG PHE A 448 10.681 26.532 75.460 1.00 15.43 C +ATOM 2907 CD1 PHE A 448 11.787 26.801 74.660 1.00 10.19 C +ATOM 2908 CD2 PHE A 448 10.796 26.711 76.840 1.00 12.77 C +ATOM 2909 CE1 PHE A 448 12.984 27.242 75.216 1.00 15.53 C +ATOM 2910 CE2 PHE A 448 11.989 27.154 77.411 1.00 11.79 C +ATOM 2911 CZ PHE A 448 13.087 27.420 76.599 1.00 15.34 C +ATOM 2912 N GLY A 449 8.513 23.426 76.471 1.00 11.48 N +ATOM 2913 CA GLY A 449 8.613 22.598 77.664 1.00 12.81 C +ATOM 2914 C GLY A 449 9.073 21.201 77.288 1.00 11.36 C +ATOM 2915 O GLY A 449 9.899 20.607 77.974 1.00 12.82 O +ATOM 2916 N ILE A 450 8.535 20.670 76.191 1.00 10.35 N +ATOM 2917 CA ILE A 450 8.930 19.347 75.717 1.00 11.48 C +ATOM 2918 C ILE A 450 10.400 19.397 75.284 1.00 10.34 C +ATOM 2919 O ILE A 450 11.182 18.497 75.611 1.00 12.87 O +ATOM 2920 CB ILE A 450 8.047 18.882 74.529 1.00 9.74 C +ATOM 2921 CG1 ILE A 450 6.569 18.902 74.922 1.00 8.98 C +ATOM 2922 CG2 ILE A 450 8.452 17.481 74.094 1.00 13.56 C +ATOM 2923 CD1 ILE A 450 6.193 17.855 75.976 1.00 12.00 C +ATOM 2924 N LEU A 451 10.775 20.459 74.566 1.00 13.87 N +ATOM 2925 CA LEU A 451 12.152 20.650 74.100 1.00 12.42 C +ATOM 2926 C LEU A 451 13.081 20.636 75.313 1.00 13.14 C +ATOM 2927 O LEU A 451 14.205 20.127 75.256 1.00 13.79 O +ATOM 2928 CB LEU A 451 12.294 21.992 73.349 1.00 13.67 C +ATOM 2929 CG LEU A 451 13.439 22.151 72.325 1.00 17.51 C +ATOM 2930 CD1 LEU A 451 13.256 23.423 71.498 1.00 19.44 C +ATOM 2931 CD2 LEU A 451 14.770 22.211 73.029 1.00 20.02 C +ATOM 2932 N LEU A 452 12.606 21.210 76.413 1.00 17.07 N +ATOM 2933 CA LEU A 452 13.381 21.243 77.648 1.00 17.48 C +ATOM 2934 C LEU A 452 13.735 19.822 78.115 1.00 13.55 C +ATOM 2935 O LEU A 452 14.815 19.604 78.678 1.00 14.86 O +ATOM 2936 CB LEU A 452 12.600 21.985 78.742 1.00 15.79 C +ATOM 2937 CG LEU A 452 12.630 23.512 78.732 1.00 14.74 C +ATOM 2938 CD1 LEU A 452 11.854 24.031 79.920 1.00 16.09 C +ATOM 2939 CD2 LEU A 452 14.058 24.011 78.784 1.00 15.46 C +ATOM 2940 N THR A 453 12.850 18.853 77.873 1.00 16.32 N +ATOM 2941 CA THR A 453 13.143 17.475 78.282 1.00 17.59 C +ATOM 2942 C THR A 453 14.215 16.838 77.388 1.00 18.95 C +ATOM 2943 O THR A 453 15.020 16.030 77.857 1.00 20.58 O +ATOM 2944 CB THR A 453 11.881 16.573 78.292 1.00 17.06 C +ATOM 2945 OG1 THR A 453 11.422 16.353 76.953 1.00 23.08 O +ATOM 2946 CG2 THR A 453 10.775 17.216 79.123 1.00 14.26 C +ATOM 2947 N GLU A 454 14.247 17.208 76.109 1.00 18.40 N +ATOM 2948 CA GLU A 454 15.262 16.660 75.201 1.00 15.27 C +ATOM 2949 C GLU A 454 16.629 17.194 75.608 1.00 15.00 C +ATOM 2950 O GLU A 454 17.637 16.496 75.500 1.00 17.21 O +ATOM 2951 CB GLU A 454 15.004 17.076 73.745 1.00 14.92 C +ATOM 2952 CG GLU A 454 13.654 16.723 73.169 1.00 18.34 C +ATOM 2953 CD GLU A 454 13.497 17.225 71.736 1.00 23.64 C +ATOM 2954 OE1 GLU A 454 13.873 16.486 70.801 1.00 26.82 O +ATOM 2955 OE2 GLU A 454 13.004 18.357 71.544 1.00 17.17 O +ATOM 2956 N LEU A 455 16.659 18.443 76.073 1.00 17.72 N +ATOM 2957 CA LEU A 455 17.909 19.081 76.481 1.00 17.87 C +ATOM 2958 C LEU A 455 18.499 18.485 77.754 1.00 18.04 C +ATOM 2959 O LEU A 455 19.707 18.542 77.956 1.00 18.31 O +ATOM 2960 CB LEU A 455 17.706 20.590 76.680 1.00 19.32 C +ATOM 2961 CG LEU A 455 17.872 21.546 75.491 1.00 19.96 C +ATOM 2962 CD1 LEU A 455 17.287 22.909 75.850 1.00 19.17 C +ATOM 2963 CD2 LEU A 455 19.341 21.684 75.138 1.00 18.02 C +ATOM 2964 N THR A 456 17.653 17.920 78.611 1.00 19.23 N +ATOM 2965 CA THR A 456 18.114 17.328 79.871 1.00 20.69 C +ATOM 2966 C THR A 456 18.199 15.794 79.833 1.00 24.64 C +ATOM 2967 O THR A 456 18.402 15.142 80.866 1.00 26.78 O +ATOM 2968 CB THR A 456 17.184 17.732 81.033 1.00 17.24 C +ATOM 2969 OG1 THR A 456 15.819 17.488 80.666 1.00 15.42 O +ATOM 2970 CG2 THR A 456 17.365 19.197 81.365 1.00 13.20 C +ATOM 2971 N THR A 457 18.040 15.226 78.639 1.00 26.41 N +ATOM 2972 CA THR A 457 18.080 13.780 78.455 1.00 22.29 C +ATOM 2973 C THR A 457 18.899 13.389 77.234 1.00 24.87 C +ATOM 2974 O THR A 457 18.659 12.342 76.631 1.00 23.83 O +ATOM 2975 CB THR A 457 16.673 13.219 78.277 1.00 22.40 C +ATOM 2976 OG1 THR A 457 16.076 13.808 77.116 1.00 24.98 O +ATOM 2977 CG2 THR A 457 15.817 13.528 79.502 1.00 20.99 C +ATOM 2978 N LYS A 458 19.856 14.240 76.870 1.00 25.21 N +ATOM 2979 CA LYS A 458 20.729 14.003 75.719 1.00 26.82 C +ATOM 2980 C LYS A 458 19.961 13.678 74.435 1.00 27.16 C +ATOM 2981 O LYS A 458 20.358 12.808 73.662 1.00 29.97 O +ATOM 2982 CB LYS A 458 21.725 12.881 76.042 1.00 27.60 C +ATOM 2983 CG LYS A 458 22.807 13.296 77.032 1.00 33.51 C +ATOM 2984 CD LYS A 458 23.628 12.110 77.525 1.00 40.65 C +ATOM 2985 CE LYS A 458 22.789 11.142 78.361 1.00 49.39 C +ATOM 2986 NZ LYS A 458 22.584 11.609 79.766 1.00 50.67 N +ATOM 2987 N GLY A 459 18.851 14.372 74.218 1.00 24.45 N +ATOM 2988 CA GLY A 459 18.079 14.146 73.013 1.00 24.82 C +ATOM 2989 C GLY A 459 17.135 12.967 73.029 1.00 25.34 C +ATOM 2990 O GLY A 459 16.634 12.567 71.979 1.00 26.33 O +ATOM 2991 N ARG A 460 16.881 12.406 74.206 1.00 27.77 N +ATOM 2992 CA ARG A 460 15.966 11.267 74.323 1.00 29.71 C +ATOM 2993 C ARG A 460 14.560 11.673 73.857 1.00 30.31 C +ATOM 2994 O ARG A 460 14.084 12.774 74.165 1.00 29.47 O +ATOM 2995 CB ARG A 460 15.914 10.786 75.777 1.00 32.49 C +ATOM 2996 CG ARG A 460 15.763 9.286 75.946 1.00 38.94 C +ATOM 2997 CD ARG A 460 16.320 8.819 77.295 1.00 40.45 C +ATOM 2998 NE ARG A 460 17.757 9.054 77.410 1.00 38.58 N +ATOM 2999 CZ ARG A 460 18.347 9.608 78.465 1.00 35.04 C +ATOM 3000 NH1 ARG A 460 17.626 9.992 79.513 1.00 34.35 N +ATOM 3001 NH2 ARG A 460 19.662 9.781 78.471 1.00 34.82 N +ATOM 3002 N VAL A 461 13.902 10.786 73.113 1.00 26.31 N +ATOM 3003 CA VAL A 461 12.560 11.054 72.602 1.00 26.40 C +ATOM 3004 C VAL A 461 11.544 11.187 73.729 1.00 25.26 C +ATOM 3005 O VAL A 461 11.565 10.409 74.686 1.00 25.61 O +ATOM 3006 CB VAL A 461 12.080 9.930 71.650 1.00 26.81 C +ATOM 3007 CG1 VAL A 461 10.745 10.304 71.024 1.00 27.36 C +ATOM 3008 CG2 VAL A 461 13.111 9.691 70.567 1.00 27.92 C +ATOM 3009 N PRO A 462 10.652 12.192 73.640 1.00 23.95 N +ATOM 3010 CA PRO A 462 9.612 12.434 74.651 1.00 21.93 C +ATOM 3011 C PRO A 462 8.707 11.207 74.855 1.00 25.44 C +ATOM 3012 O PRO A 462 8.570 10.376 73.944 1.00 23.89 O +ATOM 3013 CB PRO A 462 8.840 13.627 74.089 1.00 22.53 C +ATOM 3014 CG PRO A 462 9.794 14.292 73.174 1.00 22.22 C +ATOM 3015 CD PRO A 462 10.610 13.201 72.568 1.00 21.58 C +ATOM 3016 N TYR A 463 8.091 11.098 76.036 1.00 23.44 N +ATOM 3017 CA TYR A 463 7.205 9.971 76.356 1.00 24.06 C +ATOM 3018 C TYR A 463 7.812 8.656 75.842 1.00 27.54 C +ATOM 3019 O TYR A 463 7.195 7.951 75.042 1.00 27.87 O +ATOM 3020 CB TYR A 463 5.828 10.189 75.716 1.00 19.94 C +ATOM 3021 CG TYR A 463 5.228 11.553 75.992 1.00 21.47 C +ATOM 3022 CD1 TYR A 463 4.477 11.786 77.144 1.00 18.73 C +ATOM 3023 CD2 TYR A 463 5.419 12.614 75.104 1.00 15.17 C +ATOM 3024 CE1 TYR A 463 3.933 13.036 77.410 1.00 16.22 C +ATOM 3025 CE2 TYR A 463 4.879 13.869 75.362 1.00 16.35 C +ATOM 3026 CZ TYR A 463 4.137 14.071 76.517 1.00 15.98 C +ATOM 3027 OH TYR A 463 3.593 15.310 76.778 1.00 15.12 O +ATOM 3028 N PRO A 464 9.019 8.300 76.325 1.00 31.35 N +ATOM 3029 CA PRO A 464 9.771 7.094 75.950 1.00 33.14 C +ATOM 3030 C PRO A 464 8.989 5.812 75.659 1.00 36.17 C +ATOM 3031 O PRO A 464 9.212 5.172 74.628 1.00 40.58 O +ATOM 3032 CB PRO A 464 10.771 6.907 77.101 1.00 32.73 C +ATOM 3033 CG PRO A 464 10.481 8.000 78.091 1.00 33.51 C +ATOM 3034 CD PRO A 464 9.736 9.067 77.358 1.00 30.62 C +ATOM 3035 N GLY A 465 8.078 5.432 76.547 1.00 34.60 N +ATOM 3036 CA GLY A 465 7.331 4.209 76.318 1.00 34.29 C +ATOM 3037 C GLY A 465 5.997 4.323 75.599 1.00 37.19 C +ATOM 3038 O GLY A 465 5.300 3.321 75.437 1.00 39.60 O +ATOM 3039 N MET A 466 5.632 5.523 75.156 1.00 34.77 N +ATOM 3040 CA MET A 466 4.357 5.704 74.471 1.00 32.62 C +ATOM 3041 C MET A 466 4.498 5.790 72.966 1.00 32.07 C +ATOM 3042 O MET A 466 5.481 6.309 72.450 1.00 31.83 O +ATOM 3043 CB MET A 466 3.664 6.975 74.942 1.00 29.54 C +ATOM 3044 CG MET A 466 3.436 7.068 76.415 1.00 34.11 C +ATOM 3045 SD MET A 466 2.424 8.511 76.750 1.00 39.89 S +ATOM 3046 CE MET A 466 1.154 8.289 75.581 1.00 43.65 C +ATOM 3047 N VAL A 467 3.492 5.287 72.265 1.00 32.96 N +ATOM 3048 CA VAL A 467 3.481 5.335 70.815 1.00 33.28 C +ATOM 3049 C VAL A 467 2.634 6.556 70.446 1.00 31.21 C +ATOM 3050 O VAL A 467 1.684 6.903 71.152 1.00 27.14 O +ATOM 3051 CB VAL A 467 2.892 4.015 70.204 1.00 32.87 C +ATOM 3052 CG1 VAL A 467 1.414 3.890 70.515 1.00 31.84 C +ATOM 3053 CG2 VAL A 467 3.125 3.983 68.708 1.00 35.29 C +ATOM 3054 N ASN A 468 3.004 7.217 69.355 1.00 30.77 N +ATOM 3055 CA ASN A 468 2.310 8.412 68.898 1.00 29.79 C +ATOM 3056 C ASN A 468 0.791 8.389 69.051 1.00 30.68 C +ATOM 3057 O ASN A 468 0.200 9.343 69.563 1.00 27.14 O +ATOM 3058 CB ASN A 468 2.656 8.676 67.433 1.00 32.77 C +ATOM 3059 CG ASN A 468 3.924 9.485 67.268 1.00 37.06 C +ATOM 3060 OD1 ASN A 468 4.764 9.540 68.169 1.00 40.26 O +ATOM 3061 ND2 ASN A 468 4.071 10.121 66.110 1.00 38.64 N +ATOM 3062 N ARG A 469 0.168 7.300 68.604 1.00 32.53 N +ATOM 3063 CA ARG A 469 -1.284 7.157 68.644 1.00 34.16 C +ATOM 3064 C ARG A 469 -1.960 7.167 70.023 1.00 31.80 C +ATOM 3065 O ARG A 469 -3.186 7.228 70.103 1.00 29.36 O +ATOM 3066 CB ARG A 469 -1.708 5.897 67.869 1.00 40.19 C +ATOM 3067 CG ARG A 469 -0.983 4.611 68.266 1.00 50.52 C +ATOM 3068 CD ARG A 469 -1.954 3.435 68.455 1.00 59.14 C +ATOM 3069 NE ARG A 469 -1.253 2.170 68.702 1.00 67.64 N +ATOM 3070 CZ ARG A 469 -1.324 1.468 69.834 1.00 70.01 C +ATOM 3071 NH1 ARG A 469 -2.070 1.897 70.848 1.00 71.10 N +ATOM 3072 NH2 ARG A 469 -0.647 0.332 69.953 1.00 69.27 N +ATOM 3073 N GLU A 470 -1.182 7.118 71.101 1.00 32.04 N +ATOM 3074 CA GLU A 470 -1.769 7.127 72.443 1.00 32.98 C +ATOM 3075 C GLU A 470 -1.365 8.330 73.299 1.00 29.76 C +ATOM 3076 O GLU A 470 -1.866 8.492 74.413 1.00 30.02 O +ATOM 3077 CB GLU A 470 -1.415 5.831 73.190 1.00 36.32 C +ATOM 3078 CG GLU A 470 0.065 5.481 73.187 1.00 42.45 C +ATOM 3079 CD GLU A 470 0.393 4.247 74.020 1.00 45.29 C +ATOM 3080 OE1 GLU A 470 0.002 4.202 75.208 1.00 50.78 O +ATOM 3081 OE2 GLU A 470 1.049 3.323 73.490 1.00 41.69 O +ATOM 3082 N VAL A 471 -0.472 9.173 72.780 1.00 26.42 N +ATOM 3083 CA VAL A 471 -0.001 10.352 73.511 1.00 23.67 C +ATOM 3084 C VAL A 471 -1.073 11.395 73.847 1.00 24.11 C +ATOM 3085 O VAL A 471 -1.181 11.828 74.998 1.00 22.12 O +ATOM 3086 CB VAL A 471 1.157 11.066 72.741 1.00 21.40 C +ATOM 3087 CG1 VAL A 471 1.581 12.349 73.481 1.00 21.07 C +ATOM 3088 CG2 VAL A 471 2.355 10.130 72.608 1.00 20.55 C +ATOM 3089 N LEU A 472 -1.854 11.804 72.846 1.00 22.83 N +ATOM 3090 CA LEU A 472 -2.892 12.815 73.037 1.00 23.20 C +ATOM 3091 C LEU A 472 -3.934 12.438 74.094 1.00 25.16 C +ATOM 3092 O LEU A 472 -4.322 13.272 74.913 1.00 23.08 O +ATOM 3093 CB LEU A 472 -3.601 13.101 71.706 1.00 25.62 C +ATOM 3094 CG LEU A 472 -4.048 14.527 71.357 1.00 26.98 C +ATOM 3095 CD1 LEU A 472 -5.323 14.461 70.531 1.00 25.01 C +ATOM 3096 CD2 LEU A 472 -4.279 15.350 72.613 1.00 28.64 C +ATOM 3097 N ASP A 473 -4.400 11.193 74.071 1.00 26.97 N +ATOM 3098 CA ASP A 473 -5.392 10.755 75.045 1.00 28.90 C +ATOM 3099 C ASP A 473 -4.821 10.772 76.460 1.00 26.23 C +ATOM 3100 O ASP A 473 -5.502 11.165 77.402 1.00 26.27 O +ATOM 3101 CB ASP A 473 -5.901 9.356 74.715 1.00 34.09 C +ATOM 3102 CG ASP A 473 -7.024 8.921 75.640 1.00 42.26 C +ATOM 3103 OD1 ASP A 473 -8.135 9.485 75.533 1.00 39.46 O +ATOM 3104 OD2 ASP A 473 -6.790 8.023 76.479 1.00 49.80 O +ATOM 3105 N GLN A 474 -3.569 10.349 76.603 1.00 25.19 N +ATOM 3106 CA GLN A 474 -2.912 10.344 77.906 1.00 22.60 C +ATOM 3107 C GLN A 474 -2.730 11.766 78.454 1.00 24.16 C +ATOM 3108 O GLN A 474 -3.008 12.024 79.624 1.00 19.37 O +ATOM 3109 CB GLN A 474 -1.550 9.665 77.802 1.00 23.68 C +ATOM 3110 CG GLN A 474 -1.632 8.166 77.627 1.00 32.34 C +ATOM 3111 CD GLN A 474 -1.466 7.409 78.931 1.00 34.20 C +ATOM 3112 OE1 GLN A 474 -1.904 7.861 79.994 1.00 31.67 O +ATOM 3113 NE2 GLN A 474 -0.832 6.243 78.854 1.00 38.37 N +ATOM 3114 N VAL A 475 -2.261 12.687 77.611 1.00 22.53 N +ATOM 3115 CA VAL A 475 -2.046 14.058 78.052 1.00 21.30 C +ATOM 3116 C VAL A 475 -3.368 14.769 78.314 1.00 19.40 C +ATOM 3117 O VAL A 475 -3.438 15.656 79.150 1.00 21.76 O +ATOM 3118 CB VAL A 475 -1.221 14.878 77.017 1.00 21.06 C +ATOM 3119 CG1 VAL A 475 0.134 14.218 76.777 1.00 19.23 C +ATOM 3120 CG2 VAL A 475 -1.985 15.009 75.732 1.00 27.55 C +ATOM 3121 N GLU A 476 -4.418 14.382 77.602 1.00 21.64 N +ATOM 3122 CA GLU A 476 -5.724 15.000 77.795 1.00 25.55 C +ATOM 3123 C GLU A 476 -6.306 14.592 79.156 1.00 23.88 C +ATOM 3124 O GLU A 476 -7.080 15.323 79.763 1.00 20.88 O +ATOM 3125 CB GLU A 476 -6.673 14.586 76.660 1.00 29.96 C +ATOM 3126 CG GLU A 476 -7.948 13.886 77.106 1.00 44.70 C +ATOM 3127 CD GLU A 476 -8.410 12.818 76.117 1.00 53.46 C +ATOM 3128 OE1 GLU A 476 -8.614 13.156 74.924 1.00 56.12 O +ATOM 3129 OE2 GLU A 476 -8.569 11.645 76.537 1.00 52.40 O +ATOM 3130 N ARG A 477 -5.931 13.412 79.622 1.00 23.92 N +ATOM 3131 CA ARG A 477 -6.402 12.926 80.907 1.00 25.22 C +ATOM 3132 C ARG A 477 -5.503 13.448 82.031 1.00 23.70 C +ATOM 3133 O ARG A 477 -5.649 13.057 83.190 1.00 23.53 O +ATOM 3134 CB ARG A 477 -6.416 11.394 80.913 1.00 28.85 C +ATOM 3135 CG ARG A 477 -7.592 10.777 80.155 1.00 37.41 C +ATOM 3136 CD ARG A 477 -7.684 9.273 80.400 1.00 43.05 C +ATOM 3137 NE ARG A 477 -6.372 8.633 80.324 1.00 53.64 N +ATOM 3138 CZ ARG A 477 -5.542 8.500 81.355 1.00 57.63 C +ATOM 3139 NH1 ARG A 477 -5.889 8.964 82.549 1.00 60.71 N +ATOM 3140 NH2 ARG A 477 -4.365 7.905 81.196 1.00 59.47 N +ATOM 3141 N GLY A 478 -4.561 14.321 81.679 1.00 19.81 N +ATOM 3142 CA GLY A 478 -3.676 14.891 82.678 1.00 14.75 C +ATOM 3143 C GLY A 478 -2.273 14.333 82.817 1.00 14.76 C +ATOM 3144 O GLY A 478 -1.506 14.821 83.651 1.00 17.29 O +ATOM 3145 N TYR A 479 -1.909 13.323 82.038 1.00 14.01 N +ATOM 3146 CA TYR A 479 -0.560 12.788 82.150 1.00 16.53 C +ATOM 3147 C TYR A 479 0.483 13.796 81.679 1.00 17.90 C +ATOM 3148 O TYR A 479 0.260 14.536 80.720 1.00 16.60 O +ATOM 3149 CB TYR A 479 -0.402 11.504 81.338 1.00 20.33 C +ATOM 3150 CG TYR A 479 0.991 10.920 81.430 1.00 21.58 C +ATOM 3151 CD1 TYR A 479 1.357 10.104 82.503 1.00 23.73 C +ATOM 3152 CD2 TYR A 479 1.956 11.198 80.456 1.00 22.31 C +ATOM 3153 CE1 TYR A 479 2.655 9.580 82.606 1.00 23.04 C +ATOM 3154 CE2 TYR A 479 3.254 10.680 80.549 1.00 19.62 C +ATOM 3155 CZ TYR A 479 3.592 9.875 81.626 1.00 22.63 C +ATOM 3156 OH TYR A 479 4.864 9.372 81.734 1.00 25.07 O +ATOM 3157 N ARG A 480 1.613 13.822 82.373 1.00 15.63 N +ATOM 3158 CA ARG A 480 2.723 14.705 82.037 1.00 18.04 C +ATOM 3159 C ARG A 480 3.971 13.916 82.343 1.00 21.24 C +ATOM 3160 O ARG A 480 3.978 13.119 83.286 1.00 22.15 O +ATOM 3161 CB ARG A 480 2.732 15.972 82.903 1.00 16.28 C +ATOM 3162 CG ARG A 480 1.519 16.863 82.762 1.00 12.97 C +ATOM 3163 CD ARG A 480 1.425 17.441 81.359 1.00 17.34 C +ATOM 3164 NE ARG A 480 0.341 18.412 81.235 1.00 17.05 N +ATOM 3165 CZ ARG A 480 -0.909 18.119 80.886 1.00 15.20 C +ATOM 3166 NH1 ARG A 480 -1.261 16.871 80.629 1.00 14.16 N +ATOM 3167 NH2 ARG A 480 -1.812 19.088 80.804 1.00 13.92 N +ATOM 3168 N MET A 481 5.022 14.132 81.556 1.00 18.74 N +ATOM 3169 CA MET A 481 6.279 13.437 81.773 1.00 19.91 C +ATOM 3170 C MET A 481 6.811 13.785 83.166 1.00 19.85 C +ATOM 3171 O MET A 481 6.634 14.907 83.642 1.00 17.36 O +ATOM 3172 CB MET A 481 7.312 13.872 80.729 1.00 17.81 C +ATOM 3173 CG MET A 481 7.286 13.094 79.423 1.00 21.71 C +ATOM 3174 SD MET A 481 8.597 13.621 78.287 1.00 19.51 S +ATOM 3175 CE MET A 481 7.967 15.213 77.719 1.00 14.10 C +ATOM 3176 N PRO A 482 7.442 12.812 83.850 1.00 22.30 N +ATOM 3177 CA PRO A 482 7.994 13.066 85.185 1.00 20.11 C +ATOM 3178 C PRO A 482 9.358 13.745 85.042 1.00 21.20 C +ATOM 3179 O PRO A 482 9.903 13.848 83.934 1.00 21.04 O +ATOM 3180 CB PRO A 482 8.128 11.672 85.782 1.00 21.28 C +ATOM 3181 CG PRO A 482 8.426 10.808 84.593 1.00 20.67 C +ATOM 3182 CD PRO A 482 7.653 11.409 83.437 1.00 22.47 C +ATOM 3183 N CYS A 483 9.907 14.207 86.158 1.00 18.08 N +ATOM 3184 CA CYS A 483 11.205 14.852 86.150 1.00 17.13 C +ATOM 3185 C CYS A 483 12.235 13.899 85.557 1.00 21.06 C +ATOM 3186 O CYS A 483 12.340 12.748 85.970 1.00 25.02 O +ATOM 3187 CB CYS A 483 11.605 15.220 87.577 1.00 19.59 C +ATOM 3188 SG CYS A 483 13.107 16.170 87.698 1.00 20.58 S +ATOM 3189 N PRO A 484 13.005 14.356 84.559 1.00 23.85 N +ATOM 3190 CA PRO A 484 14.002 13.446 83.984 1.00 22.49 C +ATOM 3191 C PRO A 484 15.100 13.078 84.972 1.00 23.10 C +ATOM 3192 O PRO A 484 15.396 13.834 85.897 1.00 22.57 O +ATOM 3193 CB PRO A 484 14.567 14.224 82.785 1.00 19.40 C +ATOM 3194 CG PRO A 484 13.604 15.359 82.550 1.00 22.14 C +ATOM 3195 CD PRO A 484 13.000 15.669 83.889 1.00 23.13 C +ATOM 3196 N PRO A 485 15.695 11.886 84.813 1.00 27.75 N +ATOM 3197 CA PRO A 485 16.768 11.527 85.746 1.00 30.05 C +ATOM 3198 C PRO A 485 17.867 12.587 85.627 1.00 30.65 C +ATOM 3199 O PRO A 485 18.194 13.020 84.518 1.00 31.28 O +ATOM 3200 CB PRO A 485 17.242 10.157 85.248 1.00 31.44 C +ATOM 3201 CG PRO A 485 16.082 9.610 84.450 1.00 28.88 C +ATOM 3202 CD PRO A 485 15.414 10.811 83.840 1.00 28.42 C +ATOM 3203 N GLU A 486 18.413 13.019 86.757 1.00 26.67 N +ATOM 3204 CA GLU A 486 19.479 14.014 86.756 1.00 28.82 C +ATOM 3205 C GLU A 486 19.015 15.449 86.524 1.00 28.19 C +ATOM 3206 O GLU A 486 19.799 16.383 86.673 1.00 30.76 O +ATOM 3207 CB GLU A 486 20.548 13.660 85.711 1.00 31.97 C +ATOM 3208 CG GLU A 486 21.528 12.552 86.129 1.00 37.92 C +ATOM 3209 CD GLU A 486 21.866 12.560 87.619 1.00 40.58 C +ATOM 3210 OE1 GLU A 486 22.454 13.563 88.087 1.00 37.82 O +ATOM 3211 OE2 GLU A 486 21.545 11.560 88.316 1.00 37.97 O +ATOM 3212 N CYS A 487 17.757 15.647 86.157 1.00 26.81 N +ATOM 3213 CA CYS A 487 17.275 17.012 85.950 1.00 24.14 C +ATOM 3214 C CYS A 487 16.833 17.591 87.295 1.00 23.61 C +ATOM 3215 O CYS A 487 16.155 16.912 88.070 1.00 22.13 O +ATOM 3216 CB CYS A 487 16.089 17.031 84.980 1.00 19.07 C +ATOM 3217 SG CYS A 487 15.283 18.640 84.828 1.00 20.42 S +ATOM 3218 N PRO A 488 17.243 18.835 87.611 1.00 21.03 N +ATOM 3219 CA PRO A 488 16.814 19.403 88.895 1.00 20.98 C +ATOM 3220 C PRO A 488 15.292 19.632 88.928 1.00 21.50 C +ATOM 3221 O PRO A 488 14.689 20.028 87.925 1.00 20.18 O +ATOM 3222 CB PRO A 488 17.614 20.701 89.006 1.00 20.46 C +ATOM 3223 CG PRO A 488 18.066 21.018 87.618 1.00 20.23 C +ATOM 3224 CD PRO A 488 18.129 19.740 86.855 1.00 20.73 C +ATOM 3225 N GLU A 489 14.673 19.364 90.075 1.00 20.13 N +ATOM 3226 CA GLU A 489 13.230 19.535 90.216 1.00 23.09 C +ATOM 3227 C GLU A 489 12.770 20.940 89.845 1.00 21.62 C +ATOM 3228 O GLU A 489 11.675 21.126 89.311 1.00 19.47 O +ATOM 3229 CB GLU A 489 12.791 19.217 91.647 1.00 31.02 C +ATOM 3230 CG GLU A 489 11.277 19.231 91.838 1.00 42.65 C +ATOM 3231 CD GLU A 489 10.565 18.209 90.959 1.00 47.14 C +ATOM 3232 OE1 GLU A 489 11.046 17.055 90.887 1.00 49.22 O +ATOM 3233 OE2 GLU A 489 9.531 18.564 90.345 1.00 48.34 O +ATOM 3234 N SER A 490 13.615 21.921 90.141 1.00 21.29 N +ATOM 3235 CA SER A 490 13.333 23.318 89.837 1.00 23.01 C +ATOM 3236 C SER A 490 13.099 23.512 88.335 1.00 21.21 C +ATOM 3237 O SER A 490 12.233 24.282 87.930 1.00 19.14 O +ATOM 3238 CB SER A 490 14.506 24.190 90.296 1.00 25.05 C +ATOM 3239 OG SER A 490 15.354 23.478 91.191 1.00 33.65 O +ATOM 3240 N LEU A 491 13.883 22.814 87.517 1.00 20.60 N +ATOM 3241 CA LEU A 491 13.739 22.905 86.071 1.00 20.87 C +ATOM 3242 C LEU A 491 12.523 22.094 85.643 1.00 20.67 C +ATOM 3243 O LEU A 491 11.829 22.461 84.688 1.00 19.88 O +ATOM 3244 CB LEU A 491 14.990 22.376 85.360 1.00 22.72 C +ATOM 3245 CG LEU A 491 16.088 23.366 84.949 1.00 27.82 C +ATOM 3246 CD1 LEU A 491 17.066 22.645 84.014 1.00 26.58 C +ATOM 3247 CD2 LEU A 491 15.484 24.608 84.274 1.00 25.09 C +ATOM 3248 N HIS A 492 12.254 20.987 86.334 1.00 18.89 N +ATOM 3249 CA HIS A 492 11.085 20.202 85.975 1.00 18.50 C +ATOM 3250 C HIS A 492 9.838 21.040 86.286 1.00 16.49 C +ATOM 3251 O HIS A 492 8.836 20.974 85.581 1.00 17.88 O +ATOM 3252 CB HIS A 492 11.042 18.874 86.737 1.00 16.74 C +ATOM 3253 CG HIS A 492 9.778 18.100 86.509 1.00 18.89 C +ATOM 3254 ND1 HIS A 492 8.858 17.865 87.506 1.00 21.04 N +ATOM 3255 CD2 HIS A 492 9.258 17.554 85.384 1.00 21.75 C +ATOM 3256 CE1 HIS A 492 7.825 17.209 87.008 1.00 19.35 C +ATOM 3257 NE2 HIS A 492 8.043 17.008 85.719 1.00 21.37 N +ATOM 3258 N ASP A 493 9.905 21.849 87.334 1.00 15.95 N +ATOM 3259 CA ASP A 493 8.775 22.689 87.677 1.00 15.09 C +ATOM 3260 C ASP A 493 8.469 23.687 86.545 1.00 16.13 C +ATOM 3261 O ASP A 493 7.305 23.991 86.276 1.00 14.72 O +ATOM 3262 CB ASP A 493 9.055 23.448 88.972 1.00 17.34 C +ATOM 3263 CG ASP A 493 7.882 24.282 89.401 1.00 24.34 C +ATOM 3264 OD1 ASP A 493 6.818 23.694 89.681 1.00 29.38 O +ATOM 3265 OD2 ASP A 493 8.015 25.522 89.446 1.00 31.51 O +ATOM 3266 N LEU A 494 9.515 24.196 85.894 1.00 12.80 N +ATOM 3267 CA LEU A 494 9.355 25.143 84.790 1.00 12.80 C +ATOM 3268 C LEU A 494 8.608 24.456 83.643 1.00 13.24 C +ATOM 3269 O LEU A 494 7.676 25.024 83.066 1.00 13.06 O +ATOM 3270 CB LEU A 494 10.721 25.629 84.310 1.00 10.12 C +ATOM 3271 CG LEU A 494 10.669 26.829 83.359 1.00 12.08 C +ATOM 3272 CD1 LEU A 494 10.152 28.052 84.122 1.00 13.30 C +ATOM 3273 CD2 LEU A 494 12.051 27.098 82.762 1.00 12.44 C +ATOM 3274 N MET A 495 9.021 23.225 83.338 1.00 14.06 N +ATOM 3275 CA MET A 495 8.396 22.421 82.290 1.00 14.96 C +ATOM 3276 C MET A 495 6.909 22.266 82.586 1.00 16.35 C +ATOM 3277 O MET A 495 6.079 22.442 81.706 1.00 16.63 O +ATOM 3278 CB MET A 495 9.021 21.027 82.228 1.00 14.00 C +ATOM 3279 CG MET A 495 10.509 20.974 81.894 1.00 16.02 C +ATOM 3280 SD MET A 495 11.154 19.288 82.078 1.00 18.89 S +ATOM 3281 CE MET A 495 12.876 19.552 81.872 1.00 11.18 C +ATOM 3282 N CYS A 496 6.576 21.927 83.830 1.00 17.31 N +ATOM 3283 CA CYS A 496 5.181 21.748 84.225 1.00 15.42 C +ATOM 3284 C CYS A 496 4.342 23.013 84.066 1.00 12.27 C +ATOM 3285 O CYS A 496 3.140 22.932 83.845 1.00 17.27 O +ATOM 3286 CB CYS A 496 5.109 21.233 85.667 1.00 19.35 C +ATOM 3287 SG CYS A 496 5.614 19.496 85.814 1.00 25.80 S +ATOM 3288 N GLN A 497 4.972 24.177 84.175 1.00 13.72 N +ATOM 3289 CA GLN A 497 4.278 25.446 83.994 1.00 15.78 C +ATOM 3290 C GLN A 497 3.937 25.600 82.509 1.00 15.19 C +ATOM 3291 O GLN A 497 2.877 26.109 82.151 1.00 15.14 O +ATOM 3292 CB GLN A 497 5.177 26.603 84.405 1.00 15.05 C +ATOM 3293 CG GLN A 497 5.372 26.722 85.888 1.00 21.36 C +ATOM 3294 CD GLN A 497 6.215 27.924 86.251 1.00 25.77 C +ATOM 3295 OE1 GLN A 497 5.814 29.066 86.023 1.00 32.34 O +ATOM 3296 NE2 GLN A 497 7.389 27.676 86.820 1.00 31.44 N +ATOM 3297 N CYS A 498 4.861 25.157 81.661 1.00 15.88 N +ATOM 3298 CA CYS A 498 4.700 25.222 80.210 1.00 16.36 C +ATOM 3299 C CYS A 498 3.621 24.258 79.724 1.00 15.60 C +ATOM 3300 O CYS A 498 3.044 24.451 78.655 1.00 14.80 O +ATOM 3301 CB CYS A 498 6.025 24.874 79.517 1.00 14.63 C +ATOM 3302 SG CYS A 498 7.317 26.099 79.703 1.00 15.98 S +ATOM 3303 N TRP A 499 3.354 23.226 80.520 1.00 14.21 N +ATOM 3304 CA TRP A 499 2.372 22.209 80.180 1.00 13.86 C +ATOM 3305 C TRP A 499 1.029 22.369 80.893 1.00 15.37 C +ATOM 3306 O TRP A 499 0.280 21.402 81.019 1.00 17.87 O +ATOM 3307 CB TRP A 499 2.932 20.803 80.484 1.00 16.66 C +ATOM 3308 CG TRP A 499 4.246 20.467 79.812 1.00 13.65 C +ATOM 3309 CD1 TRP A 499 4.708 20.950 78.615 1.00 11.14 C +ATOM 3310 CD2 TRP A 499 5.250 19.562 80.295 1.00 13.11 C +ATOM 3311 NE1 TRP A 499 5.936 20.402 78.325 1.00 12.42 N +ATOM 3312 CE2 TRP A 499 6.294 19.547 79.337 1.00 13.57 C +ATOM 3313 CE3 TRP A 499 5.373 18.762 81.443 1.00 13.62 C +ATOM 3314 CZ2 TRP A 499 7.450 18.758 79.492 1.00 13.71 C +ATOM 3315 CZ3 TRP A 499 6.520 17.979 81.597 1.00 14.60 C +ATOM 3316 CH2 TRP A 499 7.544 17.984 80.625 1.00 17.31 C +ATOM 3317 N ARG A 500 0.715 23.572 81.371 1.00 16.83 N +ATOM 3318 CA ARG A 500 -0.570 23.786 82.030 1.00 17.02 C +ATOM 3319 C ARG A 500 -1.693 23.574 81.016 1.00 17.17 C +ATOM 3320 O ARG A 500 -1.556 23.905 79.835 1.00 12.97 O +ATOM 3321 CB ARG A 500 -0.661 25.204 82.606 1.00 15.51 C +ATOM 3322 CG ARG A 500 0.261 25.446 83.778 1.00 20.48 C +ATOM 3323 CD ARG A 500 0.138 26.845 84.310 1.00 24.20 C +ATOM 3324 NE ARG A 500 0.579 26.918 85.700 1.00 31.60 N +ATOM 3325 CZ ARG A 500 1.493 27.771 86.155 1.00 34.23 C +ATOM 3326 NH1 ARG A 500 2.079 28.629 85.328 1.00 39.08 N +ATOM 3327 NH2 ARG A 500 1.829 27.762 87.438 1.00 38.21 N +ATOM 3328 N LYS A 501 -2.801 23.018 81.494 1.00 18.43 N +ATOM 3329 CA LYS A 501 -3.979 22.755 80.670 1.00 20.99 C +ATOM 3330 C LYS A 501 -4.512 24.044 80.028 1.00 21.65 C +ATOM 3331 O LYS A 501 -4.916 24.035 78.865 1.00 20.09 O +ATOM 3332 CB LYS A 501 -5.069 22.101 81.538 1.00 21.03 C +ATOM 3333 CG LYS A 501 -6.432 21.974 80.887 1.00 22.04 C +ATOM 3334 CD LYS A 501 -7.385 21.153 81.747 1.00 22.03 C +ATOM 3335 CE LYS A 501 -8.323 22.049 82.521 1.00 26.81 C +ATOM 3336 NZ LYS A 501 -9.681 21.448 82.679 1.00 25.03 N +ATOM 3337 N GLU A 502 -4.506 25.140 80.792 1.00 19.73 N +ATOM 3338 CA GLU A 502 -4.976 26.446 80.317 1.00 19.61 C +ATOM 3339 C GLU A 502 -3.839 27.177 79.616 1.00 15.74 C +ATOM 3340 O GLU A 502 -2.862 27.571 80.238 1.00 15.01 O +ATOM 3341 CB GLU A 502 -5.487 27.276 81.487 1.00 22.29 C +ATOM 3342 CG GLU A 502 -6.822 26.801 82.009 1.00 32.62 C +ATOM 3343 CD GLU A 502 -7.927 26.952 80.979 1.00 38.61 C +ATOM 3344 OE1 GLU A 502 -7.851 27.892 80.150 1.00 36.08 O +ATOM 3345 OE2 GLU A 502 -8.871 26.128 81.004 1.00 42.08 O +ATOM 3346 N PRO A 503 -3.968 27.385 78.299 1.00 17.42 N +ATOM 3347 CA PRO A 503 -2.915 28.065 77.544 1.00 17.45 C +ATOM 3348 C PRO A 503 -2.475 29.418 78.088 1.00 17.60 C +ATOM 3349 O PRO A 503 -1.278 29.723 78.123 1.00 17.77 O +ATOM 3350 CB PRO A 503 -3.490 28.145 76.128 1.00 16.23 C +ATOM 3351 CG PRO A 503 -4.506 27.042 76.069 1.00 16.36 C +ATOM 3352 CD PRO A 503 -5.105 27.011 77.440 1.00 17.44 C +ATOM 3353 N GLU A 504 -3.437 30.224 78.525 1.00 21.46 N +ATOM 3354 CA GLU A 504 -3.129 31.550 79.049 1.00 23.19 C +ATOM 3355 C GLU A 504 -2.435 31.521 80.415 1.00 23.81 C +ATOM 3356 O GLU A 504 -1.885 32.525 80.858 1.00 24.37 O +ATOM 3357 CB GLU A 504 -4.407 32.390 79.119 1.00 25.85 C +ATOM 3358 CG GLU A 504 -4.960 32.787 77.755 1.00 29.65 C +ATOM 3359 CD GLU A 504 -3.954 33.567 76.909 1.00 38.42 C +ATOM 3360 OE1 GLU A 504 -3.603 34.711 77.290 1.00 37.17 O +ATOM 3361 OE2 GLU A 504 -3.520 33.036 75.860 1.00 38.18 O +ATOM 3362 N GLU A 505 -2.464 30.370 81.078 1.00 23.42 N +ATOM 3363 CA GLU A 505 -1.810 30.207 82.374 1.00 25.43 C +ATOM 3364 C GLU A 505 -0.323 29.884 82.157 1.00 25.25 C +ATOM 3365 O GLU A 505 0.493 29.977 83.076 1.00 21.93 O +ATOM 3366 CB GLU A 505 -2.464 29.065 83.162 1.00 30.15 C +ATOM 3367 CG GLU A 505 -3.595 29.472 84.103 1.00 42.01 C +ATOM 3368 CD GLU A 505 -4.140 28.286 84.911 1.00 52.62 C +ATOM 3369 OE1 GLU A 505 -3.376 27.690 85.703 1.00 57.59 O +ATOM 3370 OE2 GLU A 505 -5.333 27.943 84.754 1.00 56.61 O +ATOM 3371 N ARG A 506 0.024 29.493 80.932 1.00 22.53 N +ATOM 3372 CA ARG A 506 1.399 29.155 80.591 1.00 19.86 C +ATOM 3373 C ARG A 506 2.256 30.427 80.555 1.00 18.42 C +ATOM 3374 O ARG A 506 1.788 31.489 80.149 1.00 18.28 O +ATOM 3375 CB ARG A 506 1.421 28.453 79.228 1.00 22.09 C +ATOM 3376 CG ARG A 506 1.450 26.928 79.304 1.00 27.29 C +ATOM 3377 CD ARG A 506 0.169 26.251 78.807 1.00 25.03 C +ATOM 3378 NE ARG A 506 0.098 26.197 77.350 1.00 24.64 N +ATOM 3379 CZ ARG A 506 -0.691 25.390 76.635 1.00 20.54 C +ATOM 3380 NH1 ARG A 506 -1.505 24.513 77.202 1.00 15.36 N +ATOM 3381 NH2 ARG A 506 -0.650 25.459 75.322 1.00 19.25 N +ATOM 3382 N PRO A 507 3.527 30.337 80.976 1.00 17.36 N +ATOM 3383 CA PRO A 507 4.377 31.531 80.959 1.00 16.77 C +ATOM 3384 C PRO A 507 4.666 32.095 79.566 1.00 17.21 C +ATOM 3385 O PRO A 507 4.467 31.429 78.549 1.00 17.83 O +ATOM 3386 CB PRO A 507 5.658 31.073 81.657 1.00 17.27 C +ATOM 3387 CG PRO A 507 5.677 29.605 81.488 1.00 18.27 C +ATOM 3388 CD PRO A 507 4.245 29.161 81.491 1.00 16.37 C +ATOM 3389 N THR A 508 5.134 33.336 79.535 1.00 17.29 N +ATOM 3390 CA THR A 508 5.484 33.977 78.278 1.00 16.29 C +ATOM 3391 C THR A 508 6.935 33.618 77.953 1.00 17.38 C +ATOM 3392 O THR A 508 7.662 33.105 78.811 1.00 15.75 O +ATOM 3393 CB THR A 508 5.354 35.522 78.371 1.00 15.58 C +ATOM 3394 OG1 THR A 508 6.249 36.028 79.369 1.00 16.89 O +ATOM 3395 CG2 THR A 508 3.942 35.915 78.719 1.00 15.03 C +ATOM 3396 N PHE A 509 7.364 33.865 76.718 1.00 14.89 N +ATOM 3397 CA PHE A 509 8.741 33.573 76.367 1.00 13.15 C +ATOM 3398 C PHE A 509 9.644 34.649 76.957 1.00 15.20 C +ATOM 3399 O PHE A 509 10.842 34.433 77.151 1.00 16.57 O +ATOM 3400 CB PHE A 509 8.910 33.478 74.848 1.00 13.72 C +ATOM 3401 CG PHE A 509 8.538 32.127 74.284 1.00 13.17 C +ATOM 3402 CD1 PHE A 509 9.317 31.002 74.558 1.00 12.80 C +ATOM 3403 CD2 PHE A 509 7.394 31.975 73.509 1.00 9.57 C +ATOM 3404 CE1 PHE A 509 8.955 29.747 74.071 1.00 10.49 C +ATOM 3405 CE2 PHE A 509 7.026 30.727 73.019 1.00 13.34 C +ATOM 3406 CZ PHE A 509 7.805 29.610 73.300 1.00 11.22 C +ATOM 3407 N GLU A 510 9.067 35.808 77.257 1.00 16.55 N +ATOM 3408 CA GLU A 510 9.839 36.889 77.867 1.00 16.33 C +ATOM 3409 C GLU A 510 10.249 36.398 79.258 1.00 16.90 C +ATOM 3410 O GLU A 510 11.402 36.538 79.674 1.00 16.27 O +ATOM 3411 CB GLU A 510 8.977 38.145 77.986 1.00 22.02 C +ATOM 3412 CG GLU A 510 9.732 39.391 78.424 1.00 31.46 C +ATOM 3413 CD GLU A 510 8.798 40.553 78.738 1.00 39.14 C +ATOM 3414 OE1 GLU A 510 7.867 40.355 79.548 1.00 44.92 O +ATOM 3415 OE2 GLU A 510 8.989 41.661 78.180 1.00 41.29 O +ATOM 3416 N TYR A 511 9.288 35.804 79.962 1.00 17.20 N +ATOM 3417 CA TYR A 511 9.519 35.272 81.300 1.00 16.19 C +ATOM 3418 C TYR A 511 10.516 34.114 81.263 1.00 14.85 C +ATOM 3419 O TYR A 511 11.476 34.081 82.038 1.00 14.49 O +ATOM 3420 CB TYR A 511 8.197 34.801 81.924 1.00 16.59 C +ATOM 3421 CG TYR A 511 8.391 34.120 83.265 1.00 24.65 C +ATOM 3422 CD1 TYR A 511 8.511 34.871 84.440 1.00 28.08 C +ATOM 3423 CD2 TYR A 511 8.540 32.734 83.352 1.00 23.28 C +ATOM 3424 CE1 TYR A 511 8.784 34.257 85.664 1.00 28.21 C +ATOM 3425 CE2 TYR A 511 8.814 32.111 84.572 1.00 26.23 C +ATOM 3426 CZ TYR A 511 8.940 32.881 85.721 1.00 27.54 C +ATOM 3427 OH TYR A 511 9.263 32.281 86.917 1.00 30.59 O +ATOM 3428 N LEU A 512 10.287 33.164 80.360 1.00 16.26 N +ATOM 3429 CA LEU A 512 11.169 32.011 80.231 1.00 11.30 C +ATOM 3430 C LEU A 512 12.610 32.408 79.960 1.00 12.29 C +ATOM 3431 O LEU A 512 13.527 31.786 80.492 1.00 13.28 O +ATOM 3432 CB LEU A 512 10.662 31.081 79.123 1.00 14.46 C +ATOM 3433 CG LEU A 512 9.385 30.311 79.493 1.00 15.80 C +ATOM 3434 CD1 LEU A 512 8.696 29.783 78.236 1.00 17.71 C +ATOM 3435 CD2 LEU A 512 9.750 29.155 80.427 1.00 17.62 C +ATOM 3436 N GLN A 513 12.816 33.439 79.138 1.00 13.67 N +ATOM 3437 CA GLN A 513 14.168 33.902 78.823 1.00 14.16 C +ATOM 3438 C GLN A 513 14.891 34.485 80.048 1.00 14.88 C +ATOM 3439 O GLN A 513 16.080 34.216 80.266 1.00 14.27 O +ATOM 3440 CB GLN A 513 14.138 34.960 77.714 1.00 15.54 C +ATOM 3441 CG GLN A 513 15.544 35.386 77.259 1.00 18.04 C +ATOM 3442 CD GLN A 513 15.543 36.572 76.310 1.00 19.81 C +ATOM 3443 OE1 GLN A 513 14.509 36.937 75.747 1.00 18.43 O +ATOM 3444 NE2 GLN A 513 16.709 37.182 76.131 1.00 21.63 N +ATOM 3445 N ALA A 514 14.164 35.285 80.828 1.00 15.97 N +ATOM 3446 CA ALA A 514 14.704 35.911 82.036 1.00 14.33 C +ATOM 3447 C ALA A 514 15.017 34.851 83.088 1.00 14.33 C +ATOM 3448 O ALA A 514 16.093 34.866 83.684 1.00 17.76 O +ATOM 3449 CB ALA A 514 13.706 36.922 82.581 1.00 13.80 C +ATOM 3450 N PHE A 515 14.080 33.926 83.295 1.00 16.85 N +ATOM 3451 CA PHE A 515 14.233 32.827 84.264 1.00 15.87 C +ATOM 3452 C PHE A 515 15.460 31.964 83.957 1.00 16.80 C +ATOM 3453 O PHE A 515 16.247 31.649 84.854 1.00 14.51 O +ATOM 3454 CB PHE A 515 12.966 31.943 84.269 1.00 18.59 C +ATOM 3455 CG PHE A 515 13.063 30.719 85.164 1.00 23.13 C +ATOM 3456 CD1 PHE A 515 13.800 29.599 84.775 1.00 20.65 C +ATOM 3457 CD2 PHE A 515 12.419 30.688 86.396 1.00 22.56 C +ATOM 3458 CE1 PHE A 515 13.895 28.473 85.600 1.00 22.20 C +ATOM 3459 CE2 PHE A 515 12.514 29.560 87.226 1.00 20.23 C +ATOM 3460 CZ PHE A 515 13.251 28.458 86.825 1.00 18.25 C +ATOM 3461 N LEU A 516 15.621 31.576 82.692 1.00 14.12 N +ATOM 3462 CA LEU A 516 16.751 30.748 82.305 1.00 14.97 C +ATOM 3463 C LEU A 516 18.073 31.512 82.316 1.00 16.77 C +ATOM 3464 O LEU A 516 19.105 30.961 82.696 1.00 18.31 O +ATOM 3465 CB LEU A 516 16.502 30.110 80.929 1.00 13.20 C +ATOM 3466 CG LEU A 516 15.379 29.062 80.910 1.00 15.35 C +ATOM 3467 CD1 LEU A 516 15.039 28.712 79.468 1.00 13.04 C +ATOM 3468 CD2 LEU A 516 15.800 27.801 81.691 1.00 11.65 C +ATOM 3469 N GLU A 517 18.059 32.778 81.910 1.00 19.17 N +ATOM 3470 CA GLU A 517 19.292 33.562 81.916 1.00 22.34 C +ATOM 3471 C GLU A 517 19.791 33.784 83.346 1.00 22.34 C +ATOM 3472 O GLU A 517 20.994 33.790 83.589 1.00 22.53 O +ATOM 3473 CB GLU A 517 19.077 34.917 81.234 1.00 23.80 C +ATOM 3474 CG GLU A 517 19.472 34.936 79.765 1.00 25.59 C +ATOM 3475 CD GLU A 517 18.944 36.154 79.026 1.00 30.98 C +ATOM 3476 OE1 GLU A 517 18.590 37.152 79.691 1.00 33.79 O +ATOM 3477 OE2 GLU A 517 18.881 36.114 77.778 1.00 30.49 O +ATOM 3478 N ASP A 518 18.867 33.960 84.288 1.00 23.60 N +ATOM 3479 CA ASP A 518 19.238 34.185 85.688 1.00 25.97 C +ATOM 3480 C ASP A 518 19.170 32.928 86.557 1.00 24.61 C +ATOM 3481 O ASP A 518 19.278 33.038 87.778 1.00 23.30 O +ATOM 3482 CB ASP A 518 18.332 35.248 86.335 1.00 30.15 C +ATOM 3483 CG ASP A 518 18.174 36.497 85.484 1.00 38.58 C +ATOM 3484 OD1 ASP A 518 19.133 36.866 84.769 1.00 42.14 O +ATOM 3485 OD2 ASP A 518 17.084 37.114 85.536 1.00 42.92 O +ATOM 3486 N TYR A 519 18.998 31.754 85.942 1.00 22.23 N +ATOM 3487 CA TYR A 519 18.875 30.493 86.686 1.00 24.68 C +ATOM 3488 C TYR A 519 19.911 30.285 87.778 1.00 28.32 C +ATOM 3489 O TYR A 519 19.569 30.000 88.927 1.00 26.80 O +ATOM 3490 CB TYR A 519 18.921 29.284 85.749 1.00 20.73 C +ATOM 3491 CG TYR A 519 18.511 27.994 86.440 1.00 20.33 C +ATOM 3492 CD1 TYR A 519 17.173 27.737 86.746 1.00 21.90 C +ATOM 3493 CD2 TYR A 519 19.460 27.041 86.807 1.00 21.28 C +ATOM 3494 CE1 TYR A 519 16.790 26.570 87.397 1.00 20.98 C +ATOM 3495 CE2 TYR A 519 19.085 25.863 87.461 1.00 18.25 C +ATOM 3496 CZ TYR A 519 17.752 25.639 87.751 1.00 19.54 C +ATOM 3497 OH TYR A 519 17.370 24.480 88.388 1.00 20.87 O +ATOM 3498 N PHE A 520 21.179 30.398 87.402 1.00 33.86 N +ATOM 3499 CA PHE A 520 22.270 30.238 88.344 1.00 39.81 C +ATOM 3500 C PHE A 520 22.655 31.625 88.837 1.00 47.92 C +ATOM 3501 O PHE A 520 23.579 32.242 88.313 1.00 51.24 O +ATOM 3502 CB PHE A 520 23.462 29.575 87.656 1.00 34.58 C +ATOM 3503 CG PHE A 520 23.268 28.110 87.389 1.00 32.66 C +ATOM 3504 CD1 PHE A 520 23.104 27.212 88.442 1.00 29.15 C +ATOM 3505 CD2 PHE A 520 23.254 27.625 86.081 1.00 29.03 C +ATOM 3506 CE1 PHE A 520 22.930 25.857 88.198 1.00 27.94 C +ATOM 3507 CE2 PHE A 520 23.081 26.268 85.825 1.00 28.33 C +ATOM 3508 CZ PHE A 520 22.919 25.380 86.885 1.00 29.75 C +ATOM 3509 N THR A 521 21.918 32.109 89.831 1.00 55.51 N +ATOM 3510 CA THR A 521 22.146 33.422 90.430 1.00 64.65 C +ATOM 3511 C THR A 521 22.976 34.394 89.582 1.00 71.05 C +ATOM 3512 O THR A 521 24.205 34.460 89.717 1.00 72.11 O +ATOM 3513 CB THR A 521 22.816 33.268 91.806 1.00 63.92 C +ATOM 3514 OG1 THR A 521 24.085 32.621 91.653 1.00 62.42 O +ATOM 3515 CG2 THR A 521 21.935 32.433 92.728 1.00 63.85 C +ATOM 3516 N SER A 522 22.296 35.148 88.716 1.00 76.89 N +ATOM 3517 CA SER A 522 22.951 36.125 87.842 1.00 81.60 C +ATOM 3518 C SER A 522 21.968 36.903 86.954 1.00 85.20 C +ATOM 3519 O SER A 522 21.919 36.683 85.741 1.00 86.06 O +ATOM 3520 CB SER A 522 23.986 35.423 86.951 1.00 81.20 C +ATOM 3521 OG SER A 522 23.373 34.460 86.108 1.00 78.48 O +ATOM 3522 N THR A 523 21.198 37.815 87.552 1.00 88.42 N +ATOM 3523 CA THR A 523 20.220 38.621 86.801 1.00 91.35 C +ATOM 3524 C THR A 523 20.898 39.657 85.894 1.00 91.55 C +ATOM 3525 O THR A 523 20.317 40.700 85.561 1.00 89.65 O +ATOM 3526 CB THR A 523 19.234 39.358 87.752 1.00 92.28 C +ATOM 3527 OG1 THR A 523 19.960 39.985 88.818 1.00 93.50 O +ATOM 3528 CG2 THR A 523 18.219 38.376 88.335 1.00 91.74 C +ATOM 3529 N GLU A 524 22.130 39.342 85.502 1.00 92.49 N +ATOM 3530 CA GLU A 524 22.953 40.189 84.646 1.00 92.66 C +ATOM 3531 C GLU A 524 23.336 41.529 85.279 1.00 92.39 C +ATOM 3532 O GLU A 524 23.472 42.531 84.579 1.00 92.52 O +ATOM 3533 CB GLU A 524 22.249 40.425 83.305 1.00 92.49 C +ATOM 3534 CG GLU A 524 22.768 39.539 82.172 1.00 91.51 C +ATOM 3535 CD GLU A 524 22.492 38.064 82.403 1.00 89.77 C +ATOM 3536 OE1 GLU A 524 21.338 37.723 82.736 1.00 87.61 O +ATOM 3537 OE2 GLU A 524 23.430 37.248 82.248 1.00 87.51 O +ATOM 3538 N PRO A 525 23.512 41.567 86.614 1.00 91.59 N +ATOM 3539 CA PRO A 525 23.880 42.811 87.283 1.00 90.75 C +ATOM 3540 C PRO A 525 25.349 42.761 87.686 1.00 89.72 C +ATOM 3541 O PRO A 525 26.136 42.001 87.120 1.00 90.81 O +ATOM 3542 CB PRO A 525 22.978 42.806 88.504 1.00 92.56 C +ATOM 3543 CG PRO A 525 22.875 41.297 88.855 1.00 92.47 C +ATOM 3544 CD PRO A 525 23.332 40.507 87.620 1.00 92.56 C +ATOM 3545 N GLN A 526 25.701 43.573 88.678 1.00 86.82 N +ATOM 3546 CA GLN A 526 27.057 43.622 89.206 1.00 83.21 C +ATOM 3547 C GLN A 526 28.117 44.149 88.239 1.00 81.52 C +ATOM 3548 O GLN A 526 28.404 43.545 87.207 1.00 81.04 O +ATOM 3549 CB GLN A 526 27.460 42.231 89.715 1.00 82.31 C +ATOM 3550 CG GLN A 526 28.906 42.120 90.168 1.00 82.05 C +ATOM 3551 CD GLN A 526 29.042 41.666 91.611 1.00 83.00 C +ATOM 3552 OE1 GLN A 526 30.082 41.865 92.239 1.00 82.80 O +ATOM 3553 NE2 GLN A 526 27.991 41.050 92.145 1.00 82.23 N +ATOM 3554 N GLN A 528 32.082 45.905 88.540 1.00 79.98 N +ATOM 3555 CA GLN A 528 33.154 46.133 89.503 1.00 83.99 C +ATOM 3556 C GLN A 528 33.063 47.572 90.025 1.00 87.92 C +ATOM 3557 O GLN A 528 32.498 48.447 89.365 1.00 89.24 O +ATOM 3558 CB GLN A 528 34.517 45.913 88.843 1.00 82.44 C +ATOM 3559 CG GLN A 528 35.183 44.610 89.219 1.00 83.53 C +ATOM 3560 CD GLN A 528 34.215 43.448 89.199 1.00 83.64 C +ATOM 3561 OE1 GLN A 528 34.103 42.740 88.201 1.00 84.84 O +ATOM 3562 NE2 GLN A 528 33.506 43.248 90.303 1.00 84.21 N +ATOM 3563 N PRO A 529 33.605 47.832 91.224 1.00 90.65 N +ATOM 3564 CA PRO A 529 33.557 49.189 91.782 1.00 92.42 C +ATOM 3565 C PRO A 529 34.509 50.163 91.076 1.00 94.94 C +ATOM 3566 O PRO A 529 34.078 51.204 90.576 1.00 94.98 O +ATOM 3567 CB PRO A 529 33.925 48.987 93.249 1.00 91.65 C +ATOM 3568 CG PRO A 529 34.777 47.760 93.246 1.00 91.68 C +ATOM 3569 CD PRO A 529 34.270 46.882 92.133 1.00 91.15 C +ATOM 3570 N GLY A 530 35.798 49.825 91.036 1.00 96.48 N +ATOM 3571 CA GLY A 530 36.764 50.692 90.382 1.00 97.58 C +ATOM 3572 C GLY A 530 38.223 50.318 90.593 1.00 98.75 C +ATOM 3573 O GLY A 530 38.836 49.689 89.727 1.00 98.21 O +ATOM 3574 N GLU A 531 38.777 50.713 91.740 1.00 99.85 N +ATOM 3575 CA GLU A 531 40.176 50.436 92.081 1.00 99.94 C +ATOM 3576 C GLU A 531 40.299 49.305 93.100 1.00100.00 C +ATOM 3577 O GLU A 531 40.021 49.493 94.288 1.00100.00 O +ATOM 3578 CB GLU A 531 40.842 51.697 92.643 1.00100.00 C +ATOM 3579 CG GLU A 531 40.117 52.302 93.839 1.00100.00 C +ATOM 3580 CD GLU A 531 39.185 53.432 93.445 1.00100.00 C +ATOM 3581 OE1 GLU A 531 39.689 54.476 92.977 1.00 99.50 O +ATOM 3582 OE2 GLU A 531 37.953 53.278 93.603 1.00 99.01 O +ATOM 3583 N ASN A 532 40.727 48.135 92.625 1.00100.00 N +ATOM 3584 CA ASN A 532 40.884 46.950 93.474 1.00100.00 C +ATOM 3585 C ASN A 532 42.211 46.918 94.235 1.00100.00 C +ATOM 3586 O ASN A 532 42.383 46.121 95.159 1.00100.00 O +ATOM 3587 CB ASN A 532 40.711 45.665 92.633 1.00 99.64 C +ATOM 3588 CG ASN A 532 42.025 45.135 92.067 1.00 98.48 C +ATOM 3589 OD1 ASN A 532 42.541 44.112 92.519 1.00 98.38 O +ATOM 3590 ND2 ASN A 532 42.560 45.822 91.065 1.00 97.28 N +ATOM 3591 N LEU A 533 43.137 47.792 93.847 1.00100.00 N +ATOM 3592 CA LEU A 533 44.447 47.882 94.493 1.00100.00 C +ATOM 3593 C LEU A 533 45.118 49.207 94.120 1.00 99.96 C +ATOM 3594 O LEU A 533 44.417 50.085 93.565 1.00 99.39 O +ATOM 3595 CB LEU A 533 45.345 46.703 94.071 1.00 99.72 C +ATOM 3596 CG LEU A 533 45.446 45.420 94.921 1.00 98.34 C +ATOM 3597 CD1 LEU A 533 46.856 44.842 94.789 1.00 96.72 C +ATOM 3598 CD2 LEU A 533 45.123 45.698 96.388 1.00 97.42 C +ATOM 3599 OXT LEU A 533 46.332 49.353 94.388 1.00 99.36 O +TER 3600 LEU A 533 +END diff --git a/bench/main_benchmark/structures/SFB_AL_SRC_2SRCA_1Y57A/state_b.pdb b/bench/main_benchmark/structures/SFB_AL_SRC_2SRCA_1Y57A/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d42bba26bc35c66703b73b86781531a248de0bb8 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_AL_SRC_2SRCA_1Y57A/state_b.pdb @@ -0,0 +1,3602 @@ +ATOM 1 N MET A 82 -29.987 45.351 61.119 1.00 38.47 N +ATOM 2 CA MET A 82 -29.755 44.142 61.957 1.00 37.12 C +ATOM 3 C MET A 82 -28.345 44.258 62.510 1.00 36.64 C +ATOM 4 O MET A 82 -27.367 44.123 61.760 1.00 33.89 O +ATOM 5 CB MET A 82 -29.885 42.870 61.110 1.00 38.42 C +ATOM 6 CG MET A 82 -31.271 42.247 61.117 1.00 40.08 C +ATOM 7 SD MET A 82 -31.379 40.639 60.281 1.00 41.19 S +ATOM 8 CE MET A 82 -30.028 40.672 58.986 1.00 43.17 C +ATOM 9 N VAL A 83 -28.232 44.527 63.810 1.00 34.46 N +ATOM 10 CA VAL A 83 -26.922 44.727 64.423 1.00 33.73 C +ATOM 11 C VAL A 83 -26.083 43.439 64.305 1.00 31.41 C +ATOM 12 O VAL A 83 -26.594 42.338 64.589 1.00 30.20 O +ATOM 13 CB VAL A 83 -27.050 45.210 65.894 1.00 35.05 C +ATOM 14 CG1 VAL A 83 -25.700 45.243 66.579 1.00 36.24 C +ATOM 15 CG2 VAL A 83 -27.664 46.623 65.918 1.00 37.28 C +ATOM 16 N THR A 84 -24.816 43.636 63.892 1.00 26.87 N +ATOM 17 CA THR A 84 -23.798 42.634 63.487 1.00 25.65 C +ATOM 18 C THR A 84 -23.867 42.178 62.016 1.00 24.31 C +ATOM 19 O THR A 84 -22.996 41.453 61.570 1.00 23.98 O +ATOM 20 CB THR A 84 -23.671 41.393 64.430 1.00 26.40 C +ATOM 21 OG1 THR A 84 -24.809 40.523 64.300 1.00 26.56 O +ATOM 22 CG2 THR A 84 -23.633 41.810 65.902 1.00 26.55 C +ATOM 23 N THR A 85 -24.884 42.598 61.276 1.00 22.95 N +ATOM 24 CA THR A 85 -24.915 42.374 59.832 1.00 22.96 C +ATOM 25 C THR A 85 -24.367 43.613 59.122 1.00 22.67 C +ATOM 26 O THR A 85 -24.791 44.739 59.385 1.00 23.39 O +ATOM 27 CB THR A 85 -26.336 42.078 59.349 1.00 23.08 C +ATOM 28 OG1 THR A 85 -26.847 40.931 60.031 1.00 23.04 O +ATOM 29 CG2 THR A 85 -26.341 41.644 57.895 1.00 22.13 C +ATOM 30 N PHE A 86 -23.427 43.384 58.228 1.00 22.43 N +ATOM 31 CA PHE A 86 -22.843 44.414 57.389 1.00 21.49 C +ATOM 32 C PHE A 86 -23.108 44.102 55.918 1.00 21.35 C +ATOM 33 O PHE A 86 -23.353 42.963 55.550 1.00 22.17 O +ATOM 34 CB PHE A 86 -21.346 44.485 57.656 1.00 22.85 C +ATOM 35 CG PHE A 86 -21.018 45.015 59.011 1.00 23.21 C +ATOM 36 CD1 PHE A 86 -21.177 44.217 60.137 1.00 23.61 C +ATOM 37 CD2 PHE A 86 -20.597 46.329 59.175 1.00 28.21 C +ATOM 38 CE1 PHE A 86 -20.918 44.717 61.397 1.00 24.51 C +ATOM 39 CE2 PHE A 86 -20.316 46.834 60.436 1.00 30.26 C +ATOM 40 CZ PHE A 86 -20.475 46.023 61.551 1.00 28.49 C +ATOM 41 N VAL A 87 -23.036 45.129 55.085 1.00 21.05 N +ATOM 42 CA VAL A 87 -23.217 45.021 53.645 1.00 22.02 C +ATOM 43 C VAL A 87 -21.938 45.517 52.946 1.00 21.65 C +ATOM 44 O VAL A 87 -21.414 46.577 53.294 1.00 21.28 O +ATOM 45 CB VAL A 87 -24.404 45.907 53.191 1.00 22.50 C +ATOM 46 CG1 VAL A 87 -24.576 45.841 51.670 1.00 23.46 C +ATOM 47 CG2 VAL A 87 -25.689 45.475 53.910 1.00 24.28 C +ATOM 48 N ALA A 88 -21.445 44.755 51.971 1.00 21.73 N +ATOM 49 CA ALA A 88 -20.262 45.141 51.203 1.00 22.35 C +ATOM 50 C ALA A 88 -20.571 46.307 50.260 1.00 24.15 C +ATOM 51 O ALA A 88 -21.576 46.298 49.533 1.00 22.70 O +ATOM 52 CB ALA A 88 -19.736 43.961 50.393 1.00 22.43 C +ATOM 53 N LEU A 89 -19.700 47.304 50.288 1.00 23.87 N +ATOM 54 CA LEU A 89 -19.796 48.462 49.387 1.00 25.87 C +ATOM 55 C LEU A 89 -19.057 48.240 48.068 1.00 25.41 C +ATOM 56 O LEU A 89 -19.363 48.895 47.076 1.00 23.74 O +ATOM 57 CB LEU A 89 -19.224 49.691 50.078 1.00 26.32 C +ATOM 58 CG LEU A 89 -19.901 50.056 51.411 1.00 30.94 C +ATOM 59 CD1 LEU A 89 -19.088 51.100 52.177 1.00 34.64 C +ATOM 60 CD2 LEU A 89 -21.296 50.543 51.175 1.00 34.56 C +ATOM 61 N TYR A 90 -18.069 47.338 48.071 1.00 25.41 N +ATOM 62 CA TYR A 90 -17.248 47.033 46.894 1.00 25.40 C +ATOM 63 C TYR A 90 -16.958 45.538 46.773 1.00 25.85 C +ATOM 64 O TYR A 90 -17.151 44.787 47.727 1.00 26.61 O +ATOM 65 CB TYR A 90 -15.922 47.794 46.966 1.00 26.05 C +ATOM 66 CG TYR A 90 -16.030 49.209 47.513 1.00 27.62 C +ATOM 67 CD1 TYR A 90 -16.417 50.271 46.697 1.00 30.72 C +ATOM 68 CD2 TYR A 90 -15.709 49.486 48.834 1.00 31.24 C +ATOM 69 CE1 TYR A 90 -16.516 51.572 47.205 1.00 31.38 C +ATOM 70 CE2 TYR A 90 -15.794 50.779 49.350 1.00 32.20 C +ATOM 71 CZ TYR A 90 -16.199 51.816 48.533 1.00 34.02 C +ATOM 72 OH TYR A 90 -16.271 53.090 49.064 1.00 37.39 O +ATOM 73 N ASP A 91 -16.515 45.095 45.597 1.00 26.34 N +ATOM 74 CA ASP A 91 -16.003 43.732 45.433 1.00 26.17 C +ATOM 75 C ASP A 91 -14.621 43.610 46.081 1.00 25.68 C +ATOM 76 O ASP A 91 -13.799 44.535 46.010 1.00 25.36 O +ATOM 77 CB ASP A 91 -15.829 43.330 43.963 1.00 26.49 C +ATOM 78 CG ASP A 91 -17.124 43.329 43.165 1.00 31.38 C +ATOM 79 OD1 ASP A 91 -18.233 43.160 43.725 1.00 30.80 O +ATOM 80 OD2 ASP A 91 -17.108 43.476 41.922 1.00 33.63 O +ATOM 81 N TYR A 92 -14.352 42.451 46.670 1.00 24.27 N +ATOM 82 CA TYR A 92 -13.014 42.113 47.149 1.00 23.79 C +ATOM 83 C TYR A 92 -12.678 40.669 46.747 1.00 24.78 C +ATOM 84 O TYR A 92 -13.448 39.736 47.019 1.00 22.59 O +ATOM 85 CB TYR A 92 -12.895 42.286 48.671 1.00 23.80 C +ATOM 86 CG TYR A 92 -11.535 41.870 49.207 1.00 23.08 C +ATOM 87 CD1 TYR A 92 -10.411 42.684 49.034 1.00 23.76 C +ATOM 88 CD2 TYR A 92 -11.359 40.659 49.857 1.00 23.81 C +ATOM 89 CE1 TYR A 92 -9.155 42.301 49.516 1.00 23.87 C +ATOM 90 CE2 TYR A 92 -10.120 40.267 50.338 1.00 23.53 C +ATOM 91 CZ TYR A 92 -9.005 41.093 50.152 1.00 24.72 C +ATOM 92 OH TYR A 92 -7.762 40.692 50.616 1.00 23.98 O +ATOM 93 N GLU A 93 -11.509 40.498 46.129 1.00 26.16 N +ATOM 94 CA GLU A 93 -10.976 39.197 45.728 1.00 26.99 C +ATOM 95 C GLU A 93 -9.966 38.679 46.763 1.00 26.48 C +ATOM 96 O GLU A 93 -9.028 39.395 47.140 1.00 26.61 O +ATOM 97 CB GLU A 93 -10.286 39.330 44.362 1.00 29.83 C +ATOM 98 CG GLU A 93 -10.171 38.037 43.579 1.00 35.81 C +ATOM 99 CD GLU A 93 -9.528 38.242 42.204 1.00 44.04 C +ATOM 100 OE1 GLU A 93 -10.020 39.104 41.424 1.00 48.31 O +ATOM 101 OE2 GLU A 93 -8.520 37.553 41.903 1.00 47.43 O +ATOM 102 N SER A 94 -10.170 37.440 47.213 1.00 25.61 N +ATOM 103 CA SER A 94 -9.260 36.729 48.121 1.00 25.61 C +ATOM 104 C SER A 94 -7.863 36.639 47.532 1.00 24.61 C +ATOM 105 O SER A 94 -7.698 36.276 46.371 1.00 23.23 O +ATOM 106 CB SER A 94 -9.759 35.296 48.382 1.00 26.66 C +ATOM 107 OG SER A 94 -8.802 34.524 49.120 1.00 26.73 O +ATOM 108 N ARG A 95 -6.866 37.005 48.325 1.00 23.72 N +ATOM 109 CA ARG A 95 -5.464 36.860 47.926 1.00 23.44 C +ATOM 110 C ARG A 95 -4.575 36.210 48.988 1.00 23.96 C +ATOM 111 O ARG A 95 -3.341 36.157 48.832 1.00 23.87 O +ATOM 112 CB ARG A 95 -4.909 38.214 47.465 1.00 23.69 C +ATOM 113 CG ARG A 95 -5.077 39.366 48.442 1.00 22.28 C +ATOM 114 CD ARG A 95 -4.066 40.472 48.190 1.00 22.90 C +ATOM 115 NE ARG A 95 -2.743 39.925 48.463 1.00 22.32 N +ATOM 116 CZ ARG A 95 -2.186 39.860 49.664 1.00 23.70 C +ATOM 117 NH1 ARG A 95 -2.791 40.376 50.729 1.00 22.36 N +ATOM 118 NH2 ARG A 95 -1.016 39.267 49.805 1.00 20.80 N +ATOM 119 N THR A 96 -5.190 35.678 50.046 1.00 21.84 N +ATOM 120 CA THR A 96 -4.491 34.848 51.030 1.00 22.88 C +ATOM 121 C THR A 96 -5.324 33.598 51.332 1.00 22.96 C +ATOM 122 O THR A 96 -6.416 33.408 50.789 1.00 22.99 O +ATOM 123 CB THR A 96 -4.227 35.599 52.367 1.00 22.94 C +ATOM 124 OG1 THR A 96 -5.440 35.689 53.133 1.00 23.23 O +ATOM 125 CG2 THR A 96 -3.770 37.013 52.151 1.00 24.01 C +ATOM 126 N GLU A 97 -4.814 32.752 52.212 1.00 23.17 N +ATOM 127 CA GLU A 97 -5.527 31.529 52.577 1.00 23.70 C +ATOM 128 C GLU A 97 -6.680 31.759 53.558 1.00 23.69 C +ATOM 129 O GLU A 97 -7.510 30.866 53.736 1.00 23.37 O +ATOM 130 CB GLU A 97 -4.541 30.480 53.115 1.00 24.03 C +ATOM 131 CG GLU A 97 -3.572 30.049 52.006 1.00 28.98 C +ATOM 132 CD GLU A 97 -2.627 28.930 52.398 1.00 30.97 C +ATOM 133 OE1 GLU A 97 -2.324 28.770 53.599 1.00 35.84 O +ATOM 134 OE2 GLU A 97 -2.175 28.213 51.480 1.00 38.04 O +ATOM 135 N THR A 98 -6.739 32.939 54.183 1.00 22.17 N +ATOM 136 CA THR A 98 -7.711 33.192 55.231 1.00 22.88 C +ATOM 137 C THR A 98 -8.537 34.453 55.074 1.00 22.70 C +ATOM 138 O THR A 98 -9.316 34.758 55.963 1.00 22.60 O +ATOM 139 CB THR A 98 -7.037 33.201 56.630 1.00 22.53 C +ATOM 140 OG1 THR A 98 -6.007 34.187 56.678 1.00 23.62 O +ATOM 141 CG2 THR A 98 -6.346 31.856 56.908 1.00 24.82 C +ATOM 142 N ASP A 99 -8.379 35.175 53.970 1.00 21.98 N +ATOM 143 CA ASP A 99 -9.279 36.276 53.660 1.00 22.44 C +ATOM 144 C ASP A 99 -10.518 35.748 52.922 1.00 23.39 C +ATOM 145 O ASP A 99 -10.563 34.577 52.505 1.00 25.03 O +ATOM 146 CB ASP A 99 -8.579 37.462 52.950 1.00 22.60 C +ATOM 147 CG ASP A 99 -7.967 37.118 51.590 1.00 24.55 C +ATOM 148 OD1 ASP A 99 -7.947 35.943 51.169 1.00 25.63 O +ATOM 149 OD2 ASP A 99 -7.457 38.024 50.873 1.00 25.39 O +ATOM 150 N LEU A 100 -11.527 36.597 52.810 1.00 23.01 N +ATOM 151 CA LEU A 100 -12.843 36.199 52.294 1.00 22.84 C +ATOM 152 C LEU A 100 -13.156 37.022 51.055 1.00 22.99 C +ATOM 153 O LEU A 100 -13.161 38.251 51.124 1.00 24.30 O +ATOM 154 CB LEU A 100 -13.911 36.452 53.370 1.00 23.09 C +ATOM 155 CG LEU A 100 -15.391 36.264 53.001 1.00 23.08 C +ATOM 156 CD1 LEU A 100 -15.635 34.810 52.671 1.00 23.22 C +ATOM 157 CD2 LEU A 100 -16.305 36.731 54.119 1.00 24.74 C +ATOM 158 N SER A 101 -13.397 36.351 49.930 1.00 22.85 N +ATOM 159 CA SER A 101 -13.943 36.971 48.727 1.00 23.71 C +ATOM 160 C SER A 101 -15.401 37.354 48.946 1.00 24.91 C +ATOM 161 O SER A 101 -16.156 36.606 49.575 1.00 24.60 O +ATOM 162 CB SER A 101 -13.930 35.986 47.547 1.00 25.74 C +ATOM 163 OG SER A 101 -12.637 35.823 47.028 1.00 28.01 O +ATOM 164 N PHE A 102 -15.794 38.508 48.430 1.00 23.41 N +ATOM 165 CA PHE A 102 -17.195 38.917 48.451 1.00 23.74 C +ATOM 166 C PHE A 102 -17.480 39.903 47.342 1.00 24.00 C +ATOM 167 O PHE A 102 -16.561 40.502 46.781 1.00 23.41 O +ATOM 168 CB PHE A 102 -17.601 39.504 49.819 1.00 22.46 C +ATOM 169 CG PHE A 102 -16.772 40.667 50.269 1.00 22.39 C +ATOM 170 CD1 PHE A 102 -17.101 41.965 49.901 1.00 22.33 C +ATOM 171 CD2 PHE A 102 -15.655 40.474 51.081 1.00 23.33 C +ATOM 172 CE1 PHE A 102 -16.326 43.046 50.329 1.00 22.20 C +ATOM 173 CE2 PHE A 102 -14.893 41.556 51.506 1.00 21.12 C +ATOM 174 CZ PHE A 102 -15.237 42.839 51.134 1.00 21.20 C +ATOM 175 N LYS A 103 -18.759 40.059 47.033 1.00 24.11 N +ATOM 176 CA LYS A 103 -19.224 40.965 45.991 1.00 26.11 C +ATOM 177 C LYS A 103 -19.971 42.122 46.629 1.00 27.04 C +ATOM 178 O LYS A 103 -20.515 41.980 47.728 1.00 24.62 O +ATOM 179 CB LYS A 103 -20.158 40.222 45.037 1.00 27.71 C +ATOM 180 CG LYS A 103 -19.501 39.025 44.348 1.00 30.76 C +ATOM 181 CD LYS A 103 -18.393 39.478 43.413 1.00 36.02 C +ATOM 182 CE LYS A 103 -17.939 38.369 42.471 1.00 38.48 C +ATOM 183 NZ LYS A 103 -17.168 38.959 41.349 1.00 41.63 N +ATOM 184 N LYS A 104 -20.004 43.272 45.958 1.00 26.28 N +ATOM 185 CA LYS A 104 -20.772 44.400 46.481 1.00 28.96 C +ATOM 186 C LYS A 104 -22.222 43.970 46.675 1.00 26.96 C +ATOM 187 O LYS A 104 -22.761 43.171 45.899 1.00 26.76 O +ATOM 188 CB LYS A 104 -20.653 45.660 45.596 1.00 29.96 C +ATOM 189 CG LYS A 104 -21.478 45.677 44.339 1.00 36.51 C +ATOM 190 CD LYS A 104 -21.145 46.936 43.509 1.00 41.23 C +ATOM 191 CE LYS A 104 -21.443 46.731 42.028 1.00 43.88 C +ATOM 192 NZ LYS A 104 -21.153 47.954 41.211 1.00 47.18 N +ATOM 193 N GLY A 105 -22.817 44.457 47.753 1.00 26.02 N +ATOM 194 CA GLY A 105 -24.160 44.087 48.144 1.00 27.40 C +ATOM 195 C GLY A 105 -24.260 42.840 49.013 1.00 26.98 C +ATOM 196 O GLY A 105 -25.326 42.562 49.550 1.00 26.67 O +ATOM 197 N GLU A 106 -23.172 42.082 49.143 1.00 26.83 N +ATOM 198 CA GLU A 106 -23.197 40.847 49.931 1.00 25.99 C +ATOM 199 C GLU A 106 -23.348 41.168 51.419 1.00 25.17 C +ATOM 200 O GLU A 106 -22.765 42.124 51.907 1.00 23.96 O +ATOM 201 CB GLU A 106 -21.929 40.033 49.669 1.00 26.20 C +ATOM 202 CG GLU A 106 -21.947 38.618 50.249 1.00 27.29 C +ATOM 203 CD GLU A 106 -20.917 37.686 49.621 1.00 28.50 C +ATOM 204 OE1 GLU A 106 -20.460 37.918 48.450 1.00 25.69 O +ATOM 205 OE2 GLU A 106 -20.567 36.680 50.291 1.00 29.91 O +ATOM 206 N ARG A 107 -24.152 40.365 52.131 1.00 22.69 N +ATOM 207 CA ARG A 107 -24.390 40.539 53.547 1.00 21.90 C +ATOM 208 C ARG A 107 -23.498 39.595 54.345 1.00 21.22 C +ATOM 209 O ARG A 107 -23.416 38.390 54.055 1.00 19.98 O +ATOM 210 CB ARG A 107 -25.877 40.306 53.891 1.00 22.17 C +ATOM 211 CG ARG A 107 -26.791 41.267 53.149 1.00 25.49 C +ATOM 212 CD ARG A 107 -28.284 40.970 53.285 1.00 33.44 C +ATOM 213 NE ARG A 107 -28.806 41.408 54.570 1.00 37.52 N +ATOM 214 CZ ARG A 107 -29.174 42.666 54.839 1.00 45.22 C +ATOM 215 NH1 ARG A 107 -29.066 43.631 53.930 1.00 45.68 N +ATOM 216 NH2 ARG A 107 -29.648 42.959 56.042 1.00 48.55 N +ATOM 217 N LEU A 108 -22.822 40.168 55.330 1.00 20.21 N +ATOM 218 CA LEU A 108 -21.806 39.492 56.127 1.00 21.42 C +ATOM 219 C LEU A 108 -22.065 39.698 57.597 1.00 20.92 C +ATOM 220 O LEU A 108 -22.364 40.814 58.008 1.00 22.66 O +ATOM 221 CB LEU A 108 -20.427 40.107 55.826 1.00 21.90 C +ATOM 222 CG LEU A 108 -19.983 40.185 54.360 1.00 24.82 C +ATOM 223 CD1 LEU A 108 -18.660 40.899 54.264 1.00 27.24 C +ATOM 224 CD2 LEU A 108 -19.860 38.794 53.719 1.00 25.02 C +ATOM 225 N GLN A 109 -21.939 38.635 58.394 1.00 21.40 N +ATOM 226 CA GLN A 109 -21.915 38.755 59.849 1.00 21.06 C +ATOM 227 C GLN A 109 -20.501 39.090 60.313 1.00 22.55 C +ATOM 228 O GLN A 109 -19.556 38.384 59.964 1.00 21.36 O +ATOM 229 CB GLN A 109 -22.337 37.454 60.505 1.00 21.97 C +ATOM 230 CG GLN A 109 -23.805 37.122 60.286 1.00 23.51 C +ATOM 231 CD GLN A 109 -24.692 38.189 60.847 1.00 22.85 C +ATOM 232 OE1 GLN A 109 -25.290 38.967 60.090 1.00 23.91 O +ATOM 233 NE2 GLN A 109 -24.768 38.259 62.178 1.00 20.25 N +ATOM 234 N ILE A 110 -20.376 40.146 61.118 1.00 22.14 N +ATOM 235 CA ILE A 110 -19.125 40.496 61.759 1.00 23.33 C +ATOM 236 C ILE A 110 -19.458 40.767 63.222 1.00 24.92 C +ATOM 237 O ILE A 110 -20.078 41.786 63.561 1.00 24.29 O +ATOM 238 CB ILE A 110 -18.499 41.723 61.063 1.00 25.04 C +ATOM 239 CG1 ILE A 110 -18.337 41.437 59.557 1.00 25.99 C +ATOM 240 CG2 ILE A 110 -17.157 42.045 61.712 1.00 25.92 C +ATOM 241 CD1 ILE A 110 -17.929 42.602 58.711 1.00 29.69 C +ATOM 242 N VAL A 111 -19.097 39.831 64.088 1.00 24.35 N +ATOM 243 CA VAL A 111 -19.459 39.936 65.491 1.00 26.11 C +ATOM 244 C VAL A 111 -18.426 40.697 66.337 1.00 27.59 C +ATOM 245 O VAL A 111 -18.747 41.162 67.424 1.00 26.21 O +ATOM 246 CB VAL A 111 -19.781 38.539 66.092 1.00 25.79 C +ATOM 247 CG1 VAL A 111 -20.981 37.955 65.386 1.00 27.56 C +ATOM 248 CG2 VAL A 111 -18.595 37.600 65.999 1.00 26.16 C +ATOM 249 N ASN A 112 -17.199 40.826 65.838 1.00 29.18 N +ATOM 250 CA ASN A 112 -16.184 41.655 66.491 1.00 31.24 C +ATOM 251 C ASN A 112 -15.662 42.676 65.485 1.00 34.24 C +ATOM 252 O ASN A 112 -14.776 42.385 64.679 1.00 32.83 O +ATOM 253 CB ASN A 112 -15.051 40.805 67.051 1.00 30.41 C +ATOM 254 CG ASN A 112 -15.474 40.010 68.263 1.00 30.53 C +ATOM 255 OD1 ASN A 112 -15.691 40.575 69.358 1.00 33.47 O +ATOM 256 ND2 ASN A 112 -15.613 38.698 68.090 1.00 24.83 N +ATOM 257 N ASN A 113 -16.264 43.859 65.519 1.00 36.71 N +ATOM 258 CA ASN A 113 -15.887 44.953 64.629 1.00 40.27 C +ATOM 259 C ASN A 113 -15.207 46.025 65.467 1.00 43.56 C +ATOM 260 O ASN A 113 -15.288 47.214 65.167 1.00 42.88 O +ATOM 261 CB ASN A 113 -17.120 45.512 63.910 1.00 40.70 C +ATOM 262 CG ASN A 113 -18.046 46.284 64.836 1.00 41.87 C +ATOM 263 OD1 ASN A 113 -18.332 45.853 65.951 1.00 41.16 O +ATOM 264 ND2 ASN A 113 -18.515 47.435 64.375 1.00 45.05 N +ATOM 265 N THR A 114 -14.545 45.560 66.524 1.00 47.70 N +ATOM 266 CA THR A 114 -14.005 46.409 67.573 1.00 50.70 C +ATOM 267 C THR A 114 -12.993 47.299 66.887 1.00 51.51 C +ATOM 268 O THR A 114 -13.135 48.518 66.890 1.00 53.64 O +ATOM 269 CB THR A 114 -13.355 45.547 68.702 1.00 51.26 C +ATOM 270 OG1 THR A 114 -14.229 44.461 69.068 1.00 54.18 O +ATOM 271 CG2 THR A 114 -13.213 46.337 69.970 1.00 51.54 C +ATOM 272 N GLU A 115 -12.003 46.682 66.251 1.00 51.70 N +ATOM 273 CA GLU A 115 -11.151 47.402 65.316 1.00 51.42 C +ATOM 274 C GLU A 115 -10.083 46.510 64.665 1.00 50.05 C +ATOM 275 O GLU A 115 -10.279 45.291 64.489 1.00 50.83 O +ATOM 276 CB GLU A 115 -10.506 48.640 65.973 1.00 51.68 C +ATOM 277 CG GLU A 115 -10.341 49.817 65.019 1.00 52.64 C +ATOM 278 N GLY A 116 -8.950 47.137 64.341 1.00 46.58 N +ATOM 279 CA GLY A 116 -8.072 46.670 63.298 1.00 43.38 C +ATOM 280 C GLY A 116 -8.641 47.169 61.980 1.00 39.79 C +ATOM 281 O GLY A 116 -9.746 47.719 61.905 1.00 40.56 O +ATOM 282 N ASP A 117 -7.874 46.975 60.927 1.00 34.56 N +ATOM 283 CA ASP A 117 -8.334 47.276 59.595 1.00 32.37 C +ATOM 284 C ASP A 117 -8.889 46.034 58.899 1.00 28.47 C +ATOM 285 O ASP A 117 -9.373 46.143 57.773 1.00 27.65 O +ATOM 286 CB ASP A 117 -7.186 47.836 58.794 1.00 32.83 C +ATOM 287 CG ASP A 117 -6.700 49.173 59.341 1.00 34.81 C +ATOM 288 OD1 ASP A 117 -7.513 50.105 59.488 1.00 36.89 O +ATOM 289 OD2 ASP A 117 -5.523 49.354 59.647 1.00 36.64 O +ATOM 290 N TRP A 118 -8.785 44.868 59.550 1.00 25.08 N +ATOM 291 CA TRP A 118 -9.238 43.595 58.964 1.00 22.88 C +ATOM 292 C TRP A 118 -10.118 42.895 59.980 1.00 23.71 C +ATOM 293 O TRP A 118 -9.711 42.733 61.125 1.00 23.52 O +ATOM 294 CB TRP A 118 -8.040 42.725 58.569 1.00 23.94 C +ATOM 295 CG TRP A 118 -7.371 43.274 57.354 1.00 23.48 C +ATOM 296 CD1 TRP A 118 -6.412 44.257 57.305 1.00 24.58 C +ATOM 297 CD2 TRP A 118 -7.654 42.923 56.002 1.00 23.75 C +ATOM 298 NE1 TRP A 118 -6.081 44.521 55.994 1.00 23.17 N +ATOM 299 CE2 TRP A 118 -6.832 43.723 55.174 1.00 22.75 C +ATOM 300 CE3 TRP A 118 -8.526 42.008 55.397 1.00 22.95 C +ATOM 301 CZ2 TRP A 118 -6.856 43.630 53.784 1.00 22.84 C +ATOM 302 CZ3 TRP A 118 -8.546 41.917 54.021 1.00 24.35 C +ATOM 303 CH2 TRP A 118 -7.730 42.740 53.229 1.00 25.66 C +ATOM 304 N TRP A 119 -11.331 42.526 59.567 1.00 21.87 N +ATOM 305 CA TRP A 119 -12.336 41.958 60.462 1.00 20.38 C +ATOM 306 C TRP A 119 -12.693 40.541 60.040 1.00 19.77 C +ATOM 307 O TRP A 119 -12.741 40.248 58.853 1.00 19.89 O +ATOM 308 CB TRP A 119 -13.618 42.786 60.410 1.00 20.61 C +ATOM 309 CG TRP A 119 -13.535 44.126 61.041 1.00 20.34 C +ATOM 310 CD1 TRP A 119 -12.575 44.579 61.910 1.00 25.15 C +ATOM 311 CD2 TRP A 119 -14.471 45.201 60.892 1.00 22.99 C +ATOM 312 NE1 TRP A 119 -12.862 45.863 62.301 1.00 26.33 N +ATOM 313 CE2 TRP A 119 -14.017 46.272 61.697 1.00 25.66 C +ATOM 314 CE3 TRP A 119 -15.654 45.368 60.165 1.00 25.35 C +ATOM 315 CZ2 TRP A 119 -14.691 47.496 61.779 1.00 29.45 C +ATOM 316 CZ3 TRP A 119 -16.330 46.582 60.250 1.00 27.73 C +ATOM 317 CH2 TRP A 119 -15.847 47.629 61.053 1.00 28.44 C +ATOM 318 N LEU A 120 -12.974 39.679 61.013 1.00 19.39 N +ATOM 319 CA LEU A 120 -13.423 38.313 60.729 1.00 20.64 C +ATOM 320 C LEU A 120 -14.901 38.363 60.367 1.00 19.99 C +ATOM 321 O LEU A 120 -15.704 38.901 61.126 1.00 19.49 O +ATOM 322 CB LEU A 120 -13.211 37.431 61.963 1.00 20.71 C +ATOM 323 CG LEU A 120 -13.632 35.966 61.824 1.00 24.93 C +ATOM 324 CD1 LEU A 120 -12.732 35.277 60.827 1.00 24.20 C +ATOM 325 CD2 LEU A 120 -13.618 35.276 63.172 1.00 26.96 C +ATOM 326 N ALA A 121 -15.244 37.844 59.194 1.00 21.14 N +ATOM 327 CA ALA A 121 -16.603 37.909 58.660 1.00 19.86 C +ATOM 328 C ALA A 121 -17.070 36.535 58.238 1.00 20.37 C +ATOM 329 O ALA A 121 -16.264 35.643 57.930 1.00 19.45 O +ATOM 330 CB ALA A 121 -16.678 38.852 57.464 1.00 19.55 C +ATOM 331 N HIS A 122 -18.385 36.378 58.204 1.00 19.15 N +ATOM 332 CA HIS A 122 -18.999 35.144 57.755 1.00 19.25 C +ATOM 333 C HIS A 122 -20.142 35.502 56.798 1.00 19.62 C +ATOM 334 O HIS A 122 -21.046 36.264 57.157 1.00 20.34 O +ATOM 335 CB HIS A 122 -19.526 34.356 58.939 1.00 19.95 C +ATOM 336 CG HIS A 122 -20.150 33.054 58.561 1.00 20.59 C +ATOM 337 ND1 HIS A 122 -19.424 31.891 58.436 1.00 20.97 N +ATOM 338 CD2 HIS A 122 -21.434 32.733 58.283 1.00 20.30 C +ATOM 339 CE1 HIS A 122 -20.246 30.898 58.140 1.00 21.89 C +ATOM 340 NE2 HIS A 122 -21.466 31.387 58.017 1.00 18.66 N +ATOM 341 N SER A 123 -20.105 34.972 55.589 1.00 19.68 N +ATOM 342 CA SER A 123 -21.068 35.389 54.550 1.00 20.26 C +ATOM 343 C SER A 123 -22.439 34.714 54.703 1.00 19.49 C +ATOM 344 O SER A 123 -22.529 33.495 54.832 1.00 19.16 O +ATOM 345 CB SER A 123 -20.549 35.046 53.167 1.00 20.17 C +ATOM 346 OG SER A 123 -21.537 35.339 52.157 1.00 20.93 O +ATOM 347 N LEU A 124 -23.496 35.511 54.605 1.00 20.05 N +ATOM 348 CA LEU A 124 -24.862 34.986 54.642 1.00 20.28 C +ATOM 349 C LEU A 124 -25.310 34.493 53.268 1.00 21.48 C +ATOM 350 O LEU A 124 -26.407 33.963 53.141 1.00 21.84 O +ATOM 351 CB LEU A 124 -25.825 36.046 55.161 1.00 21.20 C +ATOM 352 CG LEU A 124 -25.626 36.452 56.623 1.00 23.52 C +ATOM 353 CD1 LEU A 124 -26.575 37.595 56.995 1.00 25.74 C +ATOM 354 CD2 LEU A 124 -25.814 35.266 57.556 1.00 23.74 C +ATOM 355 N SER A 125 -24.487 34.713 52.237 1.00 22.48 N +ATOM 356 CA SER A 125 -24.702 34.143 50.897 1.00 24.51 C +ATOM 357 C SER A 125 -24.020 32.785 50.711 1.00 24.11 C +ATOM 358 O SER A 125 -24.628 31.819 50.226 1.00 23.45 O +ATOM 359 CB SER A 125 -24.127 35.081 49.820 1.00 25.59 C +ATOM 360 OG SER A 125 -24.880 36.265 49.732 1.00 33.81 O +ATOM 361 N THR A 126 -22.723 32.730 51.021 1.00 21.52 N +ATOM 362 CA THR A 126 -21.914 31.552 50.707 1.00 21.78 C +ATOM 363 C THR A 126 -21.612 30.656 51.898 1.00 22.24 C +ATOM 364 O THR A 126 -21.173 29.518 51.713 1.00 21.69 O +ATOM 365 CB THR A 126 -20.582 31.971 50.089 1.00 22.84 C +ATOM 366 OG1 THR A 126 -19.793 32.635 51.083 1.00 21.93 O +ATOM 367 CG2 THR A 126 -20.795 32.992 48.962 1.00 24.85 C +ATOM 368 N GLY A 127 -21.818 31.158 53.114 1.00 20.32 N +ATOM 369 CA GLY A 127 -21.452 30.406 54.311 1.00 20.74 C +ATOM 370 C GLY A 127 -19.934 30.324 54.545 1.00 20.35 C +ATOM 371 O GLY A 127 -19.477 29.550 55.398 1.00 19.39 O +ATOM 372 N GLN A 128 -19.152 31.083 53.777 1.00 19.63 N +ATOM 373 CA GLN A 128 -17.695 31.112 53.946 1.00 20.33 C +ATOM 374 C GLN A 128 -17.273 32.078 55.044 1.00 20.29 C +ATOM 375 O GLN A 128 -17.903 33.117 55.250 1.00 19.72 O +ATOM 376 CB GLN A 128 -16.995 31.506 52.635 1.00 21.94 C +ATOM 377 CG GLN A 128 -17.198 30.497 51.486 1.00 23.94 C +ATOM 378 CD GLN A 128 -16.803 31.055 50.101 1.00 28.69 C +ATOM 379 OE1 GLN A 128 -16.194 32.116 49.990 1.00 34.21 O +ATOM 380 NE2 GLN A 128 -17.140 30.326 49.066 1.00 29.80 N +ATOM 381 N THR A 129 -16.185 31.740 55.716 1.00 20.05 N +ATOM 382 CA THR A 129 -15.588 32.563 56.765 1.00 20.49 C +ATOM 383 C THR A 129 -14.229 33.095 56.289 1.00 21.15 C +ATOM 384 O THR A 129 -13.438 32.366 55.677 1.00 22.06 O +ATOM 385 CB THR A 129 -15.372 31.712 58.017 1.00 21.11 C +ATOM 386 OG1 THR A 129 -16.637 31.289 58.573 1.00 21.67 O +ATOM 387 CG2 THR A 129 -14.716 32.510 59.126 1.00 22.50 C +ATOM 388 N GLY A 130 -13.922 34.336 56.626 1.00 20.70 N +ATOM 389 CA GLY A 130 -12.581 34.856 56.411 1.00 20.98 C +ATOM 390 C GLY A 130 -12.482 36.321 56.740 1.00 20.06 C +ATOM 391 O GLY A 130 -13.463 36.943 57.136 1.00 20.16 O +ATOM 392 N TYR A 131 -11.290 36.875 56.564 1.00 19.79 N +ATOM 393 CA TYR A 131 -11.011 38.264 56.902 1.00 20.43 C +ATOM 394 C TYR A 131 -11.338 39.214 55.748 1.00 19.71 C +ATOM 395 O TYR A 131 -11.149 38.880 54.586 1.00 21.97 O +ATOM 396 CB TYR A 131 -9.537 38.422 57.384 1.00 21.08 C +ATOM 397 CG TYR A 131 -9.404 37.905 58.785 1.00 21.73 C +ATOM 398 CD1 TYR A 131 -9.182 36.548 59.024 1.00 21.01 C +ATOM 399 CD2 TYR A 131 -9.586 38.755 59.879 1.00 20.32 C +ATOM 400 CE1 TYR A 131 -9.102 36.052 60.330 1.00 22.84 C +ATOM 401 CE2 TYR A 131 -9.507 38.274 61.184 1.00 24.36 C +ATOM 402 CZ TYR A 131 -9.278 36.920 61.399 1.00 21.76 C +ATOM 403 OH TYR A 131 -9.205 36.432 62.682 1.00 23.51 O +ATOM 404 N ILE A 132 -11.870 40.381 56.091 1.00 19.76 N +ATOM 405 CA ILE A 132 -12.291 41.368 55.130 1.00 20.86 C +ATOM 406 C ILE A 132 -11.736 42.732 55.510 1.00 21.48 C +ATOM 407 O ILE A 132 -11.491 43.002 56.686 1.00 21.34 O +ATOM 408 CB ILE A 132 -13.857 41.437 55.010 1.00 21.66 C +ATOM 409 CG1 ILE A 132 -14.533 41.890 56.314 1.00 22.32 C +ATOM 410 CG2 ILE A 132 -14.438 40.106 54.565 1.00 22.04 C +ATOM 411 CD1 ILE A 132 -14.832 43.344 56.409 1.00 29.07 C +ATOM 412 N PRO A 133 -11.536 43.606 54.525 1.00 20.98 N +ATOM 413 CA PRO A 133 -11.088 44.967 54.827 1.00 22.69 C +ATOM 414 C PRO A 133 -12.236 45.801 55.396 1.00 22.73 C +ATOM 415 O PRO A 133 -13.285 45.878 54.762 1.00 22.67 O +ATOM 416 CB PRO A 133 -10.595 45.501 53.481 1.00 22.21 C +ATOM 417 CG PRO A 133 -11.229 44.617 52.412 1.00 22.48 C +ATOM 418 CD PRO A 133 -11.709 43.363 53.078 1.00 21.80 C +ATOM 419 N SER A 134 -12.046 46.419 56.563 1.00 24.00 N +ATOM 420 CA SER A 134 -13.175 47.018 57.287 1.00 24.95 C +ATOM 421 C SER A 134 -13.754 48.235 56.558 1.00 26.59 C +ATOM 422 O SER A 134 -14.937 48.564 56.726 1.00 26.08 O +ATOM 423 CB SER A 134 -12.790 47.399 58.721 1.00 26.26 C +ATOM 424 OG SER A 134 -11.771 48.369 58.738 1.00 24.74 O +ATOM 425 N ASN A 135 -12.944 48.877 55.721 1.00 24.92 N +ATOM 426 CA ASN A 135 -13.431 50.024 54.957 1.00 26.53 C +ATOM 427 C ASN A 135 -14.281 49.642 53.728 1.00 26.31 C +ATOM 428 O ASN A 135 -14.774 50.526 53.017 1.00 27.32 O +ATOM 429 CB ASN A 135 -12.278 50.979 54.584 1.00 27.39 C +ATOM 430 CG ASN A 135 -11.231 50.340 53.676 1.00 29.42 C +ATOM 431 OD1 ASN A 135 -10.879 49.159 53.820 1.00 27.79 O +ATOM 432 ND2 ASN A 135 -10.686 51.145 52.764 1.00 29.33 N +ATOM 433 N TYR A 136 -14.485 48.344 53.493 1.00 23.76 N +ATOM 434 CA TYR A 136 -15.280 47.870 52.354 1.00 23.64 C +ATOM 435 C TYR A 136 -16.722 47.541 52.732 1.00 23.71 C +ATOM 436 O TYR A 136 -17.488 47.100 51.880 1.00 24.18 O +ATOM 437 CB TYR A 136 -14.643 46.611 51.718 1.00 23.49 C +ATOM 438 CG TYR A 136 -13.522 46.880 50.729 1.00 23.01 C +ATOM 439 CD1 TYR A 136 -12.526 47.821 50.991 1.00 22.40 C +ATOM 440 CD2 TYR A 136 -13.447 46.161 49.541 1.00 23.55 C +ATOM 441 CE1 TYR A 136 -11.484 48.047 50.066 1.00 24.58 C +ATOM 442 CE2 TYR A 136 -12.415 46.377 48.635 1.00 24.10 C +ATOM 443 CZ TYR A 136 -11.449 47.313 48.902 1.00 25.03 C +ATOM 444 OH TYR A 136 -10.453 47.517 47.979 1.00 27.18 O +ATOM 445 N VAL A 137 -17.097 47.726 53.992 1.00 24.55 N +ATOM 446 CA VAL A 137 -18.452 47.404 54.427 1.00 24.35 C +ATOM 447 C VAL A 137 -19.117 48.550 55.176 1.00 24.67 C +ATOM 448 O VAL A 137 -18.446 49.444 55.694 1.00 24.14 O +ATOM 449 CB VAL A 137 -18.481 46.135 55.309 1.00 24.72 C +ATOM 450 CG1 VAL A 137 -17.958 44.928 54.534 1.00 25.52 C +ATOM 451 CG2 VAL A 137 -17.675 46.340 56.583 1.00 23.78 C +ATOM 452 N ALA A 138 -20.445 48.503 55.226 1.00 23.80 N +ATOM 453 CA ALA A 138 -21.251 49.444 55.983 1.00 24.59 C +ATOM 454 C ALA A 138 -22.256 48.670 56.838 1.00 24.73 C +ATOM 455 O ALA A 138 -22.681 47.589 56.449 1.00 23.91 O +ATOM 456 CB ALA A 138 -21.995 50.383 55.028 1.00 24.77 C +ATOM 457 N PRO A 139 -22.675 49.214 57.978 1.00 26.31 N +ATOM 458 CA PRO A 139 -23.716 48.551 58.780 1.00 26.17 C +ATOM 459 C PRO A 139 -25.024 48.369 57.988 1.00 26.79 C +ATOM 460 O PRO A 139 -25.444 49.287 57.278 1.00 24.87 O +ATOM 461 CB PRO A 139 -23.930 49.507 59.957 1.00 28.04 C +ATOM 462 CG PRO A 139 -22.739 50.420 59.978 1.00 28.22 C +ATOM 463 CD PRO A 139 -22.208 50.477 58.586 1.00 27.53 C +ATOM 464 N SER A 140 -25.670 47.211 58.115 1.00 27.89 N +ATOM 465 CA SER A 140 -26.859 46.903 57.322 1.00 30.38 C +ATOM 466 C SER A 140 -28.058 47.806 57.637 1.00 32.58 C +ATOM 467 O SER A 140 -28.991 47.879 56.856 1.00 32.86 O +ATOM 468 CB SER A 140 -27.294 45.454 57.535 1.00 31.73 C +ATOM 469 OG SER A 140 -27.719 45.250 58.868 1.00 30.95 O +ATOM 470 N ASP A 141 -28.052 48.461 58.786 1.00 35.27 N +ATOM 471 CA ASP A 141 -29.150 49.377 59.127 1.00 40.53 C +ATOM 472 C ASP A 141 -29.081 50.659 58.302 1.00 40.98 C +ATOM 473 O ASP A 141 -30.101 51.129 57.789 1.00 44.28 O +ATOM 474 CB ASP A 141 -29.144 49.692 60.633 1.00 41.64 C +ATOM 475 CG ASP A 141 -29.636 48.520 61.468 1.00 46.58 C +ATOM 476 OD1 ASP A 141 -30.413 47.704 60.925 1.00 53.83 O +ATOM 477 OD2 ASP A 141 -29.304 48.310 62.659 1.00 53.38 O +ATOM 478 N SER A 142 -27.862 51.164 58.127 1.00 40.46 N +ATOM 479 CA SER A 142 -27.608 52.491 57.566 1.00 39.00 C +ATOM 480 C SER A 142 -27.939 52.698 56.076 1.00 37.51 C +ATOM 481 O SER A 142 -27.759 51.801 55.237 1.00 36.78 O +ATOM 482 CB SER A 142 -26.135 52.816 57.770 1.00 40.01 C +ATOM 483 OG SER A 142 -25.345 52.030 56.893 1.00 43.02 O +ATOM 484 N ILE A 143 -28.359 53.923 55.748 1.00 33.41 N +ATOM 485 CA ILE A 143 -28.544 54.341 54.357 1.00 31.81 C +ATOM 486 C ILE A 143 -27.245 54.181 53.555 1.00 29.65 C +ATOM 487 O ILE A 143 -27.290 53.998 52.345 1.00 29.49 O +ATOM 488 CB ILE A 143 -29.081 55.815 54.295 1.00 31.74 C +ATOM 489 CG1 ILE A 143 -29.564 56.182 52.886 1.00 32.28 C +ATOM 490 CG2 ILE A 143 -28.016 56.800 54.767 1.00 31.44 C +ATOM 491 CD1 ILE A 143 -30.767 55.406 52.405 1.00 33.52 C +ATOM 492 N GLN A 144 -26.109 54.226 54.248 1.00 28.56 N +ATOM 493 CA GLN A 144 -24.780 54.057 53.664 1.00 30.40 C +ATOM 494 C GLN A 144 -24.563 52.669 53.014 1.00 29.39 C +ATOM 495 O GLN A 144 -23.693 52.513 52.161 1.00 28.89 O +ATOM 496 CB GLN A 144 -23.696 54.281 54.731 1.00 31.80 C +ATOM 497 CG GLN A 144 -23.477 55.745 55.152 1.00 36.38 C +ATOM 498 CD GLN A 144 -24.618 56.343 55.973 1.00 41.42 C +ATOM 499 OE1 GLN A 144 -25.302 55.637 56.721 1.00 46.45 O +ATOM 500 NE2 GLN A 144 -24.817 57.660 55.842 1.00 46.08 N +ATOM 501 N ALA A 145 -25.350 51.679 53.438 1.00 29.34 N +ATOM 502 CA ALA A 145 -25.358 50.347 52.834 1.00 30.41 C +ATOM 503 C ALA A 145 -25.884 50.316 51.389 1.00 30.67 C +ATOM 504 O ALA A 145 -25.602 49.369 50.659 1.00 29.91 O +ATOM 505 CB ALA A 145 -26.172 49.399 53.684 1.00 29.89 C +ATOM 506 N GLU A 146 -26.643 51.333 50.976 1.00 29.37 N +ATOM 507 CA GLU A 146 -27.147 51.404 49.600 1.00 29.83 C +ATOM 508 C GLU A 146 -26.061 51.875 48.642 1.00 29.04 C +ATOM 509 O GLU A 146 -25.405 52.890 48.905 1.00 28.65 O +ATOM 510 CB GLU A 146 -28.352 52.352 49.523 1.00 30.98 C +ATOM 511 CG GLU A 146 -29.525 51.928 50.373 1.00 32.24 C +ATOM 512 CD GLU A 146 -30.136 50.605 49.926 1.00 38.15 C +ATOM 513 OE1 GLU A 146 -29.773 50.099 48.834 1.00 40.04 O +ATOM 514 OE2 GLU A 146 -30.974 50.066 50.675 1.00 39.49 O +ATOM 515 N GLU A 147 -25.869 51.158 47.526 1.00 29.18 N +ATOM 516 CA GLU A 147 -24.791 51.484 46.586 1.00 29.38 C +ATOM 517 C GLU A 147 -25.006 52.849 45.942 1.00 27.70 C +ATOM 518 O GLU A 147 -24.055 53.568 45.657 1.00 27.78 O +ATOM 519 CB GLU A 147 -24.634 50.424 45.483 1.00 30.18 C +ATOM 520 CG GLU A 147 -23.291 50.577 44.757 1.00 33.74 C +ATOM 521 CD GLU A 147 -23.205 49.906 43.384 1.00 38.20 C +ATOM 522 OE1 GLU A 147 -24.143 49.172 42.987 1.00 38.83 O +ATOM 523 OE2 GLU A 147 -22.163 50.115 42.705 1.00 39.99 O +ATOM 524 N TRP A 148 -26.266 53.203 45.738 1.00 27.93 N +ATOM 525 CA TRP A 148 -26.607 54.473 45.089 1.00 27.40 C +ATOM 526 C TRP A 148 -26.598 55.669 46.037 1.00 27.75 C +ATOM 527 O TRP A 148 -26.810 56.816 45.595 1.00 26.44 O +ATOM 528 CB TRP A 148 -27.940 54.345 44.345 1.00 27.69 C +ATOM 529 CG TRP A 148 -29.017 53.589 45.092 1.00 28.76 C +ATOM 530 CD1 TRP A 148 -29.456 52.309 44.844 1.00 31.51 C +ATOM 531 CD2 TRP A 148 -29.778 54.061 46.200 1.00 29.99 C +ATOM 532 NE1 TRP A 148 -30.456 51.972 45.727 1.00 28.89 N +ATOM 533 CE2 TRP A 148 -30.671 53.025 46.574 1.00 31.29 C +ATOM 534 CE3 TRP A 148 -29.803 55.259 46.923 1.00 30.66 C +ATOM 535 CZ2 TRP A 148 -31.566 53.156 47.635 1.00 32.57 C +ATOM 536 CZ3 TRP A 148 -30.699 55.390 47.970 1.00 33.31 C +ATOM 537 CH2 TRP A 148 -31.565 54.343 48.317 1.00 33.11 C +ATOM 538 N TYR A 149 -26.341 55.444 47.331 1.00 27.43 N +ATOM 539 CA TYR A 149 -26.320 56.562 48.281 1.00 28.01 C +ATOM 540 C TYR A 149 -24.922 57.157 48.415 1.00 28.45 C +ATOM 541 O TYR A 149 -23.993 56.474 48.851 1.00 28.44 O +ATOM 542 CB TYR A 149 -26.864 56.177 49.658 1.00 28.51 C +ATOM 543 CG TYR A 149 -27.007 57.385 50.542 1.00 27.56 C +ATOM 544 CD1 TYR A 149 -28.033 58.304 50.327 1.00 31.69 C +ATOM 545 CD2 TYR A 149 -26.092 57.655 51.553 1.00 29.49 C +ATOM 546 CE1 TYR A 149 -28.165 59.443 51.112 1.00 31.58 C +ATOM 547 CE2 TYR A 149 -26.224 58.802 52.352 1.00 31.02 C +ATOM 548 CZ TYR A 149 -27.262 59.683 52.121 1.00 32.24 C +ATOM 549 OH TYR A 149 -27.409 60.823 52.887 1.00 37.98 O +ATOM 550 N PHE A 150 -24.775 58.427 48.019 1.00 27.77 N +ATOM 551 CA PHE A 150 -23.474 59.092 48.016 1.00 28.28 C +ATOM 552 C PHE A 150 -23.323 60.160 49.112 1.00 29.58 C +ATOM 553 O PHE A 150 -22.279 60.791 49.212 1.00 31.06 O +ATOM 554 CB PHE A 150 -23.204 59.711 46.623 1.00 27.55 C +ATOM 555 CG PHE A 150 -22.690 58.730 45.613 1.00 27.36 C +ATOM 556 CD1 PHE A 150 -23.466 57.645 45.211 1.00 28.60 C +ATOM 557 CD2 PHE A 150 -21.410 58.873 45.072 1.00 28.52 C +ATOM 558 CE1 PHE A 150 -22.986 56.737 44.274 1.00 28.20 C +ATOM 559 CE2 PHE A 150 -20.928 57.975 44.136 1.00 29.42 C +ATOM 560 CZ PHE A 150 -21.721 56.905 43.730 1.00 28.99 C +ATOM 561 N GLY A 151 -24.350 60.366 49.929 1.00 30.64 N +ATOM 562 CA GLY A 151 -24.208 61.190 51.122 1.00 30.92 C +ATOM 563 C GLY A 151 -24.030 62.667 50.827 1.00 31.28 C +ATOM 564 O GLY A 151 -24.764 63.227 50.018 1.00 30.13 O +ATOM 565 N LYS A 152 -23.057 63.290 51.487 1.00 31.43 N +ATOM 566 CA LYS A 152 -22.840 64.723 51.378 1.00 34.08 C +ATOM 567 C LYS A 152 -21.811 64.983 50.282 1.00 33.66 C +ATOM 568 O LYS A 152 -20.606 65.030 50.533 1.00 35.88 O +ATOM 569 CB LYS A 152 -22.378 65.310 52.719 1.00 35.92 C +ATOM 570 CG LYS A 152 -22.433 66.839 52.769 1.00 40.40 C +ATOM 571 CD LYS A 152 -21.956 67.374 54.125 1.00 45.34 C +ATOM 572 CE LYS A 152 -21.630 68.865 54.067 1.00 48.25 C +ATOM 573 NZ LYS A 152 -20.612 69.227 55.090 1.00 50.65 N +ATOM 574 N ILE A 153 -22.295 65.067 49.050 1.00 31.86 N +ATOM 575 CA ILE A 153 -21.478 65.527 47.933 1.00 30.25 C +ATOM 576 C ILE A 153 -22.227 66.708 47.310 1.00 29.24 C +ATOM 577 O ILE A 153 -23.465 66.766 47.374 1.00 27.62 O +ATOM 578 CB ILE A 153 -21.202 64.403 46.911 1.00 30.70 C +ATOM 579 CG1 ILE A 153 -22.499 63.721 46.433 1.00 31.56 C +ATOM 580 CG2 ILE A 153 -20.240 63.370 47.508 1.00 31.82 C +ATOM 581 CD1 ILE A 153 -22.331 62.996 45.111 1.00 36.39 C +ATOM 582 N THR A 154 -21.493 67.654 46.734 1.00 28.74 N +ATOM 583 CA THR A 154 -22.134 68.827 46.137 1.00 28.42 C +ATOM 584 C THR A 154 -22.866 68.463 44.844 1.00 27.92 C +ATOM 585 O THR A 154 -22.616 67.420 44.228 1.00 26.68 O +ATOM 586 CB THR A 154 -21.135 69.949 45.845 1.00 29.09 C +ATOM 587 OG1 THR A 154 -20.218 69.532 44.828 1.00 28.72 O +ATOM 588 CG2 THR A 154 -20.257 70.298 47.088 1.00 31.35 C +ATOM 589 N ARG A 155 -23.760 69.352 44.421 1.00 26.35 N +ATOM 590 CA ARG A 155 -24.385 69.243 43.108 1.00 26.56 C +ATOM 591 C ARG A 155 -23.318 69.121 42.006 1.00 25.29 C +ATOM 592 O ARG A 155 -23.412 68.230 41.160 1.00 25.87 O +ATOM 593 CB ARG A 155 -25.326 70.432 42.841 1.00 25.67 C +ATOM 594 CG ARG A 155 -25.949 70.437 41.447 1.00 28.90 C +ATOM 595 CD ARG A 155 -26.806 71.667 41.140 1.00 31.15 C +ATOM 596 NE ARG A 155 -28.081 71.525 41.812 1.00 33.81 N +ATOM 597 CZ ARG A 155 -29.287 71.628 41.255 1.00 34.34 C +ATOM 598 NH1 ARG A 155 -29.449 71.948 39.979 1.00 32.94 N +ATOM 599 NH2 ARG A 155 -30.356 71.422 42.009 1.00 34.90 N +ATOM 600 N ARG A 156 -22.294 69.975 42.023 1.00 25.81 N +ATOM 601 CA ARG A 156 -21.292 69.966 40.948 1.00 25.92 C +ATOM 602 C ARG A 156 -20.412 68.704 40.973 1.00 26.30 C +ATOM 603 O ARG A 156 -20.023 68.184 39.924 1.00 24.36 O +ATOM 604 CB ARG A 156 -20.436 71.234 40.976 1.00 25.68 C +ATOM 605 CG ARG A 156 -21.232 72.500 40.590 1.00 25.75 C +ATOM 606 CD ARG A 156 -21.764 72.507 39.165 1.00 27.07 C +ATOM 607 NE ARG A 156 -22.518 73.740 38.898 1.00 25.63 N +ATOM 608 CZ ARG A 156 -23.807 73.802 38.591 1.00 24.99 C +ATOM 609 NH1 ARG A 156 -24.541 72.712 38.465 1.00 24.72 N +ATOM 610 NH2 ARG A 156 -24.374 74.996 38.419 1.00 24.67 N +ATOM 611 N GLU A 157 -20.131 68.181 42.161 1.00 26.66 N +ATOM 612 CA GLU A 157 -19.357 66.939 42.247 1.00 26.45 C +ATOM 613 C GLU A 157 -20.181 65.728 41.789 1.00 25.89 C +ATOM 614 O GLU A 157 -19.636 64.843 41.141 1.00 25.86 O +ATOM 615 CB GLU A 157 -18.787 66.728 43.650 1.00 28.04 C +ATOM 616 CG GLU A 157 -18.198 65.350 43.919 1.00 30.96 C +ATOM 617 CD GLU A 157 -16.894 65.082 43.187 1.00 36.03 C +ATOM 618 OE1 GLU A 157 -16.392 65.959 42.434 1.00 34.47 O +ATOM 619 OE2 GLU A 157 -16.353 63.967 43.367 1.00 38.43 O +ATOM 620 N SER A 158 -21.482 65.710 42.068 1.00 24.39 N +ATOM 621 CA SER A 158 -22.347 64.642 41.559 1.00 25.40 C +ATOM 622 C SER A 158 -22.365 64.618 40.022 1.00 26.01 C +ATOM 623 O SER A 158 -22.363 63.539 39.410 1.00 24.90 O +ATOM 624 CB SER A 158 -23.770 64.731 42.139 1.00 25.95 C +ATOM 625 OG SER A 158 -24.606 65.665 41.462 1.00 28.93 O +ATOM 626 N GLU A 159 -22.332 65.809 39.416 1.00 24.04 N +ATOM 627 CA GLU A 159 -22.301 65.942 37.965 1.00 24.62 C +ATOM 628 C GLU A 159 -21.028 65.372 37.377 1.00 25.27 C +ATOM 629 O GLU A 159 -21.069 64.616 36.402 1.00 25.06 O +ATOM 630 CB GLU A 159 -22.517 67.405 37.544 1.00 24.78 C +ATOM 631 CG GLU A 159 -23.894 67.908 37.933 1.00 23.92 C +ATOM 632 CD GLU A 159 -24.172 69.385 37.631 1.00 28.79 C +ATOM 633 OE1 GLU A 159 -23.234 70.196 37.430 1.00 27.76 O +ATOM 634 OE2 GLU A 159 -25.371 69.731 37.597 1.00 29.41 O +ATOM 635 N ARG A 160 -19.888 65.737 37.954 1.00 25.42 N +ATOM 636 CA ARG A 160 -18.611 65.201 37.514 1.00 25.08 C +ATOM 637 C ARG A 160 -18.636 63.656 37.497 1.00 25.79 C +ATOM 638 O ARG A 160 -18.179 63.024 36.527 1.00 25.06 O +ATOM 639 CB ARG A 160 -17.487 65.724 38.417 1.00 26.64 C +ATOM 640 CG ARG A 160 -16.061 65.422 37.917 1.00 27.74 C +ATOM 641 CD ARG A 160 -14.971 65.707 38.936 1.00 30.85 C +ATOM 642 NE ARG A 160 -15.057 64.799 40.078 1.00 31.06 N +ATOM 643 CZ ARG A 160 -14.498 63.585 40.135 1.00 34.48 C +ATOM 644 NH1 ARG A 160 -13.803 63.108 39.120 1.00 33.29 N +ATOM 645 NH2 ARG A 160 -14.654 62.832 41.219 1.00 34.13 N +ATOM 646 N LEU A 161 -19.177 63.049 38.546 1.00 24.35 N +ATOM 647 CA LEU A 161 -19.220 61.582 38.658 1.00 25.53 C +ATOM 648 C LEU A 161 -20.199 60.960 37.651 1.00 25.09 C +ATOM 649 O LEU A 161 -19.903 59.947 37.001 1.00 26.59 O +ATOM 650 CB LEU A 161 -19.646 61.169 40.067 1.00 26.34 C +ATOM 651 CG LEU A 161 -18.688 61.444 41.225 1.00 27.64 C +ATOM 652 CD1 LEU A 161 -19.428 61.269 42.570 1.00 29.59 C +ATOM 653 CD2 LEU A 161 -17.494 60.557 41.154 1.00 33.15 C +ATOM 654 N LEU A 162 -21.355 61.586 37.500 1.00 23.39 N +ATOM 655 CA LEU A 162 -22.385 61.056 36.630 1.00 24.22 C +ATOM 656 C LEU A 162 -22.058 61.201 35.137 1.00 25.43 C +ATOM 657 O LEU A 162 -22.552 60.425 34.324 1.00 26.30 O +ATOM 658 CB LEU A 162 -23.706 61.730 36.931 1.00 23.43 C +ATOM 659 CG LEU A 162 -24.278 61.266 38.274 1.00 23.32 C +ATOM 660 CD1 LEU A 162 -25.319 62.238 38.764 1.00 26.00 C +ATOM 661 CD2 LEU A 162 -24.853 59.863 38.173 1.00 24.47 C +ATOM 662 N LEU A 163 -21.226 62.186 34.793 1.00 25.03 N +ATOM 663 CA LEU A 163 -20.833 62.455 33.400 1.00 25.13 C +ATOM 664 C LEU A 163 -19.681 61.577 32.871 1.00 23.78 C +ATOM 665 O LEU A 163 -19.157 61.804 31.785 1.00 23.13 O +ATOM 666 CB LEU A 163 -20.503 63.938 33.250 1.00 26.27 C +ATOM 667 CG LEU A 163 -21.744 64.834 33.362 1.00 28.46 C +ATOM 668 CD1 LEU A 163 -21.342 66.280 33.410 1.00 34.79 C +ATOM 669 CD2 LEU A 163 -22.703 64.605 32.226 1.00 33.23 C +ATOM 670 N ASN A 164 -19.301 60.565 33.622 1.00 23.45 N +ATOM 671 CA ASN A 164 -18.365 59.554 33.142 1.00 23.55 C +ATOM 672 C ASN A 164 -18.765 59.116 31.723 1.00 22.97 C +ATOM 673 O ASN A 164 -19.940 58.867 31.443 1.00 22.51 O +ATOM 674 CB ASN A 164 -18.377 58.357 34.100 1.00 25.62 C +ATOM 675 CG ASN A 164 -17.307 57.322 33.793 1.00 29.97 C +ATOM 676 OD1 ASN A 164 -17.321 56.659 32.741 1.00 28.63 O +ATOM 677 ND2 ASN A 164 -16.376 57.154 34.730 1.00 35.29 N +ATOM 678 N ALA A 165 -17.767 59.034 30.849 1.00 23.23 N +ATOM 679 CA ALA A 165 -17.961 58.769 29.428 1.00 23.61 C +ATOM 680 C ALA A 165 -18.715 57.460 29.144 1.00 24.47 C +ATOM 681 O ALA A 165 -19.361 57.336 28.099 1.00 22.99 O +ATOM 682 CB ALA A 165 -16.615 58.737 28.729 1.00 24.75 C +ATOM 683 N GLU A 166 -18.597 56.482 30.040 1.00 23.75 N +ATOM 684 CA GLU A 166 -19.164 55.154 29.811 1.00 24.52 C +ATOM 685 C GLU A 166 -20.480 54.890 30.540 1.00 24.69 C +ATOM 686 O GLU A 166 -21.028 53.805 30.434 1.00 23.00 O +ATOM 687 CB GLU A 166 -18.145 54.078 30.192 1.00 24.81 C +ATOM 688 CG GLU A 166 -16.896 54.077 29.340 1.00 26.84 C +ATOM 689 CD GLU A 166 -15.950 52.925 29.700 1.00 31.58 C +ATOM 690 OE1 GLU A 166 -16.429 51.826 30.055 1.00 34.55 O +ATOM 691 OE2 GLU A 166 -14.726 53.125 29.645 1.00 35.17 O +ATOM 692 N ASN A 167 -21.010 55.865 31.277 1.00 24.68 N +ATOM 693 CA ASN A 167 -22.264 55.654 31.992 1.00 23.80 C +ATOM 694 C ASN A 167 -23.439 55.620 31.014 1.00 24.71 C +ATOM 695 O ASN A 167 -23.570 56.516 30.220 1.00 23.89 O +ATOM 696 CB ASN A 167 -22.527 56.793 32.983 1.00 24.62 C +ATOM 697 CG ASN A 167 -21.717 56.673 34.237 1.00 25.78 C +ATOM 698 OD1 ASN A 167 -21.063 55.653 34.484 1.00 25.45 O +ATOM 699 ND2 ASN A 167 -21.751 57.722 35.050 1.00 29.05 N +ATOM 700 N PRO A 168 -24.322 54.630 31.109 1.00 26.30 N +ATOM 701 CA PRO A 168 -25.565 54.658 30.323 1.00 26.97 C +ATOM 702 C PRO A 168 -26.467 55.828 30.700 1.00 26.80 C +ATOM 703 O PRO A 168 -26.383 56.344 31.813 1.00 25.31 O +ATOM 704 CB PRO A 168 -26.246 53.329 30.674 1.00 27.16 C +ATOM 705 CG PRO A 168 -25.221 52.508 31.351 1.00 28.67 C +ATOM 706 CD PRO A 168 -24.220 53.430 31.958 1.00 26.11 C +ATOM 707 N ARG A 169 -27.327 56.249 29.777 1.00 27.41 N +ATOM 708 CA ARG A 169 -28.379 57.200 30.105 1.00 27.21 C +ATOM 709 C ARG A 169 -29.195 56.647 31.286 1.00 27.07 C +ATOM 710 O ARG A 169 -29.484 55.466 31.347 1.00 26.22 O +ATOM 711 CB ARG A 169 -29.274 57.457 28.895 1.00 28.53 C +ATOM 712 CG ARG A 169 -30.183 58.638 29.051 1.00 31.99 C +ATOM 713 CD ARG A 169 -30.895 59.069 27.769 1.00 37.69 C +ATOM 714 NE ARG A 169 -31.875 60.129 28.051 1.00 41.06 N +ATOM 715 CZ ARG A 169 -32.899 60.471 27.257 1.00 44.85 C +ATOM 716 NH1 ARG A 169 -33.125 59.840 26.109 1.00 44.95 N +ATOM 717 NH2 ARG A 169 -33.717 61.455 27.625 1.00 43.88 N +ATOM 718 N GLY A 170 -29.520 57.512 32.232 1.00 26.88 N +ATOM 719 CA GLY A 170 -30.245 57.127 33.426 1.00 26.51 C +ATOM 720 C GLY A 170 -29.381 56.622 34.566 1.00 26.56 C +ATOM 721 O GLY A 170 -29.905 56.072 35.529 1.00 26.78 O +ATOM 722 N THR A 171 -28.063 56.773 34.461 1.00 24.79 N +ATOM 723 CA THR A 171 -27.189 56.493 35.583 1.00 24.15 C +ATOM 724 C THR A 171 -27.520 57.454 36.720 1.00 24.01 C +ATOM 725 O THR A 171 -27.838 58.603 36.470 1.00 23.69 O +ATOM 726 CB THR A 171 -25.737 56.608 35.149 1.00 22.29 C +ATOM 727 OG1 THR A 171 -25.460 55.600 34.164 1.00 24.03 O +ATOM 728 CG2 THR A 171 -24.787 56.308 36.293 1.00 22.80 C +ATOM 729 N PHE A 172 -27.467 57.008 37.970 1.00 24.00 N +ATOM 730 CA PHE A 172 -27.974 57.853 39.040 1.00 24.41 C +ATOM 731 C PHE A 172 -27.317 57.656 40.388 1.00 25.18 C +ATOM 732 O PHE A 172 -26.645 56.656 40.660 1.00 24.80 O +ATOM 733 CB PHE A 172 -29.482 57.638 39.199 1.00 25.38 C +ATOM 734 CG PHE A 172 -29.822 56.356 39.902 1.00 26.94 C +ATOM 735 CD1 PHE A 172 -29.789 55.143 39.213 1.00 29.89 C +ATOM 736 CD2 PHE A 172 -30.115 56.352 41.251 1.00 30.63 C +ATOM 737 CE1 PHE A 172 -30.076 53.949 39.859 1.00 30.75 C +ATOM 738 CE2 PHE A 172 -30.410 55.150 41.909 1.00 31.44 C +ATOM 739 CZ PHE A 172 -30.384 53.949 41.208 1.00 30.83 C +ATOM 740 N LEU A 173 -27.523 58.647 41.239 1.00 24.70 N +ATOM 741 CA LEU A 173 -27.164 58.556 42.639 1.00 24.28 C +ATOM 742 C LEU A 173 -28.162 59.372 43.444 1.00 25.59 C +ATOM 743 O LEU A 173 -28.909 60.182 42.894 1.00 25.08 O +ATOM 744 CB LEU A 173 -25.730 59.031 42.877 1.00 24.52 C +ATOM 745 CG LEU A 173 -25.347 60.445 42.433 1.00 25.52 C +ATOM 746 CD1 LEU A 173 -25.801 61.497 43.485 1.00 26.50 C +ATOM 747 CD2 LEU A 173 -23.842 60.555 42.186 1.00 25.09 C +ATOM 748 N VAL A 174 -28.178 59.122 44.743 1.00 26.23 N +ATOM 749 CA VAL A 174 -28.936 59.909 45.704 1.00 26.88 C +ATOM 750 C VAL A 174 -27.947 60.533 46.667 1.00 26.91 C +ATOM 751 O VAL A 174 -27.005 59.892 47.111 1.00 27.77 O +ATOM 752 CB VAL A 174 -29.948 59.051 46.485 1.00 27.12 C +ATOM 753 CG1 VAL A 174 -30.650 59.890 47.567 1.00 27.72 C +ATOM 754 CG2 VAL A 174 -30.971 58.455 45.539 1.00 28.74 C +ATOM 755 N ARG A 175 -28.162 61.799 46.989 1.00 26.42 N +ATOM 756 CA ARG A 175 -27.277 62.544 47.885 1.00 26.73 C +ATOM 757 C ARG A 175 -28.092 63.486 48.764 1.00 27.41 C +ATOM 758 O ARG A 175 -29.282 63.666 48.539 1.00 27.70 O +ATOM 759 CB ARG A 175 -26.305 63.375 47.066 1.00 26.46 C +ATOM 760 CG ARG A 175 -26.979 64.383 46.153 1.00 27.08 C +ATOM 761 CD ARG A 175 -25.998 65.078 45.239 1.00 28.81 C +ATOM 762 NE ARG A 175 -26.695 65.920 44.283 1.00 28.63 N +ATOM 763 CZ ARG A 175 -27.150 67.135 44.537 1.00 30.96 C +ATOM 764 NH1 ARG A 175 -26.956 67.702 45.718 1.00 30.79 N +ATOM 765 NH2 ARG A 175 -27.794 67.801 43.589 1.00 31.79 N +ATOM 766 N GLU A 176 -27.433 64.102 49.733 1.00 29.04 N +ATOM 767 CA GLU A 176 -28.040 65.175 50.508 1.00 31.76 C +ATOM 768 C GLU A 176 -28.257 66.417 49.637 1.00 32.51 C +ATOM 769 O GLU A 176 -27.458 66.718 48.754 1.00 32.04 O +ATOM 770 CB GLU A 176 -27.154 65.547 51.699 1.00 32.31 C +ATOM 771 CG GLU A 176 -26.940 64.431 52.705 1.00 35.12 C +ATOM 772 CD GLU A 176 -26.375 64.932 54.032 1.00 41.22 C +ATOM 773 OE1 GLU A 176 -26.173 66.162 54.196 1.00 39.03 O +ATOM 774 OE2 GLU A 176 -26.134 64.091 54.926 1.00 44.40 O +ATOM 775 N SER A 177 -29.353 67.128 49.887 1.00 33.10 N +ATOM 776 CA SER A 177 -29.589 68.415 49.251 1.00 33.61 C +ATOM 777 C SER A 177 -28.737 69.503 49.912 1.00 34.38 C +ATOM 778 O SER A 177 -28.661 69.571 51.135 1.00 32.37 O +ATOM 779 CB SER A 177 -31.073 68.786 49.357 1.00 34.16 C +ATOM 780 OG SER A 177 -31.304 70.077 48.841 1.00 33.50 O +ATOM 781 N GLU A 178 -28.108 70.343 49.091 1.00 34.88 N +ATOM 782 CA GLU A 178 -27.330 71.501 49.550 1.00 36.77 C +ATOM 783 C GLU A 178 -28.183 72.726 49.884 1.00 37.31 C +ATOM 784 O GLU A 178 -27.692 73.644 50.533 1.00 37.06 O +ATOM 785 CB GLU A 178 -26.366 71.975 48.455 1.00 37.31 C +ATOM 786 CG GLU A 178 -25.363 70.971 47.928 1.00 38.68 C +ATOM 787 CD GLU A 178 -24.306 71.653 47.078 1.00 40.33 C +ATOM 788 OE1 GLU A 178 -23.311 72.128 47.659 1.00 45.20 O +ATOM 789 OE2 GLU A 178 -24.483 71.758 45.840 1.00 38.24 O +ATOM 790 N THR A 179 -29.424 72.758 49.394 1.00 38.24 N +ATOM 791 CA THR A 179 -30.281 73.951 49.468 1.00 39.27 C +ATOM 792 C THR A 179 -31.450 73.838 50.456 1.00 39.52 C +ATOM 793 O THR A 179 -31.911 74.848 50.958 1.00 39.47 O +ATOM 794 CB THR A 179 -30.832 74.317 48.065 1.00 39.43 C +ATOM 795 OG1 THR A 179 -31.483 73.190 47.467 1.00 39.29 O +ATOM 796 CG2 THR A 179 -29.702 74.676 47.097 1.00 40.11 C +ATOM 797 N THR A 180 -31.924 72.621 50.731 1.00 39.90 N +ATOM 798 CA THR A 180 -33.007 72.390 51.691 1.00 40.05 C +ATOM 799 C THR A 180 -32.527 71.437 52.782 1.00 41.00 C +ATOM 800 O THR A 180 -32.258 70.260 52.513 1.00 39.08 O +ATOM 801 CB THR A 180 -34.241 71.772 50.984 1.00 40.88 C +ATOM 802 OG1 THR A 180 -34.829 72.717 50.079 1.00 40.68 O +ATOM 803 CG2 THR A 180 -35.368 71.452 51.993 1.00 40.60 C +ATOM 804 N LYS A 181 -32.439 71.938 54.012 1.00 41.29 N +ATOM 805 CA LYS A 181 -32.005 71.127 55.148 1.00 42.54 C +ATOM 806 C LYS A 181 -32.917 69.907 55.319 1.00 41.51 C +ATOM 807 O LYS A 181 -34.143 70.036 55.280 1.00 41.37 O +ATOM 808 CB LYS A 181 -31.980 71.976 56.427 1.00 43.76 C +ATOM 809 CG LYS A 181 -31.297 71.302 57.611 1.00 47.40 C +ATOM 810 CD LYS A 181 -31.420 72.134 58.892 1.00 50.45 C +ATOM 811 CE LYS A 181 -31.218 71.263 60.143 1.00 52.41 C +ATOM 812 NZ LYS A 181 -31.543 71.985 61.414 1.00 54.30 N +ATOM 813 N GLY A 182 -32.311 68.724 55.451 1.00 40.32 N +ATOM 814 CA GLY A 182 -33.050 67.485 55.664 1.00 39.11 C +ATOM 815 C GLY A 182 -33.581 66.784 54.417 1.00 38.02 C +ATOM 816 O GLY A 182 -34.048 65.645 54.490 1.00 37.72 O +ATOM 817 N ALA A 183 -33.519 67.457 53.273 1.00 36.14 N +ATOM 818 CA ALA A 183 -33.988 66.889 52.019 1.00 34.58 C +ATOM 819 C ALA A 183 -32.844 66.175 51.293 1.00 33.30 C +ATOM 820 O ALA A 183 -31.677 66.289 51.659 1.00 31.55 O +ATOM 821 CB ALA A 183 -34.575 67.965 51.146 1.00 35.38 C +ATOM 822 N TYR A 184 -33.204 65.404 50.282 1.00 32.48 N +ATOM 823 CA TYR A 184 -32.238 64.671 49.486 1.00 32.06 C +ATOM 824 C TYR A 184 -32.365 65.099 48.036 1.00 31.62 C +ATOM 825 O TYR A 184 -33.175 65.966 47.698 1.00 30.91 O +ATOM 826 CB TYR A 184 -32.471 63.174 49.658 1.00 32.79 C +ATOM 827 CG TYR A 184 -32.228 62.729 51.070 1.00 35.34 C +ATOM 828 CD1 TYR A 184 -30.951 62.410 51.506 1.00 36.41 C +ATOM 829 CD2 TYR A 184 -33.280 62.653 51.987 1.00 38.67 C +ATOM 830 CE1 TYR A 184 -30.722 62.009 52.820 1.00 39.06 C +ATOM 831 CE2 TYR A 184 -33.059 62.247 53.306 1.00 40.16 C +ATOM 832 CZ TYR A 184 -31.780 61.934 53.712 1.00 40.11 C +ATOM 833 OH TYR A 184 -31.548 61.539 55.005 1.00 41.96 O +ATOM 834 N CYS A 185 -31.553 64.504 47.181 1.00 30.38 N +ATOM 835 CA CYS A 185 -31.581 64.818 45.766 1.00 30.88 C +ATOM 836 C CYS A 185 -31.251 63.596 44.939 1.00 29.34 C +ATOM 837 O CYS A 185 -30.310 62.880 45.238 1.00 28.75 O +ATOM 838 CB CYS A 185 -30.607 65.934 45.453 1.00 31.54 C +ATOM 839 SG CYS A 185 -30.874 66.542 43.784 1.00 37.08 S +ATOM 840 N LEU A 186 -32.064 63.353 43.921 1.00 28.98 N +ATOM 841 CA LEU A 186 -31.827 62.303 42.941 1.00 28.17 C +ATOM 842 C LEU A 186 -31.184 62.975 41.730 1.00 27.85 C +ATOM 843 O LEU A 186 -31.794 63.863 41.115 1.00 27.53 O +ATOM 844 CB LEU A 186 -33.150 61.658 42.545 1.00 28.25 C +ATOM 845 CG LEU A 186 -33.183 60.627 41.425 1.00 29.16 C +ATOM 846 CD1 LEU A 186 -32.313 59.436 41.775 1.00 31.17 C +ATOM 847 CD2 LEU A 186 -34.597 60.181 41.193 1.00 31.87 C +ATOM 848 N SER A 187 -29.961 62.568 41.406 1.00 26.36 N +ATOM 849 CA SER A 187 -29.215 63.131 40.283 1.00 26.02 C +ATOM 850 C SER A 187 -29.049 62.047 39.213 1.00 25.47 C +ATOM 851 O SER A 187 -28.707 60.912 39.523 1.00 25.62 O +ATOM 852 CB SER A 187 -27.878 63.683 40.777 1.00 26.77 C +ATOM 853 OG SER A 187 -28.068 64.660 41.799 1.00 28.15 O +ATOM 854 N VAL A 188 -29.330 62.399 37.962 1.00 24.75 N +ATOM 855 CA VAL A 188 -29.548 61.435 36.874 1.00 25.26 C +ATOM 856 C VAL A 188 -28.845 61.902 35.597 1.00 24.54 C +ATOM 857 O VAL A 188 -29.023 63.026 35.173 1.00 23.99 O +ATOM 858 CB VAL A 188 -31.052 61.276 36.548 1.00 25.10 C +ATOM 859 CG1 VAL A 188 -31.278 60.125 35.559 1.00 26.09 C +ATOM 860 CG2 VAL A 188 -31.868 61.042 37.827 1.00 27.57 C +ATOM 861 N SER A 189 -28.062 61.035 34.974 1.00 24.58 N +ATOM 862 CA SER A 189 -27.446 61.361 33.685 1.00 25.17 C +ATOM 863 C SER A 189 -28.481 61.321 32.557 1.00 25.88 C +ATOM 864 O SER A 189 -29.351 60.455 32.520 1.00 25.88 O +ATOM 865 CB SER A 189 -26.279 60.417 33.374 1.00 24.94 C +ATOM 866 OG SER A 189 -26.754 59.145 32.936 1.00 27.68 O +ATOM 867 N ASP A 190 -28.382 62.292 31.659 1.00 25.49 N +ATOM 868 CA ASP A 190 -29.311 62.455 30.553 1.00 26.42 C +ATOM 869 C ASP A 190 -28.505 62.786 29.310 1.00 25.88 C +ATOM 870 O ASP A 190 -27.282 62.833 29.350 1.00 24.50 O +ATOM 871 CB ASP A 190 -30.282 63.594 30.881 1.00 26.07 C +ATOM 872 CG ASP A 190 -31.570 63.562 30.056 1.00 32.32 C +ATOM 873 OD1 ASP A 190 -31.855 62.565 29.337 1.00 35.96 O +ATOM 874 OD2 ASP A 190 -32.357 64.528 30.072 1.00 35.88 O +ATOM 875 N PHE A 191 -29.199 62.999 28.199 1.00 27.15 N +ATOM 876 CA PHE A 191 -28.556 63.224 26.919 1.00 28.43 C +ATOM 877 C PHE A 191 -29.459 64.054 26.032 1.00 28.58 C +ATOM 878 O PHE A 191 -30.628 63.706 25.825 1.00 28.29 O +ATOM 879 CB PHE A 191 -28.241 61.882 26.244 1.00 28.87 C +ATOM 880 CG PHE A 191 -27.266 62.002 25.129 1.00 29.67 C +ATOM 881 CD1 PHE A 191 -25.906 62.012 25.384 1.00 29.92 C +ATOM 882 CD2 PHE A 191 -27.701 62.146 23.822 1.00 30.10 C +ATOM 883 CE1 PHE A 191 -25.008 62.145 24.358 1.00 30.01 C +ATOM 884 CE2 PHE A 191 -26.789 62.278 22.786 1.00 31.14 C +ATOM 885 CZ PHE A 191 -25.452 62.288 23.059 1.00 30.19 C +ATOM 886 N ASP A 192 -28.912 65.147 25.511 1.00 28.24 N +ATOM 887 CA ASP A 192 -29.598 66.015 24.559 1.00 29.97 C +ATOM 888 C ASP A 192 -29.059 65.623 23.186 1.00 29.78 C +ATOM 889 O ASP A 192 -27.846 65.578 22.971 1.00 26.92 O +ATOM 890 CB ASP A 192 -29.307 67.491 24.894 1.00 29.50 C +ATOM 891 CG ASP A 192 -30.039 68.481 23.988 1.00 34.24 C +ATOM 892 OD1 ASP A 192 -29.706 68.598 22.791 1.00 33.52 O +ATOM 893 OD2 ASP A 192 -30.946 69.226 24.412 1.00 39.78 O +ATOM 894 N ASN A 193 -29.963 65.309 22.265 1.00 30.80 N +ATOM 895 CA ASN A 193 -29.569 64.833 20.941 1.00 32.32 C +ATOM 896 C ASN A 193 -28.718 65.846 20.186 1.00 31.86 C +ATOM 897 O ASN A 193 -27.839 65.463 19.435 1.00 33.22 O +ATOM 898 CB ASN A 193 -30.804 64.422 20.119 1.00 34.44 C +ATOM 899 CG ASN A 193 -31.437 63.124 20.627 1.00 38.40 C +ATOM 900 OD1 ASN A 193 -30.739 62.139 20.899 1.00 44.23 O +ATOM 901 ND2 ASN A 193 -32.759 63.124 20.768 1.00 44.85 N +ATOM 902 N ALA A 194 -28.967 67.137 20.404 1.00 30.72 N +ATOM 903 CA ALA A 194 -28.132 68.185 19.822 1.00 30.23 C +ATOM 904 C ALA A 194 -26.868 68.505 20.639 1.00 28.65 C +ATOM 905 O ALA A 194 -25.827 68.783 20.066 1.00 29.66 O +ATOM 906 CB ALA A 194 -28.951 69.466 19.603 1.00 31.36 C +ATOM 907 N LYS A 195 -26.949 68.487 21.962 1.00 26.77 N +ATOM 908 CA LYS A 195 -25.893 69.097 22.772 1.00 25.40 C +ATOM 909 C LYS A 195 -25.073 68.117 23.610 1.00 24.90 C +ATOM 910 O LYS A 195 -24.055 68.507 24.169 1.00 26.13 O +ATOM 911 CB LYS A 195 -26.481 70.180 23.678 1.00 24.56 C +ATOM 912 CG LYS A 195 -27.197 71.316 22.934 1.00 25.50 C +ATOM 913 CD LYS A 195 -26.343 72.010 21.877 1.00 27.02 C +ATOM 914 CE LYS A 195 -26.964 73.351 21.426 1.00 31.31 C +ATOM 915 NZ LYS A 195 -26.185 73.975 20.305 1.00 32.33 N +ATOM 916 N GLY A 196 -25.516 66.872 23.719 1.00 24.21 N +ATOM 917 CA GLY A 196 -24.770 65.852 24.442 1.00 23.56 C +ATOM 918 C GLY A 196 -25.128 65.636 25.898 1.00 22.70 C +ATOM 919 O GLY A 196 -26.225 65.959 26.364 1.00 23.33 O +ATOM 920 N LEU A 197 -24.175 65.065 26.624 1.00 22.21 N +ATOM 921 CA LEU A 197 -24.381 64.649 27.995 1.00 22.87 C +ATOM 922 C LEU A 197 -24.702 65.810 28.900 1.00 22.41 C +ATOM 923 O LEU A 197 -24.089 66.871 28.788 1.00 22.85 O +ATOM 924 CB LEU A 197 -23.111 63.998 28.548 1.00 24.33 C +ATOM 925 CG LEU A 197 -22.705 62.600 28.062 1.00 24.10 C +ATOM 926 CD1 LEU A 197 -21.310 62.311 28.560 1.00 27.53 C +ATOM 927 CD2 LEU A 197 -23.671 61.534 28.573 1.00 26.14 C +ATOM 928 N ASN A 198 -25.623 65.574 29.822 1.00 22.68 N +ATOM 929 CA ASN A 198 -25.967 66.539 30.864 1.00 23.46 C +ATOM 930 C ASN A 198 -26.567 65.801 32.056 1.00 24.02 C +ATOM 931 O ASN A 198 -26.821 64.602 31.970 1.00 23.77 O +ATOM 932 CB ASN A 198 -26.902 67.613 30.313 1.00 24.83 C +ATOM 933 CG ASN A 198 -28.288 67.068 29.933 1.00 28.42 C +ATOM 934 OD1 ASN A 198 -29.190 67.002 30.763 1.00 30.81 O +ATOM 935 ND2 ASN A 198 -28.443 66.674 28.684 1.00 31.59 N +ATOM 936 N VAL A 199 -26.746 66.493 33.173 1.00 22.78 N +ATOM 937 CA VAL A 199 -27.291 65.889 34.392 1.00 24.19 C +ATOM 938 C VAL A 199 -28.523 66.657 34.845 1.00 24.09 C +ATOM 939 O VAL A 199 -28.538 67.883 34.795 1.00 25.23 O +ATOM 940 CB VAL A 199 -26.224 65.860 35.526 1.00 23.28 C +ATOM 941 CG1 VAL A 199 -26.821 65.357 36.852 1.00 24.63 C +ATOM 942 CG2 VAL A 199 -25.072 65.003 35.124 1.00 25.28 C +ATOM 943 N LYS A 200 -29.564 65.925 35.250 1.00 25.81 N +ATOM 944 CA LYS A 200 -30.773 66.508 35.833 1.00 26.67 C +ATOM 945 C LYS A 200 -30.821 66.183 37.333 1.00 26.83 C +ATOM 946 O LYS A 200 -30.387 65.115 37.759 1.00 25.78 O +ATOM 947 CB LYS A 200 -32.017 65.931 35.163 1.00 27.57 C +ATOM 948 CG LYS A 200 -32.092 66.123 33.644 1.00 31.12 C +ATOM 949 CD LYS A 200 -32.365 67.555 33.273 1.00 34.92 C +ATOM 950 CE LYS A 200 -32.862 67.695 31.814 1.00 37.86 C +ATOM 951 NZ LYS A 200 -31.984 66.985 30.828 1.00 38.83 N +ATOM 952 N HIS A 201 -31.377 67.090 38.121 1.00 25.41 N +ATOM 953 CA HIS A 201 -31.474 66.915 39.558 1.00 26.69 C +ATOM 954 C HIS A 201 -32.920 67.083 40.014 1.00 28.07 C +ATOM 955 O HIS A 201 -33.595 68.025 39.597 1.00 27.93 O +ATOM 956 CB HIS A 201 -30.604 67.938 40.267 1.00 27.14 C +ATOM 957 CG HIS A 201 -29.165 67.903 39.861 1.00 25.52 C +ATOM 958 ND1 HIS A 201 -28.236 67.073 40.457 1.00 26.36 N +ATOM 959 CD2 HIS A 201 -28.491 68.615 38.920 1.00 28.41 C +ATOM 960 CE1 HIS A 201 -27.052 67.280 39.901 1.00 27.70 C +ATOM 961 NE2 HIS A 201 -27.180 68.204 38.961 1.00 26.48 N +ATOM 962 N TYR A 202 -33.380 66.195 40.887 1.00 28.27 N +ATOM 963 CA TYR A 202 -34.758 66.218 41.368 1.00 28.68 C +ATOM 964 C TYR A 202 -34.759 66.209 42.885 1.00 29.69 C +ATOM 965 O TYR A 202 -34.308 65.251 43.508 1.00 26.87 O +ATOM 966 CB TYR A 202 -35.520 65.013 40.825 1.00 28.92 C +ATOM 967 CG TYR A 202 -35.482 64.921 39.321 1.00 29.47 C +ATOM 968 CD1 TYR A 202 -36.401 65.624 38.531 1.00 30.18 C +ATOM 969 CD2 TYR A 202 -34.523 64.142 38.686 1.00 28.32 C +ATOM 970 CE1 TYR A 202 -36.365 65.537 37.149 1.00 31.85 C +ATOM 971 CE2 TYR A 202 -34.469 64.050 37.314 1.00 29.45 C +ATOM 972 CZ TYR A 202 -35.386 64.749 36.546 1.00 31.92 C +ATOM 973 OH TYR A 202 -35.305 64.642 35.181 1.00 34.16 O +ATOM 974 N LYS A 203 -35.247 67.286 43.494 1.00 29.99 N +ATOM 975 CA LYS A 203 -35.212 67.363 44.945 1.00 31.90 C +ATOM 976 C LYS A 203 -36.185 66.343 45.546 1.00 31.77 C +ATOM 977 O LYS A 203 -37.307 66.191 45.063 1.00 31.76 O +ATOM 978 CB LYS A 203 -35.528 68.769 45.434 1.00 32.46 C +ATOM 979 CG LYS A 203 -35.183 68.958 46.903 1.00 35.05 C +ATOM 980 CD LYS A 203 -35.312 70.411 47.343 1.00 35.75 C +ATOM 981 CE LYS A 203 -34.081 71.210 46.969 1.00 36.02 C +ATOM 982 NZ LYS A 203 -34.252 72.646 47.282 1.00 34.63 N +ATOM 983 N ILE A 204 -35.723 65.623 46.563 1.00 32.10 N +ATOM 984 CA ILE A 204 -36.550 64.686 47.319 1.00 33.36 C +ATOM 985 C ILE A 204 -36.845 65.322 48.683 1.00 35.53 C +ATOM 986 O ILE A 204 -35.958 65.457 49.517 1.00 33.77 O +ATOM 987 CB ILE A 204 -35.841 63.324 47.490 1.00 32.94 C +ATOM 988 CG1 ILE A 204 -35.519 62.704 46.125 1.00 31.73 C +ATOM 989 CG2 ILE A 204 -36.723 62.357 48.281 1.00 32.90 C +ATOM 990 CD1 ILE A 204 -34.686 61.456 46.205 1.00 31.52 C +ATOM 991 N ARG A 205 -38.083 65.752 48.882 1.00 38.66 N +ATOM 992 CA ARG A 205 -38.493 66.336 50.162 1.00 42.22 C +ATOM 993 C ARG A 205 -39.070 65.270 51.089 1.00 44.38 C +ATOM 994 O ARG A 205 -39.478 64.195 50.643 1.00 44.35 O +ATOM 995 CB ARG A 205 -39.506 67.464 49.939 1.00 42.16 C +ATOM 996 CG ARG A 205 -38.933 68.664 49.206 1.00 44.38 C +ATOM 997 CD ARG A 205 -39.988 69.670 48.768 1.00 45.51 C +ATOM 998 NE ARG A 205 -39.433 70.775 47.987 1.00 46.33 N +ATOM 999 CZ ARG A 205 -38.796 71.832 48.500 1.00 49.07 C +ATOM 1000 NH1 ARG A 205 -38.590 71.949 49.812 1.00 49.80 N +ATOM 1001 NH2 ARG A 205 -38.352 72.787 47.691 1.00 49.79 N +ATOM 1002 N LYS A 206 -39.079 65.572 52.385 1.00 47.79 N +ATOM 1003 CA LYS A 206 -39.627 64.678 53.401 1.00 50.17 C +ATOM 1004 C LYS A 206 -40.754 65.393 54.147 1.00 52.25 C +ATOM 1005 O LYS A 206 -40.635 66.573 54.474 1.00 51.87 O +ATOM 1006 CB LYS A 206 -38.534 64.229 54.381 1.00 50.53 C +ATOM 1007 CG LYS A 206 -38.905 62.994 55.225 1.00 50.92 C +ATOM 1008 N LEU A 207 -41.843 64.665 54.386 1.00 54.94 N +ATOM 1009 CA LEU A 207 -42.987 65.144 55.163 1.00 56.96 C +ATOM 1010 C LEU A 207 -42.827 64.807 56.647 1.00 58.12 C +ATOM 1011 O LEU A 207 -41.850 64.174 57.055 1.00 58.44 O +ATOM 1012 CB LEU A 207 -44.276 64.491 54.643 1.00 57.28 C +ATOM 1013 CG LEU A 207 -44.715 64.835 53.221 1.00 58.42 C +ATOM 1014 CD1 LEU A 207 -45.814 63.885 52.768 1.00 59.23 C +ATOM 1015 CD2 LEU A 207 -45.182 66.285 53.142 1.00 59.36 C +ATOM 1016 N ASP A 208 -43.810 65.222 57.445 1.00 59.80 N +ATOM 1017 CA ASP A 208 -43.842 64.906 58.877 1.00 60.62 C +ATOM 1018 C ASP A 208 -44.286 63.455 59.062 1.00 60.63 C +ATOM 1019 O ASP A 208 -43.820 62.763 59.969 1.00 60.88 O +ATOM 1020 CB ASP A 208 -44.786 65.850 59.632 1.00 61.04 C +ATOM 1021 CG ASP A 208 -44.913 67.214 58.967 1.00 62.66 C +ATOM 1022 OD1 ASP A 208 -43.888 67.741 58.478 1.00 64.97 O +ATOM 1023 OD2 ASP A 208 -45.998 67.828 58.872 1.00 65.07 O +ATOM 1024 N SER A 209 -45.176 63.006 58.175 1.00 60.57 N +ATOM 1025 CA SER A 209 -45.705 61.636 58.183 1.00 60.22 C +ATOM 1026 C SER A 209 -44.608 60.574 58.009 1.00 59.49 C +ATOM 1027 O SER A 209 -44.812 59.407 58.356 1.00 59.81 O +ATOM 1028 CB SER A 209 -46.752 61.456 57.068 1.00 60.59 C +ATOM 1029 OG SER A 209 -47.474 62.652 56.810 1.00 60.58 O +ATOM 1030 N GLY A 210 -43.464 60.981 57.456 1.00 57.84 N +ATOM 1031 CA GLY A 210 -42.339 60.091 57.229 1.00 56.58 C +ATOM 1032 C GLY A 210 -42.087 59.821 55.753 1.00 55.20 C +ATOM 1033 O GLY A 210 -41.122 59.139 55.404 1.00 55.01 O +ATOM 1034 N GLY A 211 -42.947 60.355 54.886 1.00 52.92 N +ATOM 1035 CA GLY A 211 -42.870 60.080 53.465 1.00 51.01 C +ATOM 1036 C GLY A 211 -41.781 60.854 52.737 1.00 49.19 C +ATOM 1037 O GLY A 211 -41.337 61.903 53.196 1.00 49.05 O +ATOM 1038 N PHE A 212 -41.350 60.311 51.601 1.00 46.08 N +ATOM 1039 CA PHE A 212 -40.411 60.967 50.699 1.00 43.86 C +ATOM 1040 C PHE A 212 -41.091 61.157 49.348 1.00 41.91 C +ATOM 1041 O PHE A 212 -41.792 60.268 48.868 1.00 41.55 O +ATOM 1042 CB PHE A 212 -39.169 60.096 50.507 1.00 43.17 C +ATOM 1043 CG PHE A 212 -38.351 59.910 51.752 1.00 43.02 C +ATOM 1044 CD1 PHE A 212 -37.443 60.881 52.151 1.00 43.94 C +ATOM 1045 CD2 PHE A 212 -38.482 58.757 52.520 1.00 44.62 C +ATOM 1046 CE1 PHE A 212 -36.675 60.710 53.294 1.00 46.24 C +ATOM 1047 CE2 PHE A 212 -37.719 58.576 53.667 1.00 45.34 C +ATOM 1048 CZ PHE A 212 -36.810 59.556 54.055 1.00 45.80 C +ATOM 1049 N TYR A 213 -40.876 62.302 48.715 1.00 39.64 N +ATOM 1050 CA TYR A 213 -41.441 62.524 47.388 1.00 38.60 C +ATOM 1051 C TYR A 213 -40.627 63.495 46.529 1.00 37.40 C +ATOM 1052 O TYR A 213 -39.976 64.401 47.044 1.00 35.32 O +ATOM 1053 CB TYR A 213 -42.879 63.042 47.516 1.00 38.67 C +ATOM 1054 CG TYR A 213 -42.981 64.433 48.105 1.00 39.20 C +ATOM 1055 CD1 TYR A 213 -43.019 64.630 49.487 1.00 41.00 C +ATOM 1056 CD2 TYR A 213 -43.038 65.551 47.282 1.00 40.60 C +ATOM 1057 CE1 TYR A 213 -43.115 65.916 50.028 1.00 42.29 C +ATOM 1058 CE2 TYR A 213 -43.128 66.830 47.807 1.00 42.90 C +ATOM 1059 CZ TYR A 213 -43.168 67.009 49.175 1.00 42.72 C +ATOM 1060 OH TYR A 213 -43.257 68.284 49.674 1.00 45.49 O +ATOM 1061 N ILE A 214 -40.701 63.293 45.217 1.00 36.39 N +ATOM 1062 CA ILE A 214 -40.254 64.276 44.228 1.00 36.41 C +ATOM 1063 C ILE A 214 -41.442 65.166 43.825 1.00 37.28 C +ATOM 1064 O ILE A 214 -41.304 66.380 43.690 1.00 35.29 O +ATOM 1065 CB ILE A 214 -39.631 63.547 43.004 1.00 35.85 C +ATOM 1066 CG1 ILE A 214 -38.261 62.990 43.386 1.00 34.97 C +ATOM 1067 CG2 ILE A 214 -39.480 64.475 41.802 1.00 35.80 C +ATOM 1068 CD1 ILE A 214 -37.692 62.019 42.365 1.00 34.28 C +ATOM 1069 N THR A 215 -42.598 64.539 43.631 1.00 38.73 N +ATOM 1070 CA THR A 215 -43.861 65.240 43.405 1.00 40.40 C +ATOM 1071 C THR A 215 -44.886 64.782 44.448 1.00 41.45 C +ATOM 1072 O THR A 215 -44.926 63.608 44.832 1.00 40.70 O +ATOM 1073 CB THR A 215 -44.374 65.002 41.958 1.00 40.82 C +ATOM 1074 OG1 THR A 215 -45.663 65.603 41.787 1.00 42.33 O +ATOM 1075 CG2 THR A 215 -44.613 63.518 41.666 1.00 39.98 C +ATOM 1076 N SER A 216 -45.712 65.721 44.901 1.00 43.41 N +ATOM 1077 CA SER A 216 -46.651 65.484 46.001 1.00 44.48 C +ATOM 1078 C SER A 216 -47.575 64.279 45.786 1.00 45.07 C +ATOM 1079 O SER A 216 -47.913 63.572 46.739 1.00 44.91 O +ATOM 1080 CB SER A 216 -47.492 66.743 46.246 1.00 44.40 C +ATOM 1081 OG SER A 216 -47.804 66.864 47.617 1.00 46.74 O +ATOM 1082 N ARG A 217 -47.964 64.048 44.535 1.00 45.98 N +ATOM 1083 CA ARG A 217 -48.911 62.983 44.188 1.00 46.98 C +ATOM 1084 C ARG A 217 -48.352 61.554 44.313 1.00 47.26 C +ATOM 1085 O ARG A 217 -49.121 60.599 44.364 1.00 47.03 O +ATOM 1086 CB ARG A 217 -49.438 63.199 42.761 1.00 47.33 C +ATOM 1087 CG ARG A 217 -48.433 62.872 41.657 1.00 48.25 C +ATOM 1088 N THR A 218 -47.027 61.409 44.335 1.00 47.22 N +ATOM 1089 CA THR A 218 -46.386 60.097 44.446 1.00 47.17 C +ATOM 1090 C THR A 218 -45.442 60.059 45.642 1.00 46.80 C +ATOM 1091 O THR A 218 -44.337 60.603 45.588 1.00 45.78 O +ATOM 1092 CB THR A 218 -45.618 59.772 43.146 1.00 47.53 C +ATOM 1093 OG1 THR A 218 -46.451 60.040 42.014 1.00 47.21 O +ATOM 1094 CG2 THR A 218 -45.330 58.283 43.036 1.00 48.15 C +ATOM 1095 N GLN A 219 -45.878 59.408 46.718 1.00 45.93 N +ATOM 1096 CA GLN A 219 -45.091 59.336 47.945 1.00 45.90 C +ATOM 1097 C GLN A 219 -44.638 57.916 48.255 1.00 44.88 C +ATOM 1098 O GLN A 219 -45.251 56.934 47.817 1.00 44.21 O +ATOM 1099 CB GLN A 219 -45.885 59.894 49.125 1.00 46.68 C +ATOM 1100 CG GLN A 219 -46.338 61.336 48.928 1.00 49.08 C +ATOM 1101 CD GLN A 219 -47.188 61.847 50.075 1.00 50.99 C +ATOM 1102 OE1 GLN A 219 -47.465 61.116 51.025 1.00 52.26 O +ATOM 1103 NE2 GLN A 219 -47.604 63.103 49.987 1.00 52.08 N +ATOM 1104 N PHE A 220 -43.552 57.838 49.021 1.00 43.35 N +ATOM 1105 CA PHE A 220 -42.906 56.584 49.382 1.00 42.72 C +ATOM 1106 C PHE A 220 -42.529 56.616 50.855 1.00 42.37 C +ATOM 1107 O PHE A 220 -42.315 57.679 51.421 1.00 41.61 O +ATOM 1108 CB PHE A 220 -41.640 56.374 48.535 1.00 42.64 C +ATOM 1109 CG PHE A 220 -41.869 56.540 47.065 1.00 41.65 C +ATOM 1110 CD1 PHE A 220 -42.341 55.481 46.302 1.00 41.55 C +ATOM 1111 CD2 PHE A 220 -41.642 57.762 46.447 1.00 41.12 C +ATOM 1112 CE1 PHE A 220 -42.571 55.634 44.942 1.00 42.24 C +ATOM 1113 CE2 PHE A 220 -41.870 57.924 45.091 1.00 41.38 C +ATOM 1114 CZ PHE A 220 -42.334 56.858 44.335 1.00 41.89 C +ATOM 1115 N ASN A 221 -42.429 55.443 51.463 1.00 42.00 N +ATOM 1116 CA ASN A 221 -42.054 55.337 52.868 1.00 42.48 C +ATOM 1117 C ASN A 221 -40.535 55.263 53.088 1.00 41.27 C +ATOM 1118 O ASN A 221 -40.067 55.322 54.224 1.00 41.28 O +ATOM 1119 CB ASN A 221 -42.746 54.122 53.494 1.00 43.12 C +ATOM 1120 CG ASN A 221 -44.267 54.224 53.446 1.00 45.86 C +ATOM 1121 OD1 ASN A 221 -44.951 53.286 53.023 1.00 50.25 O +ATOM 1122 ND2 ASN A 221 -44.801 55.359 53.888 1.00 46.30 N +ATOM 1123 N SER A 222 -39.776 55.150 52.000 1.00 39.09 N +ATOM 1124 CA SER A 222 -38.319 55.078 52.070 1.00 38.19 C +ATOM 1125 C SER A 222 -37.675 55.570 50.770 1.00 36.94 C +ATOM 1126 O SER A 222 -38.299 55.541 49.713 1.00 35.71 O +ATOM 1127 CB SER A 222 -37.881 53.637 52.310 1.00 37.81 C +ATOM 1128 OG SER A 222 -38.350 52.791 51.268 1.00 37.91 O +ATOM 1129 N LEU A 223 -36.425 56.010 50.859 1.00 36.67 N +ATOM 1130 CA LEU A 223 -35.616 56.286 49.659 1.00 35.88 C +ATOM 1131 C LEU A 223 -35.500 55.035 48.798 1.00 35.30 C +ATOM 1132 O LEU A 223 -35.497 55.109 47.582 1.00 35.37 O +ATOM 1133 CB LEU A 223 -34.221 56.773 50.046 1.00 35.16 C +ATOM 1134 CG LEU A 223 -34.123 58.162 50.669 1.00 36.91 C +ATOM 1135 CD1 LEU A 223 -32.675 58.495 51.049 1.00 37.10 C +ATOM 1136 CD2 LEU A 223 -34.680 59.218 49.723 1.00 36.48 C +ATOM 1137 N GLN A 224 -35.430 53.878 49.441 1.00 35.98 N +ATOM 1138 CA GLN A 224 -35.288 52.613 48.742 1.00 36.63 C +ATOM 1139 C GLN A 224 -36.480 52.352 47.825 1.00 36.40 C +ATOM 1140 O GLN A 224 -36.311 51.909 46.701 1.00 35.20 O +ATOM 1141 CB GLN A 224 -35.134 51.471 49.757 1.00 38.35 C +ATOM 1142 CG GLN A 224 -33.765 51.425 50.439 1.00 40.95 C +ATOM 1143 CD GLN A 224 -33.662 52.237 51.741 1.00 43.00 C +ATOM 1144 OE1 GLN A 224 -34.433 53.181 51.983 1.00 41.89 O +ATOM 1145 NE2 GLN A 224 -32.682 51.875 52.571 1.00 43.00 N +ATOM 1146 N GLN A 225 -37.685 52.639 48.308 1.00 37.28 N +ATOM 1147 CA GLN A 225 -38.905 52.428 47.521 1.00 37.90 C +ATOM 1148 C GLN A 225 -39.055 53.485 46.414 1.00 37.02 C +ATOM 1149 O GLN A 225 -39.590 53.204 45.343 1.00 36.48 O +ATOM 1150 CB GLN A 225 -40.138 52.439 48.431 1.00 38.47 C +ATOM 1151 CG GLN A 225 -40.243 51.195 49.308 1.00 41.10 C +ATOM 1152 CD GLN A 225 -41.167 51.375 50.499 1.00 43.48 C +ATOM 1153 OE1 GLN A 225 -40.754 51.893 51.540 1.00 44.76 O +ATOM 1154 NE2 GLN A 225 -42.414 50.926 50.358 1.00 46.87 N +ATOM 1155 N LEU A 226 -38.589 54.699 46.684 1.00 36.34 N +ATOM 1156 CA LEU A 226 -38.559 55.757 45.674 1.00 35.86 C +ATOM 1157 C LEU A 226 -37.661 55.325 44.508 1.00 35.18 C +ATOM 1158 O LEU A 226 -38.059 55.398 43.350 1.00 35.17 O +ATOM 1159 CB LEU A 226 -38.066 57.066 46.294 1.00 35.54 C +ATOM 1160 CG LEU A 226 -38.040 58.318 45.409 1.00 35.83 C +ATOM 1161 CD1 LEU A 226 -38.307 59.585 46.228 1.00 36.36 C +ATOM 1162 CD2 LEU A 226 -36.708 58.452 44.657 1.00 34.37 C +ATOM 1163 N VAL A 227 -36.467 54.839 44.826 1.00 34.85 N +ATOM 1164 CA VAL A 227 -35.517 54.394 43.811 1.00 34.25 C +ATOM 1165 C VAL A 227 -36.086 53.204 43.030 1.00 34.92 C +ATOM 1166 O VAL A 227 -35.991 53.156 41.806 1.00 33.49 O +ATOM 1167 CB VAL A 227 -34.148 54.050 44.441 1.00 34.55 C +ATOM 1168 CG1 VAL A 227 -33.249 53.353 43.440 1.00 33.89 C +ATOM 1169 CG2 VAL A 227 -33.476 55.313 44.974 1.00 34.06 C +ATOM 1170 N ALA A 228 -36.722 52.269 43.734 1.00 35.07 N +ATOM 1171 CA ALA A 228 -37.289 51.078 43.093 1.00 35.99 C +ATOM 1172 C ALA A 228 -38.352 51.456 42.065 1.00 35.56 C +ATOM 1173 O ALA A 228 -38.395 50.909 40.965 1.00 36.83 O +ATOM 1174 CB ALA A 228 -37.878 50.137 44.144 1.00 35.77 C +ATOM 1175 N TYR A 229 -39.196 52.408 42.434 1.00 35.59 N +ATOM 1176 CA TYR A 229 -40.282 52.874 41.584 1.00 35.71 C +ATOM 1177 C TYR A 229 -39.756 53.536 40.310 1.00 35.20 C +ATOM 1178 O TYR A 229 -40.214 53.232 39.214 1.00 35.16 O +ATOM 1179 CB TYR A 229 -41.162 53.850 42.376 1.00 35.32 C +ATOM 1180 CG TYR A 229 -42.306 54.469 41.602 1.00 36.84 C +ATOM 1181 CD1 TYR A 229 -42.148 55.695 40.954 1.00 38.69 C +ATOM 1182 CD2 TYR A 229 -43.561 53.848 41.544 1.00 38.69 C +ATOM 1183 CE1 TYR A 229 -43.191 56.279 40.253 1.00 39.37 C +ATOM 1184 CE2 TYR A 229 -44.622 54.432 40.843 1.00 39.52 C +ATOM 1185 CZ TYR A 229 -44.426 55.647 40.201 1.00 40.57 C +ATOM 1186 OH TYR A 229 -45.445 56.243 39.496 1.00 42.28 O +ATOM 1187 N TYR A 230 -38.786 54.435 40.449 1.00 35.42 N +ATOM 1188 CA TYR A 230 -38.300 55.190 39.295 1.00 35.63 C +ATOM 1189 C TYR A 230 -37.367 54.344 38.424 1.00 35.42 C +ATOM 1190 O TYR A 230 -37.111 54.689 37.278 1.00 34.67 O +ATOM 1191 CB TYR A 230 -37.679 56.529 39.719 1.00 35.34 C +ATOM 1192 CG TYR A 230 -38.728 57.537 40.161 1.00 35.84 C +ATOM 1193 CD1 TYR A 230 -39.666 58.029 39.263 1.00 36.13 C +ATOM 1194 CD2 TYR A 230 -38.802 57.973 41.483 1.00 35.63 C +ATOM 1195 CE1 TYR A 230 -40.645 58.939 39.663 1.00 36.37 C +ATOM 1196 CE2 TYR A 230 -39.781 58.880 41.892 1.00 35.55 C +ATOM 1197 CZ TYR A 230 -40.697 59.356 40.980 1.00 35.86 C +ATOM 1198 OH TYR A 230 -41.663 60.261 41.376 1.00 38.71 O +ATOM 1199 N SER A 231 -36.910 53.214 38.953 1.00 36.33 N +ATOM 1200 CA SER A 231 -36.195 52.229 38.150 1.00 37.53 C +ATOM 1201 C SER A 231 -37.160 51.424 37.259 1.00 39.43 C +ATOM 1202 O SER A 231 -36.723 50.789 36.314 1.00 39.95 O +ATOM 1203 CB SER A 231 -35.402 51.270 39.040 1.00 37.52 C +ATOM 1204 OG SER A 231 -34.464 51.961 39.844 1.00 36.44 O +ATOM 1205 N LYS A 232 -38.454 51.424 37.585 1.00 41.18 N +ATOM 1206 CA LYS A 232 -39.475 50.766 36.759 1.00 42.57 C +ATOM 1207 C LYS A 232 -40.100 51.709 35.728 1.00 42.88 C +ATOM 1208 O LYS A 232 -40.313 51.316 34.581 1.00 42.47 O +ATOM 1209 CB LYS A 232 -40.578 50.172 37.640 1.00 42.84 C +ATOM 1210 CG LYS A 232 -40.126 48.991 38.472 1.00 46.35 C +ATOM 1211 CD LYS A 232 -41.292 48.385 39.263 1.00 48.84 C +ATOM 1212 CE LYS A 232 -40.907 47.053 39.902 1.00 51.00 C +ATOM 1213 NZ LYS A 232 -42.078 46.133 40.017 1.00 52.78 N +ATOM 1214 N HIS A 233 -40.413 52.936 36.152 1.00 43.42 N +ATOM 1215 CA HIS A 233 -41.023 53.953 35.290 1.00 44.31 C +ATOM 1216 C HIS A 233 -40.387 55.323 35.537 1.00 43.35 C +ATOM 1217 O HIS A 233 -40.203 55.725 36.688 1.00 42.49 O +ATOM 1218 CB HIS A 233 -42.541 54.085 35.541 1.00 44.88 C +ATOM 1219 CG HIS A 233 -43.179 52.865 36.132 1.00 47.70 C +ATOM 1220 ND1 HIS A 233 -43.159 52.595 37.485 1.00 49.85 N +ATOM 1221 CD2 HIS A 233 -43.864 51.851 35.554 1.00 48.85 C +ATOM 1222 CE1 HIS A 233 -43.792 51.457 37.712 1.00 51.35 C +ATOM 1223 NE2 HIS A 233 -44.234 50.989 36.557 1.00 51.18 N +ATOM 1224 N ALA A 234 -40.079 56.043 34.460 1.00 42.89 N +ATOM 1225 CA ALA A 234 -39.602 57.425 34.568 1.00 41.81 C +ATOM 1226 C ALA A 234 -40.661 58.290 35.239 1.00 41.53 C +ATOM 1227 O ALA A 234 -40.355 59.080 36.131 1.00 39.89 O +ATOM 1228 CB ALA A 234 -39.259 57.989 33.194 1.00 42.20 C +ATOM 1229 N ASP A 235 -41.907 58.135 34.789 1.00 41.61 N +ATOM 1230 CA ASP A 235 -43.053 58.823 35.372 1.00 42.00 C +ATOM 1231 C ASP A 235 -42.763 60.292 35.697 1.00 41.25 C +ATOM 1232 O ASP A 235 -42.930 60.728 36.836 1.00 41.89 O +ATOM 1233 CB ASP A 235 -43.519 58.060 36.624 1.00 43.12 C +ATOM 1234 CG ASP A 235 -44.807 58.614 37.215 1.00 43.71 C +ATOM 1235 OD1 ASP A 235 -45.657 59.127 36.456 1.00 46.44 O +ATOM 1236 OD2 ASP A 235 -45.046 58.585 38.437 1.00 44.79 O +ATOM 1237 N GLY A 236 -42.322 61.046 34.692 1.00 39.78 N +ATOM 1238 CA GLY A 236 -42.053 62.466 34.863 1.00 39.26 C +ATOM 1239 C GLY A 236 -40.573 62.833 34.852 1.00 38.74 C +ATOM 1240 O GLY A 236 -40.221 63.931 34.438 1.00 38.05 O +ATOM 1241 N LEU A 237 -39.713 61.927 35.320 1.00 37.70 N +ATOM 1242 CA LEU A 237 -38.265 62.117 35.234 1.00 37.54 C +ATOM 1243 C LEU A 237 -37.773 62.078 33.785 1.00 37.20 C +ATOM 1244 O LEU A 237 -38.446 61.551 32.902 1.00 37.56 O +ATOM 1245 CB LEU A 237 -37.517 61.046 36.048 1.00 37.32 C +ATOM 1246 CG LEU A 237 -37.843 60.896 37.544 1.00 37.56 C +ATOM 1247 CD1 LEU A 237 -36.913 59.868 38.142 1.00 38.19 C +ATOM 1248 CD2 LEU A 237 -37.720 62.210 38.297 1.00 37.71 C +ATOM 1249 N CYS A 238 -36.568 62.602 33.565 1.00 37.40 N +ATOM 1250 CA CYS A 238 -35.956 62.645 32.237 1.00 37.52 C +ATOM 1251 C CYS A 238 -35.776 61.249 31.639 1.00 37.23 C +ATOM 1252 O CYS A 238 -35.826 61.070 30.418 1.00 37.80 O +ATOM 1253 CB CYS A 238 -34.597 63.351 32.302 1.00 38.05 C +ATOM 1254 SG CYS A 238 -33.382 62.560 33.398 1.00 38.27 S +ATOM 1255 N HIS A 239 -35.565 60.268 32.502 1.00 36.96 N +ATOM 1256 CA HIS A 239 -35.319 58.900 32.068 1.00 37.21 C +ATOM 1257 C HIS A 239 -35.508 57.969 33.258 1.00 37.26 C +ATOM 1258 O HIS A 239 -35.358 58.384 34.418 1.00 36.75 O +ATOM 1259 CB HIS A 239 -33.898 58.791 31.497 1.00 38.14 C +ATOM 1260 CG HIS A 239 -33.620 57.524 30.742 1.00 37.70 C +ATOM 1261 ND1 HIS A 239 -33.731 57.434 29.372 1.00 40.09 N +ATOM 1262 CD2 HIS A 239 -33.169 56.318 31.161 1.00 38.04 C +ATOM 1263 CE1 HIS A 239 -33.399 56.214 28.982 1.00 40.76 C +ATOM 1264 NE2 HIS A 239 -33.055 55.515 30.050 1.00 40.63 N +ATOM 1265 N ARG A 240 -35.864 56.718 32.970 1.00 36.63 N +ATOM 1266 CA ARG A 240 -35.924 55.674 33.987 1.00 37.17 C +ATOM 1267 C ARG A 240 -34.540 55.506 34.628 1.00 35.45 C +ATOM 1268 O ARG A 240 -33.535 55.672 33.952 1.00 34.00 O +ATOM 1269 CB ARG A 240 -36.370 54.364 33.332 1.00 38.64 C +ATOM 1270 CG ARG A 240 -36.493 53.182 34.247 1.00 43.16 C +ATOM 1271 CD ARG A 240 -36.928 51.904 33.517 1.00 46.57 C +ATOM 1272 NE ARG A 240 -35.857 51.325 32.699 1.00 48.54 N +ATOM 1273 CZ ARG A 240 -34.793 50.658 33.162 1.00 49.55 C +ATOM 1274 NH1 ARG A 240 -34.603 50.459 34.467 1.00 49.20 N +ATOM 1275 NH2 ARG A 240 -33.901 50.178 32.299 1.00 51.15 N +ATOM 1276 N LEU A 241 -34.485 55.196 35.921 1.00 34.11 N +ATOM 1277 CA LEU A 241 -33.202 54.945 36.591 1.00 33.30 C +ATOM 1278 C LEU A 241 -32.671 53.585 36.144 1.00 34.68 C +ATOM 1279 O LEU A 241 -33.378 52.584 36.230 1.00 33.38 O +ATOM 1280 CB LEU A 241 -33.347 55.001 38.115 1.00 33.10 C +ATOM 1281 CG LEU A 241 -33.939 56.279 38.728 1.00 31.80 C +ATOM 1282 CD1 LEU A 241 -33.934 56.213 40.238 1.00 31.25 C +ATOM 1283 CD2 LEU A 241 -33.203 57.545 38.255 1.00 30.46 C +ATOM 1284 N THR A 242 -31.442 53.557 35.631 1.00 34.29 N +ATOM 1285 CA THR A 242 -30.875 52.331 35.090 1.00 35.40 C +ATOM 1286 C THR A 242 -29.733 51.856 35.959 1.00 36.03 C +ATOM 1287 O THR A 242 -29.848 50.850 36.635 1.00 40.02 O +ATOM 1288 CB THR A 242 -30.418 52.502 33.606 1.00 35.36 C +ATOM 1289 OG1 THR A 242 -29.429 53.534 33.486 1.00 35.15 O +ATOM 1290 CG2 THR A 242 -31.565 52.993 32.736 1.00 34.99 C +ATOM 1291 N THR A 243 -28.638 52.591 35.953 1.00 35.51 N +ATOM 1292 CA THR A 243 -27.383 52.126 36.512 1.00 34.57 C +ATOM 1293 C THR A 243 -27.053 52.942 37.738 1.00 32.59 C +ATOM 1294 O THR A 243 -27.222 54.157 37.727 1.00 29.99 O +ATOM 1295 CB THR A 243 -26.303 52.347 35.464 1.00 35.06 C +ATOM 1296 OG1 THR A 243 -26.777 51.853 34.205 1.00 41.04 O +ATOM 1297 CG2 THR A 243 -25.063 51.556 35.739 1.00 34.95 C +ATOM 1298 N VAL A 244 -26.562 52.287 38.783 1.00 30.25 N +ATOM 1299 CA VAL A 244 -26.016 53.005 39.920 1.00 30.14 C +ATOM 1300 C VAL A 244 -24.682 53.612 39.502 1.00 29.94 C +ATOM 1301 O VAL A 244 -23.841 52.945 38.902 1.00 26.99 O +ATOM 1302 CB VAL A 244 -25.822 52.101 41.145 1.00 31.11 C +ATOM 1303 CG1 VAL A 244 -25.148 52.888 42.246 1.00 32.24 C +ATOM 1304 CG2 VAL A 244 -27.165 51.517 41.604 1.00 30.92 C +ATOM 1305 N CYS A 245 -24.485 54.884 39.821 1.00 29.12 N +ATOM 1306 CA CYS A 245 -23.253 55.583 39.464 1.00 30.43 C +ATOM 1307 C CYS A 245 -22.020 54.821 39.967 1.00 31.82 C +ATOM 1308 O CYS A 245 -21.958 54.520 41.150 1.00 28.31 O +ATOM 1309 CB CYS A 245 -23.262 56.988 40.062 1.00 30.64 C +ATOM 1310 SG CYS A 245 -21.893 57.998 39.474 1.00 31.29 S +ATOM 1311 N PRO A 246 -21.084 54.462 39.079 1.00 33.56 N +ATOM 1312 CA PRO A 246 -19.834 53.826 39.506 1.00 37.06 C +ATOM 1313 C PRO A 246 -18.879 54.803 40.171 1.00 40.20 C +ATOM 1314 O PRO A 246 -18.911 56.019 39.937 1.00 41.34 O +ATOM 1315 CB PRO A 246 -19.207 53.295 38.199 1.00 36.77 C +ATOM 1316 CG PRO A 246 -20.184 53.550 37.120 1.00 35.94 C +ATOM 1317 CD PRO A 246 -21.171 54.559 37.614 1.00 34.66 C +ATOM 1318 N THR A 247 -18.004 54.242 40.992 1.00 43.52 N +ATOM 1319 CA THR A 247 -17.075 55.044 41.765 1.00 45.56 C +ATOM 1320 C THR A 247 -15.775 54.293 42.021 1.00 45.36 C +ATOM 1321 O THR A 247 -15.687 53.083 41.799 1.00 45.43 O +ATOM 1322 CB THR A 247 -17.762 55.481 43.084 1.00 46.49 C +ATOM 1323 OG1 THR A 247 -17.155 56.684 43.578 1.00 50.46 O +ATOM 1324 CG2 THR A 247 -17.578 54.445 44.189 1.00 47.39 C +ATOM 1325 N SER A 248 -14.759 55.029 42.456 1.00 45.51 N +ATOM 1326 CA SER A 248 -13.466 54.434 42.771 1.00 44.78 C +ATOM 1327 C SER A 248 -13.564 53.524 43.996 1.00 42.66 C +ATOM 1328 O SER A 248 -14.183 53.869 44.997 1.00 42.00 O +ATOM 1329 CB SER A 248 -12.423 55.523 43.019 1.00 44.88 C +ATOM 1330 OG SER A 248 -12.234 56.307 41.855 1.00 48.06 O +ATOM 1331 N LYS A 249 -12.963 52.349 43.880 1.00 41.03 N +ATOM 1332 CA LYS A 249 -12.765 51.444 44.998 1.00 40.20 C +ATOM 1333 C LYS A 249 -11.540 51.921 45.800 1.00 38.57 C +ATOM 1334 O LYS A 249 -10.485 52.144 45.216 1.00 37.13 O +ATOM 1335 CB LYS A 249 -12.515 50.051 44.436 1.00 40.72 C +ATOM 1336 CG LYS A 249 -12.441 48.953 45.462 1.00 42.05 C +ATOM 1337 CD LYS A 249 -11.802 47.713 44.868 1.00 43.49 C +ATOM 1338 CE LYS A 249 -12.745 46.995 43.944 1.00 43.29 C +ATOM 1339 NZ LYS A 249 -12.275 45.610 43.705 1.00 42.63 N +ATOM 1340 N PRO A 250 -11.655 52.067 47.119 1.00 36.59 N +ATOM 1341 CA PRO A 250 -10.508 52.494 47.923 1.00 34.91 C +ATOM 1342 C PRO A 250 -9.522 51.344 48.120 1.00 33.25 C +ATOM 1343 O PRO A 250 -9.874 50.167 47.951 1.00 30.90 O +ATOM 1344 CB PRO A 250 -11.145 52.893 49.250 1.00 35.13 C +ATOM 1345 CG PRO A 250 -12.354 52.004 49.376 1.00 35.95 C +ATOM 1346 CD PRO A 250 -12.836 51.788 47.962 1.00 37.13 C +ATOM 1347 N GLN A 251 -8.288 51.685 48.470 1.00 31.07 N +ATOM 1348 CA GLN A 251 -7.296 50.682 48.829 1.00 30.85 C +ATOM 1349 C GLN A 251 -7.674 50.090 50.190 1.00 29.14 C +ATOM 1350 O GLN A 251 -8.292 50.764 51.011 1.00 27.28 O +ATOM 1351 CB GLN A 251 -5.899 51.309 48.904 1.00 32.26 C +ATOM 1352 CG GLN A 251 -5.380 51.831 47.573 1.00 35.62 C +ATOM 1353 CD GLN A 251 -4.151 52.710 47.738 1.00 43.05 C +ATOM 1354 OE1 GLN A 251 -3.297 52.433 48.583 1.00 45.64 O +ATOM 1355 NE2 GLN A 251 -4.064 53.774 46.939 1.00 45.31 N +ATOM 1356 N THR A 252 -7.333 48.826 50.423 1.00 28.26 N +ATOM 1357 CA THR A 252 -7.386 48.290 51.784 1.00 28.47 C +ATOM 1358 C THR A 252 -6.342 48.993 52.652 1.00 29.59 C +ATOM 1359 O THR A 252 -5.393 49.591 52.144 1.00 28.84 O +ATOM 1360 CB THR A 252 -7.144 46.772 51.801 1.00 28.24 C +ATOM 1361 OG1 THR A 252 -5.834 46.476 51.292 1.00 27.26 O +ATOM 1362 CG2 THR A 252 -8.120 46.037 50.866 1.00 27.18 C +ATOM 1363 N GLN A 253 -6.523 48.936 53.965 1.00 31.11 N +ATOM 1364 CA GLN A 253 -5.557 49.502 54.898 1.00 31.95 C +ATOM 1365 C GLN A 253 -4.607 48.364 55.298 1.00 31.59 C +ATOM 1366 O GLN A 253 -4.933 47.537 56.150 1.00 32.09 O +ATOM 1367 CB GLN A 253 -6.278 50.107 56.103 1.00 33.60 C +ATOM 1368 CG GLN A 253 -7.346 51.176 55.742 1.00 38.65 C +ATOM 1369 CD GLN A 253 -8.584 51.181 56.667 1.00 43.65 C +ATOM 1370 OE1 GLN A 253 -9.242 52.207 56.816 1.00 46.82 O +ATOM 1371 NE2 GLN A 253 -8.905 50.036 57.262 1.00 50.33 N +ATOM 1372 N GLY A 254 -3.449 48.303 54.647 1.00 29.25 N +ATOM 1373 CA GLY A 254 -2.538 47.191 54.807 1.00 29.31 C +ATOM 1374 C GLY A 254 -3.033 45.956 54.061 1.00 28.96 C +ATOM 1375 O GLY A 254 -4.163 45.917 53.575 1.00 30.07 O +ATOM 1376 N LEU A 255 -2.177 44.944 53.981 1.00 27.80 N +ATOM 1377 CA LEU A 255 -2.474 43.708 53.271 1.00 27.50 C +ATOM 1378 C LEU A 255 -2.991 42.673 54.242 1.00 24.83 C +ATOM 1379 O LEU A 255 -2.505 42.598 55.354 1.00 23.23 O +ATOM 1380 CB LEU A 255 -1.200 43.111 52.661 1.00 27.53 C +ATOM 1381 CG LEU A 255 -0.553 43.845 51.502 1.00 32.59 C +ATOM 1382 CD1 LEU A 255 0.772 43.168 51.164 1.00 36.08 C +ATOM 1383 CD2 LEU A 255 -1.463 43.860 50.324 1.00 34.84 C +ATOM 1384 N ALA A 256 -3.915 41.841 53.785 1.00 22.52 N +ATOM 1385 CA ALA A 256 -4.278 40.621 54.484 1.00 23.13 C +ATOM 1386 C ALA A 256 -3.043 39.705 54.541 1.00 22.90 C +ATOM 1387 O ALA A 256 -2.233 39.685 53.599 1.00 21.44 O +ATOM 1388 CB ALA A 256 -5.417 39.920 53.787 1.00 23.18 C +ATOM 1389 N LYS A 257 -2.903 39.000 55.664 1.00 22.77 N +ATOM 1390 CA LYS A 257 -1.781 38.095 55.942 1.00 22.64 C +ATOM 1391 C LYS A 257 -2.297 36.746 56.391 1.00 22.57 C +ATOM 1392 O LYS A 257 -3.398 36.655 56.961 1.00 21.78 O +ATOM 1393 CB LYS A 257 -0.897 38.675 57.033 1.00 23.68 C +ATOM 1394 CG LYS A 257 -0.200 39.953 56.628 1.00 25.55 C +ATOM 1395 CD LYS A 257 0.502 40.593 57.795 1.00 29.82 C +ATOM 1396 CE LYS A 257 0.923 42.018 57.465 1.00 30.93 C +ATOM 1397 NZ LYS A 257 1.447 42.673 58.694 1.00 36.03 N +ATOM 1398 N ASP A 258 -1.527 35.685 56.133 1.00 20.46 N +ATOM 1399 CA ASP A 258 -1.946 34.339 56.536 1.00 20.85 C +ATOM 1400 C ASP A 258 -0.782 33.614 57.215 1.00 20.87 C +ATOM 1401 O ASP A 258 0.175 34.251 57.635 1.00 20.62 O +ATOM 1402 CB ASP A 258 -2.554 33.568 55.355 1.00 20.64 C +ATOM 1403 CG ASP A 258 -1.558 33.307 54.211 1.00 22.22 C +ATOM 1404 OD1 ASP A 258 -0.325 33.472 54.397 1.00 19.92 O +ATOM 1405 OD2 ASP A 258 -1.944 32.948 53.069 1.00 23.34 O +ATOM 1406 N ALA A 259 -0.870 32.292 57.342 1.00 21.26 N +ATOM 1407 CA ALA A 259 0.113 31.536 58.102 1.00 21.60 C +ATOM 1408 C ALA A 259 1.469 31.396 57.402 1.00 22.36 C +ATOM 1409 O ALA A 259 2.400 30.914 58.005 1.00 22.08 O +ATOM 1410 CB ALA A 259 -0.441 30.151 58.463 1.00 22.98 C +ATOM 1411 N TRP A 260 1.587 31.832 56.149 1.00 20.54 N +ATOM 1412 CA TRP A 260 2.879 31.874 55.465 1.00 21.49 C +ATOM 1413 C TRP A 260 3.749 33.038 55.933 1.00 22.22 C +ATOM 1414 O TRP A 260 4.933 33.090 55.625 1.00 22.53 O +ATOM 1415 CB TRP A 260 2.662 31.967 53.946 1.00 21.35 C +ATOM 1416 CG TRP A 260 2.110 30.726 53.367 1.00 21.49 C +ATOM 1417 CD1 TRP A 260 0.802 30.393 53.249 1.00 24.33 C +ATOM 1418 CD2 TRP A 260 2.856 29.618 52.841 1.00 24.27 C +ATOM 1419 NE1 TRP A 260 0.677 29.145 52.682 1.00 24.78 N +ATOM 1420 CE2 TRP A 260 1.928 28.647 52.422 1.00 26.17 C +ATOM 1421 CE3 TRP A 260 4.226 29.345 52.692 1.00 23.44 C +ATOM 1422 CZ2 TRP A 260 2.314 27.431 51.826 1.00 27.81 C +ATOM 1423 CZ3 TRP A 260 4.609 28.142 52.107 1.00 25.53 C +ATOM 1424 CH2 TRP A 260 3.657 27.193 51.694 1.00 28.47 C +ATOM 1425 N GLU A 261 3.159 33.997 56.647 1.00 21.86 N +ATOM 1426 CA GLU A 261 3.879 35.154 57.134 1.00 22.50 C +ATOM 1427 C GLU A 261 4.933 34.755 58.170 1.00 24.23 C +ATOM 1428 O GLU A 261 4.672 33.901 59.042 1.00 21.48 O +ATOM 1429 CB GLU A 261 2.902 36.119 57.784 1.00 23.89 C +ATOM 1430 CG GLU A 261 3.449 37.486 58.031 1.00 25.74 C +ATOM 1431 CD GLU A 261 3.525 38.331 56.779 1.00 27.78 C +ATOM 1432 OE1 GLU A 261 2.922 37.961 55.725 1.00 26.49 O +ATOM 1433 OE2 GLU A 261 4.192 39.379 56.876 1.00 24.47 O +ATOM 1434 N ILE A 262 6.117 35.358 58.071 1.00 23.38 N +ATOM 1435 CA ILE A 262 7.172 35.143 59.073 1.00 24.85 C +ATOM 1436 C ILE A 262 7.693 36.479 59.579 1.00 25.19 C +ATOM 1437 O ILE A 262 7.599 37.487 58.873 1.00 24.84 O +ATOM 1438 CB ILE A 262 8.351 34.309 58.507 1.00 24.90 C +ATOM 1439 CG1 ILE A 262 8.936 34.970 57.254 1.00 24.04 C +ATOM 1440 CG2 ILE A 262 7.904 32.856 58.233 1.00 25.07 C +ATOM 1441 CD1 ILE A 262 10.292 34.494 56.906 1.00 26.01 C +ATOM 1442 N PRO A 263 8.258 36.486 60.790 1.00 26.18 N +ATOM 1443 CA PRO A 263 8.991 37.660 61.269 1.00 27.08 C +ATOM 1444 C PRO A 263 10.268 37.865 60.434 1.00 25.03 C +ATOM 1445 O PRO A 263 10.990 36.918 60.181 1.00 23.78 O +ATOM 1446 CB PRO A 263 9.343 37.327 62.734 1.00 28.26 C +ATOM 1447 CG PRO A 263 8.828 35.973 63.023 1.00 29.61 C +ATOM 1448 CD PRO A 263 8.268 35.373 61.756 1.00 27.21 C +ATOM 1449 N ARG A 264 10.532 39.094 60.022 1.00 23.90 N +ATOM 1450 CA ARG A 264 11.697 39.379 59.199 1.00 24.69 C +ATOM 1451 C ARG A 264 13.011 39.088 59.926 1.00 25.41 C +ATOM 1452 O ARG A 264 14.003 38.778 59.283 1.00 25.32 O +ATOM 1453 CB ARG A 264 11.673 40.817 58.692 1.00 25.29 C +ATOM 1454 CG ARG A 264 12.558 41.052 57.482 1.00 26.32 C +ATOM 1455 CD ARG A 264 12.759 42.533 57.172 1.00 27.00 C +ATOM 1456 NE ARG A 264 11.485 43.237 56.997 1.00 25.29 N +ATOM 1457 CZ ARG A 264 10.818 43.344 55.842 1.00 24.95 C +ATOM 1458 NH1 ARG A 264 11.278 42.781 54.745 1.00 27.23 N +ATOM 1459 NH2 ARG A 264 9.678 44.017 55.771 1.00 27.08 N +ATOM 1460 N GLU A 265 12.991 39.133 61.259 1.00 26.51 N +ATOM 1461 CA GLU A 265 14.170 38.844 62.083 1.00 27.78 C +ATOM 1462 C GLU A 265 14.630 37.395 61.977 1.00 27.81 C +ATOM 1463 O GLU A 265 15.766 37.070 62.360 1.00 27.14 O +ATOM 1464 CB GLU A 265 13.898 39.167 63.557 1.00 29.33 C +ATOM 1465 CG GLU A 265 13.749 40.653 63.838 1.00 32.89 C +ATOM 1466 CD GLU A 265 12.328 41.179 63.687 1.00 38.69 C +ATOM 1467 OE1 GLU A 265 11.401 40.416 63.286 1.00 35.47 O +ATOM 1468 OE2 GLU A 265 12.149 42.391 63.961 1.00 43.16 O +ATOM 1469 N SER A 266 13.766 36.524 61.458 1.00 26.25 N +ATOM 1470 CA SER A 266 14.155 35.133 61.187 1.00 27.05 C +ATOM 1471 C SER A 266 15.035 34.983 59.935 1.00 26.97 C +ATOM 1472 O SER A 266 15.508 33.891 59.652 1.00 28.58 O +ATOM 1473 CB SER A 266 12.917 34.236 61.063 1.00 27.56 C +ATOM 1474 OG SER A 266 12.124 34.598 59.943 1.00 27.68 O +ATOM 1475 N LEU A 267 15.269 36.071 59.209 1.00 27.17 N +ATOM 1476 CA LEU A 267 16.092 36.063 57.999 1.00 26.29 C +ATOM 1477 C LEU A 267 17.388 36.869 58.111 1.00 27.31 C +ATOM 1478 O LEU A 267 17.406 37.979 58.647 1.00 26.00 O +ATOM 1479 CB LEU A 267 15.295 36.649 56.845 1.00 26.15 C +ATOM 1480 CG LEU A 267 13.974 35.955 56.528 1.00 24.47 C +ATOM 1481 CD1 LEU A 267 13.160 36.840 55.606 1.00 24.45 C +ATOM 1482 CD2 LEU A 267 14.266 34.594 55.882 1.00 27.76 C +ATOM 1483 N ARG A 268 18.451 36.310 57.540 1.00 27.88 N +ATOM 1484 CA ARG A 268 19.730 36.986 57.355 1.00 29.11 C +ATOM 1485 C ARG A 268 20.055 36.995 55.860 1.00 30.12 C +ATOM 1486 O ARG A 268 20.116 35.928 55.245 1.00 29.24 O +ATOM 1487 CB ARG A 268 20.823 36.238 58.117 1.00 29.88 C +ATOM 1488 CG ARG A 268 22.223 36.790 57.929 1.00 34.52 C +ATOM 1489 CD ARG A 268 23.258 36.166 58.874 1.00 39.96 C +ATOM 1490 NE ARG A 268 24.031 35.119 58.218 1.00 47.01 N +ATOM 1491 CZ ARG A 268 24.778 34.216 58.856 1.00 52.55 C +ATOM 1492 NH1 ARG A 268 24.869 34.211 60.189 1.00 54.70 N +ATOM 1493 NH2 ARG A 268 25.446 33.308 58.153 1.00 54.02 N +ATOM 1494 N LEU A 269 20.212 38.186 55.280 1.00 30.25 N +ATOM 1495 CA LEU A 269 20.660 38.346 53.893 1.00 32.46 C +ATOM 1496 C LEU A 269 22.167 38.185 53.822 1.00 32.90 C +ATOM 1497 O LEU A 269 22.887 38.818 54.590 1.00 32.63 O +ATOM 1498 CB LEU A 269 20.349 39.754 53.385 1.00 33.44 C +ATOM 1499 CG LEU A 269 18.930 40.281 53.402 1.00 37.36 C +ATOM 1500 CD1 LEU A 269 18.897 41.655 52.721 1.00 39.77 C +ATOM 1501 CD2 LEU A 269 18.002 39.338 52.734 1.00 35.62 C +ATOM 1502 N GLU A 270 22.651 37.380 52.883 1.00 31.87 N +ATOM 1503 CA GLU A 270 24.079 37.086 52.802 1.00 32.19 C +ATOM 1504 C GLU A 270 24.732 37.527 51.509 1.00 31.31 C +ATOM 1505 O GLU A 270 25.700 38.293 51.527 1.00 29.84 O +ATOM 1506 CB GLU A 270 24.327 35.608 53.059 1.00 32.73 C +ATOM 1507 CG GLU A 270 23.920 35.233 54.472 1.00 37.21 C +ATOM 1508 CD GLU A 270 24.002 33.757 54.760 1.00 42.20 C +ATOM 1509 OE1 GLU A 270 24.527 33.008 53.910 1.00 44.57 O +ATOM 1510 OE2 GLU A 270 23.530 33.354 55.847 1.00 45.59 O +ATOM 1511 N VAL A 271 24.230 37.045 50.387 1.00 28.24 N +ATOM 1512 CA VAL A 271 24.843 37.334 49.106 1.00 28.24 C +ATOM 1513 C VAL A 271 23.782 37.857 48.163 1.00 26.99 C +ATOM 1514 O VAL A 271 22.757 37.216 47.972 1.00 25.51 O +ATOM 1515 CB VAL A 271 25.476 36.063 48.501 1.00 28.91 C +ATOM 1516 CG1 VAL A 271 26.035 36.355 47.120 1.00 30.52 C +ATOM 1517 CG2 VAL A 271 26.556 35.497 49.426 1.00 31.41 C +ATOM 1518 N LYS A 272 24.022 39.010 47.565 1.00 25.64 N +ATOM 1519 CA LYS A 272 23.119 39.540 46.558 1.00 26.99 C +ATOM 1520 C LYS A 272 23.357 38.855 45.205 1.00 28.16 C +ATOM 1521 O LYS A 272 24.459 38.904 44.643 1.00 25.45 O +ATOM 1522 CB LYS A 272 23.280 41.042 46.426 1.00 28.61 C +ATOM 1523 CG LYS A 272 22.224 41.698 45.569 1.00 30.31 C +ATOM 1524 CD LYS A 272 22.251 43.207 45.746 1.00 37.79 C +ATOM 1525 CE LYS A 272 21.868 43.938 44.477 1.00 41.65 C +ATOM 1526 NZ LYS A 272 22.315 45.370 44.536 1.00 43.84 N +ATOM 1527 N LEU A 273 22.319 38.200 44.703 1.00 26.43 N +ATOM 1528 CA LEU A 273 22.407 37.401 43.484 1.00 28.47 C +ATOM 1529 C LEU A 273 22.114 38.245 42.261 1.00 30.04 C +ATOM 1530 O LEU A 273 22.687 38.019 41.191 1.00 29.82 O +ATOM 1531 CB LEU A 273 21.431 36.226 43.539 1.00 28.69 C +ATOM 1532 CG LEU A 273 21.627 35.276 44.716 1.00 29.39 C +ATOM 1533 CD1 LEU A 273 20.493 34.264 44.793 1.00 30.25 C +ATOM 1534 CD2 LEU A 273 22.962 34.581 44.632 1.00 31.41 C +ATOM 1535 N GLY A 274 21.250 39.238 42.418 1.00 29.01 N +ATOM 1536 CA GLY A 274 20.946 40.143 41.323 1.00 29.92 C +ATOM 1537 C GLY A 274 19.967 41.246 41.672 1.00 30.86 C +ATOM 1538 O GLY A 274 19.427 41.297 42.777 1.00 26.89 O +ATOM 1539 N GLN A 275 19.740 42.130 40.706 1.00 31.86 N +ATOM 1540 CA GLN A 275 18.833 43.254 40.873 1.00 33.47 C +ATOM 1541 C GLN A 275 18.324 43.790 39.539 1.00 34.18 C +ATOM 1542 O GLN A 275 18.934 43.581 38.476 1.00 33.34 O +ATOM 1543 CB GLN A 275 19.517 44.378 41.653 1.00 34.45 C +ATOM 1544 CG GLN A 275 20.604 45.132 40.875 1.00 37.86 C +ATOM 1545 CD GLN A 275 21.511 45.956 41.768 1.00 43.90 C +ATOM 1546 OE1 GLN A 275 22.677 45.604 41.968 1.00 50.31 O +ATOM 1547 NE2 GLN A 275 20.992 47.060 42.295 1.00 44.80 N +ATOM 1548 N GLY A 276 17.218 44.514 39.617 1.00 33.95 N +ATOM 1549 CA GLY A 276 16.536 45.040 38.446 1.00 34.63 C +ATOM 1550 C GLY A 276 15.552 46.127 38.847 1.00 34.64 C +ATOM 1551 O GLY A 276 15.582 46.641 39.974 1.00 34.34 O +ATOM 1552 N CYS A 277 14.660 46.463 37.925 1.00 34.60 N +ATOM 1553 CA CYS A 277 13.762 47.601 38.098 1.00 36.22 C +ATOM 1554 C CYS A 277 12.796 47.432 39.271 1.00 33.50 C +ATOM 1555 O CYS A 277 12.406 48.424 39.881 1.00 33.72 O +ATOM 1556 CB CYS A 277 12.972 47.853 36.811 1.00 36.69 C +ATOM 1557 SG CYS A 277 14.037 48.424 35.472 1.00 48.22 S +ATOM 1558 N PHE A 278 12.439 46.187 39.590 1.00 31.55 N +ATOM 1559 CA PHE A 278 11.416 45.892 40.616 1.00 31.35 C +ATOM 1560 C PHE A 278 11.957 45.386 41.942 1.00 29.68 C +ATOM 1561 O PHE A 278 11.187 45.154 42.856 1.00 25.86 O +ATOM 1562 CB PHE A 278 10.390 44.900 40.068 1.00 32.29 C +ATOM 1563 CG PHE A 278 9.698 45.390 38.828 1.00 36.10 C +ATOM 1564 CD1 PHE A 278 8.643 46.292 38.917 1.00 38.67 C +ATOM 1565 CD2 PHE A 278 10.132 44.987 37.570 1.00 39.13 C +ATOM 1566 CE1 PHE A 278 8.010 46.772 37.765 1.00 40.28 C +ATOM 1567 CE2 PHE A 278 9.510 45.463 36.412 1.00 41.38 C +ATOM 1568 CZ PHE A 278 8.449 46.356 36.511 1.00 41.83 C +ATOM 1569 N GLY A 279 13.275 45.236 42.059 1.00 28.79 N +ATOM 1570 CA GLY A 279 13.881 44.823 43.316 1.00 28.37 C +ATOM 1571 C GLY A 279 15.119 43.976 43.158 1.00 27.95 C +ATOM 1572 O GLY A 279 15.835 44.096 42.163 1.00 27.01 O +ATOM 1573 N GLU A 280 15.371 43.133 44.157 1.00 26.66 N +ATOM 1574 CA GLU A 280 16.604 42.353 44.271 1.00 26.62 C +ATOM 1575 C GLU A 280 16.322 40.882 44.597 1.00 25.81 C +ATOM 1576 O GLU A 280 15.204 40.517 45.013 1.00 23.73 O +ATOM 1577 CB GLU A 280 17.519 42.985 45.347 1.00 27.75 C +ATOM 1578 CG GLU A 280 17.718 44.499 45.180 1.00 29.18 C +ATOM 1579 CD GLU A 280 18.827 45.120 46.053 1.00 33.22 C +ATOM 1580 OE1 GLU A 280 18.919 44.775 47.240 1.00 30.91 O +ATOM 1581 OE2 GLU A 280 19.606 45.982 45.555 1.00 34.59 O +ATOM 1582 N VAL A 281 17.328 40.038 44.410 1.00 23.86 N +ATOM 1583 CA VAL A 281 17.275 38.663 44.884 1.00 24.42 C +ATOM 1584 C VAL A 281 18.535 38.338 45.688 1.00 23.76 C +ATOM 1585 O VAL A 281 19.656 38.589 45.225 1.00 23.13 O +ATOM 1586 CB VAL A 281 17.123 37.653 43.729 1.00 25.23 C +ATOM 1587 CG1 VAL A 281 16.805 36.271 44.270 1.00 27.28 C +ATOM 1588 CG2 VAL A 281 16.033 38.086 42.764 1.00 29.46 C +ATOM 1589 N TRP A 282 18.354 37.772 46.874 1.00 22.76 N +ATOM 1590 CA TRP A 282 19.456 37.403 47.753 1.00 23.48 C +ATOM 1591 C TRP A 282 19.461 35.934 48.118 1.00 24.01 C +ATOM 1592 O TRP A 282 18.413 35.267 48.151 1.00 23.98 O +ATOM 1593 CB TRP A 282 19.362 38.182 49.063 1.00 23.08 C +ATOM 1594 CG TRP A 282 19.579 39.619 48.934 1.00 25.37 C +ATOM 1595 CD1 TRP A 282 18.726 40.539 48.386 1.00 27.49 C +ATOM 1596 CD2 TRP A 282 20.729 40.345 49.367 1.00 24.87 C +ATOM 1597 NE1 TRP A 282 19.280 41.794 48.454 1.00 27.90 N +ATOM 1598 CE2 TRP A 282 20.513 41.702 49.051 1.00 27.78 C +ATOM 1599 CE3 TRP A 282 21.927 39.986 49.997 1.00 26.97 C +ATOM 1600 CZ2 TRP A 282 21.444 42.700 49.355 1.00 29.49 C +ATOM 1601 CZ3 TRP A 282 22.854 40.985 50.303 1.00 28.59 C +ATOM 1602 CH2 TRP A 282 22.608 42.318 49.971 1.00 27.54 C +ATOM 1603 N MET A 283 20.648 35.427 48.407 1.00 22.67 N +ATOM 1604 CA MET A 283 20.800 34.180 49.116 1.00 24.47 C +ATOM 1605 C MET A 283 20.946 34.535 50.583 1.00 23.77 C +ATOM 1606 O MET A 283 21.664 35.478 50.949 1.00 24.10 O +ATOM 1607 CB MET A 283 22.033 33.415 48.637 1.00 25.25 C +ATOM 1608 CG MET A 283 22.104 32.014 49.175 1.00 31.33 C +ATOM 1609 SD MET A 283 23.584 31.682 50.119 1.00 51.30 S +ATOM 1610 CE MET A 283 22.951 31.963 51.674 1.00 42.71 C +ATOM 1611 N GLY A 284 20.299 33.756 51.432 1.00 23.72 N +ATOM 1612 CA GLY A 284 20.313 34.015 52.858 1.00 24.94 C +ATOM 1613 C GLY A 284 20.028 32.788 53.682 1.00 25.19 C +ATOM 1614 O GLY A 284 19.997 31.672 53.172 1.00 24.78 O +ATOM 1615 N THR A 285 19.802 33.020 54.965 1.00 26.80 N +ATOM 1616 CA THR A 285 19.513 31.982 55.931 1.00 27.96 C +ATOM 1617 C THR A 285 18.226 32.297 56.684 1.00 28.40 C +ATOM 1618 O THR A 285 17.965 33.449 57.056 1.00 27.37 O +ATOM 1619 CB THR A 285 20.716 31.864 56.899 1.00 29.52 C +ATOM 1620 OG1 THR A 285 21.896 31.556 56.138 1.00 30.54 O +ATOM 1621 CG2 THR A 285 20.559 30.690 57.837 1.00 31.89 C +ATOM 1622 N TRP A 286 17.435 31.257 56.917 1.00 26.98 N +ATOM 1623 CA TRP A 286 16.146 31.355 57.575 1.00 27.80 C +ATOM 1624 C TRP A 286 16.196 30.500 58.840 1.00 29.18 C +ATOM 1625 O TRP A 286 16.632 29.350 58.788 1.00 29.08 O +ATOM 1626 CB TRP A 286 15.064 30.848 56.631 1.00 28.35 C +ATOM 1627 CG TRP A 286 13.689 30.871 57.162 1.00 28.31 C +ATOM 1628 CD1 TRP A 286 13.144 31.787 58.014 1.00 29.14 C +ATOM 1629 CD2 TRP A 286 12.654 29.933 56.868 1.00 29.04 C +ATOM 1630 NE1 TRP A 286 11.831 31.471 58.270 1.00 30.24 N +ATOM 1631 CE2 TRP A 286 11.506 30.335 57.576 1.00 29.13 C +ATOM 1632 CE3 TRP A 286 12.578 28.781 56.069 1.00 30.65 C +ATOM 1633 CZ2 TRP A 286 10.297 29.634 57.507 1.00 30.93 C +ATOM 1634 CZ3 TRP A 286 11.382 28.081 56.017 1.00 29.52 C +ATOM 1635 CH2 TRP A 286 10.261 28.512 56.727 1.00 30.27 C +ATOM 1636 N ASN A 287 15.766 31.072 59.965 1.00 29.74 N +ATOM 1637 CA ASN A 287 15.756 30.406 61.272 1.00 32.13 C +ATOM 1638 C ASN A 287 17.135 29.871 61.690 1.00 33.61 C +ATOM 1639 O ASN A 287 17.225 28.868 62.398 1.00 34.99 O +ATOM 1640 CB ASN A 287 14.724 29.260 61.298 1.00 32.13 C +ATOM 1641 CG ASN A 287 13.295 29.735 61.053 1.00 34.42 C +ATOM 1642 OD1 ASN A 287 12.843 30.736 61.620 1.00 34.73 O +ATOM 1643 ND2 ASN A 287 12.570 28.997 60.214 1.00 37.80 N +ATOM 1644 N GLY A 288 18.198 30.512 61.205 1.00 34.64 N +ATOM 1645 CA GLY A 288 19.566 30.151 61.544 1.00 35.06 C +ATOM 1646 C GLY A 288 20.060 28.825 60.989 1.00 36.17 C +ATOM 1647 O GLY A 288 21.203 28.444 61.249 1.00 37.12 O +ATOM 1648 N THR A 289 19.233 28.139 60.202 1.00 36.17 N +ATOM 1649 CA THR A 289 19.538 26.784 59.753 1.00 37.19 C +ATOM 1650 C THR A 289 19.308 26.486 58.265 1.00 36.11 C +ATOM 1651 O THR A 289 19.928 25.565 57.719 1.00 37.51 O +ATOM 1652 CB THR A 289 18.719 25.769 60.584 1.00 37.77 C +ATOM 1653 OG1 THR A 289 18.900 24.455 60.048 1.00 42.92 O +ATOM 1654 CG2 THR A 289 17.228 25.991 60.440 1.00 37.29 C +ATOM 1655 N THR A 290 18.401 27.211 57.620 1.00 33.41 N +ATOM 1656 CA THR A 290 17.936 26.837 56.288 1.00 32.54 C +ATOM 1657 C THR A 290 18.394 27.842 55.243 1.00 30.80 C +ATOM 1658 O THR A 290 18.074 29.017 55.343 1.00 29.21 O +ATOM 1659 CB THR A 290 16.393 26.763 56.296 1.00 33.07 C +ATOM 1660 OG1 THR A 290 15.961 25.872 57.330 1.00 33.74 O +ATOM 1661 CG2 THR A 290 15.848 26.149 55.015 1.00 32.33 C +ATOM 1662 N ARG A 291 19.118 27.376 54.229 1.00 29.29 N +ATOM 1663 CA ARG A 291 19.492 28.222 53.100 1.00 28.46 C +ATOM 1664 C ARG A 291 18.264 28.548 52.238 1.00 26.73 C +ATOM 1665 O ARG A 291 17.485 27.658 51.921 1.00 26.62 O +ATOM 1666 CB ARG A 291 20.535 27.538 52.229 1.00 29.22 C +ATOM 1667 CG ARG A 291 21.140 28.487 51.225 1.00 32.57 C +ATOM 1668 CD ARG A 291 22.471 28.023 50.681 1.00 38.07 C +ATOM 1669 NE ARG A 291 23.588 28.503 51.484 1.00 40.93 N +ATOM 1670 CZ ARG A 291 24.868 28.321 51.157 1.00 44.51 C +ATOM 1671 NH1 ARG A 291 25.196 27.664 50.039 1.00 45.58 N +ATOM 1672 NH2 ARG A 291 25.823 28.798 51.946 1.00 43.02 N +ATOM 1673 N VAL A 292 18.106 29.823 51.874 1.00 24.19 N +ATOM 1674 CA VAL A 292 16.936 30.292 51.136 1.00 22.68 C +ATOM 1675 C VAL A 292 17.319 31.332 50.105 1.00 22.78 C +ATOM 1676 O VAL A 292 18.386 31.937 50.178 1.00 21.97 O +ATOM 1677 CB VAL A 292 15.873 30.953 52.064 1.00 22.13 C +ATOM 1678 CG1 VAL A 292 15.293 29.932 53.011 1.00 22.39 C +ATOM 1679 CG2 VAL A 292 16.469 32.132 52.816 1.00 23.00 C +ATOM 1680 N ALA A 293 16.437 31.525 49.139 1.00 21.20 N +ATOM 1681 CA ALA A 293 16.472 32.667 48.261 1.00 20.27 C +ATOM 1682 C ALA A 293 15.403 33.643 48.729 1.00 21.62 C +ATOM 1683 O ALA A 293 14.306 33.234 49.106 1.00 20.91 O +ATOM 1684 CB ALA A 293 16.236 32.249 46.838 1.00 21.30 C +ATOM 1685 N ILE A 294 15.735 34.930 48.710 1.00 21.16 N +ATOM 1686 CA ILE A 294 14.847 35.988 49.172 1.00 21.31 C +ATOM 1687 C ILE A 294 14.667 36.990 48.050 1.00 21.71 C +ATOM 1688 O ILE A 294 15.619 37.686 47.640 1.00 22.40 O +ATOM 1689 CB ILE A 294 15.393 36.683 50.422 1.00 21.68 C +ATOM 1690 CG1 ILE A 294 15.596 35.665 51.552 1.00 23.90 C +ATOM 1691 CG2 ILE A 294 14.423 37.779 50.868 1.00 21.95 C +ATOM 1692 CD1 ILE A 294 16.449 36.115 52.670 1.00 29.74 C +ATOM 1693 N LYS A 295 13.468 37.045 47.504 1.00 20.39 N +ATOM 1694 CA LYS A 295 13.154 38.023 46.477 1.00 21.03 C +ATOM 1695 C LYS A 295 12.509 39.235 47.164 1.00 22.29 C +ATOM 1696 O LYS A 295 11.562 39.075 47.927 1.00 22.95 O +ATOM 1697 CB LYS A 295 12.226 37.403 45.429 1.00 21.93 C +ATOM 1698 CG LYS A 295 11.937 38.313 44.260 1.00 27.36 C +ATOM 1699 CD LYS A 295 11.065 37.633 43.217 1.00 32.17 C +ATOM 1700 CE LYS A 295 10.830 38.540 42.006 1.00 35.92 C +ATOM 1701 NZ LYS A 295 9.948 37.827 41.012 1.00 37.41 N +ATOM 1702 N THR A 296 13.033 40.434 46.894 1.00 23.26 N +ATOM 1703 CA THR A 296 12.609 41.673 47.532 1.00 23.56 C +ATOM 1704 C THR A 296 11.973 42.628 46.525 1.00 25.07 C +ATOM 1705 O THR A 296 12.401 42.714 45.365 1.00 27.66 O +ATOM 1706 CB THR A 296 13.802 42.389 48.241 1.00 23.84 C +ATOM 1707 OG1 THR A 296 14.691 42.956 47.270 1.00 25.07 O +ATOM 1708 CG2 THR A 296 14.668 41.402 49.017 1.00 23.29 C +ATOM 1709 N LEU A 297 10.955 43.358 46.974 1.00 24.40 N +ATOM 1710 CA LEU A 297 10.255 44.325 46.133 1.00 23.07 C +ATOM 1711 C LEU A 297 10.764 45.729 46.434 1.00 23.34 C +ATOM 1712 O LEU A 297 10.734 46.181 47.577 1.00 21.47 O +ATOM 1713 CB LEU A 297 8.743 44.268 46.386 1.00 23.39 C +ATOM 1714 CG LEU A 297 7.881 45.385 45.774 1.00 23.30 C +ATOM 1715 CD1 LEU A 297 7.907 45.304 44.275 1.00 24.17 C +ATOM 1716 CD2 LEU A 297 6.462 45.313 46.289 1.00 25.88 C +ATOM 1717 N LYS A 298 11.194 46.435 45.395 1.00 24.14 N +ATOM 1718 CA LYS A 298 11.559 47.835 45.526 1.00 25.07 C +ATOM 1719 C LYS A 298 10.277 48.668 45.636 1.00 24.91 C +ATOM 1720 O LYS A 298 9.454 48.644 44.710 1.00 24.48 O +ATOM 1721 CB LYS A 298 12.364 48.270 44.301 1.00 25.87 C +ATOM 1722 CG LYS A 298 12.977 49.645 44.415 1.00 28.10 C +ATOM 1723 CD LYS A 298 13.835 49.965 43.171 1.00 32.64 C +ATOM 1724 CE LYS A 298 13.720 51.427 42.786 1.00 36.80 C +ATOM 1725 NZ LYS A 298 14.585 51.760 41.611 1.00 39.42 N +ATOM 1726 N PRO A 299 10.092 49.402 46.732 1.00 26.34 N +ATOM 1727 CA PRO A 299 8.902 50.246 46.886 1.00 28.84 C +ATOM 1728 C PRO A 299 8.731 51.249 45.754 1.00 30.66 C +ATOM 1729 O PRO A 299 9.708 51.647 45.120 1.00 30.91 O +ATOM 1730 CB PRO A 299 9.149 50.978 48.211 1.00 29.31 C +ATOM 1731 CG PRO A 299 10.086 50.120 48.957 1.00 28.61 C +ATOM 1732 CD PRO A 299 10.970 49.486 47.915 1.00 28.10 C +ATOM 1733 N GLY A 300 7.486 51.615 45.483 1.00 32.77 N +ATOM 1734 CA GLY A 300 7.189 52.594 44.453 1.00 34.45 C +ATOM 1735 C GLY A 300 7.226 52.061 43.033 1.00 35.44 C +ATOM 1736 O GLY A 300 7.140 52.861 42.090 1.00 37.38 O +ATOM 1737 N THR A 301 7.413 50.750 42.869 1.00 34.79 N +ATOM 1738 CA THR A 301 7.343 50.107 41.561 1.00 35.27 C +ATOM 1739 C THR A 301 5.978 49.373 41.520 1.00 36.06 C +ATOM 1740 O THR A 301 4.946 50.046 41.604 1.00 38.85 O +ATOM 1741 CB THR A 301 8.619 49.248 41.262 1.00 35.09 C +ATOM 1742 OG1 THR A 301 8.772 48.160 42.184 1.00 33.47 O +ATOM 1743 CG2 THR A 301 9.908 50.087 41.482 1.00 35.38 C +ATOM 1744 N MET A 302 5.916 48.051 41.455 1.00 35.02 N +ATOM 1745 CA MET A 302 4.597 47.400 41.410 1.00 33.92 C +ATOM 1746 C MET A 302 3.933 47.345 42.796 1.00 31.97 C +ATOM 1747 O MET A 302 4.597 47.522 43.821 1.00 29.27 O +ATOM 1748 CB MET A 302 4.681 46.013 40.772 1.00 35.39 C +ATOM 1749 CG MET A 302 5.431 44.972 41.571 1.00 38.97 C +ATOM 1750 SD MET A 302 5.519 43.329 40.768 1.00 45.33 S +ATOM 1751 CE MET A 302 4.051 43.131 40.154 1.00 46.34 C +ATOM 1752 N SER A 303 2.618 47.127 42.831 1.00 29.28 N +ATOM 1753 CA SER A 303 1.910 47.060 44.107 1.00 29.18 C +ATOM 1754 C SER A 303 2.378 45.817 44.868 1.00 27.89 C +ATOM 1755 O SER A 303 2.748 44.830 44.264 1.00 25.86 O +ATOM 1756 CB SER A 303 0.395 46.994 43.920 1.00 29.78 C +ATOM 1757 OG SER A 303 0.035 45.785 43.280 1.00 31.62 O +ATOM 1758 N PRO A 304 2.407 45.885 46.190 1.00 28.06 N +ATOM 1759 CA PRO A 304 2.642 44.690 47.007 1.00 27.14 C +ATOM 1760 C PRO A 304 1.737 43.505 46.627 1.00 26.47 C +ATOM 1761 O PRO A 304 2.231 42.381 46.583 1.00 23.83 O +ATOM 1762 CB PRO A 304 2.347 45.189 48.410 1.00 28.61 C +ATOM 1763 CG PRO A 304 2.767 46.635 48.378 1.00 29.77 C +ATOM 1764 CD PRO A 304 2.345 47.110 47.010 1.00 29.11 C +ATOM 1765 N GLU A 305 0.466 43.775 46.318 1.00 26.61 N +ATOM 1766 CA GLU A 305 -0.494 42.734 45.925 1.00 27.51 C +ATOM 1767 C GLU A 305 -0.068 42.065 44.638 1.00 27.12 C +ATOM 1768 O GLU A 305 -0.052 40.848 44.556 1.00 24.29 O +ATOM 1769 CB GLU A 305 -1.923 43.305 45.767 1.00 28.80 C +ATOM 1770 CG GLU A 305 -2.580 43.729 47.077 1.00 30.40 C +ATOM 1771 CD GLU A 305 -2.346 45.185 47.474 1.00 34.88 C +ATOM 1772 OE1 GLU A 305 -1.438 45.869 46.915 1.00 34.08 O +ATOM 1773 OE2 GLU A 305 -3.078 45.652 48.375 1.00 33.81 O +ATOM 1774 N ALA A 306 0.317 42.860 43.639 1.00 27.17 N +ATOM 1775 CA ALA A 306 0.768 42.297 42.376 1.00 27.37 C +ATOM 1776 C ALA A 306 2.040 41.479 42.556 1.00 26.79 C +ATOM 1777 O ALA A 306 2.172 40.405 41.979 1.00 26.07 O +ATOM 1778 CB ALA A 306 0.966 43.412 41.315 1.00 28.50 C +ATOM 1779 N PHE A 307 2.963 41.975 43.382 1.00 25.40 N +ATOM 1780 CA PHE A 307 4.212 41.273 43.668 1.00 24.65 C +ATOM 1781 C PHE A 307 3.931 39.916 44.306 1.00 24.17 C +ATOM 1782 O PHE A 307 4.550 38.910 43.961 1.00 24.53 O +ATOM 1783 CB PHE A 307 5.076 42.110 44.623 1.00 24.56 C +ATOM 1784 CG PHE A 307 6.415 41.503 44.962 1.00 24.51 C +ATOM 1785 CD1 PHE A 307 7.464 41.528 44.058 1.00 27.42 C +ATOM 1786 CD2 PHE A 307 6.645 40.976 46.217 1.00 24.95 C +ATOM 1787 CE1 PHE A 307 8.709 40.995 44.405 1.00 28.84 C +ATOM 1788 CE2 PHE A 307 7.878 40.443 46.561 1.00 27.16 C +ATOM 1789 CZ PHE A 307 8.905 40.449 45.647 1.00 26.97 C +ATOM 1790 N LEU A 308 3.023 39.898 45.265 1.00 24.07 N +ATOM 1791 CA LEU A 308 2.716 38.669 46.006 1.00 24.55 C +ATOM 1792 C LEU A 308 1.814 37.677 45.240 1.00 26.73 C +ATOM 1793 O LEU A 308 1.595 36.565 45.712 1.00 25.65 O +ATOM 1794 CB LEU A 308 2.075 39.020 47.351 1.00 24.31 C +ATOM 1795 CG LEU A 308 3.083 39.679 48.305 1.00 21.79 C +ATOM 1796 CD1 LEU A 308 2.406 40.217 49.566 1.00 23.59 C +ATOM 1797 CD2 LEU A 308 4.151 38.672 48.650 1.00 23.88 C +ATOM 1798 N GLN A 309 1.302 38.067 44.071 1.00 27.60 N +ATOM 1799 CA GLN A 309 0.532 37.137 43.221 1.00 29.40 C +ATOM 1800 C GLN A 309 1.356 35.888 42.965 1.00 27.66 C +ATOM 1801 O GLN A 309 0.847 34.774 42.939 1.00 26.81 O +ATOM 1802 CB GLN A 309 0.118 37.803 41.885 1.00 30.33 C +ATOM 1803 CG GLN A 309 -1.127 38.690 42.008 1.00 35.07 C +ATOM 1804 CD GLN A 309 -1.534 39.422 40.717 1.00 39.26 C +ATOM 1805 OE1 GLN A 309 -0.813 39.410 39.722 1.00 40.20 O +ATOM 1806 NE2 GLN A 309 -2.690 40.074 40.756 1.00 44.46 N +ATOM 1807 N GLU A 310 2.652 36.087 42.798 1.00 27.92 N +ATOM 1808 CA GLU A 310 3.595 35.018 42.624 1.00 27.60 C +ATOM 1809 C GLU A 310 3.594 34.008 43.772 1.00 27.85 C +ATOM 1810 O GLU A 310 3.616 32.797 43.538 1.00 27.76 O +ATOM 1811 CB GLU A 310 4.987 35.636 42.430 1.00 30.44 C +ATOM 1812 CG GLU A 310 6.105 34.642 42.280 1.00 32.61 C +ATOM 1813 CD GLU A 310 7.472 35.318 42.078 1.00 37.00 C +ATOM 1814 OE1 GLU A 310 7.550 36.512 41.691 1.00 33.93 O +ATOM 1815 OE2 GLU A 310 8.481 34.639 42.321 1.00 41.64 O +ATOM 1816 N ALA A 311 3.561 34.500 45.012 1.00 26.39 N +ATOM 1817 CA ALA A 311 3.473 33.629 46.179 1.00 25.64 C +ATOM 1818 C ALA A 311 2.117 32.937 46.266 1.00 25.00 C +ATOM 1819 O ALA A 311 2.065 31.794 46.650 1.00 24.97 O +ATOM 1820 CB ALA A 311 3.768 34.426 47.490 1.00 25.91 C +ATOM 1821 N GLN A 312 1.031 33.632 45.937 1.00 26.20 N +ATOM 1822 CA GLN A 312 -0.295 33.019 45.935 1.00 27.65 C +ATOM 1823 C GLN A 312 -0.336 31.760 45.046 1.00 28.09 C +ATOM 1824 O GLN A 312 -0.873 30.718 45.433 1.00 26.97 O +ATOM 1825 CB GLN A 312 -1.370 34.018 45.485 1.00 29.80 C +ATOM 1826 CG GLN A 312 -2.751 33.390 45.416 1.00 34.73 C +ATOM 1827 CD GLN A 312 -3.864 34.398 45.262 1.00 40.46 C +ATOM 1828 OE1 GLN A 312 -3.634 35.519 44.818 1.00 44.87 O +ATOM 1829 NE2 GLN A 312 -5.082 33.997 45.633 1.00 44.55 N +ATOM 1830 N VAL A 313 0.261 31.857 43.863 1.00 26.97 N +ATOM 1831 CA VAL A 313 0.355 30.722 42.947 1.00 26.08 C +ATOM 1832 C VAL A 313 1.186 29.585 43.547 1.00 24.33 C +ATOM 1833 O VAL A 313 0.792 28.433 43.499 1.00 23.44 O +ATOM 1834 CB VAL A 313 1.000 31.148 41.608 1.00 25.71 C +ATOM 1835 CG1 VAL A 313 1.307 29.925 40.763 1.00 28.89 C +ATOM 1836 CG2 VAL A 313 0.090 32.122 40.855 1.00 27.74 C +ATOM 1837 N MET A 314 2.342 29.910 44.118 1.00 24.78 N +ATOM 1838 CA MET A 314 3.225 28.910 44.704 1.00 24.13 C +ATOM 1839 C MET A 314 2.658 28.234 45.965 1.00 24.04 C +ATOM 1840 O MET A 314 3.034 27.113 46.281 1.00 23.37 O +ATOM 1841 CB MET A 314 4.619 29.505 44.993 1.00 25.33 C +ATOM 1842 CG MET A 314 5.334 30.088 43.751 1.00 27.46 C +ATOM 1843 SD MET A 314 6.842 31.055 44.183 1.00 36.20 S +ATOM 1844 CE MET A 314 7.754 29.599 44.658 1.00 24.18 C +ATOM 1845 N LYS A 315 1.717 28.871 46.667 1.00 24.04 N +ATOM 1846 CA LYS A 315 1.069 28.203 47.795 1.00 24.20 C +ATOM 1847 C LYS A 315 0.235 27.012 47.329 1.00 25.92 C +ATOM 1848 O LYS A 315 0.039 26.060 48.072 1.00 25.90 O +ATOM 1849 CB LYS A 315 0.148 29.170 48.548 1.00 24.85 C +ATOM 1850 CG LYS A 315 0.880 30.278 49.290 1.00 23.34 C +ATOM 1851 CD LYS A 315 -0.083 31.288 49.854 1.00 25.43 C +ATOM 1852 CE LYS A 315 0.561 32.577 50.340 1.00 26.43 C +ATOM 1853 NZ LYS A 315 -0.521 33.539 50.769 1.00 26.64 N +ATOM 1854 N LYS A 316 -0.293 27.106 46.111 1.00 24.66 N +ATOM 1855 CA LYS A 316 -1.144 26.081 45.524 1.00 27.84 C +ATOM 1856 C LYS A 316 -0.395 25.013 44.698 1.00 28.06 C +ATOM 1857 O LYS A 316 -0.818 23.870 44.630 1.00 27.06 O +ATOM 1858 CB LYS A 316 -2.183 26.766 44.625 1.00 28.17 C +ATOM 1859 CG LYS A 316 -3.272 25.818 44.104 1.00 36.05 C +ATOM 1860 CD LYS A 316 -4.272 25.431 45.198 1.00 41.96 C +ATOM 1861 CE LYS A 316 -5.270 24.392 44.702 1.00 44.65 C +ATOM 1862 NZ LYS A 316 -6.397 24.258 45.668 1.00 48.88 N +ATOM 1863 N LEU A 317 0.700 25.388 44.056 1.00 29.40 N +ATOM 1864 CA LEU A 317 1.416 24.462 43.164 1.00 31.45 C +ATOM 1865 C LEU A 317 2.658 23.936 43.875 1.00 31.37 C +ATOM 1866 O LEU A 317 3.612 24.690 44.066 1.00 33.44 O +ATOM 1867 CB LEU A 317 1.813 25.166 41.857 1.00 31.59 C +ATOM 1868 CG LEU A 317 0.725 25.699 40.920 1.00 32.95 C +ATOM 1869 CD1 LEU A 317 1.350 26.195 39.636 1.00 35.52 C +ATOM 1870 CD2 LEU A 317 -0.322 24.670 40.597 1.00 32.88 C +ATOM 1871 N ARG A 318 2.632 22.664 44.270 1.00 29.88 N +ATOM 1872 CA ARG A 318 3.723 22.002 44.991 1.00 30.29 C +ATOM 1873 C ARG A 318 4.147 20.692 44.306 1.00 28.55 C +ATOM 1874 O ARG A 318 3.364 19.752 44.173 1.00 27.51 O +ATOM 1875 CB ARG A 318 3.325 21.733 46.452 1.00 33.25 C +ATOM 1876 CG ARG A 318 4.487 21.185 47.304 1.00 40.06 C +ATOM 1877 CD ARG A 318 4.093 20.582 48.658 1.00 48.71 C +ATOM 1878 NE ARG A 318 4.923 21.098 49.757 1.00 55.22 N +ATOM 1879 CZ ARG A 318 4.640 20.935 51.053 1.00 60.42 C +ATOM 1880 NH1 ARG A 318 3.558 20.254 51.437 1.00 62.03 N +ATOM 1881 NH2 ARG A 318 5.448 21.447 51.978 1.00 61.22 N +ATOM 1882 N HIS A 319 5.408 20.639 43.872 1.00 26.62 N +ATOM 1883 CA HIS A 319 5.918 19.534 43.067 1.00 26.01 C +ATOM 1884 C HIS A 319 7.445 19.556 43.082 1.00 25.38 C +ATOM 1885 O HIS A 319 8.049 20.613 43.220 1.00 24.32 O +ATOM 1886 CB HIS A 319 5.336 19.638 41.640 1.00 25.91 C +ATOM 1887 CG HIS A 319 5.807 18.579 40.696 1.00 24.59 C +ATOM 1888 ND1 HIS A 319 5.087 17.434 40.435 1.00 26.18 N +ATOM 1889 CD2 HIS A 319 6.910 18.515 39.917 1.00 22.15 C +ATOM 1890 CE1 HIS A 319 5.736 16.700 39.548 1.00 23.04 C +ATOM 1891 NE2 HIS A 319 6.852 17.329 39.227 1.00 27.33 N +ATOM 1892 N GLU A 320 8.066 18.390 42.940 1.00 26.45 N +ATOM 1893 CA GLU A 320 9.521 18.273 43.061 1.00 27.57 C +ATOM 1894 C GLU A 320 10.290 19.082 42.022 1.00 26.09 C +ATOM 1895 O GLU A 320 11.440 19.422 42.244 1.00 25.16 O +ATOM 1896 CB GLU A 320 9.981 16.803 43.007 1.00 29.46 C +ATOM 1897 CG GLU A 320 9.573 16.034 41.761 1.00 35.42 C +ATOM 1898 CD GLU A 320 10.334 14.715 41.560 1.00 42.29 C +ATOM 1899 OE1 GLU A 320 11.178 14.330 42.412 1.00 47.61 O +ATOM 1900 OE2 GLU A 320 10.079 14.048 40.536 1.00 45.46 O +ATOM 1901 N LYS A 321 9.655 19.374 40.885 1.00 23.74 N +ATOM 1902 CA LYS A 321 10.310 20.106 39.801 1.00 22.76 C +ATOM 1903 C LYS A 321 9.813 21.548 39.674 1.00 22.34 C +ATOM 1904 O LYS A 321 9.982 22.163 38.635 1.00 22.04 O +ATOM 1905 CB LYS A 321 10.139 19.349 38.476 1.00 22.92 C +ATOM 1906 CG LYS A 321 10.712 17.924 38.487 1.00 23.23 C +ATOM 1907 CD LYS A 321 12.192 17.892 38.909 1.00 23.85 C +ATOM 1908 CE LYS A 321 12.848 16.512 38.712 1.00 27.15 C +ATOM 1909 NZ LYS A 321 14.291 16.545 39.175 1.00 24.11 N +ATOM 1910 N LEU A 322 9.201 22.062 40.734 1.00 21.98 N +ATOM 1911 CA LEU A 322 8.864 23.476 40.857 1.00 21.85 C +ATOM 1912 C LEU A 322 9.545 24.002 42.094 1.00 20.64 C +ATOM 1913 O LEU A 322 9.504 23.368 43.154 1.00 20.77 O +ATOM 1914 CB LEU A 322 7.362 23.691 41.055 1.00 21.80 C +ATOM 1915 CG LEU A 322 6.304 23.148 40.097 1.00 27.53 C +ATOM 1916 CD1 LEU A 322 4.992 23.959 40.158 1.00 26.96 C +ATOM 1917 CD2 LEU A 322 6.770 22.943 38.707 1.00 28.34 C +ATOM 1918 N VAL A 323 10.112 25.188 41.985 1.00 21.72 N +ATOM 1919 CA VAL A 323 10.724 25.860 43.132 1.00 21.36 C +ATOM 1920 C VAL A 323 9.678 26.053 44.247 1.00 23.08 C +ATOM 1921 O VAL A 323 8.554 26.520 43.996 1.00 23.56 O +ATOM 1922 CB VAL A 323 11.376 27.193 42.684 1.00 23.09 C +ATOM 1923 CG1 VAL A 323 11.906 28.000 43.881 1.00 24.78 C +ATOM 1924 CG2 VAL A 323 12.497 26.911 41.732 1.00 24.06 C +ATOM 1925 N GLN A 324 10.042 25.685 45.476 1.00 20.87 N +ATOM 1926 CA GLN A 324 9.084 25.632 46.588 1.00 22.07 C +ATOM 1927 C GLN A 324 9.047 26.974 47.335 1.00 21.72 C +ATOM 1928 O GLN A 324 10.084 27.545 47.656 1.00 20.80 O +ATOM 1929 CB GLN A 324 9.506 24.491 47.532 1.00 23.06 C +ATOM 1930 CG GLN A 324 8.606 24.258 48.729 1.00 27.72 C +ATOM 1931 CD GLN A 324 9.128 23.139 49.666 1.00 37.64 C +ATOM 1932 OE1 GLN A 324 10.023 22.357 49.291 1.00 39.23 O +ATOM 1933 NE2 GLN A 324 8.578 23.083 50.887 1.00 38.33 N +ATOM 1934 N LEU A 325 7.850 27.476 47.603 1.00 22.03 N +ATOM 1935 CA LEU A 325 7.669 28.620 48.514 1.00 22.11 C +ATOM 1936 C LEU A 325 7.863 28.207 49.983 1.00 21.60 C +ATOM 1937 O LEU A 325 7.407 27.150 50.426 1.00 21.63 O +ATOM 1938 CB LEU A 325 6.271 29.221 48.309 1.00 22.68 C +ATOM 1939 CG LEU A 325 5.896 30.424 49.191 1.00 22.61 C +ATOM 1940 CD1 LEU A 325 6.634 31.672 48.747 1.00 22.78 C +ATOM 1941 CD2 LEU A 325 4.393 30.648 49.146 1.00 24.48 C +ATOM 1942 N TYR A 326 8.559 29.035 50.746 1.00 20.30 N +ATOM 1943 CA TYR A 326 8.753 28.787 52.170 1.00 20.38 C +ATOM 1944 C TYR A 326 7.972 29.785 53.053 1.00 20.44 C +ATOM 1945 O TYR A 326 7.433 29.408 54.097 1.00 21.31 O +ATOM 1946 CB TYR A 326 10.226 28.882 52.524 1.00 22.09 C +ATOM 1947 CG TYR A 326 11.116 27.729 52.090 1.00 23.06 C +ATOM 1948 CD1 TYR A 326 10.606 26.543 51.556 1.00 26.31 C +ATOM 1949 CD2 TYR A 326 12.486 27.842 52.231 1.00 26.44 C +ATOM 1950 CE1 TYR A 326 11.469 25.499 51.194 1.00 28.08 C +ATOM 1951 CE2 TYR A 326 13.339 26.825 51.879 1.00 26.66 C +ATOM 1952 CZ TYR A 326 12.834 25.665 51.371 1.00 28.32 C +ATOM 1953 OH TYR A 326 13.720 24.691 51.042 1.00 28.80 O +ATOM 1954 N ALA A 327 7.920 31.050 52.647 1.00 19.88 N +ATOM 1955 CA ALA A 327 7.387 32.124 53.508 1.00 20.35 C +ATOM 1956 C ALA A 327 7.280 33.438 52.777 1.00 20.24 C +ATOM 1957 O ALA A 327 7.889 33.619 51.726 1.00 20.80 O +ATOM 1958 CB ALA A 327 8.267 32.314 54.745 1.00 21.40 C +ATOM 1959 N VAL A 328 6.512 34.372 53.349 1.00 19.62 N +ATOM 1960 CA VAL A 328 6.471 35.749 52.877 1.00 20.43 C +ATOM 1961 C VAL A 328 6.613 36.741 54.048 1.00 20.72 C +ATOM 1962 O VAL A 328 6.299 36.419 55.193 1.00 20.02 O +ATOM 1963 CB VAL A 328 5.177 36.080 52.100 1.00 21.72 C +ATOM 1964 CG1 VAL A 328 5.038 35.195 50.831 1.00 23.91 C +ATOM 1965 CG2 VAL A 328 3.964 35.944 52.978 1.00 25.34 C +ATOM 1966 N VAL A 329 7.071 37.945 53.739 1.00 21.06 N +ATOM 1967 CA VAL A 329 7.018 39.082 54.653 1.00 21.72 C +ATOM 1968 C VAL A 329 6.215 40.174 53.938 1.00 21.55 C +ATOM 1969 O VAL A 329 6.647 40.689 52.906 1.00 22.47 O +ATOM 1970 CB VAL A 329 8.420 39.601 55.040 1.00 22.89 C +ATOM 1971 CG1 VAL A 329 8.303 40.791 55.991 1.00 24.98 C +ATOM 1972 CG2 VAL A 329 9.249 38.504 55.681 1.00 23.28 C +ATOM 1973 N SER A 330 5.047 40.523 54.485 1.00 21.75 N +ATOM 1974 CA SER A 330 4.055 41.354 53.783 1.00 24.65 C +ATOM 1975 C SER A 330 4.055 42.831 54.191 1.00 27.41 C +ATOM 1976 O SER A 330 3.057 43.526 53.982 1.00 30.88 O +ATOM 1977 CB SER A 330 2.636 40.797 53.990 1.00 24.45 C +ATOM 1978 OG SER A 330 2.527 39.490 53.463 1.00 25.57 O +ATOM 1979 N GLU A 331 5.135 43.290 54.801 1.00 28.79 N +ATOM 1980 CA GLU A 331 5.345 44.719 55.073 1.00 30.24 C +ATOM 1981 C GLU A 331 6.599 45.158 54.316 1.00 29.56 C +ATOM 1982 O GLU A 331 7.477 44.340 54.064 1.00 26.83 O +ATOM 1983 CB GLU A 331 5.489 44.941 56.570 1.00 32.39 C +ATOM 1984 CG GLU A 331 4.271 44.413 57.329 1.00 38.55 C +ATOM 1985 CD GLU A 331 4.110 44.985 58.721 1.00 48.63 C +ATOM 1986 OE1 GLU A 331 5.108 45.505 59.280 1.00 54.25 O +ATOM 1987 OE2 GLU A 331 2.971 44.911 59.259 1.00 53.13 O +ATOM 1988 N GLU A 332 6.680 46.431 53.931 1.00 28.00 N +ATOM 1989 CA GLU A 332 7.762 46.887 53.053 1.00 29.19 C +ATOM 1990 C GLU A 332 9.137 46.839 53.746 1.00 28.48 C +ATOM 1991 O GLU A 332 9.240 47.210 54.921 1.00 27.84 O +ATOM 1992 CB GLU A 332 7.486 48.307 52.552 1.00 31.05 C +ATOM 1993 CG GLU A 332 6.227 48.446 51.709 1.00 32.68 C +ATOM 1994 CD GLU A 332 6.153 49.786 50.980 1.00 38.54 C +ATOM 1995 OE1 GLU A 332 6.807 50.756 51.437 1.00 40.99 O +ATOM 1996 OE2 GLU A 332 5.449 49.866 49.948 1.00 39.94 O +ATOM 1997 N PRO A 333 10.184 46.385 53.044 1.00 26.31 N +ATOM 1998 CA PRO A 333 10.091 45.876 51.669 1.00 25.39 C +ATOM 1999 C PRO A 333 9.536 44.449 51.637 1.00 23.45 C +ATOM 2000 O PRO A 333 9.919 43.623 52.461 1.00 23.66 O +ATOM 2001 CB PRO A 333 11.542 45.895 51.205 1.00 25.82 C +ATOM 2002 CG PRO A 333 12.323 45.656 52.457 1.00 26.22 C +ATOM 2003 CD PRO A 333 11.575 46.357 53.531 1.00 26.59 C +ATOM 2004 N ILE A 334 8.616 44.178 50.729 1.00 22.96 N +ATOM 2005 CA ILE A 334 7.984 42.864 50.667 1.00 22.45 C +ATOM 2006 C ILE A 334 9.049 41.817 50.306 1.00 21.70 C +ATOM 2007 O ILE A 334 9.854 42.055 49.424 1.00 20.32 O +ATOM 2008 CB ILE A 334 6.836 42.842 49.630 1.00 23.10 C +ATOM 2009 CG1 ILE A 334 5.848 44.020 49.805 1.00 26.19 C +ATOM 2010 CG2 ILE A 334 6.087 41.508 49.687 1.00 22.11 C +ATOM 2011 CD1 ILE A 334 5.229 44.131 51.156 1.00 27.00 C +ATOM 2012 N TYR A 335 9.040 40.669 50.986 1.00 22.34 N +ATOM 2013 CA TYR A 335 9.915 39.536 50.667 1.00 21.74 C +ATOM 2014 C TYR A 335 9.087 38.332 50.251 1.00 22.56 C +ATOM 2015 O TYR A 335 8.039 38.046 50.871 1.00 21.37 O +ATOM 2016 CB TYR A 335 10.682 39.059 51.892 1.00 21.24 C +ATOM 2017 CG TYR A 335 11.816 39.915 52.403 1.00 21.56 C +ATOM 2018 CD1 TYR A 335 12.261 41.045 51.722 1.00 21.04 C +ATOM 2019 CD2 TYR A 335 12.477 39.544 53.553 1.00 24.24 C +ATOM 2020 CE1 TYR A 335 13.324 41.806 52.209 1.00 23.62 C +ATOM 2021 CE2 TYR A 335 13.537 40.282 54.038 1.00 27.66 C +ATOM 2022 CZ TYR A 335 13.961 41.409 53.360 1.00 25.67 C +ATOM 2023 OH TYR A 335 15.004 42.137 53.890 1.00 30.15 O +ATOM 2024 N ILE A 336 9.584 37.593 49.259 1.00 20.99 N +ATOM 2025 CA ILE A 336 9.155 36.209 49.016 1.00 21.06 C +ATOM 2026 C ILE A 336 10.342 35.276 49.258 1.00 21.14 C +ATOM 2027 O ILE A 336 11.429 35.475 48.679 1.00 21.23 O +ATOM 2028 CB ILE A 336 8.640 36.036 47.588 1.00 21.35 C +ATOM 2029 CG1 ILE A 336 7.376 36.868 47.362 1.00 22.29 C +ATOM 2030 CG2 ILE A 336 8.320 34.550 47.308 1.00 22.81 C +ATOM 2031 CD1 ILE A 336 6.969 36.960 45.905 1.00 25.89 C +ATOM 2032 N VAL A 337 10.160 34.294 50.149 1.00 20.38 N +ATOM 2033 CA VAL A 337 11.236 33.393 50.556 1.00 19.88 C +ATOM 2034 C VAL A 337 10.988 31.996 49.985 1.00 20.06 C +ATOM 2035 O VAL A 337 9.943 31.415 50.222 1.00 19.82 O +ATOM 2036 CB VAL A 337 11.360 33.319 52.084 1.00 21.79 C +ATOM 2037 CG1 VAL A 337 12.505 32.420 52.493 1.00 20.21 C +ATOM 2038 CG2 VAL A 337 11.545 34.727 52.688 1.00 22.85 C +ATOM 2039 N THR A 338 11.942 31.484 49.211 1.00 20.68 N +ATOM 2040 CA THR A 338 11.831 30.165 48.589 1.00 21.81 C +ATOM 2041 C THR A 338 13.055 29.298 48.846 1.00 22.42 C +ATOM 2042 O THR A 338 14.081 29.763 49.362 1.00 21.39 O +ATOM 2043 CB THR A 338 11.643 30.281 47.060 1.00 21.89 C +ATOM 2044 OG1 THR A 338 12.826 30.800 46.441 1.00 22.91 O +ATOM 2045 CG2 THR A 338 10.541 31.285 46.695 1.00 23.05 C +ATOM 2046 N GLU A 339 12.966 28.043 48.421 1.00 21.77 N +ATOM 2047 CA GLU A 339 14.143 27.193 48.384 1.00 23.45 C +ATOM 2048 C GLU A 339 15.205 27.834 47.504 1.00 22.91 C +ATOM 2049 O GLU A 339 14.895 28.588 46.580 1.00 23.35 O +ATOM 2050 CB GLU A 339 13.812 25.771 47.903 1.00 25.16 C +ATOM 2051 CG GLU A 339 13.805 25.584 46.416 1.00 28.01 C +ATOM 2052 CD GLU A 339 13.454 24.168 45.996 1.00 28.06 C +ATOM 2053 OE1 GLU A 339 14.313 23.263 46.064 1.00 30.51 O +ATOM 2054 OE2 GLU A 339 12.310 23.967 45.596 1.00 22.57 O +ATOM 2055 N TYR A 340 16.462 27.519 47.797 1.00 21.67 N +ATOM 2056 CA TYR A 340 17.592 28.080 47.061 1.00 20.71 C +ATOM 2057 C TYR A 340 18.120 27.043 46.101 1.00 19.99 C +ATOM 2058 O TYR A 340 18.336 25.887 46.483 1.00 20.17 O +ATOM 2059 CB TYR A 340 18.687 28.475 48.034 1.00 20.12 C +ATOM 2060 CG TYR A 340 19.966 28.978 47.397 1.00 20.66 C +ATOM 2061 CD1 TYR A 340 19.989 30.186 46.708 1.00 22.61 C +ATOM 2062 CD2 TYR A 340 21.157 28.257 47.496 1.00 22.41 C +ATOM 2063 CE1 TYR A 340 21.160 30.665 46.129 1.00 23.03 C +ATOM 2064 CE2 TYR A 340 22.348 28.745 46.941 1.00 21.86 C +ATOM 2065 CZ TYR A 340 22.329 29.944 46.263 1.00 21.57 C +ATOM 2066 OH TYR A 340 23.470 30.436 45.721 1.00 25.76 O +ATOM 2067 N MET A 341 18.310 27.441 44.850 1.00 20.31 N +ATOM 2068 CA MET A 341 18.856 26.550 43.815 1.00 20.41 C +ATOM 2069 C MET A 341 20.301 26.992 43.565 1.00 20.14 C +ATOM 2070 O MET A 341 20.525 28.115 43.114 1.00 21.46 O +ATOM 2071 CB MET A 341 18.038 26.658 42.529 1.00 20.08 C +ATOM 2072 CG MET A 341 16.565 26.301 42.700 1.00 22.88 C +ATOM 2073 SD MET A 341 16.326 24.597 43.237 1.00 24.50 S +ATOM 2074 CE MET A 341 17.139 23.703 41.909 1.00 24.61 C +ATOM 2075 N SER A 342 21.266 26.126 43.854 1.00 21.01 N +ATOM 2076 CA SER A 342 22.646 26.575 44.003 1.00 21.75 C +ATOM 2077 C SER A 342 23.350 27.002 42.716 1.00 22.16 C +ATOM 2078 O SER A 342 24.342 27.707 42.799 1.00 21.29 O +ATOM 2079 CB SER A 342 23.503 25.526 44.723 1.00 22.04 C +ATOM 2080 OG SER A 342 23.571 24.331 43.981 1.00 23.80 O +ATOM 2081 N LYS A 343 22.891 26.553 41.551 1.00 20.29 N +ATOM 2082 CA LYS A 343 23.592 26.853 40.288 1.00 22.59 C +ATOM 2083 C LYS A 343 22.993 27.969 39.416 1.00 24.24 C +ATOM 2084 O LYS A 343 23.537 28.298 38.365 1.00 26.27 O +ATOM 2085 CB LYS A 343 23.751 25.577 39.456 1.00 23.46 C +ATOM 2086 CG LYS A 343 24.372 24.416 40.230 1.00 24.16 C +ATOM 2087 CD LYS A 343 25.748 24.768 40.752 1.00 27.96 C +ATOM 2088 CE LYS A 343 26.419 23.589 41.403 1.00 31.16 C +ATOM 2089 NZ LYS A 343 27.854 23.872 41.729 1.00 33.06 N +ATOM 2090 N GLY A 344 21.878 28.548 39.826 1.00 22.10 N +ATOM 2091 CA GLY A 344 21.351 29.697 39.124 1.00 22.96 C +ATOM 2092 C GLY A 344 20.531 29.327 37.907 1.00 21.27 C +ATOM 2093 O GLY A 344 20.029 28.215 37.807 1.00 20.94 O +ATOM 2094 N SER A 345 20.383 30.256 36.978 1.00 21.77 N +ATOM 2095 CA SER A 345 19.486 30.026 35.840 1.00 21.65 C +ATOM 2096 C SER A 345 20.079 29.021 34.860 1.00 21.26 C +ATOM 2097 O SER A 345 21.308 28.958 34.680 1.00 21.63 O +ATOM 2098 CB SER A 345 19.145 31.326 35.111 1.00 23.03 C +ATOM 2099 OG SER A 345 20.182 31.705 34.243 1.00 23.22 O +ATOM 2100 N LEU A 346 19.187 28.259 34.230 1.00 20.79 N +ATOM 2101 CA LEU A 346 19.545 27.263 33.244 1.00 20.39 C +ATOM 2102 C LEU A 346 20.277 27.962 32.108 1.00 21.89 C +ATOM 2103 O LEU A 346 21.252 27.426 31.601 1.00 20.54 O +ATOM 2104 CB LEU A 346 18.316 26.557 32.690 1.00 21.53 C +ATOM 2105 CG LEU A 346 18.569 25.549 31.543 1.00 21.21 C +ATOM 2106 CD1 LEU A 346 19.491 24.411 31.964 1.00 23.56 C +ATOM 2107 CD2 LEU A 346 17.268 25.051 30.990 1.00 25.14 C +ATOM 2108 N LEU A 347 19.797 29.139 31.689 1.00 21.26 N +ATOM 2109 CA LEU A 347 20.447 29.859 30.583 1.00 21.89 C +ATOM 2110 C LEU A 347 21.932 30.113 30.853 1.00 20.82 C +ATOM 2111 O LEU A 347 22.781 29.806 30.014 1.00 20.44 O +ATOM 2112 CB LEU A 347 19.738 31.191 30.293 1.00 23.51 C +ATOM 2113 CG LEU A 347 20.372 31.999 29.160 1.00 25.24 C +ATOM 2114 CD1 LEU A 347 20.335 31.201 27.863 1.00 27.52 C +ATOM 2115 CD2 LEU A 347 19.660 33.346 29.003 1.00 30.80 C +ATOM 2116 N ASP A 348 22.245 30.673 32.014 1.00 22.62 N +ATOM 2117 CA ASP A 348 23.637 30.947 32.405 1.00 23.10 C +ATOM 2118 C ASP A 348 24.470 29.654 32.577 1.00 22.06 C +ATOM 2119 O ASP A 348 25.660 29.614 32.244 1.00 20.91 O +ATOM 2120 CB ASP A 348 23.701 31.748 33.709 1.00 24.31 C +ATOM 2121 CG ASP A 348 23.266 33.204 33.548 1.00 30.73 C +ATOM 2122 OD1 ASP A 348 23.232 33.715 32.408 1.00 33.06 O +ATOM 2123 OD2 ASP A 348 22.934 33.905 34.535 1.00 35.19 O +ATOM 2124 N PHE A 349 23.829 28.606 33.078 1.00 22.66 N +ATOM 2125 CA PHE A 349 24.451 27.306 33.288 1.00 21.18 C +ATOM 2126 C PHE A 349 24.882 26.693 31.947 1.00 21.36 C +ATOM 2127 O PHE A 349 25.977 26.171 31.829 1.00 19.81 O +ATOM 2128 CB PHE A 349 23.460 26.377 33.991 1.00 21.68 C +ATOM 2129 CG PHE A 349 24.034 25.047 34.413 1.00 22.97 C +ATOM 2130 CD1 PHE A 349 24.814 24.944 35.554 1.00 25.77 C +ATOM 2131 CD2 PHE A 349 23.774 23.902 33.678 1.00 25.86 C +ATOM 2132 CE1 PHE A 349 25.338 23.701 35.946 1.00 27.11 C +ATOM 2133 CE2 PHE A 349 24.282 22.663 34.079 1.00 28.20 C +ATOM 2134 CZ PHE A 349 25.062 22.573 35.209 1.00 24.36 C +ATOM 2135 N LEU A 350 24.011 26.771 30.947 1.00 20.64 N +ATOM 2136 CA LEU A 350 24.299 26.251 29.613 1.00 22.25 C +ATOM 2137 C LEU A 350 25.435 26.999 28.926 1.00 21.84 C +ATOM 2138 O LEU A 350 26.226 26.386 28.218 1.00 21.83 O +ATOM 2139 CB LEU A 350 23.051 26.324 28.714 1.00 21.16 C +ATOM 2140 CG LEU A 350 21.912 25.368 29.087 1.00 24.21 C +ATOM 2141 CD1 LEU A 350 20.618 25.757 28.387 1.00 22.95 C +ATOM 2142 CD2 LEU A 350 22.265 23.912 28.786 1.00 26.30 C +ATOM 2143 N LYS A 351 25.480 28.323 29.116 1.00 22.82 N +ATOM 2144 CA LYS A 351 26.471 29.195 28.500 1.00 22.99 C +ATOM 2145 C LYS A 351 27.826 29.130 29.165 1.00 24.11 C +ATOM 2146 O LYS A 351 28.825 29.535 28.583 1.00 22.64 O +ATOM 2147 CB LYS A 351 25.942 30.651 28.525 1.00 24.08 C +ATOM 2148 CG LYS A 351 24.773 30.855 27.570 1.00 24.66 C +ATOM 2149 CD LYS A 351 24.115 32.219 27.788 1.00 30.54 C +ATOM 2150 CE LYS A 351 24.934 33.332 27.171 1.00 36.24 C +ATOM 2151 NZ LYS A 351 24.101 34.566 27.064 1.00 42.20 N +ATOM 2152 N GLY A 352 27.859 28.617 30.392 1.00 23.92 N +ATOM 2153 CA GLY A 352 29.076 28.535 31.164 1.00 23.62 C +ATOM 2154 C GLY A 352 29.855 27.257 30.919 1.00 22.70 C +ATOM 2155 O GLY A 352 29.535 26.484 30.019 1.00 22.08 O +ATOM 2156 N GLU A 353 30.860 27.023 31.762 1.00 22.60 N +ATOM 2157 CA GLU A 353 31.843 25.973 31.523 1.00 22.11 C +ATOM 2158 C GLU A 353 31.207 24.592 31.483 1.00 21.88 C +ATOM 2159 O GLU A 353 31.614 23.772 30.679 1.00 19.51 O +ATOM 2160 CB GLU A 353 32.954 26.047 32.575 1.00 23.50 C +ATOM 2161 CG GLU A 353 34.183 25.207 32.306 1.00 26.40 C +ATOM 2162 CD GLU A 353 34.979 25.673 31.088 1.00 30.58 C +ATOM 2163 OE1 GLU A 353 34.776 26.825 30.611 1.00 27.37 O +ATOM 2164 OE2 GLU A 353 35.824 24.875 30.616 1.00 28.51 O +ATOM 2165 N THR A 354 30.190 24.333 32.308 1.00 20.09 N +ATOM 2166 CA THR A 354 29.563 23.002 32.319 1.00 20.63 C +ATOM 2167 C THR A 354 28.903 22.639 30.997 1.00 21.25 C +ATOM 2168 O THR A 354 28.919 21.460 30.591 1.00 20.00 O +ATOM 2169 CB THR A 354 28.541 22.847 33.466 1.00 19.89 C +ATOM 2170 OG1 THR A 354 29.202 23.034 34.734 1.00 20.44 O +ATOM 2171 CG2 THR A 354 28.013 21.426 33.522 1.00 21.08 C +ATOM 2172 N GLY A 355 28.352 23.636 30.306 1.00 21.44 N +ATOM 2173 CA GLY A 355 27.790 23.412 28.981 1.00 21.22 C +ATOM 2174 C GLY A 355 28.704 22.701 28.003 1.00 21.51 C +ATOM 2175 O GLY A 355 28.257 21.867 27.190 1.00 22.87 O +ATOM 2176 N LYS A 356 29.997 23.014 28.057 1.00 22.04 N +ATOM 2177 CA LYS A 356 30.969 22.411 27.142 1.00 21.89 C +ATOM 2178 C LYS A 356 31.056 20.889 27.323 1.00 22.22 C +ATOM 2179 O LYS A 356 31.400 20.165 26.388 1.00 22.17 O +ATOM 2180 CB LYS A 356 32.357 23.011 27.362 1.00 21.85 C +ATOM 2181 CG LYS A 356 32.451 24.502 27.075 1.00 23.21 C +ATOM 2182 CD LYS A 356 33.897 24.947 27.194 1.00 25.85 C +ATOM 2183 CE LYS A 356 34.090 26.461 27.066 1.00 29.75 C +ATOM 2184 NZ LYS A 356 35.530 26.780 26.657 1.00 25.54 N +ATOM 2185 N TYR A 357 30.780 20.435 28.547 1.00 21.09 N +ATOM 2186 CA TYR A 357 30.884 19.042 28.935 1.00 20.28 C +ATOM 2187 C TYR A 357 29.575 18.269 28.846 1.00 20.76 C +ATOM 2188 O TYR A 357 29.571 17.057 29.085 1.00 21.95 O +ATOM 2189 CB TYR A 357 31.441 18.970 30.376 1.00 19.50 C +ATOM 2190 CG TYR A 357 32.870 19.431 30.458 1.00 18.89 C +ATOM 2191 CD1 TYR A 357 33.915 18.537 30.248 1.00 22.31 C +ATOM 2192 CD2 TYR A 357 33.186 20.759 30.750 1.00 20.92 C +ATOM 2193 CE1 TYR A 357 35.240 18.953 30.324 1.00 25.37 C +ATOM 2194 CE2 TYR A 357 34.516 21.193 30.813 1.00 21.73 C +ATOM 2195 CZ TYR A 357 35.534 20.288 30.590 1.00 24.78 C +ATOM 2196 OH TYR A 357 36.852 20.691 30.674 1.00 27.05 O +ATOM 2197 N LEU A 358 28.463 18.941 28.546 1.00 20.29 N +ATOM 2198 CA LEU A 358 27.168 18.264 28.415 1.00 20.55 C +ATOM 2199 C LEU A 358 26.962 17.772 26.983 1.00 20.26 C +ATOM 2200 O LEU A 358 27.481 18.360 26.023 1.00 19.44 O +ATOM 2201 CB LEU A 358 25.986 19.176 28.780 1.00 21.62 C +ATOM 2202 CG LEU A 358 25.997 19.767 30.191 1.00 22.42 C +ATOM 2203 CD1 LEU A 358 24.867 20.728 30.352 1.00 23.10 C +ATOM 2204 CD2 LEU A 358 25.974 18.711 31.262 1.00 23.93 C +ATOM 2205 N ARG A 359 26.243 16.664 26.880 1.00 20.05 N +ATOM 2206 CA ARG A 359 25.865 16.078 25.604 1.00 20.51 C +ATOM 2207 C ARG A 359 24.365 15.841 25.599 1.00 20.72 C +ATOM 2208 O ARG A 359 23.667 16.179 26.559 1.00 19.45 O +ATOM 2209 CB ARG A 359 26.652 14.784 25.372 1.00 20.04 C +ATOM 2210 CG ARG A 359 28.148 15.006 25.225 1.00 22.03 C +ATOM 2211 CD ARG A 359 28.547 15.814 23.966 1.00 21.24 C +ATOM 2212 NE ARG A 359 29.998 15.900 23.819 1.00 20.94 N +ATOM 2213 CZ ARG A 359 30.776 16.802 24.419 1.00 22.61 C +ATOM 2214 NH1 ARG A 359 30.286 17.702 25.256 1.00 23.35 N +ATOM 2215 NH2 ARG A 359 32.083 16.768 24.215 1.00 21.95 N +ATOM 2216 N LEU A 360 23.851 15.240 24.526 1.00 20.82 N +ATOM 2217 CA LEU A 360 22.408 15.096 24.379 1.00 20.74 C +ATOM 2218 C LEU A 360 21.692 14.388 25.517 1.00 20.90 C +ATOM 2219 O LEU A 360 20.622 14.854 25.911 1.00 21.39 O +ATOM 2220 CB LEU A 360 22.027 14.474 23.011 1.00 21.03 C +ATOM 2221 CG LEU A 360 20.557 14.658 22.597 1.00 22.64 C +ATOM 2222 CD1 LEU A 360 20.264 16.104 22.285 1.00 23.73 C +ATOM 2223 CD2 LEU A 360 20.212 13.794 21.387 1.00 23.02 C +ATOM 2224 N PRO A 361 22.228 13.296 26.073 1.00 21.50 N +ATOM 2225 CA PRO A 361 21.542 12.620 27.180 1.00 22.09 C +ATOM 2226 C PRO A 361 21.291 13.492 28.406 1.00 20.46 C +ATOM 2227 O PRO A 361 20.224 13.407 29.015 1.00 19.13 O +ATOM 2228 CB PRO A 361 22.475 11.452 27.520 1.00 22.00 C +ATOM 2229 CG PRO A 361 23.269 11.223 26.300 1.00 22.77 C +ATOM 2230 CD PRO A 361 23.450 12.578 25.680 1.00 21.24 C +ATOM 2231 N GLN A 362 22.252 14.337 28.736 1.00 19.74 N +ATOM 2232 CA GLN A 362 22.117 15.239 29.874 1.00 19.25 C +ATOM 2233 C GLN A 362 21.096 16.329 29.579 1.00 19.33 C +ATOM 2234 O GLN A 362 20.311 16.720 30.451 1.00 20.21 O +ATOM 2235 CB GLN A 362 23.465 15.870 30.229 1.00 20.60 C +ATOM 2236 CG GLN A 362 24.510 14.885 30.729 1.00 20.17 C +ATOM 2237 CD GLN A 362 25.101 14.020 29.657 1.00 20.34 C +ATOM 2238 OE1 GLN A 362 25.344 14.481 28.554 1.00 21.36 O +ATOM 2239 NE2 GLN A 362 25.348 12.742 29.979 1.00 21.49 N +ATOM 2240 N LEU A 363 21.098 16.829 28.355 1.00 19.88 N +ATOM 2241 CA LEU A 363 20.208 17.926 27.987 1.00 20.59 C +ATOM 2242 C LEU A 363 18.763 17.452 27.884 1.00 20.91 C +ATOM 2243 O LEU A 363 17.843 18.138 28.309 1.00 21.38 O +ATOM 2244 CB LEU A 363 20.684 18.572 26.700 1.00 19.79 C +ATOM 2245 CG LEU A 363 22.057 19.235 26.822 1.00 21.84 C +ATOM 2246 CD1 LEU A 363 22.649 19.437 25.428 1.00 24.79 C +ATOM 2247 CD2 LEU A 363 21.977 20.548 27.555 1.00 21.39 C +ATOM 2248 N VAL A 364 18.578 16.259 27.335 1.00 22.01 N +ATOM 2249 CA VAL A 364 17.278 15.624 27.267 1.00 22.56 C +ATOM 2250 C VAL A 364 16.740 15.278 28.651 1.00 22.28 C +ATOM 2251 O VAL A 364 15.537 15.423 28.901 1.00 22.64 O +ATOM 2252 CB VAL A 364 17.325 14.380 26.356 1.00 24.18 C +ATOM 2253 CG1 VAL A 364 16.120 13.486 26.572 1.00 25.41 C +ATOM 2254 CG2 VAL A 364 17.410 14.822 24.880 1.00 23.72 C +ATOM 2255 N ASP A 365 17.601 14.847 29.559 1.00 21.84 N +ATOM 2256 CA ASP A 365 17.166 14.588 30.920 1.00 24.25 C +ATOM 2257 C ASP A 365 16.678 15.889 31.586 1.00 23.59 C +ATOM 2258 O ASP A 365 15.654 15.905 32.278 1.00 23.01 O +ATOM 2259 CB ASP A 365 18.279 13.957 31.747 1.00 26.38 C +ATOM 2260 CG ASP A 365 17.832 13.642 33.168 1.00 31.78 C +ATOM 2261 OD1 ASP A 365 17.125 12.612 33.373 1.00 36.37 O +ATOM 2262 OD2 ASP A 365 18.094 14.389 34.125 1.00 30.59 O +ATOM 2263 N MET A 366 17.400 16.975 31.366 1.00 22.56 N +ATOM 2264 CA MET A 366 16.980 18.275 31.913 1.00 22.69 C +ATOM 2265 C MET A 366 15.644 18.690 31.301 1.00 21.58 C +ATOM 2266 O MET A 366 14.744 19.118 31.997 1.00 20.63 O +ATOM 2267 CB MET A 366 18.064 19.317 31.663 1.00 24.27 C +ATOM 2268 CG MET A 366 19.245 19.134 32.625 1.00 28.04 C +ATOM 2269 SD MET A 366 20.460 20.486 32.472 1.00 41.68 S +ATOM 2270 CE MET A 366 21.188 19.869 31.338 1.00 25.18 C +ATOM 2271 N ALA A 367 15.484 18.494 29.999 1.00 21.56 N +ATOM 2272 CA ALA A 367 14.199 18.779 29.343 1.00 21.07 C +ATOM 2273 C ALA A 367 13.048 17.992 29.955 1.00 21.46 C +ATOM 2274 O ALA A 367 11.941 18.517 30.095 1.00 21.27 O +ATOM 2275 CB ALA A 367 14.287 18.500 27.856 1.00 21.16 C +ATOM 2276 N ALA A 368 13.298 16.722 30.267 1.00 22.01 N +ATOM 2277 CA ALA A 368 12.298 15.827 30.830 1.00 22.31 C +ATOM 2278 C ALA A 368 11.865 16.279 32.200 1.00 21.81 C +ATOM 2279 O ALA A 368 10.707 16.112 32.569 1.00 22.00 O +ATOM 2280 CB ALA A 368 12.834 14.398 30.919 1.00 23.15 C +ATOM 2281 N GLN A 369 12.798 16.828 32.972 1.00 20.54 N +ATOM 2282 CA GLN A 369 12.481 17.315 34.308 1.00 21.30 C +ATOM 2283 C GLN A 369 11.567 18.527 34.216 1.00 20.68 C +ATOM 2284 O GLN A 369 10.591 18.671 34.987 1.00 20.36 O +ATOM 2285 CB GLN A 369 13.753 17.698 35.066 1.00 21.06 C +ATOM 2286 CG GLN A 369 14.695 16.554 35.392 1.00 22.64 C +ATOM 2287 CD GLN A 369 15.896 17.054 36.125 1.00 23.13 C +ATOM 2288 OE1 GLN A 369 15.764 17.580 37.235 1.00 23.27 O +ATOM 2289 NE2 GLN A 369 17.065 16.945 35.505 1.00 22.70 N +ATOM 2290 N ILE A 370 11.899 19.422 33.296 1.00 21.10 N +ATOM 2291 CA ILE A 370 11.095 20.610 33.067 1.00 20.94 C +ATOM 2292 C ILE A 370 9.706 20.189 32.586 1.00 21.92 C +ATOM 2293 O ILE A 370 8.696 20.735 33.034 1.00 20.92 O +ATOM 2294 CB ILE A 370 11.782 21.541 32.029 1.00 21.38 C +ATOM 2295 CG1 ILE A 370 13.118 22.073 32.569 1.00 23.03 C +ATOM 2296 CG2 ILE A 370 10.854 22.715 31.688 1.00 21.37 C +ATOM 2297 CD1 ILE A 370 14.071 22.590 31.493 1.00 25.93 C +ATOM 2298 N ALA A 371 9.653 19.215 31.674 1.00 21.91 N +ATOM 2299 CA ALA A 371 8.378 18.754 31.157 1.00 22.44 C +ATOM 2300 C ALA A 371 7.538 18.140 32.278 1.00 23.15 C +ATOM 2301 O ALA A 371 6.324 18.272 32.264 1.00 22.40 O +ATOM 2302 CB ALA A 371 8.569 17.754 30.023 1.00 22.53 C +ATOM 2303 N SER A 372 8.181 17.492 33.250 1.00 22.76 N +ATOM 2304 CA SER A 372 7.461 16.897 34.384 1.00 23.67 C +ATOM 2305 C SER A 372 6.846 17.976 35.269 1.00 23.52 C +ATOM 2306 O SER A 372 5.695 17.852 35.721 1.00 24.27 O +ATOM 2307 CB SER A 372 8.383 15.994 35.207 1.00 23.89 C +ATOM 2308 OG SER A 372 7.759 15.626 36.426 1.00 28.55 O +ATOM 2309 N GLY A 373 7.597 19.041 35.523 1.00 21.70 N +ATOM 2310 CA GLY A 373 7.061 20.189 36.244 1.00 21.84 C +ATOM 2311 C GLY A 373 5.884 20.818 35.515 1.00 22.20 C +ATOM 2312 O GLY A 373 4.858 21.134 36.124 1.00 22.56 O +ATOM 2313 N MET A 374 6.012 20.983 34.208 1.00 21.55 N +ATOM 2314 CA MET A 374 4.951 21.603 33.418 1.00 21.78 C +ATOM 2315 C MET A 374 3.738 20.690 33.253 1.00 22.36 C +ATOM 2316 O MET A 374 2.621 21.179 33.090 1.00 21.80 O +ATOM 2317 CB MET A 374 5.484 22.077 32.057 1.00 21.11 C +ATOM 2318 CG MET A 374 6.432 23.278 32.171 1.00 21.66 C +ATOM 2319 SD MET A 374 5.698 24.729 32.995 1.00 26.10 S +ATOM 2320 CE MET A 374 4.166 24.929 32.031 1.00 26.21 C +ATOM 2321 N ALA A 375 3.943 19.376 33.313 1.00 22.06 N +ATOM 2322 CA ALA A 375 2.827 18.430 33.264 1.00 23.00 C +ATOM 2323 C ALA A 375 1.995 18.534 34.542 1.00 23.71 C +ATOM 2324 O ALA A 375 0.767 18.388 34.508 1.00 24.18 O +ATOM 2325 CB ALA A 375 3.317 17.012 33.041 1.00 23.59 C +ATOM 2326 N TYR A 376 2.657 18.828 35.654 1.00 23.30 N +ATOM 2327 CA TYR A 376 1.964 19.119 36.907 1.00 23.57 C +ATOM 2328 C TYR A 376 1.168 20.433 36.826 1.00 23.49 C +ATOM 2329 O TYR A 376 -0.032 20.462 37.150 1.00 23.18 O +ATOM 2330 CB TYR A 376 2.951 19.113 38.076 1.00 23.19 C +ATOM 2331 CG TYR A 376 2.336 19.621 39.348 1.00 23.38 C +ATOM 2332 CD1 TYR A 376 1.530 18.787 40.144 1.00 26.41 C +ATOM 2333 CD2 TYR A 376 2.538 20.932 39.760 1.00 23.59 C +ATOM 2334 CE1 TYR A 376 0.944 19.269 41.326 1.00 27.41 C +ATOM 2335 CE2 TYR A 376 1.943 21.428 40.929 1.00 24.34 C +ATOM 2336 CZ TYR A 376 1.165 20.589 41.716 1.00 25.36 C +ATOM 2337 OH TYR A 376 0.597 21.090 42.867 1.00 27.18 O +ATOM 2338 N VAL A 377 1.801 21.499 36.342 1.00 21.67 N +ATOM 2339 CA VAL A 377 1.114 22.775 36.089 1.00 23.04 C +ATOM 2340 C VAL A 377 -0.126 22.568 35.196 1.00 24.87 C +ATOM 2341 O VAL A 377 -1.201 23.128 35.460 1.00 25.16 O +ATOM 2342 CB VAL A 377 2.060 23.811 35.416 1.00 22.97 C +ATOM 2343 CG1 VAL A 377 1.298 25.053 34.962 1.00 25.67 C +ATOM 2344 CG2 VAL A 377 3.196 24.201 36.351 1.00 22.02 C +ATOM 2345 N GLU A 378 0.036 21.757 34.156 1.00 25.84 N +ATOM 2346 CA GLU A 378 -1.047 21.346 33.253 1.00 27.03 C +ATOM 2347 C GLU A 378 -2.202 20.638 33.984 1.00 27.50 C +ATOM 2348 O GLU A 378 -3.352 21.042 33.823 1.00 27.09 O +ATOM 2349 CB GLU A 378 -0.460 20.429 32.167 1.00 27.76 C +ATOM 2350 CG GLU A 378 -1.404 19.856 31.110 1.00 29.12 C +ATOM 2351 CD GLU A 378 -0.631 19.091 30.026 1.00 31.24 C +ATOM 2352 OE1 GLU A 378 -0.330 17.869 30.222 1.00 29.34 O +ATOM 2353 OE2 GLU A 378 -0.293 19.722 28.979 1.00 29.53 O +ATOM 2354 N ARG A 379 -1.899 19.612 34.786 1.00 28.24 N +ATOM 2355 CA ARG A 379 -2.928 18.859 35.531 1.00 29.83 C +ATOM 2356 C ARG A 379 -3.661 19.755 36.514 1.00 29.03 C +ATOM 2357 O ARG A 379 -4.817 19.494 36.838 1.00 28.40 O +ATOM 2358 CB ARG A 379 -2.378 17.726 36.427 1.00 30.60 C +ATOM 2359 CG ARG A 379 -1.371 16.758 35.904 1.00 36.58 C +ATOM 2360 CD ARG A 379 -1.242 15.494 36.769 1.00 37.53 C +ATOM 2361 NE ARG A 379 -0.204 15.552 37.810 1.00 39.61 N +ATOM 2362 CZ ARG A 379 1.114 15.470 37.589 1.00 38.37 C +ATOM 2363 NH1 ARG A 379 1.588 15.371 36.354 1.00 36.09 N +ATOM 2364 NH2 ARG A 379 1.962 15.505 38.606 1.00 38.44 N +ATOM 2365 N MET A 380 -2.969 20.759 37.049 1.00 27.26 N +ATOM 2366 CA MET A 380 -3.548 21.652 38.050 1.00 27.35 C +ATOM 2367 C MET A 380 -4.346 22.799 37.434 1.00 28.73 C +ATOM 2368 O MET A 380 -4.838 23.663 38.168 1.00 27.22 O +ATOM 2369 CB MET A 380 -2.465 22.244 38.945 1.00 26.40 C +ATOM 2370 CG MET A 380 -1.717 21.250 39.779 1.00 27.05 C +ATOM 2371 SD MET A 380 -2.758 20.498 41.035 1.00 29.11 S +ATOM 2372 CE MET A 380 -3.068 21.851 42.192 1.00 31.84 C +ATOM 2373 N ASN A 381 -4.472 22.806 36.105 1.00 28.93 N +ATOM 2374 CA ASN A 381 -5.232 23.838 35.374 1.00 31.38 C +ATOM 2375 C ASN A 381 -4.664 25.253 35.508 1.00 30.37 C +ATOM 2376 O ASN A 381 -5.413 26.226 35.530 1.00 31.15 O +ATOM 2377 CB ASN A 381 -6.732 23.811 35.761 1.00 32.22 C +ATOM 2378 CG ASN A 381 -7.354 22.441 35.584 1.00 35.45 C +ATOM 2379 OD1 ASN A 381 -7.344 21.876 34.494 1.00 37.33 O +ATOM 2380 ND2 ASN A 381 -7.896 21.893 36.668 1.00 39.99 N +ATOM 2381 N TYR A 382 -3.334 25.366 35.579 1.00 28.43 N +ATOM 2382 CA TYR A 382 -2.646 26.657 35.564 1.00 27.95 C +ATOM 2383 C TYR A 382 -1.923 26.876 34.237 1.00 25.84 C +ATOM 2384 O TYR A 382 -1.779 25.974 33.440 1.00 26.83 O +ATOM 2385 CB TYR A 382 -1.623 26.755 36.697 1.00 27.95 C +ATOM 2386 CG TYR A 382 -2.208 27.153 38.026 1.00 28.98 C +ATOM 2387 CD1 TYR A 382 -2.975 26.251 38.749 1.00 32.66 C +ATOM 2388 CD2 TYR A 382 -2.000 28.427 38.563 1.00 25.59 C +ATOM 2389 CE1 TYR A 382 -3.532 26.596 39.984 1.00 33.40 C +ATOM 2390 CE2 TYR A 382 -2.551 28.788 39.792 1.00 28.97 C +ATOM 2391 CZ TYR A 382 -3.318 27.860 40.499 1.00 33.74 C +ATOM 2392 OH TYR A 382 -3.878 28.175 41.720 1.00 32.47 O +ATOM 2393 N VAL A 383 -1.491 28.104 34.025 1.00 26.95 N +ATOM 2394 CA VAL A 383 -0.675 28.490 32.878 1.00 26.63 C +ATOM 2395 C VAL A 383 0.474 29.340 33.438 1.00 26.50 C +ATOM 2396 O VAL A 383 0.278 30.152 34.332 1.00 26.39 O +ATOM 2397 CB VAL A 383 -1.508 29.249 31.812 1.00 27.76 C +ATOM 2398 CG1 VAL A 383 -2.085 30.566 32.366 1.00 29.18 C +ATOM 2399 CG2 VAL A 383 -0.684 29.495 30.539 1.00 29.46 C +ATOM 2400 N HIS A 384 1.684 29.134 32.925 1.00 25.33 N +ATOM 2401 CA HIS A 384 2.871 29.797 33.459 1.00 24.57 C +ATOM 2402 C HIS A 384 3.054 31.167 32.806 1.00 24.79 C +ATOM 2403 O HIS A 384 3.218 32.189 33.504 1.00 23.05 O +ATOM 2404 CB HIS A 384 4.101 28.901 33.232 1.00 23.76 C +ATOM 2405 CG HIS A 384 5.355 29.422 33.867 1.00 23.23 C +ATOM 2406 ND1 HIS A 384 6.109 30.424 33.305 1.00 23.42 N +ATOM 2407 CD2 HIS A 384 5.978 29.087 35.020 1.00 25.20 C +ATOM 2408 CE1 HIS A 384 7.153 30.673 34.072 1.00 27.41 C +ATOM 2409 NE2 HIS A 384 7.091 29.883 35.127 1.00 25.13 N +ATOM 2410 N ARG A 385 3.034 31.164 31.470 1.00 23.57 N +ATOM 2411 CA ARG A 385 3.126 32.358 30.611 1.00 25.13 C +ATOM 2412 C ARG A 385 4.509 32.977 30.446 1.00 25.43 C +ATOM 2413 O ARG A 385 4.639 33.998 29.769 1.00 28.09 O +ATOM 2414 CB ARG A 385 2.148 33.471 31.035 1.00 23.72 C +ATOM 2415 CG ARG A 385 0.719 33.037 31.121 1.00 24.29 C +ATOM 2416 CD ARG A 385 -0.302 34.185 31.059 1.00 25.76 C +ATOM 2417 NE ARG A 385 -0.115 35.141 32.147 1.00 26.90 N +ATOM 2418 CZ ARG A 385 -0.523 36.405 32.124 1.00 30.75 C +ATOM 2419 NH1 ARG A 385 -1.153 36.892 31.052 1.00 31.93 N +ATOM 2420 NH2 ARG A 385 -0.298 37.198 33.181 1.00 29.73 N +ATOM 2421 N ASP A 386 5.544 32.390 31.033 1.00 25.58 N +ATOM 2422 CA ASP A 386 6.882 32.999 30.965 1.00 26.66 C +ATOM 2423 C ASP A 386 7.968 31.927 30.945 1.00 25.88 C +ATOM 2424 O ASP A 386 9.033 32.090 31.557 1.00 24.94 O +ATOM 2425 CB ASP A 386 7.052 33.919 32.185 1.00 26.70 C +ATOM 2426 CG ASP A 386 7.995 35.114 31.942 1.00 31.51 C +ATOM 2427 OD1 ASP A 386 8.312 35.469 30.781 1.00 33.96 O +ATOM 2428 OD2 ASP A 386 8.471 35.757 32.902 1.00 31.88 O +ATOM 2429 N LEU A 387 7.680 30.830 30.261 1.00 25.36 N +ATOM 2430 CA LEU A 387 8.572 29.681 30.201 1.00 25.61 C +ATOM 2431 C LEU A 387 9.722 29.950 29.213 1.00 26.05 C +ATOM 2432 O LEU A 387 9.500 30.316 28.045 1.00 25.56 O +ATOM 2433 CB LEU A 387 7.772 28.426 29.820 1.00 26.48 C +ATOM 2434 CG LEU A 387 8.458 27.068 29.859 1.00 29.32 C +ATOM 2435 CD1 LEU A 387 9.040 26.778 31.247 1.00 32.10 C +ATOM 2436 CD2 LEU A 387 7.503 25.967 29.461 1.00 29.74 C +ATOM 2437 N ARG A 388 10.950 29.798 29.718 1.00 23.55 N +ATOM 2438 CA ARG A 388 12.175 29.974 28.946 1.00 22.89 C +ATOM 2439 C ARG A 388 13.351 29.597 29.856 1.00 22.53 C +ATOM 2440 O ARG A 388 13.174 29.497 31.080 1.00 19.10 O +ATOM 2441 CB ARG A 388 12.325 31.410 28.394 1.00 22.84 C +ATOM 2442 CG ARG A 388 12.398 32.577 29.368 1.00 26.83 C +ATOM 2443 CD ARG A 388 12.566 33.928 28.630 1.00 32.56 C +ATOM 2444 NE ARG A 388 12.806 35.076 29.515 1.00 36.96 N +ATOM 2445 CZ ARG A 388 11.854 35.715 30.174 1.00 42.12 C +ATOM 2446 NH1 ARG A 388 10.602 35.333 30.055 1.00 43.95 N +ATOM 2447 NH2 ARG A 388 12.136 36.738 30.968 1.00 43.15 N +ATOM 2448 N ALA A 389 14.521 29.359 29.267 1.00 22.26 N +ATOM 2449 CA ALA A 389 15.659 28.862 30.039 1.00 21.49 C +ATOM 2450 C ALA A 389 16.093 29.848 31.131 1.00 21.58 C +ATOM 2451 O ALA A 389 16.612 29.432 32.161 1.00 22.26 O +ATOM 2452 CB ALA A 389 16.833 28.491 29.135 1.00 21.41 C +ATOM 2453 N ALA A 390 15.847 31.138 30.931 1.00 22.47 N +ATOM 2454 CA ALA A 390 16.176 32.147 31.930 1.00 22.88 C +ATOM 2455 C ALA A 390 15.340 31.994 33.225 1.00 23.75 C +ATOM 2456 O ALA A 390 15.763 32.444 34.288 1.00 21.68 O +ATOM 2457 CB ALA A 390 15.997 33.586 31.328 1.00 24.92 C +ATOM 2458 N ASN A 391 14.186 31.345 33.121 1.00 21.71 N +ATOM 2459 CA ASN A 391 13.267 31.124 34.227 1.00 22.90 C +ATOM 2460 C ASN A 391 13.201 29.679 34.730 1.00 22.86 C +ATOM 2461 O ASN A 391 12.259 29.303 35.416 1.00 24.15 O +ATOM 2462 CB ASN A 391 11.867 31.632 33.825 1.00 22.62 C +ATOM 2463 CG ASN A 391 11.824 33.146 33.697 1.00 24.39 C +ATOM 2464 OD1 ASN A 391 12.709 33.832 34.216 1.00 25.65 O +ATOM 2465 ND2 ASN A 391 10.825 33.674 33.004 1.00 22.66 N +ATOM 2466 N ILE A 392 14.192 28.866 34.367 1.00 21.52 N +ATOM 2467 CA ILE A 392 14.421 27.574 34.988 1.00 19.86 C +ATOM 2468 C ILE A 392 15.634 27.762 35.891 1.00 20.45 C +ATOM 2469 O ILE A 392 16.616 28.427 35.504 1.00 20.88 O +ATOM 2470 CB ILE A 392 14.725 26.486 33.910 1.00 19.61 C +ATOM 2471 CG1 ILE A 392 13.609 26.388 32.862 1.00 21.56 C +ATOM 2472 CG2 ILE A 392 15.016 25.135 34.566 1.00 20.84 C +ATOM 2473 CD1 ILE A 392 12.258 26.060 33.421 1.00 21.48 C +ATOM 2474 N LEU A 393 15.606 27.167 37.081 1.00 19.79 N +ATOM 2475 CA LEU A 393 16.753 27.204 37.982 1.00 19.06 C +ATOM 2476 C LEU A 393 17.357 25.812 38.135 1.00 21.80 C +ATOM 2477 O LEU A 393 16.651 24.796 38.021 1.00 21.85 O +ATOM 2478 CB LEU A 393 16.352 27.767 39.350 1.00 20.24 C +ATOM 2479 CG LEU A 393 15.970 29.243 39.359 1.00 21.90 C +ATOM 2480 CD1 LEU A 393 15.271 29.642 40.653 1.00 24.03 C +ATOM 2481 CD2 LEU A 393 17.237 30.082 39.112 1.00 24.19 C +ATOM 2482 N VAL A 394 18.666 25.786 38.390 1.00 20.19 N +ATOM 2483 CA VAL A 394 19.461 24.561 38.392 1.00 20.80 C +ATOM 2484 C VAL A 394 20.133 24.359 39.756 1.00 20.86 C +ATOM 2485 O VAL A 394 20.573 25.320 40.420 1.00 20.00 O +ATOM 2486 CB VAL A 394 20.506 24.587 37.250 1.00 20.99 C +ATOM 2487 CG1 VAL A 394 21.313 23.325 37.182 1.00 22.03 C +ATOM 2488 CG2 VAL A 394 19.823 24.828 35.917 1.00 22.00 C +ATOM 2489 N GLY A 395 20.175 23.101 40.176 1.00 20.81 N +ATOM 2490 CA GLY A 395 20.906 22.658 41.356 1.00 21.78 C +ATOM 2491 C GLY A 395 22.014 21.693 40.963 1.00 22.24 C +ATOM 2492 O GLY A 395 22.263 21.457 39.779 1.00 25.43 O +ATOM 2493 N GLU A 396 22.685 21.114 41.953 1.00 23.94 N +ATOM 2494 CA GLU A 396 23.693 20.083 41.692 1.00 23.95 C +ATOM 2495 C GLU A 396 23.080 18.903 40.976 1.00 24.50 C +ATOM 2496 O GLU A 396 21.873 18.650 41.076 1.00 21.89 O +ATOM 2497 CB GLU A 396 24.321 19.589 42.996 1.00 25.98 C +ATOM 2498 CG GLU A 396 25.126 20.663 43.690 1.00 29.40 C +ATOM 2499 CD GLU A 396 25.896 20.137 44.877 1.00 34.86 C +ATOM 2500 OE1 GLU A 396 25.964 18.901 45.050 1.00 37.38 O +ATOM 2501 OE2 GLU A 396 26.443 20.972 45.619 1.00 35.29 O +ATOM 2502 N ASN A 397 23.928 18.195 40.231 1.00 23.86 N +ATOM 2503 CA ASN A 397 23.558 16.990 39.514 1.00 25.07 C +ATOM 2504 C ASN A 397 22.489 17.167 38.470 1.00 24.23 C +ATOM 2505 O ASN A 397 21.708 16.262 38.247 1.00 23.94 O +ATOM 2506 CB ASN A 397 23.155 15.908 40.506 1.00 26.27 C +ATOM 2507 CG ASN A 397 24.303 15.464 41.335 1.00 29.91 C +ATOM 2508 OD1 ASN A 397 25.453 15.445 40.867 1.00 29.98 O +ATOM 2509 ND2 ASN A 397 24.030 15.133 42.589 1.00 36.10 N +ATOM 2510 N LEU A 398 22.486 18.331 37.826 1.00 23.76 N +ATOM 2511 CA LEU A 398 21.570 18.660 36.732 1.00 24.12 C +ATOM 2512 C LEU A 398 20.087 18.685 37.129 1.00 24.04 C +ATOM 2513 O LEU A 398 19.206 18.563 36.285 1.00 24.89 O +ATOM 2514 CB LEU A 398 21.805 17.735 35.514 1.00 25.97 C +ATOM 2515 CG LEU A 398 23.258 17.690 34.993 1.00 26.34 C +ATOM 2516 CD1 LEU A 398 23.328 16.750 33.810 1.00 32.50 C +ATOM 2517 CD2 LEU A 398 23.800 19.054 34.633 1.00 29.92 C +ATOM 2518 N VAL A 399 19.809 18.914 38.400 1.00 23.00 N +ATOM 2519 CA VAL A 399 18.430 19.082 38.835 1.00 23.96 C +ATOM 2520 C VAL A 399 17.927 20.412 38.273 1.00 23.66 C +ATOM 2521 O VAL A 399 18.594 21.434 38.421 1.00 23.63 O +ATOM 2522 CB VAL A 399 18.315 19.034 40.366 1.00 24.41 C +ATOM 2523 CG1 VAL A 399 16.890 19.423 40.820 1.00 26.17 C +ATOM 2524 CG2 VAL A 399 18.658 17.633 40.861 1.00 25.84 C +ATOM 2525 N CYS A 400 16.790 20.372 37.575 1.00 22.91 N +ATOM 2526 CA CYS A 400 16.162 21.567 36.993 1.00 24.32 C +ATOM 2527 C CYS A 400 14.768 21.747 37.540 1.00 23.83 C +ATOM 2528 O CYS A 400 14.022 20.760 37.664 1.00 22.89 O +ATOM 2529 CB CYS A 400 16.049 21.434 35.465 1.00 23.92 C +ATOM 2530 SG CYS A 400 17.627 21.548 34.645 1.00 29.18 S +ATOM 2531 N LYS A 401 14.411 22.996 37.874 1.00 21.22 N +ATOM 2532 CA LYS A 401 13.087 23.300 38.402 1.00 21.03 C +ATOM 2533 C LYS A 401 12.502 24.538 37.741 1.00 21.43 C +ATOM 2534 O LYS A 401 13.204 25.517 37.477 1.00 19.74 O +ATOM 2535 CB LYS A 401 13.120 23.503 39.922 1.00 20.80 C +ATOM 2536 CG LYS A 401 13.675 22.296 40.706 1.00 22.90 C +ATOM 2537 CD LYS A 401 13.407 22.373 42.203 1.00 21.32 C +ATOM 2538 CE LYS A 401 14.069 21.186 42.922 1.00 25.01 C +ATOM 2539 NZ LYS A 401 13.496 20.965 44.269 1.00 23.97 N +ATOM 2540 N VAL A 402 11.198 24.497 37.521 1.00 21.33 N +ATOM 2541 CA VAL A 402 10.473 25.633 36.967 1.00 22.53 C +ATOM 2542 C VAL A 402 10.377 26.701 38.046 1.00 22.02 C +ATOM 2543 O VAL A 402 10.083 26.402 39.197 1.00 21.90 O +ATOM 2544 CB VAL A 402 9.070 25.223 36.529 1.00 22.99 C +ATOM 2545 CG1 VAL A 402 8.336 26.388 35.916 1.00 26.02 C +ATOM 2546 CG2 VAL A 402 9.134 24.061 35.564 1.00 24.61 C +ATOM 2547 N ALA A 403 10.643 27.942 37.672 1.00 22.56 N +ATOM 2548 CA ALA A 403 10.642 29.053 38.614 1.00 23.78 C +ATOM 2549 C ALA A 403 9.860 30.216 37.993 1.00 24.88 C +ATOM 2550 O ALA A 403 9.211 30.037 36.967 1.00 24.82 O +ATOM 2551 CB ALA A 403 12.060 29.461 38.921 1.00 24.46 C +ATOM 2552 N ASP A 404 9.937 31.381 38.638 1.00 25.71 N +ATOM 2553 CA ASP A 404 9.346 32.642 38.173 1.00 27.19 C +ATOM 2554 C ASP A 404 7.886 32.532 37.804 1.00 25.67 C +ATOM 2555 O ASP A 404 7.493 32.601 36.636 1.00 26.14 O +ATOM 2556 CB ASP A 404 10.123 33.292 37.025 1.00 28.49 C +ATOM 2557 CG ASP A 404 9.979 34.822 37.033 1.00 34.68 C +ATOM 2558 OD1 ASP A 404 8.957 35.349 37.564 1.00 37.27 O +ATOM 2559 OD2 ASP A 404 10.853 35.582 36.570 1.00 44.17 O +ATOM 2560 N PHE A 405 7.077 32.422 38.836 1.00 24.24 N +ATOM 2561 CA PHE A 405 5.652 32.312 38.669 1.00 25.21 C +ATOM 2562 C PHE A 405 4.988 33.688 38.700 1.00 24.93 C +ATOM 2563 O PHE A 405 3.802 33.769 38.932 1.00 27.14 O +ATOM 2564 CB PHE A 405 5.104 31.384 39.740 1.00 25.65 C +ATOM 2565 CG PHE A 405 5.503 29.970 39.535 1.00 28.65 C +ATOM 2566 CD1 PHE A 405 6.680 29.492 40.086 1.00 35.45 C +ATOM 2567 CD2 PHE A 405 4.731 29.124 38.764 1.00 32.51 C +ATOM 2568 CE1 PHE A 405 7.063 28.175 39.879 1.00 38.17 C +ATOM 2569 CE2 PHE A 405 5.122 27.808 38.553 1.00 34.70 C +ATOM 2570 CZ PHE A 405 6.282 27.348 39.094 1.00 33.06 C +ATOM 2571 N GLY A 406 5.746 34.739 38.382 1.00 27.23 N +ATOM 2572 CA GLY A 406 5.274 36.119 38.443 1.00 29.54 C +ATOM 2573 C GLY A 406 4.174 36.489 37.452 1.00 30.59 C +ATOM 2574 O GLY A 406 3.520 37.526 37.615 1.00 31.46 O +ATOM 2575 N LEU A 407 3.989 35.671 36.415 1.00 30.28 N +ATOM 2576 CA LEU A 407 2.896 35.841 35.440 1.00 30.31 C +ATOM 2577 C LEU A 407 1.864 34.708 35.437 1.00 29.51 C +ATOM 2578 O LEU A 407 0.856 34.767 34.703 1.00 27.89 O +ATOM 2579 CB LEU A 407 3.487 35.991 34.032 1.00 30.49 C +ATOM 2580 CG LEU A 407 4.252 37.277 33.736 1.00 32.67 C +ATOM 2581 CD1 LEU A 407 4.705 37.301 32.287 1.00 33.91 C +ATOM 2582 CD2 LEU A 407 3.400 38.502 34.062 1.00 35.66 C +ATOM 2583 N ALA A 408 2.088 33.683 36.254 1.00 27.64 N +ATOM 2584 CA ALA A 408 1.242 32.506 36.273 1.00 27.20 C +ATOM 2585 C ALA A 408 -0.158 32.810 36.779 1.00 29.75 C +ATOM 2586 O ALA A 408 -0.352 33.716 37.590 1.00 30.16 O +ATOM 2587 CB ALA A 408 1.870 31.384 37.107 1.00 27.01 C +ATOM 2588 N ARG A 409 -1.115 32.035 36.289 1.00 30.35 N +ATOM 2589 CA ARG A 409 -2.547 32.264 36.524 1.00 33.11 C +ATOM 2590 C ARG A 409 -3.288 30.949 36.493 1.00 33.04 C +ATOM 2591 O ARG A 409 -2.937 30.042 35.739 1.00 33.13 O +ATOM 2592 CB ARG A 409 -3.145 33.136 35.420 1.00 33.01 C +ATOM 2593 CG ARG A 409 -2.621 34.553 35.372 1.00 37.67 C +ATOM 2594 CD ARG A 409 -3.017 35.292 34.107 1.00 42.69 C +ATOM 2595 NE ARG A 409 -4.443 35.631 34.101 1.00 45.36 N +ATOM 2596 CZ ARG A 409 -4.946 36.865 34.160 1.00 44.73 C +ATOM 2597 NH1 ARG A 409 -4.162 37.941 34.218 1.00 44.48 N +ATOM 2598 NH2 ARG A 409 -6.259 37.020 34.159 1.00 46.99 N +ATOM 2599 N LEU A 410 -4.330 30.852 37.305 1.00 33.78 N +ATOM 2600 CA LEU A 410 -5.315 29.798 37.170 1.00 34.74 C +ATOM 2601 C LEU A 410 -6.086 30.083 35.881 1.00 36.23 C +ATOM 2602 O LEU A 410 -6.388 31.244 35.576 1.00 35.84 O +ATOM 2603 CB LEU A 410 -6.267 29.828 38.369 1.00 36.18 C +ATOM 2604 CG LEU A 410 -7.377 28.780 38.434 1.00 38.64 C +ATOM 2605 CD1 LEU A 410 -6.787 27.403 38.638 1.00 39.95 C +ATOM 2606 CD2 LEU A 410 -8.360 29.126 39.565 1.00 41.83 C +ATOM 2607 N ILE A 411 -6.391 29.051 35.113 1.00 37.01 N +ATOM 2608 CA ILE A 411 -7.102 29.251 33.849 1.00 39.84 C +ATOM 2609 C ILE A 411 -8.584 29.386 34.147 1.00 40.92 C +ATOM 2610 O ILE A 411 -9.122 28.631 34.956 1.00 40.15 O +ATOM 2611 CB ILE A 411 -6.833 28.103 32.874 1.00 40.29 C +ATOM 2612 CG1 ILE A 411 -5.450 28.312 32.250 1.00 42.63 C +ATOM 2613 CG2 ILE A 411 -7.911 28.035 31.776 1.00 41.69 C +ATOM 2614 CD1 ILE A 411 -4.868 27.091 31.671 1.00 45.90 C +ATOM 2615 N GLU A 412 -9.219 30.376 33.518 1.00 42.47 N +ATOM 2616 CA GLU A 412 -10.655 30.620 33.669 1.00 44.15 C +ATOM 2617 C GLU A 412 -11.300 30.513 32.295 1.00 44.24 C +ATOM 2618 O GLU A 412 -10.661 30.778 31.267 1.00 43.10 O +ATOM 2619 CB GLU A 412 -10.916 32.010 34.269 1.00 45.44 C +ATOM 2620 CG GLU A 412 -10.176 32.291 35.578 1.00 49.71 C +ATOM 2621 CD GLU A 412 -10.214 33.759 35.996 1.00 54.22 C +ATOM 2622 OE1 GLU A 412 -10.701 34.621 35.219 1.00 58.77 O +ATOM 2623 OE2 GLU A 412 -9.747 34.056 37.119 1.00 58.04 O +ATOM 2624 N ASP A 413 -12.573 30.141 32.275 1.00 44.05 N +ATOM 2625 CA ASP A 413 -13.264 29.884 31.026 1.00 44.89 C +ATOM 2626 C ASP A 413 -13.792 31.180 30.374 1.00 44.03 C +ATOM 2627 O ASP A 413 -14.923 31.220 29.900 1.00 43.81 O +ATOM 2628 CB ASP A 413 -14.404 28.877 31.258 1.00 45.93 C +ATOM 2629 CG ASP A 413 -14.698 28.040 30.032 1.00 48.02 C +ATOM 2630 OD1 ASP A 413 -13.928 28.137 29.052 1.00 52.38 O +ATOM 2631 OD2 ASP A 413 -15.681 27.268 29.945 1.00 53.02 O +ATOM 2632 N ASN A 414 -12.967 32.232 30.366 1.00 42.74 N +ATOM 2633 CA ASN A 414 -13.273 33.481 29.654 1.00 41.52 C +ATOM 2634 C ASN A 414 -11.991 34.167 29.167 1.00 40.91 C +ATOM 2635 O ASN A 414 -10.880 33.748 29.509 1.00 38.68 O +ATOM 2636 CB ASN A 414 -14.083 34.435 30.545 1.00 40.74 C +ATOM 2637 CG ASN A 414 -13.404 34.713 31.871 1.00 41.37 C +ATOM 2638 OD1 ASN A 414 -13.741 34.101 32.882 1.00 41.23 O +ATOM 2639 ND2 ASN A 414 -12.428 35.634 31.870 1.00 38.69 N +ATOM 2640 N GLU A 415 -12.152 35.214 28.362 1.00 39.57 N +ATOM 2641 CA GLU A 415 -11.017 36.012 27.912 1.00 40.05 C +ATOM 2642 C GLU A 415 -10.703 37.113 28.936 1.00 39.57 C +ATOM 2643 O GLU A 415 -11.487 37.394 29.850 1.00 37.99 O +ATOM 2644 CB GLU A 415 -11.294 36.631 26.530 1.00 40.46 C +ATOM 2645 CG GLU A 415 -11.508 35.614 25.414 1.00 40.74 C +ATOM 2646 CD GLU A 415 -10.286 34.718 25.156 1.00 43.77 C +ATOM 2647 OE1 GLU A 415 -9.192 35.246 24.841 1.00 45.28 O +ATOM 2648 OE2 GLU A 415 -10.413 33.481 25.261 1.00 42.67 O +ATOM 2649 N TYR A 416 -9.530 37.713 28.784 1.00 39.08 N +ATOM 2650 CA TYR A 416 -9.154 38.884 29.572 1.00 38.98 C +ATOM 2651 C TYR A 416 -8.185 39.728 28.752 1.00 38.73 C +ATOM 2652 O TYR A 416 -7.512 39.210 27.850 1.00 36.82 O +ATOM 2653 CB TYR A 416 -8.530 38.463 30.907 1.00 39.51 C +ATOM 2654 CG TYR A 416 -7.257 37.644 30.753 1.00 40.97 C +ATOM 2655 CD1 TYR A 416 -6.008 38.271 30.723 1.00 41.81 C +ATOM 2656 CD2 TYR A 416 -7.305 36.253 30.610 1.00 40.74 C +ATOM 2657 CE1 TYR A 416 -4.840 37.544 30.575 1.00 41.61 C +ATOM 2658 CE2 TYR A 416 -6.134 35.506 30.464 1.00 40.49 C +ATOM 2659 CZ TYR A 416 -4.902 36.164 30.448 1.00 41.13 C +ATOM 2660 OH TYR A 416 -3.731 35.466 30.298 1.00 34.05 O +ATOM 2661 N THR A 417 -8.167 41.029 29.030 1.00 37.80 N +ATOM 2662 CA THR A 417 -7.215 41.946 28.422 1.00 37.98 C +ATOM 2663 C THR A 417 -5.868 41.748 29.107 1.00 38.81 C +ATOM 2664 O THR A 417 -5.718 42.066 30.285 1.00 37.20 O +ATOM 2665 CB THR A 417 -7.689 43.405 28.592 1.00 38.56 C +ATOM 2666 OG1 THR A 417 -8.951 43.604 27.930 1.00 35.85 O +ATOM 2667 CG2 THR A 417 -6.731 44.367 27.893 1.00 39.70 C +ATOM 2668 N ALA A 418 -4.902 41.194 28.379 1.00 39.36 N +ATOM 2669 CA ALA A 418 -3.566 40.975 28.923 1.00 40.13 C +ATOM 2670 C ALA A 418 -2.809 42.296 29.055 1.00 40.73 C +ATOM 2671 O ALA A 418 -3.027 43.238 28.284 1.00 39.52 O +ATOM 2672 CB ALA A 418 -2.785 39.998 28.036 1.00 40.61 C +ATOM 2673 N ARG A 419 -1.920 42.355 30.042 1.00 41.66 N +ATOM 2674 CA ARG A 419 -0.970 43.453 30.159 1.00 43.14 C +ATOM 2675 C ARG A 419 -0.084 43.446 28.923 1.00 42.97 C +ATOM 2676 O ARG A 419 0.254 42.370 28.404 1.00 42.20 O +ATOM 2677 CB ARG A 419 -0.087 43.301 31.407 1.00 44.17 C +ATOM 2678 CG ARG A 419 -0.827 43.349 32.733 1.00 47.74 C +ATOM 2679 CD ARG A 419 -1.268 44.732 33.154 1.00 53.10 C +ATOM 2680 NE ARG A 419 -2.243 44.676 34.245 1.00 57.70 N +ATOM 2681 CZ ARG A 419 -2.858 45.737 34.771 1.00 61.40 C +ATOM 2682 NH1 ARG A 419 -2.608 46.965 34.318 1.00 63.07 N +ATOM 2683 NH2 ARG A 419 -3.730 45.571 35.762 1.00 62.65 N +ATOM 2684 N GLN A 420 0.293 44.642 28.470 1.00 43.12 N +ATOM 2685 CA GLN A 420 1.161 44.824 27.301 1.00 43.66 C +ATOM 2686 C GLN A 420 2.473 44.040 27.425 1.00 42.10 C +ATOM 2687 O GLN A 420 3.041 43.615 26.419 1.00 41.57 O +ATOM 2688 CB GLN A 420 1.467 46.318 27.084 1.00 44.81 C +ATOM 2689 CG GLN A 420 2.265 46.988 28.230 1.00 48.57 C +ATOM 2690 CD GLN A 420 2.853 48.339 27.845 1.00 53.00 C +ATOM 2691 OE1 GLN A 420 2.747 48.771 26.689 1.00 55.03 O +ATOM 2692 NE2 GLN A 420 3.484 49.007 28.811 1.00 55.68 N +ATOM 2693 N GLY A 421 2.935 43.854 28.663 1.00 40.26 N +ATOM 2694 CA GLY A 421 4.215 43.233 28.937 1.00 39.16 C +ATOM 2695 C GLY A 421 4.243 41.719 28.898 1.00 38.52 C +ATOM 2696 O GLY A 421 5.324 41.146 28.770 1.00 36.34 O +ATOM 2697 N ALA A 422 3.085 41.057 29.001 1.00 37.63 N +ATOM 2698 CA ALA A 422 3.065 39.580 29.115 1.00 37.88 C +ATOM 2699 C ALA A 422 3.624 38.831 27.884 1.00 37.11 C +ATOM 2700 O ALA A 422 4.188 37.740 28.026 1.00 34.98 O +ATOM 2701 CB ALA A 422 1.666 39.082 29.429 1.00 38.18 C +ATOM 2702 N LYS A 423 3.476 39.425 26.698 1.00 35.46 N +ATOM 2703 CA LYS A 423 3.908 38.793 25.439 1.00 35.73 C +ATOM 2704 C LYS A 423 5.433 38.800 25.232 1.00 36.11 C +ATOM 2705 O LYS A 423 5.947 38.134 24.326 1.00 34.29 O +ATOM 2706 CB LYS A 423 3.216 39.461 24.234 1.00 35.74 C +ATOM 2707 CG LYS A 423 3.600 40.933 23.996 1.00 36.24 C +ATOM 2708 CD LYS A 423 2.920 41.515 22.762 1.00 37.39 C +ATOM 2709 CE LYS A 423 1.545 42.110 23.090 1.00 36.99 C +ATOM 2710 NZ LYS A 423 1.633 43.245 24.055 1.00 34.38 N +ATOM 2711 N PHE A 424 6.141 39.575 26.051 1.00 35.87 N +ATOM 2712 CA PHE A 424 7.580 39.731 25.918 1.00 35.76 C +ATOM 2713 C PHE A 424 8.271 38.857 26.966 1.00 36.22 C +ATOM 2714 O PHE A 424 7.780 38.747 28.097 1.00 35.32 O +ATOM 2715 CB PHE A 424 7.972 41.204 26.107 1.00 36.26 C +ATOM 2716 CG PHE A 424 7.318 42.132 25.109 1.00 36.01 C +ATOM 2717 CD1 PHE A 424 7.723 42.137 23.786 1.00 38.53 C +ATOM 2718 CD2 PHE A 424 6.272 42.974 25.493 1.00 39.70 C +ATOM 2719 CE1 PHE A 424 7.109 42.980 22.840 1.00 40.46 C +ATOM 2720 CE2 PHE A 424 5.656 43.834 24.559 1.00 41.16 C +ATOM 2721 CZ PHE A 424 6.080 43.833 23.231 1.00 41.43 C +ATOM 2722 N PRO A 425 9.399 38.239 26.620 1.00 34.86 N +ATOM 2723 CA PRO A 425 10.048 38.338 25.296 1.00 33.94 C +ATOM 2724 C PRO A 425 9.338 37.588 24.150 1.00 31.71 C +ATOM 2725 O PRO A 425 8.918 36.440 24.293 1.00 30.87 O +ATOM 2726 CB PRO A 425 11.433 37.731 25.552 1.00 34.13 C +ATOM 2727 CG PRO A 425 11.203 36.760 26.655 1.00 35.12 C +ATOM 2728 CD PRO A 425 10.171 37.400 27.554 1.00 35.72 C +ATOM 2729 N ILE A 426 9.256 38.240 22.995 1.00 29.23 N +ATOM 2730 CA ILE A 426 8.447 37.766 21.878 1.00 28.56 C +ATOM 2731 C ILE A 426 8.881 36.435 21.238 1.00 26.97 C +ATOM 2732 O ILE A 426 8.049 35.687 20.750 1.00 25.65 O +ATOM 2733 CB ILE A 426 8.342 38.880 20.798 1.00 29.77 C +ATOM 2734 CG1 ILE A 426 7.157 38.616 19.872 1.00 32.64 C +ATOM 2735 CG2 ILE A 426 9.638 39.029 20.025 1.00 29.24 C +ATOM 2736 CD1 ILE A 426 5.815 38.959 20.499 1.00 36.01 C +ATOM 2737 N LYS A 427 10.172 36.139 21.256 1.00 25.73 N +ATOM 2738 CA LYS A 427 10.680 34.928 20.601 1.00 24.74 C +ATOM 2739 C LYS A 427 10.226 33.612 21.271 1.00 23.34 C +ATOM 2740 O LYS A 427 10.342 32.546 20.666 1.00 22.57 O +ATOM 2741 CB LYS A 427 12.207 34.992 20.471 1.00 24.53 C +ATOM 2742 CG LYS A 427 12.678 35.975 19.382 1.00 24.86 C +ATOM 2743 CD LYS A 427 14.201 36.209 19.399 1.00 27.12 C +ATOM 2744 CE LYS A 427 14.691 36.877 18.097 1.00 27.00 C +ATOM 2745 NZ LYS A 427 16.160 36.904 17.997 1.00 25.55 N +ATOM 2746 N TRP A 428 9.687 33.683 22.491 1.00 23.81 N +ATOM 2747 CA TRP A 428 9.139 32.505 23.168 1.00 23.27 C +ATOM 2748 C TRP A 428 7.609 32.418 23.160 1.00 25.47 C +ATOM 2749 O TRP A 428 7.040 31.473 23.717 1.00 26.27 O +ATOM 2750 CB TRP A 428 9.610 32.461 24.634 1.00 24.40 C +ATOM 2751 CG TRP A 428 11.046 32.097 24.783 1.00 20.72 C +ATOM 2752 CD1 TRP A 428 11.542 30.877 25.107 1.00 22.42 C +ATOM 2753 CD2 TRP A 428 12.175 32.957 24.634 1.00 22.90 C +ATOM 2754 NE1 TRP A 428 12.911 30.925 25.198 1.00 20.42 N +ATOM 2755 CE2 TRP A 428 13.331 32.182 24.872 1.00 21.42 C +ATOM 2756 CE3 TRP A 428 12.337 34.303 24.316 1.00 24.87 C +ATOM 2757 CZ2 TRP A 428 14.608 32.715 24.817 1.00 22.12 C +ATOM 2758 CZ3 TRP A 428 13.616 34.823 24.251 1.00 26.39 C +ATOM 2759 CH2 TRP A 428 14.725 34.035 24.508 1.00 24.70 C +ATOM 2760 N THR A 429 6.932 33.387 22.551 1.00 25.70 N +ATOM 2761 CA THR A 429 5.496 33.521 22.743 1.00 25.44 C +ATOM 2762 C THR A 429 4.724 33.023 21.521 1.00 24.89 C +ATOM 2763 O THR A 429 5.003 33.431 20.401 1.00 24.79 O +ATOM 2764 CB THR A 429 5.149 35.001 23.054 1.00 25.62 C +ATOM 2765 OG1 THR A 429 5.804 35.396 24.271 1.00 26.03 O +ATOM 2766 CG2 THR A 429 3.677 35.171 23.370 1.00 25.42 C +ATOM 2767 N ALA A 430 3.758 32.141 21.741 1.00 24.30 N +ATOM 2768 CA ALA A 430 2.967 31.609 20.645 1.00 25.22 C +ATOM 2769 C ALA A 430 2.172 32.757 20.009 1.00 24.59 C +ATOM 2770 O ALA A 430 1.777 33.692 20.708 1.00 22.66 O +ATOM 2771 CB ALA A 430 2.035 30.533 21.132 1.00 25.70 C +ATOM 2772 N PRO A 431 1.953 32.692 18.699 1.00 26.00 N +ATOM 2773 CA PRO A 431 1.289 33.781 17.956 1.00 27.20 C +ATOM 2774 C PRO A 431 -0.078 34.190 18.503 1.00 26.56 C +ATOM 2775 O PRO A 431 -0.369 35.371 18.542 1.00 26.72 O +ATOM 2776 CB PRO A 431 1.110 33.198 16.544 1.00 27.44 C +ATOM 2777 CG PRO A 431 2.049 32.084 16.446 1.00 27.98 C +ATOM 2778 CD PRO A 431 2.339 31.575 17.817 1.00 26.62 C +ATOM 2779 N GLU A 432 -0.899 33.223 18.893 1.00 26.43 N +ATOM 2780 CA GLU A 432 -2.241 33.509 19.368 1.00 25.60 C +ATOM 2781 C GLU A 432 -2.228 34.179 20.746 1.00 25.49 C +ATOM 2782 O GLU A 432 -3.132 34.938 21.077 1.00 24.27 O +ATOM 2783 CB GLU A 432 -3.102 32.235 19.350 1.00 27.33 C +ATOM 2784 CG GLU A 432 -2.886 31.250 20.491 1.00 28.04 C +ATOM 2785 CD GLU A 432 -1.699 30.302 20.296 1.00 29.43 C +ATOM 2786 OE1 GLU A 432 -1.026 30.333 19.229 1.00 26.41 O +ATOM 2787 OE2 GLU A 432 -1.436 29.524 21.243 1.00 28.36 O +ATOM 2788 N ALA A 433 -1.196 33.889 21.547 1.00 24.64 N +ATOM 2789 CA ALA A 433 -0.969 34.587 22.805 1.00 23.96 C +ATOM 2790 C ALA A 433 -0.476 36.001 22.546 1.00 23.46 C +ATOM 2791 O ALA A 433 -0.939 36.941 23.178 1.00 24.45 O +ATOM 2792 CB ALA A 433 0.020 33.816 23.672 1.00 24.09 C +ATOM 2793 N ALA A 434 0.448 36.164 21.608 1.00 23.79 N +ATOM 2794 CA ALA A 434 1.039 37.472 21.324 1.00 25.08 C +ATOM 2795 C ALA A 434 0.053 38.416 20.636 1.00 26.11 C +ATOM 2796 O ALA A 434 0.022 39.618 20.941 1.00 26.31 O +ATOM 2797 CB ALA A 434 2.284 37.321 20.457 1.00 26.28 C +ATOM 2798 N LEU A 435 -0.754 37.863 19.730 1.00 24.96 N +ATOM 2799 CA LEU A 435 -1.687 38.660 18.926 1.00 25.47 C +ATOM 2800 C LEU A 435 -3.018 38.927 19.617 1.00 24.41 C +ATOM 2801 O LEU A 435 -3.546 40.033 19.509 1.00 24.26 O +ATOM 2802 CB LEU A 435 -1.946 37.981 17.576 1.00 25.15 C +ATOM 2803 CG LEU A 435 -0.751 37.944 16.616 1.00 28.41 C +ATOM 2804 CD1 LEU A 435 -1.020 37.031 15.445 1.00 30.54 C +ATOM 2805 CD2 LEU A 435 -0.420 39.350 16.140 1.00 30.82 C +ATOM 2806 N TYR A 436 -3.560 37.927 20.305 1.00 23.00 N +ATOM 2807 CA TYR A 436 -4.920 37.998 20.830 1.00 23.45 C +ATOM 2808 C TYR A 436 -5.025 37.791 22.348 1.00 23.58 C +ATOM 2809 O TYR A 436 -6.116 37.756 22.886 1.00 24.06 O +ATOM 2810 CB TYR A 436 -5.823 36.997 20.090 1.00 22.59 C +ATOM 2811 CG TYR A 436 -5.818 37.158 18.587 1.00 22.00 C +ATOM 2812 CD1 TYR A 436 -6.318 38.312 17.992 1.00 24.51 C +ATOM 2813 CD2 TYR A 436 -5.331 36.147 17.747 1.00 23.66 C +ATOM 2814 CE1 TYR A 436 -6.328 38.465 16.627 1.00 21.88 C +ATOM 2815 CE2 TYR A 436 -5.328 36.296 16.367 1.00 22.56 C +ATOM 2816 CZ TYR A 436 -5.836 37.458 15.813 1.00 25.02 C +ATOM 2817 OH TYR A 436 -5.848 37.659 14.454 1.00 23.42 O +ATOM 2818 N GLY A 437 -3.894 37.648 23.031 1.00 24.04 N +ATOM 2819 CA GLY A 437 -3.888 37.429 24.460 1.00 24.28 C +ATOM 2820 C GLY A 437 -4.441 36.093 24.913 1.00 24.15 C +ATOM 2821 O GLY A 437 -4.876 35.974 26.046 1.00 23.36 O +ATOM 2822 N ARG A 438 -4.450 35.100 24.032 1.00 23.71 N +ATOM 2823 CA ARG A 438 -4.972 33.784 24.379 1.00 25.17 C +ATOM 2824 C ARG A 438 -3.839 32.898 24.930 1.00 25.63 C +ATOM 2825 O ARG A 438 -3.282 32.050 24.227 1.00 24.12 O +ATOM 2826 CB ARG A 438 -5.650 33.148 23.169 1.00 24.83 C +ATOM 2827 CG ARG A 438 -7.000 33.772 22.846 1.00 30.71 C +ATOM 2828 CD ARG A 438 -7.903 32.898 22.008 1.00 34.71 C +ATOM 2829 NE ARG A 438 -7.329 32.615 20.702 1.00 37.85 N +ATOM 2830 CZ ARG A 438 -7.471 33.387 19.622 1.00 40.39 C +ATOM 2831 NH1 ARG A 438 -8.160 34.535 19.676 1.00 40.15 N +ATOM 2832 NH2 ARG A 438 -6.904 33.013 18.487 1.00 40.07 N +ATOM 2833 N PHE A 439 -3.514 33.129 26.197 1.00 25.58 N +ATOM 2834 CA PHE A 439 -2.478 32.376 26.896 1.00 26.70 C +ATOM 2835 C PHE A 439 -3.137 31.157 27.524 1.00 27.13 C +ATOM 2836 O PHE A 439 -4.062 31.287 28.342 1.00 27.48 O +ATOM 2837 CB PHE A 439 -1.846 33.227 27.994 1.00 26.62 C +ATOM 2838 CG PHE A 439 -0.974 34.353 27.489 1.00 27.09 C +ATOM 2839 CD1 PHE A 439 0.390 34.170 27.314 1.00 25.38 C +ATOM 2840 CD2 PHE A 439 -1.510 35.609 27.248 1.00 28.19 C +ATOM 2841 CE1 PHE A 439 1.201 35.226 26.887 1.00 26.07 C +ATOM 2842 CE2 PHE A 439 -0.708 36.658 26.806 1.00 29.22 C +ATOM 2843 CZ PHE A 439 0.648 36.463 26.632 1.00 28.75 C +ATOM 2844 N THR A 440 -2.698 29.979 27.107 1.00 25.77 N +ATOM 2845 CA THR A 440 -3.196 28.718 27.624 1.00 25.95 C +ATOM 2846 C THR A 440 -2.035 27.756 27.834 1.00 26.23 C +ATOM 2847 O THR A 440 -0.900 28.072 27.492 1.00 25.01 O +ATOM 2848 CB THR A 440 -4.163 28.115 26.612 1.00 25.91 C +ATOM 2849 OG1 THR A 440 -3.451 27.712 25.433 1.00 26.97 O +ATOM 2850 CG2 THR A 440 -5.180 29.151 26.125 1.00 27.66 C +ATOM 2851 N ILE A 441 -2.313 26.566 28.355 1.00 25.58 N +ATOM 2852 CA ILE A 441 -1.268 25.559 28.483 1.00 25.28 C +ATOM 2853 C ILE A 441 -0.613 25.216 27.134 1.00 25.13 C +ATOM 2854 O ILE A 441 0.563 24.855 27.093 1.00 23.43 O +ATOM 2855 CB ILE A 441 -1.770 24.282 29.233 1.00 25.56 C +ATOM 2856 CG1 ILE A 441 -0.591 23.460 29.769 1.00 25.64 C +ATOM 2857 CG2 ILE A 441 -2.601 23.375 28.311 1.00 27.32 C +ATOM 2858 CD1 ILE A 441 0.279 24.163 30.822 1.00 24.94 C +ATOM 2859 N LYS A 442 -1.358 25.374 26.037 1.00 24.16 N +ATOM 2860 CA LYS A 442 -0.823 25.155 24.703 1.00 23.99 C +ATOM 2861 C LYS A 442 0.146 26.242 24.242 1.00 24.44 C +ATOM 2862 O LYS A 442 1.030 25.964 23.430 1.00 23.63 O +ATOM 2863 CB LYS A 442 -1.959 25.014 23.681 1.00 25.00 C +ATOM 2864 CG LYS A 442 -2.785 23.740 23.845 1.00 25.56 C +ATOM 2865 CD LYS A 442 -1.951 22.472 23.982 1.00 27.43 C +ATOM 2866 CE LYS A 442 -2.822 21.231 23.757 1.00 31.64 C +ATOM 2867 NZ LYS A 442 -2.120 19.955 24.036 1.00 29.52 N +ATOM 2868 N SER A 443 -0.013 27.470 24.737 1.00 23.06 N +ATOM 2869 CA SER A 443 0.973 28.507 24.468 1.00 23.15 C +ATOM 2870 C SER A 443 2.225 28.270 25.325 1.00 23.49 C +ATOM 2871 O SER A 443 3.335 28.561 24.886 1.00 24.08 O +ATOM 2872 CB SER A 443 0.393 29.919 24.598 1.00 23.00 C +ATOM 2873 OG SER A 443 -0.148 30.214 25.869 1.00 22.36 O +ATOM 2874 N ASP A 444 2.068 27.670 26.500 1.00 23.10 N +ATOM 2875 CA ASP A 444 3.254 27.198 27.247 1.00 22.59 C +ATOM 2876 C ASP A 444 3.976 26.070 26.489 1.00 22.91 C +ATOM 2877 O ASP A 444 5.205 25.968 26.554 1.00 22.10 O +ATOM 2878 CB ASP A 444 2.907 26.698 28.636 1.00 21.92 C +ATOM 2879 CG ASP A 444 2.608 27.810 29.640 1.00 24.26 C +ATOM 2880 OD1 ASP A 444 2.892 29.020 29.426 1.00 25.47 O +ATOM 2881 OD2 ASP A 444 2.075 27.513 30.723 1.00 27.52 O +ATOM 2882 N VAL A 445 3.231 25.209 25.793 1.00 22.32 N +ATOM 2883 CA VAL A 445 3.861 24.123 25.019 1.00 22.57 C +ATOM 2884 C VAL A 445 4.743 24.695 23.906 1.00 22.87 C +ATOM 2885 O VAL A 445 5.853 24.194 23.666 1.00 22.18 O +ATOM 2886 CB VAL A 445 2.826 23.122 24.457 1.00 22.86 C +ATOM 2887 CG1 VAL A 445 3.416 22.263 23.347 1.00 23.34 C +ATOM 2888 CG2 VAL A 445 2.298 22.222 25.574 1.00 23.13 C +ATOM 2889 N TRP A 446 4.258 25.740 23.232 1.00 22.54 N +ATOM 2890 CA TRP A 446 5.040 26.460 22.227 1.00 21.83 C +ATOM 2891 C TRP A 446 6.349 26.974 22.837 1.00 22.28 C +ATOM 2892 O TRP A 446 7.436 26.748 22.295 1.00 19.48 O +ATOM 2893 CB TRP A 446 4.236 27.634 21.674 1.00 23.33 C +ATOM 2894 CG TRP A 446 4.959 28.452 20.666 1.00 23.09 C +ATOM 2895 CD1 TRP A 446 5.998 29.300 20.896 1.00 25.08 C +ATOM 2896 CD2 TRP A 446 4.693 28.519 19.259 1.00 24.30 C +ATOM 2897 NE1 TRP A 446 6.404 29.877 19.718 1.00 23.30 N +ATOM 2898 CE2 TRP A 446 5.618 29.420 18.699 1.00 23.90 C +ATOM 2899 CE3 TRP A 446 3.745 27.920 18.411 1.00 25.49 C +ATOM 2900 CZ2 TRP A 446 5.638 29.730 17.342 1.00 25.81 C +ATOM 2901 CZ3 TRP A 446 3.765 28.229 17.070 1.00 23.97 C +ATOM 2902 CH2 TRP A 446 4.711 29.117 16.543 1.00 24.41 C +ATOM 2903 N SER A 447 6.241 27.647 23.976 1.00 21.17 N +ATOM 2904 CA SER A 447 7.418 28.169 24.660 1.00 22.05 C +ATOM 2905 C SER A 447 8.389 27.025 25.015 1.00 21.01 C +ATOM 2906 O SER A 447 9.592 27.200 24.968 1.00 20.62 O +ATOM 2907 CB SER A 447 7.031 28.908 25.942 1.00 22.09 C +ATOM 2908 OG SER A 447 6.021 29.889 25.726 1.00 25.44 O +ATOM 2909 N PHE A 448 7.855 25.863 25.373 1.00 20.79 N +ATOM 2910 CA PHE A 448 8.696 24.722 25.710 1.00 20.57 C +ATOM 2911 C PHE A 448 9.496 24.240 24.511 1.00 21.68 C +ATOM 2912 O PHE A 448 10.667 23.909 24.642 1.00 20.67 O +ATOM 2913 CB PHE A 448 7.866 23.580 26.300 1.00 21.00 C +ATOM 2914 CG PHE A 448 8.686 22.384 26.689 1.00 20.26 C +ATOM 2915 CD1 PHE A 448 9.350 22.349 27.905 1.00 23.18 C +ATOM 2916 CD2 PHE A 448 8.799 21.303 25.843 1.00 20.48 C +ATOM 2917 CE1 PHE A 448 10.091 21.234 28.270 1.00 25.48 C +ATOM 2918 CE2 PHE A 448 9.543 20.205 26.182 1.00 22.22 C +ATOM 2919 CZ PHE A 448 10.199 20.159 27.396 1.00 23.74 C +ATOM 2920 N GLY A 449 8.874 24.235 23.331 1.00 22.35 N +ATOM 2921 CA GLY A 449 9.591 23.951 22.105 1.00 23.01 C +ATOM 2922 C GLY A 449 10.754 24.894 21.880 1.00 22.61 C +ATOM 2923 O GLY A 449 11.830 24.464 21.470 1.00 22.67 O +ATOM 2924 N ILE A 450 10.555 26.184 22.159 1.00 22.20 N +ATOM 2925 CA ILE A 450 11.619 27.172 22.011 1.00 21.00 C +ATOM 2926 C ILE A 450 12.714 26.872 23.052 1.00 22.37 C +ATOM 2927 O ILE A 450 13.894 26.904 22.731 1.00 21.54 O +ATOM 2928 CB ILE A 450 11.096 28.616 22.171 1.00 21.46 C +ATOM 2929 CG1 ILE A 450 9.951 28.919 21.166 1.00 22.18 C +ATOM 2930 CG2 ILE A 450 12.251 29.609 22.045 1.00 22.83 C +ATOM 2931 CD1 ILE A 450 10.372 28.974 19.706 1.00 21.71 C +ATOM 2932 N LEU A 451 12.304 26.552 24.279 1.00 22.82 N +ATOM 2933 CA LEU A 451 13.237 26.132 25.338 1.00 23.56 C +ATOM 2934 C LEU A 451 14.081 24.930 24.900 1.00 23.94 C +ATOM 2935 O LEU A 451 15.275 24.880 25.190 1.00 23.58 O +ATOM 2936 CB LEU A 451 12.474 25.792 26.635 1.00 24.64 C +ATOM 2937 CG LEU A 451 13.267 25.974 27.934 1.00 27.07 C +ATOM 2938 CD1 LEU A 451 12.305 26.134 29.132 1.00 30.19 C +ATOM 2939 CD2 LEU A 451 14.218 24.853 28.160 1.00 30.65 C +ATOM 2940 N LEU A 452 13.489 23.996 24.164 1.00 23.44 N +ATOM 2941 CA LEU A 452 14.254 22.864 23.641 1.00 24.58 C +ATOM 2942 C LEU A 452 15.363 23.301 22.692 1.00 24.15 C +ATOM 2943 O LEU A 452 16.429 22.687 22.695 1.00 22.88 O +ATOM 2944 CB LEU A 452 13.381 21.847 22.931 1.00 25.71 C +ATOM 2945 CG LEU A 452 12.494 20.966 23.784 1.00 27.66 C +ATOM 2946 CD1 LEU A 452 11.584 20.167 22.846 1.00 29.10 C +ATOM 2947 CD2 LEU A 452 13.309 20.037 24.639 1.00 28.09 C +ATOM 2948 N THR A 453 15.140 24.358 21.901 1.00 23.70 N +ATOM 2949 CA THR A 453 16.240 24.933 21.105 1.00 23.10 C +ATOM 2950 C THR A 453 17.358 25.545 21.952 1.00 23.35 C +ATOM 2951 O THR A 453 18.519 25.405 21.611 1.00 25.02 O +ATOM 2952 CB THR A 453 15.784 25.964 20.034 1.00 23.26 C +ATOM 2953 OG1 THR A 453 15.490 27.244 20.645 1.00 26.69 O +ATOM 2954 CG2 THR A 453 14.534 25.507 19.324 1.00 23.56 C +ATOM 2955 N GLU A 454 17.018 26.239 23.029 1.00 22.97 N +ATOM 2956 CA GLU A 454 18.020 26.728 23.964 1.00 22.98 C +ATOM 2957 C GLU A 454 18.858 25.601 24.566 1.00 22.29 C +ATOM 2958 O GLU A 454 20.065 25.756 24.698 1.00 23.10 O +ATOM 2959 CB GLU A 454 17.381 27.518 25.106 1.00 22.99 C +ATOM 2960 CG GLU A 454 16.602 28.748 24.662 1.00 24.61 C +ATOM 2961 CD GLU A 454 16.045 29.518 25.853 1.00 25.97 C +ATOM 2962 OE1 GLU A 454 14.944 29.151 26.346 1.00 23.73 O +ATOM 2963 OE2 GLU A 454 16.726 30.462 26.315 1.00 25.28 O +ATOM 2964 N LEU A 455 18.235 24.481 24.927 1.00 21.61 N +ATOM 2965 CA LEU A 455 18.976 23.321 25.439 1.00 21.67 C +ATOM 2966 C LEU A 455 19.960 22.770 24.407 1.00 24.31 C +ATOM 2967 O LEU A 455 21.162 22.624 24.693 1.00 23.88 O +ATOM 2968 CB LEU A 455 18.031 22.212 25.950 1.00 21.51 C +ATOM 2969 CG LEU A 455 17.447 22.472 27.341 1.00 23.43 C +ATOM 2970 CD1 LEU A 455 16.229 21.643 27.626 1.00 25.36 C +ATOM 2971 CD2 LEU A 455 18.502 22.213 28.422 1.00 24.93 C +ATOM 2972 N THR A 456 19.472 22.521 23.199 1.00 24.41 N +ATOM 2973 CA THR A 456 20.300 21.898 22.170 1.00 24.85 C +ATOM 2974 C THR A 456 21.340 22.829 21.551 1.00 25.67 C +ATOM 2975 O THR A 456 22.308 22.340 21.004 1.00 25.97 O +ATOM 2976 CB THR A 456 19.446 21.210 21.078 1.00 25.96 C +ATOM 2977 OG1 THR A 456 18.534 22.138 20.496 1.00 25.39 O +ATOM 2978 CG2 THR A 456 18.543 20.138 21.686 1.00 26.86 C +ATOM 2979 N THR A 457 21.182 24.149 21.657 1.00 24.22 N +ATOM 2980 CA THR A 457 22.233 25.069 21.221 1.00 24.47 C +ATOM 2981 C THR A 457 23.078 25.581 22.377 1.00 24.96 C +ATOM 2982 O THR A 457 23.925 26.443 22.180 1.00 25.91 O +ATOM 2983 CB THR A 457 21.673 26.286 20.477 1.00 25.77 C +ATOM 2984 OG1 THR A 457 20.857 27.073 21.357 1.00 21.85 O +ATOM 2985 CG2 THR A 457 20.755 25.887 19.336 1.00 27.34 C +ATOM 2986 N LYS A 458 22.827 25.078 23.580 1.00 23.28 N +ATOM 2987 CA LYS A 458 23.533 25.508 24.778 1.00 23.43 C +ATOM 2988 C LYS A 458 23.435 27.011 25.025 1.00 24.05 C +ATOM 2989 O LYS A 458 24.397 27.660 25.414 1.00 21.85 O +ATOM 2990 CB LYS A 458 24.978 24.989 24.792 1.00 24.10 C +ATOM 2991 CG LYS A 458 25.012 23.442 24.821 1.00 25.42 C +ATOM 2992 CD LYS A 458 26.418 22.908 24.726 1.00 25.49 C +ATOM 2993 CE LYS A 458 26.410 21.390 24.549 1.00 24.63 C +ATOM 2994 NZ LYS A 458 27.806 20.847 24.523 1.00 22.10 N +ATOM 2995 N GLY A 459 22.231 27.545 24.844 1.00 23.99 N +ATOM 2996 CA GLY A 459 21.925 28.884 25.311 1.00 24.33 C +ATOM 2997 C GLY A 459 21.925 29.948 24.239 1.00 25.50 C +ATOM 2998 O GLY A 459 21.863 31.129 24.572 1.00 26.91 O +ATOM 2999 N ARG A 460 21.973 29.565 22.969 1.00 24.49 N +ATOM 3000 CA ARG A 460 21.840 30.556 21.894 1.00 26.54 C +ATOM 3001 C ARG A 460 20.444 31.194 21.875 1.00 26.63 C +ATOM 3002 O ARG A 460 19.452 30.553 22.226 1.00 25.56 O +ATOM 3003 CB ARG A 460 22.096 29.919 20.539 1.00 27.62 C +ATOM 3004 CG ARG A 460 22.326 30.913 19.422 1.00 33.19 C +ATOM 3005 CD ARG A 460 22.856 30.243 18.152 1.00 40.32 C +ATOM 3006 NE ARG A 460 23.324 31.211 17.163 1.00 45.05 N +ATOM 3007 CZ ARG A 460 23.676 30.907 15.920 1.00 48.74 C +ATOM 3008 NH1 ARG A 460 23.614 29.649 15.488 1.00 50.07 N +ATOM 3009 NH2 ARG A 460 24.085 31.869 15.097 1.00 50.47 N +ATOM 3010 N VAL A 461 20.381 32.448 21.433 1.00 25.87 N +ATOM 3011 CA VAL A 461 19.118 33.159 21.335 1.00 26.95 C +ATOM 3012 C VAL A 461 18.333 32.517 20.194 1.00 26.23 C +ATOM 3013 O VAL A 461 18.907 32.208 19.153 1.00 26.00 O +ATOM 3014 CB VAL A 461 19.326 34.663 21.082 1.00 27.18 C +ATOM 3015 CG1 VAL A 461 17.976 35.411 21.045 1.00 28.32 C +ATOM 3016 CG2 VAL A 461 20.196 35.269 22.180 1.00 30.94 C +ATOM 3017 N PRO A 462 17.036 32.277 20.392 1.00 25.70 N +ATOM 3018 CA PRO A 462 16.181 31.768 19.316 1.00 25.63 C +ATOM 3019 C PRO A 462 16.176 32.713 18.116 1.00 25.59 C +ATOM 3020 O PRO A 462 16.435 33.913 18.278 1.00 24.81 O +ATOM 3021 CB PRO A 462 14.793 31.716 19.963 1.00 25.92 C +ATOM 3022 CG PRO A 462 15.080 31.593 21.415 1.00 27.20 C +ATOM 3023 CD PRO A 462 16.295 32.422 21.656 1.00 26.70 C +ATOM 3024 N TYR A 463 15.891 32.165 16.939 1.00 25.62 N +ATOM 3025 CA TYR A 463 15.819 32.943 15.701 1.00 27.09 C +ATOM 3026 C TYR A 463 17.049 33.837 15.539 1.00 28.42 C +ATOM 3027 O TYR A 463 16.918 35.046 15.485 1.00 28.79 O +ATOM 3028 CB TYR A 463 14.544 33.779 15.700 1.00 27.21 C +ATOM 3029 CG TYR A 463 13.275 32.969 15.906 1.00 26.34 C +ATOM 3030 CD1 TYR A 463 12.713 32.243 14.866 1.00 25.10 C +ATOM 3031 CD2 TYR A 463 12.658 32.909 17.160 1.00 24.13 C +ATOM 3032 CE1 TYR A 463 11.545 31.511 15.048 1.00 25.75 C +ATOM 3033 CE2 TYR A 463 11.523 32.181 17.355 1.00 22.48 C +ATOM 3034 CZ TYR A 463 10.961 31.484 16.310 1.00 25.53 C +ATOM 3035 OH TYR A 463 9.823 30.765 16.533 1.00 25.07 O +ATOM 3036 N PRO A 464 18.250 33.257 15.501 1.00 31.67 N +ATOM 3037 CA PRO A 464 19.467 34.075 15.371 1.00 34.21 C +ATOM 3038 C PRO A 464 19.459 34.840 14.042 1.00 35.02 C +ATOM 3039 O PRO A 464 18.950 34.348 13.038 1.00 37.05 O +ATOM 3040 CB PRO A 464 20.620 33.058 15.454 1.00 34.85 C +ATOM 3041 CG PRO A 464 20.004 31.695 15.255 1.00 34.24 C +ATOM 3042 CD PRO A 464 18.538 31.814 15.562 1.00 32.24 C +ATOM 3043 N GLY A 465 19.965 36.064 14.054 1.00 37.40 N +ATOM 3044 CA GLY A 465 19.913 36.913 12.869 1.00 38.06 C +ATOM 3045 C GLY A 465 18.584 37.632 12.654 1.00 38.59 C +ATOM 3046 O GLY A 465 18.497 38.517 11.802 1.00 39.45 O +ATOM 3047 N MET A 466 17.547 37.265 13.412 1.00 38.33 N +ATOM 3048 CA MET A 466 16.228 37.899 13.303 1.00 38.57 C +ATOM 3049 C MET A 466 16.003 38.881 14.453 1.00 38.12 C +ATOM 3050 O MET A 466 16.171 38.526 15.628 1.00 37.32 O +ATOM 3051 CB MET A 466 15.141 36.831 13.332 1.00 38.97 C +ATOM 3052 CG MET A 466 13.897 37.178 12.562 1.00 40.99 C +ATOM 3053 SD MET A 466 12.679 35.848 12.689 1.00 43.20 S +ATOM 3054 CE MET A 466 13.324 34.667 11.499 1.00 42.74 C +ATOM 3055 N VAL A 467 15.626 40.113 14.127 1.00 36.89 N +ATOM 3056 CA VAL A 467 15.345 41.103 15.168 1.00 37.18 C +ATOM 3057 C VAL A 467 13.946 40.859 15.737 1.00 35.86 C +ATOM 3058 O VAL A 467 13.090 40.302 15.054 1.00 33.75 O +ATOM 3059 CB VAL A 467 15.515 42.562 14.672 1.00 37.49 C +ATOM 3060 CG1 VAL A 467 16.974 42.815 14.304 1.00 39.35 C +ATOM 3061 CG2 VAL A 467 14.576 42.884 13.503 1.00 38.81 C +ATOM 3062 N ASN A 468 13.735 41.257 16.992 1.00 35.94 N +ATOM 3063 CA ASN A 468 12.475 40.993 17.704 1.00 35.70 C +ATOM 3064 C ASN A 468 11.246 41.478 16.937 1.00 36.11 C +ATOM 3065 O ASN A 468 10.237 40.769 16.862 1.00 35.40 O +ATOM 3066 CB ASN A 468 12.506 41.616 19.110 1.00 35.93 C +ATOM 3067 CG ASN A 468 13.383 40.833 20.083 1.00 37.21 C +ATOM 3068 OD1 ASN A 468 13.639 39.644 19.886 1.00 40.92 O +ATOM 3069 ND2 ASN A 468 13.854 41.499 21.129 1.00 35.90 N +ATOM 3070 N ARG A 469 11.356 42.672 16.346 1.00 36.82 N +ATOM 3071 CA ARG A 469 10.257 43.320 15.607 1.00 36.17 C +ATOM 3072 C ARG A 469 9.755 42.559 14.367 1.00 36.31 C +ATOM 3073 O ARG A 469 8.635 42.807 13.909 1.00 35.99 O +ATOM 3074 CB ARG A 469 10.676 44.734 15.178 1.00 36.92 C +ATOM 3075 N GLU A 470 10.577 41.659 13.822 1.00 35.26 N +ATOM 3076 CA GLU A 470 10.210 40.865 12.642 1.00 35.02 C +ATOM 3077 C GLU A 470 9.722 39.442 12.950 1.00 34.39 C +ATOM 3078 O GLU A 470 9.196 38.770 12.067 1.00 32.99 O +ATOM 3079 CB GLU A 470 11.401 40.774 11.678 1.00 35.76 C +ATOM 3080 N VAL A 471 9.895 38.982 14.193 1.00 33.67 N +ATOM 3081 CA VAL A 471 9.615 37.587 14.545 1.00 32.62 C +ATOM 3082 C VAL A 471 8.151 37.167 14.344 1.00 33.15 C +ATOM 3083 O VAL A 471 7.859 36.141 13.737 1.00 30.73 O +ATOM 3084 CB VAL A 471 10.045 37.298 16.014 1.00 33.06 C +ATOM 3085 CG1 VAL A 471 9.523 35.935 16.494 1.00 32.58 C +ATOM 3086 CG2 VAL A 471 11.552 37.398 16.146 1.00 31.13 C +ATOM 3087 N LEU A 472 7.227 37.962 14.857 1.00 35.63 N +ATOM 3088 CA LEU A 472 5.807 37.596 14.811 1.00 37.28 C +ATOM 3089 C LEU A 472 5.329 37.380 13.361 1.00 37.67 C +ATOM 3090 O LEU A 472 4.686 36.368 13.044 1.00 36.61 O +ATOM 3091 CB LEU A 472 4.966 38.653 15.541 1.00 38.14 C +ATOM 3092 CG LEU A 472 3.651 38.212 16.205 1.00 41.18 C +ATOM 3093 CD1 LEU A 472 3.770 36.845 16.912 1.00 41.88 C +ATOM 3094 CD2 LEU A 472 3.198 39.293 17.186 1.00 41.08 C +ATOM 3095 N ASP A 473 5.687 38.298 12.470 1.00 37.90 N +ATOM 3096 CA ASP A 473 5.257 38.197 11.079 1.00 38.52 C +ATOM 3097 C ASP A 473 5.818 36.938 10.414 1.00 38.65 C +ATOM 3098 O ASP A 473 5.107 36.266 9.665 1.00 38.66 O +ATOM 3099 CB ASP A 473 5.663 39.449 10.288 1.00 39.30 C +ATOM 3100 N GLN A 474 7.087 36.620 10.688 1.00 38.38 N +ATOM 3101 CA GLN A 474 7.734 35.442 10.111 1.00 38.43 C +ATOM 3102 C GLN A 474 7.075 34.151 10.586 1.00 37.97 C +ATOM 3103 O GLN A 474 6.766 33.275 9.783 1.00 37.41 O +ATOM 3104 CB GLN A 474 9.231 35.404 10.469 1.00 39.42 C +ATOM 3105 CG GLN A 474 10.116 36.390 9.707 1.00 41.51 C +ATOM 3106 CD GLN A 474 10.315 36.020 8.241 1.00 44.72 C +ATOM 3107 OE1 GLN A 474 10.494 34.848 7.898 1.00 46.42 O +ATOM 3108 NE2 GLN A 474 10.289 37.027 7.374 1.00 47.70 N +ATOM 3109 N VAL A 475 6.882 34.029 11.898 1.00 38.65 N +ATOM 3110 CA VAL A 475 6.265 32.844 12.483 1.00 39.51 C +ATOM 3111 C VAL A 475 4.825 32.669 11.997 1.00 40.71 C +ATOM 3112 O VAL A 475 4.389 31.560 11.719 1.00 40.11 O +ATOM 3113 CB VAL A 475 6.290 32.905 14.020 1.00 39.73 C +ATOM 3114 CG1 VAL A 475 5.385 31.838 14.614 1.00 40.94 C +ATOM 3115 CG2 VAL A 475 7.712 32.751 14.526 1.00 39.76 C +ATOM 3116 N GLU A 476 4.094 33.772 11.889 1.00 42.64 N +ATOM 3117 CA GLU A 476 2.709 33.727 11.397 1.00 44.21 C +ATOM 3118 C GLU A 476 2.625 33.193 9.970 1.00 44.61 C +ATOM 3119 O GLU A 476 1.697 32.464 9.632 1.00 46.57 O +ATOM 3120 CB GLU A 476 2.061 35.110 11.495 1.00 44.64 C +ATOM 3121 CG GLU A 476 1.577 35.440 12.898 1.00 44.40 C +ATOM 3122 N ARG A 477 3.621 33.528 9.154 1.00 44.68 N +ATOM 3123 CA ARG A 477 3.680 33.106 7.760 1.00 44.85 C +ATOM 3124 C ARG A 477 4.251 31.696 7.571 1.00 43.32 C +ATOM 3125 O ARG A 477 4.326 31.205 6.445 1.00 43.02 O +ATOM 3126 CB ARG A 477 4.502 34.117 6.944 1.00 46.13 C +ATOM 3127 CG ARG A 477 3.786 35.460 6.711 1.00 49.40 C +ATOM 3128 CD ARG A 477 4.505 36.419 5.750 1.00 53.91 C +ATOM 3129 NE ARG A 477 5.966 36.336 5.840 1.00 57.83 N +ATOM 3130 CZ ARG A 477 6.767 35.674 4.995 1.00 61.85 C +ATOM 3131 NH1 ARG A 477 6.286 35.003 3.945 1.00 62.95 N +ATOM 3132 NH2 ARG A 477 8.080 35.685 5.205 1.00 64.22 N +ATOM 3133 N GLY A 478 4.674 31.057 8.663 1.00 40.80 N +ATOM 3134 CA GLY A 478 5.062 29.656 8.642 1.00 38.24 C +ATOM 3135 C GLY A 478 6.520 29.362 8.968 1.00 36.25 C +ATOM 3136 O GLY A 478 6.904 28.201 8.974 1.00 35.22 O +ATOM 3137 N TYR A 479 7.330 30.387 9.233 1.00 33.84 N +ATOM 3138 CA TYR A 479 8.751 30.172 9.519 1.00 33.37 C +ATOM 3139 C TYR A 479 8.949 29.436 10.844 1.00 31.56 C +ATOM 3140 O TYR A 479 8.371 29.823 11.860 1.00 29.76 O +ATOM 3141 CB TYR A 479 9.542 31.486 9.577 1.00 33.54 C +ATOM 3142 CG TYR A 479 11.016 31.202 9.785 1.00 33.91 C +ATOM 3143 CD1 TYR A 479 11.849 30.893 8.707 1.00 35.51 C +ATOM 3144 CD2 TYR A 479 11.559 31.156 11.068 1.00 33.41 C +ATOM 3145 CE1 TYR A 479 13.203 30.592 8.899 1.00 35.80 C +ATOM 3146 CE2 TYR A 479 12.896 30.850 11.268 1.00 35.50 C +ATOM 3147 CZ TYR A 479 13.712 30.565 10.185 1.00 35.62 C +ATOM 3148 OH TYR A 479 15.031 30.265 10.406 1.00 39.83 O +ATOM 3149 N ARG A 480 9.765 28.385 10.816 1.00 30.32 N +ATOM 3150 CA ARG A 480 10.178 27.665 12.022 1.00 29.85 C +ATOM 3151 C ARG A 480 11.699 27.541 12.045 1.00 29.66 C +ATOM 3152 O ARG A 480 12.331 27.496 10.999 1.00 27.38 O +ATOM 3153 CB ARG A 480 9.511 26.286 12.057 1.00 30.10 C +ATOM 3154 CG ARG A 480 7.989 26.338 12.100 1.00 29.62 C +ATOM 3155 CD ARG A 480 7.423 26.966 13.382 1.00 29.15 C +ATOM 3156 NE ARG A 480 5.959 26.921 13.464 1.00 26.65 N +ATOM 3157 CZ ARG A 480 5.137 27.857 12.983 1.00 29.34 C +ATOM 3158 NH1 ARG A 480 5.621 28.923 12.367 1.00 28.54 N +ATOM 3159 NH2 ARG A 480 3.815 27.735 13.132 1.00 28.20 N +ATOM 3160 N MET A 481 12.290 27.530 13.236 1.00 28.59 N +ATOM 3161 CA MET A 481 13.735 27.321 13.365 1.00 29.50 C +ATOM 3162 C MET A 481 14.099 25.950 12.807 1.00 30.02 C +ATOM 3163 O MET A 481 13.340 24.997 12.985 1.00 28.39 O +ATOM 3164 CB MET A 481 14.178 27.404 14.832 1.00 28.40 C +ATOM 3165 CG MET A 481 14.367 28.817 15.325 1.00 28.54 C +ATOM 3166 SD MET A 481 15.008 28.887 16.994 1.00 29.14 S +ATOM 3167 CE MET A 481 13.519 28.811 17.925 1.00 28.38 C +ATOM 3168 N PRO A 482 15.240 25.854 12.117 1.00 31.96 N +ATOM 3169 CA PRO A 482 15.717 24.559 11.611 1.00 32.34 C +ATOM 3170 C PRO A 482 16.328 23.675 12.705 1.00 33.07 C +ATOM 3171 O PRO A 482 16.500 24.089 13.861 1.00 31.51 O +ATOM 3172 CB PRO A 482 16.767 24.950 10.553 1.00 33.02 C +ATOM 3173 CG PRO A 482 17.271 26.300 10.987 1.00 33.52 C +ATOM 3174 CD PRO A 482 16.143 26.963 11.750 1.00 32.49 C +ATOM 3175 N CYS A 483 16.642 22.440 12.326 1.00 33.04 N +ATOM 3176 CA CYS A 483 17.238 21.466 13.228 1.00 32.86 C +ATOM 3177 C CYS A 483 18.669 21.911 13.601 1.00 33.54 C +ATOM 3178 O CYS A 483 19.524 22.040 12.721 1.00 32.89 O +ATOM 3179 CB CYS A 483 17.260 20.090 12.545 1.00 32.82 C +ATOM 3180 SG CYS A 483 17.867 18.732 13.583 1.00 32.17 S +ATOM 3181 N PRO A 484 18.946 22.141 14.888 1.00 33.10 N +ATOM 3182 CA PRO A 484 20.310 22.512 15.319 1.00 33.95 C +ATOM 3183 C PRO A 484 21.370 21.471 14.912 1.00 34.20 C +ATOM 3184 O PRO A 484 21.023 20.295 14.813 1.00 34.99 O +ATOM 3185 CB PRO A 484 20.192 22.582 16.854 1.00 33.45 C +ATOM 3186 CG PRO A 484 18.731 22.814 17.114 1.00 34.52 C +ATOM 3187 CD PRO A 484 18.005 22.077 16.022 1.00 33.59 C +ATOM 3188 N PRO A 485 22.624 21.873 14.678 1.00 35.05 N +ATOM 3189 CA PRO A 485 23.696 20.912 14.379 1.00 34.05 C +ATOM 3190 C PRO A 485 23.842 19.825 15.450 1.00 32.77 C +ATOM 3191 O PRO A 485 23.776 20.143 16.639 1.00 30.01 O +ATOM 3192 CB PRO A 485 24.954 21.787 14.339 1.00 35.61 C +ATOM 3193 CG PRO A 485 24.466 23.144 14.036 1.00 35.28 C +ATOM 3194 CD PRO A 485 23.109 23.266 14.662 1.00 36.13 C +ATOM 3195 N GLU A 486 23.999 18.578 15.008 1.00 30.28 N +ATOM 3196 CA GLU A 486 24.152 17.390 15.851 1.00 31.16 C +ATOM 3197 C GLU A 486 22.876 16.984 16.593 1.00 30.33 C +ATOM 3198 O GLU A 486 22.879 16.016 17.331 1.00 30.26 O +ATOM 3199 CB GLU A 486 25.345 17.518 16.824 1.00 32.02 C +ATOM 3200 CG GLU A 486 26.693 17.715 16.130 1.00 33.61 C +ATOM 3201 CD GLU A 486 27.887 17.727 17.091 1.00 35.19 C +ATOM 3202 OE1 GLU A 486 27.844 17.030 18.147 1.00 31.07 O +ATOM 3203 OE2 GLU A 486 28.883 18.429 16.777 1.00 33.75 O +ATOM 3204 N CYS A 487 21.780 17.707 16.381 1.00 30.45 N +ATOM 3205 CA CYS A 487 20.506 17.375 17.002 1.00 29.85 C +ATOM 3206 C CYS A 487 19.800 16.338 16.124 1.00 29.56 C +ATOM 3207 O CYS A 487 19.665 16.560 14.911 1.00 29.03 O +ATOM 3208 CB CYS A 487 19.638 18.626 17.130 1.00 30.47 C +ATOM 3209 SG CYS A 487 18.068 18.359 17.990 1.00 31.55 S +ATOM 3210 N PRO A 488 19.382 15.202 16.687 1.00 27.49 N +ATOM 3211 CA PRO A 488 18.618 14.228 15.895 1.00 27.36 C +ATOM 3212 C PRO A 488 17.324 14.817 15.337 1.00 27.03 C +ATOM 3213 O PRO A 488 16.638 15.593 16.009 1.00 25.53 O +ATOM 3214 CB PRO A 488 18.327 13.111 16.891 1.00 26.32 C +ATOM 3215 CG PRO A 488 19.444 13.227 17.905 1.00 29.85 C +ATOM 3216 CD PRO A 488 19.631 14.705 18.052 1.00 27.55 C +ATOM 3217 N GLU A 489 17.000 14.430 14.108 1.00 26.45 N +ATOM 3218 CA GLU A 489 15.774 14.862 13.447 1.00 27.37 C +ATOM 3219 C GLU A 489 14.528 14.574 14.277 1.00 26.31 C +ATOM 3220 O GLU A 489 13.589 15.359 14.249 1.00 26.47 O +ATOM 3221 CB GLU A 489 15.652 14.197 12.067 1.00 28.63 C +ATOM 3222 CG GLU A 489 16.642 14.747 11.060 1.00 31.59 C +ATOM 3223 N SER A 490 14.522 13.466 15.015 1.00 24.98 N +ATOM 3224 CA SER A 490 13.398 13.108 15.880 1.00 25.26 C +ATOM 3225 C SER A 490 13.123 14.125 17.000 1.00 26.29 C +ATOM 3226 O SER A 490 11.970 14.315 17.422 1.00 25.71 O +ATOM 3227 CB SER A 490 13.610 11.720 16.487 1.00 26.40 C +ATOM 3228 OG SER A 490 14.772 11.667 17.304 1.00 25.40 O +ATOM 3229 N LEU A 491 14.178 14.767 17.493 1.00 25.53 N +ATOM 3230 CA LEU A 491 14.019 15.793 18.521 1.00 26.61 C +ATOM 3231 C LEU A 491 13.569 17.112 17.900 1.00 26.13 C +ATOM 3232 O LEU A 491 12.753 17.821 18.474 1.00 26.92 O +ATOM 3233 CB LEU A 491 15.319 15.964 19.306 1.00 25.88 C +ATOM 3234 CG LEU A 491 15.240 16.830 20.554 1.00 27.86 C +ATOM 3235 CD1 LEU A 491 14.138 16.330 21.490 1.00 29.05 C +ATOM 3236 CD2 LEU A 491 16.587 16.836 21.273 1.00 28.87 C +ATOM 3237 N HIS A 492 14.075 17.442 16.718 1.00 27.18 N +ATOM 3238 CA HIS A 492 13.547 18.586 15.992 1.00 28.20 C +ATOM 3239 C HIS A 492 12.070 18.387 15.590 1.00 29.46 C +ATOM 3240 O HIS A 492 11.285 19.353 15.613 1.00 28.64 O +ATOM 3241 CB HIS A 492 14.399 18.910 14.775 1.00 29.58 C +ATOM 3242 CG HIS A 492 13.960 20.147 14.049 1.00 31.17 C +ATOM 3243 ND1 HIS A 492 13.479 20.116 12.759 1.00 33.02 N +ATOM 3244 CD2 HIS A 492 13.910 21.445 14.438 1.00 33.00 C +ATOM 3245 CE1 HIS A 492 13.168 21.342 12.375 1.00 35.16 C +ATOM 3246 NE2 HIS A 492 13.409 22.167 13.379 1.00 32.44 N +ATOM 3247 N ASP A 493 11.682 17.152 15.253 1.00 29.33 N +ATOM 3248 CA ASP A 493 10.266 16.842 14.955 1.00 29.90 C +ATOM 3249 C ASP A 493 9.371 17.131 16.166 1.00 28.67 C +ATOM 3250 O ASP A 493 8.242 17.598 16.020 1.00 29.05 O +ATOM 3251 CB ASP A 493 10.087 15.368 14.561 1.00 31.08 C +ATOM 3252 CG ASP A 493 10.619 15.046 13.172 1.00 36.77 C +ATOM 3253 OD1 ASP A 493 10.915 15.986 12.392 1.00 42.73 O +ATOM 3254 OD2 ASP A 493 10.773 13.862 12.767 1.00 41.71 O +ATOM 3255 N LEU A 494 9.878 16.851 17.365 1.00 27.34 N +ATOM 3256 CA LEU A 494 9.176 17.188 18.598 1.00 26.75 C +ATOM 3257 C LEU A 494 9.023 18.703 18.778 1.00 25.97 C +ATOM 3258 O LEU A 494 7.947 19.188 19.135 1.00 26.58 O +ATOM 3259 CB LEU A 494 9.888 16.580 19.814 1.00 25.97 C +ATOM 3260 CG LEU A 494 9.074 16.586 21.109 1.00 26.25 C +ATOM 3261 CD1 LEU A 494 7.995 15.517 21.091 1.00 28.42 C +ATOM 3262 CD2 LEU A 494 9.980 16.407 22.329 1.00 27.07 C +ATOM 3263 N MET A 495 10.091 19.451 18.535 1.00 24.49 N +ATOM 3264 CA MET A 495 10.015 20.903 18.583 1.00 25.92 C +ATOM 3265 C MET A 495 8.927 21.413 17.630 1.00 26.25 C +ATOM 3266 O MET A 495 8.157 22.302 17.979 1.00 23.71 O +ATOM 3267 CB MET A 495 11.343 21.539 18.185 1.00 25.84 C +ATOM 3268 CG MET A 495 12.497 21.236 19.118 1.00 26.43 C +ATOM 3269 SD MET A 495 14.050 21.798 18.394 1.00 31.62 S +ATOM 3270 CE MET A 495 15.193 20.901 19.372 1.00 33.15 C +ATOM 3271 N CYS A 496 8.890 20.853 16.421 1.00 26.31 N +ATOM 3272 CA CYS A 496 7.954 21.308 15.388 1.00 27.27 C +ATOM 3273 C CYS A 496 6.502 21.017 15.743 1.00 26.61 C +ATOM 3274 O CYS A 496 5.619 21.787 15.383 1.00 28.83 O +ATOM 3275 CB CYS A 496 8.308 20.713 14.016 1.00 27.64 C +ATOM 3276 SG CYS A 496 9.783 21.474 13.296 1.00 33.38 S +ATOM 3277 N GLN A 497 6.254 19.925 16.456 1.00 26.99 N +ATOM 3278 CA GLN A 497 4.924 19.636 16.989 1.00 27.35 C +ATOM 3279 C GLN A 497 4.496 20.700 18.018 1.00 26.52 C +ATOM 3280 O GLN A 497 3.321 21.112 18.074 1.00 24.40 O +ATOM 3281 CB GLN A 497 4.899 18.244 17.622 1.00 28.72 C +ATOM 3282 CG GLN A 497 5.048 17.095 16.609 1.00 32.00 C +ATOM 3283 CD GLN A 497 5.435 15.765 17.270 1.00 39.96 C +ATOM 3284 OE1 GLN A 497 4.850 15.370 18.282 1.00 44.52 O +ATOM 3285 NE2 GLN A 497 6.407 15.074 16.690 1.00 44.16 N +ATOM 3286 N CYS A 498 5.455 21.147 18.825 1.00 23.54 N +ATOM 3287 CA CYS A 498 5.196 22.185 19.817 1.00 24.20 C +ATOM 3288 C CYS A 498 4.836 23.511 19.134 1.00 24.17 C +ATOM 3289 O CYS A 498 4.156 24.339 19.719 1.00 24.59 O +ATOM 3290 CB CYS A 498 6.417 22.383 20.720 1.00 24.25 C +ATOM 3291 SG CYS A 498 6.771 20.996 21.835 1.00 26.27 S +ATOM 3292 N TRP A 499 5.310 23.710 17.900 1.00 22.77 N +ATOM 3293 CA TRP A 499 5.081 24.957 17.172 1.00 23.09 C +ATOM 3294 C TRP A 499 3.982 24.863 16.103 1.00 24.42 C +ATOM 3295 O TRP A 499 3.989 25.623 15.136 1.00 24.31 O +ATOM 3296 CB TRP A 499 6.367 25.412 16.499 1.00 21.90 C +ATOM 3297 CG TRP A 499 7.528 25.549 17.453 1.00 22.02 C +ATOM 3298 CD1 TRP A 499 7.489 25.967 18.760 1.00 22.36 C +ATOM 3299 CD2 TRP A 499 8.891 25.304 17.153 1.00 21.89 C +ATOM 3300 NE1 TRP A 499 8.755 25.969 19.294 1.00 22.28 N +ATOM 3301 CE2 TRP A 499 9.641 25.572 18.328 1.00 20.94 C +ATOM 3302 CE3 TRP A 499 9.568 24.860 16.017 1.00 21.53 C +ATOM 3303 CZ2 TRP A 499 11.026 25.416 18.380 1.00 22.05 C +ATOM 3304 CZ3 TRP A 499 10.920 24.712 16.064 1.00 23.39 C +ATOM 3305 CH2 TRP A 499 11.650 24.985 17.248 1.00 23.75 C +ATOM 3306 N ARG A 500 3.059 23.930 16.256 1.00 26.23 N +ATOM 3307 CA ARG A 500 1.942 23.832 15.302 1.00 28.77 C +ATOM 3308 C ARG A 500 1.075 25.073 15.388 1.00 28.99 C +ATOM 3309 O ARG A 500 0.842 25.602 16.477 1.00 27.20 O +ATOM 3310 CB ARG A 500 1.121 22.562 15.540 1.00 29.45 C +ATOM 3311 CG ARG A 500 1.804 21.343 14.927 1.00 33.79 C +ATOM 3312 CD ARG A 500 1.205 20.021 15.317 1.00 41.24 C +ATOM 3313 NE ARG A 500 1.852 18.904 14.624 1.00 47.14 N +ATOM 3314 CZ ARG A 500 1.485 17.628 14.747 1.00 53.26 C +ATOM 3315 NH1 ARG A 500 0.460 17.291 15.526 1.00 55.53 N +ATOM 3316 NH2 ARG A 500 2.135 16.679 14.081 1.00 54.56 N +ATOM 3317 N LYS A 501 0.611 25.541 14.229 1.00 29.09 N +ATOM 3318 CA LYS A 501 -0.167 26.771 14.136 1.00 30.84 C +ATOM 3319 C LYS A 501 -1.417 26.693 15.027 1.00 30.45 C +ATOM 3320 O LYS A 501 -1.727 27.632 15.773 1.00 29.54 O +ATOM 3321 CB LYS A 501 -0.547 27.028 12.665 1.00 32.08 C +ATOM 3322 CG LYS A 501 -1.249 28.354 12.419 1.00 36.17 C +ATOM 3323 CD LYS A 501 -1.434 28.634 10.917 1.00 39.53 C +ATOM 3324 CE LYS A 501 -2.371 29.832 10.678 1.00 41.99 C +ATOM 3325 NZ LYS A 501 -2.749 29.979 9.230 1.00 43.91 N +ATOM 3326 N GLU A 502 -2.108 25.559 14.969 1.00 31.00 N +ATOM 3327 CA GLU A 502 -3.318 25.330 15.763 1.00 32.84 C +ATOM 3328 C GLU A 502 -2.968 24.808 17.155 1.00 31.73 C +ATOM 3329 O GLU A 502 -2.392 23.719 17.264 1.00 31.27 O +ATOM 3330 CB GLU A 502 -4.213 24.303 15.070 1.00 34.28 C +ATOM 3331 CG GLU A 502 -4.927 24.829 13.838 1.00 39.59 C +ATOM 3332 CD GLU A 502 -5.836 26.004 14.154 1.00 45.27 C +ATOM 3333 OE1 GLU A 502 -6.557 25.957 15.180 1.00 50.71 O +ATOM 3334 OE2 GLU A 502 -5.811 26.985 13.386 1.00 51.36 O +ATOM 3335 N PRO A 503 -3.307 25.551 18.209 1.00 31.50 N +ATOM 3336 CA PRO A 503 -2.916 25.153 19.581 1.00 31.24 C +ATOM 3337 C PRO A 503 -3.359 23.748 19.989 1.00 31.58 C +ATOM 3338 O PRO A 503 -2.589 23.034 20.630 1.00 28.27 O +ATOM 3339 CB PRO A 503 -3.576 26.209 20.475 1.00 31.60 C +ATOM 3340 CG PRO A 503 -3.937 27.349 19.589 1.00 32.98 C +ATOM 3341 CD PRO A 503 -4.025 26.836 18.188 1.00 31.74 C +ATOM 3342 N GLU A 504 -4.574 23.350 19.608 1.00 31.00 N +ATOM 3343 CA GLU A 504 -5.098 22.015 19.923 1.00 32.10 C +ATOM 3344 C GLU A 504 -4.291 20.846 19.335 1.00 30.46 C +ATOM 3345 O GLU A 504 -4.346 19.742 19.851 1.00 30.78 O +ATOM 3346 CB GLU A 504 -6.566 21.891 19.465 1.00 33.04 C +ATOM 3347 CG GLU A 504 -6.758 21.875 17.949 1.00 38.12 C +ATOM 3348 CD GLU A 504 -7.041 23.250 17.334 1.00 43.58 C +ATOM 3349 OE1 GLU A 504 -6.774 24.303 17.990 1.00 40.26 O +ATOM 3350 OE2 GLU A 504 -7.535 23.265 16.169 1.00 47.05 O +ATOM 3351 N GLU A 505 -3.556 21.085 18.256 1.00 29.72 N +ATOM 3352 CA GLU A 505 -2.727 20.048 17.644 1.00 29.38 C +ATOM 3353 C GLU A 505 -1.342 19.921 18.294 1.00 28.21 C +ATOM 3354 O GLU A 505 -0.567 19.038 17.942 1.00 25.51 O +ATOM 3355 CB GLU A 505 -2.582 20.324 16.155 1.00 31.83 C +ATOM 3356 CG GLU A 505 -3.911 20.220 15.400 1.00 36.08 C +ATOM 3357 CD GLU A 505 -3.823 20.713 13.966 1.00 41.51 C +ATOM 3358 OE1 GLU A 505 -2.701 20.964 13.475 1.00 46.81 O +ATOM 3359 OE2 GLU A 505 -4.888 20.857 13.324 1.00 48.75 O +ATOM 3360 N ARG A 506 -1.032 20.790 19.249 1.00 25.91 N +ATOM 3361 CA ARG A 506 0.231 20.689 19.975 1.00 25.88 C +ATOM 3362 C ARG A 506 0.133 19.574 21.013 1.00 26.55 C +ATOM 3363 O ARG A 506 -0.944 19.289 21.547 1.00 26.07 O +ATOM 3364 CB ARG A 506 0.592 22.026 20.621 1.00 25.43 C +ATOM 3365 CG ARG A 506 0.838 23.169 19.633 1.00 24.51 C +ATOM 3366 CD ARG A 506 1.005 24.549 20.283 1.00 23.64 C +ATOM 3367 NE ARG A 506 0.771 25.616 19.311 1.00 21.36 N +ATOM 3368 CZ ARG A 506 0.381 26.858 19.603 1.00 25.00 C +ATOM 3369 NH1 ARG A 506 0.238 27.238 20.864 1.00 24.05 N +ATOM 3370 NH2 ARG A 506 0.108 27.724 18.620 1.00 23.91 N +ATOM 3371 N PRO A 507 1.248 18.920 21.312 1.00 27.61 N +ATOM 3372 CA PRO A 507 1.220 17.844 22.298 1.00 26.20 C +ATOM 3373 C PRO A 507 0.946 18.385 23.698 1.00 26.06 C +ATOM 3374 O PRO A 507 1.039 19.604 23.941 1.00 25.99 O +ATOM 3375 CB PRO A 507 2.612 17.214 22.192 1.00 27.07 C +ATOM 3376 CG PRO A 507 3.446 18.168 21.430 1.00 28.53 C +ATOM 3377 CD PRO A 507 2.591 19.145 20.747 1.00 27.58 C +ATOM 3378 N THR A 508 0.591 17.486 24.602 1.00 24.78 N +ATOM 3379 CA THR A 508 0.460 17.826 26.008 1.00 25.41 C +ATOM 3380 C THR A 508 1.829 17.679 26.658 1.00 24.92 C +ATOM 3381 O THR A 508 2.702 17.012 26.130 1.00 24.46 O +ATOM 3382 CB THR A 508 -0.516 16.894 26.696 1.00 26.37 C +ATOM 3383 OG1 THR A 508 0.001 15.558 26.666 1.00 25.66 O +ATOM 3384 CG2 THR A 508 -1.846 16.832 25.941 1.00 27.66 C +ATOM 3385 N PHE A 509 2.022 18.328 27.796 1.00 24.63 N +ATOM 3386 CA PHE A 509 3.226 18.123 28.571 1.00 24.03 C +ATOM 3387 C PHE A 509 3.280 16.693 29.121 1.00 24.17 C +ATOM 3388 O PHE A 509 4.352 16.181 29.324 1.00 23.95 O +ATOM 3389 CB PHE A 509 3.297 19.133 29.711 1.00 23.30 C +ATOM 3390 CG PHE A 509 3.717 20.500 29.280 1.00 20.73 C +ATOM 3391 CD1 PHE A 509 5.016 20.739 28.885 1.00 21.50 C +ATOM 3392 CD2 PHE A 509 2.834 21.552 29.321 1.00 22.62 C +ATOM 3393 CE1 PHE A 509 5.435 21.989 28.512 1.00 21.43 C +ATOM 3394 CE2 PHE A 509 3.243 22.836 28.945 1.00 23.43 C +ATOM 3395 CZ PHE A 509 4.554 23.047 28.533 1.00 23.94 C +ATOM 3396 N GLU A 510 2.138 16.044 29.354 1.00 24.55 N +ATOM 3397 CA GLU A 510 2.146 14.624 29.738 1.00 26.77 C +ATOM 3398 C GLU A 510 2.879 13.787 28.675 1.00 26.67 C +ATOM 3399 O GLU A 510 3.741 12.953 28.990 1.00 27.78 O +ATOM 3400 CB GLU A 510 0.712 14.097 29.919 1.00 28.14 C +ATOM 3401 CG GLU A 510 0.628 12.667 30.444 1.00 31.84 C +ATOM 3402 CD GLU A 510 -0.813 12.202 30.635 1.00 37.57 C +ATOM 3403 OE1 GLU A 510 -1.740 12.898 30.177 1.00 41.96 O +ATOM 3404 OE2 GLU A 510 -1.021 11.139 31.246 1.00 42.72 O +ATOM 3405 N TYR A 511 2.544 14.037 27.418 1.00 25.83 N +ATOM 3406 CA TYR A 511 3.179 13.348 26.298 1.00 25.69 C +ATOM 3407 C TYR A 511 4.658 13.721 26.204 1.00 25.23 C +ATOM 3408 O TYR A 511 5.500 12.857 26.034 1.00 24.48 O +ATOM 3409 CB TYR A 511 2.472 13.687 24.981 1.00 25.77 C +ATOM 3410 CG TYR A 511 3.159 13.098 23.782 1.00 25.88 C +ATOM 3411 CD1 TYR A 511 2.879 11.802 23.357 1.00 28.95 C +ATOM 3412 CD2 TYR A 511 4.109 13.828 23.083 1.00 28.09 C +ATOM 3413 CE1 TYR A 511 3.541 11.256 22.263 1.00 32.71 C +ATOM 3414 CE2 TYR A 511 4.772 13.297 21.998 1.00 29.22 C +ATOM 3415 CZ TYR A 511 4.486 12.014 21.589 1.00 31.81 C +ATOM 3416 OH TYR A 511 5.152 11.505 20.504 1.00 34.65 O +ATOM 3417 N LEU A 512 4.967 15.010 26.343 1.00 24.78 N +ATOM 3418 CA LEU A 512 6.330 15.485 26.203 1.00 24.80 C +ATOM 3419 C LEU A 512 7.241 14.847 27.261 1.00 25.12 C +ATOM 3420 O LEU A 512 8.358 14.451 26.953 1.00 25.00 O +ATOM 3421 CB LEU A 512 6.386 17.023 26.282 1.00 24.79 C +ATOM 3422 CG LEU A 512 5.811 17.795 25.098 1.00 25.31 C +ATOM 3423 CD1 LEU A 512 5.633 19.282 25.437 1.00 26.56 C +ATOM 3424 CD2 LEU A 512 6.661 17.650 23.849 1.00 26.51 C +ATOM 3425 N GLN A 513 6.761 14.739 28.500 1.00 25.90 N +ATOM 3426 CA GLN A 513 7.553 14.145 29.588 1.00 26.27 C +ATOM 3427 C GLN A 513 7.890 12.690 29.283 1.00 26.18 C +ATOM 3428 O GLN A 513 9.041 12.276 29.399 1.00 24.67 O +ATOM 3429 CB GLN A 513 6.801 14.259 30.931 1.00 26.10 C +ATOM 3430 CG GLN A 513 7.463 13.528 32.129 1.00 27.09 C +ATOM 3431 CD GLN A 513 6.585 13.518 33.374 1.00 28.52 C +ATOM 3432 OE1 GLN A 513 5.550 14.180 33.416 1.00 27.90 O +ATOM 3433 NE2 GLN A 513 6.993 12.760 34.383 1.00 30.69 N +ATOM 3434 N ALA A 514 6.884 11.918 28.888 1.00 26.26 N +ATOM 3435 CA ALA A 514 7.069 10.501 28.560 1.00 27.02 C +ATOM 3436 C ALA A 514 8.018 10.289 27.377 1.00 26.01 C +ATOM 3437 O ALA A 514 8.891 9.423 27.420 1.00 25.74 O +ATOM 3438 CB ALA A 514 5.717 9.842 28.255 1.00 26.80 C +ATOM 3439 N PHE A 515 7.813 11.062 26.316 1.00 25.57 N +ATOM 3440 CA PHE A 515 8.676 11.024 25.133 1.00 24.98 C +ATOM 3441 C PHE A 515 10.140 11.270 25.477 1.00 24.66 C +ATOM 3442 O PHE A 515 11.042 10.567 24.988 1.00 25.11 O +ATOM 3443 CB PHE A 515 8.215 12.063 24.104 1.00 24.58 C +ATOM 3444 CG PHE A 515 9.012 12.045 22.820 1.00 26.25 C +ATOM 3445 CD1 PHE A 515 8.630 11.231 21.760 1.00 27.31 C +ATOM 3446 CD2 PHE A 515 10.146 12.830 22.671 1.00 27.73 C +ATOM 3447 CE1 PHE A 515 9.362 11.210 20.578 1.00 28.57 C +ATOM 3448 CE2 PHE A 515 10.890 12.802 21.494 1.00 26.74 C +ATOM 3449 CZ PHE A 515 10.495 11.987 20.448 1.00 26.92 C +ATOM 3450 N LEU A 516 10.385 12.294 26.294 1.00 23.31 N +ATOM 3451 CA LEU A 516 11.751 12.702 26.628 1.00 22.96 C +ATOM 3452 C LEU A 516 12.385 11.718 27.613 1.00 23.31 C +ATOM 3453 O LEU A 516 13.546 11.366 27.462 1.00 22.69 O +ATOM 3454 CB LEU A 516 11.764 14.128 27.202 1.00 22.73 C +ATOM 3455 CG LEU A 516 11.438 15.231 26.191 1.00 22.06 C +ATOM 3456 CD1 LEU A 516 11.120 16.556 26.905 1.00 23.08 C +ATOM 3457 CD2 LEU A 516 12.586 15.408 25.202 1.00 24.30 C +ATOM 3458 N GLU A 517 11.610 11.257 28.594 1.00 23.60 N +ATOM 3459 CA GLU A 517 12.082 10.233 29.542 1.00 26.36 C +ATOM 3460 C GLU A 517 12.516 8.919 28.837 1.00 26.44 C +ATOM 3461 O GLU A 517 13.517 8.285 29.206 1.00 26.34 O +ATOM 3462 CB GLU A 517 10.966 9.911 30.543 1.00 27.17 C +ATOM 3463 CG GLU A 517 10.891 10.871 31.727 1.00 30.56 C +ATOM 3464 CD GLU A 517 9.650 10.668 32.600 1.00 35.43 C +ATOM 3465 OE1 GLU A 517 8.776 9.830 32.261 1.00 35.60 O +ATOM 3466 OE2 GLU A 517 9.529 11.372 33.623 1.00 34.64 O +ATOM 3467 N ASP A 518 11.763 8.535 27.815 1.00 26.71 N +ATOM 3468 CA ASP A 518 11.978 7.263 27.101 1.00 28.46 C +ATOM 3469 C ASP A 518 12.831 7.413 25.844 1.00 28.77 C +ATOM 3470 O ASP A 518 13.031 6.434 25.106 1.00 28.22 O +ATOM 3471 CB ASP A 518 10.631 6.655 26.699 1.00 28.89 C +ATOM 3472 CG ASP A 518 9.786 6.250 27.890 1.00 32.24 C +ATOM 3473 OD1 ASP A 518 10.281 6.287 29.035 1.00 37.76 O +ATOM 3474 OD2 ASP A 518 8.596 5.885 27.774 1.00 37.70 O +ATOM 3475 N TYR A 519 13.349 8.617 25.614 1.00 27.61 N +ATOM 3476 CA TYR A 519 13.966 8.988 24.338 1.00 27.00 C +ATOM 3477 C TYR A 519 15.039 8.042 23.828 1.00 27.26 C +ATOM 3478 O TYR A 519 15.036 7.721 22.637 1.00 26.98 O +ATOM 3479 CB TYR A 519 14.560 10.398 24.418 1.00 26.13 C +ATOM 3480 CG TYR A 519 15.005 10.956 23.083 1.00 24.30 C +ATOM 3481 CD1 TYR A 519 14.081 11.356 22.137 1.00 25.05 C +ATOM 3482 CD2 TYR A 519 16.350 11.107 22.781 1.00 24.48 C +ATOM 3483 CE1 TYR A 519 14.475 11.869 20.912 1.00 27.11 C +ATOM 3484 CE2 TYR A 519 16.757 11.629 21.548 1.00 24.96 C +ATOM 3485 CZ TYR A 519 15.821 12.003 20.626 1.00 27.14 C +ATOM 3486 OH TYR A 519 16.211 12.504 19.409 1.00 25.41 O +ATOM 3487 N PHE A 520 15.961 7.637 24.697 1.00 27.10 N +ATOM 3488 CA PHE A 520 17.146 6.869 24.273 1.00 28.78 C +ATOM 3489 C PHE A 520 16.921 5.355 24.230 1.00 29.78 C +ATOM 3490 O PHE A 520 17.811 4.607 23.832 1.00 31.04 O +ATOM 3491 CB PHE A 520 18.369 7.213 25.128 1.00 27.94 C +ATOM 3492 CG PHE A 520 18.841 8.619 24.931 1.00 26.55 C +ATOM 3493 CD1 PHE A 520 19.589 8.965 23.814 1.00 25.28 C +ATOM 3494 CD2 PHE A 520 18.466 9.613 25.816 1.00 25.84 C +ATOM 3495 CE1 PHE A 520 19.990 10.272 23.602 1.00 25.98 C +ATOM 3496 CE2 PHE A 520 18.860 10.937 25.610 1.00 25.14 C +ATOM 3497 CZ PHE A 520 19.620 11.273 24.511 1.00 24.61 C +ATOM 3498 N THR A 521 15.739 4.916 24.638 1.00 31.28 N +ATOM 3499 CA THR A 521 15.314 3.532 24.433 1.00 32.75 C +ATOM 3500 C THR A 521 14.262 3.418 23.325 1.00 32.63 C +ATOM 3501 O THR A 521 14.369 2.548 22.466 1.00 31.90 O +ATOM 3502 CB THR A 521 14.812 2.898 25.754 1.00 32.39 C +ATOM 3503 OG1 THR A 521 13.885 3.761 26.405 1.00 35.25 O +ATOM 3504 CG2 THR A 521 15.934 2.792 26.761 1.00 33.13 C +ATOM 3505 N SER A 522 13.259 4.296 23.324 1.00 31.92 N +ATOM 3506 CA SER A 522 12.161 4.215 22.340 1.00 32.27 C +ATOM 3507 C SER A 522 12.429 4.884 20.985 1.00 32.19 C +ATOM 3508 O SER A 522 11.829 4.503 19.988 1.00 32.33 O +ATOM 3509 CB SER A 522 10.886 4.842 22.904 1.00 31.95 C +ATOM 3510 OG SER A 522 10.390 4.105 24.001 1.00 33.55 O +ATOM 3511 N THR A 523 13.290 5.900 20.952 1.00 31.00 N +ATOM 3512 CA THR A 523 13.398 6.768 19.781 1.00 30.13 C +ATOM 3513 C THR A 523 14.782 6.778 19.151 1.00 30.15 C +ATOM 3514 O THR A 523 14.900 6.729 17.918 1.00 29.53 O +ATOM 3515 CB THR A 523 12.989 8.207 20.161 1.00 29.94 C +ATOM 3516 OG1 THR A 523 11.667 8.201 20.717 1.00 29.99 O +ATOM 3517 CG2 THR A 523 12.885 9.112 18.929 1.00 30.41 C +ATOM 3518 N GLU A 524 15.827 6.861 19.974 1.00 29.27 N +ATOM 3519 CA GLU A 524 17.195 6.906 19.456 1.00 29.87 C +ATOM 3520 C GLU A 524 18.060 5.882 20.174 1.00 30.06 C +ATOM 3521 O GLU A 524 19.009 6.245 20.866 1.00 29.26 O +ATOM 3522 CB GLU A 524 17.803 8.315 19.599 1.00 30.66 C +ATOM 3523 CG GLU A 524 17.085 9.413 18.810 1.00 30.60 C +ATOM 3524 CD GLU A 524 17.183 9.252 17.292 1.00 34.96 C +ATOM 3525 OE1 GLU A 524 18.207 8.717 16.810 1.00 34.52 O +ATOM 3526 OE2 GLU A 524 16.235 9.675 16.571 1.00 32.99 O +ATOM 3527 N PRO A 525 17.743 4.598 20.013 1.00 30.14 N +ATOM 3528 CA PRO A 525 18.534 3.538 20.662 1.00 30.67 C +ATOM 3529 C PRO A 525 19.960 3.391 20.105 1.00 30.63 C +ATOM 3530 O PRO A 525 20.795 2.805 20.766 1.00 30.71 O +ATOM 3531 CB PRO A 525 17.686 2.273 20.432 1.00 30.28 C +ATOM 3532 CG PRO A 525 16.902 2.563 19.200 1.00 29.95 C +ATOM 3533 CD PRO A 525 16.610 4.047 19.244 1.00 30.65 C +ATOM 3534 N GLN A 526 20.248 3.955 18.939 1.00 31.82 N +ATOM 3535 CA GLN A 526 21.590 3.871 18.369 1.00 33.74 C +ATOM 3536 C GLN A 526 22.441 5.120 18.614 1.00 32.95 C +ATOM 3537 O GLN A 526 23.524 5.249 18.057 1.00 31.16 O +ATOM 3538 CB GLN A 526 21.506 3.577 16.857 1.00 35.25 C +ATOM 3539 CG GLN A 526 20.540 2.432 16.480 1.00 39.31 C +ATOM 3540 CD GLN A 526 20.841 1.139 17.226 1.00 44.05 C +ATOM 3541 OE1 GLN A 526 21.994 0.867 17.578 1.00 48.66 O +ATOM 3542 NE2 GLN A 526 19.808 0.335 17.462 1.00 47.72 N +ATOM 3543 N TYR A 527 21.969 6.033 19.464 1.00 32.33 N +ATOM 3544 CA TYR A 527 22.643 7.329 19.627 1.00 31.35 C +ATOM 3545 C TYR A 527 24.093 7.180 20.101 1.00 30.70 C +ATOM 3546 O TYR A 527 24.392 6.398 20.996 1.00 30.07 O +ATOM 3547 CB TYR A 527 21.845 8.253 20.580 1.00 30.95 C +ATOM 3548 CG TYR A 527 22.683 9.361 21.171 1.00 30.76 C +ATOM 3549 CD1 TYR A 527 23.391 9.149 22.338 1.00 32.95 C +ATOM 3550 CD2 TYR A 527 22.800 10.604 20.545 1.00 32.90 C +ATOM 3551 CE1 TYR A 527 24.184 10.136 22.892 1.00 33.80 C +ATOM 3552 CE2 TYR A 527 23.604 11.619 21.098 1.00 28.46 C +ATOM 3553 CZ TYR A 527 24.292 11.363 22.273 1.00 31.52 C +ATOM 3554 OH TYR A 527 25.113 12.299 22.884 1.00 34.16 O +ATOM 3555 N GLN A 528 24.992 7.947 19.494 1.00 31.22 N +ATOM 3556 CA GLN A 528 26.374 8.064 19.973 1.00 32.30 C +ATOM 3557 C GLN A 528 26.764 9.554 20.039 1.00 31.39 C +ATOM 3558 O GLN A 528 26.538 10.298 19.088 1.00 30.32 O +ATOM 3559 CB GLN A 528 27.342 7.309 19.054 1.00 32.77 C +ATOM 3560 CG GLN A 528 27.051 5.812 18.913 1.00 37.20 C +ATOM 3561 CD GLN A 528 27.318 5.020 20.187 1.00 41.70 C +ATOM 3562 OE1 GLN A 528 27.958 5.516 21.117 1.00 47.22 O +ATOM 3563 NE2 GLN A 528 26.819 3.787 20.234 1.00 43.67 N +ATOM 3564 N PRO A 529 27.322 9.999 21.159 1.00 31.28 N +ATOM 3565 CA PRO A 529 27.661 11.422 21.315 1.00 30.91 C +ATOM 3566 C PRO A 529 28.748 11.885 20.353 1.00 29.18 C +ATOM 3567 O PRO A 529 29.623 11.110 20.020 1.00 27.18 O +ATOM 3568 CB PRO A 529 28.191 11.530 22.751 1.00 32.09 C +ATOM 3569 CG PRO A 529 28.132 10.177 23.356 1.00 33.42 C +ATOM 3570 CD PRO A 529 27.659 9.201 22.347 1.00 31.76 C +ATOM 3571 N GLY A 530 28.663 13.136 19.928 1.00 27.55 N +ATOM 3572 CA GLY A 530 29.701 13.802 19.168 1.00 27.19 C +ATOM 3573 C GLY A 530 30.403 14.769 20.092 1.00 26.35 C +ATOM 3574 O GLY A 530 30.429 14.543 21.299 1.00 25.83 O +ATOM 3575 N GLU A 531 30.961 15.837 19.527 1.00 25.89 N +ATOM 3576 CA GLU A 531 31.717 16.838 20.274 1.00 25.41 C +ATOM 3577 C GLU A 531 30.837 17.867 20.936 1.00 25.02 C +ATOM 3578 O GLU A 531 31.298 18.576 21.828 1.00 25.16 O +ATOM 3579 CB GLU A 531 32.722 17.560 19.364 1.00 27.18 C +ATOM 3580 CG GLU A 531 33.871 16.662 18.906 1.00 27.03 C +ATOM 3581 CD GLU A 531 34.953 17.395 18.119 1.00 29.49 C +ATOM 3582 OE1 GLU A 531 34.698 18.501 17.595 1.00 29.38 O +ATOM 3583 OE2 GLU A 531 36.076 16.847 18.026 1.00 27.80 O +ATOM 3584 N ASN A 532 29.592 17.990 20.478 1.00 23.86 N +ATOM 3585 CA ASN A 532 28.692 19.010 21.010 1.00 24.44 C +ATOM 3586 C ASN A 532 27.445 18.436 21.663 1.00 24.93 C +ATOM 3587 O ASN A 532 27.115 18.792 22.798 1.00 25.26 O +ATOM 3588 CB ASN A 532 28.377 20.011 19.907 1.00 24.63 C +ATOM 3589 CG ASN A 532 29.620 20.728 19.463 1.00 26.87 C +ATOM 3590 OD1 ASN A 532 30.125 21.583 20.193 1.00 24.96 O +ATOM 3591 ND2 ASN A 532 30.195 20.301 18.330 1.00 26.23 N +ATOM 3592 N LEU A 533 26.791 17.515 20.963 1.00 25.69 N +ATOM 3593 CA LEU A 533 25.613 16.829 21.468 1.00 26.74 C +ATOM 3594 C LEU A 533 25.810 15.317 21.332 1.00 27.64 C +ATOM 3595 O LEU A 533 25.242 14.568 22.133 1.00 25.73 O +ATOM 3596 CB LEU A 533 24.376 17.264 20.669 1.00 27.23 C +ATOM 3597 CG LEU A 533 23.889 18.715 20.729 1.00 28.14 C +ATOM 3598 CD1 LEU A 533 22.644 18.850 19.855 1.00 27.91 C +ATOM 3599 CD2 LEU A 533 23.568 19.144 22.151 1.00 29.27 C +ATOM 3600 OXT LEU A 533 26.546 14.863 20.421 1.00 28.61 O +TER 3601 LEU A 533 +END diff --git a/bench/main_benchmark/structures/SFB_FS_A1AT_1QLPA_1OPHA/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_A1AT_1QLPA_1OPHA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c0d7e6d29696de885f14180767a9caac4f14eece --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_A1AT_1QLPA_1OPHA/state_a.pdb @@ -0,0 +1,2958 @@ +ATOM 1 N PHE A 23 8.404 13.439 14.171 1.00 73.50 N +ATOM 2 CA PHE A 23 8.944 14.771 13.781 1.00 74.67 C +ATOM 3 C PHE A 23 10.393 14.658 13.315 1.00 71.16 C +ATOM 4 O PHE A 23 11.275 15.387 13.757 1.00 70.18 O +ATOM 5 CB PHE A 23 8.823 15.773 14.924 1.00 76.76 C +ATOM 6 CG PHE A 23 8.650 17.194 14.463 1.00 79.59 C +ATOM 7 CD1 PHE A 23 7.385 17.695 14.203 1.00 80.15 C +ATOM 8 CD2 PHE A 23 9.745 18.023 14.291 1.00 80.49 C +ATOM 9 CE1 PHE A 23 7.214 18.999 13.780 1.00 81.46 C +ATOM 10 CE2 PHE A 23 9.581 19.327 13.868 1.00 82.12 C +ATOM 11 CZ PHE A 23 8.314 19.816 13.612 1.00 82.36 C +ATOM 12 N ASN A 24 10.623 13.719 12.412 1.00 63.74 N +ATOM 13 CA ASN A 24 11.941 13.470 11.843 1.00 60.42 C +ATOM 14 C ASN A 24 11.772 12.629 10.576 1.00 56.00 C +ATOM 15 O ASN A 24 10.941 11.722 10.547 1.00 53.92 O +ATOM 16 CB ASN A 24 12.867 12.784 12.835 1.00 60.68 C +ATOM 17 CG ASN A 24 14.281 12.618 12.314 1.00 60.90 C +ATOM 18 OD1 ASN A 24 14.500 11.985 11.279 1.00 61.47 O +ATOM 19 ND2 ASN A 24 15.249 13.183 13.026 1.00 60.40 N +ATOM 20 N LYS A 25 12.534 12.952 9.548 1.00 51.32 N +ATOM 21 CA LYS A 25 12.467 12.268 8.274 1.00 48.21 C +ATOM 22 C LYS A 25 12.601 10.760 8.393 1.00 42.21 C +ATOM 23 O LYS A 25 11.996 10.028 7.601 1.00 43.46 O +ATOM 24 CB LYS A 25 13.551 12.810 7.326 1.00 49.26 C +ATOM 25 CG LYS A 25 13.096 12.970 5.891 1.00 51.15 C +ATOM 26 CD LYS A 25 12.500 11.697 5.322 1.00 51.76 C +ATOM 27 CE LYS A 25 12.130 11.879 3.854 1.00 52.81 C +ATOM 28 NZ LYS A 25 11.199 10.814 3.387 1.00 52.89 N +ATOM 29 N ILE A 26 13.389 10.280 9.355 1.00 34.41 N +ATOM 30 CA ILE A 26 13.588 8.839 9.477 1.00 34.25 C +ATOM 31 C ILE A 26 12.711 8.197 10.532 1.00 31.85 C +ATOM 32 O ILE A 26 12.796 6.983 10.737 1.00 30.80 O +ATOM 33 CB ILE A 26 15.064 8.486 9.711 1.00 32.35 C +ATOM 34 CG1 ILE A 26 15.501 8.839 11.131 1.00 32.68 C +ATOM 35 CG2 ILE A 26 15.940 9.201 8.683 1.00 32.86 C +ATOM 36 CD1 ILE A 26 16.824 8.220 11.531 1.00 30.40 C +ATOM 37 N THR A 27 11.860 8.972 11.188 1.00 34.50 N +ATOM 38 CA THR A 27 10.975 8.442 12.222 1.00 34.39 C +ATOM 39 C THR A 27 10.067 7.338 11.730 1.00 33.40 C +ATOM 40 O THR A 27 9.965 6.280 12.365 1.00 37.57 O +ATOM 41 CB THR A 27 10.161 9.556 12.900 1.00 33.68 C +ATOM 42 OG1 THR A 27 10.995 10.189 13.887 1.00 35.78 O +ATOM 43 CG2 THR A 27 8.928 8.995 13.587 1.00 33.91 C +ATOM 44 N PRO A 28 9.411 7.535 10.597 1.00 36.60 N +ATOM 45 CA PRO A 28 8.539 6.533 10.013 1.00 33.20 C +ATOM 46 C PRO A 28 9.267 5.217 9.788 1.00 32.76 C +ATOM 47 O PRO A 28 8.703 4.139 9.995 1.00 29.95 O +ATOM 48 CB PRO A 28 8.074 7.148 8.707 1.00 35.63 C +ATOM 49 CG PRO A 28 8.315 8.609 8.843 1.00 39.38 C +ATOM 50 CD PRO A 28 9.483 8.767 9.778 1.00 35.35 C +ATOM 51 N ASN A 29 10.525 5.298 9.361 1.00 28.20 N +ATOM 52 CA ASN A 29 11.342 4.122 9.104 1.00 26.54 C +ATOM 53 C ASN A 29 11.688 3.373 10.393 1.00 23.06 C +ATOM 54 O ASN A 29 11.623 2.142 10.425 1.00 21.81 O +ATOM 55 CB ASN A 29 12.642 4.516 8.390 1.00 27.00 C +ATOM 56 CG ASN A 29 12.387 5.272 7.099 1.00 25.94 C +ATOM 57 OD1 ASN A 29 12.124 4.671 6.055 1.00 27.92 O +ATOM 58 ND2 ASN A 29 12.458 6.588 7.169 1.00 27.04 N +ATOM 59 N LEU A 30 12.099 4.114 11.408 1.00 24.15 N +ATOM 60 CA LEU A 30 12.439 3.561 12.709 1.00 26.20 C +ATOM 61 C LEU A 30 11.230 2.898 13.360 1.00 23.19 C +ATOM 62 O LEU A 30 11.376 1.865 14.016 1.00 26.39 O +ATOM 63 CB LEU A 30 12.984 4.651 13.640 1.00 28.68 C +ATOM 64 CG LEU A 30 14.330 5.259 13.236 1.00 31.23 C +ATOM 65 CD1 LEU A 30 14.560 6.582 13.943 1.00 32.37 C +ATOM 66 CD2 LEU A 30 15.458 4.279 13.529 1.00 31.83 C +ATOM 67 N ALA A 31 10.048 3.471 13.146 1.00 27.36 N +ATOM 68 CA ALA A 31 8.815 2.880 13.706 1.00 24.97 C +ATOM 69 C ALA A 31 8.528 1.577 12.978 1.00 26.09 C +ATOM 70 O ALA A 31 8.137 0.566 13.578 1.00 31.27 O +ATOM 71 CB ALA A 31 7.664 3.854 13.579 1.00 26.56 C +ATOM 72 N GLU A 32 8.771 1.561 11.664 1.00 23.55 N +ATOM 73 CA GLU A 32 8.548 0.318 10.910 1.00 24.72 C +ATOM 74 C GLU A 32 9.553 -0.740 11.361 1.00 22.45 C +ATOM 75 O GLU A 32 9.225 -1.920 11.458 1.00 24.43 O +ATOM 76 CB GLU A 32 8.625 0.552 9.407 1.00 28.93 C +ATOM 77 CG GLU A 32 7.421 1.289 8.835 1.00 33.92 C +ATOM 78 CD GLU A 32 6.109 0.810 9.430 1.00 40.14 C +ATOM 79 OE1 GLU A 32 5.836 -0.413 9.355 1.00 43.05 O +ATOM 80 OE2 GLU A 32 5.349 1.645 9.973 1.00 38.72 O +ATOM 81 N PHE A 33 10.782 -0.312 11.643 1.00 22.92 N +ATOM 82 CA PHE A 33 11.831 -1.233 12.071 1.00 25.16 C +ATOM 83 C PHE A 33 11.491 -1.797 13.449 1.00 18.71 C +ATOM 84 O PHE A 33 11.599 -2.994 13.689 1.00 19.85 O +ATOM 85 CB PHE A 33 13.195 -0.545 12.075 1.00 22.08 C +ATOM 86 CG PHE A 33 14.299 -1.368 12.666 1.00 23.93 C +ATOM 87 CD1 PHE A 33 14.729 -2.532 12.037 1.00 24.40 C +ATOM 88 CD2 PHE A 33 14.916 -0.987 13.841 1.00 25.22 C +ATOM 89 CE1 PHE A 33 15.743 -3.291 12.581 1.00 23.14 C +ATOM 90 CE2 PHE A 33 15.933 -1.747 14.389 1.00 23.25 C +ATOM 91 CZ PHE A 33 16.344 -2.900 13.760 1.00 22.65 C +ATOM 92 N ALA A 34 11.054 -0.916 14.342 1.00 20.87 N +ATOM 93 CA ALA A 34 10.658 -1.337 15.683 1.00 24.66 C +ATOM 94 C ALA A 34 9.613 -2.445 15.588 1.00 18.95 C +ATOM 95 O ALA A 34 9.690 -3.423 16.324 1.00 22.61 O +ATOM 96 CB ALA A 34 10.071 -0.137 16.444 1.00 17.66 C +ATOM 97 N PHE A 35 8.626 -2.270 14.707 1.00 22.70 N +ATOM 98 CA PHE A 35 7.560 -3.262 14.573 1.00 28.59 C +ATOM 99 C PHE A 35 8.037 -4.563 13.963 1.00 29.34 C +ATOM 100 O PHE A 35 7.769 -5.633 14.524 1.00 29.01 O +ATOM 101 CB PHE A 35 6.370 -2.704 13.783 1.00 32.22 C +ATOM 102 CG PHE A 35 5.705 -1.525 14.431 1.00 37.77 C +ATOM 103 CD1 PHE A 35 5.432 -1.530 15.791 1.00 40.43 C +ATOM 104 CD2 PHE A 35 5.349 -0.412 13.691 1.00 37.17 C +ATOM 105 CE1 PHE A 35 4.822 -0.443 16.391 1.00 42.87 C +ATOM 106 CE2 PHE A 35 4.741 0.673 14.279 1.00 39.56 C +ATOM 107 CZ PHE A 35 4.474 0.660 15.634 1.00 40.56 C +ATOM 108 N SER A 36 8.745 -4.509 12.830 1.00 25.45 N +ATOM 109 CA SER A 36 9.210 -5.776 12.231 1.00 29.34 C +ATOM 110 C SER A 36 10.054 -6.541 13.238 1.00 27.09 C +ATOM 111 O SER A 36 9.913 -7.755 13.392 1.00 26.43 O +ATOM 112 CB SER A 36 9.891 -5.570 10.901 1.00 31.92 C +ATOM 113 OG SER A 36 11.049 -4.787 10.953 1.00 35.43 O +ATOM 114 N LEU A 37 10.864 -5.822 14.008 1.00 28.22 N +ATOM 115 CA LEU A 37 11.710 -6.439 15.032 1.00 28.29 C +ATOM 116 C LEU A 37 10.851 -7.020 16.147 1.00 29.53 C +ATOM 117 O LEU A 37 11.024 -8.164 16.565 1.00 23.11 O +ATOM 118 CB LEU A 37 12.700 -5.412 15.556 1.00 31.84 C +ATOM 119 CG LEU A 37 13.887 -5.878 16.383 1.00 34.33 C +ATOM 120 CD1 LEU A 37 14.554 -7.099 15.766 1.00 36.00 C +ATOM 121 CD2 LEU A 37 14.906 -4.748 16.527 1.00 37.00 C +ATOM 122 N TYR A 38 9.884 -6.228 16.623 1.00 28.39 N +ATOM 123 CA TYR A 38 8.991 -6.678 17.673 1.00 25.36 C +ATOM 124 C TYR A 38 8.226 -7.930 17.263 1.00 25.38 C +ATOM 125 O TYR A 38 8.208 -8.924 17.997 1.00 26.56 O +ATOM 126 CB TYR A 38 7.990 -5.580 18.081 1.00 27.24 C +ATOM 127 CG TYR A 38 7.061 -6.074 19.182 1.00 25.36 C +ATOM 128 CD1 TYR A 38 7.398 -5.910 20.517 1.00 25.74 C +ATOM 129 CD2 TYR A 38 5.871 -6.709 18.873 1.00 27.15 C +ATOM 130 CE1 TYR A 38 6.556 -6.365 21.522 1.00 27.61 C +ATOM 131 CE2 TYR A 38 5.026 -7.168 19.870 1.00 26.30 C +ATOM 132 CZ TYR A 38 5.378 -6.991 21.189 1.00 25.89 C +ATOM 133 OH TYR A 38 4.541 -7.451 22.185 1.00 31.95 O +ATOM 134 N ARG A 39 7.593 -7.883 16.091 1.00 27.29 N +ATOM 135 CA ARG A 39 6.797 -9.028 15.636 1.00 33.13 C +ATOM 136 C ARG A 39 7.656 -10.255 15.410 1.00 36.05 C +ATOM 137 O ARG A 39 7.192 -11.392 15.520 1.00 31.37 O +ATOM 138 CB ARG A 39 5.976 -8.647 14.403 1.00 32.82 C +ATOM 139 CG ARG A 39 4.764 -7.802 14.789 1.00 32.72 C +ATOM 140 CD ARG A 39 4.253 -6.954 13.638 1.00 33.26 C +ATOM 141 NE ARG A 39 3.102 -6.154 14.061 1.00 31.48 N +ATOM 142 CZ ARG A 39 2.745 -5.000 13.526 1.00 32.65 C +ATOM 143 NH1 ARG A 39 3.449 -4.484 12.523 1.00 31.94 N +ATOM 144 NH2 ARG A 39 1.681 -4.357 13.989 1.00 31.27 N +ATOM 145 N GLN A 40 8.931 -10.018 15.110 1.00 36.34 N +ATOM 146 CA GLN A 40 9.875 -11.114 14.903 1.00 42.33 C +ATOM 147 C GLN A 40 10.077 -11.830 16.242 1.00 42.10 C +ATOM 148 O GLN A 40 9.886 -13.033 16.364 1.00 42.38 O +ATOM 149 CB GLN A 40 11.205 -10.561 14.395 1.00 44.54 C +ATOM 150 CG GLN A 40 12.352 -11.554 14.410 1.00 48.01 C +ATOM 151 CD GLN A 40 12.186 -12.630 13.357 1.00 49.57 C +ATOM 152 OE1 GLN A 40 12.208 -12.348 12.157 1.00 50.91 O +ATOM 153 NE2 GLN A 40 12.019 -13.866 13.802 1.00 51.21 N +ATOM 154 N LEU A 41 10.418 -11.035 17.255 1.00 37.92 N +ATOM 155 CA LEU A 41 10.658 -11.556 18.589 1.00 35.63 C +ATOM 156 C LEU A 41 9.408 -12.156 19.209 1.00 37.17 C +ATOM 157 O LEU A 41 9.485 -13.192 19.871 1.00 42.12 O +ATOM 158 CB LEU A 41 11.236 -10.463 19.492 1.00 35.25 C +ATOM 159 CG LEU A 41 12.613 -9.934 19.079 1.00 34.97 C +ATOM 160 CD1 LEU A 41 13.039 -8.785 19.972 1.00 34.96 C +ATOM 161 CD2 LEU A 41 13.641 -11.063 19.113 1.00 35.35 C +ATOM 162 N ALA A 42 8.263 -11.518 18.999 1.00 38.85 N +ATOM 163 CA ALA A 42 7.007 -12.011 19.554 1.00 38.75 C +ATOM 164 C ALA A 42 6.640 -13.360 18.937 1.00 42.41 C +ATOM 165 O ALA A 42 5.994 -14.190 19.574 1.00 43.39 O +ATOM 166 CB ALA A 42 5.889 -11.009 19.319 1.00 36.25 C +ATOM 167 N HIS A 43 7.065 -13.560 17.698 1.00 50.09 N +ATOM 168 CA HIS A 43 6.783 -14.792 16.973 1.00 56.37 C +ATOM 169 C HIS A 43 7.620 -15.955 17.484 1.00 54.55 C +ATOM 170 O HIS A 43 7.103 -17.056 17.672 1.00 53.63 O +ATOM 171 CB HIS A 43 7.017 -14.576 15.474 1.00 58.24 C +ATOM 172 CG HIS A 43 5.901 -15.082 14.613 1.00 60.66 C +ATOM 173 ND1 HIS A 43 5.954 -15.066 13.238 1.00 62.26 N +ATOM 174 CD2 HIS A 43 4.701 -15.622 14.937 1.00 61.92 C +ATOM 175 CE1 HIS A 43 4.834 -15.570 12.747 1.00 62.69 C +ATOM 176 NE2 HIS A 43 4.057 -15.917 13.759 1.00 62.78 N +ATOM 177 N GLN A 44 8.907 -15.721 17.715 1.00 59.16 N +ATOM 178 CA GLN A 44 9.791 -16.774 18.211 1.00 59.61 C +ATOM 179 C GLN A 44 9.147 -17.496 19.394 1.00 63.26 C +ATOM 180 O GLN A 44 9.079 -18.724 19.427 1.00 59.70 O +ATOM 181 CB GLN A 44 11.143 -16.202 18.616 1.00 60.45 C +ATOM 182 CG GLN A 44 11.883 -15.465 17.511 1.00 60.60 C +ATOM 183 CD GLN A 44 13.260 -15.010 17.962 1.00 61.04 C +ATOM 184 OE1 GLN A 44 13.966 -14.296 17.251 1.00 60.26 O +ATOM 185 NE2 GLN A 44 13.644 -15.432 19.162 1.00 60.66 N +ATOM 186 N SER A 45 8.672 -16.715 20.358 1.00 69.16 N +ATOM 187 CA SER A 45 8.023 -17.244 21.548 1.00 70.80 C +ATOM 188 C SER A 45 7.147 -16.175 22.204 1.00 70.47 C +ATOM 189 O SER A 45 7.486 -14.991 22.161 1.00 70.43 O +ATOM 190 CB SER A 45 9.064 -17.711 22.572 1.00 71.33 C +ATOM 191 OG SER A 45 9.459 -16.621 23.395 1.00 72.00 O +ATOM 192 N ASN A 46 6.045 -16.597 22.811 1.00 67.36 N +ATOM 193 CA ASN A 46 5.142 -15.668 23.474 1.00 66.65 C +ATOM 194 C ASN A 46 5.127 -15.839 24.985 1.00 64.39 C +ATOM 195 O ASN A 46 4.210 -15.334 25.647 1.00 60.43 O +ATOM 196 CB ASN A 46 3.719 -15.807 22.923 1.00 67.44 C +ATOM 197 CG ASN A 46 3.261 -14.579 22.165 1.00 69.21 C +ATOM 198 OD1 ASN A 46 2.069 -14.415 21.894 1.00 69.24 O +ATOM 199 ND2 ASN A 46 4.202 -13.705 21.823 1.00 69.32 N +ATOM 200 N SER A 47 6.121 -16.529 25.545 1.00 59.42 N +ATOM 201 CA SER A 47 6.152 -16.729 26.992 1.00 58.14 C +ATOM 202 C SER A 47 7.343 -16.060 27.653 1.00 52.68 C +ATOM 203 O SER A 47 7.676 -16.367 28.802 1.00 52.08 O +ATOM 204 CB SER A 47 6.090 -18.214 27.346 1.00 57.63 C +ATOM 205 OG SER A 47 7.221 -18.911 26.858 1.00 61.08 O +ATOM 206 N THR A 48 7.980 -15.124 26.960 1.00 48.27 N +ATOM 207 CA THR A 48 9.123 -14.406 27.515 1.00 46.27 C +ATOM 208 C THR A 48 8.904 -12.896 27.444 1.00 43.38 C +ATOM 209 O THR A 48 8.244 -12.413 26.525 1.00 45.00 O +ATOM 210 CB THR A 48 10.426 -14.745 26.769 1.00 47.16 C +ATOM 211 OG1 THR A 48 10.715 -16.142 26.902 1.00 49.24 O +ATOM 212 CG2 THR A 48 11.588 -13.938 27.326 1.00 47.60 C +ATOM 213 N ASN A 49 9.451 -12.169 28.412 1.00 37.77 N +ATOM 214 CA ASN A 49 9.344 -10.712 28.409 1.00 36.68 C +ATOM 215 C ASN A 49 10.218 -10.153 27.275 1.00 38.99 C +ATOM 216 O ASN A 49 11.336 -10.625 27.071 1.00 42.81 O +ATOM 217 CB ASN A 49 9.809 -10.107 29.720 1.00 36.15 C +ATOM 218 CG ASN A 49 8.897 -10.303 30.897 1.00 35.31 C +ATOM 219 OD1 ASN A 49 7.674 -10.409 30.781 1.00 34.77 O +ATOM 220 ND2 ASN A 49 9.493 -10.350 32.089 1.00 36.70 N +ATOM 221 N ILE A 50 9.700 -9.159 26.567 1.00 34.49 N +ATOM 222 CA ILE A 50 10.465 -8.560 25.475 1.00 33.54 C +ATOM 223 C ILE A 50 10.781 -7.105 25.783 1.00 33.96 C +ATOM 224 O ILE A 50 9.923 -6.341 26.228 1.00 31.94 O +ATOM 225 CB ILE A 50 9.728 -8.672 24.133 1.00 33.95 C +ATOM 226 CG1 ILE A 50 9.585 -10.140 23.726 1.00 34.39 C +ATOM 227 CG2 ILE A 50 10.450 -7.879 23.055 1.00 34.83 C +ATOM 228 CD1 ILE A 50 8.680 -10.372 22.535 1.00 32.63 C +ATOM 229 N PHE A 51 12.037 -6.729 25.565 1.00 28.39 N +ATOM 230 CA PHE A 51 12.480 -5.368 25.788 1.00 27.08 C +ATOM 231 C PHE A 51 13.737 -5.085 24.971 1.00 26.28 C +ATOM 232 O PHE A 51 14.770 -5.727 25.167 1.00 29.02 O +ATOM 233 CB PHE A 51 12.716 -5.052 27.264 1.00 26.74 C +ATOM 234 CG PHE A 51 13.041 -3.593 27.484 1.00 25.09 C +ATOM 235 CD1 PHE A 51 12.070 -2.620 27.302 1.00 24.43 C +ATOM 236 CD2 PHE A 51 14.311 -3.212 27.867 1.00 22.62 C +ATOM 237 CE1 PHE A 51 12.379 -1.280 27.504 1.00 24.44 C +ATOM 238 CE2 PHE A 51 14.621 -1.884 28.065 1.00 23.09 C +ATOM 239 CZ PHE A 51 13.655 -0.909 27.885 1.00 23.31 C +ATOM 240 N PHE A 52 13.628 -4.129 24.058 1.00 24.72 N +ATOM 241 CA PHE A 52 14.746 -3.756 23.207 1.00 23.08 C +ATOM 242 C PHE A 52 14.626 -2.309 22.750 1.00 27.08 C +ATOM 243 O PHE A 52 13.560 -1.703 22.842 1.00 31.84 O +ATOM 244 CB PHE A 52 14.809 -4.676 21.973 1.00 22.87 C +ATOM 245 CG PHE A 52 13.658 -4.479 21.027 1.00 23.53 C +ATOM 246 CD1 PHE A 52 12.451 -5.122 21.245 1.00 24.30 C +ATOM 247 CD2 PHE A 52 13.778 -3.646 19.925 1.00 23.51 C +ATOM 248 CE1 PHE A 52 11.388 -4.947 20.384 1.00 24.44 C +ATOM 249 CE2 PHE A 52 12.720 -3.463 19.057 1.00 24.07 C +ATOM 250 CZ PHE A 52 11.522 -4.113 19.287 1.00 26.39 C +ATOM 251 N SER A 53 15.723 -1.769 22.232 1.00 18.60 N +ATOM 252 CA SER A 53 15.764 -0.421 21.728 1.00 25.27 C +ATOM 253 C SER A 53 15.895 -0.368 20.214 1.00 29.68 C +ATOM 254 O SER A 53 16.977 -0.594 19.671 1.00 25.59 O +ATOM 255 CB SER A 53 16.925 0.370 22.357 1.00 20.93 C +ATOM 256 OG SER A 53 16.907 1.701 21.851 1.00 27.25 O +ATOM 257 N PRO A 54 14.795 -0.067 19.536 1.00 26.23 N +ATOM 258 CA PRO A 54 14.793 0.063 18.093 1.00 26.24 C +ATOM 259 C PRO A 54 15.811 1.121 17.679 1.00 30.37 C +ATOM 260 O PRO A 54 16.574 0.944 16.735 1.00 23.44 O +ATOM 261 CB PRO A 54 13.367 0.515 17.778 1.00 30.30 C +ATOM 262 CG PRO A 54 12.560 -0.047 18.916 1.00 29.83 C +ATOM 263 CD PRO A 54 13.453 0.179 20.127 1.00 20.07 C +ATOM 264 N VAL A 55 15.839 2.225 18.427 1.00 24.34 N +ATOM 265 CA VAL A 55 16.751 3.319 18.160 1.00 26.25 C +ATOM 266 C VAL A 55 18.221 2.996 18.353 1.00 30.69 C +ATOM 267 O VAL A 55 19.035 3.412 17.508 1.00 22.80 O +ATOM 268 CB VAL A 55 16.370 4.561 18.995 1.00 27.27 C +ATOM 269 CG1 VAL A 55 17.464 5.607 18.982 1.00 26.36 C +ATOM 270 CG2 VAL A 55 15.065 5.157 18.459 1.00 27.98 C +ATOM 271 N SER A 56 18.601 2.301 19.424 1.00 23.23 N +ATOM 272 CA SER A 56 20.013 2.002 19.659 1.00 31.21 C +ATOM 273 C SER A 56 20.557 1.026 18.616 1.00 28.43 C +ATOM 274 O SER A 56 21.681 1.170 18.145 1.00 28.96 O +ATOM 275 CB SER A 56 20.268 1.495 21.071 1.00 26.16 C +ATOM 276 OG SER A 56 19.877 0.144 21.227 1.00 29.39 O +ATOM 277 N ILE A 57 19.750 0.049 18.253 1.00 25.30 N +ATOM 278 CA ILE A 57 20.116 -0.959 17.277 1.00 20.80 C +ATOM 279 C ILE A 57 20.250 -0.382 15.877 1.00 26.40 C +ATOM 280 O ILE A 57 21.233 -0.645 15.171 1.00 30.55 O +ATOM 281 CB ILE A 57 19.116 -2.123 17.274 1.00 21.48 C +ATOM 282 CG1 ILE A 57 19.167 -2.874 18.606 1.00 22.39 C +ATOM 283 CG2 ILE A 57 19.435 -3.056 16.112 1.00 20.49 C +ATOM 284 CD1 ILE A 57 18.015 -3.837 18.817 1.00 23.55 C +ATOM 285 N ALA A 58 19.280 0.406 15.451 1.00 25.83 N +ATOM 286 CA ALA A 58 19.274 1.021 14.136 1.00 24.89 C +ATOM 287 C ALA A 58 20.436 2.003 13.975 1.00 29.39 C +ATOM 288 O ALA A 58 21.051 2.076 12.912 1.00 28.61 O +ATOM 289 CB ALA A 58 17.963 1.752 13.883 1.00 22.35 C +ATOM 290 N THR A 59 20.715 2.752 15.025 1.00 26.65 N +ATOM 291 CA THR A 59 21.788 3.737 15.023 1.00 28.13 C +ATOM 292 C THR A 59 23.142 3.055 14.881 1.00 29.00 C +ATOM 293 O THR A 59 24.016 3.515 14.146 1.00 24.75 O +ATOM 294 CB THR A 59 21.751 4.583 16.309 1.00 30.29 C +ATOM 295 OG1 THR A 59 20.595 5.437 16.265 1.00 31.37 O +ATOM 296 CG2 THR A 59 22.992 5.449 16.437 1.00 30.14 C +ATOM 297 N ALA A 60 23.318 1.957 15.588 1.00 24.83 N +ATOM 298 CA ALA A 60 24.548 1.181 15.556 1.00 26.36 C +ATOM 299 C ALA A 60 24.823 0.652 14.146 1.00 32.61 C +ATOM 300 O ALA A 60 25.942 0.719 13.646 1.00 27.09 O +ATOM 301 CB ALA A 60 24.413 -0.031 16.491 1.00 25.51 C +ATOM 302 N PHE A 61 23.772 0.095 13.539 1.00 29.16 N +ATOM 303 CA PHE A 61 23.906 -0.488 12.214 1.00 29.10 C +ATOM 304 C PHE A 61 24.030 0.532 11.115 1.00 30.67 C +ATOM 305 O PHE A 61 24.758 0.283 10.138 1.00 31.68 O +ATOM 306 CB PHE A 61 22.838 -1.563 11.991 1.00 25.90 C +ATOM 307 CG PHE A 61 23.351 -2.881 12.536 1.00 29.52 C +ATOM 308 CD1 PHE A 61 23.476 -3.058 13.904 1.00 29.64 C +ATOM 309 CD2 PHE A 61 23.736 -3.895 11.684 1.00 30.56 C +ATOM 310 CE1 PHE A 61 23.954 -4.256 14.411 1.00 29.96 C +ATOM 311 CE2 PHE A 61 24.216 -5.092 12.185 1.00 31.25 C +ATOM 312 CZ PHE A 61 24.325 -5.269 13.551 1.00 31.81 C +ATOM 313 N ALA A 62 23.401 1.697 11.265 1.00 28.00 N +ATOM 314 CA ALA A 62 23.536 2.740 10.249 1.00 32.57 C +ATOM 315 C ALA A 62 25.004 3.203 10.248 1.00 32.35 C +ATOM 316 O ALA A 62 25.614 3.422 9.210 1.00 31.03 O +ATOM 317 CB ALA A 62 22.609 3.898 10.520 1.00 32.03 C +ATOM 318 N MET A 63 25.540 3.349 11.454 1.00 35.00 N +ATOM 319 CA MET A 63 26.931 3.769 11.634 1.00 34.88 C +ATOM 320 C MET A 63 27.875 2.762 10.979 1.00 34.11 C +ATOM 321 O MET A 63 28.833 3.123 10.292 1.00 26.79 O +ATOM 322 CB MET A 63 27.226 3.905 13.118 1.00 36.30 C +ATOM 323 CG MET A 63 28.643 4.302 13.488 1.00 38.32 C +ATOM 324 SD MET A 63 29.166 3.476 15.015 1.00 40.36 S +ATOM 325 CE MET A 63 29.365 1.802 14.401 1.00 39.69 C +ATOM 326 N LEU A 64 27.597 1.489 11.189 1.00 30.98 N +ATOM 327 CA LEU A 64 28.385 0.401 10.634 1.00 31.74 C +ATOM 328 C LEU A 64 28.371 0.394 9.111 1.00 38.26 C +ATOM 329 O LEU A 64 29.396 0.142 8.472 1.00 30.45 O +ATOM 330 CB LEU A 64 27.842 -0.925 11.167 1.00 30.89 C +ATOM 331 CG LEU A 64 28.451 -2.206 10.620 1.00 34.69 C +ATOM 332 CD1 LEU A 64 29.934 -2.287 10.963 1.00 33.78 C +ATOM 333 CD2 LEU A 64 27.709 -3.427 11.157 1.00 31.31 C +ATOM 334 N SER A 65 27.212 0.657 8.517 1.00 29.67 N +ATOM 335 CA SER A 65 27.075 0.650 7.072 1.00 31.26 C +ATOM 336 C SER A 65 28.102 1.567 6.410 1.00 29.94 C +ATOM 337 O SER A 65 28.493 1.326 5.269 1.00 29.44 O +ATOM 338 CB SER A 65 25.660 0.999 6.626 1.00 26.68 C +ATOM 339 OG SER A 65 25.335 2.354 6.862 1.00 26.89 O +ATOM 340 N LEU A 66 28.528 2.583 7.132 1.00 27.91 N +ATOM 341 CA LEU A 66 29.487 3.558 6.676 1.00 34.34 C +ATOM 342 C LEU A 66 30.806 2.921 6.242 1.00 32.75 C +ATOM 343 O LEU A 66 31.532 3.492 5.434 1.00 35.20 O +ATOM 344 CB LEU A 66 29.761 4.593 7.775 1.00 33.06 C +ATOM 345 CG LEU A 66 28.646 5.604 8.043 1.00 35.20 C +ATOM 346 CD1 LEU A 66 29.081 6.612 9.098 1.00 36.09 C +ATOM 347 CD2 LEU A 66 28.233 6.304 6.756 1.00 34.71 C +ATOM 348 N GLY A 67 31.102 1.759 6.795 1.00 30.87 N +ATOM 349 CA GLY A 67 32.323 1.038 6.490 1.00 34.79 C +ATOM 350 C GLY A 67 32.067 -0.120 5.537 1.00 33.61 C +ATOM 351 O GLY A 67 32.930 -0.984 5.359 1.00 31.10 O +ATOM 352 N THR A 68 30.870 -0.148 4.942 1.00 25.83 N +ATOM 353 CA THR A 68 30.542 -1.251 4.036 1.00 26.79 C +ATOM 354 C THR A 68 30.193 -0.700 2.654 1.00 23.87 C +ATOM 355 O THR A 68 29.953 0.491 2.525 1.00 29.85 O +ATOM 356 CB THR A 68 29.337 -2.059 4.562 1.00 27.47 C +ATOM 357 OG1 THR A 68 28.168 -1.213 4.505 1.00 26.13 O +ATOM 358 CG2 THR A 68 29.556 -2.508 5.990 1.00 25.77 C +ATOM 359 N LYS A 69 30.049 -1.591 1.671 1.00 30.06 N +ATOM 360 CA LYS A 69 29.703 -1.143 0.324 1.00 36.12 C +ATOM 361 C LYS A 69 28.827 -2.146 -0.402 1.00 25.70 C +ATOM 362 O LYS A 69 28.674 -3.286 0.025 1.00 28.22 O +ATOM 363 CB LYS A 69 31.013 -0.935 -0.476 1.00 40.57 C +ATOM 364 CG LYS A 69 31.972 0.014 0.222 1.00 45.89 C +ATOM 365 CD LYS A 69 33.168 0.340 -0.664 1.00 51.35 C +ATOM 366 CE LYS A 69 34.231 1.089 0.135 1.00 53.07 C +ATOM 367 NZ LYS A 69 35.550 1.057 -0.562 1.00 55.06 N +ATOM 368 N ALA A 70 28.242 -1.715 -1.511 1.00 32.04 N +ATOM 369 CA ALA A 70 27.404 -2.534 -2.353 1.00 35.30 C +ATOM 370 C ALA A 70 26.294 -3.275 -1.617 1.00 41.01 C +ATOM 371 O ALA A 70 25.652 -2.759 -0.709 1.00 42.54 O +ATOM 372 CB ALA A 70 28.263 -3.545 -3.120 1.00 35.33 C +ATOM 373 N ASP A 71 26.060 -4.513 -2.049 1.00 39.88 N +ATOM 374 CA ASP A 71 25.036 -5.366 -1.492 1.00 42.56 C +ATOM 375 C ASP A 71 25.119 -5.459 0.028 1.00 43.54 C +ATOM 376 O ASP A 71 24.080 -5.425 0.689 1.00 32.88 O +ATOM 377 CB ASP A 71 25.086 -6.764 -2.112 1.00 45.28 C +ATOM 378 CG ASP A 71 25.033 -6.738 -3.628 1.00 48.42 C +ATOM 379 OD1 ASP A 71 24.345 -5.866 -4.200 1.00 48.82 O +ATOM 380 OD2 ASP A 71 25.684 -7.599 -4.258 1.00 49.65 O +ATOM 381 N THR A 72 26.327 -5.593 0.563 1.00 37.37 N +ATOM 382 CA THR A 72 26.515 -5.688 2.012 1.00 34.45 C +ATOM 383 C THR A 72 25.906 -4.456 2.685 1.00 31.89 C +ATOM 384 O THR A 72 25.189 -4.524 3.675 1.00 32.32 O +ATOM 385 CB THR A 72 28.009 -5.772 2.376 1.00 34.73 C +ATOM 386 OG1 THR A 72 28.581 -6.974 1.843 1.00 31.70 O +ATOM 387 CG2 THR A 72 28.195 -5.783 3.889 1.00 33.61 C +ATOM 388 N HIS A 73 26.211 -3.308 2.106 1.00 31.29 N +ATOM 389 CA HIS A 73 25.729 -2.022 2.583 1.00 37.74 C +ATOM 390 C HIS A 73 24.210 -1.924 2.454 1.00 41.94 C +ATOM 391 O HIS A 73 23.483 -1.677 3.422 1.00 28.76 O +ATOM 392 CB HIS A 73 26.393 -0.918 1.763 1.00 36.68 C +ATOM 393 CG HIS A 73 25.825 0.447 1.944 1.00 35.63 C +ATOM 394 ND1 HIS A 73 24.721 0.896 1.250 1.00 34.96 N +ATOM 395 CD2 HIS A 73 26.224 1.481 2.726 1.00 35.57 C +ATOM 396 CE1 HIS A 73 24.458 2.139 1.606 1.00 34.85 C +ATOM 397 NE2 HIS A 73 25.359 2.519 2.497 1.00 36.65 N +ATOM 398 N ASP A 74 23.743 -2.137 1.231 1.00 39.66 N +ATOM 399 CA ASP A 74 22.331 -2.083 0.911 1.00 43.49 C +ATOM 400 C ASP A 74 21.482 -2.976 1.802 1.00 35.54 C +ATOM 401 O ASP A 74 20.401 -2.545 2.233 1.00 40.25 O +ATOM 402 CB ASP A 74 22.108 -2.454 -0.566 1.00 42.91 C +ATOM 403 CG ASP A 74 22.603 -1.377 -1.507 1.00 42.87 C +ATOM 404 OD1 ASP A 74 22.891 -0.251 -1.045 1.00 42.55 O +ATOM 405 OD2 ASP A 74 22.704 -1.654 -2.725 1.00 45.51 O +ATOM 406 N GLU A 75 21.930 -4.187 2.072 1.00 31.32 N +ATOM 407 CA GLU A 75 21.180 -5.108 2.920 1.00 35.51 C +ATOM 408 C GLU A 75 20.900 -4.468 4.287 1.00 33.56 C +ATOM 409 O GLU A 75 19.790 -4.536 4.793 1.00 28.00 O +ATOM 410 CB GLU A 75 21.947 -6.399 3.139 1.00 35.66 C +ATOM 411 CG GLU A 75 21.704 -7.515 2.147 1.00 37.12 C +ATOM 412 CD GLU A 75 22.171 -8.850 2.715 1.00 37.56 C +ATOM 413 OE1 GLU A 75 22.991 -8.820 3.660 1.00 37.58 O +ATOM 414 OE2 GLU A 75 21.723 -9.898 2.221 1.00 38.19 O +ATOM 415 N ILE A 76 21.938 -3.869 4.862 1.00 29.77 N +ATOM 416 CA ILE A 76 21.846 -3.228 6.160 1.00 29.73 C +ATOM 417 C ILE A 76 20.814 -2.116 6.212 1.00 26.14 C +ATOM 418 O ILE A 76 19.993 -2.092 7.131 1.00 28.74 O +ATOM 419 CB ILE A 76 23.208 -2.665 6.618 1.00 27.46 C +ATOM 420 CG1 ILE A 76 24.190 -3.817 6.888 1.00 27.03 C +ATOM 421 CG2 ILE A 76 23.042 -1.820 7.865 1.00 27.04 C +ATOM 422 CD1 ILE A 76 25.595 -3.343 7.209 1.00 25.86 C +ATOM 423 N LEU A 77 20.835 -1.190 5.260 1.00 24.29 N +ATOM 424 CA LEU A 77 19.865 -0.101 5.273 1.00 30.37 C +ATOM 425 C LEU A 77 18.454 -0.599 4.998 1.00 29.69 C +ATOM 426 O LEU A 77 17.513 -0.097 5.636 1.00 31.42 O +ATOM 427 CB LEU A 77 20.260 1.053 4.376 1.00 29.81 C +ATOM 428 CG LEU A 77 21.639 1.674 4.682 1.00 28.79 C +ATOM 429 CD1 LEU A 77 21.855 2.916 3.843 1.00 27.42 C +ATOM 430 CD2 LEU A 77 21.765 1.970 6.160 1.00 29.45 C +ATOM 431 N GLU A 78 18.293 -1.577 4.127 1.00 29.64 N +ATOM 432 CA GLU A 78 16.972 -2.115 3.824 1.00 33.05 C +ATOM 433 C GLU A 78 16.425 -2.922 5.001 1.00 31.83 C +ATOM 434 O GLU A 78 15.215 -2.947 5.211 1.00 28.53 O +ATOM 435 CB GLU A 78 16.967 -2.974 2.569 1.00 33.05 C +ATOM 436 CG GLU A 78 17.366 -2.224 1.301 1.00 38.68 C +ATOM 437 CD GLU A 78 17.465 -3.177 0.119 1.00 40.91 C +ATOM 438 OE1 GLU A 78 17.889 -4.332 0.323 1.00 43.14 O +ATOM 439 OE2 GLU A 78 17.111 -2.766 -1.004 1.00 44.43 O +ATOM 440 N GLY A 79 17.318 -3.562 5.737 1.00 29.56 N +ATOM 441 CA GLY A 79 16.930 -4.356 6.901 1.00 28.10 C +ATOM 442 C GLY A 79 16.525 -3.415 8.042 1.00 29.61 C +ATOM 443 O GLY A 79 15.941 -3.845 9.032 1.00 31.85 O +ATOM 444 N LEU A 80 16.861 -2.140 7.887 1.00 27.74 N +ATOM 445 CA LEU A 80 16.509 -1.127 8.880 1.00 27.28 C +ATOM 446 C LEU A 80 15.263 -0.373 8.387 1.00 23.38 C +ATOM 447 O LEU A 80 14.887 0.681 8.896 1.00 25.70 O +ATOM 448 CB LEU A 80 17.635 -0.160 9.182 1.00 26.35 C +ATOM 449 CG LEU A 80 18.911 -0.744 9.803 1.00 30.57 C +ATOM 450 CD1 LEU A 80 19.947 0.349 10.022 1.00 27.61 C +ATOM 451 CD2 LEU A 80 18.589 -1.476 11.096 1.00 30.61 C +ATOM 452 N ASN A 81 14.617 -0.967 7.391 1.00 25.24 N +ATOM 453 CA ASN A 81 13.386 -0.472 6.828 1.00 31.46 C +ATOM 454 C ASN A 81 13.509 0.797 6.017 1.00 29.24 C +ATOM 455 O ASN A 81 12.554 1.583 5.946 1.00 25.98 O +ATOM 456 CB ASN A 81 12.315 -0.302 7.934 1.00 25.75 C +ATOM 457 CG ASN A 81 11.831 -1.651 8.437 1.00 29.95 C +ATOM 458 OD1 ASN A 81 10.775 -2.151 8.038 1.00 33.68 O +ATOM 459 ND2 ASN A 81 12.598 -2.281 9.312 1.00 26.55 N +ATOM 460 N PHE A 82 14.655 1.037 5.387 1.00 27.13 N +ATOM 461 CA PHE A 82 14.815 2.226 4.550 1.00 28.45 C +ATOM 462 C PHE A 82 14.738 1.769 3.084 1.00 27.36 C +ATOM 463 O PHE A 82 15.398 0.801 2.723 1.00 32.19 O +ATOM 464 CB PHE A 82 16.134 2.950 4.764 1.00 29.97 C +ATOM 465 CG PHE A 82 16.304 3.620 6.093 1.00 29.08 C +ATOM 466 CD1 PHE A 82 15.740 4.862 6.331 1.00 28.69 C +ATOM 467 CD2 PHE A 82 17.025 3.010 7.107 1.00 28.06 C +ATOM 468 CE1 PHE A 82 15.890 5.481 7.556 1.00 29.22 C +ATOM 469 CE2 PHE A 82 17.178 3.625 8.336 1.00 28.93 C +ATOM 470 CZ PHE A 82 16.608 4.861 8.560 1.00 28.94 C +ATOM 471 N ASN A 83 13.939 2.456 2.289 1.00 34.77 N +ATOM 472 CA ASN A 83 13.812 2.118 0.867 1.00 35.07 C +ATOM 473 C ASN A 83 14.762 3.026 0.085 1.00 35.24 C +ATOM 474 O ASN A 83 14.448 4.183 -0.169 1.00 32.76 O +ATOM 475 CB ASN A 83 12.372 2.264 0.410 1.00 37.11 C +ATOM 476 CG ASN A 83 12.121 1.820 -1.012 1.00 37.66 C +ATOM 477 OD1 ASN A 83 13.011 1.877 -1.859 1.00 35.26 O +ATOM 478 ND2 ASN A 83 10.892 1.377 -1.286 1.00 37.26 N +ATOM 479 N LEU A 84 15.928 2.488 -0.263 1.00 35.04 N +ATOM 480 CA LEU A 84 16.940 3.263 -0.968 1.00 33.16 C +ATOM 481 C LEU A 84 16.517 3.841 -2.291 1.00 36.17 C +ATOM 482 O LEU A 84 17.150 4.797 -2.785 1.00 35.84 O +ATOM 483 CB LEU A 84 18.233 2.434 -1.070 1.00 31.96 C +ATOM 484 CG LEU A 84 18.693 1.878 0.298 1.00 34.46 C +ATOM 485 CD1 LEU A 84 19.927 1.024 0.153 1.00 32.52 C +ATOM 486 CD2 LEU A 84 18.912 3.021 1.283 1.00 29.62 C +ATOM 487 N THR A 85 15.443 3.346 -2.896 1.00 39.17 N +ATOM 488 CA THR A 85 14.979 3.909 -4.164 1.00 43.63 C +ATOM 489 C THR A 85 14.201 5.195 -3.920 1.00 42.75 C +ATOM 490 O THR A 85 13.974 5.979 -4.838 1.00 43.49 O +ATOM 491 CB THR A 85 14.110 2.918 -4.954 1.00 45.56 C +ATOM 492 OG1 THR A 85 12.840 2.760 -4.307 1.00 47.43 O +ATOM 493 CG2 THR A 85 14.792 1.563 -5.041 1.00 43.76 C +ATOM 494 N GLU A 86 13.808 5.425 -2.664 1.00 41.21 N +ATOM 495 CA GLU A 86 13.025 6.603 -2.329 1.00 40.95 C +ATOM 496 C GLU A 86 13.703 7.601 -1.429 1.00 35.57 C +ATOM 497 O GLU A 86 13.411 8.810 -1.540 1.00 33.38 O +ATOM 498 CB GLU A 86 11.672 6.153 -1.733 1.00 43.64 C +ATOM 499 CG GLU A 86 10.848 5.338 -2.723 1.00 47.80 C +ATOM 500 CD GLU A 86 9.633 4.681 -2.108 1.00 51.80 C +ATOM 501 OE1 GLU A 86 9.788 3.895 -1.148 1.00 53.30 O +ATOM 502 OE2 GLU A 86 8.505 4.944 -2.584 1.00 53.37 O +ATOM 503 N ILE A 87 14.582 7.180 -0.521 1.00 33.10 N +ATOM 504 CA ILE A 87 15.237 8.132 0.372 1.00 31.67 C +ATOM 505 C ILE A 87 16.751 8.121 0.214 1.00 33.15 C +ATOM 506 O ILE A 87 17.393 7.085 0.394 1.00 33.89 O +ATOM 507 CB ILE A 87 14.906 7.875 1.857 1.00 32.93 C +ATOM 508 CG1 ILE A 87 15.420 9.047 2.703 1.00 34.32 C +ATOM 509 CG2 ILE A 87 15.540 6.574 2.323 1.00 34.25 C +ATOM 510 CD1 ILE A 87 15.100 8.950 4.178 1.00 37.71 C +ATOM 511 N PRO A 88 17.322 9.274 -0.094 1.00 32.39 N +ATOM 512 CA PRO A 88 18.757 9.421 -0.272 1.00 33.80 C +ATOM 513 C PRO A 88 19.523 9.109 1.001 1.00 33.90 C +ATOM 514 O PRO A 88 19.132 9.519 2.100 1.00 32.19 O +ATOM 515 CB PRO A 88 18.940 10.884 -0.668 1.00 36.12 C +ATOM 516 CG PRO A 88 17.600 11.328 -1.147 1.00 34.06 C +ATOM 517 CD PRO A 88 16.603 10.550 -0.321 1.00 30.66 C +ATOM 518 N GLU A 89 20.636 8.402 0.864 1.00 35.89 N +ATOM 519 CA GLU A 89 21.473 8.019 1.981 1.00 37.84 C +ATOM 520 C GLU A 89 21.884 9.186 2.859 1.00 41.23 C +ATOM 521 O GLU A 89 21.917 9.055 4.094 1.00 34.66 O +ATOM 522 CB GLU A 89 22.702 7.246 1.486 1.00 38.79 C +ATOM 523 CG GLU A 89 22.384 5.811 1.069 1.00 40.74 C +ATOM 524 CD GLU A 89 23.620 5.059 0.612 1.00 43.44 C +ATOM 525 OE1 GLU A 89 24.733 5.453 1.018 1.00 44.00 O +ATOM 526 OE2 GLU A 89 23.487 4.078 -0.152 1.00 43.58 O +ATOM 527 N ALA A 90 22.195 10.334 2.262 1.00 36.54 N +ATOM 528 CA ALA A 90 22.610 11.498 3.040 1.00 38.98 C +ATOM 529 C ALA A 90 21.525 11.905 4.033 1.00 38.96 C +ATOM 530 O ALA A 90 21.823 12.401 5.119 1.00 36.60 O +ATOM 531 CB ALA A 90 22.951 12.671 2.135 1.00 36.91 C +ATOM 532 N GLN A 91 20.270 11.712 3.633 1.00 39.17 N +ATOM 533 CA GLN A 91 19.149 12.063 4.500 1.00 41.88 C +ATOM 534 C GLN A 91 19.054 11.081 5.664 1.00 39.99 C +ATOM 535 O GLN A 91 18.663 11.446 6.770 1.00 39.92 O +ATOM 536 CB GLN A 91 17.842 12.093 3.713 1.00 43.42 C +ATOM 537 CG GLN A 91 17.860 13.036 2.520 1.00 46.97 C +ATOM 538 CD GLN A 91 16.518 13.706 2.298 1.00 48.10 C +ATOM 539 OE1 GLN A 91 15.469 13.062 2.335 1.00 48.67 O +ATOM 540 NE2 GLN A 91 16.549 15.014 2.068 1.00 48.94 N +ATOM 541 N ILE A 92 19.419 9.834 5.393 1.00 38.58 N +ATOM 542 CA ILE A 92 19.388 8.793 6.418 1.00 36.82 C +ATOM 543 C ILE A 92 20.360 9.119 7.540 1.00 38.96 C +ATOM 544 O ILE A 92 19.976 9.151 8.711 1.00 35.08 O +ATOM 545 CB ILE A 92 19.694 7.412 5.811 1.00 35.86 C +ATOM 546 CG1 ILE A 92 18.621 7.056 4.780 1.00 34.18 C +ATOM 547 CG2 ILE A 92 19.761 6.353 6.903 1.00 35.99 C +ATOM 548 CD1 ILE A 92 18.833 5.762 4.038 1.00 31.84 C +ATOM 549 N HIS A 93 21.614 9.402 7.189 1.00 40.86 N +ATOM 550 CA HIS A 93 22.630 9.719 8.186 1.00 38.95 C +ATOM 551 C HIS A 93 22.359 11.019 8.912 1.00 42.66 C +ATOM 552 O HIS A 93 22.564 11.099 10.135 1.00 42.13 O +ATOM 553 CB HIS A 93 24.028 9.700 7.569 1.00 38.99 C +ATOM 554 CG HIS A 93 24.398 8.350 7.024 1.00 37.02 C +ATOM 555 ND1 HIS A 93 24.524 7.240 7.834 1.00 37.42 N +ATOM 556 CD2 HIS A 93 24.663 7.934 5.767 1.00 36.86 C +ATOM 557 CE1 HIS A 93 24.853 6.196 7.094 1.00 35.62 C +ATOM 558 NE2 HIS A 93 24.941 6.587 5.837 1.00 36.07 N +ATOM 559 N GLU A 94 21.894 12.041 8.197 1.00 43.87 N +ATOM 560 CA GLU A 94 21.580 13.313 8.868 1.00 46.75 C +ATOM 561 C GLU A 94 20.436 13.068 9.850 1.00 44.96 C +ATOM 562 O GLU A 94 20.368 13.655 10.925 1.00 40.91 O +ATOM 563 CB GLU A 94 21.247 14.398 7.867 1.00 48.84 C +ATOM 564 CG GLU A 94 20.040 14.138 6.990 1.00 52.97 C +ATOM 565 CD GLU A 94 18.746 14.638 7.600 1.00 55.40 C +ATOM 566 OE1 GLU A 94 18.789 15.661 8.319 1.00 57.07 O +ATOM 567 OE2 GLU A 94 17.687 14.016 7.365 1.00 55.48 O +ATOM 568 N GLY A 95 19.541 12.156 9.461 1.00 40.50 N +ATOM 569 CA GLY A 95 18.406 11.806 10.310 1.00 41.10 C +ATOM 570 C GLY A 95 18.914 11.237 11.636 1.00 36.20 C +ATOM 571 O GLY A 95 18.447 11.612 12.708 1.00 39.50 O +ATOM 572 N PHE A 96 19.886 10.330 11.539 1.00 36.03 N +ATOM 573 CA PHE A 96 20.458 9.731 12.742 1.00 35.90 C +ATOM 574 C PHE A 96 21.248 10.781 13.517 1.00 40.39 C +ATOM 575 O PHE A 96 21.243 10.790 14.749 1.00 38.63 O +ATOM 576 CB PHE A 96 21.301 8.508 12.415 1.00 32.24 C +ATOM 577 CG PHE A 96 20.487 7.266 12.165 1.00 30.57 C +ATOM 578 CD1 PHE A 96 19.901 6.587 13.219 1.00 28.49 C +ATOM 579 CD2 PHE A 96 20.312 6.780 10.880 1.00 27.05 C +ATOM 580 CE1 PHE A 96 19.151 5.447 12.995 1.00 26.97 C +ATOM 581 CE2 PHE A 96 19.567 5.644 10.650 1.00 27.43 C +ATOM 582 CZ PHE A 96 18.984 4.974 11.712 1.00 27.60 C +ATOM 583 N GLN A 97 21.894 11.689 12.785 1.00 46.99 N +ATOM 584 CA GLN A 97 22.664 12.754 13.415 1.00 49.89 C +ATOM 585 C GLN A 97 21.776 13.624 14.302 1.00 51.16 C +ATOM 586 O GLN A 97 22.091 13.843 15.473 1.00 51.19 O +ATOM 587 CB GLN A 97 23.385 13.617 12.384 1.00 51.42 C +ATOM 588 CG GLN A 97 24.844 13.277 12.165 1.00 52.70 C +ATOM 589 CD GLN A 97 25.126 12.562 10.865 1.00 54.01 C +ATOM 590 OE1 GLN A 97 25.337 11.349 10.828 1.00 54.51 O +ATOM 591 NE2 GLN A 97 25.143 13.311 9.763 1.00 53.86 N +ATOM 592 N GLU A 98 20.677 14.124 13.745 1.00 52.56 N +ATOM 593 CA GLU A 98 19.762 14.964 14.512 1.00 53.97 C +ATOM 594 C GLU A 98 19.221 14.204 15.721 1.00 54.10 C +ATOM 595 O GLU A 98 19.009 14.783 16.786 1.00 56.48 O +ATOM 596 CB GLU A 98 18.600 15.457 13.656 1.00 54.73 C +ATOM 597 CG GLU A 98 18.885 16.693 12.829 1.00 56.39 C +ATOM 598 CD GLU A 98 19.434 17.842 13.650 1.00 57.17 C +ATOM 599 OE1 GLU A 98 20.633 17.800 14.005 1.00 58.80 O +ATOM 600 OE2 GLU A 98 18.682 18.791 13.943 1.00 56.24 O +ATOM 601 N LEU A 99 18.994 12.907 15.539 1.00 52.11 N +ATOM 602 CA LEU A 99 18.475 12.076 16.623 1.00 52.21 C +ATOM 603 C LEU A 99 19.463 12.053 17.786 1.00 52.98 C +ATOM 604 O LEU A 99 19.089 12.210 18.946 1.00 52.36 O +ATOM 605 CB LEU A 99 18.202 10.656 16.132 1.00 51.45 C +ATOM 606 CG LEU A 99 17.549 9.698 17.129 1.00 52.73 C +ATOM 607 CD1 LEU A 99 16.059 9.980 17.252 1.00 52.90 C +ATOM 608 CD2 LEU A 99 17.789 8.250 16.732 1.00 52.07 C +ATOM 609 N LEU A 100 20.738 11.862 17.456 1.00 54.53 N +ATOM 610 CA LEU A 100 21.788 11.808 18.461 1.00 57.64 C +ATOM 611 C LEU A 100 22.002 13.145 19.149 1.00 58.53 C +ATOM 612 O LEU A 100 22.138 13.195 20.376 1.00 57.69 O +ATOM 613 CB LEU A 100 23.090 11.287 17.850 1.00 56.43 C +ATOM 614 CG LEU A 100 23.031 9.850 17.315 1.00 57.67 C +ATOM 615 CD1 LEU A 100 24.425 9.329 17.012 1.00 57.56 C +ATOM 616 CD2 LEU A 100 22.316 8.939 18.301 1.00 56.32 C +ATOM 617 N ARG A 101 22.025 14.229 18.383 1.00 63.40 N +ATOM 618 CA ARG A 101 22.218 15.558 18.958 1.00 68.16 C +ATOM 619 C ARG A 101 21.102 15.889 19.943 1.00 70.22 C +ATOM 620 O ARG A 101 21.194 16.847 20.707 1.00 67.22 O +ATOM 621 CB ARG A 101 22.291 16.617 17.859 1.00 68.79 C +ATOM 622 CG ARG A 101 23.526 16.499 16.972 1.00 70.96 C +ATOM 623 CD ARG A 101 23.302 17.184 15.634 1.00 72.66 C +ATOM 624 NE ARG A 101 24.444 17.046 14.737 1.00 74.39 N +ATOM 625 CZ ARG A 101 24.361 17.188 13.415 1.00 76.08 C +ATOM 626 NH1 ARG A 101 23.187 17.467 12.860 1.00 76.78 N +ATOM 627 NH2 ARG A 101 25.439 17.050 12.655 1.00 75.09 N +ATOM 628 N THR A 102 20.046 15.082 19.925 1.00 73.26 N +ATOM 629 CA THR A 102 18.908 15.286 20.808 1.00 74.54 C +ATOM 630 C THR A 102 18.973 14.399 22.044 1.00 74.94 C +ATOM 631 O THR A 102 18.752 14.858 23.165 1.00 75.67 O +ATOM 632 CB THR A 102 17.580 15.007 20.069 1.00 74.87 C +ATOM 633 OG1 THR A 102 17.414 15.958 19.011 1.00 75.32 O +ATOM 634 CG2 THR A 102 16.408 15.101 21.029 1.00 74.68 C +ATOM 635 N LEU A 103 19.267 13.123 21.841 1.00 74.98 N +ATOM 636 CA LEU A 103 19.335 12.149 22.909 1.00 75.70 C +ATOM 637 C LEU A 103 20.370 12.462 23.972 1.00 77.26 C +ATOM 638 O LEU A 103 20.223 12.007 25.116 1.00 77.15 O +ATOM 639 CB LEU A 103 19.596 10.742 22.346 1.00 75.52 C +ATOM 640 CG LEU A 103 18.532 10.201 21.383 1.00 75.13 C +ATOM 641 CD1 LEU A 103 18.794 8.726 21.085 1.00 74.67 C +ATOM 642 CD2 LEU A 103 17.143 10.367 21.995 1.00 74.82 C +ATOM 643 N ASN A 104 21.421 13.204 23.629 1.00 80.97 N +ATOM 644 CA ASN A 104 22.451 13.512 24.615 1.00 84.80 C +ATOM 645 C ASN A 104 22.875 14.969 24.608 1.00 85.26 C +ATOM 646 O ASN A 104 23.879 15.342 24.002 1.00 85.72 O +ATOM 647 CB ASN A 104 23.657 12.591 24.446 1.00 85.27 C +ATOM 648 CG ASN A 104 24.313 12.697 23.088 1.00 85.75 C +ATOM 649 OD1 ASN A 104 23.809 12.166 22.098 1.00 86.23 O +ATOM 650 ND2 ASN A 104 25.448 13.384 23.031 1.00 85.96 N +ATOM 651 N GLN A 105 22.103 15.799 25.304 1.00 87.58 N +ATOM 652 CA GLN A 105 22.404 17.225 25.408 1.00 88.37 C +ATOM 653 C GLN A 105 22.720 17.566 26.860 1.00 89.69 C +ATOM 654 O GLN A 105 22.198 16.935 27.781 1.00 87.67 O +ATOM 655 CB GLN A 105 21.287 18.081 24.836 1.00 88.31 C +ATOM 656 CG GLN A 105 21.296 18.131 23.310 1.00 87.89 C +ATOM 657 CD GLN A 105 20.150 18.938 22.745 1.00 88.41 C +ATOM 658 OE1 GLN A 105 18.983 18.595 22.943 1.00 88.59 O +ATOM 659 NE2 GLN A 105 20.475 20.017 22.037 1.00 88.18 N +ATOM 660 N PRO A 106 23.604 18.530 27.069 1.00 91.15 N +ATOM 661 CA PRO A 106 24.051 18.936 28.373 1.00 92.12 C +ATOM 662 C PRO A 106 22.990 19.212 29.412 1.00 92.38 C +ATOM 663 O PRO A 106 22.570 18.327 30.164 1.00 90.97 O +ATOM 664 CB PRO A 106 24.878 20.198 28.099 1.00 91.82 C +ATOM 665 CG PRO A 106 25.368 20.021 26.705 1.00 91.65 C +ATOM 666 CD PRO A 106 24.276 19.291 25.977 1.00 90.53 C +ATOM 667 N ASP A 107 22.549 20.458 29.500 1.00 94.77 N +ATOM 668 CA ASP A 107 21.578 20.933 30.448 1.00 96.37 C +ATOM 669 C ASP A 107 20.325 20.106 30.624 1.00 95.90 C +ATOM 670 O ASP A 107 19.595 20.328 31.609 1.00 96.40 O +ATOM 671 CB ASP A 107 21.184 22.390 30.111 1.00 96.33 C +ATOM 672 CG ASP A 107 20.795 23.160 31.360 1.00 96.61 C +ATOM 673 OD1 ASP A 107 21.394 22.903 32.427 1.00 96.42 O +ATOM 674 OD2 ASP A 107 19.894 24.018 31.275 1.00 96.92 O +ATOM 675 N SER A 108 20.031 19.174 29.730 1.00 93.90 N +ATOM 676 CA SER A 108 18.823 18.356 29.858 1.00 92.30 C +ATOM 677 C SER A 108 19.139 16.871 29.778 1.00 89.78 C +ATOM 678 O SER A 108 19.769 16.423 28.816 1.00 90.41 O +ATOM 679 CB SER A 108 17.822 18.736 28.762 1.00 92.72 C +ATOM 680 OG SER A 108 17.575 20.130 28.762 1.00 93.43 O +ATOM 681 N GLN A 109 18.697 16.098 30.773 1.00 85.21 N +ATOM 682 CA GLN A 109 18.973 14.670 30.759 1.00 82.88 C +ATOM 683 C GLN A 109 17.786 13.794 31.116 1.00 81.06 C +ATOM 684 O GLN A 109 17.207 13.858 32.195 1.00 78.50 O +ATOM 685 CB GLN A 109 20.176 14.344 31.645 1.00 83.26 C +ATOM 686 CG GLN A 109 20.197 15.066 32.979 1.00 83.49 C +ATOM 687 CD GLN A 109 21.539 14.943 33.677 1.00 83.78 C +ATOM 688 OE1 GLN A 109 21.785 15.604 34.685 1.00 84.07 O +ATOM 689 NE2 GLN A 109 22.410 14.097 33.138 1.00 83.38 N +ATOM 690 N LEU A 110 17.439 12.930 30.162 1.00 76.34 N +ATOM 691 CA LEU A 110 16.349 11.971 30.324 1.00 73.82 C +ATOM 692 C LEU A 110 16.887 10.778 31.127 1.00 73.05 C +ATOM 693 O LEU A 110 16.194 9.825 31.438 1.00 73.66 O +ATOM 694 CB LEU A 110 15.868 11.507 28.954 1.00 73.51 C +ATOM 695 CG LEU A 110 14.809 10.407 28.914 1.00 73.24 C +ATOM 696 CD1 LEU A 110 13.557 10.838 29.662 1.00 73.51 C +ATOM 697 CD2 LEU A 110 14.476 10.046 27.473 1.00 73.46 C +ATOM 698 N GLN A 111 18.176 10.879 31.442 1.00 70.72 N +ATOM 699 CA GLN A 111 18.883 9.860 32.195 1.00 71.09 C +ATOM 700 C GLN A 111 18.946 8.552 31.413 1.00 69.57 C +ATOM 701 O GLN A 111 18.434 7.522 31.845 1.00 69.08 O +ATOM 702 CB GLN A 111 18.248 9.642 33.567 1.00 71.76 C +ATOM 703 CG GLN A 111 19.272 9.405 34.672 1.00 73.24 C +ATOM 704 CD GLN A 111 20.313 10.508 34.726 1.00 73.59 C +ATOM 705 OE1 GLN A 111 20.017 11.632 35.132 1.00 74.30 O +ATOM 706 NE2 GLN A 111 21.535 10.192 34.315 1.00 73.54 N +ATOM 707 N LEU A 112 19.584 8.619 30.246 1.00 63.86 N +ATOM 708 CA LEU A 112 19.724 7.449 29.388 1.00 61.26 C +ATOM 709 C LEU A 112 21.180 7.000 29.315 1.00 58.79 C +ATOM 710 O LEU A 112 22.041 7.729 28.823 1.00 59.61 O +ATOM 711 CB LEU A 112 19.191 7.753 27.987 1.00 61.19 C +ATOM 712 CG LEU A 112 18.941 6.550 27.076 1.00 61.65 C +ATOM 713 CD1 LEU A 112 17.832 5.672 27.636 1.00 61.23 C +ATOM 714 CD2 LEU A 112 18.604 7.008 25.664 1.00 61.80 C +ATOM 715 N THR A 113 21.447 5.800 29.815 1.00 52.79 N +ATOM 716 CA THR A 113 22.807 5.251 29.792 1.00 48.96 C +ATOM 717 C THR A 113 22.921 4.276 28.622 1.00 47.98 C +ATOM 718 O THR A 113 22.429 3.151 28.694 1.00 44.37 O +ATOM 719 CB THR A 113 23.158 4.557 31.111 1.00 50.16 C +ATOM 720 OG1 THR A 113 23.223 5.537 32.162 1.00 49.33 O +ATOM 721 CG2 THR A 113 24.492 3.836 31.028 1.00 50.04 C +ATOM 722 N THR A 114 23.540 4.734 27.540 1.00 45.12 N +ATOM 723 CA THR A 114 23.685 3.926 26.339 1.00 46.01 C +ATOM 724 C THR A 114 25.101 3.953 25.787 1.00 45.33 C +ATOM 725 O THR A 114 25.889 4.852 26.083 1.00 43.67 O +ATOM 726 CB THR A 114 22.712 4.427 25.245 1.00 45.93 C +ATOM 727 OG1 THR A 114 22.680 3.502 24.156 1.00 47.11 O +ATOM 728 CG2 THR A 114 23.163 5.789 24.741 1.00 47.50 C +ATOM 729 N GLY A 115 25.427 2.949 24.962 1.00 41.40 N +ATOM 730 CA GLY A 115 26.749 2.875 24.373 1.00 30.77 C +ATOM 731 C GLY A 115 26.842 1.812 23.283 1.00 31.02 C +ATOM 732 O GLY A 115 26.079 0.852 23.238 1.00 29.19 O +ATOM 733 N ASN A 116 27.795 2.028 22.384 1.00 29.16 N +ATOM 734 CA ASN A 116 28.046 1.089 21.289 1.00 34.99 C +ATOM 735 C ASN A 116 29.565 0.930 21.166 1.00 34.94 C +ATOM 736 O ASN A 116 30.271 1.922 20.984 1.00 33.21 O +ATOM 737 CB ASN A 116 27.428 1.566 19.988 1.00 38.54 C +ATOM 738 CG ASN A 116 27.386 0.504 18.909 1.00 40.74 C +ATOM 739 OD1 ASN A 116 26.577 -0.420 18.933 1.00 37.96 O +ATOM 740 ND2 ASN A 116 28.277 0.629 17.930 1.00 42.29 N +ATOM 741 N GLY A 117 30.046 -0.303 21.293 1.00 34.25 N +ATOM 742 CA GLY A 117 31.480 -0.546 21.227 1.00 30.32 C +ATOM 743 C GLY A 117 31.866 -1.473 20.074 1.00 30.20 C +ATOM 744 O GLY A 117 31.299 -2.540 19.890 1.00 26.16 O +ATOM 745 N LEU A 118 32.849 -1.032 19.307 1.00 24.10 N +ATOM 746 CA LEU A 118 33.369 -1.800 18.176 1.00 31.09 C +ATOM 747 C LEU A 118 34.732 -2.388 18.580 1.00 30.67 C +ATOM 748 O LEU A 118 35.609 -1.625 18.980 1.00 31.56 O +ATOM 749 CB LEU A 118 33.556 -0.907 16.969 1.00 30.06 C +ATOM 750 CG LEU A 118 32.355 -0.289 16.279 1.00 34.85 C +ATOM 751 CD1 LEU A 118 32.770 0.367 14.969 1.00 35.48 C +ATOM 752 CD2 LEU A 118 31.262 -1.325 16.018 1.00 35.97 C +ATOM 753 N PHE A 119 34.882 -3.698 18.491 1.00 32.80 N +ATOM 754 CA PHE A 119 36.155 -4.333 18.869 1.00 28.69 C +ATOM 755 C PHE A 119 36.768 -5.012 17.652 1.00 29.81 C +ATOM 756 O PHE A 119 36.239 -5.998 17.152 1.00 24.81 O +ATOM 757 CB PHE A 119 35.910 -5.307 20.027 1.00 29.74 C +ATOM 758 CG PHE A 119 35.483 -4.573 21.282 1.00 31.29 C +ATOM 759 CD1 PHE A 119 34.154 -4.259 21.496 1.00 31.13 C +ATOM 760 CD2 PHE A 119 36.418 -4.193 22.226 1.00 31.07 C +ATOM 761 CE1 PHE A 119 33.766 -3.583 22.641 1.00 33.72 C +ATOM 762 CE2 PHE A 119 36.040 -3.516 23.370 1.00 32.13 C +ATOM 763 CZ PHE A 119 34.708 -3.207 23.581 1.00 32.13 C +ATOM 764 N LEU A 120 37.871 -4.458 17.161 1.00 30.27 N +ATOM 765 CA LEU A 120 38.558 -4.955 15.986 1.00 31.02 C +ATOM 766 C LEU A 120 39.931 -5.544 16.283 1.00 30.39 C +ATOM 767 O LEU A 120 40.722 -4.987 17.045 1.00 29.03 O +ATOM 768 CB LEU A 120 38.738 -3.797 14.981 1.00 30.42 C +ATOM 769 CG LEU A 120 37.465 -3.311 14.281 1.00 29.13 C +ATOM 770 CD1 LEU A 120 37.666 -1.907 13.728 1.00 29.75 C +ATOM 771 CD2 LEU A 120 37.083 -4.279 13.168 1.00 30.01 C +ATOM 772 N SER A 121 40.237 -6.656 15.630 1.00 31.47 N +ATOM 773 CA SER A 121 41.506 -7.339 15.787 1.00 33.04 C +ATOM 774 C SER A 121 42.698 -6.405 15.641 1.00 32.50 C +ATOM 775 O SER A 121 42.749 -5.581 14.726 1.00 31.93 O +ATOM 776 CB SER A 121 41.622 -8.458 14.727 1.00 33.81 C +ATOM 777 OG SER A 121 42.979 -8.851 14.600 1.00 36.59 O +ATOM 778 N GLU A 122 43.654 -6.521 16.561 1.00 39.87 N +ATOM 779 CA GLU A 122 44.876 -5.700 16.447 1.00 46.07 C +ATOM 780 C GLU A 122 45.657 -6.290 15.266 1.00 46.14 C +ATOM 781 O GLU A 122 45.461 -7.479 14.978 1.00 48.44 O +ATOM 782 CB GLU A 122 45.707 -5.766 17.715 1.00 46.53 C +ATOM 783 CG GLU A 122 46.393 -7.104 17.939 1.00 48.94 C +ATOM 784 CD GLU A 122 47.180 -7.166 19.231 1.00 49.83 C +ATOM 785 OE1 GLU A 122 47.983 -8.111 19.393 1.00 51.66 O +ATOM 786 OE2 GLU A 122 47.006 -6.277 20.089 1.00 50.06 O +ATOM 787 N GLY A 123 46.480 -5.503 14.603 1.00 44.35 N +ATOM 788 CA GLY A 123 47.223 -6.057 13.452 1.00 49.67 C +ATOM 789 C GLY A 123 46.434 -5.769 12.173 1.00 50.05 C +ATOM 790 O GLY A 123 46.907 -6.008 11.069 1.00 49.86 O +ATOM 791 N LEU A 124 45.221 -5.249 12.352 1.00 48.86 N +ATOM 792 CA LEU A 124 44.378 -4.881 11.224 1.00 48.30 C +ATOM 793 C LEU A 124 44.673 -3.425 10.839 1.00 46.45 C +ATOM 794 O LEU A 124 44.776 -2.574 11.721 1.00 43.25 O +ATOM 795 CB LEU A 124 42.898 -5.001 11.565 1.00 49.49 C +ATOM 796 CG LEU A 124 42.195 -6.325 11.296 1.00 49.31 C +ATOM 797 CD1 LEU A 124 40.716 -6.218 11.646 1.00 48.59 C +ATOM 798 CD2 LEU A 124 42.366 -6.753 9.844 1.00 49.42 C +ATOM 799 N LYS A 125 44.819 -3.172 9.549 1.00 43.37 N +ATOM 800 CA LYS A 125 45.055 -1.803 9.086 1.00 42.93 C +ATOM 801 C LYS A 125 43.687 -1.135 8.897 1.00 44.72 C +ATOM 802 O LYS A 125 43.030 -1.366 7.885 1.00 47.17 O +ATOM 803 CB LYS A 125 45.848 -1.793 7.790 1.00 44.12 C +ATOM 804 CG LYS A 125 46.336 -0.416 7.354 1.00 45.75 C +ATOM 805 CD LYS A 125 46.927 -0.492 5.944 1.00 50.21 C +ATOM 806 CE LYS A 125 47.211 0.889 5.386 1.00 50.08 C +ATOM 807 NZ LYS A 125 47.780 0.836 4.013 1.00 51.03 N +ATOM 808 N LEU A 126 43.271 -0.358 9.889 1.00 41.29 N +ATOM 809 CA LEU A 126 41.979 0.312 9.846 1.00 41.05 C +ATOM 810 C LEU A 126 42.004 1.573 9.003 1.00 42.26 C +ATOM 811 O LEU A 126 43.025 2.254 8.912 1.00 47.32 O +ATOM 812 CB LEU A 126 41.527 0.657 11.281 1.00 37.85 C +ATOM 813 CG LEU A 126 41.588 -0.520 12.258 1.00 35.86 C +ATOM 814 CD1 LEU A 126 41.199 -0.097 13.663 1.00 36.90 C +ATOM 815 CD2 LEU A 126 40.710 -1.664 11.776 1.00 34.56 C +ATOM 816 N VAL A 127 40.879 1.877 8.373 1.00 45.49 N +ATOM 817 CA VAL A 127 40.751 3.074 7.544 1.00 44.16 C +ATOM 818 C VAL A 127 40.371 4.262 8.421 1.00 46.83 C +ATOM 819 O VAL A 127 39.352 4.225 9.112 1.00 43.23 O +ATOM 820 CB VAL A 127 39.695 2.886 6.447 1.00 44.22 C +ATOM 821 CG1 VAL A 127 39.525 4.160 5.634 1.00 45.46 C +ATOM 822 CG2 VAL A 127 40.076 1.720 5.546 1.00 45.35 C +ATOM 823 N ASP A 128 41.193 5.302 8.396 1.00 46.57 N +ATOM 824 CA ASP A 128 40.967 6.486 9.201 1.00 49.94 C +ATOM 825 C ASP A 128 39.560 7.041 9.113 1.00 49.41 C +ATOM 826 O ASP A 128 38.906 7.222 10.149 1.00 49.65 O +ATOM 827 CB ASP A 128 42.006 7.566 8.875 1.00 51.16 C +ATOM 828 CG ASP A 128 43.370 7.228 9.458 1.00 52.80 C +ATOM 829 OD1 ASP A 128 43.456 7.059 10.694 1.00 53.78 O +ATOM 830 OD2 ASP A 128 44.344 7.130 8.689 1.00 52.96 O +ATOM 831 N LYS A 129 39.076 7.336 7.915 1.00 46.52 N +ATOM 832 CA LYS A 129 37.745 7.897 7.731 1.00 44.48 C +ATOM 833 C LYS A 129 36.699 7.167 8.559 1.00 44.36 C +ATOM 834 O LYS A 129 35.862 7.800 9.208 1.00 42.48 O +ATOM 835 CB LYS A 129 37.352 7.899 6.253 1.00 46.61 C +ATOM 836 CG LYS A 129 36.083 8.676 5.945 1.00 47.43 C +ATOM 837 CD LYS A 129 36.322 10.176 6.001 1.00 48.51 C +ATOM 838 CE LYS A 129 35.031 10.956 5.816 1.00 49.12 C +ATOM 839 NZ LYS A 129 34.147 10.866 7.012 1.00 50.68 N +ATOM 840 N PHE A 130 36.739 5.835 8.546 1.00 41.77 N +ATOM 841 CA PHE A 130 35.785 5.047 9.310 1.00 39.49 C +ATOM 842 C PHE A 130 35.853 5.389 10.798 1.00 43.39 C +ATOM 843 O PHE A 130 34.832 5.676 11.419 1.00 42.06 O +ATOM 844 CB PHE A 130 35.992 3.546 9.115 1.00 39.01 C +ATOM 845 CG PHE A 130 35.025 2.720 9.921 1.00 38.00 C +ATOM 846 CD1 PHE A 130 33.662 2.819 9.696 1.00 37.64 C +ATOM 847 CD2 PHE A 130 35.479 1.854 10.903 1.00 38.05 C +ATOM 848 CE1 PHE A 130 32.769 2.065 10.437 1.00 37.28 C +ATOM 849 CE2 PHE A 130 34.594 1.102 11.642 1.00 36.41 C +ATOM 850 CZ PHE A 130 33.235 1.206 11.408 1.00 37.80 C +ATOM 851 N LEU A 131 37.057 5.348 11.352 1.00 43.62 N +ATOM 852 CA LEU A 131 37.269 5.647 12.761 1.00 46.53 C +ATOM 853 C LEU A 131 36.804 7.059 13.094 1.00 48.15 C +ATOM 854 O LEU A 131 36.344 7.321 14.203 1.00 45.38 O +ATOM 855 CB LEU A 131 38.738 5.451 13.137 1.00 46.70 C +ATOM 856 CG LEU A 131 39.300 4.047 12.875 1.00 45.78 C +ATOM 857 CD1 LEU A 131 40.665 3.889 13.521 1.00 46.13 C +ATOM 858 CD2 LEU A 131 38.328 2.990 13.378 1.00 45.02 C +ATOM 859 N GLU A 132 36.914 7.957 12.118 1.00 49.20 N +ATOM 860 CA GLU A 132 36.478 9.337 12.287 1.00 49.98 C +ATOM 861 C GLU A 132 34.947 9.390 12.363 1.00 47.72 C +ATOM 862 O GLU A 132 34.379 10.012 13.254 1.00 47.54 O +ATOM 863 CB GLU A 132 36.945 10.209 11.124 1.00 50.81 C +ATOM 864 CG GLU A 132 38.442 10.394 10.996 1.00 53.58 C +ATOM 865 CD GLU A 132 38.853 10.905 9.625 1.00 54.04 C +ATOM 866 OE1 GLU A 132 38.148 11.770 9.069 1.00 53.87 O +ATOM 867 OE2 GLU A 132 39.885 10.435 9.101 1.00 55.67 O +ATOM 868 N ASP A 133 34.302 8.732 11.405 1.00 48.55 N +ATOM 869 CA ASP A 133 32.844 8.697 11.352 1.00 50.61 C +ATOM 870 C ASP A 133 32.275 8.150 12.662 1.00 49.10 C +ATOM 871 O ASP A 133 31.425 8.766 13.297 1.00 49.64 O +ATOM 872 CB ASP A 133 32.355 7.845 10.187 1.00 51.44 C +ATOM 873 CG ASP A 133 32.629 8.419 8.818 1.00 52.69 C +ATOM 874 OD1 ASP A 133 32.544 9.650 8.634 1.00 53.03 O +ATOM 875 OD2 ASP A 133 32.933 7.627 7.892 1.00 53.47 O +ATOM 876 N VAL A 134 32.758 6.981 13.056 1.00 45.78 N +ATOM 877 CA VAL A 134 32.313 6.324 14.274 1.00 44.85 C +ATOM 878 C VAL A 134 32.340 7.245 15.482 1.00 48.29 C +ATOM 879 O VAL A 134 31.322 7.454 16.148 1.00 51.11 O +ATOM 880 CB VAL A 134 33.179 5.077 14.564 1.00 43.42 C +ATOM 881 CG1 VAL A 134 32.871 4.510 15.936 1.00 42.56 C +ATOM 882 CG2 VAL A 134 32.959 4.031 13.479 1.00 43.13 C +ATOM 883 N LYS A 135 33.505 7.801 15.784 1.00 51.30 N +ATOM 884 CA LYS A 135 33.693 8.672 16.923 1.00 56.52 C +ATOM 885 C LYS A 135 33.143 10.073 16.760 1.00 56.05 C +ATOM 886 O LYS A 135 32.580 10.619 17.724 1.00 58.03 O +ATOM 887 CB LYS A 135 35.194 8.733 17.283 1.00 56.68 C +ATOM 888 CG LYS A 135 35.774 7.368 17.630 1.00 58.12 C +ATOM 889 CD LYS A 135 37.294 7.392 17.630 1.00 59.84 C +ATOM 890 CE LYS A 135 37.868 5.983 17.679 1.00 60.07 C +ATOM 891 NZ LYS A 135 39.357 5.993 17.659 1.00 60.83 N +ATOM 892 N LYS A 136 33.283 10.686 15.592 1.00 57.53 N +ATOM 893 CA LYS A 136 32.813 12.039 15.372 1.00 58.10 C +ATOM 894 C LYS A 136 31.343 12.163 15.026 1.00 57.17 C +ATOM 895 O LYS A 136 30.631 12.970 15.640 1.00 58.92 O +ATOM 896 CB LYS A 136 33.650 12.748 14.288 1.00 58.73 C +ATOM 897 CG LYS A 136 33.222 14.199 14.094 1.00 60.31 C +ATOM 898 CD LYS A 136 34.221 14.980 13.258 1.00 61.27 C +ATOM 899 CE LYS A 136 33.766 16.418 13.065 1.00 62.55 C +ATOM 900 NZ LYS A 136 34.706 17.195 12.207 1.00 63.25 N +ATOM 901 N LEU A 137 30.870 11.424 14.031 1.00 56.72 N +ATOM 902 CA LEU A 137 29.480 11.503 13.611 1.00 56.29 C +ATOM 903 C LEU A 137 28.532 10.777 14.552 1.00 55.65 C +ATOM 904 O LEU A 137 27.574 11.369 15.054 1.00 59.48 O +ATOM 905 CB LEU A 137 29.317 10.954 12.188 1.00 56.60 C +ATOM 906 CG LEU A 137 29.858 11.836 11.059 1.00 56.99 C +ATOM 907 CD1 LEU A 137 29.539 11.222 9.703 1.00 57.07 C +ATOM 908 CD2 LEU A 137 29.293 13.244 11.163 1.00 56.35 C +ATOM 909 N TYR A 138 28.785 9.496 14.788 1.00 54.16 N +ATOM 910 CA TYR A 138 27.940 8.689 15.655 1.00 53.12 C +ATOM 911 C TYR A 138 28.430 8.631 17.089 1.00 54.89 C +ATOM 912 O TYR A 138 27.901 7.871 17.908 1.00 54.18 O +ATOM 913 CB TYR A 138 27.809 7.272 15.074 1.00 50.29 C +ATOM 914 CG TYR A 138 26.898 7.227 13.863 1.00 50.98 C +ATOM 915 CD1 TYR A 138 27.336 7.651 12.618 1.00 49.38 C +ATOM 916 CD2 TYR A 138 25.596 6.760 13.977 1.00 50.96 C +ATOM 917 CE1 TYR A 138 26.500 7.611 11.517 1.00 48.54 C +ATOM 918 CE2 TYR A 138 24.755 6.715 12.882 1.00 49.66 C +ATOM 919 CZ TYR A 138 25.213 7.141 11.655 1.00 48.67 C +ATOM 920 OH TYR A 138 24.371 7.096 10.566 1.00 49.24 O +ATOM 921 N HIS A 139 29.429 9.444 17.412 1.00 59.21 N +ATOM 922 CA HIS A 139 29.979 9.494 18.758 1.00 61.26 C +ATOM 923 C HIS A 139 29.965 8.121 19.418 1.00 60.46 C +ATOM 924 O HIS A 139 29.424 7.954 20.509 1.00 62.32 O +ATOM 925 CB HIS A 139 29.200 10.493 19.620 1.00 62.47 C +ATOM 926 CG HIS A 139 29.186 11.878 19.047 1.00 64.14 C +ATOM 927 ND1 HIS A 139 28.489 12.197 17.902 1.00 65.35 N +ATOM 928 CD2 HIS A 139 29.781 13.021 19.458 1.00 64.75 C +ATOM 929 CE1 HIS A 139 28.655 13.480 17.631 1.00 65.30 C +ATOM 930 NE2 HIS A 139 29.435 14.003 18.560 1.00 64.93 N +ATOM 931 N SER A 140 30.563 7.149 18.741 1.00 56.97 N +ATOM 932 CA SER A 140 30.633 5.787 19.264 1.00 54.49 C +ATOM 933 C SER A 140 32.078 5.470 19.643 1.00 52.22 C +ATOM 934 O SER A 140 32.942 6.345 19.528 1.00 49.74 O +ATOM 935 CB SER A 140 30.099 4.786 18.248 1.00 54.75 C +ATOM 936 OG SER A 140 29.511 3.674 18.905 1.00 56.62 O +ATOM 937 N GLU A 141 32.335 4.252 20.093 1.00 47.40 N +ATOM 938 CA GLU A 141 33.684 3.876 20.499 1.00 47.98 C +ATOM 939 C GLU A 141 34.220 2.678 19.735 1.00 45.01 C +ATOM 940 O GLU A 141 33.543 1.675 19.535 1.00 45.61 O +ATOM 941 CB GLU A 141 33.706 3.621 22.011 1.00 48.36 C +ATOM 942 CG GLU A 141 33.356 4.866 22.823 1.00 50.25 C +ATOM 943 CD GLU A 141 33.129 4.557 24.289 1.00 51.15 C +ATOM 944 OE1 GLU A 141 34.119 4.463 25.045 1.00 52.44 O +ATOM 945 OE2 GLU A 141 31.955 4.407 24.684 1.00 51.18 O +ATOM 946 N ALA A 142 35.469 2.794 19.295 1.00 42.18 N +ATOM 947 CA ALA A 142 36.141 1.725 18.563 1.00 37.01 C +ATOM 948 C ALA A 142 37.436 1.379 19.307 1.00 40.48 C +ATOM 949 O ALA A 142 38.160 2.271 19.737 1.00 39.33 O +ATOM 950 CB ALA A 142 36.422 2.110 17.134 1.00 35.03 C +ATOM 951 N PHE A 143 37.672 0.087 19.503 1.00 41.55 N +ATOM 952 CA PHE A 143 38.853 -0.353 20.225 1.00 40.55 C +ATOM 953 C PHE A 143 39.573 -1.462 19.457 1.00 37.45 C +ATOM 954 O PHE A 143 38.962 -2.165 18.671 1.00 34.70 O +ATOM 955 CB PHE A 143 38.473 -0.895 21.611 1.00 39.42 C +ATOM 956 CG PHE A 143 37.843 0.123 22.513 1.00 41.86 C +ATOM 957 CD1 PHE A 143 38.627 1.020 23.218 1.00 39.74 C +ATOM 958 CD2 PHE A 143 36.463 0.181 22.660 1.00 42.03 C +ATOM 959 CE1 PHE A 143 38.052 1.957 24.052 1.00 42.72 C +ATOM 960 CE2 PHE A 143 35.886 1.117 23.494 1.00 42.66 C +ATOM 961 CZ PHE A 143 36.678 2.005 24.192 1.00 42.69 C +ATOM 962 N THR A 144 40.866 -1.597 19.734 1.00 34.47 N +ATOM 963 CA THR A 144 41.628 -2.689 19.111 1.00 41.73 C +ATOM 964 C THR A 144 41.963 -3.704 20.199 1.00 38.82 C +ATOM 965 O THR A 144 42.324 -3.303 21.313 1.00 41.71 O +ATOM 966 CB THR A 144 42.882 -2.191 18.398 1.00 40.65 C +ATOM 967 OG1 THR A 144 43.527 -3.299 17.744 1.00 45.68 O +ATOM 968 CG2 THR A 144 43.859 -1.558 19.371 1.00 42.03 C +ATOM 969 N VAL A 145 41.752 -4.987 19.933 1.00 34.65 N +ATOM 970 CA VAL A 145 42.042 -6.012 20.927 1.00 37.80 C +ATOM 971 C VAL A 145 42.718 -7.228 20.304 1.00 37.85 C +ATOM 972 O VAL A 145 42.684 -7.419 19.089 1.00 39.68 O +ATOM 973 CB VAL A 145 40.796 -6.484 21.694 1.00 37.05 C +ATOM 974 CG1 VAL A 145 40.213 -5.351 22.523 1.00 37.87 C +ATOM 975 CG2 VAL A 145 39.759 -7.058 20.743 1.00 36.19 C +ATOM 976 N ASN A 146 43.324 -8.048 21.162 1.00 35.69 N +ATOM 977 CA ASN A 146 43.995 -9.255 20.680 1.00 37.85 C +ATOM 978 C ASN A 146 43.037 -10.440 20.750 1.00 35.09 C +ATOM 979 O ASN A 146 42.885 -11.058 21.799 1.00 32.72 O +ATOM 980 CB ASN A 146 45.269 -9.542 21.459 1.00 38.11 C +ATOM 981 CG ASN A 146 45.887 -10.885 21.110 1.00 39.29 C +ATOM 982 OD1 ASN A 146 45.761 -11.379 19.992 1.00 38.85 O +ATOM 983 ND2 ASN A 146 46.560 -11.488 22.081 1.00 39.51 N +ATOM 984 N PHE A 147 42.388 -10.729 19.621 1.00 33.72 N +ATOM 985 CA PHE A 147 41.446 -11.843 19.574 1.00 33.75 C +ATOM 986 C PHE A 147 42.168 -13.179 19.622 1.00 32.11 C +ATOM 987 O PHE A 147 41.534 -14.230 19.722 1.00 34.05 O +ATOM 988 CB PHE A 147 40.521 -11.735 18.367 1.00 34.37 C +ATOM 989 CG PHE A 147 39.379 -10.774 18.588 1.00 32.80 C +ATOM 990 CD1 PHE A 147 38.477 -10.987 19.617 1.00 33.03 C +ATOM 991 CD2 PHE A 147 39.216 -9.671 17.772 1.00 32.13 C +ATOM 992 CE1 PHE A 147 37.425 -10.110 19.830 1.00 30.68 C +ATOM 993 CE2 PHE A 147 38.167 -8.792 17.977 1.00 32.22 C +ATOM 994 CZ PHE A 147 37.275 -9.014 19.006 1.00 30.76 C +ATOM 995 N GLY A 148 43.498 -13.129 19.581 1.00 33.71 N +ATOM 996 CA GLY A 148 44.296 -14.364 19.663 1.00 31.47 C +ATOM 997 C GLY A 148 44.063 -14.991 21.046 1.00 31.68 C +ATOM 998 O GLY A 148 44.178 -16.196 21.221 1.00 31.92 O +ATOM 999 N ASP A 149 43.729 -14.138 22.005 1.00 31.64 N +ATOM 1000 CA ASP A 149 43.428 -14.565 23.374 1.00 33.08 C +ATOM 1001 C ASP A 149 41.934 -14.316 23.623 1.00 36.97 C +ATOM 1002 O ASP A 149 41.533 -13.254 24.093 1.00 32.47 O +ATOM 1003 CB ASP A 149 44.285 -13.805 24.375 1.00 34.39 C +ATOM 1004 CG ASP A 149 44.140 -14.273 25.808 1.00 35.47 C +ATOM 1005 OD1 ASP A 149 43.059 -14.777 26.177 1.00 33.81 O +ATOM 1006 OD2 ASP A 149 45.111 -14.138 26.590 1.00 34.98 O +ATOM 1007 N THR A 150 41.110 -15.288 23.264 1.00 40.18 N +ATOM 1008 CA THR A 150 39.671 -15.195 23.381 1.00 43.62 C +ATOM 1009 C THR A 150 39.155 -14.782 24.743 1.00 43.20 C +ATOM 1010 O THR A 150 38.316 -13.871 24.833 1.00 40.54 O +ATOM 1011 CB THR A 150 38.981 -16.509 22.947 1.00 43.66 C +ATOM 1012 OG1 THR A 150 39.388 -16.844 21.617 1.00 45.03 O +ATOM 1013 CG2 THR A 150 37.468 -16.334 22.960 1.00 45.43 C +ATOM 1014 N GLU A 151 39.601 -15.436 25.809 1.00 42.72 N +ATOM 1015 CA GLU A 151 39.131 -15.105 27.150 1.00 46.05 C +ATOM 1016 C GLU A 151 39.440 -13.667 27.529 1.00 40.65 C +ATOM 1017 O GLU A 151 38.594 -12.987 28.116 1.00 33.92 O +ATOM 1018 CB GLU A 151 39.690 -16.079 28.185 1.00 48.16 C +ATOM 1019 CG GLU A 151 39.122 -17.488 28.063 1.00 52.12 C +ATOM 1020 CD GLU A 151 37.707 -17.591 28.596 1.00 55.48 C +ATOM 1021 OE1 GLU A 151 36.902 -18.364 28.033 1.00 55.84 O +ATOM 1022 OE2 GLU A 151 37.394 -16.895 29.585 1.00 57.70 O +ATOM 1023 N GLU A 152 40.639 -13.196 27.198 1.00 34.00 N +ATOM 1024 CA GLU A 152 41.014 -11.818 27.532 1.00 34.13 C +ATOM 1025 C GLU A 152 40.203 -10.835 26.696 1.00 34.62 C +ATOM 1026 O GLU A 152 39.809 -9.773 27.184 1.00 32.61 O +ATOM 1027 CB GLU A 152 42.505 -11.601 27.373 1.00 32.52 C +ATOM 1028 CG GLU A 152 43.037 -10.278 27.861 1.00 32.75 C +ATOM 1029 CD GLU A 152 42.748 -9.990 29.320 1.00 33.54 C +ATOM 1030 OE1 GLU A 152 42.485 -10.926 30.102 1.00 32.63 O +ATOM 1031 OE2 GLU A 152 42.784 -8.796 29.690 1.00 35.03 O +ATOM 1032 N ALA A 153 39.940 -11.202 25.441 1.00 28.39 N +ATOM 1033 CA ALA A 153 39.141 -10.347 24.565 1.00 30.89 C +ATOM 1034 C ALA A 153 37.738 -10.169 25.163 1.00 27.35 C +ATOM 1035 O ALA A 153 37.200 -9.072 25.201 1.00 25.09 O +ATOM 1036 CB ALA A 153 39.024 -10.947 23.175 1.00 29.91 C +ATOM 1037 N LYS A 154 37.174 -11.278 25.616 1.00 30.00 N +ATOM 1038 CA LYS A 154 35.846 -11.279 26.214 1.00 37.53 C +ATOM 1039 C LYS A 154 35.820 -10.431 27.481 1.00 35.28 C +ATOM 1040 O LYS A 154 34.877 -9.680 27.722 1.00 35.30 O +ATOM 1041 CB LYS A 154 35.408 -12.713 26.524 1.00 37.70 C +ATOM 1042 CG LYS A 154 33.992 -12.824 27.048 1.00 41.06 C +ATOM 1043 CD LYS A 154 33.503 -14.261 27.062 1.00 42.27 C +ATOM 1044 CE LYS A 154 34.139 -15.054 28.191 1.00 44.79 C +ATOM 1045 NZ LYS A 154 33.318 -16.248 28.547 1.00 46.32 N +ATOM 1046 N LYS A 155 36.875 -10.545 28.282 1.00 35.47 N +ATOM 1047 CA LYS A 155 36.978 -9.775 29.516 1.00 38.69 C +ATOM 1048 C LYS A 155 36.981 -8.278 29.230 1.00 38.93 C +ATOM 1049 O LYS A 155 36.260 -7.525 29.884 1.00 35.83 O +ATOM 1050 CB LYS A 155 38.228 -10.170 30.302 1.00 40.77 C +ATOM 1051 CG LYS A 155 38.527 -9.274 31.490 1.00 41.90 C +ATOM 1052 CD LYS A 155 39.283 -10.029 32.579 1.00 43.14 C +ATOM 1053 CE LYS A 155 39.380 -9.184 33.843 1.00 41.96 C +ATOM 1054 NZ LYS A 155 39.838 -7.797 33.533 1.00 41.10 N +ATOM 1055 N GLN A 156 37.788 -7.858 28.262 1.00 31.53 N +ATOM 1056 CA GLN A 156 37.890 -6.455 27.889 1.00 37.19 C +ATOM 1057 C GLN A 156 36.554 -5.920 27.389 1.00 37.14 C +ATOM 1058 O GLN A 156 36.123 -4.832 27.772 1.00 39.56 O +ATOM 1059 CB GLN A 156 38.982 -6.252 26.831 1.00 38.84 C +ATOM 1060 CG GLN A 156 40.381 -6.533 27.351 1.00 42.57 C +ATOM 1061 CD GLN A 156 41.421 -6.693 26.269 1.00 43.78 C +ATOM 1062 OE1 GLN A 156 41.307 -7.546 25.385 1.00 46.04 O +ATOM 1063 NE2 GLN A 156 42.465 -5.874 26.324 1.00 43.76 N +ATOM 1064 N ILE A 157 35.887 -6.695 26.548 1.00 31.30 N +ATOM 1065 CA ILE A 157 34.576 -6.326 26.030 1.00 32.82 C +ATOM 1066 C ILE A 157 33.567 -6.189 27.169 1.00 32.44 C +ATOM 1067 O ILE A 157 32.867 -5.184 27.277 1.00 34.00 O +ATOM 1068 CB ILE A 157 34.069 -7.378 25.026 1.00 31.24 C +ATOM 1069 CG1 ILE A 157 34.865 -7.301 23.722 1.00 31.30 C +ATOM 1070 CG2 ILE A 157 32.582 -7.202 24.770 1.00 32.17 C +ATOM 1071 CD1 ILE A 157 34.579 -8.437 22.761 1.00 29.52 C +ATOM 1072 N ASN A 158 33.493 -7.207 28.022 1.00 29.88 N +ATOM 1073 CA ASN A 158 32.567 -7.193 29.146 1.00 33.11 C +ATOM 1074 C ASN A 158 32.895 -6.099 30.151 1.00 34.10 C +ATOM 1075 O ASN A 158 31.977 -5.492 30.710 1.00 31.31 O +ATOM 1076 CB ASN A 158 32.498 -8.561 29.823 1.00 32.28 C +ATOM 1077 CG ASN A 158 31.842 -9.599 28.925 1.00 33.78 C +ATOM 1078 OD1 ASN A 158 31.157 -9.245 27.960 1.00 34.43 O +ATOM 1079 ND2 ASN A 158 32.042 -10.870 29.233 1.00 30.70 N +ATOM 1080 N ASP A 159 34.174 -5.829 30.379 1.00 33.60 N +ATOM 1081 CA ASP A 159 34.579 -4.781 31.305 1.00 37.20 C +ATOM 1082 C ASP A 159 34.123 -3.412 30.787 1.00 38.74 C +ATOM 1083 O ASP A 159 33.796 -2.525 31.574 1.00 36.32 O +ATOM 1084 CB ASP A 159 36.090 -4.776 31.522 1.00 37.82 C +ATOM 1085 CG ASP A 159 36.563 -5.948 32.363 1.00 37.88 C +ATOM 1086 OD1 ASP A 159 35.717 -6.605 33.000 1.00 36.61 O +ATOM 1087 OD2 ASP A 159 37.786 -6.207 32.381 1.00 39.17 O +ATOM 1088 N TYR A 160 34.118 -3.279 29.470 1.00 36.52 N +ATOM 1089 CA TYR A 160 33.709 -2.062 28.788 1.00 36.80 C +ATOM 1090 C TYR A 160 32.236 -1.765 29.075 1.00 39.65 C +ATOM 1091 O TYR A 160 31.864 -0.659 29.452 1.00 40.37 O +ATOM 1092 CB TYR A 160 33.911 -2.211 27.272 1.00 36.95 C +ATOM 1093 CG TYR A 160 33.086 -1.239 26.456 1.00 35.99 C +ATOM 1094 CD1 TYR A 160 33.450 0.100 26.359 1.00 37.37 C +ATOM 1095 CD2 TYR A 160 31.948 -1.660 25.787 1.00 37.80 C +ATOM 1096 CE1 TYR A 160 32.696 0.989 25.612 1.00 37.02 C +ATOM 1097 CE2 TYR A 160 31.185 -0.780 25.040 1.00 36.96 C +ATOM 1098 CZ TYR A 160 31.566 0.544 24.960 1.00 40.45 C +ATOM 1099 OH TYR A 160 30.805 1.414 24.213 1.00 40.97 O +ATOM 1100 N VAL A 161 31.411 -2.796 28.914 1.00 35.91 N +ATOM 1101 CA VAL A 161 29.983 -2.659 29.179 1.00 36.19 C +ATOM 1102 C VAL A 161 29.762 -2.366 30.665 1.00 39.90 C +ATOM 1103 O VAL A 161 29.127 -1.367 30.990 1.00 42.31 O +ATOM 1104 CB VAL A 161 29.187 -3.894 28.755 1.00 35.34 C +ATOM 1105 CG1 VAL A 161 27.699 -3.714 29.029 1.00 34.89 C +ATOM 1106 CG2 VAL A 161 29.416 -4.190 27.273 1.00 35.93 C +ATOM 1107 N GLU A 162 30.307 -3.205 31.538 1.00 44.18 N +ATOM 1108 CA GLU A 162 30.163 -3.036 32.976 1.00 45.87 C +ATOM 1109 C GLU A 162 30.490 -1.608 33.401 1.00 44.53 C +ATOM 1110 O GLU A 162 29.706 -0.966 34.100 1.00 46.99 O +ATOM 1111 CB GLU A 162 31.027 -4.031 33.755 1.00 47.99 C +ATOM 1112 CG GLU A 162 30.700 -4.091 35.240 1.00 50.96 C +ATOM 1113 CD GLU A 162 31.544 -5.073 36.020 1.00 53.30 C +ATOM 1114 OE1 GLU A 162 31.597 -6.266 35.647 1.00 53.92 O +ATOM 1115 OE2 GLU A 162 32.167 -4.666 37.029 1.00 54.26 O +ATOM 1116 N LYS A 163 31.637 -1.113 32.971 1.00 37.70 N +ATOM 1117 CA LYS A 163 32.087 0.228 33.276 1.00 47.96 C +ATOM 1118 C LYS A 163 31.132 1.287 32.733 1.00 47.89 C +ATOM 1119 O LYS A 163 30.890 2.299 33.387 1.00 46.56 O +ATOM 1120 CB LYS A 163 33.492 0.466 32.711 1.00 47.67 C +ATOM 1121 CG LYS A 163 33.956 1.913 32.781 1.00 50.47 C +ATOM 1122 CD LYS A 163 35.096 2.164 31.807 1.00 52.25 C +ATOM 1123 CE LYS A 163 35.885 3.407 32.171 1.00 53.42 C +ATOM 1124 NZ LYS A 163 37.233 3.407 31.536 1.00 54.87 N +ATOM 1125 N GLY A 164 30.591 1.063 31.543 1.00 53.36 N +ATOM 1126 CA GLY A 164 29.681 2.014 30.922 1.00 48.26 C +ATOM 1127 C GLY A 164 28.329 2.071 31.608 1.00 45.95 C +ATOM 1128 O GLY A 164 27.631 3.090 31.523 1.00 45.26 O +ATOM 1129 N THR A 165 27.940 0.985 32.271 1.00 41.11 N +ATOM 1130 CA THR A 165 26.656 0.937 32.959 1.00 43.04 C +ATOM 1131 C THR A 165 26.858 0.995 34.476 1.00 41.07 C +ATOM 1132 O THR A 165 25.971 0.661 35.246 1.00 38.15 O +ATOM 1133 CB THR A 165 25.857 -0.326 32.604 1.00 43.10 C +ATOM 1134 OG1 THR A 165 26.553 -1.477 33.093 1.00 43.85 O +ATOM 1135 CG2 THR A 165 25.685 -0.449 31.095 1.00 42.86 C +ATOM 1136 N GLN A 166 28.055 1.400 34.884 1.00 43.00 N +ATOM 1137 CA GLN A 166 28.403 1.494 36.286 1.00 51.34 C +ATOM 1138 C GLN A 166 28.024 0.238 37.059 1.00 51.04 C +ATOM 1139 O GLN A 166 27.590 0.345 38.208 1.00 49.60 O +ATOM 1140 CB GLN A 166 27.731 2.709 36.941 1.00 52.78 C +ATOM 1141 CG GLN A 166 28.144 4.041 36.333 1.00 54.88 C +ATOM 1142 CD GLN A 166 29.635 4.289 36.456 1.00 56.62 C +ATOM 1143 OE1 GLN A 166 30.069 5.368 36.862 1.00 57.32 O +ATOM 1144 NE2 GLN A 166 30.429 3.283 36.104 1.00 56.46 N +ATOM 1145 N GLY A 167 28.166 -0.931 36.449 1.00 42.35 N +ATOM 1146 CA GLY A 167 27.867 -2.182 37.101 1.00 40.69 C +ATOM 1147 C GLY A 167 26.493 -2.753 36.903 1.00 36.85 C +ATOM 1148 O GLY A 167 26.174 -3.787 37.525 1.00 38.49 O +ATOM 1149 N LYS A 168 25.652 -2.165 36.057 1.00 42.54 N +ATOM 1150 CA LYS A 168 24.302 -2.706 35.862 1.00 42.93 C +ATOM 1151 C LYS A 168 24.290 -3.873 34.890 1.00 40.12 C +ATOM 1152 O LYS A 168 23.467 -4.787 35.009 1.00 35.27 O +ATOM 1153 CB LYS A 168 23.321 -1.623 35.433 1.00 46.24 C +ATOM 1154 CG LYS A 168 21.861 -2.065 35.458 1.00 51.49 C +ATOM 1155 CD LYS A 168 21.431 -2.495 36.850 1.00 55.11 C +ATOM 1156 CE LYS A 168 19.917 -2.526 36.991 1.00 57.29 C +ATOM 1157 NZ LYS A 168 19.318 -3.710 36.310 1.00 57.74 N +ATOM 1158 N ILE A 169 25.200 -3.861 33.925 1.00 41.06 N +ATOM 1159 CA ILE A 169 25.291 -4.946 32.945 1.00 37.28 C +ATOM 1160 C ILE A 169 26.658 -5.617 33.053 1.00 36.96 C +ATOM 1161 O ILE A 169 27.668 -5.014 32.681 1.00 33.81 O +ATOM 1162 CB ILE A 169 25.090 -4.428 31.511 1.00 38.45 C +ATOM 1163 CG1 ILE A 169 23.670 -3.890 31.316 1.00 37.18 C +ATOM 1164 CG2 ILE A 169 25.374 -5.537 30.503 1.00 37.23 C +ATOM 1165 CD1 ILE A 169 23.472 -3.178 29.992 1.00 37.57 C +ATOM 1166 N VAL A 170 26.703 -6.834 33.578 1.00 37.43 N +ATOM 1167 CA VAL A 170 27.964 -7.545 33.735 1.00 39.90 C +ATOM 1168 C VAL A 170 27.992 -8.850 32.944 1.00 39.49 C +ATOM 1169 O VAL A 170 26.966 -9.477 32.707 1.00 34.41 O +ATOM 1170 CB VAL A 170 28.252 -7.877 35.214 1.00 40.31 C +ATOM 1171 CG1 VAL A 170 28.491 -6.616 36.024 1.00 41.99 C +ATOM 1172 CG2 VAL A 170 27.102 -8.689 35.797 1.00 39.69 C +ATOM 1173 N ASP A 171 29.194 -9.264 32.559 1.00 44.40 N +ATOM 1174 CA ASP A 171 29.375 -10.504 31.811 1.00 47.09 C +ATOM 1175 C ASP A 171 28.351 -10.632 30.690 1.00 44.18 C +ATOM 1176 O ASP A 171 27.639 -11.632 30.599 1.00 47.39 O +ATOM 1177 CB ASP A 171 29.276 -11.698 32.763 1.00 49.66 C +ATOM 1178 CG ASP A 171 30.174 -12.852 32.370 1.00 51.83 C +ATOM 1179 OD1 ASP A 171 31.331 -12.608 31.961 1.00 53.32 O +ATOM 1180 OD2 ASP A 171 29.730 -14.016 32.470 1.00 52.46 O +ATOM 1181 N LEU A 172 28.273 -9.619 29.833 1.00 37.33 N +ATOM 1182 CA LEU A 172 27.337 -9.616 28.718 1.00 34.45 C +ATOM 1183 C LEU A 172 27.650 -10.729 27.722 1.00 34.32 C +ATOM 1184 O LEU A 172 26.833 -11.625 27.508 1.00 34.71 O +ATOM 1185 CB LEU A 172 27.365 -8.264 28.000 1.00 35.04 C +ATOM 1186 CG LEU A 172 26.482 -8.143 26.754 1.00 35.77 C +ATOM 1187 CD1 LEU A 172 25.011 -8.291 27.113 1.00 35.64 C +ATOM 1188 CD2 LEU A 172 26.732 -6.825 26.043 1.00 36.04 C +ATOM 1189 N VAL A 173 28.833 -10.667 27.115 1.00 34.78 N +ATOM 1190 CA VAL A 173 29.227 -11.690 26.140 1.00 32.50 C +ATOM 1191 C VAL A 173 29.658 -12.962 26.860 1.00 34.96 C +ATOM 1192 O VAL A 173 30.607 -12.928 27.643 1.00 39.81 O +ATOM 1193 CB VAL A 173 30.380 -11.213 25.246 1.00 33.72 C +ATOM 1194 CG1 VAL A 173 30.757 -12.298 24.233 1.00 32.89 C +ATOM 1195 CG2 VAL A 173 30.020 -9.921 24.535 1.00 32.34 C +ATOM 1196 N LYS A 174 28.982 -14.070 26.583 1.00 43.36 N +ATOM 1197 CA LYS A 174 29.302 -15.339 27.220 1.00 45.04 C +ATOM 1198 C LYS A 174 30.329 -16.140 26.435 1.00 47.82 C +ATOM 1199 O LYS A 174 30.984 -17.025 26.999 1.00 46.27 O +ATOM 1200 CB LYS A 174 28.033 -16.164 27.443 1.00 45.95 C +ATOM 1201 CG LYS A 174 27.053 -15.524 28.420 1.00 47.57 C +ATOM 1202 CD LYS A 174 27.700 -15.338 29.787 1.00 47.73 C +ATOM 1203 CE LYS A 174 26.711 -14.797 30.804 1.00 48.85 C +ATOM 1204 NZ LYS A 174 26.059 -13.542 30.339 1.00 48.28 N +ATOM 1205 N GLU A 175 30.481 -15.850 25.144 1.00 50.90 N +ATOM 1206 CA GLU A 175 31.458 -16.583 24.340 1.00 55.31 C +ATOM 1207 C GLU A 175 31.729 -15.925 23.000 1.00 52.99 C +ATOM 1208 O GLU A 175 30.957 -15.098 22.519 1.00 56.23 O +ATOM 1209 CB GLU A 175 31.036 -18.038 24.179 1.00 57.90 C +ATOM 1210 CG GLU A 175 29.652 -18.262 23.619 1.00 60.55 C +ATOM 1211 CD GLU A 175 29.302 -19.727 23.461 1.00 64.86 C +ATOM 1212 OE1 GLU A 175 29.534 -20.510 24.409 1.00 66.17 O +ATOM 1213 OE2 GLU A 175 28.790 -20.112 22.386 1.00 66.54 O +ATOM 1214 N LEU A 176 32.856 -16.289 22.392 1.00 49.52 N +ATOM 1215 CA LEU A 176 33.266 -15.748 21.109 1.00 46.23 C +ATOM 1216 C LEU A 176 33.616 -16.864 20.124 1.00 50.35 C +ATOM 1217 O LEU A 176 34.045 -17.942 20.532 1.00 47.40 O +ATOM 1218 CB LEU A 176 34.487 -14.836 21.273 1.00 45.28 C +ATOM 1219 CG LEU A 176 34.262 -13.515 22.010 1.00 44.03 C +ATOM 1220 CD1 LEU A 176 35.558 -12.721 22.094 1.00 42.58 C +ATOM 1221 CD2 LEU A 176 33.176 -12.702 21.321 1.00 41.94 C +ATOM 1222 N ASP A 177 33.411 -16.590 18.840 1.00 48.89 N +ATOM 1223 CA ASP A 177 33.742 -17.579 17.807 1.00 54.24 C +ATOM 1224 C ASP A 177 35.272 -17.699 17.758 1.00 54.18 C +ATOM 1225 O ASP A 177 35.967 -16.749 18.136 1.00 41.79 O +ATOM 1226 CB ASP A 177 33.184 -17.186 16.455 1.00 54.72 C +ATOM 1227 CG ASP A 177 31.710 -17.435 16.249 1.00 57.88 C +ATOM 1228 OD1 ASP A 177 31.202 -18.511 16.641 1.00 59.06 O +ATOM 1229 OD2 ASP A 177 31.019 -16.557 15.679 1.00 57.30 O +ATOM 1230 N ARG A 178 35.765 -18.845 17.324 1.00 52.36 N +ATOM 1231 CA ARG A 178 37.200 -19.078 17.249 1.00 54.97 C +ATOM 1232 C ARG A 178 37.900 -18.056 16.367 1.00 47.57 C +ATOM 1233 O ARG A 178 39.001 -17.597 16.676 1.00 52.44 O +ATOM 1234 CB ARG A 178 37.469 -20.484 16.678 1.00 57.98 C +ATOM 1235 CG ARG A 178 38.931 -20.727 16.323 1.00 60.24 C +ATOM 1236 CD ARG A 178 39.695 -21.306 17.498 1.00 62.37 C +ATOM 1237 NE ARG A 178 41.030 -21.771 17.137 1.00 62.53 N +ATOM 1238 CZ ARG A 178 41.806 -22.477 17.958 1.00 63.32 C +ATOM 1239 NH1 ARG A 178 41.369 -22.792 19.173 1.00 65.08 N +ATOM 1240 NH2 ARG A 178 43.009 -22.869 17.573 1.00 62.92 N +ATOM 1241 N ASP A 179 37.267 -17.708 15.253 1.00 45.04 N +ATOM 1242 CA ASP A 179 37.870 -16.799 14.288 1.00 43.71 C +ATOM 1243 C ASP A 179 37.366 -15.376 14.394 1.00 39.99 C +ATOM 1244 O ASP A 179 37.397 -14.622 13.415 1.00 38.54 O +ATOM 1245 CB ASP A 179 37.670 -17.350 12.878 1.00 46.95 C +ATOM 1246 CG ASP A 179 36.249 -17.232 12.368 1.00 51.55 C +ATOM 1247 OD1 ASP A 179 35.292 -17.325 13.169 1.00 52.52 O +ATOM 1248 OD2 ASP A 179 36.092 -17.043 11.138 1.00 52.78 O +ATOM 1249 N THR A 180 36.924 -14.977 15.582 1.00 38.17 N +ATOM 1250 CA THR A 180 36.425 -13.624 15.785 1.00 34.16 C +ATOM 1251 C THR A 180 37.508 -12.589 15.509 1.00 31.64 C +ATOM 1252 O THR A 180 38.580 -12.626 16.115 1.00 32.76 O +ATOM 1253 CB THR A 180 35.926 -13.411 17.232 1.00 35.17 C +ATOM 1254 OG1 THR A 180 34.994 -14.431 17.581 1.00 36.54 O +ATOM 1255 CG2 THR A 180 35.283 -12.041 17.353 1.00 34.09 C +ATOM 1256 N VAL A 181 37.213 -11.647 14.629 1.00 28.09 N +ATOM 1257 CA VAL A 181 38.129 -10.573 14.300 1.00 29.30 C +ATOM 1258 C VAL A 181 37.461 -9.212 14.475 1.00 27.22 C +ATOM 1259 O VAL A 181 38.135 -8.187 14.472 1.00 27.71 O +ATOM 1260 CB VAL A 181 38.668 -10.688 12.863 1.00 32.14 C +ATOM 1261 CG1 VAL A 181 39.535 -11.933 12.716 1.00 32.25 C +ATOM 1262 CG2 VAL A 181 37.530 -10.718 11.854 1.00 33.82 C +ATOM 1263 N PHE A 182 36.141 -9.220 14.612 1.00 30.85 N +ATOM 1264 CA PHE A 182 35.368 -7.978 14.749 1.00 27.34 C +ATOM 1265 C PHE A 182 34.094 -8.223 15.538 1.00 30.14 C +ATOM 1266 O PHE A 182 33.285 -9.086 15.183 1.00 28.85 O +ATOM 1267 CB PHE A 182 35.081 -7.458 13.343 1.00 28.92 C +ATOM 1268 CG PHE A 182 34.295 -6.196 13.212 1.00 28.51 C +ATOM 1269 CD1 PHE A 182 34.272 -5.249 14.222 1.00 27.59 C +ATOM 1270 CD2 PHE A 182 33.578 -5.934 12.051 1.00 28.27 C +ATOM 1271 CE1 PHE A 182 33.547 -4.081 14.087 1.00 29.21 C +ATOM 1272 CE2 PHE A 182 32.850 -4.770 11.908 1.00 27.07 C +ATOM 1273 CZ PHE A 182 32.833 -3.840 12.930 1.00 28.41 C +ATOM 1274 N ALA A 183 33.896 -7.480 16.632 1.00 32.40 N +ATOM 1275 CA ALA A 183 32.709 -7.652 17.463 1.00 28.46 C +ATOM 1276 C ALA A 183 32.033 -6.332 17.808 1.00 28.71 C +ATOM 1277 O ALA A 183 32.683 -5.306 17.991 1.00 28.00 O +ATOM 1278 CB ALA A 183 33.067 -8.398 18.746 1.00 29.36 C +ATOM 1279 N LEU A 184 30.705 -6.368 17.899 1.00 30.75 N +ATOM 1280 CA LEU A 184 29.926 -5.177 18.220 1.00 29.47 C +ATOM 1281 C LEU A 184 29.062 -5.395 19.457 1.00 32.32 C +ATOM 1282 O LEU A 184 28.378 -6.409 19.593 1.00 23.89 O +ATOM 1283 CB LEU A 184 29.045 -4.772 17.038 1.00 32.23 C +ATOM 1284 CG LEU A 184 28.159 -3.541 17.213 1.00 32.39 C +ATOM 1285 CD1 LEU A 184 27.705 -3.008 15.859 1.00 33.57 C +ATOM 1286 CD2 LEU A 184 26.940 -3.873 18.070 1.00 34.70 C +ATOM 1287 N VAL A 185 29.106 -4.419 20.363 1.00 31.28 N +ATOM 1288 CA VAL A 185 28.302 -4.507 21.583 1.00 35.34 C +ATOM 1289 C VAL A 185 27.439 -3.251 21.698 1.00 32.57 C +ATOM 1290 O VAL A 185 27.931 -2.134 21.573 1.00 33.11 O +ATOM 1291 CB VAL A 185 29.133 -4.724 22.844 1.00 35.56 C +ATOM 1292 CG1 VAL A 185 28.337 -4.350 24.087 1.00 39.52 C +ATOM 1293 CG2 VAL A 185 29.572 -6.187 22.939 1.00 37.27 C +ATOM 1294 N ASN A 186 26.146 -3.470 21.886 1.00 31.93 N +ATOM 1295 CA ASN A 186 25.199 -2.346 21.980 1.00 28.82 C +ATOM 1296 C ASN A 186 24.377 -2.487 23.250 1.00 22.02 C +ATOM 1297 O ASN A 186 23.624 -3.445 23.409 1.00 25.15 O +ATOM 1298 CB ASN A 186 24.329 -2.354 20.732 1.00 31.22 C +ATOM 1299 CG ASN A 186 23.399 -1.164 20.624 1.00 33.01 C +ATOM 1300 OD1 ASN A 186 22.252 -1.255 21.069 1.00 30.96 O +ATOM 1301 ND2 ASN A 186 23.898 -0.091 20.037 1.00 30.35 N +ATOM 1302 N TYR A 187 24.552 -1.528 24.168 1.00 27.52 N +ATOM 1303 CA TYR A 187 23.832 -1.586 25.432 1.00 32.02 C +ATOM 1304 C TYR A 187 23.044 -0.321 25.732 1.00 29.32 C +ATOM 1305 O TYR A 187 23.335 0.781 25.260 1.00 27.16 O +ATOM 1306 CB TYR A 187 24.804 -1.876 26.590 1.00 28.89 C +ATOM 1307 CG TYR A 187 25.751 -0.737 26.889 1.00 34.68 C +ATOM 1308 CD1 TYR A 187 25.387 0.274 27.773 1.00 36.03 C +ATOM 1309 CD2 TYR A 187 27.006 -0.665 26.304 1.00 36.82 C +ATOM 1310 CE1 TYR A 187 26.245 1.316 28.055 1.00 35.41 C +ATOM 1311 CE2 TYR A 187 27.875 0.375 26.577 1.00 36.86 C +ATOM 1312 CZ TYR A 187 27.482 1.366 27.458 1.00 40.76 C +ATOM 1313 OH TYR A 187 28.333 2.410 27.742 1.00 37.63 O +ATOM 1314 N ILE A 188 22.003 -0.495 26.550 1.00 29.54 N +ATOM 1315 CA ILE A 188 21.175 0.659 26.930 1.00 30.88 C +ATOM 1316 C ILE A 188 20.452 0.389 28.232 1.00 28.69 C +ATOM 1317 O ILE A 188 19.875 -0.674 28.469 1.00 27.45 O +ATOM 1318 CB ILE A 188 20.245 1.092 25.804 1.00 32.69 C +ATOM 1319 CG1 ILE A 188 19.563 2.434 26.149 1.00 32.50 C +ATOM 1320 CG2 ILE A 188 19.223 0.020 25.491 1.00 32.40 C +ATOM 1321 CD1 ILE A 188 18.976 3.116 24.926 1.00 31.89 C +ATOM 1322 N PHE A 189 20.536 1.367 29.139 1.00 36.01 N +ATOM 1323 CA PHE A 189 19.895 1.230 30.444 1.00 38.31 C +ATOM 1324 C PHE A 189 19.059 2.474 30.726 1.00 33.66 C +ATOM 1325 O PHE A 189 19.566 3.590 30.645 1.00 28.58 O +ATOM 1326 CB PHE A 189 20.910 0.980 31.557 1.00 42.13 C +ATOM 1327 CG PHE A 189 20.292 1.096 32.926 1.00 48.00 C +ATOM 1328 CD1 PHE A 189 19.673 0.010 33.507 1.00 50.38 C +ATOM 1329 CD2 PHE A 189 20.323 2.299 33.614 1.00 50.39 C +ATOM 1330 CE1 PHE A 189 19.096 0.111 34.760 1.00 54.16 C +ATOM 1331 CE2 PHE A 189 19.749 2.405 34.867 1.00 52.05 C +ATOM 1332 CZ PHE A 189 19.134 1.309 35.442 1.00 53.22 C +ATOM 1333 N PHE A 190 17.777 2.255 31.027 1.00 31.84 N +ATOM 1334 CA PHE A 190 16.884 3.369 31.298 1.00 35.13 C +ATOM 1335 C PHE A 190 16.125 3.238 32.611 1.00 25.23 C +ATOM 1336 O PHE A 190 15.467 2.245 32.891 1.00 24.65 O +ATOM 1337 CB PHE A 190 15.874 3.536 30.152 1.00 34.87 C +ATOM 1338 CG PHE A 190 14.901 4.662 30.355 1.00 37.01 C +ATOM 1339 CD1 PHE A 190 15.329 5.978 30.348 1.00 38.83 C +ATOM 1340 CD2 PHE A 190 13.553 4.406 30.547 1.00 37.38 C +ATOM 1341 CE1 PHE A 190 14.435 7.016 30.533 1.00 39.68 C +ATOM 1342 CE2 PHE A 190 12.654 5.437 30.731 1.00 37.55 C +ATOM 1343 CZ PHE A 190 13.095 6.747 30.724 1.00 38.09 C +ATOM 1344 N LYS A 191 16.205 4.284 33.410 1.00 36.51 N +ATOM 1345 CA LYS A 191 15.505 4.393 34.682 1.00 40.97 C +ATOM 1346 C LYS A 191 14.985 5.841 34.757 1.00 38.89 C +ATOM 1347 O LYS A 191 15.678 6.716 35.253 1.00 40.98 O +ATOM 1348 CB LYS A 191 16.385 4.089 35.877 1.00 42.95 C +ATOM 1349 CG LYS A 191 15.663 4.214 37.216 1.00 47.09 C +ATOM 1350 CD LYS A 191 16.618 3.982 38.376 1.00 49.07 C +ATOM 1351 CE LYS A 191 15.934 4.247 39.710 1.00 49.43 C +ATOM 1352 NZ LYS A 191 16.894 4.143 40.846 1.00 50.02 N +ATOM 1353 N GLY A 192 13.816 6.063 34.173 1.00 37.38 N +ATOM 1354 CA GLY A 192 13.248 7.390 34.090 1.00 40.89 C +ATOM 1355 C GLY A 192 12.502 7.854 35.320 1.00 35.85 C +ATOM 1356 O GLY A 192 12.088 7.081 36.182 1.00 35.57 O +ATOM 1357 N LYS A 193 12.323 9.170 35.394 1.00 38.28 N +ATOM 1358 CA LYS A 193 11.599 9.802 36.495 1.00 39.79 C +ATOM 1359 C LYS A 193 10.256 10.303 35.961 1.00 35.28 C +ATOM 1360 O LYS A 193 10.242 11.026 34.961 1.00 29.57 O +ATOM 1361 CB LYS A 193 12.401 10.974 37.060 1.00 43.23 C +ATOM 1362 CG LYS A 193 13.715 10.590 37.712 1.00 47.63 C +ATOM 1363 CD LYS A 193 14.500 11.812 38.167 1.00 50.39 C +ATOM 1364 CE LYS A 193 15.044 12.603 36.990 1.00 51.15 C +ATOM 1365 NZ LYS A 193 15.986 13.671 37.434 1.00 51.82 N +ATOM 1366 N TRP A 194 9.159 9.914 36.597 1.00 30.35 N +ATOM 1367 CA TRP A 194 7.844 10.358 36.133 1.00 27.01 C +ATOM 1368 C TRP A 194 7.653 11.848 36.419 1.00 29.87 C +ATOM 1369 O TRP A 194 8.090 12.332 37.465 1.00 33.90 O +ATOM 1370 CB TRP A 194 6.728 9.578 36.820 1.00 26.25 C +ATOM 1371 CG TRP A 194 6.703 8.107 36.557 1.00 25.76 C +ATOM 1372 CD1 TRP A 194 6.796 7.107 37.486 1.00 23.77 C +ATOM 1373 CD2 TRP A 194 6.563 7.462 35.287 1.00 25.91 C +ATOM 1374 NE1 TRP A 194 6.727 5.886 36.868 1.00 25.71 N +ATOM 1375 CE2 TRP A 194 6.588 6.072 35.517 1.00 27.50 C +ATOM 1376 CE3 TRP A 194 6.426 7.927 33.973 1.00 27.10 C +ATOM 1377 CZ2 TRP A 194 6.475 5.144 34.484 1.00 26.84 C +ATOM 1378 CZ3 TRP A 194 6.318 7.002 32.950 1.00 27.97 C +ATOM 1379 CH2 TRP A 194 6.343 5.629 33.212 1.00 27.52 C +ATOM 1380 N GLU A 195 6.978 12.549 35.508 1.00 33.48 N +ATOM 1381 CA GLU A 195 6.673 13.965 35.768 1.00 31.92 C +ATOM 1382 C GLU A 195 5.648 13.998 36.916 1.00 30.63 C +ATOM 1383 O GLU A 195 5.616 14.914 37.716 1.00 26.29 O +ATOM 1384 CB GLU A 195 6.107 14.670 34.552 1.00 30.99 C +ATOM 1385 CG GLU A 195 7.115 14.964 33.459 1.00 34.35 C +ATOM 1386 CD GLU A 195 6.678 16.047 32.496 1.00 34.87 C +ATOM 1387 OE1 GLU A 195 5.487 16.408 32.462 1.00 32.93 O +ATOM 1388 OE2 GLU A 195 7.549 16.550 31.750 1.00 38.18 O +ATOM 1389 N ARG A 196 4.830 12.953 36.945 1.00 29.72 N +ATOM 1390 CA ARG A 196 3.795 12.791 37.970 1.00 31.82 C +ATOM 1391 C ARG A 196 3.975 11.416 38.609 1.00 28.49 C +ATOM 1392 O ARG A 196 3.503 10.403 38.106 1.00 22.64 O +ATOM 1393 CB ARG A 196 2.415 12.983 37.345 1.00 33.07 C +ATOM 1394 CG ARG A 196 2.381 14.217 36.441 1.00 33.63 C +ATOM 1395 CD ARG A 196 0.965 14.598 36.030 1.00 34.57 C +ATOM 1396 NE ARG A 196 0.981 15.731 35.123 1.00 34.23 N +ATOM 1397 CZ ARG A 196 0.039 16.610 34.865 1.00 32.92 C +ATOM 1398 NH1 ARG A 196 -1.145 16.565 35.463 1.00 34.06 N +ATOM 1399 NH2 ARG A 196 0.291 17.581 33.978 1.00 30.43 N +ATOM 1400 N PRO A 197 4.737 11.378 39.698 1.00 31.82 N +ATOM 1401 CA PRO A 197 5.137 10.162 40.355 1.00 30.24 C +ATOM 1402 C PRO A 197 4.116 9.484 41.236 1.00 28.42 C +ATOM 1403 O PRO A 197 3.114 10.054 41.646 1.00 22.95 O +ATOM 1404 CB PRO A 197 6.333 10.598 41.217 1.00 31.68 C +ATOM 1405 CG PRO A 197 6.014 12.021 41.553 1.00 34.98 C +ATOM 1406 CD PRO A 197 5.365 12.582 40.316 1.00 29.21 C +ATOM 1407 N PHE A 198 4.401 8.212 41.534 1.00 26.56 N +ATOM 1408 CA PHE A 198 3.557 7.402 42.396 1.00 25.88 C +ATOM 1409 C PHE A 198 4.065 7.560 43.841 1.00 30.27 C +ATOM 1410 O PHE A 198 5.219 7.949 44.036 1.00 27.31 O +ATOM 1411 CB PHE A 198 3.647 5.916 42.029 1.00 25.82 C +ATOM 1412 CG PHE A 198 3.008 5.550 40.724 1.00 22.25 C +ATOM 1413 CD1 PHE A 198 1.682 5.158 40.673 1.00 20.28 C +ATOM 1414 CD2 PHE A 198 3.735 5.593 39.542 1.00 21.45 C +ATOM 1415 CE1 PHE A 198 1.088 4.819 39.476 1.00 21.19 C +ATOM 1416 CE2 PHE A 198 3.146 5.255 38.340 1.00 20.40 C +ATOM 1417 CZ PHE A 198 1.822 4.864 38.301 1.00 20.98 C +ATOM 1418 N GLU A 199 3.206 7.263 44.799 1.00 30.17 N +ATOM 1419 CA GLU A 199 3.597 7.342 46.207 1.00 33.70 C +ATOM 1420 C GLU A 199 4.020 5.950 46.678 1.00 25.86 C +ATOM 1421 O GLU A 199 3.245 5.000 46.554 1.00 27.09 O +ATOM 1422 CB GLU A 199 2.446 7.865 47.065 1.00 31.62 C +ATOM 1423 CG GLU A 199 2.126 9.336 46.846 1.00 36.15 C +ATOM 1424 CD GLU A 199 0.965 9.806 47.701 1.00 39.01 C +ATOM 1425 OE1 GLU A 199 0.902 9.399 48.883 1.00 41.66 O +ATOM 1426 OE2 GLU A 199 0.115 10.570 47.200 1.00 40.42 O +ATOM 1427 N VAL A 200 5.230 5.830 47.190 1.00 27.56 N +ATOM 1428 CA VAL A 200 5.741 4.540 47.656 1.00 29.69 C +ATOM 1429 C VAL A 200 4.839 3.882 48.679 1.00 32.13 C +ATOM 1430 O VAL A 200 4.601 2.662 48.654 1.00 29.96 O +ATOM 1431 CB VAL A 200 7.162 4.723 48.228 1.00 32.03 C +ATOM 1432 CG1 VAL A 200 7.742 3.396 48.675 1.00 34.49 C +ATOM 1433 CG2 VAL A 200 8.059 5.389 47.184 1.00 31.64 C +ATOM 1434 N LYS A 201 4.291 4.658 49.614 1.00 33.76 N +ATOM 1435 CA LYS A 201 3.419 4.085 50.640 1.00 34.94 C +ATOM 1436 C LYS A 201 2.213 3.383 50.039 1.00 35.10 C +ATOM 1437 O LYS A 201 1.615 2.527 50.700 1.00 32.70 O +ATOM 1438 CB LYS A 201 2.969 5.145 51.639 1.00 36.73 C +ATOM 1439 CG LYS A 201 1.884 6.067 51.104 1.00 40.80 C +ATOM 1440 CD LYS A 201 1.063 6.660 52.244 1.00 43.84 C +ATOM 1441 CE LYS A 201 0.118 7.735 51.723 1.00 44.01 C +ATOM 1442 NZ LYS A 201 0.875 8.835 51.058 1.00 44.70 N +ATOM 1443 N ASP A 202 1.857 3.713 48.798 1.00 30.78 N +ATOM 1444 CA ASP A 202 0.702 3.108 48.155 1.00 27.11 C +ATOM 1445 C ASP A 202 1.041 1.862 47.354 1.00 25.81 C +ATOM 1446 O ASP A 202 0.138 1.179 46.846 1.00 25.41 O +ATOM 1447 CB ASP A 202 -0.005 4.133 47.256 1.00 31.59 C +ATOM 1448 CG ASP A 202 -0.592 5.272 48.078 1.00 34.41 C +ATOM 1449 OD1 ASP A 202 -1.218 4.970 49.114 1.00 32.92 O +ATOM 1450 OD2 ASP A 202 -0.420 6.439 47.684 1.00 35.49 O +ATOM 1451 N THR A 203 2.322 1.542 47.249 1.00 21.51 N +ATOM 1452 CA THR A 203 2.722 0.324 46.520 1.00 27.23 C +ATOM 1453 C THR A 203 2.517 -0.919 47.384 1.00 30.05 C +ATOM 1454 O THR A 203 3.123 -1.014 48.451 1.00 38.12 O +ATOM 1455 CB THR A 203 4.202 0.426 46.117 1.00 28.12 C +ATOM 1456 OG1 THR A 203 4.349 1.529 45.200 1.00 27.67 O +ATOM 1457 CG2 THR A 203 4.675 -0.853 45.436 1.00 27.08 C +ATOM 1458 N GLU A 204 1.682 -1.858 46.950 1.00 28.39 N +ATOM 1459 CA GLU A 204 1.466 -3.098 47.690 1.00 35.18 C +ATOM 1460 C GLU A 204 1.447 -4.312 46.765 1.00 36.41 C +ATOM 1461 O GLU A 204 1.432 -4.179 45.539 1.00 29.45 O +ATOM 1462 CB GLU A 204 0.230 -3.048 48.563 1.00 38.18 C +ATOM 1463 CG GLU A 204 -1.080 -2.670 47.911 1.00 43.37 C +ATOM 1464 CD GLU A 204 -2.041 -2.018 48.895 1.00 49.39 C +ATOM 1465 OE1 GLU A 204 -1.633 -1.770 50.051 1.00 51.11 O +ATOM 1466 OE2 GLU A 204 -3.205 -1.745 48.534 1.00 50.14 O +ATOM 1467 N GLU A 205 1.479 -5.510 47.346 1.00 36.73 N +ATOM 1468 CA GLU A 205 1.486 -6.750 46.586 1.00 35.80 C +ATOM 1469 C GLU A 205 0.115 -7.055 45.996 1.00 35.20 C +ATOM 1470 O GLU A 205 -0.896 -6.989 46.691 1.00 34.03 O +ATOM 1471 CB GLU A 205 1.944 -7.929 47.451 1.00 39.02 C +ATOM 1472 CG GLU A 205 3.402 -7.890 47.861 1.00 41.52 C +ATOM 1473 CD GLU A 205 4.357 -7.968 46.689 1.00 44.28 C +ATOM 1474 OE1 GLU A 205 4.343 -8.986 45.966 1.00 45.55 O +ATOM 1475 OE2 GLU A 205 5.129 -7.007 46.484 1.00 45.29 O +ATOM 1476 N GLU A 206 0.080 -7.377 44.707 1.00 30.78 N +ATOM 1477 CA GLU A 206 -1.161 -7.691 44.022 1.00 33.05 C +ATOM 1478 C GLU A 206 -0.974 -8.870 43.061 1.00 29.91 C +ATOM 1479 O GLU A 206 0.147 -9.230 42.722 1.00 28.74 O +ATOM 1480 CB GLU A 206 -1.673 -6.498 43.216 1.00 34.90 C +ATOM 1481 CG GLU A 206 -2.107 -5.289 44.023 1.00 39.30 C +ATOM 1482 CD GLU A 206 -2.839 -4.270 43.162 1.00 40.83 C +ATOM 1483 OE1 GLU A 206 -3.454 -4.675 42.151 1.00 40.47 O +ATOM 1484 OE2 GLU A 206 -2.806 -3.071 43.492 1.00 40.56 O +ATOM 1485 N ASP A 207 -2.089 -9.437 42.614 1.00 26.81 N +ATOM 1486 CA ASP A 207 -2.044 -10.551 41.675 1.00 30.65 C +ATOM 1487 C ASP A 207 -1.811 -10.054 40.241 1.00 30.68 C +ATOM 1488 O ASP A 207 -2.267 -8.974 39.880 1.00 26.87 O +ATOM 1489 CB ASP A 207 -3.362 -11.320 41.699 1.00 30.61 C +ATOM 1490 CG ASP A 207 -3.591 -12.108 42.975 1.00 29.61 C +ATOM 1491 OD1 ASP A 207 -2.625 -12.569 43.604 1.00 27.30 O +ATOM 1492 OD2 ASP A 207 -4.774 -12.257 43.333 1.00 32.67 O +ATOM 1493 N PHE A 208 -1.141 -10.862 39.450 1.00 26.86 N +ATOM 1494 CA PHE A 208 -0.851 -10.600 38.049 1.00 30.35 C +ATOM 1495 C PHE A 208 -1.219 -11.876 37.266 1.00 29.80 C +ATOM 1496 O PHE A 208 -0.642 -12.929 37.509 1.00 30.89 O +ATOM 1497 CB PHE A 208 0.620 -10.258 37.826 1.00 29.69 C +ATOM 1498 CG PHE A 208 0.937 -9.752 36.441 1.00 30.92 C +ATOM 1499 CD1 PHE A 208 0.979 -10.616 35.365 1.00 31.56 C +ATOM 1500 CD2 PHE A 208 1.190 -8.407 36.226 1.00 31.63 C +ATOM 1501 CE1 PHE A 208 1.268 -10.155 34.092 1.00 33.20 C +ATOM 1502 CE2 PHE A 208 1.478 -7.934 34.957 1.00 33.38 C +ATOM 1503 CZ PHE A 208 1.520 -8.812 33.890 1.00 32.09 C +ATOM 1504 N HIS A 209 -2.233 -11.791 36.427 1.00 31.10 N +ATOM 1505 CA HIS A 209 -2.749 -12.911 35.677 1.00 31.62 C +ATOM 1506 C HIS A 209 -1.896 -13.313 34.487 1.00 35.95 C +ATOM 1507 O HIS A 209 -1.969 -12.693 33.416 1.00 30.52 O +ATOM 1508 CB HIS A 209 -4.184 -12.590 35.201 1.00 35.12 C +ATOM 1509 CG HIS A 209 -5.126 -12.322 36.335 1.00 38.86 C +ATOM 1510 ND1 HIS A 209 -6.178 -13.154 36.648 1.00 38.98 N +ATOM 1511 CD2 HIS A 209 -5.163 -11.311 37.236 1.00 39.90 C +ATOM 1512 CE1 HIS A 209 -6.828 -12.669 37.692 1.00 38.70 C +ATOM 1513 NE2 HIS A 209 -6.234 -11.551 38.068 1.00 40.63 N +ATOM 1514 N VAL A 210 -1.101 -14.369 34.652 1.00 37.22 N +ATOM 1515 CA VAL A 210 -0.258 -14.850 33.550 1.00 38.75 C +ATOM 1516 C VAL A 210 -1.099 -15.679 32.584 1.00 39.95 C +ATOM 1517 O VAL A 210 -0.917 -15.633 31.372 1.00 42.71 O +ATOM 1518 CB VAL A 210 0.967 -15.623 34.024 1.00 39.32 C +ATOM 1519 CG1 VAL A 210 1.946 -14.681 34.725 1.00 37.44 C +ATOM 1520 CG2 VAL A 210 0.594 -16.778 34.943 1.00 36.52 C +ATOM 1521 N ASP A 211 -2.035 -16.422 33.134 1.00 39.60 N +ATOM 1522 CA ASP A 211 -2.990 -17.252 32.432 1.00 42.07 C +ATOM 1523 C ASP A 211 -4.392 -16.711 32.818 1.00 37.06 C +ATOM 1524 O ASP A 211 -4.473 -15.903 33.743 1.00 37.84 O +ATOM 1525 CB ASP A 211 -2.982 -18.714 32.933 1.00 41.18 C +ATOM 1526 CG ASP A 211 -1.762 -19.520 32.644 1.00 42.98 C +ATOM 1527 OD1 ASP A 211 -0.719 -19.369 33.319 1.00 43.19 O +ATOM 1528 OD2 ASP A 211 -1.792 -20.372 31.711 1.00 51.53 O +ATOM 1529 N GLN A 212 -5.428 -17.211 32.175 1.00 38.22 N +ATOM 1530 CA GLN A 212 -6.785 -16.802 32.543 1.00 40.25 C +ATOM 1531 C GLN A 212 -7.224 -17.548 33.799 1.00 43.45 C +ATOM 1532 O GLN A 212 -8.305 -17.305 34.339 1.00 35.99 O +ATOM 1533 CB GLN A 212 -7.757 -17.002 31.388 1.00 42.52 C +ATOM 1534 CG GLN A 212 -7.573 -15.971 30.277 1.00 46.06 C +ATOM 1535 CD GLN A 212 -8.765 -15.874 29.353 1.00 47.84 C +ATOM 1536 OE1 GLN A 212 -9.909 -15.765 29.803 1.00 49.00 O +ATOM 1537 NE2 GLN A 212 -8.509 -15.908 28.050 1.00 48.35 N +ATOM 1538 N VAL A 213 -6.363 -18.451 34.293 1.00 34.12 N +ATOM 1539 CA VAL A 213 -6.695 -19.186 35.511 1.00 31.61 C +ATOM 1540 C VAL A 213 -5.551 -19.226 36.506 1.00 28.64 C +ATOM 1541 O VAL A 213 -5.643 -19.896 37.550 1.00 32.71 O +ATOM 1542 CB VAL A 213 -7.157 -20.624 35.190 1.00 33.66 C +ATOM 1543 CG1 VAL A 213 -8.308 -20.595 34.184 1.00 31.90 C +ATOM 1544 CG2 VAL A 213 -6.001 -21.460 34.673 1.00 27.80 C +ATOM 1545 N THR A 214 -4.469 -18.524 36.235 1.00 22.12 N +ATOM 1546 CA THR A 214 -3.283 -18.509 37.066 1.00 28.20 C +ATOM 1547 C THR A 214 -2.802 -17.099 37.406 1.00 31.55 C +ATOM 1548 O THR A 214 -2.641 -16.265 36.514 1.00 28.08 O +ATOM 1549 CB THR A 214 -2.119 -19.208 36.312 1.00 29.64 C +ATOM 1550 OG1 THR A 214 -2.601 -20.396 35.696 1.00 26.13 O +ATOM 1551 CG2 THR A 214 -0.983 -19.534 37.257 1.00 34.90 C +ATOM 1552 N THR A 215 -2.497 -16.871 38.674 1.00 30.77 N +ATOM 1553 CA THR A 215 -1.995 -15.587 39.128 1.00 30.49 C +ATOM 1554 C THR A 215 -0.683 -15.721 39.891 1.00 28.99 C +ATOM 1555 O THR A 215 -0.313 -16.774 40.409 1.00 31.02 O +ATOM 1556 CB THR A 215 -3.026 -14.886 40.047 1.00 29.67 C +ATOM 1557 OG1 THR A 215 -3.354 -15.772 41.128 1.00 30.55 O +ATOM 1558 CG2 THR A 215 -4.302 -14.564 39.289 1.00 29.33 C +ATOM 1559 N VAL A 216 0.029 -14.613 39.985 1.00 32.23 N +ATOM 1560 CA VAL A 216 1.273 -14.497 40.722 1.00 31.30 C +ATOM 1561 C VAL A 216 1.348 -13.082 41.309 1.00 30.73 C +ATOM 1562 O VAL A 216 0.859 -12.141 40.681 1.00 31.88 O +ATOM 1563 CB VAL A 216 2.515 -14.779 39.877 1.00 30.82 C +ATOM 1564 CG1 VAL A 216 3.781 -14.351 40.601 1.00 29.84 C +ATOM 1565 CG2 VAL A 216 2.593 -16.258 39.513 1.00 32.48 C +ATOM 1566 N LYS A 217 1.917 -12.957 42.493 1.00 30.68 N +ATOM 1567 CA LYS A 217 2.000 -11.672 43.172 1.00 35.50 C +ATOM 1568 C LYS A 217 3.209 -10.857 42.730 1.00 34.46 C +ATOM 1569 O LYS A 217 4.287 -11.393 42.497 1.00 35.17 O +ATOM 1570 CB LYS A 217 2.062 -11.863 44.696 1.00 33.66 C +ATOM 1571 CG LYS A 217 1.016 -12.797 45.259 1.00 38.02 C +ATOM 1572 CD LYS A 217 -0.392 -12.226 45.130 1.00 38.77 C +ATOM 1573 CE LYS A 217 -1.295 -12.807 46.214 1.00 40.78 C +ATOM 1574 NZ LYS A 217 -2.696 -12.323 46.100 1.00 39.87 N +ATOM 1575 N VAL A 218 3.005 -9.545 42.630 1.00 35.06 N +ATOM 1576 CA VAL A 218 4.054 -8.615 42.243 1.00 35.40 C +ATOM 1577 C VAL A 218 3.791 -7.245 42.882 1.00 31.11 C +ATOM 1578 O VAL A 218 2.637 -6.888 43.109 1.00 27.50 O +ATOM 1579 CB VAL A 218 4.100 -8.406 40.716 1.00 37.16 C +ATOM 1580 CG1 VAL A 218 4.236 -9.735 39.990 1.00 38.47 C +ATOM 1581 CG2 VAL A 218 2.857 -7.657 40.251 1.00 35.99 C +ATOM 1582 N PRO A 219 4.842 -6.496 43.140 1.00 22.72 N +ATOM 1583 CA PRO A 219 4.696 -5.159 43.711 1.00 30.56 C +ATOM 1584 C PRO A 219 3.895 -4.314 42.726 1.00 31.04 C +ATOM 1585 O PRO A 219 4.221 -4.271 41.531 1.00 28.15 O +ATOM 1586 CB PRO A 219 6.098 -4.677 43.926 1.00 31.53 C +ATOM 1587 CG PRO A 219 7.005 -5.612 43.223 1.00 26.90 C +ATOM 1588 CD PRO A 219 6.247 -6.853 42.892 1.00 25.60 C +ATOM 1589 N MET A 220 2.818 -3.702 43.197 1.00 25.12 N +ATOM 1590 CA MET A 220 1.961 -2.912 42.330 1.00 26.38 C +ATOM 1591 C MET A 220 1.815 -1.461 42.758 1.00 32.67 C +ATOM 1592 O MET A 220 1.271 -1.145 43.818 1.00 24.59 O +ATOM 1593 CB MET A 220 0.573 -3.548 42.197 1.00 25.18 C +ATOM 1594 CG MET A 220 -0.301 -2.893 41.138 1.00 27.87 C +ATOM 1595 SD MET A 220 0.082 -3.415 39.452 1.00 27.93 S +ATOM 1596 CE MET A 220 -0.379 -5.143 39.516 1.00 30.55 C +ATOM 1597 N MET A 221 2.282 -0.557 41.887 1.00 25.64 N +ATOM 1598 CA MET A 221 2.161 0.868 42.187 1.00 17.77 C +ATOM 1599 C MET A 221 0.729 1.292 41.924 1.00 14.07 C +ATOM 1600 O MET A 221 0.024 0.660 41.132 1.00 20.68 O +ATOM 1601 CB MET A 221 3.164 1.709 41.403 1.00 24.27 C +ATOM 1602 CG MET A 221 4.618 1.289 41.592 1.00 23.65 C +ATOM 1603 SD MET A 221 5.761 2.286 40.582 1.00 23.76 S +ATOM 1604 CE MET A 221 4.952 2.177 39.000 1.00 22.27 C +ATOM 1605 N LYS A 222 0.224 2.282 42.686 1.00 18.52 N +ATOM 1606 CA LYS A 222 -1.152 2.702 42.414 1.00 24.45 C +ATOM 1607 C LYS A 222 -1.331 4.177 42.744 1.00 20.40 C +ATOM 1608 O LYS A 222 -0.623 4.717 43.584 1.00 18.94 O +ATOM 1609 CB LYS A 222 -2.188 1.825 43.073 1.00 29.25 C +ATOM 1610 CG LYS A 222 -2.327 1.906 44.581 1.00 30.22 C +ATOM 1611 CD LYS A 222 -3.402 0.916 45.054 1.00 30.23 C +ATOM 1612 CE LYS A 222 -3.362 0.715 46.555 1.00 28.57 C +ATOM 1613 NZ LYS A 222 -2.032 0.221 47.025 1.00 30.49 N +ATOM 1614 N ARG A 223 -2.245 4.810 42.018 1.00 20.39 N +ATOM 1615 CA ARG A 223 -2.529 6.213 42.196 1.00 23.87 C +ATOM 1616 C ARG A 223 -3.858 6.619 41.562 1.00 22.86 C +ATOM 1617 O ARG A 223 -4.238 6.162 40.492 1.00 22.29 O +ATOM 1618 CB ARG A 223 -1.411 7.095 41.616 1.00 25.70 C +ATOM 1619 CG ARG A 223 -1.783 8.577 41.602 1.00 25.90 C +ATOM 1620 CD ARG A 223 -0.534 9.451 41.546 1.00 29.09 C +ATOM 1621 NE ARG A 223 -0.032 9.521 40.165 1.00 32.64 N +ATOM 1622 CZ ARG A 223 -0.544 10.387 39.286 1.00 32.96 C +ATOM 1623 NH1 ARG A 223 -1.519 11.199 39.675 1.00 33.03 N +ATOM 1624 NH2 ARG A 223 -0.079 10.429 38.050 1.00 32.07 N +ATOM 1625 N LEU A 224 -4.536 7.514 42.261 1.00 19.82 N +ATOM 1626 CA LEU A 224 -5.784 8.100 41.800 1.00 21.56 C +ATOM 1627 C LEU A 224 -5.456 9.519 41.302 1.00 22.69 C +ATOM 1628 O LEU A 224 -4.907 10.323 42.062 1.00 21.04 O +ATOM 1629 CB LEU A 224 -6.799 8.197 42.939 1.00 25.50 C +ATOM 1630 CG LEU A 224 -8.090 8.964 42.611 1.00 29.00 C +ATOM 1631 CD1 LEU A 224 -8.734 8.384 41.363 1.00 29.64 C +ATOM 1632 CD2 LEU A 224 -9.050 8.907 43.794 1.00 29.41 C +ATOM 1633 N GLY A 225 -5.745 9.781 40.038 1.00 25.84 N +ATOM 1634 CA GLY A 225 -5.433 11.104 39.493 1.00 23.66 C +ATOM 1635 C GLY A 225 -6.035 11.276 38.105 1.00 23.42 C +ATOM 1636 O GLY A 225 -6.913 10.531 37.692 1.00 22.72 O +ATOM 1637 N MET A 226 -5.552 12.296 37.414 1.00 22.06 N +ATOM 1638 CA MET A 226 -5.996 12.627 36.068 1.00 19.91 C +ATOM 1639 C MET A 226 -4.941 12.114 35.088 1.00 24.71 C +ATOM 1640 O MET A 226 -3.845 12.658 35.001 1.00 26.91 O +ATOM 1641 CB MET A 226 -6.189 14.136 35.929 1.00 20.58 C +ATOM 1642 CG MET A 226 -7.179 14.699 36.962 1.00 21.21 C +ATOM 1643 SD MET A 226 -8.808 13.941 36.814 1.00 22.70 S +ATOM 1644 CE MET A 226 -9.412 14.691 35.314 1.00 24.53 C +ATOM 1645 N PHE A 227 -5.283 11.034 34.397 1.00 24.01 N +ATOM 1646 CA PHE A 227 -4.370 10.411 33.463 1.00 22.93 C +ATOM 1647 C PHE A 227 -4.844 10.529 32.022 1.00 23.81 C +ATOM 1648 O PHE A 227 -6.050 10.599 31.749 1.00 24.66 O +ATOM 1649 CB PHE A 227 -4.305 8.889 33.760 1.00 21.03 C +ATOM 1650 CG PHE A 227 -3.623 8.548 35.085 1.00 19.14 C +ATOM 1651 CD1 PHE A 227 -2.227 8.525 35.169 1.00 20.46 C +ATOM 1652 CD2 PHE A 227 -4.398 8.251 36.212 1.00 18.02 C +ATOM 1653 CE1 PHE A 227 -1.604 8.207 36.381 1.00 19.25 C +ATOM 1654 CE2 PHE A 227 -3.776 7.933 37.425 1.00 18.13 C +ATOM 1655 CZ PHE A 227 -2.378 7.910 37.509 1.00 16.57 C +ATOM 1656 N ASN A 228 -3.856 10.542 31.149 1.00 28.21 N +ATOM 1657 CA ASN A 228 -4.080 10.534 29.705 1.00 25.84 C +ATOM 1658 C ASN A 228 -4.255 9.077 29.306 1.00 24.93 C +ATOM 1659 O ASN A 228 -3.333 8.447 28.767 1.00 23.43 O +ATOM 1660 CB ASN A 228 -2.882 11.147 28.978 1.00 26.67 C +ATOM 1661 CG ASN A 228 -3.039 11.122 27.455 1.00 27.31 C +ATOM 1662 OD1 ASN A 228 -2.343 11.853 26.753 1.00 32.18 O +ATOM 1663 ND2 ASN A 228 -3.923 10.316 26.896 1.00 24.96 N +ATOM 1664 N ILE A 229 -5.442 8.592 29.607 1.00 20.26 N +ATOM 1665 CA ILE A 229 -5.790 7.191 29.397 1.00 22.89 C +ATOM 1666 C ILE A 229 -7.144 7.037 28.746 1.00 26.89 C +ATOM 1667 O ILE A 229 -8.048 7.854 28.963 1.00 28.57 O +ATOM 1668 CB ILE A 229 -5.817 6.485 30.757 1.00 22.20 C +ATOM 1669 CG1 ILE A 229 -6.001 4.972 30.660 1.00 24.79 C +ATOM 1670 CG2 ILE A 229 -6.947 6.978 31.664 1.00 24.99 C +ATOM 1671 CD1 ILE A 229 -5.765 4.258 31.995 1.00 23.30 C +ATOM 1672 N GLN A 230 -7.289 6.002 27.929 1.00 30.49 N +ATOM 1673 CA GLN A 230 -8.545 5.775 27.226 1.00 31.75 C +ATOM 1674 C GLN A 230 -8.635 4.337 26.732 1.00 34.06 C +ATOM 1675 O GLN A 230 -7.632 3.625 26.676 1.00 32.52 O +ATOM 1676 CB GLN A 230 -8.641 6.734 26.028 1.00 34.64 C +ATOM 1677 CG GLN A 230 -7.389 6.760 25.165 1.00 37.21 C +ATOM 1678 CD GLN A 230 -6.372 7.785 25.615 1.00 40.79 C +ATOM 1679 OE1 GLN A 230 -5.258 7.453 26.036 1.00 41.24 O +ATOM 1680 NE2 GLN A 230 -6.741 9.061 25.524 1.00 39.95 N +ATOM 1681 N HIS A 231 -9.853 3.928 26.396 1.00 32.76 N +ATOM 1682 CA HIS A 231 -10.078 2.594 25.860 1.00 35.13 C +ATOM 1683 C HIS A 231 -10.259 2.735 24.344 1.00 42.06 C +ATOM 1684 O HIS A 231 -11.062 3.555 23.903 1.00 41.00 O +ATOM 1685 CB HIS A 231 -11.271 1.890 26.498 1.00 38.02 C +ATOM 1686 CG HIS A 231 -11.273 0.419 26.169 1.00 38.81 C +ATOM 1687 ND1 HIS A 231 -11.681 -0.050 24.941 1.00 39.89 N +ATOM 1688 CD2 HIS A 231 -10.902 -0.660 26.887 1.00 36.93 C +ATOM 1689 CE1 HIS A 231 -11.568 -1.365 24.914 1.00 39.71 C +ATOM 1690 NE2 HIS A 231 -11.095 -1.758 26.084 1.00 40.86 N +ATOM 1691 N CYS A 232 -9.463 2.006 23.578 1.00 36.81 N +ATOM 1692 CA CYS A 232 -9.507 2.108 22.119 1.00 35.06 C +ATOM 1693 C CYS A 232 -10.197 0.900 21.507 1.00 39.56 C +ATOM 1694 O CYS A 232 -9.771 -0.240 21.687 1.00 34.74 O +ATOM 1695 CB CYS A 232 -8.093 2.284 21.583 1.00 36.30 C +ATOM 1696 SG CYS A 232 -7.892 2.290 19.794 1.00 36.61 S +ATOM 1697 N LYS A 233 -11.282 1.163 20.784 1.00 43.66 N +ATOM 1698 CA LYS A 233 -12.076 0.131 20.151 1.00 48.21 C +ATOM 1699 C LYS A 233 -11.278 -0.692 19.148 1.00 44.76 C +ATOM 1700 O LYS A 233 -11.360 -1.923 19.158 1.00 50.17 O +ATOM 1701 CB LYS A 233 -13.314 0.741 19.471 1.00 48.30 C +ATOM 1702 CG LYS A 233 -14.610 0.524 20.225 1.00 49.87 C +ATOM 1703 CD LYS A 233 -15.742 1.377 19.661 1.00 52.61 C +ATOM 1704 CE LYS A 233 -17.095 0.885 20.155 1.00 52.38 C +ATOM 1705 NZ LYS A 233 -18.226 1.526 19.420 1.00 51.61 N +ATOM 1706 N LYS A 234 -10.516 -0.037 18.291 1.00 43.69 N +ATOM 1707 CA LYS A 234 -9.718 -0.700 17.281 1.00 49.74 C +ATOM 1708 C LYS A 234 -8.635 -1.598 17.848 1.00 46.04 C +ATOM 1709 O LYS A 234 -8.393 -2.686 17.309 1.00 50.13 O +ATOM 1710 CB LYS A 234 -9.082 0.330 16.330 1.00 50.34 C +ATOM 1711 CG LYS A 234 -8.090 -0.278 15.355 1.00 53.83 C +ATOM 1712 CD LYS A 234 -8.114 0.420 14.007 1.00 54.81 C +ATOM 1713 CE LYS A 234 -8.216 1.929 14.151 1.00 55.79 C +ATOM 1714 NZ LYS A 234 -8.009 2.620 12.842 1.00 54.98 N +ATOM 1715 N LEU A 235 -7.948 -1.151 18.896 1.00 33.59 N +ATOM 1716 CA LEU A 235 -6.869 -1.951 19.466 1.00 33.04 C +ATOM 1717 C LEU A 235 -7.396 -2.900 20.532 1.00 29.03 C +ATOM 1718 O LEU A 235 -6.644 -3.698 21.088 1.00 35.45 O +ATOM 1719 CB LEU A 235 -5.781 -1.066 20.048 1.00 33.29 C +ATOM 1720 CG LEU A 235 -5.053 -0.083 19.145 1.00 28.52 C +ATOM 1721 CD1 LEU A 235 -3.901 0.578 19.892 1.00 26.58 C +ATOM 1722 CD2 LEU A 235 -4.530 -0.770 17.893 1.00 32.62 C +ATOM 1723 N SER A 236 -8.686 -2.791 20.833 1.00 36.52 N +ATOM 1724 CA SER A 236 -9.294 -3.620 21.870 1.00 35.03 C +ATOM 1725 C SER A 236 -8.424 -3.568 23.126 1.00 35.09 C +ATOM 1726 O SER A 236 -8.174 -4.584 23.770 1.00 40.14 O +ATOM 1727 CB SER A 236 -9.477 -5.053 21.398 1.00 36.24 C +ATOM 1728 OG SER A 236 -10.555 -5.164 20.487 1.00 39.15 O +ATOM 1729 N SER A 237 -7.957 -2.363 23.456 1.00 29.40 N +ATOM 1730 CA SER A 237 -7.097 -2.178 24.605 1.00 26.43 C +ATOM 1731 C SER A 237 -7.264 -0.827 25.292 1.00 26.26 C +ATOM 1732 O SER A 237 -7.691 0.146 24.684 1.00 27.48 O +ATOM 1733 CB SER A 237 -5.616 -2.227 24.114 1.00 24.36 C +ATOM 1734 OG SER A 237 -5.444 -3.349 23.256 1.00 25.81 O +ATOM 1735 N TRP A 238 -6.849 -0.785 26.555 1.00 22.12 N +ATOM 1736 CA TRP A 238 -6.730 0.478 27.278 1.00 27.70 C +ATOM 1737 C TRP A 238 -5.355 1.046 26.850 1.00 29.64 C +ATOM 1738 O TRP A 238 -4.415 0.264 26.678 1.00 27.93 O +ATOM 1739 CB TRP A 238 -6.726 0.285 28.784 1.00 26.60 C +ATOM 1740 CG TRP A 238 -8.098 0.181 29.380 1.00 32.69 C +ATOM 1741 CD1 TRP A 238 -8.788 -0.945 29.693 1.00 32.84 C +ATOM 1742 CD2 TRP A 238 -8.944 1.288 29.733 1.00 31.06 C +ATOM 1743 NE1 TRP A 238 -10.017 -0.615 30.218 1.00 36.65 N +ATOM 1744 CE2 TRP A 238 -10.131 0.750 30.253 1.00 33.90 C +ATOM 1745 CE3 TRP A 238 -8.795 2.677 29.655 1.00 31.39 C +ATOM 1746 CZ2 TRP A 238 -11.183 1.554 30.700 1.00 32.70 C +ATOM 1747 CZ3 TRP A 238 -9.842 3.472 30.099 1.00 32.32 C +ATOM 1748 CH2 TRP A 238 -11.014 2.904 30.613 1.00 30.24 C +ATOM 1749 N VAL A 239 -5.276 2.344 26.684 1.00 27.05 N +ATOM 1750 CA VAL A 239 -4.016 2.967 26.266 1.00 22.20 C +ATOM 1751 C VAL A 239 -3.655 4.108 27.201 1.00 21.53 C +ATOM 1752 O VAL A 239 -4.386 5.088 27.321 1.00 19.79 O +ATOM 1753 CB VAL A 239 -4.130 3.447 24.811 1.00 21.37 C +ATOM 1754 CG1 VAL A 239 -2.800 3.979 24.312 1.00 20.42 C +ATOM 1755 CG2 VAL A 239 -4.636 2.296 23.940 1.00 23.09 C +ATOM 1756 N LEU A 240 -2.520 3.974 27.874 1.00 16.74 N +ATOM 1757 CA LEU A 240 -2.054 4.940 28.848 1.00 20.35 C +ATOM 1758 C LEU A 240 -0.741 5.594 28.450 1.00 21.32 C +ATOM 1759 O LEU A 240 0.222 4.906 28.087 1.00 19.62 O +ATOM 1760 CB LEU A 240 -1.891 4.220 30.201 1.00 19.33 C +ATOM 1761 CG LEU A 240 -1.090 4.915 31.292 1.00 20.76 C +ATOM 1762 CD1 LEU A 240 -1.835 6.128 31.842 1.00 19.05 C +ATOM 1763 CD2 LEU A 240 -0.780 3.934 32.429 1.00 19.61 C +ATOM 1764 N LEU A 241 -0.699 6.912 28.520 1.00 20.73 N +ATOM 1765 CA LEU A 241 0.470 7.708 28.216 1.00 21.73 C +ATOM 1766 C LEU A 241 0.940 8.491 29.439 1.00 20.24 C +ATOM 1767 O LEU A 241 0.186 9.277 30.018 1.00 20.47 O +ATOM 1768 CB LEU A 241 0.181 8.708 27.079 1.00 21.97 C +ATOM 1769 CG LEU A 241 0.113 8.117 25.667 1.00 25.79 C +ATOM 1770 CD1 LEU A 241 -1.216 7.405 25.445 1.00 27.21 C +ATOM 1771 CD2 LEU A 241 0.324 9.196 24.618 1.00 23.30 C +ATOM 1772 N MET A 242 2.193 8.298 29.835 1.00 22.70 N +ATOM 1773 CA MET A 242 2.754 9.017 30.979 1.00 23.98 C +ATOM 1774 C MET A 242 4.101 9.614 30.590 1.00 24.45 C +ATOM 1775 O MET A 242 4.928 8.913 29.998 1.00 20.68 O +ATOM 1776 CB MET A 242 2.890 8.117 32.205 1.00 25.10 C +ATOM 1777 CG MET A 242 1.550 7.703 32.807 1.00 26.61 C +ATOM 1778 SD MET A 242 1.711 6.963 34.440 1.00 28.28 S +ATOM 1779 CE MET A 242 2.884 5.659 34.133 1.00 27.92 C +ATOM 1780 N LYS A 243 4.304 10.891 30.899 1.00 22.00 N +ATOM 1781 CA LYS A 243 5.545 11.558 30.537 1.00 27.20 C +ATOM 1782 C LYS A 243 6.645 11.422 31.576 1.00 23.44 C +ATOM 1783 O LYS A 243 6.410 11.428 32.780 1.00 32.62 O +ATOM 1784 CB LYS A 243 5.294 13.045 30.251 1.00 26.36 C +ATOM 1785 CG LYS A 243 4.254 13.315 29.173 1.00 28.20 C +ATOM 1786 CD LYS A 243 4.116 14.822 28.963 1.00 33.49 C +ATOM 1787 CE LYS A 243 2.920 15.171 28.101 1.00 36.76 C +ATOM 1788 NZ LYS A 243 2.485 16.586 28.328 1.00 41.78 N +ATOM 1789 N TYR A 244 7.876 11.326 31.095 1.00 29.55 N +ATOM 1790 CA TYR A 244 9.059 11.217 31.924 1.00 27.40 C +ATOM 1791 C TYR A 244 9.785 12.575 31.970 1.00 34.37 C +ATOM 1792 O TYR A 244 9.760 13.287 30.964 1.00 33.86 O +ATOM 1793 CB TYR A 244 10.065 10.244 31.315 1.00 30.14 C +ATOM 1794 CG TYR A 244 9.784 8.777 31.411 1.00 27.60 C +ATOM 1795 CD1 TYR A 244 9.788 8.116 32.634 1.00 28.16 C +ATOM 1796 CD2 TYR A 244 9.539 8.027 30.263 1.00 29.79 C +ATOM 1797 CE1 TYR A 244 9.541 6.756 32.710 1.00 28.47 C +ATOM 1798 CE2 TYR A 244 9.289 6.674 30.335 1.00 27.11 C +ATOM 1799 CZ TYR A 244 9.294 6.045 31.561 1.00 27.51 C +ATOM 1800 OH TYR A 244 9.047 4.691 31.625 1.00 31.30 O +ATOM 1801 N LEU A 245 10.449 12.856 33.087 1.00 34.95 N +ATOM 1802 CA LEU A 245 11.249 14.097 33.120 1.00 39.82 C +ATOM 1803 C LEU A 245 12.240 13.972 31.950 1.00 41.63 C +ATOM 1804 O LEU A 245 12.896 12.938 31.819 1.00 43.16 O +ATOM 1805 CB LEU A 245 11.990 14.272 34.423 1.00 39.78 C +ATOM 1806 CG LEU A 245 11.272 14.982 35.571 1.00 40.07 C +ATOM 1807 CD1 LEU A 245 10.605 16.257 35.075 1.00 40.95 C +ATOM 1808 CD2 LEU A 245 10.270 14.060 36.237 1.00 41.53 C +ATOM 1809 N GLY A 246 12.308 14.995 31.124 1.00 44.34 N +ATOM 1810 CA GLY A 246 13.197 14.955 29.955 1.00 44.59 C +ATOM 1811 C GLY A 246 12.303 14.978 28.708 1.00 46.38 C +ATOM 1812 O GLY A 246 11.183 15.489 28.783 1.00 51.30 O +ATOM 1813 N ASN A 247 12.777 14.418 27.609 1.00 48.24 N +ATOM 1814 CA ASN A 247 11.993 14.430 26.376 1.00 50.06 C +ATOM 1815 C ASN A 247 11.397 13.087 26.020 1.00 46.46 C +ATOM 1816 O ASN A 247 11.388 12.744 24.828 1.00 46.27 O +ATOM 1817 CB ASN A 247 12.901 14.913 25.224 1.00 51.22 C +ATOM 1818 CG ASN A 247 14.235 14.188 25.217 1.00 52.72 C +ATOM 1819 OD1 ASN A 247 15.039 14.332 26.139 1.00 53.61 O +ATOM 1820 ND2 ASN A 247 14.479 13.403 24.176 1.00 52.79 N +ATOM 1821 N ALA A 248 10.885 12.328 26.992 1.00 38.01 N +ATOM 1822 CA ALA A 248 10.336 11.014 26.690 1.00 35.06 C +ATOM 1823 C ALA A 248 8.942 10.756 27.238 1.00 32.88 C +ATOM 1824 O ALA A 248 8.513 11.292 28.256 1.00 29.97 O +ATOM 1825 CB ALA A 248 11.293 9.931 27.187 1.00 34.29 C +ATOM 1826 N THR A 249 8.225 9.874 26.538 1.00 27.58 N +ATOM 1827 CA THR A 249 6.873 9.495 26.902 1.00 26.38 C +ATOM 1828 C THR A 249 6.632 7.999 26.781 1.00 21.54 C +ATOM 1829 O THR A 249 6.900 7.376 25.750 1.00 25.12 O +ATOM 1830 CB THR A 249 5.838 10.251 26.043 1.00 26.30 C +ATOM 1831 OG1 THR A 249 6.007 11.661 26.249 1.00 27.77 O +ATOM 1832 CG2 THR A 249 4.421 9.864 26.426 1.00 26.82 C +ATOM 1833 N ALA A 250 6.109 7.405 27.849 1.00 20.32 N +ATOM 1834 CA ALA A 250 5.797 5.983 27.865 1.00 18.74 C +ATOM 1835 C ALA A 250 4.337 5.745 27.473 1.00 17.70 C +ATOM 1836 O ALA A 250 3.443 6.438 27.944 1.00 19.05 O +ATOM 1837 CB ALA A 250 6.046 5.406 29.256 1.00 18.12 C +ATOM 1838 N ILE A 251 4.107 4.756 26.617 1.00 17.14 N +ATOM 1839 CA ILE A 251 2.768 4.379 26.205 1.00 16.86 C +ATOM 1840 C ILE A 251 2.509 2.912 26.564 1.00 21.29 C +ATOM 1841 O ILE A 251 3.202 2.016 26.073 1.00 21.69 O +ATOM 1842 CB ILE A 251 2.531 4.579 24.700 1.00 19.99 C +ATOM 1843 CG1 ILE A 251 3.104 5.927 24.245 1.00 23.01 C +ATOM 1844 CG2 ILE A 251 1.051 4.494 24.378 1.00 20.09 C +ATOM 1845 CD1 ILE A 251 2.885 6.218 22.776 1.00 23.29 C +ATOM 1846 N PHE A 252 1.516 2.668 27.413 1.00 13.82 N +ATOM 1847 CA PHE A 252 1.168 1.318 27.829 1.00 14.75 C +ATOM 1848 C PHE A 252 -0.125 0.854 27.175 1.00 18.59 C +ATOM 1849 O PHE A 252 -1.104 1.613 27.167 1.00 19.46 O +ATOM 1850 CB PHE A 252 1.074 1.254 29.361 1.00 14.44 C +ATOM 1851 CG PHE A 252 2.328 1.640 30.087 1.00 20.24 C +ATOM 1852 CD1 PHE A 252 3.277 0.690 30.433 1.00 22.32 C +ATOM 1853 CD2 PHE A 252 2.566 2.958 30.441 1.00 17.96 C +ATOM 1854 CE1 PHE A 252 4.435 1.045 31.098 1.00 18.76 C +ATOM 1855 CE2 PHE A 252 3.715 3.323 31.109 1.00 19.89 C +ATOM 1856 CZ PHE A 252 4.647 2.361 31.443 1.00 22.43 C +ATOM 1857 N PHE A 253 -0.147 -0.321 26.555 1.00 15.03 N +ATOM 1858 CA PHE A 253 -1.332 -0.877 25.933 1.00 15.69 C +ATOM 1859 C PHE A 253 -1.796 -2.143 26.680 1.00 26.54 C +ATOM 1860 O PHE A 253 -1.094 -3.164 26.672 1.00 24.06 O +ATOM 1861 CB PHE A 253 -1.136 -1.279 24.465 1.00 17.60 C +ATOM 1862 CG PHE A 253 -0.518 -0.197 23.614 1.00 19.40 C +ATOM 1863 CD1 PHE A 253 -1.306 0.615 22.827 1.00 24.77 C +ATOM 1864 CD2 PHE A 253 0.853 -0.004 23.618 1.00 22.97 C +ATOM 1865 CE1 PHE A 253 -0.755 1.620 22.055 1.00 22.76 C +ATOM 1866 CE2 PHE A 253 1.422 0.990 22.835 1.00 26.82 C +ATOM 1867 CZ PHE A 253 0.619 1.799 22.060 1.00 26.59 C +ATOM 1868 N LEU A 254 -2.966 -2.087 27.288 1.00 23.31 N +ATOM 1869 CA LEU A 254 -3.534 -3.218 28.021 1.00 20.80 C +ATOM 1870 C LEU A 254 -4.662 -3.855 27.215 1.00 24.15 C +ATOM 1871 O LEU A 254 -5.767 -3.302 27.161 1.00 26.60 O +ATOM 1872 CB LEU A 254 -4.135 -2.714 29.349 1.00 24.92 C +ATOM 1873 CG LEU A 254 -4.733 -3.814 30.246 1.00 23.56 C +ATOM 1874 CD1 LEU A 254 -3.609 -4.607 30.894 1.00 22.56 C +ATOM 1875 CD2 LEU A 254 -5.656 -3.205 31.297 1.00 25.84 C +ATOM 1876 N PRO A 255 -4.400 -4.981 26.580 1.00 26.29 N +ATOM 1877 CA PRO A 255 -5.377 -5.663 25.766 1.00 27.12 C +ATOM 1878 C PRO A 255 -6.530 -6.257 26.556 1.00 27.34 C +ATOM 1879 O PRO A 255 -6.352 -6.719 27.680 1.00 27.39 O +ATOM 1880 CB PRO A 255 -4.577 -6.779 25.090 1.00 27.78 C +ATOM 1881 CG PRO A 255 -3.434 -7.026 26.011 1.00 27.65 C +ATOM 1882 CD PRO A 255 -3.089 -5.684 26.599 1.00 18.46 C +ATOM 1883 N ASP A 256 -7.716 -6.235 25.954 1.00 32.28 N +ATOM 1884 CA ASP A 256 -8.902 -6.816 26.574 1.00 39.85 C +ATOM 1885 C ASP A 256 -8.698 -8.338 26.640 1.00 41.75 C +ATOM 1886 O ASP A 256 -7.709 -8.831 26.093 1.00 41.90 O +ATOM 1887 CB ASP A 256 -10.154 -6.526 25.756 1.00 39.59 C +ATOM 1888 CG ASP A 256 -10.573 -5.078 25.719 1.00 39.26 C +ATOM 1889 OD1 ASP A 256 -10.283 -4.329 26.675 1.00 39.65 O +ATOM 1890 OD2 ASP A 256 -11.212 -4.672 24.719 1.00 38.25 O +ATOM 1891 N GLU A 257 -9.615 -9.038 27.285 1.00 44.12 N +ATOM 1892 CA GLU A 257 -9.517 -10.491 27.394 1.00 46.98 C +ATOM 1893 C GLU A 257 -9.310 -11.117 26.014 1.00 41.18 C +ATOM 1894 O GLU A 257 -10.135 -10.922 25.120 1.00 39.03 O +ATOM 1895 CB GLU A 257 -10.782 -11.081 28.018 1.00 48.02 C +ATOM 1896 CG GLU A 257 -10.813 -11.108 29.533 1.00 52.39 C +ATOM 1897 CD GLU A 257 -11.831 -12.096 30.079 1.00 54.15 C +ATOM 1898 OE1 GLU A 257 -13.038 -11.931 29.802 1.00 54.22 O +ATOM 1899 OE2 GLU A 257 -11.423 -13.043 30.784 1.00 56.03 O +ATOM 1900 N GLY A 258 -8.233 -11.867 25.854 1.00 38.90 N +ATOM 1901 CA GLY A 258 -7.915 -12.537 24.614 1.00 40.57 C +ATOM 1902 C GLY A 258 -7.648 -11.634 23.433 1.00 43.09 C +ATOM 1903 O GLY A 258 -7.872 -12.051 22.281 1.00 40.51 O +ATOM 1904 N LYS A 259 -7.143 -10.419 23.650 1.00 38.16 N +ATOM 1905 CA LYS A 259 -6.879 -9.519 22.529 1.00 36.61 C +ATOM 1906 C LYS A 259 -5.421 -9.129 22.386 1.00 34.80 C +ATOM 1907 O LYS A 259 -5.107 -8.222 21.592 1.00 36.43 O +ATOM 1908 CB LYS A 259 -7.746 -8.259 22.639 1.00 38.98 C +ATOM 1909 CG LYS A 259 -9.239 -8.522 22.613 1.00 41.63 C +ATOM 1910 CD LYS A 259 -9.741 -8.766 21.196 1.00 45.27 C +ATOM 1911 CE LYS A 259 -11.206 -9.182 21.208 1.00 45.92 C +ATOM 1912 NZ LYS A 259 -11.748 -9.356 19.834 1.00 47.26 N +ATOM 1913 N LEU A 260 -4.513 -9.773 23.106 1.00 28.16 N +ATOM 1914 CA LEU A 260 -3.099 -9.424 23.001 1.00 32.10 C +ATOM 1915 C LEU A 260 -2.595 -9.512 21.564 1.00 31.40 C +ATOM 1916 O LEU A 260 -1.993 -8.566 21.051 1.00 30.22 O +ATOM 1917 CB LEU A 260 -2.234 -10.290 23.914 1.00 30.81 C +ATOM 1918 CG LEU A 260 -0.718 -10.136 23.687 1.00 32.42 C +ATOM 1919 CD1 LEU A 260 -0.298 -8.693 23.880 1.00 31.12 C +ATOM 1920 CD2 LEU A 260 0.060 -11.062 24.605 1.00 32.76 C +ATOM 1921 N GLN A 261 -2.829 -10.647 20.917 1.00 32.40 N +ATOM 1922 CA GLN A 261 -2.397 -10.860 19.544 1.00 38.69 C +ATOM 1923 C GLN A 261 -3.005 -9.824 18.605 1.00 37.96 C +ATOM 1924 O GLN A 261 -2.330 -9.312 17.715 1.00 35.85 O +ATOM 1925 CB GLN A 261 -2.764 -12.270 19.069 1.00 40.52 C +ATOM 1926 CG GLN A 261 -2.192 -12.607 17.695 1.00 43.10 C +ATOM 1927 CD GLN A 261 -0.685 -12.778 17.747 1.00 44.55 C +ATOM 1928 OE1 GLN A 261 -0.184 -13.688 18.411 1.00 46.58 O +ATOM 1929 NE2 GLN A 261 0.038 -11.908 17.055 1.00 43.84 N +ATOM 1930 N HIS A 262 -4.285 -9.527 18.810 1.00 36.53 N +ATOM 1931 CA HIS A 262 -4.971 -8.531 17.983 1.00 37.61 C +ATOM 1932 C HIS A 262 -4.266 -7.179 18.126 1.00 37.68 C +ATOM 1933 O HIS A 262 -3.965 -6.491 17.154 1.00 32.82 O +ATOM 1934 CB HIS A 262 -6.429 -8.417 18.419 1.00 38.85 C +ATOM 1935 CG HIS A 262 -7.193 -7.332 17.732 1.00 41.39 C +ATOM 1936 ND1 HIS A 262 -7.642 -7.441 16.438 1.00 41.41 N +ATOM 1937 CD2 HIS A 262 -7.587 -6.107 18.167 1.00 41.94 C +ATOM 1938 CE1 HIS A 262 -8.282 -6.336 16.098 1.00 41.59 C +ATOM 1939 NE2 HIS A 262 -8.262 -5.511 17.128 1.00 41.78 N +ATOM 1940 N LEU A 263 -3.990 -6.830 19.373 1.00 34.61 N +ATOM 1941 CA LEU A 263 -3.309 -5.592 19.730 1.00 31.41 C +ATOM 1942 C LEU A 263 -1.964 -5.487 19.014 1.00 30.88 C +ATOM 1943 O LEU A 263 -1.604 -4.441 18.475 1.00 28.68 O +ATOM 1944 CB LEU A 263 -3.090 -5.583 21.243 1.00 30.21 C +ATOM 1945 CG LEU A 263 -2.628 -4.313 21.932 1.00 30.32 C +ATOM 1946 CD1 LEU A 263 -1.628 -4.634 23.040 1.00 29.26 C +ATOM 1947 CD2 LEU A 263 -2.066 -3.286 20.980 1.00 29.21 C +ATOM 1948 N GLU A 264 -1.215 -6.589 19.017 1.00 31.18 N +ATOM 1949 CA GLU A 264 0.091 -6.611 18.371 1.00 33.32 C +ATOM 1950 C GLU A 264 -0.017 -6.401 16.866 1.00 34.38 C +ATOM 1951 O GLU A 264 0.764 -5.635 16.294 1.00 32.01 O +ATOM 1952 CB GLU A 264 0.838 -7.906 18.693 1.00 32.09 C +ATOM 1953 CG GLU A 264 1.216 -8.044 20.162 1.00 32.47 C +ATOM 1954 CD GLU A 264 1.870 -9.368 20.492 1.00 34.35 C +ATOM 1955 OE1 GLU A 264 1.495 -10.387 19.877 1.00 34.51 O +ATOM 1956 OE2 GLU A 264 2.762 -9.401 21.370 1.00 34.30 O +ATOM 1957 N ASN A 265 -0.978 -7.051 16.225 1.00 35.91 N +ATOM 1958 CA ASN A 265 -1.175 -6.952 14.793 1.00 38.28 C +ATOM 1959 C ASN A 265 -1.667 -5.579 14.346 1.00 37.97 C +ATOM 1960 O ASN A 265 -1.222 -5.062 13.320 1.00 38.84 O +ATOM 1961 CB ASN A 265 -2.207 -7.987 14.312 1.00 38.18 C +ATOM 1962 CG ASN A 265 -1.839 -9.417 14.595 1.00 39.25 C +ATOM 1963 OD1 ASN A 265 -0.704 -9.739 14.955 1.00 38.92 O +ATOM 1964 ND2 ASN A 265 -2.815 -10.313 14.436 1.00 37.47 N +ATOM 1965 N GLU A 266 -2.593 -4.999 15.098 1.00 38.21 N +ATOM 1966 CA GLU A 266 -3.185 -3.722 14.771 1.00 40.03 C +ATOM 1967 C GLU A 266 -2.347 -2.494 15.023 1.00 36.38 C +ATOM 1968 O GLU A 266 -2.715 -1.424 14.507 1.00 37.94 O +ATOM 1969 CB GLU A 266 -4.545 -3.578 15.486 1.00 41.77 C +ATOM 1970 CG GLU A 266 -5.523 -4.686 15.116 1.00 45.76 C +ATOM 1971 CD GLU A 266 -5.912 -4.647 13.652 1.00 48.36 C +ATOM 1972 OE1 GLU A 266 -6.349 -3.574 13.182 1.00 51.06 O +ATOM 1973 OE2 GLU A 266 -5.783 -5.683 12.968 1.00 49.02 O +ATOM 1974 N LEU A 267 -1.256 -2.565 15.781 1.00 33.11 N +ATOM 1975 CA LEU A 267 -0.451 -1.377 16.030 1.00 31.84 C +ATOM 1976 C LEU A 267 0.155 -0.837 14.734 1.00 34.91 C +ATOM 1977 O LEU A 267 0.564 -1.610 13.875 1.00 40.87 O +ATOM 1978 CB LEU A 267 0.661 -1.603 17.034 1.00 30.97 C +ATOM 1979 CG LEU A 267 0.342 -1.563 18.528 1.00 28.45 C +ATOM 1980 CD1 LEU A 267 1.598 -1.856 19.336 1.00 27.78 C +ATOM 1981 CD2 LEU A 267 -0.221 -0.203 18.928 1.00 28.55 C +ATOM 1982 N THR A 268 0.249 0.478 14.642 1.00 29.93 N +ATOM 1983 CA THR A 268 0.829 1.145 13.483 1.00 36.07 C +ATOM 1984 C THR A 268 1.371 2.513 13.900 1.00 28.47 C +ATOM 1985 O THR A 268 0.930 3.066 14.918 1.00 28.84 O +ATOM 1986 CB THR A 268 -0.152 1.357 12.313 1.00 35.33 C +ATOM 1987 OG1 THR A 268 -1.162 2.299 12.677 1.00 34.73 O +ATOM 1988 CG2 THR A 268 -0.818 0.070 11.880 1.00 36.36 C +ATOM 1989 N HIS A 269 2.298 3.055 13.127 1.00 28.78 N +ATOM 1990 CA HIS A 269 2.856 4.364 13.436 1.00 30.18 C +ATOM 1991 C HIS A 269 1.799 5.459 13.425 1.00 30.85 C +ATOM 1992 O HIS A 269 1.857 6.374 14.258 1.00 32.13 O +ATOM 1993 CB HIS A 269 3.998 4.720 12.478 1.00 31.00 C +ATOM 1994 CG HIS A 269 4.662 6.021 12.820 1.00 30.54 C +ATOM 1995 ND1 HIS A 269 4.924 6.996 11.880 1.00 32.48 N +ATOM 1996 CD2 HIS A 269 5.108 6.507 14.002 1.00 30.48 C +ATOM 1997 CE1 HIS A 269 5.507 8.024 12.466 1.00 31.75 C +ATOM 1998 NE2 HIS A 269 5.631 7.753 13.756 1.00 33.27 N +ATOM 1999 N ASP A 270 0.842 5.400 12.500 1.00 34.42 N +ATOM 2000 CA ASP A 270 -0.195 6.433 12.450 1.00 38.34 C +ATOM 2001 C ASP A 270 -1.047 6.415 13.719 1.00 32.54 C +ATOM 2002 O ASP A 270 -1.397 7.465 14.252 1.00 35.38 O +ATOM 2003 CB ASP A 270 -1.091 6.297 11.223 1.00 39.39 C +ATOM 2004 CG ASP A 270 -2.054 7.467 11.100 1.00 42.82 C +ATOM 2005 OD1 ASP A 270 -1.590 8.630 11.103 1.00 43.22 O +ATOM 2006 OD2 ASP A 270 -3.275 7.229 11.001 1.00 45.80 O +ATOM 2007 N ILE A 271 -1.381 5.222 14.188 1.00 32.75 N +ATOM 2008 CA ILE A 271 -2.186 5.087 15.404 1.00 34.84 C +ATOM 2009 C ILE A 271 -1.452 5.655 16.608 1.00 31.74 C +ATOM 2010 O ILE A 271 -2.048 6.324 17.457 1.00 35.69 O +ATOM 2011 CB ILE A 271 -2.578 3.621 15.633 1.00 37.21 C +ATOM 2012 CG1 ILE A 271 -3.795 3.262 14.765 1.00 38.86 C +ATOM 2013 CG2 ILE A 271 -2.864 3.352 17.100 1.00 36.70 C +ATOM 2014 CD1 ILE A 271 -4.023 1.761 14.641 1.00 36.58 C +ATOM 2015 N ILE A 272 -0.146 5.430 16.684 1.00 30.16 N +ATOM 2016 CA ILE A 272 0.673 5.927 17.783 1.00 29.66 C +ATOM 2017 C ILE A 272 0.825 7.436 17.747 1.00 29.56 C +ATOM 2018 O ILE A 272 0.744 8.115 18.783 1.00 27.63 O +ATOM 2019 CB ILE A 272 2.041 5.220 17.810 1.00 30.72 C +ATOM 2020 CG1 ILE A 272 1.900 3.827 18.439 1.00 30.47 C +ATOM 2021 CG2 ILE A 272 3.055 6.049 18.583 1.00 30.96 C +ATOM 2022 CD1 ILE A 272 2.699 2.743 17.737 1.00 32.59 C +ATOM 2023 N THR A 273 1.006 7.997 16.560 1.00 28.82 N +ATOM 2024 CA THR A 273 1.137 9.445 16.389 1.00 31.10 C +ATOM 2025 C THR A 273 -0.114 10.150 16.911 1.00 28.87 C +ATOM 2026 O THR A 273 -0.053 11.177 17.579 1.00 32.94 O +ATOM 2027 CB THR A 273 1.316 9.777 14.892 1.00 31.55 C +ATOM 2028 OG1 THR A 273 2.533 9.170 14.440 1.00 35.12 O +ATOM 2029 CG2 THR A 273 1.358 11.273 14.659 1.00 31.53 C +ATOM 2030 N LYS A 274 -1.256 9.557 16.609 1.00 31.22 N +ATOM 2031 CA LYS A 274 -2.555 10.070 17.038 1.00 35.19 C +ATOM 2032 C LYS A 274 -2.650 10.110 18.555 1.00 35.08 C +ATOM 2033 O LYS A 274 -3.112 11.092 19.143 1.00 32.83 O +ATOM 2034 CB LYS A 274 -3.649 9.183 16.445 1.00 36.12 C +ATOM 2035 CG LYS A 274 -5.058 9.466 16.897 1.00 39.20 C +ATOM 2036 CD LYS A 274 -6.062 8.597 16.137 1.00 39.28 C +ATOM 2037 CE LYS A 274 -7.479 8.887 16.612 1.00 40.85 C +ATOM 2038 NZ LYS A 274 -8.492 8.134 15.823 1.00 42.76 N +ATOM 2039 N PHE A 275 -2.194 9.035 19.203 1.00 30.07 N +ATOM 2040 CA PHE A 275 -2.229 8.972 20.660 1.00 30.84 C +ATOM 2041 C PHE A 275 -1.385 10.095 21.256 1.00 31.60 C +ATOM 2042 O PHE A 275 -1.804 10.773 22.188 1.00 31.09 O +ATOM 2043 CB PHE A 275 -1.735 7.624 21.174 1.00 30.38 C +ATOM 2044 CG PHE A 275 -2.722 6.501 21.040 1.00 30.34 C +ATOM 2045 CD1 PHE A 275 -3.992 6.606 21.577 1.00 30.69 C +ATOM 2046 CD2 PHE A 275 -2.374 5.335 20.377 1.00 30.89 C +ATOM 2047 CE1 PHE A 275 -4.902 5.573 21.457 1.00 31.25 C +ATOM 2048 CE2 PHE A 275 -3.279 4.298 20.252 1.00 31.60 C +ATOM 2049 CZ PHE A 275 -4.544 4.418 20.792 1.00 31.65 C +ATOM 2050 N LEU A 276 -0.191 10.285 20.699 1.00 31.49 N +ATOM 2051 CA LEU A 276 0.716 11.314 21.185 1.00 31.26 C +ATOM 2052 C LEU A 276 0.161 12.717 20.993 1.00 32.81 C +ATOM 2053 O LEU A 276 0.554 13.632 21.721 1.00 33.24 O +ATOM 2054 CB LEU A 276 2.084 11.188 20.505 1.00 30.36 C +ATOM 2055 CG LEU A 276 2.847 9.891 20.809 1.00 30.28 C +ATOM 2056 CD1 LEU A 276 4.015 9.723 19.849 1.00 29.44 C +ATOM 2057 CD2 LEU A 276 3.322 9.887 22.256 1.00 29.06 C +ATOM 2058 N GLU A 277 -0.747 12.891 20.039 1.00 33.66 N +ATOM 2059 CA GLU A 277 -1.339 14.202 19.790 1.00 39.54 C +ATOM 2060 C GLU A 277 -2.398 14.531 20.836 1.00 40.31 C +ATOM 2061 O GLU A 277 -2.594 15.697 21.182 1.00 39.67 O +ATOM 2062 CB GLU A 277 -1.911 14.277 18.371 1.00 39.15 C +ATOM 2063 CG GLU A 277 -0.898 13.941 17.291 1.00 41.55 C +ATOM 2064 CD GLU A 277 -1.381 14.086 15.870 1.00 41.94 C +ATOM 2065 OE1 GLU A 277 -2.549 13.765 15.567 1.00 42.53 O +ATOM 2066 OE2 GLU A 277 -0.577 14.529 15.008 1.00 42.13 O +ATOM 2067 N ASN A 278 -3.071 13.511 21.357 1.00 38.06 N +ATOM 2068 CA ASN A 278 -4.111 13.698 22.364 1.00 39.64 C +ATOM 2069 C ASN A 278 -3.532 14.098 23.713 1.00 38.64 C +ATOM 2070 O ASN A 278 -2.585 13.484 24.210 1.00 41.47 O +ATOM 2071 CB ASN A 278 -4.967 12.437 22.499 1.00 39.13 C +ATOM 2072 CG ASN A 278 -5.915 12.473 23.678 1.00 42.02 C +ATOM 2073 OD1 ASN A 278 -5.730 11.758 24.669 1.00 40.42 O +ATOM 2074 ND2 ASN A 278 -6.950 13.302 23.602 1.00 42.19 N +ATOM 2075 N GLU A 279 -4.104 15.137 24.318 1.00 39.19 N +ATOM 2076 CA GLU A 279 -3.636 15.617 25.609 1.00 43.98 C +ATOM 2077 C GLU A 279 -4.731 15.553 26.668 1.00 39.27 C +ATOM 2078 O GLU A 279 -4.533 16.049 27.778 1.00 46.00 O +ATOM 2079 CB GLU A 279 -3.147 17.064 25.504 1.00 45.60 C +ATOM 2080 CG GLU A 279 -2.014 17.253 24.514 1.00 51.12 C +ATOM 2081 CD GLU A 279 -0.671 16.870 25.103 1.00 55.35 C +ATOM 2082 OE1 GLU A 279 -0.459 15.670 25.381 1.00 56.51 O +ATOM 2083 OE2 GLU A 279 0.169 17.777 25.281 1.00 57.55 O +ATOM 2084 N ASP A 280 -5.869 14.970 26.315 1.00 35.53 N +ATOM 2085 CA ASP A 280 -6.981 14.877 27.251 1.00 35.94 C +ATOM 2086 C ASP A 280 -6.650 13.971 28.426 1.00 35.18 C +ATOM 2087 O ASP A 280 -5.934 12.977 28.295 1.00 30.71 O +ATOM 2088 CB ASP A 280 -8.249 14.394 26.540 1.00 38.45 C +ATOM 2089 CG ASP A 280 -8.736 15.433 25.539 1.00 41.49 C +ATOM 2090 OD1 ASP A 280 -8.611 16.636 25.847 1.00 42.94 O +ATOM 2091 OD2 ASP A 280 -9.226 15.044 24.465 1.00 43.51 O +ATOM 2092 N ARG A 281 -7.181 14.339 29.587 1.00 30.94 N +ATOM 2093 CA ARG A 281 -6.982 13.571 30.806 1.00 29.44 C +ATOM 2094 C ARG A 281 -8.338 13.304 31.468 1.00 30.40 C +ATOM 2095 O ARG A 281 -9.273 14.089 31.331 1.00 23.31 O +ATOM 2096 CB ARG A 281 -6.080 14.304 31.789 1.00 30.09 C +ATOM 2097 CG ARG A 281 -4.599 14.293 31.470 1.00 29.31 C +ATOM 2098 CD ARG A 281 -3.829 15.186 32.442 1.00 29.46 C +ATOM 2099 NE ARG A 281 -2.445 15.353 32.029 1.00 29.71 N +ATOM 2100 CZ ARG A 281 -1.466 14.481 32.247 1.00 29.21 C +ATOM 2101 NH1 ARG A 281 -1.695 13.346 32.897 1.00 25.19 N +ATOM 2102 NH2 ARG A 281 -0.244 14.765 31.809 1.00 27.08 N +ATOM 2103 N ARG A 282 -8.418 12.191 32.174 1.00 31.54 N +ATOM 2104 CA ARG A 282 -9.633 11.815 32.888 1.00 30.31 C +ATOM 2105 C ARG A 282 -9.208 11.111 34.177 1.00 32.22 C +ATOM 2106 O ARG A 282 -8.077 10.616 34.244 1.00 23.60 O +ATOM 2107 CB ARG A 282 -10.594 11.011 32.062 1.00 33.23 C +ATOM 2108 CG ARG A 282 -10.255 9.558 31.762 1.00 36.22 C +ATOM 2109 CD ARG A 282 -11.485 8.690 31.983 1.00 39.61 C +ATOM 2110 NE ARG A 282 -11.610 7.557 31.106 1.00 42.55 N +ATOM 2111 CZ ARG A 282 -11.462 7.534 29.789 1.00 42.02 C +ATOM 2112 NH1 ARG A 282 -11.153 8.634 29.121 1.00 42.65 N +ATOM 2113 NH2 ARG A 282 -11.619 6.395 29.126 1.00 42.25 N +ATOM 2114 N SER A 283 -10.079 11.119 35.183 1.00 26.24 N +ATOM 2115 CA SER A 283 -9.725 10.483 36.446 1.00 27.64 C +ATOM 2116 C SER A 283 -9.762 8.962 36.281 1.00 25.88 C +ATOM 2117 O SER A 283 -10.542 8.434 35.500 1.00 25.40 O +ATOM 2118 CB SER A 283 -10.635 10.909 37.587 1.00 28.57 C +ATOM 2119 OG SER A 283 -11.953 10.433 37.406 1.00 31.78 O +ATOM 2120 N ALA A 284 -8.874 8.302 37.007 1.00 25.05 N +ATOM 2121 CA ALA A 284 -8.789 6.856 37.002 1.00 24.73 C +ATOM 2122 C ALA A 284 -7.955 6.374 38.189 1.00 22.29 C +ATOM 2123 O ALA A 284 -7.097 7.109 38.668 1.00 22.19 O +ATOM 2124 CB ALA A 284 -8.141 6.373 35.702 1.00 21.03 C +ATOM 2125 N SER A 285 -8.230 5.162 38.644 1.00 21.32 N +ATOM 2126 CA SER A 285 -7.408 4.547 39.687 1.00 23.03 C +ATOM 2127 C SER A 285 -6.486 3.570 38.926 1.00 23.23 C +ATOM 2128 O SER A 285 -6.965 2.518 38.516 1.00 24.75 O +ATOM 2129 CB SER A 285 -8.209 3.770 40.717 1.00 23.52 C +ATOM 2130 OG SER A 285 -8.826 4.639 41.641 1.00 29.12 O +ATOM 2131 N LEU A 286 -5.245 3.974 38.750 1.00 23.05 N +ATOM 2132 CA LEU A 286 -4.290 3.183 38.004 1.00 23.42 C +ATOM 2133 C LEU A 286 -3.401 2.309 38.881 1.00 20.59 C +ATOM 2134 O LEU A 286 -2.800 2.747 39.843 1.00 18.89 O +ATOM 2135 CB LEU A 286 -3.402 4.114 37.152 1.00 21.31 C +ATOM 2136 CG LEU A 286 -2.180 3.461 36.492 1.00 21.25 C +ATOM 2137 CD1 LEU A 286 -2.607 2.496 35.391 1.00 18.37 C +ATOM 2138 CD2 LEU A 286 -1.253 4.536 35.927 1.00 21.53 C +ATOM 2139 N HIS A 287 -3.288 1.053 38.468 1.00 18.66 N +ATOM 2140 CA HIS A 287 -2.417 0.083 39.141 1.00 24.13 C +ATOM 2141 C HIS A 287 -1.335 -0.312 38.121 1.00 21.06 C +ATOM 2142 O HIS A 287 -1.670 -0.832 37.067 1.00 20.75 O +ATOM 2143 CB HIS A 287 -3.247 -1.111 39.568 1.00 24.00 C +ATOM 2144 CG HIS A 287 -4.249 -0.866 40.653 1.00 27.68 C +ATOM 2145 ND1 HIS A 287 -5.228 0.104 40.589 1.00 30.05 N +ATOM 2146 CD2 HIS A 287 -4.424 -1.495 41.840 1.00 26.30 C +ATOM 2147 CE1 HIS A 287 -5.959 0.074 41.688 1.00 27.84 C +ATOM 2148 NE2 HIS A 287 -5.493 -0.883 42.466 1.00 31.07 N +ATOM 2149 N LEU A 288 -0.087 0.027 38.401 1.00 24.24 N +ATOM 2150 CA LEU A 288 1.002 -0.241 37.467 1.00 27.09 C +ATOM 2151 C LEU A 288 2.149 -0.911 38.215 1.00 24.42 C +ATOM 2152 O LEU A 288 2.608 -0.411 39.237 1.00 21.02 O +ATOM 2153 CB LEU A 288 1.505 1.053 36.808 1.00 23.32 C +ATOM 2154 CG LEU A 288 2.628 0.912 35.773 1.00 27.63 C +ATOM 2155 CD1 LEU A 288 2.075 0.390 34.443 1.00 25.55 C +ATOM 2156 CD2 LEU A 288 3.336 2.240 35.548 1.00 22.46 C +ATOM 2157 N PRO A 289 2.605 -2.036 37.694 1.00 25.84 N +ATOM 2158 CA PRO A 289 3.648 -2.812 38.324 1.00 29.75 C +ATOM 2159 C PRO A 289 4.984 -2.117 38.413 1.00 27.31 C +ATOM 2160 O PRO A 289 5.447 -1.445 37.491 1.00 32.45 O +ATOM 2161 CB PRO A 289 3.725 -4.085 37.484 1.00 29.83 C +ATOM 2162 CG PRO A 289 3.185 -3.672 36.150 1.00 34.91 C +ATOM 2163 CD PRO A 289 2.071 -2.700 36.482 1.00 28.83 C +ATOM 2164 N LYS A 290 5.637 -2.296 39.550 1.00 27.67 N +ATOM 2165 CA LYS A 290 6.980 -1.767 39.801 1.00 33.63 C +ATOM 2166 C LYS A 290 7.944 -2.888 39.385 1.00 42.51 C +ATOM 2167 O LYS A 290 8.036 -3.876 40.119 1.00 43.19 O +ATOM 2168 CB LYS A 290 7.164 -1.472 41.284 1.00 36.91 C +ATOM 2169 CG LYS A 290 8.587 -1.208 41.729 1.00 38.81 C +ATOM 2170 CD LYS A 290 8.641 -0.862 43.219 1.00 36.31 C +ATOM 2171 CE LYS A 290 10.072 -0.650 43.677 1.00 37.17 C +ATOM 2172 NZ LYS A 290 10.148 0.171 44.922 1.00 43.48 N +ATOM 2173 N LEU A 291 8.594 -2.747 38.230 1.00 41.26 N +ATOM 2174 CA LEU A 291 9.475 -3.824 37.814 1.00 44.21 C +ATOM 2175 C LEU A 291 10.780 -3.414 37.174 1.00 42.46 C +ATOM 2176 O LEU A 291 11.147 -2.266 36.948 1.00 29.23 O +ATOM 2177 CB LEU A 291 8.707 -4.775 36.872 1.00 46.05 C +ATOM 2178 CG LEU A 291 8.361 -4.191 35.498 1.00 46.96 C +ATOM 2179 CD1 LEU A 291 7.048 -4.762 34.990 1.00 46.04 C +ATOM 2180 CD2 LEU A 291 8.318 -2.676 35.567 1.00 49.05 C +ATOM 2181 N SER A 292 11.540 -4.469 36.874 1.00 42.19 N +ATOM 2182 CA SER A 292 12.840 -4.364 36.236 1.00 46.22 C +ATOM 2183 C SER A 292 12.983 -5.563 35.292 1.00 45.42 C +ATOM 2184 O SER A 292 13.028 -6.703 35.745 1.00 44.67 O +ATOM 2185 CB SER A 292 13.967 -4.349 37.257 1.00 47.25 C +ATOM 2186 OG SER A 292 15.194 -3.960 36.653 1.00 51.41 O +ATOM 2187 N ILE A 293 12.956 -5.279 34.000 1.00 45.76 N +ATOM 2188 CA ILE A 293 13.075 -6.330 33.001 1.00 42.26 C +ATOM 2189 C ILE A 293 14.295 -6.052 32.121 1.00 40.24 C +ATOM 2190 O ILE A 293 14.801 -4.934 32.086 1.00 35.51 O +ATOM 2191 CB ILE A 293 11.831 -6.459 32.119 1.00 43.80 C +ATOM 2192 CG1 ILE A 293 11.581 -5.171 31.325 1.00 43.00 C +ATOM 2193 CG2 ILE A 293 10.604 -6.818 32.944 1.00 43.50 C +ATOM 2194 CD1 ILE A 293 10.533 -5.344 30.239 1.00 43.73 C +ATOM 2195 N THR A 294 14.746 -7.090 31.437 1.00 40.82 N +ATOM 2196 CA THR A 294 15.896 -6.973 30.555 1.00 41.92 C +ATOM 2197 C THR A 294 15.647 -7.759 29.268 1.00 39.76 C +ATOM 2198 O THR A 294 14.862 -8.701 29.249 1.00 40.60 O +ATOM 2199 CB THR A 294 17.177 -7.517 31.214 1.00 42.11 C +ATOM 2200 OG1 THR A 294 17.037 -8.934 31.394 1.00 43.25 O +ATOM 2201 CG2 THR A 294 17.402 -6.860 32.565 1.00 43.75 C +ATOM 2202 N GLY A 295 16.321 -7.339 28.213 1.00 36.02 N +ATOM 2203 CA GLY A 295 16.224 -8.015 26.918 1.00 31.19 C +ATOM 2204 C GLY A 295 17.666 -8.168 26.396 1.00 26.27 C +ATOM 2205 O GLY A 295 18.379 -7.170 26.330 1.00 29.49 O +ATOM 2206 N THR A 296 18.054 -9.388 26.088 1.00 27.98 N +ATOM 2207 CA THR A 296 19.399 -9.651 25.570 1.00 33.86 C +ATOM 2208 C THR A 296 19.248 -10.403 24.245 1.00 32.04 C +ATOM 2209 O THR A 296 18.649 -11.480 24.227 1.00 34.24 O +ATOM 2210 CB THR A 296 20.262 -10.469 26.534 1.00 34.36 C +ATOM 2211 OG1 THR A 296 20.348 -9.811 27.806 1.00 34.60 O +ATOM 2212 CG2 THR A 296 21.675 -10.643 25.986 1.00 33.20 C +ATOM 2213 N TYR A 297 19.752 -9.825 23.160 1.00 31.22 N +ATOM 2214 CA TYR A 297 19.597 -10.454 21.865 1.00 32.37 C +ATOM 2215 C TYR A 297 20.863 -10.602 21.048 1.00 29.76 C +ATOM 2216 O TYR A 297 21.778 -9.789 21.085 1.00 24.41 O +ATOM 2217 CB TYR A 297 18.568 -9.627 21.034 1.00 31.53 C +ATOM 2218 CG TYR A 297 17.278 -9.468 21.818 1.00 31.23 C +ATOM 2219 CD1 TYR A 297 16.304 -10.453 21.778 1.00 29.65 C +ATOM 2220 CD2 TYR A 297 17.056 -8.343 22.598 1.00 28.84 C +ATOM 2221 CE1 TYR A 297 15.130 -10.322 22.495 1.00 30.24 C +ATOM 2222 CE2 TYR A 297 15.884 -8.201 23.317 1.00 29.00 C +ATOM 2223 CZ TYR A 297 14.928 -9.191 23.262 1.00 29.66 C +ATOM 2224 OH TYR A 297 13.759 -9.055 23.977 1.00 28.32 O +ATOM 2225 N ASP A 298 20.876 -11.689 20.274 1.00 30.61 N +ATOM 2226 CA ASP A 298 21.995 -11.954 19.355 1.00 30.28 C +ATOM 2227 C ASP A 298 21.567 -11.325 18.021 1.00 24.77 C +ATOM 2228 O ASP A 298 20.696 -11.874 17.349 1.00 29.37 O +ATOM 2229 CB ASP A 298 22.229 -13.448 19.207 1.00 31.39 C +ATOM 2230 CG ASP A 298 23.229 -13.798 18.117 1.00 30.67 C +ATOM 2231 OD1 ASP A 298 23.781 -12.886 17.476 1.00 26.77 O +ATOM 2232 OD2 ASP A 298 23.462 -15.005 17.904 1.00 32.64 O +ATOM 2233 N LEU A 299 22.096 -10.152 17.715 1.00 18.07 N +ATOM 2234 CA LEU A 299 21.734 -9.410 16.527 1.00 21.61 C +ATOM 2235 C LEU A 299 22.044 -10.135 15.230 1.00 24.63 C +ATOM 2236 O LEU A 299 21.371 -9.887 14.215 1.00 27.41 O +ATOM 2237 CB LEU A 299 22.381 -8.018 16.537 1.00 20.98 C +ATOM 2238 CG LEU A 299 21.955 -7.103 17.697 1.00 22.83 C +ATOM 2239 CD1 LEU A 299 22.771 -5.821 17.705 1.00 22.73 C +ATOM 2240 CD2 LEU A 299 20.469 -6.786 17.616 1.00 21.27 C +ATOM 2241 N LYS A 300 23.037 -11.017 15.224 1.00 27.80 N +ATOM 2242 CA LYS A 300 23.356 -11.747 13.986 1.00 28.57 C +ATOM 2243 C LYS A 300 22.153 -12.612 13.605 1.00 29.73 C +ATOM 2244 O LYS A 300 21.748 -12.686 12.453 1.00 33.26 O +ATOM 2245 CB LYS A 300 24.591 -12.620 14.152 1.00 32.19 C +ATOM 2246 CG LYS A 300 24.881 -13.517 12.951 1.00 34.93 C +ATOM 2247 CD LYS A 300 26.153 -14.321 13.156 1.00 37.44 C +ATOM 2248 CE LYS A 300 26.538 -15.073 11.888 1.00 39.78 C +ATOM 2249 NZ LYS A 300 27.717 -15.959 12.109 1.00 41.22 N +ATOM 2250 N SER A 301 21.584 -13.248 14.624 1.00 26.19 N +ATOM 2251 CA SER A 301 20.428 -14.110 14.468 1.00 27.59 C +ATOM 2252 C SER A 301 19.164 -13.310 14.180 1.00 30.18 C +ATOM 2253 O SER A 301 18.460 -13.558 13.206 1.00 27.85 O +ATOM 2254 CB SER A 301 20.238 -14.935 15.752 1.00 29.37 C +ATOM 2255 OG SER A 301 19.007 -15.634 15.734 1.00 31.18 O +ATOM 2256 N VAL A 302 18.878 -12.331 15.038 1.00 30.70 N +ATOM 2257 CA VAL A 302 17.683 -11.516 14.903 1.00 28.13 C +ATOM 2258 C VAL A 302 17.656 -10.671 13.649 1.00 26.89 C +ATOM 2259 O VAL A 302 16.660 -10.696 12.913 1.00 22.21 O +ATOM 2260 CB VAL A 302 17.477 -10.626 16.151 1.00 28.87 C +ATOM 2261 CG1 VAL A 302 16.398 -9.590 15.891 1.00 29.70 C +ATOM 2262 CG2 VAL A 302 17.102 -11.505 17.340 1.00 32.25 C +ATOM 2263 N LEU A 303 18.719 -9.916 13.376 1.00 23.35 N +ATOM 2264 CA LEU A 303 18.747 -9.080 12.173 1.00 24.64 C +ATOM 2265 C LEU A 303 18.887 -9.965 10.934 1.00 24.20 C +ATOM 2266 O LEU A 303 18.603 -9.544 9.813 1.00 20.05 O +ATOM 2267 CB LEU A 303 19.860 -8.048 12.240 1.00 24.89 C +ATOM 2268 CG LEU A 303 19.870 -7.124 13.462 1.00 26.67 C +ATOM 2269 CD1 LEU A 303 21.042 -6.161 13.391 1.00 28.81 C +ATOM 2270 CD2 LEU A 303 18.550 -6.371 13.566 1.00 27.35 C +ATOM 2271 N GLY A 304 19.330 -11.193 11.165 1.00 27.62 N +ATOM 2272 CA GLY A 304 19.468 -12.156 10.058 1.00 30.72 C +ATOM 2273 C GLY A 304 18.060 -12.414 9.501 1.00 34.04 C +ATOM 2274 O GLY A 304 17.846 -12.407 8.297 1.00 34.91 O +ATOM 2275 N GLN A 305 17.111 -12.604 10.414 1.00 34.36 N +ATOM 2276 CA GLN A 305 15.725 -12.845 10.032 1.00 35.84 C +ATOM 2277 C GLN A 305 15.099 -11.624 9.376 1.00 39.37 C +ATOM 2278 O GLN A 305 14.014 -11.705 8.796 1.00 43.07 O +ATOM 2279 CB GLN A 305 14.907 -13.295 11.243 1.00 38.53 C +ATOM 2280 CG GLN A 305 15.426 -14.572 11.889 1.00 40.58 C +ATOM 2281 CD GLN A 305 15.471 -15.726 10.910 1.00 43.36 C +ATOM 2282 OE1 GLN A 305 14.441 -16.295 10.547 1.00 45.01 O +ATOM 2283 NE2 GLN A 305 16.672 -16.084 10.468 1.00 45.72 N +ATOM 2284 N LEU A 306 15.782 -10.484 9.440 1.00 36.67 N +ATOM 2285 CA LEU A 306 15.294 -9.264 8.809 1.00 34.24 C +ATOM 2286 C LEU A 306 16.013 -8.994 7.494 1.00 33.26 C +ATOM 2287 O LEU A 306 15.847 -7.937 6.888 1.00 34.29 O +ATOM 2288 CB LEU A 306 15.427 -8.068 9.752 1.00 33.48 C +ATOM 2289 CG LEU A 306 14.510 -8.096 10.982 1.00 34.45 C +ATOM 2290 CD1 LEU A 306 14.721 -6.862 11.842 1.00 32.21 C +ATOM 2291 CD2 LEU A 306 13.059 -8.236 10.550 1.00 34.53 C +ATOM 2292 N GLY A 307 16.827 -9.950 7.045 1.00 33.93 N +ATOM 2293 CA GLY A 307 17.558 -9.842 5.811 1.00 34.48 C +ATOM 2294 C GLY A 307 18.967 -9.307 5.902 1.00 32.70 C +ATOM 2295 O GLY A 307 19.607 -9.103 4.856 1.00 37.73 O +ATOM 2296 N ILE A 308 19.488 -9.056 7.095 1.00 31.88 N +ATOM 2297 CA ILE A 308 20.860 -8.539 7.227 1.00 32.82 C +ATOM 2298 C ILE A 308 21.810 -9.705 7.449 1.00 31.76 C +ATOM 2299 O ILE A 308 22.029 -10.096 8.594 1.00 34.58 O +ATOM 2300 CB ILE A 308 20.966 -7.534 8.381 1.00 31.73 C +ATOM 2301 CG1 ILE A 308 19.940 -6.409 8.184 1.00 30.98 C +ATOM 2302 CG2 ILE A 308 22.369 -6.939 8.468 1.00 30.64 C +ATOM 2303 CD1 ILE A 308 20.003 -5.335 9.244 1.00 28.89 C +ATOM 2304 N THR A 309 22.332 -10.291 6.360 1.00 30.02 N +ATOM 2305 CA THR A 309 23.191 -11.454 6.517 1.00 29.93 C +ATOM 2306 C THR A 309 24.603 -11.321 6.002 1.00 30.76 C +ATOM 2307 O THR A 309 25.516 -11.926 6.598 1.00 34.20 O +ATOM 2308 CB THR A 309 22.518 -12.710 5.918 1.00 32.62 C +ATOM 2309 OG1 THR A 309 22.649 -12.720 4.499 1.00 34.02 O +ATOM 2310 CG2 THR A 309 21.030 -12.724 6.270 1.00 31.00 C +ATOM 2311 N LYS A 310 24.861 -10.569 4.946 1.00 33.18 N +ATOM 2312 CA LYS A 310 26.190 -10.438 4.379 1.00 35.26 C +ATOM 2313 C LYS A 310 27.242 -9.830 5.271 1.00 35.54 C +ATOM 2314 O LYS A 310 28.397 -10.300 5.263 1.00 30.78 O +ATOM 2315 CB LYS A 310 26.140 -9.713 3.022 1.00 33.62 C +ATOM 2316 CG LYS A 310 25.921 -10.687 1.869 1.00 36.10 C +ATOM 2317 CD LYS A 310 26.083 -10.017 0.515 1.00 39.20 C +ATOM 2318 CE LYS A 310 25.981 -11.042 -0.609 1.00 40.72 C +ATOM 2319 NZ LYS A 310 26.029 -10.399 -1.950 1.00 43.69 N +ATOM 2320 N VAL A 311 26.910 -8.797 6.038 1.00 31.37 N +ATOM 2321 CA VAL A 311 27.889 -8.171 6.921 1.00 28.32 C +ATOM 2322 C VAL A 311 28.412 -9.173 7.941 1.00 30.54 C +ATOM 2323 O VAL A 311 29.505 -9.009 8.487 1.00 32.12 O +ATOM 2324 CB VAL A 311 27.329 -6.927 7.617 1.00 30.73 C +ATOM 2325 CG1 VAL A 311 26.432 -7.298 8.788 1.00 29.44 C +ATOM 2326 CG2 VAL A 311 28.456 -6.004 8.060 1.00 30.63 C +ATOM 2327 N PHE A 312 27.653 -10.238 8.177 1.00 27.41 N +ATOM 2328 CA PHE A 312 28.025 -11.270 9.122 1.00 26.77 C +ATOM 2329 C PHE A 312 28.656 -12.488 8.450 1.00 27.72 C +ATOM 2330 O PHE A 312 28.927 -13.484 9.137 1.00 29.80 O +ATOM 2331 CB PHE A 312 26.798 -11.751 9.914 1.00 26.92 C +ATOM 2332 CG PHE A 312 26.105 -10.680 10.707 1.00 27.35 C +ATOM 2333 CD1 PHE A 312 26.692 -10.151 11.843 1.00 26.88 C +ATOM 2334 CD2 PHE A 312 24.861 -10.210 10.320 1.00 28.00 C +ATOM 2335 CE1 PHE A 312 26.052 -9.168 12.579 1.00 27.48 C +ATOM 2336 CE2 PHE A 312 24.213 -9.228 11.052 1.00 26.74 C +ATOM 2337 CZ PHE A 312 24.814 -8.710 12.180 1.00 27.41 C +ATOM 2338 N SER A 313 28.865 -12.435 7.144 1.00 28.71 N +ATOM 2339 CA SER A 313 29.418 -13.565 6.416 1.00 34.83 C +ATOM 2340 C SER A 313 30.749 -13.292 5.737 1.00 30.78 C +ATOM 2341 O SER A 313 31.203 -12.161 5.596 1.00 33.18 O +ATOM 2342 CB SER A 313 28.409 -14.023 5.338 1.00 34.56 C +ATOM 2343 OG SER A 313 28.553 -13.200 4.182 1.00 37.02 O +ATOM 2344 N ASN A 314 31.384 -14.377 5.277 1.00 35.44 N +ATOM 2345 CA ASN A 314 32.668 -14.299 4.599 1.00 34.15 C +ATOM 2346 C ASN A 314 32.645 -13.402 3.378 1.00 36.20 C +ATOM 2347 O ASN A 314 33.693 -12.906 2.943 1.00 41.99 O +ATOM 2348 CB ASN A 314 33.151 -15.707 4.218 1.00 33.37 C +ATOM 2349 CG ASN A 314 33.395 -16.558 5.445 1.00 32.68 C +ATOM 2350 OD1 ASN A 314 33.848 -16.051 6.479 1.00 36.76 O +ATOM 2351 ND2 ASN A 314 33.095 -17.841 5.370 1.00 32.56 N +ATOM 2352 N GLY A 315 31.467 -13.161 2.809 1.00 39.03 N +ATOM 2353 CA GLY A 315 31.377 -12.298 1.629 1.00 39.00 C +ATOM 2354 C GLY A 315 31.258 -10.831 1.999 1.00 40.12 C +ATOM 2355 O GLY A 315 31.095 -9.970 1.125 1.00 36.91 O +ATOM 2356 N ALA A 316 31.334 -10.514 3.291 1.00 36.46 N +ATOM 2357 CA ALA A 316 31.178 -9.148 3.749 1.00 38.75 C +ATOM 2358 C ALA A 316 32.115 -8.156 3.081 1.00 39.55 C +ATOM 2359 O ALA A 316 33.335 -8.331 3.052 1.00 38.07 O +ATOM 2360 CB ALA A 316 31.345 -9.062 5.266 1.00 40.91 C +ATOM 2361 N ASP A 317 31.527 -7.080 2.559 1.00 34.81 N +ATOM 2362 CA ASP A 317 32.331 -6.024 1.943 1.00 36.51 C +ATOM 2363 C ASP A 317 32.502 -4.910 2.985 1.00 36.05 C +ATOM 2364 O ASP A 317 31.698 -3.988 3.050 1.00 34.33 O +ATOM 2365 CB ASP A 317 31.709 -5.479 0.672 1.00 37.11 C +ATOM 2366 CG ASP A 317 32.653 -4.556 -0.083 1.00 39.00 C +ATOM 2367 OD1 ASP A 317 33.479 -3.883 0.569 1.00 39.10 O +ATOM 2368 OD2 ASP A 317 32.564 -4.509 -1.326 1.00 39.80 O +ATOM 2369 N LEU A 318 33.517 -5.070 3.826 1.00 34.36 N +ATOM 2370 CA LEU A 318 33.791 -4.088 4.876 1.00 34.42 C +ATOM 2371 C LEU A 318 35.049 -3.299 4.525 1.00 36.44 C +ATOM 2372 O LEU A 318 35.830 -2.911 5.385 1.00 33.15 O +ATOM 2373 CB LEU A 318 33.930 -4.790 6.226 1.00 34.03 C +ATOM 2374 CG LEU A 318 32.608 -5.116 6.934 1.00 33.42 C +ATOM 2375 CD1 LEU A 318 32.724 -6.381 7.759 1.00 32.76 C +ATOM 2376 CD2 LEU A 318 32.181 -3.941 7.809 1.00 32.10 C +ATOM 2377 N SER A 319 35.204 -3.064 3.223 1.00 31.09 N +ATOM 2378 CA SER A 319 36.341 -2.354 2.679 1.00 36.99 C +ATOM 2379 C SER A 319 36.455 -0.932 3.198 1.00 39.55 C +ATOM 2380 O SER A 319 37.479 -0.270 2.995 1.00 41.58 O +ATOM 2381 CB SER A 319 36.272 -2.360 1.146 1.00 35.85 C +ATOM 2382 OG SER A 319 35.123 -1.655 0.693 1.00 38.56 O +ATOM 2383 N GLY A 320 35.414 -0.453 3.874 1.00 40.03 N +ATOM 2384 CA GLY A 320 35.460 0.913 4.427 1.00 32.62 C +ATOM 2385 C GLY A 320 36.081 0.834 5.831 1.00 24.36 C +ATOM 2386 O GLY A 320 36.453 1.845 6.407 1.00 35.32 O +ATOM 2387 N VAL A 321 36.151 -0.391 6.355 1.00 33.28 N +ATOM 2388 CA VAL A 321 36.728 -0.608 7.681 1.00 35.13 C +ATOM 2389 C VAL A 321 38.219 -0.943 7.568 1.00 35.60 C +ATOM 2390 O VAL A 321 39.075 -0.341 8.197 1.00 34.04 O +ATOM 2391 CB VAL A 321 36.044 -1.786 8.406 1.00 32.69 C +ATOM 2392 CG1 VAL A 321 36.650 -1.987 9.788 1.00 31.87 C +ATOM 2393 CG2 VAL A 321 34.549 -1.553 8.502 1.00 32.66 C +ATOM 2394 N THR A 322 38.484 -1.969 6.775 1.00 42.33 N +ATOM 2395 CA THR A 322 39.846 -2.450 6.530 1.00 44.49 C +ATOM 2396 C THR A 322 39.983 -2.607 5.015 1.00 44.95 C +ATOM 2397 O THR A 322 39.123 -3.206 4.366 1.00 45.44 O +ATOM 2398 CB THR A 322 40.155 -3.742 7.274 1.00 44.81 C +ATOM 2399 OG1 THR A 322 41.570 -3.825 7.525 1.00 46.04 O +ATOM 2400 CG2 THR A 322 39.714 -4.967 6.491 1.00 44.80 C +ATOM 2401 N GLU A 323 41.001 -1.993 4.450 1.00 46.35 N +ATOM 2402 CA GLU A 323 41.227 -1.950 3.029 1.00 51.65 C +ATOM 2403 C GLU A 323 41.769 -3.178 2.353 1.00 51.72 C +ATOM 2404 O GLU A 323 41.396 -3.415 1.185 1.00 53.92 O +ATOM 2405 CB GLU A 323 42.161 -0.751 2.730 1.00 52.32 C +ATOM 2406 CG GLU A 323 41.913 -0.131 1.365 1.00 54.96 C +ATOM 2407 CD GLU A 323 42.319 1.332 1.333 1.00 56.63 C +ATOM 2408 OE1 GLU A 323 41.806 2.097 2.179 1.00 56.45 O +ATOM 2409 OE2 GLU A 323 43.139 1.712 0.476 1.00 57.61 O +ATOM 2410 N GLU A 324 42.647 -3.957 2.974 1.00 49.96 N +ATOM 2411 CA GLU A 324 43.253 -5.086 2.292 1.00 49.82 C +ATOM 2412 C GLU A 324 42.928 -6.464 2.808 1.00 45.19 C +ATOM 2413 O GLU A 324 43.032 -7.429 2.023 1.00 40.61 O +ATOM 2414 CB GLU A 324 44.791 -4.909 2.291 1.00 52.03 C +ATOM 2415 CG GLU A 324 45.258 -3.687 1.524 1.00 55.47 C +ATOM 2416 CD GLU A 324 44.852 -3.714 0.065 1.00 57.83 C +ATOM 2417 OE1 GLU A 324 43.659 -3.483 -0.225 1.00 59.61 O +ATOM 2418 OE2 GLU A 324 45.721 -3.963 -0.798 1.00 58.71 O +ATOM 2419 N ALA A 325 42.579 -6.629 4.073 1.00 36.26 N +ATOM 2420 CA ALA A 325 42.300 -7.951 4.613 1.00 38.22 C +ATOM 2421 C ALA A 325 40.820 -8.281 4.720 1.00 38.37 C +ATOM 2422 O ALA A 325 39.980 -7.415 4.947 1.00 41.59 O +ATOM 2423 CB ALA A 325 42.964 -8.089 5.984 1.00 35.81 C +ATOM 2424 N PRO A 326 40.497 -9.561 4.563 1.00 36.20 N +ATOM 2425 CA PRO A 326 39.135 -10.049 4.677 1.00 36.17 C +ATOM 2426 C PRO A 326 38.580 -9.679 6.056 1.00 36.27 C +ATOM 2427 O PRO A 326 39.342 -9.618 7.023 1.00 29.46 O +ATOM 2428 CB PRO A 326 39.260 -11.559 4.553 1.00 32.28 C +ATOM 2429 CG PRO A 326 40.569 -11.793 3.888 1.00 37.81 C +ATOM 2430 CD PRO A 326 41.461 -10.657 4.303 1.00 37.21 C +ATOM 2431 N LEU A 327 37.280 -9.435 6.130 1.00 33.54 N +ATOM 2432 CA LEU A 327 36.668 -9.058 7.401 1.00 33.20 C +ATOM 2433 C LEU A 327 35.167 -9.313 7.395 1.00 32.07 C +ATOM 2434 O LEU A 327 34.509 -9.253 6.364 1.00 34.26 O +ATOM 2435 CB LEU A 327 36.941 -7.572 7.677 1.00 30.51 C +ATOM 2436 CG LEU A 327 36.464 -7.029 9.025 1.00 30.17 C +ATOM 2437 CD1 LEU A 327 37.105 -7.801 10.167 1.00 30.98 C +ATOM 2438 CD2 LEU A 327 36.764 -5.539 9.146 1.00 28.84 C +ATOM 2439 N LYS A 328 34.628 -9.591 8.573 1.00 32.22 N +ATOM 2440 CA LYS A 328 33.207 -9.816 8.764 1.00 35.70 C +ATOM 2441 C LYS A 328 32.873 -9.610 10.249 1.00 30.66 C +ATOM 2442 O LYS A 328 33.771 -9.697 11.081 1.00 22.78 O +ATOM 2443 CB LYS A 328 32.777 -11.217 8.342 1.00 32.45 C +ATOM 2444 CG LYS A 328 33.239 -12.300 9.303 1.00 37.32 C +ATOM 2445 CD LYS A 328 32.655 -13.658 8.941 1.00 37.44 C +ATOM 2446 CE LYS A 328 33.399 -14.771 9.668 1.00 39.09 C +ATOM 2447 NZ LYS A 328 32.903 -16.114 9.254 1.00 42.81 N +ATOM 2448 N LEU A 329 31.609 -9.339 10.533 1.00 29.15 N +ATOM 2449 CA LEU A 329 31.203 -9.154 11.947 1.00 27.26 C +ATOM 2450 C LEU A 329 30.730 -10.505 12.471 1.00 27.51 C +ATOM 2451 O LEU A 329 29.693 -11.010 12.036 1.00 31.87 O +ATOM 2452 CB LEU A 329 30.142 -8.086 12.032 1.00 26.49 C +ATOM 2453 CG LEU A 329 29.644 -7.606 13.387 1.00 25.78 C +ATOM 2454 CD1 LEU A 329 30.780 -7.045 14.234 1.00 22.03 C +ATOM 2455 CD2 LEU A 329 28.557 -6.543 13.185 1.00 22.69 C +ATOM 2456 N SER A 330 31.513 -11.127 13.348 1.00 26.97 N +ATOM 2457 CA SER A 330 31.166 -12.451 13.852 1.00 32.88 C +ATOM 2458 C SER A 330 30.349 -12.400 15.130 1.00 32.27 C +ATOM 2459 O SER A 330 29.740 -13.406 15.503 1.00 37.28 O +ATOM 2460 CB SER A 330 32.434 -13.282 14.085 1.00 33.05 C +ATOM 2461 OG SER A 330 33.513 -12.422 14.417 1.00 38.94 O +ATOM 2462 N LYS A 331 30.346 -11.251 15.795 1.00 28.17 N +ATOM 2463 CA LYS A 331 29.601 -11.103 17.037 1.00 35.75 C +ATOM 2464 C LYS A 331 28.898 -9.748 17.109 1.00 32.23 C +ATOM 2465 O LYS A 331 29.493 -8.719 16.815 1.00 31.72 O +ATOM 2466 CB LYS A 331 30.532 -11.233 18.250 1.00 35.71 C +ATOM 2467 CG LYS A 331 29.782 -11.540 19.545 1.00 37.81 C +ATOM 2468 CD LYS A 331 29.449 -13.023 19.615 1.00 38.44 C +ATOM 2469 CE LYS A 331 28.531 -13.340 20.777 1.00 39.67 C +ATOM 2470 NZ LYS A 331 28.855 -12.536 21.985 1.00 42.71 N +ATOM 2471 N ALA A 332 27.636 -9.779 17.513 1.00 29.29 N +ATOM 2472 CA ALA A 332 26.844 -8.554 17.641 1.00 31.04 C +ATOM 2473 C ALA A 332 25.770 -8.797 18.705 1.00 28.91 C +ATOM 2474 O ALA A 332 24.884 -9.629 18.526 1.00 27.04 O +ATOM 2475 CB ALA A 332 26.248 -8.136 16.319 1.00 29.34 C +ATOM 2476 N VAL A 333 25.899 -8.094 19.825 1.00 32.09 N +ATOM 2477 CA VAL A 333 24.965 -8.278 20.931 1.00 32.81 C +ATOM 2478 C VAL A 333 24.321 -6.968 21.369 1.00 29.46 C +ATOM 2479 O VAL A 333 24.929 -5.910 21.332 1.00 25.88 O +ATOM 2480 CB VAL A 333 25.692 -8.888 22.152 1.00 32.33 C +ATOM 2481 CG1 VAL A 333 24.693 -9.349 23.201 1.00 33.89 C +ATOM 2482 CG2 VAL A 333 26.598 -10.024 21.713 1.00 33.70 C +ATOM 2483 N HIS A 334 23.074 -7.076 21.803 1.00 32.72 N +ATOM 2484 CA HIS A 334 22.309 -5.937 22.285 1.00 28.57 C +ATOM 2485 C HIS A 334 21.632 -6.314 23.607 1.00 26.06 C +ATOM 2486 O HIS A 334 21.017 -7.372 23.710 1.00 26.11 O +ATOM 2487 CB HIS A 334 21.258 -5.501 21.275 1.00 30.45 C +ATOM 2488 CG HIS A 334 20.265 -4.493 21.757 1.00 30.10 C +ATOM 2489 ND1 HIS A 334 20.596 -3.199 22.075 1.00 29.24 N +ATOM 2490 CD2 HIS A 334 18.929 -4.597 21.973 1.00 30.82 C +ATOM 2491 CE1 HIS A 334 19.516 -2.544 22.461 1.00 29.34 C +ATOM 2492 NE2 HIS A 334 18.489 -3.367 22.412 1.00 29.57 N +ATOM 2493 N LYS A 335 21.767 -5.440 24.589 1.00 28.42 N +ATOM 2494 CA LYS A 335 21.151 -5.626 25.886 1.00 31.73 C +ATOM 2495 C LYS A 335 20.442 -4.326 26.296 1.00 28.29 C +ATOM 2496 O LYS A 335 21.051 -3.264 26.297 1.00 26.74 O +ATOM 2497 CB LYS A 335 22.145 -6.030 26.977 1.00 33.48 C +ATOM 2498 CG LYS A 335 21.428 -6.288 28.308 1.00 36.43 C +ATOM 2499 CD LYS A 335 22.273 -7.121 29.255 1.00 38.43 C +ATOM 2500 CE LYS A 335 21.421 -7.618 30.419 1.00 41.62 C +ATOM 2501 NZ LYS A 335 22.250 -8.110 31.552 1.00 42.87 N +ATOM 2502 N ALA A 336 19.163 -4.443 26.607 1.00 28.32 N +ATOM 2503 CA ALA A 336 18.355 -3.298 27.011 1.00 24.81 C +ATOM 2504 C ALA A 336 17.825 -3.532 28.425 1.00 27.73 C +ATOM 2505 O ALA A 336 17.231 -4.578 28.692 1.00 27.56 O +ATOM 2506 CB ALA A 336 17.201 -3.082 26.038 1.00 22.21 C +ATOM 2507 N VAL A 337 18.063 -2.570 29.312 1.00 29.24 N +ATOM 2508 CA VAL A 337 17.598 -2.728 30.693 1.00 30.87 C +ATOM 2509 C VAL A 337 16.646 -1.594 31.060 1.00 27.45 C +ATOM 2510 O VAL A 337 16.940 -0.419 30.856 1.00 28.29 O +ATOM 2511 CB VAL A 337 18.751 -2.797 31.694 1.00 32.12 C +ATOM 2512 CG1 VAL A 337 18.242 -2.933 33.130 1.00 31.63 C +ATOM 2513 CG2 VAL A 337 19.664 -3.980 31.360 1.00 29.97 C +ATOM 2514 N LEU A 338 15.490 -1.980 31.586 1.00 28.18 N +ATOM 2515 CA LEU A 338 14.472 -1.042 31.990 1.00 34.49 C +ATOM 2516 C LEU A 338 14.045 -1.244 33.444 1.00 33.84 C +ATOM 2517 O LEU A 338 13.745 -2.362 33.859 1.00 33.82 O +ATOM 2518 CB LEU A 338 13.235 -1.192 31.084 1.00 37.37 C +ATOM 2519 CG LEU A 338 11.959 -0.513 31.614 1.00 37.28 C +ATOM 2520 CD1 LEU A 338 12.038 0.986 31.419 1.00 34.87 C +ATOM 2521 CD2 LEU A 338 10.737 -1.109 30.942 1.00 36.95 C +ATOM 2522 N THR A 339 14.014 -0.148 34.190 1.00 29.98 N +ATOM 2523 CA THR A 339 13.560 -0.152 35.570 1.00 35.37 C +ATOM 2524 C THR A 339 12.369 0.818 35.697 1.00 33.28 C +ATOM 2525 O THR A 339 12.495 1.982 35.332 1.00 30.90 O +ATOM 2526 CB THR A 339 14.633 0.302 36.575 1.00 34.46 C +ATOM 2527 OG1 THR A 339 15.641 -0.707 36.697 1.00 39.44 O +ATOM 2528 CG2 THR A 339 14.012 0.539 37.946 1.00 35.79 C +ATOM 2529 N ILE A 340 11.248 0.332 36.198 1.00 34.34 N +ATOM 2530 CA ILE A 340 10.072 1.185 36.385 1.00 34.83 C +ATOM 2531 C ILE A 340 9.686 1.195 37.867 1.00 33.70 C +ATOM 2532 O ILE A 340 9.436 0.117 38.418 1.00 24.90 O +ATOM 2533 CB ILE A 340 8.858 0.693 35.585 1.00 35.73 C +ATOM 2534 CG1 ILE A 340 8.992 1.032 34.094 1.00 37.54 C +ATOM 2535 CG2 ILE A 340 7.580 1.295 36.160 1.00 34.60 C +ATOM 2536 CD1 ILE A 340 9.189 2.519 33.835 1.00 37.92 C +ATOM 2537 N ASP A 341 9.638 2.372 38.473 1.00 32.91 N +ATOM 2538 CA ASP A 341 9.258 2.469 39.888 1.00 32.45 C +ATOM 2539 C ASP A 341 8.495 3.763 40.154 1.00 31.75 C +ATOM 2540 O ASP A 341 8.172 4.509 39.223 1.00 26.22 O +ATOM 2541 CB ASP A 341 10.482 2.324 40.783 1.00 35.04 C +ATOM 2542 CG ASP A 341 11.476 3.454 40.592 1.00 35.45 C +ATOM 2543 OD1 ASP A 341 11.124 4.427 39.895 1.00 36.68 O +ATOM 2544 OD2 ASP A 341 12.593 3.365 41.134 1.00 37.93 O +ATOM 2545 N GLU A 342 8.159 4.036 41.399 1.00 31.47 N +ATOM 2546 CA GLU A 342 7.383 5.173 41.830 1.00 29.75 C +ATOM 2547 C GLU A 342 7.934 6.523 41.384 1.00 34.22 C +ATOM 2548 O GLU A 342 7.208 7.399 40.921 1.00 28.16 O +ATOM 2549 CB GLU A 342 7.273 5.194 43.366 1.00 30.76 C +ATOM 2550 CG GLU A 342 6.557 4.004 43.963 1.00 28.79 C +ATOM 2551 CD GLU A 342 7.436 2.798 44.200 1.00 31.12 C +ATOM 2552 OE1 GLU A 342 8.620 2.789 43.798 1.00 29.63 O +ATOM 2553 OE2 GLU A 342 6.925 1.824 44.807 1.00 30.27 O +ATOM 2554 N LYS A 343 9.217 6.701 41.598 1.00 35.32 N +ATOM 2555 CA LYS A 343 9.960 7.901 41.282 1.00 44.21 C +ATOM 2556 C LYS A 343 11.339 7.449 40.777 1.00 52.45 C +ATOM 2557 O LYS A 343 11.892 6.497 41.334 1.00 59.58 O +ATOM 2558 CB LYS A 343 10.143 8.798 42.504 1.00 43.95 C +ATOM 2559 CG LYS A 343 8.937 9.614 42.911 1.00 45.23 C +ATOM 2560 CD LYS A 343 9.173 10.396 44.189 1.00 46.19 C +ATOM 2561 CE LYS A 343 10.454 11.212 44.131 1.00 48.18 C +ATOM 2562 NZ LYS A 343 10.508 12.225 45.227 1.00 49.28 N +ATOM 2563 N GLY A 344 11.843 8.105 39.748 1.00 58.65 N +ATOM 2564 CA GLY A 344 13.147 7.717 39.206 1.00 67.77 C +ATOM 2565 C GLY A 344 14.273 8.087 40.161 1.00 71.61 C +ATOM 2566 O GLY A 344 15.391 7.587 40.029 1.00 74.42 O +ATOM 2567 N THR A 345 13.978 8.960 41.122 1.00 75.99 N +ATOM 2568 CA THR A 345 14.986 9.409 42.069 1.00 78.83 C +ATOM 2569 C THR A 345 14.421 9.711 43.449 1.00 80.26 C +ATOM 2570 O THR A 345 13.216 9.851 43.634 1.00 84.38 O +ATOM 2571 CB THR A 345 15.673 10.698 41.549 1.00 79.35 C +ATOM 2572 OG1 THR A 345 16.674 11.103 42.489 1.00 80.23 O +ATOM 2573 CG2 THR A 345 14.643 11.806 41.395 1.00 79.32 C +ATOM 2574 N GLU A 346 15.325 9.834 44.419 1.00 80.85 N +ATOM 2575 CA GLU A 346 14.942 10.154 45.791 1.00 80.98 C +ATOM 2576 C GLU A 346 14.787 11.671 45.933 1.00 79.87 C +ATOM 2577 O GLU A 346 14.405 12.179 46.980 1.00 78.77 O +ATOM 2578 CB GLU A 346 15.987 9.645 46.779 1.00 81.47 C +ATOM 2579 CG GLU A 346 16.222 8.145 46.734 1.00 82.28 C +ATOM 2580 CD GLU A 346 17.372 7.713 47.624 1.00 82.99 C +ATOM 2581 OE1 GLU A 346 18.524 8.101 47.332 1.00 83.32 O +ATOM 2582 OE2 GLU A 346 17.126 6.990 48.611 1.00 83.49 O +ATOM 2583 N ALA A 347 15.100 12.375 44.848 1.00 78.27 N +ATOM 2584 CA ALA A 347 15.004 13.828 44.819 1.00 77.38 C +ATOM 2585 C ALA A 347 13.554 14.275 44.645 1.00 78.15 C +ATOM 2586 O ALA A 347 13.032 14.284 43.530 1.00 81.42 O +ATOM 2587 CB ALA A 347 15.858 14.398 43.696 1.00 76.34 C +ATOM 2588 N ALA A 348 12.918 14.642 45.750 1.00 76.50 N +ATOM 2589 CA ALA A 348 11.530 15.090 45.722 1.00 77.18 C +ATOM 2590 C ALA A 348 11.297 16.099 44.601 1.00 75.83 C +ATOM 2591 O ALA A 348 12.023 17.084 44.473 1.00 74.71 O +ATOM 2592 CB ALA A 348 11.150 15.693 47.067 1.00 76.40 C +ATOM 2593 N GLY A 349 10.276 15.849 43.787 1.00 77.00 N +ATOM 2594 CA GLY A 349 9.948 16.728 42.673 1.00 77.28 C +ATOM 2595 C GLY A 349 9.009 17.848 43.107 1.00 77.02 C +ATOM 2596 O GLY A 349 8.297 17.728 44.105 1.00 78.45 O +ATOM 2597 N ALA A 350 9.019 18.941 42.348 1.00 73.29 N +ATOM 2598 CA ALA A 350 8.145 20.075 42.668 1.00 70.55 C +ATOM 2599 C ALA A 350 6.706 19.573 42.782 1.00 65.66 C +ATOM 2600 O ALA A 350 6.291 18.668 42.057 1.00 61.31 O +ATOM 2601 CB ALA A 350 8.272 21.153 41.613 1.00 71.61 C +ATOM 2602 N MET A 351 5.953 20.144 43.705 1.00 60.33 N +ATOM 2603 CA MET A 351 4.578 19.755 43.947 1.00 55.77 C +ATOM 2604 C MET A 351 3.596 20.354 42.956 1.00 51.41 C +ATOM 2605 O MET A 351 3.806 21.409 42.364 1.00 55.62 O +ATOM 2606 CB MET A 351 4.180 20.123 45.390 1.00 58.94 C +ATOM 2607 CG MET A 351 5.083 19.467 46.431 1.00 61.88 C +ATOM 2608 SD MET A 351 4.415 19.538 48.101 1.00 64.31 S +ATOM 2609 CE MET A 351 4.133 21.308 48.268 1.00 64.71 C +ATOM 2610 N PHE A 352 2.488 19.650 42.761 1.00 40.28 N +ATOM 2611 CA PHE A 352 1.429 20.087 41.866 1.00 41.98 C +ATOM 2612 C PHE A 352 0.108 19.533 42.394 1.00 34.12 C +ATOM 2613 O PHE A 352 0.107 18.634 43.240 1.00 40.54 O +ATOM 2614 CB PHE A 352 1.670 19.685 40.414 1.00 40.21 C +ATOM 2615 CG PHE A 352 1.788 18.205 40.195 1.00 43.66 C +ATOM 2616 CD1 PHE A 352 0.658 17.432 39.967 1.00 43.50 C +ATOM 2617 CD2 PHE A 352 3.028 17.584 40.221 1.00 43.60 C +ATOM 2618 CE1 PHE A 352 0.761 16.069 39.771 1.00 42.94 C +ATOM 2619 CE2 PHE A 352 3.134 16.219 40.023 1.00 43.52 C +ATOM 2620 CZ PHE A 352 2.000 15.463 39.798 1.00 42.96 C +ATOM 2621 N LEU A 353 -0.986 20.073 41.918 1.00 35.40 N +ATOM 2622 CA LEU A 353 -2.317 19.651 42.357 1.00 34.00 C +ATOM 2623 C LEU A 353 -3.184 19.326 41.150 1.00 32.95 C +ATOM 2624 O LEU A 353 -3.252 20.162 40.244 1.00 29.60 O +ATOM 2625 CB LEU A 353 -2.948 20.824 43.136 1.00 33.26 C +ATOM 2626 CG LEU A 353 -2.201 21.276 44.391 1.00 37.00 C +ATOM 2627 CD1 LEU A 353 -2.956 22.426 45.076 1.00 34.13 C +ATOM 2628 CD2 LEU A 353 -2.021 20.137 45.386 1.00 36.47 C +ATOM 2629 N GLU A 354 -3.781 18.137 41.105 1.00 26.00 N +ATOM 2630 CA GLU A 354 -4.675 17.807 40.003 1.00 29.23 C +ATOM 2631 C GLU A 354 -6.118 17.888 40.522 1.00 31.03 C +ATOM 2632 O GLU A 354 -6.373 17.495 41.664 1.00 34.53 O +ATOM 2633 CB GLU A 354 -4.428 16.430 39.412 1.00 31.17 C +ATOM 2634 CG GLU A 354 -3.007 16.102 39.027 1.00 32.53 C +ATOM 2635 CD GLU A 354 -2.834 14.719 38.427 1.00 31.89 C +ATOM 2636 OE1 GLU A 354 -3.483 13.760 38.890 1.00 30.00 O +ATOM 2637 OE2 GLU A 354 -2.034 14.584 37.475 1.00 31.67 O +ATOM 2638 N ALA A 355 -7.024 18.377 39.695 1.00 34.47 N +ATOM 2639 CA ALA A 355 -8.427 18.487 40.092 1.00 37.79 C +ATOM 2640 C ALA A 355 -9.177 17.213 39.708 1.00 35.48 C +ATOM 2641 O ALA A 355 -9.566 17.021 38.556 1.00 34.48 O +ATOM 2642 CB ALA A 355 -9.062 19.708 39.446 1.00 36.70 C +ATOM 2643 N ILE A 356 -9.383 16.342 40.688 1.00 40.53 N +ATOM 2644 CA ILE A 356 -10.071 15.075 40.459 1.00 41.28 C +ATOM 2645 C ILE A 356 -11.547 15.165 40.809 1.00 43.69 C +ATOM 2646 O ILE A 356 -11.922 15.540 41.922 1.00 40.99 O +ATOM 2647 CB ILE A 356 -9.400 13.950 41.269 1.00 42.37 C +ATOM 2648 CG1 ILE A 356 -7.905 13.876 40.922 1.00 41.27 C +ATOM 2649 CG2 ILE A 356 -10.076 12.616 41.007 1.00 43.00 C +ATOM 2650 CD1 ILE A 356 -7.077 13.174 41.979 1.00 42.61 C +ATOM 2651 N PRO A 357 -12.403 14.827 39.855 1.00 43.92 N +ATOM 2652 CA PRO A 357 -13.840 14.859 40.020 1.00 44.25 C +ATOM 2653 C PRO A 357 -14.322 13.849 41.050 1.00 46.29 C +ATOM 2654 O PRO A 357 -13.616 12.898 41.384 1.00 44.67 O +ATOM 2655 CB PRO A 357 -14.398 14.552 38.642 1.00 43.89 C +ATOM 2656 CG PRO A 357 -13.259 14.709 37.699 1.00 47.84 C +ATOM 2657 CD PRO A 357 -12.019 14.378 38.490 1.00 45.85 C +ATOM 2658 N MET A 358 -15.534 14.056 41.553 1.00 47.58 N +ATOM 2659 CA MET A 358 -16.123 13.190 42.555 1.00 49.23 C +ATOM 2660 C MET A 358 -16.831 11.978 41.985 1.00 47.57 C +ATOM 2661 O MET A 358 -17.417 11.196 42.748 1.00 56.55 O +ATOM 2662 CB MET A 358 -17.074 14.003 43.452 1.00 49.12 C +ATOM 2663 CG MET A 358 -17.968 14.967 42.696 1.00 50.23 C +ATOM 2664 SD MET A 358 -18.836 16.130 43.773 1.00 51.94 S +ATOM 2665 CE MET A 358 -19.737 14.995 44.834 1.00 49.33 C +ATOM 2666 N SER A 359 -16.796 11.780 40.671 1.00 50.03 N +ATOM 2667 CA SER A 359 -17.456 10.622 40.069 1.00 46.57 C +ATOM 2668 C SER A 359 -16.588 9.376 40.206 1.00 41.48 C +ATOM 2669 O SER A 359 -15.392 9.471 40.479 1.00 35.36 O +ATOM 2670 CB SER A 359 -17.817 10.875 38.615 1.00 47.47 C +ATOM 2671 OG SER A 359 -16.728 10.605 37.754 1.00 50.82 O +ATOM 2672 N ILE A 360 -17.203 8.205 40.037 1.00 34.80 N +ATOM 2673 CA ILE A 360 -16.476 6.949 40.156 1.00 35.28 C +ATOM 2674 C ILE A 360 -15.461 6.806 39.023 1.00 34.12 C +ATOM 2675 O ILE A 360 -15.832 6.716 37.855 1.00 30.01 O +ATOM 2676 CB ILE A 360 -17.407 5.727 40.143 1.00 34.78 C +ATOM 2677 CG1 ILE A 360 -18.066 5.514 41.501 1.00 33.15 C +ATOM 2678 CG2 ILE A 360 -16.644 4.484 39.700 1.00 34.50 C +ATOM 2679 CD1 ILE A 360 -17.104 5.280 42.644 1.00 34.42 C +ATOM 2680 N PRO A 361 -14.189 6.787 39.380 1.00 36.22 N +ATOM 2681 CA PRO A 361 -13.112 6.645 38.416 1.00 32.64 C +ATOM 2682 C PRO A 361 -12.913 5.188 38.038 1.00 34.16 C +ATOM 2683 O PRO A 361 -13.007 4.291 38.879 1.00 29.86 O +ATOM 2684 CB PRO A 361 -11.905 7.172 39.183 1.00 34.72 C +ATOM 2685 CG PRO A 361 -12.196 6.864 40.609 1.00 35.65 C +ATOM 2686 CD PRO A 361 -13.683 6.890 40.769 1.00 33.90 C +ATOM 2687 N PRO A 362 -12.631 4.936 36.771 1.00 33.69 N +ATOM 2688 CA PRO A 362 -12.396 3.575 36.308 1.00 34.29 C +ATOM 2689 C PRO A 362 -11.136 3.020 36.950 1.00 27.27 C +ATOM 2690 O PRO A 362 -10.161 3.750 37.160 1.00 28.55 O +ATOM 2691 CB PRO A 362 -12.249 3.725 34.804 1.00 32.79 C +ATOM 2692 CG PRO A 362 -11.819 5.134 34.593 1.00 31.11 C +ATOM 2693 CD PRO A 362 -12.474 5.934 35.694 1.00 36.45 C +ATOM 2694 N GLU A 363 -11.150 1.745 37.294 1.00 28.11 N +ATOM 2695 CA GLU A 363 -9.987 1.061 37.842 1.00 24.04 C +ATOM 2696 C GLU A 363 -9.249 0.413 36.657 1.00 29.19 C +ATOM 2697 O GLU A 363 -9.779 -0.528 36.074 1.00 35.46 O +ATOM 2698 CB GLU A 363 -10.398 -0.021 38.834 1.00 32.24 C +ATOM 2699 CG GLU A 363 -9.311 -0.512 39.760 1.00 34.41 C +ATOM 2700 CD GLU A 363 -9.825 -1.466 40.829 1.00 40.67 C +ATOM 2701 OE1 GLU A 363 -10.215 -2.596 40.458 1.00 44.85 O +ATOM 2702 OE2 GLU A 363 -9.847 -1.108 42.023 1.00 35.75 O +ATOM 2703 N VAL A 364 -8.080 0.935 36.311 1.00 29.87 N +ATOM 2704 CA VAL A 364 -7.338 0.346 35.176 1.00 27.18 C +ATOM 2705 C VAL A 364 -6.088 -0.315 35.723 1.00 20.77 C +ATOM 2706 O VAL A 364 -5.205 0.343 36.256 1.00 24.79 O +ATOM 2707 CB VAL A 364 -7.017 1.388 34.106 1.00 29.28 C +ATOM 2708 CG1 VAL A 364 -6.410 0.741 32.858 1.00 25.77 C +ATOM 2709 CG2 VAL A 364 -8.299 2.129 33.710 1.00 28.02 C +ATOM 2710 N LYS A 365 -6.063 -1.655 35.686 1.00 22.97 N +ATOM 2711 CA LYS A 365 -4.960 -2.389 36.269 1.00 20.98 C +ATOM 2712 C LYS A 365 -4.098 -3.102 35.233 1.00 23.93 C +ATOM 2713 O LYS A 365 -4.604 -3.868 34.415 1.00 22.54 O +ATOM 2714 CB LYS A 365 -5.506 -3.470 37.233 1.00 26.37 C +ATOM 2715 CG LYS A 365 -6.308 -2.937 38.412 1.00 30.15 C +ATOM 2716 CD LYS A 365 -6.612 -4.093 39.381 1.00 32.29 C +ATOM 2717 CE LYS A 365 -7.245 -3.572 40.660 1.00 35.24 C +ATOM 2718 NZ LYS A 365 -7.290 -4.614 41.727 1.00 35.51 N +ATOM 2719 N PHE A 366 -2.793 -2.871 35.323 1.00 24.39 N +ATOM 2720 CA PHE A 366 -1.872 -3.561 34.398 1.00 26.07 C +ATOM 2721 C PHE A 366 -1.437 -4.848 35.102 1.00 25.94 C +ATOM 2722 O PHE A 366 -0.300 -5.007 35.513 1.00 22.37 O +ATOM 2723 CB PHE A 366 -0.711 -2.646 34.033 1.00 22.79 C +ATOM 2724 CG PHE A 366 -1.135 -1.587 33.045 1.00 26.22 C +ATOM 2725 CD1 PHE A 366 -1.882 -0.498 33.453 1.00 26.18 C +ATOM 2726 CD2 PHE A 366 -0.781 -1.701 31.706 1.00 25.34 C +ATOM 2727 CE1 PHE A 366 -2.273 0.470 32.546 1.00 25.38 C +ATOM 2728 CE2 PHE A 366 -1.174 -0.734 30.800 1.00 29.81 C +ATOM 2729 CZ PHE A 366 -1.920 0.353 31.217 1.00 28.25 C +ATOM 2730 N ASN A 367 -2.428 -5.726 35.292 1.00 27.16 N +ATOM 2731 CA ASN A 367 -2.242 -6.978 35.995 1.00 27.30 C +ATOM 2732 C ASN A 367 -2.417 -8.202 35.106 1.00 30.40 C +ATOM 2733 O ASN A 367 -2.975 -9.218 35.531 1.00 25.02 O +ATOM 2734 CB ASN A 367 -3.188 -7.075 37.201 1.00 26.08 C +ATOM 2735 CG ASN A 367 -4.644 -7.089 36.822 1.00 27.04 C +ATOM 2736 OD1 ASN A 367 -5.019 -6.990 35.654 1.00 28.32 O +ATOM 2737 ND2 ASN A 367 -5.518 -7.213 37.824 1.00 28.93 N +ATOM 2738 N LYS A 368 -1.925 -8.110 33.889 1.00 25.54 N +ATOM 2739 CA LYS A 368 -1.944 -9.160 32.882 1.00 27.72 C +ATOM 2740 C LYS A 368 -1.026 -8.702 31.737 1.00 29.73 C +ATOM 2741 O LYS A 368 -0.704 -7.511 31.673 1.00 26.84 O +ATOM 2742 CB LYS A 368 -3.335 -9.475 32.378 1.00 27.06 C +ATOM 2743 CG LYS A 368 -4.031 -8.357 31.634 1.00 28.39 C +ATOM 2744 CD LYS A 368 -5.485 -8.701 31.323 1.00 29.42 C +ATOM 2745 CE LYS A 368 -6.156 -7.546 30.602 1.00 30.49 C +ATOM 2746 NZ LYS A 368 -7.427 -7.922 29.952 1.00 29.62 N +ATOM 2747 N PRO A 369 -0.597 -9.609 30.886 1.00 27.65 N +ATOM 2748 CA PRO A 369 0.293 -9.281 29.789 1.00 27.30 C +ATOM 2749 C PRO A 369 -0.070 -7.993 29.081 1.00 18.75 C +ATOM 2750 O PRO A 369 -1.216 -7.750 28.703 1.00 20.25 O +ATOM 2751 CB PRO A 369 0.238 -10.513 28.896 1.00 24.98 C +ATOM 2752 CG PRO A 369 -0.024 -11.633 29.864 1.00 28.93 C +ATOM 2753 CD PRO A 369 -0.935 -11.051 30.918 1.00 24.81 C +ATOM 2754 N PHE A 370 0.922 -7.117 28.929 1.00 20.48 N +ATOM 2755 CA PHE A 370 0.705 -5.830 28.263 1.00 20.45 C +ATOM 2756 C PHE A 370 1.921 -5.416 27.447 1.00 21.77 C +ATOM 2757 O PHE A 370 3.039 -5.875 27.680 1.00 24.39 O +ATOM 2758 CB PHE A 370 0.345 -4.753 29.289 1.00 19.99 C +ATOM 2759 CG PHE A 370 1.444 -4.401 30.247 1.00 20.78 C +ATOM 2760 CD1 PHE A 370 2.408 -3.474 29.923 1.00 19.36 C +ATOM 2761 CD2 PHE A 370 1.495 -5.003 31.503 1.00 20.69 C +ATOM 2762 CE1 PHE A 370 3.420 -3.145 30.809 1.00 19.14 C +ATOM 2763 CE2 PHE A 370 2.499 -4.683 32.394 1.00 20.93 C +ATOM 2764 CZ PHE A 370 3.464 -3.754 32.050 1.00 23.52 C +ATOM 2765 N VAL A 371 1.696 -4.536 26.488 1.00 19.51 N +ATOM 2766 CA VAL A 371 2.737 -4.041 25.590 1.00 24.71 C +ATOM 2767 C VAL A 371 3.092 -2.593 25.866 1.00 21.59 C +ATOM 2768 O VAL A 371 2.249 -1.834 26.366 1.00 23.84 O +ATOM 2769 CB VAL A 371 2.218 -4.144 24.131 1.00 23.68 C +ATOM 2770 CG1 VAL A 371 3.192 -3.523 23.149 1.00 26.36 C +ATOM 2771 CG2 VAL A 371 1.927 -5.594 23.792 1.00 25.10 C +ATOM 2772 N PHE A 372 4.324 -2.183 25.562 1.00 22.80 N +ATOM 2773 CA PHE A 372 4.692 -0.796 25.795 1.00 24.54 C +ATOM 2774 C PHE A 372 5.735 -0.257 24.824 1.00 24.41 C +ATOM 2775 O PHE A 372 6.473 -0.966 24.145 1.00 14.76 O +ATOM 2776 CB PHE A 372 5.101 -0.574 27.232 1.00 26.14 C +ATOM 2777 CG PHE A 372 6.450 -1.121 27.579 1.00 28.13 C +ATOM 2778 CD1 PHE A 372 6.569 -2.354 28.191 1.00 30.91 C +ATOM 2779 CD2 PHE A 372 7.592 -0.391 27.299 1.00 31.79 C +ATOM 2780 CE1 PHE A 372 7.810 -2.863 28.513 1.00 31.96 C +ATOM 2781 CE2 PHE A 372 8.838 -0.896 27.617 1.00 34.55 C +ATOM 2782 CZ PHE A 372 8.938 -2.131 28.229 1.00 34.85 C +ATOM 2783 N LEU A 373 5.795 1.063 24.784 1.00 18.65 N +ATOM 2784 CA LEU A 373 6.701 1.790 23.886 1.00 26.63 C +ATOM 2785 C LEU A 373 7.117 3.095 24.534 1.00 28.66 C +ATOM 2786 O LEU A 373 6.280 3.741 25.189 1.00 27.59 O +ATOM 2787 CB LEU A 373 5.892 2.048 22.616 1.00 32.59 C +ATOM 2788 CG LEU A 373 6.521 2.099 21.248 1.00 39.39 C +ATOM 2789 CD1 LEU A 373 7.830 1.350 21.154 1.00 36.11 C +ATOM 2790 CD2 LEU A 373 5.548 1.544 20.197 1.00 41.85 C +ATOM 2791 N MET A 374 8.379 3.476 24.406 1.00 19.98 N +ATOM 2792 CA MET A 374 8.817 4.759 24.964 1.00 25.07 C +ATOM 2793 C MET A 374 9.209 5.610 23.740 1.00 25.02 C +ATOM 2794 O MET A 374 9.972 5.125 22.910 1.00 16.75 O +ATOM 2795 CB MET A 374 9.915 4.687 25.978 1.00 26.87 C +ATOM 2796 CG MET A 374 9.460 4.249 27.376 1.00 33.96 C +ATOM 2797 SD MET A 374 9.596 2.483 27.588 1.00 40.57 S +ATOM 2798 CE MET A 374 8.671 2.185 29.094 1.00 35.71 C +ATOM 2799 N ILE A 375 8.631 6.786 23.648 1.00 27.01 N +ATOM 2800 CA ILE A 375 8.864 7.679 22.524 1.00 22.15 C +ATOM 2801 C ILE A 375 9.614 8.943 22.921 1.00 30.89 C +ATOM 2802 O ILE A 375 9.320 9.536 23.960 1.00 34.02 O +ATOM 2803 CB ILE A 375 7.498 8.145 21.948 1.00 24.71 C +ATOM 2804 CG1 ILE A 375 6.607 6.954 21.626 1.00 25.66 C +ATOM 2805 CG2 ILE A 375 7.713 9.043 20.741 1.00 23.11 C +ATOM 2806 CD1 ILE A 375 7.127 6.043 20.541 1.00 24.68 C +ATOM 2807 N GLU A 376 10.547 9.359 22.072 1.00 30.21 N +ATOM 2808 CA GLU A 376 11.292 10.607 22.332 1.00 30.81 C +ATOM 2809 C GLU A 376 10.403 11.732 21.799 1.00 24.85 C +ATOM 2810 O GLU A 376 9.923 11.638 20.670 1.00 29.62 O +ATOM 2811 CB GLU A 376 12.649 10.572 21.663 1.00 33.36 C +ATOM 2812 CG GLU A 376 13.636 11.614 22.170 1.00 35.32 C +ATOM 2813 CD GLU A 376 13.451 12.953 21.481 1.00 35.25 C +ATOM 2814 OE1 GLU A 376 13.308 12.959 20.240 1.00 36.77 O +ATOM 2815 OE2 GLU A 376 13.446 13.984 22.180 1.00 36.29 O +ATOM 2816 N GLN A 377 10.082 12.710 22.627 1.00 25.00 N +ATOM 2817 CA GLN A 377 9.142 13.753 22.297 1.00 29.29 C +ATOM 2818 C GLN A 377 9.479 14.617 21.106 1.00 32.68 C +ATOM 2819 O GLN A 377 8.577 14.917 20.305 1.00 32.94 O +ATOM 2820 CB GLN A 377 8.845 14.609 23.545 1.00 31.33 C +ATOM 2821 CG GLN A 377 7.948 13.862 24.542 1.00 32.94 C +ATOM 2822 CD GLN A 377 7.886 14.559 25.886 1.00 33.52 C +ATOM 2823 OE1 GLN A 377 8.164 15.753 25.984 1.00 35.59 O +ATOM 2824 NE2 GLN A 377 7.521 13.823 26.930 1.00 34.25 N +ATOM 2825 N ASN A 378 10.722 15.043 20.944 1.00 38.04 N +ATOM 2826 CA ASN A 378 11.079 15.902 19.811 1.00 43.59 C +ATOM 2827 C ASN A 378 10.950 15.188 18.476 1.00 42.62 C +ATOM 2828 O ASN A 378 10.120 15.546 17.637 1.00 42.20 O +ATOM 2829 CB ASN A 378 12.501 16.438 19.999 1.00 42.92 C +ATOM 2830 CG ASN A 378 12.590 17.362 21.200 1.00 46.77 C +ATOM 2831 OD1 ASN A 378 11.796 18.302 21.317 1.00 47.56 O +ATOM 2832 ND2 ASN A 378 13.539 17.102 22.084 1.00 44.79 N +ATOM 2833 N THR A 379 11.769 14.164 18.272 1.00 41.88 N +ATOM 2834 CA THR A 379 11.788 13.396 17.041 1.00 41.49 C +ATOM 2835 C THR A 379 10.647 12.397 16.934 1.00 40.58 C +ATOM 2836 O THR A 379 10.258 12.011 15.827 1.00 41.78 O +ATOM 2837 CB THR A 379 13.119 12.610 16.925 1.00 41.72 C +ATOM 2838 OG1 THR A 379 13.173 11.647 17.992 1.00 41.29 O +ATOM 2839 CG2 THR A 379 14.299 13.555 17.043 1.00 40.35 C +ATOM 2840 N LYS A 380 10.129 11.950 18.072 1.00 37.50 N +ATOM 2841 CA LYS A 380 9.046 10.968 18.078 1.00 35.28 C +ATOM 2842 C LYS A 380 9.566 9.582 17.716 1.00 33.14 C +ATOM 2843 O LYS A 380 8.831 8.697 17.289 1.00 29.24 O +ATOM 2844 CB LYS A 380 7.925 11.419 17.135 1.00 37.60 C +ATOM 2845 CG LYS A 380 7.344 12.772 17.545 1.00 39.63 C +ATOM 2846 CD LYS A 380 6.156 13.178 16.702 1.00 40.38 C +ATOM 2847 CE LYS A 380 5.252 14.149 17.460 1.00 40.57 C +ATOM 2848 NZ LYS A 380 6.042 15.151 18.228 1.00 42.00 N +ATOM 2849 N SER A 381 10.865 9.386 17.911 1.00 31.93 N +ATOM 2850 CA SER A 381 11.527 8.118 17.647 1.00 32.79 C +ATOM 2851 C SER A 381 11.208 7.111 18.756 1.00 29.55 C +ATOM 2852 O SER A 381 11.160 7.493 19.927 1.00 22.39 O +ATOM 2853 CB SER A 381 13.051 8.327 17.635 1.00 33.85 C +ATOM 2854 OG SER A 381 13.417 9.338 16.715 1.00 38.76 O +ATOM 2855 N PRO A 382 11.036 5.859 18.384 1.00 25.87 N +ATOM 2856 CA PRO A 382 10.750 4.797 19.339 1.00 27.68 C +ATOM 2857 C PRO A 382 12.012 4.366 20.070 1.00 26.63 C +ATOM 2858 O PRO A 382 12.758 3.506 19.599 1.00 29.06 O +ATOM 2859 CB PRO A 382 10.183 3.687 18.479 1.00 28.34 C +ATOM 2860 CG PRO A 382 10.775 3.891 17.128 1.00 29.95 C +ATOM 2861 CD PRO A 382 11.090 5.352 16.997 1.00 28.71 C +ATOM 2862 N LEU A 383 12.268 4.992 21.210 1.00 26.72 N +ATOM 2863 CA LEU A 383 13.428 4.719 22.031 1.00 31.05 C +ATOM 2864 C LEU A 383 13.438 3.282 22.556 1.00 28.19 C +ATOM 2865 O LEU A 383 14.493 2.662 22.635 1.00 26.88 O +ATOM 2866 CB LEU A 383 13.489 5.663 23.236 1.00 30.69 C +ATOM 2867 CG LEU A 383 14.071 7.053 23.022 1.00 35.04 C +ATOM 2868 CD1 LEU A 383 13.826 7.934 24.242 1.00 35.77 C +ATOM 2869 CD2 LEU A 383 15.565 6.970 22.727 1.00 36.44 C +ATOM 2870 N PHE A 384 12.274 2.790 22.955 1.00 24.15 N +ATOM 2871 CA PHE A 384 12.141 1.443 23.468 1.00 21.68 C +ATOM 2872 C PHE A 384 10.806 0.825 23.057 1.00 25.53 C +ATOM 2873 O PHE A 384 9.806 1.511 22.829 1.00 19.01 O +ATOM 2874 CB PHE A 384 12.246 1.363 24.993 1.00 25.74 C +ATOM 2875 CG PHE A 384 13.537 1.854 25.567 1.00 30.32 C +ATOM 2876 CD1 PHE A 384 14.701 1.112 25.417 1.00 31.76 C +ATOM 2877 CD2 PHE A 384 13.597 3.055 26.255 1.00 30.69 C +ATOM 2878 CE1 PHE A 384 15.893 1.564 25.943 1.00 32.23 C +ATOM 2879 CE2 PHE A 384 14.791 3.510 26.779 1.00 31.70 C +ATOM 2880 CZ PHE A 384 15.941 2.761 26.619 1.00 32.15 C +ATOM 2881 N MET A 385 10.799 -0.498 23.012 1.00 22.70 N +ATOM 2882 CA MET A 385 9.572 -1.238 22.748 1.00 23.67 C +ATOM 2883 C MET A 385 9.653 -2.556 23.517 1.00 29.31 C +ATOM 2884 O MET A 385 10.745 -3.120 23.601 1.00 25.05 O +ATOM 2885 CB MET A 385 9.295 -1.458 21.276 1.00 25.56 C +ATOM 2886 CG MET A 385 7.896 -1.976 21.013 1.00 23.56 C +ATOM 2887 SD MET A 385 7.414 -2.117 19.314 1.00 23.51 S +ATOM 2888 CE MET A 385 5.712 -2.680 19.464 1.00 21.98 C +ATOM 2889 N GLY A 386 8.534 -3.009 24.090 1.00 29.08 N +ATOM 2890 CA GLY A 386 8.588 -4.246 24.849 1.00 24.77 C +ATOM 2891 C GLY A 386 7.251 -4.878 25.144 1.00 23.14 C +ATOM 2892 O GLY A 386 6.187 -4.442 24.723 1.00 20.30 O +ATOM 2893 N LYS A 387 7.317 -6.001 25.873 1.00 23.23 N +ATOM 2894 CA LYS A 387 6.133 -6.720 26.290 1.00 24.25 C +ATOM 2895 C LYS A 387 6.403 -7.356 27.657 1.00 29.17 C +ATOM 2896 O LYS A 387 7.440 -7.999 27.830 1.00 30.76 O +ATOM 2897 CB LYS A 387 5.685 -7.802 25.302 1.00 23.89 C +ATOM 2898 CG LYS A 387 4.259 -8.248 25.565 1.00 24.38 C +ATOM 2899 CD LYS A 387 3.868 -9.592 25.085 1.00 23.78 C +ATOM 2900 CE LYS A 387 4.738 -10.187 24.001 1.00 26.42 C +ATOM 2901 NZ LYS A 387 4.018 -11.292 23.289 1.00 26.37 N +ATOM 2902 N VAL A 388 5.495 -7.128 28.593 1.00 25.81 N +ATOM 2903 CA VAL A 388 5.645 -7.719 29.922 1.00 27.33 C +ATOM 2904 C VAL A 388 4.663 -8.887 30.027 1.00 29.26 C +ATOM 2905 O VAL A 388 3.453 -8.694 29.989 1.00 31.17 O +ATOM 2906 CB VAL A 388 5.417 -6.725 31.063 1.00 28.59 C +ATOM 2907 CG1 VAL A 388 5.525 -7.432 32.412 1.00 30.80 C +ATOM 2908 CG2 VAL A 388 6.427 -5.587 30.997 1.00 29.66 C +ATOM 2909 N VAL A 389 5.212 -10.095 30.084 1.00 33.55 N +ATOM 2910 CA VAL A 389 4.411 -11.308 30.182 1.00 33.39 C +ATOM 2911 C VAL A 389 4.266 -11.728 31.645 1.00 31.77 C +ATOM 2912 O VAL A 389 3.242 -12.258 32.061 1.00 33.13 O +ATOM 2913 CB VAL A 389 5.054 -12.460 29.385 1.00 35.32 C +ATOM 2914 CG1 VAL A 389 4.280 -13.748 29.593 1.00 34.69 C +ATOM 2915 CG2 VAL A 389 5.120 -12.098 27.909 1.00 34.99 C +ATOM 2916 N ASN A 390 5.311 -11.476 32.417 1.00 32.99 N +ATOM 2917 CA ASN A 390 5.340 -11.781 33.845 1.00 35.16 C +ATOM 2918 C ASN A 390 6.408 -10.916 34.513 1.00 31.70 C +ATOM 2919 O ASN A 390 7.602 -11.095 34.281 1.00 28.59 O +ATOM 2920 CB ASN A 390 5.592 -13.258 34.100 1.00 37.18 C +ATOM 2921 CG ASN A 390 5.578 -13.645 35.564 1.00 37.56 C +ATOM 2922 OD1 ASN A 390 5.312 -12.831 36.452 1.00 36.98 O +ATOM 2923 ND2 ASN A 390 5.869 -14.915 35.836 1.00 37.07 N +ATOM 2924 N PRO A 391 5.971 -9.956 35.315 1.00 33.81 N +ATOM 2925 CA PRO A 391 6.858 -9.034 35.989 1.00 38.02 C +ATOM 2926 C PRO A 391 7.979 -9.723 36.741 1.00 43.20 C +ATOM 2927 O PRO A 391 9.146 -9.346 36.623 1.00 45.59 O +ATOM 2928 CB PRO A 391 5.944 -8.266 36.937 1.00 36.46 C +ATOM 2929 CG PRO A 391 4.588 -8.376 36.343 1.00 38.86 C +ATOM 2930 CD PRO A 391 4.544 -9.687 35.613 1.00 37.38 C +ATOM 2931 N THR A 392 7.631 -10.741 37.525 1.00 47.49 N +ATOM 2932 CA THR A 392 8.610 -11.472 38.311 1.00 51.31 C +ATOM 2933 C THR A 392 9.394 -12.481 37.489 1.00 55.26 C +ATOM 2934 O THR A 392 9.781 -13.538 37.991 1.00 55.01 O +ATOM 2935 CB THR A 392 7.983 -12.142 39.541 1.00 50.50 C +ATOM 2936 OG1 THR A 392 6.686 -12.661 39.222 1.00 50.58 O +ATOM 2937 CG2 THR A 392 7.844 -11.136 40.678 1.00 50.53 C +ATOM 2938 N GLN A 393 9.651 -12.148 36.230 1.00 60.48 N +ATOM 2939 CA GLN A 393 10.432 -12.990 35.337 1.00 63.71 C +ATOM 2940 C GLN A 393 11.708 -12.237 34.934 1.00 65.41 C +ATOM 2941 O GLN A 393 11.615 -11.215 34.252 1.00 67.67 O +ATOM 2942 CB GLN A 393 9.663 -13.349 34.062 1.00 64.53 C +ATOM 2943 CG GLN A 393 10.441 -14.269 33.133 1.00 65.14 C +ATOM 2944 CD GLN A 393 10.451 -13.817 31.690 1.00 65.13 C +ATOM 2945 OE1 GLN A 393 11.266 -12.978 31.293 1.00 64.17 O +ATOM 2946 NE2 GLN A 393 9.553 -14.371 30.881 1.00 64.59 N +ATOM 2947 N LYS A 394 12.859 -12.733 35.361 1.00 66.66 N +ATOM 2948 CA LYS A 394 14.120 -12.063 35.027 1.00 67.35 C +ATOM 2949 C LYS A 394 15.316 -12.878 35.486 1.00 67.96 C +ATOM 2950 O LYS A 394 16.011 -12.454 36.432 1.00 70.79 O +ATOM 2951 CB LYS A 394 14.132 -10.666 35.649 1.00 67.40 C +ATOM 2952 CG LYS A 394 15.374 -9.846 35.366 1.00 66.91 C +ATOM 2953 CD LYS A 394 15.196 -8.401 35.816 1.00 66.28 C +ATOM 2954 CE LYS A 394 16.508 -7.640 35.741 1.00 66.53 C +ATOM 2955 NZ LYS A 394 16.325 -6.175 35.921 1.00 65.75 N +ATOM 2956 OXT LYS A 394 15.590 -13.908 34.764 1.00 65.78 O +TER 2957 LYS A 394 +END diff --git a/bench/main_benchmark/structures/SFB_FS_A1AT_1QLPA_1OPHA/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_A1AT_1QLPA_1OPHA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0414e4f5599c379e452ef168795f589c310c9c4f --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_A1AT_1QLPA_1OPHA/state_b.pdb @@ -0,0 +1,2920 @@ +ATOM 1 N HIS A 20 16.082 15.953 14.356 1.00 48.03 N +ATOM 2 CA HIS A 20 17.334 15.492 15.013 1.00 47.61 C +ATOM 3 C HIS A 20 18.169 16.696 15.397 1.00 46.62 C +ATOM 4 O HIS A 20 18.703 17.396 14.538 1.00 47.08 O +ATOM 5 CB HIS A 20 18.130 14.591 14.078 1.00 48.85 C +ATOM 6 CG HIS A 20 17.399 13.348 13.678 1.00 51.95 C +ATOM 7 ND1 HIS A 20 18.030 12.265 13.105 1.00 52.88 N +ATOM 8 CD2 HIS A 20 16.086 13.023 13.751 1.00 52.86 C +ATOM 9 CE1 HIS A 20 17.138 11.327 12.842 1.00 53.18 C +ATOM 10 NE2 HIS A 20 15.951 11.762 13.224 1.00 53.73 N +ATOM 11 N PRO A 21 18.291 16.954 16.705 1.00 45.45 N +ATOM 12 CA PRO A 21 19.067 18.095 17.196 1.00 42.68 C +ATOM 13 C PRO A 21 20.554 18.040 16.866 1.00 40.34 C +ATOM 14 O PRO A 21 21.171 16.969 16.847 1.00 38.14 O +ATOM 15 CB PRO A 21 18.783 18.082 18.695 1.00 43.99 C +ATOM 16 CG PRO A 21 18.554 16.622 18.983 1.00 45.20 C +ATOM 17 CD PRO A 21 17.712 16.183 17.822 1.00 44.75 C +ATOM 18 N THR A 22 21.115 19.216 16.600 1.00 38.57 N +ATOM 19 CA THR A 22 22.527 19.354 16.266 1.00 35.52 C +ATOM 20 C THR A 22 23.412 18.610 17.261 1.00 34.65 C +ATOM 21 O THR A 22 24.366 17.934 16.864 1.00 32.58 O +ATOM 22 CB THR A 22 22.947 20.838 16.254 1.00 36.78 C +ATOM 23 OG1 THR A 22 22.017 21.587 15.463 1.00 37.52 O +ATOM 24 CG2 THR A 22 24.359 20.997 15.666 1.00 32.54 C +ATOM 25 N PHE A 23 23.090 18.726 18.549 1.00 32.91 N +ATOM 26 CA PHE A 23 23.876 18.057 19.582 1.00 33.14 C +ATOM 27 C PHE A 23 24.162 16.598 19.250 1.00 34.49 C +ATOM 28 O PHE A 23 25.318 16.175 19.228 1.00 35.19 O +ATOM 29 CB PHE A 23 23.170 18.105 20.945 1.00 30.28 C +ATOM 30 CG PHE A 23 23.925 17.383 22.040 1.00 31.84 C +ATOM 31 CD1 PHE A 23 24.559 18.096 23.054 1.00 30.88 C +ATOM 32 CD2 PHE A 23 24.059 15.987 22.019 1.00 30.43 C +ATOM 33 CE1 PHE A 23 25.324 17.435 24.030 1.00 29.49 C +ATOM 34 CE2 PHE A 23 24.823 15.318 22.989 1.00 31.83 C +ATOM 35 CZ PHE A 23 25.458 16.046 23.995 1.00 29.38 C +ATOM 36 N ASN A 24 23.097 15.834 19.013 1.00 35.73 N +ATOM 37 CA ASN A 24 23.201 14.402 18.736 1.00 37.65 C +ATOM 38 C ASN A 24 24.040 14.046 17.523 1.00 38.88 C +ATOM 39 O ASN A 24 24.512 12.914 17.400 1.00 39.66 O +ATOM 40 CB ASN A 24 21.801 13.795 18.580 1.00 38.49 C +ATOM 41 CG ASN A 24 20.909 14.072 19.778 1.00 39.37 C +ATOM 42 OD1 ASN A 24 21.314 14.755 20.719 1.00 39.20 O +ATOM 43 ND2 ASN A 24 19.686 13.545 19.747 1.00 37.07 N +ATOM 44 N LYS A 25 24.240 15.003 16.626 1.00 39.41 N +ATOM 45 CA LYS A 25 25.024 14.727 15.432 1.00 39.51 C +ATOM 46 C LYS A 25 26.528 14.957 15.538 1.00 39.51 C +ATOM 47 O LYS A 25 27.309 14.215 14.931 1.00 41.35 O +ATOM 48 CB LYS A 25 24.462 15.520 14.253 1.00 40.93 C +ATOM 49 CG LYS A 25 23.099 15.016 13.809 1.00 42.48 C +ATOM 50 CD LYS A 25 22.455 15.899 12.754 1.00 43.48 C +ATOM 51 CE LYS A 25 22.009 17.218 13.340 1.00 45.17 C +ATOM 52 NZ LYS A 25 20.819 17.756 12.613 1.00 47.55 N +ATOM 53 N ILE A 26 26.958 15.944 16.321 1.00 37.77 N +ATOM 54 CA ILE A 26 28.393 16.219 16.390 1.00 35.58 C +ATOM 55 C ILE A 26 29.053 16.551 17.738 1.00 33.30 C +ATOM 56 O ILE A 26 30.259 16.341 17.902 1.00 33.07 O +ATOM 57 CB ILE A 26 28.750 17.367 15.407 1.00 36.68 C +ATOM 58 CG1 ILE A 26 28.079 18.667 15.858 1.00 35.81 C +ATOM 59 CG2 ILE A 26 28.264 17.027 13.994 1.00 35.31 C +ATOM 60 CD1 ILE A 26 28.332 19.839 14.932 1.00 37.40 C +ATOM 61 N THR A 27 28.286 17.055 18.699 1.00 30.49 N +ATOM 62 CA THR A 27 28.869 17.451 19.977 1.00 30.61 C +ATOM 63 C THR A 27 29.736 16.417 20.704 1.00 31.84 C +ATOM 64 O THR A 27 30.896 16.690 21.000 1.00 33.35 O +ATOM 65 CB THR A 27 27.780 18.003 20.918 1.00 28.71 C +ATOM 66 OG1 THR A 27 27.260 19.216 20.362 1.00 29.14 O +ATOM 67 CG2 THR A 27 28.340 18.316 22.286 1.00 27.61 C +ATOM 68 N PRO A 28 29.202 15.223 20.995 1.00 32.61 N +ATOM 69 CA PRO A 28 30.037 14.239 21.692 1.00 33.77 C +ATOM 70 C PRO A 28 31.363 14.035 20.969 1.00 34.19 C +ATOM 71 O PRO A 28 32.403 13.797 21.591 1.00 34.77 O +ATOM 72 CB PRO A 28 29.177 12.973 21.673 1.00 34.41 C +ATOM 73 CG PRO A 28 27.777 13.510 21.658 1.00 33.03 C +ATOM 74 CD PRO A 28 27.871 14.668 20.690 1.00 34.09 C +ATOM 75 N ASN A 29 31.311 14.133 19.645 1.00 33.76 N +ATOM 76 CA ASN A 29 32.493 13.957 18.814 1.00 33.68 C +ATOM 77 C ASN A 29 33.440 15.148 18.919 1.00 32.79 C +ATOM 78 O ASN A 29 34.658 14.970 18.988 1.00 30.16 O +ATOM 79 CB ASN A 29 32.084 13.769 17.351 1.00 36.54 C +ATOM 80 CG ASN A 29 30.985 12.747 17.184 1.00 38.06 C +ATOM 81 OD1 ASN A 29 29.814 13.034 17.434 1.00 38.68 O +ATOM 82 ND2 ASN A 29 31.356 11.540 16.772 1.00 37.15 N +ATOM 83 N LEU A 30 32.876 16.356 18.900 1.00 30.62 N +ATOM 84 CA LEU A 30 33.674 17.574 19.002 1.00 30.73 C +ATOM 85 C LEU A 30 34.396 17.579 20.350 1.00 31.35 C +ATOM 86 O LEU A 30 35.538 18.026 20.455 1.00 28.57 O +ATOM 87 CB LEU A 30 32.781 18.816 18.876 1.00 31.64 C +ATOM 88 CG LEU A 30 32.357 19.193 17.449 1.00 32.24 C +ATOM 89 CD1 LEU A 30 31.355 20.331 17.470 1.00 31.84 C +ATOM 90 CD2 LEU A 30 33.589 19.587 16.650 1.00 33.04 C +ATOM 91 N ALA A 31 33.722 17.060 21.373 1.00 31.26 N +ATOM 92 CA ALA A 31 34.298 16.991 22.710 1.00 31.69 C +ATOM 93 C ALA A 31 35.532 16.093 22.704 1.00 32.40 C +ATOM 94 O ALA A 31 36.581 16.465 23.238 1.00 32.31 O +ATOM 95 CB ALA A 31 33.261 16.459 23.701 1.00 32.11 C +ATOM 96 N GLU A 32 35.420 14.910 22.104 1.00 31.81 N +ATOM 97 CA GLU A 32 36.572 14.016 22.063 1.00 31.82 C +ATOM 98 C GLU A 32 37.684 14.634 21.231 1.00 30.27 C +ATOM 99 O GLU A 32 38.863 14.490 21.560 1.00 29.76 O +ATOM 100 CB GLU A 32 36.193 12.640 21.502 1.00 33.47 C +ATOM 101 CG GLU A 32 35.302 11.812 22.433 1.00 36.29 C +ATOM 102 CD GLU A 32 35.828 11.758 23.875 1.00 39.34 C +ATOM 103 OE1 GLU A 32 37.002 11.386 24.084 1.00 42.64 O +ATOM 104 OE2 GLU A 32 35.063 12.087 24.807 1.00 39.97 O +ATOM 105 N PHE A 33 37.309 15.323 20.156 1.00 28.55 N +ATOM 106 CA PHE A 33 38.296 15.973 19.299 1.00 28.58 C +ATOM 107 C PHE A 33 39.000 17.032 20.145 1.00 28.67 C +ATOM 108 O PHE A 33 40.224 17.059 20.236 1.00 29.91 O +ATOM 109 CB PHE A 33 37.615 16.634 18.090 1.00 27.18 C +ATOM 110 CG PHE A 33 38.565 17.400 17.194 1.00 27.64 C +ATOM 111 CD1 PHE A 33 39.684 16.778 16.647 1.00 26.69 C +ATOM 112 CD2 PHE A 33 38.339 18.742 16.900 1.00 25.48 C +ATOM 113 CE1 PHE A 33 40.568 17.484 15.818 1.00 28.85 C +ATOM 114 CE2 PHE A 33 39.210 19.452 16.074 1.00 26.93 C +ATOM 115 CZ PHE A 33 40.329 18.823 15.532 1.00 25.90 C +ATOM 116 N ALA A 34 38.202 17.889 20.775 1.00 28.86 N +ATOM 117 CA ALA A 34 38.712 18.947 21.628 1.00 30.54 C +ATOM 118 C ALA A 34 39.767 18.404 22.595 1.00 31.98 C +ATOM 119 O ALA A 34 40.858 18.969 22.707 1.00 31.44 O +ATOM 120 CB ALA A 34 37.554 19.589 22.410 1.00 27.22 C +ATOM 121 N PHE A 35 39.440 17.304 23.279 1.00 32.68 N +ATOM 122 CA PHE A 35 40.353 16.683 24.241 1.00 32.29 C +ATOM 123 C PHE A 35 41.629 16.149 23.609 1.00 32.88 C +ATOM 124 O PHE A 35 42.711 16.286 24.181 1.00 33.30 O +ATOM 125 CB PHE A 35 39.671 15.533 24.995 1.00 33.78 C +ATOM 126 CG PHE A 35 38.423 15.936 25.730 1.00 36.83 C +ATOM 127 CD1 PHE A 35 38.303 17.210 26.295 1.00 37.95 C +ATOM 128 CD2 PHE A 35 37.366 15.038 25.868 1.00 35.23 C +ATOM 129 CE1 PHE A 35 37.144 17.582 26.982 1.00 36.91 C +ATOM 130 CE2 PHE A 35 36.207 15.400 26.552 1.00 34.19 C +ATOM 131 CZ PHE A 35 36.094 16.674 27.110 1.00 35.58 C +ATOM 132 N SER A 36 41.505 15.534 22.439 1.00 31.85 N +ATOM 133 CA SER A 36 42.668 14.974 21.754 1.00 33.94 C +ATOM 134 C SER A 36 43.666 16.056 21.369 1.00 31.61 C +ATOM 135 O SER A 36 44.868 15.920 21.600 1.00 31.48 O +ATOM 136 CB SER A 36 42.238 14.223 20.486 1.00 32.38 C +ATOM 137 OG SER A 36 41.395 13.138 20.814 1.00 41.90 O +ATOM 138 N LEU A 37 43.156 17.119 20.764 1.00 30.82 N +ATOM 139 CA LEU A 37 43.994 18.226 20.331 1.00 31.54 C +ATOM 140 C LEU A 37 44.606 18.900 21.566 1.00 31.08 C +ATOM 141 O LEU A 37 45.812 19.150 21.617 1.00 29.82 O +ATOM 142 CB LEU A 37 43.149 19.221 19.522 1.00 31.12 C +ATOM 143 CG LEU A 37 43.870 20.036 18.447 1.00 32.74 C +ATOM 144 CD1 LEU A 37 42.869 20.658 17.494 1.00 31.64 C +ATOM 145 CD2 LEU A 37 44.717 21.099 19.118 1.00 34.72 C +ATOM 146 N TYR A 38 43.776 19.170 22.570 1.00 29.94 N +ATOM 147 CA TYR A 38 44.268 19.806 23.781 1.00 30.39 C +ATOM 148 C TYR A 38 45.425 19.010 24.375 1.00 30.11 C +ATOM 149 O TYR A 38 46.530 19.527 24.525 1.00 29.38 O +ATOM 150 CB TYR A 38 43.160 19.928 24.832 1.00 28.87 C +ATOM 151 CG TYR A 38 43.623 20.659 26.076 1.00 30.31 C +ATOM 152 CD1 TYR A 38 43.666 22.059 26.111 1.00 31.52 C +ATOM 153 CD2 TYR A 38 44.098 19.958 27.187 1.00 28.72 C +ATOM 154 CE1 TYR A 38 44.178 22.742 27.220 1.00 29.89 C +ATOM 155 CE2 TYR A 38 44.616 20.631 28.302 1.00 30.02 C +ATOM 156 CZ TYR A 38 44.653 22.025 28.306 1.00 30.42 C +ATOM 157 OH TYR A 38 45.177 22.700 29.381 1.00 28.79 O +ATOM 158 N ARG A 39 45.163 17.750 24.712 1.00 29.75 N +ATOM 159 CA ARG A 39 46.176 16.892 25.310 1.00 31.65 C +ATOM 160 C ARG A 39 47.453 16.773 24.495 1.00 32.66 C +ATOM 161 O ARG A 39 48.532 16.577 25.051 1.00 32.37 O +ATOM 162 CB ARG A 39 45.598 15.504 25.594 1.00 29.44 C +ATOM 163 CG ARG A 39 44.573 15.547 26.698 1.00 29.28 C +ATOM 164 CD ARG A 39 44.169 14.178 27.208 1.00 30.47 C +ATOM 165 NE ARG A 39 43.288 14.332 28.364 1.00 31.14 N +ATOM 166 CZ ARG A 39 42.005 13.993 28.382 1.00 30.60 C +ATOM 167 NH1 ARG A 39 41.438 13.467 27.306 1.00 33.08 N +ATOM 168 NH2 ARG A 39 41.285 14.198 29.472 1.00 32.74 N +ATOM 169 N GLN A 40 47.345 16.894 23.182 1.00 33.09 N +ATOM 170 CA GLN A 40 48.538 16.819 22.364 1.00 35.60 C +ATOM 171 C GLN A 40 49.431 18.008 22.707 1.00 36.82 C +ATOM 172 O GLN A 40 50.638 17.862 22.917 1.00 37.45 O +ATOM 173 CB GLN A 40 48.177 16.857 20.885 1.00 36.33 C +ATOM 174 CG GLN A 40 49.377 17.090 19.986 1.00 42.23 C +ATOM 175 CD GLN A 40 48.978 17.296 18.546 1.00 45.02 C +ATOM 176 OE1 GLN A 40 49.572 18.107 17.831 1.00 47.21 O +ATOM 177 NE2 GLN A 40 47.967 16.557 18.104 1.00 47.94 N +ATOM 178 N LEU A 41 48.822 19.187 22.773 1.00 37.69 N +ATOM 179 CA LEU A 41 49.543 20.415 23.086 1.00 36.33 C +ATOM 180 C LEU A 41 49.990 20.452 24.540 1.00 36.16 C +ATOM 181 O LEU A 41 51.085 20.922 24.849 1.00 37.98 O +ATOM 182 CB LEU A 41 48.657 21.623 22.802 1.00 34.74 C +ATOM 183 CG LEU A 41 48.146 21.735 21.369 1.00 34.61 C +ATOM 184 CD1 LEU A 41 47.167 22.902 21.267 1.00 33.01 C +ATOM 185 CD2 LEU A 41 49.329 21.922 20.420 1.00 33.10 C +ATOM 186 N ALA A 42 49.146 19.954 25.434 1.00 35.22 N +ATOM 187 CA ALA A 42 49.476 19.957 26.850 1.00 36.07 C +ATOM 188 C ALA A 42 50.548 18.936 27.216 1.00 38.45 C +ATOM 189 O ALA A 42 51.205 19.059 28.253 1.00 40.39 O +ATOM 190 CB ALA A 42 48.225 19.714 27.674 1.00 34.21 C +ATOM 191 N HIS A 43 50.728 17.923 26.377 1.00 39.81 N +ATOM 192 CA HIS A 43 51.734 16.907 26.657 1.00 41.65 C +ATOM 193 C HIS A 43 53.119 17.374 26.232 1.00 40.50 C +ATOM 194 O HIS A 43 54.129 16.823 26.665 1.00 39.12 O +ATOM 195 CB HIS A 43 51.371 15.594 25.959 1.00 45.09 C +ATOM 196 CG HIS A 43 50.302 14.818 26.665 1.00 50.92 C +ATOM 197 ND1 HIS A 43 49.383 15.411 27.507 1.00 52.47 N +ATOM 198 CD2 HIS A 43 49.988 13.500 26.637 1.00 52.39 C +ATOM 199 CE1 HIS A 43 48.552 14.493 27.966 1.00 54.12 C +ATOM 200 NE2 HIS A 43 48.897 13.325 27.454 1.00 54.75 N +ATOM 201 N GLN A 44 53.161 18.399 25.391 1.00 39.07 N +ATOM 202 CA GLN A 44 54.427 18.940 24.920 1.00 39.76 C +ATOM 203 C GLN A 44 55.048 19.878 25.952 1.00 38.69 C +ATOM 204 O GLN A 44 56.265 19.931 26.106 1.00 39.74 O +ATOM 205 CB GLN A 44 54.209 19.693 23.617 1.00 42.73 C +ATOM 206 CG GLN A 44 53.647 18.832 22.510 1.00 46.45 C +ATOM 207 CD GLN A 44 53.394 19.619 21.248 1.00 49.13 C +ATOM 208 OE1 GLN A 44 52.982 19.064 20.232 1.00 53.78 O +ATOM 209 NE2 GLN A 44 53.638 20.924 21.303 1.00 52.53 N +ATOM 210 N SER A 45 54.200 20.605 26.671 1.00 37.98 N +ATOM 211 CA SER A 45 54.665 21.550 27.675 1.00 35.59 C +ATOM 212 C SER A 45 53.581 21.848 28.696 1.00 34.26 C +ATOM 213 O SER A 45 52.402 21.871 28.368 1.00 34.20 O +ATOM 214 CB SER A 45 55.093 22.858 26.994 1.00 34.47 C +ATOM 215 OG SER A 45 55.238 23.905 27.938 1.00 34.85 O +ATOM 216 N ASN A 46 53.981 22.088 29.937 1.00 34.87 N +ATOM 217 CA ASN A 46 53.012 22.405 30.973 1.00 36.21 C +ATOM 218 C ASN A 46 52.993 23.897 31.253 1.00 34.18 C +ATOM 219 O ASN A 46 52.254 24.350 32.124 1.00 32.91 O +ATOM 220 CB ASN A 46 53.337 21.668 32.277 1.00 39.70 C +ATOM 221 CG ASN A 46 54.695 22.052 32.850 1.00 43.25 C +ATOM 222 OD1 ASN A 46 55.152 23.188 32.703 1.00 45.33 O +ATOM 223 ND2 ASN A 46 55.336 21.105 33.528 1.00 44.62 N +ATOM 224 N SER A 47 53.797 24.659 30.513 1.00 32.35 N +ATOM 225 CA SER A 47 53.878 26.092 30.754 1.00 31.84 C +ATOM 226 C SER A 47 53.523 26.992 29.583 1.00 32.01 C +ATOM 227 O SER A 47 53.874 28.170 29.588 1.00 32.57 O +ATOM 228 CB SER A 47 55.281 26.449 31.234 1.00 30.59 C +ATOM 229 OG SER A 47 56.216 26.278 30.185 1.00 29.89 O +ATOM 230 N THR A 48 52.844 26.456 28.578 1.00 30.58 N +ATOM 231 CA THR A 48 52.459 27.269 27.434 1.00 29.28 C +ATOM 232 C THR A 48 50.983 27.611 27.503 1.00 30.85 C +ATOM 233 O THR A 48 50.171 26.844 28.041 1.00 29.66 O +ATOM 234 CB THR A 48 52.675 26.537 26.103 1.00 31.58 C +ATOM 235 OG1 THR A 48 51.888 25.337 26.097 1.00 30.20 O +ATOM 236 CG2 THR A 48 54.147 26.201 25.902 1.00 30.57 C +ATOM 237 N ASN A 49 50.642 28.773 26.961 1.00 30.42 N +ATOM 238 CA ASN A 49 49.252 29.203 26.913 1.00 31.25 C +ATOM 239 C ASN A 49 48.653 28.456 25.732 1.00 30.04 C +ATOM 240 O ASN A 49 49.335 28.221 24.734 1.00 30.16 O +ATOM 241 CB ASN A 49 49.147 30.714 26.663 1.00 30.42 C +ATOM 242 CG ASN A 49 49.552 31.535 27.870 1.00 31.21 C +ATOM 243 OD1 ASN A 49 49.119 31.264 28.991 1.00 29.82 O +ATOM 244 ND2 ASN A 49 50.375 32.553 27.646 1.00 29.02 N +ATOM 245 N ILE A 50 47.386 28.081 25.840 1.00 29.18 N +ATOM 246 CA ILE A 50 46.728 27.367 24.759 1.00 26.66 C +ATOM 247 C ILE A 50 45.380 27.996 24.494 1.00 26.21 C +ATOM 248 O ILE A 50 44.710 28.434 25.421 1.00 27.73 O +ATOM 249 CB ILE A 50 46.513 25.875 25.121 1.00 28.00 C +ATOM 250 CG1 ILE A 50 47.862 25.184 25.321 1.00 23.64 C +ATOM 251 CG2 ILE A 50 45.707 25.170 24.011 1.00 25.82 C +ATOM 252 CD1 ILE A 50 47.757 23.821 26.023 1.00 26.87 C +ATOM 253 N LEU A 51 45.000 28.062 23.222 1.00 26.48 N +ATOM 254 CA LEU A 51 43.696 28.594 22.827 1.00 28.85 C +ATOM 255 C LEU A 51 43.398 28.169 21.400 1.00 29.36 C +ATOM 256 O LEU A 51 44.126 28.529 20.464 1.00 29.85 O +ATOM 257 CB LEU A 51 43.638 30.128 22.898 1.00 29.52 C +ATOM 258 CG LEU A 51 42.253 30.694 22.512 1.00 30.04 C +ATOM 259 CD1 LEU A 51 41.269 30.437 23.653 1.00 29.55 C +ATOM 260 CD2 LEU A 51 42.328 32.197 22.239 1.00 27.45 C +ATOM 261 N PHE A 52 42.340 27.389 21.233 1.00 28.03 N +ATOM 262 CA PHE A 52 41.948 26.953 19.906 1.00 28.38 C +ATOM 263 C PHE A 52 40.456 26.670 19.902 1.00 28.05 C +ATOM 264 O PHE A 52 39.835 26.555 20.956 1.00 28.76 O +ATOM 265 CB PHE A 52 42.731 25.702 19.489 1.00 27.80 C +ATOM 266 CG PHE A 52 42.399 24.478 20.293 1.00 29.03 C +ATOM 267 CD1 PHE A 52 43.084 24.195 21.474 1.00 28.04 C +ATOM 268 CD2 PHE A 52 41.392 23.612 19.875 1.00 27.47 C +ATOM 269 CE1 PHE A 52 42.774 23.063 22.234 1.00 27.84 C +ATOM 270 CE2 PHE A 52 41.069 22.477 20.624 1.00 29.03 C +ATOM 271 CZ PHE A 52 41.761 22.200 21.810 1.00 27.86 C +ATOM 272 N SER A 53 39.875 26.579 18.713 1.00 28.68 N +ATOM 273 CA SER A 53 38.451 26.302 18.597 1.00 29.05 C +ATOM 274 C SER A 53 38.219 24.919 18.020 1.00 29.11 C +ATOM 275 O SER A 53 38.506 24.674 16.850 1.00 29.75 O +ATOM 276 CB SER A 53 37.767 27.335 17.703 1.00 27.89 C +ATOM 277 OG SER A 53 36.406 26.998 17.509 1.00 26.52 O +ATOM 278 N PRO A 54 37.720 23.987 18.844 1.00 30.05 N +ATOM 279 CA PRO A 54 37.463 22.631 18.353 1.00 29.39 C +ATOM 280 C PRO A 54 36.475 22.712 17.193 1.00 29.49 C +ATOM 281 O PRO A 54 36.685 22.121 16.134 1.00 28.59 O +ATOM 282 CB PRO A 54 36.860 21.932 19.567 1.00 29.62 C +ATOM 283 CG PRO A 54 37.517 22.647 20.724 1.00 29.27 C +ATOM 284 CD PRO A 54 37.471 24.086 20.294 1.00 28.45 C +ATOM 285 N VAL A 55 35.400 23.463 17.409 1.00 29.55 N +ATOM 286 CA VAL A 55 34.359 23.647 16.406 1.00 29.51 C +ATOM 287 C VAL A 55 34.931 24.156 15.089 1.00 32.52 C +ATOM 288 O VAL A 55 34.776 23.526 14.038 1.00 33.15 O +ATOM 289 CB VAL A 55 33.302 24.652 16.908 1.00 29.53 C +ATOM 290 CG1 VAL A 55 32.416 25.102 15.763 1.00 32.56 C +ATOM 291 CG2 VAL A 55 32.454 24.014 17.996 1.00 29.73 C +ATOM 292 N SER A 56 35.592 25.305 15.164 1.00 32.69 N +ATOM 293 CA SER A 56 36.193 25.962 14.013 1.00 33.63 C +ATOM 294 C SER A 56 37.154 25.070 13.227 1.00 32.73 C +ATOM 295 O SER A 56 37.117 25.030 11.999 1.00 33.51 O +ATOM 296 CB SER A 56 36.924 27.223 14.490 1.00 34.60 C +ATOM 297 OG SER A 56 37.528 27.909 13.418 1.00 41.35 O +ATOM 298 N ILE A 57 38.021 24.359 13.930 1.00 31.67 N +ATOM 299 CA ILE A 57 38.979 23.492 13.262 1.00 32.16 C +ATOM 300 C ILE A 57 38.324 22.262 12.636 1.00 33.83 C +ATOM 301 O ILE A 57 38.641 21.895 11.507 1.00 36.25 O +ATOM 302 CB ILE A 57 40.093 23.044 14.239 1.00 30.71 C +ATOM 303 CG1 ILE A 57 40.940 24.263 14.637 1.00 30.98 C +ATOM 304 CG2 ILE A 57 40.958 21.957 13.595 1.00 26.25 C +ATOM 305 CD1 ILE A 57 42.026 23.973 15.671 1.00 28.79 C +ATOM 306 N ALA A 58 37.409 21.629 13.363 1.00 33.98 N +ATOM 307 CA ALA A 58 36.731 20.440 12.857 1.00 34.79 C +ATOM 308 C ALA A 58 35.825 20.769 11.667 1.00 35.94 C +ATOM 309 O ALA A 58 35.766 20.008 10.691 1.00 35.11 O +ATOM 310 CB ALA A 58 35.921 19.785 13.972 1.00 32.10 C +ATOM 311 N ALA A 59 35.120 21.895 11.742 1.00 34.13 N +ATOM 312 CA ALA A 59 34.239 22.287 10.649 1.00 34.81 C +ATOM 313 C ALA A 59 35.051 22.459 9.369 1.00 36.41 C +ATOM 314 O ALA A 59 34.669 21.967 8.305 1.00 38.33 O +ATOM 315 CB ALA A 59 33.515 23.587 10.990 1.00 32.13 C +ATOM 316 N ALA A 60 36.183 23.147 9.489 1.00 36.39 N +ATOM 317 CA ALA A 60 37.067 23.415 8.363 1.00 35.57 C +ATOM 318 C ALA A 60 37.579 22.156 7.663 1.00 36.47 C +ATOM 319 O ALA A 60 37.723 22.133 6.441 1.00 34.50 O +ATOM 320 CB ALA A 60 38.246 24.263 8.830 1.00 34.53 C +ATOM 321 N PHE A 61 37.878 21.112 8.427 1.00 37.51 N +ATOM 322 CA PHE A 61 38.368 19.885 7.816 1.00 38.39 C +ATOM 323 C PHE A 61 37.254 18.933 7.408 1.00 38.96 C +ATOM 324 O PHE A 61 37.471 18.021 6.606 1.00 38.29 O +ATOM 325 CB PHE A 61 39.385 19.197 8.729 1.00 37.55 C +ATOM 326 CG PHE A 61 40.767 19.758 8.590 1.00 39.32 C +ATOM 327 CD1 PHE A 61 41.083 21.004 9.122 1.00 39.32 C +ATOM 328 CD2 PHE A 61 41.732 19.081 7.850 1.00 39.63 C +ATOM 329 CE1 PHE A 61 42.339 21.574 8.914 1.00 39.30 C +ATOM 330 CE2 PHE A 61 42.993 19.643 7.636 1.00 40.32 C +ATOM 331 CZ PHE A 61 43.295 20.894 8.170 1.00 39.27 C +ATOM 332 N ALA A 62 36.061 19.155 7.954 1.00 40.11 N +ATOM 333 CA ALA A 62 34.901 18.347 7.598 1.00 41.48 C +ATOM 334 C ALA A 62 34.515 18.874 6.225 1.00 42.02 C +ATOM 335 O ALA A 62 34.073 18.129 5.349 1.00 43.18 O +ATOM 336 CB ALA A 62 33.769 18.574 8.583 1.00 40.33 C +ATOM 337 N MET A 63 34.698 20.179 6.054 1.00 41.77 N +ATOM 338 CA MET A 63 34.402 20.844 4.796 1.00 41.77 C +ATOM 339 C MET A 63 35.382 20.346 3.739 1.00 41.16 C +ATOM 340 O MET A 63 34.997 20.019 2.622 1.00 40.20 O +ATOM 341 CB MET A 63 34.546 22.351 4.971 1.00 42.03 C +ATOM 342 CG MET A 63 34.547 23.141 3.680 1.00 44.31 C +ATOM 343 SD MET A 63 34.895 24.876 4.022 1.00 48.90 S +ATOM 344 CE MET A 63 36.678 24.827 4.202 1.00 48.02 C +ATOM 345 N LEU A 64 36.653 20.283 4.112 1.00 41.81 N +ATOM 346 CA LEU A 64 37.704 19.827 3.212 1.00 43.95 C +ATOM 347 C LEU A 64 37.497 18.378 2.759 1.00 44.40 C +ATOM 348 O LEU A 64 37.794 18.030 1.615 1.00 44.23 O +ATOM 349 CB LEU A 64 39.064 19.955 3.902 1.00 43.81 C +ATOM 350 CG LEU A 64 40.300 19.525 3.112 1.00 43.95 C +ATOM 351 CD1 LEU A 64 40.490 20.447 1.917 1.00 44.53 C +ATOM 352 CD2 LEU A 64 41.524 19.563 4.020 1.00 42.99 C +ATOM 353 N SER A 65 36.990 17.538 3.657 1.00 43.68 N +ATOM 354 CA SER A 65 36.757 16.133 3.343 1.00 43.60 C +ATOM 355 C SER A 65 35.754 15.984 2.202 1.00 43.09 C +ATOM 356 O SER A 65 35.685 14.937 1.566 1.00 43.37 O +ATOM 357 CB SER A 65 36.253 15.377 4.584 1.00 42.79 C +ATOM 358 OG SER A 65 34.948 15.795 4.948 1.00 41.05 O +ATOM 359 N LEU A 66 34.976 17.030 1.952 1.00 44.06 N +ATOM 360 CA LEU A 66 33.994 17.006 0.871 1.00 44.65 C +ATOM 361 C LEU A 66 34.684 16.851 -0.481 1.00 44.95 C +ATOM 362 O LEU A 66 34.086 16.365 -1.438 1.00 45.97 O +ATOM 363 CB LEU A 66 33.173 18.294 0.867 1.00 45.02 C +ATOM 364 CG LEU A 66 32.153 18.483 1.986 1.00 43.48 C +ATOM 365 CD1 LEU A 66 31.493 19.843 1.840 1.00 42.57 C +ATOM 366 CD2 LEU A 66 31.117 17.380 1.916 1.00 42.81 C +ATOM 367 N GLY A 67 35.944 17.274 -0.548 1.00 45.19 N +ATOM 368 CA GLY A 67 36.707 17.175 -1.780 1.00 43.62 C +ATOM 369 C GLY A 67 37.725 16.048 -1.736 1.00 44.64 C +ATOM 370 O GLY A 67 38.493 15.853 -2.680 1.00 45.59 O +ATOM 371 N ALA A 68 37.745 15.308 -0.633 1.00 43.95 N +ATOM 372 CA ALA A 68 38.668 14.187 -0.487 1.00 43.65 C +ATOM 373 C ALA A 68 37.937 12.878 -0.795 1.00 44.05 C +ATOM 374 O ALA A 68 36.702 12.837 -0.830 1.00 42.60 O +ATOM 375 CB ALA A 68 39.229 14.151 0.930 1.00 42.51 C +ATOM 376 N LYS A 69 38.703 11.814 -1.019 1.00 43.48 N +ATOM 377 CA LYS A 69 38.128 10.508 -1.313 1.00 45.73 C +ATOM 378 C LYS A 69 39.049 9.396 -0.839 1.00 46.42 C +ATOM 379 O LYS A 69 40.197 9.645 -0.470 1.00 47.10 O +ATOM 380 CB LYS A 69 37.859 10.372 -2.821 1.00 45.91 C +ATOM 381 CG LYS A 69 36.725 11.268 -3.305 1.00 47.72 C +ATOM 382 CD LYS A 69 36.559 11.288 -4.818 1.00 47.76 C +ATOM 383 CE LYS A 69 35.451 12.272 -5.195 1.00 48.21 C +ATOM 384 NZ LYS A 69 35.256 12.415 -6.662 1.00 50.35 N +ATOM 385 N GLY A 70 38.539 8.169 -0.844 1.00 47.42 N +ATOM 386 CA GLY A 70 39.337 7.037 -0.413 1.00 49.48 C +ATOM 387 C GLY A 70 39.739 7.151 1.041 1.00 50.65 C +ATOM 388 O GLY A 70 38.991 7.689 1.857 1.00 51.14 O +ATOM 389 N ASP A 71 40.922 6.648 1.373 1.00 51.50 N +ATOM 390 CA ASP A 71 41.398 6.707 2.748 1.00 52.52 C +ATOM 391 C ASP A 71 41.691 8.142 3.172 1.00 52.01 C +ATOM 392 O ASP A 71 41.634 8.464 4.361 1.00 51.89 O +ATOM 393 CB ASP A 71 42.646 5.838 2.921 1.00 55.28 C +ATOM 394 CG ASP A 71 42.380 4.369 2.622 1.00 59.20 C +ATOM 395 OD1 ASP A 71 41.313 3.857 3.032 1.00 60.30 O +ATOM 396 OD2 ASP A 71 43.240 3.721 1.986 1.00 62.93 O +ATOM 397 N THR A 72 42.003 8.998 2.199 1.00 50.04 N +ATOM 398 CA THR A 72 42.282 10.403 2.475 1.00 48.34 C +ATOM 399 C THR A 72 41.072 11.005 3.175 1.00 47.30 C +ATOM 400 O THR A 72 41.200 11.717 4.172 1.00 47.79 O +ATOM 401 CB THR A 72 42.540 11.195 1.177 1.00 47.98 C +ATOM 402 OG1 THR A 72 43.744 10.724 0.559 1.00 47.77 O +ATOM 403 CG2 THR A 72 42.676 12.682 1.476 1.00 47.65 C +ATOM 404 N HIS A 73 39.895 10.700 2.642 1.00 46.34 N +ATOM 405 CA HIS A 73 38.634 11.189 3.188 1.00 45.85 C +ATOM 406 C HIS A 73 38.301 10.558 4.541 1.00 47.53 C +ATOM 407 O HIS A 73 37.949 11.258 5.494 1.00 46.87 O +ATOM 408 CB HIS A 73 37.512 10.917 2.182 1.00 42.64 C +ATOM 409 CG HIS A 73 36.134 11.063 2.746 1.00 40.45 C +ATOM 410 ND1 HIS A 73 35.587 10.149 3.622 1.00 40.30 N +ATOM 411 CD2 HIS A 73 35.185 12.008 2.547 1.00 37.69 C +ATOM 412 CE1 HIS A 73 34.360 10.525 3.936 1.00 39.31 C +ATOM 413 NE2 HIS A 73 34.092 11.649 3.296 1.00 38.88 N +ATOM 414 N ASP A 74 38.417 9.237 4.623 1.00 48.77 N +ATOM 415 CA ASP A 74 38.116 8.518 5.856 1.00 50.02 C +ATOM 416 C ASP A 74 39.034 8.948 6.990 1.00 49.28 C +ATOM 417 O ASP A 74 38.592 9.139 8.124 1.00 49.02 O +ATOM 418 CB ASP A 74 38.255 7.010 5.626 1.00 52.69 C +ATOM 419 CG ASP A 74 37.128 6.441 4.775 1.00 56.48 C +ATOM 420 OD1 ASP A 74 36.812 7.031 3.717 1.00 56.94 O +ATOM 421 OD2 ASP A 74 36.559 5.396 5.162 1.00 59.74 O +ATOM 422 N GLU A 75 40.314 9.104 6.672 1.00 48.52 N +ATOM 423 CA GLU A 75 41.311 9.500 7.656 1.00 46.97 C +ATOM 424 C GLU A 75 41.000 10.861 8.282 1.00 46.00 C +ATOM 425 O GLU A 75 41.263 11.079 9.465 1.00 46.07 O +ATOM 426 CB GLU A 75 42.699 9.525 7.008 1.00 47.41 C +ATOM 427 CG GLU A 75 43.847 9.454 7.998 1.00 48.33 C +ATOM 428 CD GLU A 75 45.200 9.467 7.323 1.00 49.74 C +ATOM 429 OE1 GLU A 75 45.530 10.483 6.672 1.00 49.06 O +ATOM 430 OE2 GLU A 75 45.932 8.462 7.440 1.00 50.69 O +ATOM 431 N ILE A 76 40.448 11.778 7.491 1.00 44.41 N +ATOM 432 CA ILE A 76 40.108 13.100 8.004 1.00 42.67 C +ATOM 433 C ILE A 76 39.017 12.997 9.062 1.00 43.32 C +ATOM 434 O ILE A 76 39.218 13.382 10.213 1.00 42.21 O +ATOM 435 CB ILE A 76 39.595 14.045 6.887 1.00 40.71 C +ATOM 436 CG1 ILE A 76 40.735 14.431 5.948 1.00 40.90 C +ATOM 437 CG2 ILE A 76 39.007 15.302 7.498 1.00 37.74 C +ATOM 438 CD1 ILE A 76 40.282 15.275 4.763 1.00 39.56 C +ATOM 439 N LEU A 77 37.860 12.476 8.664 1.00 44.48 N +ATOM 440 CA LEU A 77 36.737 12.345 9.579 1.00 45.88 C +ATOM 441 C LEU A 77 37.050 11.470 10.788 1.00 46.93 C +ATOM 442 O LEU A 77 36.603 11.757 11.899 1.00 47.30 O +ATOM 443 CB LEU A 77 35.509 11.819 8.832 1.00 46.04 C +ATOM 444 CG LEU A 77 34.940 12.784 7.782 1.00 46.73 C +ATOM 445 CD1 LEU A 77 33.652 12.220 7.199 1.00 44.61 C +ATOM 446 CD2 LEU A 77 34.670 14.143 8.421 1.00 45.87 C +ATOM 447 N GLU A 78 37.819 10.408 10.586 1.00 48.16 N +ATOM 448 CA GLU A 78 38.172 9.545 11.702 1.00 50.21 C +ATOM 449 C GLU A 78 39.154 10.295 12.601 1.00 48.99 C +ATOM 450 O GLU A 78 39.297 9.986 13.785 1.00 49.58 O +ATOM 451 CB GLU A 78 38.789 8.237 11.192 1.00 53.74 C +ATOM 452 CG GLU A 78 37.808 7.390 10.389 1.00 59.72 C +ATOM 453 CD GLU A 78 38.404 6.085 9.883 1.00 63.62 C +ATOM 454 OE1 GLU A 78 39.388 6.131 9.109 1.00 64.99 O +ATOM 455 OE2 GLU A 78 37.882 5.011 10.258 1.00 65.76 O +ATOM 456 N GLY A 79 39.822 11.292 12.029 1.00 46.81 N +ATOM 457 CA GLY A 79 40.770 12.085 12.787 1.00 44.07 C +ATOM 458 C GLY A 79 40.058 13.120 13.640 1.00 42.88 C +ATOM 459 O GLY A 79 40.623 13.641 14.599 1.00 42.55 O +ATOM 460 N LEU A 80 38.814 13.424 13.285 1.00 41.66 N +ATOM 461 CA LEU A 80 38.022 14.389 14.035 1.00 41.21 C +ATOM 462 C LEU A 80 37.160 13.655 15.060 1.00 42.00 C +ATOM 463 O LEU A 80 36.206 14.215 15.601 1.00 39.38 O +ATOM 464 CB LEU A 80 37.129 15.200 13.090 1.00 37.88 C +ATOM 465 CG LEU A 80 37.828 15.966 11.962 1.00 37.09 C +ATOM 466 CD1 LEU A 80 36.791 16.759 11.165 1.00 35.20 C +ATOM 467 CD2 LEU A 80 38.883 16.898 12.544 1.00 34.98 C +ATOM 468 N ASN A 81 37.507 12.395 15.311 1.00 43.98 N +ATOM 469 CA ASN A 81 36.795 11.554 16.270 1.00 47.47 C +ATOM 470 C ASN A 81 35.370 11.173 15.862 1.00 48.34 C +ATOM 471 O ASN A 81 34.497 10.983 16.710 1.00 48.75 O +ATOM 472 CB ASN A 81 36.793 12.224 17.648 1.00 48.80 C +ATOM 473 CG ASN A 81 38.155 12.160 18.325 1.00 52.92 C +ATOM 474 OD1 ASN A 81 38.526 11.134 18.896 1.00 54.78 O +ATOM 475 ND2 ASN A 81 38.913 13.253 18.249 1.00 53.29 N +ATOM 476 N PHE A 82 35.143 11.059 14.558 1.00 49.26 N +ATOM 477 CA PHE A 82 33.838 10.667 14.032 1.00 52.05 C +ATOM 478 C PHE A 82 33.935 9.229 13.536 1.00 54.44 C +ATOM 479 O PHE A 82 34.804 8.914 12.731 1.00 54.61 O +ATOM 480 CB PHE A 82 33.437 11.567 12.860 1.00 49.41 C +ATOM 481 CG PHE A 82 32.773 12.849 13.267 1.00 46.54 C +ATOM 482 CD1 PHE A 82 31.482 12.844 13.787 1.00 45.24 C +ATOM 483 CD2 PHE A 82 33.427 14.066 13.105 1.00 45.32 C +ATOM 484 CE1 PHE A 82 30.853 14.031 14.135 1.00 43.90 C +ATOM 485 CE2 PHE A 82 32.804 15.258 13.451 1.00 44.07 C +ATOM 486 CZ PHE A 82 31.514 15.240 13.967 1.00 43.96 C +ATOM 487 N ASN A 83 33.056 8.355 14.015 1.00 59.60 N +ATOM 488 CA ASN A 83 33.078 6.961 13.575 1.00 63.41 C +ATOM 489 C ASN A 83 32.150 6.821 12.373 1.00 65.28 C +ATOM 490 O ASN A 83 30.927 6.900 12.509 1.00 64.97 O +ATOM 491 CB ASN A 83 32.616 6.025 14.694 1.00 65.03 C +ATOM 492 CG ASN A 83 32.890 4.565 14.378 1.00 67.61 C +ATOM 493 OD1 ASN A 83 32.534 4.074 13.308 1.00 69.08 O +ATOM 494 ND2 ASN A 83 33.525 3.864 15.312 1.00 67.97 N +ATOM 495 N LEU A 84 32.741 6.617 11.200 1.00 67.43 N +ATOM 496 CA LEU A 84 31.982 6.487 9.962 1.00 69.75 C +ATOM 497 C LEU A 84 31.038 5.294 9.933 1.00 70.70 C +ATOM 498 O LEU A 84 30.154 5.220 9.078 1.00 71.34 O +ATOM 499 CB LEU A 84 32.932 6.416 8.761 1.00 70.89 C +ATOM 500 CG LEU A 84 33.699 7.694 8.399 1.00 71.21 C +ATOM 501 CD1 LEU A 84 32.714 8.835 8.161 1.00 70.12 C +ATOM 502 CD2 LEU A 84 34.663 8.050 9.515 1.00 71.08 C +ATOM 503 N THR A 85 31.222 4.359 10.860 1.00 71.10 N +ATOM 504 CA THR A 85 30.359 3.185 10.915 1.00 71.82 C +ATOM 505 C THR A 85 29.360 3.290 12.068 1.00 71.58 C +ATOM 506 O THR A 85 28.949 2.279 12.635 1.00 72.92 O +ATOM 507 CB THR A 85 31.179 1.883 11.083 1.00 72.33 C +ATOM 508 OG1 THR A 85 31.678 1.796 12.423 1.00 72.58 O +ATOM 509 CG2 THR A 85 32.354 1.865 10.110 1.00 72.90 C +ATOM 510 N GLU A 86 28.980 4.517 12.416 1.00 70.59 N +ATOM 511 CA GLU A 86 28.021 4.749 13.494 1.00 69.79 C +ATOM 512 C GLU A 86 27.108 5.930 13.183 1.00 68.97 C +ATOM 513 O GLU A 86 25.996 6.021 13.707 1.00 69.09 O +ATOM 514 CB GLU A 86 28.742 4.995 14.819 1.00 70.44 C +ATOM 515 CG GLU A 86 29.497 3.791 15.341 1.00 72.23 C +ATOM 516 CD GLU A 86 30.116 4.044 16.701 1.00 73.98 C +ATOM 517 OE1 GLU A 86 29.361 4.192 17.688 1.00 73.47 O +ATOM 518 OE2 GLU A 86 31.362 4.103 16.779 1.00 75.27 O +ATOM 519 N ILE A 87 27.583 6.841 12.342 1.00 67.74 N +ATOM 520 CA ILE A 87 26.782 7.993 11.950 1.00 67.09 C +ATOM 521 C ILE A 87 27.103 8.392 10.514 1.00 65.68 C +ATOM 522 O ILE A 87 28.269 8.532 10.143 1.00 65.45 O +ATOM 523 CB ILE A 87 27.006 9.208 12.890 1.00 67.99 C +ATOM 524 CG1 ILE A 87 26.064 10.349 12.485 1.00 68.13 C +ATOM 525 CG2 ILE A 87 28.462 9.656 12.842 1.00 67.53 C +ATOM 526 CD1 ILE A 87 25.949 11.459 13.509 1.00 69.09 C +ATOM 527 N PRO A 88 26.062 8.560 9.682 1.00 64.25 N +ATOM 528 CA PRO A 88 26.188 8.941 8.273 1.00 63.10 C +ATOM 529 C PRO A 88 26.910 10.273 8.068 1.00 61.69 C +ATOM 530 O PRO A 88 26.685 11.236 8.799 1.00 60.42 O +ATOM 531 CB PRO A 88 24.737 9.008 7.804 1.00 63.78 C +ATOM 532 CG PRO A 88 24.051 8.017 8.680 1.00 64.44 C +ATOM 533 CD PRO A 88 24.650 8.320 10.025 1.00 64.38 C +ATOM 534 N GLU A 89 27.769 10.312 7.059 1.00 60.66 N +ATOM 535 CA GLU A 89 28.525 11.510 6.726 1.00 59.60 C +ATOM 536 C GLU A 89 27.598 12.712 6.534 1.00 58.12 C +ATOM 537 O GLU A 89 27.988 13.858 6.775 1.00 58.52 O +ATOM 538 CB GLU A 89 29.321 11.267 5.443 1.00 60.68 C +ATOM 539 CG GLU A 89 30.200 12.420 5.017 1.00 63.95 C +ATOM 540 CD GLU A 89 30.842 12.176 3.667 1.00 67.54 C +ATOM 541 OE1 GLU A 89 31.435 11.090 3.481 1.00 69.00 O +ATOM 542 OE2 GLU A 89 30.755 13.069 2.794 1.00 69.80 O +ATOM 543 N ALA A 90 26.372 12.447 6.099 1.00 55.12 N +ATOM 544 CA ALA A 90 25.402 13.509 5.869 1.00 54.10 C +ATOM 545 C ALA A 90 25.009 14.195 7.173 1.00 52.81 C +ATOM 546 O ALA A 90 24.756 15.400 7.198 1.00 52.19 O +ATOM 547 CB ALA A 90 24.163 12.942 5.176 1.00 53.23 C +ATOM 548 N GLN A 91 24.956 13.417 8.251 1.00 52.36 N +ATOM 549 CA GLN A 91 24.593 13.934 9.569 1.00 51.67 C +ATOM 550 C GLN A 91 25.686 14.888 10.048 1.00 49.13 C +ATOM 551 O GLN A 91 25.408 15.966 10.575 1.00 48.93 O +ATOM 552 CB GLN A 91 24.458 12.781 10.567 1.00 55.04 C +ATOM 553 CG GLN A 91 23.574 11.636 10.094 1.00 60.92 C +ATOM 554 CD GLN A 91 22.095 11.981 10.099 1.00 63.52 C +ATOM 555 OE1 GLN A 91 21.669 12.960 9.483 1.00 65.89 O +ATOM 556 NE2 GLN A 91 21.302 11.168 10.793 1.00 63.75 N +ATOM 557 N ILE A 92 26.932 14.469 9.860 1.00 45.77 N +ATOM 558 CA ILE A 92 28.080 15.267 10.251 1.00 42.60 C +ATOM 559 C ILE A 92 28.030 16.637 9.584 1.00 41.81 C +ATOM 560 O ILE A 92 28.098 17.667 10.259 1.00 41.74 O +ATOM 561 CB ILE A 92 29.390 14.562 9.867 1.00 40.63 C +ATOM 562 CG1 ILE A 92 29.455 13.194 10.552 1.00 40.20 C +ATOM 563 CG2 ILE A 92 30.582 15.409 10.277 1.00 41.04 C +ATOM 564 CD1 ILE A 92 30.718 12.390 10.233 1.00 38.23 C +ATOM 565 N HIS A 93 27.894 16.653 8.262 1.00 40.73 N +ATOM 566 CA HIS A 93 27.842 17.914 7.531 1.00 40.75 C +ATOM 567 C HIS A 93 26.622 18.757 7.878 1.00 41.07 C +ATOM 568 O HIS A 93 26.707 19.984 7.950 1.00 41.74 O +ATOM 569 CB HIS A 93 27.896 17.651 6.023 1.00 41.92 C +ATOM 570 CG HIS A 93 29.172 17.008 5.579 1.00 41.49 C +ATOM 571 ND1 HIS A 93 30.398 17.624 5.709 1.00 41.11 N +ATOM 572 CD2 HIS A 93 29.421 15.781 5.065 1.00 42.35 C +ATOM 573 CE1 HIS A 93 31.348 16.804 5.298 1.00 41.58 C +ATOM 574 NE2 HIS A 93 30.782 15.678 4.902 1.00 43.83 N +ATOM 575 N GLU A 94 25.488 18.104 8.106 1.00 40.68 N +ATOM 576 CA GLU A 94 24.266 18.822 8.452 1.00 39.09 C +ATOM 577 C GLU A 94 24.429 19.468 9.825 1.00 38.16 C +ATOM 578 O GLU A 94 23.912 20.556 10.080 1.00 36.25 O +ATOM 579 CB GLU A 94 23.076 17.864 8.456 1.00 39.14 C +ATOM 580 N GLY A 95 25.156 18.783 10.703 1.00 38.69 N +ATOM 581 CA GLY A 95 25.390 19.299 12.041 1.00 38.78 C +ATOM 582 C GLY A 95 26.217 20.566 11.988 1.00 38.62 C +ATOM 583 O GLY A 95 25.816 21.610 12.508 1.00 38.85 O +ATOM 584 N PHE A 96 27.376 20.480 11.347 1.00 38.71 N +ATOM 585 CA PHE A 96 28.247 21.640 11.221 1.00 40.22 C +ATOM 586 C PHE A 96 27.535 22.790 10.525 1.00 41.12 C +ATOM 587 O PHE A 96 27.728 23.951 10.878 1.00 40.78 O +ATOM 588 CB PHE A 96 29.514 21.263 10.461 1.00 37.28 C +ATOM 589 CG PHE A 96 30.516 20.527 11.302 1.00 38.29 C +ATOM 590 CD1 PHE A 96 31.011 21.101 12.471 1.00 36.93 C +ATOM 591 CD2 PHE A 96 30.972 19.269 10.931 1.00 37.08 C +ATOM 592 CE1 PHE A 96 31.947 20.431 13.255 1.00 36.78 C +ATOM 593 CE2 PHE A 96 31.907 18.591 11.709 1.00 37.70 C +ATOM 594 CZ PHE A 96 32.395 19.173 12.872 1.00 36.92 C +ATOM 595 N GLN A 97 26.702 22.454 9.545 1.00 43.11 N +ATOM 596 CA GLN A 97 25.947 23.451 8.796 1.00 44.66 C +ATOM 597 C GLN A 97 25.027 24.216 9.739 1.00 44.56 C +ATOM 598 O GLN A 97 24.964 25.444 9.702 1.00 44.17 O +ATOM 599 CB GLN A 97 25.111 22.770 7.705 1.00 46.63 C +ATOM 600 CG GLN A 97 24.241 23.723 6.888 1.00 51.05 C +ATOM 601 CD GLN A 97 23.292 23.000 5.937 1.00 53.68 C +ATOM 602 OE1 GLN A 97 22.699 23.614 5.048 1.00 55.40 O +ATOM 603 NE2 GLN A 97 23.138 21.692 6.126 1.00 54.72 N +ATOM 604 N GLU A 98 24.318 23.476 10.587 1.00 44.25 N +ATOM 605 CA GLU A 98 23.390 24.073 11.539 1.00 43.53 C +ATOM 606 C GLU A 98 24.107 24.955 12.541 1.00 42.11 C +ATOM 607 O GLU A 98 23.686 26.083 12.795 1.00 41.78 O +ATOM 608 CB GLU A 98 22.620 22.977 12.274 1.00 44.42 C +ATOM 609 CG GLU A 98 21.791 22.106 11.346 1.00 47.63 C +ATOM 610 CD GLU A 98 21.292 20.832 12.002 1.00 49.14 C +ATOM 611 OE1 GLU A 98 20.582 20.069 11.318 1.00 50.96 O +ATOM 612 OE2 GLU A 98 21.605 20.591 13.190 1.00 48.08 O +ATOM 613 N LEU A 99 25.192 24.438 13.108 1.00 42.05 N +ATOM 614 CA LEU A 99 25.967 25.187 14.092 1.00 40.83 C +ATOM 615 C LEU A 99 26.609 26.433 13.481 1.00 41.68 C +ATOM 616 O LEU A 99 26.418 27.541 13.984 1.00 41.75 O +ATOM 617 CB LEU A 99 27.038 24.288 14.707 1.00 38.45 C +ATOM 618 CG LEU A 99 27.945 24.910 15.767 1.00 37.15 C +ATOM 619 CD1 LEU A 99 27.125 25.658 16.816 1.00 37.57 C +ATOM 620 CD2 LEU A 99 28.756 23.802 16.404 1.00 36.41 C +ATOM 621 N LEU A 100 27.365 26.258 12.400 1.00 41.74 N +ATOM 622 CA LEU A 100 27.997 27.399 11.745 1.00 45.02 C +ATOM 623 C LEU A 100 26.952 28.436 11.345 1.00 47.34 C +ATOM 624 O LEU A 100 27.208 29.641 11.384 1.00 47.23 O +ATOM 625 CB LEU A 100 28.773 26.955 10.506 1.00 42.71 C +ATOM 626 CG LEU A 100 30.087 26.222 10.767 1.00 44.76 C +ATOM 627 CD1 LEU A 100 30.843 26.062 9.454 1.00 44.82 C +ATOM 628 CD2 LEU A 100 30.929 27.009 11.760 1.00 44.27 C +ATOM 629 N ARG A 101 25.772 27.959 10.964 1.00 50.51 N +ATOM 630 CA ARG A 101 24.676 28.833 10.566 1.00 52.73 C +ATOM 631 C ARG A 101 24.292 29.752 11.722 1.00 52.37 C +ATOM 632 O ARG A 101 24.134 30.958 11.550 1.00 52.09 O +ATOM 633 CB ARG A 101 23.476 27.983 10.136 1.00 55.99 C +ATOM 634 CG ARG A 101 22.199 28.754 9.877 1.00 60.51 C +ATOM 635 CD ARG A 101 22.413 29.893 8.894 1.00 65.75 C +ATOM 636 NE ARG A 101 21.165 30.589 8.595 1.00 70.05 N +ATOM 637 CZ ARG A 101 20.326 31.055 9.517 1.00 73.21 C +ATOM 638 NH1 ARG A 101 20.598 30.900 10.807 1.00 74.67 N +ATOM 639 NH2 ARG A 101 19.211 31.679 9.150 1.00 74.99 N +ATOM 640 N THR A 102 24.156 29.167 12.905 1.00 53.40 N +ATOM 641 CA THR A 102 23.790 29.913 14.102 1.00 53.76 C +ATOM 642 C THR A 102 24.876 30.891 14.557 1.00 53.91 C +ATOM 643 O THR A 102 24.571 31.958 15.083 1.00 54.74 O +ATOM 644 CB THR A 102 23.481 28.957 15.270 1.00 53.97 C +ATOM 645 OG1 THR A 102 22.408 28.081 14.900 1.00 55.09 O +ATOM 646 CG2 THR A 102 23.081 29.744 16.506 1.00 53.41 C +ATOM 647 N LEU A 103 26.138 30.528 14.360 1.00 53.41 N +ATOM 648 CA LEU A 103 27.237 31.393 14.774 1.00 55.39 C +ATOM 649 C LEU A 103 27.462 32.568 13.825 1.00 58.62 C +ATOM 650 O LEU A 103 28.088 33.563 14.199 1.00 58.66 O +ATOM 651 CB LEU A 103 28.531 30.587 14.891 1.00 51.78 C +ATOM 652 CG LEU A 103 28.523 29.390 15.841 1.00 50.04 C +ATOM 653 CD1 LEU A 103 29.910 28.766 15.862 1.00 47.14 C +ATOM 654 CD2 LEU A 103 28.099 29.830 17.235 1.00 46.73 C +ATOM 655 N ASN A 104 26.960 32.454 12.599 1.00 62.37 N +ATOM 656 CA ASN A 104 27.125 33.521 11.619 1.00 66.23 C +ATOM 657 C ASN A 104 25.957 34.498 11.617 1.00 67.58 C +ATOM 658 O ASN A 104 25.977 35.489 10.891 1.00 67.60 O +ATOM 659 CB ASN A 104 27.309 32.940 10.215 1.00 67.88 C +ATOM 660 CG ASN A 104 28.563 32.097 10.093 1.00 70.91 C +ATOM 661 OD1 ASN A 104 29.630 32.479 10.575 1.00 72.50 O +ATOM 662 ND2 ASN A 104 28.446 30.948 9.433 1.00 72.77 N +ATOM 663 N GLN A 105 24.942 34.220 12.429 1.00 70.31 N +ATOM 664 CA GLN A 105 23.776 35.093 12.512 1.00 72.97 C +ATOM 665 C GLN A 105 24.201 36.514 12.857 1.00 75.21 C +ATOM 666 O GLN A 105 24.663 36.781 13.966 1.00 75.63 O +ATOM 667 CB GLN A 105 22.801 34.588 13.578 1.00 73.26 C +ATOM 668 CG GLN A 105 22.100 33.287 13.224 1.00 75.25 C +ATOM 669 CD GLN A 105 21.179 33.428 12.026 1.00 76.02 C +ATOM 670 OE1 GLN A 105 21.623 33.735 10.917 1.00 75.67 O +ATOM 671 NE2 GLN A 105 19.885 33.204 12.244 1.00 76.25 N +ATOM 672 N PRO A 106 24.056 37.448 11.904 1.00 77.14 N +ATOM 673 CA PRO A 106 24.437 38.841 12.148 1.00 78.17 C +ATOM 674 C PRO A 106 23.800 39.381 13.425 1.00 79.36 C +ATOM 675 O PRO A 106 24.365 40.250 14.090 1.00 79.95 O +ATOM 676 CB PRO A 106 23.927 39.556 10.900 1.00 77.94 C +ATOM 677 CG PRO A 106 24.101 38.512 9.837 1.00 78.09 C +ATOM 678 CD PRO A 106 23.567 37.273 10.524 1.00 77.85 C +ATOM 679 N ASP A 107 22.627 38.851 13.764 1.00 80.15 N +ATOM 680 CA ASP A 107 21.904 39.284 14.954 1.00 80.58 C +ATOM 681 C ASP A 107 21.961 38.308 16.127 1.00 80.06 C +ATOM 682 O ASP A 107 20.977 37.631 16.438 1.00 80.03 O +ATOM 683 CB ASP A 107 20.441 39.577 14.602 1.00 81.84 C +ATOM 684 CG ASP A 107 20.267 40.910 13.894 1.00 82.74 C +ATOM 685 OD1 ASP A 107 20.851 41.092 12.803 1.00 83.85 O +ATOM 686 OD2 ASP A 107 19.547 41.778 14.433 1.00 82.93 O +ATOM 687 N SER A 108 23.123 38.243 16.771 1.00 79.18 N +ATOM 688 CA SER A 108 23.324 37.383 17.934 1.00 77.99 C +ATOM 689 C SER A 108 24.050 38.228 18.971 1.00 77.00 C +ATOM 690 O SER A 108 24.940 39.001 18.622 1.00 76.74 O +ATOM 691 CB SER A 108 24.168 36.155 17.571 1.00 77.97 C +ATOM 692 OG SER A 108 25.468 36.521 17.146 1.00 78.48 O +ATOM 693 N GLN A 109 23.661 38.098 20.236 1.00 76.20 N +ATOM 694 CA GLN A 109 24.287 38.873 21.308 1.00 75.70 C +ATOM 695 C GLN A 109 25.681 38.365 21.653 1.00 74.65 C +ATOM 696 O GLN A 109 26.422 39.009 22.402 1.00 74.33 O +ATOM 697 CB GLN A 109 23.423 38.843 22.570 1.00 75.56 C +ATOM 698 CG GLN A 109 22.152 39.667 22.491 1.00 75.91 C +ATOM 699 CD GLN A 109 21.409 39.695 23.813 1.00 76.01 C +ATOM 700 OE1 GLN A 109 20.974 38.659 24.315 1.00 76.20 O +ATOM 701 NE2 GLN A 109 21.264 40.885 24.385 1.00 75.82 N +ATOM 702 N LEU A 110 26.034 37.213 21.094 1.00 73.37 N +ATOM 703 CA LEU A 110 27.329 36.598 21.349 1.00 72.88 C +ATOM 704 C LEU A 110 28.474 37.360 20.684 1.00 72.69 C +ATOM 705 O LEU A 110 29.547 37.526 21.269 1.00 73.03 O +ATOM 706 CB LEU A 110 27.314 35.151 20.855 1.00 71.68 C +ATOM 707 CG LEU A 110 28.300 34.198 21.525 1.00 70.63 C +ATOM 708 CD1 LEU A 110 28.083 34.236 23.028 1.00 69.17 C +ATOM 709 CD2 LEU A 110 28.104 32.787 20.987 1.00 70.05 C +ATOM 710 N GLN A 111 28.233 37.831 19.465 1.00 71.79 N +ATOM 711 CA GLN A 111 29.244 38.559 18.712 1.00 70.70 C +ATOM 712 C GLN A 111 30.490 37.693 18.562 1.00 68.87 C +ATOM 713 O GLN A 111 31.564 38.004 19.086 1.00 68.05 O +ATOM 714 CB GLN A 111 29.590 39.881 19.402 1.00 71.89 C +ATOM 715 CG GLN A 111 28.415 40.852 19.518 1.00 74.77 C +ATOM 716 CD GLN A 111 27.554 40.909 18.258 1.00 76.53 C +ATOM 717 OE1 GLN A 111 28.057 40.825 17.133 1.00 77.11 O +ATOM 718 NE2 GLN A 111 26.247 41.070 18.447 1.00 76.64 N +ATOM 719 N LEU A 112 30.311 36.589 17.848 1.00 65.93 N +ATOM 720 CA LEU A 112 31.378 35.642 17.580 1.00 63.42 C +ATOM 721 C LEU A 112 31.482 35.507 16.071 1.00 61.63 C +ATOM 722 O LEU A 112 30.488 35.238 15.397 1.00 61.51 O +ATOM 723 CB LEU A 112 31.045 34.279 18.194 1.00 64.39 C +ATOM 724 CG LEU A 112 31.908 33.086 17.773 1.00 64.98 C +ATOM 725 CD1 LEU A 112 33.342 33.301 18.217 1.00 66.87 C +ATOM 726 CD2 LEU A 112 31.353 31.814 18.387 1.00 66.79 C +ATOM 727 N THR A 113 32.680 35.704 15.540 1.00 58.68 N +ATOM 728 CA THR A 113 32.878 35.591 14.107 1.00 57.60 C +ATOM 729 C THR A 113 33.976 34.591 13.784 1.00 55.42 C +ATOM 730 O THR A 113 35.080 34.661 14.328 1.00 54.42 O +ATOM 731 CB THR A 113 33.228 36.959 13.490 1.00 58.48 C +ATOM 732 OG1 THR A 113 34.403 37.486 14.118 1.00 58.83 O +ATOM 733 CG2 THR A 113 32.072 37.933 13.687 1.00 59.48 C +ATOM 734 N THR A 114 33.656 33.650 12.904 1.00 53.22 N +ATOM 735 CA THR A 114 34.606 32.626 12.490 1.00 52.39 C +ATOM 736 C THR A 114 34.501 32.412 10.984 1.00 51.58 C +ATOM 737 O THR A 114 33.417 32.516 10.414 1.00 52.79 O +ATOM 738 CB THR A 114 34.334 31.288 13.212 1.00 51.10 C +ATOM 739 OG1 THR A 114 35.279 30.309 12.768 1.00 52.07 O +ATOM 740 CG2 THR A 114 32.927 30.793 12.918 1.00 49.96 C +ATOM 741 N GLY A 115 35.623 32.113 10.340 1.00 49.60 N +ATOM 742 CA GLY A 115 35.590 31.902 8.907 1.00 48.99 C +ATOM 743 C GLY A 115 36.689 31.007 8.371 1.00 48.61 C +ATOM 744 O GLY A 115 37.624 30.647 9.088 1.00 47.33 O +ATOM 745 N ASN A 116 36.566 30.644 7.099 1.00 47.89 N +ATOM 746 CA ASN A 116 37.544 29.795 6.437 1.00 49.04 C +ATOM 747 C ASN A 116 38.144 30.467 5.220 1.00 48.04 C +ATOM 748 O ASN A 116 37.495 31.269 4.549 1.00 48.45 O +ATOM 749 CB ASN A 116 36.907 28.481 5.992 1.00 52.20 C +ATOM 750 CG ASN A 116 36.750 27.504 7.123 1.00 54.26 C +ATOM 751 OD1 ASN A 116 37.727 27.147 7.787 1.00 55.58 O +ATOM 752 ND2 ASN A 116 35.520 27.055 7.352 1.00 57.47 N +ATOM 753 N GLY A 117 39.394 30.123 4.943 1.00 47.21 N +ATOM 754 CA GLY A 117 40.081 30.670 3.794 1.00 46.79 C +ATOM 755 C GLY A 117 40.624 29.539 2.941 1.00 46.53 C +ATOM 756 O GLY A 117 41.554 28.842 3.346 1.00 47.38 O +ATOM 757 N LEU A 118 40.025 29.333 1.774 1.00 46.31 N +ATOM 758 CA LEU A 118 40.476 28.295 0.856 1.00 47.37 C +ATOM 759 C LEU A 118 41.222 28.955 -0.294 1.00 47.03 C +ATOM 760 O LEU A 118 40.635 29.708 -1.076 1.00 46.21 O +ATOM 761 CB LEU A 118 39.289 27.498 0.310 1.00 48.76 C +ATOM 762 CG LEU A 118 38.727 26.399 1.208 1.00 49.98 C +ATOM 763 CD1 LEU A 118 37.538 25.740 0.528 1.00 51.15 C +ATOM 764 CD2 LEU A 118 39.811 25.369 1.485 1.00 51.43 C +ATOM 765 N PHE A 119 42.517 28.677 -0.391 1.00 46.15 N +ATOM 766 CA PHE A 119 43.330 29.262 -1.445 1.00 47.54 C +ATOM 767 C PHE A 119 43.996 28.213 -2.319 1.00 48.13 C +ATOM 768 O PHE A 119 44.818 27.422 -1.859 1.00 47.59 O +ATOM 769 CB PHE A 119 44.380 30.197 -0.840 1.00 46.81 C +ATOM 770 CG PHE A 119 43.789 31.311 -0.018 1.00 47.23 C +ATOM 771 CD1 PHE A 119 43.714 31.210 1.369 1.00 48.10 C +ATOM 772 CD2 PHE A 119 43.280 32.451 -0.634 1.00 45.99 C +ATOM 773 CE1 PHE A 119 43.139 32.234 2.133 1.00 48.04 C +ATOM 774 CE2 PHE A 119 42.705 33.476 0.116 1.00 46.96 C +ATOM 775 CZ PHE A 119 42.635 33.367 1.505 1.00 46.32 C +ATOM 776 N LEU A 120 43.619 28.223 -3.592 1.00 50.64 N +ATOM 777 CA LEU A 120 44.136 27.288 -4.581 1.00 51.84 C +ATOM 778 C LEU A 120 44.841 28.053 -5.689 1.00 52.99 C +ATOM 779 O LEU A 120 44.474 29.186 -6.005 1.00 52.47 O +ATOM 780 CB LEU A 120 42.981 26.477 -5.165 1.00 51.69 C +ATOM 781 CG LEU A 120 42.299 25.544 -4.163 1.00 52.15 C +ATOM 782 CD1 LEU A 120 40.804 25.463 -4.442 1.00 50.38 C +ATOM 783 CD2 LEU A 120 42.967 24.173 -4.239 1.00 51.48 C +ATOM 784 N SER A 121 45.855 27.432 -6.277 1.00 55.31 N +ATOM 785 CA SER A 121 46.609 28.068 -7.348 1.00 57.74 C +ATOM 786 C SER A 121 45.711 28.371 -8.547 1.00 58.65 C +ATOM 787 O SER A 121 44.919 27.527 -8.974 1.00 57.15 O +ATOM 788 CB SER A 121 47.769 27.168 -7.777 1.00 57.28 C +ATOM 789 OG SER A 121 47.290 25.917 -8.232 1.00 60.48 O +ATOM 790 N GLU A 122 45.828 29.587 -9.073 1.00 60.07 N +ATOM 791 CA GLU A 122 45.038 29.990 -10.229 1.00 62.01 C +ATOM 792 C GLU A 122 45.388 29.066 -11.388 1.00 61.95 C +ATOM 793 O GLU A 122 46.517 28.590 -11.494 1.00 62.08 O +ATOM 794 CB GLU A 122 45.352 31.437 -10.614 1.00 64.20 C +ATOM 795 CG GLU A 122 46.805 31.674 -11.000 1.00 67.30 C +ATOM 796 CD GLU A 122 47.088 33.119 -11.379 1.00 70.06 C +ATOM 797 OE1 GLU A 122 48.271 33.441 -11.640 1.00 70.53 O +ATOM 798 OE2 GLU A 122 46.132 33.928 -11.418 1.00 69.99 O +ATOM 799 N GLY A 123 44.417 28.807 -12.254 1.00 62.29 N +ATOM 800 CA GLY A 123 44.673 27.937 -13.384 1.00 63.37 C +ATOM 801 C GLY A 123 44.166 26.531 -13.150 1.00 63.90 C +ATOM 802 O GLY A 123 44.047 25.744 -14.089 1.00 65.33 O +ATOM 803 N LEU A 124 43.880 26.204 -11.895 1.00 63.69 N +ATOM 804 CA LEU A 124 43.365 24.884 -11.564 1.00 63.51 C +ATOM 805 C LEU A 124 41.875 24.807 -11.863 1.00 62.77 C +ATOM 806 O LEU A 124 41.099 25.653 -11.416 1.00 62.72 O +ATOM 807 CB LEU A 124 43.586 24.567 -10.083 1.00 64.48 C +ATOM 808 CG LEU A 124 44.920 23.970 -9.639 1.00 65.37 C +ATOM 809 CD1 LEU A 124 44.895 23.775 -8.124 1.00 66.71 C +ATOM 810 CD2 LEU A 124 45.158 22.642 -10.340 1.00 64.75 C +ATOM 811 N LYS A 125 41.480 23.799 -12.632 1.00 62.21 N +ATOM 812 CA LYS A 125 40.073 23.608 -12.952 1.00 62.25 C +ATOM 813 C LYS A 125 39.460 22.989 -11.697 1.00 60.98 C +ATOM 814 O LYS A 125 39.773 21.850 -11.339 1.00 60.81 O +ATOM 815 CB LYS A 125 39.922 22.665 -14.152 1.00 63.45 C +ATOM 816 CG LYS A 125 38.481 22.431 -14.593 1.00 66.01 C +ATOM 817 CD LYS A 125 38.391 21.594 -15.873 1.00 68.01 C +ATOM 818 CE LYS A 125 38.948 20.180 -15.698 1.00 68.56 C +ATOM 819 NZ LYS A 125 40.432 20.143 -15.531 1.00 68.26 N +ATOM 820 N LEU A 126 38.606 23.751 -11.021 1.00 59.45 N +ATOM 821 CA LEU A 126 37.975 23.284 -9.795 1.00 58.35 C +ATOM 822 C LEU A 126 36.671 22.541 -10.034 1.00 58.38 C +ATOM 823 O LEU A 126 35.932 22.838 -10.974 1.00 58.07 O +ATOM 824 CB LEU A 126 37.715 24.462 -8.855 1.00 57.24 C +ATOM 825 CG LEU A 126 38.940 25.250 -8.393 1.00 58.37 C +ATOM 826 CD1 LEU A 126 38.496 26.394 -7.494 1.00 57.08 C +ATOM 827 CD2 LEU A 126 39.904 24.326 -7.657 1.00 57.65 C +ATOM 828 N VAL A 127 36.397 21.568 -9.173 1.00 58.04 N +ATOM 829 CA VAL A 127 35.173 20.794 -9.274 1.00 57.17 C +ATOM 830 C VAL A 127 34.028 21.673 -8.784 1.00 57.70 C +ATOM 831 O VAL A 127 34.060 22.177 -7.661 1.00 58.16 O +ATOM 832 CB VAL A 127 35.251 19.513 -8.415 1.00 56.27 C +ATOM 833 CG1 VAL A 127 33.933 18.759 -8.480 1.00 56.69 C +ATOM 834 CG2 VAL A 127 36.385 18.630 -8.906 1.00 55.54 C +ATOM 835 N ASP A 128 33.025 21.865 -9.636 1.00 57.42 N +ATOM 836 CA ASP A 128 31.874 22.689 -9.293 1.00 57.44 C +ATOM 837 C ASP A 128 31.125 22.191 -8.067 1.00 56.43 C +ATOM 838 O ASP A 128 30.707 22.984 -7.225 1.00 55.68 O +ATOM 839 CB ASP A 128 30.907 22.765 -10.475 1.00 59.34 C +ATOM 840 CG ASP A 128 31.324 23.797 -11.499 1.00 62.09 C +ATOM 841 OD1 ASP A 128 31.325 25.001 -11.158 1.00 62.61 O +ATOM 842 OD2 ASP A 128 31.653 23.405 -12.640 1.00 63.28 O +ATOM 843 N LYS A 129 30.942 20.879 -7.975 1.00 55.56 N +ATOM 844 CA LYS A 129 30.233 20.299 -6.845 1.00 54.83 C +ATOM 845 C LYS A 129 30.891 20.734 -5.540 1.00 54.32 C +ATOM 846 O LYS A 129 30.214 21.118 -4.585 1.00 54.13 O +ATOM 847 CB LYS A 129 30.229 18.772 -6.949 1.00 55.01 C +ATOM 848 CG LYS A 129 29.544 18.068 -5.784 1.00 56.99 C +ATOM 849 CD LYS A 129 28.110 18.552 -5.603 1.00 57.87 C +ATOM 850 CE LYS A 129 27.434 17.862 -4.429 1.00 58.84 C +ATOM 851 NZ LYS A 129 26.079 18.425 -4.163 1.00 59.58 N +ATOM 852 N PHE A 130 32.218 20.686 -5.509 1.00 52.67 N +ATOM 853 CA PHE A 130 32.956 21.075 -4.318 1.00 51.78 C +ATOM 854 C PHE A 130 32.664 22.513 -3.883 1.00 51.57 C +ATOM 855 O PHE A 130 32.235 22.749 -2.757 1.00 51.25 O +ATOM 856 CB PHE A 130 34.456 20.898 -4.551 1.00 49.63 C +ATOM 857 CG PHE A 130 35.295 21.247 -3.356 1.00 48.55 C +ATOM 858 CD1 PHE A 130 35.108 20.589 -2.143 1.00 47.82 C +ATOM 859 CD2 PHE A 130 36.257 22.250 -3.435 1.00 47.28 C +ATOM 860 CE1 PHE A 130 35.864 20.925 -1.026 1.00 47.11 C +ATOM 861 CE2 PHE A 130 37.019 22.595 -2.325 1.00 46.17 C +ATOM 862 CZ PHE A 130 36.822 21.932 -1.118 1.00 47.18 C +ATOM 863 N LEU A 131 32.891 23.469 -4.779 1.00 52.13 N +ATOM 864 CA LEU A 131 32.666 24.881 -4.475 1.00 54.52 C +ATOM 865 C LEU A 131 31.229 25.182 -4.052 1.00 55.59 C +ATOM 866 O LEU A 131 30.975 26.125 -3.303 1.00 54.57 O +ATOM 867 CB LEU A 131 33.029 25.744 -5.689 1.00 55.47 C +ATOM 868 CG LEU A 131 34.400 25.525 -6.337 1.00 55.77 C +ATOM 869 CD1 LEU A 131 34.577 26.545 -7.449 1.00 57.75 C +ATOM 870 CD2 LEU A 131 35.516 25.659 -5.309 1.00 55.57 C +ATOM 871 N GLU A 132 30.292 24.378 -4.542 1.00 58.64 N +ATOM 872 CA GLU A 132 28.882 24.555 -4.214 1.00 61.08 C +ATOM 873 C GLU A 132 28.619 24.132 -2.774 1.00 61.49 C +ATOM 874 O GLU A 132 27.946 24.840 -2.021 1.00 61.43 O +ATOM 875 CB GLU A 132 28.016 23.732 -5.173 1.00 63.10 C +ATOM 876 CG GLU A 132 28.001 24.257 -6.602 1.00 67.29 C +ATOM 877 CD GLU A 132 27.418 23.258 -7.593 1.00 70.33 C +ATOM 878 OE1 GLU A 132 26.293 22.763 -7.359 1.00 72.08 O +ATOM 879 OE2 GLU A 132 28.087 22.971 -8.610 1.00 71.07 O +ATOM 880 N ASP A 133 29.156 22.976 -2.393 1.00 61.76 N +ATOM 881 CA ASP A 133 28.978 22.467 -1.039 1.00 62.70 C +ATOM 882 C ASP A 133 29.627 23.405 -0.024 1.00 62.55 C +ATOM 883 O ASP A 133 29.024 23.741 0.996 1.00 63.42 O +ATOM 884 CB ASP A 133 29.585 21.065 -0.900 1.00 62.49 C +ATOM 885 CG ASP A 133 28.885 20.034 -1.767 1.00 63.81 C +ATOM 886 OD1 ASP A 133 27.637 20.049 -1.824 1.00 64.24 O +ATOM 887 OD2 ASP A 133 29.584 19.196 -2.378 1.00 64.96 O +ATOM 888 N VAL A 134 30.855 23.825 -0.313 1.00 61.42 N +ATOM 889 CA VAL A 134 31.591 24.719 0.571 1.00 60.97 C +ATOM 890 C VAL A 134 30.815 26.009 0.842 1.00 61.14 C +ATOM 891 O VAL A 134 30.887 26.564 1.939 1.00 60.39 O +ATOM 892 CB VAL A 134 32.981 25.064 -0.029 1.00 60.66 C +ATOM 893 CG1 VAL A 134 33.687 26.100 0.832 1.00 61.31 C +ATOM 894 CG2 VAL A 134 33.829 23.808 -0.127 1.00 58.71 C +ATOM 895 N LYS A 135 30.067 26.475 -0.154 1.00 61.75 N +ATOM 896 CA LYS A 135 29.284 27.701 -0.022 1.00 62.49 C +ATOM 897 C LYS A 135 27.971 27.494 0.727 1.00 63.22 C +ATOM 898 O LYS A 135 27.621 28.276 1.609 1.00 63.59 O +ATOM 899 CB LYS A 135 29.000 28.283 -1.397 1.00 62.31 C +ATOM 900 N LYS A 136 27.249 26.436 0.372 1.00 63.84 N +ATOM 901 CA LYS A 136 25.962 26.138 0.994 1.00 63.84 C +ATOM 902 C LYS A 136 26.065 25.495 2.376 1.00 63.34 C +ATOM 903 O LYS A 136 25.361 25.888 3.307 1.00 63.76 O +ATOM 904 CB LYS A 136 25.138 25.243 0.067 1.00 64.84 C +ATOM 905 N LEU A 137 26.936 24.503 2.510 1.00 61.81 N +ATOM 906 CA LEU A 137 27.089 23.815 3.782 1.00 61.34 C +ATOM 907 C LEU A 137 27.972 24.530 4.796 1.00 60.67 C +ATOM 908 O LEU A 137 27.602 24.651 5.961 1.00 61.25 O +ATOM 909 CB LEU A 137 27.624 22.398 3.557 1.00 62.20 C +ATOM 910 CG LEU A 137 26.654 21.375 2.957 1.00 63.78 C +ATOM 911 CD1 LEU A 137 26.153 21.857 1.596 1.00 63.61 C +ATOM 912 CD2 LEU A 137 27.361 20.029 2.826 1.00 63.50 C +ATOM 913 N TYR A 138 29.133 25.010 4.369 1.00 59.64 N +ATOM 914 CA TYR A 138 30.029 25.671 5.306 1.00 58.87 C +ATOM 915 C TYR A 138 30.121 27.184 5.192 1.00 60.22 C +ATOM 916 O TYR A 138 30.989 27.805 5.806 1.00 59.71 O +ATOM 917 CB TYR A 138 31.417 25.033 5.218 1.00 55.56 C +ATOM 918 CG TYR A 138 31.398 23.596 5.683 1.00 54.42 C +ATOM 919 CD1 TYR A 138 30.982 22.569 4.834 1.00 52.43 C +ATOM 920 CD2 TYR A 138 31.699 23.272 7.008 1.00 53.34 C +ATOM 921 CE1 TYR A 138 30.859 21.254 5.296 1.00 51.68 C +ATOM 922 CE2 TYR A 138 31.579 21.966 7.479 1.00 52.41 C +ATOM 923 CZ TYR A 138 31.157 20.962 6.620 1.00 51.85 C +ATOM 924 OH TYR A 138 31.019 19.679 7.098 1.00 47.76 O +ATOM 925 N HIS A 139 29.212 27.778 4.426 1.00 63.01 N +ATOM 926 CA HIS A 139 29.190 29.226 4.254 1.00 66.44 C +ATOM 927 C HIS A 139 30.603 29.760 4.029 1.00 66.87 C +ATOM 928 O HIS A 139 30.937 30.861 4.471 1.00 67.40 O +ATOM 929 CB HIS A 139 28.590 29.889 5.499 1.00 69.93 C +ATOM 930 CG HIS A 139 27.268 29.320 5.914 1.00 74.62 C +ATOM 931 ND1 HIS A 139 27.103 27.996 6.263 1.00 76.18 N +ATOM 932 CD2 HIS A 139 26.049 29.896 6.042 1.00 76.18 C +ATOM 933 CE1 HIS A 139 25.840 27.781 6.586 1.00 76.92 C +ATOM 934 NE2 HIS A 139 25.179 28.918 6.461 1.00 77.35 N +ATOM 935 N SER A 140 31.433 28.972 3.353 1.00 66.52 N +ATOM 936 CA SER A 140 32.809 29.371 3.085 1.00 66.30 C +ATOM 937 C SER A 140 33.043 29.635 1.606 1.00 66.41 C +ATOM 938 O SER A 140 32.253 29.220 0.754 1.00 64.91 O +ATOM 939 CB SER A 140 33.778 28.292 3.567 1.00 65.23 C +ATOM 940 OG SER A 140 33.732 28.163 4.975 1.00 66.01 O +ATOM 941 N GLU A 141 34.137 30.327 1.310 1.00 67.39 N +ATOM 942 CA GLU A 141 34.481 30.646 -0.069 1.00 69.32 C +ATOM 943 C GLU A 141 35.900 30.229 -0.446 1.00 68.69 C +ATOM 944 O GLU A 141 36.801 30.172 0.398 1.00 68.18 O +ATOM 945 CB GLU A 141 34.319 32.146 -0.325 1.00 71.54 C +ATOM 946 CG GLU A 141 34.725 32.567 -1.732 1.00 74.18 C +ATOM 947 CD GLU A 141 34.650 34.065 -1.946 1.00 76.80 C +ATOM 948 OE1 GLU A 141 34.991 34.521 -3.060 1.00 78.43 O +ATOM 949 OE2 GLU A 141 34.253 34.786 -1.003 1.00 78.00 O +ATOM 950 N ALA A 142 36.084 29.938 -1.728 1.00 67.78 N +ATOM 951 CA ALA A 142 37.385 29.549 -2.249 1.00 66.97 C +ATOM 952 C ALA A 142 37.966 30.749 -2.989 1.00 65.86 C +ATOM 953 O ALA A 142 37.225 31.602 -3.482 1.00 65.89 O +ATOM 954 CB ALA A 142 37.243 28.360 -3.196 1.00 66.16 C +ATOM 955 N PHE A 143 39.290 30.816 -3.051 1.00 64.80 N +ATOM 956 CA PHE A 143 39.973 31.905 -3.733 1.00 64.27 C +ATOM 957 C PHE A 143 41.150 31.371 -4.526 1.00 62.71 C +ATOM 958 O PHE A 143 41.742 30.351 -4.172 1.00 61.78 O +ATOM 959 CB PHE A 143 40.471 32.940 -2.724 1.00 67.07 C +ATOM 960 CG PHE A 143 39.400 33.860 -2.221 1.00 70.55 C +ATOM 961 CD1 PHE A 143 38.866 34.844 -3.048 1.00 71.87 C +ATOM 962 CD2 PHE A 143 38.917 33.743 -0.921 1.00 72.40 C +ATOM 963 CE1 PHE A 143 37.865 35.703 -2.587 1.00 72.70 C +ATOM 964 CE2 PHE A 143 37.914 34.598 -0.451 1.00 73.17 C +ATOM 965 CZ PHE A 143 37.389 35.578 -1.285 1.00 72.84 C +ATOM 966 N THR A 144 41.478 32.059 -5.611 1.00 61.40 N +ATOM 967 CA THR A 144 42.600 31.665 -6.442 1.00 60.13 C +ATOM 968 C THR A 144 43.723 32.664 -6.224 1.00 59.34 C +ATOM 969 O THR A 144 43.480 33.867 -6.106 1.00 58.67 O +ATOM 970 CB THR A 144 42.227 31.656 -7.933 1.00 60.98 C +ATOM 971 OG1 THR A 144 41.724 32.945 -8.307 1.00 61.45 O +ATOM 972 CG2 THR A 144 41.172 30.592 -8.212 1.00 60.35 C +ATOM 973 N VAL A 145 44.946 32.154 -6.143 1.00 58.52 N +ATOM 974 CA VAL A 145 46.123 32.992 -5.952 1.00 57.77 C +ATOM 975 C VAL A 145 47.290 32.400 -6.721 1.00 57.44 C +ATOM 976 O VAL A 145 47.359 31.189 -6.943 1.00 56.67 O +ATOM 977 CB VAL A 145 46.531 33.093 -4.466 1.00 58.35 C +ATOM 978 CG1 VAL A 145 45.442 33.789 -3.672 1.00 58.46 C +ATOM 979 CG2 VAL A 145 46.810 31.709 -3.910 1.00 57.86 C +ATOM 980 N ASN A 146 48.206 33.262 -7.139 1.00 56.79 N +ATOM 981 CA ASN A 146 49.365 32.802 -7.872 1.00 56.18 C +ATOM 982 C ASN A 146 50.455 32.508 -6.862 1.00 55.64 C +ATOM 983 O ASN A 146 51.134 33.413 -6.379 1.00 54.69 O +ATOM 984 CB ASN A 146 49.845 33.868 -8.853 1.00 57.66 C +ATOM 985 CG ASN A 146 51.046 33.416 -9.658 1.00 58.34 C +ATOM 986 OD1 ASN A 146 51.685 34.217 -10.339 1.00 60.32 O +ATOM 987 ND2 ASN A 146 51.357 32.123 -9.588 1.00 58.03 N +ATOM 988 N PHE A 147 50.604 31.234 -6.527 1.00 56.42 N +ATOM 989 CA PHE A 147 51.625 30.833 -5.576 1.00 56.95 C +ATOM 990 C PHE A 147 52.989 30.955 -6.235 1.00 57.92 C +ATOM 991 O PHE A 147 54.022 30.786 -5.584 1.00 58.13 O +ATOM 992 CB PHE A 147 51.364 29.403 -5.096 1.00 54.20 C +ATOM 993 CG PHE A 147 50.246 29.301 -4.095 1.00 50.24 C +ATOM 994 CD1 PHE A 147 50.341 29.948 -2.862 1.00 50.07 C +ATOM 995 CD2 PHE A 147 49.099 28.566 -4.379 1.00 48.81 C +ATOM 996 CE1 PHE A 147 49.308 29.864 -1.925 1.00 47.93 C +ATOM 997 CE2 PHE A 147 48.060 28.475 -3.450 1.00 48.03 C +ATOM 998 CZ PHE A 147 48.165 29.125 -2.222 1.00 46.77 C +ATOM 999 N GLY A 148 52.975 31.262 -7.534 1.00 59.37 N +ATOM 1000 CA GLY A 148 54.207 31.443 -8.283 1.00 60.27 C +ATOM 1001 C GLY A 148 55.025 32.540 -7.630 1.00 60.77 C +ATOM 1002 O GLY A 148 56.255 32.479 -7.593 1.00 60.54 O +ATOM 1003 N ASP A 149 54.333 33.558 -7.125 1.00 61.79 N +ATOM 1004 CA ASP A 149 54.985 34.656 -6.428 1.00 63.77 C +ATOM 1005 C ASP A 149 54.614 34.543 -4.955 1.00 63.82 C +ATOM 1006 O ASP A 149 53.595 35.075 -4.513 1.00 63.61 O +ATOM 1007 CB ASP A 149 54.536 36.006 -6.979 1.00 65.02 C +ATOM 1008 CG ASP A 149 55.066 37.169 -6.157 1.00 68.04 C +ATOM 1009 OD1 ASP A 149 56.169 37.039 -5.575 1.00 68.26 O +ATOM 1010 OD2 ASP A 149 54.388 38.216 -6.098 1.00 70.57 O +ATOM 1011 N THR A 150 55.457 33.836 -4.210 1.00 64.33 N +ATOM 1012 CA THR A 150 55.255 33.590 -2.787 1.00 64.94 C +ATOM 1013 C THR A 150 54.870 34.810 -1.955 1.00 64.78 C +ATOM 1014 O THR A 150 54.061 34.702 -1.033 1.00 64.89 O +ATOM 1015 CB THR A 150 56.519 32.949 -2.164 1.00 65.19 C +ATOM 1016 OG1 THR A 150 56.808 31.714 -2.831 1.00 64.90 O +ATOM 1017 CG2 THR A 150 56.309 32.675 -0.683 1.00 65.60 C +ATOM 1018 N GLU A 151 55.440 35.966 -2.273 1.00 64.72 N +ATOM 1019 CA GLU A 151 55.151 37.176 -1.511 1.00 65.28 C +ATOM 1020 C GLU A 151 53.785 37.795 -1.785 1.00 64.81 C +ATOM 1021 O GLU A 151 53.104 38.234 -0.855 1.00 64.84 O +ATOM 1022 CB GLU A 151 56.257 38.207 -1.739 1.00 66.77 C +ATOM 1023 CG GLU A 151 57.613 37.768 -1.185 1.00 69.83 C +ATOM 1024 CD GLU A 151 57.604 37.574 0.330 1.00 70.97 C +ATOM 1025 OE1 GLU A 151 58.569 36.984 0.862 1.00 71.66 O +ATOM 1026 OE2 GLU A 151 56.639 38.017 0.991 1.00 71.23 O +ATOM 1027 N GLU A 152 53.378 37.837 -3.049 1.00 63.91 N +ATOM 1028 CA GLU A 152 52.077 38.405 -3.378 1.00 63.24 C +ATOM 1029 C GLU A 152 51.000 37.471 -2.855 1.00 61.75 C +ATOM 1030 O GLU A 152 49.977 37.914 -2.333 1.00 62.27 O +ATOM 1031 CB GLU A 152 51.925 38.583 -4.891 1.00 64.33 C +ATOM 1032 CG GLU A 152 50.605 39.218 -5.317 1.00 66.28 C +ATOM 1033 CD GLU A 152 50.314 40.522 -4.587 1.00 68.02 C +ATOM 1034 OE1 GLU A 152 51.206 41.395 -4.548 1.00 69.25 O +ATOM 1035 OE2 GLU A 152 49.192 40.678 -4.057 1.00 69.01 O +ATOM 1036 N ALA A 153 51.239 36.171 -2.995 1.00 60.27 N +ATOM 1037 CA ALA A 153 50.295 35.167 -2.527 1.00 58.43 C +ATOM 1038 C ALA A 153 50.082 35.351 -1.028 1.00 57.17 C +ATOM 1039 O ALA A 153 48.949 35.342 -0.546 1.00 56.32 O +ATOM 1040 CB ALA A 153 50.830 33.768 -2.819 1.00 57.68 C +ATOM 1041 N LYS A 154 51.180 35.531 -0.299 1.00 56.75 N +ATOM 1042 CA LYS A 154 51.118 35.724 1.145 1.00 56.69 C +ATOM 1043 C LYS A 154 50.322 36.982 1.478 1.00 55.76 C +ATOM 1044 O LYS A 154 49.413 36.947 2.305 1.00 54.33 O +ATOM 1045 CB LYS A 154 52.532 35.834 1.724 1.00 57.89 C +ATOM 1046 CG LYS A 154 52.574 35.939 3.243 1.00 60.47 C +ATOM 1047 CD LYS A 154 53.999 35.837 3.777 1.00 62.55 C +ATOM 1048 CE LYS A 154 54.866 36.985 3.283 1.00 63.86 C +ATOM 1049 NZ LYS A 154 56.291 36.837 3.699 1.00 65.88 N +ATOM 1050 N LYS A 155 50.667 38.090 0.827 1.00 56.07 N +ATOM 1051 CA LYS A 155 49.980 39.358 1.054 1.00 55.01 C +ATOM 1052 C LYS A 155 48.492 39.199 0.771 1.00 54.24 C +ATOM 1053 O LYS A 155 47.652 39.728 1.497 1.00 53.61 O +ATOM 1054 CB LYS A 155 50.573 40.446 0.157 1.00 55.45 C +ATOM 1055 N GLN A 156 48.173 38.459 -0.286 1.00 53.86 N +ATOM 1056 CA GLN A 156 46.785 38.235 -0.668 1.00 53.61 C +ATOM 1057 C GLN A 156 46.025 37.467 0.410 1.00 53.35 C +ATOM 1058 O GLN A 156 44.952 37.885 0.838 1.00 54.18 O +ATOM 1059 CB GLN A 156 46.726 37.482 -1.995 1.00 54.44 C +ATOM 1060 N ILE A 157 46.583 36.344 0.850 1.00 52.65 N +ATOM 1061 CA ILE A 157 45.937 35.536 1.877 1.00 51.86 C +ATOM 1062 C ILE A 157 45.712 36.337 3.158 1.00 51.82 C +ATOM 1063 O ILE A 157 44.614 36.325 3.719 1.00 50.13 O +ATOM 1064 CB ILE A 157 46.771 34.277 2.200 1.00 51.36 C +ATOM 1065 CG1 ILE A 157 46.800 33.354 0.979 1.00 50.56 C +ATOM 1066 CG2 ILE A 157 46.179 33.548 3.403 1.00 51.88 C +ATOM 1067 CD1 ILE A 157 47.652 32.118 1.157 1.00 50.58 C +ATOM 1068 N ASN A 158 46.754 37.028 3.616 1.00 52.89 N +ATOM 1069 CA ASN A 158 46.653 37.840 4.824 1.00 53.93 C +ATOM 1070 C ASN A 158 45.634 38.955 4.610 1.00 55.24 C +ATOM 1071 O ASN A 158 44.905 39.328 5.529 1.00 54.44 O +ATOM 1072 CB ASN A 158 48.017 38.435 5.195 1.00 52.75 C +ATOM 1073 CG ASN A 158 49.035 37.371 5.575 1.00 53.06 C +ATOM 1074 OD1 ASN A 158 48.703 36.395 6.250 1.00 53.69 O +ATOM 1075 ND2 ASN A 158 50.282 37.562 5.154 1.00 49.24 N +ATOM 1076 N ASP A 159 45.582 39.482 3.390 1.00 57.13 N +ATOM 1077 CA ASP A 159 44.630 40.536 3.065 1.00 59.97 C +ATOM 1078 C ASP A 159 43.213 40.030 3.295 1.00 60.89 C +ATOM 1079 O ASP A 159 42.354 40.763 3.788 1.00 60.38 O +ATOM 1080 CB ASP A 159 44.792 40.972 1.604 1.00 61.76 C +ATOM 1081 CG ASP A 159 45.929 41.961 1.410 1.00 63.57 C +ATOM 1082 OD1 ASP A 159 46.327 42.191 0.247 1.00 65.08 O +ATOM 1083 OD2 ASP A 159 46.418 42.515 2.417 1.00 64.84 O +ATOM 1084 N TYR A 160 42.976 38.769 2.939 1.00 62.76 N +ATOM 1085 CA TYR A 160 41.659 38.160 3.108 1.00 64.85 C +ATOM 1086 C TYR A 160 41.269 38.039 4.578 1.00 65.04 C +ATOM 1087 O TYR A 160 40.163 38.419 4.966 1.00 65.22 O +ATOM 1088 CB TYR A 160 41.612 36.773 2.443 1.00 65.98 C +ATOM 1089 CG TYR A 160 40.453 35.918 2.914 1.00 67.06 C +ATOM 1090 CD1 TYR A 160 40.561 35.144 4.068 1.00 67.68 C +ATOM 1091 CD2 TYR A 160 39.228 35.936 2.250 1.00 68.54 C +ATOM 1092 CE1 TYR A 160 39.478 34.413 4.555 1.00 69.26 C +ATOM 1093 CE2 TYR A 160 38.133 35.206 2.730 1.00 68.98 C +ATOM 1094 CZ TYR A 160 38.268 34.449 3.884 1.00 69.26 C +ATOM 1095 OH TYR A 160 37.198 33.736 4.380 1.00 69.91 O +ATOM 1096 N VAL A 161 42.172 37.494 5.388 1.00 65.66 N +ATOM 1097 CA VAL A 161 41.908 37.332 6.813 1.00 65.95 C +ATOM 1098 C VAL A 161 41.796 38.720 7.427 1.00 66.51 C +ATOM 1099 O VAL A 161 41.035 38.937 8.369 1.00 65.68 O +ATOM 1100 CB VAL A 161 43.044 36.558 7.512 1.00 65.55 C +ATOM 1101 CG1 VAL A 161 42.647 36.229 8.941 1.00 64.35 C +ATOM 1102 CG2 VAL A 161 43.359 35.288 6.736 1.00 65.02 C +ATOM 1103 N GLU A 162 42.563 39.653 6.869 1.00 68.15 N +ATOM 1104 CA GLU A 162 42.577 41.043 7.313 1.00 70.00 C +ATOM 1105 C GLU A 162 41.180 41.647 7.145 1.00 69.41 C +ATOM 1106 O GLU A 162 40.646 42.275 8.059 1.00 68.70 O +ATOM 1107 CB GLU A 162 43.590 41.835 6.479 1.00 72.66 C +ATOM 1108 CG GLU A 162 43.700 43.315 6.825 1.00 77.21 C +ATOM 1109 CD GLU A 162 44.546 43.579 8.056 1.00 79.17 C +ATOM 1110 OE1 GLU A 162 45.750 43.241 8.038 1.00 79.86 O +ATOM 1111 OE2 GLU A 162 44.008 44.131 9.039 1.00 80.74 O +ATOM 1112 N LYS A 163 40.594 41.454 5.968 1.00 69.58 N +ATOM 1113 CA LYS A 163 39.262 41.975 5.687 1.00 70.28 C +ATOM 1114 C LYS A 163 38.210 41.144 6.415 1.00 70.49 C +ATOM 1115 O LYS A 163 37.221 41.677 6.915 1.00 70.20 O +ATOM 1116 CB LYS A 163 38.997 41.958 4.183 1.00 69.91 C +ATOM 1117 N GLY A 164 38.438 39.836 6.479 1.00 70.76 N +ATOM 1118 CA GLY A 164 37.502 38.951 7.146 1.00 71.51 C +ATOM 1119 C GLY A 164 37.321 39.232 8.627 1.00 72.23 C +ATOM 1120 O GLY A 164 36.194 39.298 9.116 1.00 72.73 O +ATOM 1121 N THR A 165 38.426 39.393 9.349 1.00 72.75 N +ATOM 1122 CA THR A 165 38.362 39.661 10.784 1.00 72.95 C +ATOM 1123 C THR A 165 38.271 41.155 11.086 1.00 72.75 C +ATOM 1124 O THR A 165 38.462 41.579 12.227 1.00 72.49 O +ATOM 1125 CB THR A 165 39.597 39.082 11.520 1.00 73.34 C +ATOM 1126 OG1 THR A 165 40.796 39.588 10.922 1.00 73.24 O +ATOM 1127 CG2 THR A 165 39.600 37.561 11.446 1.00 73.24 C +ATOM 1128 N GLN A 166 37.984 41.948 10.057 1.00 72.33 N +ATOM 1129 CA GLN A 166 37.865 43.395 10.205 1.00 72.09 C +ATOM 1130 C GLN A 166 39.092 44.012 10.881 1.00 72.00 C +ATOM 1131 O GLN A 166 38.970 44.952 11.670 1.00 72.58 O +ATOM 1132 CB GLN A 166 36.600 43.736 10.998 1.00 71.40 C +ATOM 1133 N GLY A 167 40.271 43.479 10.571 1.00 71.29 N +ATOM 1134 CA GLY A 167 41.498 44.001 11.149 1.00 70.25 C +ATOM 1135 C GLY A 167 41.991 43.306 12.408 1.00 69.63 C +ATOM 1136 O GLY A 167 43.097 43.582 12.876 1.00 68.49 O +ATOM 1137 N LYS A 168 41.184 42.401 12.955 1.00 69.21 N +ATOM 1138 CA LYS A 168 41.555 41.686 14.173 1.00 68.82 C +ATOM 1139 C LYS A 168 42.767 40.771 13.997 1.00 69.04 C +ATOM 1140 O LYS A 168 43.524 40.553 14.943 1.00 69.38 O +ATOM 1141 CB LYS A 168 40.365 40.882 14.687 1.00 67.77 C +ATOM 1142 N ILE A 169 42.955 40.243 12.790 1.00 68.96 N +ATOM 1143 CA ILE A 169 44.078 39.347 12.511 1.00 68.64 C +ATOM 1144 C ILE A 169 44.895 39.829 11.314 1.00 68.65 C +ATOM 1145 O ILE A 169 44.428 39.779 10.175 1.00 68.68 O +ATOM 1146 CB ILE A 169 43.578 37.913 12.226 1.00 68.53 C +ATOM 1147 CG1 ILE A 169 42.795 37.391 13.433 1.00 68.38 C +ATOM 1148 CG2 ILE A 169 44.758 36.999 11.910 1.00 68.32 C +ATOM 1149 CD1 ILE A 169 42.161 36.030 13.216 1.00 67.84 C +ATOM 1150 N VAL A 170 46.118 40.282 11.575 1.00 68.58 N +ATOM 1151 CA VAL A 170 46.989 40.786 10.518 1.00 68.81 C +ATOM 1152 C VAL A 170 48.224 39.917 10.287 1.00 68.78 C +ATOM 1153 O VAL A 170 48.855 39.452 11.235 1.00 68.59 O +ATOM 1154 CB VAL A 170 47.454 42.229 10.827 1.00 69.07 C +ATOM 1155 CG1 VAL A 170 46.251 43.107 11.122 1.00 69.39 C +ATOM 1156 CG2 VAL A 170 48.413 42.234 12.008 1.00 70.28 C +ATOM 1157 N ASP A 171 48.560 39.705 9.018 1.00 69.09 N +ATOM 1158 CA ASP A 171 49.721 38.904 8.637 1.00 69.46 C +ATOM 1159 C ASP A 171 49.680 37.501 9.229 1.00 68.50 C +ATOM 1160 O ASP A 171 50.684 37.005 9.737 1.00 68.03 O +ATOM 1161 CB ASP A 171 51.010 39.604 9.076 1.00 70.70 C +ATOM 1162 CG ASP A 171 51.132 41.004 8.506 1.00 72.78 C +ATOM 1163 OD1 ASP A 171 51.101 41.144 7.264 1.00 73.54 O +ATOM 1164 OD2 ASP A 171 51.258 41.963 9.297 1.00 73.72 O +ATOM 1165 N LEU A 172 48.516 36.864 9.151 1.00 66.97 N +ATOM 1166 CA LEU A 172 48.341 35.520 9.682 1.00 65.83 C +ATOM 1167 C LEU A 172 49.412 34.549 9.192 1.00 65.94 C +ATOM 1168 O LEU A 172 49.976 33.785 9.976 1.00 66.03 O +ATOM 1169 CB LEU A 172 46.959 34.987 9.306 1.00 65.89 C +ATOM 1170 CG LEU A 172 46.690 33.539 9.715 1.00 66.20 C +ATOM 1171 CD1 LEU A 172 46.882 33.397 11.214 1.00 65.60 C +ATOM 1172 CD2 LEU A 172 45.281 33.135 9.306 1.00 66.59 C +ATOM 1173 N VAL A 173 49.688 34.574 7.893 1.00 65.67 N +ATOM 1174 CA VAL A 173 50.690 33.685 7.319 1.00 65.34 C +ATOM 1175 C VAL A 173 52.030 34.400 7.182 1.00 66.13 C +ATOM 1176 O VAL A 173 52.087 35.557 6.765 1.00 66.68 O +ATOM 1177 CB VAL A 173 50.242 33.168 5.936 1.00 63.51 C +ATOM 1178 CG1 VAL A 173 51.290 32.235 5.364 1.00 63.40 C +ATOM 1179 CG2 VAL A 173 48.912 32.450 6.063 1.00 61.87 C +ATOM 1180 N LYS A 174 53.108 33.706 7.532 1.00 66.34 N +ATOM 1181 CA LYS A 174 54.437 34.295 7.454 1.00 66.89 C +ATOM 1182 C LYS A 174 55.350 33.580 6.464 1.00 67.49 C +ATOM 1183 O LYS A 174 56.394 34.112 6.089 1.00 67.89 O +ATOM 1184 CB LYS A 174 55.078 34.311 8.841 1.00 66.70 C +ATOM 1185 N GLU A 175 54.963 32.383 6.034 1.00 68.10 N +ATOM 1186 CA GLU A 175 55.783 31.631 5.088 1.00 68.88 C +ATOM 1187 C GLU A 175 54.980 30.709 4.173 1.00 69.60 C +ATOM 1188 O GLU A 175 54.127 29.951 4.635 1.00 70.15 O +ATOM 1189 CB GLU A 175 56.834 30.820 5.848 1.00 68.63 C +ATOM 1190 N LEU A 176 55.259 30.785 2.872 1.00 70.19 N +ATOM 1191 CA LEU A 176 54.591 29.946 1.874 1.00 70.15 C +ATOM 1192 C LEU A 176 55.629 29.161 1.082 1.00 70.41 C +ATOM 1193 O LEU A 176 56.490 29.742 0.420 1.00 70.89 O +ATOM 1194 CB LEU A 176 53.768 30.787 0.890 1.00 69.26 C +ATOM 1195 CG LEU A 176 52.483 31.477 1.347 1.00 69.06 C +ATOM 1196 CD1 LEU A 176 51.503 30.440 1.877 1.00 67.60 C +ATOM 1197 CD2 LEU A 176 52.813 32.512 2.408 1.00 69.00 C +ATOM 1198 N ASP A 177 55.548 27.839 1.152 1.00 70.57 N +ATOM 1199 CA ASP A 177 56.479 26.996 0.421 1.00 70.94 C +ATOM 1200 C ASP A 177 56.362 27.265 -1.083 1.00 70.11 C +ATOM 1201 O ASP A 177 55.290 27.618 -1.584 1.00 70.31 O +ATOM 1202 CB ASP A 177 56.202 25.523 0.729 1.00 72.71 C +ATOM 1203 CG ASP A 177 56.919 24.588 -0.217 1.00 74.82 C +ATOM 1204 OD1 ASP A 177 58.120 24.813 -0.486 1.00 76.14 O +ATOM 1205 OD2 ASP A 177 56.281 23.622 -0.687 1.00 76.39 O +ATOM 1206 N ARG A 178 57.473 27.097 -1.794 1.00 67.54 N +ATOM 1207 CA ARG A 178 57.520 27.337 -3.230 1.00 65.44 C +ATOM 1208 C ARG A 178 56.487 26.556 -4.042 1.00 64.34 C +ATOM 1209 O ARG A 178 55.826 27.124 -4.911 1.00 64.88 O +ATOM 1210 CB ARG A 178 58.923 27.044 -3.755 1.00 65.41 C +ATOM 1211 N ASP A 179 56.342 25.262 -3.766 1.00 62.24 N +ATOM 1212 CA ASP A 179 55.393 24.441 -4.512 1.00 60.64 C +ATOM 1213 C ASP A 179 53.982 24.386 -3.938 1.00 57.71 C +ATOM 1214 O ASP A 179 53.223 23.464 -4.242 1.00 56.32 O +ATOM 1215 CB ASP A 179 55.930 23.014 -4.675 1.00 64.31 C +ATOM 1216 CG ASP A 179 56.430 22.420 -3.372 1.00 67.44 C +ATOM 1217 OD1 ASP A 179 57.449 22.917 -2.843 1.00 69.88 O +ATOM 1218 OD2 ASP A 179 55.805 21.456 -2.879 1.00 68.69 O +ATOM 1219 N THR A 180 53.628 25.370 -3.119 1.00 54.90 N +ATOM 1220 CA THR A 180 52.292 25.415 -2.540 1.00 52.74 C +ATOM 1221 C THR A 180 51.272 25.567 -3.658 1.00 51.12 C +ATOM 1222 O THR A 180 51.450 26.374 -4.567 1.00 50.15 O +ATOM 1223 CB THR A 180 52.122 26.606 -1.581 1.00 52.51 C +ATOM 1224 OG1 THR A 180 52.960 26.424 -0.437 1.00 53.47 O +ATOM 1225 CG2 THR A 180 50.671 26.722 -1.129 1.00 53.35 C +ATOM 1226 N VAL A 181 50.203 24.788 -3.585 1.00 49.88 N +ATOM 1227 CA VAL A 181 49.150 24.845 -4.589 1.00 49.01 C +ATOM 1228 C VAL A 181 47.805 25.010 -3.890 1.00 47.65 C +ATOM 1229 O VAL A 181 46.838 25.501 -4.474 1.00 48.01 O +ATOM 1230 CB VAL A 181 49.117 23.546 -5.430 1.00 50.72 C +ATOM 1231 CG1 VAL A 181 50.465 23.323 -6.109 1.00 49.81 C +ATOM 1232 CG2 VAL A 181 48.792 22.359 -4.537 1.00 52.35 C +ATOM 1233 N PHE A 182 47.766 24.613 -2.623 1.00 45.96 N +ATOM 1234 CA PHE A 182 46.545 24.661 -1.827 1.00 44.14 C +ATOM 1235 C PHE A 182 46.876 24.959 -0.360 1.00 43.84 C +ATOM 1236 O PHE A 182 47.698 24.270 0.255 1.00 41.24 O +ATOM 1237 CB PHE A 182 45.833 23.308 -1.970 1.00 43.15 C +ATOM 1238 CG PHE A 182 44.531 23.203 -1.236 1.00 43.59 C +ATOM 1239 CD1 PHE A 182 43.710 24.313 -1.060 1.00 45.53 C +ATOM 1240 CD2 PHE A 182 44.086 21.961 -0.788 1.00 43.78 C +ATOM 1241 CE1 PHE A 182 42.459 24.187 -0.454 1.00 45.98 C +ATOM 1242 CE2 PHE A 182 42.841 21.820 -0.183 1.00 43.12 C +ATOM 1243 CZ PHE A 182 42.022 22.935 -0.016 1.00 45.27 C +ATOM 1244 N ALA A 183 46.247 25.999 0.185 1.00 42.34 N +ATOM 1245 CA ALA A 183 46.460 26.386 1.574 1.00 41.88 C +ATOM 1246 C ALA A 183 45.119 26.710 2.210 1.00 42.91 C +ATOM 1247 O ALA A 183 44.252 27.307 1.571 1.00 42.81 O +ATOM 1248 CB ALA A 183 47.380 27.594 1.653 1.00 40.55 C +ATOM 1249 N LEU A 184 44.957 26.320 3.472 1.00 43.23 N +ATOM 1250 CA LEU A 184 43.716 26.556 4.201 1.00 44.05 C +ATOM 1251 C LEU A 184 43.931 27.413 5.451 1.00 43.65 C +ATOM 1252 O LEU A 184 44.787 27.119 6.289 1.00 43.52 O +ATOM 1253 CB LEU A 184 43.077 25.213 4.587 1.00 44.86 C +ATOM 1254 CG LEU A 184 41.734 25.218 5.332 1.00 45.80 C +ATOM 1255 CD1 LEU A 184 41.140 23.819 5.307 1.00 47.34 C +ATOM 1256 CD2 LEU A 184 41.923 25.682 6.772 1.00 47.95 C +ATOM 1257 N VAL A 185 43.133 28.469 5.566 1.00 42.75 N +ATOM 1258 CA VAL A 185 43.199 29.383 6.696 1.00 43.06 C +ATOM 1259 C VAL A 185 41.897 29.325 7.497 1.00 43.55 C +ATOM 1260 O VAL A 185 40.806 29.437 6.938 1.00 44.17 O +ATOM 1261 CB VAL A 185 43.446 30.837 6.209 1.00 44.21 C +ATOM 1262 CG1 VAL A 185 42.888 31.836 7.208 1.00 44.15 C +ATOM 1263 CG2 VAL A 185 44.943 31.069 6.026 1.00 42.16 C +ATOM 1264 N ASN A 186 42.018 29.144 8.808 1.00 41.79 N +ATOM 1265 CA ASN A 186 40.850 29.078 9.676 1.00 40.66 C +ATOM 1266 C ASN A 186 41.049 30.001 10.877 1.00 39.36 C +ATOM 1267 O ASN A 186 42.090 29.970 11.531 1.00 40.15 O +ATOM 1268 CB ASN A 186 40.623 27.630 10.121 1.00 41.76 C +ATOM 1269 CG ASN A 186 39.497 27.497 11.114 1.00 41.96 C +ATOM 1270 OD1 ASN A 186 39.729 27.427 12.318 1.00 44.49 O +ATOM 1271 ND2 ASN A 186 38.267 27.474 10.618 1.00 42.55 N +ATOM 1272 N TYR A 187 40.050 30.828 11.159 1.00 38.92 N +ATOM 1273 CA TYR A 187 40.144 31.777 12.259 1.00 39.55 C +ATOM 1274 C TYR A 187 38.842 31.954 13.018 1.00 38.75 C +ATOM 1275 O TYR A 187 37.775 31.573 12.544 1.00 39.06 O +ATOM 1276 CB TYR A 187 40.596 33.133 11.720 1.00 42.75 C +ATOM 1277 CG TYR A 187 39.629 33.739 10.728 1.00 45.49 C +ATOM 1278 CD1 TYR A 187 38.475 34.395 11.161 1.00 46.41 C +ATOM 1279 CD2 TYR A 187 39.854 33.636 9.356 1.00 46.40 C +ATOM 1280 CE1 TYR A 187 37.567 34.935 10.252 1.00 48.78 C +ATOM 1281 CE2 TYR A 187 38.950 34.171 8.437 1.00 49.47 C +ATOM 1282 CZ TYR A 187 37.810 34.820 8.893 1.00 49.57 C +ATOM 1283 OH TYR A 187 36.914 35.358 7.990 1.00 52.89 O +ATOM 1284 N ILE A 188 38.941 32.543 14.205 1.00 37.29 N +ATOM 1285 CA ILE A 188 37.771 32.792 15.035 1.00 34.05 C +ATOM 1286 C ILE A 188 38.095 33.863 16.074 1.00 32.81 C +ATOM 1287 O ILE A 188 39.180 33.884 16.635 1.00 31.93 O +ATOM 1288 CB ILE A 188 37.303 31.497 15.739 1.00 33.35 C +ATOM 1289 CG1 ILE A 188 36.042 31.779 16.557 1.00 33.54 C +ATOM 1290 CG2 ILE A 188 38.413 30.944 16.625 1.00 32.77 C +ATOM 1291 CD1 ILE A 188 35.370 30.532 17.101 1.00 35.22 C +ATOM 1292 N PHE A 189 37.147 34.758 16.308 1.00 35.01 N +ATOM 1293 CA PHE A 189 37.320 35.843 17.262 1.00 38.81 C +ATOM 1294 C PHE A 189 36.093 35.932 18.154 1.00 38.33 C +ATOM 1295 O PHE A 189 34.969 35.912 17.666 1.00 38.82 O +ATOM 1296 CB PHE A 189 37.496 37.178 16.531 1.00 42.21 C +ATOM 1297 CG PHE A 189 37.388 38.374 17.434 1.00 47.91 C +ATOM 1298 CD1 PHE A 189 38.478 38.795 18.193 1.00 51.32 C +ATOM 1299 CD2 PHE A 189 36.179 39.055 17.563 1.00 51.22 C +ATOM 1300 CE1 PHE A 189 38.367 39.879 19.071 1.00 53.25 C +ATOM 1301 CE2 PHE A 189 36.054 40.141 18.439 1.00 52.04 C +ATOM 1302 CZ PHE A 189 37.151 40.552 19.194 1.00 53.20 C +ATOM 1303 N PHE A 190 36.309 36.049 19.459 1.00 38.24 N +ATOM 1304 CA PHE A 190 35.194 36.133 20.385 1.00 38.29 C +ATOM 1305 C PHE A 190 35.454 37.026 21.587 1.00 39.32 C +ATOM 1306 O PHE A 190 36.542 37.026 22.172 1.00 38.79 O +ATOM 1307 CB PHE A 190 34.806 34.733 20.872 1.00 39.55 C +ATOM 1308 CG PHE A 190 33.756 34.736 21.946 1.00 41.05 C +ATOM 1309 CD1 PHE A 190 32.487 35.248 21.697 1.00 42.97 C +ATOM 1310 CD2 PHE A 190 34.046 34.263 23.219 1.00 39.87 C +ATOM 1311 CE1 PHE A 190 31.524 35.289 22.709 1.00 44.33 C +ATOM 1312 CE2 PHE A 190 33.093 34.299 24.234 1.00 40.01 C +ATOM 1313 CZ PHE A 190 31.833 34.811 23.983 1.00 41.23 C +ATOM 1314 N LYS A 191 34.425 37.789 21.939 1.00 40.08 N +ATOM 1315 CA LYS A 191 34.440 38.689 23.078 1.00 40.03 C +ATOM 1316 C LYS A 191 32.992 38.795 23.515 1.00 40.51 C +ATOM 1317 O LYS A 191 32.210 39.526 22.912 1.00 42.35 O +ATOM 1318 CB LYS A 191 34.956 40.066 22.684 1.00 42.52 C +ATOM 1319 CG LYS A 191 34.841 41.087 23.803 1.00 45.79 C +ATOM 1320 CD LYS A 191 35.437 42.424 23.397 1.00 49.52 C +ATOM 1321 CE LYS A 191 35.364 43.422 24.541 1.00 52.86 C +ATOM 1322 NZ LYS A 191 36.057 44.699 24.209 1.00 56.14 N +ATOM 1323 N GLY A 192 32.631 38.056 24.556 1.00 39.48 N +ATOM 1324 CA GLY A 192 31.261 38.083 25.019 1.00 36.33 C +ATOM 1325 C GLY A 192 31.017 39.059 26.142 1.00 37.03 C +ATOM 1326 O GLY A 192 31.947 39.633 26.708 1.00 35.56 O +ATOM 1327 N LYS A 193 29.743 39.259 26.449 1.00 36.96 N +ATOM 1328 CA LYS A 193 29.337 40.142 27.524 1.00 37.32 C +ATOM 1329 C LYS A 193 28.645 39.227 28.527 1.00 37.91 C +ATOM 1330 O LYS A 193 27.850 38.363 28.132 1.00 38.00 O +ATOM 1331 CB LYS A 193 28.371 41.196 27.002 1.00 37.06 C +ATOM 1332 N TRP A 194 28.959 39.401 29.811 1.00 36.15 N +ATOM 1333 CA TRP A 194 28.373 38.581 30.871 1.00 36.49 C +ATOM 1334 C TRP A 194 26.917 38.965 31.168 1.00 38.18 C +ATOM 1335 O TRP A 194 26.511 40.111 30.940 1.00 37.35 O +ATOM 1336 CB TRP A 194 29.184 38.726 32.170 1.00 32.94 C +ATOM 1337 CG TRP A 194 30.660 38.485 32.031 1.00 32.16 C +ATOM 1338 CD1 TRP A 194 31.653 39.414 32.135 1.00 32.42 C +ATOM 1339 CD2 TRP A 194 31.309 37.230 31.779 1.00 31.27 C +ATOM 1340 NE1 TRP A 194 32.882 38.818 31.966 1.00 32.65 N +ATOM 1341 CE2 TRP A 194 32.700 37.479 31.747 1.00 31.52 C +ATOM 1342 CE3 TRP A 194 30.849 35.920 31.579 1.00 30.23 C +ATOM 1343 CZ2 TRP A 194 33.642 36.462 31.525 1.00 31.18 C +ATOM 1344 CZ3 TRP A 194 31.787 34.906 31.357 1.00 31.19 C +ATOM 1345 CH2 TRP A 194 33.168 35.187 31.332 1.00 29.48 C +ATOM 1346 N GLU A 195 26.136 38.011 31.675 1.00 37.64 N +ATOM 1347 CA GLU A 195 24.755 38.298 32.043 1.00 40.05 C +ATOM 1348 C GLU A 195 24.836 39.173 33.286 1.00 40.29 C +ATOM 1349 O GLU A 195 24.052 40.107 33.465 1.00 39.21 O +ATOM 1350 CB GLU A 195 23.986 37.022 32.394 1.00 41.62 C +ATOM 1351 CG GLU A 195 23.822 36.044 31.258 1.00 45.10 C +ATOM 1352 CD GLU A 195 22.528 35.259 31.364 1.00 47.85 C +ATOM 1353 OE1 GLU A 195 22.167 34.849 32.490 1.00 47.92 O +ATOM 1354 OE2 GLU A 195 21.875 35.046 30.316 1.00 50.76 O +ATOM 1355 N ARG A 196 25.794 38.835 34.146 1.00 40.55 N +ATOM 1356 CA ARG A 196 26.052 39.558 35.383 1.00 41.36 C +ATOM 1357 C ARG A 196 27.497 40.030 35.293 1.00 41.30 C +ATOM 1358 O ARG A 196 28.426 39.255 35.524 1.00 41.95 O +ATOM 1359 CB ARG A 196 25.877 38.630 36.584 1.00 43.64 C +ATOM 1360 CG ARG A 196 24.440 38.264 36.883 1.00 48.77 C +ATOM 1361 CD ARG A 196 24.349 37.278 38.043 1.00 53.51 C +ATOM 1362 NE ARG A 196 23.007 37.225 38.622 1.00 57.03 N +ATOM 1363 CZ ARG A 196 22.426 38.240 39.258 1.00 58.33 C +ATOM 1364 NH1 ARG A 196 23.066 39.399 39.403 1.00 57.89 N +ATOM 1365 NH2 ARG A 196 21.206 38.099 39.755 1.00 58.65 N +ATOM 1366 N PRO A 197 27.704 41.318 34.970 1.00 40.71 N +ATOM 1367 CA PRO A 197 29.036 41.915 34.832 1.00 40.40 C +ATOM 1368 C PRO A 197 29.793 42.247 36.120 1.00 40.02 C +ATOM 1369 O PRO A 197 29.261 42.125 37.225 1.00 40.33 O +ATOM 1370 CB PRO A 197 28.748 43.164 34.014 1.00 39.56 C +ATOM 1371 CG PRO A 197 27.460 43.621 34.614 1.00 40.20 C +ATOM 1372 CD PRO A 197 26.657 42.330 34.731 1.00 39.86 C +ATOM 1373 N PHE A 198 31.045 42.662 35.940 1.00 38.73 N +ATOM 1374 CA PHE A 198 31.933 43.073 37.022 1.00 40.12 C +ATOM 1375 C PHE A 198 32.012 44.599 36.937 1.00 40.57 C +ATOM 1376 O PHE A 198 31.947 45.159 35.844 1.00 40.29 O +ATOM 1377 CB PHE A 198 33.353 42.530 36.807 1.00 38.69 C +ATOM 1378 CG PHE A 198 33.474 41.041 36.925 1.00 40.13 C +ATOM 1379 CD1 PHE A 198 33.739 40.448 38.150 1.00 41.09 C +ATOM 1380 CD2 PHE A 198 33.344 40.229 35.805 1.00 41.71 C +ATOM 1381 CE1 PHE A 198 33.876 39.062 38.260 1.00 42.94 C +ATOM 1382 CE2 PHE A 198 33.477 38.841 35.903 1.00 42.54 C +ATOM 1383 CZ PHE A 198 33.744 38.258 37.132 1.00 43.22 C +ATOM 1384 N GLU A 199 32.162 45.271 38.074 1.00 40.24 N +ATOM 1385 CA GLU A 199 32.289 46.723 38.062 1.00 41.59 C +ATOM 1386 C GLU A 199 33.746 47.068 37.752 1.00 40.07 C +ATOM 1387 O GLU A 199 34.650 46.705 38.505 1.00 38.08 O +ATOM 1388 CB GLU A 199 31.901 47.315 39.417 1.00 44.76 C +ATOM 1389 CG GLU A 199 30.474 47.018 39.841 1.00 51.82 C +ATOM 1390 CD GLU A 199 29.723 48.272 40.263 1.00 56.56 C +ATOM 1391 OE1 GLU A 199 28.635 48.143 40.874 1.00 57.03 O +ATOM 1392 OE2 GLU A 199 30.221 49.387 39.974 1.00 58.78 O +ATOM 1393 N VAL A 200 33.966 47.761 36.638 1.00 40.24 N +ATOM 1394 CA VAL A 200 35.310 48.149 36.221 1.00 40.66 C +ATOM 1395 C VAL A 200 36.066 48.826 37.358 1.00 41.67 C +ATOM 1396 O VAL A 200 37.286 48.697 37.477 1.00 40.70 O +ATOM 1397 CB VAL A 200 35.263 49.122 35.027 1.00 42.00 C +ATOM 1398 CG1 VAL A 200 36.676 49.453 34.565 1.00 42.90 C +ATOM 1399 CG2 VAL A 200 34.474 48.510 33.891 1.00 42.85 C +ATOM 1400 N LYS A 201 35.328 49.549 38.191 1.00 41.66 N +ATOM 1401 CA LYS A 201 35.914 50.257 39.315 1.00 43.22 C +ATOM 1402 C LYS A 201 36.562 49.303 40.317 1.00 43.85 C +ATOM 1403 O LYS A 201 37.492 49.682 41.027 1.00 43.99 O +ATOM 1404 CB LYS A 201 34.844 51.098 40.006 1.00 43.62 C +ATOM 1405 N ASP A 202 36.077 48.064 40.368 1.00 44.17 N +ATOM 1406 CA ASP A 202 36.613 47.081 41.308 1.00 43.35 C +ATOM 1407 C ASP A 202 37.801 46.286 40.783 1.00 41.41 C +ATOM 1408 O ASP A 202 38.389 45.504 41.518 1.00 42.15 O +ATOM 1409 CB ASP A 202 35.520 46.102 41.753 1.00 43.86 C +ATOM 1410 CG ASP A 202 34.453 46.764 42.605 1.00 45.06 C +ATOM 1411 OD1 ASP A 202 34.809 47.698 43.361 1.00 46.23 O +ATOM 1412 OD2 ASP A 202 33.270 46.341 42.530 1.00 41.06 O +ATOM 1413 N THR A 203 38.150 46.477 39.516 1.00 39.84 N +ATOM 1414 CA THR A 203 39.272 45.760 38.934 1.00 38.38 C +ATOM 1415 C THR A 203 40.587 46.353 39.416 1.00 40.41 C +ATOM 1416 O THR A 203 40.803 47.560 39.313 1.00 40.64 O +ATOM 1417 CB THR A 203 39.210 45.807 37.404 1.00 36.32 C +ATOM 1418 OG1 THR A 203 38.057 45.084 36.967 1.00 35.38 O +ATOM 1419 CG2 THR A 203 40.453 45.176 36.791 1.00 36.35 C +ATOM 1420 N GLU A 204 41.460 45.495 39.941 1.00 41.09 N +ATOM 1421 CA GLU A 204 42.761 45.916 40.463 1.00 42.19 C +ATOM 1422 C GLU A 204 43.874 44.995 39.983 1.00 41.31 C +ATOM 1423 O GLU A 204 43.614 43.871 39.575 1.00 41.99 O +ATOM 1424 CB GLU A 204 42.759 45.880 41.991 1.00 44.20 C +ATOM 1425 CG GLU A 204 41.800 46.823 42.671 1.00 50.90 C +ATOM 1426 CD GLU A 204 41.837 46.672 44.184 1.00 53.96 C +ATOM 1427 OE1 GLU A 204 41.384 45.624 44.695 1.00 55.79 O +ATOM 1428 OE2 GLU A 204 42.330 47.598 44.863 1.00 57.51 O +ATOM 1429 N GLU A 205 45.112 45.477 40.045 1.00 40.47 N +ATOM 1430 CA GLU A 205 46.270 44.678 39.650 1.00 41.53 C +ATOM 1431 C GLU A 205 46.548 43.703 40.782 1.00 40.44 C +ATOM 1432 O GLU A 205 46.589 44.098 41.947 1.00 41.98 O +ATOM 1433 CB GLU A 205 47.506 45.562 39.450 1.00 43.57 C +ATOM 1434 CG GLU A 205 47.487 46.423 38.204 1.00 47.95 C +ATOM 1435 CD GLU A 205 47.668 45.616 36.933 1.00 52.91 C +ATOM 1436 OE1 GLU A 205 48.738 44.981 36.781 1.00 54.81 O +ATOM 1437 OE2 GLU A 205 46.743 45.617 36.085 1.00 53.94 O +ATOM 1438 N GLU A 206 46.728 42.431 40.453 1.00 38.97 N +ATOM 1439 CA GLU A 206 47.016 41.443 41.479 1.00 37.00 C +ATOM 1440 C GLU A 206 48.002 40.415 40.987 1.00 34.59 C +ATOM 1441 O GLU A 206 48.224 40.264 39.789 1.00 33.27 O +ATOM 1442 CB GLU A 206 45.749 40.722 41.922 1.00 40.62 C +ATOM 1443 CG GLU A 206 44.668 41.631 42.447 1.00 47.77 C +ATOM 1444 CD GLU A 206 43.512 40.857 43.033 1.00 53.52 C +ATOM 1445 OE1 GLU A 206 42.432 41.460 43.207 1.00 58.51 O +ATOM 1446 OE2 GLU A 206 43.682 39.650 43.326 1.00 56.58 O +ATOM 1447 N ASP A 207 48.588 39.709 41.941 1.00 34.31 N +ATOM 1448 CA ASP A 207 49.554 38.664 41.663 1.00 33.67 C +ATOM 1449 C ASP A 207 48.917 37.489 40.938 1.00 32.14 C +ATOM 1450 O ASP A 207 47.822 37.044 41.288 1.00 30.52 O +ATOM 1451 CB ASP A 207 50.152 38.142 42.973 1.00 36.96 C +ATOM 1452 CG ASP A 207 51.290 38.999 43.487 1.00 39.87 C +ATOM 1453 OD1 ASP A 207 51.472 40.130 42.982 1.00 42.02 O +ATOM 1454 OD2 ASP A 207 52.003 38.532 44.405 1.00 42.12 O +ATOM 1455 N PHE A 208 49.602 37.005 39.911 1.00 29.41 N +ATOM 1456 CA PHE A 208 49.143 35.832 39.200 1.00 27.89 C +ATOM 1457 C PHE A 208 50.348 34.906 39.267 1.00 27.51 C +ATOM 1458 O PHE A 208 51.423 35.217 38.761 1.00 25.89 O +ATOM 1459 CB PHE A 208 48.758 36.140 37.751 1.00 26.39 C +ATOM 1460 CG PHE A 208 48.131 34.969 37.047 1.00 27.86 C +ATOM 1461 CD1 PHE A 208 48.922 33.926 36.566 1.00 25.99 C +ATOM 1462 CD2 PHE A 208 46.743 34.867 36.934 1.00 25.07 C +ATOM 1463 CE1 PHE A 208 48.342 32.795 35.986 1.00 27.63 C +ATOM 1464 CE2 PHE A 208 46.156 33.740 36.356 1.00 27.66 C +ATOM 1465 CZ PHE A 208 46.959 32.699 35.881 1.00 25.66 C +ATOM 1466 N HIS A 209 50.163 33.772 39.922 1.00 28.83 N +ATOM 1467 CA HIS A 209 51.238 32.813 40.105 1.00 30.85 C +ATOM 1468 C HIS A 209 51.430 31.881 38.921 1.00 29.15 C +ATOM 1469 O HIS A 209 50.802 30.832 38.857 1.00 30.51 O +ATOM 1470 CB HIS A 209 50.954 32.008 41.377 1.00 30.61 C +ATOM 1471 CG HIS A 209 50.697 32.867 42.579 1.00 32.19 C +ATOM 1472 ND1 HIS A 209 51.696 33.252 43.449 1.00 30.79 N +ATOM 1473 CD2 HIS A 209 49.566 33.471 43.016 1.00 31.14 C +ATOM 1474 CE1 HIS A 209 51.192 34.059 44.367 1.00 30.99 C +ATOM 1475 NE2 HIS A 209 49.901 34.209 44.127 1.00 30.48 N +ATOM 1476 N VAL A 210 52.300 32.261 37.989 1.00 28.78 N +ATOM 1477 CA VAL A 210 52.562 31.429 36.822 1.00 29.47 C +ATOM 1478 C VAL A 210 53.024 30.065 37.322 1.00 31.64 C +ATOM 1479 O VAL A 210 52.629 29.031 36.778 1.00 31.40 O +ATOM 1480 CB VAL A 210 53.621 32.058 35.913 1.00 29.21 C +ATOM 1481 CG1 VAL A 210 53.834 31.183 34.674 1.00 25.87 C +ATOM 1482 CG2 VAL A 210 53.164 33.441 35.503 1.00 25.91 C +ATOM 1483 N ASP A 211 53.878 30.068 38.342 1.00 31.05 N +ATOM 1484 CA ASP A 211 54.303 28.826 38.978 1.00 32.10 C +ATOM 1485 C ASP A 211 54.490 29.106 40.459 1.00 34.37 C +ATOM 1486 O ASP A 211 54.201 30.211 40.923 1.00 34.16 O +ATOM 1487 CB ASP A 211 55.569 28.212 38.356 1.00 31.63 C +ATOM 1488 CG ASP A 211 56.775 29.125 38.397 1.00 33.57 C +ATOM 1489 OD1 ASP A 211 57.020 29.798 39.425 1.00 32.78 O +ATOM 1490 OD2 ASP A 211 57.504 29.137 37.384 1.00 34.48 O +ATOM 1491 N GLN A 212 54.956 28.116 41.207 1.00 35.02 N +ATOM 1492 CA GLN A 212 55.116 28.290 42.642 1.00 35.82 C +ATOM 1493 C GLN A 212 56.084 29.402 43.039 1.00 33.87 C +ATOM 1494 O GLN A 212 55.909 30.028 44.086 1.00 35.99 O +ATOM 1495 CB GLN A 212 55.552 26.964 43.283 1.00 38.45 C +ATOM 1496 CG GLN A 212 55.350 26.901 44.797 1.00 42.91 C +ATOM 1497 CD GLN A 212 55.719 25.541 45.394 1.00 43.32 C +ATOM 1498 OE1 GLN A 212 56.852 25.080 45.265 1.00 42.33 O +ATOM 1499 NE2 GLN A 212 54.756 24.901 46.052 1.00 43.49 N +ATOM 1500 N VAL A 213 57.087 29.667 42.206 1.00 31.11 N +ATOM 1501 CA VAL A 213 58.081 30.688 42.533 1.00 27.87 C +ATOM 1502 C VAL A 213 58.154 31.880 41.591 1.00 26.94 C +ATOM 1503 O VAL A 213 59.170 32.571 41.537 1.00 26.69 O +ATOM 1504 CB VAL A 213 59.493 30.064 42.621 1.00 25.71 C +ATOM 1505 CG1 VAL A 213 59.487 28.940 43.633 1.00 26.21 C +ATOM 1506 CG2 VAL A 213 59.931 29.547 41.262 1.00 23.26 C +ATOM 1507 N THR A 214 57.087 32.130 40.848 1.00 26.65 N +ATOM 1508 CA THR A 214 57.086 33.248 39.915 1.00 25.36 C +ATOM 1509 C THR A 214 55.693 33.845 39.807 1.00 24.84 C +ATOM 1510 O THR A 214 54.714 33.123 39.618 1.00 23.41 O +ATOM 1511 CB THR A 214 57.506 32.807 38.494 1.00 25.80 C +ATOM 1512 OG1 THR A 214 58.528 31.815 38.574 1.00 26.51 O +ATOM 1513 CG2 THR A 214 58.049 33.999 37.710 1.00 24.04 C +ATOM 1514 N THR A 215 55.604 35.163 39.930 1.00 25.02 N +ATOM 1515 CA THR A 215 54.323 35.840 39.816 1.00 26.98 C +ATOM 1516 C THR A 215 54.422 36.963 38.796 1.00 28.11 C +ATOM 1517 O THR A 215 55.512 37.407 38.453 1.00 27.65 O +ATOM 1518 CB THR A 215 53.885 36.447 41.148 1.00 28.66 C +ATOM 1519 OG1 THR A 215 54.869 37.394 41.581 1.00 34.61 O +ATOM 1520 CG2 THR A 215 53.724 35.366 42.207 1.00 29.11 C +ATOM 1521 N VAL A 216 53.271 37.400 38.300 1.00 29.16 N +ATOM 1522 CA VAL A 216 53.190 38.500 37.348 1.00 29.61 C +ATOM 1523 C VAL A 216 51.965 39.281 37.787 1.00 30.66 C +ATOM 1524 O VAL A 216 51.062 38.717 38.400 1.00 34.24 O +ATOM 1525 CB VAL A 216 52.993 38.008 35.899 1.00 29.74 C +ATOM 1526 CG1 VAL A 216 54.248 37.336 35.407 1.00 30.50 C +ATOM 1527 CG2 VAL A 216 51.835 37.040 35.826 1.00 28.09 C +ATOM 1528 N LYS A 217 51.932 40.575 37.509 1.00 31.47 N +ATOM 1529 CA LYS A 217 50.785 41.387 37.898 1.00 32.06 C +ATOM 1530 C LYS A 217 49.771 41.339 36.773 1.00 31.81 C +ATOM 1531 O LYS A 217 50.138 41.398 35.603 1.00 31.61 O +ATOM 1532 CB LYS A 217 51.209 42.841 38.131 1.00 34.18 C +ATOM 1533 CG LYS A 217 52.152 43.058 39.307 1.00 32.42 C +ATOM 1534 CD LYS A 217 51.439 42.845 40.624 1.00 33.68 C +ATOM 1535 CE LYS A 217 52.368 43.141 41.798 1.00 34.06 C +ATOM 1536 NZ LYS A 217 51.651 42.994 43.097 1.00 36.34 N +ATOM 1537 N VAL A 218 48.498 41.216 37.119 1.00 32.62 N +ATOM 1538 CA VAL A 218 47.460 41.176 36.102 1.00 32.54 C +ATOM 1539 C VAL A 218 46.203 41.863 36.606 1.00 32.24 C +ATOM 1540 O VAL A 218 45.889 41.796 37.793 1.00 32.59 O +ATOM 1541 CB VAL A 218 47.080 39.719 35.728 1.00 32.67 C +ATOM 1542 CG1 VAL A 218 48.332 38.912 35.423 1.00 35.18 C +ATOM 1543 CG2 VAL A 218 46.293 39.078 36.859 1.00 31.78 C +ATOM 1544 N PRO A 219 45.480 42.559 35.714 1.00 33.30 N +ATOM 1545 CA PRO A 219 44.248 43.224 36.149 1.00 32.67 C +ATOM 1546 C PRO A 219 43.285 42.122 36.573 1.00 33.53 C +ATOM 1547 O PRO A 219 43.007 41.196 35.807 1.00 33.80 O +ATOM 1548 CB PRO A 219 43.792 43.979 34.897 1.00 31.82 C +ATOM 1549 CG PRO A 219 44.431 43.228 33.769 1.00 34.28 C +ATOM 1550 CD PRO A 219 45.788 42.877 34.309 1.00 33.26 C +ATOM 1551 N MET A 220 42.794 42.216 37.802 1.00 32.69 N +ATOM 1552 CA MET A 220 41.909 41.201 38.345 1.00 32.36 C +ATOM 1553 C MET A 220 40.509 41.732 38.595 1.00 33.29 C +ATOM 1554 O MET A 220 40.308 42.610 39.427 1.00 33.86 O +ATOM 1555 CB MET A 220 42.496 40.664 39.657 1.00 32.08 C +ATOM 1556 CG MET A 220 41.927 39.331 40.128 1.00 33.91 C +ATOM 1557 SD MET A 220 42.409 37.942 39.059 1.00 34.12 S +ATOM 1558 CE MET A 220 43.984 37.436 39.797 1.00 31.20 C +ATOM 1559 N MET A 221 39.540 41.203 37.860 1.00 32.72 N +ATOM 1560 CA MET A 221 38.158 41.613 38.046 1.00 31.17 C +ATOM 1561 C MET A 221 37.704 40.885 39.303 1.00 31.62 C +ATOM 1562 O MET A 221 38.198 39.800 39.618 1.00 30.34 O +ATOM 1563 CB MET A 221 37.303 41.173 36.857 1.00 28.92 C +ATOM 1564 CG MET A 221 37.915 41.504 35.508 1.00 29.49 C +ATOM 1565 SD MET A 221 36.830 41.087 34.130 1.00 31.05 S +ATOM 1566 CE MET A 221 36.920 39.261 34.181 1.00 30.30 C +ATOM 1567 N LYS A 222 36.786 41.481 40.045 1.00 31.55 N +ATOM 1568 CA LYS A 222 36.316 40.814 41.233 1.00 33.23 C +ATOM 1569 C LYS A 222 34.913 41.242 41.581 1.00 32.76 C +ATOM 1570 O LYS A 222 34.503 42.369 41.301 1.00 33.17 O +ATOM 1571 CB LYS A 222 37.265 41.064 42.407 1.00 36.35 C +ATOM 1572 CG LYS A 222 37.271 42.472 42.941 1.00 40.99 C +ATOM 1573 CD LYS A 222 38.312 42.625 44.041 1.00 43.37 C +ATOM 1574 CE LYS A 222 39.719 42.406 43.501 1.00 46.13 C +ATOM 1575 NZ LYS A 222 40.771 42.711 44.527 1.00 46.75 N +ATOM 1576 N ARG A 223 34.163 40.313 42.159 1.00 30.07 N +ATOM 1577 CA ARG A 223 32.804 40.596 42.560 1.00 29.75 C +ATOM 1578 C ARG A 223 32.338 39.589 43.585 1.00 31.39 C +ATOM 1579 O ARG A 223 32.672 38.403 43.512 1.00 30.83 O +ATOM 1580 CB ARG A 223 31.855 40.568 41.355 1.00 27.36 C +ATOM 1581 CG ARG A 223 30.404 40.842 41.734 1.00 28.43 C +ATOM 1582 CD ARG A 223 29.527 41.098 40.520 1.00 31.54 C +ATOM 1583 NE ARG A 223 29.357 39.915 39.679 1.00 33.63 N +ATOM 1584 CZ ARG A 223 28.537 38.908 39.957 1.00 33.69 C +ATOM 1585 NH1 ARG A 223 27.806 38.933 41.060 1.00 33.90 N +ATOM 1586 NH2 ARG A 223 28.435 37.882 39.119 1.00 35.67 N +ATOM 1587 N LEU A 224 31.571 40.086 44.546 1.00 32.23 N +ATOM 1588 CA LEU A 224 30.998 39.268 45.593 1.00 32.86 C +ATOM 1589 C LEU A 224 29.563 39.016 45.170 1.00 33.61 C +ATOM 1590 O LEU A 224 28.796 39.958 44.960 1.00 35.21 O +ATOM 1591 CB LEU A 224 31.011 40.018 46.921 1.00 31.78 C +ATOM 1592 CG LEU A 224 30.183 39.374 48.031 1.00 33.86 C +ATOM 1593 CD1 LEU A 224 30.710 37.980 48.339 1.00 32.70 C +ATOM 1594 CD2 LEU A 224 30.242 40.255 49.270 1.00 34.98 C +ATOM 1595 N GLY A 225 29.202 37.748 45.029 1.00 33.28 N +ATOM 1596 CA GLY A 225 27.852 37.423 44.626 1.00 32.10 C +ATOM 1597 C GLY A 225 27.592 35.941 44.704 1.00 32.22 C +ATOM 1598 O GLY A 225 28.297 35.207 45.397 1.00 31.82 O +ATOM 1599 N MET A 226 26.560 35.505 43.994 1.00 32.20 N +ATOM 1600 CA MET A 226 26.191 34.101 43.953 1.00 32.60 C +ATOM 1601 C MET A 226 26.724 33.532 42.655 1.00 31.68 C +ATOM 1602 O MET A 226 26.332 33.964 41.575 1.00 33.33 O +ATOM 1603 CB MET A 226 24.673 33.956 44.019 1.00 32.42 C +ATOM 1604 CG MET A 226 24.084 34.442 45.335 1.00 34.62 C +ATOM 1605 SD MET A 226 24.835 33.593 46.769 1.00 41.92 S +ATOM 1606 CE MET A 226 24.014 31.989 46.653 1.00 33.29 C +ATOM 1607 N PHE A 227 27.627 32.566 42.762 1.00 29.32 N +ATOM 1608 CA PHE A 227 28.226 31.968 41.581 1.00 27.45 C +ATOM 1609 C PHE A 227 28.026 30.465 41.497 1.00 26.00 C +ATOM 1610 O PHE A 227 27.857 29.787 42.506 1.00 27.52 O +ATOM 1611 CB PHE A 227 29.725 32.269 41.552 1.00 24.33 C +ATOM 1612 CG PHE A 227 30.051 33.725 41.367 1.00 27.25 C +ATOM 1613 CD1 PHE A 227 30.070 34.293 40.094 1.00 25.08 C +ATOM 1614 CD2 PHE A 227 30.340 34.532 42.466 1.00 26.18 C +ATOM 1615 CE1 PHE A 227 30.375 35.643 39.920 1.00 25.79 C +ATOM 1616 CE2 PHE A 227 30.644 35.883 42.303 1.00 26.09 C +ATOM 1617 CZ PHE A 227 30.662 36.441 41.027 1.00 24.78 C +ATOM 1618 N ASN A 228 28.034 29.961 40.272 1.00 23.41 N +ATOM 1619 CA ASN A 228 27.914 28.541 40.020 1.00 25.60 C +ATOM 1620 C ASN A 228 29.377 28.143 40.120 1.00 26.70 C +ATOM 1621 O ASN A 228 30.084 28.035 39.111 1.00 28.35 O +ATOM 1622 CB ASN A 228 27.380 28.311 38.606 1.00 25.96 C +ATOM 1623 CG ASN A 228 27.028 26.869 38.340 1.00 26.38 C +ATOM 1624 OD1 ASN A 228 26.155 26.578 37.519 1.00 31.26 O +ATOM 1625 ND2 ASN A 228 27.708 25.955 39.015 1.00 21.37 N +ATOM 1626 N ILE A 229 29.831 27.961 41.354 1.00 27.39 N +ATOM 1627 CA ILE A 229 31.221 27.640 41.617 1.00 27.80 C +ATOM 1628 C ILE A 229 31.285 26.607 42.723 1.00 29.89 C +ATOM 1629 O ILE A 229 30.465 26.607 43.638 1.00 29.44 O +ATOM 1630 CB ILE A 229 31.979 28.926 42.030 1.00 28.29 C +ATOM 1631 CG1 ILE A 229 33.475 28.667 42.127 1.00 27.79 C +ATOM 1632 CG2 ILE A 229 31.434 29.449 43.352 1.00 27.81 C +ATOM 1633 CD1 ILE A 229 34.269 29.934 42.332 1.00 30.73 C +ATOM 1634 N GLN A 230 32.268 25.726 42.642 1.00 32.41 N +ATOM 1635 CA GLN A 230 32.393 24.664 43.623 1.00 35.11 C +ATOM 1636 C GLN A 230 33.718 23.962 43.454 1.00 35.58 C +ATOM 1637 O GLN A 230 34.336 24.034 42.393 1.00 36.72 O +ATOM 1638 CB GLN A 230 31.267 23.642 43.435 1.00 35.24 C +ATOM 1639 CG GLN A 230 31.127 23.108 41.999 1.00 35.18 C +ATOM 1640 CD GLN A 230 30.237 23.983 41.120 1.00 37.91 C +ATOM 1641 OE1 GLN A 230 30.714 24.672 40.209 1.00 38.67 O +ATOM 1642 NE2 GLN A 230 28.934 23.962 41.394 1.00 35.79 N +ATOM 1643 N HIS A 231 34.147 23.267 44.496 1.00 36.03 N +ATOM 1644 CA HIS A 231 35.400 22.548 44.421 1.00 38.97 C +ATOM 1645 C HIS A 231 35.151 21.057 44.202 1.00 39.72 C +ATOM 1646 O HIS A 231 34.420 20.420 44.957 1.00 41.52 O +ATOM 1647 CB HIS A 231 36.222 22.774 45.691 1.00 40.40 C +ATOM 1648 CG HIS A 231 37.573 22.135 45.641 1.00 42.99 C +ATOM 1649 ND1 HIS A 231 37.759 20.776 45.789 1.00 43.05 N +ATOM 1650 CD2 HIS A 231 38.796 22.658 45.391 1.00 42.03 C +ATOM 1651 CE1 HIS A 231 39.038 20.490 45.631 1.00 44.87 C +ATOM 1652 NE2 HIS A 231 39.689 21.615 45.388 1.00 46.55 N +ATOM 1653 N SER A 232 35.753 20.513 43.154 1.00 40.36 N +ATOM 1654 CA SER A 232 35.611 19.101 42.828 1.00 41.72 C +ATOM 1655 C SER A 232 36.800 18.294 43.345 1.00 43.58 C +ATOM 1656 O SER A 232 37.948 18.529 42.943 1.00 43.08 O +ATOM 1657 CB SER A 232 35.501 18.922 41.317 1.00 39.67 C +ATOM 1658 OG SER A 232 35.682 17.564 40.958 1.00 40.90 O +ATOM 1659 N LYS A 233 36.528 17.341 44.234 1.00 44.57 N +ATOM 1660 CA LYS A 233 37.592 16.506 44.783 1.00 46.06 C +ATOM 1661 C LYS A 233 38.112 15.556 43.702 1.00 45.89 C +ATOM 1662 O LYS A 233 39.283 15.170 43.708 1.00 45.45 O +ATOM 1663 CB LYS A 233 37.078 15.714 45.982 1.00 45.85 C +ATOM 1664 N LYS A 234 37.236 15.203 42.767 1.00 45.84 N +ATOM 1665 CA LYS A 234 37.583 14.293 41.679 1.00 46.29 C +ATOM 1666 C LYS A 234 38.590 14.904 40.707 1.00 45.36 C +ATOM 1667 O LYS A 234 39.468 14.212 40.190 1.00 44.60 O +ATOM 1668 CB LYS A 234 36.313 13.898 40.926 1.00 49.93 C +ATOM 1669 CG LYS A 234 36.423 12.620 40.111 1.00 54.89 C +ATOM 1670 CD LYS A 234 37.192 12.807 38.818 1.00 57.78 C +ATOM 1671 CE LYS A 234 37.332 11.478 38.083 1.00 59.80 C +ATOM 1672 NZ LYS A 234 36.001 10.836 37.834 1.00 61.89 N +ATOM 1673 N LEU A 235 38.459 16.202 40.457 1.00 43.68 N +ATOM 1674 CA LEU A 235 39.362 16.893 39.543 1.00 41.61 C +ATOM 1675 C LEU A 235 40.419 17.689 40.302 1.00 40.71 C +ATOM 1676 O LEU A 235 41.339 18.233 39.702 1.00 39.33 O +ATOM 1677 CB LEU A 235 38.566 17.832 38.638 1.00 41.71 C +ATOM 1678 CG LEU A 235 37.548 17.175 37.699 1.00 41.78 C +ATOM 1679 CD1 LEU A 235 36.752 18.242 36.964 1.00 41.06 C +ATOM 1680 CD2 LEU A 235 38.276 16.283 36.712 1.00 41.36 C +ATOM 1681 N SER A 236 40.288 17.743 41.623 1.00 40.03 N +ATOM 1682 CA SER A 236 41.224 18.493 42.452 1.00 40.51 C +ATOM 1683 C SER A 236 41.248 19.922 41.920 1.00 38.54 C +ATOM 1684 O SER A 236 42.315 20.522 41.770 1.00 38.97 O +ATOM 1685 CB SER A 236 42.631 17.892 42.358 1.00 41.90 C +ATOM 1686 OG SER A 236 42.604 16.485 42.520 1.00 43.76 O +ATOM 1687 N SER A 237 40.066 20.464 41.637 1.00 35.27 N +ATOM 1688 CA SER A 237 39.969 21.812 41.090 1.00 33.49 C +ATOM 1689 C SER A 237 38.686 22.541 41.446 1.00 32.44 C +ATOM 1690 O SER A 237 37.645 21.928 41.696 1.00 32.86 O +ATOM 1691 CB SER A 237 40.045 21.763 39.559 1.00 30.18 C +ATOM 1692 OG SER A 237 41.129 20.978 39.104 1.00 32.79 O +ATOM 1693 N TRP A 238 38.766 23.862 41.477 1.00 30.99 N +ATOM 1694 CA TRP A 238 37.572 24.653 41.700 1.00 31.01 C +ATOM 1695 C TRP A 238 37.009 24.767 40.280 1.00 30.99 C +ATOM 1696 O TRP A 238 37.769 24.888 39.308 1.00 28.55 O +ATOM 1697 CB TRP A 238 37.914 26.042 42.237 1.00 32.31 C +ATOM 1698 CG TRP A 238 38.042 26.088 43.729 1.00 35.31 C +ATOM 1699 CD1 TRP A 238 39.175 25.884 44.465 1.00 34.56 C +ATOM 1700 CD2 TRP A 238 36.992 26.358 44.670 1.00 34.54 C +ATOM 1701 NE1 TRP A 238 38.896 26.017 45.809 1.00 37.23 N +ATOM 1702 CE2 TRP A 238 37.566 26.310 45.962 1.00 34.44 C +ATOM 1703 CE3 TRP A 238 35.623 26.640 44.547 1.00 33.92 C +ATOM 1704 CZ2 TRP A 238 36.821 26.536 47.122 1.00 35.18 C +ATOM 1705 CZ3 TRP A 238 34.876 26.867 45.705 1.00 34.49 C +ATOM 1706 CH2 TRP A 238 35.482 26.814 46.977 1.00 34.98 C +ATOM 1707 N VAL A 239 35.690 24.701 40.155 1.00 30.02 N +ATOM 1708 CA VAL A 239 35.060 24.792 38.850 1.00 27.31 C +ATOM 1709 C VAL A 239 34.045 25.927 38.873 1.00 26.95 C +ATOM 1710 O VAL A 239 33.158 25.972 39.727 1.00 25.48 O +ATOM 1711 CB VAL A 239 34.369 23.456 38.485 1.00 27.43 C +ATOM 1712 CG1 VAL A 239 33.849 23.507 37.057 1.00 25.64 C +ATOM 1713 CG2 VAL A 239 35.362 22.306 38.651 1.00 24.85 C +ATOM 1714 N LEU A 240 34.187 26.846 37.926 1.00 25.58 N +ATOM 1715 CA LEU A 240 33.305 28.001 37.829 1.00 25.91 C +ATOM 1716 C LEU A 240 32.599 28.078 36.481 1.00 26.14 C +ATOM 1717 O LEU A 240 33.217 27.854 35.440 1.00 24.68 O +ATOM 1718 CB LEU A 240 34.113 29.280 38.024 1.00 25.04 C +ATOM 1719 CG LEU A 240 33.419 30.578 37.606 1.00 28.30 C +ATOM 1720 CD1 LEU A 240 32.344 30.941 38.641 1.00 25.71 C +ATOM 1721 CD2 LEU A 240 34.458 31.703 37.487 1.00 28.21 C +ATOM 1722 N LEU A 241 31.305 28.388 36.512 1.00 26.84 N +ATOM 1723 CA LEU A 241 30.520 28.538 35.290 1.00 27.73 C +ATOM 1724 C LEU A 241 29.916 29.937 35.253 1.00 28.30 C +ATOM 1725 O LEU A 241 29.215 30.349 36.179 1.00 26.17 O +ATOM 1726 CB LEU A 241 29.390 27.510 35.209 1.00 26.56 C +ATOM 1727 CG LEU A 241 29.722 26.071 34.834 1.00 26.77 C +ATOM 1728 CD1 LEU A 241 30.458 25.385 35.981 1.00 26.50 C +ATOM 1729 CD2 LEU A 241 28.412 25.341 34.535 1.00 29.25 C +ATOM 1730 N MET A 242 30.186 30.649 34.168 1.00 28.87 N +ATOM 1731 CA MET A 242 29.698 32.007 33.981 1.00 32.22 C +ATOM 1732 C MET A 242 28.897 32.073 32.692 1.00 32.96 C +ATOM 1733 O MET A 242 29.419 31.760 31.620 1.00 32.95 O +ATOM 1734 CB MET A 242 30.880 32.971 33.868 1.00 34.29 C +ATOM 1735 CG MET A 242 31.835 32.955 35.040 1.00 37.43 C +ATOM 1736 SD MET A 242 31.492 34.282 36.185 1.00 38.58 S +ATOM 1737 CE MET A 242 32.186 35.644 35.279 1.00 37.84 C +ATOM 1738 N LYS A 243 27.640 32.487 32.786 1.00 34.18 N +ATOM 1739 CA LYS A 243 26.815 32.588 31.593 1.00 37.60 C +ATOM 1740 C LYS A 243 27.025 33.900 30.849 1.00 36.59 C +ATOM 1741 O LYS A 243 27.067 34.979 31.442 1.00 36.74 O +ATOM 1742 CB LYS A 243 25.329 32.428 31.937 1.00 39.77 C +ATOM 1743 CG LYS A 243 24.947 31.007 32.317 1.00 46.46 C +ATOM 1744 CD LYS A 243 23.443 30.847 32.444 1.00 51.63 C +ATOM 1745 CE LYS A 243 23.066 29.407 32.785 1.00 55.18 C +ATOM 1746 NZ LYS A 243 21.586 29.234 32.923 1.00 57.22 N +ATOM 1747 N TYR A 244 27.173 33.787 29.539 1.00 36.32 N +ATOM 1748 CA TYR A 244 27.348 34.946 28.691 1.00 37.30 C +ATOM 1749 C TYR A 244 25.984 35.407 28.240 1.00 39.52 C +ATOM 1750 O TYR A 244 25.027 34.633 28.190 1.00 40.00 O +ATOM 1751 CB TYR A 244 28.154 34.600 27.442 1.00 32.80 C +ATOM 1752 CG TYR A 244 29.647 34.637 27.613 1.00 31.58 C +ATOM 1753 CD1 TYR A 244 30.308 35.833 27.889 1.00 30.35 C +ATOM 1754 CD2 TYR A 244 30.411 33.485 27.433 1.00 30.04 C +ATOM 1755 CE1 TYR A 244 31.695 35.881 27.971 1.00 30.14 C +ATOM 1756 CE2 TYR A 244 31.788 33.520 27.511 1.00 29.82 C +ATOM 1757 CZ TYR A 244 32.422 34.719 27.774 1.00 29.29 C +ATOM 1758 OH TYR A 244 33.786 34.747 27.801 1.00 34.46 O +ATOM 1759 N LEU A 245 25.904 36.685 27.919 1.00 42.22 N +ATOM 1760 CA LEU A 245 24.680 37.255 27.406 1.00 45.63 C +ATOM 1761 C LEU A 245 24.802 36.797 25.954 1.00 46.94 C +ATOM 1762 O LEU A 245 25.717 37.219 25.247 1.00 50.02 O +ATOM 1763 CB LEU A 245 24.758 38.780 27.507 1.00 45.92 C +ATOM 1764 CG LEU A 245 23.511 39.641 27.348 1.00 47.22 C +ATOM 1765 CD1 LEU A 245 22.463 39.250 28.384 1.00 47.94 C +ATOM 1766 CD2 LEU A 245 23.909 41.099 27.517 1.00 46.54 C +ATOM 1767 N GLY A 246 23.936 35.895 25.513 1.00 47.98 N +ATOM 1768 CA GLY A 246 24.041 35.449 24.134 1.00 48.55 C +ATOM 1769 C GLY A 246 24.100 33.951 23.910 1.00 48.43 C +ATOM 1770 O GLY A 246 24.558 33.494 22.865 1.00 49.69 O +ATOM 1771 N ASN A 247 23.648 33.180 24.889 1.00 48.83 N +ATOM 1772 CA ASN A 247 23.627 31.726 24.762 1.00 49.22 C +ATOM 1773 C ASN A 247 25.002 31.084 24.614 1.00 46.19 C +ATOM 1774 O ASN A 247 25.285 30.397 23.632 1.00 46.06 O +ATOM 1775 CB ASN A 247 22.748 31.321 23.575 1.00 53.05 C +ATOM 1776 CG ASN A 247 21.446 32.097 23.528 1.00 56.06 C +ATOM 1777 OD1 ASN A 247 20.752 32.235 24.542 1.00 56.40 O +ATOM 1778 ND2 ASN A 247 21.106 32.610 22.347 1.00 56.73 N +ATOM 1779 N ALA A 248 25.852 31.322 25.602 1.00 42.63 N +ATOM 1780 CA ALA A 248 27.190 30.753 25.643 1.00 38.51 C +ATOM 1781 C ALA A 248 27.546 30.698 27.115 1.00 36.44 C +ATOM 1782 O ALA A 248 27.098 31.532 27.902 1.00 34.06 O +ATOM 1783 CB ALA A 248 28.175 31.626 24.898 1.00 37.91 C +ATOM 1784 N THR A 249 28.337 29.708 27.491 1.00 34.33 N +ATOM 1785 CA THR A 249 28.727 29.562 28.874 1.00 32.48 C +ATOM 1786 C THR A 249 30.204 29.291 28.963 1.00 29.51 C +ATOM 1787 O THR A 249 30.743 28.496 28.204 1.00 27.98 O +ATOM 1788 CB THR A 249 27.973 28.400 29.551 1.00 34.26 C +ATOM 1789 OG1 THR A 249 26.615 28.787 29.789 1.00 38.59 O +ATOM 1790 CG2 THR A 249 28.639 28.023 30.877 1.00 35.28 C +ATOM 1791 N ALA A 250 30.856 29.962 29.901 1.00 28.52 N +ATOM 1792 CA ALA A 250 32.276 29.774 30.102 1.00 26.94 C +ATOM 1793 C ALA A 250 32.450 28.941 31.368 1.00 25.42 C +ATOM 1794 O ALA A 250 31.820 29.203 32.393 1.00 23.98 O +ATOM 1795 CB ALA A 250 32.969 31.122 30.247 1.00 25.80 C +ATOM 1796 N ILE A 251 33.284 27.914 31.287 1.00 24.34 N +ATOM 1797 CA ILE A 251 33.526 27.076 32.447 1.00 24.45 C +ATOM 1798 C ILE A 251 35.034 27.035 32.676 1.00 23.28 C +ATOM 1799 O ILE A 251 35.799 26.765 31.761 1.00 22.19 O +ATOM 1800 CB ILE A 251 32.935 25.661 32.240 1.00 24.97 C +ATOM 1801 CG1 ILE A 251 33.346 24.750 33.395 1.00 25.09 C +ATOM 1802 CG2 ILE A 251 33.364 25.102 30.889 1.00 25.37 C +ATOM 1803 CD1 ILE A 251 32.526 23.468 33.477 1.00 26.13 C +ATOM 1804 N PHE A 252 35.453 27.336 33.901 1.00 23.63 N +ATOM 1805 CA PHE A 252 36.869 27.379 34.237 1.00 23.56 C +ATOM 1806 C PHE A 252 37.271 26.310 35.252 1.00 23.45 C +ATOM 1807 O PHE A 252 36.562 26.065 36.221 1.00 21.84 O +ATOM 1808 CB PHE A 252 37.213 28.758 34.809 1.00 25.26 C +ATOM 1809 CG PHE A 252 36.833 29.914 33.916 1.00 21.54 C +ATOM 1810 CD1 PHE A 252 37.793 30.552 33.142 1.00 22.56 C +ATOM 1811 CD2 PHE A 252 35.533 30.400 33.903 1.00 21.72 C +ATOM 1812 CE1 PHE A 252 37.470 31.668 32.369 1.00 24.76 C +ATOM 1813 CE2 PHE A 252 35.193 31.514 33.135 1.00 24.54 C +ATOM 1814 CZ PHE A 252 36.167 32.151 32.367 1.00 25.49 C +ATOM 1815 N PHE A 253 38.423 25.693 35.029 1.00 23.23 N +ATOM 1816 CA PHE A 253 38.930 24.662 35.928 1.00 24.88 C +ATOM 1817 C PHE A 253 40.233 25.141 36.563 1.00 25.46 C +ATOM 1818 O PHE A 253 41.254 25.269 35.892 1.00 23.73 O +ATOM 1819 CB PHE A 253 39.170 23.367 35.153 1.00 26.19 C +ATOM 1820 CG PHE A 253 37.930 22.824 34.489 1.00 27.49 C +ATOM 1821 CD1 PHE A 253 37.063 21.986 35.186 1.00 28.33 C +ATOM 1822 CD2 PHE A 253 37.612 23.183 33.186 1.00 24.70 C +ATOM 1823 CE1 PHE A 253 35.899 21.517 34.596 1.00 27.49 C +ATOM 1824 CE2 PHE A 253 36.452 22.720 32.584 1.00 28.13 C +ATOM 1825 CZ PHE A 253 35.592 21.884 33.291 1.00 27.65 C +ATOM 1826 N LEU A 254 40.178 25.417 37.861 1.00 26.11 N +ATOM 1827 CA LEU A 254 41.338 25.880 38.611 1.00 26.61 C +ATOM 1828 C LEU A 254 41.904 24.693 39.404 1.00 27.05 C +ATOM 1829 O LEU A 254 41.424 24.361 40.488 1.00 23.68 O +ATOM 1830 CB LEU A 254 40.904 26.992 39.564 1.00 25.90 C +ATOM 1831 CG LEU A 254 41.980 27.714 40.366 1.00 28.08 C +ATOM 1832 CD1 LEU A 254 42.884 28.517 39.427 1.00 26.76 C +ATOM 1833 CD2 LEU A 254 41.293 28.638 41.363 1.00 27.65 C +ATOM 1834 N PRO A 255 42.941 24.040 38.869 1.00 28.53 N +ATOM 1835 CA PRO A 255 43.514 22.895 39.580 1.00 30.97 C +ATOM 1836 C PRO A 255 44.253 23.297 40.848 1.00 35.04 C +ATOM 1837 O PRO A 255 44.815 24.394 40.924 1.00 36.00 O +ATOM 1838 CB PRO A 255 44.440 22.283 38.540 1.00 28.43 C +ATOM 1839 CG PRO A 255 44.967 23.509 37.824 1.00 30.53 C +ATOM 1840 CD PRO A 255 43.736 24.388 37.675 1.00 27.52 C +ATOM 1841 N ASP A 256 44.232 22.417 41.849 1.00 39.07 N +ATOM 1842 CA ASP A 256 44.941 22.671 43.100 1.00 41.57 C +ATOM 1843 C ASP A 256 46.430 22.657 42.760 1.00 42.83 C +ATOM 1844 O ASP A 256 46.813 22.216 41.671 1.00 41.00 O +ATOM 1845 CB ASP A 256 44.650 21.575 44.133 1.00 42.51 C +ATOM 1846 CG ASP A 256 43.187 21.526 44.552 1.00 45.33 C +ATOM 1847 OD1 ASP A 256 42.579 22.599 44.775 1.00 43.85 O +ATOM 1848 OD2 ASP A 256 42.647 20.403 44.678 1.00 47.54 O +ATOM 1849 N GLU A 257 47.269 23.122 43.683 1.00 45.43 N +ATOM 1850 CA GLU A 257 48.713 23.155 43.441 1.00 48.15 C +ATOM 1851 C GLU A 257 49.255 21.832 42.926 1.00 45.93 C +ATOM 1852 O GLU A 257 49.021 20.782 43.517 1.00 47.54 O +ATOM 1853 CB GLU A 257 49.468 23.536 44.718 1.00 53.14 C +ATOM 1854 CG GLU A 257 49.210 24.961 45.197 1.00 58.92 C +ATOM 1855 CD GLU A 257 49.746 26.019 44.245 1.00 62.26 C +ATOM 1856 OE1 GLU A 257 49.467 27.214 44.482 1.00 65.87 O +ATOM 1857 OE2 GLU A 257 50.446 25.663 43.271 1.00 63.45 O +ATOM 1858 N GLY A 258 49.973 21.896 41.811 1.00 45.44 N +ATOM 1859 CA GLY A 258 50.560 20.705 41.223 1.00 43.53 C +ATOM 1860 C GLY A 258 49.598 19.703 40.617 1.00 43.13 C +ATOM 1861 O GLY A 258 50.014 18.606 40.254 1.00 43.96 O +ATOM 1862 N LYS A 259 48.325 20.068 40.483 1.00 42.10 N +ATOM 1863 CA LYS A 259 47.336 19.149 39.925 1.00 39.39 C +ATOM 1864 C LYS A 259 46.842 19.484 38.521 1.00 38.34 C +ATOM 1865 O LYS A 259 45.785 19.000 38.106 1.00 38.48 O +ATOM 1866 CB LYS A 259 46.141 19.041 40.871 1.00 40.90 C +ATOM 1867 CG LYS A 259 46.458 18.325 42.178 1.00 42.97 C +ATOM 1868 CD LYS A 259 46.855 16.876 41.917 1.00 45.47 C +ATOM 1869 CE LYS A 259 47.308 16.192 43.195 1.00 47.75 C +ATOM 1870 NZ LYS A 259 46.262 16.277 44.249 1.00 50.48 N +ATOM 1871 N LEU A 260 47.598 20.299 37.787 1.00 34.45 N +ATOM 1872 CA LEU A 260 47.205 20.661 36.432 1.00 32.48 C +ATOM 1873 C LEU A 260 47.163 19.430 35.540 1.00 33.60 C +ATOM 1874 O LEU A 260 46.187 19.208 34.830 1.00 31.50 O +ATOM 1875 CB LEU A 260 48.175 21.679 35.825 1.00 32.03 C +ATOM 1876 CG LEU A 260 47.990 21.948 34.322 1.00 31.20 C +ATOM 1877 CD1 LEU A 260 46.653 22.644 34.071 1.00 29.57 C +ATOM 1878 CD2 LEU A 260 49.148 22.799 33.808 1.00 31.55 C +ATOM 1879 N GLN A 261 48.232 18.641 35.566 1.00 34.75 N +ATOM 1880 CA GLN A 261 48.298 17.439 34.743 1.00 36.81 C +ATOM 1881 C GLN A 261 47.186 16.467 35.132 1.00 35.59 C +ATOM 1882 O GLN A 261 46.601 15.821 34.271 1.00 36.06 O +ATOM 1883 CB GLN A 261 49.674 16.771 34.875 1.00 39.84 C +ATOM 1884 CG GLN A 261 50.848 17.601 34.319 1.00 45.11 C +ATOM 1885 CD GLN A 261 51.117 18.886 35.112 1.00 48.03 C +ATOM 1886 OE1 GLN A 261 51.229 18.863 36.342 1.00 50.70 O +ATOM 1887 NE2 GLN A 261 51.232 20.008 34.405 1.00 47.11 N +ATOM 1888 N HIS A 262 46.893 16.375 36.425 1.00 35.70 N +ATOM 1889 CA HIS A 262 45.826 15.503 36.915 1.00 38.53 C +ATOM 1890 C HIS A 262 44.500 15.922 36.271 1.00 39.02 C +ATOM 1891 O HIS A 262 43.785 15.093 35.708 1.00 40.56 O +ATOM 1892 CB HIS A 262 45.711 15.617 38.442 1.00 40.40 C +ATOM 1893 CG HIS A 262 44.483 14.971 39.014 1.00 44.31 C +ATOM 1894 ND1 HIS A 262 44.294 13.605 39.030 1.00 45.21 N +ATOM 1895 CD2 HIS A 262 43.381 15.508 39.591 1.00 44.42 C +ATOM 1896 CE1 HIS A 262 43.130 13.329 39.592 1.00 44.60 C +ATOM 1897 NE2 HIS A 262 42.556 14.466 39.940 1.00 44.66 N +ATOM 1898 N LEU A 263 44.188 17.215 36.362 1.00 38.01 N +ATOM 1899 CA LEU A 263 42.962 17.786 35.802 1.00 36.02 C +ATOM 1900 C LEU A 263 42.824 17.578 34.299 1.00 36.29 C +ATOM 1901 O LEU A 263 41.772 17.156 33.817 1.00 35.45 O +ATOM 1902 CB LEU A 263 42.903 19.292 36.082 1.00 33.56 C +ATOM 1903 CG LEU A 263 41.923 20.107 35.232 1.00 33.51 C +ATOM 1904 CD1 LEU A 263 40.486 19.783 35.643 1.00 29.56 C +ATOM 1905 CD2 LEU A 263 42.212 21.595 35.410 1.00 32.81 C +ATOM 1906 N GLU A 264 43.879 17.900 33.563 1.00 35.03 N +ATOM 1907 CA GLU A 264 43.861 17.765 32.113 1.00 37.36 C +ATOM 1908 C GLU A 264 43.683 16.295 31.738 1.00 38.64 C +ATOM 1909 O GLU A 264 43.237 15.960 30.642 1.00 37.82 O +ATOM 1910 CB GLU A 264 45.170 18.311 31.522 1.00 35.45 C +ATOM 1911 CG GLU A 264 45.504 19.744 31.956 1.00 36.13 C +ATOM 1912 CD GLU A 264 46.801 20.276 31.347 1.00 37.83 C +ATOM 1913 OE1 GLU A 264 47.838 19.577 31.424 1.00 37.06 O +ATOM 1914 OE2 GLU A 264 46.785 21.401 30.797 1.00 36.86 O +ATOM 1915 N ASN A 265 44.011 15.427 32.682 1.00 41.24 N +ATOM 1916 CA ASN A 265 43.933 13.994 32.475 1.00 43.77 C +ATOM 1917 C ASN A 265 42.587 13.389 32.849 1.00 42.41 C +ATOM 1918 O ASN A 265 42.187 12.383 32.278 1.00 43.84 O +ATOM 1919 CB ASN A 265 45.035 13.317 33.288 1.00 48.65 C +ATOM 1920 CG ASN A 265 45.667 12.161 32.558 1.00 53.94 C +ATOM 1921 OD1 ASN A 265 45.028 11.130 32.321 1.00 57.87 O +ATOM 1922 ND2 ASN A 265 46.933 12.325 32.183 1.00 55.44 N +ATOM 1923 N GLU A 266 41.893 14.003 33.803 1.00 41.10 N +ATOM 1924 CA GLU A 266 40.602 13.498 34.271 1.00 41.12 C +ATOM 1925 C GLU A 266 39.369 14.044 33.557 1.00 40.34 C +ATOM 1926 O GLU A 266 38.267 13.536 33.757 1.00 40.90 O +ATOM 1927 CB GLU A 266 40.447 13.766 35.770 1.00 42.44 C +ATOM 1928 CG GLU A 266 41.482 13.080 36.640 1.00 46.59 C +ATOM 1929 CD GLU A 266 41.445 11.570 36.509 1.00 49.09 C +ATOM 1930 OE1 GLU A 266 40.351 10.989 36.676 1.00 49.98 O +ATOM 1931 OE2 GLU A 266 42.510 10.965 36.244 1.00 49.73 O +ATOM 1932 N LEU A 267 39.544 15.074 32.735 1.00 39.48 N +ATOM 1933 CA LEU A 267 38.420 15.670 32.020 1.00 36.15 C +ATOM 1934 C LEU A 267 37.785 14.720 31.013 1.00 35.73 C +ATOM 1935 O LEU A 267 38.467 14.072 30.215 1.00 34.87 O +ATOM 1936 CB LEU A 267 38.856 16.953 31.309 1.00 35.77 C +ATOM 1937 CG LEU A 267 39.005 18.193 32.194 1.00 36.48 C +ATOM 1938 CD1 LEU A 267 39.685 19.299 31.416 1.00 38.42 C +ATOM 1939 CD2 LEU A 267 37.639 18.648 32.685 1.00 33.78 C +ATOM 1940 N THR A 268 36.463 14.644 31.074 1.00 33.65 N +ATOM 1941 CA THR A 268 35.683 13.800 30.179 1.00 31.31 C +ATOM 1942 C THR A 268 34.440 14.594 29.846 1.00 30.72 C +ATOM 1943 O THR A 268 34.107 15.559 30.546 1.00 30.63 O +ATOM 1944 CB THR A 268 35.220 12.488 30.859 1.00 27.94 C +ATOM 1945 OG1 THR A 268 34.317 12.802 31.928 1.00 27.26 O +ATOM 1946 CG2 THR A 268 36.417 11.705 31.413 1.00 25.56 C +ATOM 1947 N HIS A 269 33.757 14.181 28.784 1.00 30.16 N +ATOM 1948 CA HIS A 269 32.525 14.826 28.364 1.00 30.04 C +ATOM 1949 C HIS A 269 31.488 14.685 29.479 1.00 31.49 C +ATOM 1950 O HIS A 269 30.763 15.629 29.801 1.00 30.65 O +ATOM 1951 CB HIS A 269 32.017 14.173 27.077 1.00 30.71 C +ATOM 1952 CG HIS A 269 30.647 14.618 26.679 1.00 32.44 C +ATOM 1953 ND1 HIS A 269 30.376 15.899 26.249 1.00 31.07 N +ATOM 1954 CD2 HIS A 269 29.457 13.973 26.714 1.00 32.07 C +ATOM 1955 CE1 HIS A 269 29.079 16.026 26.039 1.00 33.02 C +ATOM 1956 NE2 HIS A 269 28.498 14.872 26.315 1.00 36.02 N +ATOM 1957 N ASP A 270 31.428 13.503 30.084 1.00 33.97 N +ATOM 1958 CA ASP A 270 30.471 13.262 31.159 1.00 34.83 C +ATOM 1959 C ASP A 270 30.713 14.208 32.340 1.00 33.04 C +ATOM 1960 O ASP A 270 29.775 14.807 32.867 1.00 32.24 O +ATOM 1961 CB ASP A 270 30.545 11.795 31.614 1.00 37.07 C +ATOM 1962 CG ASP A 270 29.406 11.412 32.555 1.00 40.17 C +ATOM 1963 OD1 ASP A 270 29.562 11.551 33.792 1.00 41.53 O +ATOM 1964 OD2 ASP A 270 28.341 10.977 32.052 1.00 42.55 O +ATOM 1965 N ILE A 271 31.968 14.361 32.749 1.00 33.31 N +ATOM 1966 CA ILE A 271 32.273 15.251 33.867 1.00 31.78 C +ATOM 1967 C ILE A 271 31.916 16.700 33.553 1.00 30.02 C +ATOM 1968 O ILE A 271 31.305 17.389 34.367 1.00 29.18 O +ATOM 1969 CB ILE A 271 33.757 15.160 34.261 1.00 35.11 C +ATOM 1970 CG1 ILE A 271 33.996 13.841 35.004 1.00 36.51 C +ATOM 1971 CG2 ILE A 271 34.149 16.349 35.132 1.00 35.65 C +ATOM 1972 CD1 ILE A 271 35.399 13.661 35.510 1.00 36.75 C +ATOM 1973 N ILE A 272 32.287 17.162 32.366 1.00 30.01 N +ATOM 1974 CA ILE A 272 31.978 18.528 31.979 1.00 30.15 C +ATOM 1975 C ILE A 272 30.460 18.711 31.929 1.00 31.53 C +ATOM 1976 O ILE A 272 29.927 19.704 32.440 1.00 32.48 O +ATOM 1977 CB ILE A 272 32.621 18.865 30.617 1.00 29.80 C +ATOM 1978 CG1 ILE A 272 34.142 18.918 30.785 1.00 30.31 C +ATOM 1979 CG2 ILE A 272 32.067 20.184 30.076 1.00 29.78 C +ATOM 1980 CD1 ILE A 272 34.912 19.271 29.522 1.00 30.71 C +ATOM 1981 N THR A 273 29.768 17.738 31.339 1.00 29.51 N +ATOM 1982 CA THR A 273 28.311 17.784 31.237 1.00 28.98 C +ATOM 1983 C THR A 273 27.678 17.863 32.624 1.00 29.09 C +ATOM 1984 O THR A 273 26.715 18.606 32.836 1.00 29.28 O +ATOM 1985 CB THR A 273 27.761 16.540 30.495 1.00 26.88 C +ATOM 1986 OG1 THR A 273 28.293 16.505 29.168 1.00 28.63 O +ATOM 1987 CG2 THR A 273 26.249 16.587 30.413 1.00 27.77 C +ATOM 1988 N LYS A 274 28.212 17.099 33.571 1.00 29.18 N +ATOM 1989 CA LYS A 274 27.675 17.132 34.926 1.00 29.59 C +ATOM 1990 C LYS A 274 27.625 18.571 35.441 1.00 29.75 C +ATOM 1991 O LYS A 274 26.650 18.982 36.074 1.00 31.16 O +ATOM 1992 CB LYS A 274 28.520 16.253 35.855 1.00 29.76 C +ATOM 1993 CG LYS A 274 28.318 16.513 37.353 1.00 37.36 C +ATOM 1994 CD LYS A 274 29.215 17.668 37.838 1.00 41.93 C +ATOM 1995 CE LYS A 274 29.192 17.842 39.349 1.00 44.70 C +ATOM 1996 NZ LYS A 274 27.845 18.219 39.860 1.00 49.31 N +ATOM 1997 N PHE A 275 28.668 19.347 35.164 1.00 29.83 N +ATOM 1998 CA PHE A 275 28.688 20.734 35.623 1.00 30.13 C +ATOM 1999 C PHE A 275 27.668 21.597 34.903 1.00 29.93 C +ATOM 2000 O PHE A 275 27.001 22.414 35.530 1.00 29.05 O +ATOM 2001 CB PHE A 275 30.092 21.327 35.471 1.00 28.22 C +ATOM 2002 CG PHE A 275 31.060 20.808 36.486 1.00 28.10 C +ATOM 2003 CD1 PHE A 275 30.883 21.100 37.837 1.00 29.10 C +ATOM 2004 CD2 PHE A 275 32.092 19.961 36.114 1.00 26.34 C +ATOM 2005 CE1 PHE A 275 31.718 20.543 38.799 1.00 28.18 C +ATOM 2006 CE2 PHE A 275 32.931 19.399 37.068 1.00 27.44 C +ATOM 2007 CZ PHE A 275 32.744 19.687 38.411 1.00 26.55 C +ATOM 2008 N LEU A 276 27.530 21.408 33.594 1.00 30.54 N +ATOM 2009 CA LEU A 276 26.573 22.196 32.826 1.00 31.83 C +ATOM 2010 C LEU A 276 25.124 21.922 33.229 1.00 33.64 C +ATOM 2011 O LEU A 276 24.250 22.756 32.997 1.00 33.72 O +ATOM 2012 CB LEU A 276 26.758 21.945 31.326 1.00 32.31 C +ATOM 2013 CG LEU A 276 28.031 22.536 30.703 1.00 35.39 C +ATOM 2014 CD1 LEU A 276 28.193 22.027 29.278 1.00 34.52 C +ATOM 2015 CD2 LEU A 276 27.956 24.070 30.729 1.00 34.64 C +ATOM 2016 N GLU A 277 24.881 20.770 33.851 1.00 35.43 N +ATOM 2017 CA GLU A 277 23.537 20.377 34.282 1.00 38.74 C +ATOM 2018 C GLU A 277 23.131 20.977 35.624 1.00 39.55 C +ATOM 2019 O GLU A 277 21.954 21.240 35.868 1.00 40.77 O +ATOM 2020 CB GLU A 277 23.443 18.853 34.392 1.00 38.69 C +ATOM 2021 CG GLU A 277 23.892 18.128 33.158 1.00 42.03 C +ATOM 2022 CD GLU A 277 24.046 16.645 33.383 1.00 43.24 C +ATOM 2023 OE1 GLU A 277 24.453 16.251 34.499 1.00 43.16 O +ATOM 2024 OE2 GLU A 277 23.778 15.873 32.435 1.00 46.43 O +ATOM 2025 N ASN A 278 24.105 21.169 36.503 1.00 41.18 N +ATOM 2026 CA ASN A 278 23.838 21.718 37.825 1.00 41.18 C +ATOM 2027 C ASN A 278 23.840 23.240 37.832 1.00 41.19 C +ATOM 2028 O ASN A 278 24.785 23.873 37.361 1.00 41.67 O +ATOM 2029 CB ASN A 278 24.868 21.174 38.812 1.00 43.79 C +ATOM 2030 CG ASN A 278 24.561 19.749 39.240 1.00 46.82 C +ATOM 2031 OD1 ASN A 278 23.784 19.529 40.169 1.00 48.46 O +ATOM 2032 ND2 ASN A 278 25.155 18.773 38.553 1.00 46.74 N +ATOM 2033 N GLU A 279 22.775 23.825 38.371 1.00 40.86 N +ATOM 2034 CA GLU A 279 22.653 25.277 38.426 1.00 42.51 C +ATOM 2035 C GLU A 279 22.713 25.878 39.831 1.00 41.97 C +ATOM 2036 O GLU A 279 22.593 27.094 39.987 1.00 41.29 O +ATOM 2037 CB GLU A 279 21.359 25.721 37.739 1.00 44.50 C +ATOM 2038 CG GLU A 279 21.338 25.437 36.249 1.00 49.74 C +ATOM 2039 CD GLU A 279 20.087 25.960 35.575 1.00 53.44 C +ATOM 2040 OE1 GLU A 279 18.980 25.493 35.918 1.00 54.50 O +ATOM 2041 OE2 GLU A 279 20.212 26.842 34.698 1.00 57.16 O +ATOM 2042 N ASP A 280 22.892 25.045 40.852 1.00 40.77 N +ATOM 2043 CA ASP A 280 22.973 25.569 42.208 1.00 41.36 C +ATOM 2044 C ASP A 280 24.154 26.530 42.324 1.00 40.71 C +ATOM 2045 O ASP A 280 25.211 26.315 41.730 1.00 39.76 O +ATOM 2046 CB ASP A 280 23.142 24.446 43.234 1.00 43.25 C +ATOM 2047 CG ASP A 280 21.885 23.614 43.407 1.00 46.66 C +ATOM 2048 OD1 ASP A 280 20.774 24.181 43.292 1.00 47.43 O +ATOM 2049 OD2 ASP A 280 22.010 22.398 43.677 1.00 46.95 O +ATOM 2050 N ARG A 281 23.968 27.590 43.097 1.00 39.45 N +ATOM 2051 CA ARG A 281 25.024 28.566 43.288 1.00 37.87 C +ATOM 2052 C ARG A 281 25.319 28.744 44.769 1.00 36.98 C +ATOM 2053 O ARG A 281 24.581 28.261 45.629 1.00 36.80 O +ATOM 2054 CB ARG A 281 24.619 29.893 42.642 1.00 37.12 C +ATOM 2055 CG ARG A 281 24.347 29.752 41.143 1.00 40.44 C +ATOM 2056 CD ARG A 281 24.121 31.091 40.474 1.00 42.69 C +ATOM 2057 NE ARG A 281 22.996 31.792 41.071 1.00 48.85 N +ATOM 2058 CZ ARG A 281 22.669 33.050 40.797 1.00 52.57 C +ATOM 2059 NH1 ARG A 281 23.387 33.748 39.925 1.00 53.10 N +ATOM 2060 NH2 ARG A 281 21.631 33.614 41.408 1.00 53.80 N +ATOM 2061 N ARG A 282 26.421 29.413 45.067 1.00 34.86 N +ATOM 2062 CA ARG A 282 26.791 29.654 46.447 1.00 33.91 C +ATOM 2063 C ARG A 282 27.533 30.979 46.497 1.00 32.05 C +ATOM 2064 O ARG A 282 28.044 31.452 45.485 1.00 30.52 O +ATOM 2065 CB ARG A 282 27.671 28.512 46.967 1.00 34.88 C +ATOM 2066 CG ARG A 282 28.994 28.381 46.249 1.00 39.74 C +ATOM 2067 CD ARG A 282 30.130 28.411 47.242 1.00 45.89 C +ATOM 2068 NE ARG A 282 30.574 27.071 47.617 1.00 50.59 N +ATOM 2069 CZ ARG A 282 31.116 26.771 48.793 1.00 51.87 C +ATOM 2070 NH1 ARG A 282 31.272 27.716 49.713 1.00 51.33 N +ATOM 2071 NH2 ARG A 282 31.514 25.531 49.044 1.00 53.52 N +ATOM 2072 N SER A 283 27.597 31.585 47.672 1.00 31.48 N +ATOM 2073 CA SER A 283 28.270 32.864 47.793 1.00 32.31 C +ATOM 2074 C SER A 283 29.770 32.718 47.622 1.00 30.32 C +ATOM 2075 O SER A 283 30.362 31.731 48.043 1.00 32.95 O +ATOM 2076 CB SER A 283 27.984 33.485 49.156 1.00 32.26 C +ATOM 2077 OG SER A 283 28.596 32.719 50.176 1.00 38.38 O +ATOM 2078 N ALA A 284 30.383 33.707 46.993 1.00 27.63 N +ATOM 2079 CA ALA A 284 31.816 33.688 46.809 1.00 27.83 C +ATOM 2080 C ALA A 284 32.295 35.054 46.369 1.00 28.71 C +ATOM 2081 O ALA A 284 31.564 35.821 45.739 1.00 27.71 O +ATOM 2082 CB ALA A 284 32.217 32.640 45.780 1.00 26.31 C +ATOM 2083 N SER A 285 33.529 35.359 46.737 1.00 28.55 N +ATOM 2084 CA SER A 285 34.145 36.605 46.349 1.00 29.61 C +ATOM 2085 C SER A 285 35.080 36.130 45.246 1.00 28.79 C +ATOM 2086 O SER A 285 36.161 35.605 45.514 1.00 29.38 O +ATOM 2087 CB SER A 285 34.923 37.197 47.525 1.00 31.31 C +ATOM 2088 OG SER A 285 35.510 38.432 47.165 1.00 41.49 O +ATOM 2089 N LEU A 286 34.641 36.284 44.003 1.00 28.00 N +ATOM 2090 CA LEU A 286 35.415 35.832 42.854 1.00 26.25 C +ATOM 2091 C LEU A 286 36.403 36.851 42.305 1.00 27.20 C +ATOM 2092 O LEU A 286 36.111 38.042 42.202 1.00 26.72 O +ATOM 2093 CB LEU A 286 34.473 35.410 41.720 1.00 25.89 C +ATOM 2094 CG LEU A 286 35.118 35.097 40.363 1.00 23.94 C +ATOM 2095 CD1 LEU A 286 35.840 33.765 40.445 1.00 23.72 C +ATOM 2096 CD2 LEU A 286 34.053 35.046 39.274 1.00 22.96 C +ATOM 2097 N HIS A 287 37.584 36.354 41.962 1.00 27.15 N +ATOM 2098 CA HIS A 287 38.629 37.160 41.369 1.00 25.84 C +ATOM 2099 C HIS A 287 38.963 36.415 40.080 1.00 27.13 C +ATOM 2100 O HIS A 287 39.450 35.280 40.113 1.00 25.56 O +ATOM 2101 CB HIS A 287 39.854 37.235 42.277 1.00 27.05 C +ATOM 2102 CG HIS A 287 39.617 37.981 43.553 1.00 31.81 C +ATOM 2103 ND1 HIS A 287 40.574 38.785 44.132 1.00 34.58 N +ATOM 2104 CD2 HIS A 287 38.544 38.020 44.381 1.00 33.86 C +ATOM 2105 CE1 HIS A 287 40.102 39.291 45.258 1.00 34.09 C +ATOM 2106 NE2 HIS A 287 38.873 38.842 45.433 1.00 33.16 N +ATOM 2107 N LEU A 288 38.662 37.047 38.950 1.00 26.58 N +ATOM 2108 CA LEU A 288 38.897 36.452 37.644 1.00 28.13 C +ATOM 2109 C LEU A 288 39.735 37.429 36.821 1.00 29.28 C +ATOM 2110 O LEU A 288 39.412 38.610 36.728 1.00 30.58 O +ATOM 2111 CB LEU A 288 37.551 36.186 36.960 1.00 25.04 C +ATOM 2112 CG LEU A 288 37.490 35.288 35.720 1.00 28.53 C +ATOM 2113 CD1 LEU A 288 37.896 33.852 36.082 1.00 26.76 C +ATOM 2114 CD2 LEU A 288 36.062 35.313 35.160 1.00 25.94 C +ATOM 2115 N PRO A 289 40.835 36.954 36.227 1.00 29.97 N +ATOM 2116 CA PRO A 289 41.646 37.885 35.439 1.00 29.66 C +ATOM 2117 C PRO A 289 41.025 38.311 34.114 1.00 32.16 C +ATOM 2118 O PRO A 289 40.352 37.538 33.427 1.00 30.64 O +ATOM 2119 CB PRO A 289 42.946 37.120 35.231 1.00 29.50 C +ATOM 2120 CG PRO A 289 42.471 35.678 35.172 1.00 30.61 C +ATOM 2121 CD PRO A 289 41.471 35.623 36.307 1.00 28.77 C +ATOM 2122 N LYS A 290 41.270 39.563 33.772 1.00 32.46 N +ATOM 2123 CA LYS A 290 40.810 40.149 32.535 1.00 34.43 C +ATOM 2124 C LYS A 290 41.824 39.593 31.525 1.00 35.92 C +ATOM 2125 O LYS A 290 42.991 39.387 31.876 1.00 35.75 O +ATOM 2126 CB LYS A 290 40.935 41.663 32.678 1.00 37.27 C +ATOM 2127 CG LYS A 290 40.273 42.512 31.637 1.00 43.27 C +ATOM 2128 CD LYS A 290 40.520 43.979 31.975 1.00 45.35 C +ATOM 2129 CE LYS A 290 40.075 44.899 30.858 1.00 46.36 C +ATOM 2130 NZ LYS A 290 40.496 46.295 31.139 1.00 50.07 N +ATOM 2131 N LEU A 291 41.412 39.298 30.296 1.00 35.25 N +ATOM 2132 CA LEU A 291 42.405 38.809 29.352 1.00 37.98 C +ATOM 2133 C LEU A 291 42.115 38.896 27.860 1.00 37.06 C +ATOM 2134 O LEU A 291 40.967 38.864 27.411 1.00 37.81 O +ATOM 2135 CB LEU A 291 42.838 37.381 29.722 1.00 41.75 C +ATOM 2136 CG LEU A 291 41.944 36.145 29.664 1.00 41.38 C +ATOM 2137 CD1 LEU A 291 42.663 35.037 30.411 1.00 42.52 C +ATOM 2138 CD2 LEU A 291 40.607 36.402 30.310 1.00 46.08 C +ATOM 2139 N SER A 292 43.202 39.038 27.111 1.00 35.92 N +ATOM 2140 CA SER A 292 43.186 39.135 25.659 1.00 36.60 C +ATOM 2141 C SER A 292 44.203 38.097 25.244 1.00 35.25 C +ATOM 2142 O SER A 292 45.401 38.352 25.279 1.00 34.32 O +ATOM 2143 CB SER A 292 43.665 40.519 25.191 1.00 37.52 C +ATOM 2144 OG SER A 292 42.944 41.571 25.814 1.00 42.21 O +ATOM 2145 N ILE A 293 43.732 36.922 24.860 1.00 35.21 N +ATOM 2146 CA ILE A 293 44.647 35.865 24.477 1.00 33.28 C +ATOM 2147 C ILE A 293 44.425 35.375 23.055 1.00 32.67 C +ATOM 2148 O ILE A 293 43.355 35.552 22.483 1.00 32.91 O +ATOM 2149 CB ILE A 293 44.516 34.697 25.450 1.00 33.68 C +ATOM 2150 CG1 ILE A 293 43.070 34.203 25.470 1.00 31.50 C +ATOM 2151 CG2 ILE A 293 44.924 35.154 26.848 1.00 35.43 C +ATOM 2152 CD1 ILE A 293 42.865 32.953 26.298 1.00 35.01 C +ATOM 2153 N THR A 294 45.450 34.757 22.485 1.00 31.94 N +ATOM 2154 CA THR A 294 45.348 34.253 21.130 1.00 32.61 C +ATOM 2155 C THR A 294 46.038 32.906 21.030 1.00 32.29 C +ATOM 2156 O THR A 294 46.781 32.501 21.932 1.00 31.14 O +ATOM 2157 CB THR A 294 46.013 35.216 20.116 1.00 34.41 C +ATOM 2158 OG1 THR A 294 47.434 35.173 20.278 1.00 39.49 O +ATOM 2159 CG2 THR A 294 45.539 36.651 20.339 1.00 35.08 C +ATOM 2160 N GLY A 295 45.775 32.221 19.923 1.00 31.45 N +ATOM 2161 CA GLY A 295 46.369 30.925 19.664 1.00 30.78 C +ATOM 2162 C GLY A 295 46.536 30.808 18.163 1.00 32.73 C +ATOM 2163 O GLY A 295 45.611 31.129 17.405 1.00 33.27 O +ATOM 2164 N THR A 296 47.713 30.369 17.730 1.00 31.44 N +ATOM 2165 CA THR A 296 48.005 30.216 16.312 1.00 34.39 C +ATOM 2166 C THR A 296 48.655 28.859 16.139 1.00 35.45 C +ATOM 2167 O THR A 296 49.635 28.556 16.815 1.00 36.48 O +ATOM 2168 CB THR A 296 48.995 31.290 15.817 1.00 34.79 C +ATOM 2169 OG1 THR A 296 48.410 32.589 15.966 1.00 35.43 O +ATOM 2170 CG2 THR A 296 49.339 31.055 14.356 1.00 35.38 C +ATOM 2171 N TYR A 297 48.134 28.043 15.230 1.00 35.42 N +ATOM 2172 CA TYR A 297 48.709 26.718 15.059 1.00 35.17 C +ATOM 2173 C TYR A 297 48.878 26.244 13.629 1.00 35.10 C +ATOM 2174 O TYR A 297 48.121 26.622 12.738 1.00 35.09 O +ATOM 2175 CB TYR A 297 47.863 25.694 15.820 1.00 33.49 C +ATOM 2176 CG TYR A 297 47.678 26.013 17.287 1.00 29.74 C +ATOM 2177 CD1 TYR A 297 48.534 25.483 18.253 1.00 27.65 C +ATOM 2178 CD2 TYR A 297 46.652 26.862 17.707 1.00 28.97 C +ATOM 2179 CE1 TYR A 297 48.374 25.790 19.605 1.00 26.98 C +ATOM 2180 CE2 TYR A 297 46.483 27.178 19.052 1.00 28.19 C +ATOM 2181 CZ TYR A 297 47.345 26.641 19.993 1.00 27.74 C +ATOM 2182 OH TYR A 297 47.176 26.966 21.319 1.00 29.91 O +ATOM 2183 N ASP A 298 49.895 25.411 13.434 1.00 36.31 N +ATOM 2184 CA ASP A 298 50.181 24.802 12.141 1.00 38.80 C +ATOM 2185 C ASP A 298 49.386 23.500 12.188 1.00 39.22 C +ATOM 2186 O ASP A 298 49.837 22.511 12.769 1.00 41.21 O +ATOM 2187 CB ASP A 298 51.674 24.490 12.017 1.00 40.04 C +ATOM 2188 CG ASP A 298 52.010 23.726 10.749 1.00 42.42 C +ATOM 2189 OD1 ASP A 298 51.102 23.088 10.169 1.00 43.53 O +ATOM 2190 OD2 ASP A 298 53.188 23.748 10.338 1.00 43.51 O +ATOM 2191 N LEU A 299 48.202 23.504 11.587 1.00 39.40 N +ATOM 2192 CA LEU A 299 47.339 22.329 11.602 1.00 38.12 C +ATOM 2193 C LEU A 299 47.930 21.079 10.963 1.00 38.71 C +ATOM 2194 O LEU A 299 47.535 19.966 11.301 1.00 40.80 O +ATOM 2195 CB LEU A 299 45.996 22.670 10.956 1.00 37.41 C +ATOM 2196 CG LEU A 299 45.229 23.779 11.690 1.00 35.36 C +ATOM 2197 CD1 LEU A 299 43.919 24.068 10.983 1.00 36.46 C +ATOM 2198 CD2 LEU A 299 44.978 23.361 13.124 1.00 36.49 C +ATOM 2199 N LYS A 300 48.870 21.253 10.042 1.00 38.89 N +ATOM 2200 CA LYS A 300 49.501 20.112 9.387 1.00 40.19 C +ATOM 2201 C LYS A 300 50.316 19.345 10.424 1.00 41.19 C +ATOM 2202 O LYS A 300 50.302 18.111 10.471 1.00 40.84 O +ATOM 2203 CB LYS A 300 50.402 20.600 8.250 1.00 40.66 C +ATOM 2204 CG LYS A 300 51.261 19.537 7.582 1.00 41.68 C +ATOM 2205 CD LYS A 300 51.940 20.136 6.350 1.00 45.84 C +ATOM 2206 CE LYS A 300 53.201 19.384 5.944 1.00 47.33 C +ATOM 2207 NZ LYS A 300 52.940 17.999 5.481 1.00 50.77 N +ATOM 2208 N SER A 301 51.013 20.092 11.269 1.00 40.81 N +ATOM 2209 CA SER A 301 51.824 19.501 12.320 1.00 40.85 C +ATOM 2210 C SER A 301 50.962 18.908 13.441 1.00 40.75 C +ATOM 2211 O SER A 301 51.228 17.805 13.928 1.00 38.80 O +ATOM 2212 CB SER A 301 52.753 20.560 12.905 1.00 40.40 C +ATOM 2213 OG SER A 301 53.356 20.087 14.095 1.00 47.62 O +ATOM 2214 N VAL A 302 49.928 19.645 13.839 1.00 39.24 N +ATOM 2215 CA VAL A 302 49.043 19.211 14.915 1.00 39.54 C +ATOM 2216 C VAL A 302 48.097 18.079 14.517 1.00 40.05 C +ATOM 2217 O VAL A 302 48.052 17.042 15.178 1.00 40.89 O +ATOM 2218 CB VAL A 302 48.212 20.403 15.453 1.00 39.30 C +ATOM 2219 CG1 VAL A 302 47.203 19.925 16.483 1.00 37.59 C +ATOM 2220 CG2 VAL A 302 49.145 21.441 16.072 1.00 39.54 C +ATOM 2221 N LEU A 303 47.335 18.278 13.449 1.00 38.65 N +ATOM 2222 CA LEU A 303 46.402 17.252 13.006 1.00 40.16 C +ATOM 2223 C LEU A 303 47.160 15.992 12.581 1.00 40.98 C +ATOM 2224 O LEU A 303 46.655 14.876 12.715 1.00 39.42 O +ATOM 2225 CB LEU A 303 45.549 17.793 11.856 1.00 39.23 C +ATOM 2226 CG LEU A 303 44.757 19.041 12.262 1.00 39.84 C +ATOM 2227 CD1 LEU A 303 44.056 19.644 11.067 1.00 39.50 C +ATOM 2228 CD2 LEU A 303 43.755 18.669 13.335 1.00 39.28 C +ATOM 2229 N GLY A 304 48.380 16.183 12.088 1.00 42.20 N +ATOM 2230 CA GLY A 304 49.195 15.059 11.665 1.00 43.90 C +ATOM 2231 C GLY A 304 49.463 14.106 12.813 1.00 45.73 C +ATOM 2232 O GLY A 304 49.496 12.891 12.627 1.00 47.68 O +ATOM 2233 N GLN A 305 49.653 14.651 14.009 1.00 46.64 N +ATOM 2234 CA GLN A 305 49.905 13.820 15.181 1.00 47.61 C +ATOM 2235 C GLN A 305 48.617 13.132 15.627 1.00 47.19 C +ATOM 2236 O GLN A 305 48.654 12.183 16.416 1.00 46.86 O +ATOM 2237 CB GLN A 305 50.438 14.667 16.333 1.00 49.15 C +ATOM 2238 CG GLN A 305 51.613 15.534 15.973 1.00 52.07 C +ATOM 2239 CD GLN A 305 52.166 16.266 17.173 1.00 55.71 C +ATOM 2240 OE1 GLN A 305 53.009 17.155 17.040 1.00 58.33 O +ATOM 2241 NE2 GLN A 305 51.700 15.890 18.361 1.00 57.67 N +ATOM 2242 N LEU A 306 47.484 13.625 15.132 1.00 44.82 N +ATOM 2243 CA LEU A 306 46.188 13.055 15.481 1.00 44.82 C +ATOM 2244 C LEU A 306 45.744 12.027 14.446 1.00 45.36 C +ATOM 2245 O LEU A 306 44.595 11.583 14.454 1.00 43.60 O +ATOM 2246 CB LEU A 306 45.128 14.156 15.594 1.00 42.99 C +ATOM 2247 CG LEU A 306 45.310 15.204 16.694 1.00 40.67 C +ATOM 2248 CD1 LEU A 306 44.128 16.160 16.682 1.00 39.00 C +ATOM 2249 CD2 LEU A 306 45.422 14.522 18.043 1.00 37.87 C +ATOM 2250 N GLY A 307 46.658 11.665 13.549 1.00 46.47 N +ATOM 2251 CA GLY A 307 46.341 10.681 12.529 1.00 46.86 C +ATOM 2252 C GLY A 307 45.960 11.200 11.154 1.00 46.83 C +ATOM 2253 O GLY A 307 45.894 10.416 10.203 1.00 48.11 O +ATOM 2254 N ILE A 308 45.694 12.498 11.030 1.00 46.35 N +ATOM 2255 CA ILE A 308 45.328 13.067 9.732 1.00 45.27 C +ATOM 2256 C ILE A 308 46.596 13.484 8.993 1.00 46.35 C +ATOM 2257 O ILE A 308 47.060 14.615 9.141 1.00 45.82 O +ATOM 2258 CB ILE A 308 44.427 14.303 9.893 1.00 45.21 C +ATOM 2259 CG1 ILE A 308 43.202 13.951 10.741 1.00 44.97 C +ATOM 2260 CG2 ILE A 308 43.981 14.798 8.524 1.00 44.90 C +ATOM 2261 CD1 ILE A 308 42.274 15.130 11.018 1.00 43.57 C +ATOM 2262 N THR A 309 47.153 12.573 8.198 1.00 46.76 N +ATOM 2263 CA THR A 309 48.383 12.863 7.464 1.00 47.71 C +ATOM 2264 C THR A 309 48.305 12.742 5.941 1.00 47.02 C +ATOM 2265 O THR A 309 49.038 13.429 5.229 1.00 47.28 O +ATOM 2266 CB THR A 309 49.539 11.960 7.951 1.00 48.46 C +ATOM 2267 OG1 THR A 309 49.193 10.585 7.746 1.00 50.19 O +ATOM 2268 CG2 THR A 309 49.812 12.195 9.427 1.00 48.20 C +ATOM 2269 N LYS A 310 47.427 11.880 5.438 1.00 47.07 N +ATOM 2270 CA LYS A 310 47.307 11.686 3.994 1.00 48.20 C +ATOM 2271 C LYS A 310 46.912 12.920 3.184 1.00 47.34 C +ATOM 2272 O LYS A 310 47.481 13.165 2.122 1.00 47.05 O +ATOM 2273 CB LYS A 310 46.337 10.539 3.687 1.00 50.97 C +ATOM 2274 CG LYS A 310 46.918 9.167 3.984 1.00 55.41 C +ATOM 2275 CD LYS A 310 46.012 8.038 3.512 1.00 58.46 C +ATOM 2276 CE LYS A 310 46.682 6.686 3.735 1.00 59.53 C +ATOM 2277 NZ LYS A 310 45.839 5.545 3.283 1.00 61.66 N +ATOM 2278 N VAL A 311 45.949 13.696 3.669 1.00 45.96 N +ATOM 2279 CA VAL A 311 45.528 14.888 2.943 1.00 45.66 C +ATOM 2280 C VAL A 311 46.674 15.893 2.808 1.00 46.46 C +ATOM 2281 O VAL A 311 46.588 16.836 2.023 1.00 46.86 O +ATOM 2282 CB VAL A 311 44.329 15.576 3.636 1.00 45.79 C +ATOM 2283 CG1 VAL A 311 44.744 16.102 5.006 1.00 44.13 C +ATOM 2284 CG2 VAL A 311 43.801 16.706 2.759 1.00 44.10 C +ATOM 2285 N PHE A 312 47.743 15.684 3.576 1.00 46.57 N +ATOM 2286 CA PHE A 312 48.919 16.560 3.549 1.00 48.57 C +ATOM 2287 C PHE A 312 50.089 15.906 2.798 1.00 50.50 C +ATOM 2288 O PHE A 312 51.145 16.519 2.628 1.00 49.61 O +ATOM 2289 CB PHE A 312 49.400 16.873 4.976 1.00 45.83 C +ATOM 2290 CG PHE A 312 48.414 17.641 5.816 1.00 43.88 C +ATOM 2291 CD1 PHE A 312 48.121 18.971 5.534 1.00 42.80 C +ATOM 2292 CD2 PHE A 312 47.809 17.043 6.918 1.00 42.97 C +ATOM 2293 CE1 PHE A 312 47.242 19.696 6.343 1.00 42.92 C +ATOM 2294 CE2 PHE A 312 46.929 17.758 7.732 1.00 41.72 C +ATOM 2295 CZ PHE A 312 46.647 19.088 7.444 1.00 41.50 C +ATOM 2296 N SER A 313 49.901 14.663 2.359 1.00 53.15 N +ATOM 2297 CA SER A 313 50.955 13.918 1.669 1.00 56.23 C +ATOM 2298 C SER A 313 50.874 13.967 0.150 1.00 57.07 C +ATOM 2299 O SER A 313 49.874 14.403 -0.422 1.00 56.95 O +ATOM 2300 CB SER A 313 50.929 12.448 2.104 1.00 58.47 C +ATOM 2301 OG SER A 313 49.822 11.767 1.523 1.00 61.13 O +ATOM 2302 N ASN A 314 51.937 13.493 -0.495 1.00 57.95 N +ATOM 2303 CA ASN A 314 52.004 13.458 -1.949 1.00 60.13 C +ATOM 2304 C ASN A 314 50.958 12.514 -2.535 1.00 60.87 C +ATOM 2305 O ASN A 314 50.501 12.705 -3.664 1.00 62.42 O +ATOM 2306 CB ASN A 314 53.400 13.030 -2.404 1.00 60.55 C +ATOM 2307 CG ASN A 314 54.460 14.065 -2.076 1.00 62.44 C +ATOM 2308 OD1 ASN A 314 54.325 15.242 -2.427 1.00 62.99 O +ATOM 2309 ND2 ASN A 314 55.523 13.635 -1.402 1.00 61.80 N +ATOM 2310 N GLY A 315 50.576 11.499 -1.766 1.00 60.57 N +ATOM 2311 CA GLY A 315 49.580 10.556 -2.242 1.00 59.86 C +ATOM 2312 C GLY A 315 48.175 10.947 -1.823 1.00 59.57 C +ATOM 2313 O GLY A 315 47.297 10.092 -1.703 1.00 60.44 O +ATOM 2314 N ALA A 316 47.961 12.241 -1.606 1.00 58.35 N +ATOM 2315 CA ALA A 316 46.659 12.753 -1.188 1.00 57.10 C +ATOM 2316 C ALA A 316 45.623 12.692 -2.300 1.00 56.49 C +ATOM 2317 O ALA A 316 45.910 13.026 -3.450 1.00 56.42 O +ATOM 2318 CB ALA A 316 46.798 14.193 -0.697 1.00 56.15 C +ATOM 2319 N ASP A 317 44.413 12.269 -1.951 1.00 55.45 N +ATOM 2320 CA ASP A 317 43.339 12.194 -2.930 1.00 54.38 C +ATOM 2321 C ASP A 317 42.367 13.344 -2.716 1.00 52.80 C +ATOM 2322 O ASP A 317 41.483 13.276 -1.861 1.00 53.59 O +ATOM 2323 CB ASP A 317 42.577 10.873 -2.818 1.00 55.65 C +ATOM 2324 CG ASP A 317 41.623 10.656 -3.983 1.00 56.87 C +ATOM 2325 OD1 ASP A 317 41.029 11.646 -4.465 1.00 57.30 O +ATOM 2326 OD2 ASP A 317 41.459 9.496 -4.414 1.00 58.43 O +ATOM 2327 N LEU A 318 42.543 14.403 -3.494 1.00 50.83 N +ATOM 2328 CA LEU A 318 41.675 15.566 -3.414 1.00 48.32 C +ATOM 2329 C LEU A 318 41.035 15.782 -4.773 1.00 46.98 C +ATOM 2330 O LEU A 318 40.817 16.913 -5.197 1.00 45.03 O +ATOM 2331 CB LEU A 318 42.476 16.803 -2.998 1.00 46.64 C +ATOM 2332 CG LEU A 318 42.900 16.835 -1.527 1.00 45.32 C +ATOM 2333 CD1 LEU A 318 43.748 18.068 -1.248 1.00 43.97 C +ATOM 2334 CD2 LEU A 318 41.657 16.829 -0.649 1.00 44.40 C +ATOM 2335 N SER A 319 40.737 14.674 -5.447 1.00 47.18 N +ATOM 2336 CA SER A 319 40.123 14.706 -6.766 1.00 47.73 C +ATOM 2337 C SER A 319 38.746 15.353 -6.702 1.00 48.05 C +ATOM 2338 O SER A 319 38.158 15.702 -7.732 1.00 48.70 O +ATOM 2339 CB SER A 319 40.014 13.287 -7.333 1.00 48.20 C +ATOM 2340 OG SER A 319 39.241 12.451 -6.488 1.00 49.65 O +ATOM 2341 N GLY A 320 38.235 15.510 -5.486 1.00 47.40 N +ATOM 2342 CA GLY A 320 36.938 16.133 -5.304 1.00 46.81 C +ATOM 2343 C GLY A 320 37.063 17.640 -5.426 1.00 47.62 C +ATOM 2344 O GLY A 320 36.068 18.347 -5.601 1.00 47.28 O +ATOM 2345 N VAL A 321 38.295 18.131 -5.326 1.00 48.52 N +ATOM 2346 CA VAL A 321 38.567 19.559 -5.429 1.00 52.29 C +ATOM 2347 C VAL A 321 38.972 19.874 -6.868 1.00 54.89 C +ATOM 2348 O VAL A 321 38.585 20.905 -7.428 1.00 54.52 O +ATOM 2349 CB VAL A 321 39.712 19.983 -4.478 1.00 51.60 C +ATOM 2350 CG1 VAL A 321 39.860 21.495 -4.480 1.00 51.48 C +ATOM 2351 CG2 VAL A 321 39.433 19.487 -3.068 1.00 52.59 C +ATOM 2352 N THR A 322 39.752 18.970 -7.456 1.00 57.52 N +ATOM 2353 CA THR A 322 40.223 19.114 -8.829 1.00 60.22 C +ATOM 2354 C THR A 322 40.505 17.741 -9.428 1.00 62.27 C +ATOM 2355 O THR A 322 40.919 16.823 -8.724 1.00 62.36 O +ATOM 2356 CB THR A 322 41.522 19.950 -8.905 1.00 60.21 C +ATOM 2357 OG1 THR A 322 41.906 20.109 -10.276 1.00 61.84 O +ATOM 2358 CG2 THR A 322 42.654 19.255 -8.162 1.00 59.89 C +ATOM 2359 N GLU A 323 40.279 17.609 -10.731 1.00 65.15 N +ATOM 2360 CA GLU A 323 40.516 16.350 -11.429 1.00 67.62 C +ATOM 2361 C GLU A 323 41.632 16.549 -12.447 1.00 68.66 C +ATOM 2362 O GLU A 323 42.152 15.588 -13.011 1.00 68.83 O +ATOM 2363 CB GLU A 323 39.242 15.898 -12.145 1.00 69.06 C +ATOM 2364 CG GLU A 323 38.035 15.761 -11.229 1.00 72.42 C +ATOM 2365 CD GLU A 323 36.747 15.500 -11.991 1.00 75.32 C +ATOM 2366 OE1 GLU A 323 36.690 14.503 -12.744 1.00 77.08 O +ATOM 2367 OE2 GLU A 323 35.791 16.290 -11.835 1.00 75.99 O +ATOM 2368 N GLU A 324 41.996 17.810 -12.666 1.00 70.00 N +ATOM 2369 CA GLU A 324 43.042 18.172 -13.618 1.00 71.40 C +ATOM 2370 C GLU A 324 44.381 17.514 -13.308 1.00 71.43 C +ATOM 2371 O GLU A 324 44.981 16.868 -14.169 1.00 72.08 O +ATOM 2372 CB GLU A 324 43.227 19.690 -13.640 1.00 72.60 C +ATOM 2373 CG GLU A 324 44.379 20.163 -14.512 1.00 74.81 C +ATOM 2374 CD GLU A 324 44.629 21.654 -14.385 1.00 75.99 C +ATOM 2375 OE1 GLU A 324 43.690 22.435 -14.651 1.00 75.99 O +ATOM 2376 OE2 GLU A 324 45.762 22.042 -14.020 1.00 76.41 O +ATOM 2377 N ALA A 325 44.852 17.688 -12.079 1.00 70.68 N +ATOM 2378 CA ALA A 325 46.128 17.112 -11.677 1.00 69.67 C +ATOM 2379 C ALA A 325 46.153 16.811 -10.182 1.00 68.55 C +ATOM 2380 O ALA A 325 45.265 17.237 -9.442 1.00 68.20 O +ATOM 2381 CB ALA A 325 47.257 18.072 -12.039 1.00 70.55 C +ATOM 2382 N PRO A 326 47.169 16.058 -9.720 1.00 67.72 N +ATOM 2383 CA PRO A 326 47.298 15.711 -8.302 1.00 66.05 C +ATOM 2384 C PRO A 326 47.185 16.946 -7.407 1.00 63.75 C +ATOM 2385 O PRO A 326 47.409 18.075 -7.854 1.00 64.00 O +ATOM 2386 CB PRO A 326 48.678 15.067 -8.236 1.00 66.65 C +ATOM 2387 CG PRO A 326 48.749 14.351 -9.548 1.00 67.50 C +ATOM 2388 CD PRO A 326 48.228 15.401 -10.510 1.00 68.12 C +ATOM 2389 N LEU A 327 46.841 16.730 -6.145 1.00 60.03 N +ATOM 2390 CA LEU A 327 46.690 17.839 -5.219 1.00 56.89 C +ATOM 2391 C LEU A 327 46.714 17.388 -3.767 1.00 56.00 C +ATOM 2392 O LEU A 327 46.150 16.351 -3.409 1.00 55.72 O +ATOM 2393 CB LEU A 327 45.377 18.575 -5.502 1.00 54.10 C +ATOM 2394 CG LEU A 327 44.991 19.705 -4.549 1.00 51.60 C +ATOM 2395 CD1 LEU A 327 45.990 20.832 -4.667 1.00 51.27 C +ATOM 2396 CD2 LEU A 327 43.595 20.198 -4.876 1.00 50.70 C +ATOM 2397 N LYS A 328 47.376 18.180 -2.936 1.00 54.80 N +ATOM 2398 CA LYS A 328 47.463 17.892 -1.514 1.00 53.78 C +ATOM 2399 C LYS A 328 47.419 19.223 -0.775 1.00 51.51 C +ATOM 2400 O LYS A 328 47.720 20.263 -1.357 1.00 51.30 O +ATOM 2401 CB LYS A 328 48.770 17.163 -1.192 1.00 54.97 C +ATOM 2402 CG LYS A 328 50.013 18.026 -1.292 1.00 54.74 C +ATOM 2403 CD LYS A 328 51.230 17.285 -0.767 1.00 55.51 C +ATOM 2404 CE LYS A 328 52.467 18.172 -0.787 1.00 56.75 C +ATOM 2405 NZ LYS A 328 53.671 17.458 -0.278 1.00 57.65 N +ATOM 2406 N LEU A 329 47.030 19.196 0.495 1.00 49.38 N +ATOM 2407 CA LEU A 329 46.978 20.421 1.278 1.00 47.65 C +ATOM 2408 C LEU A 329 48.414 20.764 1.658 1.00 46.17 C +ATOM 2409 O LEU A 329 49.080 20.000 2.362 1.00 45.72 O +ATOM 2410 CB LEU A 329 46.115 20.221 2.527 1.00 47.67 C +ATOM 2411 CG LEU A 329 45.768 21.470 3.351 1.00 48.79 C +ATOM 2412 CD1 LEU A 329 45.121 22.531 2.467 1.00 46.46 C +ATOM 2413 CD2 LEU A 329 44.826 21.080 4.485 1.00 46.08 C +ATOM 2414 N SER A 330 48.892 21.906 1.174 1.00 43.69 N +ATOM 2415 CA SER A 330 50.261 22.343 1.434 1.00 44.89 C +ATOM 2416 C SER A 330 50.423 23.099 2.752 1.00 43.02 C +ATOM 2417 O SER A 330 51.427 22.951 3.444 1.00 42.29 O +ATOM 2418 CB SER A 330 50.754 23.238 0.285 1.00 46.77 C +ATOM 2419 OG SER A 330 50.644 22.593 -0.979 1.00 52.20 O +ATOM 2420 N LYS A 331 49.427 23.908 3.086 1.00 42.94 N +ATOM 2421 CA LYS A 331 49.458 24.723 4.294 1.00 42.45 C +ATOM 2422 C LYS A 331 48.086 24.784 4.964 1.00 40.58 C +ATOM 2423 O LYS A 331 47.062 24.857 4.286 1.00 40.39 O +ATOM 2424 CB LYS A 331 49.909 26.140 3.923 1.00 43.66 C +ATOM 2425 CG LYS A 331 49.661 27.197 4.984 1.00 45.72 C +ATOM 2426 CD LYS A 331 50.799 27.277 5.969 1.00 49.59 C +ATOM 2427 CE LYS A 331 52.036 27.873 5.332 1.00 50.82 C +ATOM 2428 NZ LYS A 331 53.139 28.032 6.324 1.00 53.32 N +ATOM 2429 N ALA A 332 48.074 24.753 6.293 1.00 38.15 N +ATOM 2430 CA ALA A 332 46.831 24.834 7.055 1.00 37.19 C +ATOM 2431 C ALA A 332 47.118 25.515 8.389 1.00 36.08 C +ATOM 2432 O ALA A 332 47.902 25.013 9.195 1.00 35.26 O +ATOM 2433 CB ALA A 332 46.255 23.438 7.286 1.00 36.79 C +ATOM 2434 N VAL A 333 46.481 26.656 8.629 1.00 35.19 N +ATOM 2435 CA VAL A 333 46.715 27.376 9.874 1.00 35.55 C +ATOM 2436 C VAL A 333 45.432 27.799 10.582 1.00 34.43 C +ATOM 2437 O VAL A 333 44.469 28.227 9.946 1.00 35.06 O +ATOM 2438 CB VAL A 333 47.568 28.652 9.636 1.00 35.14 C +ATOM 2439 CG1 VAL A 333 48.796 28.315 8.799 1.00 34.06 C +ATOM 2440 CG2 VAL A 333 46.726 29.721 8.951 1.00 35.25 C +ATOM 2441 N HIS A 334 45.433 27.678 11.904 1.00 32.14 N +ATOM 2442 CA HIS A 334 44.289 28.076 12.712 1.00 32.90 C +ATOM 2443 C HIS A 334 44.719 29.222 13.613 1.00 32.38 C +ATOM 2444 O HIS A 334 45.822 29.208 14.161 1.00 30.96 O +ATOM 2445 CB HIS A 334 43.801 26.919 13.587 1.00 31.38 C +ATOM 2446 CG HIS A 334 42.794 27.330 14.617 1.00 30.88 C +ATOM 2447 ND1 HIS A 334 41.562 27.850 14.286 1.00 30.99 N +ATOM 2448 CD2 HIS A 334 42.841 27.307 15.971 1.00 31.26 C +ATOM 2449 CE1 HIS A 334 40.891 28.128 15.390 1.00 29.80 C +ATOM 2450 NE2 HIS A 334 41.645 27.807 16.427 1.00 31.38 N +ATOM 2451 N LYS A 335 43.843 30.208 13.757 1.00 32.25 N +ATOM 2452 CA LYS A 335 44.108 31.365 14.600 1.00 33.74 C +ATOM 2453 C LYS A 335 42.862 31.648 15.433 1.00 32.43 C +ATOM 2454 O LYS A 335 41.780 31.872 14.887 1.00 30.43 O +ATOM 2455 CB LYS A 335 44.440 32.579 13.733 1.00 37.53 C +ATOM 2456 CG LYS A 335 44.540 33.905 14.477 1.00 40.49 C +ATOM 2457 CD LYS A 335 45.926 34.130 15.040 1.00 45.75 C +ATOM 2458 CE LYS A 335 46.132 35.598 15.387 1.00 46.84 C +ATOM 2459 NZ LYS A 335 47.531 35.874 15.814 1.00 50.87 N +ATOM 2460 N ALA A 336 43.018 31.630 16.755 1.00 31.63 N +ATOM 2461 CA ALA A 336 41.896 31.893 17.655 1.00 31.96 C +ATOM 2462 C ALA A 336 42.180 33.121 18.507 1.00 29.31 C +ATOM 2463 O ALA A 336 43.309 33.338 18.934 1.00 29.39 O +ATOM 2464 CB ALA A 336 41.647 30.686 18.553 1.00 30.09 C +ATOM 2465 N VAL A 337 41.149 33.916 18.759 1.00 28.81 N +ATOM 2466 CA VAL A 337 41.301 35.121 19.562 1.00 28.90 C +ATOM 2467 C VAL A 337 40.132 35.250 20.522 1.00 28.40 C +ATOM 2468 O VAL A 337 38.980 35.232 20.100 1.00 28.04 O +ATOM 2469 CB VAL A 337 41.386 36.371 18.654 1.00 30.57 C +ATOM 2470 CG1 VAL A 337 41.376 37.645 19.494 1.00 28.63 C +ATOM 2471 CG2 VAL A 337 42.663 36.297 17.812 1.00 28.74 C +ATOM 2472 N LEU A 338 40.438 35.373 21.814 1.00 30.03 N +ATOM 2473 CA LEU A 338 39.417 35.483 22.859 1.00 30.00 C +ATOM 2474 C LEU A 338 39.740 36.614 23.829 1.00 29.80 C +ATOM 2475 O LEU A 338 40.855 36.730 24.323 1.00 31.21 O +ATOM 2476 CB LEU A 338 39.315 34.153 23.628 1.00 30.69 C +ATOM 2477 CG LEU A 338 38.398 33.924 24.847 1.00 30.04 C +ATOM 2478 CD1 LEU A 338 38.900 34.686 26.042 1.00 33.25 C +ATOM 2479 CD2 LEU A 338 36.987 34.337 24.527 1.00 32.88 C +ATOM 2480 N THR A 339 38.746 37.440 24.109 1.00 31.15 N +ATOM 2481 CA THR A 339 38.925 38.551 25.022 1.00 31.61 C +ATOM 2482 C THR A 339 37.898 38.443 26.127 1.00 31.47 C +ATOM 2483 O THR A 339 36.737 38.153 25.872 1.00 31.43 O +ATOM 2484 CB THR A 339 38.747 39.899 24.291 1.00 33.82 C +ATOM 2485 OG1 THR A 339 39.805 40.058 23.336 1.00 37.07 O +ATOM 2486 CG2 THR A 339 38.766 41.068 25.283 1.00 33.83 C +ATOM 2487 N ILE A 340 38.334 38.656 27.360 1.00 31.58 N +ATOM 2488 CA ILE A 340 37.431 38.600 28.496 1.00 31.21 C +ATOM 2489 C ILE A 340 37.628 39.830 29.376 1.00 31.98 C +ATOM 2490 O ILE A 340 38.743 40.130 29.785 1.00 31.09 O +ATOM 2491 CB ILE A 340 37.677 37.322 29.325 1.00 32.90 C +ATOM 2492 CG1 ILE A 340 36.974 36.139 28.655 1.00 35.44 C +ATOM 2493 CG2 ILE A 340 37.207 37.519 30.767 1.00 30.78 C +ATOM 2494 CD1 ILE A 340 37.233 34.812 29.322 1.00 36.23 C +ATOM 2495 N ASP A 341 36.549 40.556 29.647 1.00 32.41 N +ATOM 2496 CA ASP A 341 36.646 41.725 30.504 1.00 34.71 C +ATOM 2497 C ASP A 341 35.404 41.877 31.368 1.00 34.90 C +ATOM 2498 O ASP A 341 34.580 40.963 31.445 1.00 34.74 O +ATOM 2499 CB ASP A 341 36.909 43.007 29.692 1.00 37.57 C +ATOM 2500 CG ASP A 341 35.801 43.331 28.705 1.00 38.44 C +ATOM 2501 OD1 ASP A 341 34.655 42.886 28.909 1.00 40.85 O +ATOM 2502 OD2 ASP A 341 36.083 44.056 27.726 1.00 41.81 O +ATOM 2503 N GLU A 342 35.270 43.030 32.014 1.00 35.52 N +ATOM 2504 CA GLU A 342 34.148 43.280 32.910 1.00 38.62 C +ATOM 2505 C GLU A 342 32.776 43.488 32.268 1.00 40.89 C +ATOM 2506 O GLU A 342 31.749 43.246 32.901 1.00 41.24 O +ATOM 2507 CB GLU A 342 34.462 44.489 33.797 1.00 38.18 C +ATOM 2508 CG GLU A 342 35.809 44.417 34.489 1.00 38.73 C +ATOM 2509 CD GLU A 342 36.912 45.087 33.695 1.00 40.88 C +ATOM 2510 OE1 GLU A 342 36.901 44.988 32.444 1.00 41.12 O +ATOM 2511 OE2 GLU A 342 37.798 45.707 34.325 1.00 40.84 O +ATOM 2512 N LYS A 343 32.759 43.929 31.017 1.00 44.71 N +ATOM 2513 CA LYS A 343 31.509 44.227 30.316 1.00 50.20 C +ATOM 2514 C LYS A 343 30.405 43.168 30.327 1.00 52.04 C +ATOM 2515 O LYS A 343 30.641 41.981 30.097 1.00 51.73 O +ATOM 2516 CB LYS A 343 31.829 44.636 28.877 1.00 50.49 C +ATOM 2517 CG LYS A 343 32.756 45.842 28.798 1.00 53.21 C +ATOM 2518 CD LYS A 343 33.332 46.018 27.399 1.00 57.03 C +ATOM 2519 CE LYS A 343 34.394 47.112 27.368 1.00 57.86 C +ATOM 2520 NZ LYS A 343 35.067 47.195 26.040 1.00 58.84 N +ATOM 2521 N GLY A 344 29.189 43.626 30.594 1.00 55.32 N +ATOM 2522 CA GLY A 344 28.048 42.735 30.625 1.00 61.34 C +ATOM 2523 C GLY A 344 26.739 43.462 30.371 1.00 66.13 C +ATOM 2524 O GLY A 344 26.683 44.420 29.594 1.00 66.45 O +ATOM 2525 N THR A 345 25.685 43.001 31.038 1.00 69.99 N +ATOM 2526 CA THR A 345 24.349 43.574 30.908 1.00 74.42 C +ATOM 2527 C THR A 345 24.275 45.019 31.415 1.00 77.88 C +ATOM 2528 O THR A 345 25.184 45.503 32.095 1.00 78.57 O +ATOM 2529 CB THR A 345 23.324 42.705 31.676 1.00 74.22 C +ATOM 2530 OG1 THR A 345 23.387 41.360 31.186 1.00 74.45 O +ATOM 2531 CG2 THR A 345 21.907 43.236 31.493 1.00 73.81 C +ATOM 2532 N GLU A 346 23.184 45.700 31.074 1.00 81.10 N +ATOM 2533 CA GLU A 346 22.964 47.084 31.481 1.00 84.15 C +ATOM 2534 C GLU A 346 21.888 47.172 32.565 1.00 85.47 C +ATOM 2535 O GLU A 346 20.719 46.869 32.316 1.00 85.90 O +ATOM 2536 CB GLU A 346 22.526 47.912 30.275 1.00 85.59 C +ATOM 2537 CG GLU A 346 23.485 47.867 29.104 1.00 87.90 C +ATOM 2538 CD GLU A 346 22.846 48.366 27.823 1.00 88.95 C +ATOM 2539 OE1 GLU A 346 23.560 48.476 26.804 1.00 88.77 O +ATOM 2540 OE2 GLU A 346 21.624 48.640 27.838 1.00 89.35 O +ATOM 2541 N ALA A 347 22.288 47.591 33.762 1.00 86.69 N +ATOM 2542 CA ALA A 347 21.366 47.727 34.888 1.00 87.62 C +ATOM 2543 C ALA A 347 22.138 48.128 36.137 1.00 88.48 C +ATOM 2544 O ALA A 347 21.864 47.635 37.235 1.00 88.30 O +ATOM 2545 CB ALA A 347 20.626 46.412 35.130 1.00 87.62 C +ATOM 2546 N ALA A 348 23.107 49.021 35.955 1.00 89.38 N +ATOM 2547 CA ALA A 348 23.938 49.506 37.051 1.00 90.34 C +ATOM 2548 C ALA A 348 23.079 49.946 38.233 1.00 90.67 C +ATOM 2549 O ALA A 348 22.757 51.129 38.375 1.00 90.95 O +ATOM 2550 CB ALA A 348 24.807 50.670 36.571 1.00 90.53 C +ATOM 2551 N GLY A 349 22.714 48.985 39.079 1.00 90.11 N +ATOM 2552 CA GLY A 349 21.895 49.289 40.237 1.00 89.56 C +ATOM 2553 C GLY A 349 21.538 48.070 41.067 1.00 88.97 C +ATOM 2554 O GLY A 349 22.286 47.090 41.112 1.00 88.33 O +ATOM 2555 N ALA A 350 20.384 48.137 41.726 1.00 88.38 N +ATOM 2556 CA ALA A 350 19.905 47.049 42.570 1.00 87.20 C +ATOM 2557 C ALA A 350 19.477 45.829 41.754 1.00 86.57 C +ATOM 2558 O ALA A 350 19.242 44.756 42.314 1.00 86.99 O +ATOM 2559 CB ALA A 350 18.743 47.535 43.436 1.00 86.48 C +ATOM 2560 N MET A 351 19.371 45.991 40.437 1.00 85.27 N +ATOM 2561 CA MET A 351 18.976 44.881 39.573 1.00 83.19 C +ATOM 2562 C MET A 351 19.938 43.718 39.782 1.00 80.16 C +ATOM 2563 O MET A 351 19.536 42.554 39.806 1.00 80.32 O +ATOM 2564 CB MET A 351 18.999 45.296 38.096 1.00 85.07 C +ATOM 2565 CG MET A 351 17.949 46.328 37.691 1.00 87.80 C +ATOM 2566 SD MET A 351 18.437 48.046 37.985 1.00 91.45 S +ATOM 2567 CE MET A 351 17.597 48.388 39.543 1.00 90.57 C +ATOM 2568 N PHE A 352 21.213 44.052 39.945 1.00 76.50 N +ATOM 2569 CA PHE A 352 22.258 43.058 40.146 1.00 72.64 C +ATOM 2570 C PHE A 352 22.472 42.739 41.628 1.00 68.81 C +ATOM 2571 O PHE A 352 23.539 42.262 42.023 1.00 69.43 O +ATOM 2572 CB PHE A 352 23.565 43.558 39.519 1.00 73.32 C +ATOM 2573 CG PHE A 352 23.495 43.733 38.024 1.00 74.21 C +ATOM 2574 CD1 PHE A 352 24.135 44.805 37.406 1.00 74.08 C +ATOM 2575 CD2 PHE A 352 22.799 42.820 37.231 1.00 74.75 C +ATOM 2576 CE1 PHE A 352 24.083 44.967 36.021 1.00 74.09 C +ATOM 2577 CE2 PHE A 352 22.742 42.971 35.846 1.00 73.85 C +ATOM 2578 CZ PHE A 352 23.385 44.047 35.240 1.00 74.37 C +ATOM 2579 N LEU A 353 21.458 43.001 42.445 1.00 62.91 N +ATOM 2580 CA LEU A 353 21.556 42.726 43.872 1.00 57.33 C +ATOM 2581 C LEU A 353 21.054 41.310 44.150 1.00 54.28 C +ATOM 2582 O LEU A 353 19.869 41.020 44.014 1.00 53.83 O +ATOM 2583 CB LEU A 353 20.738 43.750 44.658 1.00 55.45 C +ATOM 2584 CG LEU A 353 21.457 44.433 45.824 1.00 55.02 C +ATOM 2585 CD1 LEU A 353 22.743 45.073 45.339 1.00 52.06 C +ATOM 2586 CD2 LEU A 353 20.543 45.480 46.445 1.00 54.31 C +ATOM 2587 N GLU A 354 21.972 40.428 44.533 1.00 52.03 N +ATOM 2588 CA GLU A 354 21.641 39.032 44.814 1.00 48.68 C +ATOM 2589 C GLU A 354 21.465 38.762 46.307 1.00 45.31 C +ATOM 2590 O GLU A 354 21.999 39.484 47.144 1.00 44.23 O +ATOM 2591 CB GLU A 354 22.749 38.123 44.268 1.00 49.54 C +ATOM 2592 CG GLU A 354 23.005 38.279 42.769 1.00 51.85 C +ATOM 2593 CD GLU A 354 24.242 37.527 42.290 1.00 52.32 C +ATOM 2594 OE1 GLU A 354 25.365 37.891 42.700 1.00 52.36 O +ATOM 2595 OE2 GLU A 354 24.092 36.572 41.500 1.00 53.97 O +ATOM 2596 N ALA A 355 20.713 37.717 46.632 1.00 42.61 N +ATOM 2597 CA ALA A 355 20.498 37.332 48.024 1.00 42.16 C +ATOM 2598 C ALA A 355 21.707 36.495 48.441 1.00 40.07 C +ATOM 2599 O ALA A 355 21.910 35.398 47.925 1.00 39.40 O +ATOM 2600 CB ALA A 355 19.214 36.512 48.152 1.00 42.49 C +ATOM 2601 N ILE A 356 22.498 37.012 49.377 1.00 38.04 N +ATOM 2602 CA ILE A 356 23.709 36.328 49.823 1.00 36.48 C +ATOM 2603 C ILE A 356 23.708 35.965 51.308 1.00 33.95 C +ATOM 2604 O ILE A 356 23.309 36.773 52.144 1.00 34.23 O +ATOM 2605 CB ILE A 356 24.943 37.223 49.558 1.00 36.72 C +ATOM 2606 CG1 ILE A 356 24.838 37.855 48.170 1.00 41.75 C +ATOM 2607 CG2 ILE A 356 26.211 36.410 49.618 1.00 34.90 C +ATOM 2608 CD1 ILE A 356 25.913 38.892 47.882 1.00 44.68 C +ATOM 2609 N PRO A 357 24.130 34.733 51.655 1.00 32.44 N +ATOM 2610 CA PRO A 357 24.164 34.344 53.072 1.00 31.22 C +ATOM 2611 C PRO A 357 25.154 35.295 53.738 1.00 29.74 C +ATOM 2612 O PRO A 357 26.048 35.803 53.069 1.00 29.34 O +ATOM 2613 CB PRO A 357 24.676 32.910 53.021 1.00 30.45 C +ATOM 2614 CG PRO A 357 24.077 32.403 51.749 1.00 32.18 C +ATOM 2615 CD PRO A 357 24.339 33.559 50.790 1.00 32.58 C +ATOM 2616 N ARG A 358 25.023 35.541 55.037 1.00 30.35 N +ATOM 2617 CA ARG A 358 25.935 36.492 55.658 1.00 31.07 C +ATOM 2618 C ARG A 358 27.158 36.019 56.416 1.00 30.73 C +ATOM 2619 O ARG A 358 27.665 36.718 57.296 1.00 31.88 O +ATOM 2620 CB ARG A 358 25.139 37.493 56.492 1.00 30.38 C +ATOM 2621 CG ARG A 358 24.527 38.535 55.572 1.00 28.83 C +ATOM 2622 CD ARG A 358 23.627 39.517 56.263 1.00 30.26 C +ATOM 2623 NE ARG A 358 23.152 40.498 55.295 1.00 31.39 N +ATOM 2624 CZ ARG A 358 22.213 41.401 55.536 1.00 29.09 C +ATOM 2625 NH1 ARG A 358 21.855 42.250 54.583 1.00 30.53 N +ATOM 2626 NH2 ARG A 358 21.629 41.450 56.721 1.00 28.92 N +ATOM 2627 N SER A 359 27.641 34.835 56.070 1.00 28.53 N +ATOM 2628 CA SER A 359 28.857 34.325 56.685 1.00 29.06 C +ATOM 2629 C SER A 359 29.934 34.979 55.830 1.00 27.94 C +ATOM 2630 O SER A 359 29.612 35.710 54.894 1.00 27.93 O +ATOM 2631 CB SER A 359 28.942 32.811 56.515 1.00 27.90 C +ATOM 2632 OG SER A 359 28.959 32.487 55.135 1.00 27.04 O +ATOM 2633 N ILE A 360 31.201 34.741 56.146 1.00 27.05 N +ATOM 2634 CA ILE A 360 32.275 35.286 55.332 1.00 27.18 C +ATOM 2635 C ILE A 360 32.304 34.356 54.123 1.00 29.28 C +ATOM 2636 O ILE A 360 32.386 33.142 54.273 1.00 31.21 O +ATOM 2637 CB ILE A 360 33.643 35.222 56.047 1.00 24.87 C +ATOM 2638 CG1 ILE A 360 33.684 36.215 57.215 1.00 26.31 C +ATOM 2639 CG2 ILE A 360 34.756 35.532 55.060 1.00 26.17 C +ATOM 2640 CD1 ILE A 360 33.669 37.676 56.794 1.00 25.25 C +ATOM 2641 N PRO A 361 32.209 34.910 52.910 1.00 31.69 N +ATOM 2642 CA PRO A 361 32.229 34.065 51.712 1.00 32.17 C +ATOM 2643 C PRO A 361 33.632 33.695 51.263 1.00 30.33 C +ATOM 2644 O PRO A 361 34.565 34.482 51.411 1.00 28.26 O +ATOM 2645 CB PRO A 361 31.525 34.930 50.677 1.00 33.60 C +ATOM 2646 CG PRO A 361 32.013 36.295 51.041 1.00 34.53 C +ATOM 2647 CD PRO A 361 31.886 36.306 52.558 1.00 32.73 C +ATOM 2648 N PRO A 362 33.797 32.492 50.689 1.00 29.73 N +ATOM 2649 CA PRO A 362 35.128 32.089 50.231 1.00 26.59 C +ATOM 2650 C PRO A 362 35.615 33.024 49.139 1.00 27.64 C +ATOM 2651 O PRO A 362 34.833 33.486 48.307 1.00 28.64 O +ATOM 2652 CB PRO A 362 34.907 30.667 49.727 1.00 28.53 C +ATOM 2653 CG PRO A 362 33.471 30.682 49.274 1.00 29.27 C +ATOM 2654 CD PRO A 362 32.795 31.457 50.383 1.00 27.34 C +ATOM 2655 N GLU A 363 36.912 33.301 49.156 1.00 28.46 N +ATOM 2656 CA GLU A 363 37.550 34.174 48.181 1.00 29.10 C +ATOM 2657 C GLU A 363 38.260 33.252 47.197 1.00 27.79 C +ATOM 2658 O GLU A 363 39.390 32.836 47.429 1.00 29.04 O +ATOM 2659 CB GLU A 363 38.558 35.080 48.892 1.00 30.78 C +ATOM 2660 CG GLU A 363 39.159 36.174 48.042 1.00 37.88 C +ATOM 2661 CD GLU A 363 40.149 37.025 48.829 1.00 44.04 C +ATOM 2662 OE1 GLU A 363 41.187 36.478 49.264 1.00 46.05 O +ATOM 2663 OE2 GLU A 363 39.889 38.236 49.023 1.00 45.36 O +ATOM 2664 N VAL A 364 37.581 32.927 46.104 1.00 27.56 N +ATOM 2665 CA VAL A 364 38.123 32.035 45.094 1.00 24.67 C +ATOM 2666 C VAL A 364 38.831 32.834 44.019 1.00 25.38 C +ATOM 2667 O VAL A 364 38.204 33.544 43.240 1.00 25.70 O +ATOM 2668 CB VAL A 364 36.992 31.175 44.462 1.00 24.87 C +ATOM 2669 CG1 VAL A 364 37.577 30.156 43.488 1.00 22.65 C +ATOM 2670 CG2 VAL A 364 36.217 30.466 45.565 1.00 23.65 C +ATOM 2671 N LYS A 365 40.147 32.696 43.963 1.00 27.03 N +ATOM 2672 CA LYS A 365 40.929 33.444 43.001 1.00 28.13 C +ATOM 2673 C LYS A 365 41.485 32.626 41.850 1.00 27.24 C +ATOM 2674 O LYS A 365 42.105 31.587 42.051 1.00 27.48 O +ATOM 2675 CB LYS A 365 42.089 34.132 43.717 1.00 31.26 C +ATOM 2676 CG LYS A 365 41.674 35.136 44.780 1.00 36.68 C +ATOM 2677 CD LYS A 365 42.890 35.556 45.600 1.00 42.43 C +ATOM 2678 CE LYS A 365 42.704 36.935 46.220 1.00 46.89 C +ATOM 2679 NZ LYS A 365 42.740 37.997 45.175 1.00 49.41 N +ATOM 2680 N PHE A 366 41.254 33.092 40.634 1.00 23.56 N +ATOM 2681 CA PHE A 366 41.815 32.411 39.487 1.00 24.27 C +ATOM 2682 C PHE A 366 43.126 33.139 39.224 1.00 24.70 C +ATOM 2683 O PHE A 366 43.250 33.924 38.281 1.00 25.47 O +ATOM 2684 CB PHE A 366 40.845 32.483 38.309 1.00 20.16 C +ATOM 2685 CG PHE A 366 39.735 31.486 38.415 1.00 20.10 C +ATOM 2686 CD1 PHE A 366 38.746 31.631 39.383 1.00 21.49 C +ATOM 2687 CD2 PHE A 366 39.742 30.339 37.631 1.00 18.34 C +ATOM 2688 CE1 PHE A 366 37.781 30.641 39.578 1.00 20.38 C +ATOM 2689 CE2 PHE A 366 38.790 29.344 37.812 1.00 18.26 C +ATOM 2690 CZ PHE A 366 37.805 29.491 38.790 1.00 20.60 C +ATOM 2691 N ASN A 367 44.090 32.874 40.106 1.00 25.11 N +ATOM 2692 CA ASN A 367 45.403 33.504 40.068 1.00 25.10 C +ATOM 2693 C ASN A 367 46.564 32.549 39.846 1.00 26.22 C +ATOM 2694 O ASN A 367 47.675 32.793 40.316 1.00 27.32 O +ATOM 2695 CB ASN A 367 45.645 34.286 41.364 1.00 25.39 C +ATOM 2696 CG ASN A 367 45.579 33.406 42.601 1.00 26.80 C +ATOM 2697 OD1 ASN A 367 45.501 32.180 42.506 1.00 27.11 O +ATOM 2698 ND2 ASN A 367 45.614 34.030 43.771 1.00 28.04 N +ATOM 2699 N LYS A 368 46.307 31.452 39.151 1.00 26.28 N +ATOM 2700 CA LYS A 368 47.358 30.495 38.836 1.00 25.96 C +ATOM 2701 C LYS A 368 46.853 29.767 37.600 1.00 24.05 C +ATOM 2702 O LYS A 368 45.680 29.877 37.263 1.00 25.33 O +ATOM 2703 CB LYS A 368 47.623 29.546 40.015 1.00 27.51 C +ATOM 2704 CG LYS A 368 46.406 28.840 40.575 1.00 30.79 C +ATOM 2705 CD LYS A 368 46.810 27.875 41.677 1.00 33.12 C +ATOM 2706 CE LYS A 368 45.615 27.060 42.154 1.00 38.15 C +ATOM 2707 NZ LYS A 368 45.989 26.005 43.140 1.00 43.07 N +ATOM 2708 N PRO A 369 47.724 29.022 36.905 1.00 23.71 N +ATOM 2709 CA PRO A 369 47.303 28.312 35.694 1.00 21.63 C +ATOM 2710 C PRO A 369 45.969 27.591 35.774 1.00 21.50 C +ATOM 2711 O PRO A 369 45.670 26.905 36.750 1.00 21.72 O +ATOM 2712 CB PRO A 369 48.476 27.371 35.424 1.00 23.74 C +ATOM 2713 CG PRO A 369 49.652 28.163 35.917 1.00 21.95 C +ATOM 2714 CD PRO A 369 49.124 28.690 37.241 1.00 22.45 C +ATOM 2715 N PHE A 370 45.153 27.770 34.741 1.00 22.01 N +ATOM 2716 CA PHE A 370 43.857 27.116 34.697 1.00 22.27 C +ATOM 2717 C PHE A 370 43.435 26.779 33.286 1.00 21.94 C +ATOM 2718 O PHE A 370 43.991 27.283 32.305 1.00 21.29 O +ATOM 2719 CB PHE A 370 42.784 27.968 35.391 1.00 22.56 C +ATOM 2720 CG PHE A 370 42.558 29.312 34.764 1.00 25.42 C +ATOM 2721 CD1 PHE A 370 41.653 29.468 33.719 1.00 23.94 C +ATOM 2722 CD2 PHE A 370 43.210 30.439 35.258 1.00 24.23 C +ATOM 2723 CE1 PHE A 370 41.395 30.729 33.183 1.00 25.66 C +ATOM 2724 CE2 PHE A 370 42.956 31.699 34.727 1.00 24.33 C +ATOM 2725 CZ PHE A 370 42.045 31.844 33.689 1.00 24.78 C +ATOM 2726 N VAL A 371 42.443 25.906 33.206 1.00 22.01 N +ATOM 2727 CA VAL A 371 41.898 25.435 31.949 1.00 21.42 C +ATOM 2728 C VAL A 371 40.482 25.976 31.823 1.00 23.07 C +ATOM 2729 O VAL A 371 39.824 26.241 32.832 1.00 23.17 O +ATOM 2730 CB VAL A 371 41.870 23.884 31.940 1.00 23.41 C +ATOM 2731 CG1 VAL A 371 41.278 23.353 30.636 1.00 23.82 C +ATOM 2732 CG2 VAL A 371 43.272 23.363 32.126 1.00 22.01 C +ATOM 2733 N PHE A 372 40.011 26.155 30.593 1.00 21.36 N +ATOM 2734 CA PHE A 372 38.662 26.654 30.402 1.00 23.35 C +ATOM 2735 C PHE A 372 38.111 26.252 29.048 1.00 24.44 C +ATOM 2736 O PHE A 372 38.835 25.801 28.168 1.00 24.11 O +ATOM 2737 CB PHE A 372 38.616 28.177 30.508 1.00 24.69 C +ATOM 2738 CG PHE A 372 39.313 28.875 29.381 1.00 26.56 C +ATOM 2739 CD1 PHE A 372 40.696 28.988 29.367 1.00 28.81 C +ATOM 2740 CD2 PHE A 372 38.588 29.377 28.307 1.00 30.79 C +ATOM 2741 CE1 PHE A 372 41.355 29.590 28.297 1.00 31.01 C +ATOM 2742 CE2 PHE A 372 39.237 29.980 27.228 1.00 30.74 C +ATOM 2743 CZ PHE A 372 40.620 30.086 27.224 1.00 31.11 C +ATOM 2744 N LEU A 373 36.808 26.418 28.905 1.00 25.13 N +ATOM 2745 CA LEU A 373 36.124 26.120 27.663 1.00 27.43 C +ATOM 2746 C LEU A 373 34.975 27.091 27.548 1.00 25.90 C +ATOM 2747 O LEU A 373 34.504 27.635 28.544 1.00 25.71 O +ATOM 2748 CB LEU A 373 35.542 24.701 27.660 1.00 29.16 C +ATOM 2749 CG LEU A 373 36.473 23.524 27.375 1.00 31.36 C +ATOM 2750 CD1 LEU A 373 36.948 22.923 28.690 1.00 30.44 C +ATOM 2751 CD2 LEU A 373 35.737 22.482 26.549 1.00 29.54 C +ATOM 2752 N ILE A 374 34.545 27.324 26.320 1.00 27.22 N +ATOM 2753 CA ILE A 374 33.393 28.170 26.080 1.00 28.04 C +ATOM 2754 C ILE A 374 32.450 27.257 25.319 1.00 27.47 C +ATOM 2755 O ILE A 374 32.786 26.740 24.257 1.00 27.39 O +ATOM 2756 CB ILE A 374 33.770 29.443 25.298 1.00 27.17 C +ATOM 2757 CG1 ILE A 374 34.621 30.333 26.225 1.00 25.22 C +ATOM 2758 CG2 ILE A 374 32.507 30.173 24.830 1.00 25.25 C +ATOM 2759 CD1 ILE A 374 34.819 31.735 25.768 1.00 30.10 C +ATOM 2760 N ILE A 375 31.289 27.026 25.917 1.00 30.50 N +ATOM 2761 CA ILE A 375 30.281 26.128 25.376 1.00 32.89 C +ATOM 2762 C ILE A 375 29.057 26.837 24.818 1.00 35.46 C +ATOM 2763 O ILE A 375 28.470 27.708 25.470 1.00 33.69 O +ATOM 2764 CB ILE A 375 29.802 25.145 26.473 1.00 34.14 C +ATOM 2765 CG1 ILE A 375 30.997 24.357 27.019 1.00 34.83 C +ATOM 2766 CG2 ILE A 375 28.727 24.208 25.924 1.00 33.14 C +ATOM 2767 CD1 ILE A 375 31.781 23.627 25.958 1.00 37.80 C +ATOM 2768 N GLU A 376 28.668 26.447 23.610 1.00 36.65 N +ATOM 2769 CA GLU A 376 27.488 27.020 22.982 1.00 40.67 C +ATOM 2770 C GLU A 376 26.290 26.524 23.807 1.00 40.28 C +ATOM 2771 O GLU A 376 26.189 25.340 24.122 1.00 39.73 O +ATOM 2772 CB GLU A 376 27.402 26.551 21.528 1.00 44.59 C +ATOM 2773 CG GLU A 376 26.566 27.442 20.639 1.00 49.66 C +ATOM 2774 CD GLU A 376 25.098 27.281 20.903 1.00 55.11 C +ATOM 2775 OE1 GLU A 376 24.613 26.136 20.762 1.00 59.18 O +ATOM 2776 OE2 GLU A 376 24.430 28.285 21.248 1.00 58.49 O +ATOM 2777 N GLN A 377 25.391 27.435 24.157 1.00 40.54 N +ATOM 2778 CA GLN A 377 24.237 27.101 24.984 1.00 43.11 C +ATOM 2779 C GLN A 377 23.276 26.013 24.479 1.00 43.16 C +ATOM 2780 O GLN A 377 22.919 25.100 25.226 1.00 42.52 O +ATOM 2781 CB GLN A 377 23.437 28.375 25.272 1.00 45.91 C +ATOM 2782 CG GLN A 377 22.681 28.357 26.591 1.00 49.24 C +ATOM 2783 CD GLN A 377 23.609 28.321 27.797 1.00 53.50 C +ATOM 2784 OE1 GLN A 377 24.451 29.207 27.984 1.00 54.65 O +ATOM 2785 NE2 GLN A 377 23.457 27.294 28.625 1.00 56.05 N +ATOM 2786 N ASN A 378 22.850 26.103 23.222 1.00 41.61 N +ATOM 2787 CA ASN A 378 21.894 25.134 22.696 1.00 40.26 C +ATOM 2788 C ASN A 378 22.463 23.790 22.256 1.00 38.67 C +ATOM 2789 O ASN A 378 21.886 22.743 22.561 1.00 37.93 O +ATOM 2790 CB ASN A 378 21.097 25.758 21.543 1.00 41.39 C +ATOM 2791 CG ASN A 378 20.393 27.047 21.951 1.00 42.88 C +ATOM 2792 OD1 ASN A 378 19.681 27.087 22.951 1.00 43.24 O +ATOM 2793 ND2 ASN A 378 20.591 28.105 21.173 1.00 46.26 N +ATOM 2794 N THR A 379 23.589 23.815 21.549 1.00 34.79 N +ATOM 2795 CA THR A 379 24.201 22.590 21.056 1.00 33.78 C +ATOM 2796 C THR A 379 25.244 22.002 21.995 1.00 33.31 C +ATOM 2797 O THR A 379 25.647 20.838 21.840 1.00 30.45 O +ATOM 2798 CB THR A 379 24.865 22.828 19.695 1.00 34.87 C +ATOM 2799 OG1 THR A 379 25.998 23.692 19.863 1.00 32.83 O +ATOM 2800 CG2 THR A 379 23.874 23.480 18.739 1.00 33.61 C +ATOM 2801 N LYS A 380 25.686 22.810 22.957 1.00 33.80 N +ATOM 2802 CA LYS A 380 26.693 22.375 23.924 1.00 33.35 C +ATOM 2803 C LYS A 380 28.033 22.078 23.257 1.00 32.10 C +ATOM 2804 O LYS A 380 28.886 21.406 23.833 1.00 34.29 O +ATOM 2805 CB LYS A 380 26.206 21.129 24.663 1.00 34.62 C +ATOM 2806 CG LYS A 380 25.413 21.406 25.915 1.00 38.24 C +ATOM 2807 CD LYS A 380 24.177 22.233 25.674 1.00 40.89 C +ATOM 2808 CE LYS A 380 23.430 22.414 26.990 1.00 42.68 C +ATOM 2809 NZ LYS A 380 22.172 23.182 26.842 1.00 47.24 N +ATOM 2810 N ALA A 381 28.214 22.576 22.038 1.00 30.85 N +ATOM 2811 CA ALA A 381 29.458 22.366 21.300 1.00 28.81 C +ATOM 2812 C ALA A 381 30.579 23.194 21.915 1.00 27.29 C +ATOM 2813 O ALA A 381 30.344 24.298 22.411 1.00 25.94 O +ATOM 2814 CB ALA A 381 29.276 22.756 19.832 1.00 24.78 C +ATOM 2815 N PRO A 382 31.817 22.668 21.890 1.00 27.09 N +ATOM 2816 CA PRO A 382 32.959 23.393 22.457 1.00 28.20 C +ATOM 2817 C PRO A 382 33.532 24.440 21.497 1.00 27.20 C +ATOM 2818 O PRO A 382 34.364 24.129 20.658 1.00 29.04 O +ATOM 2819 CB PRO A 382 33.959 22.272 22.764 1.00 27.02 C +ATOM 2820 CG PRO A 382 33.725 21.315 21.643 1.00 25.73 C +ATOM 2821 CD PRO A 382 32.191 21.283 21.544 1.00 26.16 C +ATOM 2822 N LEU A 383 33.084 25.681 21.635 1.00 28.42 N +ATOM 2823 CA LEU A 383 33.556 26.772 20.782 1.00 27.59 C +ATOM 2824 C LEU A 383 35.038 27.062 20.998 1.00 27.09 C +ATOM 2825 O LEU A 383 35.777 27.341 20.050 1.00 27.34 O +ATOM 2826 CB LEU A 383 32.740 28.037 21.067 1.00 26.31 C +ATOM 2827 CG LEU A 383 31.254 27.885 20.752 1.00 28.65 C +ATOM 2828 CD1 LEU A 383 30.461 29.080 21.269 1.00 29.60 C +ATOM 2829 CD2 LEU A 383 31.091 27.729 19.251 1.00 29.26 C +ATOM 2830 N PHE A 384 35.464 27.000 22.254 1.00 24.83 N +ATOM 2831 CA PHE A 384 36.853 27.264 22.616 1.00 26.30 C +ATOM 2832 C PHE A 384 37.307 26.359 23.749 1.00 26.67 C +ATOM 2833 O PHE A 384 36.512 25.940 24.593 1.00 28.70 O +ATOM 2834 CB PHE A 384 37.032 28.695 23.142 1.00 25.65 C +ATOM 2835 CG PHE A 384 37.021 29.764 22.094 1.00 24.76 C +ATOM 2836 CD1 PHE A 384 38.199 30.136 21.453 1.00 26.81 C +ATOM 2837 CD2 PHE A 384 35.853 30.464 21.817 1.00 24.90 C +ATOM 2838 CE1 PHE A 384 38.219 31.200 20.555 1.00 26.89 C +ATOM 2839 CE2 PHE A 384 35.856 31.534 20.916 1.00 30.00 C +ATOM 2840 CZ PHE A 384 37.044 31.905 20.284 1.00 28.00 C +ATOM 2841 N MET A 385 38.602 26.084 23.762 1.00 27.29 N +ATOM 2842 CA MET A 385 39.228 25.323 24.823 1.00 27.10 C +ATOM 2843 C MET A 385 40.627 25.898 24.938 1.00 27.93 C +ATOM 2844 O MET A 385 41.310 26.100 23.934 1.00 25.50 O +ATOM 2845 CB MET A 385 39.312 23.830 24.518 1.00 26.67 C +ATOM 2846 CG MET A 385 40.025 23.086 25.639 1.00 30.39 C +ATOM 2847 SD MET A 385 39.702 21.315 25.760 1.00 33.21 S +ATOM 2848 CE MET A 385 40.213 21.011 27.441 1.00 30.09 C +ATOM 2849 N GLY A 386 41.038 26.195 26.163 1.00 27.60 N +ATOM 2850 CA GLY A 386 42.359 26.742 26.354 1.00 28.15 C +ATOM 2851 C GLY A 386 42.884 26.592 27.762 1.00 28.36 C +ATOM 2852 O GLY A 386 42.219 26.068 28.660 1.00 28.89 O +ATOM 2853 N ARG A 387 44.107 27.062 27.938 1.00 26.76 N +ATOM 2854 CA ARG A 387 44.779 27.026 29.214 1.00 24.17 C +ATOM 2855 C ARG A 387 45.488 28.363 29.357 1.00 26.01 C +ATOM 2856 O ARG A 387 46.145 28.822 28.425 1.00 23.50 O +ATOM 2857 CB ARG A 387 45.815 25.906 29.239 1.00 24.25 C +ATOM 2858 CG ARG A 387 46.675 25.913 30.498 1.00 21.94 C +ATOM 2859 CD ARG A 387 47.547 24.690 30.564 1.00 22.31 C +ATOM 2860 NE ARG A 387 48.643 24.740 29.606 1.00 23.62 N +ATOM 2861 CZ ARG A 387 49.479 23.729 29.391 1.00 24.91 C +ATOM 2862 NH1 ARG A 387 49.324 22.592 30.064 1.00 20.57 N +ATOM 2863 NH2 ARG A 387 50.480 23.862 28.527 1.00 23.87 N +ATOM 2864 N VAL A 388 45.348 28.986 30.519 1.00 25.35 N +ATOM 2865 CA VAL A 388 45.999 30.253 30.762 1.00 24.04 C +ATOM 2866 C VAL A 388 47.103 30.017 31.780 1.00 24.35 C +ATOM 2867 O VAL A 388 46.830 29.728 32.943 1.00 23.49 O +ATOM 2868 CB VAL A 388 45.005 31.306 31.321 1.00 24.28 C +ATOM 2869 CG1 VAL A 388 45.754 32.579 31.715 1.00 21.92 C +ATOM 2870 CG2 VAL A 388 43.949 31.626 30.282 1.00 22.07 C +ATOM 2871 N VAL A 389 48.345 30.123 31.326 1.00 23.57 N +ATOM 2872 CA VAL A 389 49.507 29.959 32.187 1.00 25.29 C +ATOM 2873 C VAL A 389 50.032 31.331 32.607 1.00 25.33 C +ATOM 2874 O VAL A 389 50.342 31.553 33.773 1.00 24.11 O +ATOM 2875 CB VAL A 389 50.632 29.198 31.473 1.00 25.29 C +ATOM 2876 CG1 VAL A 389 51.922 29.331 32.262 1.00 25.52 C +ATOM 2877 CG2 VAL A 389 50.248 27.725 31.335 1.00 24.38 C +ATOM 2878 N ASN A 390 50.133 32.239 31.641 1.00 25.62 N +ATOM 2879 CA ASN A 390 50.586 33.602 31.885 1.00 25.30 C +ATOM 2880 C ASN A 390 49.683 34.519 31.050 1.00 27.01 C +ATOM 2881 O ASN A 390 49.859 34.642 29.838 1.00 24.25 O +ATOM 2882 CB ASN A 390 52.044 33.771 31.451 1.00 25.14 C +ATOM 2883 CG ASN A 390 52.610 35.138 31.824 1.00 25.71 C +ATOM 2884 OD1 ASN A 390 51.864 36.079 32.106 1.00 21.30 O +ATOM 2885 ND2 ASN A 390 53.934 35.252 31.818 1.00 24.28 N +ATOM 2886 N PRO A 391 48.717 35.186 31.699 1.00 27.70 N +ATOM 2887 CA PRO A 391 47.768 36.092 31.050 1.00 30.69 C +ATOM 2888 C PRO A 391 48.384 37.354 30.463 1.00 34.14 C +ATOM 2889 O PRO A 391 47.739 38.046 29.672 1.00 36.43 O +ATOM 2890 CB PRO A 391 46.786 36.453 32.169 1.00 29.05 C +ATOM 2891 CG PRO A 391 47.207 35.634 33.359 1.00 30.40 C +ATOM 2892 CD PRO A 391 48.642 35.324 33.160 1.00 27.82 C +ATOM 2893 N THR A 392 49.613 37.675 30.851 1.00 32.51 N +ATOM 2894 CA THR A 392 50.226 38.900 30.348 1.00 35.31 C +ATOM 2895 C THR A 392 51.225 38.694 29.223 1.00 36.27 C +ATOM 2896 O THR A 392 51.778 39.659 28.703 1.00 37.85 O +ATOM 2897 CB THR A 392 50.965 39.646 31.454 1.00 34.73 C +ATOM 2898 OG1 THR A 392 52.213 38.987 31.710 1.00 34.78 O +ATOM 2899 CG2 THR A 392 50.131 39.670 32.726 1.00 35.87 C +ATOM 2900 N GLN A 393 51.458 37.445 28.843 1.00 35.64 N +ATOM 2901 CA GLN A 393 52.428 37.160 27.802 1.00 36.11 C +ATOM 2902 C GLN A 393 51.900 36.140 26.799 1.00 37.24 C +ATOM 2903 O GLN A 393 51.114 35.263 27.142 1.00 39.29 O +ATOM 2904 CB GLN A 393 53.710 36.648 28.458 1.00 35.07 C +ATOM 2905 CG GLN A 393 54.873 36.444 27.528 1.00 33.67 C +ATOM 2906 CD GLN A 393 56.108 35.954 28.269 1.00 35.32 C +ATOM 2907 OE1 GLN A 393 56.157 34.817 28.741 1.00 35.61 O +ATOM 2908 NE2 GLN A 393 57.106 36.817 28.383 1.00 35.20 N +ATOM 2909 N LYS A 394 52.339 36.264 25.555 1.00 37.21 N +ATOM 2910 CA LYS A 394 51.915 35.358 24.496 1.00 37.52 C +ATOM 2911 C LYS A 394 52.304 33.900 24.790 1.00 37.76 C +ATOM 2912 O LYS A 394 53.292 33.628 25.485 1.00 36.76 O +ATOM 2913 CB LYS A 394 52.526 35.825 23.171 1.00 37.52 C +ATOM 2914 CG LYS A 394 54.027 36.098 23.252 1.00 38.40 C +ATOM 2915 CD LYS A 394 54.484 37.080 22.187 1.00 38.61 C +ATOM 2916 CE LYS A 394 55.986 37.330 22.289 1.00 39.54 C +ATOM 2917 NZ LYS A 394 56.445 38.382 21.347 1.00 35.89 N +ATOM 2918 OXT LYS A 394 51.642 33.001 24.249 1.00 41.99 O +TER 2919 LYS A 394 +END diff --git a/bench/main_benchmark/structures/SFB_FS_CLIC1_1K0MA_1K0NA/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_CLIC1_1K0MA_1K0NA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e728ff481dfe1fe9239fe0dd6ca552343129da36 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_CLIC1_1K0MA_1K0NA/state_a.pdb @@ -0,0 +1,1863 @@ +ATOM 1 N PRO A 6 2.368 7.020 25.056 1.00 20.05 N +ATOM 2 CA PRO A 6 3.731 6.644 25.515 1.00 19.12 C +ATOM 3 C PRO A 6 4.861 7.167 24.643 1.00 18.49 C +ATOM 4 O PRO A 6 4.654 7.328 23.470 1.00 21.84 O +ATOM 5 CB PRO A 6 3.725 5.091 25.418 1.00 19.71 C +ATOM 6 CG PRO A 6 2.214 4.690 25.618 1.00 20.73 C +ATOM 7 CD PRO A 6 1.468 5.839 24.936 1.00 20.84 C +ATOM 8 N GLN A 7 5.983 7.478 25.230 1.00 16.34 N +ATOM 9 CA GLN A 7 7.185 7.845 24.515 1.00 14.61 C +ATOM 10 C GLN A 7 7.601 6.740 23.523 1.00 11.49 C +ATOM 11 O GLN A 7 7.529 5.527 23.802 1.00 11.70 O +ATOM 12 CB GLN A 7 8.291 8.078 25.530 1.00 17.96 C +ATOM 13 CG GLN A 7 7.849 9.073 26.583 1.00 24.21 C +ATOM 14 CD GLN A 7 8.752 10.241 26.694 1.00 31.07 C +ATOM 15 OE1 GLN A 7 9.931 10.088 27.078 1.00 35.92 O +ATOM 16 NE2 GLN A 7 8.230 11.434 26.360 1.00 34.94 N +ATOM 17 N VAL A 8 7.972 7.181 22.344 1.00 8.66 N +ATOM 18 CA VAL A 8 8.351 6.291 21.271 1.00 8.23 C +ATOM 19 C VAL A 8 9.724 6.673 20.735 1.00 7.24 C +ATOM 20 O VAL A 8 9.930 7.816 20.305 1.00 7.96 O +ATOM 21 CB VAL A 8 7.319 6.317 20.119 1.00 9.11 C +ATOM 22 CG1 VAL A 8 7.728 5.321 19.026 1.00 11.60 C +ATOM 23 CG2 VAL A 8 5.957 6.014 20.640 1.00 10.62 C +ATOM 24 N GLU A 9 10.673 5.733 20.777 1.00 6.58 N +ATOM 25 CA GLU A 9 12.027 5.991 20.311 1.00 8.43 C +ATOM 26 C GLU A 9 12.548 4.847 19.490 1.00 7.45 C +ATOM 27 O GLU A 9 12.578 3.713 19.945 1.00 7.68 O +ATOM 28 CB GLU A 9 12.976 6.184 21.495 1.00 9.72 C +ATOM 29 CG AGLU A 9 14.293 6.848 21.154 0.50 12.18 C +ATOM 30 CG BGLU A 9 12.667 7.396 22.353 0.50 13.35 C +ATOM 31 CD AGLU A 9 14.908 7.610 22.282 0.50 16.91 C +ATOM 32 CD BGLU A 9 13.566 7.617 23.548 0.50 17.57 C +ATOM 33 OE1AGLU A 9 14.806 7.149 23.451 0.50 20.25 O +ATOM 34 OE1BGLU A 9 14.545 6.858 23.754 0.50 19.49 O +ATOM 35 OE2AGLU A 9 15.495 8.650 21.966 0.50 18.29 O +ATOM 36 OE2BGLU A 9 13.260 8.573 24.305 0.50 21.32 O +ATOM 37 N LEU A 10 12.925 5.163 18.256 1.00 5.80 N +ATOM 38 CA LEU A 10 13.496 4.211 17.288 1.00 6.04 C +ATOM 39 C LEU A 10 15.003 4.388 17.258 1.00 5.71 C +ATOM 40 O LEU A 10 15.467 5.511 17.010 1.00 7.98 O +ATOM 41 CB LEU A 10 12.892 4.453 15.903 1.00 6.81 C +ATOM 42 CG LEU A 10 13.392 3.543 14.805 1.00 7.71 C +ATOM 43 CD1 LEU A 10 12.952 2.107 15.006 1.00 8.83 C +ATOM 44 CD2 LEU A 10 12.983 4.045 13.417 1.00 8.21 C +ATOM 45 N PHE A 11 15.731 3.301 17.518 1.00 5.40 N +ATOM 46 CA PHE A 11 17.191 3.296 17.489 1.00 5.94 C +ATOM 47 C PHE A 11 17.606 2.532 16.236 1.00 6.52 C +ATOM 48 O PHE A 11 17.170 1.391 15.993 1.00 7.28 O +ATOM 49 CB PHE A 11 17.695 2.577 18.766 1.00 6.57 C +ATOM 50 CG PHE A 11 17.474 3.331 20.016 1.00 8.56 C +ATOM 51 CD1 PHE A 11 18.496 4.111 20.540 1.00 10.36 C +ATOM 52 CD2 PHE A 11 16.252 3.303 20.675 1.00 9.45 C +ATOM 53 CE1 PHE A 11 18.323 4.774 21.697 1.00 12.16 C +ATOM 54 CE2 PHE A 11 16.092 3.994 21.838 1.00 10.87 C +ATOM 55 CZ PHE A 11 17.112 4.729 22.336 1.00 12.37 C +ATOM 56 N VAL A 12 18.469 3.157 15.453 1.00 6.08 N +ATOM 57 CA VAL A 12 18.912 2.662 14.179 1.00 6.51 C +ATOM 58 C VAL A 12 20.419 2.722 14.049 1.00 6.57 C +ATOM 59 O VAL A 12 21.091 3.535 14.678 1.00 6.30 O +ATOM 60 CB VAL A 12 18.229 3.404 13.003 1.00 6.52 C +ATOM 61 CG1 VAL A 12 16.752 3.283 13.133 1.00 9.45 C +ATOM 62 CG2 VAL A 12 18.664 4.860 12.911 1.00 7.71 C +ATOM 63 N LYS A 13 20.966 1.835 13.239 1.00 7.31 N +ATOM 64 CA LYS A 13 22.414 1.820 13.015 1.00 7.83 C +ATOM 65 C LYS A 13 22.893 3.131 12.359 1.00 7.74 C +ATOM 66 O LYS A 13 22.335 3.585 11.385 1.00 7.93 O +ATOM 67 CB LYS A 13 22.780 0.611 12.148 1.00 9.67 C +ATOM 68 CG LYS A 13 24.272 0.450 11.957 1.00 11.20 C +ATOM 69 CD LYS A 13 24.706 -0.871 11.276 1.00 15.49 C +ATOM 70 CE LYS A 13 26.235 -0.885 10.909 1.00 16.79 C +ATOM 71 NZ LYS A 13 27.264 -0.882 12.027 1.00 20.33 N +ATOM 72 N ALA A 14 23.952 3.714 12.913 1.00 7.03 N +ATOM 73 CA ALA A 14 24.582 4.895 12.325 1.00 7.07 C +ATOM 74 C ALA A 14 25.419 4.521 11.083 1.00 7.73 C +ATOM 75 O ALA A 14 25.925 3.402 10.944 1.00 8.99 O +ATOM 76 CB ALA A 14 25.481 5.540 13.380 1.00 6.63 C +ATOM 77 N GLY A 15 25.634 5.505 10.237 1.00 6.84 N +ATOM 78 CA GLY A 15 26.416 5.390 9.041 1.00 8.18 C +ATOM 79 C GLY A 15 27.890 5.630 9.304 1.00 7.43 C +ATOM 80 O GLY A 15 28.356 5.525 10.413 1.00 6.27 O +ATOM 81 N SER A 16 28.604 5.933 8.244 1.00 8.03 N +ATOM 82 CA SER A 16 30.046 5.984 8.194 1.00 8.82 C +ATOM 83 C SER A 16 30.676 6.906 9.204 1.00 8.36 C +ATOM 84 O SER A 16 31.807 6.662 9.600 1.00 11.56 O +ATOM 85 CB SER A 16 30.528 6.380 6.769 1.00 10.49 C +ATOM 86 OG SER A 16 30.024 7.649 6.310 1.00 14.86 O +ATOM 87 N ASP A 17 30.015 8.002 9.553 1.00 6.32 N +ATOM 88 CA ASP A 17 30.563 8.972 10.509 1.00 6.54 C +ATOM 89 C ASP A 17 30.108 8.774 11.955 1.00 5.57 C +ATOM 90 O ASP A 17 30.413 9.560 12.819 1.00 6.86 O +ATOM 91 CB ASP A 17 30.267 10.398 10.042 1.00 6.73 C +ATOM 92 CG ASP A 17 28.826 10.773 10.040 1.00 8.49 C +ATOM 93 OD1 ASP A 17 27.921 9.977 10.394 1.00 7.53 O +ATOM 94 OD2 ASP A 17 28.496 11.918 9.607 1.00 13.31 O +ATOM 95 N GLY A 18 29.384 7.685 12.223 1.00 5.45 N +ATOM 96 CA GLY A 18 28.881 7.403 13.539 1.00 5.82 C +ATOM 97 C GLY A 18 27.721 8.277 13.997 1.00 6.81 C +ATOM 98 O GLY A 18 27.337 8.179 15.131 1.00 7.49 O +ATOM 99 N ALA A 19 27.206 9.138 13.117 1.00 6.18 N +ATOM 100 CA ALA A 19 26.178 10.116 13.470 1.00 6.62 C +ATOM 101 C ALA A 19 24.931 10.031 12.603 1.00 6.73 C +ATOM 102 O ALA A 19 23.798 9.965 13.116 1.00 7.80 O +ATOM 103 CB ALA A 19 26.789 11.554 13.382 1.00 7.27 C +ATOM 104 N LYS A 20 25.092 10.048 11.280 1.00 6.85 N +ATOM 105 CA LYS A 20 23.926 9.957 10.393 1.00 8.07 C +ATOM 106 C LYS A 20 23.320 8.552 10.386 1.00 8.26 C +ATOM 107 O LYS A 20 23.938 7.614 10.853 1.00 8.09 O +ATOM 108 CB LYS A 20 24.362 10.288 8.976 1.00 9.31 C +ATOM 109 CG LYS A 20 25.248 9.226 8.400 1.00 12.39 C +ATOM 110 CD LYS A 20 26.055 9.695 7.281 1.00 16.83 C +ATOM 111 CE LYS A 20 25.154 10.235 6.215 1.00 20.20 C +ATOM 112 NZ LYS A 20 25.949 10.794 5.056 1.00 25.24 N +ATOM 113 N ILE A 21 22.096 8.419 9.896 1.00 8.89 N +ATOM 114 CA ILE A 21 21.508 7.095 9.704 1.00 8.76 C +ATOM 115 C ILE A 21 22.289 6.363 8.598 1.00 9.28 C +ATOM 116 O ILE A 21 22.556 6.893 7.550 1.00 9.79 O +ATOM 117 CB ILE A 21 20.015 7.172 9.345 1.00 9.33 C +ATOM 118 CG1 ILE A 21 19.180 7.866 10.439 1.00 9.31 C +ATOM 119 CG2 ILE A 21 19.461 5.775 9.092 1.00 10.82 C +ATOM 120 CD1 ILE A 21 17.745 8.037 10.036 1.00 12.36 C +ATOM 121 N GLY A 22 22.616 5.138 8.907 1.00 8.69 N +ATOM 122 CA GLY A 22 23.264 4.240 7.970 1.00 7.55 C +ATOM 123 C GLY A 22 22.334 3.614 6.955 1.00 8.05 C +ATOM 124 O GLY A 22 21.115 3.556 7.151 1.00 9.41 O +ATOM 125 N ASN A 23 22.901 3.129 5.872 1.00 8.21 N +ATOM 126 CA ASN A 23 22.173 2.306 4.947 1.00 8.22 C +ATOM 127 C ASN A 23 21.595 1.094 5.674 1.00 8.93 C +ATOM 128 O ASN A 23 22.315 0.374 6.357 1.00 11.56 O +ATOM 129 CB ASN A 23 23.123 1.759 3.886 1.00 9.39 C +ATOM 130 CG ASN A 23 22.414 0.853 2.906 1.00 12.96 C +ATOM 131 OD1 ASN A 23 22.555 -0.377 2.970 1.00 15.59 O +ATOM 132 ND2 ASN A 23 21.624 1.438 2.084 1.00 12.19 N +ATOM 133 N CYS A 24 20.314 0.922 5.589 1.00 9.33 N +ATOM 134 CA CYS A 24 19.627 -0.214 6.220 1.00 11.04 C +ATOM 135 C CYS A 24 18.165 -0.124 5.886 1.00 9.94 C +ATOM 136 O CYS A 24 17.465 0.750 6.385 1.00 12.29 O +ATOM 137 CB CYS A 24 19.713 -0.154 7.744 1.00 11.99 C +ATOM 138 SG CYS A 24 18.956 -1.535 8.622 1.00 18.50 S +ATOM 139 N PRO A 25 17.670 -0.989 5.022 1.00 8.49 N +ATOM 140 CA PRO A 25 16.289 -0.867 4.619 1.00 9.36 C +ATOM 141 C PRO A 25 15.295 -1.103 5.738 1.00 9.12 C +ATOM 142 O PRO A 25 14.175 -0.625 5.621 1.00 9.53 O +ATOM 143 CB PRO A 25 16.158 -1.854 3.478 1.00 10.80 C +ATOM 144 CG PRO A 25 17.226 -2.744 3.641 1.00 9.75 C +ATOM 145 CD PRO A 25 18.334 -2.081 4.324 1.00 8.49 C +ATOM 146 N PHE A 26 15.696 -1.800 6.792 1.00 8.44 N +ATOM 147 CA PHE A 26 14.816 -2.014 7.951 1.00 8.98 C +ATOM 148 C PHE A 26 14.646 -0.735 8.761 1.00 8.40 C +ATOM 149 O PHE A 26 13.514 -0.398 9.209 1.00 9.04 O +ATOM 150 CB PHE A 26 15.425 -3.131 8.804 1.00 11.44 C +ATOM 151 CG PHE A 26 15.681 -4.380 7.992 1.00 16.69 C +ATOM 152 CD1 PHE A 26 14.642 -5.218 7.716 1.00 22.34 C +ATOM 153 CD2 PHE A 26 16.914 -4.608 7.324 1.00 21.40 C +ATOM 154 CE1 PHE A 26 14.838 -6.340 6.904 1.00 26.03 C +ATOM 155 CE2 PHE A 26 17.109 -5.701 6.505 1.00 24.34 C +ATOM 156 CZ PHE A 26 16.076 -6.565 6.298 1.00 26.28 C +ATOM 157 N SER A 27 15.727 0.016 8.905 1.00 9.27 N +ATOM 158 CA SER A 27 15.652 1.281 9.610 1.00 9.75 C +ATOM 159 C SER A 27 14.717 2.249 8.898 1.00 9.23 C +ATOM 160 O SER A 27 13.849 2.878 9.523 1.00 9.57 O +ATOM 161 CB SER A 27 17.025 1.920 9.537 1.00 9.44 C +ATOM 162 OG SER A 27 17.964 1.199 10.250 1.00 10.28 O +ATOM 163 N GLN A 28 14.833 2.351 7.576 1.00 8.42 N +ATOM 164 CA GLN A 28 14.003 3.267 6.842 1.00 7.78 C +ATOM 165 C GLN A 28 12.552 2.830 6.877 1.00 6.98 C +ATOM 166 O GLN A 28 11.665 3.665 7.026 1.00 7.30 O +ATOM 167 CB GLN A 28 14.540 3.440 5.416 1.00 7.69 C +ATOM 168 CG GLN A 28 13.742 4.445 4.666 1.00 8.10 C +ATOM 169 CD GLN A 28 14.234 4.772 3.274 1.00 9.21 C +ATOM 170 OE1 GLN A 28 15.176 4.151 2.779 1.00 10.09 O +ATOM 171 NE2 GLN A 28 13.576 5.715 2.624 1.00 8.06 N +ATOM 172 N ARG A 29 12.306 1.514 6.751 1.00 5.72 N +ATOM 173 CA ARG A 29 10.958 1.013 6.849 1.00 6.79 C +ATOM 174 C ARG A 29 10.251 1.484 8.104 1.00 6.69 C +ATOM 175 O ARG A 29 9.122 1.972 8.070 1.00 6.70 O +ATOM 176 CB ARG A 29 11.001 -0.530 6.808 1.00 6.94 C +ATOM 177 CG ARG A 29 9.720 -1.265 6.982 1.00 7.74 C +ATOM 178 CD ARG A 29 10.068 -2.785 6.942 1.00 10.00 C +ATOM 179 NE ARG A 29 8.963 -3.574 7.347 1.00 13.39 N +ATOM 180 CZ ARG A 29 9.033 -4.894 7.492 1.00 13.90 C +ATOM 181 NH1 ARG A 29 10.159 -5.495 7.283 1.00 13.29 N +ATOM 182 NH2 ARG A 29 7.985 -5.572 7.915 1.00 15.05 N +ATOM 183 N LEU A 30 10.868 1.307 9.262 1.00 6.89 N +ATOM 184 CA LEU A 30 10.258 1.653 10.528 1.00 7.13 C +ATOM 185 C LEU A 30 10.104 3.171 10.696 1.00 7.22 C +ATOM 186 O LEU A 30 9.127 3.640 11.252 1.00 7.35 O +ATOM 187 CB LEU A 30 11.027 1.052 11.688 1.00 7.00 C +ATOM 188 CG LEU A 30 10.993 -0.477 11.751 1.00 8.67 C +ATOM 189 CD1 LEU A 30 11.835 -0.957 12.942 1.00 9.94 C +ATOM 190 CD2 LEU A 30 9.607 -1.041 11.814 1.00 8.47 C +ATOM 191 N PHE A 31 11.082 3.946 10.212 1.00 6.89 N +ATOM 192 CA PHE A 31 10.978 5.414 10.203 1.00 7.45 C +ATOM 193 C PHE A 31 9.726 5.799 9.418 1.00 7.23 C +ATOM 194 O PHE A 31 8.928 6.665 9.880 1.00 7.43 O +ATOM 195 CB PHE A 31 12.320 5.959 9.657 1.00 8.16 C +ATOM 196 CG PHE A 31 12.583 7.440 9.856 1.00 7.55 C +ATOM 197 CD1 PHE A 31 13.873 7.902 9.535 1.00 8.00 C +ATOM 198 CD2 PHE A 31 11.629 8.350 10.289 1.00 7.78 C +ATOM 199 CE1 PHE A 31 14.186 9.252 9.647 1.00 8.71 C +ATOM 200 CE2 PHE A 31 11.985 9.717 10.423 1.00 7.72 C +ATOM 201 CZ PHE A 31 13.265 10.152 10.083 1.00 7.73 C +ATOM 202 N MET A 32 9.558 5.204 8.224 1.00 6.40 N +ATOM 203 CA MET A 32 8.382 5.486 7.419 1.00 7.08 C +ATOM 204 C MET A 32 7.064 5.120 8.134 1.00 6.64 C +ATOM 205 O MET A 32 6.118 5.916 8.092 1.00 6.67 O +ATOM 206 CB MET A 32 8.440 4.797 6.075 1.00 6.88 C +ATOM 207 CG MET A 32 9.497 5.361 5.149 1.00 7.11 C +ATOM 208 SD MET A 32 9.539 4.552 3.521 1.00 7.94 S +ATOM 209 CE MET A 32 7.933 5.033 2.854 1.00 9.17 C +ATOM 210 N VAL A 33 7.017 3.953 8.788 1.00 5.95 N +ATOM 211 CA VAL A 33 5.805 3.553 9.473 1.00 6.04 C +ATOM 212 C VAL A 33 5.441 4.595 10.559 1.00 5.96 C +ATOM 213 O VAL A 33 4.294 5.024 10.660 1.00 6.43 O +ATOM 214 CB VAL A 33 5.971 2.168 10.117 1.00 7.09 C +ATOM 215 CG1 VAL A 33 4.804 1.846 11.017 1.00 8.16 C +ATOM 216 CG2 VAL A 33 6.124 1.064 9.016 1.00 7.43 C +ATOM 217 N LEU A 34 6.409 4.990 11.394 1.00 6.11 N +ATOM 218 CA LEU A 34 6.184 5.955 12.463 1.00 6.34 C +ATOM 219 C LEU A 34 5.715 7.282 11.899 1.00 6.54 C +ATOM 220 O LEU A 34 4.782 7.895 12.448 1.00 7.03 O +ATOM 221 CB LEU A 34 7.432 6.088 13.305 1.00 7.53 C +ATOM 222 CG LEU A 34 7.706 4.856 14.171 1.00 7.60 C +ATOM 223 CD1 LEU A 34 9.151 4.897 14.719 1.00 8.95 C +ATOM 224 CD2 LEU A 34 6.710 4.759 15.328 1.00 8.26 C +ATOM 225 N TRP A 35 6.370 7.753 10.844 1.00 6.20 N +ATOM 226 CA TRP A 35 5.989 9.010 10.211 1.00 6.65 C +ATOM 227 C TRP A 35 4.547 8.962 9.726 1.00 6.51 C +ATOM 228 O TRP A 35 3.706 9.837 10.063 1.00 6.43 O +ATOM 229 CB TRP A 35 6.937 9.308 9.068 1.00 7.71 C +ATOM 230 CG TRP A 35 6.897 10.706 8.515 1.00 7.70 C +ATOM 231 CD1 TRP A 35 5.785 11.522 8.320 1.00 9.03 C +ATOM 232 CD2 TRP A 35 8.010 11.441 8.013 1.00 7.83 C +ATOM 233 NE1 TRP A 35 6.172 12.715 7.749 1.00 8.09 N +ATOM 234 CE2 TRP A 35 7.523 12.677 7.526 1.00 8.21 C +ATOM 235 CE3 TRP A 35 9.374 11.159 7.872 1.00 7.81 C +ATOM 236 CZ2 TRP A 35 8.359 13.638 6.984 1.00 8.74 C +ATOM 237 CZ3 TRP A 35 10.220 12.146 7.321 1.00 8.38 C +ATOM 238 CH2 TRP A 35 9.708 13.368 6.910 1.00 9.65 C +ATOM 239 N LEU A 36 4.186 7.883 9.031 1.00 5.94 N +ATOM 240 CA LEU A 36 2.837 7.734 8.469 1.00 6.16 C +ATOM 241 C LEU A 36 1.744 7.603 9.535 1.00 6.57 C +ATOM 242 O LEU A 36 0.576 7.954 9.324 1.00 7.61 O +ATOM 243 CB LEU A 36 2.780 6.573 7.472 1.00 6.77 C +ATOM 244 CG LEU A 36 3.542 6.810 6.185 1.00 8.34 C +ATOM 245 CD1 LEU A 36 3.747 5.491 5.448 1.00 9.44 C +ATOM 246 CD2 LEU A 36 2.828 7.823 5.301 1.00 8.80 C +ATOM 247 N LYS A 37 2.104 7.072 10.708 1.00 6.78 N +ATOM 248 CA LYS A 37 1.129 6.976 11.787 1.00 7.07 C +ATOM 249 C LYS A 37 0.768 8.320 12.387 1.00 7.73 C +ATOM 250 O LYS A 37 -0.309 8.460 12.920 1.00 8.14 O +ATOM 251 CB LYS A 37 1.631 6.043 12.900 1.00 7.50 C +ATOM 252 CG LYS A 37 1.615 4.573 12.553 1.00 8.24 C +ATOM 253 CD LYS A 37 0.170 4.019 12.430 1.00 6.90 C +ATOM 254 CE LYS A 37 0.139 2.483 12.252 1.00 7.72 C +ATOM 255 NZ LYS A 37 -1.261 1.954 12.175 1.00 7.29 N +ATOM 256 N GLY A 38 1.646 9.294 12.305 1.00 6.71 N +ATOM 257 CA GLY A 38 1.393 10.595 12.917 1.00 7.43 C +ATOM 258 C GLY A 38 1.718 10.710 14.396 1.00 8.43 C +ATOM 259 O GLY A 38 1.451 11.746 15.002 1.00 9.72 O +ATOM 260 N VAL A 39 2.271 9.664 14.966 1.00 7.65 N +ATOM 261 CA VAL A 39 2.667 9.639 16.356 1.00 7.54 C +ATOM 262 C VAL A 39 3.918 10.538 16.553 1.00 7.75 C +ATOM 263 O VAL A 39 4.704 10.735 15.640 1.00 8.25 O +ATOM 264 CB VAL A 39 2.982 8.169 16.776 1.00 8.63 C +ATOM 265 CG1 VAL A 39 4.217 7.618 16.085 1.00 8.33 C +ATOM 266 CG2 VAL A 39 3.043 8.028 18.287 1.00 8.67 C +ATOM 267 N THR A 40 4.094 11.068 17.762 1.00 7.59 N +ATOM 268 CA THR A 40 5.323 11.768 18.120 1.00 8.63 C +ATOM 269 C THR A 40 6.399 10.748 18.414 1.00 8.05 C +ATOM 270 O THR A 40 6.154 9.814 19.212 1.00 8.42 O +ATOM 271 CB THR A 40 5.077 12.638 19.350 1.00 8.62 C +ATOM 272 OG1 THR A 40 4.043 13.572 19.051 1.00 12.30 O +ATOM 273 CG2 THR A 40 6.312 13.425 19.746 1.00 10.27 C +ATOM 274 N PHE A 41 7.576 10.845 17.792 1.00 6.43 N +ATOM 275 CA PHE A 41 8.633 9.863 18.008 1.00 7.30 C +ATOM 276 C PHE A 41 10.004 10.464 17.849 1.00 6.68 C +ATOM 277 O PHE A 41 10.190 11.441 17.157 1.00 6.77 O +ATOM 278 CB PHE A 41 8.470 8.640 17.061 1.00 6.87 C +ATOM 279 CG PHE A 41 8.682 8.936 15.616 1.00 7.09 C +ATOM 280 CD1 PHE A 41 9.855 8.601 15.000 1.00 8.00 C +ATOM 281 CD2 PHE A 41 7.709 9.591 14.866 1.00 6.78 C +ATOM 282 CE1 PHE A 41 10.064 8.930 13.640 1.00 7.34 C +ATOM 283 CE2 PHE A 41 7.910 9.855 13.529 1.00 7.88 C +ATOM 284 CZ PHE A 41 9.080 9.521 12.929 1.00 8.12 C +ATOM 285 N ASN A 42 10.973 9.817 18.456 1.00 5.98 N +ATOM 286 CA ASN A 42 12.382 10.121 18.295 1.00 6.84 C +ATOM 287 C ASN A 42 13.054 9.076 17.413 1.00 6.43 C +ATOM 288 O ASN A 42 12.759 7.867 17.540 1.00 7.99 O +ATOM 289 CB ASN A 42 13.138 10.075 19.625 1.00 8.64 C +ATOM 290 CG ASN A 42 12.767 11.088 20.647 1.00 11.98 C +ATOM 291 OD1 ASN A 42 12.143 12.108 20.424 1.00 10.57 O +ATOM 292 ND2 ASN A 42 13.347 10.857 21.856 1.00 17.03 N +ATOM 293 N VAL A 43 14.020 9.500 16.595 1.00 5.19 N +ATOM 294 CA VAL A 43 14.961 8.598 15.953 1.00 6.30 C +ATOM 295 C VAL A 43 16.368 8.951 16.432 1.00 6.95 C +ATOM 296 O VAL A 43 16.754 10.114 16.387 1.00 8.43 O +ATOM 297 CB VAL A 43 14.924 8.720 14.426 1.00 7.60 C +ATOM 298 CG1 VAL A 43 15.894 7.737 13.808 1.00 9.09 C +ATOM 299 CG2 VAL A 43 13.518 8.533 13.901 1.00 8.55 C +ATOM 300 N THR A 44 17.093 7.939 16.858 1.00 6.90 N +ATOM 301 CA THR A 44 18.433 8.073 17.390 1.00 8.61 C +ATOM 302 C THR A 44 19.339 7.074 16.707 1.00 7.81 C +ATOM 303 O THR A 44 18.967 5.909 16.570 1.00 8.16 O +ATOM 304 CB THR A 44 18.431 7.735 18.942 1.00 10.65 C +ATOM 305 OG1 THR A 44 17.628 8.756 19.590 1.00 17.42 O +ATOM 306 CG2 THR A 44 19.838 7.846 19.497 1.00 15.38 C +ATOM 307 N THR A 45 20.542 7.486 16.364 1.00 7.10 N +ATOM 308 CA THR A 45 21.490 6.568 15.755 1.00 7.24 C +ATOM 309 C THR A 45 22.456 5.957 16.757 1.00 7.89 C +ATOM 310 O THR A 45 22.776 6.523 17.789 1.00 8.54 O +ATOM 311 CB THR A 45 22.245 7.264 14.632 1.00 7.54 C +ATOM 312 OG1 THR A 45 22.971 8.376 15.185 1.00 8.54 O +ATOM 313 CG2 THR A 45 21.310 7.790 13.579 1.00 8.66 C +ATOM 314 N VAL A 46 22.971 4.801 16.393 1.00 7.21 N +ATOM 315 CA VAL A 46 23.856 3.996 17.219 1.00 7.23 C +ATOM 316 C VAL A 46 25.088 3.613 16.414 1.00 7.52 C +ATOM 317 O VAL A 46 24.996 2.906 15.415 1.00 7.85 O +ATOM 318 CB VAL A 46 23.122 2.700 17.678 1.00 7.55 C +ATOM 319 CG1 VAL A 46 24.060 1.791 18.428 1.00 8.67 C +ATOM 320 CG2 VAL A 46 21.907 3.031 18.536 1.00 9.64 C +ATOM 321 N ASP A 47 26.235 4.068 16.868 1.00 7.80 N +ATOM 322 CA ASP A 47 27.507 3.646 16.296 1.00 8.17 C +ATOM 323 C ASP A 47 27.858 2.309 16.967 1.00 9.46 C +ATOM 324 O ASP A 47 28.199 2.289 18.126 1.00 9.37 O +ATOM 325 CB ASP A 47 28.584 4.708 16.581 1.00 8.24 C +ATOM 326 CG ASP A 47 29.929 4.361 15.958 1.00 10.56 C +ATOM 327 OD1 ASP A 47 30.126 3.186 15.576 1.00 11.55 O +ATOM 328 OD2 ASP A 47 30.823 5.220 15.827 1.00 11.37 O +ATOM 329 N THR A 48 27.820 1.215 16.221 1.00 9.84 N +ATOM 330 CA THR A 48 28.064 -0.105 16.832 1.00 12.55 C +ATOM 331 C THR A 48 29.483 -0.277 17.383 1.00 13.39 C +ATOM 332 O THR A 48 29.702 -1.143 18.232 1.00 14.78 O +ATOM 333 CB THR A 48 27.731 -1.238 15.859 1.00 12.99 C +ATOM 334 OG1 THR A 48 28.487 -1.122 14.640 1.00 15.32 O +ATOM 335 CG2 THR A 48 26.308 -1.226 15.474 1.00 16.16 C +ATOM 336 N LYS A 49 30.403 0.587 16.982 1.00 13.53 N +ATOM 337 CA LYS A 49 31.781 0.524 17.464 1.00 14.60 C +ATOM 338 C LYS A 49 31.985 1.350 18.710 1.00 13.65 C +ATOM 339 O LYS A 49 33.049 1.264 19.339 1.00 14.87 O +ATOM 340 CB LYS A 49 32.750 1.002 16.381 1.00 16.14 C +ATOM 341 CG LYS A 49 32.702 0.184 15.100 1.00 19.99 C +ATOM 342 CD LYS A 49 33.280 -1.205 15.310 1.00 25.90 C +ATOM 343 CE LYS A 49 33.232 -2.023 14.030 1.00 28.65 C +ATOM 344 NZ LYS A 49 33.796 -3.388 14.221 1.00 30.58 N +ATOM 345 N ARG A 50 30.986 2.153 19.078 1.00 12.58 N +ATOM 346 CA ARG A 50 31.052 2.975 20.264 1.00 13.57 C +ATOM 347 C ARG A 50 29.624 3.308 20.708 1.00 12.57 C +ATOM 348 O ARG A 50 29.138 4.433 20.540 1.00 13.77 O +ATOM 349 CB ARG A 50 31.905 4.236 20.012 1.00 15.07 C +ATOM 350 CG ARG A 50 31.965 5.181 21.187 1.00 21.02 C +ATOM 351 CD ARG A 50 33.310 5.673 21.607 1.00 26.92 C +ATOM 352 NE ARG A 50 33.076 6.754 22.568 1.00 31.67 N +ATOM 353 CZ ARG A 50 33.856 7.080 23.595 1.00 34.76 C +ATOM 354 NH1 ARG A 50 35.007 6.453 23.822 1.00 36.11 N +ATOM 355 NH2 ARG A 50 33.476 8.074 24.395 1.00 36.10 N +ATOM 356 N ARG A 51 28.957 2.294 21.264 1.00 12.17 N +ATOM 357 CA ARG A 51 27.575 2.440 21.736 1.00 11.33 C +ATOM 358 C ARG A 51 27.563 3.210 23.065 1.00 12.97 C +ATOM 359 O ARG A 51 28.469 3.069 23.920 1.00 13.12 O +ATOM 360 CB ARG A 51 26.896 1.073 21.916 1.00 10.46 C +ATOM 361 CG ARG A 51 26.839 0.205 20.677 1.00 8.63 C +ATOM 362 CD ARG A 51 25.769 -0.851 20.720 1.00 8.61 C +ATOM 363 NE ARG A 51 25.996 -1.790 21.809 1.00 8.74 N +ATOM 364 CZ ARG A 51 25.053 -2.506 22.389 1.00 8.52 C +ATOM 365 NH1 ARG A 51 23.780 -2.359 22.045 1.00 11.14 N +ATOM 366 NH2 ARG A 51 25.376 -3.347 23.362 1.00 7.54 N +ATOM 367 N THR A 52 26.573 4.061 23.239 1.00 13.91 N +ATOM 368 CA THR A 52 26.435 4.813 24.481 1.00 15.50 C +ATOM 369 C THR A 52 26.015 3.885 25.625 1.00 16.14 C +ATOM 370 O THR A 52 25.444 2.805 25.426 1.00 14.89 O +ATOM 371 CB THR A 52 25.369 5.911 24.363 1.00 16.47 C +ATOM 372 OG1 THR A 52 24.074 5.338 24.109 1.00 17.57 O +ATOM 373 CG2 THR A 52 25.611 6.857 23.168 1.00 17.54 C +ATOM 374 N GLU A 53 26.275 4.329 26.843 1.00 17.81 N +ATOM 375 CA GLU A 53 25.978 3.547 28.027 1.00 19.53 C +ATOM 376 C GLU A 53 24.474 3.237 28.082 1.00 18.49 C +ATOM 377 O GLU A 53 24.051 2.109 28.387 1.00 18.00 O +ATOM 378 CB GLU A 53 26.471 4.360 29.242 1.00 21.53 C +ATOM 379 CG AGLU A 53 27.967 4.518 29.398 0.50 23.33 C +ATOM 380 CG BGLU A 53 25.614 5.539 29.652 0.50 23.86 C +ATOM 381 CD AGLU A 53 28.385 5.307 30.618 0.50 26.90 C +ATOM 382 CD BGLU A 53 26.254 6.384 30.754 0.50 27.24 C +ATOM 383 OE1AGLU A 53 27.520 5.639 31.468 0.50 28.74 O +ATOM 384 OE1BGLU A 53 27.332 6.012 31.262 0.50 29.29 O +ATOM 385 OE2AGLU A 53 29.597 5.594 30.707 0.50 28.31 O +ATOM 386 OE2BGLU A 53 25.681 7.430 31.114 0.50 28.98 O +ATOM 387 N THR A 54 23.671 4.225 27.708 1.00 17.78 N +ATOM 388 CA THR A 54 22.228 4.073 27.741 1.00 18.36 C +ATOM 389 C THR A 54 21.813 2.972 26.788 1.00 15.42 C +ATOM 390 O THR A 54 21.013 2.115 27.124 1.00 16.03 O +ATOM 391 CB THR A 54 21.544 5.392 27.314 1.00 19.48 C +ATOM 392 OG1 THR A 54 21.908 6.454 28.205 1.00 23.62 O +ATOM 393 CG2 THR A 54 20.040 5.300 27.388 1.00 22.05 C +ATOM 394 N VAL A 55 22.326 2.999 25.568 1.00 13.17 N +ATOM 395 CA VAL A 55 22.022 1.965 24.602 1.00 11.23 C +ATOM 396 C VAL A 55 22.514 0.568 25.021 1.00 11.18 C +ATOM 397 O VAL A 55 21.825 -0.419 24.864 1.00 10.07 O +ATOM 398 CB VAL A 55 22.502 2.382 23.185 1.00 11.73 C +ATOM 399 CG1 VAL A 55 22.461 1.226 22.252 1.00 12.54 C +ATOM 400 CG2 VAL A 55 21.641 3.558 22.661 1.00 12.74 C +ATOM 401 N GLN A 56 23.713 0.469 25.611 1.00 9.45 N +ATOM 402 CA GLN A 56 24.220 -0.805 26.083 1.00 9.81 C +ATOM 403 C GLN A 56 23.296 -1.457 27.126 1.00 9.76 C +ATOM 404 O GLN A 56 23.163 -2.672 27.180 1.00 8.74 O +ATOM 405 CB GLN A 56 25.641 -0.607 26.611 1.00 9.92 C +ATOM 406 CG GLN A 56 26.671 -0.323 25.517 1.00 9.25 C +ATOM 407 CD GLN A 56 28.037 -0.091 26.092 1.00 11.25 C +ATOM 408 OE1 GLN A 56 28.148 0.452 27.192 1.00 11.68 O +ATOM 409 NE2 GLN A 56 29.060 -0.565 25.408 1.00 11.87 N +ATOM 410 N LYS A 57 22.663 -0.638 27.953 1.00 10.86 N +ATOM 411 CA LYS A 57 21.740 -1.125 28.975 1.00 12.30 C +ATOM 412 C LYS A 57 20.368 -1.502 28.399 1.00 12.95 C +ATOM 413 O LYS A 57 19.758 -2.501 28.807 1.00 13.87 O +ATOM 414 CB LYS A 57 21.564 -0.040 30.035 1.00 13.35 C +ATOM 415 CG LYS A 57 22.839 0.339 30.777 1.00 15.67 C +ATOM 416 CD LYS A 57 22.529 1.243 31.970 1.00 20.88 C +ATOM 417 CE LYS A 57 23.596 2.244 32.208 1.00 23.04 C +ATOM 418 NZ LYS A 57 23.358 3.060 33.437 1.00 23.76 N +ATOM 419 N LEU A 58 19.907 -0.732 27.424 1.00 13.21 N +ATOM 420 CA LEU A 58 18.599 -0.985 26.788 1.00 13.99 C +ATOM 421 C LEU A 58 18.594 -2.197 25.921 1.00 15.30 C +ATOM 422 O LEU A 58 17.596 -2.928 25.849 1.00 15.93 O +ATOM 423 CB LEU A 58 18.203 0.172 25.901 1.00 15.01 C +ATOM 424 CG LEU A 58 17.712 1.434 26.595 1.00 16.62 C +ATOM 425 CD1 LEU A 58 17.424 2.466 25.530 1.00 17.38 C +ATOM 426 CD2 LEU A 58 16.500 1.172 27.481 1.00 18.01 C +ATOM 427 N CYS A 59 19.677 -2.405 25.202 1.00 14.74 N +ATOM 428 CA CYS A 59 19.727 -3.480 24.235 1.00 14.85 C +ATOM 429 C CYS A 59 21.060 -4.188 24.365 1.00 15.50 C +ATOM 430 O CYS A 59 21.973 -4.004 23.563 1.00 15.60 O +ATOM 431 CB CYS A 59 19.482 -2.943 22.823 1.00 15.91 C +ATOM 432 SG ACYS A 59 19.465 -4.220 21.524 0.50 13.80 S +ATOM 433 SG BCYS A 59 18.831 -4.279 21.851 0.50 14.85 S +ATOM 434 N PRO A 60 21.199 -4.996 25.395 1.00 16.02 N +ATOM 435 CA PRO A 60 22.485 -5.610 25.663 1.00 16.81 C +ATOM 436 C PRO A 60 22.966 -6.504 24.561 1.00 17.74 C +ATOM 437 O PRO A 60 24.188 -6.661 24.424 1.00 20.22 O +ATOM 438 CB PRO A 60 22.220 -6.497 26.882 1.00 17.29 C +ATOM 439 CG PRO A 60 20.874 -6.316 27.288 1.00 16.58 C +ATOM 440 CD PRO A 60 20.191 -5.392 26.369 1.00 15.35 C +ATOM 441 N GLY A 61 22.023 -7.139 23.871 1.00 16.46 N +ATOM 442 CA GLY A 61 22.282 -8.059 22.794 1.00 15.35 C +ATOM 443 C GLY A 61 22.751 -7.467 21.496 1.00 15.01 C +ATOM 444 O GLY A 61 23.224 -8.219 20.646 1.00 17.00 O +ATOM 445 N GLY A 62 22.637 -6.148 21.319 1.00 13.81 N +ATOM 446 CA GLY A 62 23.137 -5.512 20.097 1.00 14.20 C +ATOM 447 C GLY A 62 22.226 -5.524 18.878 1.00 14.15 C +ATOM 448 O GLY A 62 22.577 -5.097 17.774 1.00 15.66 O +ATOM 449 N GLU A 63 21.002 -5.976 19.059 1.00 13.30 N +ATOM 450 CA GLU A 63 20.051 -5.984 17.962 1.00 13.22 C +ATOM 451 C GLU A 63 19.722 -4.559 17.469 1.00 12.15 C +ATOM 452 O GLU A 63 19.497 -3.675 18.279 1.00 14.45 O +ATOM 453 CB GLU A 63 18.747 -6.609 18.433 1.00 13.48 C +ATOM 454 CG GLU A 63 18.806 -8.094 18.780 1.00 15.66 C +ATOM 455 CD GLU A 63 19.095 -8.409 20.240 1.00 19.03 C +ATOM 456 OE1 GLU A 63 19.522 -7.524 21.000 1.00 16.37 O +ATOM 457 OE2 GLU A 63 18.892 -9.611 20.624 1.00 24.06 O +ATOM 458 N LEU A 64 19.653 -4.343 16.172 1.00 10.79 N +ATOM 459 CA LEU A 64 19.305 -3.030 15.582 1.00 10.11 C +ATOM 460 C LEU A 64 18.548 -3.327 14.307 1.00 9.45 C +ATOM 461 O LEU A 64 18.919 -4.260 13.571 1.00 12.20 O +ATOM 462 CB LEU A 64 20.540 -2.206 15.176 1.00 11.47 C +ATOM 463 CG LEU A 64 21.254 -1.454 16.286 1.00 12.62 C +ATOM 464 CD1 LEU A 64 22.555 -0.918 15.749 1.00 12.15 C +ATOM 465 CD2 LEU A 64 20.438 -0.336 16.857 1.00 12.00 C +ATOM 466 N PRO A 65 17.504 -2.575 13.997 1.00 8.37 N +ATOM 467 CA PRO A 65 16.949 -1.501 14.819 1.00 9.06 C +ATOM 468 C PRO A 65 16.218 -2.058 16.034 1.00 8.84 C +ATOM 469 O PRO A 65 15.888 -3.221 16.112 1.00 10.33 O +ATOM 470 CB PRO A 65 15.957 -0.809 13.887 1.00 10.07 C +ATOM 471 CG PRO A 65 15.530 -1.869 12.883 1.00 10.93 C +ATOM 472 CD PRO A 65 16.751 -2.767 12.759 1.00 9.29 C +ATOM 473 N PHE A 66 16.006 -1.213 17.021 1.00 7.86 N +ATOM 474 CA PHE A 66 15.140 -1.571 18.115 1.00 8.11 C +ATOM 475 C PHE A 66 14.272 -0.387 18.464 1.00 7.81 C +ATOM 476 O PHE A 66 14.578 0.752 18.118 1.00 7.88 O +ATOM 477 CB PHE A 66 15.897 -2.188 19.349 1.00 8.79 C +ATOM 478 CG PHE A 66 16.759 -1.236 20.133 1.00 8.68 C +ATOM 479 CD1 PHE A 66 16.233 -0.530 21.210 1.00 10.79 C +ATOM 480 CD2 PHE A 66 18.137 -1.079 19.826 1.00 9.50 C +ATOM 481 CE1 PHE A 66 17.029 0.329 21.929 1.00 10.55 C +ATOM 482 CE2 PHE A 66 18.917 -0.215 20.571 1.00 9.31 C +ATOM 483 CZ PHE A 66 18.335 0.483 21.622 1.00 9.81 C +ATOM 484 N LEU A 67 13.175 -0.658 19.164 1.00 7.39 N +ATOM 485 CA LEU A 67 12.193 0.345 19.503 1.00 7.70 C +ATOM 486 C LEU A 67 11.925 0.334 20.993 1.00 6.50 C +ATOM 487 O LEU A 67 11.716 -0.730 21.584 1.00 8.36 O +ATOM 488 CB LEU A 67 10.870 0.075 18.765 1.00 9.82 C +ATOM 489 CG LEU A 67 9.794 1.156 19.006 1.00 11.29 C +ATOM 490 CD1 LEU A 67 9.795 2.120 17.857 1.00 14.55 C +ATOM 491 CD2 LEU A 67 8.439 0.546 19.171 1.00 14.73 C +ATOM 492 N LEU A 68 11.964 1.508 21.599 1.00 6.13 N +ATOM 493 CA LEU A 68 11.537 1.728 22.976 1.00 7.66 C +ATOM 494 C LEU A 68 10.140 2.327 22.943 1.00 7.24 C +ATOM 495 O LEU A 68 9.923 3.365 22.335 1.00 8.36 O +ATOM 496 CB LEU A 68 12.510 2.687 23.675 1.00 9.48 C +ATOM 497 CG LEU A 68 12.260 2.983 25.132 1.00 12.78 C +ATOM 498 CD1 LEU A 68 12.369 1.758 25.986 1.00 13.28 C +ATOM 499 CD2 LEU A 68 13.276 4.035 25.650 1.00 13.94 C +ATOM 500 N TYR A 69 9.195 1.645 23.547 1.00 6.44 N +ATOM 501 CA TYR A 69 7.789 2.064 23.633 1.00 6.95 C +ATOM 502 C TYR A 69 7.509 2.195 25.123 1.00 7.04 C +ATOM 503 O TYR A 69 7.460 1.187 25.838 1.00 7.08 O +ATOM 504 CB TYR A 69 6.828 1.072 22.980 1.00 8.33 C +ATOM 505 CG TYR A 69 5.427 1.609 22.830 1.00 8.26 C +ATOM 506 CD1 TYR A 69 5.062 2.380 21.745 1.00 10.82 C +ATOM 507 CD2 TYR A 69 4.447 1.406 23.800 1.00 9.78 C +ATOM 508 CE1 TYR A 69 3.798 2.868 21.607 1.00 11.94 C +ATOM 509 CE2 TYR A 69 3.166 1.946 23.650 1.00 11.50 C +ATOM 510 CZ TYR A 69 2.869 2.688 22.550 1.00 11.83 C +ATOM 511 OH TYR A 69 1.587 3.242 22.359 1.00 16.31 O +ATOM 512 N GLY A 70 7.407 3.414 25.644 1.00 8.09 N +ATOM 513 CA GLY A 70 7.368 3.596 27.103 1.00 9.84 C +ATOM 514 C GLY A 70 8.704 3.172 27.688 1.00 10.92 C +ATOM 515 O GLY A 70 9.732 3.678 27.295 1.00 13.15 O +ATOM 516 N THR A 71 8.689 2.160 28.554 1.00 11.55 N +ATOM 517 CA THR A 71 9.891 1.613 29.142 1.00 11.65 C +ATOM 518 C THR A 71 10.254 0.236 28.557 1.00 9.71 C +ATOM 519 O THR A 71 11.181 -0.430 29.013 1.00 11.93 O +ATOM 520 CB THR A 71 9.692 1.429 30.649 1.00 13.69 C +ATOM 521 OG1 THR A 71 8.540 0.614 30.890 1.00 15.28 O +ATOM 522 CG2 THR A 71 9.342 2.769 31.291 1.00 15.56 C +ATOM 523 N GLU A 72 9.537 -0.187 27.537 1.00 6.67 N +ATOM 524 CA GLU A 72 9.701 -1.537 27.017 1.00 6.37 C +ATOM 525 C GLU A 72 10.398 -1.590 25.660 1.00 5.61 C +ATOM 526 O GLU A 72 10.010 -0.857 24.734 1.00 6.12 O +ATOM 527 CB GLU A 72 8.325 -2.214 26.921 1.00 6.76 C +ATOM 528 CG GLU A 72 7.630 -2.315 28.266 1.00 6.96 C +ATOM 529 CD GLU A 72 6.214 -2.875 28.154 1.00 7.92 C +ATOM 530 OE1 GLU A 72 5.349 -2.239 27.526 1.00 9.29 O +ATOM 531 OE2 GLU A 72 5.945 -3.930 28.757 1.00 9.93 O +ATOM 532 N VAL A 73 11.415 -2.445 25.544 1.00 7.30 N +ATOM 533 CA VAL A 73 12.231 -2.585 24.348 1.00 8.48 C +ATOM 534 C VAL A 73 11.675 -3.695 23.460 1.00 7.33 C +ATOM 535 O VAL A 73 11.306 -4.798 23.927 1.00 9.18 O +ATOM 536 CB VAL A 73 13.683 -2.895 24.699 1.00 10.60 C +ATOM 537 CG1 VAL A 73 14.479 -3.259 23.399 1.00 11.93 C +ATOM 538 CG2 VAL A 73 14.296 -1.718 25.401 1.00 14.73 C +ATOM 539 N HIS A 74 11.526 -3.374 22.182 1.00 7.40 N +ATOM 540 CA HIS A 74 11.068 -4.311 21.147 1.00 7.39 C +ATOM 541 C HIS A 74 12.150 -4.517 20.102 1.00 7.79 C +ATOM 542 O HIS A 74 12.751 -3.534 19.683 1.00 8.07 O +ATOM 543 CB HIS A 74 9.849 -3.774 20.462 1.00 6.94 C +ATOM 544 CG HIS A 74 8.661 -3.608 21.346 1.00 6.89 C +ATOM 545 ND1 HIS A 74 7.558 -4.428 21.245 1.00 8.42 N +ATOM 546 CD2 HIS A 74 8.390 -2.713 22.331 1.00 7.29 C +ATOM 547 CE1 HIS A 74 6.655 -4.038 22.129 1.00 7.98 C +ATOM 548 NE2 HIS A 74 7.123 -2.980 22.785 1.00 6.78 N +ATOM 549 N THR A 75 12.464 -5.761 19.718 1.00 9.23 N +ATOM 550 CA THR A 75 13.413 -6.081 18.683 1.00 9.93 C +ATOM 551 C THR A 75 12.690 -6.924 17.600 1.00 10.01 C +ATOM 552 O THR A 75 11.555 -7.407 17.786 1.00 12.15 O +ATOM 553 CB THR A 75 14.624 -6.863 19.249 1.00 10.84 C +ATOM 554 OG1 THR A 75 14.186 -8.092 19.824 1.00 10.77 O +ATOM 555 CG2 THR A 75 15.327 -6.102 20.402 1.00 11.80 C +ATOM 556 N ASP A 76 13.359 -7.027 16.470 1.00 9.85 N +ATOM 557 CA ASP A 76 12.934 -7.730 15.278 1.00 10.24 C +ATOM 558 C ASP A 76 12.021 -6.800 14.473 1.00 9.83 C +ATOM 559 O ASP A 76 10.904 -6.478 14.894 1.00 9.68 O +ATOM 560 CB ASP A 76 12.228 -9.034 15.608 1.00 10.98 C +ATOM 561 CG ASP A 76 11.840 -9.827 14.386 1.00 13.13 C +ATOM 562 OD1 ASP A 76 12.144 -11.038 14.354 1.00 22.21 O +ATOM 563 OD2 ASP A 76 11.127 -9.413 13.471 1.00 15.54 O +ATOM 564 N THR A 77 12.501 -6.349 13.326 1.00 9.39 N +ATOM 565 CA THR A 77 11.780 -5.399 12.515 1.00 9.66 C +ATOM 566 C THR A 77 10.352 -5.821 12.199 1.00 8.36 C +ATOM 567 O THR A 77 9.429 -5.016 12.315 1.00 9.19 O +ATOM 568 CB THR A 77 12.550 -5.139 11.228 1.00 9.07 C +ATOM 569 OG1 THR A 77 13.813 -4.550 11.531 1.00 12.19 O +ATOM 570 CG2 THR A 77 11.795 -4.163 10.251 1.00 10.52 C +ATOM 571 N ASN A 78 10.132 -7.068 11.804 1.00 8.78 N +ATOM 572 CA ASN A 78 8.766 -7.503 11.512 1.00 10.11 C +ATOM 573 C ASN A 78 7.846 -7.444 12.736 1.00 9.99 C +ATOM 574 O ASN A 78 6.694 -6.989 12.632 1.00 9.70 O +ATOM 575 CB ASN A 78 8.708 -8.923 10.929 1.00 10.89 C +ATOM 576 CG ASN A 78 9.321 -9.048 9.542 1.00 14.87 C +ATOM 577 OD1 ASN A 78 9.248 -8.158 8.726 1.00 18.50 O +ATOM 578 ND2 ASN A 78 9.900 -10.224 9.276 1.00 21.95 N +ATOM 579 N LYS A 79 8.377 -7.854 13.896 1.00 9.37 N +ATOM 580 CA LYS A 79 7.612 -7.825 15.135 1.00 9.82 C +ATOM 581 C LYS A 79 7.333 -6.374 15.564 1.00 8.89 C +ATOM 582 O LYS A 79 6.250 -6.060 15.978 1.00 8.20 O +ATOM 583 CB LYS A 79 8.318 -8.580 16.267 1.00 11.49 C +ATOM 584 CG LYS A 79 8.426 -10.077 15.987 1.00 14.20 C +ATOM 585 CD LYS A 79 8.883 -10.829 17.233 1.00 19.56 C +ATOM 586 CE LYS A 79 9.406 -12.248 16.806 1.00 23.26 C +ATOM 587 NZ LYS A 79 9.173 -13.397 17.715 1.00 26.71 N +ATOM 588 N ILE A 80 8.313 -5.490 15.425 1.00 7.85 N +ATOM 589 CA ILE A 80 8.112 -4.083 15.728 1.00 9.28 C +ATOM 590 C ILE A 80 7.006 -3.513 14.859 1.00 7.91 C +ATOM 591 O ILE A 80 6.109 -2.801 15.362 1.00 7.93 O +ATOM 592 CB ILE A 80 9.425 -3.301 15.578 1.00 9.01 C +ATOM 593 CG1 ILE A 80 10.495 -3.739 16.611 1.00 9.46 C +ATOM 594 CG2 ILE A 80 9.158 -1.790 15.704 1.00 9.61 C +ATOM 595 CD1 ILE A 80 11.900 -3.289 16.243 1.00 11.99 C +ATOM 596 N GLU A 81 7.063 -3.751 13.544 1.00 7.57 N +ATOM 597 CA GLU A 81 6.053 -3.214 12.663 1.00 8.03 C +ATOM 598 C GLU A 81 4.651 -3.712 13.009 1.00 8.34 C +ATOM 599 O GLU A 81 3.703 -2.937 13.055 1.00 8.38 O +ATOM 600 CB GLU A 81 6.408 -3.568 11.218 1.00 8.56 C +ATOM 601 CG GLU A 81 5.478 -2.939 10.211 1.00 10.36 C +ATOM 602 CD GLU A 81 5.824 -3.206 8.786 1.00 14.37 C +ATOM 603 OE1 GLU A 81 5.351 -4.185 8.196 1.00 17.57 O +ATOM 604 OE2 GLU A 81 6.551 -2.395 8.249 1.00 16.02 O +ATOM 605 N GLU A 82 4.533 -5.012 13.253 1.00 8.56 N +ATOM 606 CA GLU A 82 3.252 -5.565 13.645 1.00 9.44 C +ATOM 607 C GLU A 82 2.733 -4.929 14.951 1.00 8.69 C +ATOM 608 O GLU A 82 1.536 -4.641 15.059 1.00 8.42 O +ATOM 609 CB GLU A 82 3.386 -7.084 13.780 1.00 11.19 C +ATOM 610 CG AGLU A 82 3.509 -7.865 12.479 0.50 13.87 C +ATOM 611 CG BGLU A 82 2.057 -7.829 13.913 0.50 15.80 C +ATOM 612 CD AGLU A 82 3.270 -9.351 12.549 0.50 21.13 C +ATOM 613 CD BGLU A 82 2.217 -9.319 14.129 0.50 22.67 C +ATOM 614 OE1AGLU A 82 2.683 -9.861 13.529 0.50 25.61 O +ATOM 615 OE1BGLU A 82 3.377 -9.780 14.177 0.50 27.87 O +ATOM 616 OE2AGLU A 82 3.660 -10.025 11.569 0.50 24.82 O +ATOM 617 OE2BGLU A 82 1.185 -10.028 14.233 0.50 25.29 O +ATOM 618 N PHE A 83 3.618 -4.739 15.919 1.00 7.71 N +ATOM 619 CA PHE A 83 3.260 -4.107 17.161 1.00 7.24 C +ATOM 620 C PHE A 83 2.766 -2.667 16.939 1.00 7.71 C +ATOM 621 O PHE A 83 1.706 -2.300 17.439 1.00 6.95 O +ATOM 622 CB PHE A 83 4.442 -4.150 18.125 1.00 8.34 C +ATOM 623 CG PHE A 83 4.273 -3.275 19.325 1.00 8.66 C +ATOM 624 CD1 PHE A 83 3.464 -3.656 20.362 1.00 9.83 C +ATOM 625 CD2 PHE A 83 4.997 -2.079 19.444 1.00 9.60 C +ATOM 626 CE1 PHE A 83 3.315 -2.812 21.474 1.00 9.44 C +ATOM 627 CE2 PHE A 83 4.843 -1.249 20.542 1.00 9.90 C +ATOM 628 CZ PHE A 83 4.008 -1.612 21.543 1.00 9.49 C +ATOM 629 N LEU A 84 3.520 -1.861 16.178 1.00 7.00 N +ATOM 630 CA LEU A 84 3.098 -0.502 15.877 1.00 8.14 C +ATOM 631 C LEU A 84 1.755 -0.456 15.175 1.00 7.36 C +ATOM 632 O LEU A 84 0.928 0.413 15.471 1.00 7.33 O +ATOM 633 CB LEU A 84 4.183 0.212 15.075 1.00 8.64 C +ATOM 634 CG LEU A 84 5.510 0.499 15.788 1.00 8.76 C +ATOM 635 CD1 LEU A 84 6.517 1.017 14.773 1.00 9.41 C +ATOM 636 CD2 LEU A 84 5.349 1.481 16.930 1.00 10.01 C +ATOM 637 N GLU A 85 1.554 -1.324 14.190 1.00 7.58 N +ATOM 638 CA GLU A 85 0.282 -1.358 13.512 1.00 8.25 C +ATOM 639 C GLU A 85 -0.865 -1.702 14.451 1.00 8.54 C +ATOM 640 O GLU A 85 -1.954 -1.115 14.397 1.00 9.23 O +ATOM 641 CB GLU A 85 0.342 -2.325 12.325 1.00 8.65 C +ATOM 642 CG GLU A 85 -0.968 -2.560 11.575 1.00 8.82 C +ATOM 643 CD GLU A 85 -1.476 -1.401 10.709 1.00 8.54 C +ATOM 644 OE1 GLU A 85 -0.909 -0.309 10.664 1.00 8.20 O +ATOM 645 OE2 GLU A 85 -2.466 -1.626 9.999 1.00 8.91 O +ATOM 646 N ALA A 86 -0.595 -2.583 15.391 1.00 8.47 N +ATOM 647 CA ALA A 86 -1.642 -2.987 16.346 1.00 9.51 C +ATOM 648 C ALA A 86 -1.977 -1.926 17.399 1.00 9.85 C +ATOM 649 O ALA A 86 -3.173 -1.760 17.744 1.00 12.77 O +ATOM 650 CB ALA A 86 -1.256 -4.294 17.023 1.00 10.26 C +ATOM 651 N VAL A 87 -0.997 -1.233 17.931 1.00 8.77 N +ATOM 652 CA VAL A 87 -1.225 -0.288 19.054 1.00 9.06 C +ATOM 653 C VAL A 87 -1.466 1.153 18.632 1.00 9.65 C +ATOM 654 O VAL A 87 -2.128 1.906 19.350 1.00 11.42 O +ATOM 655 CB VAL A 87 -0.125 -0.385 20.122 1.00 8.94 C +ATOM 656 CG1 VAL A 87 -0.031 -1.818 20.599 1.00 9.85 C +ATOM 657 CG2 VAL A 87 1.202 0.152 19.700 1.00 10.29 C +ATOM 658 N LEU A 88 -0.953 1.546 17.471 1.00 8.26 N +ATOM 659 CA LEU A 88 -1.221 2.881 16.912 1.00 8.76 C +ATOM 660 C LEU A 88 -2.296 2.677 15.869 1.00 8.56 C +ATOM 661 O LEU A 88 -2.040 2.605 14.677 1.00 9.32 O +ATOM 662 CB LEU A 88 0.036 3.505 16.314 1.00 8.64 C +ATOM 663 CG LEU A 88 1.210 3.614 17.296 1.00 9.33 C +ATOM 664 CD1 LEU A 88 2.439 4.133 16.590 1.00 9.50 C +ATOM 665 CD2 LEU A 88 0.905 4.520 18.523 1.00 10.19 C +ATOM 666 N CYS A 89 -3.533 2.593 16.314 1.00 10.30 N +ATOM 667 CA CYS A 89 -4.633 2.105 15.478 1.00 11.72 C +ATOM 668 C CYS A 89 -5.793 3.071 15.508 1.00 13.07 C +ATOM 669 O CYS A 89 -5.804 4.015 16.286 1.00 12.05 O +ATOM 670 CB CYS A 89 -5.061 0.718 15.963 1.00 12.01 C +ATOM 671 SG CYS A 89 -5.631 0.669 17.678 1.00 15.50 S +ATOM 672 N PRO A 90 -6.773 2.897 14.628 1.00 19.00 N +ATOM 673 CA PRO A 90 -7.935 3.780 14.672 1.00 20.72 C +ATOM 674 C PRO A 90 -8.720 3.695 15.998 1.00 21.89 C +ATOM 675 O PRO A 90 -8.680 2.626 16.655 1.00 22.82 O +ATOM 676 CB PRO A 90 -8.772 3.292 13.507 1.00 22.10 C +ATOM 677 CG PRO A 90 -7.783 2.717 12.604 1.00 21.71 C +ATOM 678 CD PRO A 90 -6.792 1.989 13.453 1.00 19.10 C +ATOM 679 N PRO A 91 -9.433 4.754 16.364 1.00 22.42 N +ATOM 680 CA PRO A 91 -9.610 5.973 15.575 1.00 22.75 C +ATOM 681 C PRO A 91 -8.505 7.010 15.659 1.00 22.18 C +ATOM 682 O PRO A 91 -8.509 7.913 14.824 1.00 22.89 O +ATOM 683 CB PRO A 91 -10.861 6.613 16.211 1.00 23.56 C +ATOM 684 CG PRO A 91 -10.847 6.135 17.605 1.00 24.43 C +ATOM 685 CD PRO A 91 -10.245 4.780 17.608 1.00 22.90 C +ATOM 686 N ARG A 92 -7.574 6.888 16.610 1.00 21.51 N +ATOM 687 CA ARG A 92 -6.568 7.926 16.816 1.00 20.95 C +ATOM 688 C ARG A 92 -5.498 7.986 15.704 1.00 18.90 C +ATOM 689 O ARG A 92 -5.075 9.069 15.350 1.00 19.63 O +ATOM 690 CB ARG A 92 -5.856 7.724 18.155 1.00 22.37 C +ATOM 691 CG ARG A 92 -4.965 8.885 18.566 1.00 28.54 C +ATOM 692 CD ARG A 92 -4.106 8.523 19.767 1.00 36.40 C +ATOM 693 NE ARG A 92 -3.243 9.629 20.174 1.00 42.56 N +ATOM 694 CZ ARG A 92 -2.395 9.576 21.196 1.00 46.97 C +ATOM 695 NH1 ARG A 92 -2.293 8.468 21.917 1.00 49.50 N +ATOM 696 NH2 ARG A 92 -1.649 10.632 21.493 1.00 48.31 N +ATOM 697 N TYR A 93 -5.097 6.833 15.167 1.00 16.84 N +ATOM 698 CA TYR A 93 -4.075 6.754 14.108 1.00 15.79 C +ATOM 699 C TYR A 93 -4.595 5.921 12.949 1.00 15.47 C +ATOM 700 O TYR A 93 -5.441 5.057 13.123 1.00 17.58 O +ATOM 701 CB TYR A 93 -2.837 6.082 14.644 1.00 15.39 C +ATOM 702 CG TYR A 93 -2.296 6.651 15.924 1.00 17.16 C +ATOM 703 CD1 TYR A 93 -1.444 7.743 15.920 1.00 18.07 C +ATOM 704 CD2 TYR A 93 -2.627 6.097 17.140 1.00 18.86 C +ATOM 705 CE1 TYR A 93 -0.945 8.313 17.108 1.00 21.16 C +ATOM 706 CE2 TYR A 93 -2.152 6.654 18.326 1.00 19.92 C +ATOM 707 CZ TYR A 93 -1.273 7.742 18.309 1.00 19.92 C +ATOM 708 OH TYR A 93 -0.758 8.291 19.518 1.00 24.36 O +ATOM 709 N PRO A 94 -4.127 6.185 11.739 1.00 14.10 N +ATOM 710 CA PRO A 94 -4.618 5.431 10.591 1.00 14.66 C +ATOM 711 C PRO A 94 -4.061 4.028 10.529 1.00 14.98 C +ATOM 712 O PRO A 94 -2.915 3.793 10.872 1.00 13.18 O +ATOM 713 CB PRO A 94 -4.106 6.225 9.390 1.00 14.60 C +ATOM 714 CG PRO A 94 -2.806 6.805 9.909 1.00 15.39 C +ATOM 715 CD PRO A 94 -3.159 7.216 11.327 1.00 14.51 C +ATOM 716 N LYS A 95 -4.909 3.091 10.100 1.00 14.75 N +ATOM 717 CA LYS A 95 -4.487 1.745 9.753 1.00 15.47 C +ATOM 718 C LYS A 95 -3.598 1.819 8.507 1.00 14.31 C +ATOM 719 O LYS A 95 -3.976 2.430 7.499 1.00 16.98 O +ATOM 720 CB LYS A 95 -5.701 0.830 9.581 1.00 17.19 C +ATOM 721 CG LYS A 95 -5.352 -0.603 9.216 1.00 21.43 C +ATOM 722 CD LYS A 95 -6.602 -1.454 9.061 1.00 24.32 C +ATOM 723 CE LYS A 95 -6.253 -2.887 8.696 1.00 30.73 C +ATOM 724 NZ LYS A 95 -7.468 -3.733 8.541 1.00 35.54 N +ATOM 725 N LEU A 96 -2.426 1.207 8.543 1.00 12.89 N +ATOM 726 CA LEU A 96 -1.517 1.238 7.393 1.00 13.07 C +ATOM 727 C LEU A 96 -1.390 -0.074 6.654 1.00 13.68 C +ATOM 728 O LEU A 96 -0.837 -0.104 5.556 1.00 13.78 O +ATOM 729 CB LEU A 96 -0.101 1.697 7.771 1.00 12.14 C +ATOM 730 CG LEU A 96 -0.001 3.070 8.447 1.00 13.10 C +ATOM 731 CD1 LEU A 96 1.439 3.355 8.777 1.00 12.63 C +ATOM 732 CD2 LEU A 96 -0.544 4.136 7.507 1.00 13.67 C +ATOM 733 N ALA A 97 -2.023 -1.131 7.156 1.00 13.76 N +ATOM 734 CA ALA A 97 -1.948 -2.410 6.454 1.00 14.33 C +ATOM 735 C ALA A 97 -2.639 -2.330 5.092 1.00 15.02 C +ATOM 736 O ALA A 97 -3.689 -1.735 4.942 1.00 15.89 O +ATOM 737 CB ALA A 97 -2.669 -3.484 7.315 1.00 15.59 C +ATOM 738 N ALA A 98 -2.024 -2.967 4.098 1.00 14.74 N +ATOM 739 CA ALA A 98 -2.652 -3.081 2.806 1.00 14.89 C +ATOM 740 C ALA A 98 -3.977 -3.837 2.862 1.00 13.96 C +ATOM 741 O ALA A 98 -4.159 -4.736 3.653 1.00 15.15 O +ATOM 742 CB ALA A 98 -1.717 -3.745 1.805 1.00 15.14 C +ATOM 743 N LEU A 99 -4.882 -3.469 1.971 1.00 11.52 N +ATOM 744 CA LEU A 99 -6.163 -4.141 1.912 1.00 11.81 C +ATOM 745 C LEU A 99 -6.086 -5.429 1.061 1.00 11.67 C +ATOM 746 O LEU A 99 -6.888 -6.343 1.233 1.00 13.54 O +ATOM 747 CB LEU A 99 -7.160 -3.203 1.316 1.00 12.17 C +ATOM 748 CG LEU A 99 -7.393 -1.807 1.898 1.00 16.45 C +ATOM 749 CD1 LEU A 99 -8.553 -1.097 1.208 1.00 19.77 C +ATOM 750 CD2 LEU A 99 -7.630 -1.968 3.348 1.00 19.27 C +ATOM 751 N ASN A 100 -5.160 -5.491 0.121 1.00 9.92 N +ATOM 752 CA ASN A 100 -4.994 -6.652 -0.782 1.00 9.79 C +ATOM 753 C ASN A 100 -3.757 -7.450 -0.387 1.00 11.41 C +ATOM 754 O ASN A 100 -2.650 -6.893 -0.384 1.00 9.75 O +ATOM 755 CB ASN A 100 -4.834 -6.126 -2.207 1.00 9.70 C +ATOM 756 CG ASN A 100 -6.035 -5.414 -2.686 1.00 11.79 C +ATOM 757 OD1 ASN A 100 -6.991 -6.063 -3.134 1.00 12.88 O +ATOM 758 ND2 ASN A 100 -6.054 -4.074 -2.573 1.00 11.74 N +ATOM 759 N PRO A 101 -3.873 -8.733 -0.033 1.00 10.08 N +ATOM 760 CA PRO A 101 -2.682 -9.475 0.372 1.00 11.30 C +ATOM 761 C PRO A 101 -1.634 -9.485 -0.700 1.00 10.83 C +ATOM 762 O PRO A 101 -0.474 -9.570 -0.388 1.00 11.05 O +ATOM 763 CB PRO A 101 -3.242 -10.851 0.738 1.00 12.15 C +ATOM 764 CG PRO A 101 -4.699 -10.616 0.957 1.00 12.60 C +ATOM 765 CD PRO A 101 -5.125 -9.630 -0.094 1.00 10.45 C +ATOM 766 N GLU A 102 -2.051 -9.426 -1.960 1.00 10.12 N +ATOM 767 CA GLU A 102 -1.140 -9.425 -3.081 1.00 10.81 C +ATOM 768 C GLU A 102 -0.177 -8.236 -3.002 1.00 9.85 C +ATOM 769 O GLU A 102 0.924 -8.308 -3.452 1.00 10.79 O +ATOM 770 CB GLU A 102 -1.943 -9.417 -4.427 1.00 12.30 C +ATOM 771 CG GLU A 102 -2.947 -10.572 -4.643 1.00 13.74 C +ATOM 772 CD GLU A 102 -4.344 -10.471 -4.010 1.00 15.04 C +ATOM 773 OE1 GLU A 102 -4.599 -9.583 -3.183 1.00 12.45 O +ATOM 774 OE2 GLU A 102 -5.182 -11.382 -4.315 1.00 16.19 O +ATOM 775 N SER A 103 -0.583 -7.147 -2.383 1.00 8.50 N +ATOM 776 CA SER A 103 0.323 -6.009 -2.242 1.00 9.27 C +ATOM 777 C SER A 103 1.500 -6.284 -1.346 1.00 9.20 C +ATOM 778 O SER A 103 2.555 -5.640 -1.471 1.00 9.05 O +ATOM 779 CB SER A 103 -0.442 -4.794 -1.709 1.00 8.84 C +ATOM 780 OG SER A 103 -1.415 -4.342 -2.637 1.00 9.46 O +ATOM 781 N ASN A 104 1.341 -7.265 -0.448 1.00 8.62 N +ATOM 782 CA ASN A 104 2.343 -7.619 0.502 1.00 10.29 C +ATOM 783 C ASN A 104 3.343 -8.612 -0.049 1.00 11.02 C +ATOM 784 O ASN A 104 4.339 -8.819 0.603 1.00 13.89 O +ATOM 785 CB ASN A 104 1.710 -8.175 1.808 1.00 11.03 C +ATOM 786 CG ASN A 104 0.837 -7.189 2.505 1.00 11.62 C +ATOM 787 OD1 ASN A 104 1.096 -5.986 2.468 1.00 13.59 O +ATOM 788 ND2 ASN A 104 -0.224 -7.671 3.143 1.00 13.37 N +ATOM 789 N THR A 105 3.103 -9.175 -1.218 1.00 10.85 N +ATOM 790 CA THR A 105 4.028 -10.095 -1.884 1.00 13.01 C +ATOM 791 C THR A 105 4.660 -9.514 -3.166 1.00 12.43 C +ATOM 792 O THR A 105 5.734 -9.937 -3.633 1.00 14.59 O +ATOM 793 CB THR A 105 3.338 -11.453 -2.192 1.00 13.00 C +ATOM 794 OG1 THR A 105 2.194 -11.287 -3.043 1.00 17.20 O +ATOM 795 CG2 THR A 105 2.840 -12.095 -0.941 1.00 17.05 C +ATOM 796 N ALA A 106 4.039 -8.490 -3.742 1.00 10.12 N +ATOM 797 CA ALA A 106 4.560 -7.913 -4.972 1.00 10.74 C +ATOM 798 C ALA A 106 5.963 -7.327 -4.803 1.00 10.77 C +ATOM 799 O ALA A 106 6.176 -6.494 -3.957 1.00 11.90 O +ATOM 800 CB ALA A 106 3.626 -6.842 -5.439 1.00 12.11 C +ATOM 801 N GLY A 107 6.900 -7.790 -5.612 1.00 10.63 N +ATOM 802 CA GLY A 107 8.248 -7.285 -5.597 1.00 10.33 C +ATOM 803 C GLY A 107 9.115 -7.790 -4.456 1.00 10.23 C +ATOM 804 O GLY A 107 10.245 -7.363 -4.378 1.00 9.97 O +ATOM 805 N LEU A 108 8.610 -8.704 -3.635 1.00 11.56 N +ATOM 806 CA LEU A 108 9.313 -9.184 -2.433 1.00 13.08 C +ATOM 807 C LEU A 108 10.630 -9.851 -2.776 1.00 12.17 C +ATOM 808 O LEU A 108 11.581 -9.784 -2.012 1.00 13.31 O +ATOM 809 CB LEU A 108 8.433 -10.187 -1.647 1.00 16.47 C +ATOM 810 CG LEU A 108 8.285 -9.952 -0.153 1.00 20.86 C +ATOM 811 CD1 LEU A 108 8.072 -8.505 0.169 1.00 20.97 C +ATOM 812 CD2 LEU A 108 7.116 -10.761 0.392 1.00 22.08 C +ATOM 813 N ASP A 109 10.729 -10.450 -3.942 1.00 9.99 N +ATOM 814 CA ASP A 109 11.926 -11.185 -4.359 1.00 10.07 C +ATOM 815 C ASP A 109 12.998 -10.341 -5.025 1.00 8.65 C +ATOM 816 O ASP A 109 14.075 -10.832 -5.295 1.00 10.08 O +ATOM 817 CB ASP A 109 11.505 -12.314 -5.294 1.00 10.41 C +ATOM 818 CG ASP A 109 10.886 -11.834 -6.591 1.00 12.63 C +ATOM 819 OD1 ASP A 109 10.383 -10.709 -6.669 1.00 12.99 O +ATOM 820 OD2 ASP A 109 10.827 -12.613 -7.593 1.00 17.10 O +ATOM 821 N ILE A 110 12.725 -9.075 -5.292 1.00 8.52 N +ATOM 822 CA ILE A 110 13.660 -8.251 -6.035 1.00 7.50 C +ATOM 823 C ILE A 110 14.972 -8.038 -5.279 1.00 7.78 C +ATOM 824 O ILE A 110 16.047 -8.164 -5.844 1.00 7.54 O +ATOM 825 CB ILE A 110 13.039 -6.881 -6.435 1.00 7.77 C +ATOM 826 CG1 ILE A 110 11.920 -7.098 -7.449 1.00 8.57 C +ATOM 827 CG2 ILE A 110 14.106 -5.962 -6.956 1.00 8.71 C +ATOM 828 CD1 ILE A 110 11.035 -5.894 -7.624 1.00 8.86 C +ATOM 829 N PHE A 111 14.898 -7.741 -3.985 1.00 7.44 N +ATOM 830 CA PHE A 111 16.083 -7.347 -3.281 1.00 7.61 C +ATOM 831 C PHE A 111 17.139 -8.478 -3.271 1.00 8.57 C +ATOM 832 O PHE A 111 18.330 -8.222 -3.473 1.00 7.58 O +ATOM 833 CB PHE A 111 15.735 -6.873 -1.864 1.00 8.62 C +ATOM 834 CG PHE A 111 16.833 -6.103 -1.187 1.00 8.68 C +ATOM 835 CD1 PHE A 111 17.200 -4.865 -1.678 1.00 8.62 C +ATOM 836 CD2 PHE A 111 17.524 -6.596 -0.076 1.00 11.46 C +ATOM 837 CE1 PHE A 111 18.206 -4.119 -1.068 1.00 10.34 C +ATOM 838 CE2 PHE A 111 18.512 -5.823 0.532 1.00 13.52 C +ATOM 839 CZ PHE A 111 18.859 -4.626 -0.002 1.00 11.93 C +ATOM 840 N ALA A 112 16.716 -9.724 -3.040 1.00 9.28 N +ATOM 841 CA ALA A 112 17.672 -10.835 -3.020 1.00 9.76 C +ATOM 842 C ALA A 112 18.277 -11.103 -4.387 1.00 8.90 C +ATOM 843 O ALA A 112 19.439 -11.497 -4.501 1.00 9.33 O +ATOM 844 CB ALA A 112 17.005 -12.106 -2.473 1.00 10.80 C +ATOM 845 N LYS A 113 17.507 -10.883 -5.443 1.00 7.97 N +ATOM 846 CA LYS A 113 18.037 -11.008 -6.821 1.00 8.75 C +ATOM 847 C LYS A 113 19.038 -9.914 -7.135 1.00 7.49 C +ATOM 848 O LYS A 113 20.066 -10.174 -7.757 1.00 7.67 O +ATOM 849 CB LYS A 113 16.873 -11.071 -7.823 1.00 10.31 C +ATOM 850 CG LYS A 113 16.110 -12.395 -7.586 1.00 11.64 C +ATOM 851 CD LYS A 113 14.836 -12.575 -8.364 1.00 13.39 C +ATOM 852 CE LYS A 113 14.254 -13.967 -8.166 1.00 16.06 C +ATOM 853 NZ LYS A 113 12.984 -14.103 -8.934 1.00 19.33 N +ATOM 854 N PHE A 114 18.779 -8.700 -6.643 1.00 6.87 N +ATOM 855 CA PHE A 114 19.748 -7.631 -6.727 1.00 7.09 C +ATOM 856 C PHE A 114 20.999 -7.984 -5.972 1.00 7.03 C +ATOM 857 O PHE A 114 22.125 -7.747 -6.451 1.00 6.22 O +ATOM 858 CB PHE A 114 19.104 -6.297 -6.188 1.00 7.43 C +ATOM 859 CG PHE A 114 20.087 -5.353 -5.579 1.00 6.76 C +ATOM 860 CD1 PHE A 114 20.952 -4.586 -6.370 1.00 7.33 C +ATOM 861 CD2 PHE A 114 20.125 -5.200 -4.217 1.00 7.23 C +ATOM 862 CE1 PHE A 114 21.873 -3.750 -5.787 1.00 7.12 C +ATOM 863 CE2 PHE A 114 21.027 -4.363 -3.614 1.00 7.64 C +ATOM 864 CZ PHE A 114 21.911 -3.642 -4.371 1.00 8.39 C +ATOM 865 N SER A 115 20.862 -8.579 -4.774 1.00 7.31 N +ATOM 866 CA SER A 115 22.042 -8.881 -3.978 1.00 7.45 C +ATOM 867 C SER A 115 22.921 -9.891 -4.708 1.00 7.54 C +ATOM 868 O SER A 115 24.137 -9.731 -4.752 1.00 7.80 O +ATOM 869 CB SER A 115 21.629 -9.378 -2.588 1.00 7.93 C +ATOM 870 OG SER A 115 20.950 -8.377 -1.876 1.00 9.40 O +ATOM 871 N ALA A 116 22.328 -10.934 -5.260 1.00 7.19 N +ATOM 872 CA ALA A 116 23.098 -11.939 -5.995 1.00 7.51 C +ATOM 873 C ALA A 116 23.809 -11.297 -7.189 1.00 7.51 C +ATOM 874 O ALA A 116 24.980 -11.575 -7.450 1.00 7.68 O +ATOM 875 CB ALA A 116 22.212 -13.084 -6.416 1.00 8.93 C +ATOM 876 N TYR A 117 23.089 -10.438 -7.935 1.00 6.59 N +ATOM 877 CA TYR A 117 23.656 -9.725 -9.051 1.00 6.93 C +ATOM 878 C TYR A 117 24.841 -8.862 -8.653 1.00 7.19 C +ATOM 879 O TYR A 117 25.917 -8.963 -9.270 1.00 7.16 O +ATOM 880 CB TYR A 117 22.538 -8.889 -9.661 1.00 7.15 C +ATOM 881 CG TYR A 117 22.902 -7.864 -10.718 1.00 6.54 C +ATOM 882 CD1 TYR A 117 23.396 -8.239 -11.959 1.00 7.10 C +ATOM 883 CD2 TYR A 117 22.724 -6.488 -10.469 1.00 7.63 C +ATOM 884 CE1 TYR A 117 23.672 -7.289 -12.934 1.00 5.90 C +ATOM 885 CE2 TYR A 117 22.997 -5.544 -11.451 1.00 7.29 C +ATOM 886 CZ TYR A 117 23.462 -5.944 -12.663 1.00 7.10 C +ATOM 887 OH TYR A 117 23.740 -4.989 -13.615 1.00 7.27 O +ATOM 888 N ILE A 118 24.699 -8.049 -7.613 1.00 5.98 N +ATOM 889 CA ILE A 118 25.727 -7.102 -7.318 1.00 7.50 C +ATOM 890 C ILE A 118 26.981 -7.727 -6.707 1.00 7.06 C +ATOM 891 O ILE A 118 28.077 -7.140 -6.822 1.00 7.45 O +ATOM 892 CB ILE A 118 25.172 -5.917 -6.492 1.00 7.77 C +ATOM 893 CG1 ILE A 118 25.899 -4.612 -6.828 1.00 8.80 C +ATOM 894 CG2 ILE A 118 25.122 -6.231 -4.990 1.00 8.62 C +ATOM 895 CD1 ILE A 118 25.469 -4.025 -8.189 1.00 9.80 C +ATOM 896 N LYS A 119 26.825 -8.887 -6.057 1.00 6.55 N +ATOM 897 CA LYS A 119 27.931 -9.567 -5.366 1.00 7.88 C +ATOM 898 C LYS A 119 28.749 -10.465 -6.303 1.00 8.23 C +ATOM 899 O LYS A 119 29.727 -11.022 -5.880 1.00 9.39 O +ATOM 900 CB LYS A 119 27.339 -10.432 -4.220 1.00 7.87 C +ATOM 901 CG LYS A 119 26.789 -9.585 -3.081 1.00 11.13 C +ATOM 902 CD LYS A 119 25.991 -10.407 -2.018 1.00 13.96 C +ATOM 903 CE LYS A 119 26.826 -11.476 -1.352 1.00 18.09 C +ATOM 904 NZ LYS A 119 28.006 -10.907 -0.545 1.00 21.38 N +ATOM 905 N ASN A 120 28.274 -10.685 -7.530 1.00 6.29 N +ATOM 906 CA ASN A 120 28.996 -11.492 -8.502 1.00 7.28 C +ATOM 907 C ASN A 120 30.107 -10.730 -9.156 1.00 6.61 C +ATOM 908 O ASN A 120 29.947 -9.538 -9.458 1.00 6.27 O +ATOM 909 CB ASN A 120 28.018 -11.983 -9.578 1.00 6.52 C +ATOM 910 CG ASN A 120 28.742 -12.478 -10.811 1.00 6.58 C +ATOM 911 OD1 ASN A 120 29.402 -13.533 -10.812 1.00 6.01 O +ATOM 912 ND2 ASN A 120 28.674 -11.685 -11.872 1.00 5.63 N +ATOM 913 N SER A 121 31.202 -11.421 -9.476 1.00 6.67 N +ATOM 914 CA SER A 121 32.333 -10.832 -10.143 1.00 6.84 C +ATOM 915 C SER A 121 32.581 -11.383 -11.575 1.00 6.75 C +ATOM 916 O SER A 121 33.395 -10.824 -12.309 1.00 7.90 O +ATOM 917 CB SER A 121 33.609 -11.015 -9.329 1.00 10.07 C +ATOM 918 OG SER A 121 33.933 -12.352 -9.198 1.00 11.93 O +ATOM 919 N ASN A 122 31.927 -12.467 -11.972 1.00 5.84 N +ATOM 920 CA ASN A 122 32.230 -13.049 -13.262 1.00 6.38 C +ATOM 921 C ASN A 122 31.432 -12.310 -14.362 1.00 6.50 C +ATOM 922 O ASN A 122 30.196 -12.142 -14.269 1.00 5.89 O +ATOM 923 CB ASN A 122 31.847 -14.521 -13.280 1.00 5.68 C +ATOM 924 CG ASN A 122 32.184 -15.163 -14.614 1.00 6.45 C +ATOM 925 OD1 ASN A 122 31.319 -15.405 -15.438 1.00 5.73 O +ATOM 926 ND2 ASN A 122 33.474 -15.452 -14.827 1.00 7.00 N +ATOM 927 N PRO A 123 32.100 -11.858 -15.414 1.00 6.02 N +ATOM 928 CA PRO A 123 31.403 -11.064 -16.433 1.00 7.48 C +ATOM 929 C PRO A 123 30.250 -11.748 -17.127 1.00 7.37 C +ATOM 930 O PRO A 123 29.153 -11.170 -17.229 1.00 8.28 O +ATOM 931 CB PRO A 123 32.538 -10.650 -17.403 1.00 8.79 C +ATOM 932 CG PRO A 123 33.789 -10.676 -16.546 1.00 8.24 C +ATOM 933 CD PRO A 123 33.566 -11.834 -15.623 1.00 7.07 C +ATOM 934 N ALA A 124 30.418 -13.001 -17.566 1.00 7.25 N +ATOM 935 CA ALA A 124 29.346 -13.705 -18.200 1.00 7.92 C +ATOM 936 C ALA A 124 28.184 -14.016 -17.254 1.00 7.33 C +ATOM 937 O ALA A 124 27.006 -13.793 -17.598 1.00 8.93 O +ATOM 938 CB ALA A 124 29.818 -14.981 -18.851 1.00 8.37 C +ATOM 939 N LEU A 125 28.496 -14.419 -16.021 1.00 6.70 N +ATOM 940 CA LEU A 125 27.427 -14.747 -15.085 1.00 6.70 C +ATOM 941 C LEU A 125 26.603 -13.510 -14.740 1.00 6.51 C +ATOM 942 O LEU A 125 25.381 -13.603 -14.461 1.00 6.39 O +ATOM 943 CB LEU A 125 28.009 -15.359 -13.815 1.00 6.98 C +ATOM 944 CG LEU A 125 27.014 -15.857 -12.762 1.00 7.91 C +ATOM 945 CD1 LEU A 125 26.177 -16.989 -13.379 1.00 10.13 C +ATOM 946 CD2 LEU A 125 27.805 -16.360 -11.543 1.00 9.24 C +ATOM 947 N ASN A 126 27.246 -12.348 -14.751 1.00 6.66 N +ATOM 948 CA ASN A 126 26.549 -11.069 -14.543 1.00 6.59 C +ATOM 949 C ASN A 126 25.313 -10.994 -15.398 1.00 6.02 C +ATOM 950 O ASN A 126 24.274 -10.462 -14.963 1.00 6.16 O +ATOM 951 CB ASN A 126 27.479 -9.910 -14.914 1.00 6.61 C +ATOM 952 CG ASN A 126 26.771 -8.576 -14.990 1.00 6.14 C +ATOM 953 OD1 ASN A 126 26.352 -8.126 -16.114 1.00 9.62 O +ATOM 954 ND2 ASN A 126 26.655 -7.927 -13.904 1.00 4.08 N +ATOM 955 N ASP A 127 25.427 -11.421 -16.651 1.00 5.84 N +ATOM 956 CA ASP A 127 24.340 -11.315 -17.594 1.00 6.85 C +ATOM 957 C ASP A 127 23.162 -12.244 -17.257 1.00 7.14 C +ATOM 958 O ASP A 127 22.011 -11.817 -17.412 1.00 8.37 O +ATOM 959 CB ASP A 127 24.829 -11.551 -19.020 1.00 6.58 C +ATOM 960 CG ASP A 127 25.875 -10.563 -19.478 1.00 8.24 C +ATOM 961 OD1 ASP A 127 26.158 -9.549 -18.808 1.00 8.16 O +ATOM 962 OD2 ASP A 127 26.490 -10.778 -20.549 1.00 11.26 O +ATOM 963 N ASN A 128 23.408 -13.441 -16.746 1.00 7.11 N +ATOM 964 CA ASN A 128 22.329 -14.276 -16.264 1.00 8.22 C +ATOM 965 C ASN A 128 21.631 -13.608 -15.049 1.00 7.19 C +ATOM 966 O ASN A 128 20.407 -13.645 -14.891 1.00 7.70 O +ATOM 967 CB ASN A 128 22.853 -15.674 -15.800 1.00 9.59 C +ATOM 968 CG ASN A 128 23.260 -16.579 -16.937 1.00 10.19 C +ATOM 969 OD1 ASN A 128 22.437 -16.922 -17.823 1.00 16.79 O +ATOM 970 ND2 ASN A 128 24.461 -17.091 -16.869 1.00 9.49 N +ATOM 971 N LEU A 129 22.422 -13.085 -14.132 1.00 6.17 N +ATOM 972 CA LEU A 129 21.910 -12.466 -12.924 1.00 6.90 C +ATOM 973 C LEU A 129 21.126 -11.189 -13.290 1.00 7.07 C +ATOM 974 O LEU A 129 20.095 -10.879 -12.639 1.00 7.51 O +ATOM 975 CB LEU A 129 23.019 -12.193 -11.932 1.00 7.21 C +ATOM 976 CG LEU A 129 23.652 -13.481 -11.368 1.00 8.01 C +ATOM 977 CD1 LEU A 129 24.947 -13.209 -10.750 1.00 8.27 C +ATOM 978 CD2 LEU A 129 22.698 -14.177 -10.369 1.00 9.94 C +ATOM 979 N GLU A 130 21.594 -10.438 -14.298 1.00 6.67 N +ATOM 980 CA GLU A 130 20.863 -9.256 -14.760 1.00 7.28 C +ATOM 981 C GLU A 130 19.471 -9.631 -15.241 1.00 7.57 C +ATOM 982 O GLU A 130 18.463 -8.986 -14.921 1.00 7.65 O +ATOM 983 CB GLU A 130 21.634 -8.517 -15.855 1.00 7.40 C +ATOM 984 CG GLU A 130 20.975 -7.195 -16.314 1.00 9.03 C +ATOM 985 CD GLU A 130 21.619 -6.488 -17.469 1.00 12.40 C +ATOM 986 OE1 GLU A 130 22.794 -6.559 -17.673 1.00 14.57 O +ATOM 987 OE2 GLU A 130 20.881 -5.752 -18.177 1.00 18.22 O +ATOM 988 N LYS A 131 19.399 -10.716 -15.981 1.00 7.66 N +ATOM 989 CA LYS A 131 18.104 -11.199 -16.462 1.00 8.68 C +ATOM 990 C LYS A 131 17.180 -11.616 -15.313 1.00 8.66 C +ATOM 991 O LYS A 131 15.976 -11.309 -15.331 1.00 9.31 O +ATOM 992 CB LYS A 131 18.282 -12.391 -17.383 1.00 9.36 C +ATOM 993 CG LYS A 131 18.914 -12.020 -18.673 1.00 14.01 C +ATOM 994 CD LYS A 131 18.999 -13.235 -19.610 1.00 19.61 C +ATOM 995 CE LYS A 131 19.668 -12.920 -20.914 1.00 24.06 C +ATOM 996 NZ LYS A 131 19.561 -14.145 -21.734 1.00 29.75 N +ATOM 997 N GLY A 132 17.707 -12.257 -14.277 1.00 8.97 N +ATOM 998 CA GLY A 132 16.901 -12.622 -13.149 1.00 9.27 C +ATOM 999 C GLY A 132 16.332 -11.375 -12.462 1.00 8.44 C +ATOM 1000 O GLY A 132 15.165 -11.359 -12.052 1.00 9.77 O +ATOM 1001 N LEU A 133 17.124 -10.341 -12.327 1.00 7.92 N +ATOM 1002 CA LEU A 133 16.701 -9.092 -11.699 1.00 7.77 C +ATOM 1003 C LEU A 133 15.652 -8.381 -12.546 1.00 7.15 C +ATOM 1004 O LEU A 133 14.615 -7.928 -12.038 1.00 6.99 O +ATOM 1005 CB LEU A 133 17.890 -8.203 -11.448 1.00 7.49 C +ATOM 1006 CG LEU A 133 17.655 -6.778 -10.926 1.00 7.57 C +ATOM 1007 CD1 LEU A 133 16.891 -6.820 -9.585 1.00 9.01 C +ATOM 1008 CD2 LEU A 133 18.956 -6.049 -10.776 1.00 8.75 C +ATOM 1009 N LEU A 134 15.891 -8.312 -13.844 1.00 7.09 N +ATOM 1010 CA LEU A 134 14.936 -7.716 -14.778 1.00 7.28 C +ATOM 1011 C LEU A 134 13.586 -8.439 -14.744 1.00 7.27 C +ATOM 1012 O LEU A 134 12.524 -7.793 -14.712 1.00 7.84 O +ATOM 1013 CB LEU A 134 15.481 -7.716 -16.201 1.00 8.21 C +ATOM 1014 CG LEU A 134 16.524 -6.664 -16.520 1.00 8.69 C +ATOM 1015 CD1 LEU A 134 17.268 -6.955 -17.829 1.00 10.18 C +ATOM 1016 CD2 LEU A 134 15.930 -5.271 -16.574 1.00 10.21 C +ATOM 1017 N LYS A 135 13.581 -9.779 -14.678 1.00 7.49 N +ATOM 1018 CA LYS A 135 12.325 -10.526 -14.641 1.00 8.13 C +ATOM 1019 C LYS A 135 11.544 -10.181 -13.378 1.00 8.16 C +ATOM 1020 O LYS A 135 10.315 -10.013 -13.418 1.00 7.73 O +ATOM 1021 CB LYS A 135 12.587 -12.015 -14.735 1.00 10.30 C +ATOM 1022 CG ALYS A 135 13.192 -12.576 -16.016 0.50 15.22 C +ATOM 1023 CG BLYS A 135 11.310 -12.877 -14.804 0.50 13.44 C +ATOM 1024 CD ALYS A 135 13.275 -14.033 -16.137 0.50 19.33 C +ATOM 1025 CD BLYS A 135 11.619 -14.378 -14.881 0.50 19.44 C +ATOM 1026 CE ALYS A 135 14.064 -14.394 -17.346 0.50 23.86 C +ATOM 1027 CE BLYS A 135 10.357 -15.164 -14.798 0.50 24.05 C +ATOM 1028 NZ ALYS A 135 14.020 -15.872 -17.575 0.50 28.10 N +ATOM 1029 NZ BLYS A 135 10.634 -16.616 -14.847 0.50 26.91 N +ATOM 1030 N ALA A 136 12.238 -10.085 -12.245 1.00 7.83 N +ATOM 1031 CA ALA A 136 11.576 -9.776 -10.985 1.00 7.62 C +ATOM 1032 C ALA A 136 10.993 -8.333 -11.026 1.00 7.83 C +ATOM 1033 O ALA A 136 9.885 -8.080 -10.530 1.00 8.10 O +ATOM 1034 CB ALA A 136 12.512 -10.006 -9.858 1.00 9.83 C +ATOM 1035 N LEU A 137 11.731 -7.382 -11.594 1.00 6.75 N +ATOM 1036 CA LEU A 137 11.241 -6.032 -11.742 1.00 7.20 C +ATOM 1037 C LEU A 137 10.003 -5.997 -12.670 1.00 7.28 C +ATOM 1038 O LEU A 137 9.077 -5.260 -12.410 1.00 7.11 O +ATOM 1039 CB LEU A 137 12.353 -5.153 -12.317 1.00 7.51 C +ATOM 1040 CG LEU A 137 13.429 -4.736 -11.287 1.00 8.86 C +ATOM 1041 CD1 LEU A 137 14.709 -4.273 -12.016 1.00 9.15 C +ATOM 1042 CD2 LEU A 137 12.915 -3.631 -10.312 1.00 9.52 C +ATOM 1043 N LYS A 138 10.012 -6.805 -13.723 1.00 7.00 N +ATOM 1044 CA LYS A 138 8.869 -6.866 -14.643 1.00 7.32 C +ATOM 1045 C LYS A 138 7.623 -7.440 -13.963 1.00 6.80 C +ATOM 1046 O LYS A 138 6.514 -6.987 -14.211 1.00 7.57 O +ATOM 1047 CB LYS A 138 9.262 -7.680 -15.886 1.00 7.63 C +ATOM 1048 CG LYS A 138 8.125 -7.824 -16.913 1.00 9.22 C +ATOM 1049 CD LYS A 138 7.745 -6.444 -17.513 1.00 14.60 C +ATOM 1050 CE LYS A 138 6.686 -6.423 -18.547 1.00 18.66 C +ATOM 1051 NZ LYS A 138 6.250 -4.920 -18.667 1.00 18.80 N +ATOM 1052 N VAL A 139 7.767 -8.453 -13.116 1.00 7.02 N +ATOM 1053 CA VAL A 139 6.632 -9.009 -12.385 1.00 7.65 C +ATOM 1054 C VAL A 139 6.027 -7.909 -11.478 1.00 7.76 C +ATOM 1055 O VAL A 139 4.794 -7.731 -11.399 1.00 7.29 O +ATOM 1056 CB VAL A 139 7.009 -10.276 -11.605 1.00 8.10 C +ATOM 1057 CG1 VAL A 139 5.902 -10.739 -10.692 1.00 8.78 C +ATOM 1058 CG2 VAL A 139 7.321 -11.360 -12.592 1.00 8.71 C +ATOM 1059 N LEU A 140 6.868 -7.116 -10.828 1.00 6.82 N +ATOM 1060 CA LEU A 140 6.363 -5.985 -10.039 1.00 6.48 C +ATOM 1061 C LEU A 140 5.665 -4.972 -10.979 1.00 6.79 C +ATOM 1062 O LEU A 140 4.612 -4.453 -10.649 1.00 6.22 O +ATOM 1063 CB LEU A 140 7.517 -5.331 -9.278 1.00 7.15 C +ATOM 1064 CG LEU A 140 7.154 -4.005 -8.587 1.00 7.19 C +ATOM 1065 CD1 LEU A 140 6.064 -4.227 -7.516 1.00 7.66 C +ATOM 1066 CD2 LEU A 140 8.365 -3.338 -7.994 1.00 8.00 C +ATOM 1067 N ASP A 141 6.279 -4.659 -12.120 1.00 5.83 N +ATOM 1068 CA ASP A 141 5.682 -3.749 -13.076 1.00 5.98 C +ATOM 1069 C ASP A 141 4.254 -4.233 -13.466 1.00 6.24 C +ATOM 1070 O ASP A 141 3.320 -3.404 -13.527 1.00 6.90 O +ATOM 1071 CB ASP A 141 6.552 -3.656 -14.336 1.00 6.73 C +ATOM 1072 CG ASP A 141 6.131 -2.584 -15.245 1.00 7.09 C +ATOM 1073 OD1 ASP A 141 6.265 -1.410 -14.870 1.00 7.34 O +ATOM 1074 OD2 ASP A 141 5.599 -2.818 -16.370 1.00 8.81 O +ATOM 1075 N ASN A 142 4.096 -5.533 -13.691 1.00 6.17 N +ATOM 1076 CA ASN A 142 2.787 -6.086 -14.029 1.00 6.62 C +ATOM 1077 C ASN A 142 1.786 -5.847 -12.910 1.00 6.43 C +ATOM 1078 O ASN A 142 0.626 -5.477 -13.143 1.00 7.44 O +ATOM 1079 CB ASN A 142 2.883 -7.574 -14.317 1.00 7.45 C +ATOM 1080 CG ASN A 142 3.653 -7.878 -15.575 1.00 9.47 C +ATOM 1081 OD1 ASN A 142 3.799 -7.039 -16.448 1.00 11.02 O +ATOM 1082 ND2 ASN A 142 4.110 -9.114 -15.668 1.00 10.80 N +ATOM 1083 N TYR A 143 2.205 -6.034 -11.655 1.00 6.45 N +ATOM 1084 CA TYR A 143 1.297 -5.747 -10.540 1.00 6.17 C +ATOM 1085 C TYR A 143 0.875 -4.297 -10.502 1.00 6.68 C +ATOM 1086 O TYR A 143 -0.294 -3.987 -10.247 1.00 7.25 O +ATOM 1087 CB TYR A 143 1.911 -6.168 -9.185 1.00 7.46 C +ATOM 1088 CG TYR A 143 0.941 -6.031 -8.014 1.00 7.99 C +ATOM 1089 CD1 TYR A 143 -0.123 -6.898 -7.884 1.00 11.70 C +ATOM 1090 CD2 TYR A 143 1.027 -5.015 -7.091 1.00 7.59 C +ATOM 1091 CE1 TYR A 143 -1.013 -6.789 -6.884 1.00 11.40 C +ATOM 1092 CE2 TYR A 143 0.110 -4.913 -6.052 1.00 9.48 C +ATOM 1093 CZ TYR A 143 -0.923 -5.791 -5.966 1.00 9.90 C +ATOM 1094 OH TYR A 143 -1.873 -5.706 -4.949 1.00 11.14 O +ATOM 1095 N LEU A 144 1.829 -3.398 -10.738 1.00 6.38 N +ATOM 1096 CA LEU A 144 1.568 -1.959 -10.680 1.00 7.02 C +ATOM 1097 C LEU A 144 0.718 -1.465 -11.847 1.00 6.99 C +ATOM 1098 O LEU A 144 0.126 -0.403 -11.728 1.00 10.43 O +ATOM 1099 CB LEU A 144 2.918 -1.181 -10.619 1.00 6.10 C +ATOM 1100 CG LEU A 144 3.646 -1.354 -9.282 1.00 7.54 C +ATOM 1101 CD1 LEU A 144 5.134 -0.923 -9.429 1.00 7.73 C +ATOM 1102 CD2 LEU A 144 2.946 -0.633 -8.159 1.00 10.39 C +ATOM 1103 N THR A 145 0.682 -2.182 -12.954 1.00 5.61 N +ATOM 1104 CA THR A 145 -0.132 -1.792 -14.095 1.00 6.98 C +ATOM 1105 C THR A 145 -1.439 -2.587 -14.184 1.00 8.30 C +ATOM 1106 O THR A 145 -2.256 -2.378 -15.087 1.00 12.74 O +ATOM 1107 CB THR A 145 0.632 -1.864 -15.420 1.00 8.15 C +ATOM 1108 OG1 THR A 145 1.008 -3.233 -15.698 1.00 8.58 O +ATOM 1109 CG2 THR A 145 1.900 -1.044 -15.406 1.00 8.65 C +ATOM 1110 N SER A 146 -1.683 -3.511 -13.279 1.00 7.02 N +ATOM 1111 CA SER A 146 -2.919 -4.295 -13.228 1.00 7.93 C +ATOM 1112 C SER A 146 -3.853 -3.574 -12.271 1.00 7.06 C +ATOM 1113 O SER A 146 -3.404 -2.941 -11.317 1.00 10.29 O +ATOM 1114 CB SER A 146 -2.583 -5.704 -12.725 1.00 8.64 C +ATOM 1115 OG ASER A 146 -2.541 -5.753 -11.286 0.50 12.94 O +ATOM 1116 OG BSER A 146 -3.770 -6.520 -12.502 0.50 10.45 O +ATOM 1117 N PRO A 147 -5.136 -3.596 -12.486 1.00 6.38 N +ATOM 1118 CA PRO A 147 -6.023 -2.799 -11.662 1.00 6.69 C +ATOM 1119 C PRO A 147 -6.390 -3.314 -10.282 1.00 7.76 C +ATOM 1120 O PRO A 147 -6.459 -4.522 -10.073 1.00 7.66 O +ATOM 1121 CB PRO A 147 -7.309 -2.758 -12.488 1.00 8.80 C +ATOM 1122 CG PRO A 147 -7.267 -4.009 -13.245 1.00 7.62 C +ATOM 1123 CD PRO A 147 -5.847 -4.242 -13.613 1.00 6.51 C +ATOM 1124 N LEU A 148 -6.650 -2.369 -9.371 1.00 8.19 N +ATOM 1125 CA LEU A 148 -7.211 -2.672 -8.042 1.00 8.36 C +ATOM 1126 C LEU A 148 -8.472 -1.853 -7.907 1.00 9.25 C +ATOM 1127 O LEU A 148 -8.660 -0.940 -8.710 1.00 9.33 O +ATOM 1128 CB LEU A 148 -6.208 -2.377 -6.899 1.00 9.13 C +ATOM 1129 CG LEU A 148 -5.023 -3.320 -6.798 1.00 9.92 C +ATOM 1130 CD1 LEU A 148 -4.044 -2.787 -5.723 1.00 11.25 C +ATOM 1131 CD2 LEU A 148 -5.369 -4.765 -6.518 1.00 11.99 C +ATOM 1132 N PRO A 149 -9.338 -2.125 -6.921 1.00 9.00 N +ATOM 1133 CA PRO A 149 -10.514 -1.267 -6.716 1.00 10.08 C +ATOM 1134 C PRO A 149 -10.033 0.171 -6.586 1.00 10.77 C +ATOM 1135 O PRO A 149 -9.097 0.471 -5.832 1.00 11.43 O +ATOM 1136 CB PRO A 149 -11.158 -1.858 -5.435 1.00 9.85 C +ATOM 1137 CG PRO A 149 -10.684 -3.297 -5.408 1.00 9.71 C +ATOM 1138 CD PRO A 149 -9.293 -3.209 -5.910 1.00 9.76 C +ATOM 1139 N GLU A 150 -10.727 1.053 -7.297 1.00 10.67 N +ATOM 1140 CA GLU A 150 -10.393 2.482 -7.324 1.00 11.24 C +ATOM 1141 C GLU A 150 -10.793 3.186 -6.045 1.00 11.68 C +ATOM 1142 O GLU A 150 -11.906 3.076 -5.603 1.00 10.69 O +ATOM 1143 CB GLU A 150 -11.104 3.152 -8.500 1.00 10.93 C +ATOM 1144 CG GLU A 150 -10.741 4.604 -8.765 1.00 9.85 C +ATOM 1145 CD GLU A 150 -11.568 5.113 -9.905 1.00 10.71 C +ATOM 1146 OE1 GLU A 150 -12.817 5.030 -9.826 1.00 9.95 O +ATOM 1147 OE2 GLU A 150 -10.982 5.607 -10.920 1.00 11.64 O +ATOM 1148 N GLY A 151 -9.870 3.982 -5.504 1.00 11.71 N +ATOM 1149 CA GLY A 151 -10.049 4.814 -4.337 1.00 11.44 C +ATOM 1150 C GLY A 151 -11.124 5.839 -4.610 1.00 11.47 C +ATOM 1151 O GLY A 151 -11.466 6.230 -5.739 1.00 10.33 O +ATOM 1152 N VAL A 152 -11.696 6.301 -3.529 1.00 12.52 N +ATOM 1153 CA VAL A 152 -12.766 7.263 -3.627 1.00 14.28 C +ATOM 1154 C VAL A 152 -12.332 8.631 -4.121 1.00 14.61 C +ATOM 1155 O VAL A 152 -13.138 9.380 -4.636 1.00 16.15 O +ATOM 1156 CB VAL A 152 -13.452 7.397 -2.261 1.00 15.28 C +ATOM 1157 CG1AVAL A 152 -14.106 6.087 -1.812 0.50 17.02 C +ATOM 1158 CG1BVAL A 152 -14.372 8.583 -2.250 0.50 17.54 C +ATOM 1159 CG2AVAL A 152 -12.712 8.230 -1.211 0.50 14.96 C +ATOM 1160 CG2BVAL A 152 -14.150 6.116 -1.869 0.50 17.00 C +ATOM 1161 N ASP A 153 -11.049 8.919 -4.057 1.00 14.33 N +ATOM 1162 CA ASP A 153 -10.489 10.193 -4.530 1.00 15.84 C +ATOM 1163 C ASP A 153 -10.029 10.210 -5.996 1.00 16.82 C +ATOM 1164 O ASP A 153 -9.285 11.119 -6.423 1.00 17.78 O +ATOM 1165 CB ASP A 153 -9.327 10.562 -3.615 1.00 16.55 C +ATOM 1166 CG ASP A 153 -8.201 9.520 -3.601 1.00 19.73 C +ATOM 1167 OD1 ASP A 153 -8.402 8.271 -3.784 1.00 18.09 O +ATOM 1168 OD2 ASP A 153 -7.015 9.880 -3.376 1.00 24.56 O +ATOM 1169 N GLU A 154 -10.447 9.209 -6.777 1.00 15.98 N +ATOM 1170 CA GLU A 154 -10.137 9.131 -8.209 1.00 15.57 C +ATOM 1171 C GLU A 154 -11.404 8.579 -8.853 1.00 15.24 C +ATOM 1172 O GLU A 154 -11.997 7.627 -8.310 1.00 15.94 O +ATOM 1173 CB GLU A 154 -8.929 8.199 -8.417 1.00 15.95 C +ATOM 1174 CG GLU A 154 -8.518 7.975 -9.877 1.00 16.20 C +ATOM 1175 CD GLU A 154 -8.160 9.268 -10.585 1.00 19.03 C +ATOM 1176 OE1 GLU A 154 -9.039 9.945 -11.179 1.00 18.74 O +ATOM 1177 OE2 GLU A 154 -6.954 9.605 -10.523 1.00 20.84 O +ATOM 1178 N THR A 155 -11.864 9.192 -9.948 1.00 14.80 N +ATOM 1179 CA THR A 155 -13.016 8.682 -10.724 1.00 14.89 C +ATOM 1180 C THR A 155 -12.689 8.402 -12.189 1.00 13.96 C +ATOM 1181 O THR A 155 -13.595 8.088 -12.958 1.00 14.49 O +ATOM 1182 CB THR A 155 -14.242 9.597 -10.643 1.00 15.79 C +ATOM 1183 OG1 THR A 155 -13.976 10.900 -11.214 1.00 18.49 O +ATOM 1184 CG2 THR A 155 -14.625 9.854 -9.199 1.00 16.88 C +ATOM 1185 N SER A 156 -11.430 8.483 -12.580 1.00 12.19 N +ATOM 1186 CA SER A 156 -11.079 8.349 -14.006 1.00 11.52 C +ATOM 1187 C SER A 156 -11.388 6.981 -14.628 1.00 11.34 C +ATOM 1188 O SER A 156 -11.633 6.871 -15.837 1.00 10.23 O +ATOM 1189 CB SER A 156 -9.612 8.714 -14.186 1.00 12.00 C +ATOM 1190 OG SER A 156 -8.717 7.847 -13.465 1.00 13.33 O +ATOM 1191 N ALA A 157 -11.388 5.925 -13.828 1.00 11.54 N +ATOM 1192 CA ALA A 157 -11.606 4.591 -14.404 1.00 11.09 C +ATOM 1193 C ALA A 157 -12.953 4.496 -15.055 1.00 12.09 C +ATOM 1194 O ALA A 157 -13.065 4.075 -16.243 1.00 11.96 O +ATOM 1195 CB ALA A 157 -11.458 3.514 -13.320 1.00 10.53 C +ATOM 1196 N GLU A 158 -13.987 4.854 -14.288 1.00 13.45 N +ATOM 1197 CA GLU A 158 -15.383 4.802 -14.735 1.00 14.40 C +ATOM 1198 C GLU A 158 -15.727 6.026 -15.602 1.00 15.11 C +ATOM 1199 O GLU A 158 -16.532 5.949 -16.525 1.00 16.41 O +ATOM 1200 CB GLU A 158 -16.348 4.679 -13.523 1.00 14.43 C +ATOM 1201 CG GLU A 158 -16.363 5.879 -12.557 1.00 16.25 C +ATOM 1202 CD GLU A 158 -15.340 5.817 -11.442 1.00 16.30 C +ATOM 1203 OE1 GLU A 158 -14.280 5.240 -11.659 1.00 14.11 O +ATOM 1204 OE2 GLU A 158 -15.596 6.396 -10.349 1.00 17.10 O +ATOM 1205 N ASP A 159 -15.096 7.156 -15.345 1.00 15.12 N +ATOM 1206 CA ASP A 159 -15.478 8.388 -16.064 1.00 16.09 C +ATOM 1207 C ASP A 159 -14.895 8.431 -17.495 1.00 15.40 C +ATOM 1208 O ASP A 159 -15.579 8.822 -18.444 1.00 16.18 O +ATOM 1209 CB ASP A 159 -14.985 9.616 -15.299 1.00 15.83 C +ATOM 1210 CG ASP A 159 -15.871 9.995 -14.105 1.00 18.55 C +ATOM 1211 OD1 ASP A 159 -16.938 9.375 -13.869 1.00 20.21 O +ATOM 1212 OD2 ASP A 159 -15.554 10.946 -13.364 1.00 23.18 O +ATOM 1213 N GLU A 160 -13.646 8.008 -17.633 1.00 14.38 N +ATOM 1214 CA GLU A 160 -12.845 8.155 -18.849 1.00 14.82 C +ATOM 1215 C GLU A 160 -12.298 6.845 -19.400 1.00 12.29 C +ATOM 1216 O GLU A 160 -11.831 6.825 -20.519 1.00 11.28 O +ATOM 1217 CB GLU A 160 -11.583 8.997 -18.538 1.00 16.82 C +ATOM 1218 CG GLU A 160 -11.730 10.494 -18.513 1.00 22.05 C +ATOM 1219 CD GLU A 160 -10.440 11.174 -18.074 1.00 26.61 C +ATOM 1220 OE1 GLU A 160 -9.486 10.492 -17.605 1.00 28.90 O +ATOM 1221 OE2 GLU A 160 -10.391 12.411 -18.186 1.00 32.26 O +ATOM 1222 N GLY A 161 -12.239 5.776 -18.597 1.00 10.10 N +ATOM 1223 CA GLY A 161 -11.583 4.551 -19.035 1.00 9.17 C +ATOM 1224 C GLY A 161 -10.092 4.440 -18.661 1.00 7.97 C +ATOM 1225 O GLY A 161 -9.337 3.704 -19.254 1.00 8.67 O +ATOM 1226 N VAL A 162 -9.652 5.193 -17.652 1.00 8.31 N +ATOM 1227 CA VAL A 162 -8.256 5.224 -17.264 1.00 9.90 C +ATOM 1228 C VAL A 162 -8.115 4.811 -15.815 1.00 9.56 C +ATOM 1229 O VAL A 162 -8.431 5.577 -14.909 1.00 9.91 O +ATOM 1230 CB VAL A 162 -7.674 6.667 -17.486 1.00 9.94 C +ATOM 1231 CG1 VAL A 162 -6.271 6.772 -17.029 1.00 12.77 C +ATOM 1232 CG2 VAL A 162 -7.779 7.074 -18.961 1.00 13.11 C +ATOM 1233 N SER A 163 -7.728 3.575 -15.593 1.00 10.67 N +ATOM 1234 CA SER A 163 -7.521 3.062 -14.253 1.00 12.08 C +ATOM 1235 C SER A 163 -6.081 3.343 -13.873 1.00 12.68 C +ATOM 1236 O SER A 163 -5.150 2.987 -14.632 1.00 15.21 O +ATOM 1237 CB SER A 163 -7.799 1.544 -14.253 1.00 13.57 C +ATOM 1238 OG SER A 163 -7.105 0.832 -13.202 1.00 16.80 O +ATOM 1239 N GLN A 164 -5.903 4.010 -12.727 1.00 11.62 N +ATOM 1240 CA GLN A 164 -4.587 4.410 -12.220 1.00 11.59 C +ATOM 1241 C GLN A 164 -4.638 4.512 -10.686 1.00 11.71 C +ATOM 1242 O GLN A 164 -5.717 4.773 -10.102 1.00 13.01 O +ATOM 1243 CB GLN A 164 -4.204 5.788 -12.773 1.00 12.96 C +ATOM 1244 CG GLN A 164 -5.214 6.892 -12.458 1.00 16.52 C +ATOM 1245 CD GLN A 164 -4.901 8.198 -13.209 1.00 18.61 C +ATOM 1246 OE1 GLN A 164 -3.722 8.577 -13.303 1.00 23.02 O +ATOM 1247 NE2 GLN A 164 -5.934 8.884 -13.717 1.00 18.81 N +ATOM 1248 N ARG A 165 -3.489 4.259 -10.046 1.00 10.97 N +ATOM 1249 CA ARG A 165 -3.325 4.436 -8.592 1.00 10.53 C +ATOM 1250 C ARG A 165 -1.870 4.837 -8.324 1.00 10.52 C +ATOM 1251 O ARG A 165 -0.991 4.617 -9.129 1.00 12.78 O +ATOM 1252 CB ARG A 165 -3.713 3.192 -7.808 1.00 8.96 C +ATOM 1253 CG ARG A 165 -2.670 2.107 -7.978 1.00 11.20 C +ATOM 1254 CD ARG A 165 -3.051 0.844 -7.413 1.00 10.94 C +ATOM 1255 NE ARG A 165 -1.996 -0.175 -7.330 1.00 9.23 N +ATOM 1256 CZ ARG A 165 -1.857 -1.201 -8.155 1.00 9.71 C +ATOM 1257 NH1 ARG A 165 -2.565 -1.238 -9.256 1.00 12.42 N +ATOM 1258 NH2 ARG A 165 -0.961 -2.131 -7.906 1.00 9.30 N +ATOM 1259 N LYS A 166 -1.627 5.428 -7.168 1.00 9.26 N +ATOM 1260 CA LYS A 166 -0.272 5.907 -6.908 1.00 8.91 C +ATOM 1261 C LYS A 166 0.750 4.889 -6.417 1.00 8.15 C +ATOM 1262 O LYS A 166 1.919 4.937 -6.834 1.00 8.76 O +ATOM 1263 CB LYS A 166 -0.274 7.070 -5.894 1.00 10.60 C +ATOM 1264 CG LYS A 166 -1.049 8.278 -6.379 1.00 13.37 C +ATOM 1265 CD LYS A 166 -1.084 9.441 -5.427 1.00 18.88 C +ATOM 1266 CE LYS A 166 -2.035 10.534 -5.968 1.00 26.16 C +ATOM 1267 NZ LYS A 166 -2.951 11.049 -4.870 1.00 31.16 N +ATOM 1268 N PHE A 167 0.331 3.969 -5.550 1.00 7.60 N +ATOM 1269 CA PHE A 167 1.254 3.109 -4.809 1.00 8.52 C +ATOM 1270 C PHE A 167 0.883 1.623 -4.944 1.00 7.98 C +ATOM 1271 O PHE A 167 0.064 1.274 -5.803 1.00 9.03 O +ATOM 1272 CB PHE A 167 1.321 3.580 -3.327 1.00 7.99 C +ATOM 1273 CG PHE A 167 1.661 5.030 -3.156 1.00 8.05 C +ATOM 1274 CD1 PHE A 167 2.883 5.525 -3.623 1.00 8.67 C +ATOM 1275 CD2 PHE A 167 0.774 5.916 -2.571 1.00 8.34 C +ATOM 1276 CE1 PHE A 167 3.217 6.863 -3.480 1.00 9.17 C +ATOM 1277 CE2 PHE A 167 1.117 7.245 -2.428 1.00 9.59 C +ATOM 1278 CZ PHE A 167 2.315 7.733 -2.936 1.00 9.94 C +ATOM 1279 N LEU A 168 1.461 0.739 -4.140 1.00 7.39 N +ATOM 1280 CA LEU A 168 1.197 -0.664 -4.291 1.00 7.80 C +ATOM 1281 C LEU A 168 -0.258 -1.055 -4.210 1.00 8.01 C +ATOM 1282 O LEU A 168 -0.754 -1.860 -5.011 1.00 8.45 O +ATOM 1283 CB LEU A 168 1.977 -1.469 -3.261 1.00 8.77 C +ATOM 1284 CG LEU A 168 3.424 -1.810 -3.572 1.00 8.58 C +ATOM 1285 CD1 LEU A 168 4.091 -2.392 -2.311 1.00 8.73 C +ATOM 1286 CD2 LEU A 168 3.515 -2.822 -4.780 1.00 9.69 C +ATOM 1287 N ASP A 169 -0.952 -0.502 -3.226 1.00 7.19 N +ATOM 1288 CA ASP A 169 -2.266 -0.959 -2.846 1.00 8.41 C +ATOM 1289 C ASP A 169 -3.400 -0.018 -3.152 1.00 9.14 C +ATOM 1290 O ASP A 169 -4.560 -0.357 -2.933 1.00 11.39 O +ATOM 1291 CB ASP A 169 -2.268 -1.181 -1.314 1.00 9.04 C +ATOM 1292 CG ASP A 169 -3.409 -2.038 -0.832 1.00 10.07 C +ATOM 1293 OD1 ASP A 169 -3.530 -3.207 -1.278 1.00 9.02 O +ATOM 1294 OD2 ASP A 169 -4.218 -1.630 0.042 1.00 10.88 O +ATOM 1295 N GLY A 170 -3.076 1.161 -3.664 1.00 8.16 N +ATOM 1296 CA GLY A 170 -4.020 2.237 -3.793 1.00 7.94 C +ATOM 1297 C GLY A 170 -3.321 3.577 -3.762 1.00 7.54 C +ATOM 1298 O GLY A 170 -2.124 3.666 -4.064 1.00 7.98 O +ATOM 1299 N ASN A 171 -4.045 4.595 -3.352 1.00 7.67 N +ATOM 1300 CA ASN A 171 -3.516 5.941 -3.402 1.00 8.59 C +ATOM 1301 C ASN A 171 -2.853 6.428 -2.119 1.00 9.26 C +ATOM 1302 O ASN A 171 -2.420 7.555 -2.087 1.00 11.67 O +ATOM 1303 CB ASN A 171 -4.601 6.910 -3.844 1.00 9.61 C +ATOM 1304 CG ASN A 171 -5.016 6.688 -5.307 1.00 11.41 C +ATOM 1305 OD1 ASN A 171 -4.175 6.386 -6.145 1.00 11.34 O +ATOM 1306 ND2 ASN A 171 -6.306 6.938 -5.608 1.00 11.37 N +ATOM 1307 N GLU A 172 -2.838 5.606 -1.097 1.00 9.54 N +ATOM 1308 CA GLU A 172 -2.163 5.925 0.167 1.00 10.58 C +ATOM 1309 C GLU A 172 -0.997 4.970 0.409 1.00 9.59 C +ATOM 1310 O GLU A 172 -1.068 3.793 0.042 1.00 9.29 O +ATOM 1311 CB GLU A 172 -3.163 5.853 1.318 1.00 14.21 C +ATOM 1312 CG GLU A 172 -4.348 6.828 1.256 1.00 17.74 C +ATOM 1313 CD GLU A 172 -3.982 8.301 1.167 1.00 21.02 C +ATOM 1314 OE1 GLU A 172 -2.906 8.722 1.673 1.00 26.98 O +ATOM 1315 OE2 GLU A 172 -4.816 9.119 0.642 1.00 26.60 O +ATOM 1316 N LEU A 173 0.066 5.460 1.032 1.00 8.45 N +ATOM 1317 CA LEU A 173 1.157 4.597 1.417 1.00 7.65 C +ATOM 1318 C LEU A 173 0.714 3.592 2.499 1.00 8.15 C +ATOM 1319 O LEU A 173 -0.013 3.960 3.440 1.00 9.85 O +ATOM 1320 CB LEU A 173 2.352 5.431 1.909 1.00 7.82 C +ATOM 1321 CG LEU A 173 3.081 6.248 0.835 1.00 7.59 C +ATOM 1322 CD1 LEU A 173 3.966 7.276 1.476 1.00 9.09 C +ATOM 1323 CD2 LEU A 173 3.866 5.299 -0.098 1.00 8.84 C +ATOM 1324 N THR A 174 1.127 2.357 2.334 1.00 7.44 N +ATOM 1325 CA THR A 174 0.814 1.280 3.286 1.00 7.77 C +ATOM 1326 C THR A 174 2.089 0.647 3.824 1.00 7.51 C +ATOM 1327 O THR A 174 3.205 0.929 3.369 1.00 7.48 O +ATOM 1328 CB THR A 174 -0.024 0.147 2.611 1.00 9.24 C +ATOM 1329 OG1 THR A 174 0.693 -0.382 1.484 1.00 9.01 O +ATOM 1330 CG2 THR A 174 -1.368 0.643 2.143 1.00 9.55 C +ATOM 1331 N LEU A 175 1.938 -0.270 4.768 1.00 8.23 N +ATOM 1332 CA LEU A 175 3.079 -1.006 5.284 1.00 8.03 C +ATOM 1333 C LEU A 175 3.872 -1.676 4.142 1.00 8.31 C +ATOM 1334 O LEU A 175 5.091 -1.777 4.157 1.00 7.58 O +ATOM 1335 CB LEU A 175 2.665 -2.098 6.314 1.00 7.33 C +ATOM 1336 CG LEU A 175 1.960 -1.569 7.548 1.00 8.53 C +ATOM 1337 CD1 LEU A 175 1.585 -2.732 8.460 1.00 9.56 C +ATOM 1338 CD2 LEU A 175 2.799 -0.574 8.325 1.00 8.13 C +ATOM 1339 N ALA A 176 3.168 -2.144 3.124 1.00 7.79 N +ATOM 1340 CA ALA A 176 3.846 -2.802 1.992 1.00 8.04 C +ATOM 1341 C ALA A 176 4.828 -1.873 1.326 1.00 7.77 C +ATOM 1342 O ALA A 176 5.912 -2.303 0.950 1.00 7.30 O +ATOM 1343 CB ALA A 176 2.844 -3.385 0.998 1.00 9.93 C +ATOM 1344 N ASP A 177 4.445 -0.618 1.156 1.00 6.33 N +ATOM 1345 CA ASP A 177 5.337 0.358 0.518 1.00 6.80 C +ATOM 1346 C ASP A 177 6.528 0.690 1.415 1.00 6.40 C +ATOM 1347 O ASP A 177 7.619 0.917 0.964 1.00 5.86 O +ATOM 1348 CB ASP A 177 4.616 1.672 0.216 1.00 7.34 C +ATOM 1349 CG ASP A 177 3.420 1.496 -0.674 1.00 7.54 C +ATOM 1350 OD1 ASP A 177 3.577 1.185 -1.893 1.00 8.05 O +ATOM 1351 OD2 ASP A 177 2.284 1.723 -0.204 1.00 8.68 O +ATOM 1352 N CYS A 178 6.289 0.704 2.732 1.00 6.54 N +ATOM 1353 CA CYS A 178 7.354 0.943 3.680 1.00 6.81 C +ATOM 1354 C CYS A 178 8.438 -0.127 3.626 1.00 6.74 C +ATOM 1355 O CYS A 178 9.633 0.159 3.830 1.00 6.65 O +ATOM 1356 CB CYS A 178 6.816 1.076 5.126 1.00 6.90 C +ATOM 1357 SG CYS A 178 5.683 2.467 5.381 1.00 7.11 S +ATOM 1358 N ASN A 179 8.060 -1.373 3.335 1.00 7.75 N +ATOM 1359 CA ASN A 179 9.053 -2.427 3.151 1.00 9.08 C +ATOM 1360 C ASN A 179 9.734 -2.325 1.799 1.00 8.48 C +ATOM 1361 O ASN A 179 10.980 -2.345 1.690 1.00 8.95 O +ATOM 1362 CB ASN A 179 8.362 -3.759 3.335 1.00 10.23 C +ATOM 1363 CG ASN A 179 9.279 -4.928 3.413 1.00 14.89 C +ATOM 1364 OD1 ASN A 179 10.372 -5.025 2.830 1.00 17.03 O +ATOM 1365 ND2 ASN A 179 8.810 -5.900 4.186 1.00 21.55 N +ATOM 1366 N LEU A 180 8.933 -2.164 0.734 1.00 6.93 N +ATOM 1367 CA LEU A 180 9.486 -2.247 -0.593 1.00 7.38 C +ATOM 1368 C LEU A 180 10.294 -1.024 -1.051 1.00 6.75 C +ATOM 1369 O LEU A 180 11.388 -1.179 -1.661 1.00 7.27 O +ATOM 1370 CB LEU A 180 8.388 -2.531 -1.608 1.00 7.87 C +ATOM 1371 CG LEU A 180 8.836 -2.774 -3.056 1.00 8.36 C +ATOM 1372 CD1 LEU A 180 9.713 -3.955 -3.177 1.00 10.16 C +ATOM 1373 CD2 LEU A 180 7.583 -2.942 -3.944 1.00 9.38 C +ATOM 1374 N LEU A 181 9.807 0.190 -0.783 1.00 5.69 N +ATOM 1375 CA LEU A 181 10.469 1.380 -1.338 1.00 6.44 C +ATOM 1376 C LEU A 181 11.912 1.555 -0.872 1.00 6.62 C +ATOM 1377 O LEU A 181 12.778 1.873 -1.706 1.00 7.52 O +ATOM 1378 CB LEU A 181 9.629 2.619 -1.019 1.00 6.17 C +ATOM 1379 CG LEU A 181 8.384 2.793 -1.900 1.00 6.52 C +ATOM 1380 CD1 LEU A 181 7.465 3.892 -1.285 1.00 6.64 C +ATOM 1381 CD2 LEU A 181 8.719 3.143 -3.317 1.00 7.39 C +ATOM 1382 N PRO A 182 12.246 1.361 0.409 1.00 5.69 N +ATOM 1383 CA PRO A 182 13.669 1.483 0.798 1.00 6.65 C +ATOM 1384 C PRO A 182 14.573 0.510 0.020 1.00 7.62 C +ATOM 1385 O PRO A 182 15.694 0.840 -0.353 1.00 7.64 O +ATOM 1386 CB PRO A 182 13.671 1.180 2.304 1.00 6.53 C +ATOM 1387 CG PRO A 182 12.294 1.633 2.733 1.00 6.44 C +ATOM 1388 CD PRO A 182 11.360 1.172 1.577 1.00 7.24 C +ATOM 1389 N LYS A 183 14.050 -0.683 -0.241 1.00 7.46 N +ATOM 1390 CA LYS A 183 14.810 -1.694 -0.991 1.00 7.66 C +ATOM 1391 C LYS A 183 14.981 -1.296 -2.441 1.00 7.53 C +ATOM 1392 O LYS A 183 16.096 -1.368 -2.983 1.00 7.32 O +ATOM 1393 CB LYS A 183 14.139 -3.044 -0.829 1.00 8.46 C +ATOM 1394 CG LYS A 183 14.338 -3.635 0.560 1.00 8.90 C +ATOM 1395 CD LYS A 183 13.507 -4.833 0.750 1.00 10.80 C +ATOM 1396 CE LYS A 183 13.737 -5.492 2.077 1.00 12.69 C +ATOM 1397 NZ LYS A 183 12.806 -6.617 2.376 1.00 15.50 N +ATOM 1398 N LEU A 184 13.913 -0.875 -3.103 1.00 6.86 N +ATOM 1399 CA LEU A 184 14.025 -0.420 -4.487 1.00 8.40 C +ATOM 1400 C LEU A 184 14.965 0.754 -4.615 1.00 8.17 C +ATOM 1401 O LEU A 184 15.685 0.881 -5.591 1.00 7.98 O +ATOM 1402 CB LEU A 184 12.674 -0.030 -5.049 1.00 10.06 C +ATOM 1403 CG LEU A 184 11.727 -1.171 -5.300 1.00 10.73 C +ATOM 1404 CD1 LEU A 184 10.362 -0.646 -5.835 1.00 11.22 C +ATOM 1405 CD2 LEU A 184 12.292 -2.173 -6.269 1.00 12.23 C +ATOM 1406 N HIS A 185 14.943 1.656 -3.636 1.00 7.07 N +ATOM 1407 CA HIS A 185 15.848 2.781 -3.683 1.00 7.43 C +ATOM 1408 C HIS A 185 17.328 2.344 -3.674 1.00 7.43 C +ATOM 1409 O HIS A 185 18.140 2.862 -4.464 1.00 7.15 O +ATOM 1410 CB HIS A 185 15.553 3.769 -2.539 1.00 8.69 C +ATOM 1411 CG HIS A 185 16.323 5.020 -2.656 1.00 9.31 C +ATOM 1412 ND1 HIS A 185 17.312 5.391 -1.768 1.00 11.84 N +ATOM 1413 CD2 HIS A 185 16.312 5.947 -3.632 1.00 9.56 C +ATOM 1414 CE1 HIS A 185 17.848 6.539 -2.180 1.00 9.22 C +ATOM 1415 NE2 HIS A 185 17.256 6.892 -3.303 1.00 13.73 N +ATOM 1416 N ILE A 186 17.664 1.416 -2.792 1.00 6.36 N +ATOM 1417 CA ILE A 186 19.000 0.846 -2.756 1.00 6.47 C +ATOM 1418 C ILE A 186 19.352 0.196 -4.090 1.00 6.59 C +ATOM 1419 O ILE A 186 20.425 0.415 -4.624 1.00 6.22 O +ATOM 1420 CB ILE A 186 19.148 -0.130 -1.575 1.00 6.55 C +ATOM 1421 CG1 ILE A 186 19.065 0.613 -0.259 1.00 7.05 C +ATOM 1422 CG2 ILE A 186 20.488 -0.904 -1.691 1.00 7.50 C +ATOM 1423 CD1 ILE A 186 18.786 -0.330 0.893 1.00 9.53 C +ATOM 1424 N VAL A 187 18.452 -0.599 -4.620 1.00 6.10 N +ATOM 1425 CA VAL A 187 18.680 -1.238 -5.929 1.00 6.97 C +ATOM 1426 C VAL A 187 19.058 -0.179 -6.951 1.00 7.07 C +ATOM 1427 O VAL A 187 20.044 -0.288 -7.699 1.00 7.86 O +ATOM 1428 CB VAL A 187 17.455 -2.033 -6.386 1.00 7.56 C +ATOM 1429 CG1 VAL A 187 17.624 -2.512 -7.825 1.00 8.55 C +ATOM 1430 CG2 VAL A 187 17.144 -3.169 -5.460 1.00 8.15 C +ATOM 1431 N GLN A 188 18.268 0.893 -7.028 1.00 7.13 N +ATOM 1432 CA GLN A 188 18.529 1.919 -7.997 1.00 7.82 C +ATOM 1433 C GLN A 188 19.888 2.572 -7.848 1.00 7.76 C +ATOM 1434 O GLN A 188 20.670 2.714 -8.819 1.00 7.71 O +ATOM 1435 CB GLN A 188 17.476 3.035 -7.987 1.00 8.82 C +ATOM 1436 CG GLN A 188 16.176 2.679 -8.549 1.00 11.03 C +ATOM 1437 CD GLN A 188 15.363 3.911 -8.913 1.00 14.68 C +ATOM 1438 OE1 GLN A 188 14.975 4.623 -8.047 1.00 17.12 O +ATOM 1439 NE2 GLN A 188 15.164 4.163 -10.227 1.00 14.62 N +ATOM 1440 N VAL A 189 20.195 3.022 -6.639 1.00 6.56 N +ATOM 1441 CA VAL A 189 21.422 3.754 -6.403 1.00 7.63 C +ATOM 1442 C VAL A 189 22.635 2.862 -6.645 1.00 6.85 C +ATOM 1443 O VAL A 189 23.590 3.279 -7.298 1.00 6.96 O +ATOM 1444 CB VAL A 189 21.442 4.363 -4.959 1.00 8.05 C +ATOM 1445 CG1 VAL A 189 22.803 4.921 -4.600 1.00 8.98 C +ATOM 1446 CG2 VAL A 189 20.355 5.442 -4.845 1.00 8.49 C +ATOM 1447 N VAL A 190 22.615 1.651 -6.090 1.00 6.05 N +ATOM 1448 CA VAL A 190 23.760 0.779 -6.176 1.00 6.28 C +ATOM 1449 C VAL A 190 23.978 0.259 -7.600 1.00 6.79 C +ATOM 1450 O VAL A 190 25.127 0.189 -8.094 1.00 6.32 O +ATOM 1451 CB VAL A 190 23.660 -0.345 -5.133 1.00 6.21 C +ATOM 1452 CG1 VAL A 190 24.795 -1.381 -5.264 1.00 7.62 C +ATOM 1453 CG2 VAL A 190 23.587 0.201 -3.713 1.00 7.39 C +ATOM 1454 N CYS A 191 22.906 -0.147 -8.262 1.00 5.95 N +ATOM 1455 CA CYS A 191 23.074 -0.605 -9.638 1.00 6.48 C +ATOM 1456 C CYS A 191 23.582 0.479 -10.581 1.00 6.62 C +ATOM 1457 O CYS A 191 24.360 0.177 -11.502 1.00 7.08 O +ATOM 1458 CB CYS A 191 21.772 -1.225 -10.197 1.00 7.06 C +ATOM 1459 SG CYS A 191 21.286 -2.795 -9.450 1.00 7.73 S +ATOM 1460 N LYS A 192 23.137 1.722 -10.408 1.00 6.96 N +ATOM 1461 CA LYS A 192 23.640 2.790 -11.239 1.00 7.95 C +ATOM 1462 C LYS A 192 25.150 2.973 -11.010 1.00 7.97 C +ATOM 1463 O LYS A 192 25.952 3.033 -11.963 1.00 9.31 O +ATOM 1464 CB LYS A 192 22.876 4.100 -10.987 1.00 10.29 C +ATOM 1465 CG LYS A 192 23.297 5.218 -11.924 1.00 15.19 C +ATOM 1466 CD LYS A 192 22.299 6.387 -11.907 1.00 21.96 C +ATOM 1467 CE LYS A 192 22.785 7.549 -12.800 1.00 27.76 C +ATOM 1468 NZ LYS A 192 22.035 8.830 -12.613 1.00 32.63 N +ATOM 1469 N LYS A 193 25.541 3.018 -9.735 1.00 7.81 N +ATOM 1470 CA LYS A 193 26.943 3.292 -9.391 1.00 8.02 C +ATOM 1471 C LYS A 193 27.880 2.191 -9.876 1.00 7.53 C +ATOM 1472 O LYS A 193 28.925 2.488 -10.463 1.00 8.92 O +ATOM 1473 CB LYS A 193 27.066 3.463 -7.861 1.00 9.13 C +ATOM 1474 CG LYS A 193 28.475 3.482 -7.259 1.00 12.61 C +ATOM 1475 CD LYS A 193 29.208 4.694 -7.528 1.00 13.58 C +ATOM 1476 CE LYS A 193 30.550 4.800 -6.771 1.00 14.62 C +ATOM 1477 NZ LYS A 193 31.276 6.019 -7.204 1.00 16.38 N +ATOM 1478 N TYR A 194 27.521 0.949 -9.573 1.00 5.93 N +ATOM 1479 CA TYR A 194 28.492 -0.122 -9.763 1.00 6.25 C +ATOM 1480 C TYR A 194 28.302 -0.945 -11.018 1.00 6.30 C +ATOM 1481 O TYR A 194 29.159 -1.762 -11.358 1.00 6.56 O +ATOM 1482 CB TYR A 194 28.472 -1.068 -8.545 1.00 6.73 C +ATOM 1483 CG TYR A 194 28.978 -0.454 -7.248 1.00 7.70 C +ATOM 1484 CD1 TYR A 194 30.342 -0.266 -7.024 1.00 10.04 C +ATOM 1485 CD2 TYR A 194 28.107 -0.015 -6.251 1.00 8.81 C +ATOM 1486 CE1 TYR A 194 30.817 0.297 -5.832 1.00 10.29 C +ATOM 1487 CE2 TYR A 194 28.566 0.528 -5.062 1.00 9.46 C +ATOM 1488 CZ TYR A 194 29.920 0.650 -4.849 1.00 9.40 C +ATOM 1489 OH TYR A 194 30.393 1.147 -3.682 1.00 12.72 O +ATOM 1490 N ARG A 195 27.199 -0.772 -11.710 1.00 5.91 N +ATOM 1491 CA ARG A 195 26.942 -1.474 -12.972 1.00 5.91 C +ATOM 1492 C ARG A 195 26.493 -0.590 -14.126 1.00 5.81 C +ATOM 1493 O ARG A 195 26.349 -1.068 -15.257 1.00 6.57 O +ATOM 1494 CB ARG A 195 25.899 -2.600 -12.778 1.00 6.28 C +ATOM 1495 CG ARG A 195 26.397 -3.743 -11.930 1.00 6.24 C +ATOM 1496 CD ARG A 195 27.350 -4.668 -12.725 1.00 6.56 C +ATOM 1497 NE ARG A 195 27.738 -5.873 -11.966 1.00 6.42 N +ATOM 1498 CZ ARG A 195 28.682 -5.893 -11.031 1.00 6.38 C +ATOM 1499 NH1 ARG A 195 29.367 -4.789 -10.752 1.00 6.76 N +ATOM 1500 NH2 ARG A 195 28.924 -6.985 -10.366 1.00 6.73 N +ATOM 1501 N GLY A 196 26.208 0.670 -13.874 1.00 6.04 N +ATOM 1502 CA GLY A 196 25.616 1.481 -14.934 1.00 6.90 C +ATOM 1503 C GLY A 196 24.262 0.955 -15.381 1.00 8.36 C +ATOM 1504 O GLY A 196 23.871 1.133 -16.558 1.00 10.90 O +ATOM 1505 N PHE A 197 23.569 0.257 -14.504 1.00 7.62 N +ATOM 1506 CA PHE A 197 22.284 -0.388 -14.795 1.00 7.61 C +ATOM 1507 C PHE A 197 21.164 0.426 -14.243 1.00 8.40 C +ATOM 1508 O PHE A 197 21.208 0.852 -13.099 1.00 9.46 O +ATOM 1509 CB PHE A 197 22.248 -1.785 -14.140 1.00 9.55 C +ATOM 1510 CG PHE A 197 20.886 -2.503 -14.199 1.00 11.14 C +ATOM 1511 CD1 PHE A 197 20.545 -3.325 -15.267 1.00 12.75 C +ATOM 1512 CD2 PHE A 197 19.932 -2.261 -13.229 1.00 12.92 C +ATOM 1513 CE1 PHE A 197 19.311 -3.940 -15.321 1.00 12.53 C +ATOM 1514 CE2 PHE A 197 18.685 -2.888 -13.290 1.00 13.27 C +ATOM 1515 CZ PHE A 197 18.399 -3.724 -14.331 1.00 13.30 C +ATOM 1516 N THR A 198 20.152 0.624 -15.050 1.00 8.90 N +ATOM 1517 CA THR A 198 18.953 1.318 -14.622 1.00 9.81 C +ATOM 1518 C THR A 198 17.711 0.468 -14.898 1.00 8.57 C +ATOM 1519 O THR A 198 17.678 -0.393 -15.751 1.00 10.52 O +ATOM 1520 CB THR A 198 18.779 2.631 -15.337 1.00 10.98 C +ATOM 1521 OG1 THR A 198 18.769 2.445 -16.769 1.00 15.77 O +ATOM 1522 CG2 THR A 198 19.886 3.562 -15.010 1.00 15.25 C +ATOM 1523 N ILE A 199 16.661 0.745 -14.151 1.00 7.48 N +ATOM 1524 CA ILE A 199 15.375 0.082 -14.343 1.00 8.02 C +ATOM 1525 C ILE A 199 14.849 0.588 -15.691 1.00 7.82 C +ATOM 1526 O ILE A 199 14.725 1.774 -15.875 1.00 7.39 O +ATOM 1527 CB ILE A 199 14.381 0.419 -13.226 1.00 8.25 C +ATOM 1528 CG1 ILE A 199 14.874 -0.087 -11.869 1.00 8.56 C +ATOM 1529 CG2 ILE A 199 13.014 -0.173 -13.518 1.00 9.46 C +ATOM 1530 CD1 ILE A 199 14.065 0.392 -10.674 1.00 9.83 C +ATOM 1531 N PRO A 200 14.537 -0.308 -16.620 1.00 6.74 N +ATOM 1532 CA PRO A 200 14.134 0.150 -17.944 1.00 8.29 C +ATOM 1533 C PRO A 200 12.975 1.144 -17.908 1.00 8.05 C +ATOM 1534 O PRO A 200 11.995 0.983 -17.197 1.00 7.28 O +ATOM 1535 CB PRO A 200 13.704 -1.173 -18.622 1.00 9.44 C +ATOM 1536 CG PRO A 200 14.520 -2.232 -17.991 1.00 9.03 C +ATOM 1537 CD PRO A 200 14.693 -1.778 -16.566 1.00 7.69 C +ATOM 1538 N GLU A 201 13.077 2.176 -18.754 1.00 8.09 N +ATOM 1539 CA GLU A 201 11.978 3.141 -18.954 1.00 8.13 C +ATOM 1540 C GLU A 201 10.682 2.459 -19.416 1.00 8.37 C +ATOM 1541 O GLU A 201 9.616 2.964 -19.172 1.00 8.90 O +ATOM 1542 CB GLU A 201 12.419 4.264 -19.913 1.00 9.85 C +ATOM 1543 CG GLU A 201 13.519 5.151 -19.272 1.00 11.03 C +ATOM 1544 CD GLU A 201 12.997 5.942 -18.098 1.00 14.86 C +ATOM 1545 OE1 GLU A 201 11.820 6.258 -18.063 1.00 17.97 O +ATOM 1546 OE2 GLU A 201 13.748 6.249 -17.146 1.00 23.35 O +ATOM 1547 N ALA A 202 10.811 1.320 -20.081 1.00 7.31 N +ATOM 1548 CA ALA A 202 9.657 0.527 -20.512 1.00 8.04 C +ATOM 1549 C ALA A 202 8.845 -0.004 -19.356 1.00 7.78 C +ATOM 1550 O ALA A 202 7.701 -0.431 -19.560 1.00 9.50 O +ATOM 1551 CB ALA A 202 10.082 -0.612 -21.371 1.00 9.53 C +ATOM 1552 N PHE A 203 9.383 -0.001 -18.144 1.00 6.77 N +ATOM 1553 CA PHE A 203 8.615 -0.494 -16.972 1.00 6.85 C +ATOM 1554 C PHE A 203 7.885 0.711 -16.406 1.00 7.00 C +ATOM 1555 O PHE A 203 8.315 1.338 -15.441 1.00 6.60 O +ATOM 1556 CB PHE A 203 9.526 -1.114 -15.919 1.00 7.10 C +ATOM 1557 CG PHE A 203 10.215 -2.426 -16.342 1.00 7.75 C +ATOM 1558 CD1 PHE A 203 10.044 -3.019 -17.580 1.00 10.42 C +ATOM 1559 CD2 PHE A 203 11.049 -3.033 -15.466 1.00 10.45 C +ATOM 1560 CE1 PHE A 203 10.725 -4.192 -17.907 1.00 11.14 C +ATOM 1561 CE2 PHE A 203 11.711 -4.185 -15.798 1.00 10.28 C +ATOM 1562 CZ PHE A 203 11.575 -4.747 -16.987 1.00 10.55 C +ATOM 1563 N ARG A 204 6.751 1.055 -17.030 1.00 7.11 N +ATOM 1564 CA ARG A 204 6.023 2.247 -16.652 1.00 7.88 C +ATOM 1565 C ARG A 204 5.447 2.179 -15.277 1.00 7.34 C +ATOM 1566 O ARG A 204 5.391 3.200 -14.584 1.00 7.96 O +ATOM 1567 CB ARG A 204 4.876 2.548 -17.637 1.00 8.43 C +ATOM 1568 CG ARG A 204 5.287 2.665 -19.057 1.00 9.98 C +ATOM 1569 CD ARG A 204 6.321 3.660 -19.320 1.00 9.62 C +ATOM 1570 NE ARG A 204 6.076 4.929 -18.679 1.00 8.80 N +ATOM 1571 CZ ARG A 204 6.906 5.630 -17.990 1.00 13.26 C +ATOM 1572 NH1 ARG A 204 8.205 5.294 -17.888 1.00 14.22 N +ATOM 1573 NH2 ARG A 204 6.403 6.697 -17.380 1.00 12.84 N +ATOM 1574 N GLY A 205 4.959 1.021 -14.868 1.00 6.57 N +ATOM 1575 CA GLY A 205 4.411 0.884 -13.528 1.00 7.54 C +ATOM 1576 C GLY A 205 5.453 1.188 -12.461 1.00 6.84 C +ATOM 1577 O GLY A 205 5.180 1.940 -11.545 1.00 6.81 O +ATOM 1578 N VAL A 206 6.636 0.627 -12.622 1.00 6.87 N +ATOM 1579 CA VAL A 206 7.706 0.839 -11.649 1.00 6.63 C +ATOM 1580 C VAL A 206 8.135 2.303 -11.638 1.00 6.86 C +ATOM 1581 O VAL A 206 8.262 2.903 -10.562 1.00 7.22 O +ATOM 1582 CB VAL A 206 8.897 -0.086 -11.904 1.00 6.61 C +ATOM 1583 CG1 VAL A 206 10.022 0.187 -10.903 1.00 8.65 C +ATOM 1584 CG2 VAL A 206 8.500 -1.526 -11.794 1.00 7.55 C +ATOM 1585 N HIS A 207 8.291 2.912 -12.804 1.00 6.64 N +ATOM 1586 CA HIS A 207 8.681 4.302 -12.837 1.00 6.85 C +ATOM 1587 C HIS A 207 7.647 5.268 -12.300 1.00 7.14 C +ATOM 1588 O HIS A 207 8.027 6.218 -11.576 1.00 7.83 O +ATOM 1589 CB HIS A 207 9.137 4.699 -14.261 1.00 7.52 C +ATOM 1590 CG HIS A 207 10.544 4.242 -14.541 1.00 7.12 C +ATOM 1591 ND1 HIS A 207 11.638 4.881 -13.982 1.00 10.84 N +ATOM 1592 CD2 HIS A 207 11.028 3.198 -15.253 1.00 7.17 C +ATOM 1593 CE1 HIS A 207 12.741 4.269 -14.377 1.00 10.66 C +ATOM 1594 NE2 HIS A 207 12.401 3.239 -15.152 1.00 9.01 N +ATOM 1595 N ARG A 208 6.385 5.042 -12.598 1.00 6.41 N +ATOM 1596 CA ARG A 208 5.306 5.875 -12.047 1.00 6.36 C +ATOM 1597 C ARG A 208 5.289 5.748 -10.499 1.00 7.42 C +ATOM 1598 O ARG A 208 5.190 6.782 -9.777 1.00 8.03 O +ATOM 1599 CB ARG A 208 3.932 5.494 -12.580 1.00 6.87 C +ATOM 1600 CG ARG A 208 3.710 5.701 -14.065 1.00 6.85 C +ATOM 1601 CD ARG A 208 2.505 4.818 -14.557 1.00 7.86 C +ATOM 1602 NE ARG A 208 2.359 4.905 -15.989 1.00 6.48 N +ATOM 1603 CZ ARG A 208 1.743 3.996 -16.729 1.00 7.87 C +ATOM 1604 NH1 ARG A 208 1.137 2.970 -16.131 1.00 7.66 N +ATOM 1605 NH2 ARG A 208 1.708 4.145 -18.053 1.00 7.51 N +ATOM 1606 N TYR A 209 5.429 4.512 -9.998 1.00 6.51 N +ATOM 1607 CA TYR A 209 5.450 4.282 -8.572 1.00 7.40 C +ATOM 1608 C TYR A 209 6.587 5.044 -7.892 1.00 6.89 C +ATOM 1609 O TYR A 209 6.358 5.724 -6.876 1.00 7.31 O +ATOM 1610 CB TYR A 209 5.593 2.789 -8.372 1.00 7.21 C +ATOM 1611 CG TYR A 209 5.676 2.260 -6.937 1.00 6.36 C +ATOM 1612 CD1 TYR A 209 4.826 2.717 -5.950 1.00 7.17 C +ATOM 1613 CD2 TYR A 209 6.638 1.360 -6.578 1.00 6.60 C +ATOM 1614 CE1 TYR A 209 4.914 2.195 -4.656 1.00 7.23 C +ATOM 1615 CE2 TYR A 209 6.705 0.807 -5.344 1.00 7.17 C +ATOM 1616 CZ TYR A 209 5.856 1.243 -4.363 1.00 5.92 C +ATOM 1617 OH TYR A 209 5.924 0.662 -3.114 1.00 7.17 O +ATOM 1618 N LEU A 210 7.805 4.909 -8.413 1.00 7.44 N +ATOM 1619 CA LEU A 210 8.929 5.579 -7.818 1.00 7.12 C +ATOM 1620 C LEU A 210 8.810 7.095 -7.900 1.00 8.11 C +ATOM 1621 O LEU A 210 9.163 7.778 -6.951 1.00 8.01 O +ATOM 1622 CB LEU A 210 10.217 5.084 -8.464 1.00 8.29 C +ATOM 1623 CG LEU A 210 10.592 3.629 -8.182 1.00 9.51 C +ATOM 1624 CD1 LEU A 210 11.769 3.219 -9.034 1.00 11.21 C +ATOM 1625 CD2 LEU A 210 10.897 3.465 -6.682 1.00 11.62 C +ATOM 1626 N SER A 211 8.295 7.635 -9.013 1.00 7.64 N +ATOM 1627 CA SER A 211 8.052 9.073 -9.130 1.00 9.10 C +ATOM 1628 C SER A 211 7.044 9.546 -8.056 1.00 7.65 C +ATOM 1629 O SER A 211 7.233 10.568 -7.363 1.00 8.42 O +ATOM 1630 CB SER A 211 7.561 9.366 -10.526 1.00 10.83 C +ATOM 1631 OG ASER A 211 8.617 9.317 -11.464 0.50 11.93 O +ATOM 1632 OG BSER A 211 7.400 10.762 -10.754 0.50 13.89 O +ATOM 1633 N ASN A 212 5.956 8.808 -7.894 1.00 7.20 N +ATOM 1634 CA ASN A 212 4.968 9.148 -6.904 1.00 8.24 C +ATOM 1635 C ASN A 212 5.533 9.086 -5.488 1.00 7.32 C +ATOM 1636 O ASN A 212 5.235 9.908 -4.611 1.00 8.56 O +ATOM 1637 CB ASN A 212 3.753 8.250 -6.982 1.00 9.81 C +ATOM 1638 CG ASN A 212 3.021 8.346 -8.313 1.00 11.75 C +ATOM 1639 OD1 ASN A 212 3.111 9.328 -9.009 1.00 15.25 O +ATOM 1640 ND2 ASN A 212 2.311 7.287 -8.659 1.00 12.26 N +ATOM 1641 N ALA A 213 6.382 8.090 -5.238 1.00 7.44 N +ATOM 1642 CA ALA A 213 7.005 7.947 -3.932 1.00 8.00 C +ATOM 1643 C ALA A 213 8.024 9.007 -3.621 1.00 7.93 C +ATOM 1644 O ALA A 213 8.026 9.551 -2.486 1.00 7.86 O +ATOM 1645 CB ALA A 213 7.629 6.619 -3.823 1.00 8.91 C +ATOM 1646 N TYR A 214 8.855 9.375 -4.601 1.00 8.88 N +ATOM 1647 CA TYR A 214 9.846 10.420 -4.371 1.00 10.58 C +ATOM 1648 C TYR A 214 9.167 11.760 -4.060 1.00 10.36 C +ATOM 1649 O TYR A 214 9.784 12.612 -3.415 1.00 12.68 O +ATOM 1650 CB TYR A 214 10.928 10.501 -5.511 1.00 11.89 C +ATOM 1651 CG TYR A 214 11.919 9.282 -5.481 1.00 16.28 C +ATOM 1652 CD1 TYR A 214 12.801 9.059 -4.422 1.00 21.34 C +ATOM 1653 CD2 TYR A 214 11.903 8.311 -6.462 1.00 18.52 C +ATOM 1654 CE1 TYR A 214 13.660 7.911 -4.391 1.00 22.15 C +ATOM 1655 CE2 TYR A 214 12.699 7.211 -6.443 1.00 17.56 C +ATOM 1656 CZ TYR A 214 13.603 6.959 -5.416 1.00 18.32 C +ATOM 1657 OH TYR A 214 14.374 5.743 -5.471 1.00 18.54 O +ATOM 1658 N ALA A 215 7.917 11.966 -4.477 1.00 9.58 N +ATOM 1659 CA ALA A 215 7.156 13.174 -4.194 1.00 10.57 C +ATOM 1660 C ALA A 215 6.550 13.196 -2.793 1.00 10.31 C +ATOM 1661 O ALA A 215 5.907 14.199 -2.418 1.00 13.67 O +ATOM 1662 CB ALA A 215 6.030 13.374 -5.245 1.00 11.53 C +ATOM 1663 N ARG A 216 6.745 12.156 -2.002 1.00 8.99 N +ATOM 1664 CA ARG A 216 6.268 12.103 -0.641 1.00 9.02 C +ATOM 1665 C ARG A 216 7.466 12.203 0.304 1.00 7.91 C +ATOM 1666 O ARG A 216 8.404 11.396 0.218 1.00 8.00 O +ATOM 1667 CB ARG A 216 5.531 10.783 -0.372 1.00 9.08 C +ATOM 1668 CG ARG A 216 4.079 10.773 -0.986 1.00 10.66 C +ATOM 1669 CD ARG A 216 3.147 11.750 -0.323 1.00 11.44 C +ATOM 1670 NE ARG A 216 2.844 11.308 1.028 1.00 10.50 N +ATOM 1671 CZ ARG A 216 1.853 10.503 1.332 1.00 11.15 C +ATOM 1672 NH1 ARG A 216 1.038 10.042 0.393 1.00 12.66 N +ATOM 1673 NH2 ARG A 216 1.667 10.177 2.585 1.00 12.28 N +ATOM 1674 N GLU A 217 7.403 13.155 1.232 1.00 7.31 N +ATOM 1675 CA GLU A 217 8.521 13.303 2.154 1.00 8.52 C +ATOM 1676 C GLU A 217 8.792 12.120 3.066 1.00 8.28 C +ATOM 1677 O GLU A 217 9.923 11.875 3.454 1.00 8.26 O +ATOM 1678 CB GLU A 217 8.365 14.552 3.008 1.00 10.02 C +ATOM 1679 CG GLU A 217 8.585 15.816 2.186 1.00 15.37 C +ATOM 1680 CD GLU A 217 10.015 15.981 1.641 1.00 20.59 C +ATOM 1681 OE1 GLU A 217 10.414 15.356 0.621 1.00 25.10 O +ATOM 1682 OE2 GLU A 217 10.786 16.708 2.230 1.00 21.56 O +ATOM 1683 N GLU A 218 7.759 11.369 3.357 1.00 6.39 N +ATOM 1684 CA GLU A 218 7.902 10.202 4.206 1.00 6.87 C +ATOM 1685 C GLU A 218 8.936 9.239 3.637 1.00 7.48 C +ATOM 1686 O GLU A 218 9.641 8.546 4.375 1.00 7.62 O +ATOM 1687 CB GLU A 218 6.560 9.526 4.440 1.00 7.22 C +ATOM 1688 CG GLU A 218 5.524 10.408 5.117 1.00 8.52 C +ATOM 1689 CD GLU A 218 4.595 11.115 4.136 1.00 9.14 C +ATOM 1690 OE1 GLU A 218 5.018 11.420 2.996 1.00 8.88 O +ATOM 1691 OE2 GLU A 218 3.420 11.372 4.539 1.00 11.12 O +ATOM 1692 N PHE A 219 8.965 9.130 2.304 1.00 6.87 N +ATOM 1693 CA PHE A 219 9.971 8.310 1.592 1.00 6.93 C +ATOM 1694 C PHE A 219 11.245 9.113 1.335 1.00 8.34 C +ATOM 1695 O PHE A 219 12.343 8.712 1.717 1.00 7.35 O +ATOM 1696 CB PHE A 219 9.417 7.744 0.296 1.00 7.95 C +ATOM 1697 CG PHE A 219 10.430 7.047 -0.529 1.00 8.31 C +ATOM 1698 CD1 PHE A 219 11.164 5.975 -0.062 1.00 8.57 C +ATOM 1699 CD2 PHE A 219 10.650 7.469 -1.784 1.00 12.35 C +ATOM 1700 CE1 PHE A 219 12.100 5.354 -0.868 1.00 9.32 C +ATOM 1701 CE2 PHE A 219 11.569 6.826 -2.605 1.00 14.44 C +ATOM 1702 CZ PHE A 219 12.276 5.776 -2.143 1.00 11.85 C +ATOM 1703 N ALA A 220 11.103 10.246 0.649 1.00 8.10 N +ATOM 1704 CA ALA A 220 12.307 10.947 0.173 1.00 9.20 C +ATOM 1705 C ALA A 220 13.199 11.369 1.324 1.00 8.05 C +ATOM 1706 O ALA A 220 14.428 11.241 1.232 1.00 9.78 O +ATOM 1707 CB ALA A 220 11.923 12.168 -0.710 1.00 10.45 C +ATOM 1708 N SER A 221 12.587 11.872 2.410 1.00 7.46 N +ATOM 1709 CA SER A 221 13.313 12.444 3.540 1.00 7.51 C +ATOM 1710 C SER A 221 13.907 11.386 4.422 1.00 8.23 C +ATOM 1711 O SER A 221 14.797 11.716 5.227 1.00 10.48 O +ATOM 1712 CB SER A 221 12.414 13.335 4.368 1.00 9.25 C +ATOM 1713 OG SER A 221 13.115 14.215 5.170 1.00 15.46 O +ATOM 1714 N THR A 222 13.475 10.137 4.307 1.00 6.79 N +ATOM 1715 CA THR A 222 14.031 9.039 5.104 1.00 6.64 C +ATOM 1716 C THR A 222 15.073 8.200 4.357 1.00 7.69 C +ATOM 1717 O THR A 222 15.573 7.197 4.898 1.00 8.13 O +ATOM 1718 CB THR A 222 12.940 8.140 5.682 1.00 7.03 C +ATOM 1719 OG1 THR A 222 12.218 7.496 4.612 1.00 7.40 O +ATOM 1720 CG2 THR A 222 11.962 8.939 6.540 1.00 6.71 C +ATOM 1721 N CYS A 223 15.388 8.582 3.120 1.00 8.02 N +ATOM 1722 CA CYS A 223 16.449 7.918 2.374 1.00 8.53 C +ATOM 1723 C CYS A 223 17.811 8.406 2.827 1.00 8.74 C +ATOM 1724 O CYS A 223 17.993 9.605 2.872 1.00 10.26 O +ATOM 1725 CB CYS A 223 16.349 8.227 0.860 1.00 9.92 C +ATOM 1726 SG CYS A 223 14.991 7.489 -0.062 1.00 9.86 S +ATOM 1727 N PRO A 224 18.755 7.553 3.136 1.00 8.12 N +ATOM 1728 CA PRO A 224 20.139 8.027 3.266 1.00 8.32 C +ATOM 1729 C PRO A 224 20.637 8.606 1.956 1.00 8.67 C +ATOM 1730 O PRO A 224 20.116 8.230 0.920 1.00 9.03 O +ATOM 1731 CB PRO A 224 20.928 6.762 3.625 1.00 9.47 C +ATOM 1732 CG PRO A 224 19.921 5.802 4.011 1.00 11.52 C +ATOM 1733 CD PRO A 224 18.639 6.101 3.308 1.00 9.46 C +ATOM 1734 N ASP A 225 21.605 9.516 2.007 1.00 8.50 N +ATOM 1735 CA ASP A 225 22.139 10.131 0.781 1.00 9.07 C +ATOM 1736 C ASP A 225 22.833 9.061 -0.078 1.00 9.47 C +ATOM 1737 O ASP A 225 23.233 7.997 0.416 1.00 7.89 O +ATOM 1738 CB ASP A 225 23.003 11.351 1.098 1.00 9.79 C +ATOM 1739 CG ASP A 225 24.241 11.004 1.848 1.00 12.03 C +ATOM 1740 OD1 ASP A 225 25.112 10.355 1.332 1.00 13.20 O +ATOM 1741 OD2 ASP A 225 24.532 11.477 2.973 1.00 17.92 O +ATOM 1742 N ASP A 226 22.939 9.363 -1.361 1.00 8.76 N +ATOM 1743 CA ASP A 226 23.461 8.387 -2.312 1.00 9.22 C +ATOM 1744 C ASP A 226 24.876 7.928 -1.910 1.00 9.43 C +ATOM 1745 O ASP A 226 25.185 6.714 -2.008 1.00 9.76 O +ATOM 1746 CB ASP A 226 23.530 8.968 -3.717 1.00 10.21 C +ATOM 1747 CG ASP A 226 22.221 9.071 -4.423 1.00 12.05 C +ATOM 1748 OD1 ASP A 226 21.118 8.797 -3.860 1.00 11.89 O +ATOM 1749 OD2 ASP A 226 22.254 9.434 -5.641 1.00 13.59 O +ATOM 1750 N GLU A 227 25.741 8.856 -1.473 1.00 9.96 N +ATOM 1751 CA GLU A 227 27.096 8.472 -1.169 1.00 11.22 C +ATOM 1752 C GLU A 227 27.166 7.472 -0.007 1.00 9.61 C +ATOM 1753 O GLU A 227 27.980 6.538 0.011 1.00 10.63 O +ATOM 1754 CB GLU A 227 27.935 9.732 -0.957 1.00 14.14 C +ATOM 1755 CG GLU A 227 28.233 10.471 -2.273 1.00 19.81 C +ATOM 1756 CD GLU A 227 29.563 11.210 -2.279 1.00 27.79 C +ATOM 1757 OE1 GLU A 227 30.147 11.501 -1.194 1.00 32.06 O +ATOM 1758 OE2 GLU A 227 30.038 11.486 -3.403 1.00 33.13 O +ATOM 1759 N GLU A 228 26.301 7.632 0.980 1.00 9.43 N +ATOM 1760 CA GLU A 228 26.280 6.738 2.107 1.00 9.29 C +ATOM 1761 C GLU A 228 25.846 5.310 1.670 1.00 10.36 C +ATOM 1762 O GLU A 228 26.382 4.305 2.101 1.00 8.98 O +ATOM 1763 CB GLU A 228 25.360 7.330 3.180 1.00 10.37 C +ATOM 1764 CG GLU A 228 25.431 6.515 4.406 1.00 11.37 C +ATOM 1765 CD GLU A 228 26.752 6.672 5.143 1.00 14.04 C +ATOM 1766 OE1 GLU A 228 27.533 7.656 4.926 1.00 13.24 O +ATOM 1767 OE2 GLU A 228 27.020 5.781 5.940 1.00 14.43 O +ATOM 1768 N ILE A 229 24.840 5.231 0.817 1.00 8.06 N +ATOM 1769 CA ILE A 229 24.386 3.923 0.308 1.00 8.68 C +ATOM 1770 C ILE A 229 25.504 3.274 -0.474 1.00 8.83 C +ATOM 1771 O ILE A 229 25.811 2.105 -0.307 1.00 8.84 O +ATOM 1772 CB ILE A 229 23.131 4.098 -0.574 1.00 8.39 C +ATOM 1773 CG1 ILE A 229 21.996 4.641 0.288 1.00 9.52 C +ATOM 1774 CG2 ILE A 229 22.776 2.775 -1.270 1.00 9.88 C +ATOM 1775 CD1 ILE A 229 20.744 4.997 -0.499 1.00 12.14 C +ATOM 1776 N GLU A 230 26.129 4.042 -1.364 1.00 8.47 N +ATOM 1777 CA GLU A 230 27.241 3.505 -2.158 1.00 8.77 C +ATOM 1778 C GLU A 230 28.397 3.012 -1.291 1.00 10.34 C +ATOM 1779 O GLU A 230 28.956 1.928 -1.528 1.00 10.07 O +ATOM 1780 CB GLU A 230 27.702 4.594 -3.120 1.00 9.70 C +ATOM 1781 CG GLU A 230 26.697 4.928 -4.205 1.00 10.01 C +ATOM 1782 CD GLU A 230 26.985 6.216 -4.968 1.00 8.55 C +ATOM 1783 OE1 GLU A 230 27.998 6.850 -4.683 1.00 13.89 O +ATOM 1784 OE2 GLU A 230 26.164 6.624 -5.822 1.00 11.99 O +ATOM 1785 N LEU A 231 28.748 3.774 -0.270 1.00 9.29 N +ATOM 1786 CA LEU A 231 29.833 3.449 0.629 1.00 9.80 C +ATOM 1787 C LEU A 231 29.519 2.133 1.349 1.00 9.28 C +ATOM 1788 O LEU A 231 30.390 1.282 1.506 1.00 10.39 O +ATOM 1789 CB LEU A 231 30.069 4.626 1.613 1.00 11.22 C +ATOM 1790 CG LEU A 231 31.215 4.494 2.579 1.00 12.22 C +ATOM 1791 CD1 LEU A 231 32.555 4.301 1.895 1.00 11.73 C +ATOM 1792 CD2 LEU A 231 31.264 5.762 3.411 1.00 13.69 C +ATOM 1793 N ALA A 232 28.280 1.924 1.751 1.00 9.93 N +ATOM 1794 CA ALA A 232 27.885 0.692 2.430 1.00 11.10 C +ATOM 1795 C ALA A 232 28.022 -0.540 1.531 1.00 11.77 C +ATOM 1796 O ALA A 232 28.020 -1.680 2.045 1.00 13.45 O +ATOM 1797 CB ALA A 232 26.448 0.806 2.910 1.00 11.78 C +ATOM 1798 N TYR A 233 28.099 -0.332 0.209 1.00 10.11 N +ATOM 1799 CA TYR A 233 28.277 -1.407 -0.755 1.00 9.35 C +ATOM 1800 C TYR A 233 29.710 -1.615 -1.254 1.00 9.59 C +ATOM 1801 O TYR A 233 29.972 -2.501 -2.044 1.00 9.09 O +ATOM 1802 CB TYR A 233 27.285 -1.248 -1.905 1.00 9.80 C +ATOM 1803 CG TYR A 233 25.939 -1.903 -1.545 1.00 8.24 C +ATOM 1804 CD1 TYR A 233 25.628 -3.198 -1.986 1.00 10.23 C +ATOM 1805 CD2 TYR A 233 25.013 -1.268 -0.715 1.00 8.41 C +ATOM 1806 CE1 TYR A 233 24.446 -3.817 -1.627 1.00 9.09 C +ATOM 1807 CE2 TYR A 233 23.859 -1.881 -0.312 1.00 9.26 C +ATOM 1808 CZ TYR A 233 23.575 -3.163 -0.771 1.00 8.11 C +ATOM 1809 OH TYR A 233 22.459 -3.825 -0.389 1.00 10.11 O +ATOM 1810 N GLU A 234 30.671 -0.856 -0.727 1.00 10.03 N +ATOM 1811 CA GLU A 234 32.052 -1.015 -1.186 1.00 10.90 C +ATOM 1812 C GLU A 234 32.646 -2.377 -0.851 1.00 10.47 C +ATOM 1813 O GLU A 234 33.569 -2.787 -1.536 1.00 11.46 O +ATOM 1814 CB GLU A 234 32.959 0.096 -0.619 1.00 10.16 C +ATOM 1815 CG GLU A 234 32.707 1.487 -1.158 1.00 12.45 C +ATOM 1816 CD GLU A 234 33.128 1.764 -2.599 1.00 14.09 C +ATOM 1817 OE1 GLU A 234 33.756 0.893 -3.245 1.00 16.44 O +ATOM 1818 OE2 GLU A 234 32.740 2.893 -3.104 1.00 14.90 O +ATOM 1819 N GLN A 235 32.168 -3.087 0.181 1.00 10.97 N +ATOM 1820 CA GLN A 235 32.600 -4.434 0.507 1.00 12.31 C +ATOM 1821 C GLN A 235 31.526 -5.465 0.242 1.00 12.38 C +ATOM 1822 O GLN A 235 31.556 -6.583 0.768 1.00 13.36 O +ATOM 1823 CB GLN A 235 33.034 -4.578 1.947 1.00 14.94 C +ATOM 1824 CG GLN A 235 34.252 -3.799 2.296 1.00 16.85 C +ATOM 1825 CD GLN A 235 34.655 -4.022 3.743 1.00 16.89 C +ATOM 1826 OE1 GLN A 235 35.361 -4.975 4.029 1.00 23.46 O +ATOM 1827 NE2 GLN A 235 34.157 -3.174 4.660 1.00 19.03 N +ATOM 1828 N VAL A 236 30.587 -5.092 -0.622 1.00 9.73 N +ATOM 1829 CA VAL A 236 29.509 -5.990 -1.011 1.00 9.48 C +ATOM 1830 C VAL A 236 29.518 -6.140 -2.557 1.00 9.34 C +ATOM 1831 O VAL A 236 29.572 -7.240 -3.091 1.00 9.40 O +ATOM 1832 CB VAL A 236 28.129 -5.515 -0.508 1.00 8.50 C +ATOM 1833 CG1 VAL A 236 27.058 -6.487 -0.936 1.00 8.52 C +ATOM 1834 CG2 VAL A 236 28.111 -5.405 0.990 1.00 10.27 C +ATOM 1835 N ALA A 237 29.381 -5.023 -3.270 1.00 9.18 N +ATOM 1836 CA ALA A 237 29.460 -4.991 -4.734 1.00 7.85 C +ATOM 1837 C ALA A 237 30.828 -5.416 -5.169 1.00 8.69 C +ATOM 1838 O ALA A 237 31.846 -5.038 -4.568 1.00 10.59 O +ATOM 1839 CB ALA A 237 29.167 -3.581 -5.259 1.00 9.02 C +ATOM 1840 N LYS A 238 30.866 -6.160 -6.259 1.00 7.49 N +ATOM 1841 CA LYS A 238 32.128 -6.609 -6.833 1.00 8.12 C +ATOM 1842 C LYS A 238 32.276 -6.070 -8.222 1.00 6.70 C +ATOM 1843 O LYS A 238 31.303 -5.979 -8.989 1.00 6.96 O +ATOM 1844 CB LYS A 238 32.186 -8.139 -6.883 1.00 8.96 C +ATOM 1845 CG LYS A 238 31.977 -8.798 -5.525 1.00 12.20 C +ATOM 1846 CD LYS A 238 33.180 -8.630 -4.716 1.00 13.59 C +ATOM 1847 CE LYS A 238 34.325 -9.546 -5.199 1.00 12.99 C +ATOM 1848 NZ LYS A 238 35.426 -9.496 -4.181 1.00 12.02 N +ATOM 1849 N ALA A 239 33.499 -5.726 -8.599 1.00 7.18 N +ATOM 1850 CA ALA A 239 33.799 -5.312 -9.952 1.00 6.90 C +ATOM 1851 C ALA A 239 33.848 -6.555 -10.863 1.00 7.66 C +ATOM 1852 O ALA A 239 34.286 -7.643 -10.467 1.00 9.01 O +ATOM 1853 CB ALA A 239 35.119 -4.550 -10.006 1.00 8.86 C +ATOM 1854 N LEU A 240 33.425 -6.390 -12.106 1.00 6.64 N +ATOM 1855 CA LEU A 240 33.473 -7.476 -13.097 1.00 8.04 C +ATOM 1856 C LEU A 240 34.873 -7.661 -13.671 1.00 9.57 C +ATOM 1857 O LEU A 240 35.374 -6.703 -14.273 1.00 12.61 O +ATOM 1858 CB LEU A 240 32.473 -7.203 -14.214 1.00 7.34 C +ATOM 1859 CG LEU A 240 31.023 -7.152 -13.783 1.00 7.12 C +ATOM 1860 CD1 LEU A 240 30.106 -6.901 -14.990 1.00 8.21 C +ATOM 1861 CD2 LEU A 240 30.531 -8.373 -13.035 1.00 7.24 C +TER 1862 LEU A 240 +END diff --git a/bench/main_benchmark/structures/SFB_FS_CLIC1_1K0MA_1K0NA/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_CLIC1_1K0MA_1K0NA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..bc40c974507a5119ecdb7ac8d737194a56763f72 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_CLIC1_1K0MA_1K0NA/state_b.pdb @@ -0,0 +1,1780 @@ +ATOM 1 N PRO A 6 16.175 8.927 18.778 1.00 20.02 N +ATOM 2 CA PRO A 6 15.228 7.828 18.365 1.00 19.73 C +ATOM 3 C PRO A 6 14.000 7.881 19.250 1.00 19.31 C +ATOM 4 O PRO A 6 14.113 7.696 20.453 1.00 19.96 O +ATOM 5 CB PRO A 6 16.034 6.544 18.572 1.00 19.84 C +ATOM 6 CG PRO A 6 17.248 6.926 19.382 1.00 20.37 C +ATOM 7 CD PRO A 6 17.320 8.422 19.553 1.00 19.60 C +ATOM 8 N GLN A 7 12.841 8.137 18.659 1.00 18.18 N +ATOM 9 CA GLN A 7 11.625 8.405 19.430 1.00 17.53 C +ATOM 10 C GLN A 7 11.125 7.287 20.342 1.00 16.69 C +ATOM 11 O GLN A 7 10.931 6.151 19.897 1.00 16.27 O +ATOM 12 CB GLN A 7 10.523 8.913 18.501 1.00 17.64 C +ATOM 13 CG GLN A 7 10.941 10.228 17.834 1.00 19.26 C +ATOM 14 CD GLN A 7 9.973 10.720 16.772 1.00 21.52 C +ATOM 15 OE1 GLN A 7 9.422 11.814 16.895 1.00 24.29 O +ATOM 16 NE2 GLN A 7 9.785 9.933 15.723 1.00 21.22 N +ATOM 17 N VAL A 8 10.910 7.629 21.617 1.00 15.41 N +ATOM 18 CA VAL A 8 10.450 6.660 22.621 1.00 14.78 C +ATOM 19 C VAL A 8 9.029 6.978 23.080 1.00 15.08 C +ATOM 20 O VAL A 8 8.740 8.104 23.525 1.00 14.20 O +ATOM 21 CB VAL A 8 11.370 6.649 23.864 1.00 15.17 C +ATOM 22 CG1 VAL A 8 10.941 5.579 24.871 1.00 13.28 C +ATOM 23 CG2 VAL A 8 12.808 6.449 23.461 1.00 15.32 C +ATOM 24 N GLU A 9 8.136 5.998 22.967 1.00 14.38 N +ATOM 25 CA GLU A 9 6.758 6.200 23.396 1.00 14.65 C +ATOM 26 C GLU A 9 6.242 5.027 24.222 1.00 14.15 C +ATOM 27 O GLU A 9 6.169 3.905 23.732 1.00 13.42 O +ATOM 28 CB GLU A 9 5.846 6.442 22.197 1.00 14.74 C +ATOM 29 CG GLU A 9 4.422 6.795 22.592 1.00 17.46 C +ATOM 30 CD GLU A 9 3.758 7.760 21.630 1.00 21.84 C +ATOM 31 OE1 GLU A 9 4.454 8.672 21.112 1.00 26.27 O +ATOM 32 OE2 GLU A 9 2.535 7.620 21.397 1.00 19.53 O +ATOM 33 N LEU A 10 5.869 5.298 25.470 1.00 13.90 N +ATOM 34 CA LEU A 10 5.346 4.250 26.353 1.00 14.33 C +ATOM 35 C LEU A 10 3.816 4.281 26.367 1.00 14.08 C +ATOM 36 O LEU A 10 3.207 5.368 26.440 1.00 14.07 O +ATOM 37 CB LEU A 10 5.890 4.435 27.780 1.00 14.12 C +ATOM 38 CG LEU A 10 5.434 3.447 28.856 1.00 15.69 C +ATOM 39 CD1 LEU A 10 6.022 2.083 28.618 1.00 15.05 C +ATOM 40 CD2 LEU A 10 5.817 3.906 30.275 1.00 17.82 C +ATOM 41 N PHE A 11 3.186 3.103 26.289 1.00 13.83 N +ATOM 42 CA PHE A 11 1.713 2.991 26.272 1.00 13.59 C +ATOM 43 C PHE A 11 1.240 2.310 27.570 1.00 13.94 C +ATOM 44 O PHE A 11 1.655 1.188 27.900 1.00 13.29 O +ATOM 45 CB PHE A 11 1.205 2.212 25.045 1.00 13.76 C +ATOM 46 CG PHE A 11 1.350 2.946 23.744 1.00 12.96 C +ATOM 47 CD1 PHE A 11 0.238 3.478 23.098 1.00 11.92 C +ATOM 48 CD2 PHE A 11 2.593 3.086 23.150 1.00 11.92 C +ATOM 49 CE1 PHE A 11 0.376 4.154 21.902 1.00 12.59 C +ATOM 50 CE2 PHE A 11 2.743 3.764 21.977 1.00 11.53 C +ATOM 51 CZ PHE A 11 1.626 4.297 21.331 1.00 13.00 C +ATOM 52 N VAL A 12 0.403 2.995 28.331 1.00 14.66 N +ATOM 53 CA VAL A 12 0.008 2.483 29.638 1.00 15.83 C +ATOM 54 C VAL A 12 -1.506 2.416 29.819 1.00 16.71 C +ATOM 55 O VAL A 12 -2.260 3.001 29.059 1.00 15.68 O +ATOM 56 CB VAL A 12 0.556 3.384 30.736 1.00 16.15 C +ATOM 57 CG1 VAL A 12 2.082 3.414 30.688 1.00 17.28 C +ATOM 58 CG2 VAL A 12 -0.006 4.780 30.594 1.00 16.04 C +ATOM 59 N LYS A 13 -1.945 1.732 30.868 1.00 16.81 N +ATOM 60 CA LYS A 13 -3.371 1.638 31.136 1.00 16.69 C +ATOM 61 C LYS A 13 -3.972 2.921 31.707 1.00 15.67 C +ATOM 62 O LYS A 13 -3.422 3.510 32.660 1.00 14.84 O +ATOM 63 CB LYS A 13 -3.613 0.504 32.118 1.00 17.66 C +ATOM 64 CG LYS A 13 -5.032 0.036 32.182 1.00 19.62 C +ATOM 65 CD LYS A 13 -5.190 -0.940 33.313 1.00 25.11 C +ATOM 66 CE LYS A 13 -6.629 -1.372 33.464 1.00 28.13 C +ATOM 67 NZ LYS A 13 -6.674 -2.473 34.465 1.00 32.28 N +ATOM 68 N ALA A 14 -5.127 3.315 31.142 1.00 15.28 N +ATOM 69 CA ALA A 14 -5.887 4.473 31.611 1.00 14.77 C +ATOM 70 C ALA A 14 -6.671 4.161 32.893 1.00 14.32 C +ATOM 71 O ALA A 14 -7.107 3.043 33.108 1.00 14.18 O +ATOM 72 CB ALA A 14 -6.826 4.972 30.521 1.00 14.60 C +ATOM 73 N GLY A 15 -6.848 5.158 33.745 1.00 13.89 N +ATOM 74 CA GLY A 15 -7.528 4.941 35.003 1.00 14.31 C +ATOM 75 C GLY A 15 -9.029 5.057 34.851 1.00 14.22 C +ATOM 76 O GLY A 15 -9.579 4.797 33.777 1.00 14.12 O +ATOM 77 N SER A 16 -9.691 5.476 35.926 1.00 14.62 N +ATOM 78 CA SER A 16 -11.156 5.485 35.968 1.00 14.56 C +ATOM 79 C SER A 16 -11.908 6.329 34.944 1.00 15.31 C +ATOM 80 O SER A 16 -13.051 6.009 34.600 1.00 14.08 O +ATOM 81 CB SER A 16 -11.651 5.831 37.379 1.00 15.23 C +ATOM 82 OG SER A 16 -11.095 7.052 37.844 1.00 14.05 O +ATOM 83 N ASP A 17 -11.304 7.411 34.467 1.00 15.77 N +ATOM 84 CA ASP A 17 -12.011 8.298 33.549 1.00 16.34 C +ATOM 85 C ASP A 17 -11.616 8.062 32.103 1.00 16.64 C +ATOM 86 O ASP A 17 -11.907 8.888 31.245 1.00 17.03 O +ATOM 87 CB ASP A 17 -11.722 9.758 33.901 1.00 16.59 C +ATOM 88 CG ASP A 17 -10.307 10.180 33.528 1.00 18.82 C +ATOM 89 OD1 ASP A 17 -9.441 9.308 33.341 1.00 16.26 O +ATOM 90 OD2 ASP A 17 -9.976 11.369 33.384 1.00 22.13 O +ATOM 91 N GLY A 18 -10.936 6.952 31.835 1.00 16.72 N +ATOM 92 CA GLY A 18 -10.475 6.655 30.488 1.00 17.06 C +ATOM 93 C GLY A 18 -9.289 7.516 30.061 1.00 17.55 C +ATOM 94 O GLY A 18 -8.762 7.374 28.949 1.00 17.32 O +ATOM 95 N ALA A 19 -8.837 8.399 30.943 1.00 17.24 N +ATOM 96 CA ALA A 19 -7.778 9.315 30.532 1.00 17.77 C +ATOM 97 C ALA A 19 -6.560 9.355 31.410 1.00 17.46 C +ATOM 98 O ALA A 19 -5.444 9.333 30.915 1.00 17.71 O +ATOM 99 CB ALA A 19 -8.342 10.739 30.344 1.00 17.20 C +ATOM 100 N LYS A 20 -6.762 9.472 32.713 1.00 17.70 N +ATOM 101 CA LYS A 20 -5.631 9.542 33.621 1.00 17.56 C +ATOM 102 C LYS A 20 -4.792 8.283 33.540 1.00 17.39 C +ATOM 103 O LYS A 20 -5.217 7.249 33.022 1.00 17.32 O +ATOM 104 CB LYS A 20 -6.113 9.729 35.062 1.00 18.55 C +ATOM 105 CG LYS A 20 -6.837 8.524 35.635 1.00 18.55 C +ATOM 106 CD LYS A 20 -8.090 8.947 36.388 1.00 23.13 C +ATOM 107 CE LYS A 20 -7.743 9.688 37.666 1.00 24.68 C +ATOM 108 NZ LYS A 20 -8.913 9.745 38.603 1.00 23.84 N +ATOM 109 N ILE A 21 -3.587 8.374 34.045 1.00 16.85 N +ATOM 110 CA ILE A 21 -2.780 7.162 34.117 1.00 16.58 C +ATOM 111 C ILE A 21 -3.358 6.241 35.161 1.00 15.73 C +ATOM 112 O ILE A 21 -3.573 6.639 36.305 1.00 16.43 O +ATOM 113 CB ILE A 21 -1.357 7.501 34.394 1.00 17.56 C +ATOM 114 CG1 ILE A 21 -0.805 8.223 33.160 1.00 18.51 C +ATOM 115 CG2 ILE A 21 -0.600 6.213 34.704 1.00 16.83 C +ATOM 116 CD1 ILE A 21 0.682 8.454 33.164 1.00 21.80 C +ATOM 117 N GLY A 22 -3.613 5.003 34.764 1.00 15.30 N +ATOM 118 CA GLY A 22 -4.255 4.045 35.638 1.00 15.01 C +ATOM 119 C GLY A 22 -3.388 3.289 36.621 1.00 15.56 C +ATOM 120 O GLY A 22 -2.140 3.289 36.549 1.00 14.61 O +ATOM 121 N ASN A 23 -4.045 2.627 37.565 1.00 15.07 N +ATOM 122 CA ASN A 23 -3.286 1.821 38.497 1.00 16.09 C +ATOM 123 C ASN A 23 -2.640 0.653 37.752 1.00 15.22 C +ATOM 124 O ASN A 23 -3.340 -0.139 37.106 1.00 15.56 O +ATOM 125 CB ASN A 23 -4.181 1.226 39.561 1.00 17.18 C +ATOM 126 CG ASN A 23 -3.440 0.184 40.381 1.00 16.20 C +ATOM 127 OD1 ASN A 23 -3.640 -1.024 40.221 1.00 20.30 O +ATOM 128 ND2 ASN A 23 -2.580 0.654 41.248 1.00 13.58 N +ATOM 129 N CYS A 24 -1.321 0.507 37.846 1.00 14.56 N +ATOM 130 CA CYS A 24 -0.655 -0.608 37.176 1.00 14.86 C +ATOM 131 C CYS A 24 0.838 -0.561 37.516 1.00 14.70 C +ATOM 132 O CYS A 24 1.541 0.320 37.025 1.00 15.41 O +ATOM 133 CB CYS A 24 -0.836 -0.549 35.646 1.00 14.84 C +ATOM 134 SG CYS A 24 0.066 -1.857 34.724 1.00 20.13 S +ATOM 135 N PRO A 25 1.321 -1.497 38.322 1.00 14.14 N +ATOM 136 CA PRO A 25 2.723 -1.437 38.767 1.00 13.91 C +ATOM 137 C PRO A 25 3.702 -1.616 37.623 1.00 14.30 C +ATOM 138 O PRO A 25 4.831 -1.131 37.739 1.00 14.55 O +ATOM 139 CB PRO A 25 2.890 -2.637 39.705 1.00 14.56 C +ATOM 140 CG PRO A 25 1.597 -3.368 39.768 1.00 14.20 C +ATOM 141 CD PRO A 25 0.598 -2.659 38.877 1.00 14.39 C +ATOM 142 N PHE A 26 3.329 -2.359 36.587 1.00 14.32 N +ATOM 143 CA PHE A 26 4.225 -2.545 35.441 1.00 13.87 C +ATOM 144 C PHE A 26 4.456 -1.216 34.682 1.00 12.66 C +ATOM 145 O PHE A 26 5.579 -0.895 34.256 1.00 11.74 O +ATOM 146 CB PHE A 26 3.677 -3.609 34.468 1.00 15.26 C +ATOM 147 CG PHE A 26 3.354 -4.949 35.108 1.00 18.85 C +ATOM 148 CD1 PHE A 26 4.325 -5.927 35.225 1.00 21.53 C +ATOM 149 CD2 PHE A 26 2.047 -5.240 35.546 1.00 20.39 C +ATOM 150 CE1 PHE A 26 4.016 -7.172 35.781 1.00 23.75 C +ATOM 151 CE2 PHE A 26 1.729 -6.476 36.106 1.00 20.43 C +ATOM 152 CZ PHE A 26 2.711 -7.447 36.220 1.00 22.62 C +ATOM 153 N SER A 27 3.389 -0.454 34.459 1.00 10.98 N +ATOM 154 CA SER A 27 3.543 0.822 33.782 1.00 11.13 C +ATOM 155 C SER A 27 4.418 1.729 34.613 1.00 10.61 C +ATOM 156 O SER A 27 5.280 2.423 34.088 1.00 10.94 O +ATOM 157 CB SER A 27 2.172 1.529 33.659 1.00 10.70 C +ATOM 158 OG SER A 27 1.291 0.736 32.891 1.00 12.44 O +ATOM 159 N GLN A 28 4.160 1.759 35.912 1.00 10.55 N +ATOM 160 CA GLN A 28 4.878 2.698 36.750 1.00 10.25 C +ATOM 161 C GLN A 28 6.354 2.308 36.774 1.00 9.66 C +ATOM 162 O GLN A 28 7.215 3.161 36.732 1.00 9.25 O +ATOM 163 CB GLN A 28 4.374 2.744 38.174 1.00 11.34 C +ATOM 164 CG GLN A 28 5.057 3.898 38.935 1.00 9.94 C +ATOM 165 CD GLN A 28 4.554 4.101 40.368 1.00 12.70 C +ATOM 166 OE1 GLN A 28 3.639 3.412 40.804 1.00 15.46 O +ATOM 167 NE2 GLN A 28 5.150 5.048 41.088 1.00 8.37 N +ATOM 168 N ARG A 29 6.608 1.012 36.799 1.00 9.44 N +ATOM 169 CA ARG A 29 8.006 0.519 36.761 1.00 9.73 C +ATOM 170 C ARG A 29 8.758 1.098 35.539 1.00 10.45 C +ATOM 171 O ARG A 29 9.867 1.685 35.664 1.00 10.81 O +ATOM 172 CB ARG A 29 7.939 -1.005 36.757 1.00 8.92 C +ATOM 173 CG ARG A 29 9.230 -1.731 36.520 1.00 12.67 C +ATOM 174 CD ARG A 29 8.994 -3.212 36.563 1.00 14.58 C +ATOM 175 NE ARG A 29 10.146 -3.974 36.120 1.00 18.36 N +ATOM 176 CZ ARG A 29 10.090 -5.261 35.849 1.00 20.15 C +ATOM 177 NH1 ARG A 29 8.939 -5.895 36.001 1.00 16.64 N +ATOM 178 NH2 ARG A 29 11.181 -5.906 35.422 1.00 21.62 N +ATOM 179 N LEU A 30 8.154 0.967 34.359 1.00 9.96 N +ATOM 180 CA LEU A 30 8.771 1.462 33.129 1.00 10.79 C +ATOM 181 C LEU A 30 8.865 2.971 33.092 1.00 10.81 C +ATOM 182 O LEU A 30 9.825 3.543 32.558 1.00 12.03 O +ATOM 183 CB LEU A 30 8.064 0.932 31.886 1.00 10.95 C +ATOM 184 CG LEU A 30 8.057 -0.611 31.790 1.00 11.23 C +ATOM 185 CD1 LEU A 30 7.295 -0.989 30.561 1.00 11.30 C +ATOM 186 CD2 LEU A 30 9.474 -1.154 31.725 1.00 13.50 C +ATOM 187 N PHE A 31 7.848 3.668 33.607 1.00 10.87 N +ATOM 188 CA PHE A 31 7.936 5.099 33.684 1.00 10.96 C +ATOM 189 C PHE A 31 9.170 5.484 34.495 1.00 10.25 C +ATOM 190 O PHE A 31 9.901 6.403 34.117 1.00 10.62 O +ATOM 191 CB PHE A 31 6.692 5.657 34.412 1.00 12.20 C +ATOM 192 CG PHE A 31 6.198 6.965 33.877 1.00 17.68 C +ATOM 193 CD1 PHE A 31 4.895 7.089 33.444 1.00 22.35 C +ATOM 194 CD2 PHE A 31 7.003 8.085 33.861 1.00 20.47 C +ATOM 195 CE1 PHE A 31 4.400 8.309 32.954 1.00 23.46 C +ATOM 196 CE2 PHE A 31 6.532 9.319 33.389 1.00 22.73 C +ATOM 197 CZ PHE A 31 5.218 9.436 32.926 1.00 23.47 C +ATOM 198 N MET A 32 9.365 4.835 35.638 1.00 9.57 N +ATOM 199 CA MET A 32 10.496 5.142 36.491 1.00 10.62 C +ATOM 200 C MET A 32 11.846 4.888 35.802 1.00 11.51 C +ATOM 201 O MET A 32 12.751 5.711 35.898 1.00 12.31 O +ATOM 202 CB MET A 32 10.424 4.352 37.804 1.00 11.38 C +ATOM 203 CG MET A 32 9.317 4.890 38.709 1.00 11.69 C +ATOM 204 SD MET A 32 9.353 4.059 40.298 1.00 13.18 S +ATOM 205 CE MET A 32 10.842 4.654 41.087 1.00 13.32 C +ATOM 206 N VAL A 33 11.962 3.743 35.140 1.00 10.77 N +ATOM 207 CA VAL A 33 13.194 3.429 34.382 1.00 10.69 C +ATOM 208 C VAL A 33 13.464 4.534 33.343 1.00 10.96 C +ATOM 209 O VAL A 33 14.588 5.069 33.261 1.00 11.35 O +ATOM 210 CB VAL A 33 13.082 2.073 33.663 1.00 9.77 C +ATOM 211 CG1 VAL A 33 14.328 1.844 32.730 1.00 8.90 C +ATOM 212 CG2 VAL A 33 12.928 0.916 34.667 1.00 10.76 C +ATOM 213 N LEU A 34 12.456 4.890 32.542 1.00 11.16 N +ATOM 214 CA LEU A 34 12.671 5.917 31.498 1.00 10.72 C +ATOM 215 C LEU A 34 13.063 7.278 32.098 1.00 11.17 C +ATOM 216 O LEU A 34 13.915 7.958 31.587 1.00 11.53 O +ATOM 217 CB LEU A 34 11.460 6.066 30.573 1.00 10.03 C +ATOM 218 CG LEU A 34 11.192 4.827 29.721 1.00 11.01 C +ATOM 219 CD1 LEU A 34 9.784 4.838 29.175 1.00 10.65 C +ATOM 220 CD2 LEU A 34 12.194 4.814 28.560 1.00 10.19 C +ATOM 221 N TRP A 35 12.417 7.683 33.187 1.00 10.78 N +ATOM 222 CA TRP A 35 12.783 8.935 33.868 1.00 11.61 C +ATOM 223 C TRP A 35 14.222 8.898 34.407 1.00 12.04 C +ATOM 224 O TRP A 35 14.981 9.843 34.177 1.00 11.45 O +ATOM 225 CB TRP A 35 11.806 9.171 35.040 1.00 11.52 C +ATOM 226 CG TRP A 35 11.821 10.523 35.668 1.00 11.93 C +ATOM 227 CD1 TRP A 35 12.890 11.358 35.857 1.00 14.16 C +ATOM 228 CD2 TRP A 35 10.696 11.186 36.229 1.00 12.65 C +ATOM 229 NE1 TRP A 35 12.484 12.515 36.484 1.00 13.16 N +ATOM 230 CE2 TRP A 35 11.139 12.439 36.716 1.00 14.44 C +ATOM 231 CE3 TRP A 35 9.335 10.863 36.334 1.00 12.78 C +ATOM 232 CZ2 TRP A 35 10.292 13.342 37.330 1.00 14.27 C +ATOM 233 CZ3 TRP A 35 8.489 11.781 36.936 1.00 14.37 C +ATOM 234 CH2 TRP A 35 8.975 13.006 37.414 1.00 12.89 C +ATOM 235 N LEU A 36 14.604 7.806 35.083 1.00 12.62 N +ATOM 236 CA LEU A 36 15.944 7.662 35.658 1.00 12.21 C +ATOM 237 C LEU A 36 17.055 7.642 34.577 1.00 12.56 C +ATOM 238 O LEU A 36 18.186 8.089 34.833 1.00 11.99 O +ATOM 239 CB LEU A 36 16.025 6.411 36.556 1.00 11.46 C +ATOM 240 CG LEU A 36 15.187 6.548 37.859 1.00 14.12 C +ATOM 241 CD1 LEU A 36 15.063 5.224 38.578 1.00 15.52 C +ATOM 242 CD2 LEU A 36 15.770 7.622 38.786 1.00 12.41 C +ATOM 243 N LYS A 37 16.720 7.110 33.404 1.00 12.35 N +ATOM 244 CA LYS A 37 17.640 7.135 32.257 1.00 12.51 C +ATOM 245 C LYS A 37 17.881 8.553 31.745 1.00 12.70 C +ATOM 246 O LYS A 37 18.954 8.860 31.189 1.00 12.30 O +ATOM 247 CB LYS A 37 17.087 6.277 31.114 1.00 12.13 C +ATOM 248 CG LYS A 37 17.237 4.760 31.350 1.00 12.33 C +ATOM 249 CD LYS A 37 18.727 4.391 31.448 1.00 11.34 C +ATOM 250 CE LYS A 37 18.955 2.861 31.564 1.00 11.05 C +ATOM 251 NZ LYS A 37 20.406 2.341 31.552 1.00 8.47 N +ATOM 252 N GLY A 38 16.868 9.413 31.860 1.00 12.10 N +ATOM 253 CA GLY A 38 16.968 10.776 31.378 1.00 13.22 C +ATOM 254 C GLY A 38 16.716 10.935 29.875 1.00 13.32 C +ATOM 255 O GLY A 38 16.936 12.006 29.298 1.00 13.38 O +ATOM 256 N VAL A 39 16.212 9.880 29.254 1.00 12.00 N +ATOM 257 CA VAL A 39 15.896 9.893 27.838 1.00 11.69 C +ATOM 258 C VAL A 39 14.638 10.747 27.569 1.00 12.24 C +ATOM 259 O VAL A 39 13.797 10.875 28.441 1.00 11.96 O +ATOM 260 CB VAL A 39 15.693 8.443 27.333 1.00 11.96 C +ATOM 261 CG1 VAL A 39 14.445 7.817 27.946 1.00 10.25 C +ATOM 262 CG2 VAL A 39 15.636 8.344 25.797 1.00 11.41 C +ATOM 263 N THR A 40 14.545 11.346 26.385 1.00 11.46 N +ATOM 264 CA THR A 40 13.330 12.056 26.003 1.00 11.51 C +ATOM 265 C THR A 40 12.288 10.985 25.600 1.00 11.09 C +ATOM 266 O THR A 40 12.586 10.103 24.806 1.00 10.70 O +ATOM 267 CB THR A 40 13.637 13.012 24.848 1.00 11.59 C +ATOM 268 OG1 THR A 40 14.337 14.161 25.350 1.00 11.31 O +ATOM 269 CG2 THR A 40 12.348 13.639 24.292 1.00 12.41 C +ATOM 270 N PHE A 41 11.089 11.034 26.169 1.00 10.28 N +ATOM 271 CA PHE A 41 10.039 10.067 25.825 1.00 9.48 C +ATOM 272 C PHE A 41 8.657 10.675 26.018 1.00 10.41 C +ATOM 273 O PHE A 41 8.536 11.739 26.618 1.00 8.90 O +ATOM 274 CB PHE A 41 10.138 8.773 26.640 1.00 8.63 C +ATOM 275 CG PHE A 41 9.797 8.920 28.100 1.00 8.95 C +ATOM 276 CD1 PHE A 41 8.564 8.462 28.591 1.00 9.37 C +ATOM 277 CD2 PHE A 41 10.706 9.461 28.987 1.00 7.00 C +ATOM 278 CE1 PHE A 41 8.262 8.579 29.954 1.00 12.77 C +ATOM 279 CE2 PHE A 41 10.425 9.595 30.330 1.00 12.72 C +ATOM 280 CZ PHE A 41 9.189 9.136 30.825 1.00 12.11 C +ATOM 281 N ASN A 42 7.645 10.021 25.461 1.00 10.89 N +ATOM 282 CA ASN A 42 6.265 10.420 25.680 1.00 13.03 C +ATOM 283 C ASN A 42 5.463 9.255 26.238 1.00 13.20 C +ATOM 284 O ASN A 42 5.857 8.084 26.118 1.00 12.81 O +ATOM 285 CB ASN A 42 5.628 10.898 24.388 1.00 13.50 C +ATOM 286 CG ASN A 42 6.054 12.300 24.025 1.00 17.77 C +ATOM 287 OD1 ASN A 42 5.525 13.279 24.563 1.00 22.73 O +ATOM 288 ND2 ASN A 42 7.019 12.412 23.120 1.00 18.94 N +ATOM 289 N VAL A 43 4.334 9.575 26.856 1.00 13.19 N +ATOM 290 CA VAL A 43 3.452 8.546 27.360 1.00 14.07 C +ATOM 291 C VAL A 43 2.060 8.684 26.731 1.00 13.85 C +ATOM 292 O VAL A 43 1.626 9.776 26.437 1.00 13.90 O +ATOM 293 CB VAL A 43 3.318 8.620 28.859 1.00 14.09 C +ATOM 294 CG1 VAL A 43 2.426 7.481 29.362 1.00 16.41 C +ATOM 295 CG2 VAL A 43 4.673 8.534 29.526 1.00 16.59 C +ATOM 296 N THR A 44 1.369 7.565 26.551 1.00 13.74 N +ATOM 297 CA THR A 44 0.026 7.550 25.969 1.00 14.07 C +ATOM 298 C THR A 44 -0.821 6.581 26.798 1.00 14.03 C +ATOM 299 O THR A 44 -0.371 5.470 27.069 1.00 13.86 O +ATOM 300 CB THR A 44 0.108 7.052 24.528 1.00 13.82 C +ATOM 301 OG1 THR A 44 0.655 8.078 23.689 1.00 14.93 O +ATOM 302 CG2 THR A 44 -1.290 6.805 23.946 1.00 15.32 C +ATOM 303 N THR A 45 -2.015 7.005 27.223 1.00 13.69 N +ATOM 304 CA THR A 45 -2.881 6.148 28.028 1.00 13.12 C +ATOM 305 C THR A 45 -3.853 5.405 27.132 1.00 13.76 C +ATOM 306 O THR A 45 -4.140 5.844 26.026 1.00 12.93 O +ATOM 307 CB THR A 45 -3.643 6.924 29.137 1.00 13.08 C +ATOM 308 OG1 THR A 45 -4.486 7.936 28.557 1.00 12.72 O +ATOM 309 CG2 THR A 45 -2.666 7.683 30.048 1.00 13.76 C +ATOM 310 N VAL A 46 -4.341 4.269 27.621 1.00 14.62 N +ATOM 311 CA VAL A 46 -5.201 3.395 26.835 1.00 16.02 C +ATOM 312 C VAL A 46 -6.377 2.869 27.635 1.00 16.79 C +ATOM 313 O VAL A 46 -6.195 2.140 28.603 1.00 16.57 O +ATOM 314 CB VAL A 46 -4.418 2.164 26.326 1.00 15.90 C +ATOM 315 CG1 VAL A 46 -5.363 1.127 25.772 1.00 16.83 C +ATOM 316 CG2 VAL A 46 -3.403 2.581 25.270 1.00 15.95 C +ATOM 317 N ASP A 47 -7.581 3.222 27.202 1.00 17.54 N +ATOM 318 CA ASP A 47 -8.794 2.728 27.835 1.00 19.45 C +ATOM 319 C ASP A 47 -9.080 1.345 27.247 1.00 20.32 C +ATOM 320 O ASP A 47 -9.735 1.232 26.212 1.00 20.45 O +ATOM 321 CB ASP A 47 -9.951 3.698 27.575 1.00 19.11 C +ATOM 322 CG ASP A 47 -11.261 3.233 28.188 1.00 20.24 C +ATOM 323 OD1 ASP A 47 -11.405 2.018 28.439 1.00 21.38 O +ATOM 324 OD2 ASP A 47 -12.205 4.018 28.441 1.00 20.56 O +ATOM 325 N THR A 48 -8.593 0.306 27.928 1.00 22.12 N +ATOM 326 CA THR A 48 -8.652 -1.077 27.434 1.00 23.32 C +ATOM 327 C THR A 48 -9.931 -1.458 26.707 1.00 24.44 C +ATOM 328 O THR A 48 -9.922 -2.339 25.849 1.00 24.72 O +ATOM 329 CB THR A 48 -8.328 -2.097 28.552 1.00 23.45 C +ATOM 330 OG1 THR A 48 -9.098 -1.806 29.727 1.00 23.88 O +ATOM 331 CG2 THR A 48 -6.890 -1.922 29.023 1.00 23.03 C +ATOM 332 N LYS A 49 -11.030 -0.793 27.026 1.00 25.43 N +ATOM 333 CA LYS A 49 -12.268 -1.102 26.335 1.00 26.05 C +ATOM 334 C LYS A 49 -12.377 -0.283 25.052 1.00 26.03 C +ATOM 335 O LYS A 49 -12.545 -0.827 23.949 1.00 26.10 O +ATOM 336 CB LYS A 49 -13.470 -0.830 27.236 1.00 26.61 C +ATOM 337 CG LYS A 49 -13.311 -1.353 28.645 1.00 28.01 C +ATOM 338 CD LYS A 49 -14.663 -1.476 29.332 1.00 31.17 C +ATOM 339 CE LYS A 49 -14.514 -2.065 30.736 1.00 32.26 C +ATOM 340 NZ LYS A 49 -15.855 -2.379 31.321 1.00 33.45 N +ATOM 341 N ARG A 50 -12.282 1.032 25.210 1.00 25.42 N +ATOM 342 CA ARG A 50 -12.401 1.948 24.088 1.00 24.99 C +ATOM 343 C ARG A 50 -11.033 2.362 23.565 1.00 24.00 C +ATOM 344 O ARG A 50 -10.658 3.526 23.653 1.00 23.94 O +ATOM 345 CB ARG A 50 -13.211 3.184 24.498 1.00 25.18 C +ATOM 346 CG ARG A 50 -13.206 4.309 23.479 1.00 26.81 C +ATOM 347 CD ARG A 50 -13.871 3.948 22.161 1.00 29.18 C +ATOM 348 NE ARG A 50 -13.852 5.061 21.214 1.00 31.05 N +ATOM 349 CZ ARG A 50 -14.250 4.967 19.956 1.00 31.62 C +ATOM 350 NH1 ARG A 50 -14.701 3.809 19.491 1.00 32.98 N +ATOM 351 NH2 ARG A 50 -14.201 6.026 19.161 1.00 31.86 N +ATOM 352 N ARG A 51 -10.288 1.409 23.016 1.00 22.91 N +ATOM 353 CA ARG A 51 -8.974 1.716 22.464 1.00 21.98 C +ATOM 354 C ARG A 51 -9.111 2.446 21.147 1.00 21.17 C +ATOM 355 O ARG A 51 -10.124 2.319 20.476 1.00 21.66 O +ATOM 356 CB ARG A 51 -8.155 0.443 22.256 1.00 21.94 C +ATOM 357 CG ARG A 51 -7.826 -0.294 23.522 1.00 20.77 C +ATOM 358 CD ARG A 51 -6.797 -1.403 23.333 1.00 18.53 C +ATOM 359 NE ARG A 51 -7.172 -2.324 22.262 1.00 16.95 N +ATOM 360 CZ ARG A 51 -6.313 -3.112 21.629 1.00 16.28 C +ATOM 361 NH1 ARG A 51 -5.030 -3.077 21.955 1.00 15.30 N +ATOM 362 NH2 ARG A 51 -6.738 -3.935 20.671 1.00 14.14 N +ATOM 363 N THR A 52 -8.084 3.197 20.765 1.00 20.57 N +ATOM 364 CA THR A 52 -8.127 3.934 19.506 1.00 20.13 C +ATOM 365 C THR A 52 -7.727 3.058 18.334 1.00 20.16 C +ATOM 366 O THR A 52 -7.044 2.047 18.494 1.00 19.71 O +ATOM 367 CB THR A 52 -7.219 5.186 19.531 1.00 20.05 C +ATOM 368 OG1 THR A 52 -5.843 4.789 19.601 1.00 20.08 O +ATOM 369 CG2 THR A 52 -7.448 5.998 20.798 1.00 18.96 C +ATOM 370 N GLU A 53 -8.154 3.476 17.150 1.00 20.17 N +ATOM 371 CA GLU A 53 -7.863 2.764 15.921 1.00 20.39 C +ATOM 372 C GLU A 53 -6.374 2.479 15.778 1.00 20.45 C +ATOM 373 O GLU A 53 -5.972 1.353 15.488 1.00 20.83 O +ATOM 374 CB GLU A 53 -8.359 3.578 14.725 1.00 20.53 C +ATOM 375 CG GLU A 53 -8.328 2.810 13.422 1.00 20.94 C +ATOM 376 CD GLU A 53 -9.214 1.579 13.464 1.00 22.03 C +ATOM 377 OE1 GLU A 53 -10.409 1.693 13.097 1.00 21.50 O +ATOM 378 OE2 GLU A 53 -8.709 0.500 13.868 1.00 21.82 O +ATOM 379 N THR A 54 -5.563 3.503 16.009 1.00 20.20 N +ATOM 380 CA THR A 54 -4.116 3.403 15.875 1.00 19.93 C +ATOM 381 C THR A 54 -3.501 2.383 16.845 1.00 19.65 C +ATOM 382 O THR A 54 -2.623 1.600 16.471 1.00 19.37 O +ATOM 383 CB THR A 54 -3.491 4.799 16.070 1.00 19.98 C +ATOM 384 OG1 THR A 54 -3.908 5.658 15.001 1.00 19.67 O +ATOM 385 CG2 THR A 54 -1.980 4.747 15.923 1.00 20.39 C +ATOM 386 N VAL A 55 -3.963 2.397 18.091 1.00 19.36 N +ATOM 387 CA VAL A 55 -3.482 1.452 19.091 1.00 18.93 C +ATOM 388 C VAL A 55 -3.928 0.027 18.755 1.00 18.92 C +ATOM 389 O VAL A 55 -3.192 -0.935 18.980 1.00 18.88 O +ATOM 390 CB VAL A 55 -3.977 1.821 20.501 1.00 19.03 C +ATOM 391 CG1 VAL A 55 -3.677 0.703 21.480 1.00 18.18 C +ATOM 392 CG2 VAL A 55 -3.326 3.110 20.968 1.00 19.27 C +ATOM 393 N GLN A 56 -5.139 -0.104 18.224 1.00 18.58 N +ATOM 394 CA GLN A 56 -5.662 -1.412 17.850 1.00 18.71 C +ATOM 395 C GLN A 56 -4.767 -2.077 16.807 1.00 19.00 C +ATOM 396 O GLN A 56 -4.787 -3.300 16.649 1.00 19.03 O +ATOM 397 CB GLN A 56 -7.087 -1.285 17.307 1.00 18.76 C +ATOM 398 CG GLN A 56 -8.149 -1.066 18.381 1.00 18.31 C +ATOM 399 CD GLN A 56 -9.541 -0.896 17.786 1.00 17.33 C +ATOM 400 OE1 GLN A 56 -9.678 -0.501 16.633 1.00 15.90 O +ATOM 401 NE2 GLN A 56 -10.567 -1.178 18.577 1.00 17.19 N +ATOM 402 N LYS A 57 -3.979 -1.258 16.112 1.00 19.07 N +ATOM 403 CA LYS A 57 -3.091 -1.726 15.053 1.00 19.12 C +ATOM 404 C LYS A 57 -1.650 -1.965 15.489 1.00 19.24 C +ATOM 405 O LYS A 57 -1.020 -2.914 15.029 1.00 19.04 O +ATOM 406 CB LYS A 57 -3.105 -0.755 13.868 1.00 19.03 C +ATOM 407 CG LYS A 57 -4.374 -0.830 13.031 1.00 19.20 C +ATOM 408 CD LYS A 57 -4.295 0.038 11.787 1.00 19.33 C +ATOM 409 CE LYS A 57 -5.672 0.264 11.211 1.00 19.69 C +ATOM 410 NZ LYS A 57 -5.631 1.119 9.986 1.00 19.93 N +ATOM 411 N LEU A 58 -1.120 -1.101 16.355 1.00 19.49 N +ATOM 412 CA LEU A 58 0.265 -1.240 16.781 1.00 19.57 C +ATOM 413 C LEU A 58 0.393 -2.454 17.668 1.00 19.55 C +ATOM 414 O LEU A 58 1.437 -3.094 17.729 1.00 19.67 O +ATOM 415 CB LEU A 58 0.733 -0.013 17.568 1.00 19.75 C +ATOM 416 CG LEU A 58 0.739 1.382 16.941 1.00 20.49 C +ATOM 417 CD1 LEU A 58 0.993 2.425 18.042 1.00 20.80 C +ATOM 418 CD2 LEU A 58 1.786 1.490 15.851 1.00 21.09 C +ATOM 419 N CYS A 59 -0.686 -2.763 18.371 1.00 19.80 N +ATOM 420 CA CYS A 59 -0.671 -3.847 19.330 1.00 19.99 C +ATOM 421 C CYS A 59 -2.016 -4.562 19.311 1.00 19.91 C +ATOM 422 O CYS A 59 -2.877 -4.296 20.141 1.00 20.25 O +ATOM 423 CB CYS A 59 -0.358 -3.260 20.714 1.00 20.26 C +ATOM 424 SG CYS A 59 -0.365 -4.416 22.092 1.00 20.98 S +ATOM 425 N PRO A 60 -2.203 -5.448 18.330 1.00 19.90 N +ATOM 426 CA PRO A 60 -3.459 -6.197 18.149 1.00 19.71 C +ATOM 427 C PRO A 60 -3.814 -7.158 19.283 1.00 19.73 C +ATOM 428 O PRO A 60 -4.999 -7.435 19.489 1.00 19.53 O +ATOM 429 CB PRO A 60 -3.179 -7.017 16.888 1.00 19.88 C +ATOM 430 CG PRO A 60 -1.699 -7.132 16.870 1.00 19.89 C +ATOM 431 CD PRO A 60 -1.225 -5.761 17.271 1.00 19.91 C +ATOM 432 N GLY A 61 -2.802 -7.673 19.979 1.00 19.62 N +ATOM 433 CA GLY A 61 -3.001 -8.603 21.082 1.00 19.37 C +ATOM 434 C GLY A 61 -3.512 -7.942 22.353 1.00 19.41 C +ATOM 435 O GLY A 61 -3.954 -8.613 23.292 1.00 19.21 O +ATOM 436 N GLY A 62 -3.440 -6.616 22.392 1.00 19.06 N +ATOM 437 CA GLY A 62 -3.957 -5.872 23.524 1.00 19.41 C +ATOM 438 C GLY A 62 -3.064 -5.920 24.749 1.00 19.31 C +ATOM 439 O GLY A 62 -3.528 -5.669 25.863 1.00 19.65 O +ATOM 440 N GLU A 63 -1.793 -6.248 24.553 1.00 19.01 N +ATOM 441 CA GLU A 63 -0.855 -6.264 25.673 1.00 19.32 C +ATOM 442 C GLU A 63 -0.605 -4.830 26.132 1.00 18.41 C +ATOM 443 O GLU A 63 -0.561 -3.925 25.305 1.00 18.54 O +ATOM 444 CB GLU A 63 0.492 -6.897 25.286 1.00 19.53 C +ATOM 445 CG GLU A 63 0.405 -8.342 24.841 1.00 22.02 C +ATOM 446 CD GLU A 63 -0.336 -8.451 23.533 1.00 24.60 C +ATOM 447 OE1 GLU A 63 -0.124 -7.570 22.668 1.00 25.26 O +ATOM 448 OE2 GLU A 63 -1.142 -9.394 23.380 1.00 28.33 O +ATOM 449 N LEU A 64 -0.461 -4.645 27.443 1.00 17.77 N +ATOM 450 CA LEU A 64 -0.186 -3.342 28.072 1.00 17.23 C +ATOM 451 C LEU A 64 0.597 -3.617 29.366 1.00 16.26 C +ATOM 452 O LEU A 64 0.259 -4.556 30.097 1.00 16.01 O +ATOM 453 CB LEU A 64 -1.512 -2.663 28.421 1.00 18.52 C +ATOM 454 CG LEU A 64 -1.794 -1.201 28.068 1.00 18.55 C +ATOM 455 CD1 LEU A 64 -1.409 -0.886 26.649 1.00 19.30 C +ATOM 456 CD2 LEU A 64 -3.271 -0.918 28.305 1.00 19.22 C +ATOM 457 N PRO A 65 1.639 -2.832 29.667 1.00 15.32 N +ATOM 458 CA PRO A 65 2.088 -1.719 28.830 1.00 14.90 C +ATOM 459 C PRO A 65 2.806 -2.223 27.604 1.00 14.35 C +ATOM 460 O PRO A 65 3.085 -3.418 27.489 1.00 14.54 O +ATOM 461 CB PRO A 65 3.118 -1.001 29.723 1.00 14.37 C +ATOM 462 CG PRO A 65 3.611 -2.015 30.622 1.00 15.29 C +ATOM 463 CD PRO A 65 2.478 -2.997 30.863 1.00 15.46 C +ATOM 464 N PHE A 66 3.058 -1.319 26.675 1.00 14.19 N +ATOM 465 CA PHE A 66 3.891 -1.611 25.516 1.00 13.61 C +ATOM 466 C PHE A 66 4.696 -0.375 25.135 1.00 14.28 C +ATOM 467 O PHE A 66 4.334 0.755 25.515 1.00 13.75 O +ATOM 468 CB PHE A 66 3.124 -2.286 24.346 1.00 14.27 C +ATOM 469 CG PHE A 66 2.297 -1.354 23.484 1.00 14.19 C +ATOM 470 CD1 PHE A 66 2.876 -0.650 22.448 1.00 11.46 C +ATOM 471 CD2 PHE A 66 0.925 -1.243 23.671 1.00 14.45 C +ATOM 472 CE1 PHE A 66 2.106 0.174 21.622 1.00 14.37 C +ATOM 473 CE2 PHE A 66 0.161 -0.413 22.847 1.00 12.99 C +ATOM 474 CZ PHE A 66 0.766 0.294 21.831 1.00 11.84 C +ATOM 475 N LEU A 67 5.800 -0.584 24.418 1.00 13.84 N +ATOM 476 CA LEU A 67 6.709 0.507 24.085 1.00 15.23 C +ATOM 477 C LEU A 67 7.087 0.600 22.612 1.00 14.87 C +ATOM 478 O LEU A 67 7.507 -0.364 21.986 1.00 15.49 O +ATOM 479 CB LEU A 67 7.999 0.400 24.910 1.00 15.57 C +ATOM 480 CG LEU A 67 9.016 1.532 24.719 1.00 18.14 C +ATOM 481 CD1 LEU A 67 9.414 2.149 26.055 1.00 19.64 C +ATOM 482 CD2 LEU A 67 10.244 1.046 23.960 1.00 19.85 C +ATOM 483 N LEU A 68 6.961 1.794 22.074 1.00 14.20 N +ATOM 484 CA LEU A 68 7.351 2.025 20.712 1.00 13.93 C +ATOM 485 C LEU A 68 8.735 2.664 20.717 1.00 14.15 C +ATOM 486 O LEU A 68 8.955 3.681 21.383 1.00 15.01 O +ATOM 487 CB LEU A 68 6.341 2.955 20.074 1.00 13.41 C +ATOM 488 CG LEU A 68 6.464 3.139 18.583 1.00 14.21 C +ATOM 489 CD1 LEU A 68 6.189 1.811 17.890 1.00 12.52 C +ATOM 490 CD2 LEU A 68 5.488 4.205 18.118 1.00 13.81 C +ATOM 491 N TYR A 69 9.675 2.051 20.005 1.00 13.12 N +ATOM 492 CA TYR A 69 11.031 2.571 19.902 1.00 12.90 C +ATOM 493 C TYR A 69 11.238 2.808 18.414 1.00 13.37 C +ATOM 494 O TYR A 69 11.501 1.866 17.669 1.00 12.89 O +ATOM 495 CB TYR A 69 12.031 1.540 20.429 1.00 13.40 C +ATOM 496 CG TYR A 69 13.404 2.091 20.710 1.00 14.20 C +ATOM 497 CD1 TYR A 69 13.678 2.714 21.910 1.00 17.04 C +ATOM 498 CD2 TYR A 69 14.428 1.987 19.776 1.00 18.06 C +ATOM 499 CE1 TYR A 69 14.913 3.218 22.184 1.00 18.38 C +ATOM 500 CE2 TYR A 69 15.684 2.495 20.045 1.00 18.09 C +ATOM 501 CZ TYR A 69 15.912 3.109 21.250 1.00 19.33 C +ATOM 502 OH TYR A 69 17.140 3.629 21.550 1.00 22.01 O +ATOM 503 N GLY A 70 11.108 4.060 17.979 1.00 13.10 N +ATOM 504 CA GLY A 70 11.121 4.363 16.553 1.00 13.78 C +ATOM 505 C GLY A 70 9.799 3.801 16.070 1.00 14.21 C +ATOM 506 O GLY A 70 8.750 4.162 16.611 1.00 14.16 O +ATOM 507 N THR A 71 9.831 2.891 15.092 1.00 14.35 N +ATOM 508 CA THR A 71 8.605 2.227 14.665 1.00 14.53 C +ATOM 509 C THR A 71 8.481 0.779 15.174 1.00 14.67 C +ATOM 510 O THR A 71 7.587 0.044 14.747 1.00 14.82 O +ATOM 511 CB THR A 71 8.443 2.288 13.128 1.00 15.04 C +ATOM 512 OG1 THR A 71 9.430 1.467 12.486 1.00 15.84 O +ATOM 513 CG2 THR A 71 8.755 3.683 12.631 1.00 14.11 C +ATOM 514 N GLU A 72 9.357 0.378 16.092 1.00 14.74 N +ATOM 515 CA GLU A 72 9.355 -1.000 16.624 1.00 14.69 C +ATOM 516 C GLU A 72 8.621 -1.174 17.964 1.00 15.01 C +ATOM 517 O GLU A 72 8.967 -0.535 18.954 1.00 13.71 O +ATOM 518 CB GLU A 72 10.796 -1.526 16.730 1.00 15.23 C +ATOM 519 CG GLU A 72 11.540 -1.532 15.392 1.00 15.65 C +ATOM 520 CD GLU A 72 12.937 -2.138 15.459 1.00 16.69 C +ATOM 521 OE1 GLU A 72 13.802 -1.601 16.181 1.00 15.06 O +ATOM 522 OE2 GLU A 72 13.185 -3.145 14.755 1.00 17.51 O +ATOM 523 N VAL A 73 7.619 -2.049 17.989 1.00 14.22 N +ATOM 524 CA VAL A 73 6.841 -2.266 19.198 1.00 14.72 C +ATOM 525 C VAL A 73 7.472 -3.335 20.091 1.00 14.72 C +ATOM 526 O VAL A 73 7.864 -4.403 19.606 1.00 13.70 O +ATOM 527 CB VAL A 73 5.396 -2.678 18.867 1.00 14.92 C +ATOM 528 CG1 VAL A 73 4.699 -3.206 20.113 1.00 15.73 C +ATOM 529 CG2 VAL A 73 4.622 -1.515 18.280 1.00 14.74 C +ATOM 530 N HIS A 74 7.590 -3.030 21.385 1.00 14.62 N +ATOM 531 CA HIS A 74 8.109 -3.968 22.372 1.00 14.94 C +ATOM 532 C HIS A 74 7.034 -4.308 23.398 1.00 15.64 C +ATOM 533 O HIS A 74 6.323 -3.415 23.901 1.00 15.30 O +ATOM 534 CB HIS A 74 9.328 -3.394 23.102 1.00 15.41 C +ATOM 535 CG HIS A 74 10.531 -3.199 22.229 1.00 15.30 C +ATOM 536 ND1 HIS A 74 11.653 -3.996 22.321 1.00 14.84 N +ATOM 537 CD2 HIS A 74 10.794 -2.295 21.253 1.00 16.40 C +ATOM 538 CE1 HIS A 74 12.555 -3.593 21.445 1.00 15.07 C +ATOM 539 NE2 HIS A 74 12.058 -2.563 20.781 1.00 15.21 N +ATOM 540 N THR A 75 6.898 -5.598 23.696 1.00 15.02 N +ATOM 541 CA THR A 75 5.961 -6.054 24.714 1.00 15.41 C +ATOM 542 C THR A 75 6.625 -6.869 25.821 1.00 15.42 C +ATOM 543 O THR A 75 7.711 -7.408 25.645 1.00 15.43 O +ATOM 544 CB THR A 75 4.877 -6.930 24.118 1.00 15.52 C +ATOM 545 OG1 THR A 75 5.489 -7.950 23.315 1.00 15.96 O +ATOM 546 CG2 THR A 75 4.024 -6.134 23.144 1.00 16.52 C +ATOM 547 N ASP A 76 5.890 -7.002 26.923 1.00 15.37 N +ATOM 548 CA ASP A 76 6.326 -7.701 28.128 1.00 15.93 C +ATOM 549 C ASP A 76 7.238 -6.779 28.909 1.00 14.81 C +ATOM 550 O ASP A 76 8.308 -6.429 28.454 1.00 14.99 O +ATOM 551 CB ASP A 76 7.005 -9.043 27.830 1.00 16.59 C +ATOM 552 CG ASP A 76 7.388 -9.776 29.100 1.00 19.13 C +ATOM 553 OD1 ASP A 76 6.624 -10.667 29.531 1.00 22.93 O +ATOM 554 OD2 ASP A 76 8.420 -9.510 29.749 1.00 20.16 O +ATOM 555 N THR A 77 6.780 -6.369 30.077 1.00 16.09 N +ATOM 556 CA THR A 77 7.521 -5.406 30.894 1.00 16.25 C +ATOM 557 C THR A 77 8.977 -5.803 31.150 1.00 16.24 C +ATOM 558 O THR A 77 9.866 -4.981 31.030 1.00 16.23 O +ATOM 559 CB THR A 77 6.797 -5.200 32.209 1.00 16.71 C +ATOM 560 OG1 THR A 77 5.463 -4.742 31.933 1.00 17.16 O +ATOM 561 CG2 THR A 77 7.445 -4.074 32.990 1.00 16.85 C +ATOM 562 N ASN A 78 9.213 -7.058 31.535 1.00 16.70 N +ATOM 563 CA ASN A 78 10.576 -7.551 31.744 1.00 17.49 C +ATOM 564 C ASN A 78 11.456 -7.337 30.513 1.00 17.02 C +ATOM 565 O ASN A 78 12.588 -6.861 30.598 1.00 17.33 O +ATOM 566 CB ASN A 78 10.571 -9.063 32.042 1.00 18.51 C +ATOM 567 CG ASN A 78 10.096 -9.401 33.462 1.00 21.67 C +ATOM 568 OD1 ASN A 78 9.649 -10.528 33.716 1.00 25.83 O +ATOM 569 ND2 ASN A 78 10.235 -8.456 34.398 1.00 22.24 N +ATOM 570 N LYS A 79 10.944 -7.720 29.356 1.00 15.57 N +ATOM 571 CA LYS A 79 11.728 -7.584 28.132 1.00 15.38 C +ATOM 572 C LYS A 79 11.952 -6.122 27.766 1.00 13.90 C +ATOM 573 O LYS A 79 13.017 -5.757 27.311 1.00 13.51 O +ATOM 574 CB LYS A 79 11.077 -8.341 26.986 1.00 15.25 C +ATOM 575 CG LYS A 79 11.026 -9.848 27.196 1.00 17.79 C +ATOM 576 CD LYS A 79 10.391 -10.565 25.992 1.00 21.48 C +ATOM 577 CE LYS A 79 9.904 -11.974 26.386 1.00 24.13 C +ATOM 578 NZ LYS A 79 9.128 -12.651 25.297 1.00 27.41 N +ATOM 579 N ILE A 80 10.950 -5.280 27.993 1.00 13.97 N +ATOM 580 CA ILE A 80 11.115 -3.865 27.710 1.00 13.23 C +ATOM 581 C ILE A 80 12.208 -3.286 28.612 1.00 13.05 C +ATOM 582 O ILE A 80 13.088 -2.543 28.173 1.00 12.34 O +ATOM 583 CB ILE A 80 9.777 -3.137 27.935 1.00 13.23 C +ATOM 584 CG1 ILE A 80 8.754 -3.611 26.892 1.00 13.68 C +ATOM 585 CG2 ILE A 80 9.985 -1.637 27.913 1.00 13.41 C +ATOM 586 CD1 ILE A 80 7.324 -3.271 27.224 1.00 15.79 C +ATOM 587 N GLU A 81 12.156 -3.641 29.888 1.00 13.58 N +ATOM 588 CA GLU A 81 13.155 -3.103 30.805 1.00 14.10 C +ATOM 589 C GLU A 81 14.557 -3.531 30.428 1.00 13.55 C +ATOM 590 O GLU A 81 15.482 -2.725 30.423 1.00 12.61 O +ATOM 591 CB GLU A 81 12.846 -3.503 32.238 1.00 14.39 C +ATOM 592 CG GLU A 81 13.887 -3.046 33.235 1.00 16.25 C +ATOM 593 CD GLU A 81 13.438 -3.348 34.665 1.00 19.34 C +ATOM 594 OE1 GLU A 81 13.947 -4.306 35.292 1.00 19.71 O +ATOM 595 OE2 GLU A 81 12.566 -2.617 35.137 1.00 23.85 O +ATOM 596 N GLU A 82 14.713 -4.799 30.081 1.00 15.03 N +ATOM 597 CA GLU A 82 16.018 -5.309 29.671 1.00 15.15 C +ATOM 598 C GLU A 82 16.563 -4.565 28.456 1.00 14.99 C +ATOM 599 O GLU A 82 17.753 -4.228 28.394 1.00 14.69 O +ATOM 600 CB GLU A 82 15.906 -6.790 29.347 1.00 15.93 C +ATOM 601 CG GLU A 82 15.477 -7.619 30.548 1.00 20.38 C +ATOM 602 CD GLU A 82 15.811 -9.070 30.355 1.00 25.19 C +ATOM 603 OE1 GLU A 82 15.525 -9.578 29.244 1.00 25.99 O +ATOM 604 OE2 GLU A 82 16.387 -9.677 31.299 1.00 29.22 O +ATOM 605 N PHE A 83 15.678 -4.333 27.497 1.00 14.76 N +ATOM 606 CA PHE A 83 15.994 -3.591 26.290 1.00 15.08 C +ATOM 607 C PHE A 83 16.448 -2.181 26.643 1.00 14.53 C +ATOM 608 O PHE A 83 17.543 -1.765 26.273 1.00 13.74 O +ATOM 609 CB PHE A 83 14.768 -3.561 25.376 1.00 15.60 C +ATOM 610 CG PHE A 83 14.885 -2.612 24.224 1.00 17.18 C +ATOM 611 CD1 PHE A 83 15.717 -2.894 23.167 1.00 17.16 C +ATOM 612 CD2 PHE A 83 14.132 -1.442 24.188 1.00 17.36 C +ATOM 613 CE1 PHE A 83 15.819 -2.021 22.097 1.00 17.98 C +ATOM 614 CE2 PHE A 83 14.220 -0.579 23.107 1.00 17.76 C +ATOM 615 CZ PHE A 83 15.063 -0.873 22.066 1.00 18.40 C +ATOM 616 N LEU A 84 15.627 -1.454 27.398 1.00 13.85 N +ATOM 617 CA LEU A 84 16.003 -0.099 27.787 1.00 13.94 C +ATOM 618 C LEU A 84 17.355 -0.037 28.499 1.00 13.66 C +ATOM 619 O LEU A 84 18.145 0.856 28.242 1.00 12.41 O +ATOM 620 CB LEU A 84 14.914 0.549 28.653 1.00 14.08 C +ATOM 621 CG LEU A 84 13.540 0.730 27.991 1.00 13.44 C +ATOM 622 CD1 LEU A 84 12.527 1.289 28.975 1.00 15.09 C +ATOM 623 CD2 LEU A 84 13.664 1.679 26.777 1.00 13.42 C +ATOM 624 N GLU A 85 17.613 -0.949 29.430 1.00 13.51 N +ATOM 625 CA GLU A 85 18.901 -0.909 30.134 1.00 14.04 C +ATOM 626 C GLU A 85 20.052 -1.127 29.160 1.00 14.98 C +ATOM 627 O GLU A 85 21.081 -0.482 29.262 1.00 15.18 O +ATOM 628 CB GLU A 85 18.947 -1.945 31.258 1.00 15.04 C +ATOM 629 CG GLU A 85 20.316 -2.146 31.908 1.00 14.10 C +ATOM 630 CD GLU A 85 20.688 -1.084 32.932 1.00 17.13 C +ATOM 631 OE1 GLU A 85 20.033 0.001 33.030 1.00 16.29 O +ATOM 632 OE2 GLU A 85 21.639 -1.360 33.681 1.00 13.48 O +ATOM 633 N ALA A 86 19.841 -2.004 28.198 1.00 14.09 N +ATOM 634 CA ALA A 86 20.879 -2.315 27.214 1.00 15.80 C +ATOM 635 C ALA A 86 21.116 -1.192 26.211 1.00 16.58 C +ATOM 636 O ALA A 86 22.260 -0.903 25.848 1.00 17.33 O +ATOM 637 CB ALA A 86 20.527 -3.611 26.482 1.00 14.29 C +ATOM 638 N VAL A 87 20.053 -0.560 25.731 1.00 17.47 N +ATOM 639 CA VAL A 87 20.262 0.446 24.681 1.00 17.92 C +ATOM 640 C VAL A 87 20.424 1.871 25.167 1.00 18.14 C +ATOM 641 O VAL A 87 21.113 2.668 24.513 1.00 17.23 O +ATOM 642 CB VAL A 87 19.196 0.399 23.590 1.00 18.65 C +ATOM 643 CG1 VAL A 87 19.176 -0.984 22.949 1.00 19.16 C +ATOM 644 CG2 VAL A 87 17.829 0.808 24.128 1.00 18.83 C +ATOM 645 N LEU A 88 19.762 2.207 26.276 1.00 18.00 N +ATOM 646 CA LEU A 88 19.968 3.518 26.876 1.00 18.47 C +ATOM 647 C LEU A 88 21.114 3.328 27.869 1.00 20.05 C +ATOM 648 O LEU A 88 20.880 3.042 29.049 1.00 19.50 O +ATOM 649 CB LEU A 88 18.698 3.988 27.574 1.00 17.90 C +ATOM 650 CG LEU A 88 17.497 4.093 26.641 1.00 16.56 C +ATOM 651 CD1 LEU A 88 16.277 4.627 27.401 1.00 17.12 C +ATOM 652 CD2 LEU A 88 17.805 5.006 25.444 1.00 16.07 C +ATOM 653 N CYS A 89 22.350 3.439 27.371 1.00 20.62 N +ATOM 654 CA CYS A 89 23.542 3.138 28.177 1.00 21.76 C +ATOM 655 C CYS A 89 24.609 4.219 28.171 1.00 22.16 C +ATOM 656 O CYS A 89 24.557 5.163 27.391 1.00 21.83 O +ATOM 657 CB CYS A 89 24.148 1.778 27.772 1.00 22.06 C +ATOM 658 SG CYS A 89 24.406 1.591 25.990 1.00 22.36 S +ATOM 659 N PRO A 90 25.548 4.113 29.103 1.00 22.58 N +ATOM 660 CA PRO A 90 26.630 5.081 29.221 1.00 22.37 C +ATOM 661 C PRO A 90 27.355 5.222 27.869 1.00 22.51 C +ATOM 662 O PRO A 90 27.336 4.274 27.110 1.00 21.16 O +ATOM 663 CB PRO A 90 27.545 4.426 30.258 1.00 22.66 C +ATOM 664 CG PRO A 90 26.616 3.664 31.130 1.00 22.55 C +ATOM 665 CD PRO A 90 25.596 3.091 30.170 1.00 23.04 C +ATOM 666 N PRO A 91 27.949 6.370 27.582 1.00 22.91 N +ATOM 667 CA PRO A 91 27.980 7.512 28.499 1.00 23.54 C +ATOM 668 C PRO A 91 26.773 8.459 28.464 1.00 23.07 C +ATOM 669 O PRO A 91 26.675 9.296 29.347 1.00 23.85 O +ATOM 670 CB PRO A 91 29.213 8.297 28.032 1.00 23.92 C +ATOM 671 CG PRO A 91 29.497 7.849 26.618 1.00 23.52 C +ATOM 672 CD PRO A 91 28.703 6.622 26.334 1.00 23.76 C +ATOM 673 N ARG A 92 25.895 8.354 27.474 1.00 22.93 N +ATOM 674 CA ARG A 92 24.758 9.276 27.369 1.00 22.80 C +ATOM 675 C ARG A 92 23.723 9.087 28.495 1.00 21.08 C +ATOM 676 O ARG A 92 23.126 10.061 28.984 1.00 20.66 O +ATOM 677 CB ARG A 92 24.061 9.104 26.013 1.00 23.44 C +ATOM 678 CG ARG A 92 24.840 9.597 24.767 1.00 27.91 C +ATOM 679 CD ARG A 92 23.929 9.706 23.549 1.00 33.30 C +ATOM 680 NE ARG A 92 24.604 10.016 22.293 1.00 37.31 N +ATOM 681 CZ ARG A 92 24.073 9.764 21.101 1.00 39.20 C +ATOM 682 NH1 ARG A 92 22.874 9.193 21.023 1.00 40.68 N +ATOM 683 NH2 ARG A 92 24.732 10.077 19.992 1.00 39.76 N +ATOM 684 N TYR A 93 23.523 7.832 28.891 1.00 19.69 N +ATOM 685 CA TYR A 93 22.506 7.459 29.900 1.00 18.90 C +ATOM 686 C TYR A 93 23.103 6.541 30.948 1.00 17.66 C +ATOM 687 O TYR A 93 23.880 5.641 30.609 1.00 17.53 O +ATOM 688 CB TYR A 93 21.382 6.699 29.219 1.00 18.51 C +ATOM 689 CG TYR A 93 20.821 7.398 28.014 1.00 20.37 C +ATOM 690 CD1 TYR A 93 20.198 8.617 28.137 1.00 19.08 C +ATOM 691 CD2 TYR A 93 20.934 6.832 26.740 1.00 20.68 C +ATOM 692 CE1 TYR A 93 19.674 9.273 27.022 1.00 22.34 C +ATOM 693 CE2 TYR A 93 20.402 7.469 25.632 1.00 21.47 C +ATOM 694 CZ TYR A 93 19.780 8.685 25.779 1.00 21.54 C +ATOM 695 OH TYR A 93 19.261 9.323 24.677 1.00 22.47 O +ATOM 696 N PRO A 94 22.716 6.725 32.206 1.00 16.21 N +ATOM 697 CA PRO A 94 23.300 5.943 33.307 1.00 15.90 C +ATOM 698 C PRO A 94 22.823 4.500 33.363 1.00 14.99 C +ATOM 699 O PRO A 94 21.664 4.208 33.058 1.00 14.39 O +ATOM 700 CB PRO A 94 22.819 6.693 34.566 1.00 16.49 C +ATOM 701 CG PRO A 94 21.522 7.381 34.137 1.00 16.17 C +ATOM 702 CD PRO A 94 21.681 7.677 32.665 1.00 16.69 C +ATOM 703 N LYS A 95 23.710 3.607 33.797 1.00 14.61 N +ATOM 704 CA LYS A 95 23.429 2.190 33.990 1.00 15.33 C +ATOM 705 C LYS A 95 22.560 2.100 35.243 1.00 14.77 C +ATOM 706 O LYS A 95 22.908 2.681 36.279 1.00 15.17 O +ATOM 707 CB LYS A 95 24.737 1.420 34.209 1.00 16.16 C +ATOM 708 CG LYS A 95 24.581 0.005 34.715 1.00 19.60 C +ATOM 709 CD LYS A 95 25.959 -0.682 34.825 1.00 24.56 C +ATOM 710 CE LYS A 95 25.847 -2.116 35.357 1.00 26.80 C +ATOM 711 NZ LYS A 95 27.109 -2.914 35.073 1.00 29.09 N +ATOM 712 N LEU A 96 21.431 1.411 35.151 1.00 13.42 N +ATOM 713 CA LEU A 96 20.511 1.374 36.317 1.00 13.61 C +ATOM 714 C LEU A 96 20.487 0.056 37.063 1.00 13.46 C +ATOM 715 O LEU A 96 19.883 -0.036 38.141 1.00 14.02 O +ATOM 716 CB LEU A 96 19.089 1.759 35.888 1.00 14.03 C +ATOM 717 CG LEU A 96 18.940 3.222 35.446 1.00 13.75 C +ATOM 718 CD1 LEU A 96 17.504 3.487 34.981 1.00 13.83 C +ATOM 719 CD2 LEU A 96 19.378 4.225 36.524 1.00 13.52 C +ATOM 720 N ALA A 97 21.126 -0.979 36.518 1.00 13.60 N +ATOM 721 CA ALA A 97 21.110 -2.281 37.194 1.00 13.65 C +ATOM 722 C ALA A 97 21.741 -2.248 38.582 1.00 13.29 C +ATOM 723 O ALA A 97 22.742 -1.544 38.832 1.00 12.45 O +ATOM 724 CB ALA A 97 21.774 -3.362 36.339 1.00 14.94 C +ATOM 725 N ALA A 98 21.173 -3.046 39.466 1.00 12.15 N +ATOM 726 CA ALA A 98 21.710 -3.230 40.801 1.00 12.10 C +ATOM 727 C ALA A 98 23.047 -3.950 40.733 1.00 12.29 C +ATOM 728 O ALA A 98 23.308 -4.704 39.805 1.00 12.08 O +ATOM 729 CB ALA A 98 20.738 -4.066 41.669 1.00 12.93 C +ATOM 730 N LEU A 99 23.865 -3.723 41.745 1.00 11.53 N +ATOM 731 CA LEU A 99 25.142 -4.410 41.909 1.00 12.45 C +ATOM 732 C LEU A 99 25.016 -5.710 42.682 1.00 11.93 C +ATOM 733 O LEU A 99 25.788 -6.661 42.453 1.00 11.34 O +ATOM 734 CB LEU A 99 26.089 -3.515 42.694 1.00 12.88 C +ATOM 735 CG LEU A 99 26.483 -2.204 42.033 1.00 17.39 C +ATOM 736 CD1 LEU A 99 27.322 -1.382 43.008 1.00 21.16 C +ATOM 737 CD2 LEU A 99 27.293 -2.476 40.775 1.00 21.97 C +ATOM 738 N ASN A 100 24.132 -5.714 43.680 1.00 11.28 N +ATOM 739 CA ASN A 100 23.945 -6.877 44.543 1.00 11.31 C +ATOM 740 C ASN A 100 22.763 -7.680 44.065 1.00 12.15 C +ATOM 741 O ASN A 100 21.657 -7.195 44.082 1.00 11.50 O +ATOM 742 CB ASN A 100 23.699 -6.448 45.982 1.00 11.95 C +ATOM 743 CG ASN A 100 24.879 -5.716 46.586 1.00 10.88 C +ATOM 744 OD1 ASN A 100 25.872 -6.332 47.083 1.00 12.32 O +ATOM 745 ND2 ASN A 100 24.814 -4.388 46.516 1.00 12.23 N +ATOM 746 N PRO A 101 23.005 -8.901 43.621 1.00 13.65 N +ATOM 747 CA PRO A 101 21.935 -9.724 43.076 1.00 13.77 C +ATOM 748 C PRO A 101 20.732 -9.791 44.011 1.00 12.50 C +ATOM 749 O PRO A 101 19.644 -9.797 43.509 1.00 12.66 O +ATOM 750 CB PRO A 101 22.578 -11.096 42.979 1.00 14.14 C +ATOM 751 CG PRO A 101 24.059 -10.791 42.762 1.00 14.95 C +ATOM 752 CD PRO A 101 24.318 -9.580 43.592 1.00 13.82 C +ATOM 753 N GLU A 102 20.934 -9.873 45.319 1.00 12.90 N +ATOM 754 CA GLU A 102 19.809 -9.994 46.258 1.00 14.70 C +ATOM 755 C GLU A 102 18.840 -8.809 46.168 1.00 13.34 C +ATOM 756 O GLU A 102 17.653 -8.915 46.509 1.00 12.51 O +ATOM 757 CB GLU A 102 20.311 -10.115 47.695 1.00 15.72 C +ATOM 758 CG GLU A 102 21.486 -11.056 47.894 1.00 22.00 C +ATOM 759 CD GLU A 102 21.929 -11.123 49.351 1.00 30.85 C +ATOM 760 OE1 GLU A 102 22.806 -10.318 49.770 1.00 32.99 O +ATOM 761 OE2 GLU A 102 21.373 -11.971 50.090 1.00 33.53 O +ATOM 762 N SER A 103 19.342 -7.684 45.687 1.00 11.83 N +ATOM 763 CA SER A 103 18.513 -6.498 45.562 1.00 11.80 C +ATOM 764 C SER A 103 17.399 -6.712 44.562 1.00 11.85 C +ATOM 765 O SER A 103 16.354 -6.076 44.655 1.00 11.17 O +ATOM 766 CB SER A 103 19.341 -5.309 45.117 1.00 12.10 C +ATOM 767 OG SER A 103 20.291 -4.980 46.119 1.00 12.06 O +ATOM 768 N ASN A 104 17.635 -7.607 43.615 1.00 12.34 N +ATOM 769 CA ASN A 104 16.664 -7.852 42.558 1.00 13.70 C +ATOM 770 C ASN A 104 15.527 -8.783 42.987 1.00 14.80 C +ATOM 771 O ASN A 104 14.598 -8.990 42.209 1.00 15.06 O +ATOM 772 CB ASN A 104 17.382 -8.460 41.362 1.00 14.65 C +ATOM 773 CG ASN A 104 18.284 -7.467 40.699 1.00 12.25 C +ATOM 774 OD1 ASN A 104 17.971 -6.276 40.656 1.00 13.52 O +ATOM 775 ND2 ASN A 104 19.431 -7.938 40.186 1.00 13.84 N +ATOM 776 N THR A 105 15.632 -9.370 44.174 1.00 15.16 N +ATOM 777 CA THR A 105 14.546 -10.235 44.664 1.00 17.49 C +ATOM 778 C THR A 105 13.951 -9.802 45.987 1.00 17.83 C +ATOM 779 O THR A 105 12.778 -10.117 46.269 1.00 17.54 O +ATOM 780 CB THR A 105 14.978 -11.708 44.750 1.00 17.63 C +ATOM 781 OG1 THR A 105 16.184 -11.844 45.524 1.00 18.50 O +ATOM 782 CG2 THR A 105 15.386 -12.223 43.377 1.00 20.19 C +ATOM 783 N ALA A 106 14.722 -9.091 46.804 1.00 16.32 N +ATOM 784 CA ALA A 106 14.211 -8.675 48.111 1.00 15.17 C +ATOM 785 C ALA A 106 12.846 -8.005 48.025 1.00 14.95 C +ATOM 786 O ALA A 106 12.638 -7.101 47.233 1.00 14.65 O +ATOM 787 CB ALA A 106 15.199 -7.736 48.814 1.00 14.63 C +ATOM 788 N GLY A 107 11.919 -8.505 48.833 1.00 14.49 N +ATOM 789 CA GLY A 107 10.603 -7.903 48.969 1.00 15.14 C +ATOM 790 C GLY A 107 9.613 -8.185 47.843 1.00 16.08 C +ATOM 791 O GLY A 107 8.459 -7.774 47.950 1.00 15.89 O +ATOM 792 N LEU A 108 10.023 -8.836 46.767 1.00 17.54 N +ATOM 793 CA LEU A 108 9.058 -9.044 45.680 1.00 20.22 C +ATOM 794 C LEU A 108 7.962 -10.038 46.056 1.00 20.16 C +ATOM 795 O LEU A 108 6.949 -10.078 45.384 1.00 21.60 O +ATOM 796 CB LEU A 108 9.705 -9.505 44.404 1.00 21.30 C +ATOM 797 CG LEU A 108 10.525 -8.426 43.668 1.00 21.16 C +ATOM 798 CD1 LEU A 108 10.943 -9.000 42.366 1.00 24.05 C +ATOM 799 CD2 LEU A 108 9.732 -7.128 43.451 1.00 22.65 C +ATOM 800 N ASP A 109 8.186 -10.862 47.074 1.00 18.79 N +ATOM 801 CA ASP A 109 7.113 -11.786 47.500 1.00 17.95 C +ATOM 802 C ASP A 109 5.981 -11.067 48.223 1.00 16.52 C +ATOM 803 O ASP A 109 4.888 -11.646 48.422 1.00 15.56 O +ATOM 804 CB ASP A 109 7.669 -12.940 48.348 1.00 19.05 C +ATOM 805 CG ASP A 109 8.281 -12.478 49.641 1.00 21.39 C +ATOM 806 OD1 ASP A 109 8.565 -11.275 49.767 1.00 22.17 O +ATOM 807 OD2 ASP A 109 8.540 -13.259 50.595 1.00 25.65 O +ATOM 808 N ILE A 110 6.218 -9.815 48.608 1.00 14.62 N +ATOM 809 CA ILE A 110 5.248 -9.067 49.382 1.00 14.96 C +ATOM 810 C ILE A 110 3.947 -8.834 48.607 1.00 14.87 C +ATOM 811 O ILE A 110 2.816 -8.931 49.165 1.00 14.20 O +ATOM 812 CB ILE A 110 5.860 -7.749 49.864 1.00 15.96 C +ATOM 813 CG1 ILE A 110 7.011 -8.044 50.841 1.00 15.85 C +ATOM 814 CG2 ILE A 110 4.783 -6.816 50.434 1.00 13.29 C +ATOM 815 CD1 ILE A 110 7.996 -6.853 51.056 1.00 19.21 C +ATOM 816 N PHE A 111 4.099 -8.513 47.330 1.00 13.41 N +ATOM 817 CA PHE A 111 2.947 -8.189 46.493 1.00 13.98 C +ATOM 818 C PHE A 111 1.994 -9.372 46.409 1.00 13.84 C +ATOM 819 O PHE A 111 0.768 -9.195 46.544 1.00 13.85 O +ATOM 820 CB PHE A 111 3.378 -7.711 45.105 1.00 13.81 C +ATOM 821 CG PHE A 111 2.311 -6.895 44.391 1.00 13.78 C +ATOM 822 CD1 PHE A 111 1.751 -5.780 45.006 1.00 13.20 C +ATOM 823 CD2 PHE A 111 1.888 -7.232 43.126 1.00 17.58 C +ATOM 824 CE1 PHE A 111 0.781 -5.015 44.367 1.00 16.70 C +ATOM 825 CE2 PHE A 111 0.903 -6.473 42.480 1.00 19.19 C +ATOM 826 CZ PHE A 111 0.352 -5.361 43.106 1.00 17.84 C +ATOM 827 N ALA A 112 2.535 -10.586 46.190 1.00 13.86 N +ATOM 828 CA ALA A 112 1.682 -11.766 46.116 1.00 15.18 C +ATOM 829 C ALA A 112 0.957 -12.024 47.458 1.00 14.87 C +ATOM 830 O ALA A 112 -0.223 -12.412 47.510 1.00 14.53 O +ATOM 831 CB ALA A 112 2.500 -12.985 45.723 1.00 16.14 C +ATOM 832 N LYS A 113 1.705 -11.854 48.542 1.00 14.35 N +ATOM 833 CA LYS A 113 1.108 -12.030 49.855 1.00 14.60 C +ATOM 834 C LYS A 113 0.003 -11.015 50.083 1.00 13.30 C +ATOM 835 O LYS A 113 -1.064 -11.371 50.614 1.00 12.99 O +ATOM 836 CB LYS A 113 2.159 -11.971 50.930 1.00 15.16 C +ATOM 837 CG LYS A 113 3.066 -13.199 50.808 1.00 18.11 C +ATOM 838 CD LYS A 113 4.196 -13.171 51.799 1.00 21.17 C +ATOM 839 CE LYS A 113 5.133 -14.362 51.572 1.00 24.16 C +ATOM 840 NZ LYS A 113 4.421 -15.654 51.637 1.00 23.93 N +ATOM 841 N PHE A 114 0.244 -9.768 49.671 1.00 11.33 N +ATOM 842 CA PHE A 114 -0.780 -8.733 49.790 1.00 12.08 C +ATOM 843 C PHE A 114 -2.067 -9.102 49.038 1.00 11.63 C +ATOM 844 O PHE A 114 -3.210 -8.939 49.539 1.00 11.82 O +ATOM 845 CB PHE A 114 -0.214 -7.389 49.317 1.00 10.52 C +ATOM 846 CG PHE A 114 -1.231 -6.461 48.713 1.00 12.54 C +ATOM 847 CD1 PHE A 114 -2.166 -5.774 49.509 1.00 11.61 C +ATOM 848 CD2 PHE A 114 -1.264 -6.263 47.341 1.00 11.53 C +ATOM 849 CE1 PHE A 114 -3.090 -4.915 48.933 1.00 12.89 C +ATOM 850 CE2 PHE A 114 -2.157 -5.386 46.758 1.00 13.19 C +ATOM 851 CZ PHE A 114 -3.104 -4.721 47.552 1.00 14.58 C +ATOM 852 N SER A 115 -1.872 -9.591 47.819 1.00 11.98 N +ATOM 853 CA SER A 115 -2.977 -9.907 46.931 1.00 12.20 C +ATOM 854 C SER A 115 -3.878 -10.943 47.586 1.00 12.14 C +ATOM 855 O SER A 115 -5.099 -10.752 47.669 1.00 12.15 O +ATOM 856 CB SER A 115 -2.428 -10.415 45.591 1.00 12.79 C +ATOM 857 OG SER A 115 -1.897 -9.334 44.839 1.00 13.21 O +ATOM 858 N ALA A 116 -3.275 -12.036 48.042 1.00 11.33 N +ATOM 859 CA ALA A 116 -4.007 -13.089 48.719 1.00 12.25 C +ATOM 860 C ALA A 116 -4.704 -12.524 49.953 1.00 12.50 C +ATOM 861 O ALA A 116 -5.880 -12.823 50.204 1.00 10.71 O +ATOM 862 CB ALA A 116 -3.100 -14.236 49.092 1.00 12.86 C +ATOM 863 N TYR A 117 -3.998 -11.672 50.692 1.00 11.45 N +ATOM 864 CA TYR A 117 -4.564 -11.084 51.921 1.00 11.26 C +ATOM 865 C TYR A 117 -5.780 -10.202 51.662 1.00 10.58 C +ATOM 866 O TYR A 117 -6.789 -10.224 52.422 1.00 8.86 O +ATOM 867 CB TYR A 117 -3.447 -10.337 52.687 1.00 11.83 C +ATOM 868 CG TYR A 117 -3.873 -9.266 53.691 1.00 11.62 C +ATOM 869 CD1 TYR A 117 -4.157 -9.580 55.012 1.00 16.16 C +ATOM 870 CD2 TYR A 117 -3.906 -7.929 53.324 1.00 15.35 C +ATOM 871 CE1 TYR A 117 -4.513 -8.587 55.929 1.00 14.73 C +ATOM 872 CE2 TYR A 117 -4.258 -6.940 54.229 1.00 15.96 C +ATOM 873 CZ TYR A 117 -4.562 -7.287 55.530 1.00 18.22 C +ATOM 874 OH TYR A 117 -4.890 -6.304 56.432 1.00 20.28 O +ATOM 875 N ILE A 118 -5.742 -9.449 50.574 1.00 9.18 N +ATOM 876 CA ILE A 118 -6.777 -8.450 50.336 1.00 10.98 C +ATOM 877 C ILE A 118 -7.995 -9.045 49.644 1.00 9.61 C +ATOM 878 O ILE A 118 -9.079 -8.473 49.705 1.00 9.66 O +ATOM 879 CB ILE A 118 -6.174 -7.232 49.559 1.00 11.17 C +ATOM 880 CG1 ILE A 118 -6.849 -5.917 49.964 1.00 14.02 C +ATOM 881 CG2 ILE A 118 -6.225 -7.431 48.070 1.00 13.52 C +ATOM 882 CD1 ILE A 118 -6.441 -5.437 51.352 1.00 17.74 C +ATOM 883 N LYS A 119 -7.825 -10.198 48.999 1.00 8.98 N +ATOM 884 CA LYS A 119 -8.938 -10.809 48.275 1.00 9.90 C +ATOM 885 C LYS A 119 -9.716 -11.721 49.210 1.00 9.44 C +ATOM 886 O LYS A 119 -10.875 -12.067 48.931 1.00 7.93 O +ATOM 887 CB LYS A 119 -8.446 -11.639 47.085 1.00 11.12 C +ATOM 888 CG LYS A 119 -7.687 -10.818 46.036 1.00 15.29 C +ATOM 889 CD LYS A 119 -7.020 -11.733 45.008 1.00 22.39 C +ATOM 890 CE LYS A 119 -6.374 -10.933 43.865 1.00 24.09 C +ATOM 891 NZ LYS A 119 -5.998 -11.849 42.734 1.00 25.07 N +ATOM 892 N ASN A 120 -9.078 -12.156 50.294 1.00 8.55 N +ATOM 893 CA ASN A 120 -9.773 -13.017 51.245 1.00 8.34 C +ATOM 894 C ASN A 120 -10.784 -12.218 52.069 1.00 8.27 C +ATOM 895 O ASN A 120 -10.497 -11.078 52.432 1.00 9.52 O +ATOM 896 CB ASN A 120 -8.765 -13.661 52.205 1.00 8.77 C +ATOM 897 CG ASN A 120 -9.453 -14.301 53.405 1.00 8.77 C +ATOM 898 OD1 ASN A 120 -10.317 -15.193 53.248 1.00 8.38 O +ATOM 899 ND2 ASN A 120 -9.126 -13.807 54.606 1.00 6.29 N +ATOM 900 N SER A 121 -11.924 -12.810 52.397 1.00 7.11 N +ATOM 901 CA SER A 121 -12.929 -12.115 53.200 1.00 6.36 C +ATOM 902 C SER A 121 -13.252 -12.873 54.470 1.00 7.15 C +ATOM 903 O SER A 121 -14.081 -12.422 55.296 1.00 6.77 O +ATOM 904 CB SER A 121 -14.221 -11.973 52.396 1.00 7.09 C +ATOM 905 OG SER A 121 -14.869 -13.220 52.252 1.00 3.25 O +ATOM 906 N ASN A 122 -12.659 -14.044 54.639 1.00 5.89 N +ATOM 907 CA ASN A 122 -13.010 -14.802 55.838 1.00 6.18 C +ATOM 908 C ASN A 122 -12.064 -14.469 56.986 1.00 5.76 C +ATOM 909 O ASN A 122 -10.845 -14.558 56.840 1.00 4.05 O +ATOM 910 CB ASN A 122 -13.062 -16.300 55.566 1.00 5.85 C +ATOM 911 CG ASN A 122 -13.133 -17.084 56.827 1.00 8.43 C +ATOM 912 OD1 ASN A 122 -14.173 -17.149 57.459 1.00 5.59 O +ATOM 913 ND2 ASN A 122 -12.014 -17.650 57.238 1.00 9.35 N +ATOM 914 N PRO A 123 -12.595 -14.028 58.118 1.00 5.54 N +ATOM 915 CA PRO A 123 -11.714 -13.618 59.222 1.00 6.85 C +ATOM 916 C PRO A 123 -10.867 -14.759 59.772 1.00 7.28 C +ATOM 917 O PRO A 123 -9.777 -14.497 60.284 1.00 9.01 O +ATOM 918 CB PRO A 123 -12.685 -13.115 60.304 1.00 7.96 C +ATOM 919 CG PRO A 123 -14.011 -13.065 59.665 1.00 8.01 C +ATOM 920 CD PRO A 123 -14.037 -13.909 58.450 1.00 6.76 C +ATOM 921 N ALA A 124 -11.310 -16.003 59.628 1.00 7.01 N +ATOM 922 CA ALA A 124 -10.534 -17.102 60.160 1.00 9.13 C +ATOM 923 C ALA A 124 -9.238 -17.205 59.424 1.00 10.93 C +ATOM 924 O ALA A 124 -8.218 -17.508 60.011 1.00 14.40 O +ATOM 925 CB ALA A 124 -11.316 -18.432 60.079 1.00 8.75 C +ATOM 926 N LEU A 125 -9.258 -16.901 58.137 1.00 10.17 N +ATOM 927 CA LEU A 125 -8.065 -17.038 57.308 1.00 10.66 C +ATOM 928 C LEU A 125 -7.245 -15.741 57.330 1.00 11.49 C +ATOM 929 O LEU A 125 -6.040 -15.742 57.122 1.00 10.60 O +ATOM 930 CB LEU A 125 -8.460 -17.392 55.872 1.00 9.72 C +ATOM 931 CG LEU A 125 -7.297 -17.387 54.859 1.00 13.71 C +ATOM 932 CD1 LEU A 125 -6.173 -18.322 55.304 1.00 16.96 C +ATOM 933 CD2 LEU A 125 -7.773 -17.763 53.460 1.00 14.32 C +ATOM 934 N ASN A 126 -7.918 -14.637 57.595 1.00 12.43 N +ATOM 935 CA ASN A 126 -7.212 -13.359 57.650 1.00 14.23 C +ATOM 936 C ASN A 126 -6.097 -13.381 58.676 1.00 14.63 C +ATOM 937 O ASN A 126 -5.057 -12.796 58.458 1.00 15.00 O +ATOM 938 CB ASN A 126 -8.175 -12.231 57.993 1.00 14.29 C +ATOM 939 CG ASN A 126 -7.465 -10.896 58.110 1.00 17.11 C +ATOM 940 OD1 ASN A 126 -7.216 -10.401 59.208 1.00 20.52 O +ATOM 941 ND2 ASN A 126 -7.123 -10.333 56.992 1.00 16.08 N +ATOM 942 N ASP A 127 -6.288 -14.061 59.800 1.00 15.72 N +ATOM 943 CA ASP A 127 -5.216 -14.090 60.800 1.00 16.84 C +ATOM 944 C ASP A 127 -3.906 -14.589 60.207 1.00 15.74 C +ATOM 945 O ASP A 127 -2.830 -13.966 60.361 1.00 15.74 O +ATOM 946 CB ASP A 127 -5.603 -14.967 61.984 1.00 18.07 C +ATOM 947 CG ASP A 127 -4.627 -14.844 63.152 1.00 22.38 C +ATOM 948 OD1 ASP A 127 -3.452 -15.253 63.012 1.00 26.41 O +ATOM 949 OD2 ASP A 127 -4.958 -14.370 64.262 1.00 28.35 O +ATOM 950 N ASN A 128 -3.988 -15.714 59.508 1.00 14.28 N +ATOM 951 CA ASN A 128 -2.818 -16.304 58.877 1.00 14.43 C +ATOM 952 C ASN A 128 -2.239 -15.482 57.700 1.00 13.96 C +ATOM 953 O ASN A 128 -1.007 -15.334 57.545 1.00 12.94 O +ATOM 954 CB ASN A 128 -3.190 -17.710 58.418 1.00 14.66 C +ATOM 955 CG ASN A 128 -2.032 -18.459 57.845 1.00 16.99 C +ATOM 956 OD1 ASN A 128 -1.809 -18.416 56.646 1.00 20.11 O +ATOM 957 ND2 ASN A 128 -1.290 -19.173 58.696 1.00 17.71 N +ATOM 958 N LEU A 129 -3.104 -14.951 56.852 1.00 13.18 N +ATOM 959 CA LEU A 129 -2.597 -14.179 55.704 1.00 14.57 C +ATOM 960 C LEU A 129 -1.928 -12.867 56.128 1.00 14.81 C +ATOM 961 O LEU A 129 -0.906 -12.439 55.537 1.00 15.05 O +ATOM 962 CB LEU A 129 -3.712 -13.915 54.701 1.00 14.39 C +ATOM 963 CG LEU A 129 -4.362 -15.183 54.140 1.00 15.45 C +ATOM 964 CD1 LEU A 129 -5.560 -14.810 53.311 1.00 19.35 C +ATOM 965 CD2 LEU A 129 -3.350 -15.956 53.315 1.00 16.34 C +ATOM 966 N GLU A 130 -2.494 -12.229 57.141 1.00 15.08 N +ATOM 967 CA GLU A 130 -1.901 -11.011 57.674 1.00 15.92 C +ATOM 968 C GLU A 130 -0.529 -11.321 58.259 1.00 16.09 C +ATOM 969 O GLU A 130 0.442 -10.605 57.997 1.00 14.35 O +ATOM 970 CB GLU A 130 -2.774 -10.362 58.731 1.00 16.52 C +ATOM 971 CG GLU A 130 -2.333 -8.941 59.022 1.00 17.70 C +ATOM 972 CD GLU A 130 -3.209 -8.217 60.011 1.00 22.60 C +ATOM 973 OE1 GLU A 130 -4.448 -8.375 59.955 1.00 23.78 O +ATOM 974 OE2 GLU A 130 -2.648 -7.461 60.836 1.00 24.38 O +ATOM 975 N LYS A 131 -0.422 -12.389 59.040 1.00 15.94 N +ATOM 976 CA LYS A 131 0.904 -12.720 59.569 1.00 16.87 C +ATOM 977 C LYS A 131 1.918 -13.009 58.471 1.00 15.89 C +ATOM 978 O LYS A 131 3.091 -12.650 58.600 1.00 16.37 O +ATOM 979 CB LYS A 131 0.842 -13.885 60.546 1.00 17.25 C +ATOM 980 CG LYS A 131 0.427 -13.464 61.952 1.00 19.98 C +ATOM 981 CD LYS A 131 -0.053 -12.031 61.997 1.00 22.80 C +ATOM 982 CE LYS A 131 -0.237 -11.557 63.444 1.00 26.60 C +ATOM 983 NZ LYS A 131 -0.832 -10.190 63.543 1.00 27.50 N +ATOM 984 N GLY A 132 1.499 -13.654 57.392 1.00 14.79 N +ATOM 985 CA GLY A 132 2.438 -13.954 56.316 1.00 14.13 C +ATOM 986 C GLY A 132 2.874 -12.671 55.630 1.00 14.26 C +ATOM 987 O GLY A 132 4.064 -12.513 55.188 1.00 10.83 O +ATOM 988 N LEU A 133 1.937 -11.729 55.537 1.00 13.89 N +ATOM 989 CA LEU A 133 2.295 -10.431 54.938 1.00 13.89 C +ATOM 990 C LEU A 133 3.286 -9.720 55.849 1.00 14.20 C +ATOM 991 O LEU A 133 4.283 -9.125 55.391 1.00 14.61 O +ATOM 992 CB LEU A 133 1.056 -9.542 54.754 1.00 12.46 C +ATOM 993 CG LEU A 133 1.320 -8.112 54.249 1.00 14.11 C +ATOM 994 CD1 LEU A 133 2.029 -8.138 52.914 1.00 9.74 C +ATOM 995 CD2 LEU A 133 -0.044 -7.348 54.147 1.00 12.08 C +ATOM 996 N LEU A 134 3.024 -9.760 57.148 1.00 15.10 N +ATOM 997 CA LEU A 134 3.946 -9.106 58.072 1.00 16.52 C +ATOM 998 C LEU A 134 5.335 -9.725 58.028 1.00 16.67 C +ATOM 999 O LEU A 134 6.348 -9.015 58.085 1.00 18.51 O +ATOM 1000 CB LEU A 134 3.405 -9.150 59.485 1.00 14.93 C +ATOM 1001 CG LEU A 134 2.247 -8.189 59.733 1.00 16.60 C +ATOM 1002 CD1 LEU A 134 1.505 -8.608 60.992 1.00 15.10 C +ATOM 1003 CD2 LEU A 134 2.753 -6.763 59.837 1.00 15.28 C +ATOM 1004 N LYS A 135 5.386 -11.045 57.883 1.00 17.45 N +ATOM 1005 CA LYS A 135 6.650 -11.774 57.823 1.00 17.75 C +ATOM 1006 C LYS A 135 7.457 -11.370 56.598 1.00 17.62 C +ATOM 1007 O LYS A 135 8.702 -11.173 56.667 1.00 16.82 O +ATOM 1008 CB LYS A 135 6.388 -13.273 57.796 1.00 18.73 C +ATOM 1009 CG LYS A 135 7.635 -14.126 57.901 1.00 21.01 C +ATOM 1010 CD LYS A 135 7.291 -15.553 58.289 1.00 26.88 C +ATOM 1011 CE LYS A 135 8.547 -16.377 58.433 1.00 28.57 C +ATOM 1012 NZ LYS A 135 9.462 -15.743 59.435 1.00 30.65 N +ATOM 1013 N ALA A 136 6.765 -11.263 55.469 1.00 16.20 N +ATOM 1014 CA ALA A 136 7.424 -10.810 54.244 1.00 15.83 C +ATOM 1015 C ALA A 136 7.904 -9.367 54.374 1.00 16.05 C +ATOM 1016 O ALA A 136 8.960 -9.016 53.848 1.00 15.50 O +ATOM 1017 CB ALA A 136 6.489 -10.948 53.082 1.00 16.42 C +ATOM 1018 N LEU A 137 7.121 -8.513 55.029 1.00 15.14 N +ATOM 1019 CA LEU A 137 7.592 -7.144 55.258 1.00 14.86 C +ATOM 1020 C LEU A 137 8.838 -7.143 56.143 1.00 14.81 C +ATOM 1021 O LEU A 137 9.791 -6.396 55.885 1.00 14.26 O +ATOM 1022 CB LEU A 137 6.488 -6.304 55.886 1.00 14.50 C +ATOM 1023 CG LEU A 137 5.446 -5.849 54.857 1.00 14.27 C +ATOM 1024 CD1 LEU A 137 4.162 -5.399 55.580 1.00 12.40 C +ATOM 1025 CD2 LEU A 137 6.017 -4.710 53.994 1.00 12.99 C +ATOM 1026 N LYS A 138 8.859 -8.010 57.151 1.00 14.06 N +ATOM 1027 CA LYS A 138 10.002 -8.094 58.037 1.00 15.03 C +ATOM 1028 C LYS A 138 11.246 -8.543 57.297 1.00 14.74 C +ATOM 1029 O LYS A 138 12.324 -8.056 57.594 1.00 14.16 O +ATOM 1030 CB LYS A 138 9.756 -9.047 59.227 1.00 15.24 C +ATOM 1031 CG LYS A 138 10.919 -9.034 60.272 1.00 18.22 C +ATOM 1032 CD LYS A 138 11.131 -7.603 60.743 1.00 22.52 C +ATOM 1033 CE LYS A 138 12.181 -7.444 61.830 1.00 25.80 C +ATOM 1034 NZ LYS A 138 12.459 -5.986 62.037 1.00 25.78 N +ATOM 1035 N VAL A 139 11.103 -9.490 56.376 1.00 14.20 N +ATOM 1036 CA VAL A 139 12.252 -9.995 55.633 1.00 14.88 C +ATOM 1037 C VAL A 139 12.856 -8.841 54.829 1.00 13.72 C +ATOM 1038 O VAL A 139 14.083 -8.653 54.805 1.00 12.06 O +ATOM 1039 CB VAL A 139 11.872 -11.173 54.716 1.00 15.55 C +ATOM 1040 CG1 VAL A 139 12.986 -11.464 53.742 1.00 16.61 C +ATOM 1041 CG2 VAL A 139 11.533 -12.449 55.559 1.00 15.53 C +ATOM 1042 N LEU A 140 12.002 -8.051 54.188 1.00 12.77 N +ATOM 1043 CA LEU A 140 12.481 -6.877 53.446 1.00 13.12 C +ATOM 1044 C LEU A 140 13.142 -5.854 54.386 1.00 13.49 C +ATOM 1045 O LEU A 140 14.133 -5.225 54.046 1.00 12.28 O +ATOM 1046 CB LEU A 140 11.363 -6.206 52.644 1.00 12.44 C +ATOM 1047 CG LEU A 140 11.706 -4.830 52.038 1.00 12.22 C +ATOM 1048 CD1 LEU A 140 12.838 -4.961 51.016 1.00 12.53 C +ATOM 1049 CD2 LEU A 140 10.455 -4.210 51.358 1.00 12.32 C +ATOM 1050 N ASP A 141 12.547 -5.657 55.554 1.00 12.82 N +ATOM 1051 CA ASP A 141 13.098 -4.747 56.543 1.00 12.67 C +ATOM 1052 C ASP A 141 14.507 -5.178 56.949 1.00 12.10 C +ATOM 1053 O ASP A 141 15.401 -4.348 57.074 1.00 12.69 O +ATOM 1054 CB ASP A 141 12.221 -4.738 57.791 1.00 12.46 C +ATOM 1055 CG ASP A 141 12.618 -3.669 58.743 1.00 13.38 C +ATOM 1056 OD1 ASP A 141 12.352 -2.478 58.433 1.00 11.88 O +ATOM 1057 OD2 ASP A 141 13.236 -3.912 59.808 1.00 14.58 O +ATOM 1058 N ASN A 142 14.704 -6.477 57.130 1.00 11.59 N +ATOM 1059 CA ASN A 142 16.055 -6.969 57.468 1.00 11.39 C +ATOM 1060 C ASN A 142 17.041 -6.747 56.317 1.00 11.46 C +ATOM 1061 O ASN A 142 18.231 -6.458 56.542 1.00 9.85 O +ATOM 1062 CB ASN A 142 16.012 -8.442 57.880 1.00 12.51 C +ATOM 1063 CG ASN A 142 15.348 -8.650 59.253 1.00 12.16 C +ATOM 1064 OD1 ASN A 142 15.285 -7.722 60.064 1.00 16.92 O +ATOM 1065 ND2 ASN A 142 14.885 -9.873 59.523 1.00 13.45 N +ATOM 1066 N TYR A 143 16.564 -6.879 55.087 1.00 10.89 N +ATOM 1067 CA TYR A 143 17.432 -6.638 53.943 1.00 10.49 C +ATOM 1068 C TYR A 143 17.867 -5.174 53.960 1.00 10.72 C +ATOM 1069 O TYR A 143 19.022 -4.868 53.707 1.00 8.40 O +ATOM 1070 CB TYR A 143 16.756 -6.947 52.594 1.00 10.75 C +ATOM 1071 CG TYR A 143 17.728 -6.802 51.417 1.00 10.94 C +ATOM 1072 CD1 TYR A 143 18.771 -7.724 51.248 1.00 12.13 C +ATOM 1073 CD2 TYR A 143 17.659 -5.765 50.497 1.00 9.13 C +ATOM 1074 CE1 TYR A 143 19.705 -7.607 50.203 1.00 13.79 C +ATOM 1075 CE2 TYR A 143 18.591 -5.621 49.474 1.00 13.03 C +ATOM 1076 CZ TYR A 143 19.619 -6.567 49.307 1.00 14.15 C +ATOM 1077 OH TYR A 143 20.523 -6.468 48.287 1.00 11.47 O +ATOM 1078 N LEU A 144 16.933 -4.273 54.250 1.00 10.46 N +ATOM 1079 CA LEU A 144 17.228 -2.837 54.234 1.00 11.12 C +ATOM 1080 C LEU A 144 18.097 -2.329 55.388 1.00 10.99 C +ATOM 1081 O LEU A 144 18.778 -1.299 55.257 1.00 11.79 O +ATOM 1082 CB LEU A 144 15.930 -2.017 54.179 1.00 9.68 C +ATOM 1083 CG LEU A 144 15.152 -2.188 52.886 1.00 12.52 C +ATOM 1084 CD1 LEU A 144 13.678 -1.837 53.141 1.00 11.50 C +ATOM 1085 CD2 LEU A 144 15.735 -1.345 51.759 1.00 14.82 C +ATOM 1086 N THR A 145 18.114 -3.042 56.495 1.00 10.01 N +ATOM 1087 CA THR A 145 18.845 -2.544 57.637 1.00 10.82 C +ATOM 1088 C THR A 145 20.216 -3.201 57.685 1.00 11.08 C +ATOM 1089 O THR A 145 21.090 -2.764 58.416 1.00 10.96 O +ATOM 1090 CB THR A 145 18.136 -2.842 58.951 1.00 11.31 C +ATOM 1091 OG1 THR A 145 17.864 -4.239 59.053 1.00 12.86 O +ATOM 1092 CG2 THR A 145 16.771 -2.206 59.001 1.00 11.03 C +ATOM 1093 N SER A 146 20.359 -4.300 56.970 1.00 10.76 N +ATOM 1094 CA SER A 146 21.646 -5.007 56.963 1.00 11.56 C +ATOM 1095 C SER A 146 22.579 -4.430 55.900 1.00 10.91 C +ATOM 1096 O SER A 146 22.130 -4.095 54.820 1.00 11.47 O +ATOM 1097 CB SER A 146 21.405 -6.485 56.677 1.00 11.41 C +ATOM 1098 OG SER A 146 20.838 -7.122 57.823 1.00 14.65 O +ATOM 1099 N PRO A 147 23.876 -4.356 56.179 1.00 10.55 N +ATOM 1100 CA PRO A 147 24.829 -3.831 55.185 1.00 10.17 C +ATOM 1101 C PRO A 147 24.790 -4.680 53.939 1.00 9.54 C +ATOM 1102 O PRO A 147 24.467 -5.860 54.029 1.00 11.64 O +ATOM 1103 CB PRO A 147 26.192 -4.032 55.862 1.00 9.87 C +ATOM 1104 CG PRO A 147 25.908 -4.151 57.305 1.00 11.61 C +ATOM 1105 CD PRO A 147 24.545 -4.764 57.429 1.00 10.02 C +ATOM 1106 N LEU A 148 25.087 -4.097 52.790 1.00 8.84 N +ATOM 1107 CA LEU A 148 25.117 -4.856 51.562 1.00 9.05 C +ATOM 1108 C LEU A 148 26.566 -5.368 51.368 1.00 9.45 C +ATOM 1109 O LEU A 148 27.518 -4.720 51.771 1.00 8.74 O +ATOM 1110 CB LEU A 148 24.810 -3.935 50.409 1.00 10.68 C +ATOM 1111 CG LEU A 148 23.378 -3.425 50.328 1.00 11.38 C +ATOM 1112 CD1 LEU A 148 23.318 -2.224 49.381 1.00 15.41 C +ATOM 1113 CD2 LEU A 148 22.520 -4.539 49.817 1.00 12.95 C +ATOM 1114 N PRO A 149 26.707 -6.524 50.751 1.00 9.52 N +ATOM 1115 CA PRO A 149 28.043 -7.050 50.406 1.00 11.53 C +ATOM 1116 C PRO A 149 28.878 -6.111 49.502 1.00 11.98 C +ATOM 1117 O PRO A 149 30.079 -5.863 49.765 1.00 13.37 O +ATOM 1118 CB PRO A 149 27.697 -8.360 49.683 1.00 11.57 C +ATOM 1119 CG PRO A 149 26.359 -8.744 50.209 1.00 12.81 C +ATOM 1120 CD PRO A 149 25.620 -7.461 50.401 1.00 10.38 C +ATOM 1121 N GLU A 150 28.263 -5.592 48.450 1.00 12.77 N +ATOM 1122 CA GLU A 150 28.943 -4.754 47.459 1.00 15.15 C +ATOM 1123 C GLU A 150 28.487 -3.294 47.493 1.00 15.54 C +ATOM 1124 O GLU A 150 27.321 -3.010 47.703 1.00 14.40 O +ATOM 1125 CB GLU A 150 28.695 -5.321 46.056 1.00 15.26 C +ATOM 1126 CG GLU A 150 29.438 -6.621 45.736 1.00 18.55 C +ATOM 1127 CD GLU A 150 29.528 -6.848 44.239 1.00 21.81 C +ATOM 1128 OE1 GLU A 150 28.688 -6.297 43.508 1.00 24.73 O +ATOM 1129 OE2 GLU A 150 30.449 -7.538 43.772 1.00 28.03 O +ATOM 1130 N GLY A 151 29.396 -2.355 47.254 1.00 16.72 N +ATOM 1131 CA GLY A 151 28.991 -0.962 47.246 1.00 19.65 C +ATOM 1132 C GLY A 151 29.926 -0.064 48.025 1.00 21.67 C +ATOM 1133 O GLY A 151 30.111 -0.241 49.228 1.00 22.70 O +ATOM 1134 N VAL A 152 30.514 0.906 47.335 1.00 22.33 N +ATOM 1135 CA VAL A 152 31.497 1.793 47.943 1.00 23.42 C +ATOM 1136 C VAL A 152 30.814 2.825 48.835 1.00 24.65 C +ATOM 1137 O VAL A 152 31.268 3.085 49.949 1.00 25.89 O +ATOM 1138 CB VAL A 152 32.303 2.500 46.853 1.00 23.62 C +ATOM 1139 CG1 VAL A 152 31.425 3.543 46.172 1.00 23.05 C +ATOM 1140 CG2 VAL A 152 33.566 3.123 47.419 1.00 23.82 C +ATOM 1141 N SER A 163 22.932 -0.986 58.182 1.00 20.91 N +ATOM 1142 CA SER A 163 22.940 -0.110 57.013 1.00 21.05 C +ATOM 1143 C SER A 163 22.061 1.129 57.202 1.00 21.51 C +ATOM 1144 O SER A 163 21.053 1.100 57.916 1.00 23.55 O +ATOM 1145 CB SER A 163 22.475 -0.858 55.753 1.00 20.63 C +ATOM 1146 OG SER A 163 22.450 0.009 54.625 1.00 17.60 O +ATOM 1147 N GLN A 164 22.455 2.192 56.513 1.00 21.22 N +ATOM 1148 CA GLN A 164 21.780 3.479 56.528 1.00 21.11 C +ATOM 1149 C GLN A 164 21.503 3.944 55.106 1.00 19.95 C +ATOM 1150 O GLN A 164 21.046 5.068 54.926 1.00 21.35 O +ATOM 1151 CB GLN A 164 22.679 4.558 57.143 1.00 21.23 C +ATOM 1152 CG GLN A 164 23.009 4.401 58.609 1.00 24.52 C +ATOM 1153 CD GLN A 164 23.906 5.533 59.117 1.00 28.77 C +ATOM 1154 OE1 GLN A 164 25.024 5.725 58.621 1.00 30.60 O +ATOM 1155 NE2 GLN A 164 23.417 6.282 60.104 1.00 30.20 N +ATOM 1156 N ARG A 165 21.791 3.118 54.099 1.00 17.64 N +ATOM 1157 CA ARG A 165 21.596 3.528 52.708 1.00 14.91 C +ATOM 1158 C ARG A 165 20.144 3.878 52.383 1.00 14.08 C +ATOM 1159 O ARG A 165 19.206 3.391 53.029 1.00 13.30 O +ATOM 1160 CB ARG A 165 22.021 2.410 51.774 1.00 14.14 C +ATOM 1161 CG ARG A 165 21.045 1.223 51.879 1.00 14.69 C +ATOM 1162 CD ARG A 165 21.545 -0.018 51.261 1.00 11.77 C +ATOM 1163 NE ARG A 165 20.530 -1.054 51.039 1.00 12.39 N +ATOM 1164 CZ ARG A 165 20.347 -2.092 51.839 1.00 12.68 C +ATOM 1165 NH1 ARG A 165 21.051 -2.194 52.961 1.00 12.62 N +ATOM 1166 NH2 ARG A 165 19.471 -3.025 51.514 1.00 10.94 N +ATOM 1167 N LYS A 166 19.937 4.692 51.356 1.00 11.40 N +ATOM 1168 CA LYS A 166 18.545 5.085 51.043 1.00 12.14 C +ATOM 1169 C LYS A 166 17.654 4.036 50.413 1.00 11.02 C +ATOM 1170 O LYS A 166 16.447 3.956 50.738 1.00 10.53 O +ATOM 1171 CB LYS A 166 18.529 6.316 50.144 1.00 13.40 C +ATOM 1172 CG LYS A 166 19.104 7.555 50.826 1.00 16.72 C +ATOM 1173 CD LYS A 166 19.147 8.746 49.863 1.00 22.42 C +ATOM 1174 CE LYS A 166 20.339 9.652 50.179 1.00 27.05 C +ATOM 1175 NZ LYS A 166 20.192 10.292 51.518 1.00 29.85 N +ATOM 1176 N PHE A 167 18.200 3.279 49.472 1.00 9.30 N +ATOM 1177 CA PHE A 167 17.398 2.401 48.634 1.00 9.73 C +ATOM 1178 C PHE A 167 17.838 0.934 48.695 1.00 9.36 C +ATOM 1179 O PHE A 167 18.701 0.579 49.521 1.00 10.34 O +ATOM 1180 CB PHE A 167 17.289 2.960 47.194 1.00 9.07 C +ATOM 1181 CG PHE A 167 16.919 4.430 47.136 1.00 10.78 C +ATOM 1182 CD1 PHE A 167 15.664 4.862 47.588 1.00 16.67 C +ATOM 1183 CD2 PHE A 167 17.820 5.379 46.620 1.00 11.43 C +ATOM 1184 CE1 PHE A 167 15.317 6.195 47.557 1.00 15.37 C +ATOM 1185 CE2 PHE A 167 17.449 6.723 46.560 1.00 12.95 C +ATOM 1186 CZ PHE A 167 16.168 7.115 47.047 1.00 14.83 C +ATOM 1187 N LEU A 168 17.236 0.076 47.864 1.00 8.26 N +ATOM 1188 CA LEU A 168 17.527 -1.333 47.934 1.00 10.11 C +ATOM 1189 C LEU A 168 18.996 -1.678 47.843 1.00 10.05 C +ATOM 1190 O LEU A 168 19.491 -2.517 48.602 1.00 12.15 O +ATOM 1191 CB LEU A 168 16.820 -2.117 46.825 1.00 9.04 C +ATOM 1192 CG LEU A 168 15.358 -2.508 47.140 1.00 12.30 C +ATOM 1193 CD1 LEU A 168 14.749 -3.073 45.824 1.00 12.50 C +ATOM 1194 CD2 LEU A 168 15.237 -3.513 48.306 1.00 13.02 C +ATOM 1195 N ASP A 169 19.664 -1.038 46.888 1.00 9.73 N +ATOM 1196 CA ASP A 169 21.030 -1.419 46.507 1.00 9.52 C +ATOM 1197 C ASP A 169 22.141 -0.430 46.859 1.00 9.86 C +ATOM 1198 O ASP A 169 23.297 -0.635 46.461 1.00 9.26 O +ATOM 1199 CB ASP A 169 21.040 -1.656 44.991 1.00 9.38 C +ATOM 1200 CG ASP A 169 22.206 -2.521 44.533 1.00 10.73 C +ATOM 1201 OD1 ASP A 169 23.004 -2.034 43.732 1.00 10.77 O +ATOM 1202 OD2 ASP A 169 22.388 -3.677 44.918 1.00 11.30 O +ATOM 1203 N GLY A 170 21.818 0.636 47.570 1.00 9.44 N +ATOM 1204 CA GLY A 170 22.808 1.671 47.848 1.00 11.19 C +ATOM 1205 C GLY A 170 22.054 2.983 47.846 1.00 13.59 C +ATOM 1206 O GLY A 170 20.847 2.976 48.080 1.00 11.94 O +ATOM 1207 N ASN A 171 22.717 4.081 47.509 1.00 12.97 N +ATOM 1208 CA ASN A 171 22.042 5.376 47.638 1.00 14.93 C +ATOM 1209 C ASN A 171 21.400 5.938 46.370 1.00 15.55 C +ATOM 1210 O ASN A 171 20.907 7.064 46.373 1.00 15.32 O +ATOM 1211 CB ASN A 171 23.007 6.406 48.228 1.00 16.12 C +ATOM 1212 CG ASN A 171 23.275 6.164 49.698 1.00 16.84 C +ATOM 1213 OD1 ASN A 171 22.349 5.947 50.485 1.00 17.93 O +ATOM 1214 ND2 ASN A 171 24.550 6.210 50.081 1.00 19.60 N +ATOM 1215 N GLU A 172 21.464 5.192 45.278 1.00 14.72 N +ATOM 1216 CA GLU A 172 20.850 5.635 44.034 1.00 15.21 C +ATOM 1217 C GLU A 172 19.726 4.667 43.703 1.00 13.28 C +ATOM 1218 O GLU A 172 19.836 3.478 44.018 1.00 12.70 O +ATOM 1219 CB GLU A 172 21.876 5.597 42.906 1.00 15.04 C +ATOM 1220 CG GLU A 172 23.022 6.601 43.095 1.00 20.30 C +ATOM 1221 CD GLU A 172 22.559 8.044 43.135 1.00 25.64 C +ATOM 1222 OE1 GLU A 172 21.629 8.420 42.372 1.00 31.60 O +ATOM 1223 OE2 GLU A 172 23.138 8.830 43.918 1.00 30.54 O +ATOM 1224 N LEU A 173 18.690 5.149 43.024 1.00 13.24 N +ATOM 1225 CA LEU A 173 17.618 4.255 42.606 1.00 13.45 C +ATOM 1226 C LEU A 173 18.151 3.380 41.483 1.00 13.69 C +ATOM 1227 O LEU A 173 18.923 3.843 40.589 1.00 11.86 O +ATOM 1228 CB LEU A 173 16.370 5.029 42.140 1.00 13.37 C +ATOM 1229 CG LEU A 173 15.612 5.797 43.237 1.00 12.42 C +ATOM 1230 CD1 LEU A 173 14.738 6.895 42.603 1.00 15.34 C +ATOM 1231 CD2 LEU A 173 14.769 4.774 43.970 1.00 10.51 C +ATOM 1232 N THR A 174 17.797 2.104 41.555 1.00 12.81 N +ATOM 1233 CA THR A 174 18.155 1.148 40.518 1.00 12.98 C +ATOM 1234 C THR A 174 16.898 0.496 39.927 1.00 12.61 C +ATOM 1235 O THR A 174 15.761 0.724 40.396 1.00 11.57 O +ATOM 1236 CB THR A 174 19.029 0.016 41.097 1.00 13.55 C +ATOM 1237 OG1 THR A 174 18.310 -0.623 42.175 1.00 11.47 O +ATOM 1238 CG2 THR A 174 20.279 0.579 41.742 1.00 13.62 C +ATOM 1239 N LEU A 175 17.104 -0.385 38.949 1.00 11.99 N +ATOM 1240 CA LEU A 175 15.983 -1.135 38.347 1.00 12.79 C +ATOM 1241 C LEU A 175 15.214 -1.892 39.409 1.00 12.41 C +ATOM 1242 O LEU A 175 13.975 -2.031 39.334 1.00 13.05 O +ATOM 1243 CB LEU A 175 16.470 -2.167 37.328 1.00 12.45 C +ATOM 1244 CG LEU A 175 17.179 -1.572 36.119 1.00 13.17 C +ATOM 1245 CD1 LEU A 175 17.710 -2.765 35.278 1.00 14.89 C +ATOM 1246 CD2 LEU A 175 16.245 -0.647 35.320 1.00 14.17 C +ATOM 1247 N ALA A 176 15.927 -2.372 40.412 1.00 11.17 N +ATOM 1248 CA ALA A 176 15.254 -3.120 41.468 1.00 11.83 C +ATOM 1249 C ALA A 176 14.192 -2.261 42.155 1.00 11.18 C +ATOM 1250 O ALA A 176 13.117 -2.756 42.447 1.00 11.10 O +ATOM 1251 CB ALA A 176 16.257 -3.651 42.502 1.00 11.84 C +ATOM 1252 N ASP A 177 14.513 -1.003 42.460 1.00 10.96 N +ATOM 1253 CA ASP A 177 13.533 -0.134 43.111 1.00 10.13 C +ATOM 1254 C ASP A 177 12.372 0.177 42.182 1.00 10.53 C +ATOM 1255 O ASP A 177 11.255 0.413 42.636 1.00 11.11 O +ATOM 1256 CB ASP A 177 14.134 1.174 43.559 1.00 8.98 C +ATOM 1257 CG ASP A 177 15.277 0.986 44.509 1.00 11.17 C +ATOM 1258 OD1 ASP A 177 16.390 1.327 44.037 1.00 10.34 O +ATOM 1259 OD2 ASP A 177 15.123 0.562 45.681 1.00 10.91 O +ATOM 1260 N CYS A 178 12.628 0.180 40.880 1.00 9.83 N +ATOM 1261 CA CYS A 178 11.551 0.543 39.956 1.00 10.76 C +ATOM 1262 C CYS A 178 10.480 -0.531 39.950 1.00 10.37 C +ATOM 1263 O CYS A 178 9.305 -0.243 39.638 1.00 8.69 O +ATOM 1264 CB CYS A 178 12.087 0.719 38.549 1.00 9.21 C +ATOM 1265 SG CYS A 178 13.237 2.123 38.398 1.00 12.05 S +ATOM 1266 N ASN A 179 10.889 -1.758 40.222 1.00 10.10 N +ATOM 1267 CA ASN A 179 9.932 -2.875 40.277 1.00 12.78 C +ATOM 1268 C ASN A 179 9.182 -2.880 41.619 1.00 12.33 C +ATOM 1269 O ASN A 179 7.970 -2.887 41.666 1.00 13.75 O +ATOM 1270 CB ASN A 179 10.636 -4.214 40.066 1.00 13.01 C +ATOM 1271 CG ASN A 179 9.642 -5.377 39.982 1.00 15.83 C +ATOM 1272 OD1 ASN A 179 8.566 -5.335 40.604 1.00 23.04 O +ATOM 1273 ND2 ASN A 179 9.997 -6.406 39.249 1.00 17.88 N +ATOM 1274 N LEU A 180 9.934 -2.785 42.701 1.00 12.41 N +ATOM 1275 CA LEU A 180 9.366 -2.916 44.047 1.00 11.42 C +ATOM 1276 C LEU A 180 8.575 -1.703 44.547 1.00 11.63 C +ATOM 1277 O LEU A 180 7.486 -1.857 45.139 1.00 11.03 O +ATOM 1278 CB LEU A 180 10.510 -3.262 45.031 1.00 12.32 C +ATOM 1279 CG LEU A 180 10.102 -3.447 46.484 1.00 12.86 C +ATOM 1280 CD1 LEU A 180 9.156 -4.654 46.596 1.00 14.18 C +ATOM 1281 CD2 LEU A 180 11.361 -3.667 47.318 1.00 10.94 C +ATOM 1282 N LEU A 181 9.066 -0.492 44.309 1.00 10.03 N +ATOM 1283 CA LEU A 181 8.374 0.672 44.873 1.00 10.61 C +ATOM 1284 C LEU A 181 6.907 0.835 44.442 1.00 10.50 C +ATOM 1285 O LEU A 181 6.031 0.970 45.302 1.00 11.18 O +ATOM 1286 CB LEU A 181 9.160 1.952 44.612 1.00 10.33 C +ATOM 1287 CG LEU A 181 10.415 2.051 45.503 1.00 12.39 C +ATOM 1288 CD1 LEU A 181 11.206 3.239 45.032 1.00 10.80 C +ATOM 1289 CD2 LEU A 181 9.959 2.264 46.946 1.00 15.81 C +ATOM 1290 N PRO A 182 6.623 0.735 43.156 1.00 10.91 N +ATOM 1291 CA PRO A 182 5.214 0.819 42.751 1.00 10.85 C +ATOM 1292 C PRO A 182 4.353 -0.242 43.461 1.00 12.19 C +ATOM 1293 O PRO A 182 3.184 0.062 43.832 1.00 11.67 O +ATOM 1294 CB PRO A 182 5.250 0.623 41.258 1.00 10.94 C +ATOM 1295 CG PRO A 182 6.657 1.165 40.870 1.00 11.28 C +ATOM 1296 CD PRO A 182 7.533 0.567 42.001 1.00 10.31 C +ATOM 1297 N LYS A 183 4.881 -1.447 43.669 1.00 10.76 N +ATOM 1298 CA LYS A 183 4.073 -2.482 44.336 1.00 12.65 C +ATOM 1299 C LYS A 183 3.843 -2.183 45.826 1.00 12.64 C +ATOM 1300 O LYS A 183 2.729 -2.320 46.357 1.00 11.92 O +ATOM 1301 CB LYS A 183 4.719 -3.858 44.142 1.00 12.34 C +ATOM 1302 CG LYS A 183 4.641 -4.370 42.710 1.00 13.13 C +ATOM 1303 CD LYS A 183 5.613 -5.528 42.476 1.00 15.84 C +ATOM 1304 CE LYS A 183 5.420 -6.098 41.068 1.00 14.49 C +ATOM 1305 NZ LYS A 183 6.499 -7.120 40.890 1.00 14.22 N +ATOM 1306 N LEU A 184 4.904 -1.804 46.525 1.00 12.00 N +ATOM 1307 CA LEU A 184 4.763 -1.461 47.930 1.00 13.44 C +ATOM 1308 C LEU A 184 3.812 -0.295 48.116 1.00 12.95 C +ATOM 1309 O LEU A 184 3.071 -0.207 49.121 1.00 12.06 O +ATOM 1310 CB LEU A 184 6.142 -1.066 48.494 1.00 14.61 C +ATOM 1311 CG LEU A 184 7.125 -2.208 48.704 1.00 16.92 C +ATOM 1312 CD1 LEU A 184 8.338 -1.662 49.462 1.00 16.25 C +ATOM 1313 CD2 LEU A 184 6.436 -3.291 49.516 1.00 19.72 C +ATOM 1314 N HIS A 185 3.842 0.637 47.163 1.00 12.62 N +ATOM 1315 CA HIS A 185 2.962 1.792 47.273 1.00 13.60 C +ATOM 1316 C HIS A 185 1.505 1.316 47.223 1.00 13.20 C +ATOM 1317 O HIS A 185 0.655 1.749 48.045 1.00 12.82 O +ATOM 1318 CB HIS A 185 3.213 2.803 46.152 1.00 13.96 C +ATOM 1319 CG HIS A 185 2.424 4.057 46.332 1.00 15.75 C +ATOM 1320 ND1 HIS A 185 1.473 4.472 45.428 1.00 16.54 N +ATOM 1321 CD2 HIS A 185 2.392 4.944 47.349 1.00 15.58 C +ATOM 1322 CE1 HIS A 185 0.899 5.576 45.874 1.00 19.33 C +ATOM 1323 NE2 HIS A 185 1.435 5.879 47.041 1.00 20.45 N +ATOM 1324 N ILE A 186 1.224 0.435 46.266 1.00 12.10 N +ATOM 1325 CA ILE A 186 -0.132 -0.142 46.156 1.00 12.50 C +ATOM 1326 C ILE A 186 -0.520 -0.884 47.433 1.00 11.92 C +ATOM 1327 O ILE A 186 -1.639 -0.726 47.938 1.00 12.30 O +ATOM 1328 CB ILE A 186 -0.245 -1.060 44.913 1.00 11.81 C +ATOM 1329 CG1 ILE A 186 -0.180 -0.220 43.627 1.00 10.17 C +ATOM 1330 CG2 ILE A 186 -1.531 -1.933 44.973 1.00 13.51 C +ATOM 1331 CD1 ILE A 186 0.220 -1.059 42.353 1.00 12.69 C +ATOM 1332 N VAL A 187 0.393 -1.683 47.967 1.00 11.44 N +ATOM 1333 CA VAL A 187 0.131 -2.418 49.224 1.00 11.37 C +ATOM 1334 C VAL A 187 -0.285 -1.439 50.326 1.00 12.15 C +ATOM 1335 O VAL A 187 -1.308 -1.623 51.020 1.00 11.55 O +ATOM 1336 CB VAL A 187 1.404 -3.216 49.657 1.00 11.82 C +ATOM 1337 CG1 VAL A 187 1.231 -3.829 51.040 1.00 10.23 C +ATOM 1338 CG2 VAL A 187 1.693 -4.308 48.645 1.00 10.84 C +ATOM 1339 N GLN A 188 0.497 -0.389 50.509 1.00 11.59 N +ATOM 1340 CA GLN A 188 0.160 0.652 51.470 1.00 12.97 C +ATOM 1341 C GLN A 188 -1.201 1.299 51.272 1.00 13.48 C +ATOM 1342 O GLN A 188 -2.065 1.321 52.194 1.00 13.76 O +ATOM 1343 CB GLN A 188 1.226 1.764 51.427 1.00 13.01 C +ATOM 1344 CG GLN A 188 2.195 1.660 52.552 1.00 20.11 C +ATOM 1345 CD GLN A 188 2.949 2.966 52.776 1.00 23.96 C +ATOM 1346 OE1 GLN A 188 3.333 3.630 51.817 1.00 22.38 O +ATOM 1347 NE2 GLN A 188 3.114 3.346 54.032 1.00 24.31 N +ATOM 1348 N VAL A 189 -1.425 1.831 50.074 1.00 12.81 N +ATOM 1349 CA VAL A 189 -2.670 2.526 49.803 1.00 12.54 C +ATOM 1350 C VAL A 189 -3.883 1.605 49.964 1.00 12.56 C +ATOM 1351 O VAL A 189 -4.862 1.982 50.616 1.00 11.90 O +ATOM 1352 CB VAL A 189 -2.669 3.170 48.407 1.00 12.81 C +ATOM 1353 CG1 VAL A 189 -4.060 3.765 48.094 1.00 13.58 C +ATOM 1354 CG2 VAL A 189 -1.522 4.226 48.293 1.00 13.46 C +ATOM 1355 N VAL A 190 -3.797 0.400 49.403 1.00 11.11 N +ATOM 1356 CA VAL A 190 -4.929 -0.520 49.443 1.00 11.80 C +ATOM 1357 C VAL A 190 -5.177 -1.072 50.835 1.00 11.92 C +ATOM 1358 O VAL A 190 -6.322 -1.090 51.295 1.00 10.60 O +ATOM 1359 CB VAL A 190 -4.794 -1.610 48.394 1.00 11.91 C +ATOM 1360 CG1 VAL A 190 -5.906 -2.645 48.526 1.00 12.68 C +ATOM 1361 CG2 VAL A 190 -4.765 -0.950 46.998 1.00 11.23 C +ATOM 1362 N CYS A 191 -4.109 -1.479 51.517 1.00 11.19 N +ATOM 1363 CA CYS A 191 -4.261 -2.020 52.872 1.00 12.19 C +ATOM 1364 C CYS A 191 -4.830 -0.992 53.852 1.00 12.66 C +ATOM 1365 O CYS A 191 -5.686 -1.334 54.683 1.00 12.39 O +ATOM 1366 CB CYS A 191 -2.922 -2.529 53.380 1.00 12.87 C +ATOM 1367 SG CYS A 191 -2.485 -4.111 52.664 1.00 12.40 S +ATOM 1368 N LYS A 192 -4.375 0.254 53.760 1.00 12.89 N +ATOM 1369 CA LYS A 192 -4.880 1.272 54.685 1.00 14.56 C +ATOM 1370 C LYS A 192 -6.379 1.512 54.458 1.00 13.99 C +ATOM 1371 O LYS A 192 -7.186 1.527 55.399 1.00 13.65 O +ATOM 1372 CB LYS A 192 -4.088 2.578 54.565 1.00 14.58 C +ATOM 1373 CG LYS A 192 -4.650 3.719 55.432 1.00 18.97 C +ATOM 1374 CD LYS A 192 -3.707 4.906 55.441 1.00 23.29 C +ATOM 1375 CE LYS A 192 -4.398 6.168 55.978 1.00 27.49 C +ATOM 1376 NZ LYS A 192 -3.564 7.359 55.571 1.00 30.26 N +ATOM 1377 N LYS A 193 -6.765 1.674 53.201 1.00 13.69 N +ATOM 1378 CA LYS A 193 -8.161 1.983 52.873 1.00 14.25 C +ATOM 1379 C LYS A 193 -9.142 0.851 53.193 1.00 13.89 C +ATOM 1380 O LYS A 193 -10.194 1.048 53.863 1.00 13.70 O +ATOM 1381 CB LYS A 193 -8.267 2.362 51.386 1.00 13.47 C +ATOM 1382 CG LYS A 193 -9.688 2.508 50.836 1.00 14.54 C +ATOM 1383 CD LYS A 193 -10.379 3.722 51.412 1.00 16.97 C +ATOM 1384 CE LYS A 193 -11.858 3.735 51.030 1.00 18.33 C +ATOM 1385 NZ LYS A 193 -12.602 4.721 51.843 1.00 21.26 N +ATOM 1386 N TYR A 194 -8.806 -0.350 52.743 1.00 13.43 N +ATOM 1387 CA TYR A 194 -9.746 -1.456 52.856 1.00 13.30 C +ATOM 1388 C TYR A 194 -9.658 -2.233 54.157 1.00 13.72 C +ATOM 1389 O TYR A 194 -10.621 -2.926 54.527 1.00 12.44 O +ATOM 1390 CB TYR A 194 -9.637 -2.417 51.651 1.00 13.15 C +ATOM 1391 CG TYR A 194 -10.115 -1.806 50.357 1.00 13.19 C +ATOM 1392 CD1 TYR A 194 -11.438 -1.923 49.955 1.00 14.28 C +ATOM 1393 CD2 TYR A 194 -9.239 -1.128 49.518 1.00 11.93 C +ATOM 1394 CE1 TYR A 194 -11.884 -1.366 48.779 1.00 13.52 C +ATOM 1395 CE2 TYR A 194 -9.673 -0.569 48.331 1.00 12.57 C +ATOM 1396 CZ TYR A 194 -10.997 -0.711 47.947 1.00 11.32 C +ATOM 1397 OH TYR A 194 -11.479 -0.157 46.770 1.00 9.08 O +ATOM 1398 N ARG A 195 -8.532 -2.147 54.856 1.00 13.21 N +ATOM 1399 CA ARG A 195 -8.387 -2.907 56.102 1.00 14.64 C +ATOM 1400 C ARG A 195 -7.912 -2.107 57.318 1.00 14.60 C +ATOM 1401 O ARG A 195 -7.794 -2.658 58.415 1.00 14.43 O +ATOM 1402 CB ARG A 195 -7.409 -4.063 55.894 1.00 14.95 C +ATOM 1403 CG ARG A 195 -7.901 -5.116 54.928 1.00 14.96 C +ATOM 1404 CD ARG A 195 -9.242 -5.741 55.333 1.00 15.89 C +ATOM 1405 NE ARG A 195 -9.759 -6.617 54.279 1.00 14.18 N +ATOM 1406 CZ ARG A 195 -9.193 -7.769 53.971 1.00 15.78 C +ATOM 1407 NH1 ARG A 195 -8.152 -8.176 54.676 1.00 12.70 N +ATOM 1408 NH2 ARG A 195 -9.686 -8.530 52.992 1.00 14.33 N +ATOM 1409 N GLY A 196 -7.615 -0.834 57.111 1.00 14.92 N +ATOM 1410 CA GLY A 196 -7.052 -0.001 58.161 1.00 15.28 C +ATOM 1411 C GLY A 196 -5.721 -0.562 58.619 1.00 15.30 C +ATOM 1412 O GLY A 196 -5.340 -0.410 59.785 1.00 15.50 O +ATOM 1413 N PHE A 197 -5.011 -1.223 57.700 1.00 13.71 N +ATOM 1414 CA PHE A 197 -3.759 -1.868 58.042 1.00 13.67 C +ATOM 1415 C PHE A 197 -2.632 -0.960 57.607 1.00 13.36 C +ATOM 1416 O PHE A 197 -2.676 -0.390 56.508 1.00 13.14 O +ATOM 1417 CB PHE A 197 -3.639 -3.220 57.334 1.00 13.75 C +ATOM 1418 CG PHE A 197 -2.227 -3.808 57.332 1.00 15.27 C +ATOM 1419 CD1 PHE A 197 -1.892 -4.809 58.217 1.00 18.19 C +ATOM 1420 CD2 PHE A 197 -1.266 -3.365 56.438 1.00 16.97 C +ATOM 1421 CE1 PHE A 197 -0.632 -5.366 58.225 1.00 19.65 C +ATOM 1422 CE2 PHE A 197 0.008 -3.908 56.449 1.00 16.99 C +ATOM 1423 CZ PHE A 197 0.314 -4.940 57.341 1.00 15.54 C +ATOM 1424 N THR A 198 -1.649 -0.805 58.476 1.00 13.49 N +ATOM 1425 CA THR A 198 -0.448 -0.031 58.108 1.00 14.20 C +ATOM 1426 C THR A 198 0.793 -0.825 58.362 1.00 13.23 C +ATOM 1427 O THR A 198 0.851 -1.673 59.236 1.00 11.96 O +ATOM 1428 CB THR A 198 -0.366 1.331 58.828 1.00 14.96 C +ATOM 1429 OG1 THR A 198 -0.860 1.221 60.164 1.00 16.46 O +ATOM 1430 CG2 THR A 198 -1.336 2.331 58.205 1.00 17.06 C +ATOM 1431 N ILE A 199 1.821 -0.543 57.578 1.00 12.40 N +ATOM 1432 CA ILE A 199 3.083 -1.217 57.803 1.00 13.27 C +ATOM 1433 C ILE A 199 3.567 -0.787 59.169 1.00 13.07 C +ATOM 1434 O ILE A 199 3.662 0.409 59.468 1.00 13.27 O +ATOM 1435 CB ILE A 199 4.065 -0.800 56.732 1.00 11.87 C +ATOM 1436 CG1 ILE A 199 3.568 -1.283 55.372 1.00 14.18 C +ATOM 1437 CG2 ILE A 199 5.402 -1.448 56.987 1.00 15.20 C +ATOM 1438 CD1 ILE A 199 4.437 -0.811 54.208 1.00 15.31 C +ATOM 1439 N PRO A 200 3.840 -1.751 60.022 1.00 14.09 N +ATOM 1440 CA PRO A 200 4.221 -1.436 61.403 1.00 15.15 C +ATOM 1441 C PRO A 200 5.331 -0.398 61.484 1.00 14.82 C +ATOM 1442 O PRO A 200 6.280 -0.428 60.714 1.00 13.84 O +ATOM 1443 CB PRO A 200 4.645 -2.795 61.957 1.00 15.19 C +ATOM 1444 CG PRO A 200 3.762 -3.742 61.232 1.00 16.08 C +ATOM 1445 CD PRO A 200 3.740 -3.206 59.793 1.00 15.28 C +ATOM 1446 N GLU A 201 5.204 0.541 62.411 1.00 14.26 N +ATOM 1447 CA GLU A 201 6.246 1.536 62.558 1.00 15.24 C +ATOM 1448 C GLU A 201 7.538 0.900 63.081 1.00 14.22 C +ATOM 1449 O GLU A 201 8.625 1.453 62.913 1.00 13.54 O +ATOM 1450 CB GLU A 201 5.774 2.683 63.436 1.00 15.51 C +ATOM 1451 CG GLU A 201 4.696 3.525 62.784 1.00 19.16 C +ATOM 1452 CD GLU A 201 5.213 4.341 61.625 1.00 23.14 C +ATOM 1453 OE1 GLU A 201 6.427 4.292 61.352 1.00 24.52 O +ATOM 1454 OE2 GLU A 201 4.395 5.021 60.965 1.00 26.19 O +ATOM 1455 N ALA A 202 7.410 -0.288 63.661 1.00 13.14 N +ATOM 1456 CA ALA A 202 8.562 -1.065 64.115 1.00 13.57 C +ATOM 1457 C ALA A 202 9.546 -1.371 62.984 1.00 13.61 C +ATOM 1458 O ALA A 202 10.751 -1.586 63.215 1.00 13.67 O +ATOM 1459 CB ALA A 202 8.080 -2.377 64.754 1.00 13.61 C +ATOM 1460 N PHE A 203 9.031 -1.426 61.761 1.00 13.43 N +ATOM 1461 CA PHE A 203 9.863 -1.724 60.596 1.00 12.77 C +ATOM 1462 C PHE A 203 10.509 -0.454 60.031 1.00 12.97 C +ATOM 1463 O PHE A 203 10.057 0.087 59.006 1.00 12.24 O +ATOM 1464 CB PHE A 203 9.068 -2.405 59.487 1.00 13.53 C +ATOM 1465 CG PHE A 203 8.463 -3.729 59.875 1.00 16.71 C +ATOM 1466 CD1 PHE A 203 9.059 -4.545 60.828 1.00 17.51 C +ATOM 1467 CD2 PHE A 203 7.269 -4.143 59.301 1.00 18.54 C +ATOM 1468 CE1 PHE A 203 8.468 -5.750 61.193 1.00 21.83 C +ATOM 1469 CE2 PHE A 203 6.697 -5.354 59.647 1.00 19.34 C +ATOM 1470 CZ PHE A 203 7.294 -6.154 60.608 1.00 18.42 C +ATOM 1471 N ARG A 204 11.610 -0.023 60.649 1.00 11.99 N +ATOM 1472 CA ARG A 204 12.289 1.218 60.273 1.00 12.16 C +ATOM 1473 C ARG A 204 12.964 1.201 58.941 1.00 12.05 C +ATOM 1474 O ARG A 204 13.050 2.238 58.278 1.00 12.09 O +ATOM 1475 CB ARG A 204 13.355 1.592 61.305 1.00 11.86 C +ATOM 1476 CG ARG A 204 12.859 1.543 62.704 1.00 13.98 C +ATOM 1477 CD ARG A 204 11.699 2.459 62.978 1.00 15.92 C +ATOM 1478 NE ARG A 204 11.903 3.760 62.363 1.00 16.41 N +ATOM 1479 CZ ARG A 204 10.934 4.472 61.822 1.00 21.09 C +ATOM 1480 NH1 ARG A 204 9.675 4.013 61.847 1.00 19.50 N +ATOM 1481 NH2 ARG A 204 11.224 5.637 61.255 1.00 20.60 N +ATOM 1482 N GLY A 205 13.491 0.047 58.558 1.00 11.72 N +ATOM 1483 CA GLY A 205 14.115 -0.064 57.253 1.00 11.47 C +ATOM 1484 C GLY A 205 13.067 0.190 56.169 1.00 11.56 C +ATOM 1485 O GLY A 205 13.309 0.933 55.212 1.00 10.76 O +ATOM 1486 N VAL A 206 11.913 -0.444 56.305 1.00 10.98 N +ATOM 1487 CA VAL A 206 10.858 -0.262 55.298 1.00 10.58 C +ATOM 1488 C VAL A 206 10.340 1.166 55.316 1.00 9.83 C +ATOM 1489 O VAL A 206 10.187 1.772 54.271 1.00 10.35 O +ATOM 1490 CB VAL A 206 9.683 -1.271 55.489 1.00 10.78 C +ATOM 1491 CG1 VAL A 206 8.591 -1.018 54.437 1.00 10.10 C +ATOM 1492 CG2 VAL A 206 10.197 -2.683 55.372 1.00 11.19 C +ATOM 1493 N HIS A 207 10.070 1.737 56.479 1.00 11.61 N +ATOM 1494 CA HIS A 207 9.551 3.111 56.503 1.00 12.91 C +ATOM 1495 C HIS A 207 10.552 4.161 55.977 1.00 13.23 C +ATOM 1496 O HIS A 207 10.162 5.115 55.323 1.00 14.22 O +ATOM 1497 CB HIS A 207 9.053 3.485 57.898 1.00 13.56 C +ATOM 1498 CG HIS A 207 7.671 2.994 58.174 1.00 15.62 C +ATOM 1499 ND1 HIS A 207 6.555 3.653 57.708 1.00 17.27 N +ATOM 1500 CD2 HIS A 207 7.219 1.902 58.840 1.00 14.78 C +ATOM 1501 CE1 HIS A 207 5.471 3.015 58.115 1.00 15.65 C +ATOM 1502 NE2 HIS A 207 5.847 1.940 58.783 1.00 15.90 N +ATOM 1503 N ARG A 208 11.836 3.969 56.231 1.00 13.54 N +ATOM 1504 CA ARG A 208 12.828 4.939 55.755 1.00 14.02 C +ATOM 1505 C ARG A 208 12.951 4.837 54.236 1.00 13.83 C +ATOM 1506 O ARG A 208 13.072 5.849 53.549 1.00 12.85 O +ATOM 1507 CB ARG A 208 14.175 4.654 56.403 1.00 15.18 C +ATOM 1508 CG ARG A 208 15.234 5.724 56.158 1.00 20.84 C +ATOM 1509 CD ARG A 208 16.506 5.524 57.018 1.00 26.09 C +ATOM 1510 NE ARG A 208 16.192 5.160 58.397 1.00 27.62 N +ATOM 1511 CZ ARG A 208 16.352 3.941 58.914 1.00 27.37 C +ATOM 1512 NH1 ARG A 208 16.831 2.954 58.166 1.00 29.37 N +ATOM 1513 NH2 ARG A 208 16.042 3.715 60.181 1.00 24.92 N +ATOM 1514 N TYR A 209 12.933 3.605 53.734 1.00 11.96 N +ATOM 1515 CA TYR A 209 12.937 3.355 52.294 1.00 12.64 C +ATOM 1516 C TYR A 209 11.767 4.063 51.638 1.00 12.92 C +ATOM 1517 O TYR A 209 11.941 4.802 50.684 1.00 11.81 O +ATOM 1518 CB TYR A 209 12.807 1.855 52.031 1.00 11.83 C +ATOM 1519 CG TYR A 209 12.830 1.395 50.588 1.00 12.01 C +ATOM 1520 CD1 TYR A 209 13.759 1.884 49.677 1.00 9.84 C +ATOM 1521 CD2 TYR A 209 11.930 0.439 50.147 1.00 11.98 C +ATOM 1522 CE1 TYR A 209 13.771 1.401 48.374 1.00 9.10 C +ATOM 1523 CE2 TYR A 209 11.953 -0.050 48.854 1.00 11.00 C +ATOM 1524 CZ TYR A 209 12.865 0.441 47.959 1.00 11.80 C +ATOM 1525 OH TYR A 209 12.865 -0.069 46.666 1.00 10.73 O +ATOM 1526 N LEU A 210 10.552 3.853 52.156 1.00 12.37 N +ATOM 1527 CA LEU A 210 9.393 4.503 51.576 1.00 12.21 C +ATOM 1528 C LEU A 210 9.476 6.031 51.705 1.00 13.09 C +ATOM 1529 O LEU A 210 9.066 6.742 50.790 1.00 12.99 O +ATOM 1530 CB LEU A 210 8.100 3.977 52.227 1.00 11.90 C +ATOM 1531 CG LEU A 210 7.806 2.516 51.914 1.00 10.34 C +ATOM 1532 CD1 LEU A 210 6.589 2.024 52.716 1.00 12.05 C +ATOM 1533 CD2 LEU A 210 7.627 2.299 50.418 1.00 15.04 C +ATOM 1534 N SER A 211 10.006 6.536 52.823 1.00 13.16 N +ATOM 1535 CA SER A 211 10.152 7.996 52.995 1.00 13.58 C +ATOM 1536 C SER A 211 11.166 8.562 51.990 1.00 13.25 C +ATOM 1537 O SER A 211 10.933 9.596 51.347 1.00 12.60 O +ATOM 1538 CB SER A 211 10.587 8.374 54.429 1.00 14.43 C +ATOM 1539 OG SER A 211 9.590 7.957 55.373 1.00 16.31 O +ATOM 1540 N ASN A 212 12.267 7.848 51.837 1.00 13.09 N +ATOM 1541 CA ASN A 212 13.326 8.273 50.905 1.00 13.47 C +ATOM 1542 C ASN A 212 12.813 8.244 49.464 1.00 12.58 C +ATOM 1543 O ASN A 212 13.123 9.127 48.675 1.00 12.27 O +ATOM 1544 CB ASN A 212 14.544 7.381 51.057 1.00 14.65 C +ATOM 1545 CG ASN A 212 15.277 7.619 52.377 1.00 18.24 C +ATOM 1546 OD1 ASN A 212 15.229 8.705 52.933 1.00 22.71 O +ATOM 1547 ND2 ASN A 212 15.964 6.604 52.866 1.00 21.82 N +ATOM 1548 N ALA A 213 12.021 7.228 49.138 1.00 11.44 N +ATOM 1549 CA ALA A 213 11.435 7.068 47.820 1.00 11.45 C +ATOM 1550 C ALA A 213 10.399 8.153 47.556 1.00 12.01 C +ATOM 1551 O ALA A 213 10.380 8.733 46.476 1.00 11.43 O +ATOM 1552 CB ALA A 213 10.828 5.647 47.649 1.00 12.88 C +ATOM 1553 N TYR A 214 9.555 8.454 48.544 1.00 12.38 N +ATOM 1554 CA TYR A 214 8.547 9.513 48.386 1.00 14.60 C +ATOM 1555 C TYR A 214 9.170 10.882 48.110 1.00 14.94 C +ATOM 1556 O TYR A 214 8.563 11.743 47.469 1.00 14.84 O +ATOM 1557 CB TYR A 214 7.690 9.655 49.652 1.00 15.26 C +ATOM 1558 CG TYR A 214 6.691 10.787 49.532 1.00 20.65 C +ATOM 1559 CD1 TYR A 214 6.797 11.928 50.327 1.00 25.70 C +ATOM 1560 CD2 TYR A 214 5.647 10.718 48.616 1.00 23.66 C +ATOM 1561 CE1 TYR A 214 5.884 12.978 50.213 1.00 27.60 C +ATOM 1562 CE2 TYR A 214 4.723 11.761 48.496 1.00 27.21 C +ATOM 1563 CZ TYR A 214 4.853 12.890 49.296 1.00 29.62 C +ATOM 1564 OH TYR A 214 3.941 13.933 49.190 1.00 29.70 O +ATOM 1565 N ALA A 215 10.390 11.083 48.600 1.00 15.02 N +ATOM 1566 CA ALA A 215 11.068 12.362 48.450 1.00 15.49 C +ATOM 1567 C ALA A 215 11.650 12.535 47.047 1.00 15.36 C +ATOM 1568 O ALA A 215 12.178 13.612 46.685 1.00 14.88 O +ATOM 1569 CB ALA A 215 12.164 12.499 49.506 1.00 16.55 C +ATOM 1570 N ARG A 216 11.594 11.458 46.269 1.00 13.86 N +ATOM 1571 CA ARG A 216 12.138 11.444 44.912 1.00 14.04 C +ATOM 1572 C ARG A 216 11.020 11.604 43.902 1.00 14.63 C +ATOM 1573 O ARG A 216 10.099 10.797 43.859 1.00 14.53 O +ATOM 1574 CB ARG A 216 12.916 10.161 44.632 1.00 12.87 C +ATOM 1575 CG ARG A 216 14.323 10.141 45.248 1.00 13.92 C +ATOM 1576 CD ARG A 216 15.304 11.163 44.673 1.00 13.28 C +ATOM 1577 NE ARG A 216 15.610 10.835 43.281 1.00 13.59 N +ATOM 1578 CZ ARG A 216 16.637 10.082 42.881 1.00 14.22 C +ATOM 1579 NH1 ARG A 216 17.511 9.583 43.762 1.00 13.74 N +ATOM 1580 NH2 ARG A 216 16.797 9.842 41.594 1.00 14.31 N +ATOM 1581 N GLU A 217 11.122 12.630 43.073 1.00 15.14 N +ATOM 1582 CA GLU A 217 10.084 12.883 42.075 1.00 17.43 C +ATOM 1583 C GLU A 217 9.829 11.684 41.180 1.00 15.94 C +ATOM 1584 O GLU A 217 8.710 11.450 40.778 1.00 15.81 O +ATOM 1585 CB GLU A 217 10.514 14.020 41.129 1.00 18.93 C +ATOM 1586 CG GLU A 217 10.725 15.400 41.686 1.00 22.88 C +ATOM 1587 CD GLU A 217 11.385 16.260 40.612 1.00 24.65 C +ATOM 1588 OE1 GLU A 217 12.609 16.138 40.396 1.00 29.51 O +ATOM 1589 OE2 GLU A 217 10.677 16.988 39.932 1.00 26.10 O +ATOM 1590 N GLU A 218 10.881 10.951 40.813 1.00 14.49 N +ATOM 1591 CA GLU A 218 10.723 9.820 39.912 1.00 13.95 C +ATOM 1592 C GLU A 218 9.709 8.791 40.421 1.00 13.13 C +ATOM 1593 O GLU A 218 9.043 8.119 39.634 1.00 12.84 O +ATOM 1594 CB GLU A 218 12.059 9.130 39.706 1.00 13.29 C +ATOM 1595 CG GLU A 218 13.128 10.035 39.090 1.00 14.03 C +ATOM 1596 CD GLU A 218 13.993 10.782 40.115 1.00 15.39 C +ATOM 1597 OE1 GLU A 218 13.548 11.055 41.242 1.00 14.63 O +ATOM 1598 OE2 GLU A 218 15.129 11.154 39.764 1.00 15.29 O +ATOM 1599 N PHE A 219 9.624 8.659 41.735 1.00 12.74 N +ATOM 1600 CA PHE A 219 8.646 7.744 42.318 1.00 12.89 C +ATOM 1601 C PHE A 219 7.324 8.486 42.614 1.00 13.09 C +ATOM 1602 O PHE A 219 6.255 8.060 42.185 1.00 11.47 O +ATOM 1603 CB PHE A 219 9.201 7.132 43.604 1.00 14.01 C +ATOM 1604 CG PHE A 219 8.166 6.374 44.417 1.00 10.35 C +ATOM 1605 CD1 PHE A 219 7.598 5.206 43.942 1.00 12.21 C +ATOM 1606 CD2 PHE A 219 7.762 6.867 45.659 1.00 15.59 C +ATOM 1607 CE1 PHE A 219 6.607 4.516 44.726 1.00 14.52 C +ATOM 1608 CE2 PHE A 219 6.781 6.203 46.424 1.00 18.69 C +ATOM 1609 CZ PHE A 219 6.225 5.024 45.949 1.00 18.72 C +ATOM 1610 N ALA A 220 7.416 9.581 43.348 1.00 12.73 N +ATOM 1611 CA ALA A 220 6.214 10.280 43.802 1.00 13.25 C +ATOM 1612 C ALA A 220 5.336 10.723 42.654 1.00 13.94 C +ATOM 1613 O ALA A 220 4.095 10.554 42.677 1.00 12.36 O +ATOM 1614 CB ALA A 220 6.573 11.439 44.673 1.00 13.01 C +ATOM 1615 N SER A 221 5.987 11.256 41.634 1.00 14.38 N +ATOM 1616 CA SER A 221 5.252 11.782 40.497 1.00 16.24 C +ATOM 1617 C SER A 221 4.686 10.728 39.560 1.00 16.36 C +ATOM 1618 O SER A 221 3.785 11.035 38.786 1.00 18.60 O +ATOM 1619 CB SER A 221 6.122 12.764 39.731 1.00 16.59 C +ATOM 1620 OG SER A 221 6.102 14.002 40.418 1.00 19.21 O +ATOM 1621 N THR A 222 5.165 9.492 39.651 1.00 13.85 N +ATOM 1622 CA THR A 222 4.661 8.447 38.774 1.00 14.67 C +ATOM 1623 C THR A 222 3.601 7.576 39.459 1.00 14.02 C +ATOM 1624 O THR A 222 3.103 6.632 38.859 1.00 14.65 O +ATOM 1625 CB THR A 222 5.812 7.558 38.229 1.00 14.41 C +ATOM 1626 OG1 THR A 222 6.601 7.022 39.308 1.00 13.46 O +ATOM 1627 CG2 THR A 222 6.775 8.413 37.428 1.00 16.89 C +ATOM 1628 N CYS A 223 3.270 7.888 40.706 1.00 13.28 N +ATOM 1629 CA CYS A 223 2.177 7.159 41.387 1.00 14.09 C +ATOM 1630 C CYS A 223 0.836 7.722 40.900 1.00 14.50 C +ATOM 1631 O CYS A 223 0.653 8.943 40.937 1.00 14.12 O +ATOM 1632 CB CYS A 223 2.231 7.416 42.899 1.00 13.49 C +ATOM 1633 SG CYS A 223 3.600 6.651 43.822 1.00 13.43 S +ATOM 1634 N PRO A 224 -0.098 6.751 40.483 1.00 15.30 N +ATOM 1635 CA PRO A 224 -1.456 7.233 40.234 1.00 17.04 C +ATOM 1636 C PRO A 224 -1.966 7.847 41.530 1.00 17.09 C +ATOM 1637 O PRO A 224 -1.421 7.532 42.596 1.00 18.30 O +ATOM 1638 CB PRO A 224 -2.151 6.009 39.633 1.00 16.26 C +ATOM 1639 CG PRO A 224 -1.439 4.843 40.234 1.00 18.04 C +ATOM 1640 CD PRO A 224 -0.038 5.309 40.513 1.00 15.00 C +ATOM 1641 N ASP A 225 -2.965 8.717 41.527 1.00 18.25 N +ATOM 1642 CA ASP A 225 -3.461 9.256 42.771 1.00 18.16 C +ATOM 1643 C ASP A 225 -4.126 8.134 43.584 1.00 18.19 C +ATOM 1644 O ASP A 225 -4.562 7.117 43.030 1.00 16.99 O +ATOM 1645 CB ASP A 225 -4.448 10.383 42.475 1.00 20.28 C +ATOM 1646 CG ASP A 225 -5.664 9.889 41.736 1.00 22.07 C +ATOM 1647 OD1 ASP A 225 -5.901 10.334 40.586 1.00 26.67 O +ATOM 1648 OD2 ASP A 225 -6.420 9.021 42.221 1.00 23.53 O +ATOM 1649 N ASP A 226 -4.172 8.319 44.890 1.00 17.93 N +ATOM 1650 CA ASP A 226 -4.724 7.314 45.799 1.00 19.14 C +ATOM 1651 C ASP A 226 -6.121 6.851 45.393 1.00 19.19 C +ATOM 1652 O ASP A 226 -6.470 5.680 45.573 1.00 19.53 O +ATOM 1653 CB ASP A 226 -4.833 7.878 47.210 1.00 19.08 C +ATOM 1654 CG ASP A 226 -3.533 7.879 47.963 1.00 20.13 C +ATOM 1655 OD1 ASP A 226 -2.464 7.661 47.351 1.00 20.85 O +ATOM 1656 OD2 ASP A 226 -3.491 8.073 49.199 1.00 21.47 O +ATOM 1657 N GLU A 227 -6.924 7.775 44.869 1.00 18.92 N +ATOM 1658 CA GLU A 227 -8.309 7.449 44.537 1.00 19.35 C +ATOM 1659 C GLU A 227 -8.362 6.449 43.403 1.00 18.14 C +ATOM 1660 O GLU A 227 -9.174 5.515 43.423 1.00 17.76 O +ATOM 1661 CB GLU A 227 -9.119 8.723 44.224 1.00 20.39 C +ATOM 1662 CG GLU A 227 -9.380 9.044 42.754 1.00 24.83 C +ATOM 1663 CD GLU A 227 -10.203 10.323 42.566 1.00 30.52 C +ATOM 1664 OE1 GLU A 227 -11.448 10.271 42.706 1.00 30.96 O +ATOM 1665 OE2 GLU A 227 -9.603 11.391 42.276 1.00 33.15 O +ATOM 1666 N GLU A 228 -7.500 6.656 42.413 1.00 16.70 N +ATOM 1667 CA GLU A 228 -7.387 5.740 41.298 1.00 16.24 C +ATOM 1668 C GLU A 228 -6.969 4.374 41.803 1.00 16.01 C +ATOM 1669 O GLU A 228 -7.501 3.376 41.337 1.00 16.07 O +ATOM 1670 CB GLU A 228 -6.333 6.205 40.306 1.00 15.70 C +ATOM 1671 CG GLU A 228 -6.806 6.973 39.103 1.00 17.23 C +ATOM 1672 CD GLU A 228 -8.198 6.558 38.647 1.00 16.41 C +ATOM 1673 OE1 GLU A 228 -9.128 7.300 38.958 1.00 19.28 O +ATOM 1674 OE2 GLU A 228 -8.336 5.504 37.985 1.00 15.86 O +ATOM 1675 N ILE A 229 -5.967 4.321 42.698 1.00 14.85 N +ATOM 1676 CA ILE A 229 -5.502 3.034 43.214 1.00 15.16 C +ATOM 1677 C ILE A 229 -6.611 2.292 43.991 1.00 14.36 C +ATOM 1678 O ILE A 229 -6.878 1.124 43.768 1.00 16.00 O +ATOM 1679 CB ILE A 229 -4.246 3.196 44.075 1.00 14.99 C +ATOM 1680 CG1 ILE A 229 -3.125 3.812 43.228 1.00 16.35 C +ATOM 1681 CG2 ILE A 229 -3.768 1.824 44.605 1.00 14.58 C +ATOM 1682 CD1 ILE A 229 -1.816 3.997 43.975 1.00 19.60 C +ATOM 1683 N GLU A 230 -7.237 2.973 44.920 1.00 14.26 N +ATOM 1684 CA GLU A 230 -8.386 2.374 45.616 1.00 13.81 C +ATOM 1685 C GLU A 230 -9.468 1.853 44.685 1.00 12.96 C +ATOM 1686 O GLU A 230 -9.958 0.730 44.856 1.00 10.66 O +ATOM 1687 CB GLU A 230 -8.956 3.383 46.588 1.00 14.40 C +ATOM 1688 CG GLU A 230 -7.911 3.766 47.628 1.00 15.11 C +ATOM 1689 CD GLU A 230 -8.259 5.046 48.340 1.00 18.64 C +ATOM 1690 OE1 GLU A 230 -9.314 5.673 48.017 1.00 17.03 O +ATOM 1691 OE2 GLU A 230 -7.490 5.419 49.241 1.00 15.34 O +ATOM 1692 N LEU A 231 -9.829 2.652 43.686 1.00 13.45 N +ATOM 1693 CA LEU A 231 -10.947 2.324 42.800 1.00 13.69 C +ATOM 1694 C LEU A 231 -10.550 1.133 41.964 1.00 12.96 C +ATOM 1695 O LEU A 231 -11.362 0.291 41.653 1.00 11.28 O +ATOM 1696 CB LEU A 231 -11.266 3.532 41.925 1.00 15.03 C +ATOM 1697 CG LEU A 231 -12.472 3.547 40.993 1.00 18.48 C +ATOM 1698 CD1 LEU A 231 -12.703 4.982 40.502 1.00 20.38 C +ATOM 1699 CD2 LEU A 231 -12.232 2.600 39.827 1.00 21.66 C +ATOM 1700 N ALA A 232 -9.268 1.064 41.605 1.00 11.33 N +ATOM 1701 CA ALA A 232 -8.740 -0.080 40.876 1.00 11.96 C +ATOM 1702 C ALA A 232 -8.923 -1.397 41.646 1.00 11.45 C +ATOM 1703 O ALA A 232 -8.984 -2.495 41.054 1.00 11.75 O +ATOM 1704 CB ALA A 232 -7.234 0.154 40.572 1.00 11.63 C +ATOM 1705 N TYR A 233 -9.001 -1.292 42.968 1.00 10.96 N +ATOM 1706 CA TYR A 233 -9.151 -2.478 43.822 1.00 11.07 C +ATOM 1707 C TYR A 233 -10.575 -2.728 44.333 1.00 11.18 C +ATOM 1708 O TYR A 233 -10.851 -3.692 45.064 1.00 11.02 O +ATOM 1709 CB TYR A 233 -8.177 -2.388 44.981 1.00 10.77 C +ATOM 1710 CG TYR A 233 -6.862 -3.022 44.586 1.00 12.38 C +ATOM 1711 CD1 TYR A 233 -6.597 -4.342 44.907 1.00 12.17 C +ATOM 1712 CD2 TYR A 233 -5.918 -2.316 43.842 1.00 12.01 C +ATOM 1713 CE1 TYR A 233 -5.422 -4.947 44.549 1.00 11.66 C +ATOM 1714 CE2 TYR A 233 -4.681 -2.936 43.471 1.00 12.79 C +ATOM 1715 CZ TYR A 233 -4.481 -4.245 43.820 1.00 13.42 C +ATOM 1716 OH TYR A 233 -3.334 -4.883 43.472 1.00 15.38 O +ATOM 1717 N GLU A 234 -11.488 -1.872 43.923 1.00 11.96 N +ATOM 1718 CA GLU A 234 -12.875 -1.993 44.391 1.00 12.28 C +ATOM 1719 C GLU A 234 -13.520 -3.365 44.204 1.00 13.23 C +ATOM 1720 O GLU A 234 -14.344 -3.815 45.035 1.00 13.21 O +ATOM 1721 CB GLU A 234 -13.699 -0.949 43.672 1.00 13.15 C +ATOM 1722 CG GLU A 234 -15.111 -0.980 44.106 1.00 11.78 C +ATOM 1723 CD GLU A 234 -15.872 0.152 43.490 1.00 12.83 C +ATOM 1724 OE1 GLU A 234 -15.958 0.177 42.244 1.00 9.56 O +ATOM 1725 OE2 GLU A 234 -16.326 1.009 44.267 1.00 12.71 O +ATOM 1726 N GLN A 235 -13.189 -4.028 43.103 1.00 14.09 N +ATOM 1727 CA GLN A 235 -13.741 -5.351 42.845 1.00 15.07 C +ATOM 1728 C GLN A 235 -12.730 -6.459 43.038 1.00 15.07 C +ATOM 1729 O GLN A 235 -12.873 -7.536 42.475 1.00 16.04 O +ATOM 1730 CB GLN A 235 -14.368 -5.420 41.447 1.00 16.22 C +ATOM 1731 CG GLN A 235 -15.427 -4.366 41.223 1.00 18.24 C +ATOM 1732 CD GLN A 235 -16.225 -4.567 39.942 1.00 21.49 C +ATOM 1733 OE1 GLN A 235 -17.149 -5.391 39.895 1.00 22.79 O +ATOM 1734 NE2 GLN A 235 -15.895 -3.791 38.911 1.00 23.26 N +ATOM 1735 N VAL A 236 -11.705 -6.185 43.844 1.00 13.58 N +ATOM 1736 CA VAL A 236 -10.670 -7.146 44.167 1.00 13.74 C +ATOM 1737 C VAL A 236 -10.609 -7.287 45.668 1.00 12.83 C +ATOM 1738 O VAL A 236 -10.641 -8.385 46.195 1.00 12.55 O +ATOM 1739 CB VAL A 236 -9.292 -6.586 43.743 1.00 13.95 C +ATOM 1740 CG1 VAL A 236 -8.174 -7.560 44.076 1.00 13.99 C +ATOM 1741 CG2 VAL A 236 -9.312 -6.208 42.260 1.00 17.18 C +ATOM 1742 N ALA A 237 -10.498 -6.146 46.339 1.00 11.47 N +ATOM 1743 CA ALA A 237 -10.375 -6.056 47.781 1.00 11.65 C +ATOM 1744 C ALA A 237 -11.695 -6.364 48.449 1.00 12.21 C +ATOM 1745 O ALA A 237 -12.726 -5.980 47.936 1.00 12.01 O +ATOM 1746 CB ALA A 237 -9.912 -4.637 48.175 1.00 12.06 C +ATOM 1747 N LYS A 238 -11.647 -7.111 49.547 1.00 12.48 N +ATOM 1748 CA LYS A 238 -12.863 -7.479 50.306 1.00 13.67 C +ATOM 1749 C LYS A 238 -12.741 -6.996 51.741 1.00 13.74 C +ATOM 1750 O LYS A 238 -11.658 -6.956 52.298 1.00 14.36 O +ATOM 1751 CB LYS A 238 -13.021 -8.997 50.351 1.00 14.33 C +ATOM 1752 CG LYS A 238 -13.277 -9.689 49.009 1.00 14.93 C +ATOM 1753 CD LYS A 238 -14.498 -9.135 48.297 1.00 19.40 C +ATOM 1754 CE LYS A 238 -14.416 -9.428 46.799 1.00 21.79 C +ATOM 1755 NZ LYS A 238 -14.681 -10.864 46.511 1.00 23.18 N +ATOM 1756 N ALA A 239 -13.860 -6.616 52.348 1.00 16.05 N +ATOM 1757 CA ALA A 239 -13.831 -6.331 53.765 1.00 15.80 C +ATOM 1758 C ALA A 239 -13.957 -7.707 54.426 1.00 15.46 C +ATOM 1759 O ALA A 239 -14.600 -8.612 53.876 1.00 13.43 O +ATOM 1760 CB ALA A 239 -15.032 -5.453 54.153 1.00 16.21 C +ATOM 1761 N LEU A 240 -13.329 -7.876 55.583 1.00 15.64 N +ATOM 1762 CA LEU A 240 -13.530 -9.115 56.330 1.00 16.37 C +ATOM 1763 C LEU A 240 -14.933 -9.048 56.839 1.00 16.99 C +ATOM 1764 O LEU A 240 -15.328 -8.013 57.372 1.00 16.66 O +ATOM 1765 CB LEU A 240 -12.594 -9.185 57.529 1.00 16.36 C +ATOM 1766 CG LEU A 240 -11.104 -9.302 57.317 1.00 16.32 C +ATOM 1767 CD1 LEU A 240 -10.403 -9.272 58.666 1.00 14.92 C +ATOM 1768 CD2 LEU A 240 -10.767 -10.588 56.534 1.00 13.56 C +ATOM 1769 N LYS A 241 -15.689 -10.129 56.654 1.00 16.10 N +ATOM 1770 CA LYS A 241 -17.044 -10.208 57.138 1.00 17.95 C +ATOM 1771 C LYS A 241 -16.981 -10.369 58.651 1.00 18.06 C +ATOM 1772 O LYS A 241 -15.998 -10.921 59.165 1.00 17.30 O +ATOM 1773 CB LYS A 241 -17.772 -11.390 56.489 1.00 17.01 C +ATOM 1774 CG LYS A 241 -19.299 -11.395 56.691 1.00 19.02 C +ATOM 1775 CD LYS A 241 -19.938 -12.653 56.105 1.00 20.12 C +ATOM 1776 CE LYS A 241 -21.425 -12.751 56.471 1.00 21.55 C +ATOM 1777 NZ LYS A 241 -22.273 -11.713 55.809 1.00 21.00 N +ATOM 1778 OXT LYS A 241 -17.910 -9.927 59.342 1.00 19.03 O +TER 1779 LYS A 241 +END diff --git a/bench/main_benchmark/structures/SFB_FS_DLC8_2PG1A_1F3CA/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_DLC8_2PG1A_1F3CA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2413ed1a782e3bcb594a06d7b175988663ee79f0 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_DLC8_2PG1A_1F3CA/state_a.pdb @@ -0,0 +1,695 @@ +ATOM 1 N LYS A 5 -39.215 -42.973 9.152 1.00 95.99 N +ATOM 2 CA LYS A 5 -38.901 -42.527 7.757 1.00 96.57 C +ATOM 3 C LYS A 5 -38.744 -41.004 7.657 1.00 96.03 C +ATOM 4 O LYS A 5 -39.663 -40.254 8.006 1.00 96.48 O +ATOM 5 CB LYS A 5 -39.999 -43.002 6.797 1.00 76.96 C +ATOM 6 N ALA A 6 -37.582 -40.559 7.174 1.00 84.51 N +ATOM 7 CA ALA A 6 -37.293 -39.133 7.025 1.00 82.15 C +ATOM 8 C ALA A 6 -37.538 -38.673 5.594 1.00 80.37 C +ATOM 9 O ALA A 6 -37.134 -39.333 4.645 1.00 80.68 O +ATOM 10 CB ALA A 6 -35.849 -38.847 7.423 1.00 56.71 C +ATOM 11 N VAL A 7 -38.198 -37.537 5.437 1.00 62.59 N +ATOM 12 CA VAL A 7 -38.476 -37.030 4.109 1.00 60.75 C +ATOM 13 C VAL A 7 -38.044 -35.575 3.992 1.00 60.25 C +ATOM 14 O VAL A 7 -38.698 -34.682 4.530 1.00 60.49 O +ATOM 15 CB VAL A 7 -39.972 -37.131 3.791 1.00 42.18 C +ATOM 16 CG1 VAL A 7 -40.228 -36.716 2.352 1.00 40.85 C +ATOM 17 CG2 VAL A 7 -40.458 -38.543 4.052 1.00 41.01 C +ATOM 18 N ILE A 8 -36.942 -35.341 3.285 1.00 65.42 N +ATOM 19 CA ILE A 8 -36.428 -33.990 3.098 1.00 63.91 C +ATOM 20 C ILE A 8 -37.241 -33.281 2.021 1.00 63.02 C +ATOM 21 O ILE A 8 -36.987 -33.455 0.834 1.00 63.53 O +ATOM 22 CB ILE A 8 -34.953 -34.023 2.667 1.00 50.42 C +ATOM 23 CG1 ILE A 8 -34.194 -35.044 3.514 1.00 50.90 C +ATOM 24 CG2 ILE A 8 -34.331 -32.650 2.817 1.00 48.77 C +ATOM 25 CD1 ILE A 8 -34.355 -34.863 5.004 1.00 51.14 C +ATOM 26 N LYS A 9 -38.221 -32.486 2.435 1.00 57.73 N +ATOM 27 CA LYS A 9 -39.067 -31.775 1.487 1.00 57.38 C +ATOM 28 C LYS A 9 -38.329 -30.644 0.781 1.00 56.65 C +ATOM 29 O LYS A 9 -38.263 -30.613 -0.447 1.00 56.41 O +ATOM 30 CB LYS A 9 -40.312 -31.225 2.196 1.00 64.81 C +ATOM 31 CG LYS A 9 -41.177 -30.283 1.351 1.00 65.26 C +ATOM 32 CD LYS A 9 -41.931 -31.005 0.236 1.00 64.26 C +ATOM 33 CE LYS A 9 -42.771 -30.021 -0.592 1.00 64.47 C +ATOM 34 NZ LYS A 9 -43.649 -30.680 -1.608 1.00 62.23 N +ATOM 35 N ASN A 10 -37.782 -29.711 1.553 1.00 65.92 N +ATOM 36 CA ASN A 10 -37.061 -28.577 0.984 1.00 65.38 C +ATOM 37 C ASN A 10 -35.812 -28.322 1.800 1.00 64.86 C +ATOM 38 O ASN A 10 -35.900 -27.955 2.968 1.00 65.79 O +ATOM 39 CB ASN A 10 -37.928 -27.322 1.009 1.00 57.19 C +ATOM 40 CG ASN A 10 -37.317 -26.193 0.226 1.00 58.78 C +ATOM 41 OD1 ASN A 10 -36.147 -26.264 -0.170 1.00 60.00 O +ATOM 42 ND2 ASN A 10 -38.096 -25.135 -0.003 1.00 58.38 N +ATOM 43 N ALA A 11 -34.646 -28.497 1.195 1.00 54.19 N +ATOM 44 CA ALA A 11 -33.421 -28.289 1.944 1.00 53.61 C +ATOM 45 C ALA A 11 -32.381 -27.455 1.220 1.00 53.30 C +ATOM 46 O ALA A 11 -32.365 -27.379 -0.002 1.00 53.51 O +ATOM 47 CB ALA A 11 -32.824 -29.634 2.342 1.00 46.23 C +ATOM 48 N ASP A 12 -31.506 -26.834 1.999 1.00 52.44 N +ATOM 49 CA ASP A 12 -30.440 -26.008 1.467 1.00 52.49 C +ATOM 50 C ASP A 12 -29.308 -26.014 2.475 1.00 52.40 C +ATOM 51 O ASP A 12 -29.072 -25.028 3.160 1.00 52.61 O +ATOM 52 CB ASP A 12 -30.938 -24.580 1.230 1.00 52.65 C +ATOM 53 CG ASP A 12 -29.812 -23.612 0.915 1.00 52.23 C +ATOM 54 OD1 ASP A 12 -28.834 -24.023 0.255 1.00 50.83 O +ATOM 55 OD2 ASP A 12 -29.909 -22.434 1.321 1.00 52.75 O +ATOM 56 N MET A 13 -28.625 -27.145 2.583 1.00 47.19 N +ATOM 57 CA MET A 13 -27.517 -27.255 3.514 1.00 48.83 C +ATOM 58 C MET A 13 -26.657 -28.486 3.267 1.00 50.01 C +ATOM 59 O MET A 13 -27.082 -29.452 2.625 1.00 49.92 O +ATOM 60 CB MET A 13 -28.010 -27.258 4.976 1.00 58.03 C +ATOM 61 CG MET A 13 -28.801 -28.489 5.422 1.00 56.10 C +ATOM 62 SD MET A 13 -28.975 -28.589 7.212 1.00 53.18 S +ATOM 63 CE MET A 13 -29.775 -27.116 7.511 1.00 54.58 C +ATOM 64 N SER A 14 -25.436 -28.424 3.790 1.00 59.51 N +ATOM 65 CA SER A 14 -24.466 -29.498 3.665 1.00 59.28 C +ATOM 66 C SER A 14 -25.163 -30.840 3.763 1.00 60.83 C +ATOM 67 O SER A 14 -26.054 -31.025 4.590 1.00 60.71 O +ATOM 68 CB SER A 14 -23.420 -29.376 4.774 1.00 69.76 C +ATOM 69 OG SER A 14 -22.522 -30.465 4.752 1.00 69.36 O +ATOM 70 N GLU A 15 -24.776 -31.771 2.904 1.00 65.13 N +ATOM 71 CA GLU A 15 -25.375 -33.090 2.950 1.00 67.58 C +ATOM 72 C GLU A 15 -25.114 -33.637 4.340 1.00 67.56 C +ATOM 73 O GLU A 15 -25.970 -34.292 4.924 1.00 67.07 O +ATOM 74 CB GLU A 15 -24.750 -34.000 1.890 1.00117.19 C +ATOM 75 CG GLU A 15 -25.361 -33.838 0.499 1.00120.99 C +ATOM 76 CD GLU A 15 -26.658 -34.631 0.329 1.00123.89 C +ATOM 77 OE1 GLU A 15 -27.559 -34.524 1.197 1.00124.04 O +ATOM 78 OE2 GLU A 15 -26.775 -35.364 -0.681 1.00125.28 O +ATOM 79 N GLU A 16 -23.930 -33.350 4.872 1.00 53.93 N +ATOM 80 CA GLU A 16 -23.571 -33.813 6.202 1.00 54.44 C +ATOM 81 C GLU A 16 -24.443 -33.137 7.241 1.00 53.95 C +ATOM 82 O GLU A 16 -24.922 -33.769 8.179 1.00 53.99 O +ATOM 83 CB GLU A 16 -22.119 -33.486 6.524 1.00 95.79 C +ATOM 84 CG GLU A 16 -21.800 -33.778 7.984 1.00100.28 C +ATOM 85 CD GLU A 16 -20.728 -32.874 8.565 1.00102.95 C +ATOM 86 OE1 GLU A 16 -20.769 -31.651 8.294 1.00104.68 O +ATOM 87 OE2 GLU A 16 -19.856 -33.384 9.307 1.00103.41 O +ATOM 88 N MET A 17 -24.630 -31.835 7.068 1.00 53.32 N +ATOM 89 CA MET A 17 -25.423 -31.051 7.996 1.00 52.29 C +ATOM 90 C MET A 17 -26.888 -31.496 7.965 1.00 51.26 C +ATOM 91 O MET A 17 -27.576 -31.422 8.975 1.00 51.09 O +ATOM 92 CB MET A 17 -25.287 -29.554 7.665 1.00 75.30 C +ATOM 93 CG MET A 17 -25.651 -28.620 8.821 1.00 74.21 C +ATOM 94 SD MET A 17 -25.516 -26.886 8.417 1.00 71.83 S +ATOM 95 CE MET A 17 -23.828 -26.683 8.663 1.00 70.61 C +ATOM 96 N GLN A 18 -27.362 -31.962 6.813 1.00 43.19 N +ATOM 97 CA GLN A 18 -28.739 -32.428 6.708 1.00 41.80 C +ATOM 98 C GLN A 18 -28.908 -33.667 7.566 1.00 41.44 C +ATOM 99 O GLN A 18 -29.840 -33.769 8.349 1.00 41.07 O +ATOM 100 CB GLN A 18 -29.085 -32.773 5.268 1.00 49.83 C +ATOM 101 CG GLN A 18 -29.086 -31.589 4.356 1.00 50.78 C +ATOM 102 CD GLN A 18 -29.813 -31.866 3.063 1.00 51.60 C +ATOM 103 OE1 GLN A 18 -30.918 -32.410 3.066 1.00 52.69 O +ATOM 104 NE2 GLN A 18 -29.203 -31.484 1.944 1.00 51.88 N +ATOM 105 N GLN A 19 -27.996 -34.615 7.405 1.00 49.13 N +ATOM 106 CA GLN A 19 -28.037 -35.848 8.169 1.00 49.60 C +ATOM 107 C GLN A 19 -28.035 -35.480 9.638 1.00 49.65 C +ATOM 108 O GLN A 19 -28.855 -35.957 10.417 1.00 50.74 O +ATOM 109 CB GLN A 19 -26.807 -36.703 7.853 1.00 91.64 C +ATOM 110 CG GLN A 19 -26.846 -38.111 8.451 1.00 92.80 C +ATOM 111 CD GLN A 19 -28.041 -38.916 7.955 1.00 93.53 C +ATOM 112 OE1 GLN A 19 -28.313 -38.964 6.748 1.00 94.15 O +ATOM 113 NE2 GLN A 19 -28.759 -39.556 8.883 1.00 92.63 N +ATOM 114 N ASP A 20 -27.096 -34.619 9.997 1.00 50.15 N +ATOM 115 CA ASP A 20 -26.940 -34.145 11.359 1.00 48.94 C +ATOM 116 C ASP A 20 -28.284 -33.651 11.884 1.00 47.31 C +ATOM 117 O ASP A 20 -28.643 -33.883 13.038 1.00 45.89 O +ATOM 118 CB ASP A 20 -25.922 -33.009 11.364 1.00 97.64 C +ATOM 119 CG ASP A 20 -25.224 -32.863 12.691 1.00100.88 C +ATOM 120 OD1 ASP A 20 -24.571 -33.841 13.125 1.00102.99 O +ATOM 121 OD2 ASP A 20 -25.326 -31.773 13.299 1.00103.14 O +ATOM 122 N ALA A 21 -29.021 -32.969 11.017 1.00 43.15 N +ATOM 123 CA ALA A 21 -30.324 -32.438 11.367 1.00 42.23 C +ATOM 124 C ALA A 21 -31.281 -33.578 11.684 1.00 42.70 C +ATOM 125 O ALA A 21 -31.818 -33.640 12.784 1.00 43.15 O +ATOM 126 CB ALA A 21 -30.867 -31.585 10.222 1.00 38.87 C +ATOM 127 N VAL A 22 -31.479 -34.482 10.726 1.00 50.42 N +ATOM 128 CA VAL A 22 -32.377 -35.625 10.905 1.00 51.48 C +ATOM 129 C VAL A 22 -32.064 -36.440 12.168 1.00 51.45 C +ATOM 130 O VAL A 22 -32.970 -36.828 12.902 1.00 51.24 O +ATOM 131 CB VAL A 22 -32.338 -36.563 9.676 1.00 51.22 C +ATOM 132 CG1 VAL A 22 -33.340 -37.697 9.847 1.00 52.14 C +ATOM 133 CG2 VAL A 22 -32.660 -35.777 8.421 1.00 50.64 C +ATOM 134 N ASP A 23 -30.786 -36.704 12.416 1.00 49.47 N +ATOM 135 CA ASP A 23 -30.381 -37.452 13.600 1.00 50.13 C +ATOM 136 C ASP A 23 -30.929 -36.747 14.834 1.00 51.22 C +ATOM 137 O ASP A 23 -31.752 -37.293 15.568 1.00 51.50 O +ATOM 138 CB ASP A 23 -28.850 -37.515 13.705 1.00 75.00 C +ATOM 139 CG ASP A 23 -28.226 -38.593 12.809 1.00 76.54 C +ATOM 140 OD1 ASP A 23 -28.480 -38.605 11.578 1.00 76.30 O +ATOM 141 OD2 ASP A 23 -27.461 -39.427 13.350 1.00 76.92 O +ATOM 142 N CYS A 24 -30.458 -35.524 15.051 1.00 59.82 N +ATOM 143 CA CYS A 24 -30.865 -34.716 16.195 1.00 58.71 C +ATOM 144 C CYS A 24 -32.377 -34.673 16.377 1.00 57.69 C +ATOM 145 O CYS A 24 -32.873 -34.717 17.499 1.00 57.59 O +ATOM 146 CB CYS A 24 -30.324 -33.289 16.050 1.00 84.55 C +ATOM 147 SG CYS A 24 -30.724 -32.231 17.439 1.00 85.81 S +ATOM 148 N ALA A 25 -33.106 -34.583 15.269 1.00 46.90 N +ATOM 149 CA ALA A 25 -34.560 -34.535 15.316 1.00 46.97 C +ATOM 150 C ALA A 25 -35.114 -35.836 15.893 1.00 48.02 C +ATOM 151 O ALA A 25 -35.955 -35.824 16.794 1.00 47.34 O +ATOM 152 CB ALA A 25 -35.113 -34.300 13.924 1.00 19.05 C +ATOM 153 N THR A 26 -34.630 -36.958 15.368 1.00 66.85 N +ATOM 154 CA THR A 26 -35.070 -38.263 15.831 1.00 66.62 C +ATOM 155 C THR A 26 -34.876 -38.340 17.336 1.00 67.60 C +ATOM 156 O THR A 26 -35.828 -38.602 18.068 1.00 68.68 O +ATOM 157 CB THR A 26 -34.287 -39.410 15.123 1.00 64.37 C +ATOM 158 OG1 THR A 26 -34.528 -39.347 13.712 1.00 61.99 O +ATOM 159 CG2 THR A 26 -34.747 -40.776 15.625 1.00 65.77 C +ATOM 160 N GLN A 27 -33.657 -38.093 17.805 1.00 50.37 N +ATOM 161 CA GLN A 27 -33.398 -38.147 19.234 1.00 52.20 C +ATOM 162 C GLN A 27 -34.333 -37.258 20.023 1.00 52.88 C +ATOM 163 O GLN A 27 -34.824 -37.642 21.083 1.00 53.42 O +ATOM 164 CB GLN A 27 -31.958 -37.763 19.544 1.00 96.01 C +ATOM 165 CG GLN A 27 -31.024 -38.958 19.507 1.00 98.96 C +ATOM 166 CD GLN A 27 -29.645 -38.648 20.064 1.00100.71 C +ATOM 167 OE1 GLN A 27 -28.929 -37.786 19.540 1.00103.12 O +ATOM 168 NE2 GLN A 27 -29.263 -39.353 21.132 1.00100.97 N +ATOM 169 N ALA A 28 -34.580 -36.064 19.504 1.00 69.00 N +ATOM 170 CA ALA A 28 -35.461 -35.125 20.176 1.00 68.58 C +ATOM 171 C ALA A 28 -36.834 -35.755 20.355 1.00 68.09 C +ATOM 172 O ALA A 28 -37.392 -35.747 21.453 1.00 68.20 O +ATOM 173 CB ALA A 28 -35.571 -33.845 19.362 1.00 74.98 C +ATOM 174 N LEU A 29 -37.362 -36.306 19.266 1.00 58.77 N +ATOM 175 CA LEU A 29 -38.670 -36.942 19.265 1.00 58.23 C +ATOM 176 C LEU A 29 -38.836 -38.085 20.255 1.00 59.33 C +ATOM 177 O LEU A 29 -39.959 -38.415 20.637 1.00 59.87 O +ATOM 178 CB LEU A 29 -39.008 -37.434 17.859 1.00 37.28 C +ATOM 179 CG LEU A 29 -39.687 -36.368 17.002 1.00 36.14 C +ATOM 180 CD1 LEU A 29 -39.800 -36.814 15.562 1.00 36.21 C +ATOM 181 CD2 LEU A 29 -41.058 -36.084 17.585 1.00 35.31 C +ATOM 182 N GLU A 30 -37.731 -38.690 20.674 1.00 64.15 N +ATOM 183 CA GLU A 30 -37.807 -39.795 21.616 1.00 63.97 C +ATOM 184 C GLU A 30 -37.270 -39.403 22.974 1.00 62.19 C +ATOM 185 O GLU A 30 -36.773 -40.239 23.720 1.00 62.96 O +ATOM 186 CB GLU A 30 -37.041 -40.999 21.083 1.00106.70 C +ATOM 187 CG GLU A 30 -35.576 -40.733 20.829 1.00111.21 C +ATOM 188 CD GLU A 30 -34.967 -41.719 19.838 1.00114.74 C +ATOM 189 OE1 GLU A 30 -35.562 -41.918 18.747 1.00115.66 O +ATOM 190 OE2 GLU A 30 -33.890 -42.284 20.145 1.00117.30 O +ATOM 191 N LYS A 31 -37.359 -38.119 23.282 1.00 52.21 N +ATOM 192 CA LYS A 31 -36.913 -37.614 24.566 1.00 49.14 C +ATOM 193 C LYS A 31 -38.014 -36.707 25.088 1.00 46.45 C +ATOM 194 O LYS A 31 -38.194 -36.573 26.299 1.00 44.87 O +ATOM 195 CB LYS A 31 -35.615 -36.818 24.428 1.00 78.88 C +ATOM 196 CG LYS A 31 -34.386 -37.652 24.103 1.00 81.23 C +ATOM 197 CD LYS A 31 -33.110 -36.825 24.290 1.00 83.08 C +ATOM 198 CE LYS A 31 -31.859 -37.609 23.905 1.00 83.71 C +ATOM 199 NZ LYS A 31 -30.612 -36.883 24.287 1.00 85.33 N +ATOM 200 N TYR A 32 -38.753 -36.098 24.159 1.00 47.09 N +ATOM 201 CA TYR A 32 -39.839 -35.190 24.504 1.00 46.42 C +ATOM 202 C TYR A 32 -41.070 -35.469 23.676 1.00 46.94 C +ATOM 203 O TYR A 32 -40.984 -35.988 22.561 1.00 46.08 O +ATOM 204 CB TYR A 32 -39.410 -33.739 24.291 1.00 42.61 C +ATOM 205 CG TYR A 32 -38.044 -33.478 24.846 1.00 39.42 C +ATOM 206 CD1 TYR A 32 -37.836 -33.337 26.216 1.00 39.44 C +ATOM 207 CD2 TYR A 32 -36.937 -33.479 24.008 1.00 40.68 C +ATOM 208 CE1 TYR A 32 -36.553 -33.213 26.739 1.00 39.88 C +ATOM 209 CE2 TYR A 32 -35.652 -33.357 24.514 1.00 42.06 C +ATOM 210 CZ TYR A 32 -35.463 -33.226 25.877 1.00 41.78 C +ATOM 211 OH TYR A 32 -34.178 -33.121 26.355 1.00 42.85 O +ATOM 212 N ASN A 33 -42.223 -35.113 24.234 1.00 50.51 N +ATOM 213 CA ASN A 33 -43.505 -35.308 23.552 1.00 52.78 C +ATOM 214 C ASN A 33 -44.059 -33.948 23.158 1.00 52.58 C +ATOM 215 O ASN A 33 -44.864 -33.843 22.231 1.00 52.63 O +ATOM 216 CB ASN A 33 -44.505 -36.004 24.471 1.00 87.29 C +ATOM 217 CG ASN A 33 -43.915 -37.200 25.192 1.00 89.90 C +ATOM 218 OD1 ASN A 33 -43.114 -37.955 24.633 1.00 92.91 O +ATOM 219 ND2 ASN A 33 -44.330 -37.392 26.450 1.00 89.54 N +ATOM 220 N ILE A 34 -43.641 -32.907 23.877 1.00 55.77 N +ATOM 221 CA ILE A 34 -44.122 -31.554 23.594 1.00 54.87 C +ATOM 222 C ILE A 34 -43.322 -30.954 22.442 1.00 53.90 C +ATOM 223 O ILE A 34 -42.097 -30.860 22.514 1.00 53.17 O +ATOM 224 CB ILE A 34 -43.951 -30.658 24.809 1.00 51.65 C +ATOM 225 CG1 ILE A 34 -44.600 -31.314 26.024 1.00 52.06 C +ATOM 226 CG2 ILE A 34 -44.568 -29.296 24.533 1.00 50.49 C +ATOM 227 CD1 ILE A 34 -44.460 -30.500 27.300 1.00 54.41 C +ATOM 228 N GLU A 35 -44.010 -30.532 21.391 1.00 45.28 N +ATOM 229 CA GLU A 35 -43.339 -29.951 20.229 1.00 44.10 C +ATOM 230 C GLU A 35 -42.376 -28.855 20.645 1.00 43.29 C +ATOM 231 O GLU A 35 -41.227 -28.836 20.230 1.00 43.17 O +ATOM 232 CB GLU A 35 -44.382 -29.404 19.263 1.00 44.82 C +ATOM 233 CG GLU A 35 -45.413 -30.448 18.901 1.00 44.02 C +ATOM 234 CD GLU A 35 -46.503 -29.905 18.020 1.00 46.22 C +ATOM 235 OE1 GLU A 35 -47.109 -28.878 18.401 1.00 45.39 O +ATOM 236 OE2 GLU A 35 -46.758 -30.508 16.950 1.00 47.65 O +ATOM 237 N LYS A 36 -42.861 -27.947 21.475 1.00 47.33 N +ATOM 238 CA LYS A 36 -42.071 -26.840 21.989 1.00 46.62 C +ATOM 239 C LYS A 36 -40.696 -27.300 22.483 1.00 45.89 C +ATOM 240 O LYS A 36 -39.685 -26.663 22.208 1.00 46.35 O +ATOM 241 CB LYS A 36 -42.839 -26.199 23.131 1.00 49.55 C +ATOM 242 CG LYS A 36 -42.104 -25.129 23.850 1.00 50.14 C +ATOM 243 CD LYS A 36 -42.585 -25.045 25.286 1.00 49.49 C +ATOM 244 CE LYS A 36 -41.999 -26.167 26.119 1.00 48.13 C +ATOM 245 NZ LYS A 36 -42.156 -25.873 27.571 1.00 44.29 N +ATOM 246 N ASP A 37 -40.663 -28.401 23.223 1.00 37.95 N +ATOM 247 CA ASP A 37 -39.404 -28.921 23.735 1.00 37.82 C +ATOM 248 C ASP A 37 -38.624 -29.612 22.645 1.00 37.20 C +ATOM 249 O ASP A 37 -37.402 -29.658 22.693 1.00 35.74 O +ATOM 250 CB ASP A 37 -39.634 -29.920 24.862 1.00 61.45 C +ATOM 251 CG ASP A 37 -40.272 -29.293 26.073 1.00 63.24 C +ATOM 252 OD1 ASP A 37 -39.925 -28.135 26.411 1.00 64.91 O +ATOM 253 OD2 ASP A 37 -41.113 -29.971 26.698 1.00 65.19 O +ATOM 254 N ILE A 38 -39.337 -30.175 21.676 1.00 47.95 N +ATOM 255 CA ILE A 38 -38.689 -30.863 20.565 1.00 47.97 C +ATOM 256 C ILE A 38 -37.819 -29.827 19.866 1.00 46.54 C +ATOM 257 O ILE A 38 -36.632 -30.047 19.636 1.00 46.68 O +ATOM 258 CB ILE A 38 -39.718 -31.408 19.542 1.00 65.28 C +ATOM 259 CG1 ILE A 38 -40.706 -32.365 20.222 1.00 66.75 C +ATOM 260 CG2 ILE A 38 -38.987 -32.131 18.418 1.00 66.08 C +ATOM 261 CD1 ILE A 38 -40.104 -33.690 20.639 1.00 68.68 C +ATOM 262 N ALA A 39 -38.427 -28.694 19.539 1.00 38.39 N +ATOM 263 CA ALA A 39 -37.730 -27.609 18.883 1.00 36.77 C +ATOM 264 C ALA A 39 -36.481 -27.249 19.684 1.00 36.63 C +ATOM 265 O ALA A 39 -35.357 -27.305 19.175 1.00 36.70 O +ATOM 266 CB ALA A 39 -38.646 -26.402 18.775 1.00 10.35 C +ATOM 267 N ALA A 40 -36.683 -26.883 20.941 1.00 27.06 N +ATOM 268 CA ALA A 40 -35.583 -26.498 21.812 1.00 27.65 C +ATOM 269 C ALA A 40 -34.378 -27.420 21.709 1.00 28.76 C +ATOM 270 O ALA A 40 -33.254 -26.961 21.570 1.00 29.00 O +ATOM 271 CB ALA A 40 -36.058 -26.434 23.250 1.00 27.26 C +ATOM 272 N TYR A 41 -34.613 -28.721 21.782 1.00 39.99 N +ATOM 273 CA TYR A 41 -33.527 -29.681 21.704 1.00 39.94 C +ATOM 274 C TYR A 41 -32.705 -29.481 20.435 1.00 39.50 C +ATOM 275 O TYR A 41 -31.470 -29.388 20.489 1.00 38.58 O +ATOM 276 CB TYR A 41 -34.077 -31.107 21.724 1.00 42.17 C +ATOM 277 CG TYR A 41 -32.997 -32.172 21.755 1.00 42.22 C +ATOM 278 CD1 TYR A 41 -32.347 -32.502 22.948 1.00 42.17 C +ATOM 279 CD2 TYR A 41 -32.599 -32.820 20.586 1.00 42.48 C +ATOM 280 CE1 TYR A 41 -31.329 -33.447 22.977 1.00 42.29 C +ATOM 281 CE2 TYR A 41 -31.580 -33.766 20.602 1.00 44.16 C +ATOM 282 CZ TYR A 41 -30.948 -34.076 21.803 1.00 44.57 C +ATOM 283 OH TYR A 41 -29.938 -35.019 21.826 1.00 47.10 O +ATOM 284 N ILE A 42 -33.404 -29.424 19.302 1.00 31.20 N +ATOM 285 CA ILE A 42 -32.776 -29.259 18.000 1.00 31.87 C +ATOM 286 C ILE A 42 -32.022 -27.943 17.858 1.00 32.11 C +ATOM 287 O ILE A 42 -30.829 -27.922 17.535 1.00 33.18 O +ATOM 288 CB ILE A 42 -33.825 -29.345 16.892 1.00 37.61 C +ATOM 289 CG1 ILE A 42 -34.524 -30.701 16.954 1.00 38.52 C +ATOM 290 CG2 ILE A 42 -33.172 -29.160 15.535 1.00 39.22 C +ATOM 291 CD1 ILE A 42 -35.784 -30.770 16.106 1.00 36.43 C +ATOM 292 N LYS A 43 -32.731 -26.848 18.102 1.00 31.71 N +ATOM 293 CA LYS A 43 -32.160 -25.518 18.002 1.00 30.57 C +ATOM 294 C LYS A 43 -30.884 -25.375 18.829 1.00 30.72 C +ATOM 295 O LYS A 43 -29.929 -24.728 18.401 1.00 30.46 O +ATOM 296 CB LYS A 43 -33.210 -24.490 18.437 1.00 30.50 C +ATOM 297 CG LYS A 43 -32.778 -23.029 18.385 1.00 27.96 C +ATOM 298 CD LYS A 43 -31.954 -22.663 19.600 1.00 24.77 C +ATOM 299 CE LYS A 43 -32.110 -21.196 19.965 1.00 23.58 C +ATOM 300 NZ LYS A 43 -31.600 -20.281 18.907 1.00 22.60 N +ATOM 301 N LYS A 44 -30.858 -25.993 20.002 1.00 29.04 N +ATOM 302 CA LYS A 44 -29.693 -25.896 20.865 1.00 30.28 C +ATOM 303 C LYS A 44 -28.488 -26.653 20.348 1.00 31.22 C +ATOM 304 O LYS A 44 -27.358 -26.264 20.608 1.00 30.60 O +ATOM 305 CB LYS A 44 -30.016 -26.390 22.269 1.00 34.26 C +ATOM 306 CG LYS A 44 -31.027 -25.547 23.006 1.00 34.97 C +ATOM 307 CD LYS A 44 -31.276 -26.128 24.373 1.00 36.05 C +ATOM 308 CE LYS A 44 -32.421 -25.436 25.070 1.00 38.54 C +ATOM 309 NZ LYS A 44 -32.562 -25.958 26.459 1.00 37.98 N +ATOM 310 N GLU A 45 -28.716 -27.737 19.622 1.00 42.33 N +ATOM 311 CA GLU A 45 -27.598 -28.510 19.103 1.00 45.81 C +ATOM 312 C GLU A 45 -26.916 -27.768 17.985 1.00 45.66 C +ATOM 313 O GLU A 45 -25.697 -27.816 17.844 1.00 46.12 O +ATOM 314 CB GLU A 45 -28.074 -29.864 18.593 1.00 94.84 C +ATOM 315 CG GLU A 45 -28.376 -30.851 19.698 1.00101.93 C +ATOM 316 CD GLU A 45 -27.526 -32.100 19.580 1.00106.69 C +ATOM 317 OE1 GLU A 45 -26.287 -31.952 19.440 1.00109.16 O +ATOM 318 OE2 GLU A 45 -28.093 -33.224 19.627 1.00109.06 O +ATOM 319 N PHE A 46 -27.709 -27.082 17.179 1.00 46.03 N +ATOM 320 CA PHE A 46 -27.150 -26.343 16.073 1.00 44.99 C +ATOM 321 C PHE A 46 -26.521 -25.032 16.491 1.00 44.17 C +ATOM 322 O PHE A 46 -25.665 -24.504 15.795 1.00 44.31 O +ATOM 323 CB PHE A 46 -28.212 -26.125 15.006 1.00 33.10 C +ATOM 324 CG PHE A 46 -28.332 -27.274 14.061 1.00 32.78 C +ATOM 325 CD1 PHE A 46 -28.540 -28.561 14.545 1.00 33.28 C +ATOM 326 CD2 PHE A 46 -28.205 -27.082 12.689 1.00 32.85 C +ATOM 327 CE1 PHE A 46 -28.618 -29.648 13.681 1.00 33.44 C +ATOM 328 CE2 PHE A 46 -28.281 -28.162 11.805 1.00 34.40 C +ATOM 329 CZ PHE A 46 -28.487 -29.448 12.304 1.00 35.87 C +ATOM 330 N ASP A 47 -26.928 -24.493 17.625 1.00 37.77 N +ATOM 331 CA ASP A 47 -26.321 -23.253 18.043 1.00 37.65 C +ATOM 332 C ASP A 47 -24.969 -23.617 18.609 1.00 38.94 C +ATOM 333 O ASP A 47 -24.020 -22.839 18.573 1.00 38.58 O +ATOM 334 CB ASP A 47 -27.179 -22.568 19.102 1.00 38.32 C +ATOM 335 CG ASP A 47 -28.203 -21.635 18.501 1.00 37.83 C +ATOM 336 OD1 ASP A 47 -28.253 -21.514 17.256 1.00 35.39 O +ATOM 337 OD2 ASP A 47 -28.956 -21.014 19.275 1.00 37.55 O +ATOM 338 N LYS A 48 -24.886 -24.840 19.102 1.00 47.62 N +ATOM 339 CA LYS A 48 -23.674 -25.328 19.720 1.00 49.85 C +ATOM 340 C LYS A 48 -22.640 -25.820 18.717 1.00 50.77 C +ATOM 341 O LYS A 48 -21.504 -25.352 18.706 1.00 50.67 O +ATOM 342 CB LYS A 48 -24.043 -26.442 20.695 1.00 50.42 C +ATOM 343 CG LYS A 48 -22.889 -26.986 21.490 1.00 54.72 C +ATOM 344 CD LYS A 48 -23.360 -28.038 22.489 1.00 55.96 C +ATOM 345 CE LYS A 48 -22.191 -28.603 23.300 1.00 58.46 C +ATOM 346 NZ LYS A 48 -22.628 -29.550 24.376 1.00 59.35 N +ATOM 347 N LYS A 49 -23.049 -26.757 17.871 1.00 51.40 N +ATOM 348 CA LYS A 49 -22.163 -27.353 16.885 1.00 51.61 C +ATOM 349 C LYS A 49 -22.000 -26.553 15.611 1.00 51.36 C +ATOM 350 O LYS A 49 -21.085 -26.803 14.832 1.00 50.91 O +ATOM 351 CB LYS A 49 -22.652 -28.762 16.539 1.00 59.86 C +ATOM 352 CG LYS A 49 -21.822 -29.476 15.485 1.00 61.89 C +ATOM 353 CD LYS A 49 -22.319 -30.895 15.256 1.00 64.90 C +ATOM 354 CE LYS A 49 -21.477 -31.630 14.212 1.00 65.75 C +ATOM 355 NZ LYS A 49 -21.875 -33.068 14.070 1.00 65.71 N +ATOM 356 N TYR A 50 -22.866 -25.579 15.383 1.00 43.73 N +ATOM 357 CA TYR A 50 -22.760 -24.801 14.154 1.00 43.25 C +ATOM 358 C TYR A 50 -22.886 -23.295 14.330 1.00 41.71 C +ATOM 359 O TYR A 50 -23.111 -22.586 13.358 1.00 40.79 O +ATOM 360 CB TYR A 50 -23.806 -25.291 13.158 1.00 57.95 C +ATOM 361 CG TYR A 50 -23.577 -26.696 12.687 1.00 62.03 C +ATOM 362 CD1 TYR A 50 -24.326 -27.761 13.188 1.00 63.69 C +ATOM 363 CD2 TYR A 50 -22.593 -26.964 11.748 1.00 63.90 C +ATOM 364 CE1 TYR A 50 -24.091 -29.062 12.756 1.00 65.22 C +ATOM 365 CE2 TYR A 50 -22.352 -28.249 11.315 1.00 65.04 C +ATOM 366 CZ TYR A 50 -23.100 -29.296 11.817 1.00 65.91 C +ATOM 367 OH TYR A 50 -22.846 -30.571 11.359 1.00 66.72 O +ATOM 368 N ASN A 51 -22.745 -22.837 15.570 1.00 36.59 N +ATOM 369 CA ASN A 51 -22.814 -21.439 15.946 1.00 36.85 C +ATOM 370 C ASN A 51 -24.216 -20.867 15.875 1.00 36.26 C +ATOM 371 O ASN A 51 -25.072 -21.345 15.151 1.00 35.66 O +ATOM 372 CB ASN A 51 -21.879 -20.597 15.071 1.00 54.84 C +ATOM 373 CG ASN A 51 -20.438 -21.057 15.153 1.00 56.89 C +ATOM 374 OD1 ASN A 51 -19.854 -21.153 16.253 1.00 58.80 O +ATOM 375 ND2 ASN A 51 -19.855 -21.375 13.988 1.00 57.58 N +ATOM 376 N PRO A 52 -24.478 -19.839 16.674 1.00 41.76 N +ATOM 377 CA PRO A 52 -25.789 -19.195 16.674 1.00 41.10 C +ATOM 378 C PRO A 52 -25.870 -18.458 15.326 1.00 40.59 C +ATOM 379 O PRO A 52 -24.877 -18.419 14.609 1.00 41.58 O +ATOM 380 CB PRO A 52 -25.700 -18.285 17.888 1.00 29.18 C +ATOM 381 CG PRO A 52 -24.744 -19.084 18.792 1.00 29.96 C +ATOM 382 CD PRO A 52 -23.687 -19.427 17.837 1.00 28.75 C +ATOM 383 N THR A 53 -27.055 -17.993 14.925 1.00 49.74 N +ATOM 384 CA THR A 53 -28.306 -18.160 15.687 1.00 47.95 C +ATOM 385 C THR A 53 -29.332 -19.003 14.916 1.00 48.61 C +ATOM 386 O THR A 53 -29.786 -18.621 13.842 1.00 48.27 O +ATOM 387 CB THR A 53 -28.934 -16.792 16.034 1.00 50.92 C +ATOM 388 OG1 THR A 53 -28.000 -15.996 16.781 1.00 50.23 O +ATOM 389 CG2 THR A 53 -30.173 -16.976 16.906 1.00 49.11 C +ATOM 390 N TRP A 54 -29.677 -20.170 15.454 1.00 41.92 N +ATOM 391 CA TRP A 54 -30.625 -21.078 14.796 1.00 39.08 C +ATOM 392 C TRP A 54 -32.024 -20.965 15.357 1.00 36.74 C +ATOM 393 O TRP A 54 -32.216 -20.521 16.481 1.00 35.74 O +ATOM 394 CB TRP A 54 -30.174 -22.515 14.928 1.00 38.68 C +ATOM 395 CG TRP A 54 -29.033 -22.811 14.069 1.00 36.98 C +ATOM 396 CD1 TRP A 54 -27.720 -22.698 14.395 1.00 35.61 C +ATOM 397 CD2 TRP A 54 -29.078 -23.319 12.729 1.00 36.28 C +ATOM 398 NE1 TRP A 54 -26.937 -23.115 13.351 1.00 35.10 N +ATOM 399 CE2 TRP A 54 -27.743 -23.501 12.316 1.00 35.57 C +ATOM 400 CE3 TRP A 54 -30.115 -23.637 11.840 1.00 35.47 C +ATOM 401 CZ2 TRP A 54 -27.412 -23.994 11.054 1.00 35.49 C +ATOM 402 CZ3 TRP A 54 -29.781 -24.128 10.580 1.00 36.53 C +ATOM 403 CH2 TRP A 54 -28.440 -24.301 10.202 1.00 36.18 C +ATOM 404 N HIS A 55 -33.007 -21.347 14.549 1.00 36.66 N +ATOM 405 CA HIS A 55 -34.428 -21.282 14.927 1.00 34.56 C +ATOM 406 C HIS A 55 -35.115 -22.563 14.472 1.00 34.02 C +ATOM 407 O HIS A 55 -34.931 -22.987 13.334 1.00 32.95 O +ATOM 408 CB HIS A 55 -35.093 -20.094 14.231 1.00 32.30 C +ATOM 409 CG HIS A 55 -34.377 -18.797 14.438 1.00 34.97 C +ATOM 410 ND1 HIS A 55 -34.240 -18.211 15.678 1.00 36.83 N +ATOM 411 CD2 HIS A 55 -33.735 -17.982 13.567 1.00 35.14 C +ATOM 412 CE1 HIS A 55 -33.546 -17.093 15.560 1.00 36.98 C +ATOM 413 NE2 HIS A 55 -33.227 -16.931 14.289 1.00 34.89 N +ATOM 414 N CYS A 56 -35.909 -23.169 15.353 1.00 37.35 N +ATOM 415 CA CYS A 56 -36.616 -24.402 15.009 1.00 37.51 C +ATOM 416 C CYS A 56 -38.118 -24.368 15.293 1.00 37.73 C +ATOM 417 O CYS A 56 -38.561 -23.860 16.323 1.00 37.50 O +ATOM 418 CB CYS A 56 -35.995 -25.603 15.733 1.00 48.07 C +ATOM 419 SG CYS A 56 -36.592 -27.187 15.151 1.00 44.36 S +ATOM 420 N ILE A 57 -38.894 -24.916 14.364 1.00 33.21 N +ATOM 421 CA ILE A 57 -40.347 -24.977 14.494 1.00 32.67 C +ATOM 422 C ILE A 57 -40.747 -26.412 14.275 1.00 33.88 C +ATOM 423 O ILE A 57 -40.570 -26.922 13.181 1.00 33.75 O +ATOM 424 CB ILE A 57 -41.071 -24.184 13.409 1.00 28.06 C +ATOM 425 CG1 ILE A 57 -40.495 -22.778 13.313 1.00 26.84 C +ATOM 426 CG2 ILE A 57 -42.560 -24.144 13.715 1.00 27.44 C +ATOM 427 CD1 ILE A 57 -40.565 -22.028 14.595 1.00 24.24 C +ATOM 428 N VAL A 58 -41.297 -27.053 15.299 1.00 39.52 N +ATOM 429 CA VAL A 58 -41.722 -28.447 15.198 1.00 42.01 C +ATOM 430 C VAL A 58 -43.231 -28.612 15.353 1.00 43.01 C +ATOM 431 O VAL A 58 -43.762 -28.421 16.437 1.00 43.28 O +ATOM 432 CB VAL A 58 -41.051 -29.285 16.265 1.00 41.47 C +ATOM 433 CG1 VAL A 58 -41.563 -30.700 16.191 1.00 42.31 C +ATOM 434 CG2 VAL A 58 -39.544 -29.223 16.093 1.00 41.70 C +ATOM 435 N GLY A 59 -43.921 -28.974 14.277 1.00 49.15 N +ATOM 436 CA GLY A 59 -45.364 -29.136 14.358 1.00 50.67 C +ATOM 437 C GLY A 59 -45.980 -30.120 13.370 1.00 51.10 C +ATOM 438 O GLY A 59 -45.277 -30.795 12.615 1.00 52.34 O +ATOM 439 N ARG A 60 -47.304 -30.211 13.370 1.00 47.38 N +ATOM 440 CA ARG A 60 -47.991 -31.131 12.473 1.00 46.16 C +ATOM 441 C ARG A 60 -48.902 -30.376 11.539 1.00 45.33 C +ATOM 442 O ARG A 60 -49.505 -30.961 10.638 1.00 45.64 O +ATOM 443 CB ARG A 60 -48.827 -32.134 13.268 1.00 57.75 C +ATOM 444 CG ARG A 60 -48.037 -33.248 13.922 1.00 58.99 C +ATOM 445 CD ARG A 60 -48.765 -33.755 15.155 1.00 59.81 C +ATOM 446 NE ARG A 60 -48.053 -34.850 15.808 1.00 62.46 N +ATOM 447 CZ ARG A 60 -47.919 -36.070 15.294 1.00 63.98 C +ATOM 448 NH1 ARG A 60 -48.456 -36.358 14.110 1.00 63.48 N +ATOM 449 NH2 ARG A 60 -47.246 -37.002 15.964 1.00 65.42 N +ATOM 450 N ASN A 61 -49.000 -29.070 11.753 1.00 39.55 N +ATOM 451 CA ASN A 61 -49.865 -28.247 10.933 1.00 38.82 C +ATOM 452 C ASN A 61 -49.489 -26.770 11.023 1.00 38.45 C +ATOM 453 O ASN A 61 -49.860 -26.085 11.985 1.00 38.27 O +ATOM 454 CB ASN A 61 -51.308 -28.462 11.387 1.00 46.28 C +ATOM 455 CG ASN A 61 -52.279 -27.521 10.718 1.00 47.42 C +ATOM 456 OD1 ASN A 61 -52.576 -26.444 11.232 1.00 47.63 O +ATOM 457 ND2 ASN A 61 -52.772 -27.917 9.551 1.00 50.72 N +ATOM 458 N PHE A 62 -48.753 -26.274 10.028 1.00 38.77 N +ATOM 459 CA PHE A 62 -48.349 -24.870 10.032 1.00 39.61 C +ATOM 460 C PHE A 62 -47.725 -24.400 8.720 1.00 40.70 C +ATOM 461 O PHE A 62 -47.159 -25.186 7.957 1.00 41.31 O +ATOM 462 CB PHE A 62 -47.376 -24.606 11.189 1.00 29.65 C +ATOM 463 CG PHE A 62 -46.023 -25.246 11.015 1.00 28.08 C +ATOM 464 CD1 PHE A 62 -45.019 -24.599 10.299 1.00 27.26 C +ATOM 465 CD2 PHE A 62 -45.751 -26.494 11.572 1.00 27.33 C +ATOM 466 CE1 PHE A 62 -43.770 -25.179 10.139 1.00 24.34 C +ATOM 467 CE2 PHE A 62 -44.502 -27.085 11.420 1.00 27.75 C +ATOM 468 CZ PHE A 62 -43.509 -26.423 10.700 1.00 27.04 C +ATOM 469 N GLY A 63 -47.831 -23.104 8.467 1.00 43.20 N +ATOM 470 CA GLY A 63 -47.266 -22.539 7.259 1.00 44.02 C +ATOM 471 C GLY A 63 -46.317 -21.446 7.692 1.00 44.69 C +ATOM 472 O GLY A 63 -46.494 -20.875 8.765 1.00 44.79 O +ATOM 473 N SER A 64 -45.314 -21.149 6.875 1.00 45.07 N +ATOM 474 CA SER A 64 -44.351 -20.124 7.239 1.00 44.15 C +ATOM 475 C SER A 64 -43.722 -19.454 6.041 1.00 44.06 C +ATOM 476 O SER A 64 -43.837 -19.921 4.911 1.00 44.71 O +ATOM 477 CB SER A 64 -43.231 -20.728 8.073 1.00 43.58 C +ATOM 478 OG SER A 64 -42.307 -21.379 7.220 1.00 44.43 O +ATOM 479 N TYR A 65 -43.039 -18.353 6.325 1.00 48.89 N +ATOM 480 CA TYR A 65 -42.334 -17.561 5.332 1.00 49.35 C +ATOM 481 C TYR A 65 -41.216 -16.871 6.103 1.00 49.35 C +ATOM 482 O TYR A 65 -41.429 -15.845 6.750 1.00 48.20 O +ATOM 483 CB TYR A 65 -43.269 -16.530 4.709 1.00 47.53 C +ATOM 484 CG TYR A 65 -42.676 -15.847 3.503 1.00 49.76 C +ATOM 485 CD1 TYR A 65 -42.124 -16.591 2.458 1.00 50.28 C +ATOM 486 CD2 TYR A 65 -42.698 -14.458 3.385 1.00 50.32 C +ATOM 487 CE1 TYR A 65 -41.616 -15.967 1.328 1.00 51.21 C +ATOM 488 CE2 TYR A 65 -42.195 -13.826 2.258 1.00 50.79 C +ATOM 489 CZ TYR A 65 -41.660 -14.585 1.233 1.00 51.46 C +ATOM 490 OH TYR A 65 -41.207 -13.957 0.095 1.00 51.52 O +ATOM 491 N VAL A 66 -40.025 -17.454 6.037 1.00 45.08 N +ATOM 492 CA VAL A 66 -38.874 -16.939 6.762 1.00 43.15 C +ATOM 493 C VAL A 66 -37.703 -16.606 5.848 1.00 41.83 C +ATOM 494 O VAL A 66 -37.675 -17.003 4.692 1.00 41.40 O +ATOM 495 CB VAL A 66 -38.389 -17.983 7.803 1.00 41.26 C +ATOM 496 CG1 VAL A 66 -39.551 -18.433 8.676 1.00 39.58 C +ATOM 497 CG2 VAL A 66 -37.784 -19.179 7.096 1.00 37.83 C +ATOM 498 N THR A 67 -36.738 -15.872 6.385 1.00 34.98 N +ATOM 499 CA THR A 67 -35.530 -15.513 5.655 1.00 33.48 C +ATOM 500 C THR A 67 -34.373 -16.241 6.328 1.00 33.52 C +ATOM 501 O THR A 67 -34.404 -16.437 7.538 1.00 34.80 O +ATOM 502 CB THR A 67 -35.251 -14.042 5.756 1.00 31.75 C +ATOM 503 OG1 THR A 67 -36.356 -13.307 5.216 1.00 31.87 O +ATOM 504 CG2 THR A 67 -33.968 -13.716 5.020 1.00 30.29 C +ATOM 505 N HIS A 68 -33.351 -16.632 5.569 1.00 35.02 N +ATOM 506 CA HIS A 68 -32.211 -17.350 6.157 1.00 36.33 C +ATOM 507 C HIS A 68 -30.895 -17.136 5.413 1.00 36.05 C +ATOM 508 O HIS A 68 -30.883 -16.612 4.307 1.00 36.12 O +ATOM 509 CB HIS A 68 -32.513 -18.849 6.205 1.00 42.40 C +ATOM 510 CG HIS A 68 -32.532 -19.506 4.858 1.00 45.53 C +ATOM 511 ND1 HIS A 68 -31.406 -20.052 4.279 1.00 46.09 N +ATOM 512 CD2 HIS A 68 -33.538 -19.692 3.969 1.00 46.67 C +ATOM 513 CE1 HIS A 68 -31.717 -20.547 3.094 1.00 47.51 C +ATOM 514 NE2 HIS A 68 -33.005 -20.343 2.881 1.00 47.32 N +ATOM 515 N GLU A 69 -29.793 -17.546 6.038 1.00 34.98 N +ATOM 516 CA GLU A 69 -28.464 -17.443 5.442 1.00 36.24 C +ATOM 517 C GLU A 69 -28.318 -18.610 4.487 1.00 35.33 C +ATOM 518 O GLU A 69 -28.852 -19.682 4.751 1.00 35.12 O +ATOM 519 CB GLU A 69 -27.383 -17.569 6.507 1.00 58.06 C +ATOM 520 CG GLU A 69 -27.364 -16.445 7.493 1.00 62.59 C +ATOM 521 CD GLU A 69 -26.363 -16.669 8.607 1.00 65.06 C +ATOM 522 OE1 GLU A 69 -25.254 -17.173 8.303 1.00 65.92 O +ATOM 523 OE2 GLU A 69 -26.688 -16.328 9.777 1.00 65.09 O +ATOM 524 N THR A 70 -27.584 -18.426 3.397 1.00 31.05 N +ATOM 525 CA THR A 70 -27.410 -19.515 2.445 1.00 31.63 C +ATOM 526 C THR A 70 -26.889 -20.765 3.123 1.00 31.92 C +ATOM 527 O THR A 70 -26.237 -20.688 4.155 1.00 31.73 O +ATOM 528 CB THR A 70 -26.400 -19.177 1.358 1.00 40.00 C +ATOM 529 OG1 THR A 70 -26.242 -17.760 1.274 1.00 42.41 O +ATOM 530 CG2 THR A 70 -26.879 -19.715 0.025 1.00 38.93 C +ATOM 531 N ARG A 71 -27.191 -21.918 2.545 1.00 29.84 N +ATOM 532 CA ARG A 71 -26.688 -23.168 3.074 1.00 30.71 C +ATOM 533 C ARG A 71 -27.121 -23.483 4.494 1.00 31.75 C +ATOM 534 O ARG A 71 -26.689 -24.478 5.067 1.00 32.13 O +ATOM 535 CB ARG A 71 -25.162 -23.154 2.986 1.00 44.16 C +ATOM 536 CG ARG A 71 -24.658 -22.936 1.559 1.00 46.82 C +ATOM 537 CD ARG A 71 -23.164 -22.655 1.469 1.00 48.15 C +ATOM 538 NE ARG A 71 -22.793 -22.368 0.089 1.00 51.56 N +ATOM 539 CZ ARG A 71 -21.569 -22.042 -0.311 1.00 53.27 C +ATOM 540 NH1 ARG A 71 -20.587 -21.957 0.570 1.00 52.96 N +ATOM 541 NH2 ARG A 71 -21.330 -21.811 -1.597 1.00 53.53 N +ATOM 542 N HIS A 72 -27.978 -22.655 5.071 1.00 42.80 N +ATOM 543 CA HIS A 72 -28.422 -22.910 6.435 1.00 43.69 C +ATOM 544 C HIS A 72 -29.936 -22.949 6.569 1.00 43.91 C +ATOM 545 O HIS A 72 -30.542 -22.136 7.271 1.00 42.75 O +ATOM 546 CB HIS A 72 -27.830 -21.868 7.380 1.00 49.35 C +ATOM 547 CG HIS A 72 -26.343 -21.956 7.498 1.00 51.98 C +ATOM 548 ND1 HIS A 72 -25.496 -20.993 6.993 1.00 51.49 N +ATOM 549 CD2 HIS A 72 -25.549 -22.920 8.023 1.00 51.41 C +ATOM 550 CE1 HIS A 72 -24.244 -21.362 7.200 1.00 51.49 C +ATOM 551 NE2 HIS A 72 -24.249 -22.528 7.823 1.00 50.97 N +ATOM 552 N PHE A 73 -30.536 -23.920 5.894 1.00 39.88 N +ATOM 553 CA PHE A 73 -31.976 -24.090 5.913 1.00 40.31 C +ATOM 554 C PHE A 73 -32.320 -25.527 5.591 1.00 40.71 C +ATOM 555 O PHE A 73 -31.585 -26.209 4.882 1.00 40.61 O +ATOM 556 CB PHE A 73 -32.627 -23.158 4.890 1.00 40.39 C +ATOM 557 CG PHE A 73 -34.103 -23.386 4.708 1.00 40.56 C +ATOM 558 CD1 PHE A 73 -34.571 -24.455 3.948 1.00 40.20 C +ATOM 559 CD2 PHE A 73 -35.026 -22.535 5.300 1.00 40.81 C +ATOM 560 CE1 PHE A 73 -35.938 -24.671 3.784 1.00 40.56 C +ATOM 561 CE2 PHE A 73 -36.397 -22.742 5.141 1.00 41.08 C +ATOM 562 CZ PHE A 73 -36.851 -23.814 4.380 1.00 40.98 C +ATOM 563 N ILE A 74 -33.448 -25.980 6.119 1.00 58.46 N +ATOM 564 CA ILE A 74 -33.911 -27.340 5.891 1.00 58.02 C +ATOM 565 C ILE A 74 -35.322 -27.500 6.442 1.00 59.36 C +ATOM 566 O ILE A 74 -35.633 -27.037 7.545 1.00 58.62 O +ATOM 567 CB ILE A 74 -33.015 -28.367 6.590 1.00 31.27 C +ATOM 568 CG1 ILE A 74 -33.452 -29.780 6.212 1.00 31.90 C +ATOM 569 CG2 ILE A 74 -33.108 -28.187 8.086 1.00 30.42 C +ATOM 570 CD1 ILE A 74 -32.635 -30.893 6.866 1.00 33.32 C +ATOM 571 N TYR A 75 -36.172 -28.157 5.662 1.00 69.62 N +ATOM 572 CA TYR A 75 -37.547 -28.400 6.061 1.00 71.65 C +ATOM 573 C TYR A 75 -37.854 -29.844 5.741 1.00 72.22 C +ATOM 574 O TYR A 75 -38.285 -30.158 4.636 1.00 74.44 O +ATOM 575 CB TYR A 75 -38.496 -27.497 5.281 1.00 61.32 C +ATOM 576 CG TYR A 75 -39.943 -27.680 5.664 1.00 63.44 C +ATOM 577 CD1 TYR A 75 -40.369 -27.446 6.969 1.00 64.37 C +ATOM 578 CD2 TYR A 75 -40.891 -28.075 4.720 1.00 64.91 C +ATOM 579 CE1 TYR A 75 -41.705 -27.598 7.327 1.00 66.42 C +ATOM 580 CE2 TYR A 75 -42.232 -28.228 5.068 1.00 65.90 C +ATOM 581 CZ TYR A 75 -42.629 -27.986 6.371 1.00 66.17 C +ATOM 582 OH TYR A 75 -43.952 -28.114 6.714 1.00 66.95 O +ATOM 583 N PHE A 76 -37.637 -30.720 6.712 1.00 50.18 N +ATOM 584 CA PHE A 76 -37.871 -32.139 6.513 1.00 50.22 C +ATOM 585 C PHE A 76 -38.922 -32.708 7.453 1.00 50.54 C +ATOM 586 O PHE A 76 -39.052 -32.263 8.590 1.00 51.19 O +ATOM 587 CB PHE A 76 -36.573 -32.898 6.732 1.00 50.59 C +ATOM 588 CG PHE A 76 -36.083 -32.853 8.150 1.00 50.21 C +ATOM 589 CD1 PHE A 76 -35.777 -31.638 8.758 1.00 48.74 C +ATOM 590 CD2 PHE A 76 -35.914 -34.028 8.870 1.00 49.96 C +ATOM 591 CE1 PHE A 76 -35.306 -31.595 10.058 1.00 48.75 C +ATOM 592 CE2 PHE A 76 -35.443 -34.000 10.174 1.00 51.27 C +ATOM 593 CZ PHE A 76 -35.137 -32.779 10.773 1.00 50.94 C +ATOM 594 N TYR A 77 -39.661 -33.706 6.975 1.00 52.00 N +ATOM 595 CA TYR A 77 -40.682 -34.362 7.785 1.00 51.18 C +ATOM 596 C TYR A 77 -40.098 -35.621 8.387 1.00 52.36 C +ATOM 597 O TYR A 77 -39.305 -36.317 7.765 1.00 51.63 O +ATOM 598 CB TYR A 77 -41.896 -34.754 6.949 1.00 36.08 C +ATOM 599 CG TYR A 77 -42.646 -33.595 6.364 1.00 33.80 C +ATOM 600 CD1 TYR A 77 -42.258 -33.023 5.163 1.00 32.67 C +ATOM 601 CD2 TYR A 77 -43.762 -33.080 7.009 1.00 34.18 C +ATOM 602 CE1 TYR A 77 -42.970 -31.968 4.614 1.00 33.53 C +ATOM 603 CE2 TYR A 77 -44.480 -32.023 6.471 1.00 32.48 C +ATOM 604 CZ TYR A 77 -44.085 -31.472 5.278 1.00 33.37 C +ATOM 605 OH TYR A 77 -44.813 -30.425 4.753 1.00 34.50 O +ATOM 606 N LEU A 78 -40.492 -35.910 9.611 1.00 55.30 N +ATOM 607 CA LEU A 78 -40.018 -37.096 10.280 1.00 58.32 C +ATOM 608 C LEU A 78 -41.303 -37.739 10.774 1.00 60.47 C +ATOM 609 O LEU A 78 -41.799 -37.430 11.863 1.00 61.53 O +ATOM 610 CB LEU A 78 -39.113 -36.715 11.441 1.00 65.32 C +ATOM 611 CG LEU A 78 -37.885 -37.601 11.643 1.00 67.43 C +ATOM 612 CD1 LEU A 78 -37.220 -37.248 12.974 1.00 66.56 C +ATOM 613 CD2 LEU A 78 -38.296 -39.066 11.624 1.00 67.24 C +ATOM 614 N GLY A 79 -41.849 -38.624 9.949 1.00 57.50 N +ATOM 615 CA GLY A 79 -43.098 -39.260 10.291 1.00 57.08 C +ATOM 616 C GLY A 79 -44.179 -38.258 9.938 1.00 57.12 C +ATOM 617 O GLY A 79 -44.159 -37.650 8.863 1.00 56.38 O +ATOM 618 N GLN A 80 -45.114 -38.068 10.859 1.00 78.00 N +ATOM 619 CA GLN A 80 -46.221 -37.141 10.662 1.00 77.98 C +ATOM 620 C GLN A 80 -45.778 -35.728 11.070 1.00 77.74 C +ATOM 621 O GLN A 80 -46.421 -34.729 10.727 1.00 78.15 O +ATOM 622 CB GLN A 80 -47.425 -37.567 11.528 1.00 65.20 C +ATOM 623 CG GLN A 80 -47.576 -39.082 11.821 1.00 63.16 C +ATOM 624 CD GLN A 80 -46.842 -39.550 13.091 1.00 62.30 C +ATOM 625 OE1 GLN A 80 -45.638 -39.812 13.072 1.00 62.11 O +ATOM 626 NE2 GLN A 80 -47.575 -39.652 14.194 1.00 60.00 N +ATOM 627 N VAL A 81 -44.667 -35.663 11.800 1.00 68.22 N +ATOM 628 CA VAL A 81 -44.129 -34.400 12.300 1.00 66.96 C +ATOM 629 C VAL A 81 -43.269 -33.622 11.307 1.00 64.60 C +ATOM 630 O VAL A 81 -42.431 -34.195 10.615 1.00 64.17 O +ATOM 631 CB VAL A 81 -43.288 -34.645 13.559 1.00 78.00 C +ATOM 632 CG1 VAL A 81 -42.996 -33.332 14.248 1.00 79.15 C +ATOM 633 CG2 VAL A 81 -44.021 -35.591 14.488 1.00 79.04 C +ATOM 634 N ALA A 82 -43.478 -32.311 11.251 1.00 47.87 N +ATOM 635 CA ALA A 82 -42.712 -31.449 10.354 1.00 45.82 C +ATOM 636 C ALA A 82 -41.683 -30.608 11.132 1.00 44.43 C +ATOM 637 O ALA A 82 -42.001 -30.028 12.173 1.00 43.27 O +ATOM 638 CB ALA A 82 -43.655 -30.540 9.581 1.00 18.47 C +ATOM 639 N ILE A 83 -40.452 -30.552 10.625 1.00 35.57 N +ATOM 640 CA ILE A 83 -39.388 -29.791 11.268 1.00 32.90 C +ATOM 641 C ILE A 83 -38.801 -28.700 10.375 1.00 32.40 C +ATOM 642 O ILE A 83 -38.341 -28.957 9.263 1.00 32.51 O +ATOM 643 CB ILE A 83 -38.227 -30.694 11.709 1.00 38.73 C +ATOM 644 CG1 ILE A 83 -38.722 -31.756 12.684 1.00 39.23 C +ATOM 645 CG2 ILE A 83 -37.138 -29.863 12.343 1.00 37.05 C +ATOM 646 CD1 ILE A 83 -39.502 -32.856 12.020 1.00 38.41 C +ATOM 647 N LEU A 84 -38.825 -27.477 10.890 1.00 46.64 N +ATOM 648 CA LEU A 84 -38.286 -26.308 10.209 1.00 43.98 C +ATOM 649 C LEU A 84 -37.112 -25.820 11.052 1.00 43.93 C +ATOM 650 O LEU A 84 -37.293 -25.383 12.188 1.00 42.39 O +ATOM 651 CB LEU A 84 -39.345 -25.218 10.121 1.00 24.92 C +ATOM 652 CG LEU A 84 -38.853 -23.853 9.648 1.00 22.54 C +ATOM 653 CD1 LEU A 84 -37.995 -24.010 8.416 1.00 19.73 C +ATOM 654 CD2 LEU A 84 -40.048 -22.960 9.369 1.00 20.89 C +ATOM 655 N LEU A 85 -35.912 -25.903 10.491 1.00 45.54 N +ATOM 656 CA LEU A 85 -34.703 -25.511 11.201 1.00 45.52 C +ATOM 657 C LEU A 85 -33.800 -24.658 10.328 1.00 44.94 C +ATOM 658 O LEU A 85 -33.055 -25.179 9.501 1.00 46.16 O +ATOM 659 CB LEU A 85 -33.948 -26.764 11.635 1.00 38.86 C +ATOM 660 CG LEU A 85 -32.556 -26.556 12.224 1.00 40.33 C +ATOM 661 CD1 LEU A 85 -32.692 -25.795 13.535 1.00 39.60 C +ATOM 662 CD2 LEU A 85 -31.867 -27.907 12.454 1.00 40.92 C +ATOM 663 N PHE A 86 -33.861 -23.347 10.505 1.00 37.19 N +ATOM 664 CA PHE A 86 -33.028 -22.464 9.715 1.00 36.76 C +ATOM 665 C PHE A 86 -32.202 -21.505 10.563 1.00 37.62 C +ATOM 666 O PHE A 86 -32.468 -21.283 11.743 1.00 36.83 O +ATOM 667 CB PHE A 86 -33.886 -21.659 8.767 1.00 34.17 C +ATOM 668 CG PHE A 86 -34.771 -20.685 9.456 1.00 34.13 C +ATOM 669 CD1 PHE A 86 -35.956 -21.102 10.053 1.00 33.71 C +ATOM 670 CD2 PHE A 86 -34.421 -19.340 9.506 1.00 34.06 C +ATOM 671 CE1 PHE A 86 -36.784 -20.192 10.684 1.00 33.39 C +ATOM 672 CE2 PHE A 86 -35.234 -18.412 10.133 1.00 34.08 C +ATOM 673 CZ PHE A 86 -36.421 -18.832 10.725 1.00 35.23 C +ATOM 674 N LYS A 87 -31.196 -20.921 9.934 1.00 33.00 N +ATOM 675 CA LYS A 87 -30.322 -19.984 10.611 1.00 34.38 C +ATOM 676 C LYS A 87 -30.495 -18.583 10.071 1.00 35.16 C +ATOM 677 O LYS A 87 -30.586 -18.358 8.869 1.00 33.64 O +ATOM 678 CB LYS A 87 -28.868 -20.408 10.451 1.00 46.67 C +ATOM 679 CG LYS A 87 -27.878 -19.511 11.149 1.00 47.68 C +ATOM 680 CD LYS A 87 -26.506 -20.144 11.133 1.00 48.75 C +ATOM 681 CE LYS A 87 -25.453 -19.202 11.676 1.00 49.72 C +ATOM 682 NZ LYS A 87 -24.130 -19.885 11.733 1.00 51.31 N +ATOM 683 N SER A 88 -30.553 -17.636 10.986 1.00 60.08 N +ATOM 684 CA SER A 88 -30.698 -16.243 10.628 1.00 63.49 C +ATOM 685 C SER A 88 -30.159 -15.444 11.808 1.00 67.18 C +ATOM 686 O SER A 88 -30.895 -15.119 12.751 1.00 67.04 O +ATOM 687 CB SER A 88 -32.165 -15.903 10.374 1.00 35.02 C +ATOM 688 OG SER A 88 -32.319 -14.523 10.122 1.00 30.74 O +ATOM 689 N GLY A 89 -28.858 -15.149 11.758 1.00114.14 N +ATOM 690 CA GLY A 89 -28.232 -14.392 12.827 1.00115.58 C +ATOM 691 C GLY A 89 -28.959 -13.078 13.058 1.00117.73 C +ATOM 692 O GLY A 89 -29.398 -12.450 12.060 1.00117.53 O +ATOM 693 OXT GLY A 89 -29.084 -12.673 14.240 1.00102.74 O +TER 694 GLY A 89 +END diff --git a/bench/main_benchmark/structures/SFB_FS_DLC8_2PG1A_1F3CA/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_DLC8_2PG1A_1F3CA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..82e30ab018b1e3094bc38ab3424113d8e194b685 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_DLC8_2PG1A_1F3CA/state_b.pdb @@ -0,0 +1,1450 @@ +MODEL 1 +ATOM 1 N MET A 1 -26.723 0.837 8.909 1.00 0.00 N +ATOM 2 CA MET A 1 -26.064 0.280 7.698 1.00 0.00 C +ATOM 3 C MET A 1 -25.563 1.390 6.782 1.00 0.00 C +ATOM 4 O MET A 1 -25.978 1.490 5.627 1.00 0.00 O +ATOM 5 CB MET A 1 -27.072 -0.599 6.957 1.00 0.00 C +ATOM 6 CG MET A 1 -26.497 -1.928 6.498 1.00 0.00 C +ATOM 7 SD MET A 1 -27.112 -2.429 4.880 1.00 0.00 S +ATOM 8 CE MET A 1 -26.083 -3.859 4.558 1.00 0.00 C +ATOM 9 H1 MET A 1 -27.509 0.205 9.161 1.00 0.00 H +ATOM 10 H2 MET A 1 -27.068 1.790 8.672 1.00 0.00 H +ATOM 11 H3 MET A 1 -26.014 0.873 9.668 1.00 0.00 H +ATOM 12 HA MET A 1 -25.226 -0.325 8.010 1.00 0.00 H +ATOM 13 HB2 MET A 1 -27.907 -0.799 7.611 1.00 0.00 H +ATOM 14 HB3 MET A 1 -27.426 -0.066 6.088 1.00 0.00 H +ATOM 15 HG2 MET A 1 -25.421 -1.841 6.447 1.00 0.00 H +ATOM 16 HG3 MET A 1 -26.761 -2.688 7.220 1.00 0.00 H +ATOM 17 HE1 MET A 1 -26.268 -4.216 3.555 1.00 0.00 H +ATOM 18 HE2 MET A 1 -26.318 -4.638 5.267 1.00 0.00 H +ATOM 19 HE3 MET A 1 -25.043 -3.583 4.656 1.00 0.00 H +ATOM 20 N CYS A 2 -24.667 2.222 7.301 1.00 0.00 N +ATOM 21 CA CYS A 2 -24.110 3.324 6.526 1.00 0.00 C +ATOM 22 C CYS A 2 -22.596 3.396 6.690 1.00 0.00 C +ATOM 23 O CYS A 2 -22.082 3.386 7.808 1.00 0.00 O +ATOM 24 CB CYS A 2 -24.743 4.649 6.954 1.00 0.00 C +ATOM 25 SG CYS A 2 -23.582 5.810 7.712 1.00 0.00 S +ATOM 26 H CYS A 2 -24.373 2.091 8.227 1.00 0.00 H +ATOM 27 HA CYS A 2 -24.339 3.146 5.486 1.00 0.00 H +ATOM 28 HB2 CYS A 2 -25.170 5.132 6.088 1.00 0.00 H +ATOM 29 HB3 CYS A 2 -25.526 4.450 7.671 1.00 0.00 H +ATOM 30 HG CYS A 2 -24.092 6.490 8.157 1.00 0.00 H +ATOM 31 N ASP A 3 -21.888 3.468 5.568 1.00 0.00 N +ATOM 32 CA ASP A 3 -20.433 3.543 5.586 1.00 0.00 C +ATOM 33 C ASP A 3 -19.966 4.988 5.737 1.00 0.00 C +ATOM 34 O ASP A 3 -20.494 5.738 6.559 1.00 0.00 O +ATOM 35 CB ASP A 3 -19.853 2.935 4.306 1.00 0.00 C +ATOM 36 CG ASP A 3 -20.921 2.318 3.424 1.00 0.00 C +ATOM 37 OD1 ASP A 3 -21.508 1.294 3.831 1.00 0.00 O +ATOM 38 OD2 ASP A 3 -21.170 2.859 2.326 1.00 0.00 O +ATOM 39 H ASP A 3 -22.356 3.472 4.707 1.00 0.00 H +ATOM 40 HA ASP A 3 -20.082 2.974 6.435 1.00 0.00 H +ATOM 41 HB2 ASP A 3 -19.351 3.708 3.744 1.00 0.00 H +ATOM 42 HB3 ASP A 3 -19.141 2.168 4.570 1.00 0.00 H +ATOM 43 N ARG A 4 -18.974 5.373 4.941 1.00 0.00 N +ATOM 44 CA ARG A 4 -18.437 6.727 4.989 1.00 0.00 C +ATOM 45 C ARG A 4 -18.067 7.115 6.416 1.00 0.00 C +ATOM 46 O ARG A 4 -17.797 8.281 6.703 1.00 0.00 O +ATOM 47 CB ARG A 4 -19.452 7.722 4.423 1.00 0.00 C +ATOM 48 CG ARG A 4 -18.905 9.133 4.277 1.00 0.00 C +ATOM 49 CD ARG A 4 -19.810 9.999 3.417 1.00 0.00 C +ATOM 50 NE ARG A 4 -20.052 11.306 4.020 1.00 0.00 N +ATOM 51 CZ ARG A 4 -21.242 11.897 4.044 1.00 0.00 C +ATOM 52 NH1 ARG A 4 -22.293 11.297 3.501 1.00 0.00 N +ATOM 53 NH2 ARG A 4 -21.382 13.086 4.613 1.00 0.00 N +ATOM 54 H ARG A 4 -18.593 4.729 4.307 1.00 0.00 H +ATOM 55 HA ARG A 4 -17.544 6.752 4.380 1.00 0.00 H +ATOM 56 HB2 ARG A 4 -19.771 7.380 3.449 1.00 0.00 H +ATOM 57 HB3 ARG A 4 -20.308 7.757 5.080 1.00 0.00 H +ATOM 58 HG2 ARG A 4 -18.823 9.579 5.257 1.00 0.00 H +ATOM 59 HG3 ARG A 4 -17.927 9.084 3.820 1.00 0.00 H +ATOM 60 HD2 ARG A 4 -19.342 10.140 2.453 1.00 0.00 H +ATOM 61 HD3 ARG A 4 -20.754 9.491 3.285 1.00 0.00 H +ATOM 62 HE ARG A 4 -19.289 11.766 4.428 1.00 0.00 H +ATOM 63 HH11 ARG A 4 -22.191 10.400 3.073 1.00 0.00 H +ATOM 64 HH12 ARG A 4 -23.188 11.743 3.521 1.00 0.00 H +ATOM 65 HH21 ARG A 4 -20.592 13.540 5.024 1.00 0.00 H +ATOM 66 HH22 ARG A 4 -22.278 13.529 4.631 1.00 0.00 H +ATOM 67 N LYS A 5 -18.060 6.131 7.308 1.00 0.00 N +ATOM 68 CA LYS A 5 -17.726 6.369 8.708 1.00 0.00 C +ATOM 69 C LYS A 5 -16.225 6.582 8.885 1.00 0.00 C +ATOM 70 O LYS A 5 -15.617 6.056 9.816 1.00 0.00 O +ATOM 71 CB LYS A 5 -18.198 5.196 9.572 1.00 0.00 C +ATOM 72 CG LYS A 5 -17.821 5.328 11.039 1.00 0.00 C +ATOM 73 CD LYS A 5 -18.860 6.119 11.814 1.00 0.00 C +ATOM 74 CE LYS A 5 -18.752 5.864 13.308 1.00 0.00 C +ATOM 75 NZ LYS A 5 -17.630 6.628 13.923 1.00 0.00 N +ATOM 76 H LYS A 5 -18.286 5.221 7.019 1.00 0.00 H +ATOM 77 HA LYS A 5 -18.242 7.265 9.022 1.00 0.00 H +ATOM 78 HB2 LYS A 5 -19.274 5.127 9.506 1.00 0.00 H +ATOM 79 HB3 LYS A 5 -17.763 4.285 9.191 1.00 0.00 H +ATOM 80 HG2 LYS A 5 -17.739 4.342 11.470 1.00 0.00 H +ATOM 81 HG3 LYS A 5 -16.869 5.835 11.111 1.00 0.00 H +ATOM 82 HD2 LYS A 5 -18.712 7.172 11.626 1.00 0.00 H +ATOM 83 HD3 LYS A 5 -19.845 5.827 11.478 1.00 0.00 H +ATOM 84 HE2 LYS A 5 -19.678 6.160 13.780 1.00 0.00 H +ATOM 85 HE3 LYS A 5 -18.589 4.809 13.469 1.00 0.00 H +ATOM 86 HZ1 LYS A 5 -17.020 5.987 14.470 1.00 0.00 H +ATOM 87 HZ2 LYS A 5 -18.002 7.362 14.558 1.00 0.00 H +ATOM 88 HZ3 LYS A 5 -17.060 7.084 13.182 1.00 0.00 H +ATOM 89 N ALA A 6 -15.630 7.359 7.985 1.00 0.00 N +ATOM 90 CA ALA A 6 -14.202 7.640 8.048 1.00 0.00 C +ATOM 91 C ALA A 6 -13.941 9.091 8.429 1.00 0.00 C +ATOM 92 O ALA A 6 -14.861 9.828 8.782 1.00 0.00 O +ATOM 93 CB ALA A 6 -13.540 7.321 6.717 1.00 0.00 C +ATOM 94 H ALA A 6 -16.163 7.751 7.265 1.00 0.00 H +ATOM 95 HA ALA A 6 -13.770 6.998 8.800 1.00 0.00 H +ATOM 96 HB1 ALA A 6 -12.469 7.276 6.850 1.00 0.00 H +ATOM 97 HB2 ALA A 6 -13.782 8.093 6.001 1.00 0.00 H +ATOM 98 HB3 ALA A 6 -13.898 6.369 6.355 1.00 0.00 H +ATOM 99 N VAL A 7 -12.678 9.491 8.353 1.00 0.00 N +ATOM 100 CA VAL A 7 -12.283 10.853 8.686 1.00 0.00 C +ATOM 101 C VAL A 7 -11.229 11.363 7.711 1.00 0.00 C +ATOM 102 O VAL A 7 -10.041 11.406 8.032 1.00 0.00 O +ATOM 103 CB VAL A 7 -11.727 10.945 10.119 1.00 0.00 C +ATOM 104 CG1 VAL A 7 -11.248 12.356 10.417 1.00 0.00 C +ATOM 105 CG2 VAL A 7 -12.777 10.505 11.129 1.00 0.00 C +ATOM 106 H VAL A 7 -11.992 8.853 8.063 1.00 0.00 H +ATOM 107 HA VAL A 7 -13.158 11.481 8.617 1.00 0.00 H +ATOM 108 HB VAL A 7 -10.882 10.277 10.198 1.00 0.00 H +ATOM 109 HG11 VAL A 7 -11.952 13.069 10.016 1.00 0.00 H +ATOM 110 HG12 VAL A 7 -10.280 12.511 9.963 1.00 0.00 H +ATOM 111 HG13 VAL A 7 -11.168 12.492 11.486 1.00 0.00 H +ATOM 112 HG21 VAL A 7 -13.077 11.352 11.728 1.00 0.00 H +ATOM 113 HG22 VAL A 7 -12.362 9.740 11.768 1.00 0.00 H +ATOM 114 HG23 VAL A 7 -13.636 10.111 10.606 1.00 0.00 H +ATOM 115 N ILE A 8 -11.669 11.744 6.517 1.00 0.00 N +ATOM 116 CA ILE A 8 -10.761 12.245 5.495 1.00 0.00 C +ATOM 117 C ILE A 8 -9.738 13.204 6.100 1.00 0.00 C +ATOM 118 O ILE A 8 -10.017 13.895 7.080 1.00 0.00 O +ATOM 119 CB ILE A 8 -11.545 12.931 4.336 1.00 0.00 C +ATOM 120 CG1 ILE A 8 -11.702 11.954 3.171 1.00 0.00 C +ATOM 121 CG2 ILE A 8 -10.866 14.214 3.856 1.00 0.00 C +ATOM 122 CD1 ILE A 8 -12.849 10.982 3.347 1.00 0.00 C +ATOM 123 H ILE A 8 -12.627 11.683 6.318 1.00 0.00 H +ATOM 124 HA ILE A 8 -10.234 11.396 5.083 1.00 0.00 H +ATOM 125 HB ILE A 8 -12.524 13.193 4.704 1.00 0.00 H +ATOM 126 HG12 ILE A 8 -11.876 12.512 2.263 1.00 0.00 H +ATOM 127 HG13 ILE A 8 -10.792 11.381 3.067 1.00 0.00 H +ATOM 128 HG21 ILE A 8 -9.886 13.980 3.468 1.00 0.00 H +ATOM 129 HG22 ILE A 8 -10.772 14.903 4.681 1.00 0.00 H +ATOM 130 HG23 ILE A 8 -11.462 14.665 3.076 1.00 0.00 H +ATOM 131 HD11 ILE A 8 -13.517 11.348 4.112 1.00 0.00 H +ATOM 132 HD12 ILE A 8 -12.461 10.017 3.638 1.00 0.00 H +ATOM 133 HD13 ILE A 8 -13.387 10.887 2.415 1.00 0.00 H +ATOM 134 N LYS A 9 -8.556 13.238 5.499 1.00 0.00 N +ATOM 135 CA LYS A 9 -7.482 14.111 5.962 1.00 0.00 C +ATOM 136 C LYS A 9 -6.783 14.764 4.777 1.00 0.00 C +ATOM 137 O LYS A 9 -6.025 15.720 4.935 1.00 0.00 O +ATOM 138 CB LYS A 9 -6.471 13.321 6.797 1.00 0.00 C +ATOM 139 CG LYS A 9 -7.105 12.267 7.689 1.00 0.00 C +ATOM 140 CD LYS A 9 -6.979 12.635 9.159 1.00 0.00 C +ATOM 141 CE LYS A 9 -7.669 11.616 10.052 1.00 0.00 C +ATOM 142 NZ LYS A 9 -6.842 11.267 11.241 1.00 0.00 N +ATOM 143 H LYS A 9 -8.403 12.665 4.716 1.00 0.00 H +ATOM 144 HA LYS A 9 -7.922 14.882 6.576 1.00 0.00 H +ATOM 145 HB2 LYS A 9 -5.778 12.829 6.132 1.00 0.00 H +ATOM 146 HB3 LYS A 9 -5.924 14.010 7.424 1.00 0.00 H +ATOM 147 HG2 LYS A 9 -8.151 12.177 7.439 1.00 0.00 H +ATOM 148 HG3 LYS A 9 -6.609 11.321 7.520 1.00 0.00 H +ATOM 149 HD2 LYS A 9 -5.933 12.678 9.422 1.00 0.00 H +ATOM 150 HD3 LYS A 9 -7.431 13.603 9.318 1.00 0.00 H +ATOM 151 HE2 LYS A 9 -8.610 12.027 10.387 1.00 0.00 H +ATOM 152 HE3 LYS A 9 -7.854 10.720 9.477 1.00 0.00 H +ATOM 153 HZ1 LYS A 9 -7.452 11.130 12.072 1.00 0.00 H +ATOM 154 HZ2 LYS A 9 -6.167 12.031 11.442 1.00 0.00 H +ATOM 155 HZ3 LYS A 9 -6.313 10.390 11.064 1.00 0.00 H +ATOM 156 N ASN A 10 -7.048 14.236 3.587 1.00 0.00 N +ATOM 157 CA ASN A 10 -6.454 14.757 2.363 1.00 0.00 C +ATOM 158 C ASN A 10 -7.004 14.021 1.150 1.00 0.00 C +ATOM 159 O ASN A 10 -6.741 12.833 0.963 1.00 0.00 O +ATOM 160 CB ASN A 10 -4.933 14.615 2.408 1.00 0.00 C +ATOM 161 CG ASN A 10 -4.224 15.955 2.394 1.00 0.00 C +ATOM 162 OD1 ASN A 10 -3.251 16.165 3.120 1.00 0.00 O +ATOM 163 ND2 ASN A 10 -4.706 16.871 1.561 1.00 0.00 N +ATOM 164 H ASN A 10 -7.664 13.473 3.531 1.00 0.00 H +ATOM 165 HA ASN A 10 -6.710 15.803 2.287 1.00 0.00 H +ATOM 166 HB2 ASN A 10 -4.654 14.092 3.310 1.00 0.00 H +ATOM 167 HB3 ASN A 10 -4.607 14.045 1.551 1.00 0.00 H +ATOM 168 HD21 ASN A 10 -5.481 16.635 1.011 1.00 0.00 H +ATOM 169 HD22 ASN A 10 -4.266 17.747 1.531 1.00 0.00 H +ATOM 170 N ALA A 11 -7.773 14.726 0.329 1.00 0.00 N +ATOM 171 CA ALA A 11 -8.359 14.122 -0.859 1.00 0.00 C +ATOM 172 C ALA A 11 -8.142 14.985 -2.094 1.00 0.00 C +ATOM 173 O ALA A 11 -8.157 16.215 -2.024 1.00 0.00 O +ATOM 174 CB ALA A 11 -9.844 13.872 -0.644 1.00 0.00 C +ATOM 175 H ALA A 11 -7.953 15.668 0.530 1.00 0.00 H +ATOM 176 HA ALA A 11 -7.879 13.167 -1.014 1.00 0.00 H +ATOM 177 HB1 ALA A 11 -10.278 13.483 -1.554 1.00 0.00 H +ATOM 178 HB2 ALA A 11 -10.332 14.800 -0.381 1.00 0.00 H +ATOM 179 HB3 ALA A 11 -9.978 13.156 0.152 1.00 0.00 H +ATOM 180 N ASP A 12 -7.952 14.323 -3.227 1.00 0.00 N +ATOM 181 CA ASP A 12 -7.745 15.003 -4.496 1.00 0.00 C +ATOM 182 C ASP A 12 -8.535 14.300 -5.589 1.00 0.00 C +ATOM 183 O ASP A 12 -8.185 14.359 -6.768 1.00 0.00 O +ATOM 184 CB ASP A 12 -6.258 15.040 -4.852 1.00 0.00 C +ATOM 185 CG ASP A 12 -5.728 16.456 -4.965 1.00 0.00 C +ATOM 186 OD1 ASP A 12 -6.316 17.251 -5.726 1.00 0.00 O +ATOM 187 OD2 ASP A 12 -4.724 16.769 -4.291 1.00 0.00 O +ATOM 188 H ASP A 12 -7.963 13.346 -3.211 1.00 0.00 H +ATOM 189 HA ASP A 12 -8.113 16.011 -4.394 1.00 0.00 H +ATOM 190 HB2 ASP A 12 -5.697 14.526 -4.085 1.00 0.00 H +ATOM 191 HB3 ASP A 12 -6.108 14.542 -5.799 1.00 0.00 H +ATOM 192 N MET A 13 -9.604 13.632 -5.176 1.00 0.00 N +ATOM 193 CA MET A 13 -10.463 12.902 -6.098 1.00 0.00 C +ATOM 194 C MET A 13 -11.870 13.489 -6.104 1.00 0.00 C +ATOM 195 O MET A 13 -12.229 14.275 -5.227 1.00 0.00 O +ATOM 196 CB MET A 13 -10.518 11.424 -5.706 1.00 0.00 C +ATOM 197 CG MET A 13 -11.624 10.650 -6.405 1.00 0.00 C +ATOM 198 SD MET A 13 -11.280 8.883 -6.502 1.00 0.00 S +ATOM 199 CE MET A 13 -11.269 8.443 -4.765 1.00 0.00 C +ATOM 200 H MET A 13 -9.820 13.628 -4.220 1.00 0.00 H +ATOM 201 HA MET A 13 -10.042 12.990 -7.087 1.00 0.00 H +ATOM 202 HB2 MET A 13 -9.573 10.962 -5.951 1.00 0.00 H +ATOM 203 HB3 MET A 13 -10.677 11.352 -4.639 1.00 0.00 H +ATOM 204 HG2 MET A 13 -12.545 10.795 -5.860 1.00 0.00 H +ATOM 205 HG3 MET A 13 -11.736 11.037 -7.406 1.00 0.00 H +ATOM 206 HE1 MET A 13 -10.249 8.330 -4.429 1.00 0.00 H +ATOM 207 HE2 MET A 13 -11.799 7.513 -4.626 1.00 0.00 H +ATOM 208 HE3 MET A 13 -11.753 9.222 -4.193 1.00 0.00 H +ATOM 209 N SER A 14 -12.664 13.099 -7.095 1.00 0.00 N +ATOM 210 CA SER A 14 -14.033 13.586 -7.209 1.00 0.00 C +ATOM 211 C SER A 14 -14.787 13.388 -5.898 1.00 0.00 C +ATOM 212 O SER A 14 -14.694 12.334 -5.270 1.00 0.00 O +ATOM 213 CB SER A 14 -14.761 12.863 -8.344 1.00 0.00 C +ATOM 214 OG SER A 14 -14.179 13.168 -9.600 1.00 0.00 O +ATOM 215 H SER A 14 -12.322 12.468 -7.762 1.00 0.00 H +ATOM 216 HA SER A 14 -13.992 14.641 -7.433 1.00 0.00 H +ATOM 217 HB2 SER A 14 -14.702 11.797 -8.184 1.00 0.00 H +ATOM 218 HB3 SER A 14 -15.797 13.168 -8.357 1.00 0.00 H +ATOM 219 HG SER A 14 -14.071 12.360 -10.107 1.00 0.00 H +ATOM 220 N GLU A 15 -15.532 14.408 -5.487 1.00 0.00 N +ATOM 221 CA GLU A 15 -16.298 14.338 -4.248 1.00 0.00 C +ATOM 222 C GLU A 15 -16.966 12.977 -4.103 1.00 0.00 C +ATOM 223 O GLU A 15 -16.497 12.121 -3.352 1.00 0.00 O +ATOM 224 CB GLU A 15 -17.352 15.446 -4.210 1.00 0.00 C +ATOM 225 CG GLU A 15 -17.254 16.335 -2.981 1.00 0.00 C +ATOM 226 CD GLU A 15 -17.949 15.737 -1.775 1.00 0.00 C +ATOM 227 OE1 GLU A 15 -17.930 14.495 -1.633 1.00 0.00 O +ATOM 228 OE2 GLU A 15 -18.513 16.509 -0.972 1.00 0.00 O +ATOM 229 H GLU A 15 -15.567 15.225 -6.027 1.00 0.00 H +ATOM 230 HA GLU A 15 -15.611 14.478 -3.426 1.00 0.00 H +ATOM 231 HB2 GLU A 15 -17.239 16.065 -5.087 1.00 0.00 H +ATOM 232 HB3 GLU A 15 -18.333 14.993 -4.223 1.00 0.00 H +ATOM 233 HG2 GLU A 15 -16.212 16.480 -2.742 1.00 0.00 H +ATOM 234 HG3 GLU A 15 -17.708 17.288 -3.206 1.00 0.00 H +ATOM 235 N GLU A 16 -18.062 12.778 -4.825 1.00 0.00 N +ATOM 236 CA GLU A 16 -18.784 11.514 -4.772 1.00 0.00 C +ATOM 237 C GLU A 16 -17.814 10.341 -4.870 1.00 0.00 C +ATOM 238 O GLU A 16 -18.142 9.217 -4.490 1.00 0.00 O +ATOM 239 CB GLU A 16 -19.816 11.442 -5.897 1.00 0.00 C +ATOM 240 CG GLU A 16 -20.642 12.708 -6.042 1.00 0.00 C +ATOM 241 CD GLU A 16 -20.514 13.336 -7.416 1.00 0.00 C +ATOM 242 OE1 GLU A 16 -19.572 14.131 -7.620 1.00 0.00 O +ATOM 243 OE2 GLU A 16 -21.357 13.035 -8.287 1.00 0.00 O +ATOM 244 H GLU A 16 -18.389 13.494 -5.408 1.00 0.00 H +ATOM 245 HA GLU A 16 -19.294 11.464 -3.821 1.00 0.00 H +ATOM 246 HB2 GLU A 16 -19.303 11.262 -6.831 1.00 0.00 H +ATOM 247 HB3 GLU A 16 -20.489 10.619 -5.701 1.00 0.00 H +ATOM 248 HG2 GLU A 16 -21.680 12.467 -5.869 1.00 0.00 H +ATOM 249 HG3 GLU A 16 -20.312 13.423 -5.303 1.00 0.00 H +ATOM 250 N MET A 17 -16.614 10.616 -5.375 1.00 0.00 N +ATOM 251 CA MET A 17 -15.590 9.587 -5.513 1.00 0.00 C +ATOM 252 C MET A 17 -14.912 9.328 -4.174 1.00 0.00 C +ATOM 253 O MET A 17 -14.663 8.180 -3.802 1.00 0.00 O +ATOM 254 CB MET A 17 -14.549 10.005 -6.556 1.00 0.00 C +ATOM 255 CG MET A 17 -14.931 9.635 -7.980 1.00 0.00 C +ATOM 256 SD MET A 17 -13.790 8.450 -8.722 1.00 0.00 S +ATOM 257 CE MET A 17 -13.685 7.217 -7.427 1.00 0.00 C +ATOM 258 H MET A 17 -16.409 11.533 -5.653 1.00 0.00 H +ATOM 259 HA MET A 17 -16.073 8.679 -5.843 1.00 0.00 H +ATOM 260 HB2 MET A 17 -14.419 11.076 -6.509 1.00 0.00 H +ATOM 261 HB3 MET A 17 -13.610 9.527 -6.322 1.00 0.00 H +ATOM 262 HG2 MET A 17 -15.920 9.204 -7.973 1.00 0.00 H +ATOM 263 HG3 MET A 17 -14.936 10.533 -8.582 1.00 0.00 H +ATOM 264 HE1 MET A 17 -13.150 7.626 -6.583 1.00 0.00 H +ATOM 265 HE2 MET A 17 -13.161 6.349 -7.798 1.00 0.00 H +ATOM 266 HE3 MET A 17 -14.681 6.931 -7.119 1.00 0.00 H +ATOM 267 N GLN A 18 -14.622 10.404 -3.446 1.00 0.00 N +ATOM 268 CA GLN A 18 -13.981 10.293 -2.143 1.00 0.00 C +ATOM 269 C GLN A 18 -14.938 9.677 -1.128 1.00 0.00 C +ATOM 270 O GLN A 18 -14.516 9.012 -0.181 1.00 0.00 O +ATOM 271 CB GLN A 18 -13.512 11.667 -1.657 1.00 0.00 C +ATOM 272 CG GLN A 18 -14.149 12.830 -2.399 1.00 0.00 C +ATOM 273 CD GLN A 18 -13.131 13.856 -2.853 1.00 0.00 C +ATOM 274 OE1 GLN A 18 -13.486 14.917 -3.366 1.00 0.00 O +ATOM 275 NE2 GLN A 18 -11.854 13.543 -2.666 1.00 0.00 N +ATOM 276 H GLN A 18 -14.850 11.291 -3.794 1.00 0.00 H +ATOM 277 HA GLN A 18 -13.123 9.647 -2.248 1.00 0.00 H +ATOM 278 HB2 GLN A 18 -13.749 11.766 -0.608 1.00 0.00 H +ATOM 279 HB3 GLN A 18 -12.442 11.733 -1.784 1.00 0.00 H +ATOM 280 HG2 GLN A 18 -14.667 12.448 -3.266 1.00 0.00 H +ATOM 281 HG3 GLN A 18 -14.857 13.315 -1.742 1.00 0.00 H +ATOM 282 HE21 GLN A 18 -11.644 12.680 -2.250 1.00 0.00 H +ATOM 283 HE22 GLN A 18 -11.172 14.187 -2.951 1.00 0.00 H +ATOM 284 N GLN A 19 -16.233 9.887 -1.347 1.00 0.00 N +ATOM 285 CA GLN A 19 -17.255 9.340 -0.468 1.00 0.00 C +ATOM 286 C GLN A 19 -17.414 7.856 -0.742 1.00 0.00 C +ATOM 287 O GLN A 19 -17.460 7.039 0.177 1.00 0.00 O +ATOM 288 CB GLN A 19 -18.588 10.057 -0.689 1.00 0.00 C +ATOM 289 CG GLN A 19 -19.235 9.720 -2.022 1.00 0.00 C +ATOM 290 CD GLN A 19 -20.694 10.127 -2.087 1.00 0.00 C +ATOM 291 OE1 GLN A 19 -21.383 9.848 -3.068 1.00 0.00 O +ATOM 292 NE2 GLN A 19 -21.174 10.789 -1.040 1.00 0.00 N +ATOM 293 H GLN A 19 -16.508 10.408 -2.127 1.00 0.00 H +ATOM 294 HA GLN A 19 -16.935 9.480 0.552 1.00 0.00 H +ATOM 295 HB2 GLN A 19 -19.271 9.778 0.101 1.00 0.00 H +ATOM 296 HB3 GLN A 19 -18.423 11.124 -0.652 1.00 0.00 H +ATOM 297 HG2 GLN A 19 -18.699 10.233 -2.806 1.00 0.00 H +ATOM 298 HG3 GLN A 19 -19.166 8.654 -2.179 1.00 0.00 H +ATOM 299 HE21 GLN A 19 -20.568 10.977 -0.294 1.00 0.00 H +ATOM 300 HE22 GLN A 19 -22.115 11.063 -1.059 1.00 0.00 H +ATOM 301 N ASP A 20 -17.482 7.519 -2.024 1.00 0.00 N +ATOM 302 CA ASP A 20 -17.617 6.136 -2.440 1.00 0.00 C +ATOM 303 C ASP A 20 -16.349 5.368 -2.093 1.00 0.00 C +ATOM 304 O ASP A 20 -16.389 4.172 -1.804 1.00 0.00 O +ATOM 305 CB ASP A 20 -17.892 6.050 -3.941 1.00 0.00 C +ATOM 306 CG ASP A 20 -19.333 5.691 -4.246 1.00 0.00 C +ATOM 307 OD1 ASP A 20 -20.092 5.421 -3.293 1.00 0.00 O +ATOM 308 OD2 ASP A 20 -19.701 5.678 -5.440 1.00 0.00 O +ATOM 309 H ASP A 20 -17.427 8.221 -2.705 1.00 0.00 H +ATOM 310 HA ASP A 20 -18.446 5.709 -1.900 1.00 0.00 H +ATOM 311 HB2 ASP A 20 -17.675 7.006 -4.396 1.00 0.00 H +ATOM 312 HB3 ASP A 20 -17.251 5.296 -4.376 1.00 0.00 H +ATOM 313 N SER A 21 -15.224 6.077 -2.113 1.00 0.00 N +ATOM 314 CA SER A 21 -13.937 5.480 -1.786 1.00 0.00 C +ATOM 315 C SER A 21 -13.922 5.047 -0.328 1.00 0.00 C +ATOM 316 O SER A 21 -13.531 3.926 -0.003 1.00 0.00 O +ATOM 317 CB SER A 21 -12.805 6.472 -2.053 1.00 0.00 C +ATOM 318 OG SER A 21 -11.560 5.953 -1.620 1.00 0.00 O +ATOM 319 H SER A 21 -15.263 7.029 -2.341 1.00 0.00 H +ATOM 320 HA SER A 21 -13.803 4.610 -2.412 1.00 0.00 H +ATOM 321 HB2 SER A 21 -12.747 6.673 -3.112 1.00 0.00 H +ATOM 322 HB3 SER A 21 -13.002 7.392 -1.522 1.00 0.00 H +ATOM 323 HG SER A 21 -11.655 5.590 -0.737 1.00 0.00 H +ATOM 324 N VAL A 22 -14.363 5.946 0.548 1.00 0.00 N +ATOM 325 CA VAL A 22 -14.414 5.655 1.972 1.00 0.00 C +ATOM 326 C VAL A 22 -15.276 4.428 2.243 1.00 0.00 C +ATOM 327 O VAL A 22 -14.870 3.520 2.968 1.00 0.00 O +ATOM 328 CB VAL A 22 -14.968 6.848 2.771 1.00 0.00 C +ATOM 329 CG1 VAL A 22 -14.966 6.536 4.258 1.00 0.00 C +ATOM 330 CG2 VAL A 22 -14.164 8.106 2.478 1.00 0.00 C +ATOM 331 H VAL A 22 -14.669 6.821 0.226 1.00 0.00 H +ATOM 332 HA VAL A 22 -13.408 5.458 2.309 1.00 0.00 H +ATOM 333 HB VAL A 22 -15.990 7.019 2.463 1.00 0.00 H +ATOM 334 HG11 VAL A 22 -15.969 6.296 4.578 1.00 0.00 H +ATOM 335 HG12 VAL A 22 -14.608 7.395 4.805 1.00 0.00 H +ATOM 336 HG13 VAL A 22 -14.317 5.693 4.448 1.00 0.00 H +ATOM 337 HG21 VAL A 22 -13.397 8.226 3.231 1.00 0.00 H +ATOM 338 HG22 VAL A 22 -14.818 8.964 2.492 1.00 0.00 H +ATOM 339 HG23 VAL A 22 -13.702 8.019 1.506 1.00 0.00 H +ATOM 340 N GLU A 23 -16.465 4.402 1.647 1.00 0.00 N +ATOM 341 CA GLU A 23 -17.379 3.278 1.818 1.00 0.00 C +ATOM 342 C GLU A 23 -16.740 1.994 1.309 1.00 0.00 C +ATOM 343 O GLU A 23 -16.899 0.932 1.907 1.00 0.00 O +ATOM 344 CB GLU A 23 -18.691 3.539 1.076 1.00 0.00 C +ATOM 345 CG GLU A 23 -19.274 4.918 1.337 1.00 0.00 C +ATOM 346 CD GLU A 23 -20.576 5.149 0.595 1.00 0.00 C +ATOM 347 OE1 GLU A 23 -20.810 4.464 -0.422 1.00 0.00 O +ATOM 348 OE2 GLU A 23 -21.363 6.015 1.033 1.00 0.00 O +ATOM 349 H GLU A 23 -16.731 5.153 1.075 1.00 0.00 H +ATOM 350 HA GLU A 23 -17.583 3.171 2.874 1.00 0.00 H +ATOM 351 HB2 GLU A 23 -18.516 3.441 0.015 1.00 0.00 H +ATOM 352 HB3 GLU A 23 -19.417 2.800 1.383 1.00 0.00 H +ATOM 353 HG2 GLU A 23 -19.457 5.023 2.396 1.00 0.00 H +ATOM 354 HG3 GLU A 23 -18.559 5.662 1.021 1.00 0.00 H +ATOM 355 N CYS A 24 -16.004 2.103 0.208 1.00 0.00 N +ATOM 356 CA CYS A 24 -15.326 0.951 -0.370 1.00 0.00 C +ATOM 357 C CYS A 24 -14.236 0.468 0.579 1.00 0.00 C +ATOM 358 O CYS A 24 -13.982 -0.733 0.702 1.00 0.00 O +ATOM 359 CB CYS A 24 -14.721 1.309 -1.729 1.00 0.00 C +ATOM 360 SG CYS A 24 -15.935 1.446 -3.062 1.00 0.00 S +ATOM 361 H CYS A 24 -15.907 2.980 -0.217 1.00 0.00 H +ATOM 362 HA CYS A 24 -16.054 0.163 -0.498 1.00 0.00 H +ATOM 363 HB2 CYS A 24 -14.214 2.258 -1.649 1.00 0.00 H +ATOM 364 HB3 CYS A 24 -14.009 0.547 -2.010 1.00 0.00 H +ATOM 365 HG CYS A 24 -15.827 2.306 -3.474 1.00 0.00 H +ATOM 366 N ALA A 25 -13.621 1.417 1.278 1.00 0.00 N +ATOM 367 CA ALA A 25 -12.587 1.100 2.245 1.00 0.00 C +ATOM 368 C ALA A 25 -13.237 0.419 3.426 1.00 0.00 C +ATOM 369 O ALA A 25 -12.721 -0.553 3.979 1.00 0.00 O +ATOM 370 CB ALA A 25 -11.861 2.364 2.685 1.00 0.00 C +ATOM 371 H ALA A 25 -13.895 2.350 1.164 1.00 0.00 H +ATOM 372 HA ALA A 25 -11.877 0.428 1.785 1.00 0.00 H +ATOM 373 HB1 ALA A 25 -11.944 3.113 1.911 1.00 0.00 H +ATOM 374 HB2 ALA A 25 -10.820 2.140 2.860 1.00 0.00 H +ATOM 375 HB3 ALA A 25 -12.308 2.737 3.596 1.00 0.00 H +ATOM 376 N THR A 26 -14.403 0.937 3.779 1.00 0.00 N +ATOM 377 CA THR A 26 -15.190 0.404 4.868 1.00 0.00 C +ATOM 378 C THR A 26 -15.678 -0.997 4.520 1.00 0.00 C +ATOM 379 O THR A 26 -15.705 -1.889 5.368 1.00 0.00 O +ATOM 380 CB THR A 26 -16.378 1.319 5.139 1.00 0.00 C +ATOM 381 OG1 THR A 26 -15.944 2.582 5.611 1.00 0.00 O +ATOM 382 CG2 THR A 26 -17.341 0.757 6.150 1.00 0.00 C +ATOM 383 H THR A 26 -14.754 1.699 3.271 1.00 0.00 H +ATOM 384 HA THR A 26 -14.566 0.358 5.746 1.00 0.00 H +ATOM 385 HB THR A 26 -16.918 1.469 4.215 1.00 0.00 H +ATOM 386 HG1 THR A 26 -16.676 3.202 5.585 1.00 0.00 H +ATOM 387 HG21 THR A 26 -17.396 1.422 6.999 1.00 0.00 H +ATOM 388 HG22 THR A 26 -16.992 -0.213 6.472 1.00 0.00 H +ATOM 389 HG23 THR A 26 -18.316 0.662 5.700 1.00 0.00 H +ATOM 390 N GLN A 27 -16.053 -1.181 3.256 1.00 0.00 N +ATOM 391 CA GLN A 27 -16.526 -2.472 2.779 1.00 0.00 C +ATOM 392 C GLN A 27 -15.457 -3.528 3.006 1.00 0.00 C +ATOM 393 O GLN A 27 -15.748 -4.645 3.433 1.00 0.00 O +ATOM 394 CB GLN A 27 -16.882 -2.396 1.293 1.00 0.00 C +ATOM 395 CG GLN A 27 -18.167 -1.634 1.011 1.00 0.00 C +ATOM 396 CD GLN A 27 -19.375 -2.259 1.681 1.00 0.00 C +ATOM 397 OE1 GLN A 27 -19.330 -2.618 2.858 1.00 0.00 O +ATOM 398 NE2 GLN A 27 -20.464 -2.393 0.933 1.00 0.00 N +ATOM 399 H GLN A 27 -15.997 -0.432 2.628 1.00 0.00 H +ATOM 400 HA GLN A 27 -17.407 -2.735 3.344 1.00 0.00 H +ATOM 401 HB2 GLN A 27 -16.076 -1.907 0.767 1.00 0.00 H +ATOM 402 HB3 GLN A 27 -16.993 -3.400 0.910 1.00 0.00 H +ATOM 403 HG2 GLN A 27 -18.057 -0.622 1.372 1.00 0.00 H +ATOM 404 HG3 GLN A 27 -18.333 -1.618 -0.057 1.00 0.00 H +ATOM 405 HE21 GLN A 27 -20.427 -2.086 0.003 1.00 0.00 H +ATOM 406 HE22 GLN A 27 -21.261 -2.793 1.341 1.00 0.00 H +ATOM 407 N ALA A 28 -14.213 -3.153 2.734 1.00 0.00 N +ATOM 408 CA ALA A 28 -13.088 -4.052 2.927 1.00 0.00 C +ATOM 409 C ALA A 28 -12.839 -4.253 4.412 1.00 0.00 C +ATOM 410 O ALA A 28 -12.353 -5.298 4.843 1.00 0.00 O +ATOM 411 CB ALA A 28 -11.844 -3.493 2.257 1.00 0.00 C +ATOM 412 H ALA A 28 -14.048 -2.240 2.412 1.00 0.00 H +ATOM 413 HA ALA A 28 -13.328 -5.003 2.471 1.00 0.00 H +ATOM 414 HB1 ALA A 28 -12.123 -2.687 1.594 1.00 0.00 H +ATOM 415 HB2 ALA A 28 -11.357 -4.273 1.691 1.00 0.00 H +ATOM 416 HB3 ALA A 28 -11.168 -3.120 3.010 1.00 0.00 H +ATOM 417 N LEU A 29 -13.182 -3.232 5.189 1.00 0.00 N +ATOM 418 CA LEU A 29 -13.007 -3.271 6.630 1.00 0.00 C +ATOM 419 C LEU A 29 -14.016 -4.211 7.278 1.00 0.00 C +ATOM 420 O LEU A 29 -13.680 -4.972 8.186 1.00 0.00 O +ATOM 421 CB LEU A 29 -13.152 -1.868 7.212 1.00 0.00 C +ATOM 422 CG LEU A 29 -11.945 -0.960 6.994 1.00 0.00 C +ATOM 423 CD1 LEU A 29 -12.378 0.373 6.413 1.00 0.00 C +ATOM 424 CD2 LEU A 29 -11.194 -0.755 8.296 1.00 0.00 C +ATOM 425 H LEU A 29 -13.564 -2.429 4.779 1.00 0.00 H +ATOM 426 HA LEU A 29 -12.011 -3.629 6.830 1.00 0.00 H +ATOM 427 HB2 LEU A 29 -14.016 -1.401 6.762 1.00 0.00 H +ATOM 428 HB3 LEU A 29 -13.321 -1.955 8.275 1.00 0.00 H +ATOM 429 HG LEU A 29 -11.273 -1.428 6.288 1.00 0.00 H +ATOM 430 HD11 LEU A 29 -12.510 1.086 7.212 1.00 0.00 H +ATOM 431 HD12 LEU A 29 -13.310 0.247 5.883 1.00 0.00 H +ATOM 432 HD13 LEU A 29 -11.620 0.730 5.732 1.00 0.00 H +ATOM 433 HD21 LEU A 29 -11.645 -1.357 9.069 1.00 0.00 H +ATOM 434 HD22 LEU A 29 -11.241 0.287 8.576 1.00 0.00 H +ATOM 435 HD23 LEU A 29 -10.163 -1.047 8.166 1.00 0.00 H +ATOM 436 N GLU A 30 -15.256 -4.150 6.805 1.00 0.00 N +ATOM 437 CA GLU A 30 -16.321 -4.993 7.336 1.00 0.00 C +ATOM 438 C GLU A 30 -16.102 -6.456 6.966 1.00 0.00 C +ATOM 439 O GLU A 30 -16.391 -7.355 7.756 1.00 0.00 O +ATOM 440 CB GLU A 30 -17.680 -4.521 6.813 1.00 0.00 C +ATOM 441 CG GLU A 30 -18.435 -3.639 7.792 1.00 0.00 C +ATOM 442 CD GLU A 30 -19.904 -4.000 7.889 1.00 0.00 C +ATOM 443 OE1 GLU A 30 -20.285 -5.076 7.380 1.00 0.00 O +ATOM 444 OE2 GLU A 30 -20.674 -3.208 8.472 1.00 0.00 O +ATOM 445 H GLU A 30 -15.461 -3.522 6.081 1.00 0.00 H +ATOM 446 HA GLU A 30 -16.310 -4.900 8.411 1.00 0.00 H +ATOM 447 HB2 GLU A 30 -17.528 -3.962 5.902 1.00 0.00 H +ATOM 448 HB3 GLU A 30 -18.289 -5.386 6.598 1.00 0.00 H +ATOM 449 HG2 GLU A 30 -17.990 -3.743 8.770 1.00 0.00 H +ATOM 450 HG3 GLU A 30 -18.353 -2.611 7.468 1.00 0.00 H +ATOM 451 N LYS A 31 -15.587 -6.689 5.763 1.00 0.00 N +ATOM 452 CA LYS A 31 -15.330 -8.044 5.293 1.00 0.00 C +ATOM 453 C LYS A 31 -14.030 -8.582 5.881 1.00 0.00 C +ATOM 454 O LYS A 31 -13.852 -9.792 6.016 1.00 0.00 O +ATOM 455 CB LYS A 31 -15.262 -8.075 3.765 1.00 0.00 C +ATOM 456 CG LYS A 31 -16.625 -8.103 3.093 1.00 0.00 C +ATOM 457 CD LYS A 31 -16.697 -7.114 1.941 1.00 0.00 C +ATOM 458 CE LYS A 31 -17.542 -7.650 0.798 1.00 0.00 C +ATOM 459 NZ LYS A 31 -18.907 -7.056 0.792 1.00 0.00 N +ATOM 460 H LYS A 31 -15.374 -5.932 5.179 1.00 0.00 H +ATOM 461 HA LYS A 31 -16.147 -8.670 5.622 1.00 0.00 H +ATOM 462 HB2 LYS A 31 -14.734 -7.198 3.423 1.00 0.00 H +ATOM 463 HB3 LYS A 31 -14.717 -8.956 3.459 1.00 0.00 H +ATOM 464 HG2 LYS A 31 -16.808 -9.097 2.713 1.00 0.00 H +ATOM 465 HG3 LYS A 31 -17.381 -7.850 3.822 1.00 0.00 H +ATOM 466 HD2 LYS A 31 -17.134 -6.193 2.298 1.00 0.00 H +ATOM 467 HD3 LYS A 31 -15.696 -6.925 1.581 1.00 0.00 H +ATOM 468 HE2 LYS A 31 -17.053 -7.415 -0.136 1.00 0.00 H +ATOM 469 HE3 LYS A 31 -17.625 -8.722 0.900 1.00 0.00 H +ATOM 470 HZ1 LYS A 31 -18.912 -6.165 1.328 1.00 0.00 H +ATOM 471 HZ2 LYS A 31 -19.586 -7.714 1.228 1.00 0.00 H +ATOM 472 HZ3 LYS A 31 -19.209 -6.863 -0.184 1.00 0.00 H +ATOM 473 N TYR A 32 -13.127 -7.672 6.229 1.00 0.00 N +ATOM 474 CA TYR A 32 -11.842 -8.052 6.804 1.00 0.00 C +ATOM 475 C TYR A 32 -11.256 -6.909 7.625 1.00 0.00 C +ATOM 476 O TYR A 32 -11.395 -5.740 7.266 1.00 0.00 O +ATOM 477 CB TYR A 32 -10.859 -8.461 5.703 1.00 0.00 C +ATOM 478 CG TYR A 32 -11.483 -8.544 4.327 1.00 0.00 C +ATOM 479 CD1 TYR A 32 -11.545 -7.427 3.504 1.00 0.00 C +ATOM 480 CD2 TYR A 32 -12.007 -9.739 3.853 1.00 0.00 C +ATOM 481 CE1 TYR A 32 -12.114 -7.499 2.248 1.00 0.00 C +ATOM 482 CE2 TYR A 32 -12.577 -9.819 2.597 1.00 0.00 C +ATOM 483 CZ TYR A 32 -12.627 -8.697 1.798 1.00 0.00 C +ATOM 484 OH TYR A 32 -13.193 -8.773 0.547 1.00 0.00 O +ATOM 485 H TYR A 32 -13.329 -6.722 6.096 1.00 0.00 H +ATOM 486 HA TYR A 32 -12.010 -8.897 7.455 1.00 0.00 H +ATOM 487 HB2 TYR A 32 -10.058 -7.739 5.660 1.00 0.00 H +ATOM 488 HB3 TYR A 32 -10.448 -9.432 5.941 1.00 0.00 H +ATOM 489 HD1 TYR A 32 -11.142 -6.490 3.859 1.00 0.00 H +ATOM 490 HD2 TYR A 32 -11.967 -10.616 4.482 1.00 0.00 H +ATOM 491 HE1 TYR A 32 -12.153 -6.619 1.621 1.00 0.00 H +ATOM 492 HE2 TYR A 32 -12.978 -10.758 2.246 1.00 0.00 H +ATOM 493 HH TYR A 32 -13.522 -9.663 0.396 1.00 0.00 H +ATOM 494 N ASN A 33 -10.600 -7.252 8.729 1.00 0.00 N +ATOM 495 CA ASN A 33 -9.993 -6.250 9.599 1.00 0.00 C +ATOM 496 C ASN A 33 -8.472 -6.287 9.493 1.00 0.00 C +ATOM 497 O ASN A 33 -7.765 -5.975 10.451 1.00 0.00 O +ATOM 498 CB ASN A 33 -10.424 -6.473 11.049 1.00 0.00 C +ATOM 499 CG ASN A 33 -11.494 -5.494 11.491 1.00 0.00 C +ATOM 500 OD1 ASN A 33 -12.588 -5.458 10.929 1.00 0.00 O +ATOM 501 ND2 ASN A 33 -11.182 -4.691 12.502 1.00 0.00 N +ATOM 502 H ASN A 33 -10.521 -8.201 8.963 1.00 0.00 H +ATOM 503 HA ASN A 33 -10.339 -5.281 9.275 1.00 0.00 H +ATOM 504 HB2 ASN A 33 -10.813 -7.475 11.153 1.00 0.00 H +ATOM 505 HB3 ASN A 33 -9.565 -6.357 11.695 1.00 0.00 H +ATOM 506 HD21 ASN A 33 -10.291 -4.772 12.901 1.00 0.00 H +ATOM 507 HD22 ASN A 33 -11.858 -4.050 12.809 1.00 0.00 H +ATOM 508 N ILE A 34 -7.978 -6.666 8.320 1.00 0.00 N +ATOM 509 CA ILE A 34 -6.541 -6.741 8.082 1.00 0.00 C +ATOM 510 C ILE A 34 -6.094 -5.652 7.115 1.00 0.00 C +ATOM 511 O ILE A 34 -6.430 -5.693 5.933 1.00 0.00 O +ATOM 512 CB ILE A 34 -6.137 -8.112 7.507 1.00 0.00 C +ATOM 513 CG1 ILE A 34 -6.905 -9.230 8.207 1.00 0.00 C +ATOM 514 CG2 ILE A 34 -4.637 -8.323 7.646 1.00 0.00 C +ATOM 515 CD1 ILE A 34 -6.519 -9.401 9.654 1.00 0.00 C +ATOM 516 H ILE A 34 -8.594 -6.900 7.596 1.00 0.00 H +ATOM 517 HA ILE A 34 -6.035 -6.604 9.028 1.00 0.00 H +ATOM 518 HB ILE A 34 -6.380 -8.122 6.458 1.00 0.00 H +ATOM 519 HG12 ILE A 34 -7.962 -9.011 8.168 1.00 0.00 H +ATOM 520 HG13 ILE A 34 -6.714 -10.163 7.697 1.00 0.00 H +ATOM 521 HG21 ILE A 34 -4.116 -7.680 6.951 1.00 0.00 H +ATOM 522 HG22 ILE A 34 -4.398 -9.354 7.429 1.00 0.00 H +ATOM 523 HG23 ILE A 34 -4.331 -8.087 8.654 1.00 0.00 H +ATOM 524 HD11 ILE A 34 -5.478 -9.146 9.779 1.00 0.00 H +ATOM 525 HD12 ILE A 34 -6.678 -10.427 9.949 1.00 0.00 H +ATOM 526 HD13 ILE A 34 -7.126 -8.750 10.266 1.00 0.00 H +ATOM 527 N GLU A 35 -5.336 -4.684 7.625 1.00 0.00 N +ATOM 528 CA GLU A 35 -4.843 -3.584 6.800 1.00 0.00 C +ATOM 529 C GLU A 35 -4.680 -4.025 5.350 1.00 0.00 C +ATOM 530 O GLU A 35 -5.562 -3.800 4.520 1.00 0.00 O +ATOM 531 CB GLU A 35 -3.509 -3.067 7.343 1.00 0.00 C +ATOM 532 CG GLU A 35 -3.524 -2.791 8.839 1.00 0.00 C +ATOM 533 CD GLU A 35 -2.969 -3.945 9.651 1.00 0.00 C +ATOM 534 OE1 GLU A 35 -3.243 -5.109 9.294 1.00 0.00 O +ATOM 535 OE2 GLU A 35 -2.259 -3.684 10.645 1.00 0.00 O +ATOM 536 H GLU A 35 -5.102 -4.708 8.576 1.00 0.00 H +ATOM 537 HA GLU A 35 -5.571 -2.788 6.842 1.00 0.00 H +ATOM 538 HB2 GLU A 35 -2.743 -3.802 7.143 1.00 0.00 H +ATOM 539 HB3 GLU A 35 -3.257 -2.150 6.832 1.00 0.00 H +ATOM 540 HG2 GLU A 35 -2.928 -1.912 9.036 1.00 0.00 H +ATOM 541 HG3 GLU A 35 -4.543 -2.610 9.147 1.00 0.00 H +ATOM 542 N LYS A 36 -3.554 -4.663 5.051 1.00 0.00 N +ATOM 543 CA LYS A 36 -3.287 -5.143 3.702 1.00 0.00 C +ATOM 544 C LYS A 36 -4.567 -5.661 3.055 1.00 0.00 C +ATOM 545 O LYS A 36 -4.893 -5.303 1.923 1.00 0.00 O +ATOM 546 CB LYS A 36 -2.230 -6.248 3.730 1.00 0.00 C +ATOM 547 CG LYS A 36 -1.456 -6.315 5.038 1.00 0.00 C +ATOM 548 CD LYS A 36 -1.620 -7.666 5.713 1.00 0.00 C +ATOM 549 CE LYS A 36 -0.978 -8.777 4.898 1.00 0.00 C +ATOM 550 NZ LYS A 36 0.450 -8.985 5.271 1.00 0.00 N +ATOM 551 H LYS A 36 -2.890 -4.818 5.755 1.00 0.00 H +ATOM 552 HA LYS A 36 -2.914 -4.312 3.121 1.00 0.00 H +ATOM 553 HB2 LYS A 36 -2.716 -7.200 3.575 1.00 0.00 H +ATOM 554 HB3 LYS A 36 -1.526 -6.079 2.929 1.00 0.00 H +ATOM 555 HG2 LYS A 36 -0.409 -6.150 4.835 1.00 0.00 H +ATOM 556 HG3 LYS A 36 -1.823 -5.544 5.700 1.00 0.00 H +ATOM 557 HD2 LYS A 36 -1.154 -7.631 6.686 1.00 0.00 H +ATOM 558 HD3 LYS A 36 -2.675 -7.875 5.823 1.00 0.00 H +ATOM 559 HE2 LYS A 36 -1.522 -9.693 5.071 1.00 0.00 H +ATOM 560 HE3 LYS A 36 -1.035 -8.517 3.851 1.00 0.00 H +ATOM 561 HZ1 LYS A 36 0.653 -8.518 6.178 1.00 0.00 H +ATOM 562 HZ2 LYS A 36 1.072 -8.585 4.540 1.00 0.00 H +ATOM 563 HZ3 LYS A 36 0.650 -10.001 5.362 1.00 0.00 H +ATOM 564 N ASP A 37 -5.295 -6.501 3.785 1.00 0.00 N +ATOM 565 CA ASP A 37 -6.545 -7.061 3.287 1.00 0.00 C +ATOM 566 C ASP A 37 -7.478 -5.951 2.815 1.00 0.00 C +ATOM 567 O ASP A 37 -7.810 -5.864 1.633 1.00 0.00 O +ATOM 568 CB ASP A 37 -7.227 -7.891 4.378 1.00 0.00 C +ATOM 569 CG ASP A 37 -8.023 -9.049 3.810 1.00 0.00 C +ATOM 570 OD1 ASP A 37 -8.981 -8.794 3.049 1.00 0.00 O +ATOM 571 OD2 ASP A 37 -7.691 -10.211 4.126 1.00 0.00 O +ATOM 572 H ASP A 37 -4.986 -6.744 4.683 1.00 0.00 H +ATOM 573 HA ASP A 37 -6.312 -7.703 2.450 1.00 0.00 H +ATOM 574 HB2 ASP A 37 -6.473 -8.290 5.043 1.00 0.00 H +ATOM 575 HB3 ASP A 37 -7.896 -7.257 4.940 1.00 0.00 H +ATOM 576 N ILE A 38 -7.889 -5.099 3.747 1.00 0.00 N +ATOM 577 CA ILE A 38 -8.774 -3.984 3.432 1.00 0.00 C +ATOM 578 C ILE A 38 -8.296 -3.249 2.186 1.00 0.00 C +ATOM 579 O ILE A 38 -9.082 -2.953 1.285 1.00 0.00 O +ATOM 580 CB ILE A 38 -8.850 -2.985 4.605 1.00 0.00 C +ATOM 581 CG1 ILE A 38 -8.917 -3.733 5.938 1.00 0.00 C +ATOM 582 CG2 ILE A 38 -10.050 -2.066 4.444 1.00 0.00 C +ATOM 583 CD1 ILE A 38 -8.480 -2.897 7.121 1.00 0.00 C +ATOM 584 H ILE A 38 -7.584 -5.217 4.669 1.00 0.00 H +ATOM 585 HA ILE A 38 -9.764 -4.378 3.252 1.00 0.00 H +ATOM 586 HB ILE A 38 -7.958 -2.378 4.587 1.00 0.00 H +ATOM 587 HG12 ILE A 38 -9.935 -4.050 6.114 1.00 0.00 H +ATOM 588 HG13 ILE A 38 -8.277 -4.601 5.889 1.00 0.00 H +ATOM 589 HG21 ILE A 38 -10.958 -2.625 4.618 1.00 0.00 H +ATOM 590 HG22 ILE A 38 -10.062 -1.662 3.442 1.00 0.00 H +ATOM 591 HG23 ILE A 38 -9.983 -1.258 5.158 1.00 0.00 H +ATOM 592 HD11 ILE A 38 -8.045 -3.537 7.873 1.00 0.00 H +ATOM 593 HD12 ILE A 38 -9.336 -2.385 7.535 1.00 0.00 H +ATOM 594 HD13 ILE A 38 -7.747 -2.172 6.798 1.00 0.00 H +ATOM 595 N ALA A 39 -7.000 -2.957 2.144 1.00 0.00 N +ATOM 596 CA ALA A 39 -6.408 -2.259 1.011 1.00 0.00 C +ATOM 597 C ALA A 39 -6.671 -3.008 -0.290 1.00 0.00 C +ATOM 598 O ALA A 39 -7.141 -2.428 -1.268 1.00 0.00 O +ATOM 599 CB ALA A 39 -4.914 -2.080 1.230 1.00 0.00 C +ATOM 600 H ALA A 39 -6.428 -3.222 2.894 1.00 0.00 H +ATOM 601 HA ALA A 39 -6.859 -1.279 0.949 1.00 0.00 H +ATOM 602 HB1 ALA A 39 -4.444 -3.049 1.321 1.00 0.00 H +ATOM 603 HB2 ALA A 39 -4.748 -1.513 2.134 1.00 0.00 H +ATOM 604 HB3 ALA A 39 -4.487 -1.551 0.390 1.00 0.00 H +ATOM 605 N ALA A 40 -6.368 -4.303 -0.292 1.00 0.00 N +ATOM 606 CA ALA A 40 -6.576 -5.132 -1.473 1.00 0.00 C +ATOM 607 C ALA A 40 -8.036 -5.094 -1.910 1.00 0.00 C +ATOM 608 O ALA A 40 -8.344 -4.761 -3.055 1.00 0.00 O +ATOM 609 CB ALA A 40 -6.140 -6.562 -1.197 1.00 0.00 C +ATOM 610 H ALA A 40 -5.999 -4.710 0.520 1.00 0.00 H +ATOM 611 HA ALA A 40 -5.961 -4.739 -2.269 1.00 0.00 H +ATOM 612 HB1 ALA A 40 -5.451 -6.574 -0.366 1.00 0.00 H +ATOM 613 HB2 ALA A 40 -5.655 -6.967 -2.073 1.00 0.00 H +ATOM 614 HB3 ALA A 40 -7.006 -7.162 -0.956 1.00 0.00 H +ATOM 615 N HIS A 41 -8.931 -5.434 -0.989 1.00 0.00 N +ATOM 616 CA HIS A 41 -10.361 -5.434 -1.274 1.00 0.00 C +ATOM 617 C HIS A 41 -10.767 -4.143 -1.980 1.00 0.00 C +ATOM 618 O HIS A 41 -11.482 -4.170 -2.982 1.00 0.00 O +ATOM 619 CB HIS A 41 -11.156 -5.605 0.026 1.00 0.00 C +ATOM 620 CG HIS A 41 -12.584 -5.153 -0.067 1.00 0.00 C +ATOM 621 ND1 HIS A 41 -13.653 -5.971 0.230 1.00 0.00 N +ATOM 622 CD2 HIS A 41 -13.114 -3.957 -0.417 1.00 0.00 C +ATOM 623 CE1 HIS A 41 -14.779 -5.300 0.062 1.00 0.00 C +ATOM 624 NE2 HIS A 41 -14.480 -4.077 -0.329 1.00 0.00 N +ATOM 625 H HIS A 41 -8.622 -5.686 -0.094 1.00 0.00 H +ATOM 626 HA HIS A 41 -10.569 -6.268 -1.927 1.00 0.00 H +ATOM 627 HB2 HIS A 41 -11.161 -6.649 0.300 1.00 0.00 H +ATOM 628 HB3 HIS A 41 -10.677 -5.036 0.809 1.00 0.00 H +ATOM 629 HD1 HIS A 41 -13.595 -6.903 0.527 1.00 0.00 H +ATOM 630 HD2 HIS A 41 -12.565 -3.073 -0.705 1.00 0.00 H +ATOM 631 HE1 HIS A 41 -15.775 -5.688 0.221 1.00 0.00 H +ATOM 632 HE2 HIS A 41 -15.126 -3.358 -0.487 1.00 0.00 H +ATOM 633 N ILE A 42 -10.305 -3.014 -1.451 1.00 0.00 N +ATOM 634 CA ILE A 42 -10.619 -1.713 -2.030 1.00 0.00 C +ATOM 635 C ILE A 42 -10.096 -1.608 -3.459 1.00 0.00 C +ATOM 636 O ILE A 42 -10.869 -1.618 -4.416 1.00 0.00 O +ATOM 637 CB ILE A 42 -10.023 -0.563 -1.193 1.00 0.00 C +ATOM 638 CG1 ILE A 42 -10.468 -0.680 0.267 1.00 0.00 C +ATOM 639 CG2 ILE A 42 -10.436 0.782 -1.772 1.00 0.00 C +ATOM 640 CD1 ILE A 42 -9.665 0.185 1.216 1.00 0.00 C +ATOM 641 H ILE A 42 -9.738 -3.057 -0.652 1.00 0.00 H +ATOM 642 HA ILE A 42 -11.694 -1.603 -2.042 1.00 0.00 H +ATOM 643 HB ILE A 42 -8.947 -0.632 -1.241 1.00 0.00 H +ATOM 644 HG12 ILE A 42 -11.503 -0.383 0.345 1.00 0.00 H +ATOM 645 HG13 ILE A 42 -10.367 -1.707 0.586 1.00 0.00 H +ATOM 646 HG21 ILE A 42 -10.943 0.629 -2.713 1.00 0.00 H +ATOM 647 HG22 ILE A 42 -9.558 1.391 -1.931 1.00 0.00 H +ATOM 648 HG23 ILE A 42 -11.101 1.282 -1.082 1.00 0.00 H +ATOM 649 HD11 ILE A 42 -8.823 -0.378 1.592 1.00 0.00 H +ATOM 650 HD12 ILE A 42 -10.291 0.491 2.042 1.00 0.00 H +ATOM 651 HD13 ILE A 42 -9.309 1.060 0.693 1.00 0.00 H +ATOM 652 N LYS A 43 -8.778 -1.510 -3.594 1.00 0.00 N +ATOM 653 CA LYS A 43 -8.147 -1.402 -4.904 1.00 0.00 C +ATOM 654 C LYS A 43 -8.784 -2.366 -5.904 1.00 0.00 C +ATOM 655 O LYS A 43 -8.995 -2.020 -7.066 1.00 0.00 O +ATOM 656 CB LYS A 43 -6.649 -1.688 -4.792 1.00 0.00 C +ATOM 657 CG LYS A 43 -5.939 -1.747 -6.135 1.00 0.00 C +ATOM 658 CD LYS A 43 -6.174 -3.077 -6.832 1.00 0.00 C +ATOM 659 CE LYS A 43 -6.392 -2.891 -8.324 1.00 0.00 C +ATOM 660 NZ LYS A 43 -6.220 -4.165 -9.075 1.00 0.00 N +ATOM 661 H LYS A 43 -8.215 -1.507 -2.793 1.00 0.00 H +ATOM 662 HA LYS A 43 -8.286 -0.392 -5.259 1.00 0.00 H +ATOM 663 HB2 LYS A 43 -6.189 -0.911 -4.200 1.00 0.00 H +ATOM 664 HB3 LYS A 43 -6.511 -2.637 -4.297 1.00 0.00 H +ATOM 665 HG2 LYS A 43 -6.314 -0.953 -6.764 1.00 0.00 H +ATOM 666 HG3 LYS A 43 -4.879 -1.613 -5.978 1.00 0.00 H +ATOM 667 HD2 LYS A 43 -5.311 -3.709 -6.679 1.00 0.00 H +ATOM 668 HD3 LYS A 43 -7.047 -3.546 -6.404 1.00 0.00 H +ATOM 669 HE2 LYS A 43 -7.393 -2.522 -8.484 1.00 0.00 H +ATOM 670 HE3 LYS A 43 -5.679 -2.167 -8.692 1.00 0.00 H +ATOM 671 HZ1 LYS A 43 -5.225 -4.467 -9.044 1.00 0.00 H +ATOM 672 HZ2 LYS A 43 -6.501 -4.036 -10.067 1.00 0.00 H +ATOM 673 HZ3 LYS A 43 -6.810 -4.911 -8.654 1.00 0.00 H +ATOM 674 N LYS A 44 -9.084 -3.577 -5.444 1.00 0.00 N +ATOM 675 CA LYS A 44 -9.691 -4.593 -6.299 1.00 0.00 C +ATOM 676 C LYS A 44 -10.979 -4.081 -6.933 1.00 0.00 C +ATOM 677 O LYS A 44 -11.086 -3.982 -8.155 1.00 0.00 O +ATOM 678 CB LYS A 44 -9.975 -5.863 -5.494 1.00 0.00 C +ATOM 679 CG LYS A 44 -10.427 -7.037 -6.346 1.00 0.00 C +ATOM 680 CD LYS A 44 -9.251 -7.903 -6.770 1.00 0.00 C +ATOM 681 CE LYS A 44 -9.698 -9.062 -7.647 1.00 0.00 C +ATOM 682 NZ LYS A 44 -8.672 -10.141 -7.709 1.00 0.00 N +ATOM 683 H LYS A 44 -8.888 -3.795 -4.509 1.00 0.00 H +ATOM 684 HA LYS A 44 -8.991 -4.826 -7.083 1.00 0.00 H +ATOM 685 HB2 LYS A 44 -9.075 -6.151 -4.971 1.00 0.00 H +ATOM 686 HB3 LYS A 44 -10.749 -5.651 -4.771 1.00 0.00 H +ATOM 687 HG2 LYS A 44 -11.117 -7.641 -5.774 1.00 0.00 H +ATOM 688 HG3 LYS A 44 -10.922 -6.661 -7.229 1.00 0.00 H +ATOM 689 HD2 LYS A 44 -8.551 -7.296 -7.324 1.00 0.00 H +ATOM 690 HD3 LYS A 44 -8.769 -8.297 -5.887 1.00 0.00 H +ATOM 691 HE2 LYS A 44 -10.613 -9.471 -7.244 1.00 0.00 H +ATOM 692 HE3 LYS A 44 -9.880 -8.692 -8.645 1.00 0.00 H +ATOM 693 HZ1 LYS A 44 -8.256 -10.292 -6.767 1.00 0.00 H +ATOM 694 HZ2 LYS A 44 -7.915 -9.876 -8.370 1.00 0.00 H +ATOM 695 HZ3 LYS A 44 -9.106 -11.029 -8.032 1.00 0.00 H +ATOM 696 N GLU A 45 -11.955 -3.764 -6.094 1.00 0.00 N +ATOM 697 CA GLU A 45 -13.244 -3.269 -6.568 1.00 0.00 C +ATOM 698 C GLU A 45 -13.087 -1.942 -7.305 1.00 0.00 C +ATOM 699 O GLU A 45 -13.596 -1.773 -8.412 1.00 0.00 O +ATOM 700 CB GLU A 45 -14.212 -3.102 -5.396 1.00 0.00 C +ATOM 701 CG GLU A 45 -14.883 -4.398 -4.974 1.00 0.00 C +ATOM 702 CD GLU A 45 -13.898 -5.412 -4.428 1.00 0.00 C +ATOM 703 OE1 GLU A 45 -13.519 -5.294 -3.243 1.00 0.00 O +ATOM 704 OE2 GLU A 45 -13.506 -6.325 -5.185 1.00 0.00 O +ATOM 705 H GLU A 45 -11.808 -3.872 -5.132 1.00 0.00 H +ATOM 706 HA GLU A 45 -13.646 -4.000 -7.252 1.00 0.00 H +ATOM 707 HB2 GLU A 45 -13.670 -2.708 -4.549 1.00 0.00 H +ATOM 708 HB3 GLU A 45 -14.982 -2.398 -5.679 1.00 0.00 H +ATOM 709 HG2 GLU A 45 -15.613 -4.178 -4.209 1.00 0.00 H +ATOM 710 HG3 GLU A 45 -15.380 -4.826 -5.832 1.00 0.00 H +ATOM 711 N PHE A 46 -12.384 -1.002 -6.682 1.00 0.00 N +ATOM 712 CA PHE A 46 -12.167 0.312 -7.277 1.00 0.00 C +ATOM 713 C PHE A 46 -11.540 0.195 -8.663 1.00 0.00 C +ATOM 714 O PHE A 46 -11.842 0.984 -9.558 1.00 0.00 O +ATOM 715 CB PHE A 46 -11.274 1.164 -6.373 1.00 0.00 C +ATOM 716 CG PHE A 46 -12.005 2.294 -5.706 1.00 0.00 C +ATOM 717 CD1 PHE A 46 -12.691 2.090 -4.520 1.00 0.00 C +ATOM 718 CD2 PHE A 46 -12.006 3.562 -6.267 1.00 0.00 C +ATOM 719 CE1 PHE A 46 -13.365 3.127 -3.905 1.00 0.00 C +ATOM 720 CE2 PHE A 46 -12.679 4.603 -5.657 1.00 0.00 C +ATOM 721 CZ PHE A 46 -13.360 4.386 -4.475 1.00 0.00 C +ATOM 722 H PHE A 46 -12.007 -1.195 -5.798 1.00 0.00 H +ATOM 723 HA PHE A 46 -13.129 0.794 -7.371 1.00 0.00 H +ATOM 724 HB2 PHE A 46 -10.855 0.539 -5.599 1.00 0.00 H +ATOM 725 HB3 PHE A 46 -10.474 1.586 -6.962 1.00 0.00 H +ATOM 726 HD1 PHE A 46 -12.695 1.107 -4.073 1.00 0.00 H +ATOM 727 HD2 PHE A 46 -11.475 3.733 -7.192 1.00 0.00 H +ATOM 728 HE1 PHE A 46 -13.896 2.955 -2.981 1.00 0.00 H +ATOM 729 HE2 PHE A 46 -12.673 5.586 -6.104 1.00 0.00 H +ATOM 730 HZ PHE A 46 -13.886 5.198 -3.997 1.00 0.00 H +ATOM 731 N ASP A 47 -10.665 -0.789 -8.833 1.00 0.00 N +ATOM 732 CA ASP A 47 -9.996 -1.003 -10.110 1.00 0.00 C +ATOM 733 C ASP A 47 -10.961 -1.565 -11.148 1.00 0.00 C +ATOM 734 O ASP A 47 -10.902 -1.206 -12.324 1.00 0.00 O +ATOM 735 CB ASP A 47 -8.807 -1.950 -9.935 1.00 0.00 C +ATOM 736 CG ASP A 47 -8.280 -2.469 -11.259 1.00 0.00 C +ATOM 737 OD1 ASP A 47 -9.075 -3.041 -12.032 1.00 0.00 O +ATOM 738 OD2 ASP A 47 -7.069 -2.305 -11.520 1.00 0.00 O +ATOM 739 H ASP A 47 -10.463 -1.386 -8.081 1.00 0.00 H +ATOM 740 HA ASP A 47 -9.632 -0.046 -10.456 1.00 0.00 H +ATOM 741 HB2 ASP A 47 -8.009 -1.427 -9.432 1.00 0.00 H +ATOM 742 HB3 ASP A 47 -9.114 -2.795 -9.335 1.00 0.00 H +ATOM 743 N LYS A 48 -11.849 -2.451 -10.707 1.00 0.00 N +ATOM 744 CA LYS A 48 -12.824 -3.064 -11.601 1.00 0.00 C +ATOM 745 C LYS A 48 -14.186 -2.387 -11.476 1.00 0.00 C +ATOM 746 O LYS A 48 -15.179 -2.870 -12.020 1.00 0.00 O +ATOM 747 CB LYS A 48 -12.959 -4.557 -11.295 1.00 0.00 C +ATOM 748 CG LYS A 48 -12.106 -5.444 -12.188 1.00 0.00 C +ATOM 749 CD LYS A 48 -12.954 -6.463 -12.932 1.00 0.00 C +ATOM 750 CE LYS A 48 -13.952 -5.789 -13.859 1.00 0.00 C +ATOM 751 NZ LYS A 48 -13.666 -6.081 -15.292 1.00 0.00 N +ATOM 752 H LYS A 48 -11.846 -2.700 -9.761 1.00 0.00 H +ATOM 753 HA LYS A 48 -12.465 -2.943 -12.611 1.00 0.00 H +ATOM 754 HB2 LYS A 48 -12.666 -4.729 -10.270 1.00 0.00 H +ATOM 755 HB3 LYS A 48 -13.992 -4.846 -11.419 1.00 0.00 H +ATOM 756 HG2 LYS A 48 -11.591 -4.826 -12.908 1.00 0.00 H +ATOM 757 HG3 LYS A 48 -11.385 -5.966 -11.577 1.00 0.00 H +ATOM 758 HD2 LYS A 48 -12.306 -7.098 -13.518 1.00 0.00 H +ATOM 759 HD3 LYS A 48 -13.492 -7.063 -12.212 1.00 0.00 H +ATOM 760 HE2 LYS A 48 -14.943 -6.145 -13.619 1.00 0.00 H +ATOM 761 HE3 LYS A 48 -13.907 -4.721 -13.701 1.00 0.00 H +ATOM 762 HZ1 LYS A 48 -12.928 -6.810 -15.367 1.00 0.00 H +ATOM 763 HZ2 LYS A 48 -13.340 -5.220 -15.773 1.00 0.00 H +ATOM 764 HZ3 LYS A 48 -14.526 -6.425 -15.765 1.00 0.00 H +ATOM 765 N LYS A 49 -14.226 -1.272 -10.756 1.00 0.00 N +ATOM 766 CA LYS A 49 -15.469 -0.536 -10.561 1.00 0.00 C +ATOM 767 C LYS A 49 -15.294 0.941 -10.902 1.00 0.00 C +ATOM 768 O LYS A 49 -16.206 1.743 -10.708 1.00 0.00 O +ATOM 769 CB LYS A 49 -15.951 -0.682 -9.117 1.00 0.00 C +ATOM 770 CG LYS A 49 -17.459 -0.837 -8.993 1.00 0.00 C +ATOM 771 CD LYS A 49 -18.101 0.419 -8.427 1.00 0.00 C +ATOM 772 CE LYS A 49 -18.952 1.128 -9.468 1.00 0.00 C +ATOM 773 NZ LYS A 49 -20.281 0.478 -9.639 1.00 0.00 N +ATOM 774 H LYS A 49 -13.404 -0.936 -10.345 1.00 0.00 H +ATOM 775 HA LYS A 49 -16.209 -0.959 -11.222 1.00 0.00 H +ATOM 776 HB2 LYS A 49 -15.485 -1.553 -8.680 1.00 0.00 H +ATOM 777 HB3 LYS A 49 -15.653 0.192 -8.559 1.00 0.00 H +ATOM 778 HG2 LYS A 49 -17.872 -1.032 -9.971 1.00 0.00 H +ATOM 779 HG3 LYS A 49 -17.672 -1.668 -8.336 1.00 0.00 H +ATOM 780 HD2 LYS A 49 -18.727 0.146 -7.591 1.00 0.00 H +ATOM 781 HD3 LYS A 49 -17.324 1.091 -8.093 1.00 0.00 H +ATOM 782 HE2 LYS A 49 -19.101 2.152 -9.157 1.00 0.00 H +ATOM 783 HE3 LYS A 49 -18.430 1.113 -10.413 1.00 0.00 H +ATOM 784 HZ1 LYS A 49 -20.466 -0.173 -8.846 1.00 0.00 H +ATOM 785 HZ2 LYS A 49 -20.304 -0.062 -10.527 1.00 0.00 H +ATOM 786 HZ3 LYS A 49 -21.032 1.198 -9.664 1.00 0.00 H +ATOM 787 N TYR A 50 -14.117 1.293 -11.408 1.00 0.00 N +ATOM 788 CA TYR A 50 -13.830 2.676 -11.771 1.00 0.00 C +ATOM 789 C TYR A 50 -12.943 2.744 -13.009 1.00 0.00 C +ATOM 790 O TYR A 50 -13.371 3.207 -14.066 1.00 0.00 O +ATOM 791 CB TYR A 50 -13.149 3.397 -10.607 1.00 0.00 C +ATOM 792 CG TYR A 50 -14.031 3.553 -9.389 1.00 0.00 C +ATOM 793 CD1 TYR A 50 -14.243 2.488 -8.522 1.00 0.00 C +ATOM 794 CD2 TYR A 50 -14.650 4.763 -9.107 1.00 0.00 C +ATOM 795 CE1 TYR A 50 -15.048 2.627 -7.408 1.00 0.00 C +ATOM 796 CE2 TYR A 50 -15.457 4.909 -7.994 1.00 0.00 C +ATOM 797 CZ TYR A 50 -15.653 3.839 -7.148 1.00 0.00 C +ATOM 798 OH TYR A 50 -16.456 3.981 -6.040 1.00 0.00 O +ATOM 799 H TYR A 50 -13.428 0.610 -11.539 1.00 0.00 H +ATOM 800 HA TYR A 50 -14.767 3.165 -11.987 1.00 0.00 H +ATOM 801 HB2 TYR A 50 -12.272 2.840 -10.311 1.00 0.00 H +ATOM 802 HB3 TYR A 50 -12.850 4.383 -10.929 1.00 0.00 H +ATOM 803 HD1 TYR A 50 -13.769 1.540 -8.727 1.00 0.00 H +ATOM 804 HD2 TYR A 50 -14.496 5.600 -9.771 1.00 0.00 H +ATOM 805 HE1 TYR A 50 -15.202 1.788 -6.744 1.00 0.00 H +ATOM 806 HE2 TYR A 50 -15.930 5.859 -7.792 1.00 0.00 H +ATOM 807 HH TYR A 50 -16.492 4.906 -5.787 1.00 0.00 H +ATOM 808 N ASN A 51 -11.705 2.282 -12.868 1.00 0.00 N +ATOM 809 CA ASN A 51 -10.751 2.291 -13.966 1.00 0.00 C +ATOM 810 C ASN A 51 -9.332 2.120 -13.432 1.00 0.00 C +ATOM 811 O ASN A 51 -8.787 3.023 -12.797 1.00 0.00 O +ATOM 812 CB ASN A 51 -10.858 3.593 -14.762 1.00 0.00 C +ATOM 813 CG ASN A 51 -10.082 4.728 -14.123 1.00 0.00 C +ATOM 814 OD1 ASN A 51 -8.861 4.814 -14.259 1.00 0.00 O +ATOM 815 ND2 ASN A 51 -10.787 5.608 -13.424 1.00 0.00 N +ATOM 816 H ASN A 51 -11.422 1.924 -11.999 1.00 0.00 H +ATOM 817 HA ASN A 51 -10.982 1.460 -14.615 1.00 0.00 H +ATOM 818 HB2 ASN A 51 -10.472 3.434 -15.757 1.00 0.00 H +ATOM 819 HB3 ASN A 51 -11.897 3.883 -14.826 1.00 0.00 H +ATOM 820 HD21 ASN A 51 -11.757 5.479 -13.360 1.00 0.00 H +ATOM 821 HD22 ASN A 51 -10.310 6.351 -12.998 1.00 0.00 H +ATOM 822 N PRO A 52 -8.711 0.954 -13.673 1.00 0.00 N +ATOM 823 CA PRO A 52 -7.353 0.677 -13.205 1.00 0.00 C +ATOM 824 C PRO A 52 -6.383 1.820 -13.514 1.00 0.00 C +ATOM 825 O PRO A 52 -6.553 2.522 -14.511 1.00 0.00 O +ATOM 826 CB PRO A 52 -6.964 -0.576 -13.982 1.00 0.00 C +ATOM 827 CG PRO A 52 -8.252 -1.269 -14.253 1.00 0.00 C +ATOM 828 CD PRO A 52 -9.283 -0.186 -14.418 1.00 0.00 C +ATOM 829 HA PRO A 52 -7.336 0.467 -12.145 1.00 0.00 H +ATOM 830 HB2 PRO A 52 -6.468 -0.293 -14.898 1.00 0.00 H +ATOM 831 HB3 PRO A 52 -6.308 -1.185 -13.381 1.00 0.00 H +ATOM 832 HG2 PRO A 52 -8.170 -1.850 -15.159 1.00 0.00 H +ATOM 833 HG3 PRO A 52 -8.508 -1.905 -13.419 1.00 0.00 H +ATOM 834 HD2 PRO A 52 -9.407 0.059 -15.463 1.00 0.00 H +ATOM 835 HD3 PRO A 52 -10.224 -0.493 -13.987 1.00 0.00 H +ATOM 836 N THR A 53 -5.359 2.014 -12.667 1.00 0.00 N +ATOM 837 CA THR A 53 -5.141 1.192 -11.478 1.00 0.00 C +ATOM 838 C THR A 53 -5.189 2.047 -10.217 1.00 0.00 C +ATOM 839 O THR A 53 -4.622 3.137 -10.175 1.00 0.00 O +ATOM 840 CB THR A 53 -3.798 0.470 -11.568 1.00 0.00 C +ATOM 841 OG1 THR A 53 -3.626 -0.408 -10.471 1.00 0.00 O +ATOM 842 CG2 THR A 53 -2.621 1.414 -11.590 1.00 0.00 C +ATOM 843 H THR A 53 -4.732 2.741 -12.852 1.00 0.00 H +ATOM 844 HA THR A 53 -5.928 0.462 -11.433 1.00 0.00 H +ATOM 845 HB THR A 53 -3.773 -0.112 -12.479 1.00 0.00 H +ATOM 846 HG1 THR A 53 -3.321 -1.262 -10.789 1.00 0.00 H +ATOM 847 HG21 THR A 53 -2.496 1.854 -10.612 1.00 0.00 H +ATOM 848 HG22 THR A 53 -2.801 2.195 -12.315 1.00 0.00 H +ATOM 849 HG23 THR A 53 -1.729 0.871 -11.859 1.00 0.00 H +ATOM 850 N TRP A 54 -5.879 1.550 -9.196 1.00 0.00 N +ATOM 851 CA TRP A 54 -6.010 2.280 -7.942 1.00 0.00 C +ATOM 852 C TRP A 54 -4.987 1.818 -6.910 1.00 0.00 C +ATOM 853 O TRP A 54 -4.919 0.638 -6.569 1.00 0.00 O +ATOM 854 CB TRP A 54 -7.421 2.110 -7.378 1.00 0.00 C +ATOM 855 CG TRP A 54 -8.488 2.656 -8.275 1.00 0.00 C +ATOM 856 CD1 TRP A 54 -8.895 2.141 -9.472 1.00 0.00 C +ATOM 857 CD2 TRP A 54 -9.284 3.824 -8.047 1.00 0.00 C +ATOM 858 NE1 TRP A 54 -9.895 2.919 -10.003 1.00 0.00 N +ATOM 859 CE2 TRP A 54 -10.151 3.957 -9.146 1.00 0.00 C +ATOM 860 CE3 TRP A 54 -9.346 4.770 -7.020 1.00 0.00 C +ATOM 861 CZ2 TRP A 54 -11.071 4.999 -9.246 1.00 0.00 C +ATOM 862 CZ3 TRP A 54 -10.259 5.802 -7.120 1.00 0.00 C +ATOM 863 CH2 TRP A 54 -11.110 5.910 -8.226 1.00 0.00 C +ATOM 864 H TRP A 54 -6.317 0.679 -9.292 1.00 0.00 H +ATOM 865 HA TRP A 54 -5.844 3.326 -8.151 1.00 0.00 H +ATOM 866 HB2 TRP A 54 -7.618 1.058 -7.229 1.00 0.00 H +ATOM 867 HB3 TRP A 54 -7.486 2.622 -6.429 1.00 0.00 H +ATOM 868 HD1 TRP A 54 -8.480 1.253 -9.924 1.00 0.00 H +ATOM 869 HE1 TRP A 54 -10.350 2.754 -10.855 1.00 0.00 H +ATOM 870 HE3 TRP A 54 -8.698 4.703 -6.159 1.00 0.00 H +ATOM 871 HZ2 TRP A 54 -11.735 5.095 -10.092 1.00 0.00 H +ATOM 872 HZ3 TRP A 54 -10.321 6.543 -6.336 1.00 0.00 H +ATOM 873 HH2 TRP A 54 -11.807 6.734 -8.263 1.00 0.00 H +ATOM 874 N HIS A 55 -4.209 2.767 -6.398 1.00 0.00 N +ATOM 875 CA HIS A 55 -3.206 2.474 -5.382 1.00 0.00 C +ATOM 876 C HIS A 55 -3.669 3.030 -4.041 1.00 0.00 C +ATOM 877 O HIS A 55 -3.594 4.235 -3.802 1.00 0.00 O +ATOM 878 CB HIS A 55 -1.853 3.080 -5.761 1.00 0.00 C +ATOM 879 CG HIS A 55 -1.719 3.398 -7.218 1.00 0.00 C +ATOM 880 ND1 HIS A 55 -0.863 4.365 -7.700 1.00 0.00 N +ATOM 881 CD2 HIS A 55 -2.336 2.871 -8.302 1.00 0.00 C +ATOM 882 CE1 HIS A 55 -0.959 4.420 -9.016 1.00 0.00 C +ATOM 883 NE2 HIS A 55 -1.845 3.524 -9.406 1.00 0.00 N +ATOM 884 H HIS A 55 -4.326 3.693 -6.699 1.00 0.00 H +ATOM 885 HA HIS A 55 -3.110 1.401 -5.304 1.00 0.00 H +ATOM 886 HB2 HIS A 55 -1.710 3.996 -5.208 1.00 0.00 H +ATOM 887 HB3 HIS A 55 -1.070 2.383 -5.499 1.00 0.00 H +ATOM 888 HD1 HIS A 55 -0.271 4.927 -7.157 1.00 0.00 H +ATOM 889 HD2 HIS A 55 -3.077 2.083 -8.299 1.00 0.00 H +ATOM 890 HE1 HIS A 55 -0.405 5.084 -9.662 1.00 0.00 H +ATOM 891 HE2 HIS A 55 -2.177 3.420 -10.323 1.00 0.00 H +ATOM 892 N CYS A 56 -4.174 2.154 -3.180 1.00 0.00 N +ATOM 893 CA CYS A 56 -4.678 2.582 -1.882 1.00 0.00 C +ATOM 894 C CYS A 56 -3.887 1.982 -0.724 1.00 0.00 C +ATOM 895 O CYS A 56 -3.325 0.891 -0.831 1.00 0.00 O +ATOM 896 CB CYS A 56 -6.152 2.207 -1.746 1.00 0.00 C +ATOM 897 SG CYS A 56 -6.436 0.514 -1.179 1.00 0.00 S +ATOM 898 H CYS A 56 -4.229 1.207 -3.431 1.00 0.00 H +ATOM 899 HA CYS A 56 -4.591 3.655 -1.837 1.00 0.00 H +ATOM 900 HB2 CYS A 56 -6.621 2.872 -1.035 1.00 0.00 H +ATOM 901 HB3 CYS A 56 -6.634 2.318 -2.705 1.00 0.00 H +ATOM 902 HG CYS A 56 -7.368 0.426 -0.960 1.00 0.00 H +ATOM 903 N ILE A 57 -3.870 2.709 0.388 1.00 0.00 N +ATOM 904 CA ILE A 57 -3.174 2.272 1.595 1.00 0.00 C +ATOM 905 C ILE A 57 -4.092 2.387 2.809 1.00 0.00 C +ATOM 906 O ILE A 57 -4.436 3.489 3.236 1.00 0.00 O +ATOM 907 CB ILE A 57 -1.900 3.103 1.855 1.00 0.00 C +ATOM 908 CG1 ILE A 57 -1.023 3.160 0.598 1.00 0.00 C +ATOM 909 CG2 ILE A 57 -1.121 2.529 3.031 1.00 0.00 C +ATOM 910 CD1 ILE A 57 -0.779 1.813 -0.048 1.00 0.00 C +ATOM 911 H ILE A 57 -4.350 3.564 0.399 1.00 0.00 H +ATOM 912 HA ILE A 57 -2.889 1.238 1.464 1.00 0.00 H +ATOM 913 HB ILE A 57 -2.202 4.106 2.116 1.00 0.00 H +ATOM 914 HG12 ILE A 57 -1.497 3.793 -0.135 1.00 0.00 H +ATOM 915 HG13 ILE A 57 -0.062 3.580 0.860 1.00 0.00 H +ATOM 916 HG21 ILE A 57 -1.798 2.327 3.848 1.00 0.00 H +ATOM 917 HG22 ILE A 57 -0.374 3.241 3.351 1.00 0.00 H +ATOM 918 HG23 ILE A 57 -0.637 1.612 2.730 1.00 0.00 H +ATOM 919 HD11 ILE A 57 -0.948 1.889 -1.111 1.00 0.00 H +ATOM 920 HD12 ILE A 57 -1.454 1.084 0.373 1.00 0.00 H +ATOM 921 HD13 ILE A 57 0.241 1.507 0.134 1.00 0.00 H +ATOM 922 N VAL A 58 -4.492 1.244 3.358 1.00 0.00 N +ATOM 923 CA VAL A 58 -5.377 1.222 4.519 1.00 0.00 C +ATOM 924 C VAL A 58 -4.618 0.860 5.789 1.00 0.00 C +ATOM 925 O VAL A 58 -4.019 -0.210 5.878 1.00 0.00 O +ATOM 926 CB VAL A 58 -6.529 0.220 4.327 1.00 0.00 C +ATOM 927 CG1 VAL A 58 -5.982 -1.139 3.931 1.00 0.00 C +ATOM 928 CG2 VAL A 58 -7.364 0.118 5.594 1.00 0.00 C +ATOM 929 H VAL A 58 -4.189 0.396 2.971 1.00 0.00 H +ATOM 930 HA VAL A 58 -5.803 2.206 4.633 1.00 0.00 H +ATOM 931 HB VAL A 58 -7.162 0.576 3.529 1.00 0.00 H +ATOM 932 HG11 VAL A 58 -6.234 -1.340 2.901 1.00 0.00 H +ATOM 933 HG12 VAL A 58 -6.413 -1.899 4.565 1.00 0.00 H +ATOM 934 HG13 VAL A 58 -4.907 -1.141 4.046 1.00 0.00 H +ATOM 935 HG21 VAL A 58 -8.407 0.262 5.351 1.00 0.00 H +ATOM 936 HG22 VAL A 58 -7.051 0.878 6.295 1.00 0.00 H +ATOM 937 HG23 VAL A 58 -7.229 -0.858 6.036 1.00 0.00 H +ATOM 938 N GLY A 59 -4.654 1.753 6.771 1.00 0.00 N +ATOM 939 CA GLY A 59 -3.969 1.505 8.023 1.00 0.00 C +ATOM 940 C GLY A 59 -4.466 2.405 9.133 1.00 0.00 C +ATOM 941 O GLY A 59 -5.310 3.272 8.906 1.00 0.00 O +ATOM 942 H GLY A 59 -5.156 2.585 6.648 1.00 0.00 H +ATOM 943 HA2 GLY A 59 -4.125 0.474 8.310 1.00 0.00 H +ATOM 944 HA3 GLY A 59 -2.911 1.673 7.883 1.00 0.00 H +ATOM 945 N ARG A 60 -3.949 2.200 10.339 1.00 0.00 N +ATOM 946 CA ARG A 60 -4.355 3.004 11.483 1.00 0.00 C +ATOM 947 C ARG A 60 -3.157 3.385 12.345 1.00 0.00 C +ATOM 948 O ARG A 60 -3.236 3.365 13.574 1.00 0.00 O +ATOM 949 CB ARG A 60 -5.381 2.245 12.324 1.00 0.00 C +ATOM 950 CG ARG A 60 -5.136 0.746 12.375 1.00 0.00 C +ATOM 951 CD ARG A 60 -6.373 -0.004 12.841 1.00 0.00 C +ATOM 952 NE ARG A 60 -6.246 -0.469 14.219 1.00 0.00 N +ATOM 953 CZ ARG A 60 -7.254 -0.982 14.917 1.00 0.00 C +ATOM 954 NH1 ARG A 60 -8.454 -1.100 14.365 1.00 0.00 N +ATOM 955 NH2 ARG A 60 -7.063 -1.377 16.169 1.00 0.00 N +ATOM 956 H ARG A 60 -3.283 1.492 10.460 1.00 0.00 H +ATOM 957 HA ARG A 60 -4.813 3.906 11.107 1.00 0.00 H +ATOM 958 HB2 ARG A 60 -5.354 2.629 13.332 1.00 0.00 H +ATOM 959 HB3 ARG A 60 -6.362 2.414 11.908 1.00 0.00 H +ATOM 960 HG2 ARG A 60 -4.869 0.400 11.389 1.00 0.00 H +ATOM 961 HG3 ARG A 60 -4.325 0.546 13.061 1.00 0.00 H +ATOM 962 HD2 ARG A 60 -7.225 0.655 12.771 1.00 0.00 H +ATOM 963 HD3 ARG A 60 -6.526 -0.857 12.196 1.00 0.00 H +ATOM 964 HE ARG A 60 -5.367 -0.394 14.646 1.00 0.00 H +ATOM 965 HH11 ARG A 60 -8.602 -0.803 13.422 1.00 0.00 H +ATOM 966 HH12 ARG A 60 -9.211 -1.487 14.892 1.00 0.00 H +ATOM 967 HH21 ARG A 60 -6.160 -1.289 16.589 1.00 0.00 H +ATOM 968 HH22 ARG A 60 -7.822 -1.762 16.693 1.00 0.00 H +ATOM 969 N ASN A 61 -2.051 3.737 11.699 1.00 0.00 N +ATOM 970 CA ASN A 61 -0.845 4.128 12.417 1.00 0.00 C +ATOM 971 C ASN A 61 0.350 4.213 11.480 1.00 0.00 C +ATOM 972 O ASN A 61 1.497 4.070 11.904 1.00 0.00 O +ATOM 973 CB ASN A 61 -0.552 3.143 13.550 1.00 0.00 C +ATOM 974 CG ASN A 61 0.171 3.795 14.711 1.00 0.00 C +ATOM 975 OD1 ASN A 61 1.401 3.808 14.764 1.00 0.00 O +ATOM 976 ND2 ASN A 61 -0.592 4.342 15.650 1.00 0.00 N +ATOM 977 H ASN A 61 -2.049 3.738 10.719 1.00 0.00 H +ATOM 978 HA ASN A 61 -1.018 5.104 12.839 1.00 0.00 H +ATOM 979 HB2 ASN A 61 -1.484 2.734 13.913 1.00 0.00 H +ATOM 980 HB3 ASN A 61 0.064 2.341 13.170 1.00 0.00 H +ATOM 981 HD21 ASN A 61 -1.565 4.294 15.542 1.00 0.00 H +ATOM 982 HD22 ASN A 61 -0.151 4.773 16.412 1.00 0.00 H +ATOM 983 N PHE A 62 0.077 4.452 10.205 1.00 0.00 N +ATOM 984 CA PHE A 62 1.129 4.563 9.209 1.00 0.00 C +ATOM 985 C PHE A 62 1.272 6.006 8.738 1.00 0.00 C +ATOM 986 O PHE A 62 0.729 6.927 9.348 1.00 0.00 O +ATOM 987 CB PHE A 62 0.825 3.653 8.022 1.00 0.00 C +ATOM 988 CG PHE A 62 -0.166 4.243 7.063 1.00 0.00 C +ATOM 989 CD1 PHE A 62 -1.527 4.074 7.258 1.00 0.00 C +ATOM 990 CD2 PHE A 62 0.266 4.973 5.971 1.00 0.00 C +ATOM 991 CE1 PHE A 62 -2.439 4.622 6.375 1.00 0.00 C +ATOM 992 CE2 PHE A 62 -0.639 5.524 5.087 1.00 0.00 C +ATOM 993 CZ PHE A 62 -1.994 5.349 5.288 1.00 0.00 C +ATOM 994 H PHE A 62 -0.857 4.560 9.927 1.00 0.00 H +ATOM 995 HA PHE A 62 2.055 4.249 9.666 1.00 0.00 H +ATOM 996 HB2 PHE A 62 1.739 3.460 7.480 1.00 0.00 H +ATOM 997 HB3 PHE A 62 0.423 2.718 8.385 1.00 0.00 H +ATOM 998 HD1 PHE A 62 -1.874 3.506 8.108 1.00 0.00 H +ATOM 999 HD2 PHE A 62 1.325 5.109 5.811 1.00 0.00 H +ATOM 1000 HE1 PHE A 62 -3.497 4.485 6.538 1.00 0.00 H +ATOM 1001 HE2 PHE A 62 -0.287 6.092 4.239 1.00 0.00 H +ATOM 1002 HZ PHE A 62 -2.704 5.780 4.599 1.00 0.00 H +ATOM 1003 N GLY A 63 2.004 6.192 7.648 1.00 0.00 N +ATOM 1004 CA GLY A 63 2.208 7.521 7.101 1.00 0.00 C +ATOM 1005 C GLY A 63 2.412 7.491 5.601 1.00 0.00 C +ATOM 1006 O GLY A 63 3.488 7.133 5.121 1.00 0.00 O +ATOM 1007 H GLY A 63 2.410 5.417 7.205 1.00 0.00 H +ATOM 1008 HA2 GLY A 63 1.343 8.128 7.326 1.00 0.00 H +ATOM 1009 HA3 GLY A 63 3.078 7.963 7.564 1.00 0.00 H +ATOM 1010 N SER A 64 1.373 7.854 4.857 1.00 0.00 N +ATOM 1011 CA SER A 64 1.445 7.852 3.402 1.00 0.00 C +ATOM 1012 C SER A 64 2.017 9.160 2.867 1.00 0.00 C +ATOM 1013 O SER A 64 1.628 10.247 3.296 1.00 0.00 O +ATOM 1014 CB SER A 64 0.062 7.604 2.796 1.00 0.00 C +ATOM 1015 OG SER A 64 -0.846 8.632 3.154 1.00 0.00 O +ATOM 1016 H SER A 64 0.539 8.121 5.296 1.00 0.00 H +ATOM 1017 HA SER A 64 2.100 7.046 3.108 1.00 0.00 H +ATOM 1018 HB2 SER A 64 0.144 7.572 1.719 1.00 0.00 H +ATOM 1019 HB3 SER A 64 -0.321 6.659 3.153 1.00 0.00 H +ATOM 1020 HG SER A 64 -0.752 9.368 2.545 1.00 0.00 H +ATOM 1021 N TYR A 65 2.939 9.039 1.919 1.00 0.00 N +ATOM 1022 CA TYR A 65 3.570 10.198 1.302 1.00 0.00 C +ATOM 1023 C TYR A 65 3.960 9.877 -0.137 1.00 0.00 C +ATOM 1024 O TYR A 65 5.079 9.437 -0.409 1.00 0.00 O +ATOM 1025 CB TYR A 65 4.803 10.626 2.100 1.00 0.00 C +ATOM 1026 CG TYR A 65 5.452 11.891 1.582 1.00 0.00 C +ATOM 1027 CD1 TYR A 65 6.447 11.838 0.615 1.00 0.00 C +ATOM 1028 CD2 TYR A 65 5.068 13.137 2.060 1.00 0.00 C +ATOM 1029 CE1 TYR A 65 7.043 12.991 0.140 1.00 0.00 C +ATOM 1030 CE2 TYR A 65 5.657 14.294 1.590 1.00 0.00 C +ATOM 1031 CZ TYR A 65 6.644 14.216 0.631 1.00 0.00 C +ATOM 1032 OH TYR A 65 7.234 15.367 0.160 1.00 0.00 O +ATOM 1033 H TYR A 65 3.196 8.143 1.619 1.00 0.00 H +ATOM 1034 HA TYR A 65 2.854 11.005 1.297 1.00 0.00 H +ATOM 1035 HB2 TYR A 65 4.517 10.797 3.126 1.00 0.00 H +ATOM 1036 HB3 TYR A 65 5.540 9.836 2.064 1.00 0.00 H +ATOM 1037 HD1 TYR A 65 6.757 10.876 0.233 1.00 0.00 H +ATOM 1038 HD2 TYR A 65 4.295 13.195 2.813 1.00 0.00 H +ATOM 1039 HE1 TYR A 65 7.816 12.929 -0.612 1.00 0.00 H +ATOM 1040 HE2 TYR A 65 5.344 15.254 1.975 1.00 0.00 H +ATOM 1041 HH TYR A 65 8.035 15.142 -0.318 1.00 0.00 H +ATOM 1042 N VAL A 66 3.023 10.088 -1.053 1.00 0.00 N +ATOM 1043 CA VAL A 66 3.257 9.814 -2.464 1.00 0.00 C +ATOM 1044 C VAL A 66 2.800 10.978 -3.335 1.00 0.00 C +ATOM 1045 O VAL A 66 2.114 11.886 -2.866 1.00 0.00 O +ATOM 1046 CB VAL A 66 2.522 8.534 -2.906 1.00 0.00 C +ATOM 1047 CG1 VAL A 66 2.869 7.376 -1.982 1.00 0.00 C +ATOM 1048 CG2 VAL A 66 1.020 8.766 -2.939 1.00 0.00 C +ATOM 1049 H VAL A 66 2.148 10.431 -0.771 1.00 0.00 H +ATOM 1050 HA VAL A 66 4.316 9.663 -2.605 1.00 0.00 H +ATOM 1051 HB VAL A 66 2.850 8.281 -3.903 1.00 0.00 H +ATOM 1052 HG11 VAL A 66 2.110 7.284 -1.219 1.00 0.00 H +ATOM 1053 HG12 VAL A 66 3.826 7.561 -1.516 1.00 0.00 H +ATOM 1054 HG13 VAL A 66 2.917 6.461 -2.554 1.00 0.00 H +ATOM 1055 HG21 VAL A 66 0.513 7.824 -3.089 1.00 0.00 H +ATOM 1056 HG22 VAL A 66 0.777 9.439 -3.748 1.00 0.00 H +ATOM 1057 HG23 VAL A 66 0.702 9.200 -2.001 1.00 0.00 H +ATOM 1058 N THR A 67 3.185 10.944 -4.605 1.00 0.00 N +ATOM 1059 CA THR A 67 2.815 11.997 -5.543 1.00 0.00 C +ATOM 1060 C THR A 67 1.521 11.647 -6.271 1.00 0.00 C +ATOM 1061 O THR A 67 1.547 11.136 -7.391 1.00 0.00 O +ATOM 1062 CB THR A 67 3.937 12.225 -6.555 1.00 0.00 C +ATOM 1063 OG1 THR A 67 3.649 13.339 -7.381 1.00 0.00 O +ATOM 1064 CG2 THR A 67 4.171 11.035 -7.454 1.00 0.00 C +ATOM 1065 H THR A 67 3.731 10.194 -4.920 1.00 0.00 H +ATOM 1066 HA THR A 67 2.664 12.902 -4.982 1.00 0.00 H +ATOM 1067 HB THR A 67 4.855 12.424 -6.022 1.00 0.00 H +ATOM 1068 HG1 THR A 67 3.280 13.035 -8.213 1.00 0.00 H +ATOM 1069 HG21 THR A 67 4.366 11.378 -8.459 1.00 0.00 H +ATOM 1070 HG22 THR A 67 3.294 10.407 -7.452 1.00 0.00 H +ATOM 1071 HG23 THR A 67 5.020 10.473 -7.094 1.00 0.00 H +ATOM 1072 N HIS A 68 0.391 11.928 -5.633 1.00 0.00 N +ATOM 1073 CA HIS A 68 -0.905 11.643 -6.229 1.00 0.00 C +ATOM 1074 C HIS A 68 -1.025 12.315 -7.591 1.00 0.00 C +ATOM 1075 O HIS A 68 -0.093 12.975 -8.049 1.00 0.00 O +ATOM 1076 CB HIS A 68 -2.026 12.120 -5.306 1.00 0.00 C +ATOM 1077 CG HIS A 68 -2.192 13.607 -5.290 1.00 0.00 C +ATOM 1078 ND1 HIS A 68 -1.289 14.461 -4.694 1.00 0.00 N +ATOM 1079 CD2 HIS A 68 -3.165 14.391 -5.804 1.00 0.00 C +ATOM 1080 CE1 HIS A 68 -1.702 15.708 -4.842 1.00 0.00 C +ATOM 1081 NE2 HIS A 68 -2.838 15.692 -5.514 1.00 0.00 N +ATOM 1082 H HIS A 68 0.429 12.339 -4.745 1.00 0.00 H +ATOM 1083 HA HIS A 68 -0.986 10.574 -6.357 1.00 0.00 H +ATOM 1084 HB2 HIS A 68 -2.960 11.686 -5.630 1.00 0.00 H +ATOM 1085 HB3 HIS A 68 -1.816 11.797 -4.297 1.00 0.00 H +ATOM 1086 HD1 HIS A 68 -0.467 14.193 -4.231 1.00 0.00 H +ATOM 1087 HD2 HIS A 68 -4.036 14.055 -6.346 1.00 0.00 H +ATOM 1088 HE1 HIS A 68 -1.195 16.589 -4.478 1.00 0.00 H +ATOM 1089 HE2 HIS A 68 -3.416 16.470 -5.662 1.00 0.00 H +ATOM 1090 N GLU A 69 -2.172 12.145 -8.236 1.00 0.00 N +ATOM 1091 CA GLU A 69 -2.399 12.739 -9.547 1.00 0.00 C +ATOM 1092 C GLU A 69 -3.752 12.326 -10.113 1.00 0.00 C +ATOM 1093 O GLU A 69 -4.599 11.787 -9.399 1.00 0.00 O +ATOM 1094 CB GLU A 69 -1.285 12.330 -10.513 1.00 0.00 C +ATOM 1095 CG GLU A 69 -0.650 10.990 -10.177 1.00 0.00 C +ATOM 1096 CD GLU A 69 0.429 10.591 -11.164 1.00 0.00 C +ATOM 1097 OE1 GLU A 69 1.591 11.008 -10.974 1.00 0.00 O +ATOM 1098 OE2 GLU A 69 0.114 9.860 -12.127 1.00 0.00 O +ATOM 1099 H GLU A 69 -2.880 11.607 -7.824 1.00 0.00 H +ATOM 1100 HA GLU A 69 -2.384 13.812 -9.431 1.00 0.00 H +ATOM 1101 HB2 GLU A 69 -1.695 12.270 -11.511 1.00 0.00 H +ATOM 1102 HB3 GLU A 69 -0.513 13.085 -10.494 1.00 0.00 H +ATOM 1103 HG2 GLU A 69 -0.210 11.052 -9.193 1.00 0.00 H +ATOM 1104 HG3 GLU A 69 -1.419 10.232 -10.181 1.00 0.00 H +ATOM 1105 N THR A 70 -3.944 12.582 -11.402 1.00 0.00 N +ATOM 1106 CA THR A 70 -5.192 12.239 -12.072 1.00 0.00 C +ATOM 1107 C THR A 70 -6.374 12.933 -11.405 1.00 0.00 C +ATOM 1108 O THR A 70 -6.627 14.114 -11.640 1.00 0.00 O +ATOM 1109 CB THR A 70 -5.398 10.725 -12.062 1.00 0.00 C +ATOM 1110 OG1 THR A 70 -4.153 10.051 -12.032 1.00 0.00 O +ATOM 1111 CG2 THR A 70 -6.168 10.218 -13.262 1.00 0.00 C +ATOM 1112 H THR A 70 -3.230 13.012 -11.915 1.00 0.00 H +ATOM 1113 HA THR A 70 -5.121 12.577 -13.095 1.00 0.00 H +ATOM 1114 HB THR A 70 -5.953 10.454 -11.175 1.00 0.00 H +ATOM 1115 HG1 THR A 70 -3.441 10.688 -12.121 1.00 0.00 H +ATOM 1116 HG21 THR A 70 -5.898 10.798 -14.134 1.00 0.00 H +ATOM 1117 HG22 THR A 70 -7.228 10.316 -13.078 1.00 0.00 H +ATOM 1118 HG23 THR A 70 -5.925 9.179 -13.432 1.00 0.00 H +ATOM 1119 N LYS A 71 -7.094 12.192 -10.569 1.00 0.00 N +ATOM 1120 CA LYS A 71 -8.248 12.738 -9.866 1.00 0.00 C +ATOM 1121 C LYS A 71 -8.906 11.677 -8.989 1.00 0.00 C +ATOM 1122 O LYS A 71 -10.111 11.724 -8.741 1.00 0.00 O +ATOM 1123 CB LYS A 71 -9.267 13.291 -10.866 1.00 0.00 C +ATOM 1124 CG LYS A 71 -9.344 14.810 -10.883 1.00 0.00 C +ATOM 1125 CD LYS A 71 -10.114 15.316 -12.092 1.00 0.00 C +ATOM 1126 CE LYS A 71 -9.209 15.477 -13.302 1.00 0.00 C +ATOM 1127 NZ LYS A 71 -9.131 14.227 -14.109 1.00 0.00 N +ATOM 1128 H LYS A 71 -6.842 11.256 -10.421 1.00 0.00 H +ATOM 1129 HA LYS A 71 -7.901 13.544 -9.236 1.00 0.00 H +ATOM 1130 HB2 LYS A 71 -9.002 12.954 -11.856 1.00 0.00 H +ATOM 1131 HB3 LYS A 71 -10.245 12.907 -10.614 1.00 0.00 H +ATOM 1132 HG2 LYS A 71 -9.841 15.146 -9.985 1.00 0.00 H +ATOM 1133 HG3 LYS A 71 -8.340 15.209 -10.913 1.00 0.00 H +ATOM 1134 HD2 LYS A 71 -10.895 14.608 -12.330 1.00 0.00 H +ATOM 1135 HD3 LYS A 71 -10.553 16.272 -11.851 1.00 0.00 H +ATOM 1136 HE2 LYS A 71 -9.597 16.271 -13.922 1.00 0.00 H +ATOM 1137 HE3 LYS A 71 -8.218 15.739 -12.961 1.00 0.00 H +ATOM 1138 HZ1 LYS A 71 -8.784 13.443 -13.520 1.00 0.00 H +ATOM 1139 HZ2 LYS A 71 -8.480 14.359 -14.909 1.00 0.00 H +ATOM 1140 HZ3 LYS A 71 -10.072 13.981 -14.478 1.00 0.00 H +ATOM 1141 N HIS A 72 -8.110 10.719 -8.524 1.00 0.00 N +ATOM 1142 CA HIS A 72 -8.623 9.648 -7.678 1.00 0.00 C +ATOM 1143 C HIS A 72 -7.667 9.342 -6.528 1.00 0.00 C +ATOM 1144 O HIS A 72 -7.263 8.196 -6.333 1.00 0.00 O +ATOM 1145 CB HIS A 72 -8.861 8.387 -8.509 1.00 0.00 C +ATOM 1146 CG HIS A 72 -9.542 8.652 -9.816 1.00 0.00 C +ATOM 1147 ND1 HIS A 72 -10.778 8.133 -10.140 1.00 0.00 N +ATOM 1148 CD2 HIS A 72 -9.154 9.389 -10.883 1.00 0.00 C +ATOM 1149 CE1 HIS A 72 -11.120 8.539 -11.350 1.00 0.00 C +ATOM 1150 NE2 HIS A 72 -10.152 9.302 -11.823 1.00 0.00 N +ATOM 1151 H HIS A 72 -7.158 10.732 -8.757 1.00 0.00 H +ATOM 1152 HA HIS A 72 -9.565 9.977 -7.266 1.00 0.00 H +ATOM 1153 HB2 HIS A 72 -7.911 7.919 -8.720 1.00 0.00 H +ATOM 1154 HB3 HIS A 72 -9.478 7.703 -7.944 1.00 0.00 H +ATOM 1155 HD1 HIS A 72 -11.324 7.553 -9.569 1.00 0.00 H +ATOM 1156 HD2 HIS A 72 -8.231 9.943 -10.978 1.00 0.00 H +ATOM 1157 HE1 HIS A 72 -12.036 8.289 -11.865 1.00 0.00 H +ATOM 1158 HE2 HIS A 72 -10.107 9.657 -12.735 1.00 0.00 H +ATOM 1159 N PHE A 73 -7.317 10.373 -5.764 1.00 0.00 N +ATOM 1160 CA PHE A 73 -6.416 10.212 -4.628 1.00 0.00 C +ATOM 1161 C PHE A 73 -7.068 10.752 -3.358 1.00 0.00 C +ATOM 1162 O PHE A 73 -6.922 11.929 -3.031 1.00 0.00 O +ATOM 1163 CB PHE A 73 -5.086 10.930 -4.897 1.00 0.00 C +ATOM 1164 CG PHE A 73 -4.371 11.389 -3.654 1.00 0.00 C +ATOM 1165 CD1 PHE A 73 -3.819 10.470 -2.776 1.00 0.00 C +ATOM 1166 CD2 PHE A 73 -4.258 12.740 -3.363 1.00 0.00 C +ATOM 1167 CE1 PHE A 73 -3.165 10.890 -1.633 1.00 0.00 C +ATOM 1168 CE2 PHE A 73 -3.606 13.165 -2.222 1.00 0.00 C +ATOM 1169 CZ PHE A 73 -3.059 12.239 -1.355 1.00 0.00 C +ATOM 1170 H PHE A 73 -7.677 11.262 -5.966 1.00 0.00 H +ATOM 1171 HA PHE A 73 -6.228 9.156 -4.501 1.00 0.00 H +ATOM 1172 HB2 PHE A 73 -4.426 10.260 -5.426 1.00 0.00 H +ATOM 1173 HB3 PHE A 73 -5.274 11.798 -5.512 1.00 0.00 H +ATOM 1174 HD1 PHE A 73 -3.901 9.416 -2.991 1.00 0.00 H +ATOM 1175 HD2 PHE A 73 -4.686 13.465 -4.041 1.00 0.00 H +ATOM 1176 HE1 PHE A 73 -2.738 10.164 -0.957 1.00 0.00 H +ATOM 1177 HE2 PHE A 73 -3.524 14.221 -2.007 1.00 0.00 H +ATOM 1178 HZ PHE A 73 -2.549 12.569 -0.462 1.00 0.00 H +ATOM 1179 N ILE A 74 -7.788 9.892 -2.647 1.00 0.00 N +ATOM 1180 CA ILE A 74 -8.460 10.303 -1.423 1.00 0.00 C +ATOM 1181 C ILE A 74 -7.803 9.697 -0.190 1.00 0.00 C +ATOM 1182 O ILE A 74 -7.376 8.543 -0.203 1.00 0.00 O +ATOM 1183 CB ILE A 74 -9.946 9.901 -1.428 1.00 0.00 C +ATOM 1184 CG1 ILE A 74 -10.670 10.595 -0.262 1.00 0.00 C +ATOM 1185 CG2 ILE A 74 -10.072 8.381 -1.353 1.00 0.00 C +ATOM 1186 CD1 ILE A 74 -11.968 9.935 0.167 1.00 0.00 C +ATOM 1187 H ILE A 74 -7.872 8.964 -2.954 1.00 0.00 H +ATOM 1188 HA ILE A 74 -8.403 11.380 -1.357 1.00 0.00 H +ATOM 1189 HB ILE A 74 -10.381 10.228 -2.360 1.00 0.00 H +ATOM 1190 HG12 ILE A 74 -10.016 10.612 0.596 1.00 0.00 H +ATOM 1191 HG13 ILE A 74 -10.898 11.611 -0.550 1.00 0.00 H +ATOM 1192 HG21 ILE A 74 -11.091 8.094 -1.566 1.00 0.00 H +ATOM 1193 HG22 ILE A 74 -9.802 8.045 -0.363 1.00 0.00 H +ATOM 1194 HG23 ILE A 74 -9.412 7.929 -2.079 1.00 0.00 H +ATOM 1195 HD11 ILE A 74 -12.592 10.661 0.667 1.00 0.00 H +ATOM 1196 HD12 ILE A 74 -11.750 9.121 0.843 1.00 0.00 H +ATOM 1197 HD13 ILE A 74 -12.482 9.555 -0.702 1.00 0.00 H +ATOM 1198 N TYR A 75 -7.745 10.481 0.878 1.00 0.00 N +ATOM 1199 CA TYR A 75 -7.163 10.027 2.134 1.00 0.00 C +ATOM 1200 C TYR A 75 -8.106 10.337 3.289 1.00 0.00 C +ATOM 1201 O TYR A 75 -8.613 11.452 3.406 1.00 0.00 O +ATOM 1202 CB TYR A 75 -5.803 10.684 2.372 1.00 0.00 C +ATOM 1203 CG TYR A 75 -4.978 9.991 3.432 1.00 0.00 C +ATOM 1204 CD1 TYR A 75 -4.563 8.675 3.266 1.00 0.00 C +ATOM 1205 CD2 TYR A 75 -4.616 10.651 4.599 1.00 0.00 C +ATOM 1206 CE1 TYR A 75 -3.810 8.038 4.233 1.00 0.00 C +ATOM 1207 CE2 TYR A 75 -3.863 10.020 5.571 1.00 0.00 C +ATOM 1208 CZ TYR A 75 -3.462 8.714 5.384 1.00 0.00 C +ATOM 1209 OH TYR A 75 -2.712 8.084 6.349 1.00 0.00 O +ATOM 1210 H TYR A 75 -8.117 11.386 0.827 1.00 0.00 H +ATOM 1211 HA TYR A 75 -7.032 8.956 2.068 1.00 0.00 H +ATOM 1212 HB2 TYR A 75 -5.240 10.673 1.451 1.00 0.00 H +ATOM 1213 HB3 TYR A 75 -5.955 11.707 2.683 1.00 0.00 H +ATOM 1214 HD1 TYR A 75 -4.836 8.148 2.364 1.00 0.00 H +ATOM 1215 HD2 TYR A 75 -4.932 11.673 4.743 1.00 0.00 H +ATOM 1216 HE1 TYR A 75 -3.497 7.015 4.086 1.00 0.00 H +ATOM 1217 HE2 TYR A 75 -3.591 10.551 6.472 1.00 0.00 H +ATOM 1218 HH TYR A 75 -1.936 8.611 6.548 1.00 0.00 H +ATOM 1219 N PHE A 76 -8.347 9.344 4.135 1.00 0.00 N +ATOM 1220 CA PHE A 76 -9.242 9.516 5.271 1.00 0.00 C +ATOM 1221 C PHE A 76 -8.905 8.537 6.390 1.00 0.00 C +ATOM 1222 O PHE A 76 -7.988 7.726 6.265 1.00 0.00 O +ATOM 1223 CB PHE A 76 -10.692 9.321 4.826 1.00 0.00 C +ATOM 1224 CG PHE A 76 -10.870 8.189 3.853 1.00 0.00 C +ATOM 1225 CD1 PHE A 76 -10.415 8.303 2.549 1.00 0.00 C +ATOM 1226 CD2 PHE A 76 -11.488 7.013 4.245 1.00 0.00 C +ATOM 1227 CE1 PHE A 76 -10.574 7.264 1.653 1.00 0.00 C +ATOM 1228 CE2 PHE A 76 -11.651 5.971 3.352 1.00 0.00 C +ATOM 1229 CZ PHE A 76 -11.193 6.096 2.055 1.00 0.00 C +ATOM 1230 H PHE A 76 -7.922 8.475 3.987 1.00 0.00 H +ATOM 1231 HA PHE A 76 -9.121 10.524 5.640 1.00 0.00 H +ATOM 1232 HB2 PHE A 76 -11.304 9.115 5.691 1.00 0.00 H +ATOM 1233 HB3 PHE A 76 -11.041 10.227 4.351 1.00 0.00 H +ATOM 1234 HD1 PHE A 76 -9.931 9.215 2.234 1.00 0.00 H +ATOM 1235 HD2 PHE A 76 -11.847 6.914 5.258 1.00 0.00 H +ATOM 1236 HE1 PHE A 76 -10.216 7.364 0.638 1.00 0.00 H +ATOM 1237 HE2 PHE A 76 -12.135 5.058 3.668 1.00 0.00 H +ATOM 1238 HZ PHE A 76 -11.319 5.282 1.355 1.00 0.00 H +ATOM 1239 N TYR A 77 -9.654 8.620 7.482 1.00 0.00 N +ATOM 1240 CA TYR A 77 -9.439 7.743 8.625 1.00 0.00 C +ATOM 1241 C TYR A 77 -10.770 7.255 9.188 1.00 0.00 C +ATOM 1242 O TYR A 77 -11.479 7.999 9.866 1.00 0.00 O +ATOM 1243 CB TYR A 77 -8.646 8.472 9.711 1.00 0.00 C +ATOM 1244 CG TYR A 77 -8.244 7.583 10.864 1.00 0.00 C +ATOM 1245 CD1 TYR A 77 -9.169 7.209 11.831 1.00 0.00 C +ATOM 1246 CD2 TYR A 77 -6.942 7.114 10.987 1.00 0.00 C +ATOM 1247 CE1 TYR A 77 -8.809 6.394 12.887 1.00 0.00 C +ATOM 1248 CE2 TYR A 77 -6.573 6.298 12.041 1.00 0.00 C +ATOM 1249 CZ TYR A 77 -7.510 5.942 12.987 1.00 0.00 C +ATOM 1250 OH TYR A 77 -7.148 5.130 14.037 1.00 0.00 O +ATOM 1251 H TYR A 77 -10.370 9.288 7.521 1.00 0.00 H +ATOM 1252 HA TYR A 77 -8.870 6.890 8.286 1.00 0.00 H +ATOM 1253 HB2 TYR A 77 -7.745 8.880 9.276 1.00 0.00 H +ATOM 1254 HB3 TYR A 77 -9.248 9.278 10.105 1.00 0.00 H +ATOM 1255 HD1 TYR A 77 -10.185 7.565 11.750 1.00 0.00 H +ATOM 1256 HD2 TYR A 77 -6.209 7.396 10.245 1.00 0.00 H +ATOM 1257 HE1 TYR A 77 -9.543 6.115 13.628 1.00 0.00 H +ATOM 1258 HE2 TYR A 77 -5.556 5.944 12.120 1.00 0.00 H +ATOM 1259 HH TYR A 77 -7.451 4.234 13.868 1.00 0.00 H +ATOM 1260 N LEU A 78 -11.105 6.001 8.901 1.00 0.00 N +ATOM 1261 CA LEU A 78 -12.353 5.417 9.376 1.00 0.00 C +ATOM 1262 C LEU A 78 -12.429 5.449 10.898 1.00 0.00 C +ATOM 1263 O LEU A 78 -11.469 5.822 11.573 1.00 0.00 O +ATOM 1264 CB LEU A 78 -12.497 3.979 8.876 1.00 0.00 C +ATOM 1265 CG LEU A 78 -12.970 3.843 7.429 1.00 0.00 C +ATOM 1266 CD1 LEU A 78 -14.447 4.191 7.316 1.00 0.00 C +ATOM 1267 CD2 LEU A 78 -12.142 4.729 6.512 1.00 0.00 C +ATOM 1268 H LEU A 78 -10.500 5.458 8.353 1.00 0.00 H +ATOM 1269 HA LEU A 78 -13.164 6.006 8.978 1.00 0.00 H +ATOM 1270 HB2 LEU A 78 -11.537 3.493 8.968 1.00 0.00 H +ATOM 1271 HB3 LEU A 78 -13.204 3.469 9.512 1.00 0.00 H +ATOM 1272 HG LEU A 78 -12.845 2.819 7.109 1.00 0.00 H +ATOM 1273 HD11 LEU A 78 -14.997 3.685 8.097 1.00 0.00 H +ATOM 1274 HD12 LEU A 78 -14.817 3.877 6.352 1.00 0.00 H +ATOM 1275 HD13 LEU A 78 -14.572 5.258 7.421 1.00 0.00 H +ATOM 1276 HD21 LEU A 78 -11.535 4.111 5.867 1.00 0.00 H +ATOM 1277 HD22 LEU A 78 -11.503 5.365 7.107 1.00 0.00 H +ATOM 1278 HD23 LEU A 78 -12.800 5.340 5.911 1.00 0.00 H +ATOM 1279 N GLY A 79 -13.581 5.059 11.430 1.00 0.00 N +ATOM 1280 CA GLY A 79 -13.776 5.050 12.867 1.00 0.00 C +ATOM 1281 C GLY A 79 -12.502 4.748 13.633 1.00 0.00 C +ATOM 1282 O GLY A 79 -12.202 5.406 14.630 1.00 0.00 O +ATOM 1283 H GLY A 79 -14.310 4.777 10.840 1.00 0.00 H +ATOM 1284 HA2 GLY A 79 -14.145 6.017 13.174 1.00 0.00 H +ATOM 1285 HA3 GLY A 79 -14.515 4.301 13.113 1.00 0.00 H +ATOM 1286 N GLN A 80 -11.754 3.749 13.175 1.00 0.00 N +ATOM 1287 CA GLN A 80 -10.511 3.364 13.836 1.00 0.00 C +ATOM 1288 C GLN A 80 -9.462 2.908 12.824 1.00 0.00 C +ATOM 1289 O GLN A 80 -8.567 2.130 13.156 1.00 0.00 O +ATOM 1290 CB GLN A 80 -10.777 2.247 14.849 1.00 0.00 C +ATOM 1291 CG GLN A 80 -9.543 1.820 15.625 1.00 0.00 C +ATOM 1292 CD GLN A 80 -8.977 2.935 16.481 1.00 0.00 C +ATOM 1293 OE1 GLN A 80 -7.761 3.063 16.630 1.00 0.00 O +ATOM 1294 NE2 GLN A 80 -9.856 3.751 17.052 1.00 0.00 N +ATOM 1295 H GLN A 80 -12.046 3.257 12.379 1.00 0.00 H +ATOM 1296 HA GLN A 80 -10.135 4.228 14.361 1.00 0.00 H +ATOM 1297 HB2 GLN A 80 -11.520 2.588 15.555 1.00 0.00 H +ATOM 1298 HB3 GLN A 80 -11.162 1.385 14.324 1.00 0.00 H +ATOM 1299 HG2 GLN A 80 -9.805 0.993 16.268 1.00 0.00 H +ATOM 1300 HG3 GLN A 80 -8.784 1.504 14.924 1.00 0.00 H +ATOM 1301 HE21 GLN A 80 -10.810 3.588 16.891 1.00 0.00 H +ATOM 1302 HE22 GLN A 80 -9.517 4.479 17.613 1.00 0.00 H +ATOM 1303 N VAL A 81 -9.577 3.392 11.593 1.00 0.00 N +ATOM 1304 CA VAL A 81 -8.638 3.029 10.540 1.00 0.00 C +ATOM 1305 C VAL A 81 -8.424 4.188 9.571 1.00 0.00 C +ATOM 1306 O VAL A 81 -9.035 5.246 9.709 1.00 0.00 O +ATOM 1307 CB VAL A 81 -9.137 1.802 9.758 1.00 0.00 C +ATOM 1308 CG1 VAL A 81 -8.046 1.264 8.847 1.00 0.00 C +ATOM 1309 CG2 VAL A 81 -9.620 0.724 10.715 1.00 0.00 C +ATOM 1310 H VAL A 81 -10.313 4.005 11.385 1.00 0.00 H +ATOM 1311 HA VAL A 81 -7.694 2.779 10.999 1.00 0.00 H +ATOM 1312 HB VAL A 81 -9.971 2.109 9.146 1.00 0.00 H +ATOM 1313 HG11 VAL A 81 -8.315 1.445 7.818 1.00 0.00 H +ATOM 1314 HG12 VAL A 81 -7.934 0.201 9.009 1.00 0.00 H +ATOM 1315 HG13 VAL A 81 -7.114 1.761 9.069 1.00 0.00 H +ATOM 1316 HG21 VAL A 81 -8.832 0.003 10.872 1.00 0.00 H +ATOM 1317 HG22 VAL A 81 -10.483 0.228 10.294 1.00 0.00 H +ATOM 1318 HG23 VAL A 81 -9.889 1.174 11.660 1.00 0.00 H +ATOM 1319 N ALA A 82 -7.552 3.980 8.590 1.00 0.00 N +ATOM 1320 CA ALA A 82 -7.259 5.004 7.599 1.00 0.00 C +ATOM 1321 C ALA A 82 -7.091 4.388 6.217 1.00 0.00 C +ATOM 1322 O ALA A 82 -6.738 3.215 6.088 1.00 0.00 O +ATOM 1323 CB ALA A 82 -6.009 5.778 7.992 1.00 0.00 C +ATOM 1324 H ALA A 82 -7.095 3.116 8.531 1.00 0.00 H +ATOM 1325 HA ALA A 82 -8.089 5.694 7.577 1.00 0.00 H +ATOM 1326 HB1 ALA A 82 -6.016 5.954 9.058 1.00 0.00 H +ATOM 1327 HB2 ALA A 82 -5.994 6.724 7.472 1.00 0.00 H +ATOM 1328 HB3 ALA A 82 -5.133 5.207 7.727 1.00 0.00 H +ATOM 1329 N ILE A 83 -7.350 5.182 5.185 1.00 0.00 N +ATOM 1330 CA ILE A 83 -7.231 4.707 3.813 1.00 0.00 C +ATOM 1331 C ILE A 83 -6.598 5.766 2.917 1.00 0.00 C +ATOM 1332 O ILE A 83 -6.926 6.950 3.007 1.00 0.00 O +ATOM 1333 CB ILE A 83 -8.601 4.305 3.231 1.00 0.00 C +ATOM 1334 CG1 ILE A 83 -9.615 4.063 4.356 1.00 0.00 C +ATOM 1335 CG2 ILE A 83 -8.463 3.063 2.362 1.00 0.00 C +ATOM 1336 CD1 ILE A 83 -9.343 2.809 5.160 1.00 0.00 C +ATOM 1337 H ILE A 83 -7.630 6.107 5.349 1.00 0.00 H +ATOM 1338 HA ILE A 83 -6.596 3.832 3.819 1.00 0.00 H +ATOM 1339 HB ILE A 83 -8.954 5.112 2.607 1.00 0.00 H +ATOM 1340 HG12 ILE A 83 -9.593 4.902 5.036 1.00 0.00 H +ATOM 1341 HG13 ILE A 83 -10.603 3.978 3.929 1.00 0.00 H +ATOM 1342 HG21 ILE A 83 -8.467 3.349 1.321 1.00 0.00 H +ATOM 1343 HG22 ILE A 83 -9.290 2.395 2.556 1.00 0.00 H +ATOM 1344 HG23 ILE A 83 -7.535 2.562 2.595 1.00 0.00 H +ATOM 1345 HD11 ILE A 83 -8.283 2.718 5.339 1.00 0.00 H +ATOM 1346 HD12 ILE A 83 -9.688 1.946 4.609 1.00 0.00 H +ATOM 1347 HD13 ILE A 83 -9.865 2.866 6.104 1.00 0.00 H +ATOM 1348 N LEU A 84 -5.685 5.331 2.055 1.00 0.00 N +ATOM 1349 CA LEU A 84 -4.995 6.234 1.141 1.00 0.00 C +ATOM 1350 C LEU A 84 -5.220 5.807 -0.306 1.00 0.00 C +ATOM 1351 O LEU A 84 -4.377 5.138 -0.902 1.00 0.00 O +ATOM 1352 CB LEU A 84 -3.498 6.253 1.459 1.00 0.00 C +ATOM 1353 CG LEU A 84 -2.591 6.699 0.311 1.00 0.00 C +ATOM 1354 CD1 LEU A 84 -2.492 8.212 0.269 1.00 0.00 C +ATOM 1355 CD2 LEU A 84 -1.209 6.081 0.456 1.00 0.00 C +ATOM 1356 H LEU A 84 -5.467 4.376 2.037 1.00 0.00 H +ATOM 1357 HA LEU A 84 -5.401 7.225 1.281 1.00 0.00 H +ATOM 1358 HB2 LEU A 84 -3.339 6.921 2.294 1.00 0.00 H +ATOM 1359 HB3 LEU A 84 -3.202 5.259 1.755 1.00 0.00 H +ATOM 1360 HG LEU A 84 -3.013 6.364 -0.625 1.00 0.00 H +ATOM 1361 HD11 LEU A 84 -2.142 8.576 1.224 1.00 0.00 H +ATOM 1362 HD12 LEU A 84 -3.466 8.630 0.059 1.00 0.00 H +ATOM 1363 HD13 LEU A 84 -1.799 8.505 -0.504 1.00 0.00 H +ATOM 1364 HD21 LEU A 84 -0.513 6.830 0.804 1.00 0.00 H +ATOM 1365 HD22 LEU A 84 -0.881 5.703 -0.501 1.00 0.00 H +ATOM 1366 HD23 LEU A 84 -1.250 5.269 1.168 1.00 0.00 H +ATOM 1367 N LEU A 85 -6.365 6.194 -0.866 1.00 0.00 N +ATOM 1368 CA LEU A 85 -6.700 5.842 -2.240 1.00 0.00 C +ATOM 1369 C LEU A 85 -6.115 6.844 -3.227 1.00 0.00 C +ATOM 1370 O LEU A 85 -6.333 8.049 -3.106 1.00 0.00 O +ATOM 1371 CB LEU A 85 -8.219 5.774 -2.415 1.00 0.00 C +ATOM 1372 CG LEU A 85 -8.754 4.427 -2.904 1.00 0.00 C +ATOM 1373 CD1 LEU A 85 -8.828 3.439 -1.753 1.00 0.00 C +ATOM 1374 CD2 LEU A 85 -10.120 4.597 -3.551 1.00 0.00 C +ATOM 1375 H LEU A 85 -7.000 6.725 -0.341 1.00 0.00 H +ATOM 1376 HA LEU A 85 -6.281 4.869 -2.444 1.00 0.00 H +ATOM 1377 HB2 LEU A 85 -8.680 5.997 -1.463 1.00 0.00 H +ATOM 1378 HB3 LEU A 85 -8.513 6.532 -3.125 1.00 0.00 H +ATOM 1379 HG LEU A 85 -8.078 4.026 -3.645 1.00 0.00 H +ATOM 1380 HD11 LEU A 85 -8.731 2.434 -2.136 1.00 0.00 H +ATOM 1381 HD12 LEU A 85 -9.778 3.543 -1.250 1.00 0.00 H +ATOM 1382 HD13 LEU A 85 -8.028 3.638 -1.057 1.00 0.00 H +ATOM 1383 HD21 LEU A 85 -10.248 3.850 -4.321 1.00 0.00 H +ATOM 1384 HD22 LEU A 85 -10.192 5.581 -3.989 1.00 0.00 H +ATOM 1385 HD23 LEU A 85 -10.890 4.479 -2.803 1.00 0.00 H +ATOM 1386 N PHE A 86 -5.375 6.337 -4.207 1.00 0.00 N +ATOM 1387 CA PHE A 86 -4.766 7.193 -5.221 1.00 0.00 C +ATOM 1388 C PHE A 86 -4.205 6.373 -6.383 1.00 0.00 C +ATOM 1389 O PHE A 86 -3.390 5.472 -6.185 1.00 0.00 O +ATOM 1390 CB PHE A 86 -3.665 8.062 -4.594 1.00 0.00 C +ATOM 1391 CG PHE A 86 -2.286 7.468 -4.677 1.00 0.00 C +ATOM 1392 CD1 PHE A 86 -1.935 6.378 -3.897 1.00 0.00 C +ATOM 1393 CD2 PHE A 86 -1.341 8.002 -5.539 1.00 0.00 C +ATOM 1394 CE1 PHE A 86 -0.668 5.832 -3.974 1.00 0.00 C +ATOM 1395 CE2 PHE A 86 -0.074 7.461 -5.621 1.00 0.00 C +ATOM 1396 CZ PHE A 86 0.264 6.374 -4.838 1.00 0.00 C +ATOM 1397 H PHE A 86 -5.240 5.366 -4.250 1.00 0.00 H +ATOM 1398 HA PHE A 86 -5.539 7.842 -5.604 1.00 0.00 H +ATOM 1399 HB2 PHE A 86 -3.642 9.015 -5.098 1.00 0.00 H +ATOM 1400 HB3 PHE A 86 -3.895 8.220 -3.551 1.00 0.00 H +ATOM 1401 HD1 PHE A 86 -2.664 5.953 -3.222 1.00 0.00 H +ATOM 1402 HD2 PHE A 86 -1.604 8.851 -6.151 1.00 0.00 H +ATOM 1403 HE1 PHE A 86 -0.407 4.983 -3.361 1.00 0.00 H +ATOM 1404 HE2 PHE A 86 0.654 7.886 -6.297 1.00 0.00 H +ATOM 1405 HZ PHE A 86 1.255 5.949 -4.900 1.00 0.00 H +ATOM 1406 N LYS A 87 -4.642 6.700 -7.598 1.00 0.00 N +ATOM 1407 CA LYS A 87 -4.176 6.002 -8.793 1.00 0.00 C +ATOM 1408 C LYS A 87 -3.074 6.796 -9.483 1.00 0.00 C +ATOM 1409 O LYS A 87 -2.581 7.790 -8.948 1.00 0.00 O +ATOM 1410 CB LYS A 87 -5.329 5.764 -9.773 1.00 0.00 C +ATOM 1411 CG LYS A 87 -6.663 6.325 -9.308 1.00 0.00 C +ATOM 1412 CD LYS A 87 -7.829 5.596 -9.961 1.00 0.00 C +ATOM 1413 CE LYS A 87 -7.734 5.635 -11.479 1.00 0.00 C +ATOM 1414 NZ LYS A 87 -7.902 7.014 -12.013 1.00 0.00 N +ATOM 1415 H LYS A 87 -5.285 7.433 -7.694 1.00 0.00 H +ATOM 1416 HA LYS A 87 -3.776 5.047 -8.485 1.00 0.00 H +ATOM 1417 HB2 LYS A 87 -5.081 6.226 -10.718 1.00 0.00 H +ATOM 1418 HB3 LYS A 87 -5.443 4.702 -9.922 1.00 0.00 H +ATOM 1419 HG2 LYS A 87 -6.736 6.213 -8.236 1.00 0.00 H +ATOM 1420 HG3 LYS A 87 -6.713 7.373 -9.568 1.00 0.00 H +ATOM 1421 HD2 LYS A 87 -7.823 4.567 -9.638 1.00 0.00 H +ATOM 1422 HD3 LYS A 87 -8.751 6.067 -9.654 1.00 0.00 H +ATOM 1423 HE2 LYS A 87 -6.766 5.259 -11.777 1.00 0.00 H +ATOM 1424 HE3 LYS A 87 -8.506 5.002 -11.890 1.00 0.00 H +ATOM 1425 HZ1 LYS A 87 -7.831 7.007 -13.051 1.00 0.00 H +ATOM 1426 HZ2 LYS A 87 -7.163 7.639 -11.631 1.00 0.00 H +ATOM 1427 HZ3 LYS A 87 -8.834 7.391 -11.743 1.00 0.00 H +ATOM 1428 N SER A 88 -2.694 6.355 -10.676 1.00 0.00 N +ATOM 1429 CA SER A 88 -1.651 7.025 -11.442 1.00 0.00 C +ATOM 1430 C SER A 88 -2.150 7.375 -12.835 1.00 0.00 C +ATOM 1431 O SER A 88 -1.365 7.599 -13.757 1.00 0.00 O +ATOM 1432 CB SER A 88 -0.414 6.139 -11.541 1.00 0.00 C +ATOM 1433 OG SER A 88 0.617 6.601 -10.687 1.00 0.00 O +ATOM 1434 H SER A 88 -3.125 5.559 -11.050 1.00 0.00 H +ATOM 1435 HA SER A 88 -1.397 7.936 -10.928 1.00 0.00 H +ATOM 1436 HB2 SER A 88 -0.676 5.132 -11.259 1.00 0.00 H +ATOM 1437 HB3 SER A 88 -0.053 6.146 -12.560 1.00 0.00 H +ATOM 1438 HG SER A 88 0.260 6.759 -9.810 1.00 0.00 H +ATOM 1439 N GLY A 89 -3.462 7.416 -12.971 1.00 0.00 N +ATOM 1440 CA GLY A 89 -4.073 7.737 -14.246 1.00 0.00 C +ATOM 1441 C GLY A 89 -3.403 8.912 -14.930 1.00 0.00 C +ATOM 1442 O GLY A 89 -2.923 8.740 -16.072 1.00 0.00 O +ATOM 1443 OXT GLY A 89 -3.356 10.003 -14.326 1.00 0.00 O +ATOM 1444 H GLY A 89 -4.022 7.226 -12.192 1.00 0.00 H +ATOM 1445 HA2 GLY A 89 -4.008 6.873 -14.892 1.00 0.00 H +ATOM 1446 HA3 GLY A 89 -5.114 7.975 -14.086 1.00 0.00 H +TER 1447 GLY A 89 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_FS_GA98GB98_2LHCA_2LHDA/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_GA98GB98_2LHCA_2LHDA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b35d5857c0efcb9f03a0e3bdbcdb2797eee317c8 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_GA98GB98_2LHCA_2LHDA/state_a.pdb @@ -0,0 +1,924 @@ +MODEL 1 +ATOM 1 N THR A 1 4.897 13.326 -17.087 1.00 0.00 N +ATOM 2 CA THR A 1 3.812 13.290 -18.103 1.00 0.00 C +ATOM 3 C THR A 1 3.301 14.694 -18.412 1.00 0.00 C +ATOM 4 O THR A 1 3.480 15.619 -17.621 1.00 0.00 O +ATOM 5 CB THR A 1 2.675 12.418 -17.571 1.00 0.00 C +ATOM 6 OG1 THR A 1 3.172 11.432 -16.682 1.00 0.00 O +ATOM 7 CG2 THR A 1 1.905 11.705 -18.662 1.00 0.00 C +ATOM 8 H1 THR A 1 4.453 13.458 -16.156 1.00 0.00 H +ATOM 9 H2 THR A 1 5.524 14.122 -17.322 1.00 0.00 H +ATOM 10 H3 THR A 1 5.404 12.421 -17.133 1.00 0.00 H +ATOM 11 HA THR A 1 4.204 12.851 -19.008 1.00 0.00 H +ATOM 12 HB THR A 1 1.978 13.042 -17.029 1.00 0.00 H +ATOM 13 HG1 THR A 1 3.723 10.814 -17.166 1.00 0.00 H +ATOM 14 HG21 THR A 1 2.506 10.901 -19.061 1.00 0.00 H +ATOM 15 HG22 THR A 1 1.669 12.403 -19.451 1.00 0.00 H +ATOM 16 HG23 THR A 1 0.991 11.300 -18.252 1.00 0.00 H +ATOM 17 N THR A 2 2.664 14.845 -19.569 1.00 0.00 N +ATOM 18 CA THR A 2 2.127 16.137 -19.983 1.00 0.00 C +ATOM 19 C THR A 2 3.238 17.176 -20.097 1.00 0.00 C +ATOM 20 O THR A 2 4.408 16.878 -19.856 1.00 0.00 O +ATOM 21 CB THR A 2 1.067 16.614 -18.989 1.00 0.00 C +ATOM 22 OG1 THR A 2 0.518 15.520 -18.277 1.00 0.00 O +ATOM 23 CG2 THR A 2 -0.079 17.354 -19.645 1.00 0.00 C +ATOM 24 H THR A 2 2.552 14.070 -20.159 1.00 0.00 H +ATOM 25 HA THR A 2 1.668 16.010 -20.952 1.00 0.00 H +ATOM 26 HB THR A 2 1.529 17.283 -18.278 1.00 0.00 H +ATOM 27 HG1 THR A 2 1.005 15.393 -17.459 1.00 0.00 H +ATOM 28 HG21 THR A 2 -0.987 17.180 -19.087 1.00 0.00 H +ATOM 29 HG22 THR A 2 -0.204 17.000 -20.658 1.00 0.00 H +ATOM 30 HG23 THR A 2 0.138 18.412 -19.659 1.00 0.00 H +ATOM 31 N TYR A 3 2.863 18.397 -20.465 1.00 0.00 N +ATOM 32 CA TYR A 3 3.828 19.481 -20.611 1.00 0.00 C +ATOM 33 C TYR A 3 4.552 19.745 -19.294 1.00 0.00 C +ATOM 34 O TYR A 3 5.773 19.612 -19.207 1.00 0.00 O +ATOM 35 CB TYR A 3 3.127 20.755 -21.089 1.00 0.00 C +ATOM 36 CG TYR A 3 3.380 21.074 -22.546 1.00 0.00 C +ATOM 37 CD1 TYR A 3 2.697 20.401 -23.552 1.00 0.00 C +ATOM 38 CD2 TYR A 3 4.302 22.045 -22.915 1.00 0.00 C +ATOM 39 CE1 TYR A 3 2.926 20.688 -24.884 1.00 0.00 C +ATOM 40 CE2 TYR A 3 4.536 22.339 -24.245 1.00 0.00 C +ATOM 41 CZ TYR A 3 3.846 21.658 -25.226 1.00 0.00 C +ATOM 42 OH TYR A 3 4.077 21.947 -26.550 1.00 0.00 O +ATOM 43 H TYR A 3 1.916 18.574 -20.643 1.00 0.00 H +ATOM 44 HA TYR A 3 4.554 19.181 -21.352 1.00 0.00 H +ATOM 45 HB2 TYR A 3 2.063 20.645 -20.955 1.00 0.00 H +ATOM 46 HB3 TYR A 3 3.475 21.594 -20.501 1.00 0.00 H +ATOM 47 HD1 TYR A 3 1.977 19.644 -23.282 1.00 0.00 H +ATOM 48 HD2 TYR A 3 4.841 22.577 -22.144 1.00 0.00 H +ATOM 49 HE1 TYR A 3 2.385 20.156 -25.652 1.00 0.00 H +ATOM 50 HE2 TYR A 3 5.257 23.097 -24.511 1.00 0.00 H +ATOM 51 HH TYR A 3 3.238 22.044 -27.007 1.00 0.00 H +ATOM 52 N LYS A 4 3.790 20.118 -18.271 1.00 0.00 N +ATOM 53 CA LYS A 4 4.360 20.398 -16.958 1.00 0.00 C +ATOM 54 C LYS A 4 4.370 19.144 -16.089 1.00 0.00 C +ATOM 55 O LYS A 4 3.791 18.121 -16.456 1.00 0.00 O +ATOM 56 CB LYS A 4 3.568 21.507 -16.261 1.00 0.00 C +ATOM 57 CG LYS A 4 2.111 21.148 -16.010 1.00 0.00 C +ATOM 58 CD LYS A 4 1.186 21.851 -16.991 1.00 0.00 C +ATOM 59 CE LYS A 4 -0.234 21.320 -16.894 1.00 0.00 C +ATOM 60 NZ LYS A 4 -1.103 21.855 -17.979 1.00 0.00 N +ATOM 61 H LYS A 4 2.823 20.206 -18.401 1.00 0.00 H +ATOM 62 HA LYS A 4 5.377 20.730 -17.101 1.00 0.00 H +ATOM 63 HB2 LYS A 4 4.032 21.722 -15.311 1.00 0.00 H +ATOM 64 HB3 LYS A 4 3.598 22.395 -16.875 1.00 0.00 H +ATOM 65 HG2 LYS A 4 1.990 20.081 -16.118 1.00 0.00 H +ATOM 66 HG3 LYS A 4 1.847 21.443 -15.005 1.00 0.00 H +ATOM 67 HD2 LYS A 4 1.180 22.908 -16.771 1.00 0.00 H +ATOM 68 HD3 LYS A 4 1.553 21.691 -17.995 1.00 0.00 H +ATOM 69 HE2 LYS A 4 -0.209 20.242 -16.967 1.00 0.00 H +ATOM 70 HE3 LYS A 4 -0.649 21.605 -15.938 1.00 0.00 H +ATOM 71 HZ1 LYS A 4 -1.214 22.884 -17.872 1.00 0.00 H +ATOM 72 HZ2 LYS A 4 -2.043 21.410 -17.937 1.00 0.00 H +ATOM 73 HZ3 LYS A 4 -0.679 21.659 -18.907 1.00 0.00 H +ATOM 74 N LEU A 5 5.028 19.231 -14.939 1.00 0.00 N +ATOM 75 CA LEU A 5 5.111 18.102 -14.020 1.00 0.00 C +ATOM 76 C LEU A 5 4.096 18.253 -12.887 1.00 0.00 C +ATOM 77 O LEU A 5 4.152 19.204 -12.108 1.00 0.00 O +ATOM 78 CB LEU A 5 6.546 17.968 -13.480 1.00 0.00 C +ATOM 79 CG LEU A 5 6.791 18.500 -12.065 1.00 0.00 C +ATOM 80 CD1 LEU A 5 6.228 17.534 -11.033 1.00 0.00 C +ATOM 81 CD2 LEU A 5 8.278 18.725 -11.832 1.00 0.00 C +ATOM 82 H LEU A 5 5.469 20.073 -14.701 1.00 0.00 H +ATOM 83 HA LEU A 5 4.868 17.210 -14.576 1.00 0.00 H +ATOM 84 HB2 LEU A 5 6.811 16.920 -13.493 1.00 0.00 H +ATOM 85 HB3 LEU A 5 7.207 18.492 -14.153 1.00 0.00 H +ATOM 86 HG LEU A 5 6.286 19.448 -11.949 1.00 0.00 H +ATOM 87 HD11 LEU A 5 7.039 17.012 -10.548 1.00 0.00 H +ATOM 88 HD12 LEU A 5 5.583 16.821 -11.527 1.00 0.00 H +ATOM 89 HD13 LEU A 5 5.660 18.085 -10.298 1.00 0.00 H +ATOM 90 HD21 LEU A 5 8.650 19.444 -12.547 1.00 0.00 H +ATOM 91 HD22 LEU A 5 8.806 17.791 -11.951 1.00 0.00 H +ATOM 92 HD23 LEU A 5 8.433 19.102 -10.832 1.00 0.00 H +ATOM 93 N ILE A 6 3.164 17.310 -12.809 1.00 0.00 N +ATOM 94 CA ILE A 6 2.135 17.333 -11.785 1.00 0.00 C +ATOM 95 C ILE A 6 2.579 16.579 -10.535 1.00 0.00 C +ATOM 96 O ILE A 6 3.174 15.505 -10.625 1.00 0.00 O +ATOM 97 CB ILE A 6 0.821 16.720 -12.309 1.00 0.00 C +ATOM 98 CG1 ILE A 6 -0.302 16.950 -11.306 1.00 0.00 C +ATOM 99 CG2 ILE A 6 0.996 15.233 -12.592 1.00 0.00 C +ATOM 100 CD1 ILE A 6 -0.553 18.413 -11.019 1.00 0.00 C +ATOM 101 H ILE A 6 3.163 16.582 -13.462 1.00 0.00 H +ATOM 102 HA ILE A 6 1.946 18.364 -11.524 1.00 0.00 H +ATOM 103 HB ILE A 6 0.570 17.209 -13.238 1.00 0.00 H +ATOM 104 HG12 ILE A 6 -1.215 16.526 -11.692 1.00 0.00 H +ATOM 105 HG13 ILE A 6 -0.049 16.467 -10.375 1.00 0.00 H +ATOM 106 HG21 ILE A 6 2.048 15.005 -12.684 1.00 0.00 H +ATOM 107 HG22 ILE A 6 0.492 14.980 -13.515 1.00 0.00 H +ATOM 108 HG23 ILE A 6 0.572 14.660 -11.782 1.00 0.00 H +ATOM 109 HD11 ILE A 6 -1.585 18.651 -11.227 1.00 0.00 H +ATOM 110 HD12 ILE A 6 0.089 19.014 -11.646 1.00 0.00 H +ATOM 111 HD13 ILE A 6 -0.337 18.618 -9.981 1.00 0.00 H +ATOM 112 N LEU A 7 2.285 17.148 -9.370 1.00 0.00 N +ATOM 113 CA LEU A 7 2.652 16.529 -8.102 1.00 0.00 C +ATOM 114 C LEU A 7 1.420 16.306 -7.230 1.00 0.00 C +ATOM 115 O LEU A 7 0.705 17.251 -6.896 1.00 0.00 O +ATOM 116 CB LEU A 7 3.668 17.401 -7.362 1.00 0.00 C +ATOM 117 CG LEU A 7 3.229 18.845 -7.129 1.00 0.00 C +ATOM 118 CD1 LEU A 7 3.616 19.297 -5.734 1.00 0.00 C +ATOM 119 CD2 LEU A 7 3.838 19.766 -8.177 1.00 0.00 C +ATOM 120 H LEU A 7 1.808 18.003 -9.363 1.00 0.00 H +ATOM 121 HA LEU A 7 3.103 15.571 -8.318 1.00 0.00 H +ATOM 122 HB2 LEU A 7 3.869 16.945 -6.403 1.00 0.00 H +ATOM 123 HB3 LEU A 7 4.583 17.414 -7.933 1.00 0.00 H +ATOM 124 HG LEU A 7 2.154 18.907 -7.211 1.00 0.00 H +ATOM 125 HD11 LEU A 7 3.628 18.454 -5.062 1.00 0.00 H +ATOM 126 HD12 LEU A 7 2.901 20.028 -5.377 1.00 0.00 H +ATOM 127 HD13 LEU A 7 4.599 19.747 -5.760 1.00 0.00 H +ATOM 128 HD21 LEU A 7 3.473 19.480 -9.157 1.00 0.00 H +ATOM 129 HD22 LEU A 7 4.913 19.672 -8.156 1.00 0.00 H +ATOM 130 HD23 LEU A 7 3.555 20.780 -7.973 1.00 0.00 H +ATOM 131 N ASN A 8 1.177 15.051 -6.864 1.00 0.00 N +ATOM 132 CA ASN A 8 0.030 14.708 -6.032 1.00 0.00 C +ATOM 133 C ASN A 8 0.162 13.302 -5.467 1.00 0.00 C +ATOM 134 O ASN A 8 0.782 12.425 -6.068 1.00 0.00 O +ATOM 135 CB ASN A 8 -1.267 14.822 -6.833 1.00 0.00 C +ATOM 136 CG ASN A 8 -1.835 16.228 -6.813 1.00 0.00 C +ATOM 137 OD1 ASN A 8 -2.294 16.709 -5.777 1.00 0.00 O +ATOM 138 ND2 ASN A 8 -1.810 16.893 -7.962 1.00 0.00 N +ATOM 139 H ASN A 8 1.783 14.341 -7.162 1.00 0.00 H +ATOM 140 HA ASN A 8 -0.008 15.404 -5.208 1.00 0.00 H +ATOM 141 HB2 ASN A 8 -1.073 14.546 -7.859 1.00 0.00 H +ATOM 142 HB3 ASN A 8 -2.002 14.149 -6.412 1.00 0.00 H +ATOM 143 HD21 ASN A 8 -1.431 16.447 -8.747 1.00 0.00 H +ATOM 144 HD22 ASN A 8 -2.172 17.803 -7.977 1.00 0.00 H +ATOM 145 N LEU A 9 -0.436 13.107 -4.303 1.00 0.00 N +ATOM 146 CA LEU A 9 -0.411 11.820 -3.623 1.00 0.00 C +ATOM 147 C LEU A 9 -1.033 10.729 -4.490 1.00 0.00 C +ATOM 148 O LEU A 9 -0.651 9.564 -4.401 1.00 0.00 O +ATOM 149 CB LEU A 9 -1.148 11.922 -2.289 1.00 0.00 C +ATOM 150 CG LEU A 9 -2.608 12.364 -2.387 1.00 0.00 C +ATOM 151 CD1 LEU A 9 -3.416 11.743 -1.266 1.00 0.00 C +ATOM 152 CD2 LEU A 9 -2.715 13.882 -2.341 1.00 0.00 C +ATOM 153 H LEU A 9 -0.912 13.853 -3.890 1.00 0.00 H +ATOM 154 HA LEU A 9 0.619 11.566 -3.433 1.00 0.00 H +ATOM 155 HB2 LEU A 9 -1.119 10.952 -1.813 1.00 0.00 H +ATOM 156 HB3 LEU A 9 -0.624 12.627 -1.664 1.00 0.00 H +ATOM 157 HG LEU A 9 -3.020 12.025 -3.326 1.00 0.00 H +ATOM 158 HD11 LEU A 9 -3.529 12.459 -0.467 1.00 0.00 H +ATOM 159 HD12 LEU A 9 -2.902 10.869 -0.898 1.00 0.00 H +ATOM 160 HD13 LEU A 9 -4.389 11.461 -1.639 1.00 0.00 H +ATOM 161 HD21 LEU A 9 -3.600 14.165 -1.790 1.00 0.00 H +ATOM 162 HD22 LEU A 9 -2.780 14.268 -3.348 1.00 0.00 H +ATOM 163 HD23 LEU A 9 -1.842 14.290 -1.854 1.00 0.00 H +ATOM 164 N LYS A 10 -2.003 11.119 -5.320 1.00 0.00 N +ATOM 165 CA LYS A 10 -2.702 10.190 -6.210 1.00 0.00 C +ATOM 166 C LYS A 10 -1.774 9.098 -6.744 1.00 0.00 C +ATOM 167 O LYS A 10 -2.082 7.913 -6.644 1.00 0.00 O +ATOM 168 CB LYS A 10 -3.325 10.954 -7.380 1.00 0.00 C +ATOM 169 CG LYS A 10 -4.742 11.431 -7.110 1.00 0.00 C +ATOM 170 CD LYS A 10 -4.757 12.843 -6.547 1.00 0.00 C +ATOM 171 CE LYS A 10 -5.110 13.866 -7.614 1.00 0.00 C +ATOM 172 NZ LYS A 10 -6.552 14.234 -7.577 1.00 0.00 N +ATOM 173 H LYS A 10 -2.263 12.059 -5.329 1.00 0.00 H +ATOM 174 HA LYS A 10 -3.492 9.725 -5.642 1.00 0.00 H +ATOM 175 HB2 LYS A 10 -2.712 11.817 -7.597 1.00 0.00 H +ATOM 176 HB3 LYS A 10 -3.343 10.310 -8.247 1.00 0.00 H +ATOM 177 HG2 LYS A 10 -5.297 11.418 -8.036 1.00 0.00 H +ATOM 178 HG3 LYS A 10 -5.207 10.763 -6.400 1.00 0.00 H +ATOM 179 HD2 LYS A 10 -5.491 12.896 -5.756 1.00 0.00 H +ATOM 180 HD3 LYS A 10 -3.779 13.072 -6.149 1.00 0.00 H +ATOM 181 HE2 LYS A 10 -4.517 14.754 -7.453 1.00 0.00 H +ATOM 182 HE3 LYS A 10 -4.877 13.450 -8.584 1.00 0.00 H +ATOM 183 HZ1 LYS A 10 -6.682 15.206 -7.925 1.00 0.00 H +ATOM 184 HZ2 LYS A 10 -6.911 14.175 -6.602 1.00 0.00 H +ATOM 185 HZ3 LYS A 10 -7.102 13.587 -8.176 1.00 0.00 H +ATOM 186 N GLN A 11 -0.636 9.499 -7.305 1.00 0.00 N +ATOM 187 CA GLN A 11 0.327 8.538 -7.848 1.00 0.00 C +ATOM 188 C GLN A 11 0.539 7.376 -6.879 1.00 0.00 C +ATOM 189 O GLN A 11 0.670 6.221 -7.290 1.00 0.00 O +ATOM 190 CB GLN A 11 1.661 9.225 -8.144 1.00 0.00 C +ATOM 191 CG GLN A 11 2.111 10.185 -7.054 1.00 0.00 C +ATOM 192 CD GLN A 11 3.532 9.921 -6.594 1.00 0.00 C +ATOM 193 OE1 GLN A 11 3.792 9.769 -5.401 1.00 0.00 O +ATOM 194 NE2 GLN A 11 4.460 9.863 -7.542 1.00 0.00 N +ATOM 195 H GLN A 11 -0.436 10.457 -7.357 1.00 0.00 H +ATOM 196 HA GLN A 11 -0.080 8.150 -8.769 1.00 0.00 H +ATOM 197 HB2 GLN A 11 2.423 8.470 -8.266 1.00 0.00 H +ATOM 198 HB3 GLN A 11 1.569 9.781 -9.066 1.00 0.00 H +ATOM 199 HG2 GLN A 11 2.055 11.194 -7.435 1.00 0.00 H +ATOM 200 HG3 GLN A 11 1.448 10.082 -6.206 1.00 0.00 H +ATOM 201 HE21 GLN A 11 4.179 9.993 -8.472 1.00 0.00 H +ATOM 202 HE22 GLN A 11 5.387 9.694 -7.273 1.00 0.00 H +ATOM 203 N ALA A 12 0.556 7.692 -5.589 1.00 0.00 N +ATOM 204 CA ALA A 12 0.736 6.684 -4.555 1.00 0.00 C +ATOM 205 C ALA A 12 -0.579 5.965 -4.267 1.00 0.00 C +ATOM 206 O ALA A 12 -0.593 4.778 -3.944 1.00 0.00 O +ATOM 207 CB ALA A 12 1.281 7.321 -3.287 1.00 0.00 C +ATOM 208 H ALA A 12 0.435 8.628 -5.326 1.00 0.00 H +ATOM 209 HA ALA A 12 1.459 5.965 -4.910 1.00 0.00 H +ATOM 210 HB1 ALA A 12 1.846 8.204 -3.541 1.00 0.00 H +ATOM 211 HB2 ALA A 12 1.923 6.617 -2.777 1.00 0.00 H +ATOM 212 HB3 ALA A 12 0.459 7.592 -2.639 1.00 0.00 H +ATOM 213 N LYS A 13 -1.687 6.687 -4.401 1.00 0.00 N +ATOM 214 CA LYS A 13 -3.000 6.110 -4.167 1.00 0.00 C +ATOM 215 C LYS A 13 -3.220 4.940 -5.124 1.00 0.00 C +ATOM 216 O LYS A 13 -3.810 3.922 -4.760 1.00 0.00 O +ATOM 217 CB LYS A 13 -4.090 7.186 -4.317 1.00 0.00 C +ATOM 218 CG LYS A 13 -5.289 6.766 -5.157 1.00 0.00 C +ATOM 219 CD LYS A 13 -4.974 6.831 -6.643 1.00 0.00 C +ATOM 220 CE LYS A 13 -5.754 7.939 -7.336 1.00 0.00 C +ATOM 221 NZ LYS A 13 -6.756 7.397 -8.295 1.00 0.00 N +ATOM 222 H LYS A 13 -1.620 7.624 -4.674 1.00 0.00 H +ATOM 223 HA LYS A 13 -3.016 5.735 -3.154 1.00 0.00 H +ATOM 224 HB2 LYS A 13 -4.449 7.451 -3.332 1.00 0.00 H +ATOM 225 HB3 LYS A 13 -3.649 8.064 -4.772 1.00 0.00 H +ATOM 226 HG2 LYS A 13 -5.558 5.752 -4.900 1.00 0.00 H +ATOM 227 HG3 LYS A 13 -6.116 7.425 -4.942 1.00 0.00 H +ATOM 228 HD2 LYS A 13 -3.919 7.020 -6.765 1.00 0.00 H +ATOM 229 HD3 LYS A 13 -5.228 5.885 -7.096 1.00 0.00 H +ATOM 230 HE2 LYS A 13 -6.268 8.525 -6.587 1.00 0.00 H +ATOM 231 HE3 LYS A 13 -5.060 8.570 -7.870 1.00 0.00 H +ATOM 232 HZ1 LYS A 13 -7.690 7.340 -7.843 1.00 0.00 H +ATOM 233 HZ2 LYS A 13 -6.474 6.444 -8.604 1.00 0.00 H +ATOM 234 HZ3 LYS A 13 -6.822 8.013 -9.129 1.00 0.00 H +ATOM 235 N GLU A 14 -2.716 5.092 -6.347 1.00 0.00 N +ATOM 236 CA GLU A 14 -2.830 4.052 -7.358 1.00 0.00 C +ATOM 237 C GLU A 14 -1.813 2.952 -7.078 1.00 0.00 C +ATOM 238 O GLU A 14 -2.060 1.776 -7.345 1.00 0.00 O +ATOM 239 CB GLU A 14 -2.614 4.648 -8.758 1.00 0.00 C +ATOM 240 CG GLU A 14 -2.364 3.620 -9.858 1.00 0.00 C +ATOM 241 CD GLU A 14 -1.814 4.249 -11.124 1.00 0.00 C +ATOM 242 OE1 GLU A 14 -2.464 5.171 -11.660 1.00 0.00 O +ATOM 243 OE2 GLU A 14 -0.733 3.820 -11.578 1.00 0.00 O +ATOM 244 H GLU A 14 -2.239 5.920 -6.566 1.00 0.00 H +ATOM 245 HA GLU A 14 -3.826 3.637 -7.294 1.00 0.00 H +ATOM 246 HB2 GLU A 14 -3.489 5.219 -9.028 1.00 0.00 H +ATOM 247 HB3 GLU A 14 -1.764 5.313 -8.721 1.00 0.00 H +ATOM 248 HG2 GLU A 14 -1.652 2.891 -9.502 1.00 0.00 H +ATOM 249 HG3 GLU A 14 -3.295 3.127 -10.096 1.00 0.00 H +ATOM 250 N GLU A 15 -0.669 3.348 -6.521 1.00 0.00 N +ATOM 251 CA GLU A 15 0.390 2.404 -6.181 1.00 0.00 C +ATOM 252 C GLU A 15 -0.169 1.256 -5.344 1.00 0.00 C +ATOM 253 O GLU A 15 0.070 0.082 -5.635 1.00 0.00 O +ATOM 254 CB GLU A 15 1.495 3.123 -5.405 1.00 0.00 C +ATOM 255 CG GLU A 15 2.687 3.509 -6.259 1.00 0.00 C +ATOM 256 CD GLU A 15 3.329 2.318 -6.941 1.00 0.00 C +ATOM 257 OE1 GLU A 15 3.278 1.208 -6.368 1.00 0.00 O +ATOM 258 OE2 GLU A 15 3.882 2.491 -8.047 1.00 0.00 O +ATOM 259 H GLU A 15 -0.540 4.299 -6.324 1.00 0.00 H +ATOM 260 HA GLU A 15 0.801 2.010 -7.099 1.00 0.00 H +ATOM 261 HB2 GLU A 15 1.086 4.024 -4.973 1.00 0.00 H +ATOM 262 HB3 GLU A 15 1.842 2.480 -4.610 1.00 0.00 H +ATOM 263 HG2 GLU A 15 2.359 4.206 -7.019 1.00 0.00 H +ATOM 264 HG3 GLU A 15 3.420 3.984 -5.626 1.00 0.00 H +ATOM 265 N ALA A 16 -0.920 1.611 -4.307 1.00 0.00 N +ATOM 266 CA ALA A 16 -1.524 0.623 -3.425 1.00 0.00 C +ATOM 267 C ALA A 16 -2.692 -0.076 -4.107 1.00 0.00 C +ATOM 268 O ALA A 16 -2.826 -1.295 -4.030 1.00 0.00 O +ATOM 269 CB ALA A 16 -1.982 1.282 -2.134 1.00 0.00 C +ATOM 270 H ALA A 16 -1.076 2.563 -4.135 1.00 0.00 H +ATOM 271 HA ALA A 16 -0.770 -0.111 -3.180 1.00 0.00 H +ATOM 272 HB1 ALA A 16 -1.166 1.847 -1.709 1.00 0.00 H +ATOM 273 HB2 ALA A 16 -2.297 0.522 -1.433 1.00 0.00 H +ATOM 274 HB3 ALA A 16 -2.808 1.945 -2.342 1.00 0.00 H +ATOM 275 N ILE A 17 -3.535 0.703 -4.781 1.00 0.00 N +ATOM 276 CA ILE A 17 -4.690 0.149 -5.482 1.00 0.00 C +ATOM 277 C ILE A 17 -4.253 -0.951 -6.449 1.00 0.00 C +ATOM 278 O ILE A 17 -4.876 -2.009 -6.522 1.00 0.00 O +ATOM 279 CB ILE A 17 -5.465 1.257 -6.242 1.00 0.00 C +ATOM 280 CG1 ILE A 17 -6.520 1.883 -5.328 1.00 0.00 C +ATOM 281 CG2 ILE A 17 -6.118 0.722 -7.516 1.00 0.00 C +ATOM 282 CD1 ILE A 17 -7.627 0.927 -4.937 1.00 0.00 C +ATOM 283 H ILE A 17 -3.375 1.670 -4.811 1.00 0.00 H +ATOM 284 HA ILE A 17 -5.349 -0.282 -4.741 1.00 0.00 H +ATOM 285 HB ILE A 17 -4.759 2.020 -6.527 1.00 0.00 H +ATOM 286 HG12 ILE A 17 -6.044 2.226 -4.424 1.00 0.00 H +ATOM 287 HG13 ILE A 17 -6.971 2.724 -5.834 1.00 0.00 H +ATOM 288 HG21 ILE A 17 -5.352 0.431 -8.219 1.00 0.00 H +ATOM 289 HG22 ILE A 17 -6.733 1.493 -7.956 1.00 0.00 H +ATOM 290 HG23 ILE A 17 -6.732 -0.134 -7.278 1.00 0.00 H +ATOM 291 HD11 ILE A 17 -7.225 0.155 -4.298 1.00 0.00 H +ATOM 292 HD12 ILE A 17 -8.046 0.478 -5.825 1.00 0.00 H +ATOM 293 HD13 ILE A 17 -8.397 1.467 -4.408 1.00 0.00 H +ATOM 294 N LYS A 18 -3.173 -0.695 -7.181 1.00 0.00 N +ATOM 295 CA LYS A 18 -2.652 -1.668 -8.134 1.00 0.00 C +ATOM 296 C LYS A 18 -2.183 -2.930 -7.413 1.00 0.00 C +ATOM 297 O LYS A 18 -2.519 -4.046 -7.810 1.00 0.00 O +ATOM 298 CB LYS A 18 -1.497 -1.064 -8.933 1.00 0.00 C +ATOM 299 CG LYS A 18 -1.941 -0.361 -10.206 1.00 0.00 C +ATOM 300 CD LYS A 18 -0.829 -0.330 -11.242 1.00 0.00 C +ATOM 301 CE LYS A 18 0.380 0.438 -10.737 1.00 0.00 C +ATOM 302 NZ LYS A 18 1.630 0.031 -11.438 1.00 0.00 N +ATOM 303 H LYS A 18 -2.714 0.165 -7.076 1.00 0.00 H +ATOM 304 HA LYS A 18 -3.450 -1.931 -8.811 1.00 0.00 H +ATOM 305 HB2 LYS A 18 -0.981 -0.346 -8.313 1.00 0.00 H +ATOM 306 HB3 LYS A 18 -0.810 -1.852 -9.204 1.00 0.00 H +ATOM 307 HG2 LYS A 18 -2.789 -0.888 -10.619 1.00 0.00 H +ATOM 308 HG3 LYS A 18 -2.226 0.652 -9.965 1.00 0.00 H +ATOM 309 HD2 LYS A 18 -0.532 -1.343 -11.468 1.00 0.00 H +ATOM 310 HD3 LYS A 18 -1.200 0.146 -12.138 1.00 0.00 H +ATOM 311 HE2 LYS A 18 0.215 1.493 -10.900 1.00 0.00 H +ATOM 312 HE3 LYS A 18 0.493 0.251 -9.679 1.00 0.00 H +ATOM 313 HZ1 LYS A 18 2.118 -0.710 -10.895 1.00 0.00 H +ATOM 314 HZ2 LYS A 18 2.266 0.849 -11.538 1.00 0.00 H +ATOM 315 HZ3 LYS A 18 1.406 -0.338 -12.384 1.00 0.00 H +ATOM 316 N GLU A 19 -1.404 -2.742 -6.351 1.00 0.00 N +ATOM 317 CA GLU A 19 -0.887 -3.858 -5.569 1.00 0.00 C +ATOM 318 C GLU A 19 -2.012 -4.585 -4.839 1.00 0.00 C +ATOM 319 O GLU A 19 -1.981 -5.806 -4.685 1.00 0.00 O +ATOM 320 CB GLU A 19 0.137 -3.347 -4.557 1.00 0.00 C +ATOM 321 CG GLU A 19 1.195 -2.443 -5.169 1.00 0.00 C +ATOM 322 CD GLU A 19 2.463 -3.189 -5.539 1.00 0.00 C +ATOM 323 OE1 GLU A 19 2.549 -4.400 -5.243 1.00 0.00 O +ATOM 324 OE2 GLU A 19 3.370 -2.563 -6.126 1.00 0.00 O +ATOM 325 H GLU A 19 -1.172 -1.830 -6.084 1.00 0.00 H +ATOM 326 HA GLU A 19 -0.403 -4.546 -6.245 1.00 0.00 H +ATOM 327 HB2 GLU A 19 -0.381 -2.789 -3.789 1.00 0.00 H +ATOM 328 HB3 GLU A 19 0.633 -4.192 -4.102 1.00 0.00 H +ATOM 329 HG2 GLU A 19 0.788 -1.990 -6.062 1.00 0.00 H +ATOM 330 HG3 GLU A 19 1.444 -1.669 -4.458 1.00 0.00 H +ATOM 331 N LEU A 20 -2.996 -3.820 -4.382 1.00 0.00 N +ATOM 332 CA LEU A 20 -4.129 -4.377 -3.653 1.00 0.00 C +ATOM 333 C LEU A 20 -4.984 -5.273 -4.546 1.00 0.00 C +ATOM 334 O LEU A 20 -5.382 -6.365 -4.145 1.00 0.00 O +ATOM 335 CB LEU A 20 -4.987 -3.243 -3.079 1.00 0.00 C +ATOM 336 CG LEU A 20 -4.803 -2.980 -1.584 1.00 0.00 C +ATOM 337 CD1 LEU A 20 -3.481 -2.295 -1.313 1.00 0.00 C +ATOM 338 CD2 LEU A 20 -5.958 -2.153 -1.042 1.00 0.00 C +ATOM 339 H LEU A 20 -2.955 -2.853 -4.530 1.00 0.00 H +ATOM 340 HA LEU A 20 -3.739 -4.970 -2.838 1.00 0.00 H +ATOM 341 HB2 LEU A 20 -4.750 -2.335 -3.615 1.00 0.00 H +ATOM 342 HB3 LEU A 20 -6.025 -3.482 -3.253 1.00 0.00 H +ATOM 343 HG LEU A 20 -4.791 -3.918 -1.062 1.00 0.00 H +ATOM 344 HD11 LEU A 20 -3.628 -1.226 -1.291 1.00 0.00 H +ATOM 345 HD12 LEU A 20 -2.776 -2.550 -2.091 1.00 0.00 H +ATOM 346 HD13 LEU A 20 -3.102 -2.626 -0.358 1.00 0.00 H +ATOM 347 HD21 LEU A 20 -6.026 -2.286 0.028 1.00 0.00 H +ATOM 348 HD22 LEU A 20 -6.880 -2.475 -1.504 1.00 0.00 H +ATOM 349 HD23 LEU A 20 -5.790 -1.110 -1.265 1.00 0.00 H +ATOM 350 N VAL A 21 -5.269 -4.805 -5.753 1.00 0.00 N +ATOM 351 CA VAL A 21 -6.084 -5.566 -6.693 1.00 0.00 C +ATOM 352 C VAL A 21 -5.354 -6.816 -7.178 1.00 0.00 C +ATOM 353 O VAL A 21 -5.978 -7.828 -7.497 1.00 0.00 O +ATOM 354 CB VAL A 21 -6.482 -4.712 -7.912 1.00 0.00 C +ATOM 355 CG1 VAL A 21 -7.483 -5.456 -8.780 1.00 0.00 C +ATOM 356 CG2 VAL A 21 -7.046 -3.369 -7.470 1.00 0.00 C +ATOM 357 H VAL A 21 -4.929 -3.924 -6.018 1.00 0.00 H +ATOM 358 HA VAL A 21 -6.987 -5.866 -6.183 1.00 0.00 H +ATOM 359 HB VAL A 21 -5.596 -4.528 -8.502 1.00 0.00 H +ATOM 360 HG11 VAL A 21 -7.486 -5.030 -9.773 1.00 0.00 H +ATOM 361 HG12 VAL A 21 -8.469 -5.366 -8.348 1.00 0.00 H +ATOM 362 HG13 VAL A 21 -7.208 -6.499 -8.835 1.00 0.00 H +ATOM 363 HG21 VAL A 21 -8.120 -3.370 -7.594 1.00 0.00 H +ATOM 364 HG22 VAL A 21 -6.616 -2.581 -8.070 1.00 0.00 H +ATOM 365 HG23 VAL A 21 -6.806 -3.201 -6.430 1.00 0.00 H +ATOM 366 N ASP A 22 -4.031 -6.730 -7.246 1.00 0.00 N +ATOM 367 CA ASP A 22 -3.207 -7.843 -7.710 1.00 0.00 C +ATOM 368 C ASP A 22 -3.115 -8.967 -6.677 1.00 0.00 C +ATOM 369 O ASP A 22 -2.850 -10.115 -7.031 1.00 0.00 O +ATOM 370 CB ASP A 22 -1.803 -7.346 -8.057 1.00 0.00 C +ATOM 371 CG ASP A 22 -1.176 -8.132 -9.191 1.00 0.00 C +ATOM 372 OD1 ASP A 22 -1.699 -8.060 -10.324 1.00 0.00 O +ATOM 373 OD2 ASP A 22 -0.161 -8.819 -8.949 1.00 0.00 O +ATOM 374 H ASP A 22 -3.595 -5.891 -6.990 1.00 0.00 H +ATOM 375 HA ASP A 22 -3.665 -8.236 -8.605 1.00 0.00 H +ATOM 376 HB2 ASP A 22 -1.857 -6.308 -8.349 1.00 0.00 H +ATOM 377 HB3 ASP A 22 -1.170 -7.438 -7.186 1.00 0.00 H +ATOM 378 N ALA A 23 -3.314 -8.639 -5.403 1.00 0.00 N +ATOM 379 CA ALA A 23 -3.224 -9.649 -4.345 1.00 0.00 C +ATOM 380 C ALA A 23 -4.288 -9.456 -3.268 1.00 0.00 C +ATOM 381 O ALA A 23 -4.654 -8.330 -2.939 1.00 0.00 O +ATOM 382 CB ALA A 23 -1.836 -9.622 -3.714 1.00 0.00 C +ATOM 383 H ALA A 23 -3.514 -7.706 -5.170 1.00 0.00 H +ATOM 384 HA ALA A 23 -3.362 -10.618 -4.800 1.00 0.00 H +ATOM 385 HB1 ALA A 23 -1.674 -10.537 -3.162 1.00 0.00 H +ATOM 386 HB2 ALA A 23 -1.763 -8.778 -3.039 1.00 0.00 H +ATOM 387 HB3 ALA A 23 -1.088 -9.531 -4.488 1.00 0.00 H +ATOM 388 N GLY A 24 -4.768 -10.569 -2.705 1.00 0.00 N +ATOM 389 CA GLY A 24 -5.770 -10.500 -1.653 1.00 0.00 C +ATOM 390 C GLY A 24 -5.391 -9.494 -0.586 1.00 0.00 C +ATOM 391 O GLY A 24 -4.379 -9.655 0.096 1.00 0.00 O +ATOM 392 H GLY A 24 -4.428 -11.442 -2.997 1.00 0.00 H +ATOM 393 HA2 GLY A 24 -6.719 -10.211 -2.088 1.00 0.00 H +ATOM 394 HA3 GLY A 24 -5.869 -11.472 -1.201 1.00 0.00 H +ATOM 395 N THR A 25 -6.177 -8.432 -0.472 1.00 0.00 N +ATOM 396 CA THR A 25 -5.889 -7.373 0.480 1.00 0.00 C +ATOM 397 C THR A 25 -7.143 -6.880 1.197 1.00 0.00 C +ATOM 398 O THR A 25 -8.161 -7.573 1.251 1.00 0.00 O +ATOM 399 CB THR A 25 -5.270 -6.214 -0.284 1.00 0.00 C +ATOM 400 OG1 THR A 25 -4.793 -5.220 0.605 1.00 0.00 O +ATOM 401 CG2 THR A 25 -6.251 -5.566 -1.239 1.00 0.00 C +ATOM 402 H THR A 25 -6.947 -8.340 -1.068 1.00 0.00 H +ATOM 403 HA THR A 25 -5.175 -7.741 1.201 1.00 0.00 H +ATOM 404 HB THR A 25 -4.438 -6.583 -0.865 1.00 0.00 H +ATOM 405 HG1 THR A 25 -4.149 -5.607 1.202 1.00 0.00 H +ATOM 406 HG21 THR A 25 -6.581 -4.622 -0.833 1.00 0.00 H +ATOM 407 HG22 THR A 25 -7.103 -6.216 -1.373 1.00 0.00 H +ATOM 408 HG23 THR A 25 -5.773 -5.402 -2.190 1.00 0.00 H +ATOM 409 N ALA A 26 -7.055 -5.668 1.743 1.00 0.00 N +ATOM 410 CA ALA A 26 -8.159 -5.035 2.445 1.00 0.00 C +ATOM 411 C ALA A 26 -8.318 -3.591 1.985 1.00 0.00 C +ATOM 412 O ALA A 26 -7.520 -2.725 2.340 1.00 0.00 O +ATOM 413 CB ALA A 26 -7.933 -5.094 3.946 1.00 0.00 C +ATOM 414 H ALA A 26 -6.215 -5.172 1.650 1.00 0.00 H +ATOM 415 HA ALA A 26 -9.061 -5.582 2.212 1.00 0.00 H +ATOM 416 HB1 ALA A 26 -7.531 -4.154 4.291 1.00 0.00 H +ATOM 417 HB2 ALA A 26 -7.239 -5.889 4.176 1.00 0.00 H +ATOM 418 HB3 ALA A 26 -8.874 -5.284 4.445 1.00 0.00 H +ATOM 419 N GLU A 27 -9.345 -3.348 1.173 1.00 0.00 N +ATOM 420 CA GLU A 27 -9.624 -2.012 0.624 1.00 0.00 C +ATOM 421 C GLU A 27 -9.278 -0.889 1.603 1.00 0.00 C +ATOM 422 O GLU A 27 -8.849 0.192 1.194 1.00 0.00 O +ATOM 423 CB GLU A 27 -11.098 -1.907 0.224 1.00 0.00 C +ATOM 424 CG GLU A 27 -12.046 -2.597 1.194 1.00 0.00 C +ATOM 425 CD GLU A 27 -13.163 -1.686 1.667 1.00 0.00 C +ATOM 426 OE1 GLU A 27 -12.858 -0.629 2.257 1.00 0.00 O +ATOM 427 OE2 GLU A 27 -14.344 -2.030 1.446 1.00 0.00 O +ATOM 428 H GLU A 27 -9.929 -4.096 0.923 1.00 0.00 H +ATOM 429 HA GLU A 27 -9.018 -1.889 -0.261 1.00 0.00 H +ATOM 430 HB2 GLU A 27 -11.370 -0.864 0.171 1.00 0.00 H +ATOM 431 HB3 GLU A 27 -11.228 -2.354 -0.751 1.00 0.00 H +ATOM 432 HG2 GLU A 27 -12.485 -3.452 0.702 1.00 0.00 H +ATOM 433 HG3 GLU A 27 -11.483 -2.928 2.054 1.00 0.00 H +ATOM 434 N LYS A 28 -9.470 -1.145 2.891 1.00 0.00 N +ATOM 435 CA LYS A 28 -9.177 -0.145 3.920 1.00 0.00 C +ATOM 436 C LYS A 28 -7.793 0.476 3.725 1.00 0.00 C +ATOM 437 O LYS A 28 -7.544 1.597 4.166 1.00 0.00 O +ATOM 438 CB LYS A 28 -9.263 -0.761 5.314 1.00 0.00 C +ATOM 439 CG LYS A 28 -10.485 -1.644 5.525 1.00 0.00 C +ATOM 440 CD LYS A 28 -11.774 -0.898 5.215 1.00 0.00 C +ATOM 441 CE LYS A 28 -12.798 -1.071 6.330 1.00 0.00 C +ATOM 442 NZ LYS A 28 -14.121 -0.496 5.965 1.00 0.00 N +ATOM 443 H LYS A 28 -9.818 -2.021 3.156 1.00 0.00 H +ATOM 444 HA LYS A 28 -9.920 0.634 3.838 1.00 0.00 H +ATOM 445 HB2 LYS A 28 -8.381 -1.360 5.494 1.00 0.00 H +ATOM 446 HB3 LYS A 28 -9.296 0.034 6.047 1.00 0.00 H +ATOM 447 HG2 LYS A 28 -10.413 -2.503 4.875 1.00 0.00 H +ATOM 448 HG3 LYS A 28 -10.507 -1.973 6.559 1.00 0.00 H +ATOM 449 HD2 LYS A 28 -11.554 0.153 5.104 1.00 0.00 H +ATOM 450 HD3 LYS A 28 -12.188 -1.281 4.294 1.00 0.00 H +ATOM 451 HE2 LYS A 28 -12.919 -2.127 6.531 1.00 0.00 H +ATOM 452 HE3 LYS A 28 -12.432 -0.578 7.218 1.00 0.00 H +ATOM 453 HZ1 LYS A 28 -14.886 -1.091 6.333 1.00 0.00 H +ATOM 454 HZ2 LYS A 28 -14.209 -0.433 4.925 1.00 0.00 H +ATOM 455 HZ3 LYS A 28 -14.216 0.461 6.362 1.00 0.00 H +ATOM 456 N TYR A 29 -6.892 -0.263 3.082 1.00 0.00 N +ATOM 457 CA TYR A 29 -5.527 0.226 2.858 1.00 0.00 C +ATOM 458 C TYR A 29 -5.473 1.345 1.818 1.00 0.00 C +ATOM 459 O TYR A 29 -4.941 2.420 2.094 1.00 0.00 O +ATOM 460 CB TYR A 29 -4.591 -0.915 2.441 1.00 0.00 C +ATOM 461 CG TYR A 29 -4.638 -2.105 3.372 1.00 0.00 C +ATOM 462 CD1 TYR A 29 -4.352 -1.962 4.724 1.00 0.00 C +ATOM 463 CD2 TYR A 29 -4.965 -3.368 2.901 1.00 0.00 C +ATOM 464 CE1 TYR A 29 -4.389 -3.044 5.575 1.00 0.00 C +ATOM 465 CE2 TYR A 29 -5.008 -4.455 3.747 1.00 0.00 C +ATOM 466 CZ TYR A 29 -4.718 -4.287 5.081 1.00 0.00 C +ATOM 467 OH TYR A 29 -4.760 -5.374 5.936 1.00 0.00 O +ATOM 468 H TYR A 29 -7.143 -1.156 2.769 1.00 0.00 H +ATOM 469 HA TYR A 29 -5.175 0.626 3.797 1.00 0.00 H +ATOM 470 HB2 TYR A 29 -4.852 -1.254 1.446 1.00 0.00 H +ATOM 471 HB3 TYR A 29 -3.573 -0.543 2.432 1.00 0.00 H +ATOM 472 HD1 TYR A 29 -4.094 -0.986 5.106 1.00 0.00 H +ATOM 473 HD2 TYR A 29 -5.191 -3.493 1.853 1.00 0.00 H +ATOM 474 HE1 TYR A 29 -4.163 -2.912 6.621 1.00 0.00 H +ATOM 475 HE2 TYR A 29 -5.264 -5.428 3.358 1.00 0.00 H +ATOM 476 HH TYR A 29 -5.520 -5.914 5.718 1.00 0.00 H +ATOM 477 N PHE A 30 -6.006 1.101 0.620 1.00 0.00 N +ATOM 478 CA PHE A 30 -5.977 2.123 -0.425 1.00 0.00 C +ATOM 479 C PHE A 30 -6.729 3.375 0.015 1.00 0.00 C +ATOM 480 O PHE A 30 -6.461 4.471 -0.476 1.00 0.00 O +ATOM 481 CB PHE A 30 -6.526 1.596 -1.761 1.00 0.00 C +ATOM 482 CG PHE A 30 -7.983 1.211 -1.755 1.00 0.00 C +ATOM 483 CD1 PHE A 30 -8.971 2.131 -1.430 1.00 0.00 C +ATOM 484 CD2 PHE A 30 -8.361 -0.077 -2.093 1.00 0.00 C +ATOM 485 CE1 PHE A 30 -10.304 1.769 -1.441 1.00 0.00 C +ATOM 486 CE2 PHE A 30 -9.694 -0.445 -2.106 1.00 0.00 C +ATOM 487 CZ PHE A 30 -10.667 0.479 -1.778 1.00 0.00 C +ATOM 488 H PHE A 30 -6.413 0.229 0.437 1.00 0.00 H +ATOM 489 HA PHE A 30 -4.941 2.393 -0.568 1.00 0.00 H +ATOM 490 HB2 PHE A 30 -6.397 2.358 -2.514 1.00 0.00 H +ATOM 491 HB3 PHE A 30 -5.957 0.724 -2.049 1.00 0.00 H +ATOM 492 HD1 PHE A 30 -8.694 3.140 -1.170 1.00 0.00 H +ATOM 493 HD2 PHE A 30 -7.601 -0.801 -2.350 1.00 0.00 H +ATOM 494 HE1 PHE A 30 -11.064 2.493 -1.184 1.00 0.00 H +ATOM 495 HE2 PHE A 30 -9.974 -1.453 -2.372 1.00 0.00 H +ATOM 496 HZ PHE A 30 -11.708 0.195 -1.788 1.00 0.00 H +ATOM 497 N LYS A 31 -7.661 3.210 0.949 1.00 0.00 N +ATOM 498 CA LYS A 31 -8.432 4.339 1.455 1.00 0.00 C +ATOM 499 C LYS A 31 -7.643 5.072 2.531 1.00 0.00 C +ATOM 500 O LYS A 31 -7.753 6.289 2.682 1.00 0.00 O +ATOM 501 CB LYS A 31 -9.771 3.862 2.024 1.00 0.00 C +ATOM 502 CG LYS A 31 -10.979 4.472 1.333 1.00 0.00 C +ATOM 503 CD LYS A 31 -12.244 4.291 2.157 1.00 0.00 C +ATOM 504 CE LYS A 31 -13.100 5.547 2.150 1.00 0.00 C +ATOM 505 NZ LYS A 31 -13.809 5.744 3.444 1.00 0.00 N +ATOM 506 H LYS A 31 -7.825 2.316 1.313 1.00 0.00 H +ATOM 507 HA LYS A 31 -8.616 5.014 0.633 1.00 0.00 H +ATOM 508 HB2 LYS A 31 -9.830 2.789 1.923 1.00 0.00 H +ATOM 509 HB3 LYS A 31 -9.815 4.119 3.073 1.00 0.00 H +ATOM 510 HG2 LYS A 31 -10.803 5.528 1.188 1.00 0.00 H +ATOM 511 HG3 LYS A 31 -11.113 3.994 0.374 1.00 0.00 H +ATOM 512 HD2 LYS A 31 -12.817 3.474 1.744 1.00 0.00 H +ATOM 513 HD3 LYS A 31 -11.968 4.059 3.176 1.00 0.00 H +ATOM 514 HE2 LYS A 31 -12.463 6.400 1.965 1.00 0.00 H +ATOM 515 HE3 LYS A 31 -13.830 5.466 1.358 1.00 0.00 H +ATOM 516 HZ1 LYS A 31 -13.301 5.253 4.208 1.00 0.00 H +ATOM 517 HZ2 LYS A 31 -14.775 5.364 3.384 1.00 0.00 H +ATOM 518 HZ3 LYS A 31 -13.861 6.757 3.672 1.00 0.00 H +ATOM 519 N LEU A 32 -6.845 4.315 3.276 1.00 0.00 N +ATOM 520 CA LEU A 32 -6.028 4.874 4.341 1.00 0.00 C +ATOM 521 C LEU A 32 -4.833 5.631 3.771 1.00 0.00 C +ATOM 522 O LEU A 32 -4.465 6.694 4.270 1.00 0.00 O +ATOM 523 CB LEU A 32 -5.546 3.756 5.268 1.00 0.00 C +ATOM 524 CG LEU A 32 -6.115 3.801 6.686 1.00 0.00 C +ATOM 525 CD1 LEU A 32 -6.221 2.398 7.261 1.00 0.00 C +ATOM 526 CD2 LEU A 32 -5.250 4.680 7.577 1.00 0.00 C +ATOM 527 H LEU A 32 -6.804 3.352 3.101 1.00 0.00 H +ATOM 528 HA LEU A 32 -6.640 5.560 4.906 1.00 0.00 H +ATOM 529 HB2 LEU A 32 -5.822 2.808 4.820 1.00 0.00 H +ATOM 530 HB3 LEU A 32 -4.467 3.807 5.334 1.00 0.00 H +ATOM 531 HG LEU A 32 -7.108 4.226 6.657 1.00 0.00 H +ATOM 532 HD11 LEU A 32 -5.279 2.119 7.707 1.00 0.00 H +ATOM 533 HD12 LEU A 32 -6.466 1.703 6.473 1.00 0.00 H +ATOM 534 HD13 LEU A 32 -6.997 2.375 8.015 1.00 0.00 H +ATOM 535 HD21 LEU A 32 -4.240 4.696 7.196 1.00 0.00 H +ATOM 536 HD22 LEU A 32 -5.251 4.286 8.582 1.00 0.00 H +ATOM 537 HD23 LEU A 32 -5.647 5.685 7.584 1.00 0.00 H +ATOM 538 N ILE A 33 -4.228 5.074 2.727 1.00 0.00 N +ATOM 539 CA ILE A 33 -3.072 5.698 2.100 1.00 0.00 C +ATOM 540 C ILE A 33 -3.474 6.926 1.285 1.00 0.00 C +ATOM 541 O ILE A 33 -2.828 7.971 1.367 1.00 0.00 O +ATOM 542 CB ILE A 33 -2.300 4.711 1.204 1.00 0.00 C +ATOM 543 CG1 ILE A 33 -3.245 3.981 0.247 1.00 0.00 C +ATOM 544 CG2 ILE A 33 -1.533 3.712 2.060 1.00 0.00 C +ATOM 545 CD1 ILE A 33 -2.957 4.266 -1.209 1.00 0.00 C +ATOM 546 H ILE A 33 -4.563 4.223 2.376 1.00 0.00 H +ATOM 547 HA ILE A 33 -2.409 6.017 2.887 1.00 0.00 H +ATOM 548 HB ILE A 33 -1.582 5.273 0.628 1.00 0.00 H +ATOM 549 HG12 ILE A 33 -3.152 2.915 0.399 1.00 0.00 H +ATOM 550 HG13 ILE A 33 -4.260 4.280 0.451 1.00 0.00 H +ATOM 551 HG21 ILE A 33 -0.604 3.457 1.571 1.00 0.00 H +ATOM 552 HG22 ILE A 33 -2.126 2.820 2.193 1.00 0.00 H +ATOM 553 HG23 ILE A 33 -1.323 4.152 3.024 1.00 0.00 H +ATOM 554 HD11 ILE A 33 -2.734 5.316 -1.330 1.00 0.00 H +ATOM 555 HD12 ILE A 33 -3.819 4.009 -1.806 1.00 0.00 H +ATOM 556 HD13 ILE A 33 -2.109 3.681 -1.530 1.00 0.00 H +ATOM 557 N ALA A 34 -4.549 6.806 0.510 1.00 0.00 N +ATOM 558 CA ALA A 34 -5.029 7.920 -0.300 1.00 0.00 C +ATOM 559 C ALA A 34 -5.334 9.132 0.574 1.00 0.00 C +ATOM 560 O ALA A 34 -5.286 10.273 0.112 1.00 0.00 O +ATOM 561 CB ALA A 34 -6.263 7.507 -1.087 1.00 0.00 C +ATOM 562 H ALA A 34 -5.034 5.959 0.489 1.00 0.00 H +ATOM 563 HA ALA A 34 -4.251 8.180 -1.003 1.00 0.00 H +ATOM 564 HB1 ALA A 34 -7.136 7.589 -0.457 1.00 0.00 H +ATOM 565 HB2 ALA A 34 -6.154 6.485 -1.418 1.00 0.00 H +ATOM 566 HB3 ALA A 34 -6.376 8.153 -1.945 1.00 0.00 H +ATOM 567 N ASN A 35 -5.644 8.875 1.841 1.00 0.00 N +ATOM 568 CA ASN A 35 -5.953 9.939 2.787 1.00 0.00 C +ATOM 569 C ASN A 35 -4.673 10.610 3.287 1.00 0.00 C +ATOM 570 O ASN A 35 -4.694 11.765 3.714 1.00 0.00 O +ATOM 571 CB ASN A 35 -6.761 9.378 3.963 1.00 0.00 C +ATOM 572 CG ASN A 35 -6.922 10.375 5.097 1.00 0.00 C +ATOM 573 OD1 ASN A 35 -7.266 11.535 4.875 1.00 0.00 O +ATOM 574 ND2 ASN A 35 -6.672 9.924 6.321 1.00 0.00 N +ATOM 575 H ASN A 35 -5.663 7.946 2.149 1.00 0.00 H +ATOM 576 HA ASN A 35 -6.552 10.676 2.271 1.00 0.00 H +ATOM 577 HB2 ASN A 35 -7.748 9.103 3.613 1.00 0.00 H +ATOM 578 HB3 ASN A 35 -6.262 8.497 4.348 1.00 0.00 H +ATOM 579 HD21 ASN A 35 -6.402 8.988 6.423 1.00 0.00 H +ATOM 580 HD22 ASN A 35 -6.769 10.542 7.069 1.00 0.00 H +ATOM 581 N ALA A 36 -3.559 9.882 3.227 1.00 0.00 N +ATOM 582 CA ALA A 36 -2.275 10.414 3.669 1.00 0.00 C +ATOM 583 C ALA A 36 -1.880 11.639 2.854 1.00 0.00 C +ATOM 584 O ALA A 36 -2.026 11.658 1.632 1.00 0.00 O +ATOM 585 CB ALA A 36 -1.196 9.346 3.569 1.00 0.00 C +ATOM 586 H ALA A 36 -3.603 8.969 2.875 1.00 0.00 H +ATOM 587 HA ALA A 36 -2.368 10.697 4.708 1.00 0.00 H +ATOM 588 HB1 ALA A 36 -1.204 8.918 2.577 1.00 0.00 H +ATOM 589 HB2 ALA A 36 -1.385 8.572 4.298 1.00 0.00 H +ATOM 590 HB3 ALA A 36 -0.231 9.791 3.759 1.00 0.00 H +ATOM 591 N LYS A 37 -1.378 12.658 3.535 1.00 0.00 N +ATOM 592 CA LYS A 37 -0.960 13.885 2.870 1.00 0.00 C +ATOM 593 C LYS A 37 0.397 13.704 2.195 1.00 0.00 C +ATOM 594 O LYS A 37 0.704 14.375 1.209 1.00 0.00 O +ATOM 595 CB LYS A 37 -0.901 15.040 3.878 1.00 0.00 C +ATOM 596 CG LYS A 37 -1.940 16.122 3.625 1.00 0.00 C +ATOM 597 CD LYS A 37 -3.351 15.558 3.662 1.00 0.00 C +ATOM 598 CE LYS A 37 -4.242 16.213 2.619 1.00 0.00 C +ATOM 599 NZ LYS A 37 -5.682 16.131 2.986 1.00 0.00 N +ATOM 600 H LYS A 37 -1.283 12.586 4.509 1.00 0.00 H +ATOM 601 HA LYS A 37 -1.695 14.116 2.113 1.00 0.00 H +ATOM 602 HB2 LYS A 37 -1.064 14.642 4.871 1.00 0.00 H +ATOM 603 HB3 LYS A 37 0.079 15.493 3.831 1.00 0.00 H +ATOM 604 HG2 LYS A 37 -1.846 16.885 4.386 1.00 0.00 H +ATOM 605 HG3 LYS A 37 -1.762 16.554 2.650 1.00 0.00 H +ATOM 606 HD2 LYS A 37 -3.309 14.499 3.471 1.00 0.00 H +ATOM 607 HD3 LYS A 37 -3.772 15.728 4.640 1.00 0.00 H +ATOM 608 HE2 LYS A 37 -3.963 17.250 2.527 1.00 0.00 H +ATOM 609 HE3 LYS A 37 -4.089 15.721 1.673 1.00 0.00 H +ATOM 610 HZ1 LYS A 37 -6.230 16.828 2.442 1.00 0.00 H +ATOM 611 HZ2 LYS A 37 -5.805 16.324 4.000 1.00 0.00 H +ATOM 612 HZ3 LYS A 37 -6.048 15.180 2.781 1.00 0.00 H +ATOM 613 N THR A 38 1.207 12.796 2.733 1.00 0.00 N +ATOM 614 CA THR A 38 2.531 12.536 2.184 1.00 0.00 C +ATOM 615 C THR A 38 2.538 11.232 1.396 1.00 0.00 C +ATOM 616 O THR A 38 1.936 10.241 1.809 1.00 0.00 O +ATOM 617 CB THR A 38 3.574 12.475 3.299 1.00 0.00 C +ATOM 618 OG1 THR A 38 3.137 11.629 4.348 1.00 0.00 O +ATOM 619 CG2 THR A 38 3.891 13.831 3.899 1.00 0.00 C +ATOM 620 H THR A 38 0.908 12.296 3.520 1.00 0.00 H +ATOM 621 HA THR A 38 2.778 13.347 1.515 1.00 0.00 H +ATOM 622 HB THR A 38 4.491 12.067 2.894 1.00 0.00 H +ATOM 623 HG1 THR A 38 2.408 12.044 4.811 1.00 0.00 H +ATOM 624 HG21 THR A 38 3.190 14.557 3.520 1.00 0.00 H +ATOM 625 HG22 THR A 38 4.894 14.115 3.623 1.00 0.00 H +ATOM 626 HG23 THR A 38 3.812 13.775 4.975 1.00 0.00 H +ATOM 627 N VAL A 39 3.225 11.241 0.260 1.00 0.00 N +ATOM 628 CA VAL A 39 3.315 10.061 -0.591 1.00 0.00 C +ATOM 629 C VAL A 39 4.086 8.939 0.097 1.00 0.00 C +ATOM 630 O VAL A 39 3.750 7.763 -0.047 1.00 0.00 O +ATOM 631 CB VAL A 39 3.998 10.389 -1.934 1.00 0.00 C +ATOM 632 CG1 VAL A 39 3.179 11.407 -2.715 1.00 0.00 C +ATOM 633 CG2 VAL A 39 5.414 10.896 -1.704 1.00 0.00 C +ATOM 634 H VAL A 39 3.683 12.063 -0.013 1.00 0.00 H +ATOM 635 HA VAL A 39 2.311 9.721 -0.796 1.00 0.00 H +ATOM 636 HB VAL A 39 4.052 9.482 -2.518 1.00 0.00 H +ATOM 637 HG11 VAL A 39 2.211 11.523 -2.253 1.00 0.00 H +ATOM 638 HG12 VAL A 39 3.055 11.065 -3.731 1.00 0.00 H +ATOM 639 HG13 VAL A 39 3.692 12.359 -2.716 1.00 0.00 H +ATOM 640 HG21 VAL A 39 5.386 11.765 -1.064 1.00 0.00 H +ATOM 641 HG22 VAL A 39 5.859 11.161 -2.653 1.00 0.00 H +ATOM 642 HG23 VAL A 39 6.002 10.121 -1.234 1.00 0.00 H +ATOM 643 N GLU A 40 5.123 9.309 0.844 1.00 0.00 N +ATOM 644 CA GLU A 40 5.944 8.333 1.554 1.00 0.00 C +ATOM 645 C GLU A 40 5.084 7.420 2.426 1.00 0.00 C +ATOM 646 O GLU A 40 5.454 6.277 2.695 1.00 0.00 O +ATOM 647 CB GLU A 40 6.986 9.047 2.417 1.00 0.00 C +ATOM 648 CG GLU A 40 7.874 10.000 1.633 1.00 0.00 C +ATOM 649 CD GLU A 40 8.249 11.235 2.429 1.00 0.00 C +ATOM 650 OE1 GLU A 40 8.677 11.078 3.588 1.00 0.00 O +ATOM 651 OE2 GLU A 40 8.112 12.349 1.886 1.00 0.00 O +ATOM 652 H GLU A 40 5.341 10.262 0.918 1.00 0.00 H +ATOM 653 HA GLU A 40 6.453 7.731 0.817 1.00 0.00 H +ATOM 654 HB2 GLU A 40 6.476 9.612 3.183 1.00 0.00 H +ATOM 655 HB3 GLU A 40 7.616 8.306 2.886 1.00 0.00 H +ATOM 656 HG2 GLU A 40 8.779 9.482 1.355 1.00 0.00 H +ATOM 657 HG3 GLU A 40 7.349 10.309 0.742 1.00 0.00 H +ATOM 658 N GLY A 41 3.936 7.932 2.858 1.00 0.00 N +ATOM 659 CA GLY A 41 3.040 7.149 3.689 1.00 0.00 C +ATOM 660 C GLY A 41 2.256 6.137 2.882 1.00 0.00 C +ATOM 661 O GLY A 41 1.922 5.057 3.372 1.00 0.00 O +ATOM 662 H GLY A 41 3.692 8.845 2.605 1.00 0.00 H +ATOM 663 HA2 GLY A 41 3.617 6.630 4.439 1.00 0.00 H +ATOM 664 HA3 GLY A 41 2.344 7.817 4.178 1.00 0.00 H +ATOM 665 N VAL A 42 1.964 6.494 1.640 1.00 0.00 N +ATOM 666 CA VAL A 42 1.215 5.626 0.746 1.00 0.00 C +ATOM 667 C VAL A 42 2.117 4.576 0.105 1.00 0.00 C +ATOM 668 O VAL A 42 1.745 3.407 -0.003 1.00 0.00 O +ATOM 669 CB VAL A 42 0.534 6.446 -0.365 1.00 0.00 C +ATOM 670 CG1 VAL A 42 -0.159 5.534 -1.364 1.00 0.00 C +ATOM 671 CG2 VAL A 42 -0.446 7.444 0.234 1.00 0.00 C +ATOM 672 H VAL A 42 2.262 7.368 1.314 1.00 0.00 H +ATOM 673 HA VAL A 42 0.448 5.130 1.322 1.00 0.00 H +ATOM 674 HB VAL A 42 1.298 6.999 -0.887 1.00 0.00 H +ATOM 675 HG11 VAL A 42 -0.989 6.058 -1.814 1.00 0.00 H +ATOM 676 HG12 VAL A 42 -0.522 4.653 -0.856 1.00 0.00 H +ATOM 677 HG13 VAL A 42 0.542 5.244 -2.130 1.00 0.00 H +ATOM 678 HG21 VAL A 42 -0.650 7.178 1.261 1.00 0.00 H +ATOM 679 HG22 VAL A 42 -1.366 7.429 -0.331 1.00 0.00 H +ATOM 680 HG23 VAL A 42 -0.018 8.434 0.198 1.00 0.00 H +ATOM 681 N TRP A 43 3.298 5.000 -0.330 1.00 0.00 N +ATOM 682 CA TRP A 43 4.241 4.090 -0.972 1.00 0.00 C +ATOM 683 C TRP A 43 4.772 3.062 0.022 1.00 0.00 C +ATOM 684 O TRP A 43 5.106 1.939 -0.353 1.00 0.00 O +ATOM 685 CB TRP A 43 5.400 4.879 -1.597 1.00 0.00 C +ATOM 686 CG TRP A 43 5.032 5.550 -2.891 1.00 0.00 C +ATOM 687 CD1 TRP A 43 4.420 6.764 -3.043 1.00 0.00 C +ATOM 688 CD2 TRP A 43 5.243 5.042 -4.215 1.00 0.00 C +ATOM 689 NE1 TRP A 43 4.253 7.046 -4.377 1.00 0.00 N +ATOM 690 CE2 TRP A 43 4.747 6.004 -5.116 1.00 0.00 C +ATOM 691 CE3 TRP A 43 5.807 3.870 -4.728 1.00 0.00 C +ATOM 692 CZ2 TRP A 43 4.798 5.831 -6.497 1.00 0.00 C +ATOM 693 CZ3 TRP A 43 5.855 3.698 -6.100 1.00 0.00 C +ATOM 694 CH2 TRP A 43 5.354 4.675 -6.969 1.00 0.00 C +ATOM 695 H TRP A 43 3.538 5.947 -0.223 1.00 0.00 H +ATOM 696 HA TRP A 43 3.701 3.570 -1.754 1.00 0.00 H +ATOM 697 HB2 TRP A 43 5.721 5.641 -0.904 1.00 0.00 H +ATOM 698 HB3 TRP A 43 6.232 4.210 -1.791 1.00 0.00 H +ATOM 699 HD1 TRP A 43 4.120 7.402 -2.228 1.00 0.00 H +ATOM 700 HE1 TRP A 43 3.844 7.859 -4.740 1.00 0.00 H +ATOM 701 HE3 TRP A 43 6.198 3.105 -4.073 1.00 0.00 H +ATOM 702 HZ2 TRP A 43 4.417 6.575 -7.181 1.00 0.00 H +ATOM 703 HZ3 TRP A 43 6.280 2.798 -6.514 1.00 0.00 H +ATOM 704 HH2 TRP A 43 5.411 4.497 -8.034 1.00 0.00 H +ATOM 705 N THR A 44 4.835 3.443 1.296 1.00 0.00 N +ATOM 706 CA THR A 44 5.314 2.531 2.332 1.00 0.00 C +ATOM 707 C THR A 44 4.222 1.536 2.698 1.00 0.00 C +ATOM 708 O THR A 44 4.459 0.329 2.761 1.00 0.00 O +ATOM 709 CB THR A 44 5.763 3.298 3.579 1.00 0.00 C +ATOM 710 OG1 THR A 44 6.212 2.402 4.580 1.00 0.00 O +ATOM 711 CG2 THR A 44 4.671 4.150 4.189 1.00 0.00 C +ATOM 712 H THR A 44 4.545 4.346 1.540 1.00 0.00 H +ATOM 713 HA THR A 44 6.157 1.989 1.930 1.00 0.00 H +ATOM 714 HB THR A 44 6.585 3.948 3.315 1.00 0.00 H +ATOM 715 HG1 THR A 44 5.471 1.879 4.898 1.00 0.00 H +ATOM 716 HG21 THR A 44 4.112 4.632 3.403 1.00 0.00 H +ATOM 717 HG22 THR A 44 5.114 4.900 4.828 1.00 0.00 H +ATOM 718 HG23 THR A 44 4.009 3.526 4.771 1.00 0.00 H +ATOM 719 N LEU A 45 3.015 2.048 2.920 1.00 0.00 N +ATOM 720 CA LEU A 45 1.884 1.199 3.260 1.00 0.00 C +ATOM 721 C LEU A 45 1.624 0.203 2.135 1.00 0.00 C +ATOM 722 O LEU A 45 1.300 -0.959 2.381 1.00 0.00 O +ATOM 723 CB LEU A 45 0.635 2.047 3.516 1.00 0.00 C +ATOM 724 CG LEU A 45 0.127 2.032 4.960 1.00 0.00 C +ATOM 725 CD1 LEU A 45 0.555 3.294 5.695 1.00 0.00 C +ATOM 726 CD2 LEU A 45 -1.386 1.872 4.999 1.00 0.00 C +ATOM 727 H LEU A 45 2.883 3.016 2.842 1.00 0.00 H +ATOM 728 HA LEU A 45 2.133 0.654 4.159 1.00 0.00 H +ATOM 729 HB2 LEU A 45 0.859 3.070 3.245 1.00 0.00 H +ATOM 730 HB3 LEU A 45 -0.159 1.690 2.875 1.00 0.00 H +ATOM 731 HD11 LEU A 45 0.487 4.139 5.027 1.00 0.00 H +ATOM 732 HD12 LEU A 45 1.575 3.184 6.034 1.00 0.00 H +ATOM 733 HD13 LEU A 45 -0.092 3.453 6.545 1.00 0.00 H +ATOM 734 HD21 LEU A 45 -1.775 2.348 5.887 1.00 0.00 H +ATOM 735 HD22 LEU A 45 -1.637 0.822 5.014 1.00 0.00 H +ATOM 736 HD23 LEU A 45 -1.819 2.334 4.124 1.00 0.00 H +ATOM 737 N LYS A 46 1.786 0.667 0.897 1.00 0.00 N +ATOM 738 CA LYS A 46 1.583 -0.182 -0.266 1.00 0.00 C +ATOM 739 C LYS A 46 2.626 -1.294 -0.290 1.00 0.00 C +ATOM 740 O LYS A 46 2.347 -2.412 -0.724 1.00 0.00 O +ATOM 741 CB LYS A 46 1.627 0.646 -1.560 1.00 0.00 C +ATOM 742 CG LYS A 46 3.016 0.811 -2.160 1.00 0.00 C +ATOM 743 CD LYS A 46 3.244 -0.157 -3.311 1.00 0.00 C +ATOM 744 CE LYS A 46 4.724 -0.414 -3.543 1.00 0.00 C +ATOM 745 NZ LYS A 46 5.528 0.836 -3.456 1.00 0.00 N +ATOM 746 H LYS A 46 2.056 1.598 0.769 1.00 0.00 H +ATOM 747 HA LYS A 46 0.605 -0.633 -0.174 1.00 0.00 H +ATOM 748 HB2 LYS A 46 0.999 0.170 -2.297 1.00 0.00 H +ATOM 749 HB3 LYS A 46 1.232 1.630 -1.352 1.00 0.00 H +ATOM 750 HG2 LYS A 46 3.123 1.820 -2.527 1.00 0.00 H +ATOM 751 HG3 LYS A 46 3.753 0.624 -1.396 1.00 0.00 H +ATOM 752 HD2 LYS A 46 2.758 -1.095 -3.082 1.00 0.00 H +ATOM 753 HD3 LYS A 46 2.814 0.261 -4.211 1.00 0.00 H +ATOM 754 HE2 LYS A 46 5.077 -1.110 -2.796 1.00 0.00 H +ATOM 755 HE3 LYS A 46 4.852 -0.847 -4.525 1.00 0.00 H +ATOM 756 HZ1 LYS A 46 5.978 0.907 -2.522 1.00 0.00 H +ATOM 757 HZ2 LYS A 46 4.916 1.665 -3.598 1.00 0.00 H +ATOM 758 HZ3 LYS A 46 6.268 0.837 -4.187 1.00 0.00 H +ATOM 759 N ASP A 47 3.825 -0.986 0.202 1.00 0.00 N +ATOM 760 CA ASP A 47 4.893 -1.974 0.257 1.00 0.00 C +ATOM 761 C ASP A 47 4.472 -3.123 1.160 1.00 0.00 C +ATOM 762 O ASP A 47 4.796 -4.286 0.908 1.00 0.00 O +ATOM 763 CB ASP A 47 6.188 -1.343 0.776 1.00 0.00 C +ATOM 764 CG ASP A 47 6.726 -0.273 -0.154 1.00 0.00 C +ATOM 765 OD1 ASP A 47 6.690 -0.484 -1.385 1.00 0.00 O +ATOM 766 OD2 ASP A 47 7.185 0.775 0.347 1.00 0.00 O +ATOM 767 H ASP A 47 3.986 -0.083 0.551 1.00 0.00 H +ATOM 768 HA ASP A 47 5.055 -2.351 -0.742 1.00 0.00 H +ATOM 769 HB2 ASP A 47 6.002 -0.893 1.739 1.00 0.00 H +ATOM 770 HB3 ASP A 47 6.938 -2.112 0.883 1.00 0.00 H +ATOM 771 N GLU A 48 3.721 -2.786 2.205 1.00 0.00 N +ATOM 772 CA GLU A 48 3.223 -3.783 3.144 1.00 0.00 C +ATOM 773 C GLU A 48 2.169 -4.655 2.471 1.00 0.00 C +ATOM 774 O GLU A 48 1.997 -5.823 2.820 1.00 0.00 O +ATOM 775 CB GLU A 48 2.633 -3.104 4.382 1.00 0.00 C +ATOM 776 CG GLU A 48 2.979 -3.807 5.684 1.00 0.00 C +ATOM 777 CD GLU A 48 2.564 -3.008 6.901 1.00 0.00 C +ATOM 778 OE1 GLU A 48 1.471 -2.404 6.873 1.00 0.00 O +ATOM 779 OE2 GLU A 48 3.331 -2.990 7.885 1.00 0.00 O +ATOM 780 H GLU A 48 3.482 -1.843 2.339 1.00 0.00 H +ATOM 781 HA GLU A 48 4.055 -4.405 3.442 1.00 0.00 H +ATOM 782 HB2 GLU A 48 3.006 -2.091 4.435 1.00 0.00 H +ATOM 783 HB3 GLU A 48 1.557 -3.076 4.287 1.00 0.00 H +ATOM 784 HG2 GLU A 48 2.477 -4.758 5.700 1.00 0.00 H +ATOM 785 HG3 GLU A 48 4.046 -3.964 5.721 1.00 0.00 H +ATOM 786 N ILE A 49 1.474 -4.080 1.492 1.00 0.00 N +ATOM 787 CA ILE A 49 0.444 -4.803 0.754 1.00 0.00 C +ATOM 788 C ILE A 49 1.075 -5.831 -0.181 1.00 0.00 C +ATOM 789 O ILE A 49 0.466 -6.852 -0.502 1.00 0.00 O +ATOM 790 CB ILE A 49 -0.431 -3.845 -0.074 1.00 0.00 C +ATOM 791 CG1 ILE A 49 -0.909 -2.678 0.794 1.00 0.00 C +ATOM 792 CG2 ILE A 49 -1.612 -4.594 -0.677 1.00 0.00 C +ATOM 793 CD1 ILE A 49 -1.878 -3.085 1.884 1.00 0.00 C +ATOM 794 H ILE A 49 1.664 -3.149 1.256 1.00 0.00 H +ATOM 795 HA ILE A 49 -0.189 -5.312 1.467 1.00 0.00 H +ATOM 796 HB ILE A 49 0.167 -3.458 -0.885 1.00 0.00 H +ATOM 797 HG12 ILE A 49 -0.057 -2.219 1.268 1.00 0.00 H +ATOM 798 HG13 ILE A 49 -1.400 -1.948 0.167 1.00 0.00 H +ATOM 799 HG21 ILE A 49 -1.822 -4.203 -1.661 1.00 0.00 H +ATOM 800 HG22 ILE A 49 -2.480 -4.468 -0.047 1.00 0.00 H +ATOM 801 HG23 ILE A 49 -1.373 -5.644 -0.752 1.00 0.00 H +ATOM 802 HD11 ILE A 49 -2.391 -2.210 2.255 1.00 0.00 H +ATOM 803 HD12 ILE A 49 -1.336 -3.554 2.691 1.00 0.00 H +ATOM 804 HD13 ILE A 49 -2.600 -3.781 1.481 1.00 0.00 H +ATOM 805 N LYS A 50 2.300 -5.552 -0.618 1.00 0.00 N +ATOM 806 CA LYS A 50 3.015 -6.450 -1.517 1.00 0.00 C +ATOM 807 C LYS A 50 3.597 -7.635 -0.753 1.00 0.00 C +ATOM 808 O LYS A 50 3.706 -8.737 -1.291 1.00 0.00 O +ATOM 809 CB LYS A 50 4.130 -5.696 -2.244 1.00 0.00 C +ATOM 810 CG LYS A 50 4.898 -6.557 -3.235 1.00 0.00 C +ATOM 811 CD LYS A 50 6.373 -6.187 -3.269 1.00 0.00 C +ATOM 812 CE LYS A 50 6.886 -6.065 -4.695 1.00 0.00 C +ATOM 813 NZ LYS A 50 8.149 -5.291 -4.766 1.00 0.00 N +ATOM 814 H LYS A 50 2.732 -4.722 -0.329 1.00 0.00 H +ATOM 815 HA LYS A 50 2.308 -6.819 -2.246 1.00 0.00 H +ATOM 816 HB2 LYS A 50 3.697 -4.866 -2.781 1.00 0.00 H +ATOM 817 HB3 LYS A 50 4.829 -5.317 -1.512 1.00 0.00 H +ATOM 818 HG2 LYS A 50 4.804 -7.593 -2.946 1.00 0.00 H +ATOM 819 HG3 LYS A 50 4.478 -6.415 -4.219 1.00 0.00 H +ATOM 820 HD2 LYS A 50 6.510 -5.241 -2.766 1.00 0.00 H +ATOM 821 HD3 LYS A 50 6.930 -6.951 -2.759 1.00 0.00 H +ATOM 822 HE2 LYS A 50 7.050 -7.055 -5.090 1.00 0.00 H +ATOM 823 HE3 LYS A 50 6.138 -5.563 -5.290 1.00 0.00 H +ATOM 824 HZ1 LYS A 50 8.337 -4.994 -5.744 1.00 0.00 H +ATOM 825 HZ2 LYS A 50 8.945 -5.882 -4.439 1.00 0.00 H +ATOM 826 HZ3 LYS A 50 8.091 -4.448 -4.162 1.00 0.00 H +ATOM 827 N THR A 51 3.970 -7.404 0.503 1.00 0.00 N +ATOM 828 CA THR A 51 4.540 -8.461 1.333 1.00 0.00 C +ATOM 829 C THR A 51 3.463 -9.129 2.182 1.00 0.00 C +ATOM 830 O THR A 51 3.373 -10.355 2.236 1.00 0.00 O +ATOM 831 CB THR A 51 5.634 -7.894 2.236 1.00 0.00 C +ATOM 832 OG1 THR A 51 6.273 -6.793 1.617 1.00 0.00 O +ATOM 833 CG2 THR A 51 6.697 -8.908 2.591 1.00 0.00 C +ATOM 834 H THR A 51 3.860 -6.506 0.880 1.00 0.00 H +ATOM 835 HA THR A 51 4.974 -9.200 0.676 1.00 0.00 H +ATOM 836 HB THR A 51 5.188 -7.551 3.157 1.00 0.00 H +ATOM 837 HG1 THR A 51 6.960 -6.454 2.199 1.00 0.00 H +ATOM 838 HG21 THR A 51 7.189 -8.605 3.501 1.00 0.00 H +ATOM 839 HG22 THR A 51 7.416 -8.966 1.790 1.00 0.00 H +ATOM 840 HG23 THR A 51 6.241 -9.876 2.734 1.00 0.00 H +ATOM 841 N PHE A 52 2.649 -8.312 2.841 1.00 0.00 N +ATOM 842 CA PHE A 52 1.573 -8.816 3.689 1.00 0.00 C +ATOM 843 C PHE A 52 2.101 -9.779 4.748 1.00 0.00 C +ATOM 844 O PHE A 52 1.346 -10.574 5.302 1.00 0.00 O +ATOM 845 CB PHE A 52 0.516 -9.514 2.837 1.00 0.00 C +ATOM 846 CG PHE A 52 -0.799 -8.788 2.798 1.00 0.00 C +ATOM 847 CD1 PHE A 52 -0.927 -7.606 2.091 1.00 0.00 C +ATOM 848 CD2 PHE A 52 -1.902 -9.286 3.468 1.00 0.00 C +ATOM 849 CE1 PHE A 52 -2.134 -6.932 2.051 1.00 0.00 C +ATOM 850 CE2 PHE A 52 -3.111 -8.616 3.430 1.00 0.00 C +ATOM 851 CZ PHE A 52 -3.228 -7.439 2.724 1.00 0.00 C +ATOM 852 H PHE A 52 2.772 -7.343 2.755 1.00 0.00 H +ATOM 853 HA PHE A 52 1.122 -7.969 4.181 1.00 0.00 H +ATOM 854 HB2 PHE A 52 0.878 -9.599 1.824 1.00 0.00 H +ATOM 855 HB3 PHE A 52 0.343 -10.501 3.234 1.00 0.00 H +ATOM 856 HD1 PHE A 52 -0.073 -7.212 1.565 1.00 0.00 H +ATOM 857 HD2 PHE A 52 -1.812 -10.205 4.019 1.00 0.00 H +ATOM 858 HE1 PHE A 52 -2.221 -6.008 1.493 1.00 0.00 H +ATOM 859 HE2 PHE A 52 -3.966 -9.017 3.962 1.00 0.00 H +ATOM 860 HZ PHE A 52 -4.171 -6.916 2.696 1.00 0.00 H +ATOM 861 N THR A 53 3.397 -9.696 5.021 1.00 0.00 N +ATOM 862 CA THR A 53 4.030 -10.558 6.018 1.00 0.00 C +ATOM 863 C THR A 53 3.831 -12.030 5.658 1.00 0.00 C +ATOM 864 O THR A 53 4.707 -12.652 5.054 1.00 0.00 O +ATOM 865 CB THR A 53 3.465 -10.250 7.410 1.00 0.00 C +ATOM 866 OG1 THR A 53 3.893 -8.973 7.848 1.00 0.00 O +ATOM 867 CG2 THR A 53 3.849 -11.256 8.480 1.00 0.00 C +ATOM 868 H THR A 53 3.939 -9.043 4.553 1.00 0.00 H +ATOM 869 HA THR A 53 5.086 -10.333 6.006 1.00 0.00 H +ATOM 870 HB THR A 53 2.385 -10.241 7.351 1.00 0.00 H +ATOM 871 HG1 THR A 53 3.450 -8.293 7.339 1.00 0.00 H +ATOM 872 HG21 THR A 53 3.170 -11.185 9.311 1.00 0.00 H +ATOM 873 HG22 THR A 53 4.858 -11.045 8.822 1.00 0.00 H +ATOM 874 HG23 THR A 53 3.812 -12.250 8.065 1.00 0.00 H +ATOM 875 N VAL A 54 2.687 -12.583 6.036 1.00 0.00 N +ATOM 876 CA VAL A 54 2.380 -13.983 5.758 1.00 0.00 C +ATOM 877 C VAL A 54 1.263 -14.096 4.721 1.00 0.00 C +ATOM 878 O VAL A 54 0.432 -13.200 4.593 1.00 0.00 O +ATOM 879 CB VAL A 54 1.965 -14.736 7.036 1.00 0.00 C +ATOM 880 CG1 VAL A 54 3.155 -14.912 7.956 1.00 0.00 C +ATOM 881 CG2 VAL A 54 0.839 -13.998 7.738 1.00 0.00 C +ATOM 882 H VAL A 54 2.027 -12.040 6.517 1.00 0.00 H +ATOM 883 HA VAL A 54 3.268 -14.442 5.356 1.00 0.00 H +ATOM 884 HB VAL A 54 1.610 -15.711 6.746 1.00 0.00 H +ATOM 885 HG11 VAL A 54 4.066 -14.970 7.369 1.00 0.00 H +ATOM 886 HG12 VAL A 54 3.036 -15.823 8.528 1.00 0.00 H +ATOM 887 HG13 VAL A 54 3.214 -14.068 8.628 1.00 0.00 H +ATOM 888 HG21 VAL A 54 1.199 -13.046 8.100 1.00 0.00 H +ATOM 889 HG22 VAL A 54 0.492 -14.591 8.576 1.00 0.00 H +ATOM 890 HG23 VAL A 54 0.023 -13.840 7.052 1.00 0.00 H +ATOM 891 N THR A 55 1.243 -15.214 4.003 1.00 0.00 N +ATOM 892 CA THR A 55 0.226 -15.447 2.986 1.00 0.00 C +ATOM 893 C THR A 55 -0.830 -16.427 3.486 1.00 0.00 C +ATOM 894 O THR A 55 -0.564 -17.244 4.365 1.00 0.00 O +ATOM 895 CB THR A 55 0.869 -15.980 1.702 1.00 0.00 C +ATOM 896 OG1 THR A 55 2.171 -15.448 1.533 1.00 0.00 O +ATOM 897 CG2 THR A 55 0.076 -15.657 0.455 1.00 0.00 C +ATOM 898 H THR A 55 1.932 -15.894 4.155 1.00 0.00 H +ATOM 899 HA THR A 55 -0.249 -14.499 2.765 1.00 0.00 H +ATOM 900 HB THR A 55 0.949 -17.056 1.775 1.00 0.00 H +ATOM 901 HG1 THR A 55 2.145 -14.495 1.646 1.00 0.00 H +ATOM 902 HG21 THR A 55 -0.942 -15.999 0.578 1.00 0.00 H +ATOM 903 HG22 THR A 55 0.524 -16.152 -0.396 1.00 0.00 H +ATOM 904 HG23 THR A 55 0.080 -14.591 0.294 1.00 0.00 H +ATOM 905 N GLU A 56 -2.027 -16.336 2.913 1.00 0.00 N +ATOM 906 CA GLU A 56 -3.124 -17.217 3.302 1.00 0.00 C +ATOM 907 C GLU A 56 -3.700 -17.935 2.085 1.00 0.00 C +ATOM 908 O GLU A 56 -3.921 -19.161 2.173 1.00 0.00 O +ATOM 909 CB GLU A 56 -4.224 -16.422 4.011 1.00 0.00 C +ATOM 910 CG GLU A 56 -5.386 -17.276 4.491 1.00 0.00 C +ATOM 911 CD GLU A 56 -6.452 -17.459 3.428 1.00 0.00 C +ATOM 912 OE1 GLU A 56 -6.821 -16.456 2.776 1.00 0.00 O +ATOM 913 OE2 GLU A 56 -6.916 -18.602 3.243 1.00 0.00 O +ATOM 914 OXT GLU A 56 -3.926 -17.265 1.055 1.00 0.00 O +ATOM 915 H GLU A 56 -2.177 -15.665 2.215 1.00 0.00 H +ATOM 916 HA GLU A 56 -2.733 -17.955 3.990 1.00 0.00 H +ATOM 917 HB2 GLU A 56 -3.796 -15.918 4.865 1.00 0.00 H +ATOM 918 HB3 GLU A 56 -4.611 -15.682 3.325 1.00 0.00 H +ATOM 919 HG2 GLU A 56 -5.006 -18.244 4.766 1.00 0.00 H +ATOM 920 HG3 GLU A 56 -5.831 -16.797 5.345 1.00 0.00 H +TER 921 GLU A 56 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_FS_GA98GB98_2LHCA_2LHDA/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_GA98GB98_2LHCA_2LHDA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d228b80781b3eae50cfa47b9f3b966465b0a1de5 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_GA98GB98_2LHCA_2LHDA/state_b.pdb @@ -0,0 +1,927 @@ +MODEL 1 +ATOM 1 N THR A 1 1.450 -13.245 4.353 1.00 0.00 N +ATOM 2 CA THR A 1 0.642 -12.612 3.277 1.00 0.00 C +ATOM 3 C THR A 1 1.367 -11.411 2.678 1.00 0.00 C +ATOM 4 O THR A 1 1.869 -10.551 3.402 1.00 0.00 O +ATOM 5 CB THR A 1 -0.700 -12.178 3.867 1.00 0.00 C +ATOM 6 OG1 THR A 1 -1.272 -13.221 4.635 1.00 0.00 O +ATOM 7 CG2 THR A 1 -1.712 -11.773 2.817 1.00 0.00 C +ATOM 8 H1 THR A 1 2.413 -13.382 3.987 1.00 0.00 H +ATOM 9 H2 THR A 1 1.005 -14.155 4.590 1.00 0.00 H +ATOM 10 H3 THR A 1 1.450 -12.602 5.170 1.00 0.00 H +ATOM 11 HA THR A 1 0.471 -13.343 2.501 1.00 0.00 H +ATOM 12 HB THR A 1 -0.539 -11.328 4.516 1.00 0.00 H +ATOM 13 HG1 THR A 1 -2.047 -12.893 5.097 1.00 0.00 H +ATOM 14 HG21 THR A 1 -2.555 -11.295 3.294 1.00 0.00 H +ATOM 15 HG22 THR A 1 -2.050 -12.650 2.285 1.00 0.00 H +ATOM 16 HG23 THR A 1 -1.254 -11.085 2.122 1.00 0.00 H +ATOM 17 N THR A 2 1.418 -11.358 1.351 1.00 0.00 N +ATOM 18 CA THR A 2 2.082 -10.263 0.654 1.00 0.00 C +ATOM 19 C THR A 2 1.139 -9.075 0.483 1.00 0.00 C +ATOM 20 O THR A 2 0.022 -9.224 -0.010 1.00 0.00 O +ATOM 21 CB THR A 2 2.585 -10.730 -0.713 1.00 0.00 C +ATOM 22 OG1 THR A 2 3.136 -12.031 -0.625 1.00 0.00 O +ATOM 23 CG2 THR A 2 3.642 -9.822 -1.304 1.00 0.00 C +ATOM 24 H THR A 2 0.999 -12.073 0.828 1.00 0.00 H +ATOM 25 HA THR A 2 2.925 -9.954 1.251 1.00 0.00 H +ATOM 26 HB THR A 2 1.752 -10.760 -1.400 1.00 0.00 H +ATOM 27 HG1 THR A 2 2.440 -12.663 -0.433 1.00 0.00 H +ATOM 28 HG21 THR A 2 3.749 -8.943 -0.685 1.00 0.00 H +ATOM 29 HG22 THR A 2 3.345 -9.526 -2.300 1.00 0.00 H +ATOM 30 HG23 THR A 2 4.584 -10.348 -1.350 1.00 0.00 H +ATOM 31 N TYR A 3 1.599 -7.897 0.892 1.00 0.00 N +ATOM 32 CA TYR A 3 0.794 -6.685 0.782 1.00 0.00 C +ATOM 33 C TYR A 3 1.503 -5.636 -0.071 1.00 0.00 C +ATOM 34 O TYR A 3 2.607 -5.201 0.253 1.00 0.00 O +ATOM 35 CB TYR A 3 0.493 -6.117 2.172 1.00 0.00 C +ATOM 36 CG TYR A 3 -0.954 -6.273 2.587 1.00 0.00 C +ATOM 37 CD1 TYR A 3 -1.396 -7.430 3.219 1.00 0.00 C +ATOM 38 CD2 TYR A 3 -1.878 -5.263 2.345 1.00 0.00 C +ATOM 39 CE1 TYR A 3 -2.718 -7.574 3.597 1.00 0.00 C +ATOM 40 CE2 TYR A 3 -3.200 -5.402 2.719 1.00 0.00 C +ATOM 41 CZ TYR A 3 -3.615 -6.558 3.345 1.00 0.00 C +ATOM 42 OH TYR A 3 -4.932 -6.699 3.717 1.00 0.00 O +ATOM 43 H TYR A 3 2.499 -7.840 1.277 1.00 0.00 H +ATOM 44 HA TYR A 3 -0.137 -6.950 0.302 1.00 0.00 H +ATOM 45 HB2 TYR A 3 1.104 -6.627 2.902 1.00 0.00 H +ATOM 46 HB3 TYR A 3 0.731 -5.063 2.183 1.00 0.00 H +ATOM 47 HD1 TYR A 3 -0.691 -8.224 3.416 1.00 0.00 H +ATOM 48 HD2 TYR A 3 -1.551 -4.359 1.855 1.00 0.00 H +ATOM 49 HE1 TYR A 3 -3.043 -8.480 4.086 1.00 0.00 H +ATOM 50 HE2 TYR A 3 -3.902 -4.606 2.523 1.00 0.00 H +ATOM 51 HH TYR A 3 -5.100 -6.176 4.504 1.00 0.00 H +ATOM 52 N LYS A 4 0.857 -5.232 -1.162 1.00 0.00 N +ATOM 53 CA LYS A 4 1.426 -4.232 -2.060 1.00 0.00 C +ATOM 54 C LYS A 4 0.771 -2.873 -1.839 1.00 0.00 C +ATOM 55 O LYS A 4 -0.317 -2.784 -1.267 1.00 0.00 O +ATOM 56 CB LYS A 4 1.255 -4.664 -3.517 1.00 0.00 C +ATOM 57 CG LYS A 4 2.430 -4.288 -4.404 1.00 0.00 C +ATOM 58 CD LYS A 4 2.085 -4.429 -5.879 1.00 0.00 C +ATOM 59 CE LYS A 4 2.764 -5.641 -6.497 1.00 0.00 C +ATOM 60 NZ LYS A 4 2.062 -6.908 -6.151 1.00 0.00 N +ATOM 61 H LYS A 4 -0.022 -5.615 -1.367 1.00 0.00 H +ATOM 62 HA LYS A 4 2.480 -4.149 -1.839 1.00 0.00 H +ATOM 63 HB2 LYS A 4 1.135 -5.737 -3.551 1.00 0.00 H +ATOM 64 HB3 LYS A 4 0.367 -4.198 -3.917 1.00 0.00 H +ATOM 65 HG2 LYS A 4 2.703 -3.262 -4.207 1.00 0.00 H +ATOM 66 HG3 LYS A 4 3.264 -4.935 -4.174 1.00 0.00 H +ATOM 67 HD2 LYS A 4 1.016 -4.538 -5.981 1.00 0.00 H +ATOM 68 HD3 LYS A 4 2.410 -3.541 -6.401 1.00 0.00 H +ATOM 69 HE2 LYS A 4 2.771 -5.526 -7.571 1.00 0.00 H +ATOM 70 HE3 LYS A 4 3.781 -5.691 -6.135 1.00 0.00 H +ATOM 71 HZ1 LYS A 4 2.487 -7.331 -5.301 1.00 0.00 H +ATOM 72 HZ2 LYS A 4 2.139 -7.584 -6.938 1.00 0.00 H +ATOM 73 HZ3 LYS A 4 1.057 -6.721 -5.967 1.00 0.00 H +ATOM 74 N LEU A 5 1.436 -1.813 -2.289 1.00 0.00 N +ATOM 75 CA LEU A 5 0.910 -0.463 -2.131 1.00 0.00 C +ATOM 76 C LEU A 5 1.141 0.377 -3.381 1.00 0.00 C +ATOM 77 O LEU A 5 2.243 0.402 -3.930 1.00 0.00 O +ATOM 78 CB LEU A 5 1.559 0.227 -0.929 1.00 0.00 C +ATOM 79 CG LEU A 5 0.583 0.726 0.138 1.00 0.00 C +ATOM 80 CD1 LEU A 5 1.339 1.229 1.358 1.00 0.00 C +ATOM 81 CD2 LEU A 5 -0.309 1.821 -0.428 1.00 0.00 C +ATOM 82 H LEU A 5 2.299 -1.943 -2.734 1.00 0.00 H +ATOM 83 HA LEU A 5 -0.151 -0.542 -1.956 1.00 0.00 H +ATOM 84 HB2 LEU A 5 2.243 -0.470 -0.467 1.00 0.00 H +ATOM 85 HB3 LEU A 5 2.124 1.075 -1.292 1.00 0.00 H +ATOM 86 HG LEU A 5 -0.048 -0.093 0.451 1.00 0.00 H +ATOM 87 HD11 LEU A 5 0.713 1.134 2.232 1.00 0.00 H +ATOM 88 HD12 LEU A 5 1.603 2.267 1.215 1.00 0.00 H +ATOM 89 HD13 LEU A 5 2.237 0.645 1.491 1.00 0.00 H +ATOM 90 HD21 LEU A 5 0.077 2.787 -0.136 1.00 0.00 H +ATOM 91 HD22 LEU A 5 -1.311 1.704 -0.043 1.00 0.00 H +ATOM 92 HD23 LEU A 5 -0.326 1.751 -1.505 1.00 0.00 H +ATOM 93 N ILE A 6 0.100 1.080 -3.812 1.00 0.00 N +ATOM 94 CA ILE A 6 0.195 1.944 -4.982 1.00 0.00 C +ATOM 95 C ILE A 6 -0.576 3.241 -4.756 1.00 0.00 C +ATOM 96 O ILE A 6 -1.807 3.252 -4.768 1.00 0.00 O +ATOM 97 CB ILE A 6 -0.322 1.258 -6.268 1.00 0.00 C +ATOM 98 CG1 ILE A 6 -0.191 -0.264 -6.163 1.00 0.00 C +ATOM 99 CG2 ILE A 6 0.440 1.774 -7.480 1.00 0.00 C +ATOM 100 CD1 ILE A 6 -0.726 -1.001 -7.372 1.00 0.00 C +ATOM 101 H ILE A 6 -0.745 1.031 -3.320 1.00 0.00 H +ATOM 102 HA ILE A 6 1.234 2.181 -5.119 1.00 0.00 H +ATOM 103 HB ILE A 6 -1.361 1.517 -6.394 1.00 0.00 H +ATOM 104 HG12 ILE A 6 0.851 -0.524 -6.052 1.00 0.00 H +ATOM 105 HG13 ILE A 6 -0.737 -0.606 -5.296 1.00 0.00 H +ATOM 106 HG21 ILE A 6 -0.123 2.569 -7.947 1.00 0.00 H +ATOM 107 HG22 ILE A 6 0.580 0.970 -8.186 1.00 0.00 H +ATOM 108 HG23 ILE A 6 1.403 2.151 -7.168 1.00 0.00 H +ATOM 109 HD11 ILE A 6 -1.388 -0.351 -7.925 1.00 0.00 H +ATOM 110 HD12 ILE A 6 -1.268 -1.877 -7.049 1.00 0.00 H +ATOM 111 HD13 ILE A 6 0.097 -1.300 -8.004 1.00 0.00 H +ATOM 112 N LEU A 7 0.149 4.334 -4.534 1.00 0.00 N +ATOM 113 CA LEU A 7 -0.487 5.625 -4.288 1.00 0.00 C +ATOM 114 C LEU A 7 -0.337 6.565 -5.477 1.00 0.00 C +ATOM 115 O LEU A 7 0.731 6.659 -6.074 1.00 0.00 O +ATOM 116 CB LEU A 7 0.096 6.274 -3.031 1.00 0.00 C +ATOM 117 CG LEU A 7 0.262 5.333 -1.836 1.00 0.00 C +ATOM 118 CD1 LEU A 7 1.686 4.801 -1.768 1.00 0.00 C +ATOM 119 CD2 LEU A 7 -0.106 6.043 -0.542 1.00 0.00 C +ATOM 120 H LEU A 7 1.126 4.269 -4.523 1.00 0.00 H +ATOM 121 HA LEU A 7 -1.533 5.446 -4.130 1.00 0.00 H +ATOM 122 HB2 LEU A 7 1.067 6.684 -3.280 1.00 0.00 H +ATOM 123 HB3 LEU A 7 -0.558 7.085 -2.735 1.00 0.00 H +ATOM 124 HG LEU A 7 -0.402 4.490 -1.956 1.00 0.00 H +ATOM 125 HD11 LEU A 7 2.016 4.530 -2.759 1.00 0.00 H +ATOM 126 HD12 LEU A 7 1.714 3.932 -1.129 1.00 0.00 H +ATOM 127 HD13 LEU A 7 2.336 5.564 -1.367 1.00 0.00 H +ATOM 128 HD21 LEU A 7 0.561 5.727 0.247 1.00 0.00 H +ATOM 129 HD22 LEU A 7 -1.123 5.798 -0.273 1.00 0.00 H +ATOM 130 HD23 LEU A 7 -0.019 7.112 -0.679 1.00 0.00 H +ATOM 131 N ASN A 8 -1.419 7.262 -5.814 1.00 0.00 N +ATOM 132 CA ASN A 8 -1.404 8.201 -6.930 1.00 0.00 C +ATOM 133 C ASN A 8 -1.821 9.595 -6.472 1.00 0.00 C +ATOM 134 O ASN A 8 -2.955 9.802 -6.039 1.00 0.00 O +ATOM 135 CB ASN A 8 -2.334 7.717 -8.044 1.00 0.00 C +ATOM 136 CG ASN A 8 -2.053 8.397 -9.369 1.00 0.00 C +ATOM 137 OD1 ASN A 8 -1.751 9.590 -9.415 1.00 0.00 O +ATOM 138 ND2 ASN A 8 -2.154 7.641 -10.455 1.00 0.00 N +ATOM 139 H ASN A 8 -2.246 7.146 -5.297 1.00 0.00 H +ATOM 140 HA ASN A 8 -0.395 8.247 -7.311 1.00 0.00 H +ATOM 141 HB2 ASN A 8 -2.206 6.651 -8.173 1.00 0.00 H +ATOM 142 HB3 ASN A 8 -3.357 7.923 -7.763 1.00 0.00 H +ATOM 143 HD21 ASN A 8 -2.399 6.699 -10.343 1.00 0.00 H +ATOM 144 HD22 ASN A 8 -1.978 8.056 -11.325 1.00 0.00 H +ATOM 145 N LEU A 9 -0.898 10.547 -6.567 1.00 0.00 N +ATOM 146 CA LEU A 9 -1.169 11.912 -6.159 1.00 0.00 C +ATOM 147 C LEU A 9 -0.245 12.892 -6.880 1.00 0.00 C +ATOM 148 O LEU A 9 -0.706 13.810 -7.556 1.00 0.00 O +ATOM 149 CB LEU A 9 -1.006 12.063 -4.645 1.00 0.00 C +ATOM 150 CG LEU A 9 -2.210 11.600 -3.822 1.00 0.00 C +ATOM 151 CD1 LEU A 9 -1.887 10.308 -3.085 1.00 0.00 C +ATOM 152 CD2 LEU A 9 -2.640 12.681 -2.842 1.00 0.00 C +ATOM 153 H LEU A 9 -0.010 10.311 -6.916 1.00 0.00 H +ATOM 154 HA LEU A 9 -2.192 12.145 -6.425 1.00 0.00 H +ATOM 155 HB2 LEU A 9 -0.139 11.488 -4.342 1.00 0.00 H +ATOM 156 HB3 LEU A 9 -0.826 13.110 -4.423 1.00 0.00 H +ATOM 157 HG LEU A 9 -3.035 11.398 -4.488 1.00 0.00 H +ATOM 158 HD11 LEU A 9 -2.188 9.465 -3.688 1.00 0.00 H +ATOM 159 HD12 LEU A 9 -2.417 10.288 -2.145 1.00 0.00 H +ATOM 160 HD13 LEU A 9 -0.824 10.256 -2.900 1.00 0.00 H +ATOM 161 HD21 LEU A 9 -3.017 12.213 -1.940 1.00 0.00 H +ATOM 162 HD22 LEU A 9 -3.415 13.286 -3.291 1.00 0.00 H +ATOM 163 HD23 LEU A 9 -1.791 13.297 -2.596 1.00 0.00 H +ATOM 164 N LYS A 10 1.059 12.686 -6.731 1.00 0.00 N +ATOM 165 CA LYS A 10 2.046 13.552 -7.369 1.00 0.00 C +ATOM 166 C LYS A 10 2.174 13.222 -8.854 1.00 0.00 C +ATOM 167 O LYS A 10 1.333 12.524 -9.419 1.00 0.00 O +ATOM 168 CB LYS A 10 3.404 13.407 -6.682 1.00 0.00 C +ATOM 169 CG LYS A 10 3.325 13.461 -5.164 1.00 0.00 C +ATOM 170 CD LYS A 10 3.197 14.891 -4.664 1.00 0.00 C +ATOM 171 CE LYS A 10 4.546 15.466 -4.265 1.00 0.00 C +ATOM 172 NZ LYS A 10 4.405 16.630 -3.347 1.00 0.00 N +ATOM 173 H LYS A 10 1.365 11.935 -6.180 1.00 0.00 H +ATOM 174 HA LYS A 10 1.709 14.570 -7.266 1.00 0.00 H +ATOM 175 HB2 LYS A 10 3.837 12.454 -6.963 1.00 0.00 H +ATOM 176 HB3 LYS A 10 4.053 14.203 -7.015 1.00 0.00 H +ATOM 177 HG2 LYS A 10 2.464 12.900 -4.837 1.00 0.00 H +ATOM 178 HG3 LYS A 10 4.223 13.023 -4.752 1.00 0.00 H +ATOM 179 HD2 LYS A 10 2.778 15.499 -5.450 1.00 0.00 H +ATOM 180 HD3 LYS A 10 2.540 14.906 -3.807 1.00 0.00 H +ATOM 181 HE2 LYS A 10 5.119 14.690 -3.768 1.00 0.00 H +ATOM 182 HE3 LYS A 10 5.068 15.780 -5.157 1.00 0.00 H +ATOM 183 HZ1 LYS A 10 4.067 17.453 -3.871 1.00 0.00 H +ATOM 184 HZ2 LYS A 10 5.325 16.853 -2.914 1.00 0.00 H +ATOM 185 HZ3 LYS A 10 3.725 16.407 -2.591 1.00 0.00 H +ATOM 186 N GLN A 11 3.228 13.737 -9.485 1.00 0.00 N +ATOM 187 CA GLN A 11 3.464 13.488 -10.904 1.00 0.00 C +ATOM 188 C GLN A 11 3.440 11.994 -11.214 1.00 0.00 C +ATOM 189 O GLN A 11 3.063 11.585 -12.312 1.00 0.00 O +ATOM 190 CB GLN A 11 4.804 14.093 -11.331 1.00 0.00 C +ATOM 191 CG GLN A 11 5.951 13.736 -10.400 1.00 0.00 C +ATOM 192 CD GLN A 11 6.917 12.733 -11.014 1.00 0.00 C +ATOM 193 OE1 GLN A 11 7.277 11.737 -10.393 1.00 0.00 O +ATOM 194 NE2 GLN A 11 7.338 13.010 -12.246 1.00 0.00 N +ATOM 195 H GLN A 11 3.864 14.289 -8.984 1.00 0.00 H +ATOM 196 HA GLN A 11 2.673 13.971 -11.458 1.00 0.00 H +ATOM 197 HB2 GLN A 11 5.048 13.734 -12.323 1.00 0.00 H +ATOM 198 HB3 GLN A 11 4.714 15.170 -11.357 1.00 0.00 H +ATOM 199 HG2 GLN A 11 6.497 14.629 -10.155 1.00 0.00 H +ATOM 200 HG3 GLN A 11 5.544 13.303 -9.495 1.00 0.00 H +ATOM 201 HE21 GLN A 11 7.009 13.823 -12.681 1.00 0.00 H +ATOM 202 HE22 GLN A 11 7.962 12.383 -12.668 1.00 0.00 H +ATOM 203 N ALA A 12 3.839 11.194 -10.236 1.00 0.00 N +ATOM 204 CA ALA A 12 3.860 9.749 -10.396 1.00 0.00 C +ATOM 205 C ALA A 12 3.282 9.059 -9.166 1.00 0.00 C +ATOM 206 O ALA A 12 3.140 9.674 -8.109 1.00 0.00 O +ATOM 207 CB ALA A 12 5.279 9.266 -10.656 1.00 0.00 C +ATOM 208 H ALA A 12 4.126 11.579 -9.382 1.00 0.00 H +ATOM 209 HA ALA A 12 3.256 9.498 -11.256 1.00 0.00 H +ATOM 210 HB1 ALA A 12 5.472 9.269 -11.720 1.00 0.00 H +ATOM 211 HB2 ALA A 12 5.394 8.263 -10.272 1.00 0.00 H +ATOM 212 HB3 ALA A 12 5.980 9.924 -10.162 1.00 0.00 H +ATOM 213 N LYS A 13 2.946 7.782 -9.309 1.00 0.00 N +ATOM 214 CA LYS A 13 2.380 7.016 -8.204 1.00 0.00 C +ATOM 215 C LYS A 13 3.480 6.365 -7.370 1.00 0.00 C +ATOM 216 O LYS A 13 4.624 6.258 -7.813 1.00 0.00 O +ATOM 217 CB LYS A 13 1.420 5.946 -8.731 1.00 0.00 C +ATOM 218 CG LYS A 13 1.983 5.137 -9.888 1.00 0.00 C +ATOM 219 CD LYS A 13 1.535 5.696 -11.229 1.00 0.00 C +ATOM 220 CE LYS A 13 1.067 4.595 -12.165 1.00 0.00 C +ATOM 221 NZ LYS A 13 1.139 5.011 -13.594 1.00 0.00 N +ATOM 222 H LYS A 13 3.081 7.345 -10.175 1.00 0.00 H +ATOM 223 HA LYS A 13 1.831 7.702 -7.579 1.00 0.00 H +ATOM 224 HB2 LYS A 13 1.183 5.266 -7.925 1.00 0.00 H +ATOM 225 HB3 LYS A 13 0.512 6.427 -9.063 1.00 0.00 H +ATOM 226 HG2 LYS A 13 3.061 5.162 -9.841 1.00 0.00 H +ATOM 227 HG3 LYS A 13 1.640 4.116 -9.800 1.00 0.00 H +ATOM 228 HD2 LYS A 13 0.722 6.387 -11.068 1.00 0.00 H +ATOM 229 HD3 LYS A 13 2.365 6.216 -11.686 1.00 0.00 H +ATOM 230 HE2 LYS A 13 1.693 3.726 -12.021 1.00 0.00 H +ATOM 231 HE3 LYS A 13 0.045 4.345 -11.923 1.00 0.00 H +ATOM 232 HZ1 LYS A 13 2.018 4.660 -14.025 1.00 0.00 H +ATOM 233 HZ2 LYS A 13 1.120 6.048 -13.665 1.00 0.00 H +ATOM 234 HZ3 LYS A 13 0.329 4.625 -14.120 1.00 0.00 H +ATOM 235 N GLU A 14 3.130 5.930 -6.161 1.00 0.00 N +ATOM 236 CA GLU A 14 4.096 5.290 -5.277 1.00 0.00 C +ATOM 237 C GLU A 14 3.977 3.774 -5.355 1.00 0.00 C +ATOM 238 O GLU A 14 2.948 3.245 -5.774 1.00 0.00 O +ATOM 239 CB GLU A 14 3.893 5.758 -3.835 1.00 0.00 C +ATOM 240 CG GLU A 14 4.815 6.896 -3.429 1.00 0.00 C +ATOM 241 CD GLU A 14 4.120 7.931 -2.566 1.00 0.00 C +ATOM 242 OE1 GLU A 14 3.086 7.594 -1.952 1.00 0.00 O +ATOM 243 OE2 GLU A 14 4.611 9.078 -2.504 1.00 0.00 O +ATOM 244 H GLU A 14 2.199 6.039 -5.859 1.00 0.00 H +ATOM 245 HA GLU A 14 5.084 5.578 -5.603 1.00 0.00 H +ATOM 246 HB2 GLU A 14 2.871 6.094 -3.719 1.00 0.00 H +ATOM 247 HB3 GLU A 14 4.070 4.924 -3.167 1.00 0.00 H +ATOM 248 HG2 GLU A 14 5.647 6.487 -2.875 1.00 0.00 H +ATOM 249 HG3 GLU A 14 5.182 7.381 -4.323 1.00 0.00 H +ATOM 250 N GLU A 15 5.036 3.079 -4.950 1.00 0.00 N +ATOM 251 CA GLU A 15 5.050 1.621 -4.975 1.00 0.00 C +ATOM 252 C GLU A 15 5.851 1.064 -3.802 1.00 0.00 C +ATOM 253 O GLU A 15 6.899 1.599 -3.444 1.00 0.00 O +ATOM 254 CB GLU A 15 5.641 1.119 -6.295 1.00 0.00 C +ATOM 255 CG GLU A 15 4.591 0.776 -7.339 1.00 0.00 C +ATOM 256 CD GLU A 15 4.500 1.816 -8.439 1.00 0.00 C +ATOM 257 OE1 GLU A 15 3.993 2.924 -8.167 1.00 0.00 O +ATOM 258 OE2 GLU A 15 4.935 1.521 -9.572 1.00 0.00 O +ATOM 259 H GLU A 15 5.827 3.559 -4.628 1.00 0.00 H +ATOM 260 HA GLU A 15 4.031 1.278 -4.895 1.00 0.00 H +ATOM 261 HB2 GLU A 15 6.285 1.884 -6.702 1.00 0.00 H +ATOM 262 HB3 GLU A 15 6.227 0.232 -6.101 1.00 0.00 H +ATOM 263 HG2 GLU A 15 4.842 -0.175 -7.785 1.00 0.00 H +ATOM 264 HG3 GLU A 15 3.629 0.702 -6.854 1.00 0.00 H +ATOM 265 N ALA A 16 5.348 -0.012 -3.206 1.00 0.00 N +ATOM 266 CA ALA A 16 6.018 -0.639 -2.073 1.00 0.00 C +ATOM 267 C ALA A 16 5.533 -2.070 -1.869 1.00 0.00 C +ATOM 268 O ALA A 16 4.361 -2.378 -2.091 1.00 0.00 O +ATOM 269 CB ALA A 16 5.797 0.179 -0.810 1.00 0.00 C +ATOM 270 H ALA A 16 4.507 -0.394 -3.537 1.00 0.00 H +ATOM 271 HA ALA A 16 7.078 -0.656 -2.282 1.00 0.00 H +ATOM 272 HB1 ALA A 16 5.763 -0.479 0.045 1.00 0.00 H +ATOM 273 HB2 ALA A 16 4.863 0.715 -0.889 1.00 0.00 H +ATOM 274 HB3 ALA A 16 6.607 0.883 -0.690 1.00 0.00 H +ATOM 275 N ILE A 17 6.442 -2.943 -1.444 1.00 0.00 N +ATOM 276 CA ILE A 17 6.107 -4.343 -1.208 1.00 0.00 C +ATOM 277 C ILE A 17 6.350 -4.727 0.247 1.00 0.00 C +ATOM 278 O ILE A 17 7.465 -4.606 0.754 1.00 0.00 O +ATOM 279 CB ILE A 17 6.924 -5.283 -2.116 1.00 0.00 C +ATOM 280 CG1 ILE A 17 8.379 -4.816 -2.206 1.00 0.00 C +ATOM 281 CG2 ILE A 17 6.297 -5.355 -3.501 1.00 0.00 C +ATOM 282 CD1 ILE A 17 9.366 -5.946 -2.391 1.00 0.00 C +ATOM 283 H ILE A 17 7.358 -2.637 -1.284 1.00 0.00 H +ATOM 284 HA ILE A 17 5.060 -4.478 -1.435 1.00 0.00 H +ATOM 285 HB ILE A 17 6.898 -6.273 -1.686 1.00 0.00 H +ATOM 286 HG12 ILE A 17 8.483 -4.144 -3.045 1.00 0.00 H +ATOM 287 HG13 ILE A 17 8.638 -4.293 -1.297 1.00 0.00 H +ATOM 288 HG21 ILE A 17 5.621 -6.196 -3.546 1.00 0.00 H +ATOM 289 HG22 ILE A 17 7.074 -5.478 -4.242 1.00 0.00 H +ATOM 290 HG23 ILE A 17 5.753 -4.445 -3.698 1.00 0.00 H +ATOM 291 HD11 ILE A 17 9.548 -6.096 -3.446 1.00 0.00 H +ATOM 292 HD12 ILE A 17 8.961 -6.852 -1.965 1.00 0.00 H +ATOM 293 HD13 ILE A 17 10.294 -5.699 -1.898 1.00 0.00 H +ATOM 294 N LYS A 18 5.298 -5.190 0.913 1.00 0.00 N +ATOM 295 CA LYS A 18 5.394 -5.592 2.309 1.00 0.00 C +ATOM 296 C LYS A 18 4.535 -6.820 2.585 1.00 0.00 C +ATOM 297 O LYS A 18 3.307 -6.763 2.510 1.00 0.00 O +ATOM 298 CB LYS A 18 4.967 -4.442 3.222 1.00 0.00 C +ATOM 299 CG LYS A 18 5.823 -4.305 4.468 1.00 0.00 C +ATOM 300 CD LYS A 18 7.229 -3.835 4.127 1.00 0.00 C +ATOM 301 CE LYS A 18 7.570 -2.531 4.831 1.00 0.00 C +ATOM 302 NZ LYS A 18 7.271 -1.345 3.983 1.00 0.00 N +ATOM 303 H LYS A 18 4.437 -5.262 0.455 1.00 0.00 H +ATOM 304 HA LYS A 18 6.425 -5.836 2.514 1.00 0.00 H +ATOM 305 HB2 LYS A 18 5.030 -3.518 2.666 1.00 0.00 H +ATOM 306 HB3 LYS A 18 3.943 -4.599 3.528 1.00 0.00 H +ATOM 307 HG2 LYS A 18 5.363 -3.588 5.132 1.00 0.00 H +ATOM 308 HG3 LYS A 18 5.882 -5.265 4.959 1.00 0.00 H +ATOM 309 HD2 LYS A 18 7.934 -4.593 4.433 1.00 0.00 H +ATOM 310 HD3 LYS A 18 7.298 -3.686 3.059 1.00 0.00 H +ATOM 311 HE2 LYS A 18 6.992 -2.466 5.741 1.00 0.00 H +ATOM 312 HE3 LYS A 18 8.623 -2.533 5.074 1.00 0.00 H +ATOM 313 HZ1 LYS A 18 6.589 -1.599 3.240 1.00 0.00 H +ATOM 314 HZ2 LYS A 18 8.143 -0.996 3.535 1.00 0.00 H +ATOM 315 HZ3 LYS A 18 6.866 -0.583 4.563 1.00 0.00 H +ATOM 316 N GLU A 19 5.190 -7.928 2.909 1.00 0.00 N +ATOM 317 CA GLU A 19 4.495 -9.170 3.204 1.00 0.00 C +ATOM 318 C GLU A 19 4.570 -9.477 4.693 1.00 0.00 C +ATOM 319 O GLU A 19 5.612 -9.887 5.205 1.00 0.00 O +ATOM 320 CB GLU A 19 5.100 -10.323 2.400 1.00 0.00 C +ATOM 321 CG GLU A 19 6.605 -10.456 2.568 1.00 0.00 C +ATOM 322 CD GLU A 19 7.371 -10.044 1.325 1.00 0.00 C +ATOM 323 OE1 GLU A 19 7.105 -8.941 0.802 1.00 0.00 O +ATOM 324 OE2 GLU A 19 8.237 -10.823 0.874 1.00 0.00 O +ATOM 325 H GLU A 19 6.162 -7.907 2.958 1.00 0.00 H +ATOM 326 HA GLU A 19 3.460 -9.048 2.924 1.00 0.00 H +ATOM 327 HB2 GLU A 19 4.641 -11.248 2.717 1.00 0.00 H +ATOM 328 HB3 GLU A 19 4.889 -10.166 1.353 1.00 0.00 H +ATOM 329 HG2 GLU A 19 6.921 -9.830 3.389 1.00 0.00 H +ATOM 330 HG3 GLU A 19 6.840 -11.487 2.792 1.00 0.00 H +ATOM 331 N LEU A 20 3.457 -9.272 5.381 1.00 0.00 N +ATOM 332 CA LEU A 20 3.383 -9.519 6.815 1.00 0.00 C +ATOM 333 C LEU A 20 2.781 -10.891 7.102 1.00 0.00 C +ATOM 334 O LEU A 20 2.472 -11.649 6.183 1.00 0.00 O +ATOM 335 CB LEU A 20 2.552 -8.430 7.497 1.00 0.00 C +ATOM 336 CG LEU A 20 3.291 -7.113 7.746 1.00 0.00 C +ATOM 337 CD1 LEU A 20 4.379 -7.302 8.791 1.00 0.00 C +ATOM 338 CD2 LEU A 20 3.882 -6.583 6.448 1.00 0.00 C +ATOM 339 H LEU A 20 2.667 -8.938 4.909 1.00 0.00 H +ATOM 340 HA LEU A 20 4.387 -9.490 7.208 1.00 0.00 H +ATOM 341 HB2 LEU A 20 1.690 -8.224 6.879 1.00 0.00 H +ATOM 342 HB3 LEU A 20 2.209 -8.809 8.448 1.00 0.00 H +ATOM 343 HG LEU A 20 2.591 -6.381 8.120 1.00 0.00 H +ATOM 344 HD11 LEU A 20 3.990 -7.045 9.765 1.00 0.00 H +ATOM 345 HD12 LEU A 20 5.217 -6.662 8.557 1.00 0.00 H +ATOM 346 HD13 LEU A 20 4.701 -8.333 8.791 1.00 0.00 H +ATOM 347 HD21 LEU A 20 4.885 -6.965 6.327 1.00 0.00 H +ATOM 348 HD22 LEU A 20 3.910 -5.503 6.481 1.00 0.00 H +ATOM 349 HD23 LEU A 20 3.271 -6.902 5.617 1.00 0.00 H +ATOM 350 N VAL A 21 2.620 -11.203 8.384 1.00 0.00 N +ATOM 351 CA VAL A 21 2.059 -12.484 8.795 1.00 0.00 C +ATOM 352 C VAL A 21 0.565 -12.556 8.492 1.00 0.00 C +ATOM 353 O VAL A 21 0.036 -13.624 8.188 1.00 0.00 O +ATOM 354 CB VAL A 21 2.279 -12.737 10.298 1.00 0.00 C +ATOM 355 CG1 VAL A 21 1.834 -14.143 10.677 1.00 0.00 C +ATOM 356 CG2 VAL A 21 3.739 -12.515 10.670 1.00 0.00 C +ATOM 357 H VAL A 21 2.888 -10.557 9.070 1.00 0.00 H +ATOM 358 HA VAL A 21 2.565 -13.262 8.242 1.00 0.00 H +ATOM 359 HB VAL A 21 1.678 -12.033 10.853 1.00 0.00 H +ATOM 360 HG11 VAL A 21 2.143 -14.837 9.909 1.00 0.00 H +ATOM 361 HG12 VAL A 21 0.759 -14.166 10.773 1.00 0.00 H +ATOM 362 HG13 VAL A 21 2.286 -14.422 11.617 1.00 0.00 H +ATOM 363 HG21 VAL A 21 4.224 -11.935 9.900 1.00 0.00 H +ATOM 364 HG22 VAL A 21 4.235 -13.470 10.768 1.00 0.00 H +ATOM 365 HG23 VAL A 21 3.794 -11.983 11.609 1.00 0.00 H +ATOM 366 N ASP A 22 -0.110 -11.414 8.579 1.00 0.00 N +ATOM 367 CA ASP A 22 -1.539 -11.353 8.318 1.00 0.00 C +ATOM 368 C ASP A 22 -1.870 -10.166 7.411 1.00 0.00 C +ATOM 369 O ASP A 22 -1.059 -9.774 6.572 1.00 0.00 O +ATOM 370 CB ASP A 22 -2.307 -11.259 9.641 1.00 0.00 C +ATOM 371 CG ASP A 22 -1.797 -12.241 10.679 1.00 0.00 C +ATOM 372 OD1 ASP A 22 -0.610 -12.144 11.054 1.00 0.00 O +ATOM 373 OD2 ASP A 22 -2.584 -13.106 11.116 1.00 0.00 O +ATOM 374 H ASP A 22 0.362 -10.594 8.827 1.00 0.00 H +ATOM 375 HA ASP A 22 -1.821 -12.263 7.811 1.00 0.00 H +ATOM 376 HB2 ASP A 22 -2.207 -10.260 10.039 1.00 0.00 H +ATOM 377 HB3 ASP A 22 -3.352 -11.467 9.459 1.00 0.00 H +ATOM 378 N ALA A 23 -3.061 -9.601 7.579 1.00 0.00 N +ATOM 379 CA ALA A 23 -3.492 -8.466 6.771 1.00 0.00 C +ATOM 380 C ALA A 23 -3.815 -7.248 7.635 1.00 0.00 C +ATOM 381 O ALA A 23 -4.168 -6.191 7.117 1.00 0.00 O +ATOM 382 CB ALA A 23 -4.702 -8.852 5.934 1.00 0.00 C +ATOM 383 H ALA A 23 -3.664 -9.957 8.259 1.00 0.00 H +ATOM 384 HA ALA A 23 -2.687 -8.213 6.096 1.00 0.00 H +ATOM 385 HB1 ALA A 23 -5.416 -9.375 6.554 1.00 0.00 H +ATOM 386 HB2 ALA A 23 -4.390 -9.494 5.124 1.00 0.00 H +ATOM 387 HB3 ALA A 23 -5.160 -7.960 5.531 1.00 0.00 H +ATOM 388 N GLY A 24 -3.688 -7.397 8.950 1.00 0.00 N +ATOM 389 CA GLY A 24 -3.969 -6.294 9.850 1.00 0.00 C +ATOM 390 C GLY A 24 -2.742 -5.447 10.106 1.00 0.00 C +ATOM 391 O GLY A 24 -2.699 -4.274 9.732 1.00 0.00 O +ATOM 392 H GLY A 24 -3.398 -8.255 9.311 1.00 0.00 H +ATOM 393 HA2 GLY A 24 -4.741 -5.674 9.417 1.00 0.00 H +ATOM 394 HA3 GLY A 24 -4.324 -6.690 10.790 1.00 0.00 H +ATOM 395 N THR A 25 -1.738 -6.044 10.738 1.00 0.00 N +ATOM 396 CA THR A 25 -0.495 -5.343 11.035 1.00 0.00 C +ATOM 397 C THR A 25 0.082 -4.724 9.765 1.00 0.00 C +ATOM 398 O THR A 25 0.707 -3.664 9.806 1.00 0.00 O +ATOM 399 CB THR A 25 0.521 -6.301 11.661 1.00 0.00 C +ATOM 400 OG1 THR A 25 -0.133 -7.284 12.438 1.00 0.00 O +ATOM 401 CG2 THR A 25 1.532 -5.606 12.544 1.00 0.00 C +ATOM 402 H THR A 25 -1.834 -6.982 11.004 1.00 0.00 H +ATOM 403 HA THR A 25 -0.716 -4.556 11.730 1.00 0.00 H +ATOM 404 HB THR A 25 1.063 -6.801 10.871 1.00 0.00 H +ATOM 405 HG1 THR A 25 -0.611 -6.856 13.157 1.00 0.00 H +ATOM 406 HG21 THR A 25 1.203 -5.654 13.573 1.00 0.00 H +ATOM 407 HG22 THR A 25 1.624 -4.572 12.247 1.00 0.00 H +ATOM 408 HG23 THR A 25 2.490 -6.095 12.449 1.00 0.00 H +ATOM 409 N ALA A 26 -0.145 -5.391 8.637 1.00 0.00 N +ATOM 410 CA ALA A 26 0.337 -4.907 7.352 1.00 0.00 C +ATOM 411 C ALA A 26 -0.583 -3.820 6.813 1.00 0.00 C +ATOM 412 O ALA A 26 -0.132 -2.882 6.156 1.00 0.00 O +ATOM 413 CB ALA A 26 0.445 -6.057 6.361 1.00 0.00 C +ATOM 414 H ALA A 26 -0.656 -6.225 8.667 1.00 0.00 H +ATOM 415 HA ALA A 26 1.324 -4.492 7.500 1.00 0.00 H +ATOM 416 HB1 ALA A 26 -0.199 -5.867 5.515 1.00 0.00 H +ATOM 417 HB2 ALA A 26 0.145 -6.976 6.842 1.00 0.00 H +ATOM 418 HB3 ALA A 26 1.467 -6.145 6.023 1.00 0.00 H +ATOM 419 N GLU A 27 -1.877 -3.947 7.101 1.00 0.00 N +ATOM 420 CA GLU A 27 -2.854 -2.963 6.643 1.00 0.00 C +ATOM 421 C GLU A 27 -2.688 -1.650 7.404 1.00 0.00 C +ATOM 422 O GLU A 27 -2.926 -0.571 6.863 1.00 0.00 O +ATOM 423 CB GLU A 27 -4.278 -3.502 6.815 1.00 0.00 C +ATOM 424 CG GLU A 27 -5.371 -2.469 6.579 1.00 0.00 C +ATOM 425 CD GLU A 27 -6.354 -2.383 7.732 1.00 0.00 C +ATOM 426 OE1 GLU A 27 -6.807 -3.447 8.204 1.00 0.00 O +ATOM 427 OE2 GLU A 27 -6.669 -1.254 8.160 1.00 0.00 O +ATOM 428 H GLU A 27 -2.181 -4.718 7.636 1.00 0.00 H +ATOM 429 HA GLU A 27 -2.672 -2.780 5.594 1.00 0.00 H +ATOM 430 HB2 GLU A 27 -4.428 -4.310 6.115 1.00 0.00 H +ATOM 431 HB3 GLU A 27 -4.386 -3.885 7.820 1.00 0.00 H +ATOM 432 HG2 GLU A 27 -4.914 -1.500 6.446 1.00 0.00 H +ATOM 433 HG3 GLU A 27 -5.912 -2.735 5.683 1.00 0.00 H +ATOM 434 N LYS A 28 -2.279 -1.754 8.663 1.00 0.00 N +ATOM 435 CA LYS A 28 -2.080 -0.577 9.503 1.00 0.00 C +ATOM 436 C LYS A 28 -0.768 0.121 9.164 1.00 0.00 C +ATOM 437 O LYS A 28 -0.740 1.328 8.924 1.00 0.00 O +ATOM 438 CB LYS A 28 -2.094 -0.973 10.979 1.00 0.00 C +ATOM 439 CG LYS A 28 -3.491 -1.063 11.569 1.00 0.00 C +ATOM 440 CD LYS A 28 -3.534 -0.512 12.981 1.00 0.00 C +ATOM 441 CE LYS A 28 -3.431 -1.622 14.015 1.00 0.00 C +ATOM 442 NZ LYS A 28 -4.324 -1.377 15.186 1.00 0.00 N +ATOM 443 H LYS A 28 -2.106 -2.641 9.035 1.00 0.00 H +ATOM 444 HA LYS A 28 -2.896 0.105 9.315 1.00 0.00 H +ATOM 445 HB2 LYS A 28 -1.618 -1.937 11.085 1.00 0.00 H +ATOM 446 HB3 LYS A 28 -1.533 -0.242 11.535 1.00 0.00 H +ATOM 447 HG2 LYS A 28 -4.170 -0.495 10.951 1.00 0.00 H +ATOM 448 HG3 LYS A 28 -3.798 -2.099 11.585 1.00 0.00 H +ATOM 449 HD2 LYS A 28 -2.707 0.168 13.115 1.00 0.00 H +ATOM 450 HD3 LYS A 28 -4.466 0.016 13.124 1.00 0.00 H +ATOM 451 HE2 LYS A 28 -3.710 -2.556 13.552 1.00 0.00 H +ATOM 452 HE3 LYS A 28 -2.410 -1.682 14.362 1.00 0.00 H +ATOM 453 HZ1 LYS A 28 -4.705 -2.280 15.537 1.00 0.00 H +ATOM 454 HZ2 LYS A 28 -5.116 -0.764 14.902 1.00 0.00 H +ATOM 455 HZ3 LYS A 28 -3.793 -0.916 15.944 1.00 0.00 H +ATOM 456 N TYR A 29 0.320 -0.645 9.145 1.00 0.00 N +ATOM 457 CA TYR A 29 1.637 -0.098 8.835 1.00 0.00 C +ATOM 458 C TYR A 29 1.620 0.638 7.498 1.00 0.00 C +ATOM 459 O TYR A 29 2.165 1.735 7.375 1.00 0.00 O +ATOM 460 CB TYR A 29 2.682 -1.216 8.805 1.00 0.00 C +ATOM 461 CG TYR A 29 3.941 -0.891 9.578 1.00 0.00 C +ATOM 462 CD1 TYR A 29 4.639 0.286 9.342 1.00 0.00 C +ATOM 463 CD2 TYR A 29 4.430 -1.763 10.542 1.00 0.00 C +ATOM 464 CE1 TYR A 29 5.790 0.585 10.046 1.00 0.00 C +ATOM 465 CE2 TYR A 29 5.580 -1.470 11.250 1.00 0.00 C +ATOM 466 CZ TYR A 29 6.256 -0.296 10.999 1.00 0.00 C +ATOM 467 OH TYR A 29 7.402 -0.001 11.702 1.00 0.00 O +ATOM 468 H TYR A 29 0.234 -1.601 9.345 1.00 0.00 H +ATOM 469 HA TYR A 29 1.896 0.604 9.615 1.00 0.00 H +ATOM 470 HB2 TYR A 29 2.252 -2.111 9.235 1.00 0.00 H +ATOM 471 HB3 TYR A 29 2.962 -1.412 7.777 1.00 0.00 H +ATOM 472 HD1 TYR A 29 4.272 0.975 8.596 1.00 0.00 H +ATOM 473 HD2 TYR A 29 3.898 -2.682 10.737 1.00 0.00 H +ATOM 474 HE1 TYR A 29 6.320 1.506 9.849 1.00 0.00 H +ATOM 475 HE2 TYR A 29 5.944 -2.161 11.997 1.00 0.00 H +ATOM 476 HH TYR A 29 8.062 0.356 11.104 1.00 0.00 H +ATOM 477 N PHE A 30 0.988 0.028 6.502 1.00 0.00 N +ATOM 478 CA PHE A 30 0.894 0.625 5.175 1.00 0.00 C +ATOM 479 C PHE A 30 0.044 1.890 5.214 1.00 0.00 C +ATOM 480 O PHE A 30 0.351 2.876 4.544 1.00 0.00 O +ATOM 481 CB PHE A 30 0.298 -0.381 4.182 1.00 0.00 C +ATOM 482 CG PHE A 30 1.308 -1.055 3.283 1.00 0.00 C +ATOM 483 CD1 PHE A 30 2.674 -0.933 3.505 1.00 0.00 C +ATOM 484 CD2 PHE A 30 0.879 -1.817 2.208 1.00 0.00 C +ATOM 485 CE1 PHE A 30 3.585 -1.554 2.674 1.00 0.00 C +ATOM 486 CE2 PHE A 30 1.787 -2.441 1.374 1.00 0.00 C +ATOM 487 CZ PHE A 30 3.141 -2.310 1.607 1.00 0.00 C +ATOM 488 H PHE A 30 0.572 -0.844 6.664 1.00 0.00 H +ATOM 489 HA PHE A 30 1.889 0.891 4.859 1.00 0.00 H +ATOM 490 HB2 PHE A 30 -0.214 -1.154 4.735 1.00 0.00 H +ATOM 491 HB3 PHE A 30 -0.415 0.133 3.550 1.00 0.00 H +ATOM 492 HD1 PHE A 30 3.027 -0.346 4.339 1.00 0.00 H +ATOM 493 HD2 PHE A 30 -0.178 -1.922 2.022 1.00 0.00 H +ATOM 494 HE1 PHE A 30 4.644 -1.450 2.857 1.00 0.00 H +ATOM 495 HE2 PHE A 30 1.438 -3.034 0.541 1.00 0.00 H +ATOM 496 HZ PHE A 30 3.851 -2.797 0.955 1.00 0.00 H +ATOM 497 N LYS A 31 -1.020 1.859 6.006 1.00 0.00 N +ATOM 498 CA LYS A 31 -1.907 3.007 6.134 1.00 0.00 C +ATOM 499 C LYS A 31 -1.187 4.164 6.820 1.00 0.00 C +ATOM 500 O LYS A 31 -1.415 5.329 6.498 1.00 0.00 O +ATOM 501 CB LYS A 31 -3.160 2.629 6.924 1.00 0.00 C +ATOM 502 CG LYS A 31 -4.361 3.505 6.612 1.00 0.00 C +ATOM 503 CD LYS A 31 -4.152 4.932 7.095 1.00 0.00 C +ATOM 504 CE LYS A 31 -5.402 5.486 7.757 1.00 0.00 C +ATOM 505 NZ LYS A 31 -5.217 6.894 8.206 1.00 0.00 N +ATOM 506 H LYS A 31 -1.211 1.046 6.520 1.00 0.00 H +ATOM 507 HA LYS A 31 -2.195 3.317 5.141 1.00 0.00 H +ATOM 508 HB2 LYS A 31 -3.419 1.606 6.696 1.00 0.00 H +ATOM 509 HB3 LYS A 31 -2.946 2.711 7.978 1.00 0.00 H +ATOM 510 HG2 LYS A 31 -4.518 3.518 5.543 1.00 0.00 H +ATOM 511 HG3 LYS A 31 -5.232 3.093 7.101 1.00 0.00 H +ATOM 512 HD2 LYS A 31 -3.343 4.946 7.809 1.00 0.00 H +ATOM 513 HD3 LYS A 31 -3.897 5.554 6.249 1.00 0.00 H +ATOM 514 HE2 LYS A 31 -6.217 5.448 7.048 1.00 0.00 H +ATOM 515 HE3 LYS A 31 -5.642 4.873 8.613 1.00 0.00 H +ATOM 516 HZ1 LYS A 31 -4.204 7.105 8.312 1.00 0.00 H +ATOM 517 HZ2 LYS A 31 -5.690 7.042 9.119 1.00 0.00 H +ATOM 518 HZ3 LYS A 31 -5.623 7.548 7.507 1.00 0.00 H +ATOM 519 N LEU A 32 -0.316 3.831 7.767 1.00 0.00 N +ATOM 520 CA LEU A 32 0.442 4.837 8.499 1.00 0.00 C +ATOM 521 C LEU A 32 1.398 5.578 7.568 1.00 0.00 C +ATOM 522 O LEU A 32 1.285 6.790 7.381 1.00 0.00 O +ATOM 523 CB LEU A 32 1.224 4.182 9.640 1.00 0.00 C +ATOM 524 CG LEU A 32 2.157 5.121 10.409 1.00 0.00 C +ATOM 525 CD1 LEU A 32 1.690 5.279 11.850 1.00 0.00 C +ATOM 526 CD2 LEU A 32 3.589 4.608 10.370 1.00 0.00 C +ATOM 527 H LEU A 32 -0.178 2.884 7.976 1.00 0.00 H +ATOM 528 HA LEU A 32 -0.259 5.545 8.914 1.00 0.00 H +ATOM 529 HB2 LEU A 32 0.514 3.758 10.328 1.00 0.00 H +ATOM 530 HB3 LEU A 32 1.819 3.380 9.225 1.00 0.00 H +ATOM 531 HG LEU A 32 2.138 6.096 9.947 1.00 0.00 H +ATOM 532 HD11 LEU A 32 1.521 4.304 12.279 1.00 0.00 H +ATOM 533 HD12 LEU A 32 0.772 5.846 11.864 1.00 0.00 H +ATOM 534 HD13 LEU A 32 2.447 5.799 12.416 1.00 0.00 H +ATOM 535 HD21 LEU A 32 4.111 5.064 9.541 1.00 0.00 H +ATOM 536 HD22 LEU A 32 3.582 3.534 10.243 1.00 0.00 H +ATOM 537 HD23 LEU A 32 4.090 4.858 11.290 1.00 0.00 H +ATOM 538 N ILE A 33 2.340 4.841 6.988 1.00 0.00 N +ATOM 539 CA ILE A 33 3.317 5.426 6.077 1.00 0.00 C +ATOM 540 C ILE A 33 2.634 6.108 4.894 1.00 0.00 C +ATOM 541 O ILE A 33 2.994 7.223 4.516 1.00 0.00 O +ATOM 542 CB ILE A 33 4.300 4.360 5.549 1.00 0.00 C +ATOM 543 CG1 ILE A 33 5.377 5.009 4.678 1.00 0.00 C +ATOM 544 CG2 ILE A 33 3.553 3.287 4.769 1.00 0.00 C +ATOM 545 CD1 ILE A 33 6.193 6.055 5.406 1.00 0.00 C +ATOM 546 H ILE A 33 2.378 3.880 7.178 1.00 0.00 H +ATOM 547 HA ILE A 33 3.883 6.165 6.626 1.00 0.00 H +ATOM 548 HB ILE A 33 4.771 3.888 6.398 1.00 0.00 H +ATOM 549 HG12 ILE A 33 6.054 4.246 4.325 1.00 0.00 H +ATOM 550 HG13 ILE A 33 4.905 5.485 3.830 1.00 0.00 H +ATOM 551 HG21 ILE A 33 3.184 3.705 3.844 1.00 0.00 H +ATOM 552 HG22 ILE A 33 2.723 2.925 5.357 1.00 0.00 H +ATOM 553 HG23 ILE A 33 4.223 2.468 4.552 1.00 0.00 H +ATOM 554 HD11 ILE A 33 7.224 5.992 5.089 1.00 0.00 H +ATOM 555 HD12 ILE A 33 6.132 5.882 6.470 1.00 0.00 H +ATOM 556 HD13 ILE A 33 5.806 7.037 5.178 1.00 0.00 H +ATOM 557 N ALA A 34 1.648 5.432 4.312 1.00 0.00 N +ATOM 558 CA ALA A 34 0.919 5.973 3.171 1.00 0.00 C +ATOM 559 C ALA A 34 0.278 7.314 3.512 1.00 0.00 C +ATOM 560 O ALA A 34 0.472 8.303 2.805 1.00 0.00 O +ATOM 561 CB ALA A 34 -0.139 4.985 2.703 1.00 0.00 C +ATOM 562 H ALA A 34 1.407 4.546 4.656 1.00 0.00 H +ATOM 563 HA ALA A 34 1.623 6.118 2.364 1.00 0.00 H +ATOM 564 HB1 ALA A 34 0.336 4.060 2.415 1.00 0.00 H +ATOM 565 HB2 ALA A 34 -0.668 5.398 1.856 1.00 0.00 H +ATOM 566 HB3 ALA A 34 -0.837 4.798 3.506 1.00 0.00 H +ATOM 567 N ASN A 35 -0.486 7.341 4.598 1.00 0.00 N +ATOM 568 CA ASN A 35 -1.156 8.563 5.029 1.00 0.00 C +ATOM 569 C ASN A 35 -0.146 9.664 5.335 1.00 0.00 C +ATOM 570 O ASN A 35 -0.454 10.851 5.223 1.00 0.00 O +ATOM 571 CB ASN A 35 -2.019 8.289 6.264 1.00 0.00 C +ATOM 572 CG ASN A 35 -3.194 9.242 6.370 1.00 0.00 C +ATOM 573 OD1 ASN A 35 -4.311 8.914 5.969 1.00 0.00 O +ATOM 574 ND2 ASN A 35 -2.949 10.427 6.913 1.00 0.00 N +ATOM 575 H ASN A 35 -0.605 6.521 5.121 1.00 0.00 H +ATOM 576 HA ASN A 35 -1.793 8.891 4.224 1.00 0.00 H +ATOM 577 HB2 ASN A 35 -2.402 7.281 6.211 1.00 0.00 H +ATOM 578 HB3 ASN A 35 -1.412 8.394 7.150 1.00 0.00 H +ATOM 579 HD21 ASN A 35 -2.034 10.620 7.210 1.00 0.00 H +ATOM 580 HD22 ASN A 35 -3.691 11.062 6.994 1.00 0.00 H +ATOM 581 N ALA A 36 1.062 9.264 5.724 1.00 0.00 N +ATOM 582 CA ALA A 36 2.115 10.220 6.046 1.00 0.00 C +ATOM 583 C ALA A 36 2.776 10.760 4.783 1.00 0.00 C +ATOM 584 O ALA A 36 3.127 11.938 4.709 1.00 0.00 O +ATOM 585 CB ALA A 36 3.151 9.574 6.953 1.00 0.00 C +ATOM 586 H ALA A 36 1.249 8.305 5.797 1.00 0.00 H +ATOM 587 HA ALA A 36 1.665 11.043 6.583 1.00 0.00 H +ATOM 588 HB1 ALA A 36 2.704 8.743 7.477 1.00 0.00 H +ATOM 589 HB2 ALA A 36 3.506 10.302 7.668 1.00 0.00 H +ATOM 590 HB3 ALA A 36 3.981 9.221 6.358 1.00 0.00 H +ATOM 591 N LYS A 37 2.947 9.892 3.790 1.00 0.00 N +ATOM 592 CA LYS A 37 3.569 10.283 2.531 1.00 0.00 C +ATOM 593 C LYS A 37 2.695 11.286 1.780 1.00 0.00 C +ATOM 594 O LYS A 37 2.951 12.490 1.810 1.00 0.00 O +ATOM 595 CB LYS A 37 3.827 9.051 1.660 1.00 0.00 C +ATOM 596 CG LYS A 37 5.292 8.649 1.594 1.00 0.00 C +ATOM 597 CD LYS A 37 5.966 9.201 0.348 1.00 0.00 C +ATOM 598 CE LYS A 37 7.425 9.538 0.606 1.00 0.00 C +ATOM 599 NZ LYS A 37 7.607 10.963 0.997 1.00 0.00 N +ATOM 600 H LYS A 37 2.648 8.965 3.909 1.00 0.00 H +ATOM 601 HA LYS A 37 4.514 10.753 2.763 1.00 0.00 H +ATOM 602 HB2 LYS A 37 3.266 8.219 2.059 1.00 0.00 H +ATOM 603 HB3 LYS A 37 3.487 9.255 0.655 1.00 0.00 H +ATOM 604 HG2 LYS A 37 5.801 9.034 2.466 1.00 0.00 H +ATOM 605 HG3 LYS A 37 5.359 7.572 1.581 1.00 0.00 H +ATOM 606 HD2 LYS A 37 5.912 8.462 -0.436 1.00 0.00 H +ATOM 607 HD3 LYS A 37 5.448 10.097 0.038 1.00 0.00 H +ATOM 608 HE2 LYS A 37 7.792 8.906 1.402 1.00 0.00 H +ATOM 609 HE3 LYS A 37 7.990 9.345 -0.294 1.00 0.00 H +ATOM 610 HZ1 LYS A 37 8.612 11.223 0.945 1.00 0.00 H +ATOM 611 HZ2 LYS A 37 7.270 11.112 1.969 1.00 0.00 H +ATOM 612 HZ3 LYS A 37 7.068 11.580 0.356 1.00 0.00 H +ATOM 613 N THR A 38 1.665 10.782 1.108 1.00 0.00 N +ATOM 614 CA THR A 38 0.757 11.635 0.349 1.00 0.00 C +ATOM 615 C THR A 38 -0.639 11.023 0.286 1.00 0.00 C +ATOM 616 O THR A 38 -0.820 9.914 -0.218 1.00 0.00 O +ATOM 617 CB THR A 38 1.297 11.856 -1.065 1.00 0.00 C +ATOM 618 OG1 THR A 38 0.355 12.555 -1.858 1.00 0.00 O +ATOM 619 CG2 THR A 38 1.638 10.568 -1.785 1.00 0.00 C +ATOM 620 H THR A 38 1.513 9.814 1.121 1.00 0.00 H +ATOM 621 HA THR A 38 0.700 12.578 0.856 1.00 0.00 H +ATOM 622 HB THR A 38 2.200 12.442 -1.004 1.00 0.00 H +ATOM 623 HG1 THR A 38 -0.404 11.989 -2.019 1.00 0.00 H +ATOM 624 HG21 THR A 38 0.783 9.910 -1.770 1.00 0.00 H +ATOM 625 HG22 THR A 38 2.471 10.089 -1.289 1.00 0.00 H +ATOM 626 HG23 THR A 38 1.907 10.788 -2.808 1.00 0.00 H +ATOM 627 N VAL A 39 -1.623 11.746 0.803 1.00 0.00 N +ATOM 628 CA VAL A 39 -3.005 11.287 0.805 1.00 0.00 C +ATOM 629 C VAL A 39 -3.975 12.457 0.915 1.00 0.00 C +ATOM 630 O VAL A 39 -3.874 13.276 1.827 1.00 0.00 O +ATOM 631 CB VAL A 39 -3.268 10.303 1.962 1.00 0.00 C +ATOM 632 CG1 VAL A 39 -2.403 9.060 1.814 1.00 0.00 C +ATOM 633 CG2 VAL A 39 -3.023 10.972 3.307 1.00 0.00 C +ATOM 634 H VAL A 39 -1.418 12.626 1.187 1.00 0.00 H +ATOM 635 HA VAL A 39 -3.183 10.771 -0.127 1.00 0.00 H +ATOM 636 HB VAL A 39 -4.303 9.999 1.920 1.00 0.00 H +ATOM 637 HG11 VAL A 39 -2.706 8.323 2.541 1.00 0.00 H +ATOM 638 HG12 VAL A 39 -1.367 9.321 1.975 1.00 0.00 H +ATOM 639 HG13 VAL A 39 -2.523 8.656 0.819 1.00 0.00 H +ATOM 640 HG21 VAL A 39 -3.708 11.789 3.432 1.00 0.00 H +ATOM 641 HG22 VAL A 39 -2.008 11.341 3.346 1.00 0.00 H +ATOM 642 HG23 VAL A 39 -3.176 10.255 4.099 1.00 0.00 H +ATOM 643 N GLU A 40 -4.911 12.526 -0.021 1.00 0.00 N +ATOM 644 CA GLU A 40 -5.899 13.592 -0.030 1.00 0.00 C +ATOM 645 C GLU A 40 -7.101 13.227 -0.897 1.00 0.00 C +ATOM 646 O GLU A 40 -8.248 13.492 -0.531 1.00 0.00 O +ATOM 647 CB GLU A 40 -5.268 14.890 -0.537 1.00 0.00 C +ATOM 648 CG GLU A 40 -4.845 15.838 0.577 1.00 0.00 C +ATOM 649 CD GLU A 40 -3.369 16.181 0.522 1.00 0.00 C +ATOM 650 OE1 GLU A 40 -2.562 15.436 1.107 1.00 0.00 O +ATOM 651 OE2 GLU A 40 -3.023 17.208 -0.109 1.00 0.00 O +ATOM 652 H GLU A 40 -4.935 11.846 -0.721 1.00 0.00 H +ATOM 653 HA GLU A 40 -6.237 13.746 0.983 1.00 0.00 H +ATOM 654 HB2 GLU A 40 -4.394 14.649 -1.127 1.00 0.00 H +ATOM 655 HB3 GLU A 40 -5.986 15.414 -1.166 1.00 0.00 H +ATOM 656 HG2 GLU A 40 -5.416 16.751 0.494 1.00 0.00 H +ATOM 657 HG3 GLU A 40 -5.055 15.367 1.528 1.00 0.00 H +ATOM 658 N GLY A 41 -6.834 12.625 -2.052 1.00 0.00 N +ATOM 659 CA GLY A 41 -7.904 12.241 -2.951 1.00 0.00 C +ATOM 660 C GLY A 41 -8.768 11.123 -2.390 1.00 0.00 C +ATOM 661 O GLY A 41 -9.209 11.190 -1.242 1.00 0.00 O +ATOM 662 H GLY A 41 -5.903 12.445 -2.297 1.00 0.00 H +ATOM 663 HA2 GLY A 41 -8.527 13.097 -3.139 1.00 0.00 H +ATOM 664 HA3 GLY A 41 -7.471 11.906 -3.886 1.00 0.00 H +ATOM 665 N VAL A 42 -9.020 10.113 -3.208 1.00 0.00 N +ATOM 666 CA VAL A 42 -9.843 8.981 -2.797 1.00 0.00 C +ATOM 667 C VAL A 42 -8.988 7.765 -2.467 1.00 0.00 C +ATOM 668 O VAL A 42 -7.952 7.534 -3.090 1.00 0.00 O +ATOM 669 CB VAL A 42 -10.862 8.605 -3.891 1.00 0.00 C +ATOM 670 CG1 VAL A 42 -10.147 8.173 -5.164 1.00 0.00 C +ATOM 671 CG2 VAL A 42 -11.795 7.508 -3.400 1.00 0.00 C +ATOM 672 H VAL A 42 -8.641 10.119 -4.111 1.00 0.00 H +ATOM 673 HA VAL A 42 -10.389 9.269 -1.911 1.00 0.00 H +ATOM 674 HB VAL A 42 -11.456 9.470 -4.115 1.00 0.00 H +ATOM 675 HG11 VAL A 42 -10.868 7.783 -5.867 1.00 0.00 H +ATOM 676 HG12 VAL A 42 -9.419 7.417 -4.931 1.00 0.00 H +ATOM 677 HG13 VAL A 42 -9.649 9.026 -5.601 1.00 0.00 H +ATOM 678 HG21 VAL A 42 -12.377 7.876 -2.569 1.00 0.00 H +ATOM 679 HG22 VAL A 42 -11.212 6.656 -3.084 1.00 0.00 H +ATOM 680 HG23 VAL A 42 -12.457 7.214 -4.202 1.00 0.00 H +ATOM 681 N TRP A 43 -9.432 6.989 -1.484 1.00 0.00 N +ATOM 682 CA TRP A 43 -8.711 5.793 -1.069 1.00 0.00 C +ATOM 683 C TRP A 43 -9.293 4.548 -1.733 1.00 0.00 C +ATOM 684 O TRP A 43 -10.502 4.320 -1.693 1.00 0.00 O +ATOM 685 CB TRP A 43 -8.766 5.643 0.451 1.00 0.00 C +ATOM 686 CG TRP A 43 -7.664 6.370 1.161 1.00 0.00 C +ATOM 687 CD1 TRP A 43 -7.443 7.717 1.171 1.00 0.00 C +ATOM 688 CD2 TRP A 43 -6.632 5.786 1.964 1.00 0.00 C +ATOM 689 NE1 TRP A 43 -6.337 8.007 1.934 1.00 0.00 N +ATOM 690 CE2 TRP A 43 -5.821 6.838 2.431 1.00 0.00 C +ATOM 691 CE3 TRP A 43 -6.315 4.475 2.334 1.00 0.00 C +ATOM 692 CZ2 TRP A 43 -4.716 6.619 3.249 1.00 0.00 C +ATOM 693 CZ3 TRP A 43 -5.217 4.260 3.146 1.00 0.00 C +ATOM 694 CH2 TRP A 43 -4.429 5.326 3.595 1.00 0.00 C +ATOM 695 H TRP A 43 -10.266 7.227 -1.028 1.00 0.00 H +ATOM 696 HA TRP A 43 -7.682 5.902 -1.375 1.00 0.00 H +ATOM 697 HB2 TRP A 43 -9.708 6.035 0.811 1.00 0.00 H +ATOM 698 HB3 TRP A 43 -8.693 4.594 0.706 1.00 0.00 H +ATOM 699 HD1 TRP A 43 -8.056 8.439 0.650 1.00 0.00 H +ATOM 700 HE1 TRP A 43 -5.976 8.903 2.095 1.00 0.00 H +ATOM 701 HE3 TRP A 43 -6.911 3.640 1.996 1.00 0.00 H +ATOM 702 HZ2 TRP A 43 -4.100 7.430 3.605 1.00 0.00 H +ATOM 703 HZ3 TRP A 43 -4.956 3.254 3.441 1.00 0.00 H +ATOM 704 HH2 TRP A 43 -3.581 5.111 4.227 1.00 0.00 H +ATOM 705 N THR A 44 -8.424 3.747 -2.342 1.00 0.00 N +ATOM 706 CA THR A 44 -8.850 2.526 -3.012 1.00 0.00 C +ATOM 707 C THR A 44 -8.122 1.314 -2.440 1.00 0.00 C +ATOM 708 O THR A 44 -6.991 1.424 -1.968 1.00 0.00 O +ATOM 709 CB THR A 44 -8.592 2.627 -4.517 1.00 0.00 C +ATOM 710 OG1 THR A 44 -7.471 3.453 -4.778 1.00 0.00 O +ATOM 711 CG2 THR A 44 -9.766 3.187 -5.289 1.00 0.00 C +ATOM 712 H THR A 44 -7.474 3.983 -2.338 1.00 0.00 H +ATOM 713 HA THR A 44 -9.910 2.406 -2.845 1.00 0.00 H +ATOM 714 HB THR A 44 -8.383 1.639 -4.903 1.00 0.00 H +ATOM 715 HG1 THR A 44 -7.279 3.445 -5.718 1.00 0.00 H +ATOM 716 HG21 THR A 44 -10.536 2.436 -5.369 1.00 0.00 H +ATOM 717 HG22 THR A 44 -9.442 3.477 -6.278 1.00 0.00 H +ATOM 718 HG23 THR A 44 -10.158 4.051 -4.772 1.00 0.00 H +ATOM 719 N TYR A 45 -8.777 0.160 -2.484 1.00 0.00 N +ATOM 720 CA TYR A 45 -8.188 -1.070 -1.967 1.00 0.00 C +ATOM 721 C TYR A 45 -8.607 -2.271 -2.808 1.00 0.00 C +ATOM 722 O TYR A 45 -9.793 -2.488 -3.054 1.00 0.00 O +ATOM 723 CB TYR A 45 -8.601 -1.285 -0.510 1.00 0.00 C +ATOM 724 CG TYR A 45 -8.021 -2.539 0.105 1.00 0.00 C +ATOM 725 CD1 TYR A 45 -8.557 -3.788 -0.182 1.00 0.00 C +ATOM 726 CD2 TYR A 45 -6.938 -2.474 0.972 1.00 0.00 C +ATOM 727 CE1 TYR A 45 -8.030 -4.937 0.379 1.00 0.00 C +ATOM 728 CE2 TYR A 45 -6.405 -3.616 1.535 1.00 0.00 C +ATOM 729 CZ TYR A 45 -6.954 -4.844 1.236 1.00 0.00 C +ATOM 730 OH TYR A 45 -6.426 -5.986 1.795 1.00 0.00 O +ATOM 731 H TYR A 45 -9.676 0.133 -2.872 1.00 0.00 H +ATOM 732 HA TYR A 45 -7.114 -0.969 -2.016 1.00 0.00 H +ATOM 733 HB2 TYR A 45 -8.267 -0.442 0.079 1.00 0.00 H +ATOM 734 HB3 TYR A 45 -9.680 -1.355 -0.456 1.00 0.00 H +ATOM 735 HD1 TYR A 45 -9.400 -3.856 -0.854 1.00 0.00 H +ATOM 736 HD2 TYR A 45 -6.510 -1.510 1.204 1.00 0.00 H +ATOM 737 HE1 TYR A 45 -8.461 -5.898 0.144 1.00 0.00 H +ATOM 738 HE2 TYR A 45 -5.561 -3.543 2.206 1.00 0.00 H +ATOM 739 HH TYR A 45 -6.378 -6.676 1.130 1.00 0.00 H +ATOM 740 N LYS A 46 -7.623 -3.051 -3.244 1.00 0.00 N +ATOM 741 CA LYS A 46 -7.887 -4.233 -4.054 1.00 0.00 C +ATOM 742 C LYS A 46 -7.936 -5.484 -3.183 1.00 0.00 C +ATOM 743 O LYS A 46 -6.965 -5.820 -2.506 1.00 0.00 O +ATOM 744 CB LYS A 46 -6.814 -4.387 -5.134 1.00 0.00 C +ATOM 745 CG LYS A 46 -7.360 -4.867 -6.468 1.00 0.00 C +ATOM 746 CD LYS A 46 -8.309 -3.851 -7.081 1.00 0.00 C +ATOM 747 CE LYS A 46 -9.495 -4.527 -7.742 1.00 0.00 C +ATOM 748 NZ LYS A 46 -10.171 -3.635 -8.726 1.00 0.00 N +ATOM 749 H LYS A 46 -6.698 -2.827 -3.013 1.00 0.00 H +ATOM 750 HA LYS A 46 -8.847 -4.101 -4.530 1.00 0.00 H +ATOM 751 HB2 LYS A 46 -6.336 -3.429 -5.289 1.00 0.00 H +ATOM 752 HB3 LYS A 46 -6.074 -5.101 -4.792 1.00 0.00 H +ATOM 753 HG2 LYS A 46 -6.535 -5.029 -7.146 1.00 0.00 H +ATOM 754 HG3 LYS A 46 -7.890 -5.796 -6.315 1.00 0.00 H +ATOM 755 HD2 LYS A 46 -8.668 -3.194 -6.304 1.00 0.00 H +ATOM 756 HD3 LYS A 46 -7.775 -3.277 -7.824 1.00 0.00 H +ATOM 757 HE2 LYS A 46 -9.153 -5.415 -8.251 1.00 0.00 H +ATOM 758 HE3 LYS A 46 -10.204 -4.804 -6.976 1.00 0.00 H +ATOM 759 HZ1 LYS A 46 -11.053 -4.066 -9.054 1.00 0.00 H +ATOM 760 HZ2 LYS A 46 -9.550 -3.477 -9.546 1.00 0.00 H +ATOM 761 HZ3 LYS A 46 -10.387 -2.718 -8.288 1.00 0.00 H +ATOM 762 N ASP A 47 -9.077 -6.168 -3.204 1.00 0.00 N +ATOM 763 CA ASP A 47 -9.248 -7.380 -2.413 1.00 0.00 C +ATOM 764 C ASP A 47 -8.967 -8.628 -3.247 1.00 0.00 C +ATOM 765 O ASP A 47 -9.474 -9.707 -2.954 1.00 0.00 O +ATOM 766 CB ASP A 47 -10.673 -7.442 -1.852 1.00 0.00 C +ATOM 767 CG ASP A 47 -11.721 -7.417 -2.943 1.00 0.00 C +ATOM 768 OD1 ASP A 47 -11.651 -6.529 -3.819 1.00 0.00 O +ATOM 769 OD2 ASP A 47 -12.624 -8.288 -2.924 1.00 0.00 O +ATOM 770 H ASP A 47 -9.807 -5.847 -3.762 1.00 0.00 H +ATOM 771 HA ASP A 47 -8.556 -7.347 -1.593 1.00 0.00 H +ATOM 772 HB2 ASP A 47 -10.786 -8.354 -1.285 1.00 0.00 H +ATOM 773 HB3 ASP A 47 -10.833 -6.594 -1.202 1.00 0.00 H +ATOM 774 N GLU A 48 -8.154 -8.473 -4.285 1.00 0.00 N +ATOM 775 CA GLU A 48 -7.805 -9.589 -5.155 1.00 0.00 C +ATOM 776 C GLU A 48 -6.453 -10.176 -4.765 1.00 0.00 C +ATOM 777 O GLU A 48 -6.235 -11.383 -4.865 1.00 0.00 O +ATOM 778 CB GLU A 48 -7.780 -9.134 -6.615 1.00 0.00 C +ATOM 779 CG GLU A 48 -7.437 -10.245 -7.595 1.00 0.00 C +ATOM 780 CD GLU A 48 -7.440 -9.773 -9.035 1.00 0.00 C +ATOM 781 OE1 GLU A 48 -6.459 -9.121 -9.448 1.00 0.00 O +ATOM 782 OE2 GLU A 48 -8.423 -10.056 -9.750 1.00 0.00 O +ATOM 783 H GLU A 48 -7.776 -7.589 -4.468 1.00 0.00 H +ATOM 784 HA GLU A 48 -8.555 -10.349 -5.037 1.00 0.00 H +ATOM 785 HB2 GLU A 48 -8.748 -8.741 -6.875 1.00 0.00 H +ATOM 786 HB3 GLU A 48 -7.046 -8.350 -6.723 1.00 0.00 H +ATOM 787 HG2 GLU A 48 -6.455 -10.626 -7.358 1.00 0.00 H +ATOM 788 HG3 GLU A 48 -8.155 -11.036 -7.488 1.00 0.00 H +ATOM 789 N ILE A 49 -5.548 -9.311 -4.315 1.00 0.00 N +ATOM 790 CA ILE A 49 -4.217 -9.740 -3.903 1.00 0.00 C +ATOM 791 C ILE A 49 -3.710 -8.908 -2.728 1.00 0.00 C +ATOM 792 O ILE A 49 -2.504 -8.800 -2.507 1.00 0.00 O +ATOM 793 CB ILE A 49 -3.201 -9.645 -5.059 1.00 0.00 C +ATOM 794 CG1 ILE A 49 -3.357 -8.317 -5.809 1.00 0.00 C +ATOM 795 CG2 ILE A 49 -3.362 -10.825 -6.008 1.00 0.00 C +ATOM 796 CD1 ILE A 49 -4.569 -8.261 -6.716 1.00 0.00 C +ATOM 797 H ILE A 49 -5.784 -8.362 -4.255 1.00 0.00 H +ATOM 798 HA ILE A 49 -4.283 -10.774 -3.596 1.00 0.00 H +ATOM 799 HB ILE A 49 -2.209 -9.693 -4.637 1.00 0.00 H +ATOM 800 HG12 ILE A 49 -3.449 -7.515 -5.091 1.00 0.00 H +ATOM 801 HG13 ILE A 49 -2.480 -8.149 -6.416 1.00 0.00 H +ATOM 802 HG21 ILE A 49 -2.569 -10.808 -6.741 1.00 0.00 H +ATOM 803 HG22 ILE A 49 -4.316 -10.758 -6.508 1.00 0.00 H +ATOM 804 HG23 ILE A 49 -3.313 -11.747 -5.446 1.00 0.00 H +ATOM 805 HD11 ILE A 49 -5.124 -9.183 -6.630 1.00 0.00 H +ATOM 806 HD12 ILE A 49 -4.249 -8.127 -7.738 1.00 0.00 H +ATOM 807 HD13 ILE A 49 -5.200 -7.434 -6.424 1.00 0.00 H +ATOM 808 N LYS A 50 -4.639 -8.323 -1.974 1.00 0.00 N +ATOM 809 CA LYS A 50 -4.285 -7.502 -0.820 1.00 0.00 C +ATOM 810 C LYS A 50 -3.337 -6.374 -1.219 1.00 0.00 C +ATOM 811 O LYS A 50 -2.117 -6.509 -1.112 1.00 0.00 O +ATOM 812 CB LYS A 50 -3.639 -8.363 0.265 1.00 0.00 C +ATOM 813 CG LYS A 50 -4.363 -9.677 0.514 1.00 0.00 C +ATOM 814 CD LYS A 50 -5.588 -9.482 1.395 1.00 0.00 C +ATOM 815 CE LYS A 50 -6.868 -9.854 0.663 1.00 0.00 C +ATOM 816 NZ LYS A 50 -7.573 -8.654 0.132 1.00 0.00 N +ATOM 817 H LYS A 50 -5.585 -8.446 -2.199 1.00 0.00 H +ATOM 818 HA LYS A 50 -5.194 -7.070 -0.430 1.00 0.00 H +ATOM 819 HB2 LYS A 50 -2.623 -8.588 -0.027 1.00 0.00 H +ATOM 820 HB3 LYS A 50 -3.623 -7.806 1.190 1.00 0.00 H +ATOM 821 HG2 LYS A 50 -4.675 -10.089 -0.434 1.00 0.00 H +ATOM 822 HG3 LYS A 50 -3.685 -10.363 1.001 1.00 0.00 H +ATOM 823 HD2 LYS A 50 -5.493 -10.107 2.270 1.00 0.00 H +ATOM 824 HD3 LYS A 50 -5.644 -8.446 1.695 1.00 0.00 H +ATOM 825 HE2 LYS A 50 -6.621 -10.508 -0.159 1.00 0.00 H +ATOM 826 HE3 LYS A 50 -7.523 -10.371 1.350 1.00 0.00 H +ATOM 827 HZ1 LYS A 50 -7.856 -8.030 0.915 1.00 0.00 H +ATOM 828 HZ2 LYS A 50 -8.424 -8.943 -0.392 1.00 0.00 H +ATOM 829 HZ3 LYS A 50 -6.947 -8.126 -0.509 1.00 0.00 H +ATOM 830 N THR A 51 -3.902 -5.264 -1.683 1.00 0.00 N +ATOM 831 CA THR A 51 -3.098 -4.122 -2.098 1.00 0.00 C +ATOM 832 C THR A 51 -3.807 -2.803 -1.810 1.00 0.00 C +ATOM 833 O THR A 51 -4.870 -2.523 -2.365 1.00 0.00 O +ATOM 834 CB THR A 51 -2.771 -4.223 -3.588 1.00 0.00 C +ATOM 835 OG1 THR A 51 -3.952 -4.407 -4.349 1.00 0.00 O +ATOM 836 CG2 THR A 51 -1.830 -5.361 -3.917 1.00 0.00 C +ATOM 837 H THR A 51 -4.879 -5.213 -1.748 1.00 0.00 H +ATOM 838 HA THR A 51 -2.176 -4.149 -1.538 1.00 0.00 H +ATOM 839 HB THR A 51 -2.302 -3.302 -3.907 1.00 0.00 H +ATOM 840 HG1 THR A 51 -4.240 -3.563 -4.704 1.00 0.00 H +ATOM 841 HG21 THR A 51 -2.386 -6.284 -3.970 1.00 0.00 H +ATOM 842 HG22 THR A 51 -1.078 -5.439 -3.147 1.00 0.00 H +ATOM 843 HG23 THR A 51 -1.354 -5.172 -4.868 1.00 0.00 H +ATOM 844 N PHE A 52 -3.204 -1.991 -0.947 1.00 0.00 N +ATOM 845 CA PHE A 52 -3.765 -0.692 -0.593 1.00 0.00 C +ATOM 846 C PHE A 52 -3.272 0.372 -1.569 1.00 0.00 C +ATOM 847 O PHE A 52 -2.097 0.394 -1.928 1.00 0.00 O +ATOM 848 CB PHE A 52 -3.372 -0.317 0.839 1.00 0.00 C +ATOM 849 CG PHE A 52 -4.546 -0.029 1.731 1.00 0.00 C +ATOM 850 CD1 PHE A 52 -5.586 0.775 1.291 1.00 0.00 C +ATOM 851 CD2 PHE A 52 -4.609 -0.561 3.010 1.00 0.00 C +ATOM 852 CE1 PHE A 52 -6.668 1.042 2.108 1.00 0.00 C +ATOM 853 CE2 PHE A 52 -5.688 -0.297 3.832 1.00 0.00 C +ATOM 854 CZ PHE A 52 -6.719 0.505 3.380 1.00 0.00 C +ATOM 855 H PHE A 52 -2.354 -2.268 -0.545 1.00 0.00 H +ATOM 856 HA PHE A 52 -4.841 -0.762 -0.660 1.00 0.00 H +ATOM 857 HB2 PHE A 52 -2.820 -1.134 1.277 1.00 0.00 H +ATOM 858 HB3 PHE A 52 -2.746 0.563 0.817 1.00 0.00 H +ATOM 859 HD1 PHE A 52 -5.547 1.194 0.296 1.00 0.00 H +ATOM 860 HD2 PHE A 52 -3.804 -1.188 3.366 1.00 0.00 H +ATOM 861 HE1 PHE A 52 -7.472 1.669 1.753 1.00 0.00 H +ATOM 862 HE2 PHE A 52 -5.726 -0.718 4.825 1.00 0.00 H +ATOM 863 HZ PHE A 52 -7.563 0.712 4.021 1.00 0.00 H +ATOM 864 N THR A 53 -4.170 1.248 -2.007 1.00 0.00 N +ATOM 865 CA THR A 53 -3.799 2.295 -2.951 1.00 0.00 C +ATOM 866 C THR A 53 -4.537 3.597 -2.659 1.00 0.00 C +ATOM 867 O THR A 53 -5.737 3.596 -2.383 1.00 0.00 O +ATOM 868 CB THR A 53 -4.089 1.839 -4.381 1.00 0.00 C +ATOM 869 OG1 THR A 53 -5.398 1.307 -4.482 1.00 0.00 O +ATOM 870 CG2 THR A 53 -3.125 0.784 -4.876 1.00 0.00 C +ATOM 871 H THR A 53 -5.098 1.185 -1.697 1.00 0.00 H +ATOM 872 HA THR A 53 -2.738 2.469 -2.850 1.00 0.00 H +ATOM 873 HB THR A 53 -4.016 2.691 -5.042 1.00 0.00 H +ATOM 874 HG1 THR A 53 -6.021 1.904 -4.060 1.00 0.00 H +ATOM 875 HG21 THR A 53 -2.113 1.077 -4.632 1.00 0.00 H +ATOM 876 HG22 THR A 53 -3.220 0.682 -5.947 1.00 0.00 H +ATOM 877 HG23 THR A 53 -3.349 -0.160 -4.403 1.00 0.00 H +ATOM 878 N VAL A 54 -3.808 4.707 -2.730 1.00 0.00 N +ATOM 879 CA VAL A 54 -4.389 6.019 -2.481 1.00 0.00 C +ATOM 880 C VAL A 54 -4.246 6.920 -3.704 1.00 0.00 C +ATOM 881 O VAL A 54 -3.183 7.490 -3.949 1.00 0.00 O +ATOM 882 CB VAL A 54 -3.726 6.704 -1.271 1.00 0.00 C +ATOM 883 CG1 VAL A 54 -4.459 7.989 -0.911 1.00 0.00 C +ATOM 884 CG2 VAL A 54 -3.682 5.755 -0.082 1.00 0.00 C +ATOM 885 H VAL A 54 -2.858 4.640 -2.960 1.00 0.00 H +ATOM 886 HA VAL A 54 -5.438 5.887 -2.265 1.00 0.00 H +ATOM 887 HB VAL A 54 -2.711 6.959 -1.537 1.00 0.00 H +ATOM 888 HG11 VAL A 54 -3.741 8.781 -0.757 1.00 0.00 H +ATOM 889 HG12 VAL A 54 -5.027 7.838 -0.005 1.00 0.00 H +ATOM 890 HG13 VAL A 54 -5.128 8.261 -1.713 1.00 0.00 H +ATOM 891 HG21 VAL A 54 -2.977 4.962 -0.281 1.00 0.00 H +ATOM 892 HG22 VAL A 54 -4.663 5.333 0.077 1.00 0.00 H +ATOM 893 HG23 VAL A 54 -3.375 6.297 0.800 1.00 0.00 H +ATOM 894 N THR A 55 -5.327 7.040 -4.467 1.00 0.00 N +ATOM 895 CA THR A 55 -5.336 7.867 -5.669 1.00 0.00 C +ATOM 896 C THR A 55 -5.854 9.269 -5.360 1.00 0.00 C +ATOM 897 O THR A 55 -6.566 9.468 -4.378 1.00 0.00 O +ATOM 898 CB THR A 55 -6.203 7.218 -6.750 1.00 0.00 C +ATOM 899 OG1 THR A 55 -6.190 5.807 -6.622 1.00 0.00 O +ATOM 900 CG2 THR A 55 -5.764 7.553 -8.159 1.00 0.00 C +ATOM 901 H THR A 55 -6.139 6.557 -4.216 1.00 0.00 H +ATOM 902 HA THR A 55 -4.321 7.942 -6.030 1.00 0.00 H +ATOM 903 HB THR A 55 -7.223 7.559 -6.631 1.00 0.00 H +ATOM 904 HG1 THR A 55 -6.983 5.519 -6.165 1.00 0.00 H +ATOM 905 HG21 THR A 55 -4.938 6.917 -8.440 1.00 0.00 H +ATOM 906 HG22 THR A 55 -5.454 8.586 -8.204 1.00 0.00 H +ATOM 907 HG23 THR A 55 -6.588 7.396 -8.840 1.00 0.00 H +ATOM 908 N GLU A 56 -5.493 10.229 -6.207 1.00 0.00 N +ATOM 909 CA GLU A 56 -5.920 11.602 -6.024 1.00 0.00 C +ATOM 910 C GLU A 56 -7.389 11.772 -6.403 1.00 0.00 C +ATOM 911 O GLU A 56 -7.902 10.925 -7.164 1.00 0.00 O +ATOM 912 CB GLU A 56 -5.053 12.542 -6.866 1.00 0.00 C +ATOM 913 CG GLU A 56 -4.816 13.898 -6.218 1.00 0.00 C +ATOM 914 CD GLU A 56 -5.641 15.006 -6.854 1.00 0.00 C +ATOM 915 OE1 GLU A 56 -6.880 14.980 -6.702 1.00 0.00 O +ATOM 916 OE2 GLU A 56 -5.045 15.886 -7.501 1.00 0.00 O +ATOM 917 OXT GLU A 56 -8.012 12.745 -5.935 1.00 0.00 O +ATOM 918 H GLU A 56 -4.921 9.996 -6.969 1.00 0.00 H +ATOM 919 HA GLU A 56 -5.799 11.857 -4.982 1.00 0.00 H +ATOM 920 HB2 GLU A 56 -4.096 12.079 -7.035 1.00 0.00 H +ATOM 921 HB3 GLU A 56 -5.538 12.708 -7.819 1.00 0.00 H +ATOM 922 HG2 GLU A 56 -5.078 13.835 -5.173 1.00 0.00 H +ATOM 923 HG3 GLU A 56 -3.769 14.146 -6.311 1.00 0.00 H +TER 924 GLU A 56 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_FS_IscU_1WFZA_2KQKA/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_IscU_1WFZA_2KQKA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0110fd5ee35d27aa80967776cf599340e835f97d --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_IscU_1WFZA_2KQKA/state_a.pdb @@ -0,0 +1,1899 @@ +MODEL 1 +ATOM 1 N GLY A 1 21.903 8.106 0.585 1.00 0.00 N +ATOM 2 CA GLY A 1 22.645 8.107 -0.663 1.00 0.00 C +ATOM 3 C GLY A 1 22.649 6.749 -1.336 1.00 0.00 C +ATOM 4 O GLY A 1 21.914 5.847 -0.934 1.00 0.00 O +ATOM 5 H1 GLY A 1 22.384 8.105 1.439 1.00 0.00 H +ATOM 6 HA2 GLY A 1 22.200 8.828 -1.333 1.00 0.00 H +ATOM 7 HA3 GLY A 1 23.665 8.399 -0.461 1.00 0.00 H +ATOM 8 N SER A 2 23.478 6.603 -2.365 1.00 0.00 N +ATOM 9 CA SER A 2 23.571 5.346 -3.099 1.00 0.00 C +ATOM 10 C SER A 2 23.853 4.183 -2.152 1.00 0.00 C +ATOM 11 O SER A 2 23.203 3.141 -2.220 1.00 0.00 O +ATOM 12 CB SER A 2 24.668 5.432 -4.162 1.00 0.00 C +ATOM 13 OG SER A 2 24.308 6.332 -5.195 1.00 0.00 O +ATOM 14 H SER A 2 24.038 7.359 -2.638 1.00 0.00 H +ATOM 15 HA SER A 2 22.622 5.176 -3.586 1.00 0.00 H +ATOM 16 HB2 SER A 2 25.583 5.775 -3.704 1.00 0.00 H +ATOM 17 HB3 SER A 2 24.825 4.453 -4.592 1.00 0.00 H +ATOM 18 HG SER A 2 25.087 6.560 -5.707 1.00 0.00 H +ATOM 19 N SER A 3 24.830 4.371 -1.270 1.00 0.00 N +ATOM 20 CA SER A 3 25.202 3.337 -0.311 1.00 0.00 C +ATOM 21 C SER A 3 24.103 3.137 0.727 1.00 0.00 C +ATOM 22 O SER A 3 24.032 3.859 1.721 1.00 0.00 O +ATOM 23 CB SER A 3 26.514 3.706 0.384 1.00 0.00 C +ATOM 24 OG SER A 3 26.924 2.684 1.275 1.00 0.00 O +ATOM 25 H SER A 3 25.312 5.224 -1.265 1.00 0.00 H +ATOM 26 HA SER A 3 25.340 2.415 -0.855 1.00 0.00 H +ATOM 27 HB2 SER A 3 27.284 3.850 -0.359 1.00 0.00 H +ATOM 28 HB3 SER A 3 26.378 4.621 0.943 1.00 0.00 H +ATOM 29 HG SER A 3 27.670 2.992 1.796 1.00 0.00 H +ATOM 30 N GLY A 4 23.245 2.150 0.488 1.00 0.00 N +ATOM 31 CA GLY A 4 22.159 1.871 1.410 1.00 0.00 C +ATOM 32 C GLY A 4 22.633 1.171 2.668 1.00 0.00 C +ATOM 33 O GLY A 4 23.333 0.161 2.599 1.00 0.00 O +ATOM 34 H GLY A 4 23.350 1.606 -0.321 1.00 0.00 H +ATOM 35 HA2 GLY A 4 21.686 2.802 1.684 1.00 0.00 H +ATOM 36 HA3 GLY A 4 21.434 1.242 0.914 1.00 0.00 H +ATOM 37 N SER A 5 22.251 1.709 3.822 1.00 0.00 N +ATOM 38 CA SER A 5 22.646 1.133 5.102 1.00 0.00 C +ATOM 39 C SER A 5 21.688 0.020 5.515 1.00 0.00 C +ATOM 40 O SER A 5 20.536 -0.015 5.083 1.00 0.00 O +ATOM 41 CB SER A 5 22.684 2.216 6.183 1.00 0.00 C +ATOM 42 OG SER A 5 23.510 1.826 7.266 1.00 0.00 O +ATOM 43 H SER A 5 21.693 2.515 3.812 1.00 0.00 H +ATOM 44 HA SER A 5 23.635 0.717 4.987 1.00 0.00 H +ATOM 45 HB2 SER A 5 23.074 3.129 5.760 1.00 0.00 H +ATOM 46 HB3 SER A 5 21.683 2.388 6.551 1.00 0.00 H +ATOM 47 HG SER A 5 24.342 1.487 6.929 1.00 0.00 H +ATOM 48 N SER A 6 22.173 -0.888 6.356 1.00 0.00 N +ATOM 49 CA SER A 6 21.363 -2.006 6.826 1.00 0.00 C +ATOM 50 C SER A 6 21.012 -1.840 8.301 1.00 0.00 C +ATOM 51 O SER A 6 21.869 -1.970 9.173 1.00 0.00 O +ATOM 52 CB SER A 6 22.105 -3.326 6.611 1.00 0.00 C +ATOM 53 OG SER A 6 22.273 -3.599 5.231 1.00 0.00 O +ATOM 54 H SER A 6 23.100 -0.806 6.665 1.00 0.00 H +ATOM 55 HA SER A 6 20.450 -2.018 6.249 1.00 0.00 H +ATOM 56 HB2 SER A 6 23.077 -3.270 7.076 1.00 0.00 H +ATOM 57 HB3 SER A 6 21.538 -4.131 7.059 1.00 0.00 H +ATOM 58 HG SER A 6 21.724 -3.002 4.717 1.00 0.00 H +ATOM 59 N GLY A 7 19.743 -1.551 8.572 1.00 0.00 N +ATOM 60 CA GLY A 7 19.299 -1.371 9.942 1.00 0.00 C +ATOM 61 C GLY A 7 17.903 -0.785 10.028 1.00 0.00 C +ATOM 62 O GLY A 7 17.104 -0.934 9.104 1.00 0.00 O +ATOM 63 H GLY A 7 19.102 -1.458 7.836 1.00 0.00 H +ATOM 64 HA2 GLY A 7 19.307 -2.329 10.440 1.00 0.00 H +ATOM 65 HA3 GLY A 7 19.986 -0.708 10.447 1.00 0.00 H +ATOM 66 N GLU A 8 17.610 -0.120 11.140 1.00 0.00 N +ATOM 67 CA GLU A 8 16.300 0.488 11.343 1.00 0.00 C +ATOM 68 C GLU A 8 15.196 -0.397 10.771 1.00 0.00 C +ATOM 69 O GLU A 8 14.223 0.097 10.201 1.00 0.00 O +ATOM 70 CB GLU A 8 16.248 1.872 10.693 1.00 0.00 C +ATOM 71 CG GLU A 8 16.938 2.953 11.507 1.00 0.00 C +ATOM 72 CD GLU A 8 17.455 4.090 10.648 1.00 0.00 C +ATOM 73 OE1 GLU A 8 16.816 4.393 9.619 1.00 0.00 O +ATOM 74 OE2 GLU A 8 18.499 4.677 11.004 1.00 0.00 O +ATOM 75 H GLU A 8 18.290 -0.036 11.841 1.00 0.00 H +ATOM 76 HA GLU A 8 16.144 0.594 12.406 1.00 0.00 H +ATOM 77 HB2 GLU A 8 16.725 1.819 9.725 1.00 0.00 H +ATOM 78 HB3 GLU A 8 15.215 2.155 10.560 1.00 0.00 H +ATOM 79 HG2 GLU A 8 16.233 3.353 12.220 1.00 0.00 H +ATOM 80 HG3 GLU A 8 17.771 2.512 12.035 1.00 0.00 H +ATOM 81 N ASN A 9 15.355 -1.707 10.926 1.00 0.00 N +ATOM 82 CA ASN A 9 14.373 -2.661 10.424 1.00 0.00 C +ATOM 83 C ASN A 9 12.960 -2.094 10.529 1.00 0.00 C +ATOM 84 O ASN A 9 12.599 -1.437 11.505 1.00 0.00 O +ATOM 85 CB ASN A 9 14.465 -3.976 11.201 1.00 0.00 C +ATOM 86 CG ASN A 9 13.939 -5.156 10.406 1.00 0.00 C +ATOM 87 OD1 ASN A 9 12.786 -5.557 10.559 1.00 0.00 O +ATOM 88 ND2 ASN A 9 14.786 -5.717 9.551 1.00 0.00 N +ATOM 89 H ASN A 9 16.152 -2.041 11.389 1.00 0.00 H +ATOM 90 HA ASN A 9 14.596 -2.851 9.385 1.00 0.00 H +ATOM 91 HB2 ASN A 9 15.498 -4.168 11.451 1.00 0.00 H +ATOM 92 HB3 ASN A 9 13.888 -3.892 12.110 1.00 0.00 H +ATOM 93 HD21 ASN A 9 15.690 -5.344 9.482 1.00 0.00 H +ATOM 94 HD22 ASN A 9 14.473 -6.481 9.023 1.00 0.00 H +ATOM 95 N PRO A 10 12.141 -2.353 9.499 1.00 0.00 N +ATOM 96 CA PRO A 10 10.755 -1.879 9.451 1.00 0.00 C +ATOM 97 C PRO A 10 9.864 -2.588 10.466 1.00 0.00 C +ATOM 98 O PRO A 10 10.355 -3.234 11.392 1.00 0.00 O +ATOM 99 CB PRO A 10 10.313 -2.215 8.025 1.00 0.00 C +ATOM 100 CG PRO A 10 11.184 -3.353 7.617 1.00 0.00 C +ATOM 101 CD PRO A 10 12.504 -3.130 8.302 1.00 0.00 C +ATOM 102 HA PRO A 10 10.695 -0.811 9.606 1.00 0.00 H +ATOM 103 HB2 PRO A 10 9.269 -2.496 8.025 1.00 0.00 H +ATOM 104 HB3 PRO A 10 10.461 -1.357 7.387 1.00 0.00 H +ATOM 105 HG2 PRO A 10 10.746 -4.285 7.941 1.00 0.00 H +ATOM 106 HG3 PRO A 10 11.313 -3.351 6.545 1.00 0.00 H +ATOM 107 HD2 PRO A 10 12.951 -4.074 8.576 1.00 0.00 H +ATOM 108 HD3 PRO A 10 13.169 -2.566 7.664 1.00 0.00 H +ATOM 109 N ARG A 11 8.553 -2.464 10.285 1.00 0.00 N +ATOM 110 CA ARG A 11 7.595 -3.093 11.185 1.00 0.00 C +ATOM 111 C ARG A 11 6.342 -3.526 10.429 1.00 0.00 C +ATOM 112 O ARG A 11 5.822 -2.787 9.594 1.00 0.00 O +ATOM 113 CB ARG A 11 7.215 -2.131 12.313 1.00 0.00 C +ATOM 114 CG ARG A 11 6.548 -2.813 13.496 1.00 0.00 C +ATOM 115 CD ARG A 11 5.036 -2.853 13.336 1.00 0.00 C +ATOM 116 NE ARG A 11 4.403 -3.715 14.330 1.00 0.00 N +ATOM 117 CZ ARG A 11 4.142 -3.332 15.575 1.00 0.00 C +ATOM 118 NH1 ARG A 11 4.459 -2.109 15.976 1.00 0.00 N +ATOM 119 NH2 ARG A 11 3.564 -4.174 16.422 1.00 0.00 N +ATOM 120 H ARG A 11 8.223 -1.936 9.528 1.00 0.00 H +ATOM 121 HA ARG A 11 8.064 -3.967 11.612 1.00 0.00 H +ATOM 122 HB2 ARG A 11 8.109 -1.639 12.667 1.00 0.00 H +ATOM 123 HB3 ARG A 11 6.536 -1.388 11.923 1.00 0.00 H +ATOM 124 HG2 ARG A 11 6.917 -3.825 13.572 1.00 0.00 H +ATOM 125 HG3 ARG A 11 6.792 -2.270 14.397 1.00 0.00 H +ATOM 126 HD2 ARG A 11 4.649 -1.850 13.444 1.00 0.00 H +ATOM 127 HD3 ARG A 11 4.802 -3.224 12.349 1.00 0.00 H +ATOM 128 HE ARG A 11 4.161 -4.623 14.055 1.00 0.00 H +ATOM 129 HH11 ARG A 11 4.894 -1.472 15.340 1.00 0.00 H +ATOM 130 HH12 ARG A 11 4.260 -1.823 16.914 1.00 0.00 H +ATOM 131 HH21 ARG A 11 3.323 -5.097 16.123 1.00 0.00 H +ATOM 132 HH22 ARG A 11 3.368 -3.886 17.358 1.00 0.00 H +ATOM 133 N ASN A 12 5.864 -4.730 10.728 1.00 0.00 N +ATOM 134 CA ASN A 12 4.673 -5.263 10.076 1.00 0.00 C +ATOM 135 C ASN A 12 4.913 -5.458 8.582 1.00 0.00 C +ATOM 136 O ASN A 12 4.110 -5.030 7.752 1.00 0.00 O +ATOM 137 CB ASN A 12 3.484 -4.325 10.294 1.00 0.00 C +ATOM 138 CG ASN A 12 2.687 -4.682 11.534 1.00 0.00 C +ATOM 139 OD1 ASN A 12 3.019 -5.628 12.248 1.00 0.00 O +ATOM 140 ND2 ASN A 12 1.629 -3.923 11.795 1.00 0.00 N +ATOM 141 H ASN A 12 6.322 -5.273 11.403 1.00 0.00 H +ATOM 142 HA ASN A 12 4.452 -6.221 10.522 1.00 0.00 H +ATOM 143 HB2 ASN A 12 3.846 -3.313 10.402 1.00 0.00 H +ATOM 144 HB3 ASN A 12 2.828 -4.379 9.439 1.00 0.00 H +ATOM 145 HD21 ASN A 12 1.424 -3.187 11.182 1.00 0.00 H +ATOM 146 HD22 ASN A 12 1.096 -4.131 12.591 1.00 0.00 H +ATOM 147 N VAL A 13 6.022 -6.109 8.246 1.00 0.00 N +ATOM 148 CA VAL A 13 6.367 -6.364 6.853 1.00 0.00 C +ATOM 149 C VAL A 13 6.300 -7.853 6.533 1.00 0.00 C +ATOM 150 O VAL A 13 7.254 -8.593 6.771 1.00 0.00 O +ATOM 151 CB VAL A 13 7.777 -5.841 6.519 1.00 0.00 C +ATOM 152 CG1 VAL A 13 7.712 -4.402 6.030 1.00 0.00 C +ATOM 153 CG2 VAL A 13 8.690 -5.960 7.731 1.00 0.00 C +ATOM 154 H VAL A 13 6.623 -6.426 8.953 1.00 0.00 H +ATOM 155 HA VAL A 13 5.656 -5.839 6.231 1.00 0.00 H +ATOM 156 HB VAL A 13 8.186 -6.449 5.726 1.00 0.00 H +ATOM 157 HG11 VAL A 13 8.418 -3.802 6.585 1.00 0.00 H +ATOM 158 HG12 VAL A 13 7.956 -4.367 4.979 1.00 0.00 H +ATOM 159 HG13 VAL A 13 6.715 -4.016 6.182 1.00 0.00 H +ATOM 160 HG21 VAL A 13 9.720 -5.959 7.406 1.00 0.00 H +ATOM 161 HG22 VAL A 13 8.520 -5.124 8.393 1.00 0.00 H +ATOM 162 HG23 VAL A 13 8.477 -6.882 8.252 1.00 0.00 H +ATOM 163 N GLY A 14 5.166 -8.286 5.991 1.00 0.00 N +ATOM 164 CA GLY A 14 4.995 -9.685 5.647 1.00 0.00 C +ATOM 165 C GLY A 14 3.985 -9.890 4.535 1.00 0.00 C +ATOM 166 O GLY A 14 2.784 -9.983 4.788 1.00 0.00 O +ATOM 167 H GLY A 14 4.439 -7.650 5.824 1.00 0.00 H +ATOM 168 HA2 GLY A 14 5.947 -10.086 5.332 1.00 0.00 H +ATOM 169 HA3 GLY A 14 4.662 -10.221 6.523 1.00 0.00 H +ATOM 170 N SER A 15 4.472 -9.959 3.301 1.00 0.00 N +ATOM 171 CA SER A 15 3.602 -10.148 2.145 1.00 0.00 C +ATOM 172 C SER A 15 2.544 -11.209 2.430 1.00 0.00 C +ATOM 173 O SER A 15 2.776 -12.145 3.197 1.00 0.00 O +ATOM 174 CB SER A 15 4.426 -10.549 0.920 1.00 0.00 C +ATOM 175 OG SER A 15 3.634 -11.259 -0.016 1.00 0.00 O +ATOM 176 H SER A 15 5.439 -9.877 3.163 1.00 0.00 H +ATOM 177 HA SER A 15 3.109 -9.208 1.945 1.00 0.00 H +ATOM 178 HB2 SER A 15 4.815 -9.662 0.445 1.00 0.00 H +ATOM 179 HB3 SER A 15 5.246 -11.180 1.233 1.00 0.00 H +ATOM 180 HG SER A 15 2.735 -10.925 0.006 1.00 0.00 H +ATOM 181 N LEU A 16 1.380 -11.056 1.809 1.00 0.00 N +ATOM 182 CA LEU A 16 0.283 -12.000 1.994 1.00 0.00 C +ATOM 183 C LEU A 16 0.223 -12.998 0.842 1.00 0.00 C +ATOM 184 O LEU A 16 0.894 -12.827 -0.176 1.00 0.00 O +ATOM 185 CB LEU A 16 -1.047 -11.253 2.106 1.00 0.00 C +ATOM 186 CG LEU A 16 -1.213 -10.359 3.335 1.00 0.00 C +ATOM 187 CD1 LEU A 16 -2.119 -9.179 3.019 1.00 0.00 C +ATOM 188 CD2 LEU A 16 -1.765 -11.159 4.506 1.00 0.00 C +ATOM 189 H LEU A 16 1.254 -10.291 1.210 1.00 0.00 H +ATOM 190 HA LEU A 16 0.462 -12.539 2.913 1.00 0.00 H +ATOM 191 HB2 LEU A 16 -1.151 -10.632 1.229 1.00 0.00 H +ATOM 192 HB3 LEU A 16 -1.838 -11.988 2.121 1.00 0.00 H +ATOM 193 HG LEU A 16 -0.246 -9.969 3.622 1.00 0.00 H +ATOM 194 HD11 LEU A 16 -3.090 -9.342 3.460 1.00 0.00 H +ATOM 195 HD12 LEU A 16 -2.222 -9.081 1.948 1.00 0.00 H +ATOM 196 HD13 LEU A 16 -1.686 -8.275 3.422 1.00 0.00 H +ATOM 197 HD21 LEU A 16 -1.411 -10.731 5.432 1.00 0.00 H +ATOM 198 HD22 LEU A 16 -1.431 -12.183 4.431 1.00 0.00 H +ATOM 199 HD23 LEU A 16 -2.845 -11.129 4.484 1.00 0.00 H +ATOM 200 N ASP A 17 -0.585 -14.039 1.010 1.00 0.00 N +ATOM 201 CA ASP A 17 -0.735 -15.064 -0.017 1.00 0.00 C +ATOM 202 C ASP A 17 -1.119 -14.439 -1.355 1.00 0.00 C +ATOM 203 O ASP A 17 -2.278 -14.089 -1.580 1.00 0.00 O +ATOM 204 CB ASP A 17 -1.791 -16.087 0.404 1.00 0.00 C +ATOM 205 CG ASP A 17 -1.681 -17.385 -0.372 1.00 0.00 C +ATOM 206 OD1 ASP A 17 -0.546 -17.875 -0.550 1.00 0.00 O +ATOM 207 OD2 ASP A 17 -2.729 -17.910 -0.802 1.00 0.00 O +ATOM 208 H ASP A 17 -1.093 -14.120 1.844 1.00 0.00 H +ATOM 209 HA ASP A 17 0.215 -15.565 -0.128 1.00 0.00 H +ATOM 210 HB2 ASP A 17 -1.671 -16.306 1.455 1.00 0.00 H +ATOM 211 HB3 ASP A 17 -2.773 -15.670 0.237 1.00 0.00 H +ATOM 212 N LYS A 18 -0.138 -14.301 -2.241 1.00 0.00 N +ATOM 213 CA LYS A 18 -0.372 -13.719 -3.557 1.00 0.00 C +ATOM 214 C LYS A 18 -1.041 -14.727 -4.487 1.00 0.00 C +ATOM 215 O LYS A 18 -1.405 -14.399 -5.617 1.00 0.00 O +ATOM 216 CB LYS A 18 0.948 -13.244 -4.169 1.00 0.00 C +ATOM 217 CG LYS A 18 1.916 -14.373 -4.478 1.00 0.00 C +ATOM 218 CD LYS A 18 2.991 -13.933 -5.459 1.00 0.00 C +ATOM 219 CE LYS A 18 2.450 -13.850 -6.878 1.00 0.00 C +ATOM 220 NZ LYS A 18 3.292 -12.977 -7.742 1.00 0.00 N +ATOM 221 H LYS A 18 0.765 -14.599 -2.003 1.00 0.00 H +ATOM 222 HA LYS A 18 -1.027 -12.871 -3.433 1.00 0.00 H +ATOM 223 HB2 LYS A 18 0.736 -12.717 -5.088 1.00 0.00 H +ATOM 224 HB3 LYS A 18 1.428 -12.566 -3.478 1.00 0.00 H +ATOM 225 HG2 LYS A 18 2.390 -14.690 -3.561 1.00 0.00 H +ATOM 226 HG3 LYS A 18 1.367 -15.199 -4.907 1.00 0.00 H +ATOM 227 HD2 LYS A 18 3.355 -12.959 -5.167 1.00 0.00 H +ATOM 228 HD3 LYS A 18 3.803 -14.646 -5.433 1.00 0.00 H +ATOM 229 HE2 LYS A 18 2.426 -14.843 -7.299 1.00 0.00 H +ATOM 230 HE3 LYS A 18 1.447 -13.449 -6.844 1.00 0.00 H +ATOM 231 HZ1 LYS A 18 4.265 -12.946 -7.377 1.00 0.00 H +ATOM 232 HZ2 LYS A 18 2.908 -12.011 -7.756 1.00 0.00 H +ATOM 233 HZ3 LYS A 18 3.309 -13.346 -8.714 1.00 0.00 H +ATOM 234 N THR A 19 -1.203 -15.955 -4.003 1.00 0.00 N +ATOM 235 CA THR A 19 -1.828 -17.010 -4.790 1.00 0.00 C +ATOM 236 C THR A 19 -3.330 -17.069 -4.535 1.00 0.00 C +ATOM 237 O THR A 19 -4.027 -17.930 -5.071 1.00 0.00 O +ATOM 238 CB THR A 19 -1.211 -18.386 -4.477 1.00 0.00 C +ATOM 239 OG1 THR A 19 -1.252 -18.631 -3.067 1.00 0.00 O +ATOM 240 CG2 THR A 19 0.227 -18.458 -4.968 1.00 0.00 C +ATOM 241 H THR A 19 -0.892 -16.155 -3.096 1.00 0.00 H +ATOM 242 HA THR A 19 -1.659 -16.792 -5.835 1.00 0.00 H +ATOM 243 HB THR A 19 -1.788 -19.146 -4.984 1.00 0.00 H +ATOM 244 HG1 THR A 19 -0.358 -18.730 -2.733 1.00 0.00 H +ATOM 245 HG21 THR A 19 0.239 -18.770 -6.001 1.00 0.00 H +ATOM 246 HG22 THR A 19 0.775 -19.171 -4.370 1.00 0.00 H +ATOM 247 HG23 THR A 19 0.686 -17.485 -4.880 1.00 0.00 H +ATOM 248 N SER A 20 -3.823 -16.148 -3.713 1.00 0.00 N +ATOM 249 CA SER A 20 -5.242 -16.097 -3.384 1.00 0.00 C +ATOM 250 C SER A 20 -5.946 -15.002 -4.180 1.00 0.00 C +ATOM 251 O SER A 20 -5.315 -14.268 -4.941 1.00 0.00 O +ATOM 252 CB SER A 20 -5.432 -15.856 -1.885 1.00 0.00 C +ATOM 253 OG SER A 20 -6.629 -16.455 -1.419 1.00 0.00 O +ATOM 254 H SER A 20 -3.216 -15.488 -3.316 1.00 0.00 H +ATOM 255 HA SER A 20 -5.677 -17.051 -3.644 1.00 0.00 H +ATOM 256 HB2 SER A 20 -4.598 -16.280 -1.346 1.00 0.00 H +ATOM 257 HB3 SER A 20 -5.479 -14.793 -1.698 1.00 0.00 H +ATOM 258 HG SER A 20 -6.574 -17.407 -1.530 1.00 0.00 H +ATOM 259 N LYS A 21 -7.258 -14.898 -3.998 1.00 0.00 N +ATOM 260 CA LYS A 21 -8.050 -13.893 -4.697 1.00 0.00 C +ATOM 261 C LYS A 21 -8.588 -12.850 -3.723 1.00 0.00 C +ATOM 262 O LYS A 21 -8.642 -11.662 -4.038 1.00 0.00 O +ATOM 263 CB LYS A 21 -9.210 -14.556 -5.443 1.00 0.00 C +ATOM 264 CG LYS A 21 -10.170 -15.303 -4.533 1.00 0.00 C +ATOM 265 CD LYS A 21 -11.153 -16.143 -5.331 1.00 0.00 C +ATOM 266 CE LYS A 21 -12.407 -15.355 -5.678 1.00 0.00 C +ATOM 267 NZ LYS A 21 -13.101 -15.914 -6.871 1.00 0.00 N +ATOM 268 H LYS A 21 -7.705 -15.512 -3.378 1.00 0.00 H +ATOM 269 HA LYS A 21 -7.407 -13.402 -5.412 1.00 0.00 H +ATOM 270 HB2 LYS A 21 -9.766 -13.794 -5.970 1.00 0.00 H +ATOM 271 HB3 LYS A 21 -8.808 -15.257 -6.160 1.00 0.00 H +ATOM 272 HG2 LYS A 21 -9.603 -15.952 -3.883 1.00 0.00 H +ATOM 273 HG3 LYS A 21 -10.721 -14.587 -3.940 1.00 0.00 H +ATOM 274 HD2 LYS A 21 -10.680 -16.465 -6.246 1.00 0.00 H +ATOM 275 HD3 LYS A 21 -11.433 -17.008 -4.744 1.00 0.00 H +ATOM 276 HE2 LYS A 21 -13.080 -15.384 -4.834 1.00 0.00 H +ATOM 277 HE3 LYS A 21 -12.128 -14.332 -5.880 1.00 0.00 H +ATOM 278 HZ1 LYS A 21 -13.192 -15.183 -7.605 1.00 0.00 H +ATOM 279 HZ2 LYS A 21 -14.051 -16.246 -6.609 1.00 0.00 H +ATOM 280 HZ3 LYS A 21 -12.560 -16.713 -7.257 1.00 0.00 H +ATOM 281 N ASN A 22 -8.984 -13.303 -2.537 1.00 0.00 N +ATOM 282 CA ASN A 22 -9.517 -12.408 -1.516 1.00 0.00 C +ATOM 283 C ASN A 22 -8.496 -11.336 -1.147 1.00 0.00 C +ATOM 284 O ASN A 22 -8.844 -10.305 -0.569 1.00 0.00 O +ATOM 285 CB ASN A 22 -9.914 -13.202 -0.270 1.00 0.00 C +ATOM 286 CG ASN A 22 -8.788 -14.082 0.238 1.00 0.00 C +ATOM 287 OD1 ASN A 22 -8.724 -15.270 -0.076 1.00 0.00 O +ATOM 288 ND2 ASN A 22 -7.893 -13.500 1.028 1.00 0.00 N +ATOM 289 H ASN A 22 -8.916 -14.261 -2.345 1.00 0.00 H +ATOM 290 HA ASN A 22 -10.395 -11.928 -1.922 1.00 0.00 H +ATOM 291 HB2 ASN A 22 -10.188 -12.513 0.516 1.00 0.00 H +ATOM 292 HB3 ASN A 22 -10.760 -13.830 -0.504 1.00 0.00 H +ATOM 293 HD21 ASN A 22 -8.007 -12.549 1.236 1.00 0.00 H +ATOM 294 HD22 ASN A 22 -7.154 -14.046 1.370 1.00 0.00 H +ATOM 295 N VAL A 23 -7.235 -11.585 -1.484 1.00 0.00 N +ATOM 296 CA VAL A 23 -6.164 -10.641 -1.190 1.00 0.00 C +ATOM 297 C VAL A 23 -5.487 -10.161 -2.469 1.00 0.00 C +ATOM 298 O VAL A 23 -4.867 -10.943 -3.187 1.00 0.00 O +ATOM 299 CB VAL A 23 -5.103 -11.266 -0.265 1.00 0.00 C +ATOM 300 CG1 VAL A 23 -4.874 -12.726 -0.624 1.00 0.00 C +ATOM 301 CG2 VAL A 23 -3.802 -10.481 -0.338 1.00 0.00 C +ATOM 302 H VAL A 23 -7.020 -12.424 -1.943 1.00 0.00 H +ATOM 303 HA VAL A 23 -6.598 -9.791 -0.682 1.00 0.00 H +ATOM 304 HB VAL A 23 -5.469 -11.222 0.751 1.00 0.00 H +ATOM 305 HG11 VAL A 23 -4.859 -12.834 -1.699 1.00 0.00 H +ATOM 306 HG12 VAL A 23 -3.931 -13.055 -0.215 1.00 0.00 H +ATOM 307 HG13 VAL A 23 -5.674 -13.327 -0.215 1.00 0.00 H +ATOM 308 HG21 VAL A 23 -3.112 -10.990 -0.994 1.00 0.00 H +ATOM 309 HG22 VAL A 23 -4.001 -9.491 -0.724 1.00 0.00 H +ATOM 310 HG23 VAL A 23 -3.372 -10.402 0.649 1.00 0.00 H +ATOM 311 N GLY A 24 -5.612 -8.867 -2.748 1.00 0.00 N +ATOM 312 CA GLY A 24 -5.007 -8.303 -3.941 1.00 0.00 C +ATOM 313 C GLY A 24 -3.513 -8.094 -3.790 1.00 0.00 C +ATOM 314 O GLY A 24 -2.966 -8.234 -2.695 1.00 0.00 O +ATOM 315 H GLY A 24 -6.118 -8.290 -2.139 1.00 0.00 H +ATOM 316 HA2 GLY A 24 -5.184 -8.971 -4.771 1.00 0.00 H +ATOM 317 HA3 GLY A 24 -5.472 -7.352 -4.151 1.00 0.00 H +ATOM 318 N THR A 25 -2.849 -7.760 -4.892 1.00 0.00 N +ATOM 319 CA THR A 25 -1.409 -7.535 -4.879 1.00 0.00 C +ATOM 320 C THR A 25 -1.040 -6.291 -5.680 1.00 0.00 C +ATOM 321 O THR A 25 -1.384 -6.173 -6.855 1.00 0.00 O +ATOM 322 CB THR A 25 -0.646 -8.744 -5.450 1.00 0.00 C +ATOM 323 OG1 THR A 25 -1.169 -9.958 -4.899 1.00 0.00 O +ATOM 324 CG2 THR A 25 0.840 -8.641 -5.141 1.00 0.00 C +ATOM 325 H THR A 25 -3.341 -7.664 -5.734 1.00 0.00 H +ATOM 326 HA THR A 25 -1.103 -7.394 -3.852 1.00 0.00 H +ATOM 327 HB THR A 25 -0.775 -8.759 -6.522 1.00 0.00 H +ATOM 328 HG1 THR A 25 -1.366 -9.829 -3.968 1.00 0.00 H +ATOM 329 HG21 THR A 25 1.408 -9.042 -5.967 1.00 0.00 H +ATOM 330 HG22 THR A 25 1.062 -9.202 -4.245 1.00 0.00 H +ATOM 331 HG23 THR A 25 1.105 -7.605 -4.992 1.00 0.00 H +ATOM 332 N GLY A 26 -0.337 -5.365 -5.035 1.00 0.00 N +ATOM 333 CA GLY A 26 0.067 -4.142 -5.704 1.00 0.00 C +ATOM 334 C GLY A 26 1.544 -3.847 -5.530 1.00 0.00 C +ATOM 335 O GLY A 26 1.989 -3.490 -4.438 1.00 0.00 O +ATOM 336 H GLY A 26 -0.091 -5.513 -4.098 1.00 0.00 H +ATOM 337 HA2 GLY A 26 -0.149 -4.233 -6.758 1.00 0.00 H +ATOM 338 HA3 GLY A 26 -0.502 -3.318 -5.299 1.00 0.00 H +ATOM 339 N LEU A 27 2.307 -3.998 -6.607 1.00 0.00 N +ATOM 340 CA LEU A 27 3.744 -3.747 -6.568 1.00 0.00 C +ATOM 341 C LEU A 27 4.115 -2.568 -7.461 1.00 0.00 C +ATOM 342 O LEU A 27 3.960 -2.627 -8.681 1.00 0.00 O +ATOM 343 CB LEU A 27 4.511 -4.995 -7.006 1.00 0.00 C +ATOM 344 CG LEU A 27 6.024 -4.833 -7.160 1.00 0.00 C +ATOM 345 CD1 LEU A 27 6.635 -4.290 -5.878 1.00 0.00 C +ATOM 346 CD2 LEU A 27 6.667 -6.160 -7.539 1.00 0.00 C +ATOM 347 H LEU A 27 1.896 -4.285 -7.448 1.00 0.00 H +ATOM 348 HA LEU A 27 4.011 -3.509 -5.549 1.00 0.00 H +ATOM 349 HB2 LEU A 27 4.334 -5.767 -6.273 1.00 0.00 H +ATOM 350 HB3 LEU A 27 4.113 -5.310 -7.961 1.00 0.00 H +ATOM 351 HG LEU A 27 6.226 -4.125 -7.952 1.00 0.00 H +ATOM 352 HD11 LEU A 27 7.124 -3.349 -6.083 1.00 0.00 H +ATOM 353 HD12 LEU A 27 7.358 -4.996 -5.496 1.00 0.00 H +ATOM 354 HD13 LEU A 27 5.857 -4.139 -5.144 1.00 0.00 H +ATOM 355 HD21 LEU A 27 6.287 -6.482 -8.497 1.00 0.00 H +ATOM 356 HD22 LEU A 27 6.429 -6.902 -6.790 1.00 0.00 H +ATOM 357 HD23 LEU A 27 7.738 -6.037 -7.598 1.00 0.00 H +ATOM 358 N VAL A 28 4.607 -1.497 -6.846 1.00 0.00 N +ATOM 359 CA VAL A 28 5.003 -0.305 -7.585 1.00 0.00 C +ATOM 360 C VAL A 28 6.360 0.208 -7.115 1.00 0.00 C +ATOM 361 O VAL A 28 6.503 0.666 -5.982 1.00 0.00 O +ATOM 362 CB VAL A 28 3.962 0.820 -7.437 1.00 0.00 C +ATOM 363 CG1 VAL A 28 2.611 0.371 -7.974 1.00 0.00 C +ATOM 364 CG2 VAL A 28 3.849 1.253 -5.983 1.00 0.00 C +ATOM 365 H VAL A 28 4.706 -1.510 -5.871 1.00 0.00 H +ATOM 366 HA VAL A 28 5.072 -0.568 -8.631 1.00 0.00 H +ATOM 367 HB VAL A 28 4.292 1.668 -8.018 1.00 0.00 H +ATOM 368 HG11 VAL A 28 2.009 1.239 -8.203 1.00 0.00 H +ATOM 369 HG12 VAL A 28 2.756 -0.214 -8.870 1.00 0.00 H +ATOM 370 HG13 VAL A 28 2.109 -0.228 -7.229 1.00 0.00 H +ATOM 371 HG21 VAL A 28 2.808 1.301 -5.702 1.00 0.00 H +ATOM 372 HG22 VAL A 28 4.359 0.537 -5.353 1.00 0.00 H +ATOM 373 HG23 VAL A 28 4.301 2.225 -5.860 1.00 0.00 H +ATOM 374 N GLY A 29 7.354 0.127 -7.993 1.00 0.00 N +ATOM 375 CA GLY A 29 8.687 0.588 -7.649 1.00 0.00 C +ATOM 376 C GLY A 29 9.098 1.815 -8.438 1.00 0.00 C +ATOM 377 O GLY A 29 8.354 2.288 -9.296 1.00 0.00 O +ATOM 378 H GLY A 29 7.182 -0.247 -8.883 1.00 0.00 H +ATOM 379 HA2 GLY A 29 8.714 0.823 -6.596 1.00 0.00 H +ATOM 380 HA3 GLY A 29 9.392 -0.206 -7.849 1.00 0.00 H +ATOM 381 N ALA A 30 10.286 2.334 -8.145 1.00 0.00 N +ATOM 382 CA ALA A 30 10.795 3.514 -8.834 1.00 0.00 C +ATOM 383 C ALA A 30 11.896 3.142 -9.820 1.00 0.00 C +ATOM 384 O ALA A 30 12.835 2.416 -9.495 1.00 0.00 O +ATOM 385 CB ALA A 30 11.308 4.532 -7.826 1.00 0.00 C +ATOM 386 H ALA A 30 10.834 1.913 -7.451 1.00 0.00 H +ATOM 387 HA ALA A 30 9.975 3.963 -9.376 1.00 0.00 H +ATOM 388 HB1 ALA A 30 12.003 4.052 -7.152 1.00 0.00 H +ATOM 389 HB2 ALA A 30 11.808 5.334 -8.348 1.00 0.00 H +ATOM 390 HB3 ALA A 30 10.477 4.931 -7.263 1.00 0.00 H +ATOM 391 N PRO A 31 11.780 3.649 -11.057 1.00 0.00 N +ATOM 392 CA PRO A 31 12.757 3.383 -12.116 1.00 0.00 C +ATOM 393 C PRO A 31 14.096 4.066 -11.855 1.00 0.00 C +ATOM 394 O PRO A 31 15.155 3.470 -12.049 1.00 0.00 O +ATOM 395 CB PRO A 31 12.094 3.967 -13.366 1.00 0.00 C +ATOM 396 CG PRO A 31 11.172 5.018 -12.849 1.00 0.00 C +ATOM 397 CD PRO A 31 10.686 4.523 -11.515 1.00 0.00 C +ATOM 398 HA PRO A 31 12.916 2.323 -12.253 1.00 0.00 H +ATOM 399 HB2 PRO A 31 12.849 4.388 -14.015 1.00 0.00 H +ATOM 400 HB3 PRO A 31 11.554 3.191 -13.888 1.00 0.00 H +ATOM 401 HG2 PRO A 31 11.705 5.949 -12.733 1.00 0.00 H +ATOM 402 HG3 PRO A 31 10.340 5.142 -13.527 1.00 0.00 H +ATOM 403 HD2 PRO A 31 10.543 5.349 -10.835 1.00 0.00 H +ATOM 404 HD3 PRO A 31 9.770 3.963 -11.630 1.00 0.00 H +ATOM 405 N ALA A 32 14.040 5.318 -11.414 1.00 0.00 N +ATOM 406 CA ALA A 32 15.248 6.081 -11.125 1.00 0.00 C +ATOM 407 C ALA A 32 15.856 5.660 -9.791 1.00 0.00 C +ATOM 408 O ALA A 32 16.934 5.065 -9.749 1.00 0.00 O +ATOM 409 CB ALA A 32 14.943 7.571 -11.121 1.00 0.00 C +ATOM 410 H ALA A 32 13.165 5.739 -11.279 1.00 0.00 H +ATOM 411 HA ALA A 32 15.962 5.887 -11.912 1.00 0.00 H +ATOM 412 HB1 ALA A 32 13.925 7.729 -10.795 1.00 0.00 H +ATOM 413 HB2 ALA A 32 15.619 8.075 -10.446 1.00 0.00 H +ATOM 414 HB3 ALA A 32 15.068 7.967 -12.118 1.00 0.00 H +ATOM 415 N CYS A 33 15.160 5.972 -8.704 1.00 0.00 N +ATOM 416 CA CYS A 33 15.632 5.628 -7.368 1.00 0.00 C +ATOM 417 C CYS A 33 15.853 4.123 -7.241 1.00 0.00 C +ATOM 418 O CYS A 33 16.666 3.671 -6.436 1.00 0.00 O +ATOM 419 CB CYS A 33 14.628 6.098 -6.313 1.00 0.00 C +ATOM 420 SG CYS A 33 15.339 6.300 -4.648 1.00 0.00 S +ATOM 421 H CYS A 33 14.307 6.447 -8.801 1.00 0.00 H +ATOM 422 HA CYS A 33 16.572 6.132 -7.207 1.00 0.00 H +ATOM 423 HB2 CYS A 33 14.222 7.053 -6.614 1.00 0.00 H +ATOM 424 HB3 CYS A 33 13.827 5.377 -6.243 1.00 0.00 H +ATOM 425 N GLY A 34 15.123 3.353 -8.041 1.00 0.00 N +ATOM 426 CA GLY A 34 15.254 1.908 -8.003 1.00 0.00 C +ATOM 427 C GLY A 34 14.729 1.313 -6.712 1.00 0.00 C +ATOM 428 O GLY A 34 15.491 0.752 -5.924 1.00 0.00 O +ATOM 429 H GLY A 34 14.490 3.770 -8.663 1.00 0.00 H +ATOM 430 HA2 GLY A 34 14.705 1.486 -8.832 1.00 0.00 H +ATOM 431 HA3 GLY A 34 16.298 1.650 -8.107 1.00 0.00 H +ATOM 432 N ASP A 35 13.424 1.435 -6.493 1.00 0.00 N +ATOM 433 CA ASP A 35 12.798 0.905 -5.288 1.00 0.00 C +ATOM 434 C ASP A 35 11.752 -0.149 -5.638 1.00 0.00 C +ATOM 435 O ASP A 35 11.301 -0.236 -6.780 1.00 0.00 O +ATOM 436 CB ASP A 35 12.153 2.034 -4.484 1.00 0.00 C +ATOM 437 CG ASP A 35 13.107 3.185 -4.233 1.00 0.00 C +ATOM 438 OD1 ASP A 35 14.334 2.970 -4.327 1.00 0.00 O +ATOM 439 OD2 ASP A 35 12.627 4.301 -3.944 1.00 0.00 O +ATOM 440 H ASP A 35 12.869 1.893 -7.159 1.00 0.00 H +ATOM 441 HA ASP A 35 13.569 0.444 -4.689 1.00 0.00 H +ATOM 442 HB2 ASP A 35 11.298 2.412 -5.027 1.00 0.00 H +ATOM 443 HB3 ASP A 35 11.826 1.647 -3.530 1.00 0.00 H +ATOM 444 N VAL A 36 11.371 -0.949 -4.647 1.00 0.00 N +ATOM 445 CA VAL A 36 10.379 -1.998 -4.850 1.00 0.00 C +ATOM 446 C VAL A 36 9.356 -2.012 -3.719 1.00 0.00 C +ATOM 447 O VAL A 36 9.605 -2.569 -2.650 1.00 0.00 O +ATOM 448 CB VAL A 36 11.040 -3.386 -4.947 1.00 0.00 C +ATOM 449 CG1 VAL A 36 9.983 -4.478 -5.001 1.00 0.00 C +ATOM 450 CG2 VAL A 36 11.955 -3.456 -6.160 1.00 0.00 C +ATOM 451 H VAL A 36 11.767 -0.831 -3.758 1.00 0.00 H +ATOM 452 HA VAL A 36 9.869 -1.799 -5.781 1.00 0.00 H +ATOM 453 HB VAL A 36 11.639 -3.539 -4.061 1.00 0.00 H +ATOM 454 HG11 VAL A 36 10.140 -5.171 -4.188 1.00 0.00 H +ATOM 455 HG12 VAL A 36 9.002 -4.035 -4.915 1.00 0.00 H +ATOM 456 HG13 VAL A 36 10.059 -5.005 -5.941 1.00 0.00 H +ATOM 457 HG21 VAL A 36 12.055 -2.471 -6.592 1.00 0.00 H +ATOM 458 HG22 VAL A 36 12.927 -3.817 -5.858 1.00 0.00 H +ATOM 459 HG23 VAL A 36 11.532 -4.128 -6.892 1.00 0.00 H +ATOM 460 N MET A 37 8.204 -1.397 -3.963 1.00 0.00 N +ATOM 461 CA MET A 37 7.142 -1.341 -2.966 1.00 0.00 C +ATOM 462 C MET A 37 6.099 -2.425 -3.219 1.00 0.00 C +ATOM 463 O MET A 37 5.267 -2.303 -4.118 1.00 0.00 O +ATOM 464 CB MET A 37 6.475 0.036 -2.977 1.00 0.00 C +ATOM 465 CG MET A 37 5.762 0.377 -1.678 1.00 0.00 C +ATOM 466 SD MET A 37 4.788 1.890 -1.796 1.00 0.00 S +ATOM 467 CE MET A 37 3.555 1.598 -0.529 1.00 0.00 C +ATOM 468 H MET A 37 8.063 -0.971 -4.835 1.00 0.00 H +ATOM 469 HA MET A 37 7.588 -1.506 -1.997 1.00 0.00 H +ATOM 470 HB2 MET A 37 7.230 0.787 -3.155 1.00 0.00 H +ATOM 471 HB3 MET A 37 5.751 0.067 -3.777 1.00 0.00 H +ATOM 472 HG2 MET A 37 5.103 -0.439 -1.420 1.00 0.00 H +ATOM 473 HG3 MET A 37 6.501 0.500 -0.900 1.00 0.00 H +ATOM 474 HE1 MET A 37 3.576 0.558 -0.239 1.00 0.00 H +ATOM 475 HE2 MET A 37 3.770 2.217 0.330 1.00 0.00 H +ATOM 476 HE3 MET A 37 2.577 1.845 -0.916 1.00 0.00 H +ATOM 477 N LYS A 38 6.150 -3.487 -2.422 1.00 0.00 N +ATOM 478 CA LYS A 38 5.211 -4.593 -2.559 1.00 0.00 C +ATOM 479 C LYS A 38 4.110 -4.505 -1.506 1.00 0.00 C +ATOM 480 O LYS A 38 4.340 -4.782 -0.328 1.00 0.00 O +ATOM 481 CB LYS A 38 5.944 -5.930 -2.435 1.00 0.00 C +ATOM 482 CG LYS A 38 5.069 -7.134 -2.737 1.00 0.00 C +ATOM 483 CD LYS A 38 5.194 -7.565 -4.188 1.00 0.00 C +ATOM 484 CE LYS A 38 5.039 -9.071 -4.338 1.00 0.00 C +ATOM 485 NZ LYS A 38 6.144 -9.811 -3.669 1.00 0.00 N +ATOM 486 H LYS A 38 6.837 -3.527 -1.723 1.00 0.00 H +ATOM 487 HA LYS A 38 4.762 -4.528 -3.538 1.00 0.00 H +ATOM 488 HB2 LYS A 38 6.777 -5.936 -3.122 1.00 0.00 H +ATOM 489 HB3 LYS A 38 6.320 -6.029 -1.427 1.00 0.00 H +ATOM 490 HG2 LYS A 38 5.369 -7.955 -2.102 1.00 0.00 H +ATOM 491 HG3 LYS A 38 4.038 -6.879 -2.534 1.00 0.00 H +ATOM 492 HD2 LYS A 38 4.425 -7.076 -4.768 1.00 0.00 H +ATOM 493 HD3 LYS A 38 6.166 -7.273 -4.559 1.00 0.00 H +ATOM 494 HE2 LYS A 38 4.100 -9.369 -3.899 1.00 0.00 H +ATOM 495 HE3 LYS A 38 5.038 -9.316 -5.390 1.00 0.00 H +ATOM 496 HZ1 LYS A 38 6.164 -9.583 -2.655 1.00 0.00 H +ATOM 497 HZ2 LYS A 38 7.058 -9.547 -4.090 1.00 0.00 H +ATOM 498 HZ3 LYS A 38 6.007 -10.836 -3.780 1.00 0.00 H +ATOM 499 N LEU A 39 2.914 -4.120 -1.938 1.00 0.00 N +ATOM 500 CA LEU A 39 1.777 -3.998 -1.033 1.00 0.00 C +ATOM 501 C LEU A 39 0.797 -5.149 -1.231 1.00 0.00 C +ATOM 502 O LEU A 39 0.612 -5.633 -2.347 1.00 0.00 O +ATOM 503 CB LEU A 39 1.064 -2.662 -1.255 1.00 0.00 C +ATOM 504 CG LEU A 39 0.315 -2.093 -0.050 1.00 0.00 C +ATOM 505 CD1 LEU A 39 1.286 -1.449 0.927 1.00 0.00 C +ATOM 506 CD2 LEU A 39 -0.736 -1.089 -0.502 1.00 0.00 C +ATOM 507 H LEU A 39 2.792 -3.913 -2.888 1.00 0.00 H +ATOM 508 HA LEU A 39 2.153 -4.032 -0.021 1.00 0.00 H +ATOM 509 HB2 LEU A 39 1.806 -1.938 -1.555 1.00 0.00 H +ATOM 510 HB3 LEU A 39 0.352 -2.798 -2.056 1.00 0.00 H +ATOM 511 HG LEU A 39 -0.191 -2.898 0.465 1.00 0.00 H +ATOM 512 HD11 LEU A 39 1.214 -0.374 0.850 1.00 0.00 H +ATOM 513 HD12 LEU A 39 2.293 -1.760 0.692 1.00 0.00 H +ATOM 514 HD13 LEU A 39 1.040 -1.756 1.933 1.00 0.00 H +ATOM 515 HD21 LEU A 39 -1.265 -1.482 -1.357 1.00 0.00 H +ATOM 516 HD22 LEU A 39 -0.253 -0.161 -0.773 1.00 0.00 H +ATOM 517 HD23 LEU A 39 -1.433 -0.910 0.303 1.00 0.00 H +ATOM 518 N GLN A 40 0.170 -5.581 -0.141 1.00 0.00 N +ATOM 519 CA GLN A 40 -0.793 -6.674 -0.197 1.00 0.00 C +ATOM 520 C GLN A 40 -1.823 -6.550 0.921 1.00 0.00 C +ATOM 521 O GLN A 40 -1.472 -6.523 2.101 1.00 0.00 O +ATOM 522 CB GLN A 40 -0.073 -8.021 -0.096 1.00 0.00 C +ATOM 523 CG GLN A 40 0.404 -8.558 -1.436 1.00 0.00 C +ATOM 524 CD GLN A 40 0.697 -10.045 -1.398 1.00 0.00 C +ATOM 525 OE1 GLN A 40 1.847 -10.466 -1.525 1.00 0.00 O +ATOM 526 NE2 GLN A 40 -0.345 -10.849 -1.221 1.00 0.00 N +ATOM 527 H GLN A 40 0.360 -5.154 0.720 1.00 0.00 H +ATOM 528 HA GLN A 40 -1.302 -6.619 -1.147 1.00 0.00 H +ATOM 529 HB2 GLN A 40 0.785 -7.909 0.549 1.00 0.00 H +ATOM 530 HB3 GLN A 40 -0.748 -8.744 0.338 1.00 0.00 H +ATOM 531 HG2 GLN A 40 -0.362 -8.377 -2.175 1.00 0.00 H +ATOM 532 HG3 GLN A 40 1.305 -8.035 -1.718 1.00 0.00 H +ATOM 533 HE21 GLN A 40 -1.233 -10.443 -1.128 1.00 0.00 H +ATOM 534 HE22 GLN A 40 -0.185 -11.815 -1.193 1.00 0.00 H +ATOM 535 N ILE A 41 -3.094 -6.474 0.541 1.00 0.00 N +ATOM 536 CA ILE A 41 -4.175 -6.353 1.512 1.00 0.00 C +ATOM 537 C ILE A 41 -5.189 -7.480 1.348 1.00 0.00 C +ATOM 538 O ILE A 41 -5.524 -7.868 0.230 1.00 0.00 O +ATOM 539 CB ILE A 41 -4.900 -5.001 1.380 1.00 0.00 C +ATOM 540 CG1 ILE A 41 -5.592 -4.899 0.020 1.00 0.00 C +ATOM 541 CG2 ILE A 41 -3.920 -3.853 1.570 1.00 0.00 C +ATOM 542 CD1 ILE A 41 -7.013 -5.419 0.024 1.00 0.00 C +ATOM 543 H ILE A 41 -3.310 -6.501 -0.414 1.00 0.00 H +ATOM 544 HA ILE A 41 -3.742 -6.413 2.500 1.00 0.00 H +ATOM 545 HB ILE A 41 -5.644 -4.940 2.160 1.00 0.00 H +ATOM 546 HG12 ILE A 41 -5.619 -3.865 -0.287 1.00 0.00 H +ATOM 547 HG13 ILE A 41 -5.031 -5.471 -0.705 1.00 0.00 H +ATOM 548 HG21 ILE A 41 -3.043 -4.026 0.964 1.00 0.00 H +ATOM 549 HG22 ILE A 41 -4.388 -2.928 1.268 1.00 0.00 H +ATOM 550 HG23 ILE A 41 -3.634 -3.791 2.609 1.00 0.00 H +ATOM 551 HD11 ILE A 41 -7.701 -4.587 0.062 1.00 0.00 H +ATOM 552 HD12 ILE A 41 -7.189 -5.993 -0.873 1.00 0.00 H +ATOM 553 HD13 ILE A 41 -7.163 -6.049 0.889 1.00 0.00 H +ATOM 554 N GLN A 42 -5.675 -7.999 2.471 1.00 0.00 N +ATOM 555 CA GLN A 42 -6.652 -9.081 2.452 1.00 0.00 C +ATOM 556 C GLN A 42 -8.065 -8.541 2.652 1.00 0.00 C +ATOM 557 O GLN A 42 -8.377 -7.960 3.692 1.00 0.00 O +ATOM 558 CB GLN A 42 -6.328 -10.109 3.536 1.00 0.00 C +ATOM 559 CG GLN A 42 -6.911 -11.486 3.263 1.00 0.00 C +ATOM 560 CD GLN A 42 -6.927 -12.368 4.496 1.00 0.00 C +ATOM 561 OE1 GLN A 42 -7.891 -12.367 5.262 1.00 0.00 O +ATOM 562 NE2 GLN A 42 -5.856 -13.129 4.694 1.00 0.00 N +ATOM 563 H GLN A 42 -5.368 -7.647 3.332 1.00 0.00 H +ATOM 564 HA GLN A 42 -6.597 -9.560 1.486 1.00 0.00 H +ATOM 565 HB2 GLN A 42 -5.255 -10.205 3.616 1.00 0.00 H +ATOM 566 HB3 GLN A 42 -6.720 -9.757 4.479 1.00 0.00 H +ATOM 567 HG2 GLN A 42 -7.924 -11.370 2.910 1.00 0.00 H +ATOM 568 HG3 GLN A 42 -6.318 -11.969 2.500 1.00 0.00 H +ATOM 569 HE21 GLN A 42 -5.125 -13.077 4.042 1.00 0.00 H +ATOM 570 HE22 GLN A 42 -5.839 -13.708 5.483 1.00 0.00 H +ATOM 571 N VAL A 43 -8.916 -8.738 1.650 1.00 0.00 N +ATOM 572 CA VAL A 43 -10.296 -8.272 1.716 1.00 0.00 C +ATOM 573 C VAL A 43 -11.227 -9.379 2.196 1.00 0.00 C +ATOM 574 O VAL A 43 -11.132 -10.522 1.748 1.00 0.00 O +ATOM 575 CB VAL A 43 -10.783 -7.764 0.346 1.00 0.00 C +ATOM 576 CG1 VAL A 43 -12.247 -7.358 0.417 1.00 0.00 C +ATOM 577 CG2 VAL A 43 -9.922 -6.603 -0.128 1.00 0.00 C +ATOM 578 H VAL A 43 -8.608 -9.207 0.847 1.00 0.00 H +ATOM 579 HA VAL A 43 -10.338 -7.450 2.417 1.00 0.00 H +ATOM 580 HB VAL A 43 -10.690 -8.569 -0.367 1.00 0.00 H +ATOM 581 HG11 VAL A 43 -12.337 -6.430 0.963 1.00 0.00 H +ATOM 582 HG12 VAL A 43 -12.634 -7.228 -0.583 1.00 0.00 H +ATOM 583 HG13 VAL A 43 -12.810 -8.128 0.924 1.00 0.00 H +ATOM 584 HG21 VAL A 43 -9.507 -6.836 -1.098 1.00 0.00 H +ATOM 585 HG22 VAL A 43 -10.527 -5.711 -0.201 1.00 0.00 H +ATOM 586 HG23 VAL A 43 -9.120 -6.437 0.576 1.00 0.00 H +ATOM 587 N ASP A 44 -12.127 -9.033 3.109 1.00 0.00 N +ATOM 588 CA ASP A 44 -13.078 -9.997 3.650 1.00 0.00 C +ATOM 589 C ASP A 44 -14.315 -10.097 2.762 1.00 0.00 C +ATOM 590 O ASP A 44 -14.375 -9.488 1.695 1.00 0.00 O +ATOM 591 CB ASP A 44 -13.485 -9.603 5.071 1.00 0.00 C +ATOM 592 CG ASP A 44 -13.861 -10.803 5.919 1.00 0.00 C +ATOM 593 OD1 ASP A 44 -13.070 -11.768 5.965 1.00 0.00 O +ATOM 594 OD2 ASP A 44 -14.945 -10.775 6.537 1.00 0.00 O +ATOM 595 H ASP A 44 -12.154 -8.106 3.427 1.00 0.00 H +ATOM 596 HA ASP A 44 -12.593 -10.961 3.679 1.00 0.00 H +ATOM 597 HB2 ASP A 44 -12.660 -9.094 5.546 1.00 0.00 H +ATOM 598 HB3 ASP A 44 -14.335 -8.938 5.023 1.00 0.00 H +ATOM 599 N GLU A 45 -15.299 -10.870 3.211 1.00 0.00 N +ATOM 600 CA GLU A 45 -16.533 -11.051 2.456 1.00 0.00 C +ATOM 601 C GLU A 45 -17.289 -9.731 2.326 1.00 0.00 C +ATOM 602 O GLU A 45 -17.905 -9.454 1.296 1.00 0.00 O +ATOM 603 CB GLU A 45 -17.423 -12.096 3.132 1.00 0.00 C +ATOM 604 CG GLU A 45 -17.949 -11.661 4.489 1.00 0.00 C +ATOM 605 CD GLU A 45 -18.328 -12.835 5.371 1.00 0.00 C +ATOM 606 OE1 GLU A 45 -19.491 -13.284 5.295 1.00 0.00 O +ATOM 607 OE2 GLU A 45 -17.461 -13.304 6.138 1.00 0.00 O +ATOM 608 H GLU A 45 -15.192 -11.330 4.070 1.00 0.00 H +ATOM 609 HA GLU A 45 -16.270 -11.399 1.469 1.00 0.00 H +ATOM 610 HB2 GLU A 45 -18.266 -12.303 2.490 1.00 0.00 H +ATOM 611 HB3 GLU A 45 -16.853 -13.004 3.265 1.00 0.00 H +ATOM 612 HG2 GLU A 45 -17.185 -11.086 4.990 1.00 0.00 H +ATOM 613 HG3 GLU A 45 -18.824 -11.044 4.341 1.00 0.00 H +ATOM 614 N LYS A 46 -17.238 -8.921 3.378 1.00 0.00 N +ATOM 615 CA LYS A 46 -17.917 -7.630 3.383 1.00 0.00 C +ATOM 616 C LYS A 46 -17.208 -6.639 2.465 1.00 0.00 C +ATOM 617 O LYS A 46 -17.804 -5.663 2.011 1.00 0.00 O +ATOM 618 CB LYS A 46 -17.978 -7.069 4.806 1.00 0.00 C +ATOM 619 CG LYS A 46 -18.713 -7.969 5.783 1.00 0.00 C +ATOM 620 CD LYS A 46 -19.389 -7.166 6.882 1.00 0.00 C +ATOM 621 CE LYS A 46 -20.441 -7.989 7.609 1.00 0.00 C +ATOM 622 NZ LYS A 46 -20.623 -7.539 9.016 1.00 0.00 N +ATOM 623 H LYS A 46 -16.731 -9.198 4.170 1.00 0.00 H +ATOM 624 HA LYS A 46 -18.922 -7.782 3.021 1.00 0.00 H +ATOM 625 HB2 LYS A 46 -16.970 -6.927 5.167 1.00 0.00 H +ATOM 626 HB3 LYS A 46 -18.481 -6.113 4.781 1.00 0.00 H +ATOM 627 HG2 LYS A 46 -19.466 -8.529 5.247 1.00 0.00 H +ATOM 628 HG3 LYS A 46 -18.006 -8.652 6.232 1.00 0.00 H +ATOM 629 HD2 LYS A 46 -18.642 -6.847 7.594 1.00 0.00 H +ATOM 630 HD3 LYS A 46 -19.863 -6.299 6.442 1.00 0.00 H +ATOM 631 HE2 LYS A 46 -21.379 -7.894 7.085 1.00 0.00 H +ATOM 632 HE3 LYS A 46 -20.132 -9.024 7.608 1.00 0.00 H +ATOM 633 HZ1 LYS A 46 -19.722 -7.607 9.532 1.00 0.00 H +ATOM 634 HZ2 LYS A 46 -21.328 -8.135 9.494 1.00 0.00 H +ATOM 635 HZ3 LYS A 46 -20.948 -6.551 9.036 1.00 0.00 H +ATOM 636 N GLY A 47 -15.932 -6.899 2.193 1.00 0.00 N +ATOM 637 CA GLY A 47 -15.165 -6.021 1.329 1.00 0.00 C +ATOM 638 C GLY A 47 -14.319 -5.034 2.109 1.00 0.00 C +ATOM 639 O GLY A 47 -13.930 -3.989 1.587 1.00 0.00 O +ATOM 640 H GLY A 47 -15.509 -7.692 2.583 1.00 0.00 H +ATOM 641 HA2 GLY A 47 -14.518 -6.622 0.708 1.00 0.00 H +ATOM 642 HA3 GLY A 47 -15.847 -5.472 0.696 1.00 0.00 H +ATOM 643 N LYS A 48 -14.034 -5.364 3.364 1.00 0.00 N +ATOM 644 CA LYS A 48 -13.229 -4.500 4.219 1.00 0.00 C +ATOM 645 C LYS A 48 -11.834 -5.081 4.421 1.00 0.00 C +ATOM 646 O LYS A 48 -11.671 -6.293 4.567 1.00 0.00 O +ATOM 647 CB LYS A 48 -13.914 -4.307 5.574 1.00 0.00 C +ATOM 648 CG LYS A 48 -13.163 -3.375 6.509 1.00 0.00 C +ATOM 649 CD LYS A 48 -12.172 -4.134 7.375 1.00 0.00 C +ATOM 650 CE LYS A 48 -12.806 -4.587 8.681 1.00 0.00 C +ATOM 651 NZ LYS A 48 -13.769 -5.703 8.472 1.00 0.00 N +ATOM 652 H LYS A 48 -14.373 -6.211 3.724 1.00 0.00 H +ATOM 653 HA LYS A 48 -13.140 -3.541 3.731 1.00 0.00 H +ATOM 654 HB2 LYS A 48 -14.901 -3.900 5.411 1.00 0.00 H +ATOM 655 HB3 LYS A 48 -14.006 -5.269 6.057 1.00 0.00 H +ATOM 656 HG2 LYS A 48 -12.625 -2.646 5.920 1.00 0.00 H +ATOM 657 HG3 LYS A 48 -13.874 -2.871 7.148 1.00 0.00 H +ATOM 658 HD2 LYS A 48 -11.826 -5.003 6.835 1.00 0.00 H +ATOM 659 HD3 LYS A 48 -11.333 -3.489 7.597 1.00 0.00 H +ATOM 660 HE2 LYS A 48 -12.026 -4.916 9.350 1.00 0.00 H +ATOM 661 HE3 LYS A 48 -13.328 -3.750 9.122 1.00 0.00 H +ATOM 662 HZ1 LYS A 48 -13.415 -6.347 7.736 1.00 0.00 H +ATOM 663 HZ2 LYS A 48 -14.692 -5.328 8.174 1.00 0.00 H +ATOM 664 HZ3 LYS A 48 -13.893 -6.238 9.355 1.00 0.00 H +ATOM 665 N ILE A 49 -10.830 -4.210 4.430 1.00 0.00 N +ATOM 666 CA ILE A 49 -9.450 -4.638 4.617 1.00 0.00 C +ATOM 667 C ILE A 49 -9.196 -5.064 6.059 1.00 0.00 C +ATOM 668 O ILE A 49 -9.216 -4.240 6.974 1.00 0.00 O +ATOM 669 CB ILE A 49 -8.458 -3.520 4.242 1.00 0.00 C +ATOM 670 CG1 ILE A 49 -8.580 -3.177 2.756 1.00 0.00 C +ATOM 671 CG2 ILE A 49 -7.035 -3.939 4.580 1.00 0.00 C +ATOM 672 CD1 ILE A 49 -8.255 -1.734 2.440 1.00 0.00 C +ATOM 673 H ILE A 49 -11.023 -3.257 4.309 1.00 0.00 H +ATOM 674 HA ILE A 49 -9.272 -5.482 3.966 1.00 0.00 H +ATOM 675 HB ILE A 49 -8.699 -2.645 4.827 1.00 0.00 H +ATOM 676 HG12 ILE A 49 -7.904 -3.800 2.192 1.00 0.00 H +ATOM 677 HG13 ILE A 49 -9.593 -3.368 2.432 1.00 0.00 H +ATOM 678 HG21 ILE A 49 -7.008 -4.346 5.580 1.00 0.00 H +ATOM 679 HG22 ILE A 49 -6.706 -4.690 3.877 1.00 0.00 H +ATOM 680 HG23 ILE A 49 -6.384 -3.080 4.522 1.00 0.00 H +ATOM 681 HD11 ILE A 49 -8.231 -1.161 3.355 1.00 0.00 H +ATOM 682 HD12 ILE A 49 -7.293 -1.679 1.954 1.00 0.00 H +ATOM 683 HD13 ILE A 49 -9.013 -1.330 1.784 1.00 0.00 H +ATOM 684 N VAL A 50 -8.957 -6.357 6.255 1.00 0.00 N +ATOM 685 CA VAL A 50 -8.697 -6.893 7.585 1.00 0.00 C +ATOM 686 C VAL A 50 -7.201 -7.044 7.834 1.00 0.00 C +ATOM 687 O VAL A 50 -6.727 -6.874 8.958 1.00 0.00 O +ATOM 688 CB VAL A 50 -9.380 -8.259 7.783 1.00 0.00 C +ATOM 689 CG1 VAL A 50 -10.893 -8.104 7.797 1.00 0.00 C +ATOM 690 CG2 VAL A 50 -8.946 -9.233 6.698 1.00 0.00 C +ATOM 691 H VAL A 50 -8.955 -6.964 5.486 1.00 0.00 H +ATOM 692 HA VAL A 50 -9.105 -6.202 8.309 1.00 0.00 H +ATOM 693 HB VAL A 50 -9.072 -8.658 8.739 1.00 0.00 H +ATOM 694 HG11 VAL A 50 -11.241 -8.067 8.819 1.00 0.00 H +ATOM 695 HG12 VAL A 50 -11.166 -7.190 7.290 1.00 0.00 H +ATOM 696 HG13 VAL A 50 -11.346 -8.945 7.293 1.00 0.00 H +ATOM 697 HG21 VAL A 50 -8.352 -8.711 5.963 1.00 0.00 H +ATOM 698 HG22 VAL A 50 -8.357 -10.025 7.139 1.00 0.00 H +ATOM 699 HG23 VAL A 50 -9.819 -9.656 6.223 1.00 0.00 H +ATOM 700 N ASP A 51 -6.461 -7.364 6.778 1.00 0.00 N +ATOM 701 CA ASP A 51 -5.016 -7.536 6.881 1.00 0.00 C +ATOM 702 C ASP A 51 -4.292 -6.679 5.847 1.00 0.00 C +ATOM 703 O ASP A 51 -4.736 -6.558 4.706 1.00 0.00 O +ATOM 704 CB ASP A 51 -4.642 -9.007 6.694 1.00 0.00 C +ATOM 705 CG ASP A 51 -3.247 -9.319 7.199 1.00 0.00 C +ATOM 706 OD1 ASP A 51 -2.426 -8.383 7.286 1.00 0.00 O +ATOM 707 OD2 ASP A 51 -2.977 -10.499 7.506 1.00 0.00 O +ATOM 708 H ASP A 51 -6.896 -7.486 5.908 1.00 0.00 H +ATOM 709 HA ASP A 51 -4.714 -7.220 7.867 1.00 0.00 H +ATOM 710 HB2 ASP A 51 -5.347 -9.623 7.235 1.00 0.00 H +ATOM 711 HB3 ASP A 51 -4.689 -9.253 5.643 1.00 0.00 H +ATOM 712 N ALA A 52 -3.175 -6.086 6.256 1.00 0.00 N +ATOM 713 CA ALA A 52 -2.389 -5.241 5.365 1.00 0.00 C +ATOM 714 C ALA A 52 -0.895 -5.416 5.620 1.00 0.00 C +ATOM 715 O ALA A 52 -0.442 -5.375 6.764 1.00 0.00 O +ATOM 716 CB ALA A 52 -2.788 -3.783 5.533 1.00 0.00 C +ATOM 717 H ALA A 52 -2.872 -6.221 7.178 1.00 0.00 H +ATOM 718 HA ALA A 52 -2.607 -5.535 4.348 1.00 0.00 H +ATOM 719 HB1 ALA A 52 -3.440 -3.685 6.389 1.00 0.00 H +ATOM 720 HB2 ALA A 52 -1.903 -3.183 5.683 1.00 0.00 H +ATOM 721 HB3 ALA A 52 -3.305 -3.448 4.646 1.00 0.00 H +ATOM 722 N ARG A 53 -0.136 -5.611 4.547 1.00 0.00 N +ATOM 723 CA ARG A 53 1.307 -5.794 4.655 1.00 0.00 C +ATOM 724 C ARG A 53 2.037 -5.005 3.573 1.00 0.00 C +ATOM 725 O ARG A 53 1.628 -4.998 2.412 1.00 0.00 O +ATOM 726 CB ARG A 53 1.664 -7.277 4.549 1.00 0.00 C +ATOM 727 CG ARG A 53 0.939 -8.152 5.559 1.00 0.00 C +ATOM 728 CD ARG A 53 1.737 -8.298 6.845 1.00 0.00 C +ATOM 729 NE ARG A 53 1.246 -9.396 7.673 1.00 0.00 N +ATOM 730 CZ ARG A 53 1.713 -9.667 8.886 1.00 0.00 C +ATOM 731 NH1 ARG A 53 2.678 -8.924 9.410 1.00 0.00 N +ATOM 732 NH2 ARG A 53 1.215 -10.683 9.579 1.00 0.00 N +ATOM 733 H ARG A 53 -0.555 -5.634 3.662 1.00 0.00 H +ATOM 734 HA ARG A 53 1.616 -5.426 5.622 1.00 0.00 H +ATOM 735 HB2 ARG A 53 1.413 -7.626 3.558 1.00 0.00 H +ATOM 736 HB3 ARG A 53 2.726 -7.391 4.704 1.00 0.00 H +ATOM 737 HG2 ARG A 53 -0.016 -7.704 5.790 1.00 0.00 H +ATOM 738 HG3 ARG A 53 0.785 -9.130 5.128 1.00 0.00 H +ATOM 739 HD2 ARG A 53 2.770 -8.485 6.592 1.00 0.00 H +ATOM 740 HD3 ARG A 53 1.665 -7.377 7.404 1.00 0.00 H +ATOM 741 HE ARG A 53 0.533 -9.958 7.305 1.00 0.00 H +ATOM 742 HH11 ARG A 53 3.055 -8.157 8.891 1.00 0.00 H +ATOM 743 HH12 ARG A 53 3.027 -9.130 10.325 1.00 0.00 H +ATOM 744 HH21 ARG A 53 0.487 -11.246 9.187 1.00 0.00 H +ATOM 745 HH22 ARG A 53 1.567 -10.887 10.491 1.00 0.00 H +ATOM 746 N PHE A 54 3.121 -4.340 3.961 1.00 0.00 N +ATOM 747 CA PHE A 54 3.908 -3.547 3.024 1.00 0.00 C +ATOM 748 C PHE A 54 5.377 -3.957 3.064 1.00 0.00 C +ATOM 749 O PHE A 54 5.900 -4.337 4.113 1.00 0.00 O +ATOM 750 CB PHE A 54 3.774 -2.057 3.347 1.00 0.00 C +ATOM 751 CG PHE A 54 4.808 -1.558 4.315 1.00 0.00 C +ATOM 752 CD1 PHE A 54 4.699 -1.834 5.669 1.00 0.00 C +ATOM 753 CD2 PHE A 54 5.888 -0.813 3.872 1.00 0.00 C +ATOM 754 CE1 PHE A 54 5.649 -1.377 6.563 1.00 0.00 C +ATOM 755 CE2 PHE A 54 6.842 -0.353 4.762 1.00 0.00 C +ATOM 756 CZ PHE A 54 6.721 -0.634 6.108 1.00 0.00 C +ATOM 757 H PHE A 54 3.397 -4.384 4.901 1.00 0.00 H +ATOM 758 HA PHE A 54 3.523 -3.728 2.033 1.00 0.00 H +ATOM 759 HB2 PHE A 54 3.873 -1.488 2.435 1.00 0.00 H +ATOM 760 HB3 PHE A 54 2.800 -1.875 3.776 1.00 0.00 H +ATOM 761 HD1 PHE A 54 3.860 -2.415 6.025 1.00 0.00 H +ATOM 762 HD2 PHE A 54 5.984 -0.591 2.820 1.00 0.00 H +ATOM 763 HE1 PHE A 54 5.551 -1.599 7.615 1.00 0.00 H +ATOM 764 HE2 PHE A 54 7.679 0.227 4.404 1.00 0.00 H +ATOM 765 HZ PHE A 54 7.464 -0.277 6.805 1.00 0.00 H +ATOM 766 N LYS A 55 6.038 -3.879 1.914 1.00 0.00 N +ATOM 767 CA LYS A 55 7.447 -4.241 1.815 1.00 0.00 C +ATOM 768 C LYS A 55 8.180 -3.317 0.848 1.00 0.00 C +ATOM 769 O LYS A 55 8.033 -3.433 -0.369 1.00 0.00 O +ATOM 770 CB LYS A 55 7.590 -5.694 1.357 1.00 0.00 C +ATOM 771 CG LYS A 55 8.948 -6.299 1.669 1.00 0.00 C +ATOM 772 CD LYS A 55 9.245 -6.266 3.159 1.00 0.00 C +ATOM 773 CE LYS A 55 10.068 -7.470 3.590 1.00 0.00 C +ATOM 774 NZ LYS A 55 9.206 -8.611 4.007 1.00 0.00 N +ATOM 775 H LYS A 55 5.567 -3.569 1.112 1.00 0.00 H +ATOM 776 HA LYS A 55 7.886 -4.137 2.796 1.00 0.00 H +ATOM 777 HB2 LYS A 55 6.833 -6.290 1.845 1.00 0.00 H +ATOM 778 HB3 LYS A 55 7.437 -5.738 0.288 1.00 0.00 H +ATOM 779 HG2 LYS A 55 8.961 -7.325 1.333 1.00 0.00 H +ATOM 780 HG3 LYS A 55 9.711 -5.738 1.147 1.00 0.00 H +ATOM 781 HD2 LYS A 55 9.796 -5.367 3.388 1.00 0.00 H +ATOM 782 HD3 LYS A 55 8.310 -6.266 3.703 1.00 0.00 H +ATOM 783 HE2 LYS A 55 10.687 -7.782 2.763 1.00 0.00 H +ATOM 784 HE3 LYS A 55 10.695 -7.182 4.421 1.00 0.00 H +ATOM 785 HZ1 LYS A 55 9.640 -9.511 3.716 1.00 0.00 H +ATOM 786 HZ2 LYS A 55 8.269 -8.532 3.562 1.00 0.00 H +ATOM 787 HZ3 LYS A 55 9.089 -8.612 5.040 1.00 0.00 H +ATOM 788 N THR A 56 8.970 -2.399 1.397 1.00 0.00 N +ATOM 789 CA THR A 56 9.725 -1.456 0.583 1.00 0.00 C +ATOM 790 C THR A 56 11.198 -1.846 0.513 1.00 0.00 C +ATOM 791 O THR A 56 11.754 -2.383 1.471 1.00 0.00 O +ATOM 792 CB THR A 56 9.611 -0.022 1.133 1.00 0.00 C +ATOM 793 OG1 THR A 56 8.240 0.292 1.401 1.00 0.00 O +ATOM 794 CG2 THR A 56 10.184 0.984 0.146 1.00 0.00 C +ATOM 795 H THR A 56 9.045 -2.357 2.373 1.00 0.00 H +ATOM 796 HA THR A 56 9.311 -1.470 -0.415 1.00 0.00 H +ATOM 797 HB THR A 56 10.174 0.040 2.054 1.00 0.00 H +ATOM 798 HG1 THR A 56 7.707 0.083 0.630 1.00 0.00 H +ATOM 799 HG21 THR A 56 9.439 1.220 -0.600 1.00 0.00 H +ATOM 800 HG22 THR A 56 11.053 0.561 -0.335 1.00 0.00 H +ATOM 801 HG23 THR A 56 10.464 1.884 0.671 1.00 0.00 H +ATOM 802 N PHE A 57 11.824 -1.571 -0.626 1.00 0.00 N +ATOM 803 CA PHE A 57 13.233 -1.894 -0.821 1.00 0.00 C +ATOM 804 C PHE A 57 13.957 -0.758 -1.539 1.00 0.00 C +ATOM 805 O PHE A 57 13.762 -0.542 -2.734 1.00 0.00 O +ATOM 806 CB PHE A 57 13.375 -3.191 -1.620 1.00 0.00 C +ATOM 807 CG PHE A 57 12.800 -4.391 -0.924 1.00 0.00 C +ATOM 808 CD1 PHE A 57 13.348 -4.848 0.264 1.00 0.00 C +ATOM 809 CD2 PHE A 57 11.711 -5.062 -1.457 1.00 0.00 C +ATOM 810 CE1 PHE A 57 12.821 -5.951 0.908 1.00 0.00 C +ATOM 811 CE2 PHE A 57 11.179 -6.165 -0.817 1.00 0.00 C +ATOM 812 CZ PHE A 57 11.736 -6.611 0.366 1.00 0.00 C +ATOM 813 H PHE A 57 11.327 -1.142 -1.354 1.00 0.00 H +ATOM 814 HA PHE A 57 13.678 -2.030 0.152 1.00 0.00 H +ATOM 815 HB2 PHE A 57 12.866 -3.081 -2.566 1.00 0.00 H +ATOM 816 HB3 PHE A 57 14.423 -3.380 -1.801 1.00 0.00 H +ATOM 817 HD1 PHE A 57 14.198 -4.332 0.689 1.00 0.00 H +ATOM 818 HD2 PHE A 57 11.276 -4.715 -2.383 1.00 0.00 H +ATOM 819 HE1 PHE A 57 13.258 -6.297 1.833 1.00 0.00 H +ATOM 820 HE2 PHE A 57 10.331 -6.680 -1.243 1.00 0.00 H +ATOM 821 HZ PHE A 57 11.322 -7.473 0.867 1.00 0.00 H +ATOM 822 N GLY A 58 14.792 -0.036 -0.799 1.00 0.00 N +ATOM 823 CA GLY A 58 15.532 1.069 -1.381 1.00 0.00 C +ATOM 824 C GLY A 58 15.706 2.223 -0.414 1.00 0.00 C +ATOM 825 O GLY A 58 16.191 2.040 0.703 1.00 0.00 O +ATOM 826 H GLY A 58 14.907 -0.254 0.149 1.00 0.00 H +ATOM 827 HA2 GLY A 58 16.507 0.716 -1.683 1.00 0.00 H +ATOM 828 HA3 GLY A 58 15.002 1.422 -2.253 1.00 0.00 H +ATOM 829 N CYS A 59 15.312 3.417 -0.843 1.00 0.00 N +ATOM 830 CA CYS A 59 15.428 4.607 -0.009 1.00 0.00 C +ATOM 831 C CYS A 59 14.392 4.590 1.111 1.00 0.00 C +ATOM 832 O CYS A 59 13.317 4.008 0.968 1.00 0.00 O +ATOM 833 CB CYS A 59 15.257 5.869 -0.857 1.00 0.00 C +ATOM 834 SG CYS A 59 13.521 6.334 -1.157 1.00 0.00 S +ATOM 835 H CYS A 59 14.932 3.501 -1.744 1.00 0.00 H +ATOM 836 HA CYS A 59 16.414 4.610 0.430 1.00 0.00 H +ATOM 837 HB2 CYS A 59 15.736 6.698 -0.356 1.00 0.00 H +ATOM 838 HB3 CYS A 59 15.727 5.715 -1.817 1.00 0.00 H +ATOM 839 N GLY A 60 14.724 5.232 2.227 1.00 0.00 N +ATOM 840 CA GLY A 60 13.813 5.278 3.356 1.00 0.00 C +ATOM 841 C GLY A 60 12.484 5.917 3.002 1.00 0.00 C +ATOM 842 O GLY A 60 11.426 5.335 3.239 1.00 0.00 O +ATOM 843 H GLY A 60 15.595 5.678 2.285 1.00 0.00 H +ATOM 844 HA2 GLY A 60 13.635 4.271 3.703 1.00 0.00 H +ATOM 845 HA3 GLY A 60 14.272 5.847 4.151 1.00 0.00 H +ATOM 846 N SER A 61 12.539 7.118 2.435 1.00 0.00 N +ATOM 847 CA SER A 61 11.330 7.839 2.053 1.00 0.00 C +ATOM 848 C SER A 61 10.252 6.873 1.570 1.00 0.00 C +ATOM 849 O SER A 61 9.061 7.101 1.781 1.00 0.00 O +ATOM 850 CB SER A 61 11.644 8.859 0.958 1.00 0.00 C +ATOM 851 OG SER A 61 12.597 9.809 1.403 1.00 0.00 O +ATOM 852 H SER A 61 13.413 7.530 2.272 1.00 0.00 H +ATOM 853 HA SER A 61 10.966 8.360 2.925 1.00 0.00 H +ATOM 854 HB2 SER A 61 12.041 8.347 0.095 1.00 0.00 H +ATOM 855 HB3 SER A 61 10.738 9.378 0.683 1.00 0.00 H +ATOM 856 HG SER A 61 13.341 9.825 0.797 1.00 0.00 H +ATOM 857 N ALA A 62 10.679 5.795 0.922 1.00 0.00 N +ATOM 858 CA ALA A 62 9.751 4.793 0.411 1.00 0.00 C +ATOM 859 C ALA A 62 9.235 3.900 1.534 1.00 0.00 C +ATOM 860 O ALA A 62 8.031 3.670 1.652 1.00 0.00 O +ATOM 861 CB ALA A 62 10.421 3.955 -0.668 1.00 0.00 C +ATOM 862 H ALA A 62 11.641 5.669 0.786 1.00 0.00 H +ATOM 863 HA ALA A 62 8.915 5.311 -0.037 1.00 0.00 H +ATOM 864 HB1 ALA A 62 10.685 4.588 -1.502 1.00 0.00 H +ATOM 865 HB2 ALA A 62 11.314 3.498 -0.266 1.00 0.00 H +ATOM 866 HB3 ALA A 62 9.741 3.186 -1.000 1.00 0.00 H +ATOM 867 N ILE A 63 10.152 3.398 2.354 1.00 0.00 N +ATOM 868 CA ILE A 63 9.788 2.530 3.467 1.00 0.00 C +ATOM 869 C ILE A 63 8.790 3.215 4.394 1.00 0.00 C +ATOM 870 O ILE A 63 7.828 2.598 4.851 1.00 0.00 O +ATOM 871 CB ILE A 63 11.026 2.112 4.282 1.00 0.00 C +ATOM 872 CG1 ILE A 63 11.951 1.238 3.434 1.00 0.00 C +ATOM 873 CG2 ILE A 63 10.604 1.375 5.545 1.00 0.00 C +ATOM 874 CD1 ILE A 63 13.389 1.246 3.904 1.00 0.00 C +ATOM 875 H ILE A 63 11.095 3.618 2.208 1.00 0.00 H +ATOM 876 HA ILE A 63 9.332 1.640 3.059 1.00 0.00 H +ATOM 877 HB ILE A 63 11.555 3.005 4.576 1.00 0.00 H +ATOM 878 HG12 ILE A 63 11.600 0.219 3.462 1.00 0.00 H +ATOM 879 HG13 ILE A 63 11.933 1.593 2.413 1.00 0.00 H +ATOM 880 HG21 ILE A 63 11.482 1.044 6.079 1.00 0.00 H +ATOM 881 HG22 ILE A 63 10.030 2.040 6.174 1.00 0.00 H +ATOM 882 HG23 ILE A 63 10.000 0.521 5.279 1.00 0.00 H +ATOM 883 HD11 ILE A 63 13.614 2.200 4.358 1.00 0.00 H +ATOM 884 HD12 ILE A 63 13.537 0.458 4.626 1.00 0.00 H +ATOM 885 HD13 ILE A 63 14.044 1.087 3.059 1.00 0.00 H +ATOM 886 N ALA A 64 9.025 4.494 4.667 1.00 0.00 N +ATOM 887 CA ALA A 64 8.144 5.264 5.536 1.00 0.00 C +ATOM 888 C ALA A 64 6.769 5.448 4.902 1.00 0.00 C +ATOM 889 O ALA A 64 5.774 4.913 5.389 1.00 0.00 O +ATOM 890 CB ALA A 64 8.766 6.616 5.854 1.00 0.00 C +ATOM 891 H ALA A 64 9.808 4.931 4.273 1.00 0.00 H +ATOM 892 HA ALA A 64 8.032 4.720 6.463 1.00 0.00 H +ATOM 893 HB1 ALA A 64 9.682 6.730 5.293 1.00 0.00 H +ATOM 894 HB2 ALA A 64 8.077 7.402 5.583 1.00 0.00 H +ATOM 895 HB3 ALA A 64 8.981 6.674 6.910 1.00 0.00 H +ATOM 896 N SER A 65 6.722 6.209 3.813 1.00 0.00 N +ATOM 897 CA SER A 65 5.469 6.467 3.114 1.00 0.00 C +ATOM 898 C SER A 65 4.575 5.230 3.128 1.00 0.00 C +ATOM 899 O SER A 65 3.373 5.322 3.381 1.00 0.00 O +ATOM 900 CB SER A 65 5.743 6.895 1.672 1.00 0.00 C +ATOM 901 OG SER A 65 6.149 8.252 1.611 1.00 0.00 O +ATOM 902 H SER A 65 7.551 6.608 3.473 1.00 0.00 H +ATOM 903 HA SER A 65 4.961 7.269 3.629 1.00 0.00 H +ATOM 904 HB2 SER A 65 6.527 6.279 1.259 1.00 0.00 H +ATOM 905 HB3 SER A 65 4.843 6.774 1.086 1.00 0.00 H +ATOM 906 HG SER A 65 5.476 8.768 1.161 1.00 0.00 H +ATOM 907 N SER A 66 5.170 4.074 2.854 1.00 0.00 N +ATOM 908 CA SER A 66 4.428 2.819 2.831 1.00 0.00 C +ATOM 909 C SER A 66 3.923 2.461 4.225 1.00 0.00 C +ATOM 910 O SER A 66 2.718 2.437 4.474 1.00 0.00 O +ATOM 911 CB SER A 66 5.310 1.691 2.290 1.00 0.00 C +ATOM 912 OG SER A 66 5.889 2.048 1.047 1.00 0.00 O +ATOM 913 H SER A 66 6.131 4.066 2.661 1.00 0.00 H +ATOM 914 HA SER A 66 3.580 2.947 2.175 1.00 0.00 H +ATOM 915 HB2 SER A 66 6.100 1.486 2.996 1.00 0.00 H +ATOM 916 HB3 SER A 66 4.709 0.803 2.153 1.00 0.00 H +ATOM 917 HG SER A 66 6.679 2.571 1.200 1.00 0.00 H +ATOM 918 N SER A 67 4.854 2.182 5.132 1.00 0.00 N +ATOM 919 CA SER A 67 4.504 1.821 6.501 1.00 0.00 C +ATOM 920 C SER A 67 3.308 2.633 6.988 1.00 0.00 C +ATOM 921 O SER A 67 2.425 2.111 7.669 1.00 0.00 O +ATOM 922 CB SER A 67 5.699 2.043 7.430 1.00 0.00 C +ATOM 923 OG SER A 67 5.860 3.418 7.735 1.00 0.00 O +ATOM 924 H SER A 67 5.799 2.218 4.873 1.00 0.00 H +ATOM 925 HA SER A 67 4.241 0.774 6.510 1.00 0.00 H +ATOM 926 HB2 SER A 67 5.543 1.499 8.349 1.00 0.00 H +ATOM 927 HB3 SER A 67 6.598 1.685 6.948 1.00 0.00 H +ATOM 928 HG SER A 67 6.765 3.581 8.010 1.00 0.00 H +ATOM 929 N LEU A 68 3.288 3.914 6.635 1.00 0.00 N +ATOM 930 CA LEU A 68 2.201 4.800 7.036 1.00 0.00 C +ATOM 931 C LEU A 68 0.953 4.545 6.197 1.00 0.00 C +ATOM 932 O LEU A 68 -0.162 4.520 6.717 1.00 0.00 O +ATOM 933 CB LEU A 68 2.631 6.262 6.898 1.00 0.00 C +ATOM 934 CG LEU A 68 1.525 7.305 7.054 1.00 0.00 C +ATOM 935 CD1 LEU A 68 2.092 8.609 7.594 1.00 0.00 C +ATOM 936 CD2 LEU A 68 0.821 7.538 5.725 1.00 0.00 C +ATOM 937 H LEU A 68 4.020 4.272 6.092 1.00 0.00 H +ATOM 938 HA LEU A 68 1.972 4.597 8.071 1.00 0.00 H +ATOM 939 HB2 LEU A 68 3.379 6.458 7.652 1.00 0.00 H +ATOM 940 HB3 LEU A 68 3.069 6.386 5.918 1.00 0.00 H +ATOM 941 HG LEU A 68 0.793 6.941 7.762 1.00 0.00 H +ATOM 942 HD11 LEU A 68 1.853 8.698 8.643 1.00 0.00 H +ATOM 943 HD12 LEU A 68 1.661 9.439 7.055 1.00 0.00 H +ATOM 944 HD13 LEU A 68 3.165 8.614 7.467 1.00 0.00 H +ATOM 945 HD21 LEU A 68 1.545 7.511 4.925 1.00 0.00 H +ATOM 946 HD22 LEU A 68 0.336 8.504 5.739 1.00 0.00 H +ATOM 947 HD23 LEU A 68 0.082 6.766 5.569 1.00 0.00 H +ATOM 948 N ALA A 69 1.149 4.354 4.896 1.00 0.00 N +ATOM 949 CA ALA A 69 0.040 4.097 3.986 1.00 0.00 C +ATOM 950 C ALA A 69 -0.659 2.786 4.329 1.00 0.00 C +ATOM 951 O ALA A 69 -1.869 2.755 4.555 1.00 0.00 O +ATOM 952 CB ALA A 69 0.533 4.073 2.547 1.00 0.00 C +ATOM 953 H ALA A 69 2.062 4.386 4.541 1.00 0.00 H +ATOM 954 HA ALA A 69 -0.668 4.907 4.084 1.00 0.00 H +ATOM 955 HB1 ALA A 69 0.167 4.946 2.027 1.00 0.00 H +ATOM 956 HB2 ALA A 69 1.613 4.074 2.536 1.00 0.00 H +ATOM 957 HB3 ALA A 69 0.169 3.182 2.056 1.00 0.00 H +ATOM 958 N THR A 70 0.111 1.702 4.367 1.00 0.00 N +ATOM 959 CA THR A 70 -0.435 0.388 4.681 1.00 0.00 C +ATOM 960 C THR A 70 -1.182 0.406 6.010 1.00 0.00 C +ATOM 961 O THR A 70 -2.047 -0.433 6.257 1.00 0.00 O +ATOM 962 CB THR A 70 0.673 -0.681 4.742 1.00 0.00 C +ATOM 963 OG1 THR A 70 0.121 -1.974 4.471 1.00 0.00 O +ATOM 964 CG2 THR A 70 1.345 -0.686 6.106 1.00 0.00 C +ATOM 965 H THR A 70 1.068 1.790 4.178 1.00 0.00 H +ATOM 966 HA THR A 70 -1.125 0.117 3.895 1.00 0.00 H +ATOM 967 HB THR A 70 1.416 -0.450 3.991 1.00 0.00 H +ATOM 968 HG1 THR A 70 -0.288 -1.972 3.603 1.00 0.00 H +ATOM 969 HG21 THR A 70 1.156 0.254 6.604 1.00 0.00 H +ATOM 970 HG22 THR A 70 2.409 -0.820 5.982 1.00 0.00 H +ATOM 971 HG23 THR A 70 0.947 -1.494 6.700 1.00 0.00 H +ATOM 972 N GLU A 71 -0.841 1.367 6.862 1.00 0.00 N +ATOM 973 CA GLU A 71 -1.480 1.493 8.166 1.00 0.00 C +ATOM 974 C GLU A 71 -2.811 2.231 8.051 1.00 0.00 C +ATOM 975 O GLU A 71 -3.664 2.136 8.934 1.00 0.00 O +ATOM 976 CB GLU A 71 -0.559 2.229 9.142 1.00 0.00 C +ATOM 977 CG GLU A 71 -1.261 2.699 10.405 1.00 0.00 C +ATOM 978 CD GLU A 71 -0.335 2.742 11.605 1.00 0.00 C +ATOM 979 OE1 GLU A 71 0.509 1.831 11.735 1.00 0.00 O +ATOM 980 OE2 GLU A 71 -0.455 3.686 12.414 1.00 0.00 O +ATOM 981 H GLU A 71 -0.143 2.007 6.608 1.00 0.00 H +ATOM 982 HA GLU A 71 -1.666 0.498 8.542 1.00 0.00 H +ATOM 983 HB2 GLU A 71 0.246 1.568 9.426 1.00 0.00 H +ATOM 984 HB3 GLU A 71 -0.144 3.093 8.644 1.00 0.00 H +ATOM 985 HG2 GLU A 71 -1.653 3.691 10.236 1.00 0.00 H +ATOM 986 HG3 GLU A 71 -2.076 2.023 10.621 1.00 0.00 H +ATOM 987 N TRP A 72 -2.980 2.966 6.958 1.00 0.00 N +ATOM 988 CA TRP A 72 -4.206 3.721 6.727 1.00 0.00 C +ATOM 989 C TRP A 72 -5.277 2.840 6.094 1.00 0.00 C +ATOM 990 O TRP A 72 -6.473 3.068 6.280 1.00 0.00 O +ATOM 991 CB TRP A 72 -3.925 4.928 5.831 1.00 0.00 C +ATOM 992 CG TRP A 72 -3.293 6.075 6.560 1.00 0.00 C +ATOM 993 CD1 TRP A 72 -2.936 6.112 7.877 1.00 0.00 C +ATOM 994 CD2 TRP A 72 -2.945 7.351 6.012 1.00 0.00 C +ATOM 995 NE1 TRP A 72 -2.387 7.334 8.182 1.00 0.00 N +ATOM 996 CE2 TRP A 72 -2.380 8.112 7.055 1.00 0.00 C +ATOM 997 CE3 TRP A 72 -3.053 7.925 4.742 1.00 0.00 C +ATOM 998 CZ2 TRP A 72 -1.928 9.415 6.864 1.00 0.00 C +ATOM 999 CZ3 TRP A 72 -2.604 9.218 4.555 1.00 0.00 C +ATOM 1000 CH2 TRP A 72 -2.046 9.951 5.611 1.00 0.00 C +ATOM 1001 H TRP A 72 -2.264 3.002 6.290 1.00 0.00 H +ATOM 1002 HA TRP A 72 -4.565 4.071 7.685 1.00 0.00 H +ATOM 1003 HB2 TRP A 72 -3.259 4.631 5.035 1.00 0.00 H +ATOM 1004 HB3 TRP A 72 -4.856 5.275 5.405 1.00 0.00 H +ATOM 1005 HD1 TRP A 72 -3.073 5.293 8.567 1.00 0.00 H +ATOM 1006 HE1 TRP A 72 -2.052 7.604 9.063 1.00 0.00 H +ATOM 1007 HE3 TRP A 72 -3.480 7.375 3.916 1.00 0.00 H +ATOM 1008 HZ2 TRP A 72 -1.495 9.993 7.667 1.00 0.00 H +ATOM 1009 HZ3 TRP A 72 -2.680 9.678 3.581 1.00 0.00 H +ATOM 1010 HH2 TRP A 72 -1.709 10.958 5.419 1.00 0.00 H +ATOM 1011 N VAL A 73 -4.841 1.833 5.344 1.00 0.00 N +ATOM 1012 CA VAL A 73 -5.763 0.916 4.683 1.00 0.00 C +ATOM 1013 C VAL A 73 -6.400 -0.040 5.686 1.00 0.00 C +ATOM 1014 O VAL A 73 -7.506 -0.537 5.471 1.00 0.00 O +ATOM 1015 CB VAL A 73 -5.053 0.098 3.589 1.00 0.00 C +ATOM 1016 CG1 VAL A 73 -4.361 1.019 2.596 1.00 0.00 C +ATOM 1017 CG2 VAL A 73 -4.059 -0.872 4.210 1.00 0.00 C +ATOM 1018 H VAL A 73 -3.876 1.702 5.233 1.00 0.00 H +ATOM 1019 HA VAL A 73 -6.541 1.504 4.217 1.00 0.00 H +ATOM 1020 HB VAL A 73 -5.798 -0.475 3.056 1.00 0.00 H +ATOM 1021 HG11 VAL A 73 -4.965 1.106 1.705 1.00 0.00 H +ATOM 1022 HG12 VAL A 73 -4.232 1.995 3.041 1.00 0.00 H +ATOM 1023 HG13 VAL A 73 -3.396 0.610 2.338 1.00 0.00 H +ATOM 1024 HG21 VAL A 73 -4.357 -1.885 3.984 1.00 0.00 H +ATOM 1025 HG22 VAL A 73 -3.074 -0.688 3.806 1.00 0.00 H +ATOM 1026 HG23 VAL A 73 -4.041 -0.733 5.281 1.00 0.00 H +ATOM 1027 N LYS A 74 -5.695 -0.294 6.783 1.00 0.00 N +ATOM 1028 CA LYS A 74 -6.190 -1.189 7.821 1.00 0.00 C +ATOM 1029 C LYS A 74 -7.480 -0.652 8.433 1.00 0.00 C +ATOM 1030 O LYS A 74 -7.572 0.526 8.777 1.00 0.00 O +ATOM 1031 CB LYS A 74 -5.133 -1.372 8.913 1.00 0.00 C +ATOM 1032 CG LYS A 74 -3.874 -2.072 8.430 1.00 0.00 C +ATOM 1033 CD LYS A 74 -2.794 -2.076 9.498 1.00 0.00 C +ATOM 1034 CE LYS A 74 -1.453 -2.519 8.933 1.00 0.00 C +ATOM 1035 NZ LYS A 74 -0.314 -2.016 9.749 1.00 0.00 N +ATOM 1036 H LYS A 74 -4.819 0.133 6.897 1.00 0.00 H +ATOM 1037 HA LYS A 74 -6.393 -2.146 7.365 1.00 0.00 H +ATOM 1038 HB2 LYS A 74 -4.856 -0.401 9.295 1.00 0.00 H +ATOM 1039 HB3 LYS A 74 -5.559 -1.957 9.715 1.00 0.00 H +ATOM 1040 HG2 LYS A 74 -4.116 -3.092 8.174 1.00 0.00 H +ATOM 1041 HG3 LYS A 74 -3.501 -1.558 7.555 1.00 0.00 H +ATOM 1042 HD2 LYS A 74 -2.691 -1.078 9.898 1.00 0.00 H +ATOM 1043 HD3 LYS A 74 -3.084 -2.755 10.288 1.00 0.00 H +ATOM 1044 HE2 LYS A 74 -1.423 -3.597 8.915 1.00 0.00 H +ATOM 1045 HE3 LYS A 74 -1.359 -2.139 7.926 1.00 0.00 H +ATOM 1046 HZ1 LYS A 74 -0.459 -2.255 10.751 1.00 0.00 H +ATOM 1047 HZ2 LYS A 74 -0.238 -0.983 9.659 1.00 0.00 H +ATOM 1048 HZ3 LYS A 74 0.576 -2.447 9.426 1.00 0.00 H +ATOM 1049 N GLY A 75 -8.475 -1.524 8.567 1.00 0.00 N +ATOM 1050 CA GLY A 75 -9.745 -1.119 9.138 1.00 0.00 C +ATOM 1051 C GLY A 75 -10.663 -0.478 8.116 1.00 0.00 C +ATOM 1052 O GLY A 75 -11.886 -0.517 8.256 1.00 0.00 O +ATOM 1053 H GLY A 75 -8.344 -2.451 8.275 1.00 0.00 H +ATOM 1054 HA2 GLY A 75 -10.235 -1.987 9.552 1.00 0.00 H +ATOM 1055 HA3 GLY A 75 -9.560 -0.410 9.932 1.00 0.00 H +ATOM 1056 N LYS A 76 -10.074 0.114 7.083 1.00 0.00 N +ATOM 1057 CA LYS A 76 -10.845 0.767 6.032 1.00 0.00 C +ATOM 1058 C LYS A 76 -11.242 -0.231 4.949 1.00 0.00 C +ATOM 1059 O LYS A 76 -10.749 -1.359 4.918 1.00 0.00 O +ATOM 1060 CB LYS A 76 -10.039 1.912 5.415 1.00 0.00 C +ATOM 1061 CG LYS A 76 -9.758 3.049 6.382 1.00 0.00 C +ATOM 1062 CD LYS A 76 -9.103 4.227 5.682 1.00 0.00 C +ATOM 1063 CE LYS A 76 -8.747 5.332 6.665 1.00 0.00 C +ATOM 1064 NZ LYS A 76 -8.163 4.789 7.923 1.00 0.00 N +ATOM 1065 H LYS A 76 -9.095 0.112 7.026 1.00 0.00 H +ATOM 1066 HA LYS A 76 -11.741 1.169 6.479 1.00 0.00 H +ATOM 1067 HB2 LYS A 76 -9.094 1.523 5.065 1.00 0.00 H +ATOM 1068 HB3 LYS A 76 -10.588 2.310 4.573 1.00 0.00 H +ATOM 1069 HG2 LYS A 76 -10.690 3.376 6.818 1.00 0.00 H +ATOM 1070 HG3 LYS A 76 -9.100 2.692 7.161 1.00 0.00 H +ATOM 1071 HD2 LYS A 76 -8.199 3.889 5.196 1.00 0.00 H +ATOM 1072 HD3 LYS A 76 -9.786 4.621 4.942 1.00 0.00 H +ATOM 1073 HE2 LYS A 76 -8.030 5.992 6.201 1.00 0.00 H +ATOM 1074 HE3 LYS A 76 -9.643 5.885 6.904 1.00 0.00 H +ATOM 1075 HZ1 LYS A 76 -7.525 3.997 7.707 1.00 0.00 H +ATOM 1076 HZ2 LYS A 76 -8.920 4.448 8.549 1.00 0.00 H +ATOM 1077 HZ3 LYS A 76 -7.626 5.529 8.417 1.00 0.00 H +ATOM 1078 N THR A 77 -12.135 0.191 4.060 1.00 0.00 N +ATOM 1079 CA THR A 77 -12.598 -0.665 2.975 1.00 0.00 C +ATOM 1080 C THR A 77 -11.891 -0.327 1.667 1.00 0.00 C +ATOM 1081 O THR A 77 -11.326 0.757 1.518 1.00 0.00 O +ATOM 1082 CB THR A 77 -14.119 -0.540 2.770 1.00 0.00 C +ATOM 1083 OG1 THR A 77 -14.451 0.792 2.361 1.00 0.00 O +ATOM 1084 CG2 THR A 77 -14.868 -0.885 4.048 1.00 0.00 C +ATOM 1085 H THR A 77 -12.492 1.101 4.137 1.00 0.00 H +ATOM 1086 HA THR A 77 -12.374 -1.689 3.239 1.00 0.00 H +ATOM 1087 HB THR A 77 -14.421 -1.232 1.996 1.00 0.00 H +ATOM 1088 HG1 THR A 77 -15.301 0.787 1.915 1.00 0.00 H +ATOM 1089 HG21 THR A 77 -14.295 -0.553 4.902 1.00 0.00 H +ATOM 1090 HG22 THR A 77 -15.011 -1.954 4.105 1.00 0.00 H +ATOM 1091 HG23 THR A 77 -15.829 -0.393 4.046 1.00 0.00 H +ATOM 1092 N VAL A 78 -11.926 -1.260 0.722 1.00 0.00 N +ATOM 1093 CA VAL A 78 -11.290 -1.060 -0.575 1.00 0.00 C +ATOM 1094 C VAL A 78 -11.739 0.251 -1.210 1.00 0.00 C +ATOM 1095 O VAL A 78 -10.980 0.892 -1.936 1.00 0.00 O +ATOM 1096 CB VAL A 78 -11.603 -2.219 -1.539 1.00 0.00 C +ATOM 1097 CG1 VAL A 78 -10.994 -3.516 -1.031 1.00 0.00 C +ATOM 1098 CG2 VAL A 78 -13.106 -2.364 -1.727 1.00 0.00 C +ATOM 1099 H VAL A 78 -12.392 -2.104 0.900 1.00 0.00 H +ATOM 1100 HA VAL A 78 -10.221 -1.026 -0.421 1.00 0.00 H +ATOM 1101 HB VAL A 78 -11.162 -1.992 -2.499 1.00 0.00 H +ATOM 1102 HG11 VAL A 78 -10.360 -3.307 -0.181 1.00 0.00 H +ATOM 1103 HG12 VAL A 78 -11.782 -4.194 -0.736 1.00 0.00 H +ATOM 1104 HG13 VAL A 78 -10.405 -3.969 -1.815 1.00 0.00 H +ATOM 1105 HG21 VAL A 78 -13.312 -2.689 -2.735 1.00 0.00 H +ATOM 1106 HG22 VAL A 78 -13.488 -3.095 -1.028 1.00 0.00 H +ATOM 1107 HG23 VAL A 78 -13.585 -1.413 -1.549 1.00 0.00 H +ATOM 1108 N GLU A 79 -12.979 0.643 -0.932 1.00 0.00 N +ATOM 1109 CA GLU A 79 -13.529 1.879 -1.477 1.00 0.00 C +ATOM 1110 C GLU A 79 -12.855 3.097 -0.852 1.00 0.00 C +ATOM 1111 O GLU A 79 -12.555 4.073 -1.539 1.00 0.00 O +ATOM 1112 CB GLU A 79 -15.039 1.939 -1.240 1.00 0.00 C +ATOM 1113 CG GLU A 79 -15.791 0.739 -1.791 1.00 0.00 C +ATOM 1114 CD GLU A 79 -17.121 0.516 -1.099 1.00 0.00 C +ATOM 1115 OE1 GLU A 79 -17.923 1.471 -1.030 1.00 0.00 O +ATOM 1116 OE2 GLU A 79 -17.361 -0.615 -0.627 1.00 0.00 O +ATOM 1117 H GLU A 79 -13.536 0.089 -0.347 1.00 0.00 H +ATOM 1118 HA GLU A 79 -13.341 1.884 -2.540 1.00 0.00 H +ATOM 1119 HB2 GLU A 79 -15.222 1.996 -0.177 1.00 0.00 H +ATOM 1120 HB3 GLU A 79 -15.430 2.829 -1.711 1.00 0.00 H +ATOM 1121 HG2 GLU A 79 -15.972 0.896 -2.844 1.00 0.00 H +ATOM 1122 HG3 GLU A 79 -15.181 -0.143 -1.660 1.00 0.00 H +ATOM 1123 N GLU A 80 -12.622 3.031 0.455 1.00 0.00 N +ATOM 1124 CA GLU A 80 -11.986 4.129 1.172 1.00 0.00 C +ATOM 1125 C GLU A 80 -10.565 4.360 0.665 1.00 0.00 C +ATOM 1126 O GLU A 80 -10.173 5.491 0.379 1.00 0.00 O +ATOM 1127 CB GLU A 80 -11.961 3.840 2.675 1.00 0.00 C +ATOM 1128 CG GLU A 80 -13.338 3.596 3.270 1.00 0.00 C +ATOM 1129 CD GLU A 80 -14.120 4.878 3.478 1.00 0.00 C +ATOM 1130 OE1 GLU A 80 -13.913 5.537 4.518 1.00 0.00 O +ATOM 1131 OE2 GLU A 80 -14.938 5.222 2.599 1.00 0.00 O +ATOM 1132 H GLU A 80 -12.884 2.226 0.948 1.00 0.00 H +ATOM 1133 HA GLU A 80 -12.567 5.022 0.997 1.00 0.00 H +ATOM 1134 HB2 GLU A 80 -11.354 2.964 2.851 1.00 0.00 H +ATOM 1135 HB3 GLU A 80 -11.517 4.683 3.184 1.00 0.00 H +ATOM 1136 HG2 GLU A 80 -13.896 2.956 2.603 1.00 0.00 H +ATOM 1137 HG3 GLU A 80 -13.221 3.103 4.224 1.00 0.00 H +ATOM 1138 N ALA A 81 -9.799 3.280 0.556 1.00 0.00 N +ATOM 1139 CA ALA A 81 -8.423 3.364 0.082 1.00 0.00 C +ATOM 1140 C ALA A 81 -8.345 4.106 -1.247 1.00 0.00 C +ATOM 1141 O ALA A 81 -7.483 4.965 -1.441 1.00 0.00 O +ATOM 1142 CB ALA A 81 -7.826 1.971 -0.053 1.00 0.00 C +ATOM 1143 H ALA A 81 -10.168 2.406 0.799 1.00 0.00 H +ATOM 1144 HA ALA A 81 -7.848 3.905 0.820 1.00 0.00 H +ATOM 1145 HB1 ALA A 81 -8.622 1.242 -0.105 1.00 0.00 H +ATOM 1146 HB2 ALA A 81 -7.232 1.920 -0.953 1.00 0.00 H +ATOM 1147 HB3 ALA A 81 -7.202 1.762 0.803 1.00 0.00 H +ATOM 1148 N LEU A 82 -9.248 3.770 -2.162 1.00 0.00 N +ATOM 1149 CA LEU A 82 -9.281 4.405 -3.475 1.00 0.00 C +ATOM 1150 C LEU A 82 -9.273 5.925 -3.345 1.00 0.00 C +ATOM 1151 O LEU A 82 -8.747 6.630 -4.206 1.00 0.00 O +ATOM 1152 CB LEU A 82 -10.520 3.954 -4.250 1.00 0.00 C +ATOM 1153 CG LEU A 82 -10.326 2.767 -5.194 1.00 0.00 C +ATOM 1154 CD1 LEU A 82 -9.183 3.035 -6.161 1.00 0.00 C +ATOM 1155 CD2 LEU A 82 -10.069 1.493 -4.403 1.00 0.00 C +ATOM 1156 H LEU A 82 -9.909 3.079 -1.950 1.00 0.00 H +ATOM 1157 HA LEU A 82 -8.397 4.097 -4.013 1.00 0.00 H +ATOM 1158 HB2 LEU A 82 -11.279 3.684 -3.532 1.00 0.00 H +ATOM 1159 HB3 LEU A 82 -10.864 4.793 -4.838 1.00 0.00 H +ATOM 1160 HG LEU A 82 -11.227 2.625 -5.775 1.00 0.00 H +ATOM 1161 HD11 LEU A 82 -8.772 4.015 -5.970 1.00 0.00 H +ATOM 1162 HD12 LEU A 82 -9.552 2.991 -7.175 1.00 0.00 H +ATOM 1163 HD13 LEU A 82 -8.414 2.289 -6.025 1.00 0.00 H +ATOM 1164 HD21 LEU A 82 -9.504 1.729 -3.514 1.00 0.00 H +ATOM 1165 HD22 LEU A 82 -9.508 0.798 -5.011 1.00 0.00 H +ATOM 1166 HD23 LEU A 82 -11.012 1.047 -4.122 1.00 0.00 H +ATOM 1167 N THR A 83 -9.859 6.424 -2.261 1.00 0.00 N +ATOM 1168 CA THR A 83 -9.919 7.860 -2.017 1.00 0.00 C +ATOM 1169 C THR A 83 -8.573 8.393 -1.539 1.00 0.00 C +ATOM 1170 O THR A 83 -8.186 9.513 -1.872 1.00 0.00 O +ATOM 1171 CB THR A 83 -10.996 8.208 -0.972 1.00 0.00 C +ATOM 1172 OG1 THR A 83 -10.482 8.002 0.348 1.00 0.00 O +ATOM 1173 CG2 THR A 83 -12.241 7.358 -1.175 1.00 0.00 C +ATOM 1174 H THR A 83 -10.260 5.811 -1.610 1.00 0.00 H +ATOM 1175 HA THR A 83 -10.178 8.345 -2.947 1.00 0.00 H +ATOM 1176 HB THR A 83 -11.265 9.248 -1.088 1.00 0.00 H +ATOM 1177 HG1 THR A 83 -11.207 8.007 0.978 1.00 0.00 H +ATOM 1178 HG21 THR A 83 -12.213 6.512 -0.504 1.00 0.00 H +ATOM 1179 HG22 THR A 83 -12.275 7.007 -2.196 1.00 0.00 H +ATOM 1180 HG23 THR A 83 -13.119 7.951 -0.969 1.00 0.00 H +ATOM 1181 N ILE A 84 -7.864 7.584 -0.759 1.00 0.00 N +ATOM 1182 CA ILE A 84 -6.561 7.975 -0.238 1.00 0.00 C +ATOM 1183 C ILE A 84 -5.678 8.550 -1.340 1.00 0.00 C +ATOM 1184 O ILE A 84 -5.482 7.926 -2.383 1.00 0.00 O +ATOM 1185 CB ILE A 84 -5.835 6.784 0.416 1.00 0.00 C +ATOM 1186 CG1 ILE A 84 -6.579 6.335 1.676 1.00 0.00 C +ATOM 1187 CG2 ILE A 84 -4.398 7.156 0.746 1.00 0.00 C +ATOM 1188 CD1 ILE A 84 -5.997 5.091 2.310 1.00 0.00 C +ATOM 1189 H ILE A 84 -8.227 6.703 -0.529 1.00 0.00 H +ATOM 1190 HA ILE A 84 -6.717 8.733 0.516 1.00 0.00 H +ATOM 1191 HB ILE A 84 -5.818 5.969 -0.292 1.00 0.00 H +ATOM 1192 HG12 ILE A 84 -6.544 7.127 2.408 1.00 0.00 H +ATOM 1193 HG13 ILE A 84 -7.609 6.130 1.423 1.00 0.00 H +ATOM 1194 HG21 ILE A 84 -4.216 6.990 1.798 1.00 0.00 H +ATOM 1195 HG22 ILE A 84 -3.725 6.543 0.165 1.00 0.00 H +ATOM 1196 HG23 ILE A 84 -4.231 8.196 0.511 1.00 0.00 H +ATOM 1197 HD11 ILE A 84 -6.567 4.835 3.191 1.00 0.00 H +ATOM 1198 HD12 ILE A 84 -6.038 4.275 1.604 1.00 0.00 H +ATOM 1199 HD13 ILE A 84 -4.969 5.275 2.587 1.00 0.00 H +ATOM 1200 N LYS A 85 -5.146 9.744 -1.101 1.00 0.00 N +ATOM 1201 CA LYS A 85 -4.280 10.404 -2.072 1.00 0.00 C +ATOM 1202 C LYS A 85 -2.835 10.426 -1.585 1.00 0.00 C +ATOM 1203 O LYS A 85 -2.559 10.156 -0.417 1.00 0.00 O +ATOM 1204 CB LYS A 85 -4.765 11.833 -2.328 1.00 0.00 C +ATOM 1205 CG LYS A 85 -6.225 11.916 -2.739 1.00 0.00 C +ATOM 1206 CD LYS A 85 -7.136 12.059 -1.532 1.00 0.00 C +ATOM 1207 CE LYS A 85 -7.209 13.502 -1.056 1.00 0.00 C +ATOM 1208 NZ LYS A 85 -7.831 13.610 0.293 1.00 0.00 N +ATOM 1209 H LYS A 85 -5.339 10.192 -0.251 1.00 0.00 H +ATOM 1210 HA LYS A 85 -4.329 9.846 -2.994 1.00 0.00 H +ATOM 1211 HB2 LYS A 85 -4.632 12.413 -1.427 1.00 0.00 H +ATOM 1212 HB3 LYS A 85 -4.166 12.267 -3.116 1.00 0.00 H +ATOM 1213 HG2 LYS A 85 -6.360 12.773 -3.383 1.00 0.00 H +ATOM 1214 HG3 LYS A 85 -6.490 11.016 -3.275 1.00 0.00 H +ATOM 1215 HD2 LYS A 85 -8.129 11.730 -1.801 1.00 0.00 H +ATOM 1216 HD3 LYS A 85 -6.756 11.443 -0.730 1.00 0.00 H +ATOM 1217 HE2 LYS A 85 -6.208 13.904 -1.015 1.00 0.00 H +ATOM 1218 HE3 LYS A 85 -7.797 14.070 -1.761 1.00 0.00 H +ATOM 1219 HZ1 LYS A 85 -8.277 14.543 0.406 1.00 0.00 H +ATOM 1220 HZ2 LYS A 85 -7.107 13.493 1.030 1.00 0.00 H +ATOM 1221 HZ3 LYS A 85 -8.555 12.874 0.413 1.00 0.00 H +ATOM 1222 N ASN A 86 -1.916 10.750 -2.489 1.00 0.00 N +ATOM 1223 CA ASN A 86 -0.498 10.808 -2.151 1.00 0.00 C +ATOM 1224 C ASN A 86 -0.147 12.144 -1.504 1.00 0.00 C +ATOM 1225 O ASN A 86 0.670 12.207 -0.586 1.00 0.00 O +ATOM 1226 CB ASN A 86 0.355 10.595 -3.403 1.00 0.00 C +ATOM 1227 CG ASN A 86 -0.245 11.253 -4.631 1.00 0.00 C +ATOM 1228 OD1 ASN A 86 -1.284 10.824 -5.133 1.00 0.00 O +ATOM 1229 ND2 ASN A 86 0.409 12.300 -5.120 1.00 0.00 N +ATOM 1230 H ASN A 86 -2.197 10.955 -3.405 1.00 0.00 H +ATOM 1231 HA ASN A 86 -0.293 10.016 -1.447 1.00 0.00 H +ATOM 1232 HB2 ASN A 86 1.337 11.014 -3.238 1.00 0.00 H +ATOM 1233 HB3 ASN A 86 0.447 9.536 -3.593 1.00 0.00 H +ATOM 1234 HD21 ASN A 86 1.230 12.586 -4.668 1.00 0.00 H +ATOM 1235 HD22 ASN A 86 0.042 12.745 -5.913 1.00 0.00 H +ATOM 1236 N THR A 87 -0.772 13.213 -1.990 1.00 0.00 N +ATOM 1237 CA THR A 87 -0.526 14.548 -1.460 1.00 0.00 C +ATOM 1238 C THR A 87 -0.482 14.536 0.063 1.00 0.00 C +ATOM 1239 O THR A 87 0.486 14.996 0.669 1.00 0.00 O +ATOM 1240 CB THR A 87 -1.606 15.544 -1.923 1.00 0.00 C +ATOM 1241 OG1 THR A 87 -2.882 15.162 -1.397 1.00 0.00 O +ATOM 1242 CG2 THR A 87 -1.675 15.601 -3.442 1.00 0.00 C +ATOM 1243 H THR A 87 -1.413 13.099 -2.722 1.00 0.00 H +ATOM 1244 HA THR A 87 0.429 14.885 -1.836 1.00 0.00 H +ATOM 1245 HB THR A 87 -1.351 16.526 -1.552 1.00 0.00 H +ATOM 1246 HG1 THR A 87 -3.133 14.307 -1.755 1.00 0.00 H +ATOM 1247 HG21 THR A 87 -2.302 16.427 -3.743 1.00 0.00 H +ATOM 1248 HG22 THR A 87 -2.090 14.678 -3.818 1.00 0.00 H +ATOM 1249 HG23 THR A 87 -0.682 15.738 -3.842 1.00 0.00 H +ATOM 1250 N ASP A 88 -1.534 14.006 0.677 1.00 0.00 N +ATOM 1251 CA ASP A 88 -1.614 13.932 2.131 1.00 0.00 C +ATOM 1252 C ASP A 88 -0.401 13.208 2.706 1.00 0.00 C +ATOM 1253 O ASP A 88 0.263 13.713 3.612 1.00 0.00 O +ATOM 1254 CB ASP A 88 -2.898 13.218 2.557 1.00 0.00 C +ATOM 1255 CG ASP A 88 -4.083 13.592 1.688 1.00 0.00 C +ATOM 1256 OD1 ASP A 88 -4.459 14.783 1.678 1.00 0.00 O +ATOM 1257 OD2 ASP A 88 -4.635 12.694 1.019 1.00 0.00 O +ATOM 1258 H ASP A 88 -2.274 13.655 0.139 1.00 0.00 H +ATOM 1259 HA ASP A 88 -1.631 14.941 2.514 1.00 0.00 H +ATOM 1260 HB2 ASP A 88 -2.748 12.150 2.488 1.00 0.00 H +ATOM 1261 HB3 ASP A 88 -3.126 13.481 3.579 1.00 0.00 H +ATOM 1262 N ILE A 89 -0.118 12.024 2.175 1.00 0.00 N +ATOM 1263 CA ILE A 89 1.015 11.231 2.636 1.00 0.00 C +ATOM 1264 C ILE A 89 2.288 12.069 2.685 1.00 0.00 C +ATOM 1265 O ILE A 89 2.879 12.258 3.748 1.00 0.00 O +ATOM 1266 CB ILE A 89 1.253 10.009 1.729 1.00 0.00 C +ATOM 1267 CG1 ILE A 89 0.001 9.131 1.681 1.00 0.00 C +ATOM 1268 CG2 ILE A 89 2.450 9.209 2.222 1.00 0.00 C +ATOM 1269 CD1 ILE A 89 0.054 8.062 0.612 1.00 0.00 C +ATOM 1270 H ILE A 89 -0.684 11.675 1.456 1.00 0.00 H +ATOM 1271 HA ILE A 89 0.791 10.877 3.632 1.00 0.00 H +ATOM 1272 HB ILE A 89 1.474 10.364 0.734 1.00 0.00 H +ATOM 1273 HG12 ILE A 89 -0.124 8.640 2.633 1.00 0.00 H +ATOM 1274 HG13 ILE A 89 -0.859 9.755 1.486 1.00 0.00 H +ATOM 1275 HG21 ILE A 89 2.447 8.234 1.758 1.00 0.00 H +ATOM 1276 HG22 ILE A 89 3.361 9.727 1.963 1.00 0.00 H +ATOM 1277 HG23 ILE A 89 2.391 9.097 3.294 1.00 0.00 H +ATOM 1278 HD11 ILE A 89 -0.383 7.151 0.992 1.00 0.00 H +ATOM 1279 HD12 ILE A 89 -0.497 8.393 -0.256 1.00 0.00 H +ATOM 1280 HD13 ILE A 89 1.083 7.879 0.336 1.00 0.00 H +ATOM 1281 N ALA A 90 2.705 12.571 1.527 1.00 0.00 N +ATOM 1282 CA ALA A 90 3.906 13.393 1.438 1.00 0.00 C +ATOM 1283 C ALA A 90 3.968 14.399 2.582 1.00 0.00 C +ATOM 1284 O ALA A 90 5.028 14.627 3.165 1.00 0.00 O +ATOM 1285 CB ALA A 90 3.956 14.111 0.098 1.00 0.00 C +ATOM 1286 H ALA A 90 2.191 12.386 0.713 1.00 0.00 H +ATOM 1287 HA ALA A 90 4.763 12.738 1.501 1.00 0.00 H +ATOM 1288 HB1 ALA A 90 4.748 14.845 0.113 1.00 0.00 H +ATOM 1289 HB2 ALA A 90 4.144 13.394 -0.688 1.00 0.00 H +ATOM 1290 HB3 ALA A 90 3.012 14.604 -0.082 1.00 0.00 H +ATOM 1291 N LYS A 91 2.826 15.000 2.898 1.00 0.00 N +ATOM 1292 CA LYS A 91 2.749 15.982 3.973 1.00 0.00 C +ATOM 1293 C LYS A 91 2.937 15.317 5.333 1.00 0.00 C +ATOM 1294 O LYS A 91 3.654 15.830 6.191 1.00 0.00 O +ATOM 1295 CB LYS A 91 1.404 16.711 3.931 1.00 0.00 C +ATOM 1296 CG LYS A 91 1.307 17.865 4.914 1.00 0.00 C +ATOM 1297 CD LYS A 91 -0.139 18.188 5.254 1.00 0.00 C +ATOM 1298 CE LYS A 91 -0.236 19.092 6.473 1.00 0.00 C +ATOM 1299 NZ LYS A 91 0.302 20.453 6.199 1.00 0.00 N +ATOM 1300 H LYS A 91 2.013 14.777 2.397 1.00 0.00 H +ATOM 1301 HA LYS A 91 3.542 16.700 3.824 1.00 0.00 H +ATOM 1302 HB2 LYS A 91 1.249 17.099 2.935 1.00 0.00 H +ATOM 1303 HB3 LYS A 91 0.619 16.005 4.159 1.00 0.00 H +ATOM 1304 HG2 LYS A 91 1.828 17.599 5.821 1.00 0.00 H +ATOM 1305 HG3 LYS A 91 1.768 18.739 4.475 1.00 0.00 H +ATOM 1306 HD2 LYS A 91 -0.595 18.687 4.412 1.00 0.00 H +ATOM 1307 HD3 LYS A 91 -0.666 17.266 5.457 1.00 0.00 H +ATOM 1308 HE2 LYS A 91 -1.272 19.175 6.761 1.00 0.00 H +ATOM 1309 HE3 LYS A 91 0.327 18.647 7.280 1.00 0.00 H +ATOM 1310 HZ1 LYS A 91 1.032 20.696 6.899 1.00 0.00 H +ATOM 1311 HZ2 LYS A 91 -0.462 21.156 6.252 1.00 0.00 H +ATOM 1312 HZ3 LYS A 91 0.724 20.486 5.249 1.00 0.00 H +ATOM 1313 N GLU A 92 2.289 14.171 5.521 1.00 0.00 N +ATOM 1314 CA GLU A 92 2.387 13.437 6.776 1.00 0.00 C +ATOM 1315 C GLU A 92 3.841 13.112 7.105 1.00 0.00 C +ATOM 1316 O GLU A 92 4.306 13.354 8.220 1.00 0.00 O +ATOM 1317 CB GLU A 92 1.568 12.146 6.702 1.00 0.00 C +ATOM 1318 CG GLU A 92 1.192 11.585 8.063 1.00 0.00 C +ATOM 1319 CD GLU A 92 0.591 12.633 8.980 1.00 0.00 C +ATOM 1320 OE1 GLU A 92 -0.098 13.541 8.470 1.00 0.00 O +ATOM 1321 OE2 GLU A 92 0.810 12.545 10.206 1.00 0.00 O +ATOM 1322 H GLU A 92 1.733 13.813 4.798 1.00 0.00 H +ATOM 1323 HA GLU A 92 1.984 14.062 7.559 1.00 0.00 H +ATOM 1324 HB2 GLU A 92 0.660 12.340 6.151 1.00 0.00 H +ATOM 1325 HB3 GLU A 92 2.145 11.399 6.176 1.00 0.00 H +ATOM 1326 HG2 GLU A 92 0.470 10.794 7.925 1.00 0.00 H +ATOM 1327 HG3 GLU A 92 2.078 11.184 8.531 1.00 0.00 H +ATOM 1328 N LEU A 93 4.553 12.561 6.128 1.00 0.00 N +ATOM 1329 CA LEU A 93 5.955 12.202 6.313 1.00 0.00 C +ATOM 1330 C LEU A 93 6.851 13.433 6.210 1.00 0.00 C +ATOM 1331 O LEU A 93 8.003 13.412 6.643 1.00 0.00 O +ATOM 1332 CB LEU A 93 6.377 11.162 5.273 1.00 0.00 C +ATOM 1333 CG LEU A 93 5.683 9.803 5.364 1.00 0.00 C +ATOM 1334 CD1 LEU A 93 5.455 9.416 6.817 1.00 0.00 C +ATOM 1335 CD2 LEU A 93 4.365 9.825 4.603 1.00 0.00 C +ATOM 1336 H LEU A 93 4.128 12.392 5.262 1.00 0.00 H +ATOM 1337 HA LEU A 93 6.061 11.776 7.299 1.00 0.00 H +ATOM 1338 HB2 LEU A 93 6.175 11.572 4.295 1.00 0.00 H +ATOM 1339 HB3 LEU A 93 7.440 11.000 5.381 1.00 0.00 H +ATOM 1340 HG LEU A 93 6.317 9.051 4.914 1.00 0.00 H +ATOM 1341 HD11 LEU A 93 4.618 9.973 7.210 1.00 0.00 H +ATOM 1342 HD12 LEU A 93 6.340 9.641 7.392 1.00 0.00 H +ATOM 1343 HD13 LEU A 93 5.245 8.358 6.879 1.00 0.00 H +ATOM 1344 HD21 LEU A 93 4.546 10.118 3.579 1.00 0.00 H +ATOM 1345 HD22 LEU A 93 3.693 10.533 5.067 1.00 0.00 H +ATOM 1346 HD23 LEU A 93 3.921 8.841 4.622 1.00 0.00 H +ATOM 1347 N CYS A 94 6.313 14.503 5.637 1.00 0.00 N +ATOM 1348 CA CYS A 94 7.063 15.744 5.478 1.00 0.00 C +ATOM 1349 C CYS A 94 8.344 15.508 4.686 1.00 0.00 C +ATOM 1350 O CYS A 94 9.425 15.940 5.089 1.00 0.00 O +ATOM 1351 CB CYS A 94 7.397 16.340 6.846 1.00 0.00 C +ATOM 1352 SG CYS A 94 5.957 16.927 7.769 1.00 0.00 S +ATOM 1353 H CYS A 94 5.389 14.459 5.311 1.00 0.00 H +ATOM 1354 HA CYS A 94 6.441 16.439 4.935 1.00 0.00 H +ATOM 1355 HB2 CYS A 94 7.888 15.589 7.448 1.00 0.00 H +ATOM 1356 HB3 CYS A 94 8.067 17.177 6.712 1.00 0.00 H +ATOM 1357 HG CYS A 94 5.438 15.895 8.416 1.00 0.00 H +ATOM 1358 N LEU A 95 8.217 14.818 3.558 1.00 0.00 N +ATOM 1359 CA LEU A 95 9.365 14.522 2.708 1.00 0.00 C +ATOM 1360 C LEU A 95 9.648 15.677 1.753 1.00 0.00 C +ATOM 1361 O LEU A 95 8.755 16.436 1.377 1.00 0.00 O +ATOM 1362 CB LEU A 95 9.120 13.237 1.915 1.00 0.00 C +ATOM 1363 CG LEU A 95 7.936 13.262 0.947 1.00 0.00 C +ATOM 1364 CD1 LEU A 95 8.384 13.722 -0.432 1.00 0.00 C +ATOM 1365 CD2 LEU A 95 7.284 11.889 0.867 1.00 0.00 C +ATOM 1366 H LEU A 95 7.330 14.500 3.289 1.00 0.00 H +ATOM 1367 HA LEU A 95 10.223 14.381 3.348 1.00 0.00 H +ATOM 1368 HB2 LEU A 95 10.010 13.027 1.343 1.00 0.00 H +ATOM 1369 HB3 LEU A 95 8.953 12.438 2.624 1.00 0.00 H +ATOM 1370 HG LEU A 95 7.198 13.963 1.309 1.00 0.00 H +ATOM 1371 HD11 LEU A 95 9.374 13.344 -0.634 1.00 0.00 H +ATOM 1372 HD12 LEU A 95 8.397 14.802 -0.464 1.00 0.00 H +ATOM 1373 HD13 LEU A 95 7.696 13.349 -1.176 1.00 0.00 H +ATOM 1374 HD21 LEU A 95 8.033 11.126 1.019 1.00 0.00 H +ATOM 1375 HD22 LEU A 95 6.832 11.761 -0.106 1.00 0.00 H +ATOM 1376 HD23 LEU A 95 6.525 11.806 1.631 1.00 0.00 H +ATOM 1377 N PRO A 96 10.920 15.813 1.349 1.00 0.00 N +ATOM 1378 CA PRO A 96 11.350 16.871 0.430 1.00 0.00 C +ATOM 1379 C PRO A 96 10.820 16.661 -0.984 1.00 0.00 C +ATOM 1380 O PRO A 96 10.269 15.611 -1.318 1.00 0.00 O +ATOM 1381 CB PRO A 96 12.876 16.760 0.451 1.00 0.00 C +ATOM 1382 CG PRO A 96 13.149 15.345 0.829 1.00 0.00 C +ATOM 1383 CD PRO A 96 12.036 14.944 1.757 1.00 0.00 C +ATOM 1384 HA PRO A 96 11.053 17.848 0.783 1.00 0.00 H +ATOM 1385 HB2 PRO A 96 13.270 16.991 -0.529 1.00 0.00 H +ATOM 1386 HB3 PRO A 96 13.281 17.448 1.178 1.00 0.00 H +ATOM 1387 HG2 PRO A 96 13.145 14.723 -0.053 1.00 0.00 H +ATOM 1388 HG3 PRO A 96 14.101 15.278 1.334 1.00 0.00 H +ATOM 1389 HD2 PRO A 96 11.785 13.902 1.617 1.00 0.00 H +ATOM 1390 HD3 PRO A 96 12.315 15.132 2.784 1.00 0.00 H +ATOM 1391 N PRO A 97 10.988 17.682 -1.838 1.00 0.00 N +ATOM 1392 CA PRO A 97 10.534 17.632 -3.231 1.00 0.00 C +ATOM 1393 C PRO A 97 11.356 16.663 -4.074 1.00 0.00 C +ATOM 1394 O PRO A 97 10.969 16.311 -5.189 1.00 0.00 O +ATOM 1395 CB PRO A 97 10.734 19.068 -3.721 1.00 0.00 C +ATOM 1396 CG PRO A 97 11.811 19.619 -2.851 1.00 0.00 C +ATOM 1397 CD PRO A 97 11.636 18.963 -1.509 1.00 0.00 C +ATOM 1398 HA PRO A 97 9.489 17.369 -3.298 1.00 0.00 H +ATOM 1399 HB2 PRO A 97 11.031 19.059 -4.760 1.00 0.00 H +ATOM 1400 HB3 PRO A 97 9.814 19.622 -3.608 1.00 0.00 H +ATOM 1401 HG2 PRO A 97 12.778 19.375 -3.264 1.00 0.00 H +ATOM 1402 HG3 PRO A 97 11.699 20.689 -2.762 1.00 0.00 H +ATOM 1403 HD2 PRO A 97 12.595 18.801 -1.040 1.00 0.00 H +ATOM 1404 HD3 PRO A 97 11.000 19.564 -0.876 1.00 0.00 H +ATOM 1405 N VAL A 98 12.492 16.233 -3.535 1.00 0.00 N +ATOM 1406 CA VAL A 98 13.368 15.303 -4.237 1.00 0.00 C +ATOM 1407 C VAL A 98 12.932 13.860 -4.011 1.00 0.00 C +ATOM 1408 O VAL A 98 13.124 12.999 -4.869 1.00 0.00 O +ATOM 1409 CB VAL A 98 14.833 15.462 -3.787 1.00 0.00 C +ATOM 1410 CG1 VAL A 98 14.946 15.319 -2.277 1.00 0.00 C +ATOM 1411 CG2 VAL A 98 15.720 14.449 -4.495 1.00 0.00 C +ATOM 1412 H VAL A 98 12.748 16.549 -2.643 1.00 0.00 H +ATOM 1413 HA VAL A 98 13.312 15.524 -5.293 1.00 0.00 H +ATOM 1414 HB VAL A 98 15.166 16.453 -4.059 1.00 0.00 H +ATOM 1415 HG11 VAL A 98 15.573 14.471 -2.042 1.00 0.00 H +ATOM 1416 HG12 VAL A 98 15.380 16.216 -1.862 1.00 0.00 H +ATOM 1417 HG13 VAL A 98 13.963 15.165 -1.856 1.00 0.00 H +ATOM 1418 HG21 VAL A 98 15.599 13.481 -4.033 1.00 0.00 H +ATOM 1419 HG22 VAL A 98 15.438 14.388 -5.536 1.00 0.00 H +ATOM 1420 HG23 VAL A 98 16.752 14.758 -4.420 1.00 0.00 H +ATOM 1421 N LYS A 99 12.343 13.601 -2.848 1.00 0.00 N +ATOM 1422 CA LYS A 99 11.876 12.263 -2.507 1.00 0.00 C +ATOM 1423 C LYS A 99 10.372 12.138 -2.727 1.00 0.00 C +ATOM 1424 O LYS A 99 9.685 11.421 -1.998 1.00 0.00 O +ATOM 1425 CB LYS A 99 12.218 11.937 -1.051 1.00 0.00 C +ATOM 1426 CG LYS A 99 13.693 12.091 -0.723 1.00 0.00 C +ATOM 1427 CD LYS A 99 14.541 11.083 -1.481 1.00 0.00 C +ATOM 1428 CE LYS A 99 16.019 11.440 -1.419 1.00 0.00 C +ATOM 1429 NZ LYS A 99 16.607 11.137 -0.085 1.00 0.00 N +ATOM 1430 H LYS A 99 12.218 14.330 -2.204 1.00 0.00 H +ATOM 1431 HA LYS A 99 12.382 11.561 -3.152 1.00 0.00 H +ATOM 1432 HB2 LYS A 99 11.657 12.596 -0.406 1.00 0.00 H +ATOM 1433 HB3 LYS A 99 11.931 10.916 -0.846 1.00 0.00 H +ATOM 1434 HG2 LYS A 99 14.011 13.088 -0.994 1.00 0.00 H +ATOM 1435 HG3 LYS A 99 13.835 11.942 0.338 1.00 0.00 H +ATOM 1436 HD2 LYS A 99 14.400 10.106 -1.044 1.00 0.00 H +ATOM 1437 HD3 LYS A 99 14.227 11.066 -2.515 1.00 0.00 H +ATOM 1438 HE2 LYS A 99 16.544 10.872 -2.172 1.00 0.00 H +ATOM 1439 HE3 LYS A 99 16.130 12.495 -1.621 1.00 0.00 H +ATOM 1440 HZ1 LYS A 99 16.404 11.912 0.579 1.00 0.00 H +ATOM 1441 HZ2 LYS A 99 17.638 11.026 -0.166 1.00 0.00 H +ATOM 1442 HZ3 LYS A 99 16.202 10.257 0.293 1.00 0.00 H +ATOM 1443 N LEU A 100 9.867 12.838 -3.736 1.00 0.00 N +ATOM 1444 CA LEU A 100 8.443 12.804 -4.054 1.00 0.00 C +ATOM 1445 C LEU A 100 8.051 11.458 -4.655 1.00 0.00 C +ATOM 1446 O LEU A 100 7.002 10.902 -4.329 1.00 0.00 O +ATOM 1447 CB LEU A 100 8.090 13.932 -5.025 1.00 0.00 C +ATOM 1448 CG LEU A 100 7.712 15.271 -4.390 1.00 0.00 C +ATOM 1449 CD1 LEU A 100 7.620 16.357 -5.450 1.00 0.00 C +ATOM 1450 CD2 LEU A 100 6.398 15.149 -3.632 1.00 0.00 C +ATOM 1451 H LEU A 100 10.464 13.390 -4.282 1.00 0.00 H +ATOM 1452 HA LEU A 100 7.895 12.947 -3.134 1.00 0.00 H +ATOM 1453 HB2 LEU A 100 8.945 14.099 -5.663 1.00 0.00 H +ATOM 1454 HB3 LEU A 100 7.254 13.601 -5.625 1.00 0.00 H +ATOM 1455 HG LEU A 100 8.480 15.557 -3.685 1.00 0.00 H +ATOM 1456 HD11 LEU A 100 8.549 16.904 -5.487 1.00 0.00 H +ATOM 1457 HD12 LEU A 100 6.813 17.032 -5.204 1.00 0.00 H +ATOM 1458 HD13 LEU A 100 7.429 15.905 -6.413 1.00 0.00 H +ATOM 1459 HD21 LEU A 100 5.990 16.134 -3.459 1.00 0.00 H +ATOM 1460 HD22 LEU A 100 6.573 14.660 -2.685 1.00 0.00 H +ATOM 1461 HD23 LEU A 100 5.699 14.567 -4.215 1.00 0.00 H +ATOM 1462 N HIS A 101 8.902 10.939 -5.535 1.00 0.00 N +ATOM 1463 CA HIS A 101 8.646 9.656 -6.180 1.00 0.00 C +ATOM 1464 C HIS A 101 8.028 8.666 -5.197 1.00 0.00 C +ATOM 1465 O HIS A 101 7.160 7.873 -5.562 1.00 0.00 O +ATOM 1466 CB HIS A 101 9.942 9.082 -6.753 1.00 0.00 C +ATOM 1467 CG HIS A 101 10.948 8.713 -5.707 1.00 0.00 C +ATOM 1468 ND1 HIS A 101 11.797 9.630 -5.123 1.00 0.00 N +ATOM 1469 CD2 HIS A 101 11.237 7.519 -5.139 1.00 0.00 C +ATOM 1470 CE1 HIS A 101 12.566 9.015 -4.242 1.00 0.00 C +ATOM 1471 NE2 HIS A 101 12.246 7.733 -4.232 1.00 0.00 N +ATOM 1472 H HIS A 101 9.721 11.429 -5.754 1.00 0.00 H +ATOM 1473 HA HIS A 101 7.949 9.824 -6.987 1.00 0.00 H +ATOM 1474 HB2 HIS A 101 9.713 8.192 -7.321 1.00 0.00 H +ATOM 1475 HB3 HIS A 101 10.394 9.814 -7.407 1.00 0.00 H +ATOM 1476 HD1 HIS A 101 11.831 10.587 -5.325 1.00 0.00 H +ATOM 1477 HD2 HIS A 101 10.764 6.572 -5.358 1.00 0.00 H +ATOM 1478 HE1 HIS A 101 13.326 9.480 -3.633 1.00 0.00 H +ATOM 1479 N CYS A 102 8.482 8.719 -3.949 1.00 0.00 N +ATOM 1480 CA CYS A 102 7.975 7.826 -2.913 1.00 0.00 C +ATOM 1481 C CYS A 102 6.497 8.091 -2.642 1.00 0.00 C +ATOM 1482 O CYS A 102 5.663 7.194 -2.764 1.00 0.00 O +ATOM 1483 CB CYS A 102 8.780 7.997 -1.624 1.00 0.00 C +ATOM 1484 SG CYS A 102 10.467 7.352 -1.717 1.00 0.00 S +ATOM 1485 H CYS A 102 9.174 9.373 -3.719 1.00 0.00 H +ATOM 1486 HA CYS A 102 8.087 6.813 -3.266 1.00 0.00 H +ATOM 1487 HB2 CYS A 102 8.845 9.049 -1.386 1.00 0.00 H +ATOM 1488 HB3 CYS A 102 8.274 7.483 -0.821 1.00 0.00 H +ATOM 1489 HG CYS A 102 11.296 8.383 -1.785 1.00 0.00 H +ATOM 1490 N SER A 103 6.181 9.328 -2.273 1.00 0.00 N +ATOM 1491 CA SER A 103 4.805 9.710 -1.980 1.00 0.00 C +ATOM 1492 C SER A 103 3.835 9.030 -2.942 1.00 0.00 C +ATOM 1493 O SER A 103 2.994 8.232 -2.531 1.00 0.00 O +ATOM 1494 CB SER A 103 4.645 11.229 -2.066 1.00 0.00 C +ATOM 1495 OG SER A 103 3.280 11.603 -1.998 1.00 0.00 O +ATOM 1496 H SER A 103 6.891 9.999 -2.194 1.00 0.00 H +ATOM 1497 HA SER A 103 4.579 9.389 -0.973 1.00 0.00 H +ATOM 1498 HB2 SER A 103 5.173 11.691 -1.246 1.00 0.00 H +ATOM 1499 HB3 SER A 103 5.056 11.579 -3.002 1.00 0.00 H +ATOM 1500 HG SER A 103 3.043 12.096 -2.787 1.00 0.00 H +ATOM 1501 N MET A 104 3.960 9.353 -4.225 1.00 0.00 N +ATOM 1502 CA MET A 104 3.096 8.773 -5.246 1.00 0.00 C +ATOM 1503 C MET A 104 3.168 7.250 -5.218 1.00 0.00 C +ATOM 1504 O MET A 104 2.151 6.568 -5.352 1.00 0.00 O +ATOM 1505 CB MET A 104 3.492 9.288 -6.631 1.00 0.00 C +ATOM 1506 CG MET A 104 4.972 9.128 -6.940 1.00 0.00 C +ATOM 1507 SD MET A 104 5.485 10.068 -8.390 1.00 0.00 S +ATOM 1508 CE MET A 104 5.359 11.743 -7.769 1.00 0.00 C +ATOM 1509 H MET A 104 4.650 9.996 -4.491 1.00 0.00 H +ATOM 1510 HA MET A 104 2.083 9.078 -5.035 1.00 0.00 H +ATOM 1511 HB2 MET A 104 2.930 8.747 -7.378 1.00 0.00 H +ATOM 1512 HB3 MET A 104 3.245 10.337 -6.697 1.00 0.00 H +ATOM 1513 HG2 MET A 104 5.543 9.467 -6.089 1.00 0.00 H +ATOM 1514 HG3 MET A 104 5.177 8.082 -7.114 1.00 0.00 H +ATOM 1515 HE1 MET A 104 4.319 11.998 -7.628 1.00 0.00 H +ATOM 1516 HE2 MET A 104 5.879 11.817 -6.825 1.00 0.00 H +ATOM 1517 HE3 MET A 104 5.804 12.425 -8.480 1.00 0.00 H +ATOM 1518 N LEU A 105 4.374 6.722 -5.043 1.00 0.00 N +ATOM 1519 CA LEU A 105 4.579 5.278 -4.997 1.00 0.00 C +ATOM 1520 C LEU A 105 3.572 4.615 -4.062 1.00 0.00 C +ATOM 1521 O LEU A 105 2.988 3.584 -4.393 1.00 0.00 O +ATOM 1522 CB LEU A 105 6.003 4.959 -4.541 1.00 0.00 C +ATOM 1523 CG LEU A 105 6.568 3.613 -4.997 1.00 0.00 C +ATOM 1524 CD1 LEU A 105 6.672 3.564 -6.513 1.00 0.00 C +ATOM 1525 CD2 LEU A 105 7.927 3.362 -4.359 1.00 0.00 C +ATOM 1526 H LEU A 105 5.147 7.316 -4.942 1.00 0.00 H +ATOM 1527 HA LEU A 105 4.433 4.891 -5.995 1.00 0.00 H +ATOM 1528 HB2 LEU A 105 6.652 5.735 -4.917 1.00 0.00 H +ATOM 1529 HB3 LEU A 105 6.015 4.975 -3.460 1.00 0.00 H +ATOM 1530 HG LEU A 105 5.899 2.824 -4.683 1.00 0.00 H +ATOM 1531 HD11 LEU A 105 6.543 4.557 -6.915 1.00 0.00 H +ATOM 1532 HD12 LEU A 105 5.904 2.914 -6.905 1.00 0.00 H +ATOM 1533 HD13 LEU A 105 7.643 3.184 -6.795 1.00 0.00 H +ATOM 1534 HD21 LEU A 105 8.046 2.305 -4.172 1.00 0.00 H +ATOM 1535 HD22 LEU A 105 7.992 3.902 -3.425 1.00 0.00 H +ATOM 1536 HD23 LEU A 105 8.706 3.700 -5.026 1.00 0.00 H +ATOM 1537 N ALA A 106 3.374 5.216 -2.893 1.00 0.00 N +ATOM 1538 CA ALA A 106 2.435 4.687 -1.912 1.00 0.00 C +ATOM 1539 C ALA A 106 1.035 4.562 -2.503 1.00 0.00 C +ATOM 1540 O ALA A 106 0.459 3.475 -2.533 1.00 0.00 O +ATOM 1541 CB ALA A 106 2.410 5.572 -0.674 1.00 0.00 C +ATOM 1542 H ALA A 106 3.869 6.036 -2.687 1.00 0.00 H +ATOM 1543 HA ALA A 106 2.779 3.706 -1.616 1.00 0.00 H +ATOM 1544 HB1 ALA A 106 3.291 6.197 -0.662 1.00 0.00 H +ATOM 1545 HB2 ALA A 106 1.528 6.193 -0.694 1.00 0.00 H +ATOM 1546 HB3 ALA A 106 2.395 4.952 0.210 1.00 0.00 H +ATOM 1547 N GLU A 107 0.493 5.682 -2.971 1.00 0.00 N +ATOM 1548 CA GLU A 107 -0.841 5.696 -3.560 1.00 0.00 C +ATOM 1549 C GLU A 107 -0.965 4.637 -4.652 1.00 0.00 C +ATOM 1550 O GLU A 107 -1.888 3.822 -4.638 1.00 0.00 O +ATOM 1551 CB GLU A 107 -1.153 7.078 -4.138 1.00 0.00 C +ATOM 1552 CG GLU A 107 -2.502 7.157 -4.833 1.00 0.00 C +ATOM 1553 CD GLU A 107 -2.410 6.867 -6.318 1.00 0.00 C +ATOM 1554 OE1 GLU A 107 -2.021 5.737 -6.679 1.00 0.00 O +ATOM 1555 OE2 GLU A 107 -2.728 7.770 -7.120 1.00 0.00 O +ATOM 1556 H GLU A 107 1.002 6.518 -2.919 1.00 0.00 H +ATOM 1557 HA GLU A 107 -1.551 5.474 -2.778 1.00 0.00 H +ATOM 1558 HB2 GLU A 107 -1.141 7.801 -3.336 1.00 0.00 H +ATOM 1559 HB3 GLU A 107 -0.387 7.336 -4.854 1.00 0.00 H +ATOM 1560 HG2 GLU A 107 -3.168 6.437 -4.382 1.00 0.00 H +ATOM 1561 HG3 GLU A 107 -2.904 8.150 -4.699 1.00 0.00 H +ATOM 1562 N ASP A 108 -0.030 4.656 -5.595 1.00 0.00 N +ATOM 1563 CA ASP A 108 -0.034 3.697 -6.694 1.00 0.00 C +ATOM 1564 C ASP A 108 -0.165 2.270 -6.171 1.00 0.00 C +ATOM 1565 O ASP A 108 -0.869 1.447 -6.754 1.00 0.00 O +ATOM 1566 CB ASP A 108 1.245 3.834 -7.523 1.00 0.00 C +ATOM 1567 CG ASP A 108 1.037 3.455 -8.976 1.00 0.00 C +ATOM 1568 OD1 ASP A 108 -0.093 3.631 -9.479 1.00 0.00 O +ATOM 1569 OD2 ASP A 108 2.003 2.982 -9.609 1.00 0.00 O +ATOM 1570 H ASP A 108 0.680 5.330 -5.551 1.00 0.00 H +ATOM 1571 HA ASP A 108 -0.884 3.916 -7.323 1.00 0.00 H +ATOM 1572 HB2 ASP A 108 1.583 4.860 -7.483 1.00 0.00 H +ATOM 1573 HB3 ASP A 108 2.006 3.192 -7.106 1.00 0.00 H +ATOM 1574 N ALA A 109 0.520 1.985 -5.068 1.00 0.00 N +ATOM 1575 CA ALA A 109 0.479 0.659 -4.465 1.00 0.00 C +ATOM 1576 C ALA A 109 -0.918 0.333 -3.949 1.00 0.00 C +ATOM 1577 O ALA A 109 -1.478 -0.717 -4.265 1.00 0.00 O +ATOM 1578 CB ALA A 109 1.497 0.559 -3.339 1.00 0.00 C +ATOM 1579 H ALA A 109 1.063 2.684 -4.649 1.00 0.00 H +ATOM 1580 HA ALA A 109 0.748 -0.061 -5.225 1.00 0.00 H +ATOM 1581 HB1 ALA A 109 1.089 1.010 -2.445 1.00 0.00 H +ATOM 1582 HB2 ALA A 109 1.722 -0.479 -3.148 1.00 0.00 H +ATOM 1583 HB3 ALA A 109 2.400 1.078 -3.623 1.00 0.00 H +ATOM 1584 N ILE A 110 -1.476 1.239 -3.152 1.00 0.00 N +ATOM 1585 CA ILE A 110 -2.808 1.047 -2.593 1.00 0.00 C +ATOM 1586 C ILE A 110 -3.803 0.633 -3.672 1.00 0.00 C +ATOM 1587 O ILE A 110 -4.377 -0.455 -3.619 1.00 0.00 O +ATOM 1588 CB ILE A 110 -3.318 2.325 -1.902 1.00 0.00 C +ATOM 1589 CG1 ILE A 110 -2.372 2.732 -0.770 1.00 0.00 C +ATOM 1590 CG2 ILE A 110 -4.728 2.114 -1.372 1.00 0.00 C +ATOM 1591 CD1 ILE A 110 -2.458 4.198 -0.408 1.00 0.00 C +ATOM 1592 H ILE A 110 -0.980 2.055 -2.937 1.00 0.00 H +ATOM 1593 HA ILE A 110 -2.748 0.261 -1.853 1.00 0.00 H +ATOM 1594 HB ILE A 110 -3.350 3.116 -2.636 1.00 0.00 H +ATOM 1595 HG12 ILE A 110 -2.609 2.159 0.112 1.00 0.00 H +ATOM 1596 HG13 ILE A 110 -1.355 2.522 -1.068 1.00 0.00 H +ATOM 1597 HG21 ILE A 110 -5.240 3.064 -1.321 1.00 0.00 H +ATOM 1598 HG22 ILE A 110 -5.266 1.452 -2.033 1.00 0.00 H +ATOM 1599 HG23 ILE A 110 -4.680 1.678 -0.385 1.00 0.00 H +ATOM 1600 HD11 ILE A 110 -2.735 4.769 -1.282 1.00 0.00 H +ATOM 1601 HD12 ILE A 110 -3.201 4.336 0.363 1.00 0.00 H +ATOM 1602 HD13 ILE A 110 -1.498 4.536 -0.048 1.00 0.00 H +ATOM 1603 N LYS A 111 -4.002 1.508 -4.651 1.00 0.00 N +ATOM 1604 CA LYS A 111 -4.926 1.235 -5.746 1.00 0.00 C +ATOM 1605 C LYS A 111 -4.668 -0.145 -6.343 1.00 0.00 C +ATOM 1606 O LYS A 111 -5.534 -1.019 -6.305 1.00 0.00 O +ATOM 1607 CB LYS A 111 -4.793 2.305 -6.832 1.00 0.00 C +ATOM 1608 CG LYS A 111 -5.622 3.549 -6.566 1.00 0.00 C +ATOM 1609 CD LYS A 111 -4.835 4.587 -5.784 1.00 0.00 C +ATOM 1610 CE LYS A 111 -5.744 5.420 -4.892 1.00 0.00 C +ATOM 1611 NZ LYS A 111 -5.895 4.819 -3.538 1.00 0.00 N +ATOM 1612 H LYS A 111 -3.515 2.359 -4.638 1.00 0.00 H +ATOM 1613 HA LYS A 111 -5.929 1.260 -5.348 1.00 0.00 H +ATOM 1614 HB2 LYS A 111 -3.756 2.598 -6.907 1.00 0.00 H +ATOM 1615 HB3 LYS A 111 -5.107 1.883 -7.776 1.00 0.00 H +ATOM 1616 HG2 LYS A 111 -5.925 3.978 -7.509 1.00 0.00 H +ATOM 1617 HG3 LYS A 111 -6.498 3.271 -5.997 1.00 0.00 H +ATOM 1618 HD2 LYS A 111 -4.107 4.083 -5.165 1.00 0.00 H +ATOM 1619 HD3 LYS A 111 -4.329 5.241 -6.479 1.00 0.00 H +ATOM 1620 HE2 LYS A 111 -5.321 6.408 -4.794 1.00 0.00 H +ATOM 1621 HE3 LYS A 111 -6.716 5.489 -5.357 1.00 0.00 H +ATOM 1622 HZ1 LYS A 111 -6.864 4.963 -3.190 1.00 0.00 H +ATOM 1623 HZ2 LYS A 111 -5.231 5.265 -2.874 1.00 0.00 H +ATOM 1624 HZ3 LYS A 111 -5.698 3.799 -3.575 1.00 0.00 H +ATOM 1625 N ALA A 112 -3.473 -0.334 -6.893 1.00 0.00 N +ATOM 1626 CA ALA A 112 -3.101 -1.609 -7.494 1.00 0.00 C +ATOM 1627 C ALA A 112 -3.646 -2.778 -6.681 1.00 0.00 C +ATOM 1628 O ALA A 112 -4.132 -3.761 -7.240 1.00 0.00 O +ATOM 1629 CB ALA A 112 -1.589 -1.711 -7.621 1.00 0.00 C +ATOM 1630 H ALA A 112 -2.826 0.401 -6.892 1.00 0.00 H +ATOM 1631 HA ALA A 112 -3.525 -1.645 -8.487 1.00 0.00 H +ATOM 1632 HB1 ALA A 112 -1.141 -0.765 -7.353 1.00 0.00 H +ATOM 1633 HB2 ALA A 112 -1.223 -2.482 -6.959 1.00 0.00 H +ATOM 1634 HB3 ALA A 112 -1.329 -1.957 -8.639 1.00 0.00 H +ATOM 1635 N ALA A 113 -3.561 -2.666 -5.360 1.00 0.00 N +ATOM 1636 CA ALA A 113 -4.047 -3.714 -4.471 1.00 0.00 C +ATOM 1637 C ALA A 113 -5.540 -3.952 -4.668 1.00 0.00 C +ATOM 1638 O ALA A 113 -5.949 -4.980 -5.209 1.00 0.00 O +ATOM 1639 CB ALA A 113 -3.754 -3.354 -3.022 1.00 0.00 C +ATOM 1640 H ALA A 113 -3.163 -1.858 -4.974 1.00 0.00 H +ATOM 1641 HA ALA A 113 -3.513 -4.624 -4.705 1.00 0.00 H +ATOM 1642 HB1 ALA A 113 -4.593 -2.812 -2.610 1.00 0.00 H +ATOM 1643 HB2 ALA A 113 -3.595 -4.258 -2.452 1.00 0.00 H +ATOM 1644 HB3 ALA A 113 -2.869 -2.738 -2.976 1.00 0.00 H +ATOM 1645 N LEU A 114 -6.350 -2.997 -4.225 1.00 0.00 N +ATOM 1646 CA LEU A 114 -7.800 -3.103 -4.352 1.00 0.00 C +ATOM 1647 C LEU A 114 -8.195 -3.495 -5.772 1.00 0.00 C +ATOM 1648 O LEU A 114 -8.925 -4.463 -5.979 1.00 0.00 O +ATOM 1649 CB LEU A 114 -8.463 -1.778 -3.973 1.00 0.00 C +ATOM 1650 CG LEU A 114 -8.028 -1.166 -2.640 1.00 0.00 C +ATOM 1651 CD1 LEU A 114 -7.625 -2.256 -1.659 1.00 0.00 C +ATOM 1652 CD2 LEU A 114 -6.883 -0.186 -2.852 1.00 0.00 C +ATOM 1653 H LEU A 114 -5.966 -2.201 -3.802 1.00 0.00 H +ATOM 1654 HA LEU A 114 -8.136 -3.872 -3.672 1.00 0.00 H +ATOM 1655 HB2 LEU A 114 -8.243 -1.064 -4.751 1.00 0.00 H +ATOM 1656 HB3 LEU A 114 -9.530 -1.944 -3.929 1.00 0.00 H +ATOM 1657 HG LEU A 114 -8.859 -0.624 -2.212 1.00 0.00 H +ATOM 1658 HD11 LEU A 114 -6.592 -2.524 -1.824 1.00 0.00 H +ATOM 1659 HD12 LEU A 114 -8.250 -3.124 -1.808 1.00 0.00 H +ATOM 1660 HD13 LEU A 114 -7.747 -1.894 -0.649 1.00 0.00 H +ATOM 1661 HD21 LEU A 114 -7.222 0.815 -2.631 1.00 0.00 H +ATOM 1662 HD22 LEU A 114 -6.552 -0.236 -3.879 1.00 0.00 H +ATOM 1663 HD23 LEU A 114 -6.064 -0.442 -2.196 1.00 0.00 H +ATOM 1664 N ALA A 115 -7.705 -2.736 -6.747 1.00 0.00 N +ATOM 1665 CA ALA A 115 -8.003 -3.007 -8.148 1.00 0.00 C +ATOM 1666 C ALA A 115 -7.762 -4.474 -8.488 1.00 0.00 C +ATOM 1667 O ALA A 115 -8.698 -5.211 -8.797 1.00 0.00 O +ATOM 1668 CB ALA A 115 -7.166 -2.110 -9.048 1.00 0.00 C +ATOM 1669 H ALA A 115 -7.128 -1.978 -6.519 1.00 0.00 H +ATOM 1670 HA ALA A 115 -9.044 -2.774 -8.318 1.00 0.00 H +ATOM 1671 HB1 ALA A 115 -6.204 -2.572 -9.221 1.00 0.00 H +ATOM 1672 HB2 ALA A 115 -7.674 -1.972 -9.991 1.00 0.00 H +ATOM 1673 HB3 ALA A 115 -7.025 -1.152 -8.571 1.00 0.00 H +ATOM 1674 N ASP A 116 -6.502 -4.890 -8.428 1.00 0.00 N +ATOM 1675 CA ASP A 116 -6.138 -6.270 -8.729 1.00 0.00 C +ATOM 1676 C ASP A 116 -7.116 -7.244 -8.079 1.00 0.00 C +ATOM 1677 O ASP A 116 -7.579 -8.192 -8.714 1.00 0.00 O +ATOM 1678 CB ASP A 116 -4.715 -6.561 -8.251 1.00 0.00 C +ATOM 1679 CG ASP A 116 -4.359 -8.031 -8.353 1.00 0.00 C +ATOM 1680 OD1 ASP A 116 -4.981 -8.844 -7.637 1.00 0.00 O +ATOM 1681 OD2 ASP A 116 -3.458 -8.369 -9.149 1.00 0.00 O +ATOM 1682 H ASP A 116 -5.800 -4.255 -8.175 1.00 0.00 H +ATOM 1683 HA ASP A 116 -6.181 -6.398 -9.800 1.00 0.00 H +ATOM 1684 HB2 ASP A 116 -4.017 -5.998 -8.854 1.00 0.00 H +ATOM 1685 HB3 ASP A 116 -4.620 -6.256 -7.219 1.00 0.00 H +ATOM 1686 N TYR A 117 -7.424 -7.005 -6.809 1.00 0.00 N +ATOM 1687 CA TYR A 117 -8.344 -7.863 -6.072 1.00 0.00 C +ATOM 1688 C TYR A 117 -9.724 -7.868 -6.721 1.00 0.00 C +ATOM 1689 O TYR A 117 -10.373 -8.909 -6.822 1.00 0.00 O +ATOM 1690 CB TYR A 117 -8.454 -7.398 -4.618 1.00 0.00 C +ATOM 1691 CG TYR A 117 -9.794 -7.698 -3.986 1.00 0.00 C +ATOM 1692 CD1 TYR A 117 -10.032 -8.916 -3.361 1.00 0.00 C +ATOM 1693 CD2 TYR A 117 -10.822 -6.764 -4.013 1.00 0.00 C +ATOM 1694 CE1 TYR A 117 -11.255 -9.195 -2.783 1.00 0.00 C +ATOM 1695 CE2 TYR A 117 -12.048 -7.033 -3.436 1.00 0.00 C +ATOM 1696 CZ TYR A 117 -12.260 -8.250 -2.823 1.00 0.00 C +ATOM 1697 OH TYR A 117 -13.479 -8.524 -2.246 1.00 0.00 O +ATOM 1698 H TYR A 117 -7.023 -6.234 -6.357 1.00 0.00 H +ATOM 1699 HA TYR A 117 -7.947 -8.867 -6.089 1.00 0.00 H +ATOM 1700 HB2 TYR A 117 -7.693 -7.890 -4.032 1.00 0.00 H +ATOM 1701 HB3 TYR A 117 -8.299 -6.330 -4.577 1.00 0.00 H +ATOM 1702 HD1 TYR A 117 -9.243 -9.654 -3.332 1.00 0.00 H +ATOM 1703 HD2 TYR A 117 -10.653 -5.811 -4.494 1.00 0.00 H +ATOM 1704 HE1 TYR A 117 -11.421 -10.148 -2.302 1.00 0.00 H +ATOM 1705 HE2 TYR A 117 -12.835 -6.294 -3.467 1.00 0.00 H +ATOM 1706 HH TYR A 117 -14.133 -7.899 -2.570 1.00 0.00 H +ATOM 1707 N LYS A 118 -10.168 -6.695 -7.162 1.00 0.00 N +ATOM 1708 CA LYS A 118 -11.470 -6.561 -7.804 1.00 0.00 C +ATOM 1709 C LYS A 118 -11.502 -7.314 -9.131 1.00 0.00 C +ATOM 1710 O LYS A 118 -12.471 -8.008 -9.439 1.00 0.00 O +ATOM 1711 CB LYS A 118 -11.798 -5.085 -8.035 1.00 0.00 C +ATOM 1712 CG LYS A 118 -12.107 -4.323 -6.758 1.00 0.00 C +ATOM 1713 CD LYS A 118 -11.811 -2.840 -6.907 1.00 0.00 C +ATOM 1714 CE LYS A 118 -11.631 -2.169 -5.553 1.00 0.00 C +ATOM 1715 NZ LYS A 118 -12.923 -1.667 -5.008 1.00 0.00 N +ATOM 1716 H LYS A 118 -9.605 -5.900 -7.053 1.00 0.00 H +ATOM 1717 HA LYS A 118 -12.211 -6.987 -7.145 1.00 0.00 H +ATOM 1718 HB2 LYS A 118 -10.955 -4.612 -8.516 1.00 0.00 H +ATOM 1719 HB3 LYS A 118 -12.658 -5.017 -8.686 1.00 0.00 H +ATOM 1720 HG2 LYS A 118 -13.153 -4.448 -6.519 1.00 0.00 H +ATOM 1721 HG3 LYS A 118 -11.503 -4.723 -5.956 1.00 0.00 H +ATOM 1722 HD2 LYS A 118 -10.903 -2.719 -7.479 1.00 0.00 H +ATOM 1723 HD3 LYS A 118 -12.632 -2.368 -7.427 1.00 0.00 H +ATOM 1724 HE2 LYS A 118 -11.213 -2.886 -4.863 1.00 0.00 H +ATOM 1725 HE3 LYS A 118 -10.950 -1.339 -5.666 1.00 0.00 H +ATOM 1726 HZ1 LYS A 118 -13.453 -1.167 -5.750 1.00 0.00 H +ATOM 1727 HZ2 LYS A 118 -12.747 -1.010 -4.221 1.00 0.00 H +ATOM 1728 HZ3 LYS A 118 -13.497 -2.461 -4.661 1.00 0.00 H +ATOM 1729 N LEU A 119 -10.437 -7.172 -9.912 1.00 0.00 N +ATOM 1730 CA LEU A 119 -10.342 -7.840 -11.205 1.00 0.00 C +ATOM 1731 C LEU A 119 -10.735 -9.309 -11.089 1.00 0.00 C +ATOM 1732 O LEU A 119 -11.447 -9.842 -11.941 1.00 0.00 O +ATOM 1733 CB LEU A 119 -8.921 -7.723 -11.759 1.00 0.00 C +ATOM 1734 CG LEU A 119 -8.314 -6.319 -11.756 1.00 0.00 C +ATOM 1735 CD1 LEU A 119 -7.033 -6.290 -12.577 1.00 0.00 C +ATOM 1736 CD2 LEU A 119 -9.314 -5.304 -12.289 1.00 0.00 C +ATOM 1737 H LEU A 119 -9.696 -6.606 -9.612 1.00 0.00 H +ATOM 1738 HA LEU A 119 -11.026 -7.350 -11.882 1.00 0.00 H +ATOM 1739 HB2 LEU A 119 -8.282 -8.361 -11.169 1.00 0.00 H +ATOM 1740 HB3 LEU A 119 -8.935 -8.076 -12.781 1.00 0.00 H +ATOM 1741 HG LEU A 119 -8.065 -6.044 -10.740 1.00 0.00 H +ATOM 1742 HD11 LEU A 119 -6.288 -5.705 -12.060 1.00 0.00 H +ATOM 1743 HD12 LEU A 119 -7.234 -5.848 -13.541 1.00 0.00 H +ATOM 1744 HD13 LEU A 119 -6.670 -7.298 -12.712 1.00 0.00 H +ATOM 1745 HD21 LEU A 119 -8.995 -4.308 -12.017 1.00 0.00 H +ATOM 1746 HD22 LEU A 119 -10.287 -5.499 -11.862 1.00 0.00 H +ATOM 1747 HD23 LEU A 119 -9.369 -5.383 -13.364 1.00 0.00 H +ATOM 1748 N LYS A 120 -10.268 -9.960 -10.029 1.00 0.00 N +ATOM 1749 CA LYS A 120 -10.573 -11.367 -9.798 1.00 0.00 C +ATOM 1750 C LYS A 120 -12.046 -11.555 -9.452 1.00 0.00 C +ATOM 1751 O LYS A 120 -12.638 -12.588 -9.762 1.00 0.00 O +ATOM 1752 CB LYS A 120 -9.699 -11.921 -8.670 1.00 0.00 C +ATOM 1753 CG LYS A 120 -8.292 -11.347 -8.653 1.00 0.00 C +ATOM 1754 CD LYS A 120 -7.289 -12.346 -8.100 1.00 0.00 C +ATOM 1755 CE LYS A 120 -6.778 -13.281 -9.186 1.00 0.00 C +ATOM 1756 NZ LYS A 120 -5.876 -14.330 -8.634 1.00 0.00 N +ATOM 1757 H LYS A 120 -9.705 -9.480 -9.384 1.00 0.00 H +ATOM 1758 HA LYS A 120 -10.357 -11.906 -10.708 1.00 0.00 H +ATOM 1759 HB2 LYS A 120 -10.168 -11.696 -7.724 1.00 0.00 H +ATOM 1760 HB3 LYS A 120 -9.626 -12.993 -8.781 1.00 0.00 H +ATOM 1761 HG2 LYS A 120 -8.007 -11.087 -9.662 1.00 0.00 H +ATOM 1762 HG3 LYS A 120 -8.283 -10.461 -8.034 1.00 0.00 H +ATOM 1763 HD2 LYS A 120 -6.452 -11.808 -7.681 1.00 0.00 H +ATOM 1764 HD3 LYS A 120 -7.767 -12.932 -7.328 1.00 0.00 H +ATOM 1765 HE2 LYS A 120 -7.622 -13.757 -9.660 1.00 0.00 H +ATOM 1766 HE3 LYS A 120 -6.236 -12.699 -9.917 1.00 0.00 H +ATOM 1767 HZ1 LYS A 120 -5.104 -14.524 -9.304 1.00 0.00 H +ATOM 1768 HZ2 LYS A 120 -6.408 -15.208 -8.471 1.00 0.00 H +ATOM 1769 HZ3 LYS A 120 -5.467 -14.012 -7.733 1.00 0.00 H +ATOM 1770 N GLN A 121 -12.632 -10.549 -8.811 1.00 0.00 N +ATOM 1771 CA GLN A 121 -14.037 -10.605 -8.425 1.00 0.00 C +ATOM 1772 C GLN A 121 -14.943 -10.464 -9.644 1.00 0.00 C +ATOM 1773 O GLN A 121 -16.037 -11.025 -9.683 1.00 0.00 O +ATOM 1774 CB GLN A 121 -14.353 -9.505 -7.410 1.00 0.00 C +ATOM 1775 CG GLN A 121 -13.524 -9.593 -6.139 1.00 0.00 C +ATOM 1776 CD GLN A 121 -13.649 -10.940 -5.453 1.00 0.00 C +ATOM 1777 OE1 GLN A 121 -14.730 -11.326 -5.009 1.00 0.00 O +ATOM 1778 NE2 GLN A 121 -12.539 -11.664 -5.363 1.00 0.00 N +ATOM 1779 H GLN A 121 -12.107 -9.752 -8.592 1.00 0.00 H +ATOM 1780 HA GLN A 121 -14.217 -11.566 -7.967 1.00 0.00 H +ATOM 1781 HB2 GLN A 121 -14.169 -8.545 -7.868 1.00 0.00 H +ATOM 1782 HB3 GLN A 121 -15.396 -9.571 -7.138 1.00 0.00 H +ATOM 1783 HG2 GLN A 121 -12.486 -9.429 -6.388 1.00 0.00 H +ATOM 1784 HG3 GLN A 121 -13.854 -8.826 -5.455 1.00 0.00 H +ATOM 1785 HE21 GLN A 121 -11.713 -11.292 -5.739 1.00 0.00 H +ATOM 1786 HE22 GLN A 121 -12.590 -12.537 -4.925 1.00 0.00 H +ATOM 1787 N GLU A 122 -14.478 -9.711 -10.636 1.00 0.00 N +ATOM 1788 CA GLU A 122 -15.248 -9.496 -11.855 1.00 0.00 C +ATOM 1789 C GLU A 122 -14.939 -10.573 -12.891 1.00 0.00 C +ATOM 1790 O GLU A 122 -15.789 -10.926 -13.708 1.00 0.00 O +ATOM 1791 CB GLU A 122 -14.949 -8.112 -12.437 1.00 0.00 C +ATOM 1792 CG GLU A 122 -13.600 -8.022 -13.130 1.00 0.00 C +ATOM 1793 CD GLU A 122 -13.446 -6.753 -13.945 1.00 0.00 C +ATOM 1794 OE1 GLU A 122 -14.328 -6.478 -14.785 1.00 0.00 O +ATOM 1795 OE2 GLU A 122 -12.444 -6.035 -13.743 1.00 0.00 O +ATOM 1796 H GLU A 122 -13.598 -9.289 -10.545 1.00 0.00 H +ATOM 1797 HA GLU A 122 -16.296 -9.549 -11.600 1.00 0.00 H +ATOM 1798 HB2 GLU A 122 -15.717 -7.862 -13.154 1.00 0.00 H +ATOM 1799 HB3 GLU A 122 -14.967 -7.387 -11.636 1.00 0.00 H +ATOM 1800 HG2 GLU A 122 -12.822 -8.047 -12.381 1.00 0.00 H +ATOM 1801 HG3 GLU A 122 -13.491 -8.871 -13.789 1.00 0.00 H +ATOM 1802 N SER A 123 -13.715 -11.090 -12.851 1.00 0.00 N +ATOM 1803 CA SER A 123 -13.291 -12.123 -13.788 1.00 0.00 C +ATOM 1804 C SER A 123 -12.556 -13.246 -13.062 1.00 0.00 C +ATOM 1805 O SER A 123 -11.365 -13.138 -12.769 1.00 0.00 O +ATOM 1806 CB SER A 123 -12.388 -11.523 -14.868 1.00 0.00 C +ATOM 1807 OG SER A 123 -11.074 -11.317 -14.378 1.00 0.00 O +ATOM 1808 H SER A 123 -13.082 -10.766 -12.176 1.00 0.00 H +ATOM 1809 HA SER A 123 -14.175 -12.530 -14.255 1.00 0.00 H +ATOM 1810 HB2 SER A 123 -12.344 -12.195 -15.711 1.00 0.00 H +ATOM 1811 HB3 SER A 123 -12.794 -10.573 -15.185 1.00 0.00 H +ATOM 1812 HG SER A 123 -11.061 -11.457 -13.428 1.00 0.00 H +ATOM 1813 N LYS A 124 -13.275 -14.326 -12.775 1.00 0.00 N +ATOM 1814 CA LYS A 124 -12.695 -15.471 -12.085 1.00 0.00 C +ATOM 1815 C LYS A 124 -11.575 -16.095 -12.912 1.00 0.00 C +ATOM 1816 O LYS A 124 -10.503 -16.403 -12.391 1.00 0.00 O +ATOM 1817 CB LYS A 124 -13.772 -16.518 -11.795 1.00 0.00 C +ATOM 1818 CG LYS A 124 -14.510 -16.992 -13.036 1.00 0.00 C +ATOM 1819 CD LYS A 124 -15.861 -17.593 -12.686 1.00 0.00 C +ATOM 1820 CE LYS A 124 -15.754 -19.087 -12.422 1.00 0.00 C +ATOM 1821 NZ LYS A 124 -17.089 -19.706 -12.189 1.00 0.00 N +ATOM 1822 H LYS A 124 -14.221 -14.353 -13.035 1.00 0.00 H +ATOM 1823 HA LYS A 124 -12.284 -15.122 -11.150 1.00 0.00 H +ATOM 1824 HB2 LYS A 124 -13.309 -17.375 -11.328 1.00 0.00 H +ATOM 1825 HB3 LYS A 124 -14.495 -16.094 -11.112 1.00 0.00 H +ATOM 1826 HG2 LYS A 124 -14.662 -16.151 -13.696 1.00 0.00 H +ATOM 1827 HG3 LYS A 124 -13.911 -17.740 -13.535 1.00 0.00 H +ATOM 1828 HD2 LYS A 124 -16.242 -17.109 -11.800 1.00 0.00 H +ATOM 1829 HD3 LYS A 124 -16.542 -17.429 -13.509 1.00 0.00 H +ATOM 1830 HE2 LYS A 124 -15.292 -19.558 -13.276 1.00 0.00 H +ATOM 1831 HE3 LYS A 124 -15.138 -19.242 -11.548 1.00 0.00 H +ATOM 1832 HZ1 LYS A 124 -17.716 -19.031 -11.706 1.00 0.00 H +ATOM 1833 HZ2 LYS A 124 -16.991 -20.555 -11.598 1.00 0.00 H +ATOM 1834 HZ3 LYS A 124 -17.521 -19.975 -13.096 1.00 0.00 H +ATOM 1835 N SER A 125 -11.830 -16.276 -14.204 1.00 0.00 N +ATOM 1836 CA SER A 125 -10.844 -16.864 -15.102 1.00 0.00 C +ATOM 1837 C SER A 125 -10.656 -15.999 -16.344 1.00 0.00 C +ATOM 1838 O SER A 125 -11.593 -15.356 -16.815 1.00 0.00 O +ATOM 1839 CB SER A 125 -11.272 -18.275 -15.510 1.00 0.00 C +ATOM 1840 OG SER A 125 -10.520 -18.736 -16.619 1.00 0.00 O +ATOM 1841 H SER A 125 -12.703 -16.010 -14.560 1.00 0.00 H +ATOM 1842 HA SER A 125 -9.905 -16.922 -14.572 1.00 0.00 H +ATOM 1843 HB2 SER A 125 -11.118 -18.949 -14.681 1.00 0.00 H +ATOM 1844 HB3 SER A 125 -12.319 -18.267 -15.778 1.00 0.00 H +ATOM 1845 HG SER A 125 -9.716 -19.158 -16.308 1.00 0.00 H +ATOM 1846 N GLY A 126 -9.435 -15.988 -16.871 1.00 0.00 N +ATOM 1847 CA GLY A 126 -9.144 -15.198 -18.054 1.00 0.00 C +ATOM 1848 C GLY A 126 -7.997 -15.768 -18.864 1.00 0.00 C +ATOM 1849 O GLY A 126 -7.373 -16.759 -18.484 1.00 0.00 O +ATOM 1850 H GLY A 126 -8.726 -16.520 -16.453 1.00 0.00 H +ATOM 1851 HA2 GLY A 126 -10.027 -15.161 -18.674 1.00 0.00 H +ATOM 1852 HA3 GLY A 126 -8.889 -14.194 -17.748 1.00 0.00 H +ATOM 1853 N PRO A 127 -7.706 -15.136 -20.010 1.00 0.00 N +ATOM 1854 CA PRO A 127 -6.625 -15.570 -20.901 1.00 0.00 C +ATOM 1855 C PRO A 127 -5.245 -15.324 -20.301 1.00 0.00 C +ATOM 1856 O PRO A 127 -4.243 -15.846 -20.789 1.00 0.00 O +ATOM 1857 CB PRO A 127 -6.827 -14.707 -22.149 1.00 0.00 C +ATOM 1858 CG PRO A 127 -7.533 -13.490 -21.659 1.00 0.00 C +ATOM 1859 CD PRO A 127 -8.408 -13.949 -20.525 1.00 0.00 C +ATOM 1860 HA PRO A 127 -6.722 -16.613 -21.163 1.00 0.00 H +ATOM 1861 HB2 PRO A 127 -5.866 -14.460 -22.579 1.00 0.00 H +ATOM 1862 HB3 PRO A 127 -7.422 -15.245 -22.871 1.00 0.00 H +ATOM 1863 HG2 PRO A 127 -6.815 -12.765 -21.309 1.00 0.00 H +ATOM 1864 HG3 PRO A 127 -8.136 -13.072 -22.452 1.00 0.00 H +ATOM 1865 HD2 PRO A 127 -8.477 -13.182 -19.768 1.00 0.00 H +ATOM 1866 HD3 PRO A 127 -9.391 -14.211 -20.889 1.00 0.00 H +ATOM 1867 N SER A 128 -5.201 -14.526 -19.239 1.00 0.00 N +ATOM 1868 CA SER A 128 -3.942 -14.209 -18.573 1.00 0.00 C +ATOM 1869 C SER A 128 -3.840 -14.929 -17.232 1.00 0.00 C +ATOM 1870 O SER A 128 -4.812 -15.007 -16.481 1.00 0.00 O +ATOM 1871 CB SER A 128 -3.818 -12.698 -18.364 1.00 0.00 C +ATOM 1872 OG SER A 128 -2.469 -12.322 -18.148 1.00 0.00 O +ATOM 1873 H SER A 128 -6.034 -14.140 -18.896 1.00 0.00 H +ATOM 1874 HA SER A 128 -3.137 -14.542 -19.211 1.00 0.00 H +ATOM 1875 HB2 SER A 128 -4.187 -12.185 -19.240 1.00 0.00 H +ATOM 1876 HB3 SER A 128 -4.403 -12.407 -17.504 1.00 0.00 H +ATOM 1877 HG SER A 128 -1.983 -13.067 -17.787 1.00 0.00 H +ATOM 1878 N SER A 129 -2.655 -15.455 -16.940 1.00 0.00 N +ATOM 1879 CA SER A 129 -2.424 -16.173 -15.691 1.00 0.00 C +ATOM 1880 C SER A 129 -1.489 -15.387 -14.777 1.00 0.00 C +ATOM 1881 O SER A 129 -1.809 -15.127 -13.618 1.00 0.00 O +ATOM 1882 CB SER A 129 -1.836 -17.556 -15.975 1.00 0.00 C +ATOM 1883 OG SER A 129 -2.814 -18.425 -16.518 1.00 0.00 O +ATOM 1884 H SER A 129 -1.918 -15.360 -17.580 1.00 0.00 H +ATOM 1885 HA SER A 129 -3.377 -16.291 -15.196 1.00 0.00 H +ATOM 1886 HB2 SER A 129 -1.024 -17.461 -16.681 1.00 0.00 H +ATOM 1887 HB3 SER A 129 -1.464 -17.982 -15.054 1.00 0.00 H +ATOM 1888 HG SER A 129 -2.955 -18.211 -17.443 1.00 0.00 H +ATOM 1889 N GLY A 130 -0.330 -15.011 -15.309 1.00 0.00 N +ATOM 1890 CA GLY A 130 0.635 -14.259 -14.529 1.00 0.00 C +ATOM 1891 C GLY A 130 0.716 -14.735 -13.092 1.00 0.00 C +ATOM 1892 O GLY A 130 1.475 -15.661 -12.809 1.00 0.00 O +ATOM 1893 H GLY A 130 -0.128 -15.247 -16.239 1.00 0.00 H +ATOM 1894 HA2 GLY A 130 1.608 -14.360 -14.986 1.00 0.00 H +ATOM 1895 HA3 GLY A 130 0.352 -13.217 -14.535 1.00 0.00 H +TER 1896 GLY A 130 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_FS_IscU_1WFZA_2KQKA/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_IscU_1WFZA_2KQKA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..00a6b10084bed4048d1d2d0dfc9d0acb822436b4 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_IscU_1WFZA_2KQKA/state_b.pdb @@ -0,0 +1,1924 @@ +MODEL 1 +ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N +ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 0.00 C +ATOM 3 C MET A 1 1.764 -1.231 -2.082 1.00 0.00 C +ATOM 4 O MET A 1 2.258 -2.326 -1.816 1.00 0.00 O +ATOM 5 CB MET A 1 3.593 0.041 -0.944 1.00 0.00 C +ATOM 6 CG MET A 1 4.280 1.295 -1.459 1.00 0.00 C +ATOM 7 SD MET A 1 4.377 2.596 -0.214 1.00 0.00 S +ATOM 8 CE MET A 1 4.562 4.044 -1.251 1.00 0.00 C +ATOM 9 H1 MET A 1 1.808 0.000 0.855 1.00 0.00 H +ATOM 10 HA MET A 1 1.821 0.884 -1.799 1.00 0.00 H +ATOM 11 HB2 MET A 1 3.736 -0.009 0.125 1.00 0.00 H +ATOM 12 HB3 MET A 1 4.064 -0.815 -1.403 1.00 0.00 H +ATOM 13 HG2 MET A 1 5.282 1.039 -1.769 1.00 0.00 H +ATOM 14 HG3 MET A 1 3.727 1.669 -2.308 1.00 0.00 H +ATOM 15 HE1 MET A 1 5.045 3.766 -2.176 1.00 0.00 H +ATOM 16 HE2 MET A 1 3.589 4.461 -1.464 1.00 0.00 H +ATOM 17 HE3 MET A 1 5.165 4.779 -0.737 1.00 0.00 H +ATOM 18 N ALA A 2 0.926 -1.043 -3.097 1.00 0.00 N +ATOM 19 CA ALA A 2 0.533 -2.137 -3.976 1.00 0.00 C +ATOM 20 C ALA A 2 1.369 -2.144 -5.251 1.00 0.00 C +ATOM 21 O ALA A 2 2.260 -1.312 -5.426 1.00 0.00 O +ATOM 22 CB ALA A 2 -0.947 -2.037 -4.314 1.00 0.00 C +ATOM 23 H ALA A 2 0.566 -0.146 -3.258 1.00 0.00 H +ATOM 24 HA ALA A 2 0.694 -3.065 -3.446 1.00 0.00 H +ATOM 25 HB1 ALA A 2 -1.084 -1.329 -5.119 1.00 0.00 H +ATOM 26 HB2 ALA A 2 -1.313 -3.006 -4.619 1.00 0.00 H +ATOM 27 HB3 ALA A 2 -1.492 -1.702 -3.444 1.00 0.00 H +ATOM 28 N TYR A 3 1.078 -3.088 -6.138 1.00 0.00 N +ATOM 29 CA TYR A 3 1.806 -3.205 -7.396 1.00 0.00 C +ATOM 30 C TYR A 3 1.778 -1.889 -8.166 1.00 0.00 C +ATOM 31 O TYR A 3 2.769 -1.496 -8.783 1.00 0.00 O +ATOM 32 CB TYR A 3 1.208 -4.323 -8.253 1.00 0.00 C +ATOM 33 CG TYR A 3 2.200 -4.953 -9.204 1.00 0.00 C +ATOM 34 CD1 TYR A 3 3.120 -5.894 -8.757 1.00 0.00 C +ATOM 35 CD2 TYR A 3 2.218 -4.609 -10.550 1.00 0.00 C +ATOM 36 CE1 TYR A 3 4.029 -6.472 -9.622 1.00 0.00 C +ATOM 37 CE2 TYR A 3 3.122 -5.183 -11.423 1.00 0.00 C +ATOM 38 CZ TYR A 3 4.026 -6.113 -10.954 1.00 0.00 C +ATOM 39 OH TYR A 3 4.928 -6.688 -11.819 1.00 0.00 O +ATOM 40 H TYR A 3 0.358 -3.723 -5.942 1.00 0.00 H +ATOM 41 HA TYR A 3 2.832 -3.453 -7.165 1.00 0.00 H +ATOM 42 HB2 TYR A 3 0.830 -5.100 -7.607 1.00 0.00 H +ATOM 43 HB3 TYR A 3 0.395 -3.921 -8.840 1.00 0.00 H +ATOM 44 HD1 TYR A 3 3.119 -6.173 -7.713 1.00 0.00 H +ATOM 45 HD2 TYR A 3 1.509 -3.879 -10.914 1.00 0.00 H +ATOM 46 HE1 TYR A 3 4.736 -7.202 -9.255 1.00 0.00 H +ATOM 47 HE2 TYR A 3 3.121 -4.902 -12.466 1.00 0.00 H +ATOM 48 HH TYR A 3 5.566 -7.204 -11.320 1.00 0.00 H +ATOM 49 N SER A 4 0.636 -1.211 -8.125 1.00 0.00 N +ATOM 50 CA SER A 4 0.476 0.061 -8.821 1.00 0.00 C +ATOM 51 C SER A 4 0.850 -0.075 -10.294 1.00 0.00 C +ATOM 52 O SER A 4 1.999 0.147 -10.676 1.00 0.00 O +ATOM 53 CB SER A 4 1.339 1.139 -8.162 1.00 0.00 C +ATOM 54 OG SER A 4 0.914 1.390 -6.833 1.00 0.00 O +ATOM 55 H SER A 4 -0.118 -1.576 -7.617 1.00 0.00 H +ATOM 56 HA SER A 4 -0.562 0.349 -8.751 1.00 0.00 H +ATOM 57 HB2 SER A 4 2.367 0.812 -8.142 1.00 0.00 H +ATOM 58 HB3 SER A 4 1.263 2.054 -8.731 1.00 0.00 H +ATOM 59 HG SER A 4 1.462 0.892 -6.222 1.00 0.00 H +ATOM 60 N GLU A 5 -0.129 -0.442 -11.115 1.00 0.00 N +ATOM 61 CA GLU A 5 0.098 -0.608 -12.546 1.00 0.00 C +ATOM 62 C GLU A 5 0.240 0.745 -13.236 1.00 0.00 C +ATOM 63 O GLU A 5 -0.720 1.272 -13.799 1.00 0.00 O +ATOM 64 CB GLU A 5 -1.051 -1.397 -13.178 1.00 0.00 C +ATOM 65 CG GLU A 5 -1.395 -2.675 -12.432 1.00 0.00 C +ATOM 66 CD GLU A 5 -2.513 -3.455 -13.096 1.00 0.00 C +ATOM 67 OE1 GLU A 5 -2.241 -4.147 -14.099 1.00 0.00 O +ATOM 68 OE2 GLU A 5 -3.662 -3.373 -12.611 1.00 0.00 O +ATOM 69 H GLU A 5 -1.024 -0.604 -10.751 1.00 0.00 H +ATOM 70 HA GLU A 5 1.015 -1.162 -12.675 1.00 0.00 H +ATOM 71 HB2 GLU A 5 -1.931 -0.771 -13.203 1.00 0.00 H +ATOM 72 HB3 GLU A 5 -0.778 -1.658 -14.190 1.00 0.00 H +ATOM 73 HG2 GLU A 5 -0.516 -3.301 -12.391 1.00 0.00 H +ATOM 74 HG3 GLU A 5 -1.701 -2.420 -11.428 1.00 0.00 H +ATOM 75 N LYS A 6 1.444 1.304 -13.187 1.00 0.00 N +ATOM 76 CA LYS A 6 1.715 2.596 -13.807 1.00 0.00 C +ATOM 77 C LYS A 6 3.195 2.950 -13.702 1.00 0.00 C +ATOM 78 O LYS A 6 3.551 4.074 -13.348 1.00 0.00 O +ATOM 79 CB LYS A 6 0.870 3.688 -13.147 1.00 0.00 C +ATOM 80 CG LYS A 6 0.918 3.660 -11.629 1.00 0.00 C +ATOM 81 CD LYS A 6 0.757 5.051 -11.040 1.00 0.00 C +ATOM 82 CE LYS A 6 -0.134 5.036 -9.808 1.00 0.00 C +ATOM 83 NZ LYS A 6 -1.414 5.761 -10.040 1.00 0.00 N +ATOM 84 H LYS A 6 2.170 0.835 -12.723 1.00 0.00 H +ATOM 85 HA LYS A 6 1.446 2.526 -14.850 1.00 0.00 H +ATOM 86 HB2 LYS A 6 1.226 4.652 -13.479 1.00 0.00 H +ATOM 87 HB3 LYS A 6 -0.158 3.567 -13.456 1.00 0.00 H +ATOM 88 HG2 LYS A 6 0.119 3.032 -11.264 1.00 0.00 H +ATOM 89 HG3 LYS A 6 1.869 3.254 -11.315 1.00 0.00 H +ATOM 90 HD2 LYS A 6 1.730 5.430 -10.762 1.00 0.00 H +ATOM 91 HD3 LYS A 6 0.317 5.699 -11.784 1.00 0.00 H +ATOM 92 HE2 LYS A 6 -0.353 4.011 -9.551 1.00 0.00 H +ATOM 93 HE3 LYS A 6 0.394 5.506 -8.992 1.00 0.00 H +ATOM 94 HZ1 LYS A 6 -1.331 6.372 -10.878 1.00 0.00 H +ATOM 95 HZ2 LYS A 6 -1.643 6.353 -9.216 1.00 0.00 H +ATOM 96 HZ3 LYS A 6 -2.187 5.083 -10.193 1.00 0.00 H +ATOM 97 N VAL A 7 4.053 1.984 -14.014 1.00 0.00 N +ATOM 98 CA VAL A 7 5.495 2.195 -13.958 1.00 0.00 C +ATOM 99 C VAL A 7 6.103 2.209 -15.356 1.00 0.00 C +ATOM 100 O VAL A 7 5.472 1.782 -16.323 1.00 0.00 O +ATOM 101 CB VAL A 7 6.189 1.107 -13.118 1.00 0.00 C +ATOM 102 CG1 VAL A 7 5.782 1.219 -11.657 1.00 0.00 C +ATOM 103 CG2 VAL A 7 5.865 -0.275 -13.666 1.00 0.00 C +ATOM 104 H VAL A 7 3.709 1.109 -14.290 1.00 0.00 H +ATOM 105 HA VAL A 7 5.675 3.151 -13.489 1.00 0.00 H +ATOM 106 HB VAL A 7 7.257 1.256 -13.184 1.00 0.00 H +ATOM 107 HG11 VAL A 7 4.732 0.988 -11.558 1.00 0.00 H +ATOM 108 HG12 VAL A 7 6.362 0.524 -11.067 1.00 0.00 H +ATOM 109 HG13 VAL A 7 5.963 2.225 -11.310 1.00 0.00 H +ATOM 110 HG21 VAL A 7 4.965 -0.645 -13.200 1.00 0.00 H +ATOM 111 HG22 VAL A 7 5.718 -0.214 -14.735 1.00 0.00 H +ATOM 112 HG23 VAL A 7 6.683 -0.948 -13.454 1.00 0.00 H +ATOM 113 N ILE A 8 7.334 2.701 -15.455 1.00 0.00 N +ATOM 114 CA ILE A 8 8.028 2.768 -16.735 1.00 0.00 C +ATOM 115 C ILE A 8 7.274 3.650 -17.724 1.00 0.00 C +ATOM 116 O ILE A 8 6.609 3.153 -18.634 1.00 0.00 O +ATOM 117 CB ILE A 8 8.213 1.368 -17.349 1.00 0.00 C +ATOM 118 CG1 ILE A 8 8.941 0.448 -16.368 1.00 0.00 C +ATOM 119 CG2 ILE A 8 8.977 1.463 -18.662 1.00 0.00 C +ATOM 120 CD1 ILE A 8 8.156 -0.792 -16.005 1.00 0.00 C +ATOM 121 H ILE A 8 7.785 3.026 -14.648 1.00 0.00 H +ATOM 122 HA ILE A 8 9.005 3.195 -16.561 1.00 0.00 H +ATOM 123 HB ILE A 8 7.236 0.959 -17.558 1.00 0.00 H +ATOM 124 HG12 ILE A 8 9.875 0.133 -16.805 1.00 0.00 H +ATOM 125 HG13 ILE A 8 9.142 0.993 -15.456 1.00 0.00 H +ATOM 126 HG21 ILE A 8 8.278 1.472 -19.485 1.00 0.00 H +ATOM 127 HG22 ILE A 8 9.558 2.372 -18.675 1.00 0.00 H +ATOM 128 HG23 ILE A 8 9.635 0.613 -18.758 1.00 0.00 H +ATOM 129 HD11 ILE A 8 7.165 -0.729 -16.431 1.00 0.00 H +ATOM 130 HD12 ILE A 8 8.660 -1.665 -16.392 1.00 0.00 H +ATOM 131 HD13 ILE A 8 8.079 -0.868 -14.930 1.00 0.00 H +ATOM 132 N ASP A 9 7.382 4.961 -17.541 1.00 0.00 N +ATOM 133 CA ASP A 9 6.712 5.914 -18.419 1.00 0.00 C +ATOM 134 C ASP A 9 7.715 6.600 -19.342 1.00 0.00 C +ATOM 135 O ASP A 9 8.889 6.747 -19.000 1.00 0.00 O +ATOM 136 CB ASP A 9 5.961 6.960 -17.594 1.00 0.00 C +ATOM 137 CG ASP A 9 6.883 7.758 -16.694 1.00 0.00 C +ATOM 138 OD1 ASP A 9 7.252 7.244 -15.617 1.00 0.00 O +ATOM 139 OD2 ASP A 9 7.235 8.898 -17.065 1.00 0.00 O +ATOM 140 H ASP A 9 7.926 5.297 -16.798 1.00 0.00 H +ATOM 141 HA ASP A 9 6.003 5.367 -19.022 1.00 0.00 H +ATOM 142 HB2 ASP A 9 5.460 7.644 -18.263 1.00 0.00 H +ATOM 143 HB3 ASP A 9 5.226 6.463 -16.978 1.00 0.00 H +ATOM 144 N HIS A 10 7.244 7.017 -20.513 1.00 0.00 N +ATOM 145 CA HIS A 10 8.100 7.688 -21.485 1.00 0.00 C +ATOM 146 C HIS A 10 7.275 8.568 -22.419 1.00 0.00 C +ATOM 147 O HIS A 10 6.284 8.120 -22.997 1.00 0.00 O +ATOM 148 CB HIS A 10 8.887 6.660 -22.298 1.00 0.00 C +ATOM 149 CG HIS A 10 8.030 5.594 -22.907 1.00 0.00 C +ATOM 150 ND1 HIS A 10 7.508 4.542 -22.183 1.00 0.00 N +ATOM 151 CD2 HIS A 10 7.601 5.421 -24.180 1.00 0.00 C +ATOM 152 CE1 HIS A 10 6.797 3.769 -22.984 1.00 0.00 C +ATOM 153 NE2 HIS A 10 6.838 4.280 -24.201 1.00 0.00 N +ATOM 154 H HIS A 10 6.300 6.872 -20.727 1.00 0.00 H +ATOM 155 HA HIS A 10 8.793 8.312 -20.942 1.00 0.00 H +ATOM 156 HB2 HIS A 10 9.407 7.165 -23.099 1.00 0.00 H +ATOM 157 HB3 HIS A 10 9.609 6.178 -21.654 1.00 0.00 H +ATOM 158 HD1 HIS A 10 7.640 4.386 -21.225 1.00 0.00 H +ATOM 159 HD2 HIS A 10 7.820 6.062 -25.023 1.00 0.00 H +ATOM 160 HE1 HIS A 10 6.272 2.871 -22.695 1.00 0.00 H +ATOM 161 N TYR A 11 7.689 9.822 -22.562 1.00 0.00 N +ATOM 162 CA TYR A 11 6.986 10.766 -23.424 1.00 0.00 C +ATOM 163 C TYR A 11 7.670 10.876 -24.783 1.00 0.00 C +ATOM 164 O TYR A 11 8.434 11.808 -25.030 1.00 0.00 O +ATOM 165 CB TYR A 11 6.920 12.142 -22.760 1.00 0.00 C +ATOM 166 CG TYR A 11 5.692 12.342 -21.901 1.00 0.00 C +ATOM 167 CD1 TYR A 11 5.625 11.815 -20.617 1.00 0.00 C +ATOM 168 CD2 TYR A 11 4.599 13.059 -22.373 1.00 0.00 C +ATOM 169 CE1 TYR A 11 4.504 11.995 -19.829 1.00 0.00 C +ATOM 170 CE2 TYR A 11 3.475 13.244 -21.592 1.00 0.00 C +ATOM 171 CZ TYR A 11 3.432 12.710 -20.321 1.00 0.00 C +ATOM 172 OH TYR A 11 2.315 12.892 -19.539 1.00 0.00 O +ATOM 173 H TYR A 11 8.486 10.121 -22.076 1.00 0.00 H +ATOM 174 HA TYR A 11 5.981 10.398 -23.568 1.00 0.00 H +ATOM 175 HB2 TYR A 11 7.788 12.274 -22.132 1.00 0.00 H +ATOM 176 HB3 TYR A 11 6.917 12.904 -23.526 1.00 0.00 H +ATOM 177 HD1 TYR A 11 6.466 11.256 -20.235 1.00 0.00 H +ATOM 178 HD2 TYR A 11 4.636 13.476 -23.369 1.00 0.00 H +ATOM 179 HE1 TYR A 11 4.470 11.577 -18.834 1.00 0.00 H +ATOM 180 HE2 TYR A 11 2.635 13.804 -21.977 1.00 0.00 H +ATOM 181 HH TYR A 11 1.532 12.638 -20.035 1.00 0.00 H +ATOM 182 N GLU A 12 7.388 9.918 -25.660 1.00 0.00 N +ATOM 183 CA GLU A 12 7.976 9.907 -26.994 1.00 0.00 C +ATOM 184 C GLU A 12 9.495 9.773 -26.919 1.00 0.00 C +ATOM 185 O GLU A 12 10.214 10.239 -27.801 1.00 0.00 O +ATOM 186 CB GLU A 12 7.603 11.184 -27.750 1.00 0.00 C +ATOM 187 CG GLU A 12 7.571 11.010 -29.259 1.00 0.00 C +ATOM 188 CD GLU A 12 7.997 12.263 -30.000 1.00 0.00 C +ATOM 189 OE1 GLU A 12 7.859 13.365 -29.430 1.00 0.00 O +ATOM 190 OE2 GLU A 12 8.467 12.140 -31.150 1.00 0.00 O +ATOM 191 H GLU A 12 6.771 9.201 -25.403 1.00 0.00 H +ATOM 192 HA GLU A 12 7.578 9.056 -27.525 1.00 0.00 H +ATOM 193 HB2 GLU A 12 6.625 11.508 -27.425 1.00 0.00 H +ATOM 194 HB3 GLU A 12 8.324 11.952 -27.513 1.00 0.00 H +ATOM 195 HG2 GLU A 12 8.239 10.206 -29.530 1.00 0.00 H +ATOM 196 HG3 GLU A 12 6.565 10.756 -29.559 1.00 0.00 H +ATOM 197 N ASN A 13 9.974 9.133 -25.857 1.00 0.00 N +ATOM 198 CA ASN A 13 11.407 8.939 -25.665 1.00 0.00 C +ATOM 199 C ASN A 13 12.129 10.279 -25.565 1.00 0.00 C +ATOM 200 O ASN A 13 12.857 10.689 -26.469 1.00 0.00 O +ATOM 201 CB ASN A 13 11.990 8.117 -26.816 1.00 0.00 C +ATOM 202 CG ASN A 13 11.234 6.822 -27.042 1.00 0.00 C +ATOM 203 OD1 ASN A 13 11.435 5.840 -26.327 1.00 0.00 O +ATOM 204 ND2 ASN A 13 10.360 6.814 -28.041 1.00 0.00 N +ATOM 205 H ASN A 13 9.351 8.784 -25.186 1.00 0.00 H +ATOM 206 HA ASN A 13 11.547 8.398 -24.741 1.00 0.00 H +ATOM 207 HB2 ASN A 13 11.946 8.700 -27.724 1.00 0.00 H +ATOM 208 HB3 ASN A 13 13.019 7.878 -26.595 1.00 0.00 H +ATOM 209 HD21 ASN A 13 10.252 7.632 -28.569 1.00 0.00 H +ATOM 210 HD22 ASN A 13 9.857 5.989 -28.209 1.00 0.00 H +ATOM 211 N PRO A 14 11.926 10.978 -24.438 1.00 0.00 N +ATOM 212 CA PRO A 14 12.550 12.282 -24.192 1.00 0.00 C +ATOM 213 C PRO A 14 14.054 12.171 -23.968 1.00 0.00 C +ATOM 214 O PRO A 14 14.633 11.092 -24.096 1.00 0.00 O +ATOM 215 CB PRO A 14 11.854 12.774 -22.921 1.00 0.00 C +ATOM 216 CG PRO A 14 11.406 11.532 -22.230 1.00 0.00 C +ATOM 217 CD PRO A 14 11.072 10.550 -23.318 1.00 0.00 C +ATOM 218 HA PRO A 14 12.357 12.973 -25.000 1.00 0.00 H +ATOM 219 HB2 PRO A 14 12.556 13.332 -22.317 1.00 0.00 H +ATOM 220 HB3 PRO A 14 11.017 13.402 -23.184 1.00 0.00 H +ATOM 221 HG2 PRO A 14 12.203 11.149 -21.611 1.00 0.00 H +ATOM 222 HG3 PRO A 14 10.532 11.741 -21.631 1.00 0.00 H +ATOM 223 HD2 PRO A 14 11.317 9.545 -23.008 1.00 0.00 H +ATOM 224 HD3 PRO A 14 10.027 10.621 -23.582 1.00 0.00 H +ATOM 225 N ARG A 15 14.682 13.294 -23.634 1.00 0.00 N +ATOM 226 CA ARG A 15 16.119 13.323 -23.393 1.00 0.00 C +ATOM 227 C ARG A 15 16.432 13.973 -22.049 1.00 0.00 C +ATOM 228 O ARG A 15 16.898 15.110 -21.991 1.00 0.00 O +ATOM 229 CB ARG A 15 16.831 14.080 -24.516 1.00 0.00 C +ATOM 230 CG ARG A 15 16.624 13.467 -25.891 1.00 0.00 C +ATOM 231 CD ARG A 15 16.985 14.445 -26.998 1.00 0.00 C +ATOM 232 NE ARG A 15 16.095 14.322 -28.149 1.00 0.00 N +ATOM 233 CZ ARG A 15 14.832 14.735 -28.149 1.00 0.00 C +ATOM 234 NH1 ARG A 15 14.314 15.296 -27.065 1.00 0.00 N +ATOM 235 NH2 ARG A 15 14.085 14.588 -29.236 1.00 0.00 N +ATOM 236 H ARG A 15 14.166 14.123 -23.548 1.00 0.00 H +ATOM 237 HA ARG A 15 16.474 12.303 -23.378 1.00 0.00 H +ATOM 238 HB2 ARG A 15 16.462 15.095 -24.540 1.00 0.00 H +ATOM 239 HB3 ARG A 15 17.890 14.095 -24.308 1.00 0.00 H +ATOM 240 HG2 ARG A 15 17.250 12.591 -25.982 1.00 0.00 H +ATOM 241 HG3 ARG A 15 15.587 13.184 -25.996 1.00 0.00 H +ATOM 242 HD2 ARG A 15 16.916 15.450 -26.608 1.00 0.00 H +ATOM 243 HD3 ARG A 15 17.998 14.251 -27.315 1.00 0.00 H +ATOM 244 HE ARG A 15 16.457 13.911 -28.961 1.00 0.00 H +ATOM 245 HH11 ARG A 15 14.875 15.409 -26.245 1.00 0.00 H +ATOM 246 HH12 ARG A 15 13.364 15.607 -27.069 1.00 0.00 H +ATOM 247 HH21 ARG A 15 14.472 14.166 -30.055 1.00 0.00 H +ATOM 248 HH22 ARG A 15 13.135 14.899 -29.235 1.00 0.00 H +ATOM 249 N ASN A 16 16.173 13.242 -20.969 1.00 0.00 N +ATOM 250 CA ASN A 16 16.426 13.748 -19.625 1.00 0.00 C +ATOM 251 C ASN A 16 15.775 15.114 -19.426 1.00 0.00 C +ATOM 252 O ASN A 16 16.441 16.084 -19.065 1.00 0.00 O +ATOM 253 CB ASN A 16 17.931 13.846 -19.369 1.00 0.00 C +ATOM 254 CG ASN A 16 18.677 12.607 -19.828 1.00 0.00 C +ATOM 255 OD1 ASN A 16 19.680 12.700 -20.535 1.00 0.00 O +ATOM 256 ND2 ASN A 16 18.188 11.440 -19.426 1.00 0.00 N +ATOM 257 H ASN A 16 15.802 12.342 -21.079 1.00 0.00 H +ATOM 258 HA ASN A 16 15.994 13.051 -18.922 1.00 0.00 H +ATOM 259 HB2 ASN A 16 18.326 14.698 -19.902 1.00 0.00 H +ATOM 260 HB3 ASN A 16 18.103 13.976 -18.311 1.00 0.00 H +ATOM 261 HD21 ASN A 16 17.385 11.442 -18.863 1.00 0.00 H +ATOM 262 HD22 ASN A 16 18.651 10.623 -19.707 1.00 0.00 H +ATOM 263 N VAL A 17 14.469 15.182 -19.665 1.00 0.00 N +ATOM 264 CA VAL A 17 13.728 16.427 -19.511 1.00 0.00 C +ATOM 265 C VAL A 17 13.443 16.719 -18.042 1.00 0.00 C +ATOM 266 O VAL A 17 12.876 15.890 -17.332 1.00 0.00 O +ATOM 267 CB VAL A 17 12.395 16.387 -20.283 1.00 0.00 C +ATOM 268 CG1 VAL A 17 11.562 15.192 -19.846 1.00 0.00 C +ATOM 269 CG2 VAL A 17 11.626 17.684 -20.086 1.00 0.00 C +ATOM 270 H VAL A 17 13.993 14.374 -19.951 1.00 0.00 H +ATOM 271 HA VAL A 17 14.330 17.227 -19.917 1.00 0.00 H +ATOM 272 HB VAL A 17 12.615 16.279 -21.335 1.00 0.00 H +ATOM 273 HG11 VAL A 17 12.120 14.606 -19.131 1.00 0.00 H +ATOM 274 HG12 VAL A 17 10.645 15.538 -19.392 1.00 0.00 H +ATOM 275 HG13 VAL A 17 11.329 14.582 -20.707 1.00 0.00 H +ATOM 276 HG21 VAL A 17 10.709 17.648 -20.654 1.00 0.00 H +ATOM 277 HG22 VAL A 17 11.395 17.811 -19.038 1.00 0.00 H +ATOM 278 HG23 VAL A 17 12.227 18.515 -20.425 1.00 0.00 H +ATOM 279 N GLY A 18 13.840 17.906 -17.592 1.00 0.00 N +ATOM 280 CA GLY A 18 13.619 18.287 -16.209 1.00 0.00 C +ATOM 281 C GLY A 18 14.776 17.902 -15.309 1.00 0.00 C +ATOM 282 O GLY A 18 14.605 17.741 -14.101 1.00 0.00 O +ATOM 283 H GLY A 18 14.287 18.527 -18.204 1.00 0.00 H +ATOM 284 HA2 GLY A 18 13.478 19.357 -16.160 1.00 0.00 H +ATOM 285 HA3 GLY A 18 12.723 17.799 -15.853 1.00 0.00 H +ATOM 286 N SER A 19 15.958 17.754 -15.899 1.00 0.00 N +ATOM 287 CA SER A 19 17.148 17.380 -15.143 1.00 0.00 C +ATOM 288 C SER A 19 18.337 18.250 -15.537 1.00 0.00 C +ATOM 289 O SER A 19 18.378 18.807 -16.634 1.00 0.00 O +ATOM 290 CB SER A 19 17.482 15.905 -15.374 1.00 0.00 C +ATOM 291 OG SER A 19 16.928 15.441 -16.593 1.00 0.00 O +ATOM 292 H SER A 19 16.031 17.897 -16.866 1.00 0.00 H +ATOM 293 HA SER A 19 16.936 17.532 -14.095 1.00 0.00 H +ATOM 294 HB2 SER A 19 18.554 15.783 -15.410 1.00 0.00 H +ATOM 295 HB3 SER A 19 17.080 15.316 -14.562 1.00 0.00 H +ATOM 296 HG SER A 19 16.216 14.825 -16.407 1.00 0.00 H +ATOM 297 N PHE A 20 19.305 18.363 -14.632 1.00 0.00 N +ATOM 298 CA PHE A 20 20.496 19.166 -14.883 1.00 0.00 C +ATOM 299 C PHE A 20 21.709 18.276 -15.136 1.00 0.00 C +ATOM 300 O PHE A 20 22.847 18.674 -14.889 1.00 0.00 O +ATOM 301 CB PHE A 20 20.769 20.095 -13.699 1.00 0.00 C +ATOM 302 CG PHE A 20 21.194 21.477 -14.106 1.00 0.00 C +ATOM 303 CD1 PHE A 20 20.263 22.396 -14.563 1.00 0.00 C +ATOM 304 CD2 PHE A 20 22.524 21.858 -14.031 1.00 0.00 C +ATOM 305 CE1 PHE A 20 20.651 23.668 -14.940 1.00 0.00 C +ATOM 306 CE2 PHE A 20 22.918 23.128 -14.406 1.00 0.00 C +ATOM 307 CZ PHE A 20 21.980 24.035 -14.860 1.00 0.00 C +ATOM 308 H PHE A 20 19.215 17.895 -13.775 1.00 0.00 H +ATOM 309 HA PHE A 20 20.312 19.763 -15.763 1.00 0.00 H +ATOM 310 HB2 PHE A 20 19.871 20.186 -13.107 1.00 0.00 H +ATOM 311 HB3 PHE A 20 21.554 19.671 -13.091 1.00 0.00 H +ATOM 312 HD1 PHE A 20 19.223 22.111 -14.625 1.00 0.00 H +ATOM 313 HD2 PHE A 20 23.259 21.149 -13.676 1.00 0.00 H +ATOM 314 HE1 PHE A 20 19.916 24.375 -15.294 1.00 0.00 H +ATOM 315 HE2 PHE A 20 23.959 23.412 -14.342 1.00 0.00 H +ATOM 316 HZ PHE A 20 22.286 25.028 -15.153 1.00 0.00 H +ATOM 317 N ASP A 21 21.456 17.069 -15.630 1.00 0.00 N +ATOM 318 CA ASP A 21 22.527 16.121 -15.917 1.00 0.00 C +ATOM 319 C ASP A 21 23.369 15.859 -14.673 1.00 0.00 C +ATOM 320 O ASP A 21 24.324 16.582 -14.394 1.00 0.00 O +ATOM 321 CB ASP A 21 23.413 16.648 -17.047 1.00 0.00 C +ATOM 322 CG ASP A 21 22.613 17.309 -18.151 1.00 0.00 C +ATOM 323 OD1 ASP A 21 21.771 16.621 -18.766 1.00 0.00 O +ATOM 324 OD2 ASP A 21 22.828 18.513 -18.401 1.00 0.00 O +ATOM 325 H ASP A 21 20.527 16.809 -15.806 1.00 0.00 H +ATOM 326 HA ASP A 21 22.073 15.193 -16.231 1.00 0.00 H +ATOM 327 HB2 ASP A 21 24.104 17.374 -16.644 1.00 0.00 H +ATOM 328 HB3 ASP A 21 23.970 15.825 -17.472 1.00 0.00 H +ATOM 329 N ASN A 22 23.006 14.819 -13.927 1.00 0.00 N +ATOM 330 CA ASN A 22 23.728 14.463 -12.711 1.00 0.00 C +ATOM 331 C ASN A 22 23.728 15.622 -11.719 1.00 0.00 C +ATOM 332 O ASN A 22 23.122 16.663 -11.966 1.00 0.00 O +ATOM 333 CB ASN A 22 25.166 14.062 -13.045 1.00 0.00 C +ATOM 334 CG ASN A 22 25.551 12.728 -12.436 1.00 0.00 C +ATOM 335 OD1 ASN A 22 26.270 12.674 -11.438 1.00 0.00 O +ATOM 336 ND2 ASN A 22 25.073 11.644 -13.035 1.00 0.00 N +ATOM 337 H ASN A 22 22.235 14.280 -14.201 1.00 0.00 H +ATOM 338 HA ASN A 22 23.224 13.620 -12.262 1.00 0.00 H +ATOM 339 HB2 ASN A 22 25.273 13.990 -14.118 1.00 0.00 H +ATOM 340 HB3 ASN A 22 25.840 14.817 -12.670 1.00 0.00 H +ATOM 341 HD21 ASN A 22 24.506 11.763 -13.826 1.00 0.00 H +ATOM 342 HD22 ASN A 22 25.306 10.768 -12.661 1.00 0.00 H +ATOM 343 N ASN A 23 24.414 15.432 -10.596 1.00 0.00 N +ATOM 344 CA ASN A 23 24.494 16.462 -9.566 1.00 0.00 C +ATOM 345 C ASN A 23 25.532 17.518 -9.932 1.00 0.00 C +ATOM 346 O ASN A 23 26.253 17.378 -10.921 1.00 0.00 O +ATOM 347 CB ASN A 23 24.842 15.835 -8.215 1.00 0.00 C +ATOM 348 CG ASN A 23 24.089 14.542 -7.966 1.00 0.00 C +ATOM 349 OD1 ASN A 23 23.030 14.538 -7.339 1.00 0.00 O +ATOM 350 ND2 ASN A 23 24.635 13.436 -8.458 1.00 0.00 N +ATOM 351 H ASN A 23 24.877 14.580 -10.457 1.00 0.00 H +ATOM 352 HA ASN A 23 23.526 16.935 -9.495 1.00 0.00 H +ATOM 353 HB2 ASN A 23 25.901 15.623 -8.185 1.00 0.00 H +ATOM 354 HB3 ASN A 23 24.596 16.531 -7.427 1.00 0.00 H +ATOM 355 HD21 ASN A 23 25.481 13.514 -8.947 1.00 0.00 H +ATOM 356 HD22 ASN A 23 24.169 12.586 -8.313 1.00 0.00 H +ATOM 357 N ASP A 24 25.603 18.573 -9.129 1.00 0.00 N +ATOM 358 CA ASP A 24 26.554 19.653 -9.366 1.00 0.00 C +ATOM 359 C ASP A 24 27.307 20.005 -8.087 1.00 0.00 C +ATOM 360 O ASP A 24 27.778 21.130 -7.923 1.00 0.00 O +ATOM 361 CB ASP A 24 25.832 20.889 -9.904 1.00 0.00 C +ATOM 362 CG ASP A 24 26.764 21.829 -10.642 1.00 0.00 C +ATOM 363 OD1 ASP A 24 27.438 21.373 -11.590 1.00 0.00 O +ATOM 364 OD2 ASP A 24 26.822 23.020 -10.271 1.00 0.00 O +ATOM 365 H ASP A 24 25.002 18.627 -8.356 1.00 0.00 H +ATOM 366 HA ASP A 24 27.265 19.312 -10.104 1.00 0.00 H +ATOM 367 HB2 ASP A 24 25.054 20.575 -10.586 1.00 0.00 H +ATOM 368 HB3 ASP A 24 25.387 21.425 -9.079 1.00 0.00 H +ATOM 369 N GLU A 25 27.414 19.036 -7.183 1.00 0.00 N +ATOM 370 CA GLU A 25 28.108 19.245 -5.918 1.00 0.00 C +ATOM 371 C GLU A 25 27.399 20.303 -5.077 1.00 0.00 C +ATOM 372 O GLU A 25 27.966 20.837 -4.125 1.00 0.00 O +ATOM 373 CB GLU A 25 29.558 19.665 -6.169 1.00 0.00 C +ATOM 374 CG GLU A 25 30.254 18.840 -7.238 1.00 0.00 C +ATOM 375 CD GLU A 25 31.744 18.704 -6.992 1.00 0.00 C +ATOM 376 OE1 GLU A 25 32.382 19.716 -6.635 1.00 0.00 O +ATOM 377 OE2 GLU A 25 32.273 17.585 -7.158 1.00 0.00 O +ATOM 378 H GLU A 25 27.017 18.160 -7.372 1.00 0.00 H +ATOM 379 HA GLU A 25 28.102 18.311 -5.378 1.00 0.00 H +ATOM 380 HB2 GLU A 25 29.573 20.700 -6.476 1.00 0.00 H +ATOM 381 HB3 GLU A 25 30.113 19.564 -5.248 1.00 0.00 H +ATOM 382 HG2 GLU A 25 29.817 17.853 -7.255 1.00 0.00 H +ATOM 383 HG3 GLU A 25 30.104 19.315 -8.197 1.00 0.00 H +ATOM 384 N ASN A 26 26.155 20.602 -5.438 1.00 0.00 N +ATOM 385 CA ASN A 26 25.368 21.596 -4.719 1.00 0.00 C +ATOM 386 C ASN A 26 23.913 21.574 -5.177 1.00 0.00 C +ATOM 387 O ASN A 26 23.227 22.596 -5.150 1.00 0.00 O +ATOM 388 CB ASN A 26 25.959 22.992 -4.928 1.00 0.00 C +ATOM 389 CG ASN A 26 26.496 23.189 -6.332 1.00 0.00 C +ATOM 390 OD1 ASN A 26 27.692 23.408 -6.526 1.00 0.00 O +ATOM 391 ND2 ASN A 26 25.612 23.111 -7.320 1.00 0.00 N +ATOM 392 H ASN A 26 25.757 20.142 -6.207 1.00 0.00 H +ATOM 393 HA ASN A 26 25.407 21.352 -3.668 1.00 0.00 H +ATOM 394 HB2 ASN A 26 25.191 23.732 -4.750 1.00 0.00 H +ATOM 395 HB3 ASN A 26 26.767 23.143 -4.228 1.00 0.00 H +ATOM 396 HD21 ASN A 26 24.676 22.934 -7.090 1.00 0.00 H +ATOM 397 HD22 ASN A 26 25.933 23.233 -8.238 1.00 0.00 H +ATOM 398 N VAL A 27 23.449 20.402 -5.597 1.00 0.00 N +ATOM 399 CA VAL A 27 22.075 20.245 -6.059 1.00 0.00 C +ATOM 400 C VAL A 27 21.264 19.388 -5.093 1.00 0.00 C +ATOM 401 O VAL A 27 21.696 18.308 -4.692 1.00 0.00 O +ATOM 402 CB VAL A 27 22.023 19.607 -7.461 1.00 0.00 C +ATOM 403 CG1 VAL A 27 20.585 19.322 -7.865 1.00 0.00 C +ATOM 404 CG2 VAL A 27 22.704 20.508 -8.480 1.00 0.00 C +ATOM 405 H VAL A 27 24.044 19.623 -5.595 1.00 0.00 H +ATOM 406 HA VAL A 27 21.628 21.227 -6.117 1.00 0.00 H +ATOM 407 HB VAL A 27 22.558 18.669 -7.427 1.00 0.00 H +ATOM 408 HG11 VAL A 27 20.424 18.254 -7.889 1.00 0.00 H +ATOM 409 HG12 VAL A 27 19.913 19.773 -7.150 1.00 0.00 H +ATOM 410 HG13 VAL A 27 20.398 19.736 -8.845 1.00 0.00 H +ATOM 411 HG21 VAL A 27 21.954 21.036 -9.051 1.00 0.00 H +ATOM 412 HG22 VAL A 27 23.334 21.221 -7.968 1.00 0.00 H +ATOM 413 HG23 VAL A 27 23.307 19.908 -9.146 1.00 0.00 H +ATOM 414 N GLY A 28 20.085 19.878 -4.723 1.00 0.00 N +ATOM 415 CA GLY A 28 19.231 19.145 -3.807 1.00 0.00 C +ATOM 416 C GLY A 28 18.037 18.521 -4.501 1.00 0.00 C +ATOM 417 O GLY A 28 17.428 19.136 -5.376 1.00 0.00 O +ATOM 418 H GLY A 28 19.792 20.745 -5.075 1.00 0.00 H +ATOM 419 HA2 GLY A 28 19.812 18.363 -3.339 1.00 0.00 H +ATOM 420 HA3 GLY A 28 18.876 19.822 -3.044 1.00 0.00 H +ATOM 421 N SER A 29 17.701 17.295 -4.110 1.00 0.00 N +ATOM 422 CA SER A 29 16.575 16.585 -4.705 1.00 0.00 C +ATOM 423 C SER A 29 15.491 16.317 -3.664 1.00 0.00 C +ATOM 424 O SER A 29 15.783 15.939 -2.531 1.00 0.00 O +ATOM 425 CB SER A 29 17.044 15.266 -5.321 1.00 0.00 C +ATOM 426 OG SER A 29 18.351 15.389 -5.854 1.00 0.00 O +ATOM 427 H SER A 29 18.225 16.858 -3.407 1.00 0.00 H +ATOM 428 HA SER A 29 16.163 17.210 -5.483 1.00 0.00 H +ATOM 429 HB2 SER A 29 17.048 14.499 -4.562 1.00 0.00 H +ATOM 430 HB3 SER A 29 16.368 14.983 -6.115 1.00 0.00 H +ATOM 431 HG SER A 29 18.985 15.018 -5.236 1.00 0.00 H +ATOM 432 N GLY A 30 14.237 16.517 -4.060 1.00 0.00 N +ATOM 433 CA GLY A 30 13.129 16.292 -3.151 1.00 0.00 C +ATOM 434 C GLY A 30 12.059 15.402 -3.751 1.00 0.00 C +ATOM 435 O GLY A 30 11.406 15.775 -4.725 1.00 0.00 O +ATOM 436 H GLY A 30 14.064 16.819 -4.976 1.00 0.00 H +ATOM 437 HA2 GLY A 30 13.504 15.830 -2.250 1.00 0.00 H +ATOM 438 HA3 GLY A 30 12.687 17.245 -2.898 1.00 0.00 H +ATOM 439 N MET A 31 11.880 14.221 -3.168 1.00 0.00 N +ATOM 440 CA MET A 31 10.881 13.274 -3.652 1.00 0.00 C +ATOM 441 C MET A 31 9.912 12.889 -2.539 1.00 0.00 C +ATOM 442 O MET A 31 10.327 12.463 -1.461 1.00 0.00 O +ATOM 443 CB MET A 31 11.562 12.021 -4.207 1.00 0.00 C +ATOM 444 CG MET A 31 10.584 10.959 -4.682 1.00 0.00 C +ATOM 445 SD MET A 31 10.385 9.617 -3.494 1.00 0.00 S +ATOM 446 CE MET A 31 8.657 9.804 -3.060 1.00 0.00 C +ATOM 447 H MET A 31 12.431 13.979 -2.394 1.00 0.00 H +ATOM 448 HA MET A 31 10.328 13.754 -4.446 1.00 0.00 H +ATOM 449 HB2 MET A 31 12.186 12.305 -5.042 1.00 0.00 H +ATOM 450 HB3 MET A 31 12.181 11.590 -3.435 1.00 0.00 H +ATOM 451 HG2 MET A 31 9.622 11.420 -4.846 1.00 0.00 H +ATOM 452 HG3 MET A 31 10.947 10.546 -5.613 1.00 0.00 H +ATOM 453 HE1 MET A 31 8.578 10.249 -2.079 1.00 0.00 H +ATOM 454 HE2 MET A 31 8.171 10.440 -3.784 1.00 0.00 H +ATOM 455 HE3 MET A 31 8.181 8.834 -3.054 1.00 0.00 H +ATOM 456 N VAL A 32 8.619 13.043 -2.807 1.00 0.00 N +ATOM 457 CA VAL A 32 7.591 12.710 -1.827 1.00 0.00 C +ATOM 458 C VAL A 32 6.415 11.997 -2.486 1.00 0.00 C +ATOM 459 O VAL A 32 6.127 12.209 -3.663 1.00 0.00 O +ATOM 460 CB VAL A 32 7.075 13.970 -1.107 1.00 0.00 C +ATOM 461 CG1 VAL A 32 8.225 14.723 -0.457 1.00 0.00 C +ATOM 462 CG2 VAL A 32 6.320 14.866 -2.076 1.00 0.00 C +ATOM 463 H VAL A 32 8.350 13.387 -3.684 1.00 0.00 H +ATOM 464 HA VAL A 32 8.031 12.054 -1.091 1.00 0.00 H +ATOM 465 HB VAL A 32 6.392 13.660 -0.329 1.00 0.00 H +ATOM 466 HG11 VAL A 32 7.849 15.623 0.007 1.00 0.00 H +ATOM 467 HG12 VAL A 32 8.689 14.097 0.291 1.00 0.00 H +ATOM 468 HG13 VAL A 32 8.954 14.985 -1.210 1.00 0.00 H +ATOM 469 HG21 VAL A 32 6.027 15.775 -1.572 1.00 0.00 H +ATOM 470 HG22 VAL A 32 6.957 15.109 -2.914 1.00 0.00 H +ATOM 471 HG23 VAL A 32 5.439 14.352 -2.432 1.00 0.00 H +ATOM 472 N GLY A 33 5.739 11.149 -1.716 1.00 0.00 N +ATOM 473 CA GLY A 33 4.601 10.417 -2.242 1.00 0.00 C +ATOM 474 C GLY A 33 3.648 9.967 -1.152 1.00 0.00 C +ATOM 475 O GLY A 33 3.917 10.156 0.034 1.00 0.00 O +ATOM 476 H GLY A 33 6.014 11.020 -0.785 1.00 0.00 H +ATOM 477 HA2 GLY A 33 4.067 11.051 -2.933 1.00 0.00 H +ATOM 478 HA3 GLY A 33 4.961 9.547 -2.771 1.00 0.00 H +ATOM 479 N ALA A 34 2.531 9.371 -1.555 1.00 0.00 N +ATOM 480 CA ALA A 34 1.535 8.892 -0.604 1.00 0.00 C +ATOM 481 C ALA A 34 0.856 7.625 -1.112 1.00 0.00 C +ATOM 482 O ALA A 34 0.735 7.396 -2.316 1.00 0.00 O +ATOM 483 CB ALA A 34 0.501 9.975 -0.333 1.00 0.00 C +ATOM 484 H ALA A 34 2.373 9.249 -2.514 1.00 0.00 H +ATOM 485 HA ALA A 34 2.040 8.670 0.325 1.00 0.00 H +ATOM 486 HB1 ALA A 34 0.684 10.411 0.638 1.00 0.00 H +ATOM 487 HB2 ALA A 34 0.574 10.740 -1.091 1.00 0.00 H +ATOM 488 HB3 ALA A 34 -0.487 9.541 -0.353 1.00 0.00 H +ATOM 489 N PRO A 35 0.402 6.780 -0.175 1.00 0.00 N +ATOM 490 CA PRO A 35 -0.273 5.521 -0.504 1.00 0.00 C +ATOM 491 C PRO A 35 -1.654 5.745 -1.111 1.00 0.00 C +ATOM 492 O PRO A 35 -1.988 5.169 -2.146 1.00 0.00 O +ATOM 493 CB PRO A 35 -0.392 4.817 0.850 1.00 0.00 C +ATOM 494 CG PRO A 35 -0.377 5.919 1.852 1.00 0.00 C +ATOM 495 CD PRO A 35 0.511 6.988 1.279 1.00 0.00 C +ATOM 496 HA PRO A 35 0.320 4.916 -1.175 1.00 0.00 H +ATOM 497 HB2 PRO A 35 -1.317 4.259 0.889 1.00 0.00 H +ATOM 498 HB3 PRO A 35 0.445 4.148 0.987 1.00 0.00 H +ATOM 499 HG2 PRO A 35 -1.377 6.299 1.995 1.00 0.00 H +ATOM 500 HG3 PRO A 35 0.026 5.559 2.787 1.00 0.00 H +ATOM 501 HD2 PRO A 35 0.151 7.968 1.556 1.00 0.00 H +ATOM 502 HD3 PRO A 35 1.530 6.851 1.611 1.00 0.00 H +ATOM 503 N ALA A 36 -2.452 6.584 -0.460 1.00 0.00 N +ATOM 504 CA ALA A 36 -3.796 6.886 -0.937 1.00 0.00 C +ATOM 505 C ALA A 36 -3.761 7.916 -2.061 1.00 0.00 C +ATOM 506 O ALA A 36 -4.689 8.001 -2.866 1.00 0.00 O +ATOM 507 CB ALA A 36 -4.665 7.382 0.209 1.00 0.00 C +ATOM 508 H ALA A 36 -2.129 7.012 0.360 1.00 0.00 H +ATOM 509 HA ALA A 36 -4.229 5.971 -1.315 1.00 0.00 H +ATOM 510 HB1 ALA A 36 -5.699 7.388 -0.101 1.00 0.00 H +ATOM 511 HB2 ALA A 36 -4.547 6.727 1.059 1.00 0.00 H +ATOM 512 HB3 ALA A 36 -4.364 8.383 0.481 1.00 0.00 H +ATOM 513 N CYS A 37 -2.687 8.696 -2.109 1.00 0.00 N +ATOM 514 CA CYS A 37 -2.533 9.722 -3.134 1.00 0.00 C +ATOM 515 C CYS A 37 -2.115 9.103 -4.464 1.00 0.00 C +ATOM 516 O CYS A 37 -2.447 9.618 -5.531 1.00 0.00 O +ATOM 517 CB CYS A 37 -1.499 10.760 -2.694 1.00 0.00 C +ATOM 518 SG CYS A 37 -1.658 12.358 -3.526 1.00 0.00 S +ATOM 519 H CYS A 37 -1.981 8.580 -1.440 1.00 0.00 H +ATOM 520 HA CYS A 37 -3.488 10.208 -3.262 1.00 0.00 H +ATOM 521 HB2 CYS A 37 -1.602 10.931 -1.633 1.00 0.00 H +ATOM 522 HB3 CYS A 37 -0.509 10.380 -2.897 1.00 0.00 H +ATOM 523 HG CYS A 37 -2.379 13.152 -2.750 1.00 0.00 H +ATOM 524 N GLY A 38 -1.383 7.995 -4.392 1.00 0.00 N +ATOM 525 CA GLY A 38 -0.931 7.326 -5.598 1.00 0.00 C +ATOM 526 C GLY A 38 -0.234 8.269 -6.558 1.00 0.00 C +ATOM 527 O GLY A 38 -0.647 8.410 -7.709 1.00 0.00 O +ATOM 528 H GLY A 38 -1.149 7.630 -3.514 1.00 0.00 H +ATOM 529 HA2 GLY A 38 -0.246 6.537 -5.323 1.00 0.00 H +ATOM 530 HA3 GLY A 38 -1.784 6.889 -6.095 1.00 0.00 H +ATOM 531 N ALA A 39 0.825 8.918 -6.085 1.00 0.00 N +ATOM 532 CA ALA A 39 1.580 9.852 -6.910 1.00 0.00 C +ATOM 533 C ALA A 39 2.938 10.160 -6.288 1.00 0.00 C +ATOM 534 O ALA A 39 3.225 9.747 -5.164 1.00 0.00 O +ATOM 535 CB ALA A 39 0.788 11.135 -7.115 1.00 0.00 C +ATOM 536 H ALA A 39 1.105 8.763 -5.159 1.00 0.00 H +ATOM 537 HA ALA A 39 1.734 9.394 -7.877 1.00 0.00 H +ATOM 538 HB1 ALA A 39 0.926 11.484 -8.128 1.00 0.00 H +ATOM 539 HB2 ALA A 39 -0.260 10.942 -6.939 1.00 0.00 H +ATOM 540 HB3 ALA A 39 1.137 11.887 -6.423 1.00 0.00 H +ATOM 541 N VAL A 40 3.771 10.887 -7.026 1.00 0.00 N +ATOM 542 CA VAL A 40 5.099 11.251 -6.546 1.00 0.00 C +ATOM 543 C VAL A 40 5.501 12.636 -7.039 1.00 0.00 C +ATOM 544 O VAL A 40 5.351 12.954 -8.219 1.00 0.00 O +ATOM 545 CB VAL A 40 6.159 10.229 -7.000 1.00 0.00 C +ATOM 546 CG1 VAL A 40 7.495 10.514 -6.332 1.00 0.00 C +ATOM 547 CG2 VAL A 40 5.695 8.812 -6.699 1.00 0.00 C +ATOM 548 H VAL A 40 3.485 11.187 -7.914 1.00 0.00 H +ATOM 549 HA VAL A 40 5.074 11.257 -5.466 1.00 0.00 H +ATOM 550 HB VAL A 40 6.287 10.324 -8.068 1.00 0.00 H +ATOM 551 HG11 VAL A 40 7.952 9.583 -6.029 1.00 0.00 H +ATOM 552 HG12 VAL A 40 8.144 11.025 -7.029 1.00 0.00 H +ATOM 553 HG13 VAL A 40 7.338 11.136 -5.463 1.00 0.00 H +ATOM 554 HG21 VAL A 40 4.775 8.615 -7.229 1.00 0.00 H +ATOM 555 HG22 VAL A 40 6.452 8.110 -7.018 1.00 0.00 H +ATOM 556 HG23 VAL A 40 5.529 8.704 -5.638 1.00 0.00 H +ATOM 557 N MET A 41 6.012 13.457 -6.128 1.00 0.00 N +ATOM 558 CA MET A 41 6.438 14.809 -6.471 1.00 0.00 C +ATOM 559 C MET A 41 7.960 14.910 -6.495 1.00 0.00 C +ATOM 560 O MET A 41 8.610 14.905 -5.449 1.00 0.00 O +ATOM 561 CB MET A 41 5.864 15.816 -5.472 1.00 0.00 C +ATOM 562 CG MET A 41 4.769 16.694 -6.055 1.00 0.00 C +ATOM 563 SD MET A 41 3.148 16.344 -5.348 1.00 0.00 S +ATOM 564 CE MET A 41 2.325 17.916 -5.593 1.00 0.00 C +ATOM 565 H MET A 41 6.107 13.147 -5.203 1.00 0.00 H +ATOM 566 HA MET A 41 6.058 15.036 -7.455 1.00 0.00 H +ATOM 567 HB2 MET A 41 5.454 15.277 -4.631 1.00 0.00 H +ATOM 568 HB3 MET A 41 6.662 16.456 -5.125 1.00 0.00 H +ATOM 569 HG2 MET A 41 5.014 17.728 -5.862 1.00 0.00 H +ATOM 570 HG3 MET A 41 4.726 16.530 -7.122 1.00 0.00 H +ATOM 571 HE1 MET A 41 3.050 18.659 -5.893 1.00 0.00 H +ATOM 572 HE2 MET A 41 1.575 17.814 -6.363 1.00 0.00 H +ATOM 573 HE3 MET A 41 1.856 18.224 -4.670 1.00 0.00 H +ATOM 574 N LYS A 42 8.523 15.002 -7.695 1.00 0.00 N +ATOM 575 CA LYS A 42 9.968 15.105 -7.857 1.00 0.00 C +ATOM 576 C LYS A 42 10.354 16.453 -8.457 1.00 0.00 C +ATOM 577 O LYS A 42 9.920 16.801 -9.556 1.00 0.00 O +ATOM 578 CB LYS A 42 10.485 13.972 -8.746 1.00 0.00 C +ATOM 579 CG LYS A 42 9.993 12.597 -8.327 1.00 0.00 C +ATOM 580 CD LYS A 42 11.148 11.678 -7.967 1.00 0.00 C +ATOM 581 CE LYS A 42 12.041 11.408 -9.168 1.00 0.00 C +ATOM 582 NZ LYS A 42 11.346 10.595 -10.205 1.00 0.00 N +ATOM 583 H LYS A 42 7.952 15.001 -8.492 1.00 0.00 H +ATOM 584 HA LYS A 42 10.418 15.018 -6.879 1.00 0.00 H +ATOM 585 HB2 LYS A 42 10.164 14.152 -9.761 1.00 0.00 H +ATOM 586 HB3 LYS A 42 11.565 13.970 -8.714 1.00 0.00 H +ATOM 587 HG2 LYS A 42 9.349 12.702 -7.466 1.00 0.00 H +ATOM 588 HG3 LYS A 42 9.437 12.159 -9.144 1.00 0.00 H +ATOM 589 HD2 LYS A 42 11.739 12.142 -7.191 1.00 0.00 H +ATOM 590 HD3 LYS A 42 10.751 10.739 -7.607 1.00 0.00 H +ATOM 591 HE2 LYS A 42 12.335 12.352 -9.601 1.00 0.00 H +ATOM 592 HE3 LYS A 42 12.920 10.876 -8.835 1.00 0.00 H +ATOM 593 HZ1 LYS A 42 12.025 9.966 -10.679 1.00 0.00 H +ATOM 594 HZ2 LYS A 42 10.913 11.218 -10.916 1.00 0.00 H +ATOM 595 HZ3 LYS A 42 10.602 10.017 -9.766 1.00 0.00 H +ATOM 596 N LEU A 43 11.171 17.207 -7.731 1.00 0.00 N +ATOM 597 CA LEU A 43 11.617 18.517 -8.194 1.00 0.00 C +ATOM 598 C LEU A 43 13.117 18.690 -7.977 1.00 0.00 C +ATOM 599 O LEU A 43 13.678 18.167 -7.014 1.00 0.00 O +ATOM 600 CB LEU A 43 10.854 19.624 -7.464 1.00 0.00 C +ATOM 601 CG LEU A 43 9.520 20.041 -8.085 1.00 0.00 C +ATOM 602 CD1 LEU A 43 8.512 18.905 -7.996 1.00 0.00 C +ATOM 603 CD2 LEU A 43 8.980 21.289 -7.401 1.00 0.00 C +ATOM 604 H LEU A 43 11.484 16.876 -6.864 1.00 0.00 H +ATOM 605 HA LEU A 43 11.408 18.584 -9.251 1.00 0.00 H +ATOM 606 HB2 LEU A 43 10.658 19.284 -6.459 1.00 0.00 H +ATOM 607 HB3 LEU A 43 11.491 20.497 -7.429 1.00 0.00 H +ATOM 608 HG LEU A 43 9.672 20.270 -9.130 1.00 0.00 H +ATOM 609 HD11 LEU A 43 8.857 18.172 -7.283 1.00 0.00 H +ATOM 610 HD12 LEU A 43 8.406 18.442 -8.966 1.00 0.00 H +ATOM 611 HD13 LEU A 43 7.556 19.296 -7.678 1.00 0.00 H +ATOM 612 HD21 LEU A 43 9.793 21.976 -7.216 1.00 0.00 H +ATOM 613 HD22 LEU A 43 8.519 21.015 -6.463 1.00 0.00 H +ATOM 614 HD23 LEU A 43 8.248 21.761 -8.039 1.00 0.00 H +ATOM 615 N GLN A 44 13.758 19.429 -8.876 1.00 0.00 N +ATOM 616 CA GLN A 44 15.193 19.672 -8.781 1.00 0.00 C +ATOM 617 C GLN A 44 15.475 21.114 -8.372 1.00 0.00 C +ATOM 618 O GLN A 44 14.632 21.994 -8.544 1.00 0.00 O +ATOM 619 CB GLN A 44 15.873 19.366 -10.117 1.00 0.00 C +ATOM 620 CG GLN A 44 16.708 18.096 -10.098 1.00 0.00 C +ATOM 621 CD GLN A 44 18.128 18.325 -10.575 1.00 0.00 C +ATOM 622 OE1 GLN A 44 18.382 19.190 -11.414 1.00 0.00 O +ATOM 623 NE2 GLN A 44 19.064 17.548 -10.042 1.00 0.00 N +ATOM 624 H GLN A 44 13.255 19.819 -9.620 1.00 0.00 H +ATOM 625 HA GLN A 44 15.591 19.012 -8.026 1.00 0.00 H +ATOM 626 HB2 GLN A 44 15.114 19.261 -10.878 1.00 0.00 H +ATOM 627 HB3 GLN A 44 16.519 20.192 -10.376 1.00 0.00 H +ATOM 628 HG2 GLN A 44 16.741 17.717 -9.087 1.00 0.00 H +ATOM 629 HG3 GLN A 44 16.241 17.364 -10.741 1.00 0.00 H +ATOM 630 HE21 GLN A 44 18.789 16.879 -9.380 1.00 0.00 H +ATOM 631 HE22 GLN A 44 19.991 17.674 -10.333 1.00 0.00 H +ATOM 632 N ILE A 45 16.666 21.347 -7.830 1.00 0.00 N +ATOM 633 CA ILE A 45 17.058 22.683 -7.398 1.00 0.00 C +ATOM 634 C ILE A 45 18.564 22.884 -7.534 1.00 0.00 C +ATOM 635 O ILE A 45 19.322 21.922 -7.656 1.00 0.00 O +ATOM 636 CB ILE A 45 16.647 22.945 -5.937 1.00 0.00 C +ATOM 637 CG1 ILE A 45 17.422 22.024 -4.992 1.00 0.00 C +ATOM 638 CG2 ILE A 45 15.148 22.747 -5.765 1.00 0.00 C +ATOM 639 CD1 ILE A 45 18.342 22.765 -4.047 1.00 0.00 C +ATOM 640 H ILE A 45 17.295 20.605 -7.720 1.00 0.00 H +ATOM 641 HA ILE A 45 16.552 23.399 -8.028 1.00 0.00 H +ATOM 642 HB ILE A 45 16.880 23.972 -5.699 1.00 0.00 H +ATOM 643 HG12 ILE A 45 16.724 21.457 -4.398 1.00 0.00 H +ATOM 644 HG13 ILE A 45 18.025 21.345 -5.578 1.00 0.00 H +ATOM 645 HG21 ILE A 45 14.869 22.975 -4.747 1.00 0.00 H +ATOM 646 HG22 ILE A 45 14.619 23.406 -6.438 1.00 0.00 H +ATOM 647 HG23 ILE A 45 14.892 21.723 -5.989 1.00 0.00 H +ATOM 648 HD11 ILE A 45 18.789 23.603 -4.561 1.00 0.00 H +ATOM 649 HD12 ILE A 45 17.776 23.122 -3.200 1.00 0.00 H +ATOM 650 HD13 ILE A 45 19.120 22.097 -3.704 1.00 0.00 H +ATOM 651 N LYS A 46 18.991 24.142 -7.510 1.00 0.00 N +ATOM 652 CA LYS A 46 20.407 24.472 -7.627 1.00 0.00 C +ATOM 653 C LYS A 46 20.780 25.612 -6.686 1.00 0.00 C +ATOM 654 O LYS A 46 20.304 26.737 -6.838 1.00 0.00 O +ATOM 655 CB LYS A 46 20.744 24.856 -9.070 1.00 0.00 C +ATOM 656 CG LYS A 46 21.930 24.097 -9.640 1.00 0.00 C +ATOM 657 CD LYS A 46 23.183 24.957 -9.665 1.00 0.00 C +ATOM 658 CE LYS A 46 23.631 25.328 -8.260 1.00 0.00 C +ATOM 659 NZ LYS A 46 25.025 25.852 -8.243 1.00 0.00 N +ATOM 660 H LYS A 46 18.338 24.867 -7.410 1.00 0.00 H +ATOM 661 HA LYS A 46 20.975 23.595 -7.355 1.00 0.00 H +ATOM 662 HB2 LYS A 46 19.884 24.659 -9.693 1.00 0.00 H +ATOM 663 HB3 LYS A 46 20.969 25.912 -9.105 1.00 0.00 H +ATOM 664 HG2 LYS A 46 22.116 23.226 -9.029 1.00 0.00 H +ATOM 665 HG3 LYS A 46 21.696 23.788 -10.649 1.00 0.00 H +ATOM 666 HD2 LYS A 46 23.976 24.408 -10.150 1.00 0.00 H +ATOM 667 HD3 LYS A 46 22.977 25.861 -10.219 1.00 0.00 H +ATOM 668 HE2 LYS A 46 22.967 26.086 -7.872 1.00 0.00 H +ATOM 669 HE3 LYS A 46 23.578 24.449 -7.635 1.00 0.00 H +ATOM 670 HZ1 LYS A 46 25.496 25.642 -9.147 1.00 0.00 H +ATOM 671 HZ2 LYS A 46 25.565 25.407 -7.473 1.00 0.00 H +ATOM 672 HZ3 LYS A 46 25.019 26.881 -8.098 1.00 0.00 H +ATOM 673 N VAL A 47 21.635 25.315 -5.713 1.00 0.00 N +ATOM 674 CA VAL A 47 22.074 26.317 -4.748 1.00 0.00 C +ATOM 675 C VAL A 47 23.545 26.663 -4.947 1.00 0.00 C +ATOM 676 O VAL A 47 24.346 25.814 -5.336 1.00 0.00 O +ATOM 677 CB VAL A 47 21.862 25.833 -3.301 1.00 0.00 C +ATOM 678 CG1 VAL A 47 22.119 26.964 -2.317 1.00 0.00 C +ATOM 679 CG2 VAL A 47 20.459 25.272 -3.127 1.00 0.00 C +ATOM 680 H VAL A 47 21.980 24.401 -5.643 1.00 0.00 H +ATOM 681 HA VAL A 47 21.481 27.207 -4.898 1.00 0.00 H +ATOM 682 HB VAL A 47 22.570 25.042 -3.100 1.00 0.00 H +ATOM 683 HG11 VAL A 47 23.182 27.063 -2.154 1.00 0.00 H +ATOM 684 HG12 VAL A 47 21.727 27.887 -2.718 1.00 0.00 H +ATOM 685 HG13 VAL A 47 21.631 26.742 -1.379 1.00 0.00 H +ATOM 686 HG21 VAL A 47 19.879 25.474 -4.015 1.00 0.00 H +ATOM 687 HG22 VAL A 47 20.514 24.205 -2.969 1.00 0.00 H +ATOM 688 HG23 VAL A 47 19.988 25.738 -2.275 1.00 0.00 H +ATOM 689 N ASN A 48 23.894 27.916 -4.675 1.00 0.00 N +ATOM 690 CA ASN A 48 25.270 28.376 -4.824 1.00 0.00 C +ATOM 691 C ASN A 48 25.976 28.427 -3.472 1.00 0.00 C +ATOM 692 O ASN A 48 25.439 27.971 -2.462 1.00 0.00 O +ATOM 693 CB ASN A 48 25.301 29.758 -5.480 1.00 0.00 C +ATOM 694 CG ASN A 48 25.171 30.881 -4.469 1.00 0.00 C +ATOM 695 OD1 ASN A 48 26.134 31.597 -4.193 1.00 0.00 O +ATOM 696 ND2 ASN A 48 23.977 31.039 -3.910 1.00 0.00 N +ATOM 697 H ASN A 48 23.210 28.547 -4.368 1.00 0.00 H +ATOM 698 HA ASN A 48 25.787 27.674 -5.460 1.00 0.00 H +ATOM 699 HB2 ASN A 48 26.236 29.879 -6.006 1.00 0.00 H +ATOM 700 HB3 ASN A 48 24.485 29.834 -6.182 1.00 0.00 H +ATOM 701 HD21 ASN A 48 23.256 30.431 -4.178 1.00 0.00 H +ATOM 702 HD22 ASN A 48 23.865 31.758 -3.254 1.00 0.00 H +ATOM 703 N ASP A 49 27.182 28.984 -3.461 1.00 0.00 N +ATOM 704 CA ASP A 49 27.961 29.097 -2.233 1.00 0.00 C +ATOM 705 C ASP A 49 27.200 29.893 -1.178 1.00 0.00 C +ATOM 706 O ASP A 49 27.060 29.453 -0.037 1.00 0.00 O +ATOM 707 CB ASP A 49 29.308 29.762 -2.518 1.00 0.00 C +ATOM 708 CG ASP A 49 30.309 28.802 -3.131 1.00 0.00 C +ATOM 709 OD1 ASP A 49 30.563 27.742 -2.523 1.00 0.00 O +ATOM 710 OD2 ASP A 49 30.840 29.112 -4.218 1.00 0.00 O +ATOM 711 H ASP A 49 27.557 29.329 -4.298 1.00 0.00 H +ATOM 712 HA ASP A 49 28.134 28.099 -1.858 1.00 0.00 H +ATOM 713 HB2 ASP A 49 29.159 30.583 -3.204 1.00 0.00 H +ATOM 714 HB3 ASP A 49 29.718 30.140 -1.593 1.00 0.00 H +ATOM 715 N GLU A 50 26.711 31.066 -1.567 1.00 0.00 N +ATOM 716 CA GLU A 50 25.966 31.924 -0.653 1.00 0.00 C +ATOM 717 C GLU A 50 24.851 31.144 0.038 1.00 0.00 C +ATOM 718 O GLU A 50 24.663 31.250 1.249 1.00 0.00 O +ATOM 719 CB GLU A 50 25.378 33.119 -1.405 1.00 0.00 C +ATOM 720 CG GLU A 50 26.116 34.422 -1.151 1.00 0.00 C +ATOM 721 CD GLU A 50 27.623 34.250 -1.157 1.00 0.00 C +ATOM 722 OE1 GLU A 50 28.202 34.145 -2.259 1.00 0.00 O +ATOM 723 OE2 GLU A 50 28.222 34.220 -0.062 1.00 0.00 O +ATOM 724 H GLU A 50 26.855 31.362 -2.490 1.00 0.00 H +ATOM 725 HA GLU A 50 26.654 32.285 0.097 1.00 0.00 H +ATOM 726 HB2 GLU A 50 25.408 32.913 -2.465 1.00 0.00 H +ATOM 727 HB3 GLU A 50 24.349 33.248 -1.102 1.00 0.00 H +ATOM 728 HG2 GLU A 50 25.847 35.130 -1.920 1.00 0.00 H +ATOM 729 HG3 GLU A 50 25.817 34.809 -0.187 1.00 0.00 H +ATOM 730 N GLY A 51 24.113 30.360 -0.743 1.00 0.00 N +ATOM 731 CA GLY A 51 23.026 29.575 -0.190 1.00 0.00 C +ATOM 732 C GLY A 51 21.671 30.014 -0.709 1.00 0.00 C +ATOM 733 O GLY A 51 20.666 29.911 -0.005 1.00 0.00 O +ATOM 734 H GLY A 51 24.309 30.316 -1.702 1.00 0.00 H +ATOM 735 HA2 GLY A 51 23.179 28.537 -0.446 1.00 0.00 H +ATOM 736 HA3 GLY A 51 23.035 29.675 0.886 1.00 0.00 H +ATOM 737 N ILE A 52 21.643 30.506 -1.943 1.00 0.00 N +ATOM 738 CA ILE A 52 20.402 30.962 -2.555 1.00 0.00 C +ATOM 739 C ILE A 52 20.076 30.154 -3.807 1.00 0.00 C +ATOM 740 O ILE A 52 20.969 29.788 -4.571 1.00 0.00 O +ATOM 741 CB ILE A 52 20.473 32.456 -2.927 1.00 0.00 C +ATOM 742 CG1 ILE A 52 20.705 33.304 -1.675 1.00 0.00 C +ATOM 743 CG2 ILE A 52 19.199 32.886 -3.637 1.00 0.00 C +ATOM 744 CD1 ILE A 52 19.605 33.174 -0.644 1.00 0.00 C +ATOM 745 H ILE A 52 22.477 30.562 -2.454 1.00 0.00 H +ATOM 746 HA ILE A 52 19.607 30.828 -1.836 1.00 0.00 H +ATOM 747 HB ILE A 52 21.300 32.596 -3.606 1.00 0.00 H +ATOM 748 HG12 ILE A 52 21.631 33.004 -1.210 1.00 0.00 H +ATOM 749 HG13 ILE A 52 20.771 34.344 -1.961 1.00 0.00 H +ATOM 750 HG21 ILE A 52 19.105 33.961 -3.587 1.00 0.00 H +ATOM 751 HG22 ILE A 52 19.241 32.577 -4.670 1.00 0.00 H +ATOM 752 HG23 ILE A 52 18.347 32.428 -3.158 1.00 0.00 H +ATOM 753 HD11 ILE A 52 19.794 33.854 0.173 1.00 0.00 H +ATOM 754 HD12 ILE A 52 18.655 33.411 -1.099 1.00 0.00 H +ATOM 755 HD13 ILE A 52 19.581 32.160 -0.270 1.00 0.00 H +ATOM 756 N ILE A 53 18.792 29.881 -4.010 1.00 0.00 N +ATOM 757 CA ILE A 53 18.348 29.119 -5.170 1.00 0.00 C +ATOM 758 C ILE A 53 18.484 29.937 -6.450 1.00 0.00 C +ATOM 759 O ILE A 53 17.867 30.992 -6.592 1.00 0.00 O +ATOM 760 CB ILE A 53 16.884 28.664 -5.019 1.00 0.00 C +ATOM 761 CG1 ILE A 53 16.734 27.758 -3.795 1.00 0.00 C +ATOM 762 CG2 ILE A 53 16.420 27.945 -6.277 1.00 0.00 C +ATOM 763 CD1 ILE A 53 17.474 26.444 -3.921 1.00 0.00 C +ATOM 764 H ILE A 53 18.127 30.201 -3.365 1.00 0.00 H +ATOM 765 HA ILE A 53 18.971 28.240 -5.250 1.00 0.00 H +ATOM 766 HB ILE A 53 16.270 29.541 -4.886 1.00 0.00 H +ATOM 767 HG12 ILE A 53 17.114 28.270 -2.926 1.00 0.00 H +ATOM 768 HG13 ILE A 53 15.686 27.537 -3.647 1.00 0.00 H +ATOM 769 HG21 ILE A 53 17.245 27.393 -6.701 1.00 0.00 H +ATOM 770 HG22 ILE A 53 15.621 27.263 -6.027 1.00 0.00 H +ATOM 771 HG23 ILE A 53 16.064 28.669 -6.994 1.00 0.00 H +ATOM 772 HD11 ILE A 53 18.141 26.487 -4.769 1.00 0.00 H +ATOM 773 HD12 ILE A 53 18.043 26.264 -3.022 1.00 0.00 H +ATOM 774 HD13 ILE A 53 16.763 25.643 -4.064 1.00 0.00 H +ATOM 775 N GLU A 54 19.294 29.441 -7.380 1.00 0.00 N +ATOM 776 CA GLU A 54 19.510 30.126 -8.649 1.00 0.00 C +ATOM 777 C GLU A 54 18.846 29.369 -9.795 1.00 0.00 C +ATOM 778 O GLU A 54 18.522 29.950 -10.831 1.00 0.00 O +ATOM 779 CB GLU A 54 21.008 30.279 -8.923 1.00 0.00 C +ATOM 780 CG GLU A 54 21.326 30.683 -10.353 1.00 0.00 C +ATOM 781 CD GLU A 54 21.607 29.491 -11.247 1.00 0.00 C +ATOM 782 OE1 GLU A 54 22.238 28.526 -10.768 1.00 0.00 O +ATOM 783 OE2 GLU A 54 21.196 29.523 -12.426 1.00 0.00 O +ATOM 784 H GLU A 54 19.759 28.595 -7.208 1.00 0.00 H +ATOM 785 HA GLU A 54 19.065 31.107 -8.576 1.00 0.00 H +ATOM 786 HB2 GLU A 54 21.408 31.031 -8.260 1.00 0.00 H +ATOM 787 HB3 GLU A 54 21.496 29.337 -8.721 1.00 0.00 H +ATOM 788 HG2 GLU A 54 20.485 31.225 -10.756 1.00 0.00 H +ATOM 789 HG3 GLU A 54 22.196 31.323 -10.347 1.00 0.00 H +ATOM 790 N ASP A 55 18.648 28.070 -9.602 1.00 0.00 N +ATOM 791 CA ASP A 55 18.023 27.232 -10.619 1.00 0.00 C +ATOM 792 C ASP A 55 17.026 26.265 -9.988 1.00 0.00 C +ATOM 793 O ASP A 55 17.237 25.777 -8.878 1.00 0.00 O +ATOM 794 CB ASP A 55 19.087 26.454 -11.394 1.00 0.00 C +ATOM 795 CG ASP A 55 19.118 26.824 -12.864 1.00 0.00 C +ATOM 796 OD1 ASP A 55 18.046 27.146 -13.418 1.00 0.00 O +ATOM 797 OD2 ASP A 55 20.215 26.790 -13.462 1.00 0.00 O +ATOM 798 H ASP A 55 18.928 27.664 -8.755 1.00 0.00 H +ATOM 799 HA ASP A 55 17.494 27.879 -11.302 1.00 0.00 H +ATOM 800 HB2 ASP A 55 20.058 26.663 -10.969 1.00 0.00 H +ATOM 801 HB3 ASP A 55 18.882 25.397 -11.312 1.00 0.00 H +ATOM 802 N ALA A 56 15.940 25.992 -10.704 1.00 0.00 N +ATOM 803 CA ALA A 56 14.911 25.083 -10.215 1.00 0.00 C +ATOM 804 C ALA A 56 14.334 24.245 -11.351 1.00 0.00 C +ATOM 805 O ALA A 56 13.794 24.782 -12.318 1.00 0.00 O +ATOM 806 CB ALA A 56 13.806 25.862 -9.517 1.00 0.00 C +ATOM 807 H ALA A 56 15.828 26.413 -11.582 1.00 0.00 H +ATOM 808 HA ALA A 56 15.366 24.424 -9.489 1.00 0.00 H +ATOM 809 HB1 ALA A 56 13.354 25.241 -8.757 1.00 0.00 H +ATOM 810 HB2 ALA A 56 14.223 26.746 -9.058 1.00 0.00 H +ATOM 811 HB3 ALA A 56 13.057 26.150 -10.239 1.00 0.00 H +ATOM 812 N ARG A 57 14.451 22.927 -11.226 1.00 0.00 N +ATOM 813 CA ARG A 57 13.942 22.016 -12.244 1.00 0.00 C +ATOM 814 C ARG A 57 12.804 21.164 -11.691 1.00 0.00 C +ATOM 815 O ARG A 57 12.484 21.231 -10.503 1.00 0.00 O +ATOM 816 CB ARG A 57 15.065 21.113 -12.758 1.00 0.00 C +ATOM 817 CG ARG A 57 15.630 21.548 -14.100 1.00 0.00 C +ATOM 818 CD ARG A 57 14.570 21.509 -15.190 1.00 0.00 C +ATOM 819 NE ARG A 57 14.019 22.833 -15.465 1.00 0.00 N +ATOM 820 CZ ARG A 57 12.894 23.035 -16.142 1.00 0.00 C +ATOM 821 NH1 ARG A 57 12.204 22.004 -16.610 1.00 0.00 N +ATOM 822 NH2 ARG A 57 12.457 24.270 -16.352 1.00 0.00 N +ATOM 823 H ARG A 57 14.891 22.559 -10.432 1.00 0.00 H +ATOM 824 HA ARG A 57 13.566 22.610 -13.063 1.00 0.00 H +ATOM 825 HB2 ARG A 57 15.870 21.113 -12.037 1.00 0.00 H +ATOM 826 HB3 ARG A 57 14.684 20.108 -12.861 1.00 0.00 H +ATOM 827 HG2 ARG A 57 16.004 22.558 -14.013 1.00 0.00 H +ATOM 828 HG3 ARG A 57 16.439 20.886 -14.372 1.00 0.00 H +ATOM 829 HD2 ARG A 57 15.016 21.121 -16.093 1.00 0.00 H +ATOM 830 HD3 ARG A 57 13.772 20.855 -14.873 1.00 0.00 H +ATOM 831 HE ARG A 57 14.513 23.609 -15.128 1.00 0.00 H +ATOM 832 HH11 ARG A 57 12.531 21.072 -16.452 1.00 0.00 H +ATOM 833 HH12 ARG A 57 11.357 22.158 -17.118 1.00 0.00 H +ATOM 834 HH21 ARG A 57 12.974 25.050 -16.000 1.00 0.00 H +ATOM 835 HH22 ARG A 57 11.610 24.421 -16.861 1.00 0.00 H +ATOM 836 N PHE A 58 12.194 20.363 -12.559 1.00 0.00 N +ATOM 837 CA PHE A 58 11.090 19.499 -12.158 1.00 0.00 C +ATOM 838 C PHE A 58 10.881 18.378 -13.172 1.00 0.00 C +ATOM 839 O PHE A 58 10.997 18.588 -14.379 1.00 0.00 O +ATOM 840 CB PHE A 58 9.804 20.315 -12.010 1.00 0.00 C +ATOM 841 CG PHE A 58 9.403 21.035 -13.266 1.00 0.00 C +ATOM 842 CD1 PHE A 58 8.607 20.411 -14.213 1.00 0.00 C +ATOM 843 CD2 PHE A 58 9.822 22.335 -13.499 1.00 0.00 C +ATOM 844 CE1 PHE A 58 8.237 21.071 -15.370 1.00 0.00 C +ATOM 845 CE2 PHE A 58 9.454 23.000 -14.654 1.00 0.00 C +ATOM 846 CZ PHE A 58 8.660 22.367 -15.590 1.00 0.00 C +ATOM 847 H PHE A 58 12.494 20.354 -13.492 1.00 0.00 H +ATOM 848 HA PHE A 58 11.341 19.063 -11.204 1.00 0.00 H +ATOM 849 HB2 PHE A 58 8.996 19.654 -11.735 1.00 0.00 H +ATOM 850 HB3 PHE A 58 9.941 21.052 -11.233 1.00 0.00 H +ATOM 851 HD1 PHE A 58 8.274 19.398 -14.042 1.00 0.00 H +ATOM 852 HD2 PHE A 58 10.443 22.831 -12.767 1.00 0.00 H +ATOM 853 HE1 PHE A 58 7.615 20.574 -16.100 1.00 0.00 H +ATOM 854 HE2 PHE A 58 9.787 24.013 -14.823 1.00 0.00 H +ATOM 855 HZ PHE A 58 8.373 22.884 -16.493 1.00 0.00 H +ATOM 856 N LYS A 59 10.572 17.187 -12.671 1.00 0.00 N +ATOM 857 CA LYS A 59 10.346 16.031 -13.531 1.00 0.00 C +ATOM 858 C LYS A 59 8.933 15.485 -13.347 1.00 0.00 C +ATOM 859 O LYS A 59 8.362 15.565 -12.259 1.00 0.00 O +ATOM 860 CB LYS A 59 11.371 14.936 -13.228 1.00 0.00 C +ATOM 861 CG LYS A 59 12.522 14.889 -14.218 1.00 0.00 C +ATOM 862 CD LYS A 59 12.273 13.868 -15.315 1.00 0.00 C +ATOM 863 CE LYS A 59 13.573 13.418 -15.963 1.00 0.00 C +ATOM 864 NZ LYS A 59 13.345 12.821 -17.308 1.00 0.00 N +ATOM 865 H LYS A 59 10.494 17.082 -11.700 1.00 0.00 H +ATOM 866 HA LYS A 59 10.465 16.351 -14.555 1.00 0.00 H +ATOM 867 HB2 LYS A 59 11.778 15.103 -12.242 1.00 0.00 H +ATOM 868 HB3 LYS A 59 10.871 13.977 -13.244 1.00 0.00 H +ATOM 869 HG2 LYS A 59 12.637 15.864 -14.669 1.00 0.00 H +ATOM 870 HG3 LYS A 59 13.428 14.625 -13.691 1.00 0.00 H +ATOM 871 HD2 LYS A 59 11.780 13.007 -14.889 1.00 0.00 H +ATOM 872 HD3 LYS A 59 11.639 14.310 -16.070 1.00 0.00 H +ATOM 873 HE2 LYS A 59 14.225 14.272 -16.064 1.00 0.00 H +ATOM 874 HE3 LYS A 59 14.041 12.681 -15.327 1.00 0.00 H +ATOM 875 HZ1 LYS A 59 12.366 12.992 -17.613 1.00 0.00 H +ATOM 876 HZ2 LYS A 59 13.512 11.795 -17.277 1.00 0.00 H +ATOM 877 HZ3 LYS A 59 13.992 13.246 -18.003 1.00 0.00 H +ATOM 878 N THR A 60 8.375 14.928 -14.418 1.00 0.00 N +ATOM 879 CA THR A 60 7.030 14.368 -14.374 1.00 0.00 C +ATOM 880 C THR A 60 7.048 12.933 -13.860 1.00 0.00 C +ATOM 881 O THR A 60 7.987 12.181 -14.122 1.00 0.00 O +ATOM 882 CB THR A 60 6.366 14.395 -15.764 1.00 0.00 C +ATOM 883 OG1 THR A 60 6.691 15.615 -16.439 1.00 0.00 O +ATOM 884 CG2 THR A 60 4.855 14.263 -15.644 1.00 0.00 C +ATOM 885 H THR A 60 8.881 14.894 -15.256 1.00 0.00 H +ATOM 886 HA THR A 60 6.438 14.974 -13.704 1.00 0.00 H +ATOM 887 HB THR A 60 6.740 13.562 -16.341 1.00 0.00 H +ATOM 888 HG1 THR A 60 6.041 15.784 -17.126 1.00 0.00 H +ATOM 889 HG21 THR A 60 4.474 15.050 -15.010 1.00 0.00 H +ATOM 890 HG22 THR A 60 4.611 13.303 -15.213 1.00 0.00 H +ATOM 891 HG23 THR A 60 4.408 14.342 -16.623 1.00 0.00 H +ATOM 892 N TYR A 61 6.005 12.560 -13.127 1.00 0.00 N +ATOM 893 CA TYR A 61 5.902 11.215 -12.574 1.00 0.00 C +ATOM 894 C TYR A 61 4.534 10.991 -11.937 1.00 0.00 C +ATOM 895 O TYR A 61 4.293 11.393 -10.799 1.00 0.00 O +ATOM 896 CB TYR A 61 7.003 10.980 -11.539 1.00 0.00 C +ATOM 897 CG TYR A 61 7.609 9.596 -11.601 1.00 0.00 C +ATOM 898 CD1 TYR A 61 8.231 9.140 -12.757 1.00 0.00 C +ATOM 899 CD2 TYR A 61 7.557 8.744 -10.505 1.00 0.00 C +ATOM 900 CE1 TYR A 61 8.785 7.876 -12.818 1.00 0.00 C +ATOM 901 CE2 TYR A 61 8.109 7.479 -10.557 1.00 0.00 C +ATOM 902 CZ TYR A 61 8.722 7.049 -11.716 1.00 0.00 C +ATOM 903 OH TYR A 61 9.271 5.789 -11.773 1.00 0.00 O +ATOM 904 H TYR A 61 5.288 13.204 -12.952 1.00 0.00 H +ATOM 905 HA TYR A 61 6.028 10.512 -13.384 1.00 0.00 H +ATOM 906 HB2 TYR A 61 7.796 11.695 -11.698 1.00 0.00 H +ATOM 907 HB3 TYR A 61 6.593 11.120 -10.549 1.00 0.00 H +ATOM 908 HD1 TYR A 61 8.279 9.790 -13.618 1.00 0.00 H +ATOM 909 HD2 TYR A 61 7.076 9.083 -9.599 1.00 0.00 H +ATOM 910 HE1 TYR A 61 9.264 7.539 -13.726 1.00 0.00 H +ATOM 911 HE2 TYR A 61 8.059 6.831 -9.694 1.00 0.00 H +ATOM 912 HH TYR A 61 9.434 5.471 -10.882 1.00 0.00 H +ATOM 913 N GLY A 62 3.640 10.345 -12.680 1.00 0.00 N +ATOM 914 CA GLY A 62 2.307 10.078 -12.173 1.00 0.00 C +ATOM 915 C GLY A 62 1.239 10.237 -13.236 1.00 0.00 C +ATOM 916 O GLY A 62 1.353 11.091 -14.116 1.00 0.00 O +ATOM 917 H GLY A 62 3.889 10.048 -13.581 1.00 0.00 H +ATOM 918 HA2 GLY A 62 2.275 9.068 -11.793 1.00 0.00 H +ATOM 919 HA3 GLY A 62 2.099 10.763 -11.364 1.00 0.00 H +ATOM 920 N CYS A 63 0.201 9.412 -13.157 1.00 0.00 N +ATOM 921 CA CYS A 63 -0.891 9.464 -14.123 1.00 0.00 C +ATOM 922 C CYS A 63 -1.931 10.502 -13.713 1.00 0.00 C +ATOM 923 O CYS A 63 -2.651 10.321 -12.732 1.00 0.00 O +ATOM 924 CB CYS A 63 -1.550 8.090 -14.253 1.00 0.00 C +ATOM 925 SG CYS A 63 -2.977 8.057 -15.362 1.00 0.00 S +ATOM 926 H CYS A 63 0.167 8.753 -12.433 1.00 0.00 H +ATOM 927 HA CYS A 63 -0.475 9.747 -15.078 1.00 0.00 H +ATOM 928 HB2 CYS A 63 -0.824 7.386 -14.633 1.00 0.00 H +ATOM 929 HB3 CYS A 63 -1.881 7.764 -13.279 1.00 0.00 H +ATOM 930 HG CYS A 63 -3.033 6.858 -15.922 1.00 0.00 H +ATOM 931 N GLY A 64 -2.002 11.592 -14.471 1.00 0.00 N +ATOM 932 CA GLY A 64 -2.954 12.645 -14.170 1.00 0.00 C +ATOM 933 C GLY A 64 -2.715 13.896 -14.992 1.00 0.00 C +ATOM 934 O GLY A 64 -1.783 13.951 -15.794 1.00 0.00 O +ATOM 935 H GLY A 64 -1.402 11.683 -15.241 1.00 0.00 H +ATOM 936 HA2 GLY A 64 -3.951 12.281 -14.369 1.00 0.00 H +ATOM 937 HA3 GLY A 64 -2.876 12.896 -13.122 1.00 0.00 H +ATOM 938 N SER A 65 -3.560 14.903 -14.793 1.00 0.00 N +ATOM 939 CA SER A 65 -3.440 16.158 -15.526 1.00 0.00 C +ATOM 940 C SER A 65 -2.216 16.942 -15.062 1.00 0.00 C +ATOM 941 O SER A 65 -1.627 16.639 -14.026 1.00 0.00 O +ATOM 942 CB SER A 65 -4.702 17.003 -15.343 1.00 0.00 C +ATOM 943 OG SER A 65 -5.865 16.194 -15.362 1.00 0.00 O +ATOM 944 H SER A 65 -4.283 14.798 -14.140 1.00 0.00 H +ATOM 945 HA SER A 65 -3.325 15.920 -16.573 1.00 0.00 H +ATOM 946 HB2 SER A 65 -4.652 17.519 -14.397 1.00 0.00 H +ATOM 947 HB3 SER A 65 -4.767 17.725 -16.144 1.00 0.00 H +ATOM 948 HG SER A 65 -6.461 16.473 -14.664 1.00 0.00 H +ATOM 949 N ALA A 66 -1.841 17.954 -15.839 1.00 0.00 N +ATOM 950 CA ALA A 66 -0.690 18.784 -15.508 1.00 0.00 C +ATOM 951 C ALA A 66 -0.806 19.347 -14.095 1.00 0.00 C +ATOM 952 O ALA A 66 -1.711 20.129 -13.802 1.00 0.00 O +ATOM 953 CB ALA A 66 -0.545 19.913 -16.517 1.00 0.00 C +ATOM 954 H ALA A 66 -2.351 18.147 -16.652 1.00 0.00 H +ATOM 955 HA ALA A 66 0.195 18.167 -15.566 1.00 0.00 H +ATOM 956 HB1 ALA A 66 -0.604 19.510 -17.518 1.00 0.00 H +ATOM 957 HB2 ALA A 66 -1.339 20.631 -16.371 1.00 0.00 H +ATOM 958 HB3 ALA A 66 0.409 20.399 -16.380 1.00 0.00 H +ATOM 959 N ILE A 67 0.113 18.943 -13.225 1.00 0.00 N +ATOM 960 CA ILE A 67 0.112 19.408 -11.843 1.00 0.00 C +ATOM 961 C ILE A 67 0.686 20.817 -11.737 1.00 0.00 C +ATOM 962 O ILE A 67 1.861 21.043 -12.025 1.00 0.00 O +ATOM 963 CB ILE A 67 0.921 18.466 -10.932 1.00 0.00 C +ATOM 964 CG1 ILE A 67 0.495 17.014 -11.157 1.00 0.00 C +ATOM 965 CG2 ILE A 67 0.740 18.856 -9.473 1.00 0.00 C +ATOM 966 CD1 ILE A 67 -0.942 16.738 -10.774 1.00 0.00 C +ATOM 967 H ILE A 67 0.808 18.319 -13.519 1.00 0.00 H +ATOM 968 HA ILE A 67 -0.912 19.421 -11.497 1.00 0.00 H +ATOM 969 HB ILE A 67 1.966 18.570 -11.181 1.00 0.00 H +ATOM 970 HG12 ILE A 67 0.612 16.768 -12.201 1.00 0.00 H +ATOM 971 HG13 ILE A 67 1.127 16.366 -10.567 1.00 0.00 H +ATOM 972 HG21 ILE A 67 -0.311 18.998 -9.266 1.00 0.00 H +ATOM 973 HG22 ILE A 67 1.127 18.072 -8.840 1.00 0.00 H +ATOM 974 HG23 ILE A 67 1.272 19.774 -9.277 1.00 0.00 H +ATOM 975 HD11 ILE A 67 -1.010 16.602 -9.704 1.00 0.00 H +ATOM 976 HD12 ILE A 67 -1.560 17.571 -11.072 1.00 0.00 H +ATOM 977 HD13 ILE A 67 -1.281 15.841 -11.272 1.00 0.00 H +ATOM 978 N ALA A 68 -0.151 21.761 -11.319 1.00 0.00 N +ATOM 979 CA ALA A 68 0.274 23.147 -11.171 1.00 0.00 C +ATOM 980 C ALA A 68 0.975 23.366 -9.834 1.00 0.00 C +ATOM 981 O ALA A 68 1.826 24.246 -9.706 1.00 0.00 O +ATOM 982 CB ALA A 68 -0.919 24.082 -11.302 1.00 0.00 C +ATOM 983 H ALA A 68 -1.076 21.519 -11.104 1.00 0.00 H +ATOM 984 HA ALA A 68 0.966 23.372 -11.970 1.00 0.00 H +ATOM 985 HB1 ALA A 68 -0.576 25.064 -11.594 1.00 0.00 H +ATOM 986 HB2 ALA A 68 -1.596 23.699 -12.052 1.00 0.00 H +ATOM 987 HB3 ALA A 68 -1.432 24.147 -10.354 1.00 0.00 H +ATOM 988 N SER A 69 0.612 22.560 -8.841 1.00 0.00 N +ATOM 989 CA SER A 69 1.203 22.669 -7.513 1.00 0.00 C +ATOM 990 C SER A 69 2.723 22.548 -7.583 1.00 0.00 C +ATOM 991 O SER A 69 3.439 23.098 -6.747 1.00 0.00 O +ATOM 992 CB SER A 69 0.636 21.590 -6.589 1.00 0.00 C +ATOM 993 OG SER A 69 1.233 20.331 -6.849 1.00 0.00 O +ATOM 994 H SER A 69 -0.072 21.878 -9.006 1.00 0.00 H +ATOM 995 HA SER A 69 0.949 23.641 -7.116 1.00 0.00 H +ATOM 996 HB2 SER A 69 0.830 21.861 -5.562 1.00 0.00 H +ATOM 997 HB3 SER A 69 -0.430 21.509 -6.746 1.00 0.00 H +ATOM 998 HG SER A 69 0.574 19.639 -6.759 1.00 0.00 H +ATOM 999 N SER A 70 3.206 21.825 -8.588 1.00 0.00 N +ATOM 1000 CA SER A 70 4.640 21.627 -8.766 1.00 0.00 C +ATOM 1001 C SER A 70 5.255 22.785 -9.546 1.00 0.00 C +ATOM 1002 O SER A 70 6.300 23.316 -9.170 1.00 0.00 O +ATOM 1003 CB SER A 70 4.908 20.308 -9.494 1.00 0.00 C +ATOM 1004 OG SER A 70 4.791 19.206 -8.611 1.00 0.00 O +ATOM 1005 H SER A 70 2.584 21.412 -9.222 1.00 0.00 H +ATOM 1006 HA SER A 70 5.094 21.587 -7.787 1.00 0.00 H +ATOM 1007 HB2 SER A 70 4.194 20.190 -10.294 1.00 0.00 H +ATOM 1008 HB3 SER A 70 5.908 20.323 -9.903 1.00 0.00 H +ATOM 1009 HG SER A 70 4.479 18.439 -9.096 1.00 0.00 H +ATOM 1010 N SER A 71 4.598 23.173 -10.635 1.00 0.00 N +ATOM 1011 CA SER A 71 5.081 24.265 -11.471 1.00 0.00 C +ATOM 1012 C SER A 71 5.055 25.586 -10.707 1.00 0.00 C +ATOM 1013 O SER A 71 5.776 26.526 -11.045 1.00 0.00 O +ATOM 1014 CB SER A 71 4.231 24.379 -12.738 1.00 0.00 C +ATOM 1015 OG SER A 71 4.777 23.602 -13.790 1.00 0.00 O +ATOM 1016 H SER A 71 3.770 22.710 -10.882 1.00 0.00 H +ATOM 1017 HA SER A 71 6.100 24.044 -11.750 1.00 0.00 H +ATOM 1018 HB2 SER A 71 3.231 24.030 -12.531 1.00 0.00 H +ATOM 1019 HB3 SER A 71 4.194 25.413 -13.052 1.00 0.00 H +ATOM 1020 HG SER A 71 4.774 24.114 -14.602 1.00 0.00 H +ATOM 1021 N LEU A 72 4.220 25.650 -9.677 1.00 0.00 N +ATOM 1022 CA LEU A 72 4.098 26.855 -8.864 1.00 0.00 C +ATOM 1023 C LEU A 72 5.216 26.928 -7.828 1.00 0.00 C +ATOM 1024 O LEU A 72 5.881 27.954 -7.689 1.00 0.00 O +ATOM 1025 CB LEU A 72 2.738 26.888 -8.165 1.00 0.00 C +ATOM 1026 CG LEU A 72 2.548 27.984 -7.116 1.00 0.00 C +ATOM 1027 CD1 LEU A 72 2.339 29.333 -7.786 1.00 0.00 C +ATOM 1028 CD2 LEU A 72 1.377 27.653 -6.204 1.00 0.00 C +ATOM 1029 H LEU A 72 3.671 24.869 -9.456 1.00 0.00 H +ATOM 1030 HA LEU A 72 4.177 27.707 -9.521 1.00 0.00 H +ATOM 1031 HB2 LEU A 72 1.981 27.020 -8.922 1.00 0.00 H +ATOM 1032 HB3 LEU A 72 2.594 25.934 -7.677 1.00 0.00 H +ATOM 1033 HG LEU A 72 3.440 28.049 -6.508 1.00 0.00 H +ATOM 1034 HD11 LEU A 72 2.427 30.118 -7.051 1.00 0.00 H +ATOM 1035 HD12 LEU A 72 1.355 29.365 -8.231 1.00 0.00 H +ATOM 1036 HD13 LEU A 72 3.085 29.473 -8.555 1.00 0.00 H +ATOM 1037 HD21 LEU A 72 1.298 28.404 -5.432 1.00 0.00 H +ATOM 1038 HD22 LEU A 72 1.537 26.686 -5.749 1.00 0.00 H +ATOM 1039 HD23 LEU A 72 0.465 27.633 -6.781 1.00 0.00 H +ATOM 1040 N VAL A 73 5.419 25.831 -7.106 1.00 0.00 N +ATOM 1041 CA VAL A 73 6.459 25.769 -6.086 1.00 0.00 C +ATOM 1042 C VAL A 73 7.845 25.919 -6.703 1.00 0.00 C +ATOM 1043 O VAL A 73 8.786 26.363 -6.045 1.00 0.00 O +ATOM 1044 CB VAL A 73 6.399 24.444 -5.302 1.00 0.00 C +ATOM 1045 CG1 VAL A 73 5.112 24.359 -4.495 1.00 0.00 C +ATOM 1046 CG2 VAL A 73 6.523 23.260 -6.249 1.00 0.00 C +ATOM 1047 H VAL A 73 4.857 25.044 -7.263 1.00 0.00 H +ATOM 1048 HA VAL A 73 6.295 26.581 -5.392 1.00 0.00 H +ATOM 1049 HB VAL A 73 7.231 24.418 -4.615 1.00 0.00 H +ATOM 1050 HG11 VAL A 73 5.285 24.746 -3.501 1.00 0.00 H +ATOM 1051 HG12 VAL A 73 4.343 24.942 -4.980 1.00 0.00 H +ATOM 1052 HG13 VAL A 73 4.796 23.328 -4.429 1.00 0.00 H +ATOM 1053 HG21 VAL A 73 5.713 23.284 -6.963 1.00 0.00 H +ATOM 1054 HG22 VAL A 73 7.466 23.314 -6.772 1.00 0.00 H +ATOM 1055 HG23 VAL A 73 6.478 22.341 -5.684 1.00 0.00 H +ATOM 1056 N THR A 74 7.964 25.544 -7.974 1.00 0.00 N +ATOM 1057 CA THR A 74 9.235 25.636 -8.681 1.00 0.00 C +ATOM 1058 C THR A 74 9.582 27.085 -9.002 1.00 0.00 C +ATOM 1059 O THR A 74 10.690 27.544 -8.724 1.00 0.00 O +ATOM 1060 CB THR A 74 9.209 24.824 -9.990 1.00 0.00 C +ATOM 1061 OG1 THR A 74 7.892 24.842 -10.551 1.00 0.00 O +ATOM 1062 CG2 THR A 74 9.642 23.387 -9.744 1.00 0.00 C +ATOM 1063 H THR A 74 7.178 25.198 -8.444 1.00 0.00 H +ATOM 1064 HA THR A 74 10.003 25.225 -8.042 1.00 0.00 H +ATOM 1065 HB THR A 74 9.897 25.276 -10.690 1.00 0.00 H +ATOM 1066 HG1 THR A 74 7.851 25.499 -11.250 1.00 0.00 H +ATOM 1067 HG21 THR A 74 10.414 23.117 -10.449 1.00 0.00 H +ATOM 1068 HG22 THR A 74 8.794 22.729 -9.869 1.00 0.00 H +ATOM 1069 HG23 THR A 74 10.024 23.294 -8.738 1.00 0.00 H +ATOM 1070 N GLU A 75 8.628 27.801 -9.589 1.00 0.00 N +ATOM 1071 CA GLU A 75 8.835 29.200 -9.948 1.00 0.00 C +ATOM 1072 C GLU A 75 9.024 30.059 -8.701 1.00 0.00 C +ATOM 1073 O GLU A 75 9.572 31.159 -8.770 1.00 0.00 O +ATOM 1074 CB GLU A 75 7.651 29.720 -10.765 1.00 0.00 C +ATOM 1075 CG GLU A 75 6.308 29.531 -10.079 1.00 0.00 C +ATOM 1076 CD GLU A 75 5.152 30.062 -10.904 1.00 0.00 C +ATOM 1077 OE1 GLU A 75 4.790 29.411 -11.906 1.00 0.00 O +ATOM 1078 OE2 GLU A 75 4.609 31.128 -10.547 1.00 0.00 O +ATOM 1079 H GLU A 75 7.766 27.380 -9.786 1.00 0.00 H +ATOM 1080 HA GLU A 75 9.729 29.259 -10.550 1.00 0.00 H +ATOM 1081 HB2 GLU A 75 7.793 30.775 -10.950 1.00 0.00 H +ATOM 1082 HB3 GLU A 75 7.625 29.198 -11.710 1.00 0.00 H +ATOM 1083 HG2 GLU A 75 6.152 28.477 -9.905 1.00 0.00 H +ATOM 1084 HG3 GLU A 75 6.325 30.052 -9.133 1.00 0.00 H +ATOM 1085 N TRP A 76 8.566 29.549 -7.564 1.00 0.00 N +ATOM 1086 CA TRP A 76 8.683 30.270 -6.301 1.00 0.00 C +ATOM 1087 C TRP A 76 10.078 30.104 -5.708 1.00 0.00 C +ATOM 1088 O TRP A 76 10.692 31.073 -5.261 1.00 0.00 O +ATOM 1089 CB TRP A 76 7.631 29.775 -5.308 1.00 0.00 C +ATOM 1090 CG TRP A 76 6.504 30.742 -5.105 1.00 0.00 C +ATOM 1091 CD1 TRP A 76 5.168 30.459 -5.117 1.00 0.00 C +ATOM 1092 CD2 TRP A 76 6.615 32.149 -4.862 1.00 0.00 C +ATOM 1093 NE1 TRP A 76 4.442 31.604 -4.896 1.00 0.00 N +ATOM 1094 CE2 TRP A 76 5.307 32.655 -4.736 1.00 0.00 C +ATOM 1095 CE3 TRP A 76 7.693 33.029 -4.736 1.00 0.00 C +ATOM 1096 CZ2 TRP A 76 5.050 34.001 -4.492 1.00 0.00 C +ATOM 1097 CZ3 TRP A 76 7.436 34.366 -4.494 1.00 0.00 C +ATOM 1098 CH2 TRP A 76 6.124 34.841 -4.373 1.00 0.00 C +ATOM 1099 H TRP A 76 8.138 28.667 -7.573 1.00 0.00 H +ATOM 1100 HA TRP A 76 8.512 31.317 -6.501 1.00 0.00 H +ATOM 1101 HB2 TRP A 76 7.212 28.847 -5.669 1.00 0.00 H +ATOM 1102 HB3 TRP A 76 8.102 29.605 -4.351 1.00 0.00 H +ATOM 1103 HD1 TRP A 76 4.757 29.474 -5.280 1.00 0.00 H +ATOM 1104 HE1 TRP A 76 3.464 31.660 -4.858 1.00 0.00 H +ATOM 1105 HE3 TRP A 76 8.712 32.682 -4.826 1.00 0.00 H +ATOM 1106 HZ2 TRP A 76 4.044 34.383 -4.395 1.00 0.00 H +ATOM 1107 HZ3 TRP A 76 8.257 35.061 -4.395 1.00 0.00 H +ATOM 1108 HH2 TRP A 76 5.971 35.892 -4.184 1.00 0.00 H +ATOM 1109 N VAL A 77 10.573 28.870 -5.706 1.00 0.00 N +ATOM 1110 CA VAL A 77 11.896 28.579 -5.168 1.00 0.00 C +ATOM 1111 C VAL A 77 12.989 29.195 -6.034 1.00 0.00 C +ATOM 1112 O VAL A 77 14.081 29.498 -5.553 1.00 0.00 O +ATOM 1113 CB VAL A 77 12.136 27.061 -5.061 1.00 0.00 C +ATOM 1114 CG1 VAL A 77 11.167 26.436 -4.070 1.00 0.00 C +ATOM 1115 CG2 VAL A 77 12.012 26.404 -6.428 1.00 0.00 C +ATOM 1116 H VAL A 77 10.035 28.139 -6.076 1.00 0.00 H +ATOM 1117 HA VAL A 77 11.954 29.002 -4.176 1.00 0.00 H +ATOM 1118 HB VAL A 77 13.141 26.901 -4.698 1.00 0.00 H +ATOM 1119 HG11 VAL A 77 10.481 27.190 -3.713 1.00 0.00 H +ATOM 1120 HG12 VAL A 77 10.614 25.645 -4.556 1.00 0.00 H +ATOM 1121 HG13 VAL A 77 11.719 26.029 -3.235 1.00 0.00 H +ATOM 1122 HG21 VAL A 77 12.352 25.381 -6.367 1.00 0.00 H +ATOM 1123 HG22 VAL A 77 10.979 26.423 -6.744 1.00 0.00 H +ATOM 1124 HG23 VAL A 77 12.616 26.943 -7.142 1.00 0.00 H +ATOM 1125 N LYS A 78 12.689 29.379 -7.315 1.00 0.00 N +ATOM 1126 CA LYS A 78 13.644 29.962 -8.250 1.00 0.00 C +ATOM 1127 C LYS A 78 14.016 31.381 -7.834 1.00 0.00 C +ATOM 1128 O LYS A 78 13.320 32.339 -8.168 1.00 0.00 O +ATOM 1129 CB LYS A 78 13.064 29.969 -9.666 1.00 0.00 C +ATOM 1130 CG LYS A 78 13.629 28.879 -10.560 1.00 0.00 C +ATOM 1131 CD LYS A 78 14.013 29.423 -11.926 1.00 0.00 C +ATOM 1132 CE LYS A 78 13.591 28.479 -13.041 1.00 0.00 C +ATOM 1133 NZ LYS A 78 14.220 28.839 -14.342 1.00 0.00 N +ATOM 1134 H LYS A 78 11.801 29.117 -7.640 1.00 0.00 H +ATOM 1135 HA LYS A 78 14.534 29.351 -8.238 1.00 0.00 H +ATOM 1136 HB2 LYS A 78 11.994 29.837 -9.604 1.00 0.00 H +ATOM 1137 HB3 LYS A 78 13.274 30.925 -10.123 1.00 0.00 H +ATOM 1138 HG2 LYS A 78 14.506 28.460 -10.091 1.00 0.00 H +ATOM 1139 HG3 LYS A 78 12.883 28.108 -10.687 1.00 0.00 H +ATOM 1140 HD2 LYS A 78 13.529 30.376 -12.074 1.00 0.00 H +ATOM 1141 HD3 LYS A 78 15.086 29.552 -11.963 1.00 0.00 H +ATOM 1142 HE2 LYS A 78 13.884 27.474 -12.775 1.00 0.00 H +ATOM 1143 HE3 LYS A 78 12.517 28.524 -13.145 1.00 0.00 H +ATOM 1144 HZ1 LYS A 78 15.235 28.611 -14.322 1.00 0.00 H +ATOM 1145 HZ2 LYS A 78 14.108 29.857 -14.523 1.00 0.00 H +ATOM 1146 HZ3 LYS A 78 13.771 28.309 -15.115 1.00 0.00 H +ATOM 1147 N GLY A 79 15.119 31.509 -7.103 1.00 0.00 N +ATOM 1148 CA GLY A 79 15.565 32.816 -6.655 1.00 0.00 C +ATOM 1149 C GLY A 79 15.329 33.032 -5.173 1.00 0.00 C +ATOM 1150 O GLY A 79 15.527 34.133 -4.659 1.00 0.00 O +ATOM 1151 H GLY A 79 15.635 30.710 -6.866 1.00 0.00 H +ATOM 1152 HA2 GLY A 79 16.620 32.914 -6.859 1.00 0.00 H +ATOM 1153 HA3 GLY A 79 15.029 33.575 -7.207 1.00 0.00 H +ATOM 1154 N LYS A 80 14.905 31.979 -4.483 1.00 0.00 N +ATOM 1155 CA LYS A 80 14.641 32.057 -3.051 1.00 0.00 C +ATOM 1156 C LYS A 80 15.725 31.334 -2.259 1.00 0.00 C +ATOM 1157 O LYS A 80 16.404 30.450 -2.780 1.00 0.00 O +ATOM 1158 CB LYS A 80 13.272 31.454 -2.730 1.00 0.00 C +ATOM 1159 CG LYS A 80 12.336 32.415 -2.017 1.00 0.00 C +ATOM 1160 CD LYS A 80 11.635 33.341 -2.996 1.00 0.00 C +ATOM 1161 CE LYS A 80 10.349 33.902 -2.409 1.00 0.00 C +ATOM 1162 NZ LYS A 80 10.233 35.370 -2.629 1.00 0.00 N +ATOM 1163 H LYS A 80 14.765 31.127 -4.949 1.00 0.00 H +ATOM 1164 HA LYS A 80 14.641 33.099 -2.771 1.00 0.00 H +ATOM 1165 HB2 LYS A 80 12.802 31.146 -3.653 1.00 0.00 H +ATOM 1166 HB3 LYS A 80 13.412 30.587 -2.100 1.00 0.00 H +ATOM 1167 HG2 LYS A 80 11.592 31.846 -1.479 1.00 0.00 H +ATOM 1168 HG3 LYS A 80 12.909 33.010 -1.320 1.00 0.00 H +ATOM 1169 HD2 LYS A 80 12.294 34.161 -3.239 1.00 0.00 H +ATOM 1170 HD3 LYS A 80 11.399 32.788 -3.895 1.00 0.00 H +ATOM 1171 HE2 LYS A 80 9.510 33.410 -2.876 1.00 0.00 H +ATOM 1172 HE3 LYS A 80 10.337 33.704 -1.347 1.00 0.00 H +ATOM 1173 HZ1 LYS A 80 11.100 35.849 -2.310 1.00 0.00 H +ATOM 1174 HZ2 LYS A 80 9.426 35.749 -2.095 1.00 0.00 H +ATOM 1175 HZ3 LYS A 80 10.091 35.571 -3.640 1.00 0.00 H +ATOM 1176 N SER A 81 15.881 31.715 -0.995 1.00 0.00 N +ATOM 1177 CA SER A 81 16.885 31.105 -0.131 1.00 0.00 C +ATOM 1178 C SER A 81 16.423 29.733 0.354 1.00 0.00 C +ATOM 1179 O SER A 81 15.331 29.277 0.012 1.00 0.00 O +ATOM 1180 CB SER A 81 17.175 32.010 1.068 1.00 0.00 C +ATOM 1181 OG SER A 81 18.292 31.540 1.803 1.00 0.00 O +ATOM 1182 H SER A 81 15.310 32.426 -0.636 1.00 0.00 H +ATOM 1183 HA SER A 81 17.790 30.983 -0.707 1.00 0.00 H +ATOM 1184 HB2 SER A 81 17.385 33.009 0.718 1.00 0.00 H +ATOM 1185 HB3 SER A 81 16.313 32.029 1.718 1.00 0.00 H +ATOM 1186 HG SER A 81 18.483 32.149 2.520 1.00 0.00 H +ATOM 1187 N LEU A 82 17.261 29.081 1.151 1.00 0.00 N +ATOM 1188 CA LEU A 82 16.941 27.762 1.684 1.00 0.00 C +ATOM 1189 C LEU A 82 15.841 27.852 2.737 1.00 0.00 C +ATOM 1190 O LEU A 82 14.899 27.059 2.735 1.00 0.00 O +ATOM 1191 CB LEU A 82 18.189 27.117 2.288 1.00 0.00 C +ATOM 1192 CG LEU A 82 19.461 27.194 1.443 1.00 0.00 C +ATOM 1193 CD1 LEU A 82 20.687 26.908 2.295 1.00 0.00 C +ATOM 1194 CD2 LEU A 82 19.383 26.223 0.274 1.00 0.00 C +ATOM 1195 H LEU A 82 18.117 29.496 1.388 1.00 0.00 H +ATOM 1196 HA LEU A 82 16.590 27.151 0.866 1.00 0.00 H +ATOM 1197 HB2 LEU A 82 18.389 27.603 3.231 1.00 0.00 H +ATOM 1198 HB3 LEU A 82 17.969 26.073 2.463 1.00 0.00 H +ATOM 1199 HG LEU A 82 19.559 28.194 1.042 1.00 0.00 H +ATOM 1200 HD11 LEU A 82 21.558 27.346 1.832 1.00 0.00 H +ATOM 1201 HD12 LEU A 82 20.824 25.840 2.382 1.00 0.00 H +ATOM 1202 HD13 LEU A 82 20.549 27.333 3.279 1.00 0.00 H +ATOM 1203 HD21 LEU A 82 18.729 25.403 0.530 1.00 0.00 H +ATOM 1204 HD22 LEU A 82 20.371 25.841 0.057 1.00 0.00 H +ATOM 1205 HD23 LEU A 82 18.997 26.735 -0.595 1.00 0.00 H +ATOM 1206 N ASP A 83 15.965 28.825 3.633 1.00 0.00 N +ATOM 1207 CA ASP A 83 14.980 29.021 4.690 1.00 0.00 C +ATOM 1208 C ASP A 83 13.657 29.517 4.114 1.00 0.00 C +ATOM 1209 O ASP A 83 12.586 29.068 4.521 1.00 0.00 O +ATOM 1210 CB ASP A 83 15.504 30.017 5.726 1.00 0.00 C +ATOM 1211 CG ASP A 83 16.254 29.337 6.855 1.00 0.00 C +ATOM 1212 OD1 ASP A 83 17.424 28.956 6.644 1.00 0.00 O +ATOM 1213 OD2 ASP A 83 15.670 29.184 7.948 1.00 0.00 O +ATOM 1214 H ASP A 83 16.738 29.425 3.582 1.00 0.00 H +ATOM 1215 HA ASP A 83 14.815 28.069 5.171 1.00 0.00 H +ATOM 1216 HB2 ASP A 83 16.174 30.712 5.241 1.00 0.00 H +ATOM 1217 HB3 ASP A 83 14.671 30.560 6.147 1.00 0.00 H +ATOM 1218 N GLU A 84 13.740 30.445 3.166 1.00 0.00 N +ATOM 1219 CA GLU A 84 12.549 31.002 2.537 1.00 0.00 C +ATOM 1220 C GLU A 84 11.676 29.896 1.950 1.00 0.00 C +ATOM 1221 O GLU A 84 10.499 29.775 2.289 1.00 0.00 O +ATOM 1222 CB GLU A 84 12.941 31.993 1.439 1.00 0.00 C +ATOM 1223 CG GLU A 84 13.107 33.419 1.937 1.00 0.00 C +ATOM 1224 CD GLU A 84 13.858 33.493 3.253 1.00 0.00 C +ATOM 1225 OE1 GLU A 84 15.106 33.455 3.226 1.00 0.00 O +ATOM 1226 OE2 GLU A 84 13.198 33.590 4.308 1.00 0.00 O +ATOM 1227 H GLU A 84 14.623 30.763 2.884 1.00 0.00 H +ATOM 1228 HA GLU A 84 11.986 31.524 3.296 1.00 0.00 H +ATOM 1229 HB2 GLU A 84 13.876 31.675 1.000 1.00 0.00 H +ATOM 1230 HB3 GLU A 84 12.176 31.988 0.676 1.00 0.00 H +ATOM 1231 HG2 GLU A 84 13.653 33.984 1.197 1.00 0.00 H +ATOM 1232 HG3 GLU A 84 12.129 33.856 2.072 1.00 0.00 H +ATOM 1233 N ALA A 85 12.261 29.093 1.069 1.00 0.00 N +ATOM 1234 CA ALA A 85 11.539 27.996 0.436 1.00 0.00 C +ATOM 1235 C ALA A 85 11.014 27.012 1.477 1.00 0.00 C +ATOM 1236 O ALA A 85 9.876 26.552 1.390 1.00 0.00 O +ATOM 1237 CB ALA A 85 12.434 27.282 -0.565 1.00 0.00 C +ATOM 1238 H ALA A 85 13.203 29.240 0.840 1.00 0.00 H +ATOM 1239 HA ALA A 85 10.701 28.416 -0.102 1.00 0.00 H +ATOM 1240 HB1 ALA A 85 12.376 27.783 -1.520 1.00 0.00 H +ATOM 1241 HB2 ALA A 85 13.454 27.298 -0.211 1.00 0.00 H +ATOM 1242 HB3 ALA A 85 12.106 26.259 -0.674 1.00 0.00 H +ATOM 1243 N GLN A 86 11.852 26.693 2.458 1.00 0.00 N +ATOM 1244 CA GLN A 86 11.472 25.762 3.514 1.00 0.00 C +ATOM 1245 C GLN A 86 10.418 26.377 4.429 1.00 0.00 C +ATOM 1246 O GLN A 86 9.785 25.678 5.219 1.00 0.00 O +ATOM 1247 CB GLN A 86 12.700 25.356 4.331 1.00 0.00 C +ATOM 1248 CG GLN A 86 12.599 23.962 4.929 1.00 0.00 C +ATOM 1249 CD GLN A 86 12.815 23.954 6.430 1.00 0.00 C +ATOM 1250 OE1 GLN A 86 13.694 23.258 6.938 1.00 0.00 O +ATOM 1251 NE2 GLN A 86 12.012 24.731 7.148 1.00 0.00 N +ATOM 1252 H GLN A 86 12.746 27.093 2.472 1.00 0.00 H +ATOM 1253 HA GLN A 86 11.056 24.883 3.046 1.00 0.00 H +ATOM 1254 HB2 GLN A 86 13.570 25.388 3.692 1.00 0.00 H +ATOM 1255 HB3 GLN A 86 12.830 26.062 5.138 1.00 0.00 H +ATOM 1256 HG2 GLN A 86 11.616 23.565 4.721 1.00 0.00 H +ATOM 1257 HG3 GLN A 86 13.345 23.332 4.469 1.00 0.00 H +ATOM 1258 HE21 GLN A 86 11.334 25.258 6.675 1.00 0.00 H +ATOM 1259 HE22 GLN A 86 12.130 24.745 8.120 1.00 0.00 H +ATOM 1260 N ALA A 87 10.236 27.688 4.316 1.00 0.00 N +ATOM 1261 CA ALA A 87 9.258 28.397 5.132 1.00 0.00 C +ATOM 1262 C ALA A 87 7.877 28.363 4.486 1.00 0.00 C +ATOM 1263 O ALA A 87 6.862 28.539 5.160 1.00 0.00 O +ATOM 1264 CB ALA A 87 9.702 29.834 5.359 1.00 0.00 C +ATOM 1265 H ALA A 87 10.772 28.191 3.667 1.00 0.00 H +ATOM 1266 HA ALA A 87 9.207 27.906 6.093 1.00 0.00 H +ATOM 1267 HB1 ALA A 87 10.364 30.136 4.560 1.00 0.00 H +ATOM 1268 HB2 ALA A 87 8.837 30.480 5.374 1.00 0.00 H +ATOM 1269 HB3 ALA A 87 10.222 29.905 6.303 1.00 0.00 H +ATOM 1270 N ILE A 88 7.847 28.138 3.177 1.00 0.00 N +ATOM 1271 CA ILE A 88 6.590 28.082 2.441 1.00 0.00 C +ATOM 1272 C ILE A 88 5.606 27.126 3.106 1.00 0.00 C +ATOM 1273 O ILE A 88 5.985 26.050 3.569 1.00 0.00 O +ATOM 1274 CB ILE A 88 6.811 27.640 0.982 1.00 0.00 C +ATOM 1275 CG1 ILE A 88 7.711 28.641 0.254 1.00 0.00 C +ATOM 1276 CG2 ILE A 88 5.478 27.498 0.264 1.00 0.00 C +ATOM 1277 CD1 ILE A 88 8.139 28.179 -1.121 1.00 0.00 C +ATOM 1278 H ILE A 88 8.689 28.006 2.695 1.00 0.00 H +ATOM 1279 HA ILE A 88 6.163 29.074 2.434 1.00 0.00 H +ATOM 1280 HB ILE A 88 7.293 26.674 0.991 1.00 0.00 H +ATOM 1281 HG12 ILE A 88 7.182 29.574 0.140 1.00 0.00 H +ATOM 1282 HG13 ILE A 88 8.602 28.806 0.842 1.00 0.00 H +ATOM 1283 HG21 ILE A 88 5.649 27.397 -0.798 1.00 0.00 H +ATOM 1284 HG22 ILE A 88 4.964 26.621 0.629 1.00 0.00 H +ATOM 1285 HG23 ILE A 88 4.873 28.373 0.449 1.00 0.00 H +ATOM 1286 HD11 ILE A 88 7.350 28.379 -1.831 1.00 0.00 H +ATOM 1287 HD12 ILE A 88 9.033 28.706 -1.417 1.00 0.00 H +ATOM 1288 HD13 ILE A 88 8.339 27.117 -1.098 1.00 0.00 H +ATOM 1289 N LYS A 89 4.339 27.525 3.149 1.00 0.00 N +ATOM 1290 CA LYS A 89 3.298 26.703 3.754 1.00 0.00 C +ATOM 1291 C LYS A 89 2.303 26.224 2.703 1.00 0.00 C +ATOM 1292 O LYS A 89 1.911 26.980 1.815 1.00 0.00 O +ATOM 1293 CB LYS A 89 2.565 27.492 4.843 1.00 0.00 C +ATOM 1294 CG LYS A 89 3.363 27.641 6.126 1.00 0.00 C +ATOM 1295 CD LYS A 89 4.085 28.977 6.182 1.00 0.00 C +ATOM 1296 CE LYS A 89 3.193 30.069 6.754 1.00 0.00 C +ATOM 1297 NZ LYS A 89 2.997 29.913 8.222 1.00 0.00 N +ATOM 1298 H LYS A 89 4.098 28.393 2.763 1.00 0.00 H +ATOM 1299 HA LYS A 89 3.772 25.843 4.202 1.00 0.00 H +ATOM 1300 HB2 LYS A 89 2.341 28.479 4.465 1.00 0.00 H +ATOM 1301 HB3 LYS A 89 1.640 26.986 5.076 1.00 0.00 H +ATOM 1302 HG2 LYS A 89 2.690 27.573 6.968 1.00 0.00 H +ATOM 1303 HG3 LYS A 89 4.093 26.846 6.181 1.00 0.00 H +ATOM 1304 HD2 LYS A 89 4.959 28.879 6.807 1.00 0.00 H +ATOM 1305 HD3 LYS A 89 4.385 29.257 5.182 1.00 0.00 H +ATOM 1306 HE2 LYS A 89 3.650 31.027 6.561 1.00 0.00 H +ATOM 1307 HE3 LYS A 89 2.232 30.024 6.263 1.00 0.00 H +ATOM 1308 HZ1 LYS A 89 3.795 29.390 8.635 1.00 0.00 H +ATOM 1309 HZ2 LYS A 89 2.119 29.388 8.411 1.00 0.00 H +ATOM 1310 HZ3 LYS A 89 2.935 30.846 8.675 1.00 0.00 H +ATOM 1311 N ASN A 90 1.897 24.962 2.809 1.00 0.00 N +ATOM 1312 CA ASN A 90 0.947 24.382 1.867 1.00 0.00 C +ATOM 1313 C ASN A 90 -0.253 25.303 1.669 1.00 0.00 C +ATOM 1314 O ASN A 90 -0.805 25.397 0.572 1.00 0.00 O +ATOM 1315 CB ASN A 90 0.477 23.013 2.363 1.00 0.00 C +ATOM 1316 CG ASN A 90 -0.551 23.121 3.472 1.00 0.00 C +ATOM 1317 OD1 ASN A 90 -0.206 23.137 4.654 1.00 0.00 O +ATOM 1318 ND2 ASN A 90 -1.822 23.196 3.095 1.00 0.00 N +ATOM 1319 H ASN A 90 2.246 24.408 3.539 1.00 0.00 H +ATOM 1320 HA ASN A 90 1.452 24.259 0.921 1.00 0.00 H +ATOM 1321 HB2 ASN A 90 0.034 22.472 1.539 1.00 0.00 H +ATOM 1322 HB3 ASN A 90 1.326 22.461 2.736 1.00 0.00 H +ATOM 1323 HD21 ASN A 90 -2.023 23.177 2.136 1.00 0.00 H +ATOM 1324 HD22 ASN A 90 -2.508 23.267 3.792 1.00 0.00 H +ATOM 1325 N THR A 91 -0.653 25.984 2.739 1.00 0.00 N +ATOM 1326 CA THR A 91 -1.788 26.897 2.684 1.00 0.00 C +ATOM 1327 C THR A 91 -1.644 27.884 1.531 1.00 0.00 C +ATOM 1328 O THR A 91 -2.625 28.232 0.874 1.00 0.00 O +ATOM 1329 CB THR A 91 -1.941 27.682 4.000 1.00 0.00 C +ATOM 1330 OG1 THR A 91 -3.063 28.568 3.914 1.00 0.00 O +ATOM 1331 CG2 THR A 91 -0.682 28.479 4.305 1.00 0.00 C +ATOM 1332 H THR A 91 -0.173 25.867 3.585 1.00 0.00 H +ATOM 1333 HA THR A 91 -2.682 26.309 2.533 1.00 0.00 H +ATOM 1334 HB THR A 91 -2.109 26.979 4.804 1.00 0.00 H +ATOM 1335 HG1 THR A 91 -3.800 28.112 3.500 1.00 0.00 H +ATOM 1336 HG21 THR A 91 -0.514 28.492 5.372 1.00 0.00 H +ATOM 1337 HG22 THR A 91 -0.799 29.490 3.946 1.00 0.00 H +ATOM 1338 HG23 THR A 91 0.162 28.018 3.815 1.00 0.00 H +ATOM 1339 N ASP A 92 -0.416 28.329 1.290 1.00 0.00 N +ATOM 1340 CA ASP A 92 -0.143 29.275 0.214 1.00 0.00 C +ATOM 1341 C ASP A 92 -0.299 28.608 -1.149 1.00 0.00 C +ATOM 1342 O ASP A 92 -0.782 29.222 -2.100 1.00 0.00 O +ATOM 1343 CB ASP A 92 1.267 29.850 0.356 1.00 0.00 C +ATOM 1344 CG ASP A 92 1.270 31.228 0.988 1.00 0.00 C +ATOM 1345 OD1 ASP A 92 0.666 31.386 2.070 1.00 0.00 O +ATOM 1346 OD2 ASP A 92 1.875 32.148 0.400 1.00 0.00 O +ATOM 1347 H ASP A 92 0.325 28.014 1.849 1.00 0.00 H +ATOM 1348 HA ASP A 92 -0.859 30.080 0.290 1.00 0.00 H +ATOM 1349 HB2 ASP A 92 1.857 29.190 0.975 1.00 0.00 H +ATOM 1350 HB3 ASP A 92 1.720 29.921 -0.622 1.00 0.00 H +ATOM 1351 N ILE A 93 0.115 27.348 -1.236 1.00 0.00 N +ATOM 1352 CA ILE A 93 0.021 26.597 -2.482 1.00 0.00 C +ATOM 1353 C ILE A 93 -1.408 26.131 -2.736 1.00 0.00 C +ATOM 1354 O ILE A 93 -1.798 25.886 -3.877 1.00 0.00 O +ATOM 1355 CB ILE A 93 0.955 25.373 -2.473 1.00 0.00 C +ATOM 1356 CG1 ILE A 93 2.415 25.819 -2.370 1.00 0.00 C +ATOM 1357 CG2 ILE A 93 0.739 24.533 -3.723 1.00 0.00 C +ATOM 1358 CD1 ILE A 93 2.863 26.096 -0.952 1.00 0.00 C +ATOM 1359 H ILE A 93 0.491 26.913 -0.443 1.00 0.00 H +ATOM 1360 HA ILE A 93 0.324 27.251 -3.287 1.00 0.00 H +ATOM 1361 HB ILE A 93 0.709 24.767 -1.615 1.00 0.00 H +ATOM 1362 HG12 ILE A 93 3.050 25.046 -2.772 1.00 0.00 H +ATOM 1363 HG13 ILE A 93 2.548 26.724 -2.944 1.00 0.00 H +ATOM 1364 HG21 ILE A 93 -0.027 23.796 -3.533 1.00 0.00 H +ATOM 1365 HG22 ILE A 93 0.428 25.172 -4.536 1.00 0.00 H +ATOM 1366 HG23 ILE A 93 1.660 24.036 -3.987 1.00 0.00 H +ATOM 1367 HD11 ILE A 93 3.808 25.606 -0.770 1.00 0.00 H +ATOM 1368 HD12 ILE A 93 2.975 27.160 -0.810 1.00 0.00 H +ATOM 1369 HD13 ILE A 93 2.124 25.717 -0.260 1.00 0.00 H +ATOM 1370 N ALA A 94 -2.186 26.011 -1.665 1.00 0.00 N +ATOM 1371 CA ALA A 94 -3.573 25.577 -1.772 1.00 0.00 C +ATOM 1372 C ALA A 94 -4.450 26.682 -2.351 1.00 0.00 C +ATOM 1373 O ALA A 94 -5.229 26.449 -3.274 1.00 0.00 O +ATOM 1374 CB ALA A 94 -4.097 25.143 -0.411 1.00 0.00 C +ATOM 1375 H ALA A 94 -1.817 26.220 -0.781 1.00 0.00 H +ATOM 1376 HA ALA A 94 -3.606 24.723 -2.433 1.00 0.00 H +ATOM 1377 HB1 ALA A 94 -5.173 25.242 -0.393 1.00 0.00 H +ATOM 1378 HB2 ALA A 94 -3.827 24.113 -0.234 1.00 0.00 H +ATOM 1379 HB3 ALA A 94 -3.664 25.767 0.356 1.00 0.00 H +ATOM 1380 N GLU A 95 -4.318 27.886 -1.801 1.00 0.00 N +ATOM 1381 CA GLU A 95 -5.101 29.026 -2.263 1.00 0.00 C +ATOM 1382 C GLU A 95 -4.514 29.604 -3.548 1.00 0.00 C +ATOM 1383 O GLU A 95 -5.191 30.321 -4.283 1.00 0.00 O +ATOM 1384 CB GLU A 95 -5.154 30.107 -1.182 1.00 0.00 C +ATOM 1385 CG GLU A 95 -5.703 29.614 0.146 1.00 0.00 C +ATOM 1386 CD GLU A 95 -7.211 29.450 0.130 1.00 0.00 C +ATOM 1387 OE1 GLU A 95 -7.781 29.313 -0.973 1.00 0.00 O +ATOM 1388 OE2 GLU A 95 -7.819 29.458 1.220 1.00 0.00 O +ATOM 1389 H GLU A 95 -3.680 28.009 -1.068 1.00 0.00 H +ATOM 1390 HA GLU A 95 -6.104 28.680 -2.464 1.00 0.00 H +ATOM 1391 HB2 GLU A 95 -4.156 30.485 -1.018 1.00 0.00 H +ATOM 1392 HB3 GLU A 95 -5.782 30.915 -1.529 1.00 0.00 H +ATOM 1393 HG2 GLU A 95 -5.255 28.658 0.373 1.00 0.00 H +ATOM 1394 HG3 GLU A 95 -5.441 30.325 0.916 1.00 0.00 H +ATOM 1395 N GLU A 96 -3.250 29.286 -3.810 1.00 0.00 N +ATOM 1396 CA GLU A 96 -2.572 29.774 -5.005 1.00 0.00 C +ATOM 1397 C GLU A 96 -3.267 29.275 -6.268 1.00 0.00 C +ATOM 1398 O GLU A 96 -3.527 30.045 -7.193 1.00 0.00 O +ATOM 1399 CB GLU A 96 -1.108 29.329 -5.005 1.00 0.00 C +ATOM 1400 CG GLU A 96 -0.133 30.442 -4.659 1.00 0.00 C +ATOM 1401 CD GLU A 96 0.331 31.212 -5.880 1.00 0.00 C +ATOM 1402 OE1 GLU A 96 -0.235 30.989 -6.971 1.00 0.00 O +ATOM 1403 OE2 GLU A 96 1.259 32.036 -5.746 1.00 0.00 O +ATOM 1404 H GLU A 96 -2.763 28.709 -3.185 1.00 0.00 H +ATOM 1405 HA GLU A 96 -2.610 30.853 -4.990 1.00 0.00 H +ATOM 1406 HB2 GLU A 96 -0.986 28.534 -4.285 1.00 0.00 H +ATOM 1407 HB3 GLU A 96 -0.859 28.954 -5.987 1.00 0.00 H +ATOM 1408 HG2 GLU A 96 -0.617 31.130 -3.982 1.00 0.00 H +ATOM 1409 HG3 GLU A 96 0.730 30.010 -4.175 1.00 0.00 H +ATOM 1410 N LEU A 97 -3.566 27.981 -6.299 1.00 0.00 N +ATOM 1411 CA LEU A 97 -4.231 27.377 -7.448 1.00 0.00 C +ATOM 1412 C LEU A 97 -5.630 26.894 -7.077 1.00 0.00 C +ATOM 1413 O LEU A 97 -6.355 26.361 -7.915 1.00 0.00 O +ATOM 1414 CB LEU A 97 -3.402 26.209 -7.987 1.00 0.00 C +ATOM 1415 CG LEU A 97 -1.937 26.515 -8.299 1.00 0.00 C +ATOM 1416 CD1 LEU A 97 -1.051 25.345 -7.898 1.00 0.00 C +ATOM 1417 CD2 LEU A 97 -1.762 26.836 -9.776 1.00 0.00 C +ATOM 1418 H LEU A 97 -3.335 27.418 -5.532 1.00 0.00 H +ATOM 1419 HA LEU A 97 -4.316 28.132 -8.216 1.00 0.00 H +ATOM 1420 HB2 LEU A 97 -3.426 25.421 -7.251 1.00 0.00 H +ATOM 1421 HB3 LEU A 97 -3.871 25.864 -8.897 1.00 0.00 H +ATOM 1422 HG LEU A 97 -1.626 27.379 -7.729 1.00 0.00 H +ATOM 1423 HD11 LEU A 97 -1.465 24.429 -8.290 1.00 0.00 H +ATOM 1424 HD12 LEU A 97 -1.000 25.285 -6.821 1.00 0.00 H +ATOM 1425 HD13 LEU A 97 -0.058 25.493 -8.297 1.00 0.00 H +ATOM 1426 HD21 LEU A 97 -0.747 26.619 -10.074 1.00 0.00 H +ATOM 1427 HD22 LEU A 97 -1.970 27.883 -9.944 1.00 0.00 H +ATOM 1428 HD23 LEU A 97 -2.445 26.235 -10.358 1.00 0.00 H +ATOM 1429 N GLU A 98 -6.000 27.086 -5.814 1.00 0.00 N +ATOM 1430 CA GLU A 98 -7.313 26.671 -5.333 1.00 0.00 C +ATOM 1431 C GLU A 98 -7.583 25.210 -5.682 1.00 0.00 C +ATOM 1432 O GLU A 98 -8.507 24.901 -6.435 1.00 0.00 O +ATOM 1433 CB GLU A 98 -8.405 27.560 -5.931 1.00 0.00 C +ATOM 1434 CG GLU A 98 -8.219 29.038 -5.632 1.00 0.00 C +ATOM 1435 CD GLU A 98 -9.320 29.896 -6.223 1.00 0.00 C +ATOM 1436 OE1 GLU A 98 -10.440 29.376 -6.411 1.00 0.00 O +ATOM 1437 OE2 GLU A 98 -9.063 31.087 -6.497 1.00 0.00 O +ATOM 1438 H GLU A 98 -5.377 27.517 -5.193 1.00 0.00 H +ATOM 1439 HA GLU A 98 -7.322 26.780 -4.259 1.00 0.00 H +ATOM 1440 HB2 GLU A 98 -8.412 27.429 -7.003 1.00 0.00 H +ATOM 1441 HB3 GLU A 98 -9.361 27.252 -5.534 1.00 0.00 H +ATOM 1442 HG2 GLU A 98 -8.211 29.177 -4.561 1.00 0.00 H +ATOM 1443 HG3 GLU A 98 -7.273 29.359 -6.042 1.00 0.00 H +ATOM 1444 N LEU A 99 -6.771 24.317 -5.129 1.00 0.00 N +ATOM 1445 CA LEU A 99 -6.921 22.887 -5.380 1.00 0.00 C +ATOM 1446 C LEU A 99 -8.318 22.411 -4.999 1.00 0.00 C +ATOM 1447 O LEU A 99 -8.989 22.995 -4.147 1.00 0.00 O +ATOM 1448 CB LEU A 99 -5.869 22.099 -4.598 1.00 0.00 C +ATOM 1449 CG LEU A 99 -4.726 21.503 -5.421 1.00 0.00 C +ATOM 1450 CD1 LEU A 99 -3.827 22.605 -5.961 1.00 0.00 C +ATOM 1451 CD2 LEU A 99 -3.923 20.518 -4.585 1.00 0.00 C +ATOM 1452 H LEU A 99 -6.053 24.624 -4.537 1.00 0.00 H +ATOM 1453 HA LEU A 99 -6.772 22.720 -6.437 1.00 0.00 H +ATOM 1454 HB2 LEU A 99 -5.437 22.761 -3.864 1.00 0.00 H +ATOM 1455 HB3 LEU A 99 -6.373 21.286 -4.094 1.00 0.00 H +ATOM 1456 HG LEU A 99 -5.140 20.968 -6.265 1.00 0.00 H +ATOM 1457 HD11 LEU A 99 -3.144 22.189 -6.686 1.00 0.00 H +ATOM 1458 HD12 LEU A 99 -3.267 23.043 -5.148 1.00 0.00 H +ATOM 1459 HD13 LEU A 99 -4.433 23.366 -6.431 1.00 0.00 H +ATOM 1460 HD21 LEU A 99 -3.974 19.538 -5.035 1.00 0.00 H +ATOM 1461 HD22 LEU A 99 -4.332 20.477 -3.586 1.00 0.00 H +ATOM 1462 HD23 LEU A 99 -2.893 20.841 -4.540 1.00 0.00 H +ATOM 1463 N PRO A 100 -8.769 21.323 -5.641 1.00 0.00 N +ATOM 1464 CA PRO A 100 -10.090 20.742 -5.384 1.00 0.00 C +ATOM 1465 C PRO A 100 -10.177 20.087 -4.010 1.00 0.00 C +ATOM 1466 O PRO A 100 -9.176 19.658 -3.435 1.00 0.00 O +ATOM 1467 CB PRO A 100 -10.236 19.691 -6.487 1.00 0.00 C +ATOM 1468 CG PRO A 100 -8.839 19.326 -6.851 1.00 0.00 C +ATOM 1469 CD PRO A 100 -8.023 20.576 -6.668 1.00 0.00 C +ATOM 1470 HA PRO A 100 -10.873 21.480 -5.480 1.00 0.00 H +ATOM 1471 HB2 PRO A 100 -10.782 18.840 -6.106 1.00 0.00 H +ATOM 1472 HB3 PRO A 100 -10.764 20.118 -7.327 1.00 0.00 H +ATOM 1473 HG2 PRO A 100 -8.481 18.546 -6.196 1.00 0.00 H +ATOM 1474 HG3 PRO A 100 -8.800 19.001 -7.880 1.00 0.00 H +ATOM 1475 HD2 PRO A 100 -7.030 20.332 -6.322 1.00 0.00 H +ATOM 1476 HD3 PRO A 100 -7.976 21.134 -7.592 1.00 0.00 H +ATOM 1477 N PRO A 101 -11.402 20.006 -3.468 1.00 0.00 N +ATOM 1478 CA PRO A 101 -11.649 19.403 -2.155 1.00 0.00 C +ATOM 1479 C PRO A 101 -11.445 17.892 -2.164 1.00 0.00 C +ATOM 1480 O PRO A 101 -11.468 17.246 -1.116 1.00 0.00 O +ATOM 1481 CB PRO A 101 -13.115 19.744 -1.879 1.00 0.00 C +ATOM 1482 CG PRO A 101 -13.723 19.922 -3.227 1.00 0.00 C +ATOM 1483 CD PRO A 101 -12.640 20.496 -4.097 1.00 0.00 C +ATOM 1484 HA PRO A 101 -11.024 19.845 -1.392 1.00 0.00 H +ATOM 1485 HB2 PRO A 101 -13.580 18.931 -1.339 1.00 0.00 H +ATOM 1486 HB3 PRO A 101 -13.174 20.651 -1.296 1.00 0.00 H +ATOM 1487 HG2 PRO A 101 -14.048 18.968 -3.612 1.00 0.00 H +ATOM 1488 HG3 PRO A 101 -14.556 20.607 -3.165 1.00 0.00 H +ATOM 1489 HD2 PRO A 101 -12.732 20.126 -5.107 1.00 0.00 H +ATOM 1490 HD3 PRO A 101 -12.677 21.575 -4.084 1.00 0.00 H +ATOM 1491 N VAL A 102 -11.247 17.332 -3.353 1.00 0.00 N +ATOM 1492 CA VAL A 102 -11.038 15.897 -3.498 1.00 0.00 C +ATOM 1493 C VAL A 102 -9.892 15.416 -2.614 1.00 0.00 C +ATOM 1494 O VAL A 102 -10.088 14.600 -1.714 1.00 0.00 O +ATOM 1495 CB VAL A 102 -10.737 15.518 -4.960 1.00 0.00 C +ATOM 1496 CG1 VAL A 102 -10.264 14.075 -5.052 1.00 0.00 C +ATOM 1497 CG2 VAL A 102 -11.963 15.742 -5.832 1.00 0.00 C +ATOM 1498 H VAL A 102 -11.240 17.899 -4.153 1.00 0.00 H +ATOM 1499 HA VAL A 102 -11.946 15.395 -3.198 1.00 0.00 H +ATOM 1500 HB VAL A 102 -9.944 16.157 -5.321 1.00 0.00 H +ATOM 1501 HG11 VAL A 102 -10.796 13.476 -4.327 1.00 0.00 H +ATOM 1502 HG12 VAL A 102 -10.457 13.695 -6.045 1.00 0.00 H +ATOM 1503 HG13 VAL A 102 -9.205 14.030 -4.848 1.00 0.00 H +ATOM 1504 HG21 VAL A 102 -12.024 14.961 -6.574 1.00 0.00 H +ATOM 1505 HG22 VAL A 102 -12.851 15.724 -5.216 1.00 0.00 H +ATOM 1506 HG23 VAL A 102 -11.886 16.701 -6.322 1.00 0.00 H +ATOM 1507 N LYS A 103 -8.695 15.929 -2.876 1.00 0.00 N +ATOM 1508 CA LYS A 103 -7.516 15.555 -2.104 1.00 0.00 C +ATOM 1509 C LYS A 103 -6.616 16.763 -1.865 1.00 0.00 C +ATOM 1510 O LYS A 103 -5.550 16.884 -2.469 1.00 0.00 O +ATOM 1511 CB LYS A 103 -6.733 14.458 -2.829 1.00 0.00 C +ATOM 1512 CG LYS A 103 -5.721 13.748 -1.946 1.00 0.00 C +ATOM 1513 CD LYS A 103 -6.161 12.331 -1.621 1.00 0.00 C +ATOM 1514 CE LYS A 103 -6.021 12.030 -0.137 1.00 0.00 C +ATOM 1515 NZ LYS A 103 -5.923 10.568 0.126 1.00 0.00 N +ATOM 1516 H LYS A 103 -8.602 16.576 -3.607 1.00 0.00 H +ATOM 1517 HA LYS A 103 -7.851 15.176 -1.150 1.00 0.00 H +ATOM 1518 HB2 LYS A 103 -7.430 13.723 -3.204 1.00 0.00 H +ATOM 1519 HB3 LYS A 103 -6.206 14.900 -3.662 1.00 0.00 H +ATOM 1520 HG2 LYS A 103 -4.772 13.710 -2.461 1.00 0.00 H +ATOM 1521 HG3 LYS A 103 -5.610 14.302 -1.025 1.00 0.00 H +ATOM 1522 HD2 LYS A 103 -7.196 12.210 -1.905 1.00 0.00 H +ATOM 1523 HD3 LYS A 103 -5.549 11.636 -2.180 1.00 0.00 H +ATOM 1524 HE2 LYS A 103 -5.129 12.514 0.232 1.00 0.00 H +ATOM 1525 HE3 LYS A 103 -6.883 12.424 0.380 1.00 0.00 H +ATOM 1526 HZ1 LYS A 103 -6.462 10.322 0.981 1.00 0.00 H +ATOM 1527 HZ2 LYS A 103 -4.929 10.295 0.266 1.00 0.00 H +ATOM 1528 HZ3 LYS A 103 -6.308 10.033 -0.679 1.00 0.00 H +ATOM 1529 N ILE A 104 -7.051 17.653 -0.980 1.00 0.00 N +ATOM 1530 CA ILE A 104 -6.283 18.850 -0.660 1.00 0.00 C +ATOM 1531 C ILE A 104 -4.836 18.502 -0.330 1.00 0.00 C +ATOM 1532 O ILE A 104 -3.934 19.323 -0.503 1.00 0.00 O +ATOM 1533 CB ILE A 104 -6.899 19.614 0.527 1.00 0.00 C +ATOM 1534 CG1 ILE A 104 -8.338 20.026 0.205 1.00 0.00 C +ATOM 1535 CG2 ILE A 104 -6.057 20.834 0.866 1.00 0.00 C +ATOM 1536 CD1 ILE A 104 -8.441 21.026 -0.924 1.00 0.00 C +ATOM 1537 H ILE A 104 -7.909 17.502 -0.531 1.00 0.00 H +ATOM 1538 HA ILE A 104 -6.298 19.497 -1.526 1.00 0.00 H +ATOM 1539 HB ILE A 104 -6.903 18.959 1.385 1.00 0.00 H +ATOM 1540 HG12 ILE A 104 -8.902 19.150 -0.075 1.00 0.00 H +ATOM 1541 HG13 ILE A 104 -8.782 20.469 1.085 1.00 0.00 H +ATOM 1542 HG21 ILE A 104 -5.781 21.346 -0.044 1.00 0.00 H +ATOM 1543 HG22 ILE A 104 -6.627 21.502 1.494 1.00 0.00 H +ATOM 1544 HG23 ILE A 104 -5.165 20.523 1.388 1.00 0.00 H +ATOM 1545 HD11 ILE A 104 -7.902 20.657 -1.784 1.00 0.00 H +ATOM 1546 HD12 ILE A 104 -9.479 21.171 -1.183 1.00 0.00 H +ATOM 1547 HD13 ILE A 104 -8.014 21.968 -0.610 1.00 0.00 H +ATOM 1548 N HIS A 105 -4.620 17.280 0.145 1.00 0.00 N +ATOM 1549 CA HIS A 105 -3.281 16.821 0.498 1.00 0.00 C +ATOM 1550 C HIS A 105 -2.315 17.019 -0.667 1.00 0.00 C +ATOM 1551 O HIS A 105 -1.104 17.128 -0.470 1.00 0.00 O +ATOM 1552 CB HIS A 105 -3.314 15.348 0.904 1.00 0.00 C +ATOM 1553 CG HIS A 105 -2.123 14.921 1.706 1.00 0.00 C +ATOM 1554 ND1 HIS A 105 -1.494 15.745 2.615 1.00 0.00 N +ATOM 1555 CD2 HIS A 105 -1.448 13.748 1.734 1.00 0.00 C +ATOM 1556 CE1 HIS A 105 -0.482 15.098 3.166 1.00 0.00 C +ATOM 1557 NE2 HIS A 105 -0.433 13.884 2.648 1.00 0.00 N +ATOM 1558 H HIS A 105 -5.380 16.671 0.261 1.00 0.00 H +ATOM 1559 HA HIS A 105 -2.939 17.410 1.336 1.00 0.00 H +ATOM 1560 HB2 HIS A 105 -4.197 15.165 1.499 1.00 0.00 H +ATOM 1561 HB3 HIS A 105 -3.352 14.736 0.014 1.00 0.00 H +ATOM 1562 HD1 HIS A 105 -1.749 16.667 2.824 1.00 0.00 H +ATOM 1563 HD2 HIS A 105 -1.667 12.868 1.145 1.00 0.00 H +ATOM 1564 HE1 HIS A 105 0.191 15.494 3.912 1.00 0.00 H +ATOM 1565 N CYS A 106 -2.858 17.063 -1.878 1.00 0.00 N +ATOM 1566 CA CYS A 106 -2.045 17.245 -3.075 1.00 0.00 C +ATOM 1567 C CYS A 106 -1.270 18.558 -3.011 1.00 0.00 C +ATOM 1568 O CYS A 106 -0.281 18.741 -3.720 1.00 0.00 O +ATOM 1569 CB CYS A 106 -2.926 17.219 -4.325 1.00 0.00 C +ATOM 1570 SG CYS A 106 -2.977 15.616 -5.159 1.00 0.00 S +ATOM 1571 H CYS A 106 -3.830 16.970 -1.971 1.00 0.00 H +ATOM 1572 HA CYS A 106 -1.341 16.428 -3.124 1.00 0.00 H +ATOM 1573 HB2 CYS A 106 -3.937 17.477 -4.049 1.00 0.00 H +ATOM 1574 HB3 CYS A 106 -2.556 17.947 -5.032 1.00 0.00 H +ATOM 1575 HG CYS A 106 -1.885 14.946 -4.823 1.00 0.00 H +ATOM 1576 N SER A 107 -1.729 19.468 -2.158 1.00 0.00 N +ATOM 1577 CA SER A 107 -1.082 20.766 -2.005 1.00 0.00 C +ATOM 1578 C SER A 107 0.036 20.698 -0.970 1.00 0.00 C +ATOM 1579 O SER A 107 1.036 21.410 -1.072 1.00 0.00 O +ATOM 1580 CB SER A 107 -2.108 21.825 -1.595 1.00 0.00 C +ATOM 1581 OG SER A 107 -1.471 23.036 -1.227 1.00 0.00 O +ATOM 1582 H SER A 107 -2.522 19.262 -1.620 1.00 0.00 H +ATOM 1583 HA SER A 107 -0.657 21.039 -2.960 1.00 0.00 H +ATOM 1584 HB2 SER A 107 -2.772 22.019 -2.424 1.00 0.00 H +ATOM 1585 HB3 SER A 107 -2.679 21.462 -0.753 1.00 0.00 H +ATOM 1586 HG SER A 107 -1.726 23.273 -0.332 1.00 0.00 H +ATOM 1587 N ILE A 108 -0.140 19.836 0.026 1.00 0.00 N +ATOM 1588 CA ILE A 108 0.854 19.673 1.079 1.00 0.00 C +ATOM 1589 C ILE A 108 2.125 19.025 0.540 1.00 0.00 C +ATOM 1590 O ILE A 108 3.224 19.279 1.037 1.00 0.00 O +ATOM 1591 CB ILE A 108 0.310 18.820 2.240 1.00 0.00 C +ATOM 1592 CG1 ILE A 108 -0.678 19.634 3.080 1.00 0.00 C +ATOM 1593 CG2 ILE A 108 1.453 18.310 3.104 1.00 0.00 C +ATOM 1594 CD1 ILE A 108 -2.111 19.511 2.613 1.00 0.00 C +ATOM 1595 H ILE A 108 -0.957 19.296 0.052 1.00 0.00 H +ATOM 1596 HA ILE A 108 1.097 20.654 1.462 1.00 0.00 H +ATOM 1597 HB ILE A 108 -0.202 17.967 1.822 1.00 0.00 H +ATOM 1598 HG12 ILE A 108 -0.633 19.297 4.104 1.00 0.00 H +ATOM 1599 HG13 ILE A 108 -0.402 20.677 3.035 1.00 0.00 H +ATOM 1600 HG21 ILE A 108 1.920 17.465 2.621 1.00 0.00 H +ATOM 1601 HG22 ILE A 108 2.182 19.096 3.237 1.00 0.00 H +ATOM 1602 HG23 ILE A 108 1.070 18.007 4.067 1.00 0.00 H +ATOM 1603 HD11 ILE A 108 -2.704 20.296 3.060 1.00 0.00 H +ATOM 1604 HD12 ILE A 108 -2.150 19.597 1.538 1.00 0.00 H +ATOM 1605 HD13 ILE A 108 -2.506 18.550 2.911 1.00 0.00 H +ATOM 1606 N LEU A 109 1.970 18.189 -0.480 1.00 0.00 N +ATOM 1607 CA LEU A 109 3.105 17.505 -1.089 1.00 0.00 C +ATOM 1608 C LEU A 109 3.943 18.473 -1.917 1.00 0.00 C +ATOM 1609 O LEU A 109 5.141 18.264 -2.111 1.00 0.00 O +ATOM 1610 CB LEU A 109 2.619 16.352 -1.969 1.00 0.00 C +ATOM 1611 CG LEU A 109 2.078 15.126 -1.232 1.00 0.00 C +ATOM 1612 CD1 LEU A 109 0.701 14.752 -1.756 1.00 0.00 C +ATOM 1613 CD2 LEU A 109 3.039 13.954 -1.368 1.00 0.00 C +ATOM 1614 H LEU A 109 1.070 18.026 -0.833 1.00 0.00 H +ATOM 1615 HA LEU A 109 3.717 17.107 -0.294 1.00 0.00 H +ATOM 1616 HB2 LEU A 109 1.832 16.729 -2.604 1.00 0.00 H +ATOM 1617 HB3 LEU A 109 3.450 16.031 -2.581 1.00 0.00 H +ATOM 1618 HG LEU A 109 1.982 15.360 -0.180 1.00 0.00 H +ATOM 1619 HD11 LEU A 109 0.571 15.160 -2.748 1.00 0.00 H +ATOM 1620 HD12 LEU A 109 -0.056 15.155 -1.099 1.00 0.00 H +ATOM 1621 HD13 LEU A 109 0.610 13.677 -1.794 1.00 0.00 H +ATOM 1622 HD21 LEU A 109 2.594 13.072 -0.934 1.00 0.00 H +ATOM 1623 HD22 LEU A 109 3.961 14.183 -0.852 1.00 0.00 H +ATOM 1624 HD23 LEU A 109 3.245 13.778 -2.413 1.00 0.00 H +ATOM 1625 N ALA A 110 3.307 19.535 -2.401 1.00 0.00 N +ATOM 1626 CA ALA A 110 3.995 20.538 -3.204 1.00 0.00 C +ATOM 1627 C ALA A 110 5.038 21.282 -2.377 1.00 0.00 C +ATOM 1628 O ALA A 110 6.162 21.498 -2.830 1.00 0.00 O +ATOM 1629 CB ALA A 110 2.993 21.517 -3.797 1.00 0.00 C +ATOM 1630 H ALA A 110 2.352 19.647 -2.211 1.00 0.00 H +ATOM 1631 HA ALA A 110 4.491 20.030 -4.019 1.00 0.00 H +ATOM 1632 HB1 ALA A 110 3.165 22.501 -3.385 1.00 0.00 H +ATOM 1633 HB2 ALA A 110 3.113 21.549 -4.870 1.00 0.00 H +ATOM 1634 HB3 ALA A 110 1.990 21.196 -3.556 1.00 0.00 H +ATOM 1635 N GLU A 111 4.658 21.671 -1.164 1.00 0.00 N +ATOM 1636 CA GLU A 111 5.562 22.392 -0.276 1.00 0.00 C +ATOM 1637 C GLU A 111 6.490 21.428 0.457 1.00 0.00 C +ATOM 1638 O GLU A 111 7.566 21.812 0.915 1.00 0.00 O +ATOM 1639 CB GLU A 111 4.766 23.220 0.736 1.00 0.00 C +ATOM 1640 CG GLU A 111 3.926 22.379 1.682 1.00 0.00 C +ATOM 1641 CD GLU A 111 4.212 22.681 3.141 1.00 0.00 C +ATOM 1642 OE1 GLU A 111 5.380 22.977 3.466 1.00 0.00 O +ATOM 1643 OE2 GLU A 111 3.268 22.620 3.956 1.00 0.00 O +ATOM 1644 H GLU A 111 3.749 21.469 -0.860 1.00 0.00 H +ATOM 1645 HA GLU A 111 6.160 23.058 -0.880 1.00 0.00 H +ATOM 1646 HB2 GLU A 111 5.455 23.807 1.324 1.00 0.00 H +ATOM 1647 HB3 GLU A 111 4.107 23.886 0.199 1.00 0.00 H +ATOM 1648 HG2 GLU A 111 2.882 22.576 1.488 1.00 0.00 H +ATOM 1649 HG3 GLU A 111 4.134 21.335 1.498 1.00 0.00 H +ATOM 1650 N ASP A 112 6.064 20.174 0.564 1.00 0.00 N +ATOM 1651 CA ASP A 112 6.856 19.153 1.240 1.00 0.00 C +ATOM 1652 C ASP A 112 7.931 18.595 0.312 1.00 0.00 C +ATOM 1653 O ASP A 112 8.987 18.154 0.764 1.00 0.00 O +ATOM 1654 CB ASP A 112 5.953 18.021 1.734 1.00 0.00 C +ATOM 1655 CG ASP A 112 5.248 18.367 3.030 1.00 0.00 C +ATOM 1656 OD1 ASP A 112 5.165 19.569 3.359 1.00 0.00 O +ATOM 1657 OD2 ASP A 112 4.778 17.435 3.716 1.00 0.00 O +ATOM 1658 H ASP A 112 5.197 19.928 0.177 1.00 0.00 H +ATOM 1659 HA ASP A 112 7.336 19.614 2.090 1.00 0.00 H +ATOM 1660 HB2 ASP A 112 5.205 17.813 0.983 1.00 0.00 H +ATOM 1661 HB3 ASP A 112 6.552 17.136 1.895 1.00 0.00 H +ATOM 1662 N ALA A 113 7.653 18.617 -0.987 1.00 0.00 N +ATOM 1663 CA ALA A 113 8.596 18.115 -1.979 1.00 0.00 C +ATOM 1664 C ALA A 113 9.783 19.059 -2.136 1.00 0.00 C +ATOM 1665 O ALA A 113 10.933 18.622 -2.187 1.00 0.00 O +ATOM 1666 CB ALA A 113 7.898 17.914 -3.316 1.00 0.00 C +ATOM 1667 H ALA A 113 6.794 18.982 -1.286 1.00 0.00 H +ATOM 1668 HA ALA A 113 8.956 17.154 -1.640 1.00 0.00 H +ATOM 1669 HB1 ALA A 113 7.545 18.866 -3.684 1.00 0.00 H +ATOM 1670 HB2 ALA A 113 8.594 17.489 -4.024 1.00 0.00 H +ATOM 1671 HB3 ALA A 113 7.061 17.244 -3.188 1.00 0.00 H +ATOM 1672 N ILE A 114 9.496 20.354 -2.212 1.00 0.00 N +ATOM 1673 CA ILE A 114 10.541 21.360 -2.363 1.00 0.00 C +ATOM 1674 C ILE A 114 11.500 21.337 -1.178 1.00 0.00 C +ATOM 1675 O ILE A 114 12.709 21.509 -1.340 1.00 0.00 O +ATOM 1676 CB ILE A 114 9.946 22.773 -2.500 1.00 0.00 C +ATOM 1677 CG1 ILE A 114 9.042 23.088 -1.307 1.00 0.00 C +ATOM 1678 CG2 ILE A 114 9.172 22.898 -3.804 1.00 0.00 C +ATOM 1679 CD1 ILE A 114 8.336 24.422 -1.418 1.00 0.00 C +ATOM 1680 H ILE A 114 8.560 20.640 -2.165 1.00 0.00 H +ATOM 1681 HA ILE A 114 11.093 21.134 -3.264 1.00 0.00 H +ATOM 1682 HB ILE A 114 10.759 23.482 -2.523 1.00 0.00 H +ATOM 1683 HG12 ILE A 114 8.288 22.322 -1.221 1.00 0.00 H +ATOM 1684 HG13 ILE A 114 9.639 23.102 -0.406 1.00 0.00 H +ATOM 1685 HG21 ILE A 114 8.113 22.860 -3.600 1.00 0.00 H +ATOM 1686 HG22 ILE A 114 9.413 23.839 -4.277 1.00 0.00 H +ATOM 1687 HG23 ILE A 114 9.441 22.085 -4.462 1.00 0.00 H +ATOM 1688 HD11 ILE A 114 8.984 25.133 -1.910 1.00 0.00 H +ATOM 1689 HD12 ILE A 114 7.429 24.303 -1.991 1.00 0.00 H +ATOM 1690 HD13 ILE A 114 8.092 24.784 -0.429 1.00 0.00 H +ATOM 1691 N LYS A 115 10.954 21.123 0.014 1.00 0.00 N +ATOM 1692 CA LYS A 115 11.761 21.074 1.228 1.00 0.00 C +ATOM 1693 C LYS A 115 12.710 19.881 1.203 1.00 0.00 C +ATOM 1694 O LYS A 115 13.861 19.981 1.629 1.00 0.00 O +ATOM 1695 CB LYS A 115 10.859 20.996 2.462 1.00 0.00 C +ATOM 1696 CG LYS A 115 11.610 21.142 3.774 1.00 0.00 C +ATOM 1697 CD LYS A 115 12.014 19.790 4.338 1.00 0.00 C +ATOM 1698 CE LYS A 115 13.468 19.785 4.785 1.00 0.00 C +ATOM 1699 NZ LYS A 115 13.789 18.592 5.616 1.00 0.00 N +ATOM 1700 H LYS A 115 9.985 20.993 0.080 1.00 0.00 H +ATOM 1701 HA LYS A 115 12.344 21.982 1.276 1.00 0.00 H +ATOM 1702 HB2 LYS A 115 10.121 21.782 2.404 1.00 0.00 H +ATOM 1703 HB3 LYS A 115 10.355 20.040 2.464 1.00 0.00 H +ATOM 1704 HG2 LYS A 115 12.499 21.731 3.607 1.00 0.00 H +ATOM 1705 HG3 LYS A 115 10.973 21.644 4.489 1.00 0.00 H +ATOM 1706 HD2 LYS A 115 11.388 19.562 5.188 1.00 0.00 H +ATOM 1707 HD3 LYS A 115 11.879 19.036 3.575 1.00 0.00 H +ATOM 1708 HE2 LYS A 115 14.100 19.784 3.910 1.00 0.00 H +ATOM 1709 HE3 LYS A 115 13.656 20.678 5.364 1.00 0.00 H +ATOM 1710 HZ1 LYS A 115 13.004 18.389 6.268 1.00 0.00 H +ATOM 1711 HZ2 LYS A 115 14.650 18.765 6.173 1.00 0.00 H +ATOM 1712 HZ3 LYS A 115 13.944 17.763 5.008 1.00 0.00 H +ATOM 1713 N ALA A 116 12.222 18.752 0.700 1.00 0.00 N +ATOM 1714 CA ALA A 116 13.028 17.541 0.616 1.00 0.00 C +ATOM 1715 C ALA A 116 14.331 17.799 -0.133 1.00 0.00 C +ATOM 1716 O ALA A 116 15.336 17.130 0.103 1.00 0.00 O +ATOM 1717 CB ALA A 116 12.240 16.428 -0.060 1.00 0.00 C +ATOM 1718 H ALA A 116 11.297 18.734 0.376 1.00 0.00 H +ATOM 1719 HA ALA A 116 13.260 17.224 1.623 1.00 0.00 H +ATOM 1720 HB1 ALA A 116 11.467 16.078 0.609 1.00 0.00 H +ATOM 1721 HB2 ALA A 116 11.790 16.805 -0.966 1.00 0.00 H +ATOM 1722 HB3 ALA A 116 12.905 15.612 -0.300 1.00 0.00 H +ATOM 1723 N ALA A 117 14.305 18.773 -1.037 1.00 0.00 N +ATOM 1724 CA ALA A 117 15.485 19.120 -1.819 1.00 0.00 C +ATOM 1725 C ALA A 117 16.455 19.968 -1.004 1.00 0.00 C +ATOM 1726 O ALA A 117 17.669 19.781 -1.077 1.00 0.00 O +ATOM 1727 CB ALA A 117 15.079 19.854 -3.089 1.00 0.00 C +ATOM 1728 H ALA A 117 13.473 19.270 -1.180 1.00 0.00 H +ATOM 1729 HA ALA A 117 15.978 18.202 -2.106 1.00 0.00 H +ATOM 1730 HB1 ALA A 117 15.585 19.414 -3.936 1.00 0.00 H +ATOM 1731 HB2 ALA A 117 14.011 19.772 -3.226 1.00 0.00 H +ATOM 1732 HB3 ALA A 117 15.353 20.895 -3.006 1.00 0.00 H +ATOM 1733 N ILE A 118 15.911 20.900 -0.229 1.00 0.00 N +ATOM 1734 CA ILE A 118 16.729 21.776 0.601 1.00 0.00 C +ATOM 1735 C ILE A 118 17.485 20.982 1.660 1.00 0.00 C +ATOM 1736 O ILE A 118 18.618 21.313 2.008 1.00 0.00 O +ATOM 1737 CB ILE A 118 15.875 22.853 1.295 1.00 0.00 C +ATOM 1738 CG1 ILE A 118 15.154 23.713 0.255 1.00 0.00 C +ATOM 1739 CG2 ILE A 118 16.743 23.719 2.196 1.00 0.00 C +ATOM 1740 CD1 ILE A 118 14.200 24.719 0.859 1.00 0.00 C +ATOM 1741 H ILE A 118 14.936 21.001 -0.214 1.00 0.00 H +ATOM 1742 HA ILE A 118 17.444 22.271 -0.041 1.00 0.00 H +ATOM 1743 HB ILE A 118 15.141 22.357 1.912 1.00 0.00 H +ATOM 1744 HG12 ILE A 118 15.885 24.255 -0.324 1.00 0.00 H +ATOM 1745 HG13 ILE A 118 14.587 23.069 -0.402 1.00 0.00 H +ATOM 1746 HG21 ILE A 118 16.531 23.489 3.229 1.00 0.00 H +ATOM 1747 HG22 ILE A 118 17.784 23.520 1.990 1.00 0.00 H +ATOM 1748 HG23 ILE A 118 16.531 24.761 2.008 1.00 0.00 H +ATOM 1749 HD11 ILE A 118 14.672 25.690 0.890 1.00 0.00 H +ATOM 1750 HD12 ILE A 118 13.305 24.773 0.258 1.00 0.00 H +ATOM 1751 HD13 ILE A 118 13.942 24.413 1.862 1.00 0.00 H +ATOM 1752 N ALA A 119 16.850 19.930 2.168 1.00 0.00 N +ATOM 1753 CA ALA A 119 17.464 19.086 3.186 1.00 0.00 C +ATOM 1754 C ALA A 119 18.493 18.144 2.569 1.00 0.00 C +ATOM 1755 O ALA A 119 19.376 17.636 3.260 1.00 0.00 O +ATOM 1756 CB ALA A 119 16.398 18.293 3.927 1.00 0.00 C +ATOM 1757 H ALA A 119 15.948 19.717 1.851 1.00 0.00 H +ATOM 1758 HA ALA A 119 17.961 19.729 3.898 1.00 0.00 H +ATOM 1759 HB1 ALA A 119 16.280 18.695 4.923 1.00 0.00 H +ATOM 1760 HB2 ALA A 119 15.461 18.366 3.396 1.00 0.00 H +ATOM 1761 HB3 ALA A 119 16.697 17.258 3.990 1.00 0.00 H +ATOM 1762 N ASP A 120 18.372 17.914 1.266 1.00 0.00 N +ATOM 1763 CA ASP A 120 19.292 17.033 0.557 1.00 0.00 C +ATOM 1764 C ASP A 120 20.581 17.767 0.200 1.00 0.00 C +ATOM 1765 O ASP A 120 21.656 17.169 0.154 1.00 0.00 O +ATOM 1766 CB ASP A 120 18.634 16.487 -0.711 1.00 0.00 C +ATOM 1767 CG ASP A 120 18.313 15.009 -0.607 1.00 0.00 C +ATOM 1768 OD1 ASP A 120 17.429 14.650 0.199 1.00 0.00 O +ATOM 1769 OD2 ASP A 120 18.946 14.212 -1.330 1.00 0.00 O +ATOM 1770 H ASP A 120 17.647 18.349 0.770 1.00 0.00 H +ATOM 1771 HA ASP A 120 19.532 16.208 1.210 1.00 0.00 H +ATOM 1772 HB2 ASP A 120 17.713 17.024 -0.891 1.00 0.00 H +ATOM 1773 HB3 ASP A 120 19.301 16.634 -1.548 1.00 0.00 H +ATOM 1774 N TYR A 121 20.465 19.066 -0.054 1.00 0.00 N +ATOM 1775 CA TYR A 121 21.620 19.881 -0.410 1.00 0.00 C +ATOM 1776 C TYR A 121 22.583 20.006 0.766 1.00 0.00 C +ATOM 1777 O TYR A 121 23.783 19.767 0.630 1.00 0.00 O +ATOM 1778 CB TYR A 121 21.169 21.271 -0.864 1.00 0.00 C +ATOM 1779 CG TYR A 121 22.299 22.271 -0.965 1.00 0.00 C +ATOM 1780 CD1 TYR A 121 23.520 21.916 -1.526 1.00 0.00 C +ATOM 1781 CD2 TYR A 121 22.146 23.571 -0.498 1.00 0.00 C +ATOM 1782 CE1 TYR A 121 24.555 22.826 -1.619 1.00 0.00 C +ATOM 1783 CE2 TYR A 121 23.175 24.488 -0.588 1.00 0.00 C +ATOM 1784 CZ TYR A 121 24.378 24.111 -1.149 1.00 0.00 C +ATOM 1785 OH TYR A 121 25.406 25.021 -1.240 1.00 0.00 O +ATOM 1786 H TYR A 121 19.581 19.487 -0.001 1.00 0.00 H +ATOM 1787 HA TYR A 121 22.130 19.394 -1.229 1.00 0.00 H +ATOM 1788 HB2 TYR A 121 20.709 21.193 -1.837 1.00 0.00 H +ATOM 1789 HB3 TYR A 121 20.447 21.656 -0.159 1.00 0.00 H +ATOM 1790 HD1 TYR A 121 23.655 20.909 -1.893 1.00 0.00 H +ATOM 1791 HD2 TYR A 121 21.203 23.863 -0.058 1.00 0.00 H +ATOM 1792 HE1 TYR A 121 25.496 22.531 -2.058 1.00 0.00 H +ATOM 1793 HE2 TYR A 121 23.037 25.494 -0.220 1.00 0.00 H +ATOM 1794 HH TYR A 121 25.653 25.133 -2.161 1.00 0.00 H +ATOM 1795 N LYS A 122 22.048 20.381 1.923 1.00 0.00 N +ATOM 1796 CA LYS A 122 22.857 20.536 3.126 1.00 0.00 C +ATOM 1797 C LYS A 122 23.581 19.237 3.466 1.00 0.00 C +ATOM 1798 O LYS A 122 24.616 19.248 4.133 1.00 0.00 O +ATOM 1799 CB LYS A 122 21.980 20.967 4.304 1.00 0.00 C +ATOM 1800 CG LYS A 122 21.039 22.113 3.974 1.00 0.00 C +ATOM 1801 CD LYS A 122 20.942 23.103 5.122 1.00 0.00 C +ATOM 1802 CE LYS A 122 19.512 23.238 5.623 1.00 0.00 C +ATOM 1803 NZ LYS A 122 19.460 23.737 7.025 1.00 0.00 N +ATOM 1804 H LYS A 122 21.084 20.557 1.969 1.00 0.00 H +ATOM 1805 HA LYS A 122 23.591 21.304 2.936 1.00 0.00 H +ATOM 1806 HB2 LYS A 122 21.387 20.123 4.623 1.00 0.00 H +ATOM 1807 HB3 LYS A 122 22.618 21.276 5.119 1.00 0.00 H +ATOM 1808 HG2 LYS A 122 21.407 22.628 3.099 1.00 0.00 H +ATOM 1809 HG3 LYS A 122 20.056 21.713 3.772 1.00 0.00 H +ATOM 1810 HD2 LYS A 122 21.565 22.761 5.935 1.00 0.00 H +ATOM 1811 HD3 LYS A 122 21.289 24.069 4.784 1.00 0.00 H +ATOM 1812 HE2 LYS A 122 18.985 23.930 4.984 1.00 0.00 H +ATOM 1813 HE3 LYS A 122 19.036 22.270 5.576 1.00 0.00 H +ATOM 1814 HZ1 LYS A 122 19.973 23.087 7.655 1.00 0.00 H +ATOM 1815 HZ2 LYS A 122 18.473 23.804 7.344 1.00 0.00 H +ATOM 1816 HZ3 LYS A 122 19.898 24.678 7.086 1.00 0.00 H +ATOM 1817 N SER A 123 23.030 18.119 3.003 1.00 0.00 N +ATOM 1818 CA SER A 123 23.623 16.812 3.261 1.00 0.00 C +ATOM 1819 C SER A 123 24.776 16.539 2.300 1.00 0.00 C +ATOM 1820 O SER A 123 25.620 15.680 2.552 1.00 0.00 O +ATOM 1821 CB SER A 123 22.564 15.715 3.131 1.00 0.00 C +ATOM 1822 OG SER A 123 21.559 15.856 4.119 1.00 0.00 O +ATOM 1823 H SER A 123 22.205 18.176 2.478 1.00 0.00 H +ATOM 1824 HA SER A 123 24.004 16.814 4.271 1.00 0.00 H +ATOM 1825 HB2 SER A 123 22.105 15.775 2.156 1.00 0.00 H +ATOM 1826 HB3 SER A 123 23.035 14.749 3.248 1.00 0.00 H +ATOM 1827 HG SER A 123 20.980 16.585 3.885 1.00 0.00 H +ATOM 1828 N LYS A 124 24.804 17.277 1.195 1.00 0.00 N +ATOM 1829 CA LYS A 124 25.852 17.118 0.195 1.00 0.00 C +ATOM 1830 C LYS A 124 27.144 17.790 0.648 1.00 0.00 C +ATOM 1831 O LYS A 124 28.236 17.404 0.230 1.00 0.00 O +ATOM 1832 CB LYS A 124 25.402 17.706 -1.144 1.00 0.00 C +ATOM 1833 CG LYS A 124 24.224 16.975 -1.765 1.00 0.00 C +ATOM 1834 CD LYS A 124 24.681 15.794 -2.604 1.00 0.00 C +ATOM 1835 CE LYS A 124 24.845 16.179 -4.066 1.00 0.00 C +ATOM 1836 NZ LYS A 124 24.999 14.984 -4.941 1.00 0.00 N +ATOM 1837 H LYS A 124 24.102 17.947 1.050 1.00 0.00 H +ATOM 1838 HA LYS A 124 26.035 16.061 0.070 1.00 0.00 H +ATOM 1839 HB2 LYS A 124 25.120 18.738 -0.994 1.00 0.00 H +ATOM 1840 HB3 LYS A 124 26.229 17.666 -1.838 1.00 0.00 H +ATOM 1841 HG2 LYS A 124 23.579 16.615 -0.977 1.00 0.00 H +ATOM 1842 HG3 LYS A 124 23.677 17.662 -2.394 1.00 0.00 H +ATOM 1843 HD2 LYS A 124 25.629 15.441 -2.228 1.00 0.00 H +ATOM 1844 HD3 LYS A 124 23.946 15.005 -2.529 1.00 0.00 H +ATOM 1845 HE2 LYS A 124 23.974 16.734 -4.379 1.00 0.00 H +ATOM 1846 HE3 LYS A 124 25.723 16.802 -4.164 1.00 0.00 H +ATOM 1847 HZ1 LYS A 124 25.358 14.180 -4.387 1.00 0.00 H +ATOM 1848 HZ2 LYS A 124 25.670 15.187 -5.709 1.00 0.00 H +ATOM 1849 HZ3 LYS A 124 24.082 14.724 -5.356 1.00 0.00 H +ATOM 1850 N ARG A 125 27.013 18.796 1.507 1.00 0.00 N +ATOM 1851 CA ARG A 125 28.170 19.521 2.017 1.00 0.00 C +ATOM 1852 C ARG A 125 28.455 19.138 3.467 1.00 0.00 C +ATOM 1853 O ARG A 125 29.476 19.529 4.032 1.00 0.00 O +ATOM 1854 CB ARG A 125 27.940 21.030 1.913 1.00 0.00 C +ATOM 1855 CG ARG A 125 26.788 21.531 2.768 1.00 0.00 C +ATOM 1856 CD ARG A 125 27.271 22.491 3.845 1.00 0.00 C +ATOM 1857 NE ARG A 125 26.347 22.556 4.974 1.00 0.00 N +ATOM 1858 CZ ARG A 125 26.625 23.174 6.116 1.00 0.00 C +ATOM 1859 NH1 ARG A 125 27.795 23.777 6.280 1.00 0.00 N +ATOM 1860 NH2 ARG A 125 25.733 23.190 7.098 1.00 0.00 N +ATOM 1861 H ARG A 125 26.116 19.058 1.803 1.00 0.00 H +ATOM 1862 HA ARG A 125 29.023 19.253 1.412 1.00 0.00 H +ATOM 1863 HB2 ARG A 125 28.839 21.542 2.223 1.00 0.00 H +ATOM 1864 HB3 ARG A 125 27.730 21.279 0.883 1.00 0.00 H +ATOM 1865 HG2 ARG A 125 26.079 22.044 2.136 1.00 0.00 H +ATOM 1866 HG3 ARG A 125 26.308 20.687 3.240 1.00 0.00 H +ATOM 1867 HD2 ARG A 125 28.235 22.159 4.199 1.00 0.00 H +ATOM 1868 HD3 ARG A 125 27.367 23.476 3.412 1.00 0.00 H +ATOM 1869 HE ARG A 125 25.477 22.117 4.875 1.00 0.00 H +ATOM 1870 HH11 ARG A 125 28.469 23.768 5.541 1.00 0.00 H +ATOM 1871 HH12 ARG A 125 28.002 24.243 7.141 1.00 0.00 H +ATOM 1872 HH21 ARG A 125 24.850 22.737 6.979 1.00 0.00 H +ATOM 1873 HH22 ARG A 125 25.944 23.655 7.957 1.00 0.00 H +ATOM 1874 N GLU A 126 27.545 18.373 4.061 1.00 0.00 N +ATOM 1875 CA GLU A 126 27.699 17.940 5.445 1.00 0.00 C +ATOM 1876 C GLU A 126 28.652 16.752 5.540 1.00 0.00 C +ATOM 1877 O GLU A 126 29.286 16.532 6.572 1.00 0.00 O +ATOM 1878 CB GLU A 126 26.340 17.566 6.040 1.00 0.00 C +ATOM 1879 CG GLU A 126 25.822 18.572 7.054 1.00 0.00 C +ATOM 1880 CD GLU A 126 26.213 18.221 8.477 1.00 0.00 C +ATOM 1881 OE1 GLU A 126 27.209 17.489 8.655 1.00 0.00 O +ATOM 1882 OE2 GLU A 126 25.522 18.678 9.411 1.00 0.00 O +ATOM 1883 H GLU A 126 26.752 18.095 3.558 1.00 0.00 H +ATOM 1884 HA GLU A 126 28.113 18.764 6.007 1.00 0.00 H +ATOM 1885 HB2 GLU A 126 25.619 17.489 5.240 1.00 0.00 H +ATOM 1886 HB3 GLU A 126 26.426 16.607 6.529 1.00 0.00 H +ATOM 1887 HG2 GLU A 126 26.226 19.545 6.816 1.00 0.00 H +ATOM 1888 HG3 GLU A 126 24.744 18.607 6.991 1.00 0.00 H +ATOM 1889 N ALA A 127 28.746 15.988 4.457 1.00 0.00 N +ATOM 1890 CA ALA A 127 29.622 14.824 4.417 1.00 0.00 C +ATOM 1891 C ALA A 127 30.531 14.862 3.193 1.00 0.00 C +ATOM 1892 O ALA A 127 30.120 14.505 2.089 1.00 0.00 O +ATOM 1893 CB ALA A 127 28.799 13.544 4.425 1.00 0.00 C +ATOM 1894 H ALA A 127 28.215 16.215 3.665 1.00 0.00 H +ATOM 1895 HA ALA A 127 30.233 14.835 5.308 1.00 0.00 H +ATOM 1896 HB1 ALA A 127 28.802 13.121 5.419 1.00 0.00 H +ATOM 1897 HB2 ALA A 127 27.784 13.767 4.131 1.00 0.00 H +ATOM 1898 HB3 ALA A 127 29.228 12.836 3.731 1.00 0.00 H +ATOM 1899 N LYS A 128 31.769 15.300 3.396 1.00 0.00 N +ATOM 1900 CA LYS A 128 32.738 15.385 2.309 1.00 0.00 C +ATOM 1901 C LYS A 128 34.136 15.672 2.848 1.00 0.00 C +ATOM 1902 O LYS A 128 34.788 14.757 3.348 1.00 0.00 O +ATOM 1903 CB LYS A 128 32.328 16.476 1.317 1.00 0.00 C +ATOM 1904 CG LYS A 128 33.376 16.756 0.254 1.00 0.00 C +ATOM 1905 CD LYS A 128 32.906 17.817 -0.727 1.00 0.00 C +ATOM 1906 CE LYS A 128 32.469 17.200 -2.047 1.00 0.00 C +ATOM 1907 NZ LYS A 128 32.419 18.210 -3.141 1.00 0.00 N +ATOM 1908 H LYS A 128 32.039 15.571 4.299 1.00 0.00 H +ATOM 1909 HA LYS A 128 32.751 14.433 1.800 1.00 0.00 H +ATOM 1910 HB2 LYS A 128 31.417 16.173 0.824 1.00 0.00 H +ATOM 1911 HB3 LYS A 128 32.146 17.391 1.862 1.00 0.00 H +ATOM 1912 HG2 LYS A 128 34.280 17.101 0.734 1.00 0.00 H +ATOM 1913 HG3 LYS A 128 33.579 15.843 -0.287 1.00 0.00 H +ATOM 1914 HD2 LYS A 128 32.069 18.347 -0.296 1.00 0.00 H +ATOM 1915 HD3 LYS A 128 33.716 18.508 -0.913 1.00 0.00 H +ATOM 1916 HE2 LYS A 128 33.169 16.425 -2.317 1.00 0.00 H +ATOM 1917 HE3 LYS A 128 31.486 16.770 -1.921 1.00 0.00 H +ATOM 1918 HZ1 LYS A 128 33.163 18.924 -3.002 1.00 0.00 H +ATOM 1919 HZ2 LYS A 128 31.494 18.686 -3.146 1.00 0.00 H +ATOM 1920 HZ3 LYS A 128 32.565 17.748 -4.061 1.00 0.00 H +TER 1921 LYS A 128 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_FS_KAIA_1R8JA_1R8QA/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_KAIA_1R8JA_1R8QA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3b790c58d74ae5d69d7b6f26cc2bf03cdfc57a82 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_KAIA_1R8JA_1R8QA/state_a.pdb @@ -0,0 +1,2199 @@ +ATOM 1 N VAL A 1 -0.386 -17.329 7.332 1.00 46.40 N +ATOM 2 CA VAL A 1 0.193 -15.984 7.013 1.00 46.17 C +ATOM 3 C VAL A 1 1.225 -15.575 8.092 1.00 45.18 C +ATOM 4 O VAL A 1 1.907 -14.551 7.992 1.00 45.23 O +ATOM 5 CB VAL A 1 -0.947 -14.923 6.766 1.00 46.36 C +ATOM 6 CG1 VAL A 1 -2.033 -15.000 7.847 1.00 47.77 C +ATOM 7 CG2 VAL A 1 -0.401 -13.495 6.614 1.00 46.91 C +ATOM 8 N LEU A 2 1.360 -16.418 9.106 1.00 44.10 N +ATOM 9 CA LEU A 2 2.295 -16.165 10.191 1.00 42.57 C +ATOM 10 C LEU A 2 3.563 -16.982 10.010 1.00 41.23 C +ATOM 11 O LEU A 2 3.538 -18.076 9.441 1.00 41.49 O +ATOM 12 CB LEU A 2 1.648 -16.511 11.526 1.00 42.68 C +ATOM 13 CG LEU A 2 0.248 -15.961 11.763 1.00 42.80 C +ATOM 14 CD1 LEU A 2 -0.585 -17.043 12.392 1.00 42.10 C +ATOM 15 CD2 LEU A 2 0.320 -14.713 12.633 1.00 43.18 C +ATOM 16 N SER A 3 4.675 -16.447 10.493 1.00 39.52 N +ATOM 17 CA SER A 3 5.935 -17.160 10.395 1.00 37.58 C +ATOM 18 C SER A 3 5.959 -18.312 11.390 1.00 36.50 C +ATOM 19 O SER A 3 5.446 -18.188 12.507 1.00 35.97 O +ATOM 20 CB SER A 3 7.091 -16.219 10.686 1.00 37.89 C +ATOM 21 OG SER A 3 8.322 -16.801 10.283 1.00 38.58 O +ATOM 22 N GLN A 4 6.558 -19.424 10.979 1.00 34.59 N +ATOM 23 CA GLN A 4 6.913 -20.501 11.891 1.00 33.91 C +ATOM 24 C GLN A 4 7.838 -19.952 12.979 1.00 31.76 C +ATOM 25 O GLN A 4 8.652 -19.058 12.708 1.00 31.41 O +ATOM 26 CB GLN A 4 7.620 -21.611 11.121 1.00 34.86 C +ATOM 27 CG GLN A 4 6.732 -22.237 10.047 1.00 38.48 C +ATOM 28 CD GLN A 4 6.837 -23.737 10.019 1.00 43.10 C +ATOM 29 OE1 GLN A 4 5.967 -24.438 10.547 1.00 46.15 O +ATOM 30 NE2 GLN A 4 7.910 -24.246 9.410 1.00 44.43 N +ATOM 31 N ILE A 5 7.696 -20.462 14.202 1.00 29.40 N +ATOM 32 CA ILE A 5 8.499 -19.974 15.329 1.00 27.70 C +ATOM 33 C ILE A 5 9.392 -21.091 15.859 1.00 26.94 C +ATOM 34 O ILE A 5 8.899 -22.158 16.236 1.00 26.01 O +ATOM 35 CB ILE A 5 7.605 -19.419 16.470 1.00 27.71 C +ATOM 36 CG1 ILE A 5 6.673 -18.319 15.947 1.00 27.86 C +ATOM 37 CG2 ILE A 5 8.478 -18.922 17.659 1.00 26.79 C +ATOM 38 CD1 ILE A 5 5.648 -17.832 16.965 1.00 29.73 C +ATOM 39 N ALA A 6 10.702 -20.835 15.892 1.00 25.94 N +ATOM 40 CA ALA A 6 11.652 -21.834 16.359 1.00 25.37 C +ATOM 41 C ALA A 6 11.944 -21.629 17.837 1.00 24.94 C +ATOM 42 O ALA A 6 12.510 -20.608 18.261 1.00 24.77 O +ATOM 43 CB ALA A 6 12.935 -21.803 15.531 1.00 25.17 C +ATOM 44 N ILE A 7 11.509 -22.607 18.617 1.00 24.62 N +ATOM 45 CA ILE A 7 11.661 -22.590 20.056 1.00 24.34 C +ATOM 46 C ILE A 7 12.722 -23.580 20.478 1.00 24.14 C +ATOM 47 O ILE A 7 12.695 -24.733 20.079 1.00 24.66 O +ATOM 48 CB ILE A 7 10.327 -22.955 20.718 1.00 24.36 C +ATOM 49 CG1 ILE A 7 9.183 -22.141 20.092 1.00 25.79 C +ATOM 50 CG2 ILE A 7 10.420 -22.808 22.260 1.00 25.03 C +ATOM 51 CD1 ILE A 7 8.605 -21.079 20.965 1.00 26.93 C +ATOM 52 N CYS A 8 13.646 -23.125 21.300 1.00 23.95 N +ATOM 53 CA CYS A 8 14.628 -23.996 21.902 1.00 24.46 C +ATOM 54 C CYS A 8 14.373 -24.064 23.419 1.00 24.66 C +ATOM 55 O CYS A 8 14.379 -23.042 24.103 1.00 24.77 O +ATOM 56 CB CYS A 8 16.014 -23.469 21.572 1.00 24.71 C +ATOM 57 SG CYS A 8 17.328 -24.367 22.397 1.00 28.00 S +ATOM 58 N ILE A 9 14.100 -25.262 23.928 1.00 24.21 N +ATOM 59 CA ILE A 9 13.766 -25.440 25.336 1.00 24.91 C +ATOM 60 C ILE A 9 14.884 -26.180 26.071 1.00 24.90 C +ATOM 61 O ILE A 9 15.320 -27.255 25.628 1.00 24.62 O +ATOM 62 CB ILE A 9 12.433 -26.223 25.497 1.00 25.08 C +ATOM 63 CG1 ILE A 9 11.383 -25.730 24.478 1.00 26.38 C +ATOM 64 CG2 ILE A 9 11.912 -26.095 26.946 1.00 26.16 C +ATOM 65 CD1 ILE A 9 9.953 -26.317 24.661 1.00 28.11 C +ATOM 66 N TRP A 10 15.329 -25.613 27.193 1.00 24.56 N +ATOM 67 CA TRP A 10 16.272 -26.300 28.060 1.00 25.08 C +ATOM 68 C TRP A 10 15.510 -26.783 29.275 1.00 25.22 C +ATOM 69 O TRP A 10 15.209 -26.008 30.177 1.00 25.05 O +ATOM 70 CB TRP A 10 17.471 -25.408 28.466 1.00 24.81 C +ATOM 71 CG TRP A 10 18.407 -26.106 29.440 1.00 24.73 C +ATOM 72 CD1 TRP A 10 18.652 -27.451 29.517 1.00 24.41 C +ATOM 73 CD2 TRP A 10 19.214 -25.496 30.470 1.00 25.22 C +ATOM 74 NE1 TRP A 10 19.537 -27.718 30.535 1.00 26.06 N +ATOM 75 CE2 TRP A 10 19.905 -26.542 31.136 1.00 25.90 C +ATOM 76 CE3 TRP A 10 19.410 -24.174 30.912 1.00 25.95 C +ATOM 77 CZ2 TRP A 10 20.791 -26.310 32.206 1.00 24.43 C +ATOM 78 CZ3 TRP A 10 20.292 -23.943 31.991 1.00 23.55 C +ATOM 79 CH2 TRP A 10 20.970 -25.007 32.616 1.00 24.47 C +ATOM 80 N VAL A 11 15.210 -28.081 29.283 1.00 25.72 N +ATOM 81 CA VAL A 11 14.315 -28.663 30.277 1.00 26.57 C +ATOM 82 C VAL A 11 14.822 -30.044 30.704 1.00 27.44 C +ATOM 83 O VAL A 11 15.256 -30.835 29.872 1.00 27.29 O +ATOM 84 CB VAL A 11 12.865 -28.756 29.719 1.00 26.90 C +ATOM 85 CG1 VAL A 11 12.850 -29.487 28.348 1.00 26.56 C +ATOM 86 CG2 VAL A 11 11.923 -29.406 30.711 1.00 24.85 C +ATOM 87 N GLU A 12 14.775 -30.319 32.001 1.00 28.76 N +ATOM 88 CA GLU A 12 15.266 -31.591 32.522 1.00 30.63 C +ATOM 89 C GLU A 12 14.234 -32.247 33.431 1.00 31.74 C +ATOM 90 O GLU A 12 14.582 -33.034 34.305 1.00 33.07 O +ATOM 91 CB GLU A 12 16.607 -31.393 33.247 1.00 30.46 C +ATOM 92 CG GLU A 12 17.664 -30.705 32.396 1.00 31.35 C +ATOM 93 CD GLU A 12 19.040 -30.694 33.034 1.00 33.51 C +ATOM 94 OE1 GLU A 12 19.284 -31.515 33.945 1.00 32.88 O +ATOM 95 OE2 GLU A 12 19.876 -29.864 32.609 1.00 33.98 O +ATOM 96 N SER A 13 12.962 -31.910 33.214 1.00 32.21 N +ATOM 97 CA SER A 13 11.844 -32.487 33.945 1.00 32.03 C +ATOM 98 C SER A 13 10.817 -33.000 32.941 1.00 31.82 C +ATOM 99 O SER A 13 10.377 -32.259 32.057 1.00 31.35 O +ATOM 100 CB SER A 13 11.214 -31.432 34.869 1.00 32.41 C +ATOM 101 OG SER A 13 9.819 -31.654 35.049 1.00 33.10 O +ATOM 102 N THR A 14 10.448 -34.273 33.062 1.00 31.07 N +ATOM 103 CA THR A 14 9.419 -34.847 32.201 1.00 30.84 C +ATOM 104 C THR A 14 8.117 -34.048 32.227 1.00 29.73 C +ATOM 105 O THR A 14 7.548 -33.752 31.180 1.00 29.45 O +ATOM 106 CB THR A 14 9.149 -36.315 32.576 1.00 31.14 C +ATOM 107 OG1 THR A 14 10.375 -37.047 32.494 1.00 33.43 O +ATOM 108 CG2 THR A 14 8.268 -36.978 31.523 1.00 31.54 C +ATOM 109 N ALA A 15 7.664 -33.692 33.420 1.00 28.98 N +ATOM 110 CA ALA A 15 6.402 -32.971 33.578 1.00 28.58 C +ATOM 111 C ALA A 15 6.416 -31.604 32.872 1.00 28.10 C +ATOM 112 O ALA A 15 5.445 -31.238 32.204 1.00 28.09 O +ATOM 113 CB ALA A 15 6.062 -32.821 35.047 1.00 28.38 C +ATOM 114 N ILE A 16 7.523 -30.868 32.990 1.00 27.51 N +ATOM 115 CA ILE A 16 7.634 -29.545 32.359 1.00 26.36 C +ATOM 116 C ILE A 16 7.670 -29.683 30.845 1.00 26.29 C +ATOM 117 O ILE A 16 7.036 -28.912 30.127 1.00 26.10 O +ATOM 118 CB ILE A 16 8.876 -28.762 32.885 1.00 26.47 C +ATOM 119 CG1 ILE A 16 8.743 -28.504 34.395 1.00 26.53 C +ATOM 120 CG2 ILE A 16 9.087 -27.438 32.090 1.00 23.96 C +ATOM 121 CD1 ILE A 16 9.879 -27.661 35.021 1.00 26.02 C +ATOM 122 N LEU A 17 8.408 -30.676 30.364 1.00 26.10 N +ATOM 123 CA LEU A 17 8.547 -30.881 28.930 1.00 26.70 C +ATOM 124 C LEU A 17 7.197 -31.214 28.299 1.00 26.95 C +ATOM 125 O LEU A 17 6.876 -30.714 27.227 1.00 27.11 O +ATOM 126 CB LEU A 17 9.549 -32.003 28.632 1.00 26.13 C +ATOM 127 CG LEU A 17 9.722 -32.398 27.157 1.00 27.28 C +ATOM 128 CD1 LEU A 17 10.028 -31.206 26.274 1.00 27.75 C +ATOM 129 CD2 LEU A 17 10.786 -33.485 26.977 1.00 29.66 C +ATOM 130 N GLN A 18 6.436 -32.076 28.964 1.00 27.24 N +ATOM 131 CA GLN A 18 5.094 -32.459 28.498 1.00 27.97 C +ATOM 132 C GLN A 18 4.131 -31.269 28.443 1.00 27.51 C +ATOM 133 O GLN A 18 3.384 -31.115 27.487 1.00 27.33 O +ATOM 134 CB GLN A 18 4.530 -33.545 29.407 1.00 27.88 C +ATOM 135 CG GLN A 18 4.985 -34.953 29.052 1.00 30.52 C +ATOM 136 CD GLN A 18 4.685 -35.953 30.164 1.00 33.87 C +ATOM 137 OE1 GLN A 18 4.290 -35.564 31.279 1.00 34.80 O +ATOM 138 NE2 GLN A 18 4.869 -37.237 29.871 1.00 34.74 N +ATOM 139 N ASP A 19 4.155 -30.431 29.475 1.00 27.89 N +ATOM 140 CA ASP A 19 3.377 -29.187 29.484 1.00 27.86 C +ATOM 141 C ASP A 19 3.762 -28.247 28.329 1.00 27.66 C +ATOM 142 O ASP A 19 2.889 -27.694 27.658 1.00 27.02 O +ATOM 143 CB ASP A 19 3.523 -28.491 30.837 1.00 28.30 C +ATOM 144 CG ASP A 19 2.763 -29.206 31.935 1.00 31.32 C +ATOM 145 OD1 ASP A 19 2.852 -28.789 33.116 1.00 32.40 O +ATOM 146 OD2 ASP A 19 2.038 -30.203 31.700 1.00 34.42 O +ATOM 147 N CYS A 20 5.066 -28.090 28.089 1.00 27.14 N +ATOM 148 CA CYS A 20 5.556 -27.301 26.962 1.00 26.70 C +ATOM 149 C CYS A 20 5.115 -27.870 25.604 1.00 26.32 C +ATOM 150 O CYS A 20 4.636 -27.132 24.732 1.00 25.77 O +ATOM 151 CB CYS A 20 7.091 -27.215 27.018 1.00 26.91 C +ATOM 152 SG CYS A 20 7.672 -26.153 28.352 1.00 27.20 S +ATOM 153 N GLN A 21 5.286 -29.179 25.421 1.00 26.22 N +ATOM 154 CA GLN A 21 4.926 -29.820 24.152 1.00 27.13 C +ATOM 155 C GLN A 21 3.435 -29.708 23.880 1.00 27.17 C +ATOM 156 O GLN A 21 3.030 -29.436 22.760 1.00 27.81 O +ATOM 157 CB GLN A 21 5.348 -31.292 24.136 1.00 27.34 C +ATOM 158 CG GLN A 21 6.844 -31.496 24.188 1.00 28.48 C +ATOM 159 CD GLN A 21 7.245 -32.950 24.265 1.00 31.55 C +ATOM 160 OE1 GLN A 21 8.157 -33.380 23.553 1.00 34.34 O +ATOM 161 NE2 GLN A 21 6.585 -33.710 25.127 1.00 31.09 N +ATOM 162 N ARG A 22 2.631 -29.904 24.916 1.00 27.72 N +ATOM 163 CA ARG A 22 1.179 -29.769 24.813 1.00 28.41 C +ATOM 164 C ARG A 22 0.761 -28.352 24.396 1.00 28.39 C +ATOM 165 O ARG A 22 -0.035 -28.171 23.458 1.00 28.61 O +ATOM 166 CB ARG A 22 0.521 -30.150 26.148 1.00 27.97 C +ATOM 167 CG ARG A 22 -1.013 -30.076 26.143 1.00 30.79 C +ATOM 168 CD ARG A 22 -1.690 -31.162 25.322 1.00 33.88 C +ATOM 169 NE ARG A 22 -3.147 -31.084 25.430 1.00 37.98 N +ATOM 170 CZ ARG A 22 -3.874 -31.755 26.317 1.00 39.52 C +ATOM 171 NH1 ARG A 22 -3.287 -32.567 27.192 1.00 38.65 N +ATOM 172 NH2 ARG A 22 -5.197 -31.609 26.328 1.00 41.16 N +ATOM 173 N ALA A 23 1.306 -27.347 25.081 1.00 27.70 N +ATOM 174 CA ALA A 23 0.943 -25.958 24.820 1.00 27.48 C +ATOM 175 C ALA A 23 1.384 -25.463 23.431 1.00 27.52 C +ATOM 176 O ALA A 23 0.707 -24.640 22.811 1.00 28.01 O +ATOM 177 CB ALA A 23 1.502 -25.050 25.918 1.00 27.16 C +ATOM 178 N LEU A 24 2.519 -25.956 22.961 1.00 27.84 N +ATOM 179 CA LEU A 24 3.080 -25.524 21.684 1.00 29.04 C +ATOM 180 C LEU A 24 2.985 -26.634 20.642 1.00 30.17 C +ATOM 181 O LEU A 24 3.884 -26.815 19.831 1.00 30.63 O +ATOM 182 CB LEU A 24 4.538 -25.068 21.864 1.00 28.48 C +ATOM 183 CG LEU A 24 4.800 -23.938 22.857 1.00 28.01 C +ATOM 184 CD1 LEU A 24 6.313 -23.780 23.183 1.00 29.38 C +ATOM 185 CD2 LEU A 24 4.209 -22.611 22.357 1.00 27.34 C +ATOM 186 N SER A 25 1.878 -27.369 20.671 1.00 31.80 N +ATOM 187 CA SER A 25 1.682 -28.501 19.771 1.00 33.39 C +ATOM 188 C SER A 25 1.349 -28.092 18.324 1.00 33.77 C +ATOM 189 O SER A 25 1.529 -28.901 17.411 1.00 34.04 O +ATOM 190 CB SER A 25 0.602 -29.444 20.327 1.00 33.34 C +ATOM 191 OG SER A 25 -0.660 -28.797 20.313 1.00 34.83 O +ATOM 192 N ALA A 26 0.890 -26.853 18.112 1.00 34.23 N +ATOM 193 CA ALA A 26 0.521 -26.387 16.760 1.00 34.82 C +ATOM 194 C ALA A 26 1.698 -26.494 15.781 1.00 35.80 C +ATOM 195 O ALA A 26 2.866 -26.430 16.186 1.00 35.75 O +ATOM 196 CB ALA A 26 0.000 -24.966 16.794 1.00 34.32 C +ATOM 197 N ASP A 27 1.372 -26.628 14.497 1.00 36.37 N +ATOM 198 CA ASP A 27 2.358 -26.746 13.428 1.00 37.33 C +ATOM 199 C ASP A 27 3.288 -25.538 13.336 1.00 36.85 C +ATOM 200 O ASP A 27 4.418 -25.651 12.851 1.00 37.08 O +ATOM 201 CB ASP A 27 1.645 -26.935 12.088 1.00 37.95 C +ATOM 202 CG ASP A 27 0.791 -28.185 12.055 1.00 41.69 C +ATOM 203 OD1 ASP A 27 -0.113 -28.267 11.182 1.00 44.16 O +ATOM 204 OD2 ASP A 27 0.946 -29.138 12.863 1.00 44.96 O +ATOM 205 N ARG A 28 2.801 -24.389 13.797 1.00 35.90 N +ATOM 206 CA ARG A 28 3.583 -23.164 13.827 1.00 35.40 C +ATOM 207 C ARG A 28 4.886 -23.262 14.639 1.00 34.46 C +ATOM 208 O ARG A 28 5.889 -22.643 14.279 1.00 35.06 O +ATOM 209 CB ARG A 28 2.736 -22.032 14.390 1.00 35.57 C +ATOM 210 CG ARG A 28 3.482 -20.735 14.461 1.00 35.93 C +ATOM 211 CD ARG A 28 2.604 -19.548 14.480 1.00 34.69 C +ATOM 212 NE ARG A 28 3.350 -18.353 14.127 1.00 33.01 N +ATOM 213 CZ ARG A 28 3.107 -17.159 14.633 1.00 31.99 C +ATOM 214 NH1 ARG A 28 2.135 -17.006 15.531 1.00 29.86 N +ATOM 215 NH2 ARG A 28 3.841 -16.124 14.251 1.00 30.23 N +ATOM 216 N TYR A 29 4.867 -24.029 15.723 1.00 32.90 N +ATOM 217 CA TYR A 29 6.015 -24.102 16.624 1.00 31.79 C +ATOM 218 C TYR A 29 6.929 -25.261 16.292 1.00 31.69 C +ATOM 219 O TYR A 29 6.493 -26.415 16.240 1.00 31.57 O +ATOM 220 CB TYR A 29 5.554 -24.188 18.079 1.00 31.44 C +ATOM 221 CG TYR A 29 4.666 -23.047 18.443 1.00 31.11 C +ATOM 222 CD1 TYR A 29 3.300 -23.237 18.613 1.00 29.67 C +ATOM 223 CD2 TYR A 29 5.184 -21.751 18.560 1.00 29.80 C +ATOM 224 CE1 TYR A 29 2.473 -22.173 18.927 1.00 30.15 C +ATOM 225 CE2 TYR A 29 4.368 -20.683 18.869 1.00 30.35 C +ATOM 226 CZ TYR A 29 3.011 -20.900 19.047 1.00 30.54 C +ATOM 227 OH TYR A 29 2.196 -19.839 19.357 1.00 31.25 O +ATOM 228 N GLN A 30 8.199 -24.939 16.069 1.00 31.20 N +ATOM 229 CA GLN A 30 9.220 -25.950 15.869 1.00 31.39 C +ATOM 230 C GLN A 30 10.107 -25.985 17.108 1.00 30.80 C +ATOM 231 O GLN A 30 10.878 -25.038 17.386 1.00 30.08 O +ATOM 232 CB GLN A 30 10.038 -25.647 14.626 1.00 32.00 C +ATOM 233 CG GLN A 30 9.222 -25.686 13.332 1.00 36.16 C +ATOM 234 CD GLN A 30 9.735 -24.718 12.277 1.00 41.50 C +ATOM 235 OE1 GLN A 30 9.157 -24.621 11.192 1.00 43.87 O +ATOM 236 NE2 GLN A 30 10.823 -24.002 12.585 1.00 43.96 N +ATOM 237 N LEU A 31 9.995 -27.086 17.835 1.00 29.65 N +ATOM 238 CA LEU A 31 10.610 -27.222 19.149 1.00 30.28 C +ATOM 239 C LEU A 31 11.925 -27.974 19.051 1.00 29.87 C +ATOM 240 O LEU A 31 11.990 -29.051 18.444 1.00 29.90 O +ATOM 241 CB LEU A 31 9.659 -27.968 20.102 1.00 30.10 C +ATOM 242 CG LEU A 31 8.623 -27.195 20.938 1.00 31.91 C +ATOM 243 CD1 LEU A 31 8.008 -26.012 20.220 1.00 31.19 C +ATOM 244 CD2 LEU A 31 7.528 -28.113 21.447 1.00 31.99 C +ATOM 245 N GLN A 32 12.972 -27.395 19.633 1.00 28.90 N +ATOM 246 CA GLN A 32 14.221 -28.118 19.868 1.00 28.56 C +ATOM 247 C GLN A 32 14.390 -28.294 21.384 1.00 28.44 C +ATOM 248 O GLN A 32 14.438 -27.318 22.130 1.00 27.86 O +ATOM 249 CB GLN A 32 15.412 -27.363 19.270 1.00 28.86 C +ATOM 250 CG GLN A 32 16.790 -27.924 19.689 1.00 29.88 C +ATOM 251 CD GLN A 32 17.034 -29.339 19.178 1.00 32.06 C +ATOM 252 OE1 GLN A 32 17.295 -30.254 19.963 1.00 36.39 O +ATOM 253 NE2 GLN A 32 16.942 -29.522 17.870 1.00 31.21 N +ATOM 254 N VAL A 33 14.447 -29.543 21.832 1.00 28.14 N +ATOM 255 CA VAL A 33 14.543 -29.840 23.250 1.00 28.21 C +ATOM 256 C VAL A 33 16.015 -30.066 23.574 1.00 28.44 C +ATOM 257 O VAL A 33 16.683 -30.872 22.916 1.00 28.64 O +ATOM 258 CB VAL A 33 13.686 -31.068 23.631 1.00 28.23 C +ATOM 259 CG1 VAL A 33 13.853 -31.428 25.105 1.00 28.05 C +ATOM 260 CG2 VAL A 33 12.205 -30.806 23.296 1.00 28.44 C +ATOM 261 N CYS A 34 16.515 -29.325 24.559 1.00 27.48 N +ATOM 262 CA CYS A 34 17.891 -29.455 25.002 1.00 27.98 C +ATOM 263 C CYS A 34 17.829 -30.003 26.397 1.00 27.63 C +ATOM 264 O CYS A 34 17.193 -29.418 27.255 1.00 26.17 O +ATOM 265 CB CYS A 34 18.611 -28.098 24.968 1.00 27.50 C +ATOM 266 SG CYS A 34 18.967 -27.534 23.300 1.00 30.42 S +ATOM 267 N GLU A 35 18.468 -31.154 26.613 1.00 28.49 N +ATOM 268 CA GLU A 35 18.293 -31.881 27.869 1.00 29.53 C +ATOM 269 C GLU A 35 19.463 -31.760 28.849 1.00 29.26 C +ATOM 270 O GLU A 35 19.501 -32.438 29.871 1.00 29.71 O +ATOM 271 CB GLU A 35 17.939 -33.345 27.578 1.00 30.62 C +ATOM 272 CG GLU A 35 16.567 -33.479 26.910 1.00 33.18 C +ATOM 273 CD GLU A 35 16.135 -34.915 26.717 1.00 35.77 C +ATOM 274 OE1 GLU A 35 15.863 -35.591 27.726 1.00 38.09 O +ATOM 275 OE2 GLU A 35 16.061 -35.359 25.557 1.00 39.19 O +ATOM 276 N SER A 36 20.397 -30.865 28.551 1.00 28.95 N +ATOM 277 CA SER A 36 21.500 -30.567 29.461 1.00 28.48 C +ATOM 278 C SER A 36 22.062 -29.192 29.111 1.00 27.80 C +ATOM 279 O SER A 36 21.902 -28.720 27.978 1.00 27.11 O +ATOM 280 CB SER A 36 22.603 -31.631 29.339 1.00 28.59 C +ATOM 281 OG SER A 36 23.154 -31.604 28.036 1.00 28.11 O +ATOM 282 N GLY A 37 22.714 -28.562 30.087 1.00 27.72 N +ATOM 283 CA GLY A 37 23.411 -27.304 29.871 1.00 27.65 C +ATOM 284 C GLY A 37 24.401 -27.370 28.721 1.00 28.04 C +ATOM 285 O GLY A 37 24.449 -26.475 27.893 1.00 26.83 O +ATOM 286 N GLU A 38 25.185 -28.448 28.664 1.00 28.85 N +ATOM 287 CA GLU A 38 26.183 -28.612 27.607 1.00 29.96 C +ATOM 288 C GLU A 38 25.551 -28.642 26.224 1.00 29.27 C +ATOM 289 O GLU A 38 26.029 -27.983 25.299 1.00 28.35 O +ATOM 290 CB GLU A 38 27.037 -29.859 27.865 1.00 30.70 C +ATOM 291 CG GLU A 38 27.645 -29.855 29.268 1.00 35.07 C +ATOM 292 CD GLU A 38 29.076 -30.351 29.304 1.00 40.56 C +ATOM 293 OE1 GLU A 38 29.989 -29.542 29.618 1.00 43.68 O +ATOM 294 OE2 GLU A 38 29.286 -31.557 29.030 1.00 43.72 O +ATOM 295 N MET A 39 24.466 -29.405 26.093 1.00 29.57 N +ATOM 296 CA MET A 39 23.710 -29.462 24.841 1.00 29.82 C +ATOM 297 C MET A 39 23.205 -28.069 24.443 1.00 28.85 C +ATOM 298 O MET A 39 23.365 -27.636 23.295 1.00 28.28 O +ATOM 299 CB MET A 39 22.537 -30.443 24.976 1.00 30.36 C +ATOM 300 CG MET A 39 21.657 -30.526 23.736 1.00 34.41 C +ATOM 301 SD MET A 39 20.563 -31.962 23.739 1.00 41.91 S +ATOM 302 CE MET A 39 19.907 -31.808 22.050 1.00 39.40 C +ATOM 303 N LEU A 40 22.613 -27.365 25.402 1.00 28.31 N +ATOM 304 CA LEU A 40 22.075 -26.028 25.138 1.00 27.88 C +ATOM 305 C LEU A 40 23.152 -25.075 24.624 1.00 27.47 C +ATOM 306 O LEU A 40 22.995 -24.456 23.579 1.00 26.61 O +ATOM 307 CB LEU A 40 21.414 -25.441 26.386 1.00 27.55 C +ATOM 308 CG LEU A 40 20.958 -23.986 26.159 1.00 27.84 C +ATOM 309 CD1 LEU A 40 19.711 -23.913 25.256 1.00 29.16 C +ATOM 310 CD2 LEU A 40 20.727 -23.291 27.465 1.00 26.62 C +ATOM 311 N LEU A 41 24.253 -24.985 25.368 1.00 27.77 N +ATOM 312 CA LEU A 41 25.376 -24.113 25.003 1.00 27.52 C +ATOM 313 C LEU A 41 25.900 -24.438 23.607 1.00 27.46 C +ATOM 314 O LEU A 41 26.221 -23.547 22.833 1.00 26.89 O +ATOM 315 CB LEU A 41 26.497 -24.207 26.059 1.00 27.02 C +ATOM 316 CG LEU A 41 26.115 -23.551 27.388 1.00 27.33 C +ATOM 317 CD1 LEU A 41 27.164 -23.776 28.455 1.00 26.55 C +ATOM 318 CD2 LEU A 41 25.793 -22.040 27.226 1.00 28.28 C +ATOM 319 N GLU A 42 25.957 -25.722 23.280 1.00 28.64 N +ATOM 320 CA GLU A 42 26.488 -26.141 21.992 1.00 30.10 C +ATOM 321 C GLU A 42 25.502 -25.823 20.875 1.00 29.74 C +ATOM 322 O GLU A 42 25.880 -25.231 19.860 1.00 29.27 O +ATOM 323 CB GLU A 42 26.839 -27.631 22.005 1.00 30.77 C +ATOM 324 CG GLU A 42 27.521 -28.098 20.727 1.00 36.43 C +ATOM 325 CD GLU A 42 28.823 -28.831 20.995 1.00 43.05 C +ATOM 326 OE1 GLU A 42 28.994 -29.950 20.459 1.00 45.85 O +ATOM 327 OE2 GLU A 42 29.684 -28.284 21.736 1.00 46.88 O +ATOM 328 N TYR A 43 24.240 -26.211 21.077 1.00 29.92 N +ATOM 329 CA TYR A 43 23.170 -25.891 20.136 1.00 29.92 C +ATOM 330 C TYR A 43 23.031 -24.375 19.914 1.00 30.32 C +ATOM 331 O TYR A 43 22.969 -23.912 18.766 1.00 29.63 O +ATOM 332 CB TYR A 43 21.821 -26.497 20.583 1.00 29.59 C +ATOM 333 CG TYR A 43 20.718 -26.225 19.572 1.00 29.89 C +ATOM 334 CD1 TYR A 43 20.599 -27.002 18.409 1.00 29.45 C +ATOM 335 CD2 TYR A 43 19.824 -25.169 19.752 1.00 29.23 C +ATOM 336 CE1 TYR A 43 19.608 -26.735 17.463 1.00 29.01 C +ATOM 337 CE2 TYR A 43 18.838 -24.890 18.813 1.00 27.86 C +ATOM 338 CZ TYR A 43 18.739 -25.675 17.673 1.00 28.67 C +ATOM 339 OH TYR A 43 17.761 -25.403 16.759 1.00 27.76 O +ATOM 340 N ALA A 44 22.970 -23.605 21.000 1.00 31.29 N +ATOM 341 CA ALA A 44 22.836 -22.138 20.874 1.00 32.69 C +ATOM 342 C ALA A 44 23.942 -21.500 20.037 1.00 33.64 C +ATOM 343 O ALA A 44 23.661 -20.653 19.191 1.00 34.44 O +ATOM 344 CB ALA A 44 22.750 -21.472 22.241 1.00 32.84 C +ATOM 345 N GLN A 45 25.189 -21.919 20.259 1.00 34.82 N +ATOM 346 CA GLN A 45 26.348 -21.379 19.531 1.00 35.74 C +ATOM 347 C GLN A 45 26.330 -21.739 18.049 1.00 36.51 C +ATOM 348 O GLN A 45 26.720 -20.920 17.206 1.00 37.13 O +ATOM 349 CB GLN A 45 27.662 -21.852 20.175 1.00 36.08 C +ATOM 350 CG GLN A 45 28.971 -21.386 19.486 1.00 36.13 C +ATOM 351 CD GLN A 45 29.481 -22.376 18.437 1.00 37.25 C +ATOM 352 OE1 GLN A 45 29.591 -22.035 17.260 1.00 38.64 O +ATOM 353 NE2 GLN A 45 29.786 -23.595 18.859 1.00 37.93 N +ATOM 354 N THR A 46 25.890 -22.958 17.734 1.00 36.68 N +ATOM 355 CA THR A 46 25.868 -23.425 16.348 1.00 37.10 C +ATOM 356 C THR A 46 24.594 -22.999 15.619 1.00 37.56 C +ATOM 357 O THR A 46 24.544 -23.018 14.386 1.00 37.23 O +ATOM 358 CB THR A 46 26.053 -24.970 16.258 1.00 37.11 C +ATOM 359 OG1 THR A 46 25.139 -25.625 17.142 1.00 36.23 O +ATOM 360 CG2 THR A 46 27.427 -25.405 16.788 1.00 37.64 C +ATOM 361 N HIS A 47 23.572 -22.610 16.378 1.00 37.90 N +ATOM 362 CA HIS A 47 22.287 -22.249 15.789 1.00 38.51 C +ATOM 363 C HIS A 47 21.813 -20.851 16.197 1.00 38.99 C +ATOM 364 O HIS A 47 20.606 -20.590 16.239 1.00 38.74 O +ATOM 365 CB HIS A 47 21.231 -23.301 16.147 1.00 38.47 C +ATOM 366 CG HIS A 47 21.487 -24.648 15.547 1.00 38.79 C +ATOM 367 ND1 HIS A 47 22.406 -25.534 16.068 1.00 39.76 N +ATOM 368 CD2 HIS A 47 20.939 -25.264 14.473 1.00 39.45 C +ATOM 369 CE1 HIS A 47 22.418 -26.634 15.336 1.00 40.59 C +ATOM 370 NE2 HIS A 47 21.534 -26.496 14.363 1.00 39.57 N +ATOM 371 N ARG A 48 22.757 -19.946 16.465 1.00 39.71 N +ATOM 372 CA ARG A 48 22.420 -18.608 16.981 1.00 40.67 C +ATOM 373 C ARG A 48 21.498 -17.760 16.094 1.00 40.44 C +ATOM 374 O ARG A 48 20.867 -16.821 16.583 1.00 40.80 O +ATOM 375 CB ARG A 48 23.676 -17.813 17.377 1.00 41.20 C +ATOM 376 CG ARG A 48 24.830 -17.857 16.378 1.00 42.83 C +ATOM 377 CD ARG A 48 26.002 -16.955 16.748 1.00 45.00 C +ATOM 378 NE ARG A 48 27.071 -17.669 17.454 1.00 46.01 N +ATOM 379 CZ ARG A 48 27.647 -17.248 18.582 1.00 46.26 C +ATOM 380 NH1 ARG A 48 27.262 -16.109 19.153 1.00 43.30 N +ATOM 381 NH2 ARG A 48 28.615 -17.973 19.145 1.00 46.49 N +ATOM 382 N ASP A 49 21.410 -18.094 14.807 1.00 40.14 N +ATOM 383 CA ASP A 49 20.530 -17.375 13.891 1.00 40.00 C +ATOM 384 C ASP A 49 19.272 -18.175 13.575 1.00 38.87 C +ATOM 385 O ASP A 49 18.497 -17.799 12.697 1.00 39.26 O +ATOM 386 CB ASP A 49 21.274 -16.999 12.597 1.00 40.80 C +ATOM 387 CG ASP A 49 22.544 -16.204 12.861 1.00 43.07 C +ATOM 388 OD1 ASP A 49 23.516 -16.362 12.090 1.00 46.55 O +ATOM 389 OD2 ASP A 49 22.673 -15.409 13.820 1.00 45.41 O +ATOM 390 N GLN A 50 19.074 -19.271 14.304 1.00 37.34 N +ATOM 391 CA GLN A 50 17.943 -20.160 14.092 1.00 35.62 C +ATOM 392 C GLN A 50 17.098 -20.392 15.349 1.00 33.58 C +ATOM 393 O GLN A 50 16.350 -21.370 15.429 1.00 33.64 O +ATOM 394 CB GLN A 50 18.448 -21.492 13.571 1.00 36.24 C +ATOM 395 CG GLN A 50 18.939 -21.434 12.139 1.00 38.71 C +ATOM 396 CD GLN A 50 20.008 -22.452 11.903 1.00 40.55 C +ATOM 397 OE1 GLN A 50 19.706 -23.584 11.541 1.00 42.91 O +ATOM 398 NE2 GLN A 50 21.259 -22.077 12.155 1.00 41.61 N +ATOM 399 N ILE A 51 17.229 -19.503 16.329 1.00 31.21 N +ATOM 400 CA ILE A 51 16.432 -19.572 17.556 1.00 28.82 C +ATOM 401 C ILE A 51 15.625 -18.294 17.712 1.00 27.83 C +ATOM 402 O ILE A 51 16.196 -17.203 17.876 1.00 27.83 O +ATOM 403 CB ILE A 51 17.336 -19.773 18.807 1.00 28.55 C +ATOM 404 CG1 ILE A 51 18.076 -21.121 18.738 1.00 28.83 C +ATOM 405 CG2 ILE A 51 16.501 -19.738 20.091 1.00 27.17 C +ATOM 406 CD1 ILE A 51 19.328 -21.185 19.592 1.00 26.76 C +ATOM 407 N ASP A 52 14.302 -18.427 17.674 1.00 26.24 N +ATOM 408 CA ASP A 52 13.431 -17.268 17.831 1.00 25.35 C +ATOM 409 C ASP A 52 13.147 -16.973 19.299 1.00 24.54 C +ATOM 410 O ASP A 52 13.091 -15.824 19.692 1.00 23.97 O +ATOM 411 CB ASP A 52 12.135 -17.463 17.053 1.00 25.23 C +ATOM 412 CG ASP A 52 12.374 -17.564 15.568 1.00 25.94 C +ATOM 413 OD1 ASP A 52 11.746 -18.415 14.921 1.00 27.35 O +ATOM 414 OD2 ASP A 52 13.190 -16.845 14.967 1.00 26.21 O +ATOM 415 N CYS A 53 12.996 -18.023 20.103 1.00 23.95 N +ATOM 416 CA CYS A 53 12.741 -17.871 21.526 1.00 24.28 C +ATOM 417 C CYS A 53 13.307 -19.057 22.310 1.00 24.25 C +ATOM 418 O CYS A 53 13.133 -20.224 21.917 1.00 24.04 O +ATOM 419 CB CYS A 53 11.235 -17.721 21.786 1.00 23.45 C +ATOM 420 SG CYS A 53 10.769 -17.280 23.485 1.00 24.05 S +ATOM 421 N LEU A 54 13.994 -18.738 23.401 1.00 23.77 N +ATOM 422 CA LEU A 54 14.484 -19.728 24.346 1.00 24.11 C +ATOM 423 C LEU A 54 13.489 -19.869 25.475 1.00 23.69 C +ATOM 424 O LEU A 54 12.929 -18.871 25.929 1.00 25.00 O +ATOM 425 CB LEU A 54 15.814 -19.268 24.957 1.00 24.02 C +ATOM 426 CG LEU A 54 17.112 -19.516 24.203 1.00 26.13 C +ATOM 427 CD1 LEU A 54 18.290 -18.781 24.894 1.00 25.47 C +ATOM 428 CD2 LEU A 54 17.382 -21.026 24.115 1.00 27.02 C +ATOM 429 N ILE A 55 13.282 -21.098 25.939 1.00 23.01 N +ATOM 430 CA ILE A 55 12.557 -21.346 27.175 1.00 22.08 C +ATOM 431 C ILE A 55 13.511 -22.079 28.140 1.00 22.32 C +ATOM 432 O ILE A 55 13.985 -23.182 27.845 1.00 22.27 O +ATOM 433 CB ILE A 55 11.254 -22.169 26.919 1.00 22.08 C +ATOM 434 CG1 ILE A 55 10.269 -21.382 26.030 1.00 22.41 C +ATOM 435 CG2 ILE A 55 10.604 -22.562 28.245 1.00 22.03 C +ATOM 436 CD1 ILE A 55 9.071 -22.193 25.516 1.00 22.19 C +ATOM 437 N LEU A 56 13.793 -21.456 29.279 1.00 22.35 N +ATOM 438 CA LEU A 56 14.790 -21.976 30.213 1.00 23.40 C +ATOM 439 C LEU A 56 14.164 -22.191 31.575 1.00 23.55 C +ATOM 440 O LEU A 56 13.531 -21.287 32.127 1.00 24.11 O +ATOM 441 CB LEU A 56 15.977 -20.991 30.337 1.00 22.96 C +ATOM 442 CG LEU A 56 16.602 -20.416 29.057 1.00 23.69 C +ATOM 443 CD1 LEU A 56 17.508 -19.228 29.414 1.00 25.84 C +ATOM 444 CD2 LEU A 56 17.381 -21.479 28.281 1.00 20.53 C +ATOM 445 N VAL A 57 14.363 -23.377 32.135 1.00 24.39 N +ATOM 446 CA VAL A 57 13.868 -23.687 33.473 1.00 24.02 C +ATOM 447 C VAL A 57 14.903 -23.282 34.546 1.00 25.05 C +ATOM 448 O VAL A 57 16.009 -23.840 34.586 1.00 24.60 O +ATOM 449 CB VAL A 57 13.473 -25.189 33.576 1.00 23.95 C +ATOM 450 CG1 VAL A 57 12.907 -25.491 34.942 1.00 22.80 C +ATOM 451 CG2 VAL A 57 12.449 -25.561 32.485 1.00 24.49 C +ATOM 452 N ALA A 58 14.548 -22.312 35.399 1.00 25.91 N +ATOM 453 CA ALA A 58 15.485 -21.726 36.371 1.00 27.24 C +ATOM 454 C ALA A 58 16.062 -22.747 37.357 1.00 27.96 C +ATOM 455 O ALA A 58 17.179 -22.584 37.841 1.00 27.62 O +ATOM 456 CB ALA A 58 14.845 -20.578 37.127 1.00 27.33 C +ATOM 457 N ALA A 59 15.292 -23.795 37.627 1.00 28.73 N +ATOM 458 CA ALA A 59 15.689 -24.872 38.533 1.00 29.45 C +ATOM 459 C ALA A 59 16.725 -25.869 37.972 1.00 29.58 C +ATOM 460 O ALA A 59 17.246 -26.685 38.729 1.00 30.48 O +ATOM 461 CB ALA A 59 14.431 -25.626 39.033 1.00 29.72 C +ATOM 462 N ASN A 60 17.010 -25.825 36.669 1.00 29.33 N +ATOM 463 CA ASN A 60 17.964 -26.749 36.051 1.00 29.57 C +ATOM 464 C ASN A 60 19.342 -26.678 36.744 1.00 30.24 C +ATOM 465 O ASN A 60 19.722 -25.607 37.230 1.00 29.43 O +ATOM 466 CB ASN A 60 18.125 -26.455 34.548 1.00 29.46 C +ATOM 467 CG ASN A 60 16.906 -26.870 33.707 1.00 29.13 C +ATOM 468 OD1 ASN A 60 16.030 -27.622 34.160 1.00 30.05 O +ATOM 469 ND2 ASN A 60 16.843 -26.353 32.475 1.00 25.63 N +ATOM 470 N PRO A 61 20.063 -27.806 36.831 1.00 31.10 N +ATOM 471 CA PRO A 61 21.451 -27.811 37.333 1.00 31.66 C +ATOM 472 C PRO A 61 22.346 -26.774 36.649 1.00 31.87 C +ATOM 473 O PRO A 61 22.368 -26.679 35.415 1.00 32.27 O +ATOM 474 CB PRO A 61 21.947 -29.223 36.988 1.00 31.46 C +ATOM 475 CG PRO A 61 20.731 -30.057 36.976 1.00 31.90 C +ATOM 476 CD PRO A 61 19.593 -29.172 36.533 1.00 31.36 C +ATOM 477 N SER A 62 23.068 -26.003 37.457 1.00 32.06 N +ATOM 478 CA SER A 62 24.019 -25.004 36.966 1.00 32.47 C +ATOM 479 C SER A 62 23.400 -23.966 36.015 1.00 31.72 C +ATOM 480 O SER A 62 24.077 -23.461 35.119 1.00 31.23 O +ATOM 481 CB SER A 62 25.232 -25.684 36.322 1.00 32.89 C +ATOM 482 OG SER A 62 26.016 -26.309 37.322 1.00 35.69 O +ATOM 483 N PHE A 63 22.130 -23.638 36.260 1.00 30.88 N +ATOM 484 CA PHE A 63 21.389 -22.655 35.482 1.00 30.38 C +ATOM 485 C PHE A 63 22.142 -21.329 35.308 1.00 30.07 C +ATOM 486 O PHE A 63 22.325 -20.871 34.190 1.00 28.50 O +ATOM 487 CB PHE A 63 20.019 -22.402 36.118 1.00 30.42 C +ATOM 488 CG PHE A 63 19.222 -21.329 35.432 1.00 30.22 C +ATOM 489 CD1 PHE A 63 19.186 -20.037 35.944 1.00 30.82 C +ATOM 490 CD2 PHE A 63 18.526 -21.604 34.261 1.00 30.51 C +ATOM 491 CE1 PHE A 63 18.452 -19.030 35.300 1.00 31.66 C +ATOM 492 CE2 PHE A 63 17.790 -20.605 33.612 1.00 30.10 C +ATOM 493 CZ PHE A 63 17.752 -19.323 34.132 1.00 30.24 C +ATOM 494 N ARG A 64 22.545 -20.719 36.425 1.00 30.48 N +ATOM 495 CA ARG A 64 23.289 -19.456 36.421 1.00 31.59 C +ATOM 496 C ARG A 64 24.540 -19.524 35.537 1.00 30.92 C +ATOM 497 O ARG A 64 24.749 -18.672 34.669 1.00 30.89 O +ATOM 498 CB ARG A 64 23.686 -19.098 37.852 1.00 32.69 C +ATOM 499 CG ARG A 64 24.111 -17.650 38.066 1.00 37.00 C +ATOM 500 CD ARG A 64 24.732 -17.413 39.439 1.00 42.84 C +ATOM 501 NE ARG A 64 24.545 -16.040 39.907 1.00 48.48 N +ATOM 502 CZ ARG A 64 23.425 -15.553 40.447 1.00 51.05 C +ATOM 503 NH1 ARG A 64 22.351 -16.322 40.601 1.00 52.53 N +ATOM 504 NH2 ARG A 64 23.380 -14.280 40.836 1.00 52.25 N +ATOM 505 N ALA A 65 25.352 -20.556 35.759 1.00 30.74 N +ATOM 506 CA ALA A 65 26.606 -20.739 35.033 1.00 30.15 C +ATOM 507 C ALA A 65 26.344 -20.916 33.535 1.00 29.25 C +ATOM 508 O ALA A 65 27.082 -20.392 32.705 1.00 28.45 O +ATOM 509 CB ALA A 65 27.377 -21.930 35.603 1.00 30.37 C +ATOM 510 N VAL A 66 25.276 -21.639 33.192 1.00 28.03 N +ATOM 511 CA VAL A 66 24.893 -21.787 31.786 1.00 26.91 C +ATOM 512 C VAL A 66 24.432 -20.453 31.187 1.00 26.42 C +ATOM 513 O VAL A 66 24.821 -20.086 30.073 1.00 25.32 O +ATOM 514 CB VAL A 66 23.829 -22.902 31.594 1.00 27.32 C +ATOM 515 CG1 VAL A 66 23.284 -22.880 30.195 1.00 26.02 C +ATOM 516 CG2 VAL A 66 24.424 -24.295 31.920 1.00 27.54 C +ATOM 517 N VAL A 67 23.623 -19.706 31.935 1.00 26.10 N +ATOM 518 CA VAL A 67 23.151 -18.413 31.444 1.00 26.24 C +ATOM 519 C VAL A 67 24.323 -17.432 31.269 1.00 26.41 C +ATOM 520 O VAL A 67 24.376 -16.697 30.288 1.00 26.05 O +ATOM 521 CB VAL A 67 22.003 -17.859 32.315 1.00 26.24 C +ATOM 522 CG1 VAL A 67 21.691 -16.437 31.962 1.00 26.50 C +ATOM 523 CG2 VAL A 67 20.759 -18.721 32.091 1.00 26.83 C +ATOM 524 N GLN A 68 25.283 -17.488 32.188 1.00 26.65 N +ATOM 525 CA GLN A 68 26.497 -16.678 32.091 1.00 27.31 C +ATOM 526 C GLN A 68 27.256 -16.996 30.803 1.00 26.61 C +ATOM 527 O GLN A 68 27.716 -16.093 30.113 1.00 26.55 O +ATOM 528 CB GLN A 68 27.398 -16.928 33.298 1.00 27.39 C +ATOM 529 CG GLN A 68 26.815 -16.390 34.607 1.00 30.37 C +ATOM 530 CD GLN A 68 27.575 -16.858 35.828 1.00 32.34 C +ATOM 531 OE1 GLN A 68 28.338 -17.832 35.778 1.00 35.00 O +ATOM 532 NE2 GLN A 68 27.376 -16.159 36.934 1.00 35.79 N +ATOM 533 N GLN A 69 27.379 -18.285 30.485 1.00 26.20 N +ATOM 534 CA GLN A 69 28.116 -18.701 29.292 1.00 25.83 C +ATOM 535 C GLN A 69 27.379 -18.300 28.020 1.00 25.91 C +ATOM 536 O GLN A 69 27.991 -17.885 27.035 1.00 25.96 O +ATOM 537 CB GLN A 69 28.424 -20.203 29.334 1.00 26.03 C +ATOM 538 CG GLN A 69 29.257 -20.735 28.139 1.00 26.51 C +ATOM 539 CD GLN A 69 30.576 -19.985 27.944 1.00 27.87 C +ATOM 540 OE1 GLN A 69 31.168 -19.504 28.911 1.00 27.85 O +ATOM 541 NE2 GLN A 69 31.032 -19.888 26.694 1.00 26.99 N +ATOM 542 N LEU A 70 26.054 -18.400 28.054 1.00 26.26 N +ATOM 543 CA LEU A 70 25.213 -17.909 26.963 1.00 27.04 C +ATOM 544 C LEU A 70 25.535 -16.453 26.632 1.00 27.03 C +ATOM 545 O LEU A 70 25.774 -16.119 25.473 1.00 27.19 O +ATOM 546 CB LEU A 70 23.730 -18.086 27.331 1.00 27.12 C +ATOM 547 CG LEU A 70 22.727 -18.613 26.310 1.00 28.55 C +ATOM 548 CD1 LEU A 70 23.222 -19.813 25.497 1.00 24.89 C +ATOM 549 CD2 LEU A 70 21.406 -18.926 27.023 1.00 27.82 C +ATOM 550 N CYS A 71 25.576 -15.615 27.661 1.00 27.65 N +ATOM 551 CA CYS A 71 25.945 -14.199 27.559 1.00 29.23 C +ATOM 552 C CYS A 71 27.400 -14.013 27.084 1.00 29.29 C +ATOM 553 O CYS A 71 27.676 -13.223 26.181 1.00 29.33 O +ATOM 554 CB CYS A 71 25.757 -13.517 28.923 1.00 28.92 C +ATOM 555 SG CYS A 71 24.021 -13.398 29.483 1.00 35.66 S +ATOM 556 N PHE A 72 28.319 -14.762 27.694 1.00 29.50 N +ATOM 557 CA PHE A 72 29.727 -14.726 27.306 1.00 29.74 C +ATOM 558 C PHE A 72 29.923 -15.090 25.834 1.00 30.20 C +ATOM 559 O PHE A 72 30.691 -14.432 25.157 1.00 31.07 O +ATOM 560 CB PHE A 72 30.549 -15.649 28.211 1.00 29.26 C +ATOM 561 CG PHE A 72 32.038 -15.387 28.180 1.00 27.85 C +ATOM 562 CD1 PHE A 72 32.882 -16.231 27.465 1.00 27.43 C +ATOM 563 CD2 PHE A 72 32.598 -14.330 28.899 1.00 28.67 C +ATOM 564 CE1 PHE A 72 34.261 -16.017 27.445 1.00 28.97 C +ATOM 565 CE2 PHE A 72 33.977 -14.111 28.888 1.00 28.82 C +ATOM 566 CZ PHE A 72 34.808 -14.957 28.156 1.00 28.17 C +ATOM 567 N GLU A 73 29.218 -16.113 25.341 1.00 30.94 N +ATOM 568 CA GLU A 73 29.291 -16.513 23.920 1.00 30.94 C +ATOM 569 C GLU A 73 28.411 -15.662 22.977 1.00 31.20 C +ATOM 570 O GLU A 73 28.296 -15.978 21.785 1.00 31.87 O +ATOM 571 CB GLU A 73 29.100 -18.049 23.716 1.00 31.54 C +ATOM 572 CG GLU A 73 27.670 -18.620 23.807 1.00 32.56 C +ATOM 573 CD GLU A 73 27.582 -20.150 23.715 1.00 35.40 C +ATOM 574 OE1 GLU A 73 28.554 -20.856 24.072 1.00 36.54 O +ATOM 575 OE2 GLU A 73 26.519 -20.675 23.284 1.00 35.63 O +ATOM 576 N GLY A 74 27.819 -14.588 23.505 1.00 30.41 N +ATOM 577 CA GLY A 74 27.055 -13.639 22.703 1.00 30.06 C +ATOM 578 C GLY A 74 25.711 -14.121 22.157 1.00 29.15 C +ATOM 579 O GLY A 74 25.275 -13.688 21.085 1.00 29.96 O +ATOM 580 N VAL A 75 25.058 -15.031 22.866 1.00 27.50 N +ATOM 581 CA VAL A 75 23.757 -15.522 22.420 1.00 26.25 C +ATOM 582 C VAL A 75 22.700 -14.800 23.241 1.00 25.42 C +ATOM 583 O VAL A 75 22.519 -15.095 24.424 1.00 24.76 O +ATOM 584 CB VAL A 75 23.641 -17.061 22.557 1.00 26.75 C +ATOM 585 CG1 VAL A 75 22.256 -17.563 22.122 1.00 26.06 C +ATOM 586 CG2 VAL A 75 24.744 -17.736 21.741 1.00 26.58 C +ATOM 587 N VAL A 76 22.049 -13.831 22.604 1.00 24.03 N +ATOM 588 CA VAL A 76 21.030 -12.990 23.229 1.00 23.92 C +ATOM 589 C VAL A 76 19.788 -13.026 22.336 1.00 23.11 C +ATOM 590 O VAL A 76 19.776 -12.461 21.241 1.00 23.23 O +ATOM 591 CB VAL A 76 21.521 -11.523 23.402 1.00 23.93 C +ATOM 592 CG1 VAL A 76 20.463 -10.677 24.074 1.00 23.12 C +ATOM 593 CG2 VAL A 76 22.830 -11.471 24.191 1.00 24.68 C +ATOM 594 N VAL A 77 18.765 -13.741 22.790 1.00 22.29 N +ATOM 595 CA VAL A 77 17.560 -13.960 22.000 1.00 21.74 C +ATOM 596 C VAL A 77 16.358 -13.870 22.926 1.00 20.89 C +ATOM 597 O VAL A 77 16.521 -13.936 24.153 1.00 20.75 O +ATOM 598 CB VAL A 77 17.581 -15.330 21.270 1.00 21.92 C +ATOM 599 CG1 VAL A 77 18.792 -15.443 20.311 1.00 23.42 C +ATOM 600 CG2 VAL A 77 17.593 -16.473 22.276 1.00 21.66 C +ATOM 601 N PRO A 78 15.164 -13.675 22.362 1.00 20.09 N +ATOM 602 CA PRO A 78 13.944 -13.590 23.172 1.00 19.45 C +ATOM 603 C PRO A 78 13.850 -14.819 24.068 1.00 19.34 C +ATOM 604 O PRO A 78 14.297 -15.909 23.668 1.00 18.63 O +ATOM 605 CB PRO A 78 12.821 -13.627 22.128 1.00 19.69 C +ATOM 606 CG PRO A 78 13.432 -12.995 20.914 1.00 19.77 C +ATOM 607 CD PRO A 78 14.883 -13.525 20.911 1.00 19.95 C +ATOM 608 N ALA A 79 13.328 -14.640 25.274 1.00 19.04 N +ATOM 609 CA ALA A 79 13.401 -15.706 26.269 1.00 19.59 C +ATOM 610 C ALA A 79 12.280 -15.710 27.282 1.00 19.72 C +ATOM 611 O ALA A 79 11.796 -14.656 27.688 1.00 19.47 O +ATOM 612 CB ALA A 79 14.768 -15.685 26.997 1.00 19.67 C +ATOM 613 N ILE A 80 11.888 -16.921 27.685 1.00 19.81 N +ATOM 614 CA ILE A 80 11.040 -17.123 28.849 1.00 19.83 C +ATOM 615 C ILE A 80 11.775 -17.968 29.877 1.00 20.46 C +ATOM 616 O ILE A 80 12.270 -19.062 29.564 1.00 20.01 O +ATOM 617 CB ILE A 80 9.712 -17.820 28.465 1.00 19.74 C +ATOM 618 CG1 ILE A 80 8.940 -16.992 27.417 1.00 19.53 C +ATOM 619 CG2 ILE A 80 8.852 -18.089 29.723 1.00 17.90 C +ATOM 620 CD1 ILE A 80 7.739 -17.712 26.846 1.00 21.87 C +ATOM 621 N VAL A 81 11.811 -17.481 31.109 1.00 21.83 N +ATOM 622 CA VAL A 81 12.415 -18.239 32.210 1.00 22.79 C +ATOM 623 C VAL A 81 11.297 -18.829 33.046 1.00 24.02 C +ATOM 624 O VAL A 81 10.418 -18.106 33.522 1.00 24.00 O +ATOM 625 CB VAL A 81 13.335 -17.355 33.096 1.00 23.44 C +ATOM 626 CG1 VAL A 81 13.831 -18.126 34.312 1.00 23.52 C +ATOM 627 CG2 VAL A 81 14.510 -16.820 32.282 1.00 23.45 C +ATOM 628 N VAL A 82 11.337 -20.148 33.212 1.00 25.23 N +ATOM 629 CA VAL A 82 10.250 -20.897 33.829 1.00 27.23 C +ATOM 630 C VAL A 82 10.613 -21.218 35.263 1.00 29.69 C +ATOM 631 O VAL A 82 11.676 -21.784 35.539 1.00 28.82 O +ATOM 632 CB VAL A 82 9.956 -22.209 33.063 1.00 26.22 C +ATOM 633 CG1 VAL A 82 9.005 -23.111 33.847 1.00 26.47 C +ATOM 634 CG2 VAL A 82 9.400 -21.909 31.684 1.00 26.14 C +ATOM 635 N GLY A 83 9.714 -20.844 36.164 1.00 33.00 N +ATOM 636 CA GLY A 83 9.808 -21.202 37.561 1.00 37.78 C +ATOM 637 C GLY A 83 10.912 -20.442 38.255 1.00 41.14 C +ATOM 638 O GLY A 83 11.348 -19.390 37.780 1.00 41.50 O +ATOM 639 N ASP A 84 11.363 -20.983 39.384 1.00 44.73 N +ATOM 640 CA ASP A 84 12.372 -20.327 40.208 1.00 48.30 C +ATOM 641 C ASP A 84 13.249 -21.344 40.929 1.00 50.12 C +ATOM 642 O ASP A 84 12.783 -22.396 41.360 1.00 51.42 O +ATOM 643 CB ASP A 84 11.698 -19.382 41.220 1.00 48.47 C +ATOM 644 CG ASP A 84 12.693 -18.540 42.010 1.00 50.24 C +ATOM 645 OD1 ASP A 84 13.484 -17.785 41.397 1.00 51.73 O +ATOM 646 OD2 ASP A 84 12.743 -18.562 43.265 1.00 53.36 O +ATOM 647 N ARG A 85 14.533 -21.018 41.005 1.00 52.38 N +ATOM 648 CA ARG A 85 15.481 -21.578 41.962 1.00 54.16 C +ATOM 649 C ARG A 85 16.540 -20.499 41.933 1.00 55.27 C +ATOM 650 O ARG A 85 16.929 -19.940 42.962 1.00 55.66 O +ATOM 651 CB ARG A 85 16.063 -22.912 41.485 1.00 54.24 C +ATOM 652 CG ARG A 85 16.107 -24.040 42.532 1.00 54.91 C +ATOM 653 CD ARG A 85 15.738 -23.626 43.955 1.00 56.94 C +ATOM 654 NE ARG A 85 16.795 -23.933 44.921 1.00 57.66 N +ATOM 655 CZ ARG A 85 16.909 -23.362 46.122 1.00 58.47 C +ATOM 656 NH1 ARG A 85 17.909 -23.710 46.927 1.00 58.48 N +ATOM 657 NH2 ARG A 85 16.032 -22.444 46.523 1.00 57.99 N +ATOM 658 N ASP A 86 16.970 -20.200 40.712 1.00 56.58 N +ATOM 659 CA ASP A 86 17.848 -19.086 40.438 1.00 57.52 C +ATOM 660 C ASP A 86 17.117 -18.082 39.558 1.00 57.88 C +ATOM 661 O ASP A 86 15.945 -17.760 39.795 1.00 58.24 O +ATOM 662 CB ASP A 86 19.110 -19.582 39.749 1.00 57.86 C +ATOM 663 CG ASP A 86 20.332 -18.816 40.174 1.00 59.36 C +ATOM 664 OD1 ASP A 86 20.989 -18.226 39.285 1.00 61.62 O +ATOM 665 OD2 ASP A 86 20.710 -18.734 41.367 1.00 61.09 O +ATOM 666 N PRO A 93 8.329 -19.080 40.660 1.00 66.52 N +ATOM 667 CA PRO A 93 8.333 -17.939 39.738 1.00 66.48 C +ATOM 668 C PRO A 93 9.346 -16.859 40.152 1.00 66.29 C +ATOM 669 O PRO A 93 9.346 -16.414 41.303 1.00 66.32 O +ATOM 670 CB PRO A 93 6.893 -17.437 39.820 1.00 66.57 C +ATOM 671 CG PRO A 93 6.086 -18.698 40.076 1.00 66.58 C +ATOM 672 CD PRO A 93 7.001 -19.713 40.737 1.00 66.57 C +ATOM 673 N ALA A 94 10.189 -16.448 39.201 1.00 65.90 N +ATOM 674 CA ALA A 94 11.424 -15.706 39.489 1.00 65.30 C +ATOM 675 C ALA A 94 11.226 -14.261 39.951 1.00 64.83 C +ATOM 676 O ALA A 94 10.397 -13.523 39.407 1.00 65.00 O +ATOM 677 CB ALA A 94 12.384 -15.770 38.291 1.00 65.37 C +ATOM 678 N LYS A 95 12.011 -13.875 40.956 1.00 63.86 N +ATOM 679 CA LYS A 95 11.895 -12.564 41.591 1.00 62.82 C +ATOM 680 C LYS A 95 12.724 -11.485 40.894 1.00 61.54 C +ATOM 681 O LYS A 95 12.444 -10.291 41.043 1.00 61.90 O +ATOM 682 CB LYS A 95 12.308 -12.656 43.066 1.00 63.18 C +ATOM 683 CG LYS A 95 11.157 -12.917 44.038 1.00 64.29 C +ATOM 684 CD LYS A 95 11.108 -11.845 45.127 1.00 66.19 C +ATOM 685 CE LYS A 95 10.064 -12.166 46.191 1.00 67.45 C +ATOM 686 NZ LYS A 95 8.820 -11.352 46.020 1.00 68.27 N +ATOM 687 N GLU A 96 13.747 -11.905 40.150 1.00 59.49 N +ATOM 688 CA GLU A 96 14.684 -10.976 39.518 1.00 57.57 C +ATOM 689 C GLU A 96 15.073 -11.427 38.115 1.00 55.45 C +ATOM 690 O GLU A 96 14.810 -12.570 37.733 1.00 55.25 O +ATOM 691 CB GLU A 96 15.942 -10.834 40.374 1.00 57.99 C +ATOM 692 CG GLU A 96 16.331 -9.392 40.649 1.00 59.95 C +ATOM 693 CD GLU A 96 16.392 -9.079 42.130 1.00 62.68 C +ATOM 694 OE1 GLU A 96 15.371 -9.288 42.830 1.00 63.42 O +ATOM 695 OE2 GLU A 96 17.462 -8.621 42.594 1.00 64.20 O +ATOM 696 N GLN A 97 15.712 -10.539 37.356 1.00 52.63 N +ATOM 697 CA GLN A 97 16.107 -10.880 35.993 1.00 50.13 C +ATOM 698 C GLN A 97 17.456 -11.607 35.932 1.00 48.21 C +ATOM 699 O GLN A 97 18.437 -11.195 36.575 1.00 48.02 O +ATOM 700 CB GLN A 97 16.008 -9.675 35.057 1.00 50.40 C +ATOM 701 CG GLN A 97 14.531 -9.281 34.798 1.00 50.92 C +ATOM 702 CD GLN A 97 14.344 -8.221 33.726 1.00 51.52 C +ATOM 703 OE1 GLN A 97 15.125 -7.274 33.633 1.00 52.02 O +ATOM 704 NE2 GLN A 97 13.292 -8.371 32.920 1.00 51.67 N +ATOM 705 N LEU A 98 17.479 -12.699 35.170 1.00 45.09 N +ATOM 706 CA LEU A 98 18.585 -13.656 35.190 1.00 42.54 C +ATOM 707 C LEU A 98 19.394 -13.731 33.885 1.00 40.07 C +ATOM 708 O LEU A 98 20.539 -14.177 33.901 1.00 39.85 O +ATOM 709 CB LEU A 98 18.054 -15.055 35.560 1.00 43.09 C +ATOM 710 CG LEU A 98 17.123 -15.150 36.777 1.00 44.18 C +ATOM 711 CD1 LEU A 98 16.259 -16.409 36.740 1.00 45.53 C +ATOM 712 CD2 LEU A 98 17.901 -15.042 38.104 1.00 45.64 C +ATOM 713 N TYR A 99 18.800 -13.300 32.771 1.00 36.56 N +ATOM 714 CA TYR A 99 19.416 -13.425 31.443 1.00 33.41 C +ATOM 715 C TYR A 99 19.492 -12.068 30.728 1.00 32.23 C +ATOM 716 O TYR A 99 20.588 -11.584 30.444 1.00 32.07 O +ATOM 717 CB TYR A 99 18.660 -14.488 30.620 1.00 32.87 C +ATOM 718 CG TYR A 99 19.067 -14.739 29.164 1.00 29.00 C +ATOM 719 CD1 TYR A 99 18.121 -15.226 28.251 1.00 26.21 C +ATOM 720 CD2 TYR A 99 20.375 -14.538 28.705 1.00 26.49 C +ATOM 721 CE1 TYR A 99 18.446 -15.473 26.933 1.00 24.63 C +ATOM 722 CE2 TYR A 99 20.725 -14.809 27.359 1.00 24.90 C +ATOM 723 CZ TYR A 99 19.750 -15.279 26.482 1.00 25.85 C +ATOM 724 OH TYR A 99 20.048 -15.552 25.147 1.00 24.22 O +ATOM 725 N HIS A 100 18.340 -11.464 30.428 1.00 30.54 N +ATOM 726 CA HIS A 100 18.311 -10.101 29.883 1.00 28.66 C +ATOM 727 C HIS A 100 17.043 -9.306 30.260 1.00 28.15 C +ATOM 728 O HIS A 100 16.119 -9.839 30.875 1.00 27.22 O +ATOM 729 CB HIS A 100 18.594 -10.076 28.366 1.00 28.83 C +ATOM 730 CG HIS A 100 17.603 -10.836 27.532 1.00 28.48 C +ATOM 731 ND1 HIS A 100 16.286 -10.448 27.393 1.00 26.99 N +ATOM 732 CD2 HIS A 100 17.748 -11.951 26.775 1.00 27.51 C +ATOM 733 CE1 HIS A 100 15.663 -11.291 26.590 1.00 28.13 C +ATOM 734 NE2 HIS A 100 16.528 -12.211 26.199 1.00 27.52 N +ATOM 735 N SER A 101 17.028 -8.029 29.895 1.00 27.10 N +ATOM 736 CA SER A 101 15.992 -7.086 30.322 1.00 26.92 C +ATOM 737 C SER A 101 14.621 -7.315 29.677 1.00 26.24 C +ATOM 738 O SER A 101 13.615 -6.747 30.139 1.00 26.23 O +ATOM 739 CB SER A 101 16.457 -5.652 30.049 1.00 27.12 C +ATOM 740 OG SER A 101 16.740 -5.497 28.663 1.00 27.38 O +ATOM 741 N ALA A 102 14.588 -8.136 28.624 1.00 25.48 N +ATOM 742 CA ALA A 102 13.345 -8.471 27.902 1.00 24.38 C +ATOM 743 C ALA A 102 12.811 -9.872 28.213 1.00 24.22 C +ATOM 744 O ALA A 102 11.808 -10.310 27.624 1.00 23.85 O +ATOM 745 CB ALA A 102 13.550 -8.332 26.397 1.00 23.76 C +ATOM 746 N GLU A 103 13.483 -10.589 29.100 1.00 23.80 N +ATOM 747 CA GLU A 103 13.048 -11.943 29.439 1.00 24.11 C +ATOM 748 C GLU A 103 11.668 -11.923 30.096 1.00 23.63 C +ATOM 749 O GLU A 103 11.329 -10.990 30.809 1.00 23.30 O +ATOM 750 CB GLU A 103 14.062 -12.617 30.361 1.00 24.90 C +ATOM 751 CG GLU A 103 14.004 -12.164 31.823 1.00 25.19 C +ATOM 752 CD GLU A 103 15.117 -12.778 32.662 1.00 26.42 C +ATOM 753 OE1 GLU A 103 16.204 -13.013 32.113 1.00 23.95 O +ATOM 754 OE2 GLU A 103 14.899 -13.038 33.861 1.00 25.89 O +ATOM 755 N LEU A 104 10.874 -12.956 29.849 1.00 23.74 N +ATOM 756 CA LEU A 104 9.610 -13.113 30.546 1.00 24.30 C +ATOM 757 C LEU A 104 9.738 -14.159 31.653 1.00 24.57 C +ATOM 758 O LEU A 104 10.539 -15.088 31.543 1.00 25.01 O +ATOM 759 CB LEU A 104 8.499 -13.501 29.559 1.00 24.28 C +ATOM 760 CG LEU A 104 7.610 -12.336 29.134 1.00 27.15 C +ATOM 761 CD1 LEU A 104 8.393 -11.299 28.335 1.00 27.03 C +ATOM 762 CD2 LEU A 104 6.370 -12.823 28.364 1.00 26.32 C +ATOM 763 N HIS A 105 8.952 -14.014 32.710 1.00 24.45 N +ATOM 764 CA HIS A 105 8.905 -15.020 33.769 1.00 25.87 C +ATOM 765 C HIS A 105 7.549 -15.736 33.780 1.00 25.75 C +ATOM 766 O HIS A 105 6.505 -15.103 33.698 1.00 25.85 O +ATOM 767 CB HIS A 105 9.211 -14.377 35.133 1.00 26.18 C +ATOM 768 CG HIS A 105 10.608 -13.845 35.238 1.00 28.21 C +ATOM 769 ND1 HIS A 105 11.017 -13.018 36.262 1.00 32.20 N +ATOM 770 CD2 HIS A 105 11.696 -14.035 34.451 1.00 29.09 C +ATOM 771 CE1 HIS A 105 12.293 -12.713 36.097 1.00 31.86 C +ATOM 772 NE2 HIS A 105 12.731 -13.326 35.011 1.00 32.10 N +ATOM 773 N LEU A 106 7.578 -17.056 33.846 1.00 25.88 N +ATOM 774 CA LEU A 106 6.350 -17.856 33.807 1.00 26.35 C +ATOM 775 C LEU A 106 6.469 -18.949 34.853 1.00 26.18 C +ATOM 776 O LEU A 106 7.513 -19.589 34.940 1.00 26.26 O +ATOM 777 CB LEU A 106 6.198 -18.493 32.418 1.00 26.02 C +ATOM 778 CG LEU A 106 4.968 -18.307 31.528 1.00 28.25 C +ATOM 779 CD1 LEU A 106 4.772 -19.559 30.676 1.00 25.92 C +ATOM 780 CD2 LEU A 106 3.686 -17.940 32.276 1.00 26.89 C +ATOM 781 N GLY A 107 5.421 -19.156 35.652 1.00 26.17 N +ATOM 782 CA GLY A 107 5.393 -20.252 36.610 1.00 25.81 C +ATOM 783 C GLY A 107 5.287 -21.609 35.945 1.00 26.32 C +ATOM 784 O GLY A 107 4.746 -21.729 34.842 1.00 26.17 O +ATOM 785 N ILE A 108 5.798 -22.637 36.617 1.00 26.61 N +ATOM 786 CA ILE A 108 5.715 -24.022 36.129 1.00 28.00 C +ATOM 787 C ILE A 108 4.285 -24.505 35.927 1.00 27.64 C +ATOM 788 O ILE A 108 4.075 -25.421 35.161 1.00 28.28 O +ATOM 789 CB ILE A 108 6.440 -25.018 37.090 1.00 28.44 C +ATOM 790 CG1 ILE A 108 6.165 -24.641 38.552 1.00 29.51 C +ATOM 791 CG2 ILE A 108 7.936 -25.064 36.788 1.00 30.31 C +ATOM 792 CD1 ILE A 108 6.015 -25.814 39.467 1.00 32.35 C +ATOM 793 N HIS A 109 3.315 -23.890 36.609 1.00 27.90 N +ATOM 794 CA HIS A 109 1.896 -24.265 36.459 1.00 28.49 C +ATOM 795 C HIS A 109 1.137 -23.388 35.460 1.00 27.92 C +ATOM 796 O HIS A 109 -0.073 -23.524 35.302 1.00 27.99 O +ATOM 797 CB HIS A 109 1.171 -24.277 37.820 1.00 29.64 C +ATOM 798 CG HIS A 109 1.794 -25.196 38.825 1.00 31.81 C +ATOM 799 ND1 HIS A 109 2.136 -26.499 38.528 1.00 35.95 N +ATOM 800 CD2 HIS A 109 2.163 -24.995 40.115 1.00 35.51 C +ATOM 801 CE1 HIS A 109 2.688 -27.062 39.591 1.00 36.73 C +ATOM 802 NE2 HIS A 109 2.712 -26.173 40.569 1.00 36.84 N +ATOM 803 N GLN A 110 1.860 -22.525 34.747 1.00 27.19 N +ATOM 804 CA GLN A 110 1.238 -21.550 33.857 1.00 26.15 C +ATOM 805 C GLN A 110 1.578 -21.811 32.408 1.00 25.57 C +ATOM 806 O GLN A 110 1.344 -20.959 31.532 1.00 25.00 O +ATOM 807 CB GLN A 110 1.680 -20.135 34.237 1.00 25.89 C +ATOM 808 CG GLN A 110 1.237 -19.708 35.616 1.00 26.02 C +ATOM 809 CD GLN A 110 1.611 -18.274 35.896 1.00 26.81 C +ATOM 810 OE1 GLN A 110 2.791 -17.914 35.838 1.00 26.16 O +ATOM 811 NE2 GLN A 110 0.608 -17.437 36.158 1.00 27.18 N +ATOM 812 N LEU A 111 2.124 -22.993 32.148 1.00 24.55 N +ATOM 813 CA LEU A 111 2.682 -23.291 30.839 1.00 24.08 C +ATOM 814 C LEU A 111 1.646 -23.420 29.705 1.00 23.85 C +ATOM 815 O LEU A 111 1.998 -23.305 28.545 1.00 23.30 O +ATOM 816 CB LEU A 111 3.612 -24.502 30.916 1.00 24.00 C +ATOM 817 CG LEU A 111 4.837 -24.293 31.814 1.00 23.35 C +ATOM 818 CD1 LEU A 111 5.634 -25.568 31.890 1.00 24.64 C +ATOM 819 CD2 LEU A 111 5.722 -23.121 31.338 1.00 24.89 C +ATOM 820 N GLU A 112 0.371 -23.613 30.043 1.00 24.09 N +ATOM 821 CA GLU A 112 -0.693 -23.629 29.018 1.00 24.39 C +ATOM 822 C GLU A 112 -0.805 -22.293 28.284 1.00 23.91 C +ATOM 823 O GLU A 112 -1.284 -22.220 27.160 1.00 24.83 O +ATOM 824 CB GLU A 112 -2.038 -23.996 29.641 1.00 25.33 C +ATOM 825 CG GLU A 112 -2.583 -22.940 30.594 1.00 26.95 C +ATOM 826 CD GLU A 112 -3.820 -23.421 31.301 1.00 32.94 C +ATOM 827 OE1 GLU A 112 -3.715 -23.833 32.486 1.00 36.15 O +ATOM 828 OE2 GLU A 112 -4.881 -23.413 30.655 1.00 33.81 O +ATOM 829 N GLN A 113 -0.333 -21.240 28.926 1.00 23.31 N +ATOM 830 CA GLN A 113 -0.339 -19.914 28.342 1.00 22.58 C +ATOM 831 C GLN A 113 0.716 -19.711 27.261 1.00 21.91 C +ATOM 832 O GLN A 113 0.739 -18.654 26.666 1.00 21.97 O +ATOM 833 CB GLN A 113 -0.093 -18.864 29.421 1.00 22.37 C +ATOM 834 CG GLN A 113 -0.997 -18.939 30.642 1.00 24.17 C +ATOM 835 CD GLN A 113 -0.583 -17.953 31.709 1.00 24.81 C +ATOM 836 OE1 GLN A 113 0.283 -17.099 31.475 1.00 28.32 O +ATOM 837 NE2 GLN A 113 -1.184 -18.062 32.887 1.00 26.15 N +ATOM 838 N LEU A 114 1.573 -20.710 27.007 1.00 21.23 N +ATOM 839 CA LEU A 114 2.811 -20.507 26.224 1.00 20.52 C +ATOM 840 C LEU A 114 2.685 -19.800 24.874 1.00 19.44 C +ATOM 841 O LEU A 114 3.502 -18.941 24.585 1.00 20.31 O +ATOM 842 CB LEU A 114 3.643 -21.811 26.089 1.00 20.23 C +ATOM 843 CG LEU A 114 4.620 -22.088 27.228 1.00 20.93 C +ATOM 844 CD1 LEU A 114 5.216 -23.517 27.098 1.00 18.98 C +ATOM 845 CD2 LEU A 114 5.740 -21.033 27.351 1.00 20.47 C +ATOM 846 N PRO A 115 1.684 -20.132 24.044 1.00 19.70 N +ATOM 847 CA PRO A 115 1.524 -19.429 22.758 1.00 19.47 C +ATOM 848 C PRO A 115 1.393 -17.915 22.941 1.00 19.63 C +ATOM 849 O PRO A 115 2.014 -17.168 22.198 1.00 19.43 O +ATOM 850 CB PRO A 115 0.225 -20.016 22.197 1.00 19.81 C +ATOM 851 CG PRO A 115 0.164 -21.390 22.792 1.00 20.08 C +ATOM 852 CD PRO A 115 0.661 -21.179 24.211 1.00 19.31 C +ATOM 853 N TYR A 116 0.614 -17.471 23.928 1.00 19.09 N +ATOM 854 CA TYR A 116 0.489 -16.033 24.173 1.00 19.07 C +ATOM 855 C TYR A 116 1.760 -15.441 24.782 1.00 18.91 C +ATOM 856 O TYR A 116 2.114 -14.315 24.489 1.00 18.56 O +ATOM 857 CB TYR A 116 -0.732 -15.720 25.044 1.00 18.83 C +ATOM 858 CG TYR A 116 -2.054 -16.154 24.403 1.00 20.71 C +ATOM 859 CD1 TYR A 116 -2.747 -17.262 24.876 1.00 20.25 C +ATOM 860 CD2 TYR A 116 -2.584 -15.460 23.303 1.00 21.79 C +ATOM 861 CE1 TYR A 116 -3.966 -17.670 24.276 1.00 22.68 C +ATOM 862 CE2 TYR A 116 -3.798 -15.844 22.698 1.00 20.60 C +ATOM 863 CZ TYR A 116 -4.477 -16.951 23.201 1.00 23.11 C +ATOM 864 OH TYR A 116 -5.656 -17.353 22.628 1.00 22.80 O +ATOM 865 N GLN A 117 2.428 -16.207 25.646 1.00 19.04 N +ATOM 866 CA GLN A 117 3.597 -15.693 26.341 1.00 18.99 C +ATOM 867 C GLN A 117 4.806 -15.686 25.419 1.00 19.09 C +ATOM 868 O GLN A 117 5.669 -14.829 25.539 1.00 19.78 O +ATOM 869 CB GLN A 117 3.864 -16.470 27.640 1.00 18.28 C +ATOM 870 CG GLN A 117 2.706 -16.432 28.670 1.00 19.57 C +ATOM 871 CD GLN A 117 2.256 -15.010 29.070 1.00 21.73 C +ATOM 872 OE1 GLN A 117 2.961 -14.019 28.828 1.00 21.74 O +ATOM 873 NE2 GLN A 117 1.071 -14.920 29.669 1.00 20.88 N +ATOM 874 N VAL A 118 4.857 -16.638 24.489 1.00 19.82 N +ATOM 875 CA VAL A 118 5.887 -16.611 23.436 1.00 19.56 C +ATOM 876 C VAL A 118 5.693 -15.352 22.574 1.00 20.01 C +ATOM 877 O VAL A 118 6.653 -14.655 22.299 1.00 20.16 O +ATOM 878 CB VAL A 118 5.886 -17.920 22.594 1.00 19.07 C +ATOM 879 CG1 VAL A 118 6.671 -17.757 21.296 1.00 17.65 C +ATOM 880 CG2 VAL A 118 6.443 -19.096 23.422 1.00 18.75 C +ATOM 881 N ASP A 119 4.459 -15.060 22.142 1.00 20.46 N +ATOM 882 CA ASP A 119 4.185 -13.771 21.477 1.00 20.61 C +ATOM 883 C ASP A 119 4.735 -12.603 22.289 1.00 20.02 C +ATOM 884 O ASP A 119 5.413 -11.720 21.751 1.00 20.71 O +ATOM 885 CB ASP A 119 2.678 -13.534 21.283 1.00 21.64 C +ATOM 886 CG ASP A 119 2.081 -14.357 20.160 1.00 22.43 C +ATOM 887 OD1 ASP A 119 2.753 -14.626 19.140 1.00 25.99 O +ATOM 888 OD2 ASP A 119 0.923 -14.776 20.226 1.00 26.93 O +ATOM 889 N ALA A 120 4.444 -12.605 23.590 1.00 18.92 N +ATOM 890 CA ALA A 120 4.846 -11.509 24.470 1.00 18.41 C +ATOM 891 C ALA A 120 6.362 -11.377 24.572 1.00 17.86 C +ATOM 892 O ALA A 120 6.896 -10.259 24.557 1.00 16.66 O +ATOM 893 CB ALA A 120 4.228 -11.680 25.867 1.00 18.08 C +ATOM 894 N ALA A 121 7.046 -12.518 24.659 1.00 17.58 N +ATOM 895 CA ALA A 121 8.512 -12.522 24.792 1.00 17.54 C +ATOM 896 C ALA A 121 9.165 -12.000 23.505 1.00 17.49 C +ATOM 897 O ALA A 121 10.156 -11.266 23.552 1.00 18.03 O +ATOM 898 CB ALA A 121 9.012 -13.936 25.112 1.00 16.77 C +ATOM 899 N LEU A 122 8.621 -12.390 22.355 1.00 18.01 N +ATOM 900 CA LEU A 122 9.125 -11.899 21.064 1.00 18.54 C +ATOM 901 C LEU A 122 8.894 -10.394 20.918 1.00 19.59 C +ATOM 902 O LEU A 122 9.812 -9.645 20.545 1.00 20.10 O +ATOM 903 CB LEU A 122 8.455 -12.641 19.889 1.00 18.01 C +ATOM 904 CG LEU A 122 8.712 -14.158 19.767 1.00 19.22 C +ATOM 905 CD1 LEU A 122 7.723 -14.859 18.813 1.00 19.03 C +ATOM 906 CD2 LEU A 122 10.155 -14.416 19.312 1.00 19.88 C +ATOM 907 N ALA A 123 7.668 -9.952 21.195 1.00 20.50 N +ATOM 908 CA ALA A 123 7.320 -8.540 21.050 1.00 21.31 C +ATOM 909 C ALA A 123 8.104 -7.662 21.999 1.00 21.63 C +ATOM 910 O ALA A 123 8.477 -6.558 21.634 1.00 22.24 O +ATOM 911 CB ALA A 123 5.810 -8.317 21.244 1.00 21.22 C +ATOM 912 N GLU A 124 8.347 -8.154 23.219 1.00 22.43 N +ATOM 913 CA GLU A 124 9.089 -7.405 24.226 1.00 23.05 C +ATOM 914 C GLU A 124 10.560 -7.263 23.833 1.00 23.10 C +ATOM 915 O GLU A 124 11.186 -6.205 24.054 1.00 22.68 O +ATOM 916 CB GLU A 124 8.960 -8.078 25.593 1.00 23.95 C +ATOM 917 CG GLU A 124 9.622 -7.338 26.755 1.00 27.11 C +ATOM 918 CD GLU A 124 8.941 -6.025 27.147 1.00 30.62 C +ATOM 919 OE1 GLU A 124 9.255 -5.512 28.247 1.00 32.34 O +ATOM 920 OE2 GLU A 124 8.107 -5.492 26.385 1.00 31.64 O +ATOM 921 N PHE A 125 11.114 -8.337 23.274 1.00 22.84 N +ATOM 922 CA PHE A 125 12.463 -8.289 22.751 1.00 23.40 C +ATOM 923 C PHE A 125 12.582 -7.263 21.624 1.00 24.06 C +ATOM 924 O PHE A 125 13.516 -6.457 21.612 1.00 23.99 O +ATOM 925 CB PHE A 125 12.915 -9.659 22.239 1.00 22.50 C +ATOM 926 CG PHE A 125 14.342 -9.676 21.813 1.00 22.86 C +ATOM 927 CD1 PHE A 125 14.681 -9.434 20.487 1.00 23.45 C +ATOM 928 CD2 PHE A 125 15.355 -9.899 22.738 1.00 23.39 C +ATOM 929 CE1 PHE A 125 16.008 -9.437 20.075 1.00 25.44 C +ATOM 930 CE2 PHE A 125 16.697 -9.892 22.331 1.00 24.99 C +ATOM 931 CZ PHE A 125 17.013 -9.667 20.992 1.00 24.11 C +ATOM 932 N LEU A 126 11.641 -7.317 20.675 1.00 25.26 N +ATOM 933 CA LEU A 126 11.599 -6.355 19.570 1.00 26.22 C +ATOM 934 C LEU A 126 11.444 -4.931 20.098 1.00 27.03 C +ATOM 935 O LEU A 126 12.066 -3.997 19.570 1.00 26.96 O +ATOM 936 CB LEU A 126 10.456 -6.681 18.607 1.00 26.45 C +ATOM 937 CG LEU A 126 10.621 -7.931 17.744 1.00 27.73 C +ATOM 938 CD1 LEU A 126 9.362 -8.165 16.933 1.00 30.29 C +ATOM 939 CD2 LEU A 126 11.818 -7.772 16.823 1.00 27.89 C +ATOM 940 N ARG A 127 10.632 -4.766 21.145 1.00 27.25 N +ATOM 941 CA ARG A 127 10.428 -3.434 21.731 1.00 28.23 C +ATOM 942 C ARG A 127 11.735 -2.850 22.294 1.00 28.75 C +ATOM 943 O ARG A 127 12.024 -1.661 22.108 1.00 28.86 O +ATOM 944 CB ARG A 127 9.358 -3.467 22.820 1.00 28.32 C +ATOM 945 CG ARG A 127 8.920 -2.085 23.318 1.00 30.01 C +ATOM 946 CD ARG A 127 7.738 -2.115 24.276 1.00 32.09 C +ATOM 947 NE ARG A 127 8.099 -2.656 25.584 1.00 32.54 N +ATOM 948 CZ ARG A 127 8.659 -1.962 26.565 1.00 34.06 C +ATOM 949 NH1 ARG A 127 8.939 -0.668 26.407 1.00 33.32 N +ATOM 950 NH2 ARG A 127 8.947 -2.566 27.710 1.00 34.68 N +ATOM 951 N LEU A 128 12.515 -3.694 22.962 1.00 28.55 N +ATOM 952 CA LEU A 128 13.655 -3.235 23.749 1.00 29.37 C +ATOM 953 C LEU A 128 15.032 -3.404 23.089 1.00 29.90 C +ATOM 954 O LEU A 128 16.024 -2.868 23.597 1.00 30.40 O +ATOM 955 CB LEU A 128 13.641 -3.892 25.138 1.00 28.74 C +ATOM 956 CG LEU A 128 12.512 -3.525 26.106 1.00 29.93 C +ATOM 957 CD1 LEU A 128 12.615 -4.368 27.390 1.00 30.37 C +ATOM 958 CD2 LEU A 128 12.496 -2.016 26.425 1.00 28.92 C +ATOM 959 N ALA A 129 15.103 -4.125 21.968 1.00 30.11 N +ATOM 960 CA ALA A 129 16.397 -4.413 21.331 1.00 30.88 C +ATOM 961 C ALA A 129 17.140 -3.113 20.979 1.00 31.74 C +ATOM 962 O ALA A 129 16.524 -2.169 20.490 1.00 31.71 O +ATOM 963 CB ALA A 129 16.219 -5.282 20.101 1.00 30.20 C +ATOM 964 N PRO A 130 18.443 -3.042 21.254 1.00 32.71 N +ATOM 965 CA PRO A 130 19.203 -4.132 21.881 1.00 33.04 C +ATOM 966 C PRO A 130 19.021 -4.151 23.399 1.00 33.95 C +ATOM 967 O PRO A 130 19.057 -3.113 24.064 1.00 33.89 O +ATOM 968 CB PRO A 130 20.652 -3.809 21.501 1.00 33.45 C +ATOM 969 CG PRO A 130 20.688 -2.299 21.406 1.00 33.00 C +ATOM 970 CD PRO A 130 19.288 -1.866 20.959 1.00 33.10 C +ATOM 971 N VAL A 131 18.797 -5.344 23.935 1.00 34.49 N +ATOM 972 CA VAL A 131 18.467 -5.501 25.346 1.00 35.55 C +ATOM 973 C VAL A 131 19.734 -5.504 26.202 1.00 37.31 C +ATOM 974 O VAL A 131 20.840 -5.702 25.689 1.00 36.75 O +ATOM 975 CB VAL A 131 17.655 -6.795 25.572 1.00 35.49 C +ATOM 976 CG1 VAL A 131 16.448 -6.839 24.624 1.00 34.25 C +ATOM 977 CG2 VAL A 131 18.540 -8.021 25.361 1.00 33.73 C +ATOM 978 N GLU A 132 19.562 -5.283 27.502 1.00 39.60 N +ATOM 979 CA GLU A 132 20.677 -5.282 28.438 1.00 42.31 C +ATOM 980 C GLU A 132 20.826 -6.663 29.045 1.00 43.58 C +ATOM 981 O GLU A 132 19.872 -7.213 29.585 1.00 43.23 O +ATOM 982 CB GLU A 132 20.451 -4.251 29.548 1.00 42.42 C +ATOM 983 CG GLU A 132 21.244 -2.962 29.378 1.00 45.95 C +ATOM 984 CD GLU A 132 20.560 -1.749 29.995 1.00 49.47 C +ATOM 985 OE1 GLU A 132 19.845 -1.909 31.012 1.00 50.77 O +ATOM 986 OE2 GLU A 132 20.747 -0.625 29.461 1.00 51.32 O +ATOM 987 N THR A 133 22.026 -7.224 28.952 1.00 45.60 N +ATOM 988 CA THR A 133 22.306 -8.511 29.566 1.00 48.41 C +ATOM 989 C THR A 133 22.531 -8.344 31.063 1.00 50.31 C +ATOM 990 O THR A 133 23.087 -7.343 31.510 1.00 50.38 O +ATOM 991 CB THR A 133 23.522 -9.167 28.915 1.00 48.15 C +ATOM 992 OG1 THR A 133 24.301 -8.162 28.257 1.00 49.23 O +ATOM 993 CG2 THR A 133 23.081 -10.063 27.769 1.00 48.47 C +ATOM 994 N MET A 134 22.083 -9.332 31.830 1.00 53.11 N +ATOM 995 CA MET A 134 22.208 -9.295 33.283 1.00 55.82 C +ATOM 996 C MET A 134 23.621 -9.686 33.723 1.00 57.44 C +ATOM 997 O MET A 134 24.179 -9.084 34.644 1.00 57.62 O +ATOM 998 CB MET A 134 21.152 -10.189 33.947 1.00 55.79 C +ATOM 999 CG MET A 134 19.682 -9.840 33.606 1.00 57.15 C +ATOM 1000 SD MET A 134 19.292 -8.088 33.234 1.00 60.73 S +ATOM 1001 CE MET A 134 19.374 -7.336 34.866 1.00 60.08 C +ATOM 1002 N ALA A 135 24.191 -10.688 33.054 1.00 59.27 N +ATOM 1003 CA ALA A 135 25.563 -11.109 33.315 1.00 61.37 C +ATOM 1004 C ALA A 135 26.568 -10.021 32.921 1.00 62.86 C +ATOM 1005 O ALA A 135 27.486 -9.715 33.687 1.00 63.04 O +ATOM 1006 CB ALA A 135 25.868 -12.418 32.586 1.00 61.12 C +ATOM 1007 N ASP A 136 26.364 -9.434 31.738 1.00 64.80 N +ATOM 1008 CA ASP A 136 27.307 -8.495 31.124 1.00 66.63 C +ATOM 1009 C ASP A 136 27.343 -7.147 31.835 1.00 67.90 C +ATOM 1010 O ASP A 136 28.393 -6.724 32.325 1.00 68.08 O +ATOM 1011 CB ASP A 136 26.949 -8.274 29.647 1.00 66.64 C +ATOM 1012 CG ASP A 136 27.875 -9.009 28.687 1.00 67.20 C +ATOM 1013 OD1 ASP A 136 27.850 -8.681 27.479 1.00 67.54 O +ATOM 1014 OD2 ASP A 136 28.647 -9.929 29.032 1.00 67.79 O +ATOM 1015 N HIS A 137 26.191 -6.477 31.871 1.00 69.39 N +ATOM 1016 CA HIS A 137 26.081 -5.132 32.429 1.00 70.80 C +ATOM 1017 C HIS A 137 25.615 -5.177 33.882 1.00 71.47 C +ATOM 1018 O HIS A 137 24.744 -5.977 34.243 1.00 71.67 O +ATOM 1019 CB HIS A 137 25.123 -4.266 31.593 1.00 71.03 C +ATOM 1020 CG HIS A 137 25.169 -4.548 30.119 1.00 72.12 C +ATOM 1021 ND1 HIS A 137 26.256 -4.233 29.330 1.00 73.03 N +ATOM 1022 CD2 HIS A 137 24.255 -5.109 29.292 1.00 72.83 C +ATOM 1023 CE1 HIS A 137 26.011 -4.592 28.081 1.00 73.51 C +ATOM 1024 NE2 HIS A 137 24.803 -5.127 28.031 1.00 73.22 N +ATOM 1025 N ILE A 138 26.213 -4.322 34.710 1.00 72.22 N +ATOM 1026 CA ILE A 138 25.842 -4.188 36.122 1.00 72.92 C +ATOM 1027 C ILE A 138 25.676 -2.713 36.508 1.00 73.35 C +ATOM 1028 O ILE A 138 25.109 -2.393 37.562 1.00 73.32 O +ATOM 1029 CB ILE A 138 26.887 -4.871 37.047 1.00 72.93 C +ATOM 1030 CG1 ILE A 138 28.249 -4.163 36.964 1.00 72.98 C +ATOM 1031 CG2 ILE A 138 27.003 -6.366 36.730 1.00 73.17 C +ATOM 1032 CD1 ILE A 138 28.522 -3.188 38.101 1.00 72.88 C +ATOM 1033 N MET A 139 26.190 -1.835 35.646 1.00 73.70 N +ATOM 1034 CA MET A 139 26.150 -0.391 35.852 1.00 74.17 C +ATOM 1035 C MET A 139 25.197 0.290 34.866 1.00 74.40 C +ATOM 1036 O MET A 139 24.713 -0.342 33.922 1.00 74.39 O +ATOM 1037 CB MET A 139 27.561 0.202 35.749 1.00 74.28 C +ATOM 1038 CG MET A 139 28.201 0.085 34.374 1.00 74.26 C +ATOM 1039 SD MET A 139 29.503 -1.146 34.344 1.00 74.55 S +ATOM 1040 CE MET A 139 29.722 -1.368 32.570 1.00 73.90 C +ATOM 1041 N LEU A 140 24.943 1.579 35.090 1.00 74.67 N +ATOM 1042 CA LEU A 140 23.913 2.316 34.355 1.00 74.99 C +ATOM 1043 C LEU A 140 24.332 2.642 32.916 1.00 75.30 C +ATOM 1044 O LEU A 140 25.324 3.340 32.685 1.00 75.37 O +ATOM 1045 CB LEU A 140 23.496 3.587 35.123 1.00 74.93 C +ATOM 1046 CG LEU A 140 22.429 3.553 36.242 1.00 74.63 C +ATOM 1047 CD1 LEU A 140 21.136 4.239 35.800 1.00 74.53 C +ATOM 1048 CD2 LEU A 140 22.127 2.160 36.793 1.00 74.22 C +ATOM 1049 N MET A 141 23.565 2.112 31.961 1.00 75.57 N +ATOM 1050 CA MET A 141 23.779 2.325 30.523 1.00 75.92 C +ATOM 1051 C MET A 141 25.237 2.127 30.081 1.00 75.71 C +ATOM 1052 O MET A 141 25.547 2.135 28.889 1.00 75.52 O +ATOM 1053 CB MET A 141 23.247 3.701 30.092 1.00 76.17 C +ATOM 1054 CG MET A 141 21.724 3.794 30.036 1.00 76.78 C +ATOM 1055 SD MET A 141 21.117 5.466 29.696 1.00 78.79 S +ATOM 1056 CE MET A 141 20.424 5.923 31.303 1.00 78.26 C +ATOM 1057 N ASP A 146 30.486 -8.804 23.349 1.00 73.43 N +ATOM 1058 CA ASP A 146 30.316 -8.234 22.019 1.00 73.25 C +ATOM 1059 C ASP A 146 29.762 -6.786 22.008 1.00 73.03 C +ATOM 1060 O ASP A 146 29.931 -6.096 21.009 1.00 73.16 O +ATOM 1061 CB ASP A 146 29.464 -9.170 21.136 1.00 73.35 C +ATOM 1062 CG ASP A 146 29.332 -10.591 21.715 1.00 73.59 C +ATOM 1063 OD1 ASP A 146 29.538 -11.567 20.952 1.00 73.51 O +ATOM 1064 OD2 ASP A 146 29.018 -10.830 22.907 1.00 72.58 O +ATOM 1065 N PRO A 147 29.166 -6.320 23.118 1.00 72.89 N +ATOM 1066 CA PRO A 147 28.271 -5.146 23.168 1.00 72.58 C +ATOM 1067 C PRO A 147 28.243 -4.075 22.077 1.00 72.16 C +ATOM 1068 O PRO A 147 27.162 -3.525 21.856 1.00 72.30 O +ATOM 1069 CB PRO A 147 28.611 -4.542 24.521 1.00 72.57 C +ATOM 1070 CG PRO A 147 28.691 -5.751 25.348 1.00 72.81 C +ATOM 1071 CD PRO A 147 29.321 -6.859 24.478 1.00 72.82 C +ATOM 1072 N GLU A 148 29.367 -3.755 21.448 1.00 71.58 N +ATOM 1073 CA GLU A 148 29.335 -2.868 20.290 1.00 70.93 C +ATOM 1074 C GLU A 148 28.834 -3.663 19.083 1.00 70.13 C +ATOM 1075 O GLU A 148 27.829 -3.294 18.466 1.00 70.14 O +ATOM 1076 CB GLU A 148 30.707 -2.235 20.042 1.00 71.15 C +ATOM 1077 CG GLU A 148 31.092 -1.214 21.106 1.00 71.92 C +ATOM 1078 CD GLU A 148 32.530 -0.727 20.993 1.00 73.16 C +ATOM 1079 OE1 GLU A 148 32.776 0.461 21.309 1.00 74.08 O +ATOM 1080 OE2 GLU A 148 33.417 -1.520 20.600 1.00 72.52 O +ATOM 1081 N LEU A 149 29.521 -4.767 18.782 1.00 69.13 N +ATOM 1082 CA LEU A 149 29.108 -5.713 17.741 1.00 68.12 C +ATOM 1083 C LEU A 149 27.960 -6.632 18.207 1.00 67.25 C +ATOM 1084 O LEU A 149 27.355 -7.341 17.397 1.00 67.01 O +ATOM 1085 CB LEU A 149 30.298 -6.562 17.253 1.00 68.22 C +ATOM 1086 CG LEU A 149 31.665 -5.964 16.873 1.00 68.56 C +ATOM 1087 CD1 LEU A 149 32.564 -7.047 16.276 1.00 68.22 C +ATOM 1088 CD2 LEU A 149 31.564 -4.771 15.917 1.00 68.78 C +ATOM 1089 N SER A 150 27.669 -6.622 19.509 1.00 66.07 N +ATOM 1090 CA SER A 150 26.488 -7.307 20.039 1.00 64.89 C +ATOM 1091 C SER A 150 25.212 -6.690 19.473 1.00 63.82 C +ATOM 1092 O SER A 150 24.114 -7.095 19.836 1.00 63.66 O +ATOM 1093 CB SER A 150 26.449 -7.264 21.569 1.00 65.05 C +ATOM 1094 OG SER A 150 25.892 -8.451 22.116 1.00 65.04 O +ATOM 1095 N SER A 151 25.375 -5.710 18.584 1.00 62.55 N +ATOM 1096 CA SER A 151 24.271 -5.175 17.787 1.00 61.01 C +ATOM 1097 C SER A 151 23.980 -6.072 16.578 1.00 59.53 C +ATOM 1098 O SER A 151 23.277 -5.686 15.632 1.00 59.43 O +ATOM 1099 CB SER A 151 24.544 -3.736 17.383 1.00 61.17 C +ATOM 1100 OG SER A 151 24.012 -2.876 18.370 1.00 62.87 O +ATOM 1101 N GLN A 152 24.554 -7.271 16.635 1.00 57.48 N +ATOM 1102 CA GLN A 152 24.004 -8.454 15.996 1.00 55.47 C +ATOM 1103 C GLN A 152 22.561 -8.628 16.519 1.00 53.82 C +ATOM 1104 O GLN A 152 21.740 -9.306 15.901 1.00 53.43 O +ATOM 1105 CB GLN A 152 24.888 -9.659 16.347 1.00 55.50 C +ATOM 1106 CG GLN A 152 24.223 -11.040 16.301 1.00 56.67 C +ATOM 1107 CD GLN A 152 24.085 -11.699 17.677 1.00 57.81 C +ATOM 1108 OE1 GLN A 152 23.854 -11.021 18.682 1.00 58.86 O +ATOM 1109 NE2 GLN A 152 24.211 -13.022 17.716 1.00 57.51 N +ATOM 1110 N GLN A 153 22.279 -7.988 17.658 1.00 51.62 N +ATOM 1111 CA GLN A 153 20.943 -7.920 18.252 1.00 49.69 C +ATOM 1112 C GLN A 153 19.957 -7.172 17.353 1.00 49.06 C +ATOM 1113 O GLN A 153 18.830 -7.625 17.149 1.00 48.39 O +ATOM 1114 CB GLN A 153 21.007 -7.208 19.603 1.00 49.34 C +ATOM 1115 CG GLN A 153 21.319 -8.095 20.786 1.00 46.96 C +ATOM 1116 CD GLN A 153 20.726 -7.547 22.061 1.00 44.30 C +ATOM 1117 OE1 GLN A 153 19.509 -7.383 22.155 1.00 42.87 O +ATOM 1118 NE2 GLN A 153 21.577 -7.256 23.044 1.00 41.85 N +ATOM 1119 N ARG A 154 20.384 -6.016 16.840 1.00 48.16 N +ATOM 1120 CA ARG A 154 19.573 -5.241 15.907 1.00 47.82 C +ATOM 1121 C ARG A 154 19.333 -5.989 14.589 1.00 46.96 C +ATOM 1122 O ARG A 154 18.275 -5.836 13.982 1.00 47.21 O +ATOM 1123 CB ARG A 154 20.191 -3.860 15.662 1.00 48.14 C +ATOM 1124 CG ARG A 154 19.773 -2.811 16.683 1.00 49.24 C +ATOM 1125 CD ARG A 154 20.646 -1.559 16.702 1.00 52.59 C +ATOM 1126 NE ARG A 154 19.933 -0.410 17.261 1.00 53.99 N +ATOM 1127 CZ ARG A 154 20.378 0.354 18.260 1.00 55.39 C +ATOM 1128 NH1 ARG A 154 21.551 0.113 18.831 1.00 55.40 N +ATOM 1129 NH2 ARG A 154 19.641 1.374 18.689 1.00 56.07 N +ATOM 1130 N ASP A 155 20.309 -6.798 14.167 1.00 45.92 N +ATOM 1131 CA ASP A 155 20.169 -7.684 13.004 1.00 45.00 C +ATOM 1132 C ASP A 155 19.165 -8.816 13.242 1.00 43.95 C +ATOM 1133 O ASP A 155 18.387 -9.166 12.348 1.00 43.61 O +ATOM 1134 CB ASP A 155 21.514 -8.310 12.640 1.00 45.49 C +ATOM 1135 CG ASP A 155 22.474 -7.327 11.985 1.00 46.51 C +ATOM 1136 OD1 ASP A 155 22.103 -6.162 11.724 1.00 47.31 O +ATOM 1137 OD2 ASP A 155 23.641 -7.649 11.697 1.00 48.58 O +ATOM 1138 N LEU A 156 19.210 -9.407 14.436 1.00 42.38 N +ATOM 1139 CA LEU A 156 18.213 -10.392 14.839 1.00 41.23 C +ATOM 1140 C LEU A 156 16.815 -9.760 14.839 1.00 39.88 C +ATOM 1141 O LEU A 156 15.877 -10.329 14.282 1.00 38.91 O +ATOM 1142 CB LEU A 156 18.540 -10.976 16.220 1.00 41.40 C +ATOM 1143 CG LEU A 156 17.496 -11.892 16.877 1.00 41.36 C +ATOM 1144 CD1 LEU A 156 17.292 -13.178 16.102 1.00 41.49 C +ATOM 1145 CD2 LEU A 156 17.890 -12.207 18.303 1.00 41.76 C +ATOM 1146 N ALA A 157 16.709 -8.587 15.465 1.00 38.79 N +ATOM 1147 CA ALA A 157 15.457 -7.844 15.570 1.00 38.59 C +ATOM 1148 C ALA A 157 14.852 -7.507 14.200 1.00 38.23 C +ATOM 1149 O ALA A 157 13.653 -7.639 14.010 1.00 38.00 O +ATOM 1150 CB ALA A 157 15.646 -6.579 16.419 1.00 38.39 C +ATOM 1151 N GLN A 158 15.688 -7.092 13.255 1.00 38.64 N +ATOM 1152 CA GLN A 158 15.245 -6.797 11.885 1.00 39.03 C +ATOM 1153 C GLN A 158 14.709 -8.055 11.207 1.00 38.20 C +ATOM 1154 O GLN A 158 13.653 -8.027 10.567 1.00 37.89 O +ATOM 1155 CB GLN A 158 16.402 -6.223 11.057 1.00 39.99 C +ATOM 1156 CG GLN A 158 15.997 -5.159 10.038 1.00 43.46 C +ATOM 1157 CD GLN A 158 16.954 -3.973 10.032 1.00 48.46 C +ATOM 1158 OE1 GLN A 158 16.567 -2.850 10.380 1.00 51.27 O +ATOM 1159 NE2 GLN A 158 18.205 -4.219 9.646 1.00 49.55 N +ATOM 1160 N ARG A 159 15.448 -9.151 11.355 1.00 37.27 N +ATOM 1161 CA ARG A 159 15.054 -10.446 10.814 1.00 36.77 C +ATOM 1162 C ARG A 159 13.727 -10.932 11.395 1.00 36.00 C +ATOM 1163 O ARG A 159 12.845 -11.406 10.666 1.00 35.10 O +ATOM 1164 CB ARG A 159 16.150 -11.471 11.086 1.00 37.23 C +ATOM 1165 CG ARG A 159 15.987 -12.780 10.323 1.00 38.52 C +ATOM 1166 CD ARG A 159 17.296 -13.576 10.142 1.00 40.30 C +ATOM 1167 NE ARG A 159 18.101 -13.653 11.368 1.00 39.41 N +ATOM 1168 CZ ARG A 159 17.804 -14.411 12.421 1.00 40.75 C +ATOM 1169 NH1 ARG A 159 18.604 -14.409 13.480 1.00 40.75 N +ATOM 1170 NH2 ARG A 159 16.706 -15.165 12.428 1.00 38.57 N +ATOM 1171 N LEU A 160 13.586 -10.802 12.711 1.00 35.18 N +ATOM 1172 CA LEU A 160 12.344 -11.173 13.376 1.00 34.80 C +ATOM 1173 C LEU A 160 11.211 -10.243 12.977 1.00 34.35 C +ATOM 1174 O LEU A 160 10.105 -10.701 12.708 1.00 33.60 O +ATOM 1175 CB LEU A 160 12.513 -11.182 14.896 1.00 34.46 C +ATOM 1176 CG LEU A 160 13.357 -12.298 15.516 1.00 34.86 C +ATOM 1177 CD1 LEU A 160 13.575 -11.991 16.995 1.00 37.34 C +ATOM 1178 CD2 LEU A 160 12.696 -13.649 15.366 1.00 35.92 C +ATOM 1179 N GLN A 161 11.485 -8.944 12.915 1.00 35.18 N +ATOM 1180 CA GLN A 161 10.411 -7.990 12.626 1.00 36.55 C +ATOM 1181 C GLN A 161 9.853 -8.160 11.209 1.00 36.56 C +ATOM 1182 O GLN A 161 8.660 -7.950 10.984 1.00 36.40 O +ATOM 1183 CB GLN A 161 10.775 -6.532 12.963 1.00 37.03 C +ATOM 1184 CG GLN A 161 9.507 -5.691 13.286 1.00 39.69 C +ATOM 1185 CD GLN A 161 9.759 -4.471 14.147 1.00 43.17 C +ATOM 1186 OE1 GLN A 161 9.568 -4.511 15.367 1.00 44.91 O +ATOM 1187 NE2 GLN A 161 10.168 -3.370 13.514 1.00 44.41 N +ATOM 1188 N GLU A 162 10.694 -8.610 10.277 1.00 36.66 N +ATOM 1189 CA GLU A 162 10.232 -8.918 8.920 1.00 36.83 C +ATOM 1190 C GLU A 162 9.295 -10.141 8.877 1.00 35.89 C +ATOM 1191 O GLU A 162 8.447 -10.277 7.972 1.00 35.49 O +ATOM 1192 CB GLU A 162 11.420 -9.092 7.962 1.00 37.65 C +ATOM 1193 CG GLU A 162 11.244 -8.367 6.633 1.00 41.51 C +ATOM 1194 CD GLU A 162 12.352 -7.364 6.334 1.00 46.04 C +ATOM 1195 OE1 GLU A 162 12.071 -6.134 6.324 1.00 47.38 O +ATOM 1196 OE2 GLU A 162 13.503 -7.803 6.087 1.00 48.52 O +ATOM 1197 N ARG A 163 9.440 -11.023 9.858 1.00 34.21 N +ATOM 1198 CA ARG A 163 8.593 -12.200 9.951 1.00 33.82 C +ATOM 1199 C ARG A 163 7.393 -11.997 10.898 1.00 33.32 C +ATOM 1200 O ARG A 163 6.323 -12.573 10.692 1.00 33.14 O +ATOM 1201 CB ARG A 163 9.426 -13.410 10.394 1.00 34.10 C +ATOM 1202 CG ARG A 163 10.617 -13.721 9.482 1.00 34.42 C +ATOM 1203 CD ARG A 163 11.603 -14.756 10.029 1.00 32.73 C +ATOM 1204 NE ARG A 163 10.922 -15.776 10.825 1.00 32.92 N +ATOM 1205 CZ ARG A 163 11.377 -16.252 11.978 1.00 32.47 C +ATOM 1206 NH1 ARG A 163 12.539 -15.828 12.471 1.00 30.33 N +ATOM 1207 NH2 ARG A 163 10.670 -17.160 12.636 1.00 32.14 N +ATOM 1208 N LEU A 164 7.582 -11.177 11.925 1.00 33.00 N +ATOM 1209 CA LEU A 164 6.608 -11.057 13.014 1.00 33.97 C +ATOM 1210 C LEU A 164 5.973 -9.671 13.121 1.00 34.26 C +ATOM 1211 O LEU A 164 5.201 -9.411 14.038 1.00 34.64 O +ATOM 1212 CB LEU A 164 7.257 -11.417 14.364 1.00 33.71 C +ATOM 1213 CG LEU A 164 8.040 -12.720 14.508 1.00 34.24 C +ATOM 1214 CD1 LEU A 164 8.686 -12.757 15.907 1.00 34.86 C +ATOM 1215 CD2 LEU A 164 7.161 -13.935 14.280 1.00 33.79 C +ATOM 1216 N GLY A 165 6.311 -8.784 12.194 1.00 34.35 N +ATOM 1217 CA GLY A 165 5.705 -7.469 12.153 1.00 35.50 C +ATOM 1218 C GLY A 165 4.921 -7.273 10.874 1.00 36.06 C +ATOM 1219 O GLY A 165 5.170 -7.962 9.886 1.00 36.31 O +ATOM 1220 N TYR A 166 3.966 -6.347 10.901 1.00 36.14 N +ATOM 1221 CA TYR A 166 3.235 -5.955 9.700 1.00 36.44 C +ATOM 1222 C TYR A 166 3.029 -4.439 9.653 1.00 36.85 C +ATOM 1223 O TYR A 166 3.002 -3.767 10.692 1.00 36.65 O +ATOM 1224 CB TYR A 166 1.897 -6.709 9.588 1.00 36.64 C +ATOM 1225 CG TYR A 166 0.838 -6.319 10.608 1.00 36.45 C +ATOM 1226 CD1 TYR A 166 -0.179 -5.414 10.286 1.00 36.84 C +ATOM 1227 CD2 TYR A 166 0.844 -6.870 11.894 1.00 37.29 C +ATOM 1228 CE1 TYR A 166 -1.155 -5.058 11.228 1.00 37.32 C +ATOM 1229 CE2 TYR A 166 -0.121 -6.525 12.839 1.00 37.66 C +ATOM 1230 CZ TYR A 166 -1.120 -5.624 12.501 1.00 38.22 C +ATOM 1231 OH TYR A 166 -2.068 -5.288 13.449 1.00 38.77 O +ATOM 1232 N LEU A 167 2.903 -3.921 8.436 1.00 36.99 N +ATOM 1233 CA LEU A 167 2.634 -2.516 8.178 1.00 37.41 C +ATOM 1234 C LEU A 167 1.133 -2.264 8.204 1.00 36.99 C +ATOM 1235 O LEU A 167 0.349 -3.043 7.650 1.00 36.98 O +ATOM 1236 CB LEU A 167 3.204 -2.108 6.808 1.00 38.04 C +ATOM 1237 CG LEU A 167 4.372 -1.110 6.695 1.00 38.75 C +ATOM 1238 CD1 LEU A 167 4.998 -0.739 8.035 1.00 40.24 C +ATOM 1239 CD2 LEU A 167 5.447 -1.621 5.731 1.00 39.88 C +ATOM 1240 N GLY A 168 0.747 -1.184 8.875 1.00 36.75 N +ATOM 1241 CA GLY A 168 -0.643 -0.764 8.963 1.00 36.39 C +ATOM 1242 C GLY A 168 -0.743 0.751 9.057 1.00 36.29 C +ATOM 1243 O GLY A 168 0.214 1.422 9.441 1.00 35.70 O +ATOM 1244 N VAL A 169 -1.899 1.295 8.694 1.00 37.05 N +ATOM 1245 CA VAL A 169 -2.112 2.741 8.759 1.00 37.45 C +ATOM 1246 C VAL A 169 -2.724 3.130 10.111 1.00 37.44 C +ATOM 1247 O VAL A 169 -3.617 2.451 10.620 1.00 37.68 O +ATOM 1248 CB VAL A 169 -2.948 3.265 7.552 1.00 37.96 C +ATOM 1249 CG1 VAL A 169 -4.211 2.462 7.363 1.00 38.93 C +ATOM 1250 CG2 VAL A 169 -3.255 4.770 7.680 1.00 38.47 C +ATOM 1251 N TYR A 170 -2.193 4.199 10.693 1.00 37.03 N +ATOM 1252 CA TYR A 170 -2.650 4.734 11.968 1.00 37.10 C +ATOM 1253 C TYR A 170 -3.009 6.203 11.741 1.00 36.42 C +ATOM 1254 O TYR A 170 -2.417 6.851 10.875 1.00 36.28 O +ATOM 1255 CB TYR A 170 -1.527 4.650 13.003 1.00 37.51 C +ATOM 1256 CG TYR A 170 -1.058 3.239 13.316 1.00 40.49 C +ATOM 1257 CD1 TYR A 170 -1.386 2.629 14.530 1.00 42.32 C +ATOM 1258 CD2 TYR A 170 -0.279 2.519 12.407 1.00 42.35 C +ATOM 1259 CE1 TYR A 170 -0.956 1.338 14.828 1.00 44.10 C +ATOM 1260 CE2 TYR A 170 0.149 1.219 12.698 1.00 44.56 C +ATOM 1261 CZ TYR A 170 -0.189 0.643 13.909 1.00 44.60 C +ATOM 1262 OH TYR A 170 0.233 -0.635 14.200 1.00 46.94 O +ATOM 1263 N TYR A 171 -3.966 6.727 12.506 1.00 35.66 N +ATOM 1264 CA TYR A 171 -4.314 8.142 12.412 1.00 34.79 C +ATOM 1265 C TYR A 171 -3.142 8.958 12.908 1.00 34.83 C +ATOM 1266 O TYR A 171 -2.604 8.676 13.976 1.00 34.15 O +ATOM 1267 CB TYR A 171 -5.564 8.495 13.228 1.00 34.66 C +ATOM 1268 CG TYR A 171 -5.964 9.948 13.054 1.00 33.78 C +ATOM 1269 CD1 TYR A 171 -5.487 10.937 13.915 1.00 33.01 C +ATOM 1270 CD2 TYR A 171 -6.791 10.333 12.001 1.00 33.67 C +ATOM 1271 CE1 TYR A 171 -5.848 12.281 13.740 1.00 34.12 C +ATOM 1272 CE2 TYR A 171 -7.154 11.661 11.815 1.00 35.22 C +ATOM 1273 CZ TYR A 171 -6.688 12.628 12.679 1.00 34.50 C +ATOM 1274 OH TYR A 171 -7.062 13.938 12.474 1.00 34.44 O +ATOM 1275 N LYS A 172 -2.711 9.957 12.139 1.00 35.11 N +ATOM 1276 CA LYS A 172 -1.628 10.769 12.667 1.00 35.27 C +ATOM 1277 C LYS A 172 -2.115 11.857 13.591 1.00 34.83 C +ATOM 1278 O LYS A 172 -2.607 12.907 13.175 1.00 34.63 O +ATOM 1279 CB LYS A 172 -0.589 11.257 11.649 1.00 36.18 C +ATOM 1280 CG LYS A 172 -1.062 11.719 10.321 1.00 38.04 C +ATOM 1281 CD LYS A 172 0.098 12.456 9.660 1.00 42.24 C +ATOM 1282 CE LYS A 172 0.215 12.147 8.185 1.00 43.35 C +ATOM 1283 NZ LYS A 172 0.640 13.380 7.462 1.00 46.23 N +ATOM 1284 N ARG A 173 -1.992 11.544 14.873 1.00 33.86 N +ATOM 1285 CA ARG A 173 -2.201 12.502 15.933 1.00 33.51 C +ATOM 1286 C ARG A 173 -1.111 13.555 15.831 1.00 33.37 C +ATOM 1287 O ARG A 173 -0.007 13.275 15.366 1.00 33.43 O +ATOM 1288 CB ARG A 173 -2.141 11.803 17.290 1.00 32.52 C +ATOM 1289 CG ARG A 173 -3.228 10.757 17.467 1.00 31.50 C +ATOM 1290 CD ARG A 173 -3.144 9.978 18.762 1.00 29.01 C +ATOM 1291 NE ARG A 173 -1.878 9.250 18.915 1.00 26.80 N +ATOM 1292 CZ ARG A 173 -1.503 8.652 20.040 1.00 27.63 C +ATOM 1293 NH1 ARG A 173 -2.301 8.699 21.103 1.00 25.94 N +ATOM 1294 NH2 ARG A 173 -0.332 8.016 20.113 1.00 25.84 N +ATOM 1295 N ASP A 174 -1.425 14.765 16.262 1.00 33.24 N +ATOM 1296 CA ASP A 174 -0.473 15.859 16.204 1.00 33.54 C +ATOM 1297 C ASP A 174 0.372 15.865 17.475 1.00 33.39 C +ATOM 1298 O ASP A 174 -0.150 16.166 18.544 1.00 33.66 O +ATOM 1299 CB ASP A 174 -1.243 17.178 16.035 1.00 33.79 C +ATOM 1300 CG ASP A 174 -0.335 18.373 15.837 1.00 35.55 C +ATOM 1301 OD1 ASP A 174 -0.859 19.447 15.463 1.00 37.52 O +ATOM 1302 OD2 ASP A 174 0.897 18.344 16.047 1.00 35.44 O +ATOM 1303 N PRO A 175 1.669 15.534 17.383 1.00 33.79 N +ATOM 1304 CA PRO A 175 2.527 15.487 18.576 1.00 33.80 C +ATOM 1305 C PRO A 175 2.640 16.828 19.304 1.00 34.15 C +ATOM 1306 O PRO A 175 2.799 16.839 20.529 1.00 33.73 O +ATOM 1307 CB PRO A 175 3.887 15.041 18.021 1.00 33.93 C +ATOM 1308 CG PRO A 175 3.562 14.359 16.753 1.00 34.38 C +ATOM 1309 CD PRO A 175 2.415 15.160 16.169 1.00 33.78 C +ATOM 1310 N ASP A 176 2.529 17.929 18.564 1.00 34.26 N +ATOM 1311 CA ASP A 176 2.569 19.277 19.146 1.00 35.40 C +ATOM 1312 C ASP A 176 1.367 19.559 20.059 1.00 34.74 C +ATOM 1313 O ASP A 176 1.398 20.474 20.888 1.00 34.65 O +ATOM 1314 CB ASP A 176 2.636 20.339 18.033 1.00 35.99 C +ATOM 1315 CG ASP A 176 3.981 20.363 17.314 1.00 38.50 C +ATOM 1316 OD1 ASP A 176 5.033 20.263 17.986 1.00 40.38 O +ATOM 1317 OD2 ASP A 176 4.082 20.482 16.070 1.00 43.10 O +ATOM 1318 N ARG A 177 0.315 18.759 19.905 1.00 34.25 N +ATOM 1319 CA ARG A 177 -0.887 18.897 20.716 1.00 33.56 C +ATOM 1320 C ARG A 177 -0.992 17.832 21.832 1.00 33.47 C +ATOM 1321 O ARG A 177 -1.988 17.802 22.558 1.00 32.37 O +ATOM 1322 CB ARG A 177 -2.134 18.890 19.819 1.00 33.59 C +ATOM 1323 CG ARG A 177 -2.396 20.221 19.125 1.00 33.27 C +ATOM 1324 CD ARG A 177 -3.818 20.394 18.664 1.00 34.60 C +ATOM 1325 NE ARG A 177 -4.035 19.615 17.466 1.00 36.11 N +ATOM 1326 CZ ARG A 177 -4.924 18.652 17.337 1.00 35.05 C +ATOM 1327 NH1 ARG A 177 -4.989 18.011 16.187 1.00 33.19 N +ATOM 1328 NH2 ARG A 177 -5.758 18.343 18.331 1.00 34.17 N +ATOM 1329 N PHE A 178 0.028 16.973 21.963 1.00 33.20 N +ATOM 1330 CA PHE A 178 0.126 16.076 23.125 1.00 33.15 C +ATOM 1331 C PHE A 178 0.273 16.913 24.378 1.00 33.95 C +ATOM 1332 O PHE A 178 1.020 17.902 24.383 1.00 34.35 O +ATOM 1333 CB PHE A 178 1.320 15.120 23.035 1.00 32.57 C +ATOM 1334 CG PHE A 178 1.230 14.107 21.926 1.00 31.24 C +ATOM 1335 CD1 PHE A 178 2.357 13.350 21.579 1.00 31.34 C +ATOM 1336 CD2 PHE A 178 0.041 13.899 21.222 1.00 28.85 C +ATOM 1337 CE1 PHE A 178 2.303 12.406 20.545 1.00 29.44 C +ATOM 1338 CE2 PHE A 178 -0.027 12.953 20.196 1.00 28.69 C +ATOM 1339 CZ PHE A 178 1.108 12.205 19.852 1.00 29.18 C +ATOM 1340 N LEU A 179 -0.425 16.512 25.438 1.00 34.42 N +ATOM 1341 CA LEU A 179 -0.376 17.206 26.723 1.00 35.44 C +ATOM 1342 C LEU A 179 1.051 17.478 27.226 1.00 36.24 C +ATOM 1343 O LEU A 179 1.295 18.520 27.822 1.00 36.41 O +ATOM 1344 CB LEU A 179 -1.188 16.448 27.788 1.00 35.28 C +ATOM 1345 CG LEU A 179 -1.325 17.050 29.197 1.00 35.67 C +ATOM 1346 CD1 LEU A 179 -2.144 18.346 29.180 1.00 35.95 C +ATOM 1347 CD2 LEU A 179 -1.920 16.044 30.191 1.00 35.24 C +ATOM 1348 N ARG A 180 1.974 16.547 26.977 1.00 37.23 N +ATOM 1349 CA ARG A 180 3.362 16.675 27.443 1.00 38.40 C +ATOM 1350 C ARG A 180 4.243 17.593 26.570 1.00 39.10 C +ATOM 1351 O ARG A 180 5.341 17.975 26.987 1.00 39.13 O +ATOM 1352 CB ARG A 180 4.022 15.292 27.587 1.00 37.98 C +ATOM 1353 CG ARG A 180 4.539 14.693 26.283 1.00 38.00 C +ATOM 1354 CD ARG A 180 5.060 13.269 26.409 1.00 36.96 C +ATOM 1355 NE ARG A 180 5.168 12.601 25.110 1.00 38.51 N +ATOM 1356 CZ ARG A 180 4.181 11.933 24.516 1.00 38.82 C +ATOM 1357 NH1 ARG A 180 2.987 11.847 25.089 1.00 39.33 N +ATOM 1358 NH2 ARG A 180 4.383 11.358 23.338 1.00 38.48 N +ATOM 1359 N ASN A 181 3.765 17.929 25.369 1.00 39.76 N +ATOM 1360 CA ASN A 181 4.511 18.786 24.446 1.00 40.45 C +ATOM 1361 C ASN A 181 3.992 20.221 24.340 1.00 40.90 C +ATOM 1362 O ASN A 181 4.607 21.052 23.666 1.00 40.90 O +ATOM 1363 CB ASN A 181 4.563 18.172 23.046 1.00 40.36 C +ATOM 1364 CG ASN A 181 5.366 16.888 22.993 1.00 41.64 C +ATOM 1365 OD1 ASN A 181 5.233 16.108 22.052 1.00 43.04 O +ATOM 1366 ND2 ASN A 181 6.206 16.663 23.999 1.00 42.26 N +ATOM 1367 N LEU A 182 2.853 20.501 24.970 1.00 41.01 N +ATOM 1368 CA LEU A 182 2.265 21.835 24.938 1.00 41.67 C +ATOM 1369 C LEU A 182 3.024 22.788 25.863 1.00 42.19 C +ATOM 1370 O LEU A 182 3.592 22.346 26.869 1.00 41.99 O +ATOM 1371 CB LEU A 182 0.789 21.795 25.355 1.00 41.38 C +ATOM 1372 CG LEU A 182 -0.233 21.115 24.442 1.00 41.22 C +ATOM 1373 CD1 LEU A 182 -1.492 20.777 25.244 1.00 40.69 C +ATOM 1374 CD2 LEU A 182 -0.569 21.989 23.242 1.00 40.06 C +ATOM 1375 N PRO A 183 3.051 24.082 25.523 1.00 42.82 N +ATOM 1376 CA PRO A 183 3.497 25.116 26.470 1.00 43.34 C +ATOM 1377 C PRO A 183 2.660 25.056 27.752 1.00 43.93 C +ATOM 1378 O PRO A 183 1.448 24.816 27.681 1.00 44.02 O +ATOM 1379 CB PRO A 183 3.231 26.426 25.717 1.00 43.04 C +ATOM 1380 CG PRO A 183 3.297 26.047 24.278 1.00 43.31 C +ATOM 1381 CD PRO A 183 2.703 24.656 24.208 1.00 42.92 C +ATOM 1382 N ALA A 184 3.300 25.278 28.900 1.00 44.38 N +ATOM 1383 CA ALA A 184 2.653 25.114 30.205 1.00 44.48 C +ATOM 1384 C ALA A 184 1.303 25.829 30.322 1.00 44.28 C +ATOM 1385 O ALA A 184 0.454 25.433 31.124 1.00 44.54 O +ATOM 1386 CB ALA A 184 3.595 25.536 31.337 1.00 44.84 C +ATOM 1387 N TYR A 185 1.106 26.867 29.515 1.00 43.58 N +ATOM 1388 CA TYR A 185 -0.146 27.610 29.510 1.00 42.88 C +ATOM 1389 C TYR A 185 -1.259 26.834 28.801 1.00 42.49 C +ATOM 1390 O TYR A 185 -2.331 26.642 29.372 1.00 42.54 O +ATOM 1391 CB TYR A 185 0.043 28.987 28.860 1.00 43.13 C +ATOM 1392 CG TYR A 185 -1.244 29.754 28.674 1.00 42.85 C +ATOM 1393 CD1 TYR A 185 -1.957 29.668 27.477 1.00 42.77 C +ATOM 1394 CD2 TYR A 185 -1.755 30.562 29.693 1.00 43.72 C +ATOM 1395 CE1 TYR A 185 -3.145 30.356 27.297 1.00 43.08 C +ATOM 1396 CE2 TYR A 185 -2.952 31.264 29.521 1.00 42.65 C +ATOM 1397 CZ TYR A 185 -3.638 31.151 28.320 1.00 42.68 C +ATOM 1398 OH TYR A 185 -4.819 31.829 28.127 1.00 44.27 O +ATOM 1399 N GLU A 186 -1.007 26.412 27.558 1.00 41.68 N +ATOM 1400 CA GLU A 186 -1.972 25.609 26.796 1.00 41.29 C +ATOM 1401 C GLU A 186 -2.182 24.251 27.486 1.00 40.74 C +ATOM 1402 O GLU A 186 -3.276 23.691 27.447 1.00 40.03 O +ATOM 1403 CB GLU A 186 -1.504 25.429 25.343 1.00 41.23 C +ATOM 1404 CG GLU A 186 -1.868 26.572 24.394 1.00 41.93 C +ATOM 1405 CD GLU A 186 -0.937 27.786 24.487 1.00 44.29 C +ATOM 1406 OE1 GLU A 186 0.114 27.713 25.172 1.00 44.66 O +ATOM 1407 OE2 GLU A 186 -1.258 28.834 23.869 1.00 43.75 O +ATOM 1408 N SER A 187 -1.115 23.749 28.115 1.00 40.57 N +ATOM 1409 CA SER A 187 -1.142 22.540 28.941 1.00 40.87 C +ATOM 1410 C SER A 187 -2.138 22.677 30.086 1.00 40.42 C +ATOM 1411 O SER A 187 -2.971 21.798 30.298 1.00 40.36 O +ATOM 1412 CB SER A 187 0.248 22.260 29.514 1.00 41.05 C +ATOM 1413 OG SER A 187 0.559 20.885 29.446 1.00 43.01 O +ATOM 1414 N GLN A 188 -2.040 23.789 30.815 1.00 40.21 N +ATOM 1415 CA GLN A 188 -2.984 24.127 31.881 1.00 39.78 C +ATOM 1416 C GLN A 188 -4.417 24.205 31.339 1.00 38.57 C +ATOM 1417 O GLN A 188 -5.346 23.710 31.971 1.00 38.32 O +ATOM 1418 CB GLN A 188 -2.562 25.437 32.569 1.00 40.33 C +ATOM 1419 CG GLN A 188 -3.696 26.297 33.144 1.00 43.00 C +ATOM 1420 CD GLN A 188 -3.503 27.792 32.866 1.00 46.93 C +ATOM 1421 OE1 GLN A 188 -3.666 28.250 31.726 1.00 47.25 O +ATOM 1422 NE2 GLN A 188 -3.160 28.551 33.906 1.00 46.82 N +ATOM 1423 N LYS A 189 -4.578 24.809 30.163 1.00 37.29 N +ATOM 1424 CA LYS A 189 -5.891 24.972 29.530 1.00 36.04 C +ATOM 1425 C LYS A 189 -6.546 23.638 29.153 1.00 34.74 C +ATOM 1426 O LYS A 189 -7.751 23.452 29.336 1.00 33.71 O +ATOM 1427 CB LYS A 189 -5.779 25.868 28.294 1.00 36.46 C +ATOM 1428 CG LYS A 189 -5.425 27.325 28.622 1.00 39.34 C +ATOM 1429 CD LYS A 189 -6.464 28.294 28.101 1.00 43.41 C +ATOM 1430 CE LYS A 189 -7.399 28.746 29.220 1.00 45.37 C +ATOM 1431 NZ LYS A 189 -8.701 29.261 28.702 1.00 47.88 N +ATOM 1432 N LEU A 190 -5.749 22.719 28.613 1.00 33.91 N +ATOM 1433 CA LEU A 190 -6.252 21.390 28.263 1.00 33.10 C +ATOM 1434 C LEU A 190 -6.595 20.611 29.524 1.00 33.07 C +ATOM 1435 O LEU A 190 -7.649 19.974 29.597 1.00 33.28 O +ATOM 1436 CB LEU A 190 -5.253 20.617 27.402 1.00 32.57 C +ATOM 1437 CG LEU A 190 -5.652 19.165 27.080 1.00 31.15 C +ATOM 1438 CD1 LEU A 190 -6.983 19.109 26.336 1.00 30.04 C +ATOM 1439 CD2 LEU A 190 -4.566 18.485 26.286 1.00 29.98 C +ATOM 1440 N HIS A 191 -5.704 20.677 30.512 1.00 32.92 N +ATOM 1441 CA HIS A 191 -5.920 20.016 31.792 1.00 33.32 C +ATOM 1442 C HIS A 191 -7.247 20.474 32.413 1.00 32.30 C +ATOM 1443 O HIS A 191 -8.057 19.651 32.831 1.00 31.67 O +ATOM 1444 CB HIS A 191 -4.737 20.281 32.742 1.00 34.05 C +ATOM 1445 CG HIS A 191 -4.873 19.611 34.075 1.00 36.57 C +ATOM 1446 ND1 HIS A 191 -4.855 20.310 35.263 1.00 40.37 N +ATOM 1447 CD2 HIS A 191 -5.056 18.312 34.408 1.00 38.74 C +ATOM 1448 CE1 HIS A 191 -5.008 19.469 36.271 1.00 40.39 C +ATOM 1449 NE2 HIS A 191 -5.136 18.250 35.778 1.00 39.81 N +ATOM 1450 N GLN A 192 -7.475 21.786 32.423 1.00 31.35 N +ATOM 1451 CA GLN A 192 -8.710 22.363 32.937 1.00 30.93 C +ATOM 1452 C GLN A 192 -9.943 21.897 32.172 1.00 29.58 C +ATOM 1453 O GLN A 192 -10.983 21.632 32.780 1.00 29.05 O +ATOM 1454 CB GLN A 192 -8.642 23.902 32.941 1.00 32.02 C +ATOM 1455 CG GLN A 192 -7.638 24.465 33.967 1.00 35.29 C +ATOM 1456 CD GLN A 192 -7.590 25.995 34.015 1.00 40.07 C +ATOM 1457 OE1 GLN A 192 -8.042 26.677 33.086 1.00 42.25 O +ATOM 1458 NE2 GLN A 192 -7.038 26.532 35.103 1.00 41.70 N +ATOM 1459 N ALA A 193 -9.828 21.810 30.850 1.00 27.74 N +ATOM 1460 CA ALA A 193 -10.914 21.324 30.011 1.00 27.52 C +ATOM 1461 C ALA A 193 -11.187 19.846 30.276 1.00 27.16 C +ATOM 1462 O ALA A 193 -12.344 19.405 30.270 1.00 26.55 O +ATOM 1463 CB ALA A 193 -10.602 21.559 28.519 1.00 27.30 C +ATOM 1464 N MET A 194 -10.120 19.083 30.517 1.00 26.81 N +ATOM 1465 CA MET A 194 -10.278 17.669 30.850 1.00 26.66 C +ATOM 1466 C MET A 194 -10.936 17.489 32.221 1.00 27.22 C +ATOM 1467 O MET A 194 -11.760 16.582 32.406 1.00 27.02 O +ATOM 1468 CB MET A 194 -8.938 16.931 30.738 1.00 26.52 C +ATOM 1469 CG MET A 194 -8.434 16.832 29.292 1.00 25.53 C +ATOM 1470 SD MET A 194 -6.895 15.919 29.106 1.00 29.09 S +ATOM 1471 CE MET A 194 -7.514 14.223 29.477 1.00 25.62 C +ATOM 1472 N GLN A 195 -10.600 18.379 33.161 1.00 27.58 N +ATOM 1473 CA GLN A 195 -11.257 18.428 34.469 1.00 28.15 C +ATOM 1474 C GLN A 195 -12.755 18.766 34.387 1.00 28.19 C +ATOM 1475 O GLN A 195 -13.575 18.153 35.069 1.00 28.12 O +ATOM 1476 CB GLN A 195 -10.564 19.439 35.387 1.00 28.74 C +ATOM 1477 CG GLN A 195 -9.156 19.073 35.824 1.00 29.95 C +ATOM 1478 CD GLN A 195 -8.526 20.148 36.707 1.00 34.89 C +ATOM 1479 OE1 GLN A 195 -8.050 19.856 37.798 1.00 38.14 O +ATOM 1480 NE2 GLN A 195 -8.534 21.386 36.240 1.00 37.29 N +ATOM 1481 N THR A 196 -13.107 19.744 33.559 1.00 28.08 N +ATOM 1482 CA THR A 196 -14.507 20.124 33.369 1.00 28.10 C +ATOM 1483 C THR A 196 -15.301 18.966 32.802 1.00 27.46 C +ATOM 1484 O THR A 196 -16.407 18.665 33.255 1.00 26.47 O +ATOM 1485 CB THR A 196 -14.593 21.325 32.423 1.00 28.35 C +ATOM 1486 OG1 THR A 196 -13.860 22.409 32.992 1.00 31.17 O +ATOM 1487 CG2 THR A 196 -16.025 21.862 32.355 1.00 28.64 C +ATOM 1488 N SER A 197 -14.717 18.321 31.796 1.00 27.38 N +ATOM 1489 CA SER A 197 -15.325 17.166 31.167 1.00 27.22 C +ATOM 1490 C SER A 197 -15.487 16.014 32.165 1.00 27.37 C +ATOM 1491 O SER A 197 -16.528 15.356 32.190 1.00 27.13 O +ATOM 1492 CB SER A 197 -14.491 16.723 29.968 1.00 26.53 C +ATOM 1493 OG SER A 197 -14.972 15.493 29.449 1.00 27.95 O +ATOM 1494 N TYR A 198 -14.453 15.774 32.969 1.00 27.91 N +ATOM 1495 CA TYR A 198 -14.488 14.711 33.975 1.00 28.74 C +ATOM 1496 C TYR A 198 -15.554 14.990 35.051 1.00 29.00 C +ATOM 1497 O TYR A 198 -16.288 14.091 35.459 1.00 28.92 O +ATOM 1498 CB TYR A 198 -13.091 14.455 34.605 1.00 28.58 C +ATOM 1499 CG TYR A 198 -12.991 13.065 35.222 1.00 28.54 C +ATOM 1500 CD1 TYR A 198 -12.553 11.968 34.464 1.00 27.35 C +ATOM 1501 CD2 TYR A 198 -13.390 12.837 36.547 1.00 27.17 C +ATOM 1502 CE1 TYR A 198 -12.504 10.674 35.026 1.00 27.84 C +ATOM 1503 CE2 TYR A 198 -13.339 11.557 37.110 1.00 26.47 C +ATOM 1504 CZ TYR A 198 -12.909 10.484 36.345 1.00 27.34 C +ATOM 1505 OH TYR A 198 -12.864 9.222 36.902 1.00 27.76 O +ATOM 1506 N ARG A 199 -15.627 16.236 35.505 1.00 29.86 N +ATOM 1507 CA ARG A 199 -16.660 16.659 36.458 1.00 31.14 C +ATOM 1508 C ARG A 199 -18.059 16.326 35.934 1.00 31.08 C +ATOM 1509 O ARG A 199 -18.926 15.857 36.679 1.00 30.99 O +ATOM 1510 CB ARG A 199 -16.551 18.165 36.741 1.00 31.43 C +ATOM 1511 CG ARG A 199 -17.494 18.672 37.837 1.00 33.71 C +ATOM 1512 CD ARG A 199 -17.091 20.010 38.465 1.00 38.15 C +ATOM 1513 NE ARG A 199 -16.582 20.938 37.467 1.00 42.17 N +ATOM 1514 CZ ARG A 199 -15.379 21.494 37.487 1.00 44.22 C +ATOM 1515 NH1 ARG A 199 -14.521 21.243 38.473 1.00 45.91 N +ATOM 1516 NH2 ARG A 199 -15.027 22.309 36.503 1.00 45.46 N +ATOM 1517 N GLU A 200 -18.263 16.578 34.647 1.00 31.23 N +ATOM 1518 CA GLU A 200 -19.533 16.296 33.985 1.00 31.95 C +ATOM 1519 C GLU A 200 -19.839 14.793 33.987 1.00 31.54 C +ATOM 1520 O GLU A 200 -20.985 14.386 34.208 1.00 30.76 O +ATOM 1521 CB GLU A 200 -19.507 16.861 32.560 1.00 32.51 C +ATOM 1522 CG GLU A 200 -20.756 16.577 31.746 1.00 36.14 C +ATOM 1523 CD GLU A 200 -20.705 17.198 30.363 1.00 40.53 C +ATOM 1524 OE1 GLU A 200 -19.670 17.041 29.674 1.00 43.11 O +ATOM 1525 OE2 GLU A 200 -21.699 17.849 29.967 1.00 41.53 O +ATOM 1526 N ILE A 201 -18.819 13.965 33.757 1.00 31.01 N +ATOM 1527 CA ILE A 201 -18.996 12.512 33.874 1.00 31.23 C +ATOM 1528 C ILE A 201 -19.428 12.131 35.302 1.00 31.67 C +ATOM 1529 O ILE A 201 -20.402 11.397 35.486 1.00 31.08 O +ATOM 1530 CB ILE A 201 -17.700 11.751 33.495 1.00 30.95 C +ATOM 1531 CG1 ILE A 201 -17.308 12.038 32.040 1.00 30.76 C +ATOM 1532 CG2 ILE A 201 -17.863 10.233 33.750 1.00 30.12 C +ATOM 1533 CD1 ILE A 201 -15.868 11.649 31.719 1.00 29.32 C +ATOM 1534 N VAL A 202 -18.698 12.637 36.292 1.00 32.09 N +ATOM 1535 CA VAL A 202 -18.925 12.285 37.692 1.00 33.24 C +ATOM 1536 C VAL A 202 -20.341 12.676 38.119 1.00 34.29 C +ATOM 1537 O VAL A 202 -21.109 11.834 38.601 1.00 34.25 O +ATOM 1538 CB VAL A 202 -17.878 12.920 38.619 1.00 33.11 C +ATOM 1539 CG1 VAL A 202 -18.309 12.826 40.091 1.00 33.45 C +ATOM 1540 CG2 VAL A 202 -16.527 12.239 38.444 1.00 33.06 C +ATOM 1541 N LEU A 203 -20.685 13.944 37.905 1.00 35.61 N +ATOM 1542 CA LEU A 203 -22.001 14.460 38.273 1.00 36.73 C +ATOM 1543 C LEU A 203 -23.123 13.665 37.628 1.00 37.09 C +ATOM 1544 O LEU A 203 -24.173 13.481 38.225 1.00 37.45 O +ATOM 1545 CB LEU A 203 -22.120 15.947 37.926 1.00 36.96 C +ATOM 1546 CG LEU A 203 -21.474 16.865 38.971 1.00 38.21 C +ATOM 1547 CD1 LEU A 203 -21.357 18.287 38.451 1.00 39.13 C +ATOM 1548 CD2 LEU A 203 -22.246 16.835 40.296 1.00 39.79 C +ATOM 1549 N SER A 204 -22.885 13.164 36.423 1.00 37.38 N +ATOM 1550 CA SER A 204 -23.931 12.465 35.690 1.00 38.06 C +ATOM 1551 C SER A 204 -23.929 10.930 35.857 1.00 37.99 C +ATOM 1552 O SER A 204 -24.920 10.266 35.519 1.00 37.95 O +ATOM 1553 CB SER A 204 -23.909 12.889 34.216 1.00 38.35 C +ATOM 1554 OG SER A 204 -23.005 12.117 33.455 1.00 40.00 O +ATOM 1555 N TYR A 205 -22.849 10.382 36.417 1.00 37.79 N +ATOM 1556 CA TYR A 205 -22.600 8.939 36.379 1.00 38.23 C +ATOM 1557 C TYR A 205 -23.752 8.067 36.914 1.00 39.39 C +ATOM 1558 O TYR A 205 -24.176 7.103 36.261 1.00 39.27 O +ATOM 1559 CB TYR A 205 -21.288 8.577 37.098 1.00 37.49 C +ATOM 1560 CG TYR A 205 -20.807 7.184 36.745 1.00 36.50 C +ATOM 1561 CD1 TYR A 205 -21.068 6.098 37.581 1.00 35.61 C +ATOM 1562 CD2 TYR A 205 -20.120 6.947 35.553 1.00 35.98 C +ATOM 1563 CE1 TYR A 205 -20.637 4.806 37.245 1.00 36.07 C +ATOM 1564 CE2 TYR A 205 -19.687 5.671 35.214 1.00 36.16 C +ATOM 1565 CZ TYR A 205 -19.952 4.607 36.058 1.00 36.26 C +ATOM 1566 OH TYR A 205 -19.518 3.349 35.708 1.00 37.60 O +ATOM 1567 N PHE A 206 -24.243 8.402 38.102 1.00 40.94 N +ATOM 1568 CA PHE A 206 -25.315 7.628 38.727 1.00 42.48 C +ATOM 1569 C PHE A 206 -26.706 8.243 38.533 1.00 44.24 C +ATOM 1570 O PHE A 206 -27.667 7.831 39.191 1.00 44.96 O +ATOM 1571 CB PHE A 206 -25.011 7.413 40.212 1.00 41.80 C +ATOM 1572 CG PHE A 206 -23.802 6.564 40.463 1.00 41.00 C +ATOM 1573 CD1 PHE A 206 -23.783 5.225 40.087 1.00 39.69 C +ATOM 1574 CD2 PHE A 206 -22.673 7.102 41.070 1.00 40.19 C +ATOM 1575 CE1 PHE A 206 -22.654 4.432 40.320 1.00 39.96 C +ATOM 1576 CE2 PHE A 206 -21.539 6.314 41.304 1.00 39.91 C +ATOM 1577 CZ PHE A 206 -21.534 4.979 40.934 1.00 38.19 C +ATOM 1578 N SER A 207 -26.805 9.226 37.637 1.00 46.12 N +ATOM 1579 CA SER A 207 -28.084 9.837 37.259 1.00 47.89 C +ATOM 1580 C SER A 207 -28.711 9.076 36.094 1.00 49.19 C +ATOM 1581 O SER A 207 -28.025 8.784 35.114 1.00 49.54 O +ATOM 1582 CB SER A 207 -27.892 11.299 36.835 1.00 47.80 C +ATOM 1583 OG SER A 207 -27.181 12.048 37.804 1.00 48.85 O +ATOM 1584 N PRO A 208 -30.007 8.766 36.177 1.00 50.53 N +ATOM 1585 CA PRO A 208 -30.699 8.106 35.063 1.00 51.17 C +ATOM 1586 C PRO A 208 -30.901 9.070 33.897 1.00 51.78 C +ATOM 1587 O PRO A 208 -30.963 10.287 34.106 1.00 52.08 O +ATOM 1588 CB PRO A 208 -32.047 7.709 35.672 1.00 51.26 C +ATOM 1589 CG PRO A 208 -32.274 8.701 36.741 1.00 51.20 C +ATOM 1590 CD PRO A 208 -30.913 9.012 37.317 1.00 50.64 C +ATOM 1591 N ASN A 209 -30.975 8.522 32.687 1.00 52.50 N +ATOM 1592 CA ASN A 209 -31.208 9.294 31.457 1.00 53.17 C +ATOM 1593 C ASN A 209 -30.326 10.534 31.239 1.00 53.09 C +ATOM 1594 O ASN A 209 -30.704 11.459 30.500 1.00 53.36 O +ATOM 1595 CB ASN A 209 -32.695 9.640 31.304 1.00 53.66 C +ATOM 1596 CG ASN A 209 -33.207 9.381 29.897 1.00 55.27 C +ATOM 1597 OD1 ASN A 209 -33.248 10.290 29.061 1.00 57.34 O +ATOM 1598 ND2 ASN A 209 -33.593 8.135 29.626 1.00 56.07 N +ATOM 1599 N SER A 210 -29.159 10.557 31.883 1.00 52.54 N +ATOM 1600 CA SER A 210 -28.167 11.592 31.618 1.00 52.02 C +ATOM 1601 C SER A 210 -27.409 11.228 30.339 1.00 51.52 C +ATOM 1602 O SER A 210 -27.531 10.107 29.834 1.00 51.87 O +ATOM 1603 CB SER A 210 -27.214 11.759 32.802 1.00 51.93 C +ATOM 1604 OG SER A 210 -26.363 10.634 32.951 1.00 52.18 O +ATOM 1605 N ASN A 211 -26.636 12.174 29.819 1.00 50.51 N +ATOM 1606 CA ASN A 211 -25.882 11.958 28.587 1.00 49.77 C +ATOM 1607 C ASN A 211 -24.454 11.477 28.899 1.00 48.59 C +ATOM 1608 O ASN A 211 -23.460 12.085 28.469 1.00 48.20 O +ATOM 1609 CB ASN A 211 -25.892 13.231 27.731 1.00 49.96 C +ATOM 1610 CG ASN A 211 -27.300 13.651 27.318 1.00 51.79 C +ATOM 1611 OD1 ASN A 211 -28.043 14.264 28.100 1.00 53.53 O +ATOM 1612 ND2 ASN A 211 -27.680 13.312 26.086 1.00 52.81 N +ATOM 1613 N LEU A 212 -24.379 10.375 29.651 1.00 46.95 N +ATOM 1614 CA LEU A 212 -23.123 9.877 30.213 1.00 45.54 C +ATOM 1615 C LEU A 212 -22.130 9.408 29.153 1.00 44.60 C +ATOM 1616 O LEU A 212 -20.965 9.801 29.188 1.00 44.73 O +ATOM 1617 CB LEU A 212 -23.371 8.764 31.250 1.00 45.42 C +ATOM 1618 CG LEU A 212 -22.146 7.989 31.761 1.00 44.83 C +ATOM 1619 CD1 LEU A 212 -21.245 8.852 32.649 1.00 43.94 C +ATOM 1620 CD2 LEU A 212 -22.537 6.698 32.482 1.00 44.66 C +ATOM 1621 N ASN A 213 -22.590 8.574 28.224 1.00 43.31 N +ATOM 1622 CA ASN A 213 -21.727 8.037 27.172 1.00 42.22 C +ATOM 1623 C ASN A 213 -21.076 9.133 26.326 1.00 40.77 C +ATOM 1624 O ASN A 213 -19.879 9.070 26.059 1.00 40.08 O +ATOM 1625 CB ASN A 213 -22.479 7.034 26.292 1.00 42.58 C +ATOM 1626 CG ASN A 213 -22.505 5.635 26.897 1.00 44.98 C +ATOM 1627 OD1 ASN A 213 -21.459 5.080 27.280 1.00 47.35 O +ATOM 1628 ND2 ASN A 213 -23.701 5.059 26.995 1.00 46.18 N +ATOM 1629 N GLN A 214 -21.869 10.137 25.938 1.00 38.84 N +ATOM 1630 CA GLN A 214 -21.363 11.319 25.232 1.00 37.41 C +ATOM 1631 C GLN A 214 -20.274 12.036 26.046 1.00 35.93 C +ATOM 1632 O GLN A 214 -19.255 12.452 25.495 1.00 35.42 O +ATOM 1633 CB GLN A 214 -22.522 12.274 24.862 1.00 37.68 C +ATOM 1634 CG GLN A 214 -22.133 13.757 24.649 1.00 39.29 C +ATOM 1635 CD GLN A 214 -23.194 14.590 23.891 1.00 41.60 C +ATOM 1636 OE1 GLN A 214 -24.222 14.071 23.455 1.00 42.31 O +ATOM 1637 NE2 GLN A 214 -22.923 15.878 23.732 1.00 41.63 N +ATOM 1638 N SER A 215 -20.499 12.166 27.351 1.00 34.07 N +ATOM 1639 CA SER A 215 -19.561 12.838 28.245 1.00 32.81 C +ATOM 1640 C SER A 215 -18.263 12.046 28.376 1.00 31.33 C +ATOM 1641 O SER A 215 -17.181 12.629 28.382 1.00 30.44 O +ATOM 1642 CB SER A 215 -20.181 13.045 29.622 1.00 32.97 C +ATOM 1643 OG SER A 215 -21.439 13.680 29.515 1.00 36.26 O +ATOM 1644 N ILE A 216 -18.379 10.724 28.508 1.00 29.78 N +ATOM 1645 CA ILE A 216 -17.199 9.854 28.523 1.00 29.00 C +ATOM 1646 C ILE A 216 -16.426 9.946 27.203 1.00 28.81 C +ATOM 1647 O ILE A 216 -15.221 10.157 27.215 1.00 28.25 O +ATOM 1648 CB ILE A 216 -17.561 8.388 28.882 1.00 28.77 C +ATOM 1649 CG1 ILE A 216 -18.114 8.323 30.313 1.00 29.37 C +ATOM 1650 CG2 ILE A 216 -16.335 7.472 28.746 1.00 28.48 C +ATOM 1651 CD1 ILE A 216 -18.662 6.927 30.704 1.00 30.54 C +ATOM 1652 N ASP A 217 -17.124 9.841 26.075 1.00 29.25 N +ATOM 1653 CA ASP A 217 -16.470 9.915 24.765 1.00 29.95 C +ATOM 1654 C ASP A 217 -15.690 11.211 24.583 1.00 29.60 C +ATOM 1655 O ASP A 217 -14.520 11.190 24.194 1.00 30.03 O +ATOM 1656 CB ASP A 217 -17.489 9.742 23.643 1.00 30.90 C +ATOM 1657 CG ASP A 217 -17.964 8.301 23.498 1.00 33.70 C +ATOM 1658 OD1 ASP A 217 -17.528 7.417 24.278 1.00 35.30 O +ATOM 1659 OD2 ASP A 217 -18.762 7.958 22.605 1.00 36.81 O +ATOM 1660 N ASN A 218 -16.339 12.330 24.884 1.00 28.90 N +ATOM 1661 CA ASN A 218 -15.703 13.646 24.890 1.00 28.92 C +ATOM 1662 C ASN A 218 -14.375 13.687 25.683 1.00 27.93 C +ATOM 1663 O ASN A 218 -13.351 14.185 25.189 1.00 27.89 O +ATOM 1664 CB ASN A 218 -16.705 14.673 25.434 1.00 29.57 C +ATOM 1665 CG ASN A 218 -16.154 16.087 25.470 1.00 31.37 C +ATOM 1666 OD1 ASN A 218 -16.069 16.706 26.529 1.00 34.55 O +ATOM 1667 ND2 ASN A 218 -15.811 16.616 24.308 1.00 33.05 N +ATOM 1668 N PHE A 219 -14.391 13.162 26.904 1.00 27.01 N +ATOM 1669 CA PHE A 219 -13.190 13.154 27.739 1.00 25.85 C +ATOM 1670 C PHE A 219 -12.129 12.289 27.080 1.00 25.03 C +ATOM 1671 O PHE A 219 -10.963 12.682 26.959 1.00 24.59 O +ATOM 1672 CB PHE A 219 -13.509 12.618 29.136 1.00 25.85 C +ATOM 1673 CG PHE A 219 -12.300 12.502 30.033 1.00 25.83 C +ATOM 1674 CD1 PHE A 219 -11.566 11.315 30.092 1.00 25.79 C +ATOM 1675 CD2 PHE A 219 -11.876 13.587 30.786 1.00 25.25 C +ATOM 1676 CE1 PHE A 219 -10.438 11.220 30.899 1.00 25.90 C +ATOM 1677 CE2 PHE A 219 -10.753 13.493 31.612 1.00 25.28 C +ATOM 1678 CZ PHE A 219 -10.033 12.304 31.658 1.00 25.27 C +ATOM 1679 N VAL A 220 -12.563 11.114 26.632 1.00 24.33 N +ATOM 1680 CA VAL A 220 -11.663 10.089 26.126 1.00 24.22 C +ATOM 1681 C VAL A 220 -11.016 10.505 24.814 1.00 24.18 C +ATOM 1682 O VAL A 220 -9.840 10.206 24.581 1.00 23.49 O +ATOM 1683 CB VAL A 220 -12.381 8.717 26.035 1.00 24.10 C +ATOM 1684 CG1 VAL A 220 -11.532 7.705 25.298 1.00 24.88 C +ATOM 1685 CG2 VAL A 220 -12.687 8.216 27.432 1.00 24.74 C +ATOM 1686 N ASN A 221 -11.768 11.235 23.985 1.00 23.96 N +ATOM 1687 CA ASN A 221 -11.198 11.834 22.777 1.00 24.69 C +ATOM 1688 C ASN A 221 -10.056 12.799 23.074 1.00 24.53 C +ATOM 1689 O ASN A 221 -9.027 12.764 22.396 1.00 24.46 O +ATOM 1690 CB ASN A 221 -12.267 12.515 21.921 1.00 24.35 C +ATOM 1691 CG ASN A 221 -13.174 11.525 21.236 1.00 26.05 C +ATOM 1692 OD1 ASN A 221 -12.815 10.355 21.058 1.00 27.24 O +ATOM 1693 ND2 ASN A 221 -14.361 11.987 20.829 1.00 26.09 N +ATOM 1694 N MET A 222 -10.230 13.652 24.079 1.00 24.03 N +ATOM 1695 CA MET A 222 -9.139 14.516 24.514 1.00 24.35 C +ATOM 1696 C MET A 222 -7.957 13.674 25.017 1.00 24.46 C +ATOM 1697 O MET A 222 -6.811 13.891 24.603 1.00 25.45 O +ATOM 1698 CB MET A 222 -9.608 15.513 25.582 1.00 24.27 C +ATOM 1699 CG MET A 222 -10.502 16.636 25.033 1.00 24.10 C +ATOM 1700 SD MET A 222 -10.922 17.903 26.257 1.00 26.31 S +ATOM 1701 CE MET A 222 -12.022 17.041 27.366 1.00 22.46 C +ATOM 1702 N ALA A 223 -8.237 12.694 25.876 1.00 23.90 N +ATOM 1703 CA ALA A 223 -7.177 11.846 26.450 1.00 23.72 C +ATOM 1704 C ALA A 223 -6.372 11.097 25.386 1.00 23.61 C +ATOM 1705 O ALA A 223 -5.140 11.010 25.478 1.00 23.81 O +ATOM 1706 CB ALA A 223 -7.769 10.862 27.482 1.00 22.78 C +ATOM 1707 N PHE A 224 -7.072 10.574 24.382 1.00 23.49 N +ATOM 1708 CA PHE A 224 -6.469 9.795 23.308 1.00 24.01 C +ATOM 1709 C PHE A 224 -5.635 10.663 22.366 1.00 24.47 C +ATOM 1710 O PHE A 224 -4.466 10.344 22.082 1.00 24.09 O +ATOM 1711 CB PHE A 224 -7.542 9.055 22.499 1.00 23.59 C +ATOM 1712 CG PHE A 224 -6.979 8.249 21.350 1.00 24.46 C +ATOM 1713 CD1 PHE A 224 -6.927 8.784 20.061 1.00 24.28 C +ATOM 1714 CD2 PHE A 224 -6.481 6.957 21.564 1.00 24.85 C +ATOM 1715 CE1 PHE A 224 -6.405 8.050 19.002 1.00 24.31 C +ATOM 1716 CE2 PHE A 224 -5.955 6.212 20.513 1.00 25.52 C +ATOM 1717 CZ PHE A 224 -5.915 6.762 19.223 1.00 24.97 C +ATOM 1718 N PHE A 225 -6.245 11.755 21.891 1.00 24.33 N +ATOM 1719 CA PHE A 225 -5.623 12.596 20.878 1.00 25.15 C +ATOM 1720 C PHE A 225 -4.520 13.468 21.432 1.00 24.91 C +ATOM 1721 O PHE A 225 -3.611 13.842 20.695 1.00 25.79 O +ATOM 1722 CB PHE A 225 -6.668 13.338 20.005 1.00 24.69 C +ATOM 1723 CG PHE A 225 -7.403 12.404 19.072 1.00 26.39 C +ATOM 1724 CD1 PHE A 225 -8.666 11.927 19.394 1.00 26.68 C +ATOM 1725 CD2 PHE A 225 -6.789 11.938 17.910 1.00 24.76 C +ATOM 1726 CE1 PHE A 225 -9.316 11.018 18.571 1.00 27.37 C +ATOM 1727 CE2 PHE A 225 -7.435 11.032 17.080 1.00 26.75 C +ATOM 1728 CZ PHE A 225 -8.695 10.568 17.403 1.00 24.56 C +ATOM 1729 N ALA A 226 -4.568 13.744 22.732 1.00 24.66 N +ATOM 1730 CA ALA A 226 -3.469 14.424 23.404 1.00 24.73 C +ATOM 1731 C ALA A 226 -2.476 13.427 24.017 1.00 24.88 C +ATOM 1732 O ALA A 226 -1.531 13.814 24.729 1.00 25.08 O +ATOM 1733 CB ALA A 226 -3.993 15.392 24.443 1.00 24.39 C +ATOM 1734 N ASP A 227 -2.710 12.149 23.738 1.00 25.17 N +ATOM 1735 CA ASP A 227 -1.843 11.053 24.173 1.00 25.57 C +ATOM 1736 C ASP A 227 -1.481 11.159 25.656 1.00 25.80 C +ATOM 1737 O ASP A 227 -0.296 11.180 26.031 1.00 25.75 O +ATOM 1738 CB ASP A 227 -0.591 10.992 23.293 1.00 25.88 C +ATOM 1739 CG ASP A 227 0.230 9.730 23.519 1.00 26.82 C +ATOM 1740 OD1 ASP A 227 1.478 9.839 23.491 1.00 27.42 O +ATOM 1741 OD2 ASP A 227 -0.276 8.598 23.722 1.00 25.22 O +ATOM 1742 N VAL A 228 -2.494 11.268 26.504 1.00 26.17 N +ATOM 1743 CA VAL A 228 -2.226 11.367 27.933 1.00 26.39 C +ATOM 1744 C VAL A 228 -2.024 9.946 28.509 1.00 26.56 C +ATOM 1745 O VAL A 228 -2.706 8.995 28.099 1.00 25.50 O +ATOM 1746 CB VAL A 228 -3.291 12.212 28.722 1.00 26.76 C +ATOM 1747 CG1 VAL A 228 -3.712 13.509 27.944 1.00 26.73 C +ATOM 1748 CG2 VAL A 228 -4.502 11.384 29.122 1.00 27.01 C +ATOM 1749 N PRO A 229 -1.060 9.790 29.415 1.00 26.82 N +ATOM 1750 CA PRO A 229 -0.877 8.504 30.102 1.00 26.70 C +ATOM 1751 C PRO A 229 -2.054 8.235 31.052 1.00 26.97 C +ATOM 1752 O PRO A 229 -2.729 9.182 31.483 1.00 25.99 O +ATOM 1753 CB PRO A 229 0.428 8.703 30.889 1.00 27.08 C +ATOM 1754 CG PRO A 229 0.530 10.215 31.081 1.00 27.72 C +ATOM 1755 CD PRO A 229 -0.072 10.807 29.838 1.00 26.61 C +ATOM 1756 N VAL A 230 -2.298 6.965 31.373 1.00 27.24 N +ATOM 1757 CA VAL A 230 -3.381 6.619 32.292 1.00 27.54 C +ATOM 1758 C VAL A 230 -3.226 7.305 33.650 1.00 27.70 C +ATOM 1759 O VAL A 230 -4.219 7.731 34.243 1.00 27.33 O +ATOM 1760 CB VAL A 230 -3.556 5.084 32.455 1.00 27.97 C +ATOM 1761 CG1 VAL A 230 -4.685 4.762 33.438 1.00 28.22 C +ATOM 1762 CG2 VAL A 230 -3.853 4.432 31.098 1.00 27.19 C +ATOM 1763 N THR A 231 -1.995 7.430 34.143 1.00 27.85 N +ATOM 1764 CA THR A 231 -1.781 8.118 35.423 1.00 29.01 C +ATOM 1765 C THR A 231 -2.369 9.528 35.448 1.00 28.64 C +ATOM 1766 O THR A 231 -2.785 9.996 36.500 1.00 28.64 O +ATOM 1767 CB THR A 231 -0.292 8.195 35.800 1.00 29.29 C +ATOM 1768 OG1 THR A 231 0.425 8.885 34.765 1.00 30.93 O +ATOM 1769 CG2 THR A 231 0.328 6.786 35.861 1.00 30.84 C +ATOM 1770 N LYS A 232 -2.392 10.210 34.301 1.00 28.65 N +ATOM 1771 CA LYS A 232 -2.945 11.571 34.252 1.00 28.97 C +ATOM 1772 C LYS A 232 -4.473 11.546 34.432 1.00 27.79 C +ATOM 1773 O LYS A 232 -5.052 12.450 35.053 1.00 27.67 O +ATOM 1774 CB LYS A 232 -2.556 12.295 32.950 1.00 29.16 C +ATOM 1775 CG LYS A 232 -1.458 13.359 33.102 1.00 34.00 C +ATOM 1776 CD LYS A 232 -1.978 14.668 33.742 1.00 36.13 C +ATOM 1777 CE LYS A 232 -0.817 15.546 34.210 1.00 38.13 C +ATOM 1778 NZ LYS A 232 -1.053 17.016 33.941 1.00 40.24 N +ATOM 1779 N VAL A 233 -5.123 10.513 33.899 1.00 26.90 N +ATOM 1780 CA VAL A 233 -6.569 10.335 34.099 1.00 26.42 C +ATOM 1781 C VAL A 233 -6.884 10.055 35.581 1.00 27.02 C +ATOM 1782 O VAL A 233 -7.811 10.636 36.159 1.00 26.17 O +ATOM 1783 CB VAL A 233 -7.139 9.224 33.174 1.00 26.61 C +ATOM 1784 CG1 VAL A 233 -8.613 8.963 33.459 1.00 25.57 C +ATOM 1785 CG2 VAL A 233 -6.936 9.606 31.691 1.00 25.78 C +ATOM 1786 N VAL A 234 -6.096 9.171 36.191 1.00 27.14 N +ATOM 1787 CA VAL A 234 -6.213 8.900 37.621 1.00 28.17 C +ATOM 1788 C VAL A 234 -6.047 10.186 38.429 1.00 28.68 C +ATOM 1789 O VAL A 234 -6.815 10.447 39.348 1.00 29.32 O +ATOM 1790 CB VAL A 234 -5.198 7.810 38.080 1.00 28.49 C +ATOM 1791 CG1 VAL A 234 -5.386 7.489 39.561 1.00 28.01 C +ATOM 1792 CG2 VAL A 234 -5.377 6.537 37.241 1.00 27.23 C +ATOM 1793 N GLU A 235 -5.070 11.013 38.066 1.00 29.73 N +ATOM 1794 CA GLU A 235 -4.855 12.235 38.824 1.00 30.34 C +ATOM 1795 C GLU A 235 -5.987 13.250 38.675 1.00 29.44 C +ATOM 1796 O GLU A 235 -6.370 13.887 39.651 1.00 29.07 O +ATOM 1797 CB GLU A 235 -3.435 12.812 38.652 1.00 31.49 C +ATOM 1798 CG GLU A 235 -3.103 13.553 37.377 1.00 35.22 C +ATOM 1799 CD GLU A 235 -1.701 14.155 37.427 1.00 39.85 C +ATOM 1800 OE1 GLU A 235 -0.710 13.381 37.468 1.00 42.40 O +ATOM 1801 OE2 GLU A 235 -1.588 15.399 37.445 1.00 41.22 O +ATOM 1802 N ILE A 236 -6.556 13.356 37.474 1.00 28.61 N +ATOM 1803 CA ILE A 236 -7.741 14.179 37.262 1.00 27.63 C +ATOM 1804 C ILE A 236 -8.891 13.673 38.144 1.00 28.10 C +ATOM 1805 O ILE A 236 -9.550 14.462 38.842 1.00 27.30 O +ATOM 1806 CB ILE A 236 -8.147 14.177 35.770 1.00 27.53 C +ATOM 1807 CG1 ILE A 236 -7.172 15.037 34.958 1.00 27.29 C +ATOM 1808 CG2 ILE A 236 -9.595 14.677 35.599 1.00 26.35 C +ATOM 1809 CD1 ILE A 236 -7.186 14.766 33.454 1.00 28.03 C +ATOM 1810 N HIS A 237 -9.131 12.361 38.097 1.00 28.16 N +ATOM 1811 CA HIS A 237 -10.116 11.729 38.973 1.00 29.14 C +ATOM 1812 C HIS A 237 -9.890 12.123 40.443 1.00 29.83 C +ATOM 1813 O HIS A 237 -10.827 12.519 41.131 1.00 29.71 O +ATOM 1814 CB HIS A 237 -10.073 10.201 38.831 1.00 28.76 C +ATOM 1815 CG HIS A 237 -10.958 9.486 39.799 1.00 27.45 C +ATOM 1816 ND1 HIS A 237 -12.294 9.259 39.554 1.00 27.70 N +ATOM 1817 CD2 HIS A 237 -10.706 8.966 41.022 1.00 28.90 C +ATOM 1818 CE1 HIS A 237 -12.827 8.623 40.580 1.00 28.47 C +ATOM 1819 NE2 HIS A 237 -11.885 8.431 41.484 1.00 29.39 N +ATOM 1820 N MET A 238 -8.647 12.003 40.905 1.00 31.40 N +ATOM 1821 CA MET A 238 -8.285 12.288 42.297 1.00 33.21 C +ATOM 1822 C MET A 238 -8.508 13.748 42.666 1.00 33.77 C +ATOM 1823 O MET A 238 -8.966 14.042 43.771 1.00 33.87 O +ATOM 1824 CB MET A 238 -6.831 11.913 42.570 1.00 34.24 C +ATOM 1825 CG MET A 238 -6.590 10.432 42.841 1.00 36.84 C +ATOM 1826 SD MET A 238 -4.817 10.115 43.005 1.00 45.90 S +ATOM 1827 CE MET A 238 -4.804 8.288 43.145 1.00 42.20 C +ATOM 1828 N GLU A 239 -8.191 14.648 41.736 1.00 34.50 N +ATOM 1829 CA GLU A 239 -8.468 16.079 41.885 1.00 35.43 C +ATOM 1830 C GLU A 239 -9.963 16.349 42.069 1.00 35.71 C +ATOM 1831 O GLU A 239 -10.352 17.133 42.936 1.00 35.79 O +ATOM 1832 CB GLU A 239 -7.949 16.870 40.675 1.00 35.68 C +ATOM 1833 CG GLU A 239 -6.441 17.088 40.655 1.00 37.58 C +ATOM 1834 CD GLU A 239 -5.875 17.283 39.251 1.00 40.98 C +ATOM 1835 OE1 GLU A 239 -4.635 17.191 39.099 1.00 41.67 O +ATOM 1836 OE2 GLU A 239 -6.655 17.529 38.299 1.00 41.57 O +ATOM 1837 N LEU A 240 -10.802 15.699 41.267 1.00 35.80 N +ATOM 1838 CA LEU A 240 -12.240 15.905 41.378 1.00 36.55 C +ATOM 1839 C LEU A 240 -12.821 15.295 42.663 1.00 37.27 C +ATOM 1840 O LEU A 240 -13.754 15.847 43.250 1.00 37.05 O +ATOM 1841 CB LEU A 240 -12.975 15.390 40.142 1.00 36.07 C +ATOM 1842 CG LEU A 240 -13.223 16.391 38.998 1.00 37.08 C +ATOM 1843 CD1 LEU A 240 -13.971 17.658 39.477 1.00 36.78 C +ATOM 1844 CD2 LEU A 240 -11.947 16.757 38.247 1.00 36.30 C +ATOM 1845 N MET A 241 -12.261 14.171 43.100 1.00 38.36 N +ATOM 1846 CA MET A 241 -12.670 13.564 44.365 1.00 39.51 C +ATOM 1847 C MET A 241 -12.348 14.491 45.545 1.00 41.04 C +ATOM 1848 O MET A 241 -13.148 14.617 46.480 1.00 41.10 O +ATOM 1849 CB MET A 241 -12.033 12.182 44.541 1.00 39.18 C +ATOM 1850 CG MET A 241 -12.517 11.137 43.551 1.00 37.52 C +ATOM 1851 SD MET A 241 -14.289 10.829 43.550 1.00 37.59 S +ATOM 1852 CE MET A 241 -14.834 11.625 42.047 1.00 37.11 C +ATOM 1853 N ASP A 242 -11.185 15.140 45.486 1.00 42.79 N +ATOM 1854 CA ASP A 242 -10.827 16.203 46.418 1.00 44.76 C +ATOM 1855 C ASP A 242 -11.952 17.232 46.490 1.00 45.79 C +ATOM 1856 O ASP A 242 -12.555 17.420 47.547 1.00 46.05 O +ATOM 1857 CB ASP A 242 -9.530 16.890 45.979 1.00 45.02 C +ATOM 1858 CG ASP A 242 -8.294 16.316 46.652 1.00 46.34 C +ATOM 1859 OD1 ASP A 242 -8.281 15.108 46.983 1.00 47.71 O +ATOM 1860 OD2 ASP A 242 -7.271 17.003 46.868 1.00 47.89 O +ATOM 1861 N GLU A 243 -12.237 17.865 45.348 1.00 46.69 N +ATOM 1862 CA GLU A 243 -13.306 18.860 45.200 1.00 47.99 C +ATOM 1863 C GLU A 243 -14.668 18.375 45.717 1.00 48.96 C +ATOM 1864 O GLU A 243 -15.407 19.137 46.343 1.00 48.97 O +ATOM 1865 CB GLU A 243 -13.418 19.288 43.725 1.00 48.01 C +ATOM 1866 CG GLU A 243 -14.507 20.307 43.395 1.00 47.90 C +ATOM 1867 CD GLU A 243 -14.754 20.444 41.894 1.00 48.31 C +ATOM 1868 OE1 GLU A 243 -15.900 20.211 41.452 1.00 47.78 O +ATOM 1869 OE2 GLU A 243 -13.804 20.778 41.149 1.00 47.70 O +ATOM 1870 N PHE A 244 -14.998 17.117 45.444 1.00 49.94 N +ATOM 1871 CA PHE A 244 -16.274 16.555 45.869 1.00 51.35 C +ATOM 1872 C PHE A 244 -16.296 16.253 47.366 1.00 52.04 C +ATOM 1873 O PHE A 244 -17.319 16.447 48.014 1.00 52.40 O +ATOM 1874 CB PHE A 244 -16.618 15.302 45.057 1.00 51.34 C +ATOM 1875 CG PHE A 244 -17.416 15.582 43.817 1.00 52.59 C +ATOM 1876 CD1 PHE A 244 -18.687 15.040 43.658 1.00 54.32 C +ATOM 1877 CD2 PHE A 244 -16.896 16.381 42.798 1.00 53.48 C +ATOM 1878 CE1 PHE A 244 -19.435 15.298 42.501 1.00 54.48 C +ATOM 1879 CE2 PHE A 244 -17.632 16.641 41.640 1.00 53.32 C +ATOM 1880 CZ PHE A 244 -18.901 16.102 41.494 1.00 54.48 C +ATOM 1881 N ALA A 245 -15.171 15.788 47.907 1.00 53.23 N +ATOM 1882 CA ALA A 245 -15.054 15.504 49.338 1.00 54.52 C +ATOM 1883 C ALA A 245 -15.303 16.756 50.180 1.00 55.63 C +ATOM 1884 O ALA A 245 -15.927 16.680 51.237 1.00 55.79 O +ATOM 1885 CB ALA A 245 -13.698 14.893 49.666 1.00 54.14 C +ATOM 1886 N LYS A 246 -14.819 17.900 49.696 1.00 56.94 N +ATOM 1887 CA LYS A 246 -15.074 19.194 50.326 1.00 58.27 C +ATOM 1888 C LYS A 246 -16.542 19.605 50.200 1.00 59.16 C +ATOM 1889 O LYS A 246 -17.134 20.100 51.159 1.00 59.48 O +ATOM 1890 CB LYS A 246 -14.162 20.277 49.739 1.00 58.27 C +ATOM 1891 CG LYS A 246 -12.687 20.098 50.072 1.00 58.65 C +ATOM 1892 CD LYS A 246 -11.844 21.207 49.457 1.00 60.09 C +ATOM 1893 CE LYS A 246 -10.741 20.640 48.572 1.00 60.52 C +ATOM 1894 NZ LYS A 246 -9.407 21.230 48.894 1.00 60.88 N +ATOM 1895 N LYS A 247 -17.122 19.389 49.020 1.00 60.16 N +ATOM 1896 CA LYS A 247 -18.536 19.668 48.772 1.00 61.30 C +ATOM 1897 C LYS A 247 -19.444 18.873 49.723 1.00 62.15 C +ATOM 1898 O LYS A 247 -20.413 19.420 50.260 1.00 62.32 O +ATOM 1899 CB LYS A 247 -18.890 19.368 47.310 1.00 61.28 C +ATOM 1900 CG LYS A 247 -20.295 19.767 46.885 1.00 61.75 C +ATOM 1901 CD LYS A 247 -20.866 18.767 45.883 1.00 63.19 C +ATOM 1902 CE LYS A 247 -22.208 19.231 45.327 1.00 63.45 C +ATOM 1903 NZ LYS A 247 -22.252 19.156 43.831 1.00 63.86 N +ATOM 1904 N LEU A 248 -19.116 17.597 49.933 1.00 62.93 N +ATOM 1905 CA LEU A 248 -19.895 16.715 50.808 1.00 63.84 C +ATOM 1906 C LEU A 248 -19.770 17.065 52.296 1.00 64.63 C +ATOM 1907 O LEU A 248 -20.761 17.025 53.031 1.00 64.56 O +ATOM 1908 CB LEU A 248 -19.518 15.245 50.585 1.00 63.60 C +ATOM 1909 CG LEU A 248 -19.822 14.591 49.230 1.00 63.58 C +ATOM 1910 CD1 LEU A 248 -19.147 13.235 49.130 1.00 62.76 C +ATOM 1911 CD2 LEU A 248 -21.319 14.463 48.965 1.00 63.39 C +ATOM 1912 N ARG A 249 -18.557 17.403 52.732 1.00 65.56 N +ATOM 1913 CA ARG A 249 -18.306 17.708 54.141 1.00 66.54 C +ATOM 1914 C ARG A 249 -18.895 19.050 54.582 1.00 67.07 C +ATOM 1915 O ARG A 249 -19.138 19.260 55.770 1.00 67.33 O +ATOM 1916 CB ARG A 249 -16.813 17.584 54.496 1.00 66.52 C +ATOM 1917 CG ARG A 249 -15.897 18.659 53.907 1.00 67.53 C +ATOM 1918 CD ARG A 249 -14.418 18.260 53.769 1.00 68.66 C +ATOM 1919 NE ARG A 249 -14.159 16.840 54.029 1.00 69.81 N +ATOM 1920 CZ ARG A 249 -13.080 16.174 53.616 1.00 70.34 C +ATOM 1921 NH1 ARG A 249 -12.946 14.887 53.910 1.00 70.71 N +ATOM 1922 NH2 ARG A 249 -12.134 16.783 52.907 1.00 70.79 N +ATOM 1923 N VAL A 250 -19.136 19.948 53.628 1.00 67.66 N +ATOM 1924 CA VAL A 250 -19.807 21.219 53.924 1.00 68.04 C +ATOM 1925 C VAL A 250 -21.314 21.145 53.617 1.00 68.21 C +ATOM 1926 O VAL A 250 -21.933 22.125 53.189 1.00 68.24 O +ATOM 1927 CB VAL A 250 -19.115 22.450 53.236 1.00 68.05 C +ATOM 1928 CG1 VAL A 250 -17.640 22.531 53.615 1.00 68.00 C +ATOM 1929 CG2 VAL A 250 -19.291 22.434 51.711 1.00 68.50 C +ATOM 1930 N GLU A 251 -21.895 19.972 53.856 1.00 68.41 N +ATOM 1931 CA GLU A 251 -23.319 19.744 53.617 1.00 68.64 C +ATOM 1932 C GLU A 251 -23.902 18.682 54.551 1.00 68.68 C +ATOM 1933 O GLU A 251 -25.123 18.569 54.683 1.00 68.85 O +ATOM 1934 CB GLU A 251 -23.567 19.359 52.153 1.00 68.67 C +ATOM 1935 CG GLU A 251 -24.285 20.431 51.346 1.00 69.21 C +ATOM 1936 CD GLU A 251 -23.619 20.710 50.008 1.00 69.92 C +ATOM 1937 OE1 GLU A 251 -22.594 21.428 49.986 1.00 70.49 O +ATOM 1938 OE2 GLU A 251 -24.122 20.218 48.975 1.00 69.78 O +ATOM 1939 N GLY A 252 -23.029 17.910 55.196 1.00 68.61 N +ATOM 1940 CA GLY A 252 -23.457 16.866 56.112 1.00 68.73 C +ATOM 1941 C GLY A 252 -23.302 15.452 55.577 1.00 68.77 C +ATOM 1942 O GLY A 252 -23.219 14.494 56.357 1.00 68.68 O +ATOM 1943 N ARG A 253 -23.263 15.328 54.248 1.00 68.61 N +ATOM 1944 CA ARG A 253 -23.168 14.034 53.571 1.00 68.48 C +ATOM 1945 C ARG A 253 -21.836 13.335 53.853 1.00 68.28 C +ATOM 1946 O ARG A 253 -20.803 13.990 54.021 1.00 68.28 O +ATOM 1947 CB ARG A 253 -23.384 14.197 52.061 1.00 68.68 C +ATOM 1948 CG ARG A 253 -24.641 14.974 51.676 1.00 69.19 C +ATOM 1949 CD ARG A 253 -25.304 14.501 50.390 1.00 70.71 C +ATOM 1950 NE ARG A 253 -26.383 13.546 50.645 1.00 72.09 N +ATOM 1951 CZ ARG A 253 -27.680 13.798 50.462 1.00 72.90 C +ATOM 1952 NH1 ARG A 253 -28.081 14.985 50.014 1.00 73.11 N +ATOM 1953 NH2 ARG A 253 -28.584 12.857 50.729 1.00 72.88 N +ATOM 1954 N SER A 254 -21.877 12.004 53.916 1.00 67.93 N +ATOM 1955 CA SER A 254 -20.703 11.191 54.237 1.00 67.53 C +ATOM 1956 C SER A 254 -19.732 11.095 53.058 1.00 67.22 C +ATOM 1957 O SER A 254 -20.154 11.033 51.899 1.00 67.12 O +ATOM 1958 CB SER A 254 -21.134 9.789 54.681 1.00 67.57 C +ATOM 1959 OG SER A 254 -20.022 8.913 54.771 1.00 67.73 O +ATOM 1960 N GLU A 255 -18.436 11.063 53.373 1.00 66.70 N +ATOM 1961 CA GLU A 255 -17.371 11.008 52.366 1.00 66.30 C +ATOM 1962 C GLU A 255 -17.060 9.572 51.927 1.00 65.60 C +ATOM 1963 O GLU A 255 -15.918 9.249 51.580 1.00 65.80 O +ATOM 1964 CB GLU A 255 -16.085 11.705 52.860 1.00 66.46 C +ATOM 1965 CG GLU A 255 -16.233 12.616 54.076 1.00 67.41 C +ATOM 1966 CD GLU A 255 -16.042 11.885 55.398 1.00 68.39 C +ATOM 1967 OE1 GLU A 255 -16.934 11.988 56.266 1.00 68.90 O +ATOM 1968 OE2 GLU A 255 -15.006 11.206 55.574 1.00 68.71 O +ATOM 1969 N ASP A 256 -18.081 8.717 51.940 1.00 64.56 N +ATOM 1970 CA ASP A 256 -17.922 7.313 51.571 1.00 63.44 C +ATOM 1971 C ASP A 256 -18.695 6.971 50.313 1.00 62.28 C +ATOM 1972 O ASP A 256 -18.528 5.894 49.745 1.00 62.31 O +ATOM 1973 CB ASP A 256 -18.343 6.400 52.721 1.00 63.76 C +ATOM 1974 CG ASP A 256 -17.470 6.576 53.937 1.00 64.63 C +ATOM 1975 OD1 ASP A 256 -16.246 6.335 53.826 1.00 65.46 O +ATOM 1976 OD2 ASP A 256 -17.916 6.972 55.036 1.00 65.84 O +ATOM 1977 N ILE A 257 -19.544 7.896 49.883 1.00 60.80 N +ATOM 1978 CA ILE A 257 -20.191 7.780 48.585 1.00 59.34 C +ATOM 1979 C ILE A 257 -19.139 7.960 47.485 1.00 58.03 C +ATOM 1980 O ILE A 257 -19.338 7.531 46.346 1.00 58.00 O +ATOM 1981 CB ILE A 257 -21.364 8.792 48.452 1.00 59.54 C +ATOM 1982 CG1 ILE A 257 -20.882 10.143 47.921 1.00 59.63 C +ATOM 1983 CG2 ILE A 257 -22.081 8.979 49.788 1.00 59.68 C +ATOM 1984 CD1 ILE A 257 -21.522 10.531 46.609 1.00 60.79 C +ATOM 1985 N LEU A 258 -18.010 8.570 47.857 1.00 56.37 N +ATOM 1986 CA LEU A 258 -16.912 8.849 46.937 1.00 54.80 C +ATOM 1987 C LEU A 258 -16.279 7.585 46.373 1.00 53.47 C +ATOM 1988 O LEU A 258 -15.802 7.593 45.241 1.00 53.26 O +ATOM 1989 CB LEU A 258 -15.822 9.689 47.613 1.00 55.01 C +ATOM 1990 CG LEU A 258 -16.147 11.074 48.173 1.00 55.52 C +ATOM 1991 CD1 LEU A 258 -15.127 11.411 49.247 1.00 57.32 C +ATOM 1992 CD2 LEU A 258 -16.154 12.143 47.092 1.00 55.63 C +ATOM 1993 N LEU A 259 -16.266 6.507 47.158 1.00 51.87 N +ATOM 1994 CA LEU A 259 -15.625 5.266 46.713 1.00 50.06 C +ATOM 1995 C LEU A 259 -16.435 4.515 45.661 1.00 48.22 C +ATOM 1996 O LEU A 259 -15.907 3.642 44.974 1.00 47.92 O +ATOM 1997 CB LEU A 259 -15.207 4.362 47.889 1.00 50.74 C +ATOM 1998 CG LEU A 259 -16.175 3.774 48.910 1.00 51.41 C +ATOM 1999 CD1 LEU A 259 -16.230 2.257 48.788 1.00 52.54 C +ATOM 2000 CD2 LEU A 259 -15.724 4.175 50.309 1.00 52.60 C +ATOM 2001 N ASP A 260 -17.706 4.872 45.513 1.00 46.12 N +ATOM 2002 CA ASP A 260 -18.496 4.353 44.401 1.00 44.33 C +ATOM 2003 C ASP A 260 -18.030 4.927 43.068 1.00 42.29 C +ATOM 2004 O ASP A 260 -18.249 4.319 42.020 1.00 41.58 O +ATOM 2005 CB ASP A 260 -19.983 4.632 44.586 1.00 44.91 C +ATOM 2006 CG ASP A 260 -20.656 3.615 45.479 1.00 47.54 C +ATOM 2007 OD1 ASP A 260 -20.543 2.392 45.200 1.00 49.16 O +ATOM 2008 OD2 ASP A 260 -21.303 3.958 46.493 1.00 49.49 O +ATOM 2009 N TYR A 261 -17.398 6.099 43.111 1.00 39.85 N +ATOM 2010 CA TYR A 261 -16.881 6.724 41.895 1.00 38.31 C +ATOM 2011 C TYR A 261 -15.622 6.032 41.355 1.00 36.65 C +ATOM 2012 O TYR A 261 -15.126 6.379 40.287 1.00 36.17 O +ATOM 2013 CB TYR A 261 -16.692 8.236 42.087 1.00 38.18 C +ATOM 2014 CG TYR A 261 -18.022 8.953 42.177 1.00 39.46 C +ATOM 2015 CD1 TYR A 261 -18.851 9.056 41.061 1.00 39.56 C +ATOM 2016 CD2 TYR A 261 -18.467 9.499 43.383 1.00 41.20 C +ATOM 2017 CE1 TYR A 261 -20.083 9.693 41.128 1.00 42.35 C +ATOM 2018 CE2 TYR A 261 -19.714 10.146 43.462 1.00 43.61 C +ATOM 2019 CZ TYR A 261 -20.512 10.236 42.325 1.00 43.55 C +ATOM 2020 OH TYR A 261 -21.737 10.867 42.366 1.00 45.19 O +ATOM 2021 N ARG A 262 -15.116 5.041 42.081 1.00 35.09 N +ATOM 2022 CA ARG A 262 -14.091 4.167 41.513 1.00 34.09 C +ATOM 2023 C ARG A 262 -14.636 3.490 40.259 1.00 32.76 C +ATOM 2024 O ARG A 262 -13.879 3.171 39.347 1.00 32.44 O +ATOM 2025 CB ARG A 262 -13.614 3.126 42.524 1.00 34.33 C +ATOM 2026 CG ARG A 262 -12.664 3.687 43.558 1.00 36.02 C +ATOM 2027 CD ARG A 262 -12.513 2.788 44.762 1.00 38.37 C +ATOM 2028 NE ARG A 262 -11.537 3.306 45.712 1.00 41.25 N +ATOM 2029 CZ ARG A 262 -11.130 2.641 46.785 1.00 42.50 C +ATOM 2030 NH1 ARG A 262 -11.616 1.434 47.045 1.00 43.35 N +ATOM 2031 NH2 ARG A 262 -10.236 3.179 47.599 1.00 43.76 N +ATOM 2032 N LEU A 263 -15.955 3.287 40.224 1.00 31.72 N +ATOM 2033 CA LEU A 263 -16.632 2.698 39.065 1.00 31.10 C +ATOM 2034 C LEU A 263 -16.543 3.611 37.850 1.00 30.31 C +ATOM 2035 O LEU A 263 -16.296 3.153 36.739 1.00 29.63 O +ATOM 2036 CB LEU A 263 -18.100 2.377 39.389 1.00 30.81 C +ATOM 2037 CG LEU A 263 -18.362 1.271 40.429 1.00 31.94 C +ATOM 2038 CD1 LEU A 263 -19.856 1.117 40.718 1.00 32.94 C +ATOM 2039 CD2 LEU A 263 -17.753 -0.076 40.020 1.00 31.66 C +ATOM 2040 N THR A 264 -16.772 4.902 38.086 1.00 29.54 N +ATOM 2041 CA THR A 264 -16.527 5.947 37.099 1.00 29.02 C +ATOM 2042 C THR A 264 -15.120 5.843 36.511 1.00 28.23 C +ATOM 2043 O THR A 264 -14.962 5.786 35.296 1.00 27.97 O +ATOM 2044 CB THR A 264 -16.729 7.328 37.763 1.00 29.01 C +ATOM 2045 OG1 THR A 264 -18.033 7.377 38.359 1.00 29.09 O +ATOM 2046 CG2 THR A 264 -16.772 8.426 36.713 1.00 29.31 C +ATOM 2047 N LEU A 265 -14.111 5.809 37.378 1.00 27.43 N +ATOM 2048 CA LEU A 265 -12.714 5.752 36.940 1.00 27.94 C +ATOM 2049 C LEU A 265 -12.424 4.485 36.132 1.00 27.75 C +ATOM 2050 O LEU A 265 -11.782 4.556 35.077 1.00 28.17 O +ATOM 2051 CB LEU A 265 -11.737 5.890 38.122 1.00 27.92 C +ATOM 2052 CG LEU A 265 -10.226 5.852 37.823 1.00 27.64 C +ATOM 2053 CD1 LEU A 265 -9.812 6.938 36.837 1.00 27.90 C +ATOM 2054 CD2 LEU A 265 -9.409 5.947 39.087 1.00 28.78 C +ATOM 2055 N ILE A 266 -12.913 3.342 36.617 1.00 27.21 N +ATOM 2056 CA ILE A 266 -12.853 2.092 35.863 1.00 26.92 C +ATOM 2057 C ILE A 266 -13.484 2.249 34.483 1.00 26.33 C +ATOM 2058 O ILE A 266 -12.892 1.841 33.491 1.00 25.64 O +ATOM 2059 CB ILE A 266 -13.565 0.932 36.616 1.00 26.60 C +ATOM 2060 CG1 ILE A 266 -12.787 0.539 37.874 1.00 27.33 C +ATOM 2061 CG2 ILE A 266 -13.713 -0.295 35.701 1.00 27.49 C +ATOM 2062 CD1 ILE A 266 -13.541 -0.431 38.788 1.00 27.19 C +ATOM 2063 N ASP A 267 -14.694 2.809 34.447 1.00 26.40 N +ATOM 2064 CA ASP A 267 -15.441 3.022 33.208 1.00 27.05 C +ATOM 2065 C ASP A 267 -14.675 3.874 32.194 1.00 26.09 C +ATOM 2066 O ASP A 267 -14.598 3.544 31.004 1.00 26.26 O +ATOM 2067 CB ASP A 267 -16.798 3.691 33.513 1.00 27.82 C +ATOM 2068 CG ASP A 267 -17.909 3.218 32.589 1.00 30.57 C +ATOM 2069 OD1 ASP A 267 -19.082 3.227 33.017 1.00 34.84 O +ATOM 2070 OD2 ASP A 267 -17.722 2.824 31.421 1.00 34.71 O +ATOM 2071 N VAL A 268 -14.114 4.970 32.681 1.00 25.41 N +ATOM 2072 CA VAL A 268 -13.377 5.900 31.843 1.00 25.02 C +ATOM 2073 C VAL A 268 -12.088 5.277 31.284 1.00 24.67 C +ATOM 2074 O VAL A 268 -11.843 5.342 30.083 1.00 24.54 O +ATOM 2075 CB VAL A 268 -13.102 7.233 32.579 1.00 24.58 C +ATOM 2076 CG1 VAL A 268 -12.161 8.109 31.753 1.00 24.31 C +ATOM 2077 CG2 VAL A 268 -14.436 7.975 32.846 1.00 24.58 C +ATOM 2078 N ILE A 269 -11.276 4.669 32.143 1.00 24.83 N +ATOM 2079 CA ILE A 269 -10.060 3.989 31.675 1.00 24.72 C +ATOM 2080 C ILE A 269 -10.362 2.832 30.701 1.00 24.40 C +ATOM 2081 O ILE A 269 -9.618 2.625 29.739 1.00 24.58 O +ATOM 2082 CB ILE A 269 -9.196 3.534 32.870 1.00 25.46 C +ATOM 2083 CG1 ILE A 269 -8.773 4.743 33.703 1.00 25.45 C +ATOM 2084 CG2 ILE A 269 -7.933 2.794 32.401 1.00 26.39 C +ATOM 2085 CD1 ILE A 269 -8.112 4.331 35.058 1.00 28.89 C +ATOM 2086 N ALA A 270 -11.458 2.103 30.934 1.00 23.61 N +ATOM 2087 CA ALA A 270 -11.890 1.031 30.026 1.00 23.37 C +ATOM 2088 C ALA A 270 -12.213 1.601 28.644 1.00 23.23 C +ATOM 2089 O ALA A 270 -11.803 1.061 27.624 1.00 22.59 O +ATOM 2090 CB ALA A 270 -13.104 0.293 30.588 1.00 23.15 C +ATOM 2091 N HIS A 271 -12.943 2.712 28.627 1.00 23.36 N +ATOM 2092 CA HIS A 271 -13.231 3.402 27.381 1.00 23.35 C +ATOM 2093 C HIS A 271 -11.946 3.851 26.662 1.00 22.67 C +ATOM 2094 O HIS A 271 -11.813 3.661 25.468 1.00 22.65 O +ATOM 2095 CB HIS A 271 -14.188 4.572 27.624 1.00 23.45 C +ATOM 2096 CG HIS A 271 -15.621 4.150 27.743 1.00 26.05 C +ATOM 2097 ND1 HIS A 271 -16.498 4.188 26.678 1.00 28.65 N +ATOM 2098 CD2 HIS A 271 -16.323 3.648 28.789 1.00 26.50 C +ATOM 2099 CE1 HIS A 271 -17.682 3.745 27.068 1.00 27.93 C +ATOM 2100 NE2 HIS A 271 -17.603 3.412 28.343 1.00 29.22 N +ATOM 2101 N LEU A 272 -11.024 4.461 27.388 1.00 22.80 N +ATOM 2102 CA LEU A 272 -9.737 4.826 26.813 1.00 23.43 C +ATOM 2103 C LEU A 272 -9.005 3.593 26.263 1.00 23.59 C +ATOM 2104 O LEU A 272 -8.507 3.612 25.131 1.00 24.18 O +ATOM 2105 CB LEU A 272 -8.880 5.612 27.822 1.00 22.90 C +ATOM 2106 CG LEU A 272 -7.529 6.138 27.315 1.00 23.59 C +ATOM 2107 CD1 LEU A 272 -7.681 7.051 26.095 1.00 23.03 C +ATOM 2108 CD2 LEU A 272 -6.756 6.873 28.422 1.00 23.57 C +ATOM 2109 N CYS A 273 -8.982 2.517 27.041 1.00 23.90 N +ATOM 2110 CA CYS A 273 -8.332 1.271 26.612 1.00 25.08 C +ATOM 2111 C CYS A 273 -8.900 0.761 25.277 1.00 25.05 C +ATOM 2112 O CYS A 273 -8.148 0.426 24.371 1.00 24.59 O +ATOM 2113 CB CYS A 273 -8.452 0.212 27.704 1.00 24.49 C +ATOM 2114 SG CYS A 273 -7.420 -1.243 27.454 1.00 27.80 S +ATOM 2115 N GLU A 274 -10.228 0.770 25.147 1.00 26.05 N +ATOM 2116 CA GLU A 274 -10.899 0.294 23.938 1.00 26.86 C +ATOM 2117 C GLU A 274 -10.577 1.141 22.730 1.00 26.97 C +ATOM 2118 O GLU A 274 -10.454 0.633 21.622 1.00 27.52 O +ATOM 2119 CB GLU A 274 -12.427 0.275 24.117 1.00 27.02 C +ATOM 2120 CG GLU A 274 -12.982 -0.997 24.741 1.00 30.24 C +ATOM 2121 CD GLU A 274 -12.673 -2.270 23.952 1.00 31.87 C +ATOM 2122 OE1 GLU A 274 -12.315 -2.211 22.749 1.00 35.67 O +ATOM 2123 OE2 GLU A 274 -12.804 -3.343 24.539 1.00 31.96 O +ATOM 2124 N MET A 275 -10.463 2.446 22.941 1.00 27.19 N +ATOM 2125 CA MET A 275 -10.092 3.343 21.865 1.00 27.07 C +ATOM 2126 C MET A 275 -8.704 2.985 21.324 1.00 26.41 C +ATOM 2127 O MET A 275 -8.520 2.892 20.114 1.00 26.56 O +ATOM 2128 CB MET A 275 -10.134 4.781 22.344 1.00 27.09 C +ATOM 2129 CG MET A 275 -9.973 5.761 21.222 1.00 31.44 C +ATOM 2130 SD MET A 275 -10.853 7.268 21.549 1.00 36.70 S +ATOM 2131 CE MET A 275 -10.359 8.166 20.079 1.00 34.72 C +ATOM 2132 N TYR A 276 -7.735 2.785 22.216 1.00 25.61 N +ATOM 2133 CA TYR A 276 -6.430 2.263 21.801 1.00 25.61 C +ATOM 2134 C TYR A 276 -6.542 0.919 21.094 1.00 26.17 C +ATOM 2135 O TYR A 276 -5.986 0.739 20.003 1.00 25.95 O +ATOM 2136 CB TYR A 276 -5.457 2.199 22.980 1.00 25.21 C +ATOM 2137 CG TYR A 276 -4.798 3.527 23.241 1.00 24.45 C +ATOM 2138 CD1 TYR A 276 -5.230 4.352 24.273 1.00 22.12 C +ATOM 2139 CD2 TYR A 276 -3.770 3.985 22.415 1.00 25.01 C +ATOM 2140 CE1 TYR A 276 -4.626 5.571 24.510 1.00 23.20 C +ATOM 2141 CE2 TYR A 276 -3.165 5.222 22.640 1.00 23.40 C +ATOM 2142 CZ TYR A 276 -3.587 5.996 23.676 1.00 23.87 C +ATOM 2143 OH TYR A 276 -2.989 7.216 23.864 1.00 25.75 O +ATOM 2144 N ARG A 277 -7.290 -0.007 21.693 1.00 26.91 N +ATOM 2145 CA ARG A 277 -7.482 -1.354 21.135 1.00 27.91 C +ATOM 2146 C ARG A 277 -8.091 -1.330 19.728 1.00 29.53 C +ATOM 2147 O ARG A 277 -7.666 -2.078 18.839 1.00 28.75 O +ATOM 2148 CB ARG A 277 -8.348 -2.204 22.084 1.00 27.10 C +ATOM 2149 CG ARG A 277 -8.607 -3.638 21.612 1.00 26.85 C +ATOM 2150 CD ARG A 277 -9.567 -4.414 22.521 1.00 26.49 C +ATOM 2151 NE ARG A 277 -10.031 -5.646 21.894 1.00 27.75 N +ATOM 2152 CZ ARG A 277 -11.255 -5.839 21.415 1.00 27.26 C +ATOM 2153 NH1 ARG A 277 -12.183 -4.882 21.489 1.00 25.52 N +ATOM 2154 NH2 ARG A 277 -11.557 -7.007 20.874 1.00 27.47 N +ATOM 2155 N ARG A 278 -9.096 -0.468 19.561 1.00 31.15 N +ATOM 2156 CA ARG A 278 -9.788 -0.238 18.300 1.00 33.45 C +ATOM 2157 C ARG A 278 -8.867 0.370 17.261 1.00 33.96 C +ATOM 2158 O ARG A 278 -9.135 0.273 16.070 1.00 34.12 O +ATOM 2159 CB ARG A 278 -10.896 0.789 18.535 1.00 34.11 C +ATOM 2160 CG ARG A 278 -12.291 0.283 18.411 1.00 37.41 C +ATOM 2161 CD ARG A 278 -13.308 1.416 18.318 1.00 43.06 C +ATOM 2162 NE ARG A 278 -13.514 2.109 19.589 1.00 46.17 N +ATOM 2163 CZ ARG A 278 -13.638 3.431 19.734 1.00 48.61 C +ATOM 2164 NH1 ARG A 278 -13.565 4.252 18.684 1.00 48.72 N +ATOM 2165 NH2 ARG A 278 -13.821 3.937 20.949 1.00 47.93 N +ATOM 2166 N SER A 279 -7.803 1.024 17.718 1.00 34.73 N +ATOM 2167 CA SER A 279 -6.942 1.789 16.824 1.00 36.53 C +ATOM 2168 C SER A 279 -5.941 0.924 16.054 1.00 37.01 C +ATOM 2169 O SER A 279 -5.383 1.373 15.054 1.00 37.02 O +ATOM 2170 CB SER A 279 -6.233 2.916 17.578 1.00 35.97 C +ATOM 2171 OG SER A 279 -5.194 2.396 18.382 1.00 37.32 O +ATOM 2172 N ILE A 280 -5.737 -0.310 16.513 1.00 37.85 N +ATOM 2173 CA ILE A 280 -4.786 -1.241 15.890 1.00 38.69 C +ATOM 2174 C ILE A 280 -5.323 -1.763 14.552 1.00 39.63 C +ATOM 2175 O ILE A 280 -6.355 -2.434 14.519 1.00 39.35 O +ATOM 2176 CB ILE A 280 -4.464 -2.439 16.853 1.00 38.69 C +ATOM 2177 CG1 ILE A 280 -4.121 -1.956 18.275 1.00 38.20 C +ATOM 2178 CG2 ILE A 280 -3.355 -3.346 16.275 1.00 38.29 C +ATOM 2179 CD1 ILE A 280 -3.049 -0.849 18.362 1.00 38.36 C +ATOM 2180 N PRO A 281 -4.627 -1.466 13.453 1.00 41.12 N +ATOM 2181 CA PRO A 281 -5.060 -1.923 12.121 1.00 42.15 C +ATOM 2182 C PRO A 281 -5.175 -3.445 12.008 1.00 43.34 C +ATOM 2183 O PRO A 281 -4.361 -4.167 12.587 1.00 43.20 O +ATOM 2184 CB PRO A 281 -3.978 -1.388 11.181 1.00 42.25 C +ATOM 2185 CG PRO A 281 -2.825 -1.014 12.053 1.00 41.93 C +ATOM 2186 CD PRO A 281 -3.391 -0.666 13.393 1.00 41.05 C +ATOM 2187 N ARG A 282 -6.192 -3.895 11.270 1.00 44.91 N +ATOM 2188 CA ARG A 282 -6.531 -5.311 11.056 1.00 46.53 C +ATOM 2189 C ARG A 282 -6.941 -6.029 12.342 1.00 47.24 C +ATOM 2190 O ARG A 282 -8.133 -6.087 12.680 1.00 48.19 O +ATOM 2191 CB ARG A 282 -5.412 -6.065 10.303 1.00 47.18 C +ATOM 2192 CG ARG A 282 -4.476 -6.886 11.190 1.00 48.72 C +ATOM 2193 CD ARG A 282 -4.182 -8.279 10.678 1.00 51.78 C +ATOM 2194 NE ARG A 282 -3.095 -8.258 9.706 1.00 54.46 N +ATOM 2195 CZ ARG A 282 -3.231 -8.530 8.414 1.00 55.72 C +ATOM 2196 NH1 ARG A 282 -2.169 -8.477 7.618 1.00 56.27 N +ATOM 2197 NH2 ARG A 282 -4.421 -8.856 7.915 1.00 56.39 N +TER 2198 ARG A 282 +END diff --git a/bench/main_benchmark/structures/SFB_FS_KAIA_1R8JA_1R8QA/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_KAIA_1R8JA_1R8QA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..981b30f274f5461680b2749c7b801f614067abcd --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_KAIA_1R8JA_1R8QA/state_b.pdb @@ -0,0 +1,1447 @@ +ATOM 1 N GLY A 2 -19.119 20.614 44.151 1.00 47.44 N +ATOM 2 CA GLY A 2 -18.891 20.770 42.666 1.00 47.19 C +ATOM 3 C GLY A 2 -17.493 21.258 42.290 1.00 45.88 C +ATOM 4 O GLY A 2 -17.161 22.428 42.543 1.00 47.53 O +ATOM 5 N ASN A 3 -16.690 20.400 41.648 1.00 43.42 N +ATOM 6 CA ASN A 3 -15.220 20.584 41.616 1.00 40.50 C +ATOM 7 C ASN A 3 -14.812 22.011 41.158 1.00 38.10 C +ATOM 8 O ASN A 3 -14.984 22.364 40.002 1.00 37.30 O +ATOM 9 CB ASN A 3 -14.559 19.428 40.805 1.00 39.85 C +ATOM 10 CG ASN A 3 -13.032 19.333 41.012 1.00 40.31 C +ATOM 11 OD1 ASN A 3 -12.326 20.344 40.948 1.00 38.84 O +ATOM 12 ND2 ASN A 3 -12.520 18.106 41.266 1.00 33.67 N +ATOM 13 N ILE A 4 -14.349 22.840 42.089 1.00 36.23 N +ATOM 14 CA ILE A 4 -13.950 24.231 41.775 1.00 36.14 C +ATOM 15 C ILE A 4 -12.901 24.301 40.650 1.00 33.76 C +ATOM 16 O ILE A 4 -12.944 25.232 39.830 1.00 32.18 O +ATOM 17 CB ILE A 4 -13.246 25.007 42.944 1.00 37.49 C +ATOM 18 CG1 ILE A 4 -12.470 24.078 43.852 1.00 40.17 C +ATOM 19 CG2 ILE A 4 -14.153 25.984 43.723 1.00 41.20 C +ATOM 20 CD1 ILE A 4 -11.233 24.769 44.313 1.00 43.17 C +ATOM 21 N PHE A 5 -11.925 23.394 40.689 1.00 29.32 N +ATOM 22 CA PHE A 5 -10.879 23.386 39.665 1.00 29.90 C +ATOM 23 C PHE A 5 -11.421 22.999 38.287 1.00 29.84 C +ATOM 24 O PHE A 5 -11.130 23.649 37.298 1.00 29.33 O +ATOM 25 CB PHE A 5 -9.727 22.453 40.063 1.00 29.10 C +ATOM 26 CG PHE A 5 -9.165 22.769 41.392 1.00 26.54 C +ATOM 27 CD1 PHE A 5 -8.514 23.977 41.622 1.00 27.28 C +ATOM 28 CD2 PHE A 5 -9.349 21.906 42.438 1.00 29.69 C +ATOM 29 CE1 PHE A 5 -8.018 24.288 42.864 1.00 30.25 C +ATOM 30 CE2 PHE A 5 -8.814 22.188 43.665 1.00 32.78 C +ATOM 31 CZ PHE A 5 -8.153 23.371 43.898 1.00 29.51 C +ATOM 32 N ALA A 6 -12.235 21.971 38.225 1.00 30.58 N +ATOM 33 CA ALA A 6 -12.838 21.588 36.923 1.00 31.60 C +ATOM 34 C ALA A 6 -13.681 22.712 36.319 1.00 32.13 C +ATOM 35 O ALA A 6 -13.681 22.885 35.100 1.00 32.17 O +ATOM 36 CB ALA A 6 -13.651 20.296 37.043 1.00 31.76 C +ATOM 37 N ASN A 7 -14.381 23.477 37.164 1.00 32.50 N +ATOM 38 CA ASN A 7 -15.221 24.606 36.700 1.00 32.31 C +ATOM 39 C ASN A 7 -14.412 25.728 36.008 1.00 32.31 C +ATOM 40 O ASN A 7 -14.902 26.429 35.150 1.00 30.72 O +ATOM 41 CB ASN A 7 -16.043 25.136 37.850 1.00 32.92 C +ATOM 42 CG ASN A 7 -17.081 24.093 38.343 1.00 37.59 C +ATOM 43 OD1 ASN A 7 -17.467 23.183 37.582 1.00 41.31 O +ATOM 44 ND2 ASN A 7 -17.525 24.214 39.610 1.00 37.74 N +ATOM 45 N LEU A 8 -13.140 25.847 36.346 1.00 31.12 N +ATOM 46 CA LEU A 8 -12.235 26.722 35.611 1.00 32.01 C +ATOM 47 C LEU A 8 -12.120 26.434 34.122 1.00 33.14 C +ATOM 48 O LEU A 8 -11.824 27.346 33.355 1.00 32.90 O +ATOM 49 CB LEU A 8 -10.839 26.614 36.188 1.00 31.05 C +ATOM 50 CG LEU A 8 -10.625 27.340 37.502 1.00 32.06 C +ATOM 51 CD1 LEU A 8 -9.190 27.166 37.935 1.00 30.22 C +ATOM 52 CD2 LEU A 8 -10.940 28.820 37.341 1.00 35.62 C +ATOM 53 N PHE A 9 -12.271 25.166 33.740 1.00 33.76 N +ATOM 54 CA PHE A 9 -12.051 24.754 32.359 1.00 36.43 C +ATOM 55 C PHE A 9 -13.377 24.484 31.614 1.00 39.95 C +ATOM 56 O PHE A 9 -13.357 23.950 30.531 1.00 39.47 O +ATOM 57 CB PHE A 9 -11.149 23.513 32.313 1.00 35.02 C +ATOM 58 CG PHE A 9 -9.827 23.743 32.938 1.00 32.01 C +ATOM 59 CD1 PHE A 9 -8.800 24.293 32.215 1.00 30.63 C +ATOM 60 CD2 PHE A 9 -9.644 23.502 34.274 1.00 30.27 C +ATOM 61 CE1 PHE A 9 -7.588 24.559 32.827 1.00 29.00 C +ATOM 62 CE2 PHE A 9 -8.429 23.724 34.893 1.00 23.36 C +ATOM 63 CZ PHE A 9 -7.432 24.299 34.194 1.00 29.26 C +ATOM 64 N LYS A 10 -14.484 24.906 32.215 1.00 44.99 N +ATOM 65 CA LYS A 10 -15.847 24.513 31.815 1.00 49.68 C +ATOM 66 C LYS A 10 -16.134 24.855 30.377 1.00 52.88 C +ATOM 67 O LYS A 10 -16.779 24.077 29.678 1.00 54.50 O +ATOM 68 CB LYS A 10 -16.907 25.169 32.730 1.00 49.48 C +ATOM 69 CG LYS A 10 -17.076 26.697 32.564 1.00 51.62 C +ATOM 70 CD LYS A 10 -17.971 27.350 33.665 1.00 53.33 C +ATOM 71 CE LYS A 10 -17.120 27.931 34.810 1.00 54.51 C +ATOM 72 NZ LYS A 10 -17.777 28.950 35.681 1.00 55.18 N +ATOM 73 N GLY A 11 -15.660 26.015 29.942 1.00 56.79 N +ATOM 74 CA GLY A 11 -15.859 26.442 28.574 1.00 59.86 C +ATOM 75 C GLY A 11 -14.532 26.564 27.865 1.00 62.61 C +ATOM 76 O GLY A 11 -13.980 27.680 27.781 1.00 63.32 O +ATOM 77 N LEU A 12 -14.006 25.421 27.393 1.00 65.49 N +ATOM 78 CA LEU A 12 -12.853 25.397 26.466 1.00 67.51 C +ATOM 79 C LEU A 12 -13.313 25.470 24.990 1.00 69.04 C +ATOM 80 O LEU A 12 -12.852 26.362 24.255 1.00 69.77 O +ATOM 81 CB LEU A 12 -11.942 24.180 26.715 1.00 67.65 C +ATOM 82 CG LEU A 12 -10.866 24.423 27.785 1.00 68.40 C +ATOM 83 CD1 LEU A 12 -10.258 23.107 28.253 1.00 69.39 C +ATOM 84 CD2 LEU A 12 -9.785 25.369 27.301 1.00 68.73 C +ATOM 85 N PHE A 13 -14.178 24.521 24.590 1.00 70.47 N +ATOM 86 CA PHE A 13 -15.062 24.573 23.383 1.00 71.55 C +ATOM 87 C PHE A 13 -15.335 23.143 22.815 1.00 71.42 C +ATOM 88 O PHE A 13 -15.299 22.933 21.598 1.00 71.79 O +ATOM 89 CB PHE A 13 -14.539 25.549 22.273 1.00 72.07 C +ATOM 90 CG PHE A 13 -15.145 25.317 20.868 1.00 74.80 C +ATOM 91 CD1 PHE A 13 -14.380 24.732 19.840 1.00 76.69 C +ATOM 92 CD2 PHE A 13 -16.466 25.688 20.578 1.00 76.87 C +ATOM 93 CE1 PHE A 13 -14.931 24.508 18.560 1.00 77.68 C +ATOM 94 CE2 PHE A 13 -17.021 25.467 19.294 1.00 77.79 C +ATOM 95 CZ PHE A 13 -16.249 24.879 18.290 1.00 77.98 C +ATOM 96 N GLY A 14 -15.628 22.160 23.675 1.00 71.12 N +ATOM 97 CA GLY A 14 -15.625 20.761 23.237 1.00 70.62 C +ATOM 98 C GLY A 14 -14.462 20.594 22.263 1.00 70.15 C +ATOM 99 O GLY A 14 -14.552 19.849 21.273 1.00 70.17 O +ATOM 100 N LYS A 15 -13.363 21.286 22.594 1.00 69.02 N +ATOM 101 CA LYS A 15 -12.402 21.837 21.620 1.00 68.14 C +ATOM 102 C LYS A 15 -11.492 20.797 20.976 1.00 66.32 C +ATOM 103 O LYS A 15 -11.014 21.000 19.839 1.00 66.63 O +ATOM 104 CB LYS A 15 -11.533 22.943 22.286 1.00 68.68 C +ATOM 105 CG LYS A 15 -11.023 24.035 21.315 1.00 70.43 C +ATOM 106 CD LYS A 15 -9.863 24.870 21.889 1.00 72.29 C +ATOM 107 CE LYS A 15 -9.991 26.369 21.521 1.00 73.32 C +ATOM 108 NZ LYS A 15 -8.700 26.974 21.046 1.00 73.53 N +ATOM 109 N LYS A 16 -11.319 19.678 21.686 1.00 63.23 N +ATOM 110 CA LYS A 16 -10.226 18.721 21.502 1.00 61.00 C +ATOM 111 C LYS A 16 -9.732 18.448 22.923 1.00 57.76 C +ATOM 112 O LYS A 16 -9.679 19.363 23.746 1.00 57.54 O +ATOM 113 CB LYS A 16 -9.044 19.247 20.636 1.00 61.59 C +ATOM 114 CG LYS A 16 -8.142 20.303 21.338 1.00 63.64 C +ATOM 115 CD LYS A 16 -7.095 20.956 20.422 1.00 66.29 C +ATOM 116 CE LYS A 16 -5.773 21.228 21.184 1.00 67.46 C +ATOM 117 NZ LYS A 16 -5.116 22.536 20.812 1.00 68.88 N +ATOM 118 N GLU A 17 -9.369 17.204 23.205 1.00 53.64 N +ATOM 119 CA GLU A 17 -8.830 16.856 24.494 1.00 50.75 C +ATOM 120 C GLU A 17 -7.553 17.709 24.709 1.00 46.22 C +ATOM 121 O GLU A 17 -6.742 17.907 23.793 1.00 46.07 O +ATOM 122 CB GLU A 17 -8.525 15.346 24.579 1.00 51.93 C +ATOM 123 CG GLU A 17 -9.130 14.627 25.791 1.00 55.71 C +ATOM 124 CD GLU A 17 -10.531 14.098 25.511 1.00 61.00 C +ATOM 125 OE1 GLU A 17 -11.403 14.905 25.106 1.00 63.25 O +ATOM 126 OE2 GLU A 17 -10.760 12.880 25.679 1.00 63.73 O +ATOM 127 N MET A 18 -7.423 18.268 25.897 1.00 40.51 N +ATOM 128 CA MET A 18 -6.149 18.882 26.277 1.00 37.00 C +ATOM 129 C MET A 18 -5.480 18.123 27.334 1.00 31.96 C +ATOM 130 O MET A 18 -6.129 17.503 28.189 1.00 28.73 O +ATOM 131 CB MET A 18 -6.375 20.298 26.657 1.00 37.27 C +ATOM 132 CG MET A 18 -6.741 21.007 25.375 1.00 41.21 C +ATOM 133 SD MET A 18 -6.411 22.670 25.460 1.00 41.36 S +ATOM 134 CE MET A 18 -7.517 22.956 26.733 1.00 41.89 C +ATOM 135 N ARG A 19 -4.158 18.095 27.208 1.00 27.97 N +ATOM 136 CA ARG A 19 -3.341 17.287 28.028 1.00 26.52 C +ATOM 137 C ARG A 19 -2.245 18.198 28.645 1.00 23.29 C +ATOM 138 O ARG A 19 -1.528 18.871 27.916 1.00 21.65 O +ATOM 139 CB ARG A 19 -2.641 16.210 27.206 1.00 27.86 C +ATOM 140 CG ARG A 19 -3.612 15.245 26.513 1.00 34.03 C +ATOM 141 CD ARG A 19 -2.912 14.103 25.736 1.00 36.24 C +ATOM 142 NE ARG A 19 -1.953 13.312 26.543 1.00 39.30 N +ATOM 143 CZ ARG A 19 -0.610 13.395 26.428 1.00 42.54 C +ATOM 144 NH1 ARG A 19 -0.047 14.301 25.587 1.00 39.99 N +ATOM 145 NH2 ARG A 19 0.174 12.605 27.153 1.00 40.63 N +ATOM 146 N ILE A 20 -2.107 18.062 29.933 1.00 20.90 N +ATOM 147 CA ILE A 20 -1.170 18.831 30.749 1.00 19.74 C +ATOM 148 C ILE A 20 -0.324 17.811 31.405 1.00 19.20 C +ATOM 149 O ILE A 20 -0.864 16.881 32.036 1.00 21.07 O +ATOM 150 CB ILE A 20 -1.907 19.651 31.829 1.00 20.14 C +ATOM 151 CG1 ILE A 20 -2.980 20.537 31.218 1.00 18.41 C +ATOM 152 CG2 ILE A 20 -0.923 20.577 32.605 1.00 19.08 C +ATOM 153 CD1 ILE A 20 -2.544 21.517 30.232 1.00 22.84 C +ATOM 154 N LEU A 21 1.005 17.991 31.386 1.00 17.75 N +ATOM 155 CA LEU A 21 1.859 17.091 32.097 1.00 16.98 C +ATOM 156 C LEU A 21 2.373 17.840 33.293 1.00 17.54 C +ATOM 157 O LEU A 21 2.659 19.048 33.196 1.00 18.38 O +ATOM 158 CB LEU A 21 3.040 16.693 31.195 1.00 20.67 C +ATOM 159 CG LEU A 21 2.657 15.632 30.127 1.00 25.24 C +ATOM 160 CD1 LEU A 21 3.889 15.198 29.443 1.00 29.70 C +ATOM 161 CD2 LEU A 21 1.802 14.433 30.623 1.00 28.68 C +ATOM 162 N MET A 22 2.562 17.169 34.378 1.00 17.47 N +ATOM 163 CA MET A 22 3.149 17.711 35.602 1.00 18.60 C +ATOM 164 C MET A 22 4.460 17.025 35.996 1.00 19.12 C +ATOM 165 O MET A 22 4.540 15.815 36.120 1.00 20.99 O +ATOM 166 CB MET A 22 2.136 17.647 36.785 1.00 17.19 C +ATOM 167 CG MET A 22 2.679 18.173 38.040 1.00 19.26 C +ATOM 168 SD MET A 22 1.569 18.076 39.436 1.00 28.59 S +ATOM 169 CE MET A 22 0.657 19.185 39.075 1.00 22.72 C +ATOM 170 N VAL A 23 5.513 17.804 36.167 1.00 17.54 N +ATOM 171 CA VAL A 23 6.847 17.303 36.356 1.00 15.98 C +ATOM 172 C VAL A 23 7.479 18.040 37.526 1.00 17.75 C +ATOM 173 O VAL A 23 7.100 19.166 37.807 1.00 18.28 O +ATOM 174 CB AVAL A 23 7.661 17.458 35.066 0.50 17.43 C +ATOM 175 CB BVAL A 23 7.660 17.441 35.033 0.50 17.61 C +ATOM 176 CG1AVAL A 23 6.844 16.986 33.818 0.50 16.37 C +ATOM 177 CG1BVAL A 23 9.227 17.398 35.221 0.50 16.92 C +ATOM 178 CG2AVAL A 23 8.099 18.814 34.885 0.50 16.64 C +ATOM 179 CG2BVAL A 23 7.240 16.269 34.091 0.50 16.94 C +ATOM 180 N GLY A 24 8.427 17.417 38.184 1.00 17.88 N +ATOM 181 CA GLY A 24 9.118 18.026 39.286 1.00 18.74 C +ATOM 182 C GLY A 24 9.963 16.933 39.915 1.00 19.68 C +ATOM 183 O GLY A 24 9.659 15.720 39.765 1.00 19.05 O +ATOM 184 N LEU A 25 10.997 17.345 40.653 1.00 19.55 N +ATOM 185 CA LEU A 25 11.828 16.376 41.339 1.00 20.25 C +ATOM 186 C LEU A 25 10.982 15.651 42.349 1.00 20.54 C +ATOM 187 O LEU A 25 9.927 16.141 42.789 1.00 19.61 O +ATOM 188 CB LEU A 25 12.980 17.034 42.077 1.00 20.01 C +ATOM 189 CG LEU A 25 13.909 17.916 41.217 1.00 21.88 C +ATOM 190 CD1 LEU A 25 15.040 18.530 41.999 1.00 21.63 C +ATOM 191 CD2 LEU A 25 14.446 17.096 40.038 1.00 23.53 C +ATOM 192 N ASP A 26 11.480 14.507 42.764 1.00 20.41 N +ATOM 193 CA ASP A 26 10.899 13.820 43.937 1.00 22.12 C +ATOM 194 C ASP A 26 10.764 14.766 45.110 1.00 20.92 C +ATOM 195 O ASP A 26 11.647 15.561 45.378 1.00 21.10 O +ATOM 196 CB ASP A 26 11.809 12.714 44.389 1.00 22.16 C +ATOM 197 CG ASP A 26 11.798 11.574 43.495 1.00 29.59 C +ATOM 198 OD1 ASP A 26 10.723 11.323 42.870 1.00 32.10 O +ATOM 199 OD2 ASP A 26 12.826 10.821 43.458 1.00 38.03 O +ATOM 200 N ALA A 27 9.634 14.657 45.791 1.00 19.57 N +ATOM 201 CA ALA A 27 9.290 15.461 46.969 1.00 20.24 C +ATOM 202 C ALA A 27 8.867 16.907 46.724 1.00 19.47 C +ATOM 203 O ALA A 27 8.617 17.662 47.693 1.00 19.91 O +ATOM 204 CB ALA A 27 10.381 15.346 48.079 1.00 21.66 C +ATOM 205 N ALA A 28 8.700 17.309 45.459 1.00 18.63 N +ATOM 206 CA ALA A 28 8.363 18.713 45.188 1.00 19.11 C +ATOM 207 C ALA A 28 6.917 19.024 45.597 1.00 18.58 C +ATOM 208 O ALA A 28 6.622 20.176 45.891 1.00 18.08 O +ATOM 209 CB ALA A 28 8.485 19.001 43.730 1.00 18.79 C +ATOM 210 N GLY A 29 6.048 18.013 45.560 1.00 18.16 N +ATOM 211 CA GLY A 29 4.637 18.132 45.902 1.00 17.20 C +ATOM 212 C GLY A 29 3.592 17.668 44.888 1.00 17.77 C +ATOM 213 O GLY A 29 2.443 18.061 44.979 1.00 16.94 O +ATOM 214 N LYS A 30 4.002 16.919 43.855 1.00 16.50 N +ATOM 215 CA LYS A 30 3.132 16.574 42.757 1.00 16.00 C +ATOM 216 C LYS A 30 2.003 15.754 43.242 1.00 15.88 C +ATOM 217 O LYS A 30 0.839 16.065 42.898 1.00 17.22 O +ATOM 218 CB LYS A 30 3.927 15.814 41.667 1.00 16.55 C +ATOM 219 CG LYS A 30 5.063 16.662 41.125 1.00 16.38 C +ATOM 220 CD LYS A 30 5.885 15.848 40.083 1.00 21.08 C +ATOM 221 CE LYS A 30 6.496 14.572 40.606 1.00 18.79 C +ATOM 222 NZ LYS A 30 7.627 14.715 41.548 1.00 16.22 N +ATOM 223 N THR A 31 2.283 14.683 43.995 1.00 15.38 N +ATOM 224 CA THR A 31 1.187 13.811 44.440 1.00 17.19 C +ATOM 225 C THR A 31 0.117 14.575 45.280 1.00 16.43 C +ATOM 226 O THR A 31 -1.071 14.398 45.138 1.00 18.04 O +ATOM 227 CB THR A 31 1.814 12.609 45.160 1.00 18.61 C +ATOM 228 OG1 THR A 31 2.570 11.796 44.159 1.00 20.43 O +ATOM 229 CG2 THR A 31 0.825 11.785 45.898 1.00 23.48 C +ATOM 230 N THR A 32 0.630 15.461 46.129 1.00 16.51 N +ATOM 231 CA THR A 32 -0.158 16.264 47.006 1.00 17.14 C +ATOM 232 C THR A 32 -1.088 17.199 46.215 1.00 16.41 C +ATOM 233 O THR A 32 -2.289 17.301 46.481 1.00 16.30 O +ATOM 234 CB THR A 32 0.768 17.101 47.908 1.00 17.16 C +ATOM 235 OG1 THR A 32 1.554 16.208 48.729 1.00 16.75 O +ATOM 236 CG2 THR A 32 -0.099 17.911 48.904 1.00 19.76 C +ATOM 237 N ILE A 33 -0.548 17.837 45.178 1.00 16.81 N +ATOM 238 CA ILE A 33 -1.398 18.648 44.306 1.00 17.03 C +ATOM 239 C ILE A 33 -2.508 17.827 43.681 1.00 19.57 C +ATOM 240 O ILE A 33 -3.657 18.246 43.604 1.00 19.96 O +ATOM 241 CB ILE A 33 -0.541 19.378 43.235 1.00 16.80 C +ATOM 242 CG1 ILE A 33 0.351 20.346 43.931 1.00 19.21 C +ATOM 243 CG2 ILE A 33 -1.406 20.010 42.160 1.00 18.89 C +ATOM 244 CD1 ILE A 33 1.528 20.972 43.085 1.00 24.63 C +ATOM 245 N LEU A 34 -2.163 16.653 43.168 1.00 20.15 N +ATOM 246 CA LEU A 34 -3.195 15.853 42.526 1.00 22.19 C +ATOM 247 C LEU A 34 -4.298 15.457 43.499 1.00 20.12 C +ATOM 248 O LEU A 34 -5.437 15.337 43.104 1.00 22.40 O +ATOM 249 CB LEU A 34 -2.547 14.589 41.957 1.00 22.60 C +ATOM 250 CG LEU A 34 -1.763 14.758 40.660 1.00 30.65 C +ATOM 251 CD1 LEU A 34 -2.205 13.631 39.758 1.00 37.10 C +ATOM 252 CD2 LEU A 34 -1.879 16.049 39.904 1.00 35.36 C +ATOM 253 N TYR A 35 -3.947 15.219 44.760 1.00 19.50 N +ATOM 254 CA TYR A 35 -4.964 14.838 45.778 1.00 19.31 C +ATOM 255 C TYR A 35 -5.960 15.989 45.885 1.00 18.33 C +ATOM 256 O TYR A 35 -7.192 15.806 46.015 1.00 19.46 O +ATOM 257 CB TYR A 35 -4.306 14.539 47.139 1.00 19.41 C +ATOM 258 CG TYR A 35 -3.615 13.177 47.276 1.00 24.81 C +ATOM 259 CD1 TYR A 35 -3.967 12.118 46.449 1.00 33.37 C +ATOM 260 CD2 TYR A 35 -2.558 12.982 48.171 1.00 28.71 C +ATOM 261 CE1 TYR A 35 -3.326 10.846 46.558 1.00 39.74 C +ATOM 262 CE2 TYR A 35 -1.933 11.690 48.320 1.00 28.54 C +ATOM 263 CZ TYR A 35 -2.346 10.638 47.517 1.00 36.96 C +ATOM 264 OH TYR A 35 -1.759 9.361 47.542 1.00 42.80 O +ATOM 265 N LYS A 36 -5.441 17.218 45.811 1.00 19.04 N +ATOM 266 CA LYS A 36 -6.317 18.377 45.872 1.00 19.32 C +ATOM 267 C LYS A 36 -7.162 18.480 44.617 1.00 20.25 C +ATOM 268 O LYS A 36 -8.326 18.883 44.693 1.00 19.97 O +ATOM 269 CB LYS A 36 -5.558 19.714 46.072 1.00 20.49 C +ATOM 270 CG LYS A 36 -4.723 19.809 47.316 1.00 20.27 C +ATOM 271 CD LYS A 36 -5.563 19.597 48.615 1.00 23.31 C +ATOM 272 CE LYS A 36 -4.674 19.872 49.804 1.00 23.72 C +ATOM 273 NZ LYS A 36 -5.315 19.385 51.139 1.00 24.20 N +ATOM 274 N LEU A 37 -6.580 18.187 43.447 1.00 19.66 N +ATOM 275 CA LEU A 37 -7.349 18.310 42.213 1.00 21.48 C +ATOM 276 C LEU A 37 -8.433 17.250 42.053 1.00 23.55 C +ATOM 277 O LEU A 37 -9.369 17.457 41.288 1.00 23.04 O +ATOM 278 CB LEU A 37 -6.444 18.287 40.993 1.00 22.02 C +ATOM 279 CG LEU A 37 -5.329 19.331 40.901 1.00 25.31 C +ATOM 280 CD1 LEU A 37 -4.609 19.268 39.533 1.00 26.05 C +ATOM 281 CD2 LEU A 37 -5.892 20.704 41.117 1.00 26.52 C +ATOM 282 N LYS A 38 -8.300 16.117 42.726 1.00 26.01 N +ATOM 283 CA LYS A 38 -9.317 15.072 42.701 1.00 32.48 C +ATOM 284 C LYS A 38 -10.264 15.287 43.917 1.00 34.64 C +ATOM 285 O LYS A 38 -11.165 14.491 44.135 1.00 36.65 O +ATOM 286 CB LYS A 38 -8.699 13.677 42.813 1.00 32.62 C +ATOM 287 CG LYS A 38 -7.581 13.352 41.853 1.00 39.45 C +ATOM 288 CD LYS A 38 -7.715 11.913 41.274 1.00 46.64 C +ATOM 289 CE LYS A 38 -6.367 11.265 41.035 1.00 49.88 C +ATOM 290 NZ LYS A 38 -6.201 9.997 41.851 1.00 56.30 N +ATOM 291 N LEU A 39 -9.994 16.326 44.732 1.00 37.86 N +ATOM 292 CA LEU A 39 -10.773 16.688 45.931 1.00 39.91 C +ATOM 293 C LEU A 39 -10.817 15.582 47.029 1.00 42.18 C +ATOM 294 O LEU A 39 -11.820 15.475 47.797 1.00 39.13 O +ATOM 295 CB LEU A 39 -12.213 17.049 45.566 1.00 41.19 C +ATOM 296 CG LEU A 39 -12.504 18.220 44.646 1.00 43.75 C +ATOM 297 CD1 LEU A 39 -14.034 18.195 44.259 1.00 45.25 C +ATOM 298 CD2 LEU A 39 -12.172 19.523 45.309 1.00 45.45 C +ATOM 299 N GLY A 40 -9.752 14.774 47.079 1.00 44.48 N +ATOM 300 CA GLY A 40 -9.567 13.747 48.095 1.00 47.30 C +ATOM 301 C GLY A 40 -10.330 12.464 47.885 1.00 49.90 C +ATOM 302 O GLY A 40 -10.325 11.613 48.789 1.00 51.21 O +ATOM 303 N GLU A 41 -10.988 12.307 46.726 1.00 52.08 N +ATOM 304 CA GLU A 41 -11.871 11.159 46.495 1.00 54.48 C +ATOM 305 C GLU A 41 -11.006 9.930 46.114 1.00 56.07 C +ATOM 306 O GLU A 41 -10.177 9.995 45.200 1.00 56.05 O +ATOM 307 CB GLU A 41 -12.945 11.458 45.422 1.00 54.58 C +ATOM 308 CG GLU A 41 -14.338 10.903 45.738 1.00 56.57 C +ATOM 309 CD GLU A 41 -15.086 10.311 44.528 1.00 57.79 C +ATOM 310 OE1 GLU A 41 -14.693 10.575 43.368 1.00 58.41 O +ATOM 311 OE2 GLU A 41 -16.097 9.593 44.744 1.00 58.40 O +ATOM 312 N ILE A 42 -11.202 8.832 46.846 1.00 57.64 N +ATOM 313 CA ILE A 42 -10.507 7.572 46.575 1.00 58.96 C +ATOM 314 C ILE A 42 -11.417 6.511 45.947 1.00 58.82 C +ATOM 315 O ILE A 42 -12.652 6.485 46.158 1.00 58.97 O +ATOM 316 CB ILE A 42 -9.851 6.957 47.863 1.00 59.57 C +ATOM 317 CG1 ILE A 42 -10.822 6.973 49.058 1.00 61.46 C +ATOM 318 CG2 ILE A 42 -8.519 7.626 48.196 1.00 60.50 C +ATOM 319 CD1 ILE A 42 -10.522 5.850 50.059 1.00 62.36 C +ATOM 320 N VAL A 43 -10.747 5.633 45.195 1.00 58.78 N +ATOM 321 CA VAL A 43 -11.316 4.402 44.625 1.00 58.73 C +ATOM 322 C VAL A 43 -10.390 3.231 44.921 1.00 57.10 C +ATOM 323 O VAL A 43 -9.165 3.383 45.012 1.00 57.31 O +ATOM 324 CB VAL A 43 -11.439 4.423 43.040 1.00 59.15 C +ATOM 325 CG1 VAL A 43 -12.941 4.471 42.587 1.00 59.64 C +ATOM 326 CG2 VAL A 43 -10.510 5.515 42.388 1.00 59.85 C +ATOM 327 N THR A 44 -10.965 2.047 45.036 1.00 55.93 N +ATOM 328 CA THR A 44 -10.124 0.857 44.892 1.00 54.66 C +ATOM 329 C THR A 44 -10.020 0.574 43.391 1.00 51.59 C +ATOM 330 O THR A 44 -11.039 0.391 42.688 1.00 51.17 O +ATOM 331 CB THR A 44 -10.635 -0.333 45.684 1.00 55.15 C +ATOM 332 OG1 THR A 44 -10.990 0.095 47.010 1.00 56.93 O +ATOM 333 CG2 THR A 44 -9.489 -1.355 45.907 1.00 56.18 C +ATOM 334 N THR A 45 -8.782 0.669 42.921 1.00 48.22 N +ATOM 335 CA THR A 45 -8.414 0.432 41.529 1.00 45.90 C +ATOM 336 C THR A 45 -7.754 -0.954 41.433 1.00 42.45 C +ATOM 337 O THR A 45 -6.957 -1.311 42.289 1.00 40.05 O +ATOM 338 CB THR A 45 -7.456 1.526 41.100 1.00 46.02 C +ATOM 339 OG1 THR A 45 -8.034 2.807 41.428 1.00 47.97 O +ATOM 340 CG2 THR A 45 -7.283 1.573 39.595 1.00 47.69 C +ATOM 341 N ILE A 46 -8.145 -1.747 40.425 1.00 38.57 N +ATOM 342 CA ILE A 46 -7.455 -2.998 40.112 1.00 36.25 C +ATOM 343 C ILE A 46 -5.950 -2.689 39.875 1.00 32.39 C +ATOM 344 O ILE A 46 -5.632 -1.790 39.160 1.00 30.57 O +ATOM 345 CB ILE A 46 -8.095 -3.701 38.845 1.00 36.69 C +ATOM 346 CG1 ILE A 46 -8.198 -2.702 37.652 1.00 38.88 C +ATOM 347 CG2 ILE A 46 -9.457 -4.293 39.249 1.00 38.68 C +ATOM 348 CD1 ILE A 46 -8.088 -3.351 36.198 1.00 41.22 C +ATOM 349 N PRO A 47 -5.048 -3.443 40.478 1.00 29.91 N +ATOM 350 CA PRO A 47 -3.612 -3.171 40.345 1.00 28.30 C +ATOM 351 C PRO A 47 -3.100 -3.487 38.937 1.00 25.04 C +ATOM 352 O PRO A 47 -3.659 -4.346 38.221 1.00 24.67 O +ATOM 353 CB PRO A 47 -2.985 -4.095 41.383 1.00 29.12 C +ATOM 354 CG PRO A 47 -4.144 -4.578 42.260 1.00 31.94 C +ATOM 355 CD PRO A 47 -5.328 -4.635 41.327 1.00 32.10 C +ATOM 356 N THR A 48 -2.051 -2.807 38.555 1.00 21.63 N +ATOM 357 CA THR A 48 -1.368 -3.037 37.300 1.00 21.23 C +ATOM 358 C THR A 48 0.148 -3.016 37.563 1.00 19.03 C +ATOM 359 O THR A 48 0.623 -2.097 38.204 1.00 21.68 O +ATOM 360 CB THR A 48 -1.668 -1.895 36.305 1.00 21.48 C +ATOM 361 OG1 THR A 48 -3.077 -1.736 36.096 1.00 23.55 O +ATOM 362 CG2 THR A 48 -1.119 -2.249 34.969 1.00 20.39 C +ATOM 363 N ILE A 49 0.869 -3.945 36.973 1.00 16.87 N +ATOM 364 CA ILE A 49 2.336 -3.962 37.057 1.00 17.81 C +ATOM 365 C ILE A 49 2.906 -2.862 36.171 1.00 17.71 C +ATOM 366 O ILE A 49 2.596 -2.778 34.933 1.00 19.26 O +ATOM 367 CB ILE A 49 2.906 -5.330 36.624 1.00 15.76 C +ATOM 368 CG1 ILE A 49 2.423 -6.415 37.613 1.00 15.59 C +ATOM 369 CG2 ILE A 49 4.511 -5.307 36.561 1.00 19.45 C +ATOM 370 CD1 ILE A 49 2.723 -6.057 39.045 1.00 18.28 C +ATOM 371 N GLY A 50 3.742 -2.008 36.770 1.00 17.18 N +ATOM 372 CA GLY A 50 4.444 -1.006 36.045 1.00 16.45 C +ATOM 373 C GLY A 50 4.534 0.334 36.726 1.00 16.60 C +ATOM 374 O GLY A 50 4.558 0.427 37.927 1.00 16.33 O +ATOM 375 N PHE A 51 4.531 1.371 35.926 1.00 15.41 N +ATOM 376 CA PHE A 51 4.705 2.726 36.467 1.00 16.39 C +ATOM 377 C PHE A 51 3.454 3.185 37.209 1.00 18.44 C +ATOM 378 O PHE A 51 2.307 2.881 36.833 1.00 17.55 O +ATOM 379 CB PHE A 51 5.065 3.725 35.395 1.00 16.11 C +ATOM 380 CG PHE A 51 6.237 3.363 34.609 1.00 14.89 C +ATOM 381 CD1 PHE A 51 7.496 3.854 34.915 1.00 15.51 C +ATOM 382 CD2 PHE A 51 6.136 2.485 33.546 1.00 17.55 C +ATOM 383 CE1 PHE A 51 8.565 3.463 34.196 1.00 12.15 C +ATOM 384 CE2 PHE A 51 7.259 2.072 32.840 1.00 14.36 C +ATOM 385 CZ PHE A 51 8.479 2.552 33.186 1.00 16.31 C +ATOM 386 N ASN A 52 3.664 3.967 38.275 1.00 19.29 N +ATOM 387 CA ASN A 52 2.542 4.579 38.980 1.00 20.80 C +ATOM 388 C ASN A 52 1.930 5.591 37.990 1.00 21.90 C +ATOM 389 O ASN A 52 2.623 6.320 37.243 1.00 26.28 O +ATOM 390 CB ASN A 52 3.031 5.400 40.103 1.00 24.74 C +ATOM 391 CG ASN A 52 3.534 4.617 41.214 1.00 26.88 C +ATOM 392 OD1 ASN A 52 3.112 3.514 41.419 1.00 35.63 O +ATOM 393 ND2 ASN A 52 4.437 5.218 42.018 1.00 34.15 N +ATOM 394 N VAL A 53 0.662 5.602 37.839 1.00 19.72 N +ATOM 395 CA VAL A 53 0.097 6.588 36.931 1.00 19.63 C +ATOM 396 C VAL A 53 -0.795 7.405 37.816 1.00 20.36 C +ATOM 397 O VAL A 53 -1.641 6.869 38.495 1.00 19.85 O +ATOM 398 CB VAL A 53 -0.757 5.870 35.846 1.00 20.67 C +ATOM 399 CG1 VAL A 53 -1.557 6.916 35.022 1.00 20.80 C +ATOM 400 CG2 VAL A 53 0.114 5.014 34.962 1.00 20.27 C +ATOM 401 N GLU A 54 -0.593 8.700 37.819 1.00 19.02 N +ATOM 402 CA GLU A 54 -1.357 9.612 38.645 1.00 21.88 C +ATOM 403 C GLU A 54 -1.939 10.617 37.673 1.00 21.38 C +ATOM 404 O GLU A 54 -1.212 11.382 37.036 1.00 19.97 O +ATOM 405 CB GLU A 54 -0.459 10.325 39.663 1.00 22.03 C +ATOM 406 CG GLU A 54 0.181 9.488 40.716 1.00 26.73 C +ATOM 407 CD GLU A 54 1.167 10.311 41.566 1.00 30.26 C +ATOM 408 OE1 GLU A 54 2.248 10.612 41.058 1.00 24.68 O +ATOM 409 OE2 GLU A 54 0.844 10.677 42.722 1.00 28.50 O +ATOM 410 N THR A 55 -3.242 10.590 37.517 1.00 21.06 N +ATOM 411 CA THR A 55 -3.902 11.430 36.515 1.00 21.85 C +ATOM 412 C THR A 55 -5.189 11.936 37.111 1.00 23.59 C +ATOM 413 O THR A 55 -5.803 11.254 37.949 1.00 22.91 O +ATOM 414 CB ATHR A 55 -4.115 10.733 35.192 0.50 22.36 C +ATOM 415 CB BTHR A 55 -4.239 10.501 35.276 0.50 22.91 C +ATOM 416 OG1ATHR A 55 -4.613 11.674 34.226 0.50 24.46 O +ATOM 417 OG1BTHR A 55 -3.059 10.245 34.451 0.50 21.75 O +ATOM 418 CG2ATHR A 55 -5.122 9.658 35.297 0.50 17.03 C +ATOM 419 CG2BTHR A 55 -5.234 11.128 34.368 0.50 24.14 C +ATOM 420 N VAL A 56 -5.616 13.089 36.664 1.00 21.92 N +ATOM 421 CA VAL A 56 -6.952 13.593 36.976 1.00 25.47 C +ATOM 422 C VAL A 56 -7.531 14.095 35.687 1.00 24.77 C +ATOM 423 O VAL A 56 -6.863 14.740 34.899 1.00 24.64 O +ATOM 424 CB VAL A 56 -6.988 14.659 38.081 1.00 25.27 C +ATOM 425 CG1 VAL A 56 -6.344 15.891 37.646 1.00 30.64 C +ATOM 426 CG2 VAL A 56 -8.447 15.036 38.381 1.00 29.83 C +ATOM 427 N GLU A 57 -8.761 13.691 35.391 1.00 26.05 N +ATOM 428 CA GLU A 57 -9.427 14.079 34.139 1.00 27.44 C +ATOM 429 C GLU A 57 -10.637 14.932 34.466 1.00 29.25 C +ATOM 430 O GLU A 57 -11.451 14.512 35.231 1.00 29.10 O +ATOM 431 CB GLU A 57 -9.856 12.848 33.303 1.00 29.51 C +ATOM 432 CG GLU A 57 -8.717 11.844 33.044 1.00 35.03 C +ATOM 433 CD GLU A 57 -9.150 10.538 32.324 1.00 39.69 C +ATOM 434 OE1 GLU A 57 -10.273 10.463 31.715 1.00 39.15 O +ATOM 435 OE2 GLU A 57 -8.351 9.564 32.436 1.00 38.59 O +ATOM 436 N TYR A 58 -10.723 16.124 33.915 1.00 31.19 N +ATOM 437 CA TYR A 58 -11.951 16.915 33.955 1.00 34.77 C +ATOM 438 C TYR A 58 -12.676 16.790 32.630 1.00 38.08 C +ATOM 439 O TYR A 58 -13.802 17.263 32.481 1.00 40.68 O +ATOM 440 CB TYR A 58 -11.646 18.358 34.252 1.00 33.75 C +ATOM 441 CG TYR A 58 -10.940 18.580 35.602 1.00 33.22 C +ATOM 442 CD1 TYR A 58 -11.189 17.753 36.720 1.00 31.24 C +ATOM 443 CD2 TYR A 58 -10.037 19.606 35.757 1.00 33.04 C +ATOM 444 CE1 TYR A 58 -10.561 17.970 37.941 1.00 29.90 C +ATOM 445 CE2 TYR A 58 -9.416 19.836 36.987 1.00 34.35 C +ATOM 446 CZ TYR A 58 -9.698 19.015 38.076 1.00 30.80 C +ATOM 447 OH TYR A 58 -9.044 19.265 39.269 1.00 29.00 O +ATOM 448 N LYS A 59 -12.093 16.145 31.625 1.00 39.83 N +ATOM 449 CA LYS A 59 -12.905 16.032 30.429 1.00 41.72 C +ATOM 450 C LYS A 59 -12.879 17.345 29.682 1.00 40.80 C +ATOM 451 O LYS A 59 -13.250 18.399 30.154 1.00 41.83 O +ATOM 452 CB LYS A 59 -14.359 15.725 30.816 1.00 42.41 C +ATOM 453 CG LYS A 59 -14.578 14.625 31.913 1.00 45.63 C +ATOM 454 CD LYS A 59 -15.555 15.009 33.077 1.00 47.12 C +ATOM 455 CE LYS A 59 -14.876 14.800 34.493 1.00 47.74 C +ATOM 456 NZ LYS A 59 -13.911 13.617 34.557 1.00 42.79 N +ATOM 457 N ASN A 60 -12.440 17.244 28.463 1.00 40.59 N +ATOM 458 CA ASN A 60 -11.794 18.328 27.838 1.00 38.86 C +ATOM 459 C ASN A 60 -10.426 18.602 28.484 1.00 34.99 C +ATOM 460 O ASN A 60 -9.649 19.198 27.766 1.00 35.44 O +ATOM 461 CB ASN A 60 -12.630 19.596 27.786 1.00 40.25 C +ATOM 462 CG ASN A 60 -12.601 20.238 26.404 1.00 45.11 C +ATOM 463 OD1 ASN A 60 -11.525 20.400 25.793 1.00 51.04 O +ATOM 464 ND2 ASN A 60 -13.790 20.600 25.886 1.00 48.52 N +ATOM 465 N ILE A 61 -10.110 18.215 29.751 1.00 28.58 N +ATOM 466 CA ILE A 61 -8.678 18.373 30.164 1.00 26.17 C +ATOM 467 C ILE A 61 -8.214 17.332 31.167 1.00 25.69 C +ATOM 468 O ILE A 61 -8.942 16.960 32.074 1.00 25.86 O +ATOM 469 CB ILE A 61 -8.409 19.829 30.636 1.00 25.22 C +ATOM 470 CG1 ILE A 61 -6.914 20.142 30.889 1.00 25.13 C +ATOM 471 CG2 ILE A 61 -9.103 20.087 31.885 1.00 27.26 C +ATOM 472 CD1 ILE A 61 -6.602 21.661 31.022 1.00 28.56 C +ATOM 473 N SER A 62 -6.996 16.844 30.976 1.00 24.83 N +ATOM 474 CA SER A 62 -6.370 15.884 31.868 1.00 24.44 C +ATOM 475 C SER A 62 -5.008 16.374 32.356 1.00 22.60 C +ATOM 476 O SER A 62 -4.341 17.125 31.633 1.00 24.16 O +ATOM 477 CB SER A 62 -6.232 14.542 31.162 1.00 25.41 C +ATOM 478 OG SER A 62 -5.188 14.508 30.176 1.00 28.96 O +ATOM 479 N PHE A 63 -4.655 16.025 33.576 1.00 20.70 N +ATOM 480 CA PHE A 63 -3.387 16.360 34.209 1.00 21.38 C +ATOM 481 C PHE A 63 -2.735 15.048 34.627 1.00 23.07 C +ATOM 482 O PHE A 63 -3.397 14.278 35.384 1.00 23.34 O +ATOM 483 CB PHE A 63 -3.620 17.156 35.470 1.00 21.40 C +ATOM 484 CG PHE A 63 -4.322 18.475 35.230 1.00 21.08 C +ATOM 485 CD1 PHE A 63 -3.572 19.604 35.073 1.00 20.54 C +ATOM 486 CD2 PHE A 63 -5.710 18.557 35.122 1.00 22.39 C +ATOM 487 CE1 PHE A 63 -4.148 20.819 34.902 1.00 22.26 C +ATOM 488 CE2 PHE A 63 -6.313 19.826 34.920 1.00 24.46 C +ATOM 489 CZ PHE A 63 -5.507 20.935 34.777 1.00 21.48 C +ATOM 490 N THR A 64 -1.507 14.817 34.165 1.00 20.85 N +ATOM 491 CA THR A 64 -0.808 13.581 34.409 1.00 20.70 C +ATOM 492 C THR A 64 0.569 13.891 34.938 1.00 19.05 C +ATOM 493 O THR A 64 1.286 14.722 34.318 1.00 17.18 O +ATOM 494 CB THR A 64 -0.711 12.842 33.095 1.00 22.03 C +ATOM 495 OG1 THR A 64 -2.059 12.533 32.642 1.00 27.17 O +ATOM 496 CG2 THR A 64 0.028 11.473 33.298 1.00 25.20 C +ATOM 497 N VAL A 65 0.929 13.237 36.041 1.00 17.44 N +ATOM 498 CA VAL A 65 2.271 13.341 36.564 1.00 19.62 C +ATOM 499 C VAL A 65 3.209 12.560 35.690 1.00 19.59 C +ATOM 500 O VAL A 65 2.984 11.351 35.408 1.00 18.98 O +ATOM 501 CB VAL A 65 2.387 12.837 37.967 1.00 21.03 C +ATOM 502 CG1 VAL A 65 3.922 12.815 38.434 1.00 22.47 C +ATOM 503 CG2 VAL A 65 1.657 13.697 38.841 1.00 25.08 C +ATOM 504 N TRP A 66 4.259 13.194 35.232 1.00 17.96 N +ATOM 505 CA TRP A 66 5.254 12.494 34.438 1.00 18.78 C +ATOM 506 C TRP A 66 6.530 12.398 35.252 1.00 19.47 C +ATOM 507 O TRP A 66 7.192 13.410 35.470 1.00 20.98 O +ATOM 508 CB TRP A 66 5.564 13.282 33.108 1.00 19.11 C +ATOM 509 CG TRP A 66 6.378 12.459 32.158 1.00 18.71 C +ATOM 510 CD1 TRP A 66 7.733 12.406 32.038 1.00 21.28 C +ATOM 511 CD2 TRP A 66 5.865 11.542 31.222 1.00 19.87 C +ATOM 512 NE1 TRP A 66 8.088 11.484 31.097 1.00 21.30 N +ATOM 513 CE2 TRP A 66 6.969 10.936 30.568 1.00 19.63 C +ATOM 514 CE3 TRP A 66 4.605 11.174 30.848 1.00 20.41 C +ATOM 515 CZ2 TRP A 66 6.835 9.992 29.585 1.00 21.15 C +ATOM 516 CZ3 TRP A 66 4.462 10.213 29.860 1.00 21.90 C +ATOM 517 CH2 TRP A 66 5.587 9.627 29.235 1.00 18.82 C +ATOM 518 N ASP A 67 6.967 11.193 35.600 1.00 18.65 N +ATOM 519 CA ASP A 67 8.126 10.906 36.445 1.00 16.36 C +ATOM 520 C ASP A 67 9.357 10.994 35.565 1.00 18.35 C +ATOM 521 O ASP A 67 9.473 10.262 34.544 1.00 19.50 O +ATOM 522 CB ASP A 67 7.877 9.467 36.965 1.00 19.44 C +ATOM 523 CG ASP A 67 8.898 8.959 37.990 1.00 18.34 C +ATOM 524 OD1 ASP A 67 10.021 9.515 38.049 1.00 21.34 O +ATOM 525 OD2 ASP A 67 8.597 7.877 38.654 1.00 19.32 O +ATOM 526 N VAL A 68 10.284 11.891 35.890 1.00 17.80 N +ATOM 527 CA VAL A 68 11.430 12.051 35.046 1.00 20.22 C +ATOM 528 C VAL A 68 12.630 11.218 35.563 1.00 21.13 C +ATOM 529 O VAL A 68 13.745 11.418 35.138 1.00 22.32 O +ATOM 530 CB VAL A 68 11.821 13.490 34.903 1.00 19.86 C +ATOM 531 CG1 VAL A 68 10.823 14.274 34.080 1.00 22.42 C +ATOM 532 CG2 VAL A 68 12.071 14.172 36.312 1.00 23.91 C +ATOM 533 N GLY A 69 12.425 10.358 36.513 1.00 22.35 N +ATOM 534 CA GLY A 69 13.543 9.612 37.066 1.00 23.80 C +ATOM 535 C GLY A 69 14.120 8.617 36.086 1.00 24.28 C +ATOM 536 O GLY A 69 13.535 8.297 35.036 1.00 25.65 O +ATOM 537 N GLY A 70 15.306 8.141 36.384 1.00 24.69 N +ATOM 538 CA GLY A 70 15.922 7.168 35.506 1.00 25.22 C +ATOM 539 C GLY A 70 17.015 7.761 34.608 1.00 25.46 C +ATOM 540 O GLY A 70 17.310 8.945 34.664 1.00 26.25 O +ATOM 541 N GLN A 71 17.608 6.918 33.791 1.00 25.01 N +ATOM 542 CA GLN A 71 18.719 7.313 32.933 1.00 26.23 C +ATOM 543 C GLN A 71 18.248 7.984 31.656 1.00 26.13 C +ATOM 544 O GLN A 71 17.082 7.849 31.209 1.00 24.84 O +ATOM 545 CB GLN A 71 19.526 6.081 32.556 1.00 26.89 C +ATOM 546 CG GLN A 71 20.134 5.376 33.692 1.00 29.25 C +ATOM 547 CD GLN A 71 20.665 4.029 33.253 1.00 38.53 C +ATOM 548 OE1 GLN A 71 20.285 2.998 33.846 1.00 41.46 O +ATOM 549 NE2 GLN A 71 21.533 4.015 32.181 1.00 36.20 N +ATOM 550 N ASP A 72 19.183 8.633 30.971 1.00 24.11 N +ATOM 551 CA ASP A 72 18.845 9.332 29.746 1.00 25.81 C +ATOM 552 C ASP A 72 18.513 8.460 28.532 1.00 23.65 C +ATOM 553 O ASP A 72 17.724 8.873 27.667 1.00 22.99 O +ATOM 554 CB ASP A 72 19.953 10.357 29.434 1.00 28.48 C +ATOM 555 CG ASP A 72 19.813 11.550 30.350 1.00 33.79 C +ATOM 556 OD1 ASP A 72 20.778 11.875 31.048 1.00 44.95 O +ATOM 557 OD2 ASP A 72 18.714 12.172 30.475 1.00 46.95 O +ATOM 558 N LYS A 73 18.980 7.236 28.572 1.00 22.27 N +ATOM 559 CA LYS A 73 18.814 6.276 27.486 1.00 23.02 C +ATOM 560 C LYS A 73 17.335 5.921 27.248 1.00 21.94 C +ATOM 561 O LYS A 73 16.999 5.369 26.152 1.00 20.49 O +ATOM 562 CB LYS A 73 19.583 4.937 27.759 1.00 22.38 C +ATOM 563 CG LYS A 73 21.082 4.882 27.425 1.00 25.62 C +ATOM 564 CD LYS A 73 21.861 3.734 28.060 1.00 22.28 C +ATOM 565 CE LYS A 73 23.377 4.053 28.000 1.00 29.39 C +ATOM 566 NZ LYS A 73 24.304 3.065 28.584 1.00 29.14 N +ATOM 567 N ILE A 74 16.470 6.077 28.259 1.00 21.69 N +ATOM 568 CA ILE A 74 15.062 5.732 28.041 1.00 20.23 C +ATOM 569 C ILE A 74 14.238 6.915 27.543 1.00 20.98 C +ATOM 570 O ILE A 74 13.084 6.759 27.075 1.00 18.58 O +ATOM 571 CB ILE A 74 14.428 4.947 29.262 1.00 20.78 C +ATOM 572 CG1 ILE A 74 14.654 5.614 30.588 1.00 24.87 C +ATOM 573 CG2 ILE A 74 15.127 3.559 29.424 1.00 19.29 C +ATOM 574 CD1 ILE A 74 13.774 6.718 30.854 1.00 28.43 C +ATOM 575 N ARG A 75 14.820 8.117 27.549 1.00 19.51 N +ATOM 576 CA ARG A 75 14.019 9.285 27.231 1.00 22.13 C +ATOM 577 C ARG A 75 13.510 9.343 25.795 1.00 22.62 C +ATOM 578 O ARG A 75 12.463 9.975 25.594 1.00 22.11 O +ATOM 579 CB ARG A 75 14.709 10.603 27.583 1.00 24.67 C +ATOM 580 CG ARG A 75 15.033 10.778 29.036 1.00 26.91 C +ATOM 581 CD ARG A 75 15.448 12.208 29.357 1.00 36.45 C +ATOM 582 NE ARG A 75 15.393 12.370 30.802 1.00 39.35 N +ATOM 583 CZ ARG A 75 15.046 13.460 31.427 1.00 39.65 C +ATOM 584 NH1 ARG A 75 14.747 14.584 30.747 1.00 39.58 N +ATOM 585 NH2 ARG A 75 15.035 13.427 32.751 1.00 36.71 N +ATOM 586 N PRO A 76 14.200 8.779 24.802 1.00 22.96 N +ATOM 587 CA PRO A 76 13.607 8.703 23.458 1.00 23.18 C +ATOM 588 C PRO A 76 12.222 8.063 23.437 1.00 22.99 C +ATOM 589 O PRO A 76 11.395 8.430 22.600 1.00 21.97 O +ATOM 590 CB PRO A 76 14.590 7.833 22.668 1.00 24.55 C +ATOM 591 CG PRO A 76 15.957 8.027 23.337 1.00 24.53 C +ATOM 592 CD PRO A 76 15.599 8.299 24.805 1.00 24.07 C +ATOM 593 N LEU A 77 11.959 7.138 24.373 1.00 21.35 N +ATOM 594 CA LEU A 77 10.693 6.455 24.425 1.00 19.83 C +ATOM 595 C LEU A 77 9.505 7.364 24.796 1.00 21.13 C +ATOM 596 O LEU A 77 8.379 6.979 24.599 1.00 22.06 O +ATOM 597 CB LEU A 77 10.763 5.277 25.421 1.00 19.60 C +ATOM 598 CG LEU A 77 11.761 4.129 25.145 1.00 16.31 C +ATOM 599 CD1 LEU A 77 11.789 3.138 26.336 1.00 16.01 C +ATOM 600 CD2 LEU A 77 11.475 3.372 23.957 1.00 18.30 C +ATOM 601 N TRP A 78 9.775 8.492 25.382 1.00 21.49 N +ATOM 602 CA TRP A 78 8.746 9.401 25.906 1.00 24.39 C +ATOM 603 C TRP A 78 8.111 10.223 24.805 1.00 25.96 C +ATOM 604 O TRP A 78 7.134 10.902 25.011 1.00 26.11 O +ATOM 605 CB TRP A 78 9.403 10.410 26.767 1.00 24.40 C +ATOM 606 CG TRP A 78 10.037 9.938 27.977 1.00 24.71 C +ATOM 607 CD1 TRP A 78 10.011 8.648 28.465 1.00 22.84 C +ATOM 608 CD2 TRP A 78 10.695 10.720 28.940 1.00 23.02 C +ATOM 609 NE1 TRP A 78 10.690 8.594 29.637 1.00 20.67 N +ATOM 610 CE2 TRP A 78 11.061 9.847 30.009 1.00 23.67 C +ATOM 611 CE3 TRP A 78 10.978 12.073 29.070 1.00 28.25 C +ATOM 612 CZ2 TRP A 78 11.757 10.273 31.130 1.00 24.50 C +ATOM 613 CZ3 TRP A 78 11.667 12.514 30.200 1.00 25.57 C +ATOM 614 CH2 TRP A 78 12.053 11.614 31.223 1.00 24.92 C +ATOM 615 N ARG A 79 8.761 10.243 23.653 1.00 27.54 N +ATOM 616 CA ARG A 79 8.503 11.274 22.666 1.00 29.82 C +ATOM 617 C ARG A 79 7.023 11.327 22.229 1.00 29.79 C +ATOM 618 O ARG A 79 6.469 12.426 22.198 1.00 29.29 O +ATOM 619 CB ARG A 79 9.489 11.146 21.472 1.00 30.93 C +ATOM 620 CG ARG A 79 10.788 11.983 21.716 1.00 35.74 C +ATOM 621 CD ARG A 79 11.919 11.784 20.660 1.00 42.70 C +ATOM 622 NE ARG A 79 11.952 10.373 20.243 1.00 48.60 N +ATOM 623 CZ ARG A 79 12.972 9.778 19.644 1.00 52.07 C +ATOM 624 NH1 ARG A 79 14.097 10.460 19.330 1.00 52.02 N +ATOM 625 NH2 ARG A 79 12.851 8.489 19.348 1.00 51.27 N +ATOM 626 N HIS A 80 6.381 10.199 21.929 1.00 30.43 N +ATOM 627 CA HIS A 80 4.984 10.266 21.443 1.00 32.93 C +ATOM 628 C HIS A 80 3.988 10.795 22.514 1.00 31.72 C +ATOM 629 O HIS A 80 2.919 11.363 22.172 1.00 31.74 O +ATOM 630 CB HIS A 80 4.488 8.970 20.774 1.00 34.94 C +ATOM 631 CG HIS A 80 3.719 8.033 21.668 1.00 40.92 C +ATOM 632 ND1 HIS A 80 2.345 8.107 21.841 1.00 47.16 N +ATOM 633 CD2 HIS A 80 4.131 6.960 22.392 1.00 46.48 C +ATOM 634 CE1 HIS A 80 1.962 7.155 22.674 1.00 48.87 C +ATOM 635 NE2 HIS A 80 3.024 6.445 23.022 1.00 48.76 N +ATOM 636 N TYR A 81 4.324 10.596 23.788 1.00 29.02 N +ATOM 637 CA TYR A 81 3.479 11.090 24.846 1.00 28.23 C +ATOM 638 C TYR A 81 3.613 12.608 24.973 1.00 28.62 C +ATOM 639 O TYR A 81 2.752 13.259 25.526 1.00 29.04 O +ATOM 640 CB TYR A 81 3.855 10.448 26.180 1.00 27.20 C +ATOM 641 CG TYR A 81 3.511 8.955 26.241 1.00 28.01 C +ATOM 642 CD1 TYR A 81 2.222 8.541 26.478 1.00 26.78 C +ATOM 643 CD2 TYR A 81 4.472 7.988 26.080 1.00 21.96 C +ATOM 644 CE1 TYR A 81 1.883 7.166 26.527 1.00 23.04 C +ATOM 645 CE2 TYR A 81 4.163 6.666 26.170 1.00 25.15 C +ATOM 646 CZ TYR A 81 2.848 6.251 26.408 1.00 23.30 C +ATOM 647 OH TYR A 81 2.586 4.904 26.468 1.00 23.20 O +ATOM 648 N PHE A 82 4.728 13.171 24.550 1.00 29.50 N +ATOM 649 CA PHE A 82 4.906 14.628 24.648 1.00 31.81 C +ATOM 650 C PHE A 82 4.233 15.286 23.435 1.00 33.73 C +ATOM 651 O PHE A 82 4.007 16.496 23.404 1.00 33.00 O +ATOM 652 CB PHE A 82 6.382 14.993 24.719 1.00 31.51 C +ATOM 653 CG PHE A 82 7.058 14.619 25.988 1.00 30.88 C +ATOM 654 CD1 PHE A 82 6.372 14.061 27.065 1.00 30.92 C +ATOM 655 CD2 PHE A 82 8.367 14.858 26.136 1.00 35.59 C +ATOM 656 CE1 PHE A 82 7.050 13.738 28.239 1.00 27.88 C +ATOM 657 CE2 PHE A 82 9.030 14.558 27.298 1.00 37.27 C +ATOM 658 CZ PHE A 82 8.290 13.986 28.388 1.00 34.66 C +ATOM 659 N GLN A 83 3.829 14.469 22.476 1.00 37.39 N +ATOM 660 CA GLN A 83 3.201 14.984 21.279 1.00 39.06 C +ATOM 661 C GLN A 83 1.872 15.647 21.520 1.00 39.25 C +ATOM 662 O GLN A 83 1.568 16.606 20.878 1.00 41.28 O +ATOM 663 CB GLN A 83 2.999 13.910 20.203 1.00 40.70 C +ATOM 664 CG GLN A 83 4.218 13.689 19.338 1.00 42.76 C +ATOM 665 CD GLN A 83 3.989 12.595 18.294 1.00 45.89 C +ATOM 666 OE1 GLN A 83 2.843 12.287 17.926 1.00 46.61 O +ATOM 667 NE2 GLN A 83 5.077 12.007 17.835 1.00 46.93 N +ATOM 668 N ASN A 84 0.970 15.236 22.339 1.00 38.11 N +ATOM 669 CA ASN A 84 -0.184 16.144 22.167 1.00 39.45 C +ATOM 670 C ASN A 84 -0.375 16.918 23.453 1.00 36.30 C +ATOM 671 O ASN A 84 -1.380 16.745 24.085 1.00 36.21 O +ATOM 672 CB ASN A 84 -1.476 15.386 21.734 1.00 40.84 C +ATOM 673 CG ASN A 84 -2.690 16.297 21.651 1.00 44.24 C +ATOM 674 OD1 ASN A 84 -3.758 15.996 22.209 1.00 52.23 O +ATOM 675 ND2 ASN A 84 -2.540 17.416 20.959 1.00 50.51 N +ATOM 676 N THR A 85 0.588 17.784 23.808 1.00 34.56 N +ATOM 677 CA THR A 85 0.635 18.388 25.151 1.00 30.79 C +ATOM 678 C THR A 85 0.528 19.857 25.020 1.00 28.57 C +ATOM 679 O THR A 85 1.347 20.483 24.333 1.00 28.13 O +ATOM 680 CB THR A 85 1.963 18.053 25.802 1.00 31.79 C +ATOM 681 OG1 THR A 85 2.122 16.662 25.778 1.00 34.27 O +ATOM 682 CG2 THR A 85 1.966 18.430 27.280 1.00 27.19 C +ATOM 683 N GLN A 86 -0.491 20.439 25.640 1.00 23.55 N +ATOM 684 CA GLN A 86 -0.669 21.853 25.508 1.00 24.18 C +ATOM 685 C GLN A 86 0.005 22.602 26.657 1.00 20.31 C +ATOM 686 O GLN A 86 0.178 23.800 26.543 1.00 19.85 O +ATOM 687 CB GLN A 86 -2.158 22.211 25.428 1.00 25.18 C +ATOM 688 CG GLN A 86 -2.801 21.818 24.057 1.00 27.62 C +ATOM 689 CD GLN A 86 -2.899 20.328 23.906 1.00 31.40 C +ATOM 690 OE1 GLN A 86 -3.356 19.652 24.803 1.00 31.96 O +ATOM 691 NE2 GLN A 86 -2.451 19.809 22.788 1.00 34.73 N +ATOM 692 N GLY A 87 0.297 21.914 27.743 1.00 19.51 N +ATOM 693 CA GLY A 87 0.856 22.597 28.938 1.00 20.90 C +ATOM 694 C GLY A 87 1.693 21.694 29.793 1.00 19.47 C +ATOM 695 O GLY A 87 1.560 20.429 29.829 1.00 18.48 O +ATOM 696 N LEU A 88 2.643 22.318 30.475 1.00 17.93 N +ATOM 697 CA LEU A 88 3.524 21.656 31.376 1.00 17.64 C +ATOM 698 C LEU A 88 3.452 22.418 32.711 1.00 18.53 C +ATOM 699 O LEU A 88 3.572 23.660 32.727 1.00 18.31 O +ATOM 700 CB LEU A 88 4.978 21.795 30.833 1.00 18.23 C +ATOM 701 CG LEU A 88 6.071 21.186 31.681 1.00 24.17 C +ATOM 702 CD1 LEU A 88 5.872 19.676 31.828 1.00 28.63 C +ATOM 703 CD2 LEU A 88 7.524 21.424 31.112 1.00 27.23 C +ATOM 704 N ILE A 89 3.206 21.710 33.782 1.00 17.02 N +ATOM 705 CA ILE A 89 3.242 22.268 35.087 1.00 17.37 C +ATOM 706 C ILE A 89 4.545 21.748 35.725 1.00 17.64 C +ATOM 707 O ILE A 89 4.785 20.533 35.848 1.00 18.98 O +ATOM 708 CB ILE A 89 2.012 21.869 35.901 1.00 17.92 C +ATOM 709 CG1 ILE A 89 0.739 22.468 35.341 1.00 18.34 C +ATOM 710 CG2 ILE A 89 2.209 22.282 37.360 1.00 20.06 C +ATOM 711 CD1 ILE A 89 -0.587 22.028 36.053 1.00 21.43 C +ATOM 712 N PHE A 90 5.386 22.657 36.185 1.00 16.26 N +ATOM 713 CA PHE A 90 6.656 22.283 36.800 1.00 16.20 C +ATOM 714 C PHE A 90 6.510 22.625 38.238 1.00 16.46 C +ATOM 715 O PHE A 90 6.282 23.791 38.555 1.00 17.14 O +ATOM 716 CB PHE A 90 7.831 23.051 36.204 1.00 17.88 C +ATOM 717 CG PHE A 90 9.149 22.516 36.688 1.00 19.22 C +ATOM 718 CD1 PHE A 90 9.674 21.345 36.137 1.00 21.27 C +ATOM 719 CD2 PHE A 90 9.766 23.073 37.691 1.00 22.88 C +ATOM 720 CE1 PHE A 90 10.878 20.778 36.600 1.00 22.65 C +ATOM 721 CE2 PHE A 90 10.958 22.489 38.181 1.00 25.96 C +ATOM 722 CZ PHE A 90 11.481 21.318 37.607 1.00 24.83 C +ATOM 723 N VAL A 91 6.659 21.660 39.135 1.00 16.01 N +ATOM 724 CA VAL A 91 6.478 21.907 40.549 1.00 15.92 C +ATOM 725 C VAL A 91 7.859 21.857 41.209 1.00 16.19 C +ATOM 726 O VAL A 91 8.671 20.956 40.951 1.00 16.10 O +ATOM 727 CB VAL A 91 5.577 20.801 41.177 1.00 15.93 C +ATOM 728 CG1 VAL A 91 5.362 21.073 42.641 1.00 18.79 C +ATOM 729 CG2 VAL A 91 4.227 20.700 40.350 1.00 16.10 C +ATOM 730 N VAL A 92 8.151 22.830 42.035 1.00 17.55 N +ATOM 731 CA VAL A 92 9.461 22.906 42.706 1.00 17.66 C +ATOM 732 C VAL A 92 9.253 23.068 44.208 1.00 17.61 C +ATOM 733 O VAL A 92 8.384 23.792 44.657 1.00 18.62 O +ATOM 734 CB VAL A 92 10.357 24.017 42.083 1.00 20.19 C +ATOM 735 CG1 VAL A 92 9.745 25.336 42.266 1.00 23.84 C +ATOM 736 CG2 VAL A 92 11.793 24.002 42.692 1.00 23.25 C +ATOM 737 N ASP A 93 10.068 22.392 44.990 1.00 19.40 N +ATOM 738 CA ASP A 93 10.125 22.561 46.432 1.00 16.95 C +ATOM 739 C ASP A 93 10.929 23.832 46.738 1.00 17.69 C +ATOM 740 O ASP A 93 12.162 23.895 46.619 1.00 15.96 O +ATOM 741 CB ASP A 93 10.703 21.318 47.091 1.00 17.97 C +ATOM 742 CG ASP A 93 10.829 21.459 48.596 1.00 17.55 C +ATOM 743 OD1 ASP A 93 10.651 22.615 49.108 1.00 20.64 O +ATOM 744 OD2 ASP A 93 11.041 20.461 49.373 1.00 22.27 O +ATOM 745 N SER A 94 10.213 24.891 47.054 1.00 16.92 N +ATOM 746 CA SER A 94 10.872 26.165 47.181 1.00 20.14 C +ATOM 747 C SER A 94 11.727 26.278 48.432 1.00 19.81 C +ATOM 748 O SER A 94 12.395 27.293 48.581 1.00 19.80 O +ATOM 749 CB SER A 94 9.861 27.304 47.228 1.00 20.31 C +ATOM 750 OG SER A 94 8.940 27.267 46.166 1.00 22.10 O +ATOM 751 N ASN A 95 11.622 25.312 49.363 1.00 20.96 N +ATOM 752 CA ASN A 95 12.433 25.301 50.570 1.00 21.64 C +ATOM 753 C ASN A 95 13.759 24.549 50.314 1.00 23.02 C +ATOM 754 O ASN A 95 14.719 24.648 51.110 1.00 24.38 O +ATOM 755 CB ASN A 95 11.658 24.632 51.722 1.00 21.87 C +ATOM 756 CG ASN A 95 12.399 24.658 53.031 1.00 21.06 C +ATOM 757 OD1 ASN A 95 12.628 23.594 53.679 1.00 25.93 O +ATOM 758 ND2 ASN A 95 12.677 25.829 53.494 1.00 13.79 N +ATOM 759 N ASP A 96 13.854 23.830 49.189 1.00 23.24 N +ATOM 760 CA ASP A 96 15.003 22.962 48.953 1.00 25.61 C +ATOM 761 C ASP A 96 16.056 23.725 48.168 1.00 24.51 C +ATOM 762 O ASP A 96 16.194 23.619 46.946 1.00 24.29 O +ATOM 763 CB ASP A 96 14.566 21.662 48.263 1.00 24.71 C +ATOM 764 CG ASP A 96 15.589 20.562 48.389 1.00 30.09 C +ATOM 765 OD1 ASP A 96 16.778 20.875 48.606 1.00 30.29 O +ATOM 766 OD2 ASP A 96 15.303 19.357 48.248 1.00 31.96 O +ATOM 767 N ARG A 97 16.820 24.500 48.881 1.00 24.81 N +ATOM 768 CA ARG A 97 17.796 25.344 48.255 1.00 27.26 C +ATOM 769 C ARG A 97 18.929 24.529 47.648 1.00 28.51 C +ATOM 770 O ARG A 97 19.465 24.957 46.628 1.00 29.16 O +ATOM 771 CB ARG A 97 18.300 26.385 49.254 1.00 28.09 C +ATOM 772 CG ARG A 97 17.262 27.463 49.511 1.00 28.45 C +ATOM 773 CD ARG A 97 17.597 28.318 50.793 1.00 33.98 C +ATOM 774 NE ARG A 97 16.485 29.206 51.143 1.00 28.67 N +ATOM 775 CZ ARG A 97 16.319 30.363 50.616 1.00 28.16 C +ATOM 776 NH1 ARG A 97 17.166 30.815 49.673 1.00 30.70 N +ATOM 777 NH2 ARG A 97 15.297 31.108 50.973 1.00 29.94 N +ATOM 778 N GLU A 98 19.229 23.341 48.198 1.00 28.72 N +ATOM 779 CA GLU A 98 20.315 22.491 47.659 1.00 29.74 C +ATOM 780 C GLU A 98 19.989 21.810 46.360 1.00 28.27 C +ATOM 781 O GLU A 98 20.900 21.340 45.671 1.00 26.30 O +ATOM 782 CB GLU A 98 20.729 21.357 48.636 1.00 31.94 C +ATOM 783 CG GLU A 98 21.438 21.818 49.920 1.00 37.47 C +ATOM 784 CD GLU A 98 20.689 22.908 50.659 1.00 44.31 C +ATOM 785 OE1 GLU A 98 19.446 22.702 50.918 1.00 50.61 O +ATOM 786 OE2 GLU A 98 21.329 23.972 50.952 1.00 48.07 O +ATOM 787 N ARG A 99 18.691 21.690 46.010 1.00 25.72 N +ATOM 788 CA ARG A 99 18.359 20.988 44.802 1.00 25.01 C +ATOM 789 C ARG A 99 17.739 21.937 43.765 1.00 24.14 C +ATOM 790 O ARG A 99 17.306 21.472 42.726 1.00 21.33 O +ATOM 791 CB ARG A 99 17.423 19.807 45.072 1.00 26.26 C +ATOM 792 CG ARG A 99 18.026 18.551 45.785 1.00 30.03 C +ATOM 793 CD ARG A 99 16.915 17.636 46.383 1.00 37.83 C +ATOM 794 NE ARG A 99 16.427 16.558 45.524 1.00 40.30 N +ATOM 795 CZ ARG A 99 15.165 16.032 45.572 1.00 44.19 C +ATOM 796 NH1 ARG A 99 14.246 16.461 46.418 1.00 43.76 N +ATOM 797 NH2 ARG A 99 14.820 15.046 44.777 1.00 46.78 N +ATOM 798 N VAL A 100 17.727 23.230 44.021 1.00 24.20 N +ATOM 799 CA VAL A 100 17.077 24.141 43.042 1.00 24.06 C +ATOM 800 C VAL A 100 17.773 24.154 41.681 1.00 23.44 C +ATOM 801 O VAL A 100 17.104 24.273 40.646 1.00 21.48 O +ATOM 802 CB VAL A 100 16.878 25.575 43.603 1.00 25.15 C +ATOM 803 CG1 VAL A 100 18.200 26.361 43.728 1.00 29.34 C +ATOM 804 CG2 VAL A 100 15.741 26.342 42.800 1.00 26.40 C +ATOM 805 N ASN A 101 19.111 24.008 41.654 1.00 21.67 N +ATOM 806 CA ASN A 101 19.799 23.923 40.370 1.00 22.70 C +ATOM 807 C ASN A 101 19.492 22.636 39.657 1.00 22.14 C +ATOM 808 O ASN A 101 19.265 22.666 38.443 1.00 21.96 O +ATOM 809 CB ASN A 101 21.328 24.217 40.440 1.00 24.03 C +ATOM 810 CG ASN A 101 21.915 24.437 39.020 1.00 30.66 C +ATOM 811 OD1 ASN A 101 22.639 23.564 38.514 1.00 39.26 O +ATOM 812 ND2 ASN A 101 21.533 25.568 38.361 1.00 27.91 N +ATOM 813 N GLU A 102 19.330 21.523 40.387 1.00 21.50 N +ATOM 814 CA GLU A 102 18.889 20.263 39.794 1.00 22.70 C +ATOM 815 C GLU A 102 17.480 20.382 39.189 1.00 21.12 C +ATOM 816 O GLU A 102 17.214 19.896 38.072 1.00 21.73 O +ATOM 817 CB GLU A 102 18.926 19.106 40.802 1.00 24.04 C +ATOM 818 CG GLU A 102 18.516 17.750 40.245 1.00 28.13 C +ATOM 819 CD GLU A 102 18.443 16.654 41.303 1.00 31.50 C +ATOM 820 OE1 GLU A 102 18.918 16.883 42.441 1.00 36.67 O +ATOM 821 OE2 GLU A 102 17.865 15.594 40.977 1.00 33.62 O +ATOM 822 N ALA A 103 16.604 21.110 39.877 1.00 20.08 N +ATOM 823 CA ALA A 103 15.278 21.375 39.320 1.00 19.19 C +ATOM 824 C ALA A 103 15.394 22.225 38.044 1.00 17.67 C +ATOM 825 O ALA A 103 14.763 21.935 37.013 1.00 19.47 O +ATOM 826 CB ALA A 103 14.369 22.093 40.405 1.00 19.66 C +ATOM 827 N ARG A 104 16.195 23.279 38.079 1.00 19.86 N +ATOM 828 CA ARG A 104 16.390 24.074 36.874 1.00 19.59 C +ATOM 829 C ARG A 104 16.850 23.271 35.710 1.00 19.06 C +ATOM 830 O ARG A 104 16.346 23.424 34.607 1.00 18.72 O +ATOM 831 CB ARG A 104 17.428 25.169 37.097 1.00 19.64 C +ATOM 832 CG ARG A 104 17.722 26.081 35.931 1.00 23.28 C +ATOM 833 CD ARG A 104 18.939 27.037 36.193 1.00 29.09 C +ATOM 834 NE ARG A 104 19.347 27.276 34.853 1.00 42.13 N +ATOM 835 CZ ARG A 104 20.334 26.678 34.247 1.00 39.94 C +ATOM 836 NH1 ARG A 104 21.207 25.914 34.891 1.00 43.27 N +ATOM 837 NH2 ARG A 104 20.476 26.940 32.975 1.00 49.47 N +ATOM 838 N GLU A 105 17.804 22.388 35.911 1.00 20.61 N +ATOM 839 CA GLU A 105 18.258 21.528 34.799 1.00 23.55 C +ATOM 840 C GLU A 105 17.209 20.530 34.250 1.00 24.03 C +ATOM 841 O GLU A 105 17.075 20.313 33.055 1.00 23.07 O +ATOM 842 CB GLU A 105 19.540 20.824 35.248 1.00 25.23 C +ATOM 843 CG GLU A 105 20.699 21.806 35.410 1.00 28.75 C +ATOM 844 CD GLU A 105 22.081 21.126 35.433 1.00 38.78 C +ATOM 845 OE1 GLU A 105 22.167 19.970 34.979 1.00 42.76 O +ATOM 846 OE2 GLU A 105 23.059 21.744 35.941 1.00 39.20 O +ATOM 847 N GLU A 106 16.406 19.964 35.125 1.00 23.10 N +ATOM 848 CA GLU A 106 15.316 19.147 34.672 1.00 23.98 C +ATOM 849 C GLU A 106 14.295 19.935 33.842 1.00 21.62 C +ATOM 850 O GLU A 106 13.871 19.474 32.792 1.00 22.78 O +ATOM 851 CB GLU A 106 14.583 18.492 35.818 1.00 25.14 C +ATOM 852 CG GLU A 106 13.525 17.494 35.248 1.00 29.88 C +ATOM 853 CD GLU A 106 14.121 16.481 34.189 1.00 36.89 C +ATOM 854 OE1 GLU A 106 13.636 16.499 32.952 1.00 35.92 O +ATOM 855 OE2 GLU A 106 15.109 15.715 34.570 1.00 25.79 O +ATOM 856 N LEU A 107 13.888 21.090 34.329 1.00 19.94 N +ATOM 857 CA LEU A 107 13.018 21.982 33.565 1.00 19.86 C +ATOM 858 C LEU A 107 13.600 22.299 32.244 1.00 22.13 C +ATOM 859 O LEU A 107 12.920 22.209 31.206 1.00 20.95 O +ATOM 860 CB LEU A 107 12.681 23.236 34.345 1.00 18.80 C +ATOM 861 CG LEU A 107 11.877 24.349 33.639 1.00 19.57 C +ATOM 862 CD1 LEU A 107 10.550 23.807 33.224 1.00 20.35 C +ATOM 863 CD2 LEU A 107 11.675 25.530 34.494 1.00 25.10 C +ATOM 864 N MET A 108 14.859 22.694 32.222 1.00 21.40 N +ATOM 865 CA MET A 108 15.450 23.074 30.957 1.00 24.60 C +ATOM 866 C MET A 108 15.543 21.937 29.919 1.00 25.65 C +ATOM 867 O MET A 108 15.373 22.174 28.752 1.00 26.50 O +ATOM 868 CB MET A 108 16.810 23.769 31.132 1.00 25.01 C +ATOM 869 CG MET A 108 16.716 25.150 31.744 1.00 31.00 C +ATOM 870 SD MET A 108 15.428 26.254 31.059 1.00 35.85 S +ATOM 871 CE MET A 108 15.365 27.471 32.286 1.00 44.47 C +ATOM 872 N ARG A 109 15.765 20.709 30.349 1.00 27.00 N +ATOM 873 CA ARG A 109 15.733 19.565 29.476 1.00 29.95 C +ATOM 874 C ARG A 109 14.333 19.225 28.977 1.00 30.71 C +ATOM 875 O ARG A 109 14.192 18.885 27.819 1.00 33.91 O +ATOM 876 CB ARG A 109 16.274 18.339 30.196 1.00 32.65 C +ATOM 877 CG ARG A 109 17.793 18.285 30.359 1.00 36.37 C +ATOM 878 CD ARG A 109 18.268 16.836 30.601 1.00 45.75 C +ATOM 879 NE ARG A 109 17.912 16.401 31.940 1.00 52.60 N +ATOM 880 CZ ARG A 109 18.330 15.271 32.504 1.00 58.32 C +ATOM 881 NH1 ARG A 109 19.073 14.400 31.810 1.00 57.65 N +ATOM 882 NH2 ARG A 109 17.980 14.999 33.761 1.00 59.67 N +ATOM 883 N MET A 110 13.302 19.325 29.812 1.00 28.49 N +ATOM 884 CA MET A 110 11.923 19.126 29.335 1.00 28.80 C +ATOM 885 C MET A 110 11.627 20.221 28.252 1.00 27.85 C +ATOM 886 O MET A 110 10.999 19.936 27.229 1.00 29.75 O +ATOM 887 CB MET A 110 10.915 19.300 30.451 1.00 28.59 C +ATOM 888 CG MET A 110 10.784 18.170 31.525 1.00 33.81 C +ATOM 889 SD MET A 110 10.173 16.662 30.836 1.00 38.03 S +ATOM 890 CE MET A 110 8.858 17.179 30.130 1.00 37.76 C +ATOM 891 N LEU A 111 12.052 21.469 28.496 1.00 26.16 N +ATOM 892 CA LEU A 111 11.760 22.582 27.576 1.00 24.95 C +ATOM 893 C LEU A 111 12.613 22.525 26.281 1.00 28.81 C +ATOM 894 O LEU A 111 12.314 23.234 25.337 1.00 28.00 O +ATOM 895 CB LEU A 111 11.941 23.928 28.223 1.00 24.83 C +ATOM 896 CG LEU A 111 11.054 24.333 29.428 1.00 22.37 C +ATOM 897 CD1 LEU A 111 11.349 25.698 29.890 1.00 24.88 C +ATOM 898 CD2 LEU A 111 9.589 24.237 29.086 1.00 26.84 C +ATOM 899 N ALA A 112 13.665 21.721 26.251 1.00 29.63 N +ATOM 900 CA ALA A 112 14.304 21.413 24.958 1.00 32.27 C +ATOM 901 C ALA A 112 13.649 20.204 24.208 1.00 33.20 C +ATOM 902 O ALA A 112 13.968 19.893 23.052 1.00 33.57 O +ATOM 903 CB ALA A 112 15.819 21.279 25.138 1.00 32.30 C +ATOM 904 N GLU A 113 12.672 19.518 24.789 1.00 34.77 N +ATOM 905 CA GLU A 113 11.954 18.539 23.956 1.00 36.06 C +ATOM 906 C GLU A 113 11.274 19.300 22.785 1.00 35.86 C +ATOM 907 O GLU A 113 10.466 20.187 23.006 1.00 34.74 O +ATOM 908 CB GLU A 113 10.938 17.759 24.797 1.00 36.50 C +ATOM 909 CG GLU A 113 11.603 16.955 25.937 1.00 39.78 C +ATOM 910 CD GLU A 113 12.002 15.557 25.509 1.00 45.45 C +ATOM 911 OE1 GLU A 113 11.544 15.102 24.419 1.00 44.31 O +ATOM 912 OE2 GLU A 113 12.761 14.903 26.274 1.00 51.30 O +ATOM 913 N ASP A 114 11.666 19.019 21.545 1.00 35.82 N +ATOM 914 CA ASP A 114 10.985 19.580 20.378 1.00 34.48 C +ATOM 915 C ASP A 114 9.466 19.391 20.485 1.00 31.49 C +ATOM 916 O ASP A 114 8.695 20.246 20.088 1.00 29.52 O +ATOM 917 CB ASP A 114 11.498 18.904 19.073 1.00 36.45 C +ATOM 918 CG ASP A 114 10.791 19.450 17.799 1.00 41.26 C +ATOM 919 OD1 ASP A 114 10.787 20.698 17.614 1.00 44.17 O +ATOM 920 OD2 ASP A 114 10.180 18.709 16.956 1.00 48.97 O +ATOM 921 N GLU A 115 9.008 18.272 21.031 1.00 30.60 N +ATOM 922 CA GLU A 115 7.584 17.974 21.023 1.00 30.10 C +ATOM 923 C GLU A 115 6.796 18.929 21.947 1.00 29.35 C +ATOM 924 O GLU A 115 5.609 19.101 21.783 1.00 28.55 O +ATOM 925 CB GLU A 115 7.312 16.471 21.373 1.00 32.49 C +ATOM 926 CG GLU A 115 8.062 15.461 20.443 1.00 35.32 C +ATOM 927 CD GLU A 115 9.609 15.378 20.718 1.00 42.59 C +ATOM 928 OE1 GLU A 115 10.059 15.815 21.829 1.00 42.36 O +ATOM 929 OE2 GLU A 115 10.413 14.845 19.852 1.00 43.93 O +ATOM 930 N LEU A 116 7.488 19.549 22.884 1.00 27.81 N +ATOM 931 CA LEU A 116 6.871 20.530 23.794 1.00 28.43 C +ATOM 932 C LEU A 116 7.038 21.950 23.393 1.00 27.40 C +ATOM 933 O LEU A 116 6.758 22.836 24.200 1.00 26.39 O +ATOM 934 CB LEU A 116 7.433 20.306 25.211 1.00 27.23 C +ATOM 935 CG LEU A 116 6.997 18.944 25.758 1.00 31.32 C +ATOM 936 CD1 LEU A 116 7.688 18.669 27.117 1.00 33.94 C +ATOM 937 CD2 LEU A 116 5.453 18.899 25.833 1.00 30.76 C +ATOM 938 N ARG A 117 7.461 22.208 22.135 1.00 27.43 N +ATOM 939 CA ARG A 117 7.806 23.560 21.718 1.00 28.17 C +ATOM 940 C ARG A 117 6.706 24.576 21.978 1.00 26.74 C +ATOM 941 O ARG A 117 6.999 25.700 22.346 1.00 26.90 O +ATOM 942 CB ARG A 117 8.298 23.630 20.233 1.00 30.41 C +ATOM 943 CG ARG A 117 7.284 23.082 19.202 1.00 36.85 C +ATOM 944 CD ARG A 117 7.810 22.967 17.711 1.00 44.75 C +ATOM 945 NE ARG A 117 6.736 22.495 16.835 1.00 50.18 N +ATOM 946 CZ ARG A 117 6.344 21.224 16.692 1.00 54.67 C +ATOM 947 NH1 ARG A 117 6.952 20.243 17.345 1.00 56.56 N +ATOM 948 NH2 ARG A 117 5.323 20.931 15.881 1.00 55.06 N +ATOM 949 N ASP A 118 5.453 24.178 21.843 1.00 24.59 N +ATOM 950 CA ASP A 118 4.352 25.098 21.905 1.00 26.06 C +ATOM 951 C ASP A 118 3.578 25.052 23.275 1.00 23.75 C +ATOM 952 O ASP A 118 2.566 25.718 23.464 1.00 24.91 O +ATOM 953 CB ASP A 118 3.345 24.767 20.788 1.00 27.63 C +ATOM 954 CG ASP A 118 3.848 25.098 19.396 1.00 32.63 C +ATOM 955 OD1 ASP A 118 4.787 25.936 19.194 1.00 39.70 O +ATOM 956 OD2 ASP A 118 3.276 24.584 18.411 1.00 41.88 O +ATOM 957 N ALA A 119 4.014 24.234 24.185 1.00 23.47 N +ATOM 958 CA ALA A 119 3.304 24.074 25.438 1.00 21.41 C +ATOM 959 C ALA A 119 3.455 25.314 26.286 1.00 21.17 C +ATOM 960 O ALA A 119 4.554 25.898 26.370 1.00 20.66 O +ATOM 961 CB ALA A 119 3.843 22.924 26.149 1.00 21.34 C +ATOM 962 N VAL A 120 2.421 25.652 27.048 1.00 22.12 N +ATOM 963 CA VAL A 120 2.532 26.766 27.964 1.00 19.70 C +ATOM 964 C VAL A 120 3.166 26.195 29.215 1.00 19.99 C +ATOM 965 O VAL A 120 2.969 25.015 29.523 1.00 20.20 O +ATOM 966 CB VAL A 120 1.160 27.410 28.285 1.00 22.48 C +ATOM 967 CG1 VAL A 120 0.496 27.980 26.962 1.00 21.77 C +ATOM 968 CG2 VAL A 120 0.278 26.462 28.967 1.00 26.30 C +ATOM 969 N LEU A 121 3.814 27.046 29.994 1.00 17.42 N +ATOM 970 CA LEU A 121 4.484 26.610 31.226 1.00 17.13 C +ATOM 971 C LEU A 121 3.922 27.302 32.447 1.00 14.81 C +ATOM 972 O LEU A 121 3.903 28.543 32.520 1.00 15.99 O +ATOM 973 CB LEU A 121 5.993 26.910 31.114 1.00 16.33 C +ATOM 974 CG LEU A 121 6.848 26.646 32.342 1.00 15.41 C +ATOM 975 CD1 LEU A 121 6.840 25.197 32.729 1.00 15.90 C +ATOM 976 CD2 LEU A 121 8.334 27.234 32.207 1.00 16.99 C +ATOM 977 N LEU A 122 3.493 26.526 33.401 1.00 15.63 N +ATOM 978 CA LEU A 122 3.075 27.010 34.750 1.00 14.76 C +ATOM 979 C LEU A 122 3.990 26.436 35.745 1.00 15.05 C +ATOM 980 O LEU A 122 4.102 25.151 35.886 1.00 17.40 O +ATOM 981 CB LEU A 122 1.632 26.622 35.064 1.00 14.69 C +ATOM 982 CG LEU A 122 1.073 26.865 36.451 1.00 16.16 C +ATOM 983 CD1 LEU A 122 1.180 28.365 36.751 1.00 16.30 C +ATOM 984 CD2 LEU A 122 -0.317 26.340 36.533 1.00 18.86 C +ATOM 985 N VAL A 123 4.675 27.314 36.498 1.00 15.52 N +ATOM 986 CA VAL A 123 5.544 26.881 37.564 1.00 15.66 C +ATOM 987 C VAL A 123 4.814 27.057 38.905 1.00 15.71 C +ATOM 988 O VAL A 123 4.322 28.138 39.199 1.00 17.91 O +ATOM 989 CB VAL A 123 6.885 27.624 37.541 1.00 15.78 C +ATOM 990 CG1 VAL A 123 7.749 27.196 38.740 1.00 17.66 C +ATOM 991 CG2 VAL A 123 7.631 27.336 36.266 1.00 18.90 C +ATOM 992 N PHE A 124 4.715 26.000 39.711 1.00 15.64 N +ATOM 993 CA PHE A 124 4.255 26.128 41.071 1.00 15.71 C +ATOM 994 C PHE A 124 5.499 26.138 41.980 1.00 16.78 C +ATOM 995 O PHE A 124 6.282 25.167 42.058 1.00 19.87 O +ATOM 996 CB PHE A 124 3.385 24.976 41.460 1.00 14.93 C +ATOM 997 CG PHE A 124 1.965 25.035 40.902 1.00 19.09 C +ATOM 998 CD1 PHE A 124 1.199 26.235 40.966 1.00 23.54 C +ATOM 999 CD2 PHE A 124 1.354 23.905 40.446 1.00 20.32 C +ATOM 1000 CE1 PHE A 124 -0.185 26.236 40.589 1.00 22.98 C +ATOM 1001 CE2 PHE A 124 0.012 23.962 39.982 1.00 21.98 C +ATOM 1002 CZ PHE A 124 -0.714 25.099 40.053 1.00 21.50 C +ATOM 1003 N ALA A 125 5.667 27.248 42.652 1.00 16.65 N +ATOM 1004 CA ALA A 125 6.740 27.439 43.608 1.00 15.68 C +ATOM 1005 C ALA A 125 6.107 26.998 44.918 1.00 14.91 C +ATOM 1006 O ALA A 125 5.487 27.771 45.661 1.00 16.65 O +ATOM 1007 CB ALA A 125 7.164 28.906 43.633 1.00 17.89 C +ATOM 1008 N ASN A 126 6.292 25.740 45.236 1.00 16.21 N +ATOM 1009 CA ASN A 126 5.483 25.089 46.280 1.00 14.37 C +ATOM 1010 C ASN A 126 6.171 25.166 47.596 1.00 17.33 C +ATOM 1011 O ASN A 126 7.337 25.438 47.667 1.00 17.28 O +ATOM 1012 CB ASN A 126 5.250 23.639 45.874 1.00 16.11 C +ATOM 1013 CG ASN A 126 4.224 22.935 46.730 1.00 16.04 C +ATOM 1014 OD1 ASN A 126 3.228 23.596 47.133 1.00 17.31 O +ATOM 1015 ND2 ASN A 126 4.449 21.608 47.060 1.00 14.84 N +ATOM 1016 N LYS A 127 5.443 24.879 48.648 1.00 16.96 N +ATOM 1017 CA LYS A 127 5.969 24.820 50.034 1.00 16.08 C +ATOM 1018 C LYS A 127 6.235 26.211 50.563 1.00 17.22 C +ATOM 1019 O LYS A 127 7.099 26.417 51.405 1.00 17.93 O +ATOM 1020 CB LYS A 127 7.143 23.873 50.281 1.00 17.49 C +ATOM 1021 CG LYS A 127 6.999 22.497 49.627 1.00 18.81 C +ATOM 1022 CD LYS A 127 7.736 21.428 50.297 1.00 18.72 C +ATOM 1023 CE LYS A 127 7.668 20.098 49.568 1.00 20.39 C +ATOM 1024 NZ LYS A 127 8.656 19.066 50.056 1.00 15.36 N +ATOM 1025 N GLN A 128 5.427 27.173 50.114 1.00 16.48 N +ATOM 1026 CA GLN A 128 5.531 28.536 50.638 1.00 17.15 C +ATOM 1027 C GLN A 128 5.229 28.703 52.115 1.00 19.62 C +ATOM 1028 O GLN A 128 5.624 29.715 52.705 1.00 18.93 O +ATOM 1029 CB GLN A 128 4.659 29.473 49.828 1.00 18.02 C +ATOM 1030 CG GLN A 128 5.112 29.561 48.410 1.00 20.29 C +ATOM 1031 CD GLN A 128 6.512 30.201 48.295 1.00 23.02 C +ATOM 1032 OE1 GLN A 128 6.795 31.263 48.915 1.00 20.65 O +ATOM 1033 NE2 GLN A 128 7.348 29.602 47.461 1.00 21.66 N +ATOM 1034 N ASP A 129 4.577 27.728 52.725 1.00 19.11 N +ATOM 1035 CA ASP A 129 4.357 27.776 54.168 1.00 20.88 C +ATOM 1036 C ASP A 129 5.609 27.591 55.032 1.00 21.23 C +ATOM 1037 O ASP A 129 5.581 27.853 56.233 1.00 20.23 O +ATOM 1038 CB ASP A 129 3.342 26.727 54.559 1.00 21.32 C +ATOM 1039 CG ASP A 129 3.796 25.312 54.189 1.00 21.26 C +ATOM 1040 OD1 ASP A 129 4.114 25.084 53.003 1.00 19.91 O +ATOM 1041 OD2 ASP A 129 3.970 24.425 55.028 1.00 19.36 O +ATOM 1042 N LEU A 130 6.696 27.093 54.454 1.00 19.53 N +ATOM 1043 CA LEU A 130 7.911 26.827 55.226 1.00 19.21 C +ATOM 1044 C LEU A 130 8.687 28.135 55.435 1.00 20.15 C +ATOM 1045 O LEU A 130 8.788 28.972 54.543 1.00 18.47 O +ATOM 1046 CB LEU A 130 8.741 25.716 54.572 1.00 19.53 C +ATOM 1047 CG LEU A 130 8.098 24.347 54.472 1.00 19.01 C +ATOM 1048 CD1 LEU A 130 8.894 23.365 53.640 1.00 19.51 C +ATOM 1049 CD2 LEU A 130 7.794 23.768 55.922 1.00 22.24 C +ATOM 1050 N PRO A 131 9.197 28.351 56.634 1.00 20.39 N +ATOM 1051 CA PRO A 131 9.739 29.664 56.981 1.00 20.76 C +ATOM 1052 C PRO A 131 10.928 30.086 56.181 1.00 19.89 C +ATOM 1053 O PRO A 131 11.182 31.279 56.111 1.00 20.26 O +ATOM 1054 CB PRO A 131 10.157 29.513 58.471 1.00 22.25 C +ATOM 1055 CG PRO A 131 10.155 28.026 58.742 1.00 22.30 C +ATOM 1056 CD PRO A 131 9.256 27.405 57.755 1.00 22.79 C +ATOM 1057 N ASN A 132 11.703 29.168 55.654 1.00 19.73 N +ATOM 1058 CA ASN A 132 12.864 29.605 54.861 1.00 21.35 C +ATOM 1059 C ASN A 132 12.723 29.375 53.372 1.00 21.43 C +ATOM 1060 O ASN A 132 13.699 29.447 52.643 1.00 21.05 O +ATOM 1061 CB ASN A 132 14.123 28.913 55.343 1.00 22.80 C +ATOM 1062 CG ASN A 132 14.948 29.824 56.049 1.00 30.00 C +ATOM 1063 OD1 ASN A 132 14.987 29.751 57.274 1.00 39.18 O +ATOM 1064 ND2 ASN A 132 15.518 30.810 55.355 1.00 26.72 N +ATOM 1065 N ALA A 133 11.481 29.164 52.937 1.00 19.92 N +ATOM 1066 CA ALA A 133 11.184 29.022 51.516 1.00 20.83 C +ATOM 1067 C ALA A 133 11.575 30.234 50.682 1.00 19.72 C +ATOM 1068 O ALA A 133 11.379 31.386 51.049 1.00 19.07 O +ATOM 1069 CB ALA A 133 9.753 28.718 51.333 1.00 21.75 C +ATOM 1070 N MET A 134 12.086 29.950 49.499 1.00 19.30 N +ATOM 1071 CA MET A 134 12.248 30.944 48.475 1.00 18.68 C +ATOM 1072 C MET A 134 10.910 31.326 47.960 1.00 19.85 C +ATOM 1073 O MET A 134 10.038 30.444 47.713 1.00 21.74 O +ATOM 1074 CB MET A 134 13.106 30.383 47.338 1.00 17.02 C +ATOM 1075 CG MET A 134 14.532 29.999 47.797 1.00 21.15 C +ATOM 1076 SD MET A 134 15.442 29.273 46.338 1.00 24.17 S +ATOM 1077 CE MET A 134 14.866 27.665 46.396 1.00 27.71 C +ATOM 1078 N ASN A 135 10.684 32.623 47.784 1.00 19.00 N +ATOM 1079 CA ASN A 135 9.434 33.044 47.220 1.00 20.72 C +ATOM 1080 C ASN A 135 9.443 32.983 45.693 1.00 20.85 C +ATOM 1081 O ASN A 135 10.431 32.588 45.106 1.00 19.76 O +ATOM 1082 CB ASN A 135 8.910 34.363 47.787 1.00 20.68 C +ATOM 1083 CG ASN A 135 9.662 35.561 47.361 1.00 24.02 C +ATOM 1084 OD1 ASN A 135 10.423 35.563 46.382 1.00 20.61 O +ATOM 1085 ND2 ASN A 135 9.384 36.700 48.114 1.00 26.88 N +ATOM 1086 N ALA A 136 8.300 33.299 45.091 1.00 22.75 N +ATOM 1087 CA ALA A 136 8.149 33.197 43.635 1.00 22.22 C +ATOM 1088 C ALA A 136 9.184 34.028 42.881 1.00 21.89 C +ATOM 1089 O ALA A 136 9.753 33.598 41.897 1.00 21.74 O +ATOM 1090 CB ALA A 136 6.728 33.624 43.239 1.00 23.79 C +ATOM 1091 N ALA A 137 9.414 35.255 43.318 1.00 22.94 N +ATOM 1092 CA ALA A 137 10.437 36.105 42.682 1.00 23.25 C +ATOM 1093 C ALA A 137 11.812 35.441 42.769 1.00 22.12 C +ATOM 1094 O ALA A 137 12.561 35.413 41.798 1.00 21.39 O +ATOM 1095 CB ALA A 137 10.450 37.534 43.336 1.00 23.17 C +ATOM 1096 N GLU A 138 12.154 34.839 43.898 1.00 21.53 N +ATOM 1097 CA GLU A 138 13.449 34.161 44.021 1.00 22.81 C +ATOM 1098 C GLU A 138 13.547 32.910 43.194 1.00 22.73 C +ATOM 1099 O GLU A 138 14.558 32.679 42.578 1.00 22.58 O +ATOM 1100 CB GLU A 138 13.787 33.742 45.470 1.00 24.27 C +ATOM 1101 CG GLU A 138 13.867 34.851 46.485 1.00 26.70 C +ATOM 1102 CD GLU A 138 13.901 34.362 47.935 1.00 33.93 C +ATOM 1103 OE1 GLU A 138 15.031 34.281 48.438 1.00 34.08 O +ATOM 1104 OE2 GLU A 138 12.799 34.162 48.593 1.00 32.45 O +ATOM 1105 N ILE A 139 12.466 32.128 43.136 1.00 21.10 N +ATOM 1106 CA ILE A 139 12.449 30.911 42.320 1.00 20.58 C +ATOM 1107 C ILE A 139 12.599 31.263 40.845 1.00 19.80 C +ATOM 1108 O ILE A 139 13.283 30.598 40.137 1.00 20.32 O +ATOM 1109 CB ILE A 139 11.197 30.134 42.561 1.00 21.02 C +ATOM 1110 CG1 ILE A 139 11.195 29.487 43.944 1.00 20.41 C +ATOM 1111 CG2 ILE A 139 10.994 29.040 41.447 1.00 20.88 C +ATOM 1112 CD1 ILE A 139 12.230 28.448 44.141 1.00 21.13 C +ATOM 1113 N THR A 140 11.999 32.351 40.430 1.00 20.32 N +ATOM 1114 CA THR A 140 12.005 32.782 39.046 1.00 20.25 C +ATOM 1115 C THR A 140 13.468 32.978 38.608 1.00 22.90 C +ATOM 1116 O THR A 140 13.856 32.606 37.519 1.00 21.01 O +ATOM 1117 CB THR A 140 11.259 34.103 38.939 1.00 20.34 C +ATOM 1118 OG1 THR A 140 9.875 33.861 39.087 1.00 19.36 O +ATOM 1119 CG2 THR A 140 11.359 34.716 37.537 1.00 24.26 C +ATOM 1120 N ASP A 141 14.260 33.557 39.500 1.00 21.69 N +ATOM 1121 CA ASP A 141 15.657 33.813 39.236 1.00 24.93 C +ATOM 1122 C ASP A 141 16.447 32.531 39.184 1.00 24.89 C +ATOM 1123 O ASP A 141 17.230 32.274 38.267 1.00 22.86 O +ATOM 1124 CB ASP A 141 16.186 34.775 40.314 1.00 27.38 C +ATOM 1125 CG ASP A 141 15.806 36.187 40.081 1.00 32.72 C +ATOM 1126 OD1 ASP A 141 15.269 36.547 38.999 1.00 40.23 O +ATOM 1127 OD2 ASP A 141 16.111 37.057 40.952 1.00 43.31 O +ATOM 1128 N LYS A 142 16.243 31.687 40.192 1.00 25.77 N +ATOM 1129 CA LYS A 142 16.987 30.427 40.291 1.00 26.92 C +ATOM 1130 C LYS A 142 16.672 29.424 39.194 1.00 25.78 C +ATOM 1131 O LYS A 142 17.554 28.619 38.819 1.00 26.69 O +ATOM 1132 CB LYS A 142 16.711 29.784 41.695 1.00 27.58 C +ATOM 1133 CG LYS A 142 17.310 30.539 42.873 1.00 31.50 C +ATOM 1134 CD LYS A 142 18.798 30.454 42.817 1.00 39.89 C +ATOM 1135 CE LYS A 142 19.481 30.934 44.126 1.00 42.73 C +ATOM 1136 NZ LYS A 142 20.648 30.007 44.450 1.00 43.13 N +ATOM 1137 N LEU A 143 15.472 29.505 38.611 1.00 20.57 N +ATOM 1138 CA LEU A 143 15.105 28.611 37.544 1.00 21.97 C +ATOM 1139 C LEU A 143 15.503 29.213 36.180 1.00 21.38 C +ATOM 1140 O LEU A 143 15.390 28.555 35.190 1.00 24.41 O +ATOM 1141 CB LEU A 143 13.621 28.251 37.552 1.00 20.64 C +ATOM 1142 CG LEU A 143 13.126 27.384 38.726 1.00 22.37 C +ATOM 1143 CD1 LEU A 143 11.657 27.081 38.530 1.00 24.55 C +ATOM 1144 CD2 LEU A 143 13.970 26.058 38.796 1.00 26.81 C +ATOM 1145 N GLY A 144 15.913 30.460 36.166 1.00 21.54 N +ATOM 1146 CA GLY A 144 16.277 31.136 34.943 1.00 21.47 C +ATOM 1147 C GLY A 144 15.113 31.449 34.013 1.00 20.71 C +ATOM 1148 O GLY A 144 15.307 31.456 32.778 1.00 21.35 O +ATOM 1149 N LEU A 145 13.926 31.707 34.578 1.00 18.41 N +ATOM 1150 CA LEU A 145 12.726 31.847 33.775 1.00 16.48 C +ATOM 1151 C LEU A 145 12.802 33.104 32.898 1.00 16.72 C +ATOM 1152 O LEU A 145 12.252 33.096 31.795 1.00 15.43 O +ATOM 1153 CB LEU A 145 11.472 31.938 34.677 1.00 17.44 C +ATOM 1154 CG LEU A 145 11.304 30.639 35.493 1.00 18.04 C +ATOM 1155 CD1 LEU A 145 9.989 30.723 36.247 1.00 21.27 C +ATOM 1156 CD2 LEU A 145 11.409 29.376 34.642 1.00 18.28 C +ATOM 1157 N HIS A 146 13.479 34.157 33.357 1.00 17.96 N +ATOM 1158 CA HIS A 146 13.602 35.374 32.493 1.00 19.12 C +ATOM 1159 C HIS A 146 14.480 35.170 31.290 1.00 19.94 C +ATOM 1160 O HIS A 146 14.532 36.074 30.448 1.00 20.97 O +ATOM 1161 CB HIS A 146 14.140 36.549 33.277 1.00 22.53 C +ATOM 1162 CG HIS A 146 13.136 37.111 34.222 1.00 23.67 C +ATOM 1163 ND1 HIS A 146 11.934 37.620 33.776 1.00 31.79 N +ATOM 1164 CD2 HIS A 146 13.121 37.200 35.572 1.00 28.96 C +ATOM 1165 CE1 HIS A 146 11.231 38.026 34.822 1.00 33.70 C +ATOM 1166 NE2 HIS A 146 11.940 37.811 35.912 1.00 29.12 N +ATOM 1167 N SER A 147 15.203 34.047 31.184 1.00 19.60 N +ATOM 1168 CA SER A 147 15.942 33.733 29.939 1.00 20.94 C +ATOM 1169 C SER A 147 15.102 32.910 28.944 1.00 20.12 C +ATOM 1170 O SER A 147 15.505 32.605 27.836 1.00 20.18 O +ATOM 1171 CB SER A 147 17.248 33.015 30.303 1.00 23.53 C +ATOM 1172 OG SER A 147 16.971 31.624 30.460 1.00 33.85 O +ATOM 1173 N LEU A 148 13.889 32.557 29.312 1.00 19.17 N +ATOM 1174 CA LEU A 148 13.046 31.835 28.357 1.00 19.32 C +ATOM 1175 C LEU A 148 12.590 32.759 27.224 1.00 19.43 C +ATOM 1176 O LEU A 148 12.249 33.938 27.446 1.00 20.28 O +ATOM 1177 CB LEU A 148 11.829 31.279 29.050 1.00 18.76 C +ATOM 1178 CG LEU A 148 12.166 30.195 30.040 1.00 21.55 C +ATOM 1179 CD1 LEU A 148 10.889 29.891 30.750 1.00 22.73 C +ATOM 1180 CD2 LEU A 148 12.818 28.967 29.446 1.00 26.18 C +ATOM 1181 N ARG A 149 12.534 32.193 26.040 1.00 19.85 N +ATOM 1182 CA ARG A 149 12.025 32.894 24.828 1.00 20.30 C +ATOM 1183 C ARG A 149 11.013 32.027 24.095 1.00 20.74 C +ATOM 1184 O ARG A 149 11.087 30.782 24.188 1.00 23.18 O +ATOM 1185 CB ARG A 149 13.195 33.151 23.869 1.00 20.56 C +ATOM 1186 CG ARG A 149 14.295 34.077 24.424 1.00 21.54 C +ATOM 1187 CD ARG A 149 13.811 35.507 24.719 1.00 22.22 C +ATOM 1188 NE ARG A 149 14.906 36.325 25.212 1.00 23.63 N +ATOM 1189 CZ ARG A 149 15.140 36.615 26.495 1.00 23.65 C +ATOM 1190 NH1 ARG A 149 14.390 36.114 27.462 1.00 22.07 N +ATOM 1191 NH2 ARG A 149 16.206 37.361 26.828 1.00 18.68 N +ATOM 1192 N HIS A 150 10.037 32.687 23.468 1.00 20.87 N +ATOM 1193 CA HIS A 150 9.001 32.047 22.687 1.00 24.29 C +ATOM 1194 C HIS A 150 8.208 31.043 23.525 1.00 23.49 C +ATOM 1195 O HIS A 150 7.923 29.957 23.057 1.00 25.57 O +ATOM 1196 CB HIS A 150 9.635 31.403 21.480 1.00 26.30 C +ATOM 1197 CG HIS A 150 10.288 32.420 20.605 1.00 30.79 C +ATOM 1198 ND1 HIS A 150 9.600 33.520 20.133 1.00 37.39 N +ATOM 1199 CD2 HIS A 150 11.582 32.594 20.232 1.00 38.13 C +ATOM 1200 CE1 HIS A 150 10.425 34.273 19.419 1.00 39.69 C +ATOM 1201 NE2 HIS A 150 11.638 33.749 19.486 1.00 38.46 N +ATOM 1202 N ARG A 151 7.987 31.405 24.777 1.00 22.66 N +ATOM 1203 CA ARG A 151 7.341 30.523 25.776 1.00 21.79 C +ATOM 1204 C ARG A 151 6.390 31.376 26.604 1.00 22.16 C +ATOM 1205 O ARG A 151 6.804 32.375 27.208 1.00 23.80 O +ATOM 1206 CB ARG A 151 8.396 29.846 26.688 1.00 21.96 C +ATOM 1207 CG ARG A 151 7.825 28.801 27.723 1.00 24.87 C +ATOM 1208 CD ARG A 151 7.434 27.566 27.118 1.00 24.35 C +ATOM 1209 NE ARG A 151 8.565 26.883 26.474 1.00 23.21 N +ATOM 1210 CZ ARG A 151 8.465 25.743 25.866 1.00 25.90 C +ATOM 1211 NH1 ARG A 151 7.261 25.181 25.742 1.00 22.04 N +ATOM 1212 NH2 ARG A 151 9.534 25.182 25.296 1.00 23.71 N +ATOM 1213 N ASN A 152 5.112 30.988 26.665 1.00 19.51 N +ATOM 1214 CA ASN A 152 4.171 31.650 27.513 1.00 19.28 C +ATOM 1215 C ASN A 152 4.299 30.988 28.898 1.00 18.58 C +ATOM 1216 O ASN A 152 4.070 29.798 28.995 1.00 16.94 O +ATOM 1217 CB ASN A 152 2.837 31.360 26.922 1.00 23.02 C +ATOM 1218 CG ASN A 152 1.738 32.045 27.595 1.00 25.21 C +ATOM 1219 OD1 ASN A 152 1.925 32.875 28.487 1.00 29.56 O +ATOM 1220 ND2 ASN A 152 0.517 31.729 27.118 1.00 29.41 N +ATOM 1221 N TRP A 153 4.745 31.728 29.896 1.00 19.47 N +ATOM 1222 CA TRP A 153 5.041 31.109 31.243 1.00 18.38 C +ATOM 1223 C TRP A 153 4.493 31.932 32.341 1.00 18.50 C +ATOM 1224 O TRP A 153 4.323 33.162 32.190 1.00 18.86 O +ATOM 1225 CB TRP A 153 6.530 30.778 31.462 1.00 18.79 C +ATOM 1226 CG TRP A 153 7.446 31.960 31.490 1.00 20.11 C +ATOM 1227 CD1 TRP A 153 8.037 32.558 30.446 1.00 22.10 C +ATOM 1228 CD2 TRP A 153 7.817 32.733 32.662 1.00 18.42 C +ATOM 1229 NE1 TRP A 153 8.823 33.597 30.902 1.00 18.17 N +ATOM 1230 CE2 TRP A 153 8.647 33.752 32.246 1.00 20.07 C +ATOM 1231 CE3 TRP A 153 7.463 32.674 33.989 1.00 18.42 C +ATOM 1232 CZ2 TRP A 153 9.178 34.693 33.126 1.00 21.77 C +ATOM 1233 CZ3 TRP A 153 8.018 33.555 34.869 1.00 19.76 C +ATOM 1234 CH2 TRP A 153 8.819 34.570 34.439 1.00 22.23 C +ATOM 1235 N TYR A 154 4.235 31.291 33.485 1.00 16.05 N +ATOM 1236 CA TYR A 154 3.739 31.948 34.666 1.00 15.61 C +ATOM 1237 C TYR A 154 4.270 31.244 35.877 1.00 17.43 C +ATOM 1238 O TYR A 154 4.491 30.038 35.797 1.00 18.31 O +ATOM 1239 CB TYR A 154 2.235 31.940 34.642 1.00 17.78 C +ATOM 1240 CG TYR A 154 1.550 32.725 35.706 1.00 17.23 C +ATOM 1241 CD1 TYR A 154 1.454 34.117 35.581 1.00 25.18 C +ATOM 1242 CD2 TYR A 154 0.904 32.109 36.799 1.00 18.34 C +ATOM 1243 CE1 TYR A 154 0.816 34.888 36.497 1.00 28.29 C +ATOM 1244 CE2 TYR A 154 0.241 32.901 37.767 1.00 23.21 C +ATOM 1245 CZ TYR A 154 0.239 34.283 37.626 1.00 30.50 C +ATOM 1246 OH TYR A 154 -0.352 35.154 38.500 1.00 30.74 O +ATOM 1247 N ILE A 155 4.547 31.975 36.948 1.00 17.35 N +ATOM 1248 CA ILE A 155 4.933 31.311 38.192 1.00 17.22 C +ATOM 1249 C ILE A 155 3.949 31.677 39.262 1.00 16.77 C +ATOM 1250 O ILE A 155 3.545 32.867 39.379 1.00 18.74 O +ATOM 1251 CB ILE A 155 6.376 31.636 38.550 1.00 17.32 C +ATOM 1252 CG1 ILE A 155 6.745 30.864 39.840 1.00 18.24 C +ATOM 1253 CG2 ILE A 155 6.558 33.145 38.779 1.00 20.13 C +ATOM 1254 CD1 ILE A 155 8.159 30.624 40.018 1.00 19.19 C +ATOM 1255 N GLN A 156 3.515 30.684 40.018 1.00 15.37 N +ATOM 1256 CA GLN A 156 2.542 30.850 41.050 1.00 16.93 C +ATOM 1257 C GLN A 156 3.080 30.283 42.392 1.00 16.86 C +ATOM 1258 O GLN A 156 3.431 29.105 42.466 1.00 15.54 O +ATOM 1259 CB GLN A 156 1.273 30.072 40.688 1.00 18.05 C +ATOM 1260 CG GLN A 156 0.161 30.092 41.747 1.00 17.15 C +ATOM 1261 CD GLN A 156 -0.416 31.406 41.931 1.00 22.46 C +ATOM 1262 OE1 GLN A 156 -0.892 32.010 40.985 1.00 22.50 O +ATOM 1263 NE2 GLN A 156 -0.399 31.891 43.165 1.00 24.18 N +ATOM 1264 N ALA A 157 3.008 31.084 43.442 1.00 17.54 N +ATOM 1265 CA ALA A 157 3.387 30.597 44.791 1.00 17.86 C +ATOM 1266 C ALA A 157 2.239 29.703 45.260 1.00 19.72 C +ATOM 1267 O ALA A 157 1.062 30.046 45.078 1.00 18.91 O +ATOM 1268 CB ALA A 157 3.563 31.745 45.769 1.00 20.13 C +ATOM 1269 N THR A 158 2.591 28.553 45.824 1.00 20.72 N +ATOM 1270 CA THR A 158 1.634 27.595 46.317 1.00 20.84 C +ATOM 1271 C THR A 158 2.015 26.967 47.637 1.00 20.67 C +ATOM 1272 O THR A 158 3.163 26.886 47.984 1.00 19.02 O +ATOM 1273 CB THR A 158 1.361 26.438 45.327 1.00 21.97 C +ATOM 1274 OG1 THR A 158 2.522 25.632 45.145 1.00 22.24 O +ATOM 1275 CG2 THR A 158 1.028 26.971 43.970 1.00 23.83 C +ATOM 1276 N CYS A 159 0.984 26.535 48.364 1.00 19.97 N +ATOM 1277 CA CYS A 159 1.146 25.576 49.456 1.00 19.59 C +ATOM 1278 C CYS A 159 0.196 24.404 49.116 1.00 19.77 C +ATOM 1279 O CYS A 159 -0.999 24.590 49.198 1.00 19.31 O +ATOM 1280 CB CYS A 159 0.777 26.246 50.822 1.00 20.59 C +ATOM 1281 SG CYS A 159 0.625 24.964 52.069 1.00 24.73 S +ATOM 1282 N ALA A 160 0.735 23.240 48.677 1.00 19.47 N +ATOM 1283 CA ALA A 160 -0.092 22.170 48.171 1.00 20.78 C +ATOM 1284 C ALA A 160 -0.892 21.498 49.259 1.00 19.55 C +ATOM 1285 O ALA A 160 -1.953 20.916 48.963 1.00 20.08 O +ATOM 1286 CB ALA A 160 0.714 21.143 47.388 1.00 20.19 C +ATOM 1287 N THR A 161 -0.373 21.537 50.470 1.00 18.88 N +ATOM 1288 CA THR A 161 -1.093 20.878 51.571 1.00 20.00 C +ATOM 1289 C THR A 161 -2.382 21.645 51.911 1.00 20.71 C +ATOM 1290 O THR A 161 -3.326 21.052 52.417 1.00 20.97 O +ATOM 1291 CB THR A 161 -0.235 20.704 52.817 1.00 19.47 C +ATOM 1292 OG1 THR A 161 0.333 21.930 53.182 1.00 21.47 O +ATOM 1293 CG2 THR A 161 0.994 19.746 52.645 1.00 19.11 C +ATOM 1294 N SER A 162 -2.399 22.972 51.738 1.00 20.73 N +ATOM 1295 CA SER A 162 -3.623 23.738 51.948 1.00 21.31 C +ATOM 1296 C SER A 162 -4.359 23.934 50.642 1.00 22.01 C +ATOM 1297 O SER A 162 -5.541 24.188 50.627 1.00 22.29 O +ATOM 1298 CB SER A 162 -3.298 25.087 52.567 1.00 20.69 C +ATOM 1299 OG SER A 162 -2.541 25.856 51.666 1.00 20.32 O +ATOM 1300 N GLY A 163 -3.668 23.812 49.525 1.00 19.27 N +ATOM 1301 CA GLY A 163 -4.321 24.104 48.259 1.00 19.62 C +ATOM 1302 C GLY A 163 -4.122 25.539 47.828 1.00 19.51 C +ATOM 1303 O GLY A 163 -4.457 25.921 46.686 1.00 19.94 O +ATOM 1304 N ASP A 164 -3.518 26.352 48.670 1.00 18.34 N +ATOM 1305 CA ASP A 164 -3.407 27.786 48.346 1.00 19.80 C +ATOM 1306 C ASP A 164 -2.551 27.999 47.096 1.00 19.58 C +ATOM 1307 O ASP A 164 -1.502 27.394 46.970 1.00 20.83 O +ATOM 1308 CB ASP A 164 -2.839 28.641 49.506 1.00 22.11 C +ATOM 1309 CG ASP A 164 -3.838 28.843 50.656 1.00 29.22 C +ATOM 1310 OD1 ASP A 164 -5.102 28.849 50.458 1.00 38.31 O +ATOM 1311 OD2 ASP A 164 -3.452 29.005 51.823 1.00 41.31 O +ATOM 1312 N GLY A 165 -3.023 28.870 46.201 1.00 17.66 N +ATOM 1313 CA GLY A 165 -2.353 29.147 44.932 1.00 18.35 C +ATOM 1314 C GLY A 165 -2.711 28.247 43.765 1.00 19.66 C +ATOM 1315 O GLY A 165 -2.519 28.668 42.616 1.00 17.64 O +ATOM 1316 N LEU A 166 -3.223 27.034 44.034 1.00 19.82 N +ATOM 1317 CA LEU A 166 -3.608 26.085 42.965 1.00 20.41 C +ATOM 1318 C LEU A 166 -4.687 26.677 42.026 1.00 21.57 C +ATOM 1319 O LEU A 166 -4.523 26.697 40.809 1.00 20.51 O +ATOM 1320 CB LEU A 166 -4.065 24.740 43.518 1.00 20.29 C +ATOM 1321 CG LEU A 166 -3.019 23.949 44.308 1.00 21.32 C +ATOM 1322 CD1 LEU A 166 -3.589 22.612 44.701 1.00 20.90 C +ATOM 1323 CD2 LEU A 166 -1.725 23.712 43.515 1.00 22.03 C +ATOM 1324 N TYR A 167 -5.744 27.202 42.609 1.00 19.96 N +ATOM 1325 CA TYR A 167 -6.807 27.851 41.856 1.00 21.54 C +ATOM 1326 C TYR A 167 -6.267 28.948 40.960 1.00 19.48 C +ATOM 1327 O TYR A 167 -6.555 28.983 39.791 1.00 20.04 O +ATOM 1328 CB TYR A 167 -7.843 28.467 42.856 1.00 23.41 C +ATOM 1329 CG TYR A 167 -9.037 28.986 42.106 1.00 26.19 C +ATOM 1330 CD1 TYR A 167 -10.058 28.124 41.729 1.00 33.17 C +ATOM 1331 CD2 TYR A 167 -9.084 30.310 41.690 1.00 34.04 C +ATOM 1332 CE1 TYR A 167 -11.162 28.585 40.998 1.00 38.11 C +ATOM 1333 CE2 TYR A 167 -10.188 30.800 40.952 1.00 37.35 C +ATOM 1334 CZ TYR A 167 -11.211 29.924 40.629 1.00 41.02 C +ATOM 1335 OH TYR A 167 -12.267 30.399 39.900 1.00 47.07 O +ATOM 1336 N GLU A 168 -5.441 29.835 41.491 1.00 20.57 N +ATOM 1337 CA GLU A 168 -4.961 30.958 40.753 1.00 21.22 C +ATOM 1338 C GLU A 168 -4.030 30.530 39.594 1.00 21.55 C +ATOM 1339 O GLU A 168 -4.087 31.098 38.529 1.00 19.31 O +ATOM 1340 CB GLU A 168 -4.243 31.980 41.680 1.00 24.25 C +ATOM 1341 CG GLU A 168 -5.137 32.520 42.824 1.00 28.09 C +ATOM 1342 CD GLU A 168 -5.317 31.657 44.090 1.00 33.12 C +ATOM 1343 OE1 GLU A 168 -5.105 30.390 44.174 1.00 25.70 O +ATOM 1344 OE2 GLU A 168 -5.761 32.275 45.086 1.00 41.66 O +ATOM 1345 N GLY A 169 -3.196 29.526 39.808 1.00 19.86 N +ATOM 1346 CA GLY A 169 -2.315 29.081 38.715 1.00 20.05 C +ATOM 1347 C GLY A 169 -3.130 28.392 37.640 1.00 21.09 C +ATOM 1348 O GLY A 169 -2.877 28.619 36.444 1.00 19.43 O +ATOM 1349 N LEU A 170 -4.093 27.530 38.032 1.00 19.41 N +ATOM 1350 CA LEU A 170 -4.892 26.856 37.024 1.00 19.35 C +ATOM 1351 C LEU A 170 -5.820 27.820 36.264 1.00 19.58 C +ATOM 1352 O LEU A 170 -6.185 27.559 35.116 1.00 19.04 O +ATOM 1353 CB LEU A 170 -5.738 25.720 37.628 1.00 20.44 C +ATOM 1354 CG LEU A 170 -4.898 24.586 38.253 1.00 22.97 C +ATOM 1355 CD1 LEU A 170 -5.873 23.480 38.839 1.00 29.12 C +ATOM 1356 CD2 LEU A 170 -3.944 24.014 37.306 1.00 25.70 C +ATOM 1357 N ASP A 171 -6.279 28.858 36.923 1.00 19.20 N +ATOM 1358 CA ASP A 171 -7.101 29.903 36.273 1.00 20.28 C +ATOM 1359 C ASP A 171 -6.265 30.581 35.194 1.00 19.67 C +ATOM 1360 O ASP A 171 -6.753 30.726 34.070 1.00 16.19 O +ATOM 1361 CB ASP A 171 -7.571 30.890 37.351 1.00 20.24 C +ATOM 1362 CG ASP A 171 -8.591 31.888 36.879 1.00 26.88 C +ATOM 1363 OD1 ASP A 171 -9.101 31.801 35.758 1.00 24.32 O +ATOM 1364 OD2 ASP A 171 -8.986 32.779 37.683 1.00 33.82 O +ATOM 1365 N TRP A 172 -5.006 30.949 35.524 1.00 18.66 N +ATOM 1366 CA TRP A 172 -4.041 31.454 34.492 1.00 20.12 C +ATOM 1367 C TRP A 172 -3.917 30.487 33.338 1.00 19.80 C +ATOM 1368 O TRP A 172 -4.101 30.861 32.207 1.00 20.45 O +ATOM 1369 CB TRP A 172 -2.629 31.672 35.056 1.00 20.33 C +ATOM 1370 CG TRP A 172 -1.678 32.171 33.980 1.00 19.41 C +ATOM 1371 CD1 TRP A 172 -1.543 33.478 33.529 1.00 23.00 C +ATOM 1372 CD2 TRP A 172 -0.816 31.387 33.190 1.00 21.20 C +ATOM 1373 NE1 TRP A 172 -0.652 33.508 32.502 1.00 21.04 N +ATOM 1374 CE2 TRP A 172 -0.176 32.254 32.277 1.00 20.79 C +ATOM 1375 CE3 TRP A 172 -0.457 30.012 33.185 1.00 17.93 C +ATOM 1376 CZ2 TRP A 172 0.822 31.795 31.385 1.00 20.46 C +ATOM 1377 CZ3 TRP A 172 0.505 29.582 32.295 1.00 21.84 C +ATOM 1378 CH2 TRP A 172 1.107 30.459 31.406 1.00 21.34 C +ATOM 1379 N LEU A 173 -3.753 29.215 33.660 1.00 18.69 N +ATOM 1380 CA LEU A 173 -3.605 28.178 32.653 1.00 19.81 C +ATOM 1381 C LEU A 173 -4.862 28.048 31.763 1.00 19.43 C +ATOM 1382 O LEU A 173 -4.786 28.014 30.517 1.00 18.82 O +ATOM 1383 CB LEU A 173 -3.251 26.837 33.299 1.00 20.21 C +ATOM 1384 CG LEU A 173 -3.118 25.649 32.351 1.00 21.06 C +ATOM 1385 CD1 LEU A 173 -1.941 25.863 31.406 1.00 19.96 C +ATOM 1386 CD2 LEU A 173 -2.861 24.306 33.160 1.00 25.35 C +ATOM 1387 N SER A 174 -6.020 28.035 32.399 1.00 19.38 N +ATOM 1388 CA SER A 174 -7.239 27.957 31.672 1.00 20.95 C +ATOM 1389 C SER A 174 -7.386 29.106 30.675 1.00 20.50 C +ATOM 1390 O SER A 174 -7.886 28.927 29.564 1.00 21.72 O +ATOM 1391 CB SER A 174 -8.437 27.907 32.644 1.00 22.76 C +ATOM 1392 OG SER A 174 -8.652 29.175 33.215 1.00 28.00 O +ATOM 1393 N ASN A 175 -6.976 30.291 31.064 1.00 22.56 N +ATOM 1394 CA ASN A 175 -7.129 31.461 30.180 1.00 22.58 C +ATOM 1395 C ASN A 175 -6.126 31.383 29.004 1.00 23.00 C +ATOM 1396 O ASN A 175 -6.413 31.770 27.864 1.00 21.30 O +ATOM 1397 CB ASN A 175 -7.055 32.718 31.024 1.00 24.22 C +ATOM 1398 CG ASN A 175 -8.377 32.967 31.813 1.00 31.29 C +ATOM 1399 OD1 ASN A 175 -9.506 33.041 31.218 1.00 38.36 O +ATOM 1400 ND2 ASN A 175 -8.258 33.112 33.150 1.00 36.77 N +ATOM 1401 N GLN A 176 -4.974 30.778 29.236 1.00 21.31 N +ATOM 1402 CA GLN A 176 -4.037 30.501 28.143 1.00 23.84 C +ATOM 1403 C GLN A 176 -4.559 29.494 27.141 1.00 26.29 C +ATOM 1404 O GLN A 176 -4.349 29.632 25.938 1.00 25.97 O +ATOM 1405 CB GLN A 176 -2.715 29.995 28.746 1.00 23.68 C +ATOM 1406 CG GLN A 176 -2.048 31.004 29.525 1.00 23.74 C +ATOM 1407 CD GLN A 176 -1.708 32.214 28.704 1.00 29.98 C +ATOM 1408 OE1 GLN A 176 -1.150 32.069 27.636 1.00 36.86 O +ATOM 1409 NE2 GLN A 176 -2.000 33.373 29.184 1.00 29.70 N +ATOM 1410 N LEU A 177 -5.288 28.505 27.617 1.00 28.74 N +ATOM 1411 CA LEU A 177 -5.699 27.434 26.740 1.00 31.88 C +ATOM 1412 C LEU A 177 -6.959 27.751 25.963 1.00 35.49 C +ATOM 1413 O LEU A 177 -7.251 27.107 24.975 1.00 36.17 O +ATOM 1414 CB LEU A 177 -5.892 26.179 27.537 1.00 32.30 C +ATOM 1415 CG LEU A 177 -4.609 25.650 28.126 1.00 32.41 C +ATOM 1416 CD1 LEU A 177 -4.892 24.361 28.871 1.00 36.12 C +ATOM 1417 CD2 LEU A 177 -3.589 25.472 27.053 1.00 34.36 C +ATOM 1418 N ARG A 178 -7.715 28.729 26.413 1.00 40.15 N +ATOM 1419 CA ARG A 178 -8.925 29.104 25.713 1.00 45.00 C +ATOM 1420 C ARG A 178 -8.545 30.085 24.598 1.00 47.91 C +ATOM 1421 O ARG A 178 -9.123 30.028 23.531 1.00 48.45 O +ATOM 1422 CB ARG A 178 -9.972 29.630 26.698 1.00 45.50 C +ATOM 1423 CG ARG A 178 -9.847 31.106 27.098 1.00 49.65 C +ATOM 1424 CD ARG A 178 -11.081 31.640 27.897 1.00 54.28 C +ATOM 1425 NE ARG A 178 -11.774 32.706 27.181 1.00 57.70 N +ATOM 1426 CZ ARG A 178 -13.049 33.076 27.381 1.00 60.46 C +ATOM 1427 NH1 ARG A 178 -13.812 32.478 28.311 1.00 61.79 N +ATOM 1428 NH2 ARG A 178 -13.562 34.066 26.643 1.00 59.18 N +ATOM 1429 N ASN A 179 -7.514 30.910 24.853 1.00 52.35 N +ATOM 1430 CA ASN A 179 -7.001 31.970 23.942 1.00 55.64 C +ATOM 1431 C ASN A 179 -6.377 31.485 22.615 1.00 58.08 C +ATOM 1432 O ASN A 179 -6.493 32.180 21.588 1.00 59.37 O +ATOM 1433 CB ASN A 179 -5.929 32.824 24.655 1.00 56.57 C +ATOM 1434 CG ASN A 179 -6.492 34.083 25.280 1.00 57.58 C +ATOM 1435 OD1 ASN A 179 -6.028 35.181 24.981 1.00 61.56 O +ATOM 1436 ND2 ASN A 179 -7.478 33.931 26.169 1.00 57.60 N +ATOM 1437 N GLN A 180 -5.696 30.332 22.637 1.00 59.93 N +ATOM 1438 CA GLN A 180 -5.172 29.715 21.405 1.00 61.34 C +ATOM 1439 C GLN A 180 -6.253 29.332 20.361 1.00 61.54 C +ATOM 1440 O GLN A 180 -7.465 29.301 20.640 1.00 61.60 O +ATOM 1441 CB GLN A 180 -4.354 28.473 21.755 1.00 61.98 C +ATOM 1442 CG GLN A 180 -2.973 28.777 22.310 1.00 63.45 C +ATOM 1443 CD GLN A 180 -2.495 27.715 23.280 1.00 65.23 C +ATOM 1444 OE1 GLN A 180 -2.972 26.574 23.245 1.00 66.08 O +ATOM 1445 NE2 GLN A 180 -1.544 28.082 24.144 1.00 64.68 N +TER 1446 GLN A 180 +END diff --git a/bench/main_benchmark/structures/SFB_FS_KAIB_2QKEB_5JYTA/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_KAIB_2QKEB_5JYTA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9c26a8432492cde73bdfe35756f1a8d820d4302d --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_KAIB_2QKEB_5JYTA/state_a.pdb @@ -0,0 +1,849 @@ +ATOM 1 N MET B 1 5.395 -74.358 -19.972 1.00129.79 N +ATOM 2 CA MET B 1 5.436 -73.243 -20.962 1.00129.79 C +ATOM 3 C MET B 1 4.053 -73.061 -21.612 1.00129.79 C +ATOM 4 O MET B 1 3.944 -72.865 -22.825 1.00129.79 O +ATOM 5 CB MET B 1 6.503 -73.546 -22.029 1.00129.79 C +ATOM 6 CG MET B 1 6.944 -72.344 -22.871 1.00129.79 C +ATOM 7 SD MET B 1 8.306 -72.711 -24.041 1.00129.79 S +ATOM 8 CE MET B 1 9.683 -71.896 -23.250 1.00129.79 C +ATOM 9 N ALA B 2 3.001 -73.128 -20.792 1.00129.79 N +ATOM 10 CA ALA B 2 1.615 -72.972 -21.252 1.00129.79 C +ATOM 11 C ALA B 2 1.376 -71.554 -21.803 1.00129.79 C +ATOM 12 O ALA B 2 2.277 -70.710 -21.770 1.00129.79 O +ATOM 13 CB ALA B 2 0.653 -73.267 -20.091 1.00 95.75 C +ATOM 14 N PRO B 3 0.157 -71.270 -22.312 1.00129.79 N +ATOM 15 CA PRO B 3 -0.144 -69.935 -22.861 1.00129.79 C +ATOM 16 C PRO B 3 -0.109 -68.779 -21.853 1.00129.79 C +ATOM 17 O PRO B 3 0.423 -67.704 -22.147 1.00129.79 O +ATOM 18 CB PRO B 3 -1.528 -70.124 -23.485 1.00129.79 C +ATOM 19 CG PRO B 3 -2.146 -71.174 -22.603 1.00129.79 C +ATOM 20 CD PRO B 3 -1.014 -72.161 -22.434 1.00129.79 C +ATOM 21 N LEU B 4 -0.687 -69.002 -20.676 1.00129.79 N +ATOM 22 CA LEU B 4 -0.706 -67.979 -19.638 1.00129.79 C +ATOM 23 C LEU B 4 0.284 -68.373 -18.567 1.00129.79 C +ATOM 24 O LEU B 4 0.893 -69.440 -18.621 1.00129.79 O +ATOM 25 CB LEU B 4 -2.081 -67.875 -18.971 1.00129.79 C +ATOM 26 CG LEU B 4 -3.376 -67.811 -19.774 1.00129.79 C +ATOM 27 CD1 LEU B 4 -3.662 -69.168 -20.399 1.00129.79 C +ATOM 28 CD2 LEU B 4 -4.518 -67.412 -18.848 1.00129.79 C +ATOM 29 N ARG B 5 0.425 -67.490 -17.591 1.00129.79 N +ATOM 30 CA ARG B 5 1.289 -67.703 -16.445 1.00129.79 C +ATOM 31 C ARG B 5 0.988 -66.593 -15.479 1.00129.79 C +ATOM 32 O ARG B 5 1.739 -65.636 -15.336 1.00129.79 O +ATOM 33 CB ARG B 5 2.774 -67.709 -16.826 1.00129.79 C +ATOM 34 CG ARG B 5 3.308 -69.103 -17.167 1.00129.79 C +ATOM 35 CD ARG B 5 3.184 -70.087 -15.990 1.00129.79 C +ATOM 36 NE ARG B 5 1.929 -69.932 -15.257 1.00129.79 N +ATOM 37 CZ ARG B 5 1.258 -70.921 -14.676 1.00129.79 C +ATOM 38 NH1 ARG B 5 1.708 -72.166 -14.733 1.00129.79 N +ATOM 39 NH2 ARG B 5 0.127 -70.660 -14.033 1.00129.79 N +ATOM 40 N LYS B 6 -0.163 -66.719 -14.847 1.00112.44 N +ATOM 41 CA LYS B 6 -0.596 -65.746 -13.878 1.00112.44 C +ATOM 42 C LYS B 6 -0.545 -66.480 -12.540 1.00112.44 C +ATOM 43 O LYS B 6 -1.093 -67.571 -12.394 1.00112.44 O +ATOM 44 CB LYS B 6 -2.015 -65.275 -14.213 1.00129.79 C +ATOM 45 CG LYS B 6 -2.178 -64.593 -15.579 1.00129.79 C +ATOM 46 CD LYS B 6 -3.661 -64.331 -15.878 1.00129.79 C +ATOM 47 CE LYS B 6 -3.901 -63.906 -17.324 1.00129.79 C +ATOM 48 NZ LYS B 6 -5.355 -63.810 -17.635 1.00129.79 N +ATOM 49 N THR B 7 0.142 -65.891 -11.572 1.00129.79 N +ATOM 50 CA THR B 7 0.266 -66.507 -10.265 1.00129.79 C +ATOM 51 C THR B 7 0.369 -65.434 -9.195 1.00129.79 C +ATOM 52 O THR B 7 0.736 -64.296 -9.486 1.00129.79 O +ATOM 53 CB THR B 7 1.503 -67.409 -10.233 1.00102.18 C +ATOM 54 OG1 THR B 7 1.311 -68.485 -11.158 1.00102.18 O +ATOM 55 CG2 THR B 7 1.735 -67.976 -8.841 1.00102.18 C +ATOM 56 N TYR B 8 0.028 -65.790 -7.960 1.00112.06 N +ATOM 57 CA TYR B 8 0.095 -64.830 -6.876 1.00112.06 C +ATOM 58 C TYR B 8 1.538 -64.531 -6.528 1.00112.06 C +ATOM 59 O TYR B 8 2.143 -65.137 -5.650 1.00112.06 O +ATOM 60 CB TYR B 8 -0.675 -65.333 -5.659 1.00 95.10 C +ATOM 61 CG TYR B 8 -2.169 -65.253 -5.842 1.00 95.10 C +ATOM 62 CD1 TYR B 8 -2.901 -66.360 -6.266 1.00 95.10 C +ATOM 63 CD2 TYR B 8 -2.852 -64.065 -5.606 1.00 95.10 C +ATOM 64 CE1 TYR B 8 -4.279 -66.290 -6.448 1.00 95.10 C +ATOM 65 CE2 TYR B 8 -4.227 -63.980 -5.783 1.00 95.10 C +ATOM 66 CZ TYR B 8 -4.937 -65.097 -6.206 1.00 95.10 C +ATOM 67 OH TYR B 8 -6.308 -65.021 -6.383 1.00 95.10 O +ATOM 68 N VAL B 9 2.084 -63.575 -7.254 1.00 74.50 N +ATOM 69 CA VAL B 9 3.449 -63.163 -7.073 1.00 74.50 C +ATOM 70 C VAL B 9 3.668 -62.440 -5.768 1.00 74.50 C +ATOM 71 O VAL B 9 2.911 -61.553 -5.406 1.00 74.50 O +ATOM 72 CB VAL B 9 3.862 -62.231 -8.198 1.00 67.16 C +ATOM 73 CG1 VAL B 9 5.308 -61.774 -8.007 1.00 67.16 C +ATOM 74 CG2 VAL B 9 3.655 -62.943 -9.524 1.00 67.16 C +ATOM 75 N LEU B 10 4.714 -62.837 -5.061 1.00 74.58 N +ATOM 76 CA LEU B 10 5.070 -62.195 -3.808 1.00 74.58 C +ATOM 77 C LEU B 10 6.244 -61.290 -4.130 1.00 74.58 C +ATOM 78 O LEU B 10 7.369 -61.755 -4.304 1.00 74.58 O +ATOM 79 CB LEU B 10 5.486 -63.221 -2.757 1.00 73.05 C +ATOM 80 CG LEU B 10 6.028 -62.600 -1.470 1.00 73.05 C +ATOM 81 CD1 LEU B 10 5.005 -61.665 -0.868 1.00 73.05 C +ATOM 82 CD2 LEU B 10 6.379 -63.695 -0.503 1.00 73.05 C +ATOM 83 N LYS B 11 5.965 -59.997 -4.224 1.00 71.24 N +ATOM 84 CA LYS B 11 6.980 -59.016 -4.546 1.00 71.24 C +ATOM 85 C LYS B 11 7.639 -58.483 -3.296 1.00 71.24 C +ATOM 86 O LYS B 11 6.969 -58.116 -2.339 1.00 71.24 O +ATOM 87 CB LYS B 11 6.366 -57.839 -5.290 1.00 82.39 C +ATOM 88 CG LYS B 11 5.675 -58.163 -6.596 1.00 82.39 C +ATOM 89 CD LYS B 11 5.077 -56.872 -7.169 1.00 82.39 C +ATOM 90 CE LYS B 11 4.413 -57.071 -8.524 1.00 82.39 C +ATOM 91 NZ LYS B 11 5.380 -57.465 -9.590 1.00 82.39 N +ATOM 92 N LEU B 12 8.962 -58.435 -3.316 1.00 94.05 N +ATOM 93 CA LEU B 12 9.723 -57.905 -2.202 1.00 94.05 C +ATOM 94 C LEU B 12 10.453 -56.663 -2.703 1.00 94.05 C +ATOM 95 O LEU B 12 10.985 -56.655 -3.810 1.00 94.05 O +ATOM 96 CB LEU B 12 10.710 -58.956 -1.681 1.00 78.35 C +ATOM 97 CG LEU B 12 10.171 -59.864 -0.567 1.00 78.35 C +ATOM 98 CD1 LEU B 12 8.920 -60.566 -1.044 1.00 78.35 C +ATOM 99 CD2 LEU B 12 11.223 -60.875 -0.154 1.00 78.35 C +ATOM 100 N TYR B 13 10.438 -55.599 -1.906 1.00 80.83 N +ATOM 101 CA TYR B 13 11.104 -54.358 -2.273 1.00 80.83 C +ATOM 102 C TYR B 13 12.241 -54.111 -1.306 1.00 80.83 C +ATOM 103 O TYR B 13 12.028 -53.881 -0.116 1.00 80.83 O +ATOM 104 CB TYR B 13 10.117 -53.198 -2.236 1.00 65.57 C +ATOM 105 CG TYR B 13 8.998 -53.363 -3.220 1.00 65.57 C +ATOM 106 CD1 TYR B 13 7.855 -54.103 -2.892 1.00 65.57 C +ATOM 107 CD2 TYR B 13 9.089 -52.820 -4.503 1.00 65.57 C +ATOM 108 CE1 TYR B 13 6.844 -54.299 -3.817 1.00 65.57 C +ATOM 109 CE2 TYR B 13 8.071 -53.011 -5.432 1.00 65.57 C +ATOM 110 CZ TYR B 13 6.959 -53.746 -5.077 1.00 65.57 C +ATOM 111 OH TYR B 13 5.936 -53.910 -5.959 1.00 65.57 O +ATOM 112 N VAL B 14 13.462 -54.166 -1.817 1.00 58.85 N +ATOM 113 CA VAL B 14 14.615 -53.979 -0.944 1.00 58.85 C +ATOM 114 C VAL B 14 15.512 -52.829 -1.338 1.00 58.85 C +ATOM 115 O VAL B 14 15.628 -52.478 -2.505 1.00 58.85 O +ATOM 116 CB VAL B 14 15.491 -55.248 -0.885 1.00 62.13 C +ATOM 117 CG1 VAL B 14 14.693 -56.418 -0.313 1.00 62.13 C +ATOM 118 CG2 VAL B 14 15.981 -55.583 -2.264 1.00 62.13 C +ATOM 119 N ALA B 15 16.130 -52.230 -0.335 1.00 81.48 N +ATOM 120 CA ALA B 15 17.068 -51.148 -0.559 1.00 81.48 C +ATOM 121 C ALA B 15 18.424 -51.851 -0.475 1.00 81.48 C +ATOM 122 O ALA B 15 18.814 -52.345 0.584 1.00 81.48 O +ATOM 123 CB ALA B 15 16.930 -50.095 0.537 1.00 77.20 C +ATOM 124 N GLY B 16 19.113 -51.941 -1.603 1.00122.75 N +ATOM 125 CA GLY B 16 20.403 -52.603 -1.613 1.00122.75 C +ATOM 126 C GLY B 16 20.312 -54.116 -1.667 1.00122.75 C +ATOM 127 O GLY B 16 19.227 -54.688 -1.745 1.00122.75 O +ATOM 128 N ASN B 17 21.467 -54.768 -1.616 1.00127.11 N +ATOM 129 CA ASN B 17 21.526 -56.220 -1.670 1.00127.11 C +ATOM 130 C ASN B 17 22.838 -56.740 -1.091 1.00127.11 C +ATOM 131 O ASN B 17 23.832 -56.885 -1.806 1.00127.11 O +ATOM 132 CB ASN B 17 21.362 -56.682 -3.122 1.00129.79 C +ATOM 133 CG ASN B 17 22.143 -55.817 -4.101 1.00129.79 C +ATOM 134 OD1 ASN B 17 23.373 -55.817 -4.102 1.00129.79 O +ATOM 135 ND2 ASN B 17 21.424 -55.066 -4.935 1.00129.79 N +ATOM 136 N THR B 18 22.830 -57.026 0.208 1.00129.79 N +ATOM 137 CA THR B 18 24.018 -57.526 0.895 1.00129.79 C +ATOM 138 C THR B 18 24.163 -59.038 0.762 1.00129.79 C +ATOM 139 O THR B 18 23.208 -59.780 0.999 1.00129.79 O +ATOM 140 CB THR B 18 23.977 -57.218 2.404 1.00 78.69 C +ATOM 141 OG1 THR B 18 23.162 -58.195 3.072 1.00 78.69 O +ATOM 142 CG2 THR B 18 23.415 -55.816 2.648 1.00 78.69 C +ATOM 143 N PRO B 19 25.363 -59.514 0.381 1.00129.79 N +ATOM 144 CA PRO B 19 25.613 -60.953 0.230 1.00129.79 C +ATOM 145 C PRO B 19 25.347 -61.678 1.552 1.00129.79 C +ATOM 146 O PRO B 19 26.216 -61.794 2.416 1.00129.79 O +ATOM 147 CB PRO B 19 27.080 -61.009 -0.215 1.00129.79 C +ATOM 148 CG PRO B 19 27.666 -59.743 0.337 1.00129.79 C +ATOM 149 CD PRO B 19 26.573 -58.739 0.057 1.00129.79 C +ATOM 150 N ASN B 20 24.116 -62.153 1.685 1.00105.99 N +ATOM 151 CA ASN B 20 23.626 -62.844 2.871 1.00105.99 C +ATOM 152 C ASN B 20 22.111 -62.798 2.683 1.00105.99 C +ATOM 153 O ASN B 20 21.395 -63.773 2.916 1.00105.99 O +ATOM 154 CB ASN B 20 24.004 -62.076 4.134 1.00 97.46 C +ATOM 155 CG ASN B 20 23.450 -62.714 5.383 1.00 97.46 C +ATOM 156 OD1 ASN B 20 24.012 -63.677 5.896 1.00 97.46 O +ATOM 157 ND2 ASN B 20 22.329 -62.192 5.872 1.00 97.46 N +ATOM 158 N SER B 21 21.637 -61.635 2.251 1.00 93.10 N +ATOM 159 CA SER B 21 20.229 -61.431 1.982 1.00 93.10 C +ATOM 160 C SER B 21 20.001 -62.099 0.644 1.00 93.10 C +ATOM 161 O SER B 21 18.937 -62.644 0.382 1.00 93.10 O +ATOM 162 CB SER B 21 19.930 -59.946 1.860 1.00118.43 C +ATOM 163 OG SER B 21 20.614 -59.391 0.751 1.00118.43 O +ATOM 164 N VAL B 22 21.019 -62.046 -0.204 1.00 83.13 N +ATOM 165 CA VAL B 22 20.945 -62.656 -1.523 1.00 83.13 C +ATOM 166 C VAL B 22 20.845 -64.175 -1.363 1.00 83.13 C +ATOM 167 O VAL B 22 20.223 -64.868 -2.180 1.00 83.13 O +ATOM 168 CB VAL B 22 22.192 -62.312 -2.361 1.00105.49 C +ATOM 169 CG1 VAL B 22 21.905 -62.550 -3.841 1.00105.49 C +ATOM 170 CG2 VAL B 22 22.604 -60.866 -2.105 1.00105.49 C +ATOM 171 N ARG B 23 21.467 -64.692 -0.309 1.00 91.00 N +ATOM 172 CA ARG B 23 21.407 -66.122 -0.047 1.00 91.00 C +ATOM 173 C ARG B 23 19.959 -66.407 0.335 1.00 91.00 C +ATOM 174 O ARG B 23 19.254 -67.147 -0.351 1.00 91.00 O +ATOM 175 CB ARG B 23 22.307 -66.498 1.125 1.00125.34 C +ATOM 176 CG ARG B 23 23.763 -66.120 0.973 1.00125.34 C +ATOM 177 CD ARG B 23 24.455 -66.387 2.290 1.00125.34 C +ATOM 178 NE ARG B 23 25.782 -65.797 2.378 1.00125.34 N +ATOM 179 CZ ARG B 23 26.449 -65.675 3.519 1.00125.34 C +ATOM 180 NH1 ARG B 23 25.898 -66.103 4.646 1.00125.34 N +ATOM 181 NH2 ARG B 23 27.656 -65.128 3.538 1.00125.34 N +ATOM 182 N ALA B 24 19.529 -65.793 1.435 1.00 91.67 N +ATOM 183 CA ALA B 24 18.166 -65.955 1.941 1.00 91.67 C +ATOM 184 C ALA B 24 17.106 -65.740 0.858 1.00 91.67 C +ATOM 185 O ALA B 24 16.078 -66.415 0.846 1.00 91.67 O +ATOM 186 CB ALA B 24 17.927 -64.988 3.115 1.00 60.63 C +ATOM 187 N LEU B 25 17.341 -64.794 -0.041 1.00 82.39 N +ATOM 188 CA LEU B 25 16.374 -64.571 -1.093 1.00 82.39 C +ATOM 189 C LEU B 25 16.357 -65.807 -1.973 1.00 82.39 C +ATOM 190 O LEU B 25 15.293 -66.266 -2.392 1.00 82.39 O +ATOM 191 CB LEU B 25 16.721 -63.326 -1.896 1.00 75.11 C +ATOM 192 CG LEU B 25 16.406 -61.998 -1.193 1.00 75.11 C +ATOM 193 CD1 LEU B 25 16.719 -60.845 -2.156 1.00 75.11 C +ATOM 194 CD2 LEU B 25 14.951 -61.949 -0.764 1.00 75.11 C +ATOM 195 N LYS B 26 17.531 -66.362 -2.244 1.00 89.88 N +ATOM 196 CA LYS B 26 17.585 -67.575 -3.045 1.00 89.88 C +ATOM 197 C LYS B 26 16.887 -68.696 -2.269 1.00 89.88 C +ATOM 198 O LYS B 26 16.144 -69.482 -2.847 1.00 89.88 O +ATOM 199 CB LYS B 26 19.037 -67.967 -3.351 1.00103.25 C +ATOM 200 CG LYS B 26 19.717 -67.100 -4.401 1.00103.25 C +ATOM 201 CD LYS B 26 21.051 -67.693 -4.839 1.00103.25 C +ATOM 202 CE LYS B 26 21.753 -66.810 -5.861 1.00103.25 C +ATOM 203 NZ LYS B 26 23.109 -67.322 -6.180 1.00103.25 N +ATOM 204 N THR B 27 17.127 -68.748 -0.958 1.00 72.34 N +ATOM 205 CA THR B 27 16.530 -69.753 -0.075 1.00 72.34 C +ATOM 206 C THR B 27 15.017 -69.676 -0.193 1.00 72.34 C +ATOM 207 O THR B 27 14.382 -70.601 -0.691 1.00 72.34 O +ATOM 208 CB THR B 27 16.903 -69.512 1.410 1.00 86.08 C +ATOM 209 OG1 THR B 27 18.326 -69.452 1.546 1.00 86.08 O +ATOM 210 CG2 THR B 27 16.372 -70.631 2.285 1.00 86.08 C +ATOM 211 N LEU B 28 14.446 -68.572 0.278 1.00101.72 N +ATOM 212 CA LEU B 28 13.006 -68.354 0.211 1.00101.72 C +ATOM 213 C LEU B 28 12.460 -68.674 -1.181 1.00101.72 C +ATOM 214 O LEU B 28 11.335 -69.159 -1.322 1.00101.72 O +ATOM 215 CB LEU B 28 12.688 -66.899 0.583 1.00 81.28 C +ATOM 216 CG LEU B 28 11.377 -66.252 0.120 1.00 81.28 C +ATOM 217 CD1 LEU B 28 10.200 -67.063 0.568 1.00 81.28 C +ATOM 218 CD2 LEU B 28 11.287 -64.862 0.685 1.00 81.28 C +ATOM 219 N ASN B 29 13.258 -68.410 -2.211 1.00 92.23 N +ATOM 220 CA ASN B 29 12.828 -68.688 -3.571 1.00 92.23 C +ATOM 221 C ASN B 29 12.565 -70.170 -3.802 1.00 92.23 C +ATOM 222 O ASN B 29 11.802 -70.525 -4.697 1.00 92.23 O +ATOM 223 CB ASN B 29 13.864 -68.218 -4.585 1.00 92.14 C +ATOM 224 CG ASN B 29 13.391 -68.409 -6.022 1.00 92.14 C +ATOM 225 OD1 ASN B 29 14.182 -68.721 -6.913 1.00 92.14 O +ATOM 226 ND2 ASN B 29 12.095 -68.213 -6.252 1.00 92.14 N +ATOM 227 N ASN B 30 13.204 -71.043 -3.027 1.00 86.75 N +ATOM 228 CA ASN B 30 12.961 -72.468 -3.213 1.00 86.75 C +ATOM 229 C ASN B 30 11.884 -72.982 -2.258 1.00 86.75 C +ATOM 230 O ASN B 30 11.096 -73.861 -2.626 1.00 86.75 O +ATOM 231 CB ASN B 30 14.264 -73.294 -3.095 1.00129.79 C +ATOM 232 CG ASN B 30 14.921 -73.211 -1.722 1.00129.79 C +ATOM 233 OD1 ASN B 30 14.290 -73.452 -0.692 1.00129.79 O +ATOM 234 ND2 ASN B 30 16.211 -72.895 -1.711 1.00129.79 N +ATOM 235 N ILE B 31 11.828 -72.419 -1.050 1.00 77.59 N +ATOM 236 CA ILE B 31 10.819 -72.810 -0.062 1.00 77.59 C +ATOM 237 C ILE B 31 9.448 -72.679 -0.741 1.00 77.59 C +ATOM 238 O ILE B 31 8.458 -73.279 -0.323 1.00 77.59 O +ATOM 239 CB ILE B 31 10.823 -71.854 1.157 1.00100.57 C +ATOM 240 CG1 ILE B 31 12.257 -71.449 1.509 1.00100.57 C +ATOM 241 CG2 ILE B 31 10.137 -72.514 2.350 1.00100.57 C +ATOM 242 CD1 ILE B 31 13.098 -72.540 2.116 1.00100.57 C +ATOM 243 N LEU B 32 9.414 -71.874 -1.795 1.00103.85 N +ATOM 244 CA LEU B 32 8.193 -71.625 -2.536 1.00103.85 C +ATOM 245 C LEU B 32 7.950 -72.632 -3.652 1.00103.85 C +ATOM 246 O LEU B 32 6.971 -73.376 -3.615 1.00103.85 O +ATOM 247 CB LEU B 32 8.224 -70.209 -3.116 1.00100.91 C +ATOM 248 CG LEU B 32 8.196 -69.043 -2.127 1.00100.91 C +ATOM 249 CD1 LEU B 32 8.598 -67.760 -2.836 1.00100.91 C +ATOM 250 CD2 LEU B 32 6.811 -68.918 -1.524 1.00100.91 C +ATOM 251 N GLU B 33 8.827 -72.650 -4.650 1.00101.87 N +ATOM 252 CA GLU B 33 8.667 -73.576 -5.763 1.00101.87 C +ATOM 253 C GLU B 33 8.613 -75.009 -5.251 1.00101.87 C +ATOM 254 O GLU B 33 8.243 -75.931 -5.983 1.00101.87 O +ATOM 255 CB GLU B 33 9.820 -73.425 -6.746 1.00129.79 C +ATOM 256 CG GLU B 33 9.932 -72.041 -7.343 1.00129.79 C +ATOM 257 CD GLU B 33 11.086 -71.923 -8.317 1.00129.79 C +ATOM 258 OE1 GLU B 33 12.246 -72.131 -7.896 1.00129.79 O +ATOM 259 OE2 GLU B 33 10.832 -71.623 -9.504 1.00129.79 O +ATOM 260 N LYS B 34 8.988 -75.181 -3.986 1.00111.00 N +ATOM 261 CA LYS B 34 8.990 -76.483 -3.327 1.00111.00 C +ATOM 262 C LYS B 34 7.598 -76.802 -2.793 1.00111.00 C +ATOM 263 O LYS B 34 6.810 -77.505 -3.432 1.00111.00 O +ATOM 264 CB LYS B 34 10.002 -76.463 -2.171 1.00107.68 C +ATOM 265 CG LYS B 34 9.917 -77.619 -1.180 1.00107.68 C +ATOM 266 CD LYS B 34 10.869 -77.390 -0.007 1.00107.68 C +ATOM 267 CE LYS B 34 10.706 -78.457 1.062 1.00107.68 C +ATOM 268 NZ LYS B 34 11.025 -79.822 0.553 1.00107.68 N +ATOM 269 N GLU B 35 7.304 -76.255 -1.620 1.00107.98 N +ATOM 270 CA GLU B 35 6.034 -76.470 -0.952 1.00107.98 C +ATOM 271 C GLU B 35 4.808 -75.897 -1.679 1.00107.98 C +ATOM 272 O GLU B 35 3.683 -76.346 -1.461 1.00107.98 O +ATOM 273 CB GLU B 35 6.135 -75.918 0.475 1.00125.16 C +ATOM 274 CG GLU B 35 7.156 -76.666 1.339 1.00125.16 C +ATOM 275 CD GLU B 35 7.457 -75.970 2.657 1.00125.16 C +ATOM 276 OE1 GLU B 35 6.506 -75.538 3.345 1.00125.16 O +ATOM 277 OE2 GLU B 35 8.650 -75.865 3.012 1.00125.16 O +ATOM 278 N PHE B 36 5.014 -74.917 -2.549 1.00102.95 N +ATOM 279 CA PHE B 36 3.893 -74.325 -3.265 1.00102.95 C +ATOM 280 C PHE B 36 4.191 -74.149 -4.738 1.00102.95 C +ATOM 281 O PHE B 36 3.994 -73.080 -5.322 1.00102.95 O +ATOM 282 CB PHE B 36 3.518 -72.991 -2.634 1.00 89.36 C +ATOM 283 CG PHE B 36 3.099 -73.114 -1.207 1.00 89.36 C +ATOM 284 CD1 PHE B 36 4.038 -73.016 -0.184 1.00 89.36 C +ATOM 285 CD2 PHE B 36 1.772 -73.366 -0.886 1.00 89.36 C +ATOM 286 CE1 PHE B 36 3.662 -73.183 1.137 1.00 89.36 C +ATOM 287 CE2 PHE B 36 1.389 -73.535 0.430 1.00 89.36 C +ATOM 288 CZ PHE B 36 2.336 -73.437 1.445 1.00 89.36 C +ATOM 289 N LYS B 37 4.678 -75.233 -5.322 1.00128.97 N +ATOM 290 CA LYS B 37 5.020 -75.299 -6.730 1.00128.97 C +ATOM 291 C LYS B 37 3.842 -74.837 -7.566 1.00128.97 C +ATOM 292 O LYS B 37 2.861 -75.562 -7.726 1.00128.97 O +ATOM 293 CB LYS B 37 5.385 -76.740 -7.068 1.00122.36 C +ATOM 294 CG LYS B 37 4.608 -77.744 -6.210 1.00122.36 C +ATOM 295 CD LYS B 37 5.212 -79.139 -6.234 1.00122.36 C +ATOM 296 CE LYS B 37 4.461 -80.054 -5.281 1.00122.36 C +ATOM 297 NZ LYS B 37 4.986 -81.444 -5.309 1.00122.36 N +ATOM 298 N GLY B 38 3.935 -73.614 -8.076 1.00122.84 N +ATOM 299 CA GLY B 38 2.871 -73.076 -8.903 1.00122.84 C +ATOM 300 C GLY B 38 1.981 -72.020 -8.266 1.00122.84 C +ATOM 301 O GLY B 38 1.533 -71.095 -8.944 1.00122.84 O +ATOM 302 N VAL B 39 1.722 -72.144 -6.969 1.00100.93 N +ATOM 303 CA VAL B 39 0.863 -71.190 -6.277 1.00100.93 C +ATOM 304 C VAL B 39 1.506 -69.809 -6.097 1.00100.93 C +ATOM 305 O VAL B 39 0.829 -68.782 -6.188 1.00100.93 O +ATOM 306 CB VAL B 39 0.443 -71.733 -4.900 1.00 89.07 C +ATOM 307 CG1 VAL B 39 -0.991 -71.309 -4.595 1.00 89.07 C +ATOM 308 CG2 VAL B 39 0.569 -73.243 -4.877 1.00 89.07 C +ATOM 309 N TYR B 40 2.808 -69.776 -5.838 1.00 80.46 N +ATOM 310 CA TYR B 40 3.483 -68.501 -5.673 1.00 80.46 C +ATOM 311 C TYR B 40 4.687 -68.382 -6.571 1.00 80.46 C +ATOM 312 O TYR B 40 5.069 -69.327 -7.261 1.00 80.46 O +ATOM 313 CB TYR B 40 3.963 -68.299 -4.240 1.00 78.47 C +ATOM 314 CG TYR B 40 2.881 -68.354 -3.221 1.00 78.47 C +ATOM 315 CD1 TYR B 40 2.624 -69.518 -2.535 1.00 78.47 C +ATOM 316 CD2 TYR B 40 2.098 -67.239 -2.953 1.00 78.47 C +ATOM 317 CE1 TYR B 40 1.608 -69.581 -1.610 1.00 78.47 C +ATOM 318 CE2 TYR B 40 1.074 -67.290 -2.028 1.00 78.47 C +ATOM 319 CZ TYR B 40 0.836 -68.466 -1.358 1.00 78.47 C +ATOM 320 OH TYR B 40 -0.188 -68.562 -0.445 1.00 78.47 O +ATOM 321 N ALA B 41 5.275 -67.193 -6.528 1.00 81.16 N +ATOM 322 CA ALA B 41 6.465 -66.852 -7.281 1.00 81.16 C +ATOM 323 C ALA B 41 7.117 -65.685 -6.549 1.00 81.16 C +ATOM 324 O ALA B 41 6.433 -64.760 -6.112 1.00 81.16 O +ATOM 325 CB ALA B 41 6.111 -66.443 -8.710 1.00 60.25 C +ATOM 326 N LEU B 42 8.434 -65.737 -6.389 1.00 82.71 N +ATOM 327 CA LEU B 42 9.116 -64.657 -5.719 1.00 82.71 C +ATOM 328 C LEU B 42 9.449 -63.663 -6.794 1.00 82.71 C +ATOM 329 O LEU B 42 9.481 -64.003 -7.971 1.00 82.71 O +ATOM 330 CB LEU B 42 10.397 -65.130 -5.045 1.00 80.01 C +ATOM 331 CG LEU B 42 11.056 -63.996 -4.263 1.00 80.01 C +ATOM 332 CD1 LEU B 42 10.074 -63.463 -3.220 1.00 80.01 C +ATOM 333 CD2 LEU B 42 12.342 -64.479 -3.622 1.00 80.01 C +ATOM 334 N LYS B 43 9.674 -62.427 -6.379 1.00 94.30 N +ATOM 335 CA LYS B 43 10.007 -61.349 -7.289 1.00 94.30 C +ATOM 336 C LYS B 43 10.583 -60.248 -6.407 1.00 94.30 C +ATOM 337 O LYS B 43 9.893 -59.656 -5.585 1.00 94.30 O +ATOM 338 CB LYS B 43 8.746 -60.879 -8.008 1.00 82.21 C +ATOM 339 CG LYS B 43 8.984 -60.224 -9.360 1.00 82.21 C +ATOM 340 CD LYS B 43 9.605 -58.848 -9.247 1.00 82.21 C +ATOM 341 CE LYS B 43 9.594 -58.164 -10.596 1.00 82.21 C +ATOM 342 NZ LYS B 43 8.237 -58.250 -11.204 1.00 82.21 N +ATOM 343 N VAL B 44 11.869 -60.001 -6.556 1.00 79.87 N +ATOM 344 CA VAL B 44 12.532 -58.991 -5.765 1.00 79.87 C +ATOM 345 C VAL B 44 12.682 -57.722 -6.587 1.00 79.87 C +ATOM 346 O VAL B 44 12.915 -57.768 -7.801 1.00 79.87 O +ATOM 347 CB VAL B 44 13.942 -59.475 -5.325 1.00 72.24 C +ATOM 348 CG1 VAL B 44 14.728 -58.339 -4.738 1.00 72.24 C +ATOM 349 CG2 VAL B 44 13.822 -60.602 -4.306 1.00 72.24 C +ATOM 350 N ILE B 45 12.513 -56.582 -5.935 1.00 71.51 N +ATOM 351 CA ILE B 45 12.698 -55.317 -6.616 1.00 71.51 C +ATOM 352 C ILE B 45 13.634 -54.493 -5.755 1.00 71.51 C +ATOM 353 O ILE B 45 13.312 -54.117 -4.624 1.00 71.51 O +ATOM 354 CB ILE B 45 11.373 -54.558 -6.850 1.00 71.73 C +ATOM 355 CG1 ILE B 45 10.412 -55.448 -7.646 1.00 71.73 C +ATOM 356 CG2 ILE B 45 11.639 -53.288 -7.643 1.00 71.73 C +ATOM 357 CD1 ILE B 45 9.063 -54.818 -7.940 1.00 71.73 C +ATOM 358 N ASP B 46 14.826 -54.265 -6.284 1.00 82.98 N +ATOM 359 CA ASP B 46 15.802 -53.475 -5.582 1.00 82.98 C +ATOM 360 C ASP B 46 15.519 -52.044 -6.006 1.00 82.98 C +ATOM 361 O ASP B 46 15.621 -51.693 -7.184 1.00 82.98 O +ATOM 362 CB ASP B 46 17.217 -53.884 -5.986 1.00103.39 C +ATOM 363 CG ASP B 46 18.283 -53.225 -5.128 1.00103.39 C +ATOM 364 OD1 ASP B 46 18.717 -53.842 -4.129 1.00103.39 O +ATOM 365 OD2 ASP B 46 18.677 -52.081 -5.451 1.00103.39 O +ATOM 366 N VAL B 47 15.138 -51.230 -5.032 1.00 92.86 N +ATOM 367 CA VAL B 47 14.819 -49.835 -5.265 1.00 92.86 C +ATOM 368 C VAL B 47 16.044 -49.041 -5.676 1.00 92.86 C +ATOM 369 O VAL B 47 15.917 -48.008 -6.324 1.00 92.86 O +ATOM 370 CB VAL B 47 14.216 -49.204 -4.006 1.00104.03 C +ATOM 371 CG1 VAL B 47 13.941 -47.742 -4.244 1.00104.03 C +ATOM 372 CG2 VAL B 47 12.940 -49.933 -3.629 1.00104.03 C +ATOM 373 N LEU B 48 17.231 -49.512 -5.303 1.00 90.19 N +ATOM 374 CA LEU B 48 18.457 -48.806 -5.662 1.00 90.19 C +ATOM 375 C LEU B 48 18.726 -48.894 -7.152 1.00 90.19 C +ATOM 376 O LEU B 48 19.306 -47.988 -7.747 1.00 90.19 O +ATOM 377 CB LEU B 48 19.637 -49.364 -4.879 1.00 88.61 C +ATOM 378 CG LEU B 48 19.941 -48.650 -3.558 1.00 88.61 C +ATOM 379 CD1 LEU B 48 18.667 -48.406 -2.755 1.00 88.61 C +ATOM 380 CD2 LEU B 48 20.918 -49.494 -2.758 1.00 88.61 C +ATOM 381 N LYS B 49 18.290 -49.987 -7.760 1.00 91.82 N +ATOM 382 CA LYS B 49 18.471 -50.175 -9.189 1.00 91.82 C +ATOM 383 C LYS B 49 17.238 -49.654 -9.913 1.00 91.82 C +ATOM 384 O LYS B 49 17.314 -49.260 -11.077 1.00 91.82 O +ATOM 385 CB LYS B 49 18.651 -51.657 -9.514 1.00 85.02 C +ATOM 386 CG LYS B 49 19.098 -51.909 -10.940 1.00 85.02 C +ATOM 387 CD LYS B 49 18.983 -53.378 -11.323 1.00 85.02 C +ATOM 388 CE LYS B 49 19.644 -53.664 -12.667 1.00 85.02 C +ATOM 389 NZ LYS B 49 19.304 -52.650 -13.711 1.00 85.02 N +ATOM 390 N ASN B 50 16.105 -49.645 -9.216 1.00103.83 N +ATOM 391 CA ASN B 50 14.853 -49.193 -9.808 1.00103.83 C +ATOM 392 C ASN B 50 14.027 -48.390 -8.803 1.00103.83 C +ATOM 393 O ASN B 50 13.085 -48.907 -8.200 1.00103.83 O +ATOM 394 CB ASN B 50 14.064 -50.412 -10.286 1.00103.41 C +ATOM 395 CG ASN B 50 14.947 -51.440 -10.980 1.00103.41 C +ATOM 396 OD1 ASN B 50 15.571 -51.146 -11.994 1.00103.41 O +ATOM 397 ND2 ASN B 50 15.009 -52.649 -10.428 1.00103.41 N +ATOM 398 N PRO B 51 14.376 -47.108 -8.608 1.00 90.50 N +ATOM 399 CA PRO B 51 13.681 -46.213 -7.676 1.00 90.50 C +ATOM 400 C PRO B 51 12.233 -45.955 -8.083 1.00 90.50 C +ATOM 401 O PRO B 51 11.308 -46.167 -7.306 1.00 90.50 O +ATOM 402 CB PRO B 51 14.516 -44.933 -7.736 1.00 87.68 C +ATOM 403 CG PRO B 51 15.853 -45.416 -8.087 1.00 87.68 C +ATOM 404 CD PRO B 51 15.559 -46.439 -9.158 1.00 87.68 C +ATOM 405 N GLN B 52 12.052 -45.488 -9.312 1.00 91.60 N +ATOM 406 CA GLN B 52 10.733 -45.183 -9.834 1.00 91.60 C +ATOM 407 C GLN B 52 9.821 -46.409 -9.880 1.00 91.60 C +ATOM 408 O GLN B 52 10.126 -47.394 -10.549 1.00 91.60 O +ATOM 409 CB GLN B 52 10.870 -44.575 -11.228 1.00102.17 C +ATOM 410 CG GLN B 52 11.281 -43.105 -11.257 1.00102.17 C +ATOM 411 CD GLN B 52 12.567 -42.809 -10.505 1.00102.17 C +ATOM 412 OE1 GLN B 52 12.549 -42.440 -9.329 1.00102.17 O +ATOM 413 NE2 GLN B 52 13.694 -42.976 -11.184 1.00102.17 N +ATOM 414 N LEU B 53 8.703 -46.338 -9.160 1.00 94.00 N +ATOM 415 CA LEU B 53 7.724 -47.425 -9.104 1.00 94.00 C +ATOM 416 C LEU B 53 6.789 -47.340 -10.282 1.00 94.00 C +ATOM 417 O LEU B 53 6.438 -46.249 -10.711 1.00 94.00 O +ATOM 418 CB LEU B 53 6.878 -47.337 -7.831 1.00112.79 C +ATOM 419 CG LEU B 53 7.360 -47.996 -6.542 1.00112.79 C +ATOM 420 CD1 LEU B 53 8.804 -47.647 -6.314 1.00112.79 C +ATOM 421 CD2 LEU B 53 6.494 -47.538 -5.377 1.00112.79 C +ATOM 422 N ALA B 54 6.372 -48.488 -10.796 1.00 90.60 N +ATOM 423 CA ALA B 54 5.444 -48.516 -11.916 1.00 90.60 C +ATOM 424 C ALA B 54 4.006 -48.426 -11.374 1.00 90.60 C +ATOM 425 O ALA B 54 3.688 -49.043 -10.355 1.00 90.60 O +ATOM 426 CB ALA B 54 5.635 -49.800 -12.701 1.00 82.64 C +ATOM 427 N GLU B 55 3.147 -47.661 -12.052 1.00 95.86 N +ATOM 428 CA GLU B 55 1.754 -47.487 -11.642 1.00 95.86 C +ATOM 429 C GLU B 55 1.172 -48.630 -10.799 1.00 95.86 C +ATOM 430 O GLU B 55 0.636 -48.395 -9.710 1.00 95.86 O +ATOM 431 CB GLU B 55 0.860 -47.285 -12.867 1.00107.43 C +ATOM 432 CG GLU B 55 1.108 -46.006 -13.659 1.00107.43 C +ATOM 433 CD GLU B 55 0.037 -45.768 -14.732 1.00107.43 C +ATOM 434 OE1 GLU B 55 -0.226 -46.698 -15.536 1.00107.43 O +ATOM 435 OE2 GLU B 55 -0.540 -44.653 -14.773 1.00107.43 O +ATOM 436 N GLU B 56 1.275 -49.862 -11.290 1.00101.00 N +ATOM 437 CA GLU B 56 0.717 -51.007 -10.569 1.00101.00 C +ATOM 438 C GLU B 56 1.448 -51.408 -9.297 1.00101.00 C +ATOM 439 O GLU B 56 0.868 -52.051 -8.412 1.00101.00 O +ATOM 440 CB GLU B 56 0.590 -52.219 -11.505 1.00129.79 C +ATOM 441 CG GLU B 56 -0.635 -52.136 -12.414 1.00129.79 C +ATOM 442 CD GLU B 56 -0.950 -53.435 -13.129 1.00129.79 C +ATOM 443 OE1 GLU B 56 -0.976 -54.495 -12.465 1.00129.79 O +ATOM 444 OE2 GLU B 56 -1.190 -53.390 -14.355 1.00129.79 O +ATOM 445 N ASP B 57 2.718 -51.028 -9.199 1.00 76.25 N +ATOM 446 CA ASP B 57 3.512 -51.355 -8.018 1.00 76.25 C +ATOM 447 C ASP B 57 3.019 -50.593 -6.788 1.00 76.25 C +ATOM 448 O ASP B 57 2.771 -49.388 -6.820 1.00 76.25 O +ATOM 449 CB ASP B 57 4.998 -51.050 -8.250 1.00117.61 C +ATOM 450 CG ASP B 57 5.657 -52.014 -9.225 1.00117.61 C +ATOM 451 OD1 ASP B 57 5.409 -53.235 -9.114 1.00117.61 O +ATOM 452 OD2 ASP B 57 6.437 -51.548 -10.087 1.00117.61 O +ATOM 453 N LYS B 58 2.884 -51.331 -5.701 1.00 73.14 N +ATOM 454 CA LYS B 58 2.425 -50.800 -4.431 1.00 73.14 C +ATOM 455 C LYS B 58 3.311 -51.475 -3.400 1.00 73.14 C +ATOM 456 O LYS B 58 3.661 -52.636 -3.565 1.00 73.14 O +ATOM 457 CB LYS B 58 0.960 -51.192 -4.234 1.00 81.79 C +ATOM 458 CG LYS B 58 0.397 -50.966 -2.853 1.00 81.79 C +ATOM 459 CD LYS B 58 -1.063 -51.419 -2.762 1.00 81.79 C +ATOM 460 CE LYS B 58 -1.219 -52.945 -2.772 1.00 81.79 C +ATOM 461 NZ LYS B 58 -0.680 -53.604 -3.994 1.00 81.79 N +ATOM 462 N ILE B 59 3.712 -50.745 -2.369 1.00 60.29 N +ATOM 463 CA ILE B 59 4.544 -51.311 -1.303 1.00 60.29 C +ATOM 464 C ILE B 59 3.830 -51.215 0.035 1.00 60.29 C +ATOM 465 O ILE B 59 3.618 -50.134 0.570 1.00 60.29 O +ATOM 466 CB ILE B 59 5.911 -50.577 -1.137 1.00 63.83 C +ATOM 467 CG1 ILE B 59 6.668 -50.546 -2.466 1.00 63.83 C +ATOM 468 CG2 ILE B 59 6.771 -51.296 -0.087 1.00 63.83 C +ATOM 469 CD1 ILE B 59 7.975 -49.807 -2.409 1.00 63.83 C +ATOM 470 N LEU B 60 3.461 -52.349 0.588 1.00 60.47 N +ATOM 471 CA LEU B 60 2.788 -52.323 1.867 1.00 60.47 C +ATOM 472 C LEU B 60 3.775 -52.703 2.949 1.00 60.47 C +ATOM 473 O LEU B 60 4.834 -53.261 2.668 1.00 60.47 O +ATOM 474 CB LEU B 60 1.616 -53.306 1.881 1.00 45.41 C +ATOM 475 CG LEU B 60 0.558 -53.056 0.815 1.00 45.41 C +ATOM 476 CD1 LEU B 60 -0.396 -54.268 0.778 1.00 45.41 C +ATOM 477 CD2 LEU B 60 -0.131 -51.714 1.091 1.00 45.41 C +ATOM 478 N ALA B 61 3.414 -52.409 4.192 1.00 67.96 N +ATOM 479 CA ALA B 61 4.272 -52.718 5.319 1.00 67.96 C +ATOM 480 C ALA B 61 4.377 -54.224 5.573 1.00 67.96 C +ATOM 481 O ALA B 61 3.376 -54.914 5.807 1.00 67.96 O +ATOM 482 CB ALA B 61 3.764 -52.011 6.552 1.00104.67 C +ATOM 483 N THR B 62 5.602 -54.724 5.530 1.00 87.25 N +ATOM 484 CA THR B 62 5.872 -56.136 5.745 1.00 87.25 C +ATOM 485 C THR B 62 4.973 -56.822 6.766 1.00 87.25 C +ATOM 486 O THR B 62 4.357 -57.833 6.451 1.00 87.25 O +ATOM 487 CB THR B 62 7.317 -56.352 6.197 1.00 93.40 C +ATOM 488 OG1 THR B 62 8.211 -55.828 5.213 1.00 93.40 O +ATOM 489 CG2 THR B 62 7.587 -57.815 6.390 1.00 93.40 C +ATOM 490 N PRO B 63 4.893 -56.284 8.001 1.00107.99 N +ATOM 491 CA PRO B 63 4.082 -56.828 9.095 1.00107.99 C +ATOM 492 C PRO B 63 2.662 -57.237 8.734 1.00107.99 C +ATOM 493 O PRO B 63 2.214 -58.332 9.081 1.00107.99 O +ATOM 494 CB PRO B 63 4.101 -55.703 10.119 1.00111.21 C +ATOM 495 CG PRO B 63 5.455 -55.143 9.945 1.00111.21 C +ATOM 496 CD PRO B 63 5.550 -55.040 8.442 1.00111.21 C +ATOM 497 N THR B 64 1.963 -56.352 8.037 1.00 89.02 N +ATOM 498 CA THR B 64 0.581 -56.588 7.644 1.00 89.02 C +ATOM 499 C THR B 64 0.359 -57.815 6.771 1.00 89.02 C +ATOM 500 O THR B 64 -0.193 -58.826 7.219 1.00 89.02 O +ATOM 501 CB THR B 64 0.016 -55.360 6.906 1.00118.19 C +ATOM 502 OG1 THR B 64 0.718 -55.167 5.669 1.00118.19 O +ATOM 503 CG2 THR B 64 0.178 -54.118 7.774 1.00118.19 C +ATOM 504 N LEU B 65 0.800 -57.713 5.523 1.00 91.03 N +ATOM 505 CA LEU B 65 0.634 -58.774 4.543 1.00 91.03 C +ATOM 506 C LEU B 65 1.417 -60.048 4.835 1.00 91.03 C +ATOM 507 O LEU B 65 1.095 -61.106 4.306 1.00 91.03 O +ATOM 508 CB LEU B 65 1.002 -58.236 3.163 1.00 74.03 C +ATOM 509 CG LEU B 65 0.625 -59.068 1.946 1.00 74.03 C +ATOM 510 CD1 LEU B 65 -0.878 -59.245 1.881 1.00 74.03 C +ATOM 511 CD2 LEU B 65 1.142 -58.370 0.703 1.00 74.03 C +ATOM 512 N ALA B 66 2.431 -59.958 5.683 1.00 74.96 N +ATOM 513 CA ALA B 66 3.226 -61.137 5.996 1.00 74.96 C +ATOM 514 C ALA B 66 2.408 -62.277 6.622 1.00 74.96 C +ATOM 515 O ALA B 66 2.431 -63.397 6.121 1.00 74.96 O +ATOM 516 CB ALA B 66 4.379 -60.765 6.911 1.00 75.75 C +ATOM 517 N LYS B 67 1.683 -61.985 7.702 1.00 87.18 N +ATOM 518 CA LYS B 67 0.885 -62.986 8.413 1.00 87.18 C +ATOM 519 C LYS B 67 0.097 -64.005 7.569 1.00 87.18 C +ATOM 520 O LYS B 67 -0.179 -65.112 8.041 1.00 87.18 O +ATOM 521 CB LYS B 67 -0.055 -62.276 9.391 1.00100.67 C +ATOM 522 CG LYS B 67 0.679 -61.305 10.308 1.00100.67 C +ATOM 523 CD LYS B 67 -0.181 -60.756 11.439 1.00100.67 C +ATOM 524 CE LYS B 67 0.631 -59.800 12.317 1.00100.67 C +ATOM 525 NZ LYS B 67 -0.086 -59.365 13.553 1.00100.67 N +ATOM 526 N VAL B 68 -0.266 -63.649 6.337 1.00 74.22 N +ATOM 527 CA VAL B 68 -1.016 -64.572 5.482 1.00 74.22 C +ATOM 528 C VAL B 68 -0.070 -65.389 4.606 1.00 74.22 C +ATOM 529 O VAL B 68 -0.509 -66.110 3.706 1.00 74.22 O +ATOM 530 CB VAL B 68 -2.027 -63.830 4.559 1.00 76.29 C +ATOM 531 CG1 VAL B 68 -3.178 -63.245 5.387 1.00 76.29 C +ATOM 532 CG2 VAL B 68 -1.317 -62.719 3.791 1.00 76.29 C +ATOM 533 N LEU B 69 1.228 -65.278 4.872 1.00 80.87 N +ATOM 534 CA LEU B 69 2.231 -66.009 4.106 1.00 80.87 C +ATOM 535 C LEU B 69 2.685 -67.263 4.855 1.00 80.87 C +ATOM 536 O LEU B 69 2.561 -67.350 6.079 1.00 80.87 O +ATOM 537 CB LEU B 69 3.444 -65.115 3.828 1.00 74.47 C +ATOM 538 CG LEU B 69 3.292 -63.834 3.007 1.00 74.47 C +ATOM 539 CD1 LEU B 69 4.548 -63.009 3.141 1.00 74.47 C +ATOM 540 CD2 LEU B 69 3.047 -64.171 1.555 1.00 74.47 C +ATOM 541 N PRO B 70 3.218 -68.253 4.119 1.00 78.86 N +ATOM 542 CA PRO B 70 3.703 -69.514 4.685 1.00 78.86 C +ATOM 543 C PRO B 70 4.681 -69.308 5.842 1.00 78.86 C +ATOM 544 O PRO B 70 5.528 -68.410 5.813 1.00 78.86 O +ATOM 545 CB PRO B 70 4.382 -70.185 3.498 1.00 79.50 C +ATOM 546 CG PRO B 70 3.599 -69.690 2.343 1.00 79.50 C +ATOM 547 CD PRO B 70 3.409 -68.232 2.658 1.00 79.50 C +ATOM 548 N PRO B 71 4.577 -70.149 6.874 1.00 97.10 N +ATOM 549 CA PRO B 71 5.423 -70.115 8.069 1.00 97.10 C +ATOM 550 C PRO B 71 6.928 -69.959 7.788 1.00 97.10 C +ATOM 551 O PRO B 71 7.569 -69.039 8.300 1.00 97.10 O +ATOM 552 CB PRO B 71 5.071 -71.424 8.753 1.00107.09 C +ATOM 553 CG PRO B 71 3.599 -71.501 8.488 1.00107.09 C +ATOM 554 CD PRO B 71 3.513 -71.156 7.020 1.00107.09 C +ATOM 555 N PRO B 72 7.515 -70.857 6.978 1.00108.78 N +ATOM 556 CA PRO B 72 8.943 -70.699 6.711 1.00108.78 C +ATOM 557 C PRO B 72 9.227 -69.392 5.967 1.00108.78 C +ATOM 558 O PRO B 72 10.270 -68.774 6.178 1.00108.78 O +ATOM 559 CB PRO B 72 9.273 -71.934 5.883 1.00 79.07 C +ATOM 560 CG PRO B 72 8.017 -72.191 5.149 1.00 79.07 C +ATOM 561 CD PRO B 72 6.972 -72.003 6.230 1.00 79.07 C +ATOM 562 N VAL B 73 8.297 -68.970 5.108 1.00 95.22 N +ATOM 563 CA VAL B 73 8.455 -67.726 4.349 1.00 95.22 C +ATOM 564 C VAL B 73 8.440 -66.513 5.263 1.00 95.22 C +ATOM 565 O VAL B 73 9.245 -65.596 5.104 1.00 95.22 O +ATOM 566 CB VAL B 73 7.329 -67.514 3.335 1.00 64.62 C +ATOM 567 CG1 VAL B 73 7.536 -66.182 2.636 1.00 64.62 C +ATOM 568 CG2 VAL B 73 7.298 -68.644 2.340 1.00 64.62 C +ATOM 569 N ARG B 74 7.502 -66.504 6.205 1.00100.94 N +ATOM 570 CA ARG B 74 7.388 -65.402 7.147 1.00100.94 C +ATOM 571 C ARG B 74 8.691 -65.213 7.927 1.00100.94 C +ATOM 572 O ARG B 74 9.070 -64.087 8.252 1.00100.94 O +ATOM 573 CB ARG B 74 6.255 -65.663 8.136 1.00 97.43 C +ATOM 574 CG ARG B 74 4.877 -65.832 7.524 1.00 97.43 C +ATOM 575 CD ARG B 74 3.880 -66.147 8.626 1.00 97.43 C +ATOM 576 NE ARG B 74 3.940 -65.136 9.680 1.00 97.43 N +ATOM 577 CZ ARG B 74 3.238 -65.186 10.808 1.00 97.43 C +ATOM 578 NH1 ARG B 74 2.421 -66.210 11.031 1.00 97.43 N +ATOM 579 NH2 ARG B 74 3.336 -64.207 11.703 1.00 97.43 N +ATOM 580 N ARG B 75 9.371 -66.318 8.228 1.00 93.25 N +ATOM 581 CA ARG B 75 10.620 -66.264 8.979 1.00 93.25 C +ATOM 582 C ARG B 75 11.721 -65.577 8.176 1.00 93.25 C +ATOM 583 O ARG B 75 12.497 -64.796 8.717 1.00 93.25 O +ATOM 584 CB ARG B 75 11.073 -67.668 9.385 1.00129.79 C +ATOM 585 CG ARG B 75 11.955 -67.680 10.630 1.00129.79 C +ATOM 586 CD ARG B 75 12.746 -68.978 10.761 1.00129.79 C +ATOM 587 NE ARG B 75 13.691 -69.156 9.659 1.00129.79 N +ATOM 588 CZ ARG B 75 14.566 -70.154 9.572 1.00129.79 C +ATOM 589 NH1 ARG B 75 14.628 -71.077 10.526 1.00129.79 N +ATOM 590 NH2 ARG B 75 15.381 -70.230 8.527 1.00129.79 N +ATOM 591 N ILE B 76 11.800 -65.866 6.886 1.00 93.59 N +ATOM 592 CA ILE B 76 12.811 -65.216 6.070 1.00 93.59 C +ATOM 593 C ILE B 76 12.465 -63.726 6.008 1.00 93.59 C +ATOM 594 O ILE B 76 13.317 -62.869 6.257 1.00 93.59 O +ATOM 595 CB ILE B 76 12.841 -65.776 4.639 1.00 71.28 C +ATOM 596 CG1 ILE B 76 12.920 -67.301 4.669 1.00 71.28 C +ATOM 597 CG2 ILE B 76 14.008 -65.185 3.890 1.00 71.28 C +ATOM 598 CD1 ILE B 76 13.996 -67.822 5.548 1.00 71.28 C +ATOM 599 N ILE B 77 11.206 -63.428 5.686 1.00 79.31 N +ATOM 600 CA ILE B 77 10.733 -62.049 5.595 1.00 79.31 C +ATOM 601 C ILE B 77 11.106 -61.302 6.873 1.00 79.31 C +ATOM 602 O ILE B 77 11.386 -60.108 6.834 1.00 79.31 O +ATOM 603 CB ILE B 77 9.193 -61.975 5.419 1.00 75.92 C +ATOM 604 CG1 ILE B 77 8.754 -62.695 4.142 1.00 75.92 C +ATOM 605 CG2 ILE B 77 8.755 -60.543 5.334 1.00 75.92 C +ATOM 606 CD1 ILE B 77 9.230 -62.050 2.880 1.00 75.92 C +ATOM 607 N GLY B 78 11.116 -62.014 8.000 1.00 93.80 N +ATOM 608 CA GLY B 78 11.464 -61.415 9.283 1.00 93.80 C +ATOM 609 C GLY B 78 12.942 -61.083 9.440 1.00 93.80 C +ATOM 610 O GLY B 78 13.290 -60.017 9.942 1.00 93.80 O +ATOM 611 N ASP B 79 13.821 -61.995 9.036 1.00121.96 N +ATOM 612 CA ASP B 79 15.256 -61.742 9.127 1.00121.96 C +ATOM 613 C ASP B 79 15.521 -60.509 8.288 1.00121.96 C +ATOM 614 O ASP B 79 16.060 -59.515 8.757 1.00121.96 O +ATOM 615 CB ASP B 79 16.073 -62.910 8.546 1.00129.79 C +ATOM 616 CG ASP B 79 16.230 -64.076 9.517 1.00129.79 C +ATOM 617 OD1 ASP B 79 16.840 -63.886 10.591 1.00129.79 O +ATOM 618 OD2 ASP B 79 15.753 -65.189 9.198 1.00129.79 O +ATOM 619 N LEU B 80 15.111 -60.597 7.032 1.00 79.32 N +ATOM 620 CA LEU B 80 15.288 -59.530 6.060 1.00 79.32 C +ATOM 621 C LEU B 80 14.948 -58.122 6.526 1.00 79.32 C +ATOM 622 O LEU B 80 15.607 -57.156 6.146 1.00 79.32 O +ATOM 623 CB LEU B 80 14.466 -59.861 4.825 1.00 77.75 C +ATOM 624 CG LEU B 80 14.999 -61.084 4.102 1.00 77.75 C +ATOM 625 CD1 LEU B 80 14.034 -61.464 3.009 1.00 77.75 C +ATOM 626 CD2 LEU B 80 16.398 -60.782 3.549 1.00 77.75 C +ATOM 627 N SER B 81 13.911 -57.999 7.341 1.00 97.72 N +ATOM 628 CA SER B 81 13.501 -56.688 7.811 1.00 97.72 C +ATOM 629 C SER B 81 14.223 -56.284 9.087 1.00 97.72 C +ATOM 630 O SER B 81 14.704 -55.160 9.203 1.00 97.72 O +ATOM 631 CB SER B 81 11.994 -56.672 8.063 1.00 77.82 C +ATOM 632 OG SER B 81 11.691 -57.428 9.223 1.00 77.82 O +ATOM 633 N ASN B 82 14.307 -57.208 10.037 1.00105.97 N +ATOM 634 CA ASN B 82 14.941 -56.921 11.313 1.00105.97 C +ATOM 635 C ASN B 82 16.430 -57.256 11.431 1.00105.97 C +ATOM 636 O ASN B 82 17.078 -56.848 12.390 1.00105.97 O +ATOM 637 CB ASN B 82 14.160 -57.621 12.420 1.00102.21 C +ATOM 638 CG ASN B 82 12.692 -57.246 12.412 1.00102.21 C +ATOM 639 OD1 ASN B 82 12.341 -56.074 12.552 1.00102.21 O +ATOM 640 ND2 ASN B 82 11.825 -58.240 12.244 1.00102.21 N +ATOM 641 N ARG B 83 16.978 -57.991 10.471 1.00127.93 N +ATOM 642 CA ARG B 83 18.392 -58.335 10.524 1.00127.93 C +ATOM 643 C ARG B 83 19.157 -57.807 9.315 1.00127.93 C +ATOM 644 O ARG B 83 19.941 -56.873 9.450 1.00127.93 O +ATOM 645 CB ARG B 83 18.560 -59.851 10.683 1.00127.00 C +ATOM 646 CG ARG B 83 18.138 -60.331 12.073 1.00127.00 C +ATOM 647 CD ARG B 83 18.161 -61.845 12.250 1.00127.00 C +ATOM 648 NE ARG B 83 19.504 -62.409 12.172 1.00127.00 N +ATOM 649 CZ ARG B 83 20.155 -62.643 11.036 1.00127.00 C +ATOM 650 NH1 ARG B 83 19.581 -62.361 9.872 1.00127.00 N +ATOM 651 NH2 ARG B 83 21.382 -63.157 11.067 1.00127.00 N +ATOM 652 N GLU B 84 18.931 -58.378 8.135 1.00 95.92 N +ATOM 653 CA GLU B 84 19.621 -57.914 6.932 1.00 95.92 C +ATOM 654 C GLU B 84 19.271 -56.463 6.603 1.00 95.92 C +ATOM 655 O GLU B 84 19.724 -55.915 5.603 1.00 95.92 O +ATOM 656 CB GLU B 84 19.283 -58.804 5.739 1.00129.79 C +ATOM 657 CG GLU B 84 20.023 -60.129 5.727 1.00129.79 C +ATOM 658 CD GLU B 84 19.785 -60.949 6.979 1.00129.79 C +ATOM 659 OE1 GLU B 84 20.235 -60.527 8.067 1.00129.79 O +ATOM 660 OE2 GLU B 84 19.144 -62.018 6.872 1.00129.79 O +ATOM 661 N LYS B 85 18.448 -55.853 7.444 1.00 80.96 N +ATOM 662 CA LYS B 85 18.061 -54.465 7.274 1.00 80.96 C +ATOM 663 C LYS B 85 17.935 -54.016 5.820 1.00 80.96 C +ATOM 664 O LYS B 85 18.394 -52.923 5.475 1.00 80.96 O +ATOM 665 CB LYS B 85 19.084 -53.574 7.972 1.00116.35 C +ATOM 666 CG LYS B 85 19.359 -53.941 9.412 1.00116.35 C +ATOM 667 CD LYS B 85 18.162 -53.630 10.287 1.00116.35 C +ATOM 668 CE LYS B 85 18.453 -53.934 11.744 1.00116.35 C +ATOM 669 NZ LYS B 85 17.323 -53.510 12.616 1.00116.35 N +ATOM 670 N VAL B 86 17.315 -54.823 4.964 1.00 90.39 N +ATOM 671 CA VAL B 86 17.190 -54.420 3.559 1.00 90.39 C +ATOM 672 C VAL B 86 15.775 -54.416 2.970 1.00 90.39 C +ATOM 673 O VAL B 86 15.516 -53.783 1.941 1.00 90.39 O +ATOM 674 CB VAL B 86 18.086 -55.305 2.666 1.00 73.95 C +ATOM 675 CG1 VAL B 86 19.536 -54.873 2.802 1.00 73.95 C +ATOM 676 CG2 VAL B 86 17.927 -56.760 3.065 1.00 73.95 C +ATOM 677 N LEU B 87 14.867 -55.121 3.630 1.00101.91 N +ATOM 678 CA LEU B 87 13.498 -55.230 3.160 1.00101.91 C +ATOM 679 C LEU B 87 12.663 -54.004 3.476 1.00101.91 C +ATOM 680 O LEU B 87 12.312 -53.771 4.630 1.00101.91 O +ATOM 681 CB LEU B 87 12.844 -56.452 3.787 1.00 75.97 C +ATOM 682 CG LEU B 87 11.440 -56.747 3.271 1.00 75.97 C +ATOM 683 CD1 LEU B 87 11.545 -57.178 1.806 1.00 75.97 C +ATOM 684 CD2 LEU B 87 10.773 -57.838 4.109 1.00 75.97 C +ATOM 685 N ILE B 88 12.338 -53.224 2.450 1.00 74.30 N +ATOM 686 CA ILE B 88 11.525 -52.023 2.635 1.00 74.30 C +ATOM 687 C ILE B 88 10.085 -52.397 3.003 1.00 74.30 C +ATOM 688 O ILE B 88 9.507 -51.839 3.925 1.00 74.30 O +ATOM 689 CB ILE B 88 11.490 -51.174 1.352 1.00 62.16 C +ATOM 690 CG1 ILE B 88 12.891 -50.689 0.987 1.00 62.16 C +ATOM 691 CG2 ILE B 88 10.580 -49.967 1.548 1.00 62.16 C +ATOM 692 CD1 ILE B 88 12.914 -49.928 -0.321 1.00 62.16 C +ATOM 693 N GLY B 89 9.526 -53.348 2.267 1.00 70.51 N +ATOM 694 CA GLY B 89 8.173 -53.805 2.500 1.00 70.51 C +ATOM 695 C GLY B 89 7.832 -54.804 1.410 1.00 70.51 C +ATOM 696 O GLY B 89 8.736 -55.223 0.697 1.00 70.51 O +ATOM 697 N LEU B 90 6.558 -55.181 1.259 1.00 79.81 N +ATOM 698 CA LEU B 90 6.160 -56.146 0.226 1.00 79.81 C +ATOM 699 C LEU B 90 4.725 -56.004 -0.300 1.00 79.81 C +ATOM 700 O LEU B 90 4.005 -55.068 0.055 1.00 79.81 O +ATOM 701 CB LEU B 90 6.361 -57.566 0.755 1.00 69.11 C +ATOM 702 CG LEU B 90 5.759 -57.917 2.115 1.00 69.11 C +ATOM 703 CD1 LEU B 90 4.387 -58.505 1.977 1.00 69.11 C +ATOM 704 CD2 LEU B 90 6.652 -58.935 2.760 1.00 69.11 C +ATOM 705 N ASP B 91 4.330 -56.922 -1.179 1.00 77.87 N +ATOM 706 CA ASP B 91 2.976 -56.933 -1.724 1.00 77.87 C +ATOM 707 C ASP B 91 2.684 -58.289 -2.352 1.00 77.87 C +ATOM 708 O ASP B 91 3.599 -59.054 -2.633 1.00 77.87 O +ATOM 709 CB ASP B 91 2.771 -55.811 -2.762 1.00111.13 C +ATOM 710 CG ASP B 91 1.305 -55.699 -3.250 1.00111.13 C +ATOM 711 OD1 ASP B 91 0.370 -55.897 -2.437 1.00111.13 O +ATOM 712 OD2 ASP B 91 1.087 -55.390 -4.447 1.00111.13 O +ATOM 713 N LEU B 92 1.401 -58.581 -2.555 1.00 80.13 N +ATOM 714 CA LEU B 92 0.980 -59.840 -3.155 1.00 80.13 C +ATOM 715 C LEU B 92 -0.022 -59.612 -4.280 1.00 80.13 C +ATOM 716 O LEU B 92 -1.174 -59.291 -4.029 1.00 80.13 O +ATOM 717 CB LEU B 92 0.339 -60.724 -2.103 1.00 56.15 C +ATOM 718 CG LEU B 92 0.281 -62.189 -2.506 1.00 56.15 C +ATOM 719 CD1 LEU B 92 1.645 -62.788 -2.222 1.00 56.15 C +ATOM 720 CD2 LEU B 92 -0.780 -62.914 -1.747 1.00 56.15 C +ATOM 721 N LEU B 93 0.420 -59.802 -5.518 1.00 63.09 N +ATOM 722 CA LEU B 93 -0.418 -59.596 -6.694 1.00 63.09 C +ATOM 723 C LEU B 93 -0.450 -60.815 -7.604 1.00 63.09 C +ATOM 724 O LEU B 93 0.530 -61.542 -7.701 1.00 63.09 O +ATOM 725 CB LEU B 93 0.093 -58.389 -7.497 1.00 50.18 C +ATOM 726 CG LEU B 93 -0.256 -56.996 -6.951 1.00 50.18 C +ATOM 727 CD1 LEU B 93 0.458 -55.849 -7.704 1.00 50.18 C +ATOM 728 CD2 LEU B 93 -1.749 -56.837 -7.073 1.00 50.18 C +ATOM 729 N TYR B 94 -1.583 -61.027 -8.267 1.00 92.63 N +ATOM 730 CA TYR B 94 -1.759 -62.124 -9.217 1.00 92.63 C +ATOM 731 C TYR B 94 -1.386 -61.559 -10.589 1.00 92.63 C +ATOM 732 O TYR B 94 -2.257 -61.174 -11.358 1.00 92.63 O +ATOM 733 CB TYR B 94 -3.220 -62.562 -9.214 1.00126.84 C +ATOM 734 CG TYR B 94 -3.554 -63.657 -10.190 1.00126.84 C +ATOM 735 CD1 TYR B 94 -4.079 -63.367 -11.449 1.00126.84 C +ATOM 736 CD2 TYR B 94 -3.360 -64.989 -9.847 1.00126.84 C +ATOM 737 CE1 TYR B 94 -4.403 -64.381 -12.340 1.00126.84 C +ATOM 738 CE2 TYR B 94 -3.678 -66.012 -10.724 1.00126.84 C +ATOM 739 CZ TYR B 94 -4.201 -65.706 -11.967 1.00126.84 C +ATOM 740 OH TYR B 94 -4.514 -66.733 -12.831 1.00126.84 O +ATOM 741 N GLU B 95 -0.090 -61.504 -10.884 1.00 91.80 N +ATOM 742 CA GLU B 95 0.401 -60.948 -12.145 1.00 91.80 C +ATOM 743 C GLU B 95 1.069 -61.937 -13.100 1.00 91.80 C +ATOM 744 O GLU B 95 1.080 -63.144 -12.866 1.00 91.80 O +ATOM 745 CB GLU B 95 1.399 -59.824 -11.870 1.00128.04 C +ATOM 746 CG GLU B 95 0.893 -58.721 -10.981 1.00128.04 C +ATOM 747 CD GLU B 95 1.771 -57.495 -11.070 1.00128.04 C +ATOM 748 OE1 GLU B 95 3.007 -57.648 -10.981 1.00128.04 O +ATOM 749 OE2 GLU B 95 1.226 -56.383 -11.233 1.00128.04 O +ATOM 750 N GLU B 96 1.643 -61.386 -14.169 1.00100.61 N +ATOM 751 CA GLU B 96 2.328 -62.158 -15.199 1.00100.61 C +ATOM 752 C GLU B 96 3.545 -62.926 -14.713 1.00100.61 C +ATOM 753 O GLU B 96 3.587 -64.147 -14.818 1.00100.61 O +ATOM 754 CB GLU B 96 2.744 -61.243 -16.355 1.00129.79 C +ATOM 755 CG GLU B 96 1.704 -61.145 -17.463 1.00129.79 C +ATOM 756 CD GLU B 96 1.478 -62.481 -18.153 1.00129.79 C +ATOM 757 OE1 GLU B 96 2.233 -62.802 -19.098 1.00129.79 O +ATOM 758 OE2 GLU B 96 0.555 -63.214 -17.732 1.00129.79 O +ATOM 759 N ILE B 97 4.540 -62.213 -14.200 1.00101.65 N +ATOM 760 CA ILE B 97 5.767 -62.843 -13.705 1.00101.65 C +ATOM 761 C ILE B 97 6.327 -63.938 -14.627 1.00101.65 C +ATOM 762 O ILE B 97 6.233 -65.136 -14.332 1.00101.65 O +ATOM 763 CB ILE B 97 5.562 -63.449 -12.287 1.00129.79 C +ATOM 764 CG1 ILE B 97 6.918 -63.828 -11.697 1.00129.79 C +ATOM 765 CG2 ILE B 97 4.647 -64.677 -12.335 1.00129.79 C +ATOM 766 CD1 ILE B 97 7.807 -62.641 -11.462 1.00129.79 C +ATOM 767 N GLY B 98 6.920 -63.521 -15.742 1.00129.79 N +ATOM 768 CA GLY B 98 7.487 -64.478 -16.676 1.00129.79 C +ATOM 769 C GLY B 98 8.994 -64.625 -16.547 1.00129.79 C +ATOM 770 O GLY B 98 9.510 -65.123 -15.546 1.00129.79 O +ATOM 771 N ASP B 99 9.701 -64.172 -17.573 1.00129.79 N +ATOM 772 CA ASP B 99 11.158 -64.248 -17.635 1.00129.79 C +ATOM 773 C ASP B 99 11.968 -63.575 -16.519 1.00129.79 C +ATOM 774 O ASP B 99 11.646 -62.474 -16.061 1.00129.79 O +ATOM 775 CB ASP B 99 11.643 -63.729 -19.004 1.00129.79 C +ATOM 776 CG ASP B 99 10.587 -62.886 -19.741 1.00129.79 C +ATOM 777 OD1 ASP B 99 9.440 -62.753 -19.259 1.00129.79 O +ATOM 778 OD2 ASP B 99 10.911 -62.355 -20.827 1.00129.79 O +ATOM 779 N GLN B 100 13.027 -64.269 -16.099 1.00129.79 N +ATOM 780 CA GLN B 100 13.954 -63.803 -15.066 1.00129.79 C +ATOM 781 C GLN B 100 14.548 -62.464 -15.494 1.00129.79 C +ATOM 782 O GLN B 100 14.478 -62.100 -16.667 1.00129.79 O +ATOM 783 CB GLN B 100 15.075 -64.841 -14.879 1.00129.79 C +ATOM 784 CG GLN B 100 16.406 -64.294 -14.348 1.00129.79 C +ATOM 785 CD GLN B 100 17.526 -65.325 -14.395 1.00129.79 C +ATOM 786 OE1 GLN B 100 17.730 -65.989 -15.409 1.00129.79 O +ATOM 787 NE2 GLN B 100 18.264 -65.451 -13.300 1.00129.79 N +ATOM 788 N ALA B 101 15.138 -61.735 -14.552 1.00129.79 N +ATOM 789 CA ALA B 101 15.722 -60.439 -14.872 1.00129.79 C +ATOM 790 C ALA B 101 17.164 -60.296 -14.408 1.00129.79 C +ATOM 791 O ALA B 101 17.908 -61.279 -14.349 1.00129.79 O +ATOM 792 CB ALA B 101 14.874 -59.332 -14.268 1.00115.09 C +ATOM 793 N GLU B 102 17.538 -59.057 -14.083 1.00129.79 N +ATOM 794 CA GLU B 102 18.884 -58.713 -13.622 1.00129.79 C +ATOM 795 C GLU B 102 19.860 -58.682 -14.795 1.00129.79 C +ATOM 796 O GLU B 102 20.627 -59.636 -14.997 1.00129.79 O +ATOM 797 CB GLU B 102 19.350 -59.719 -12.552 1.00129.79 C +ATOM 798 CG GLU B 102 20.875 -59.847 -12.333 1.00129.79 C +ATOM 799 CD GLU B 102 21.453 -58.815 -11.368 1.00129.79 C +ATOM 800 OE1 GLU B 102 20.778 -58.502 -10.358 1.00129.79 O +ATOM 801 OE2 GLU B 102 22.589 -58.338 -11.603 1.00129.79 O +ATOM 802 N ASP B 103 19.817 -57.588 -15.564 1.00129.79 N +ATOM 803 CA ASP B 103 20.696 -57.409 -16.722 1.00129.79 C +ATOM 804 C ASP B 103 21.940 -58.238 -16.472 1.00129.79 C +ATOM 805 O ASP B 103 22.758 -57.940 -15.590 1.00129.79 O +ATOM 806 CB ASP B 103 21.069 -55.938 -16.895 1.00123.37 C +ATOM 807 CG ASP B 103 21.828 -55.675 -18.182 1.00123.37 C +ATOM 808 OD1 ASP B 103 22.019 -56.618 -18.986 1.00123.37 O +ATOM 809 OD2 ASP B 103 22.231 -54.511 -18.385 1.00123.37 O +ATOM 810 N ASP B 104 22.075 -59.304 -17.241 1.00129.79 N +ATOM 811 CA ASP B 104 23.196 -60.187 -17.036 1.00129.79 C +ATOM 812 C ASP B 104 24.460 -59.749 -17.760 1.00129.79 C +ATOM 813 O ASP B 104 24.459 -59.501 -18.972 1.00129.79 O +ATOM 814 CB ASP B 104 22.818 -61.609 -17.449 1.00129.79 C +ATOM 815 CG ASP B 104 23.359 -61.982 -18.809 1.00129.79 C +ATOM 816 OD1 ASP B 104 22.952 -61.361 -19.822 1.00129.79 O +ATOM 817 OD2 ASP B 104 24.198 -62.910 -18.864 1.00129.79 O +ATOM 818 N LEU B 105 25.535 -59.642 -16.985 1.00129.79 N +ATOM 819 CA LEU B 105 26.852 -59.290 -17.499 1.00129.79 C +ATOM 820 C LEU B 105 27.564 -60.639 -17.658 1.00129.79 C +ATOM 821 O LEU B 105 28.771 -60.691 -17.901 1.00129.79 O +ATOM 822 CB LEU B 105 27.605 -58.414 -16.482 1.00124.26 C +ATOM 823 CG LEU B 105 28.806 -57.666 -17.072 1.00124.26 C +ATOM 824 CD1 LEU B 105 29.259 -56.612 -16.096 1.00124.26 C +ATOM 825 CD2 LEU B 105 29.954 -58.606 -17.383 1.00124.26 C +ATOM 826 N GLY B 106 26.768 -61.709 -17.530 1.00129.79 N +ATOM 827 CA GLY B 106 27.246 -63.079 -17.588 1.00129.79 C +ATOM 828 C GLY B 106 27.481 -63.612 -16.176 1.00129.79 C +ATOM 829 O GLY B 106 27.715 -64.812 -15.959 1.00129.79 O +ATOM 830 N LEU B 107 27.431 -62.673 -15.222 1.00129.79 N +ATOM 831 CA LEU B 107 27.583 -62.919 -13.785 1.00129.79 C +ATOM 832 C LEU B 107 28.523 -64.099 -13.722 1.00129.79 C +ATOM 833 O LEU B 107 28.148 -65.160 -13.241 1.00129.79 O +ATOM 834 CB LEU B 107 26.229 -63.317 -13.207 1.00129.79 C +ATOM 835 CG LEU B 107 25.205 -63.713 -14.277 1.00129.79 C +ATOM 836 CD1 LEU B 107 25.327 -65.231 -14.557 1.00129.79 C +ATOM 837 CD2 LEU B 107 23.762 -63.318 -13.866 1.00129.79 C +ATOM 838 N GLU B 108 29.724 -63.923 -14.266 1.00129.79 N +ATOM 839 CA GLU B 108 30.725 -64.987 -14.375 1.00129.79 C +ATOM 840 C GLU B 108 30.483 -65.909 -15.581 1.00129.79 C +ATOM 841 O GLU B 108 31.323 -65.912 -16.504 1.00129.79 O +ATOM 842 CB GLU B 108 30.753 -65.840 -13.110 1.00116.62 C +ATOM 843 CG GLU B 108 31.320 -67.287 -13.275 1.00116.62 C +ATOM 844 CD GLU B 108 31.673 -68.024 -11.965 1.00116.62 C +ATOM 845 OE1 GLU B 108 32.106 -67.373 -10.996 1.00116.62 O +ATOM 846 OE2 GLU B 108 31.523 -69.268 -11.937 1.00116.62 O +ATOM 847 OXT GLU B 108 29.458 -66.638 -15.597 1.00129.79 O +TER 848 GLU B 108 +END diff --git a/bench/main_benchmark/structures/SFB_FS_KAIB_2QKEB_5JYTA/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_KAIB_2QKEB_5JYTA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b661ad8a4196353a314a23e30aa08b2f60c41d35 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_KAIB_2QKEB_5JYTA/state_b.pdb @@ -0,0 +1,1731 @@ +MODEL 1 +ATOM 1 N MET A 1 -13.035 -7.481 -20.996 1.00 0.00 N +ATOM 2 CA MET A 1 -13.662 -7.259 -19.667 1.00 0.00 C +ATOM 3 C MET A 1 -13.508 -8.490 -18.783 1.00 0.00 C +ATOM 4 O MET A 1 -14.302 -8.718 -17.868 1.00 0.00 O +ATOM 5 CB MET A 1 -15.145 -6.917 -19.832 1.00 0.00 C +ATOM 6 CG MET A 1 -15.394 -5.549 -20.443 1.00 0.00 C +ATOM 7 SD MET A 1 -17.142 -5.238 -20.766 1.00 0.00 S +ATOM 8 CE MET A 1 -17.770 -5.068 -19.096 1.00 0.00 C +ATOM 9 H1 MET A 1 -13.501 -6.891 -21.715 1.00 0.00 H +ATOM 10 H2 MET A 1 -13.127 -8.480 -21.273 1.00 0.00 H +ATOM 11 H3 MET A 1 -12.025 -7.233 -20.961 1.00 0.00 H +ATOM 12 HA MET A 1 -13.161 -6.427 -19.190 1.00 0.00 H +ATOM 13 HB2 MET A 1 -15.605 -7.661 -20.466 1.00 0.00 H +ATOM 14 HB3 MET A 1 -15.618 -6.946 -18.859 1.00 0.00 H +ATOM 15 HG2 MET A 1 -15.029 -4.793 -19.766 1.00 0.00 H +ATOM 16 HG3 MET A 1 -14.854 -5.484 -21.377 1.00 0.00 H +ATOM 17 HE1 MET A 1 -17.943 -6.048 -18.675 1.00 0.00 H +ATOM 18 HE2 MET A 1 -18.699 -4.517 -19.116 1.00 0.00 H +ATOM 19 HE3 MET A 1 -17.049 -4.539 -18.491 1.00 0.00 H +ATOM 20 N ALA A 2 -12.485 -9.286 -19.069 1.00 0.00 N +ATOM 21 CA ALA A 2 -12.217 -10.497 -18.302 1.00 0.00 C +ATOM 22 C ALA A 2 -11.552 -10.162 -16.967 1.00 0.00 C +ATOM 23 O ALA A 2 -10.502 -9.518 -16.939 1.00 0.00 O +ATOM 24 CB ALA A 2 -11.338 -11.447 -19.105 1.00 0.00 C +ATOM 25 H ALA A 2 -11.894 -9.049 -19.813 1.00 0.00 H +ATOM 26 HA ALA A 2 -13.159 -10.987 -18.112 1.00 0.00 H +ATOM 27 HB1 ALA A 2 -11.362 -12.427 -18.653 1.00 0.00 H +ATOM 28 HB2 ALA A 2 -10.323 -11.079 -19.111 1.00 0.00 H +ATOM 29 HB3 ALA A 2 -11.706 -11.507 -20.118 1.00 0.00 H +ATOM 30 N PRO A 3 -12.170 -10.575 -15.840 1.00 0.00 N +ATOM 31 CA PRO A 3 -11.628 -10.323 -14.495 1.00 0.00 C +ATOM 32 C PRO A 3 -10.242 -10.926 -14.297 1.00 0.00 C +ATOM 33 O PRO A 3 -9.960 -12.033 -14.757 1.00 0.00 O +ATOM 34 CB PRO A 3 -12.641 -11.003 -13.568 1.00 0.00 C +ATOM 35 CG PRO A 3 -13.897 -11.065 -14.365 1.00 0.00 C +ATOM 36 CD PRO A 3 -13.455 -11.297 -15.782 1.00 0.00 C +ATOM 37 HA PRO A 3 -11.588 -9.265 -14.281 1.00 0.00 H +ATOM 38 HB2 PRO A 3 -12.286 -11.988 -13.305 1.00 0.00 H +ATOM 39 HB3 PRO A 3 -12.771 -10.410 -12.674 1.00 0.00 H +ATOM 40 HG2 PRO A 3 -14.512 -11.886 -14.022 1.00 0.00 H +ATOM 41 HG3 PRO A 3 -14.433 -10.133 -14.286 1.00 0.00 H +ATOM 42 HD2 PRO A 3 -13.318 -12.353 -15.970 1.00 0.00 H +ATOM 43 HD3 PRO A 3 -14.169 -10.875 -16.472 1.00 0.00 H +ATOM 44 N LEU A 4 -9.388 -10.197 -13.588 1.00 0.00 N +ATOM 45 CA LEU A 4 -8.032 -10.651 -13.328 1.00 0.00 C +ATOM 46 C LEU A 4 -7.872 -11.035 -11.863 1.00 0.00 C +ATOM 47 O LEU A 4 -8.444 -10.398 -10.979 1.00 0.00 O +ATOM 48 CB LEU A 4 -7.026 -9.557 -13.696 1.00 0.00 C +ATOM 49 CG LEU A 4 -7.133 -9.026 -15.128 1.00 0.00 C +ATOM 50 CD1 LEU A 4 -6.085 -7.955 -15.379 1.00 0.00 C +ATOM 51 CD2 LEU A 4 -7.000 -10.159 -16.134 1.00 0.00 C +ATOM 52 H LEU A 4 -9.679 -9.336 -13.228 1.00 0.00 H +ATOM 53 HA LEU A 4 -7.850 -11.521 -13.941 1.00 0.00 H +ATOM 54 HB2 LEU A 4 -7.163 -8.729 -13.014 1.00 0.00 H +ATOM 55 HB3 LEU A 4 -6.031 -9.953 -13.556 1.00 0.00 H +ATOM 56 HG LEU A 4 -8.106 -8.575 -15.262 1.00 0.00 H +ATOM 57 HD11 LEU A 4 -5.111 -8.331 -15.100 1.00 0.00 H +ATOM 58 HD12 LEU A 4 -6.316 -7.081 -14.789 1.00 0.00 H +ATOM 59 HD13 LEU A 4 -6.084 -7.693 -16.427 1.00 0.00 H +ATOM 60 HD21 LEU A 4 -6.669 -9.763 -17.082 1.00 0.00 H +ATOM 61 HD22 LEU A 4 -7.961 -10.639 -16.261 1.00 0.00 H +ATOM 62 HD23 LEU A 4 -6.282 -10.881 -15.774 1.00 0.00 H +ATOM 63 N ARG A 5 -7.094 -12.082 -11.612 1.00 0.00 N +ATOM 64 CA ARG A 5 -6.865 -12.551 -10.252 1.00 0.00 C +ATOM 65 C ARG A 5 -5.569 -11.970 -9.695 1.00 0.00 C +ATOM 66 O ARG A 5 -4.565 -11.897 -10.407 1.00 0.00 O +ATOM 67 CB ARG A 5 -6.812 -14.084 -10.212 1.00 0.00 C +ATOM 68 CG ARG A 5 -8.177 -14.749 -10.080 1.00 0.00 C +ATOM 69 CD ARG A 5 -9.006 -14.588 -11.346 1.00 0.00 C +ATOM 70 NE ARG A 5 -10.182 -15.454 -11.350 1.00 0.00 N +ATOM 71 CZ ARG A 5 -11.106 -15.436 -12.306 1.00 0.00 C +ATOM 72 NH1 ARG A 5 -10.994 -14.592 -13.327 1.00 0.00 N +ATOM 73 NH2 ARG A 5 -12.141 -16.264 -12.245 1.00 0.00 N +ATOM 74 H ARG A 5 -6.662 -12.546 -12.357 1.00 0.00 H +ATOM 75 HA ARG A 5 -7.690 -12.211 -9.641 1.00 0.00 H +ATOM 76 HB2 ARG A 5 -6.352 -14.438 -11.122 1.00 0.00 H +ATOM 77 HB3 ARG A 5 -6.205 -14.387 -9.373 1.00 0.00 H +ATOM 78 HG2 ARG A 5 -8.034 -15.802 -9.886 1.00 0.00 H +ATOM 79 HG3 ARG A 5 -8.707 -14.298 -9.253 1.00 0.00 H +ATOM 80 HD2 ARG A 5 -9.327 -13.561 -11.422 1.00 0.00 H +ATOM 81 HD3 ARG A 5 -8.387 -14.835 -12.197 1.00 0.00 H +ATOM 82 HE ARG A 5 -10.286 -16.082 -10.605 1.00 0.00 H +ATOM 83 HH11 ARG A 5 -10.213 -13.967 -13.375 1.00 0.00 H +ATOM 84 HH12 ARG A 5 -11.689 -14.580 -14.045 1.00 0.00 H +ATOM 85 HH21 ARG A 5 -12.226 -16.901 -11.480 1.00 0.00 H +ATOM 86 HH22 ARG A 5 -12.838 -16.249 -12.962 1.00 0.00 H +ATOM 87 N LYS A 6 -5.612 -11.560 -8.422 1.00 0.00 N +ATOM 88 CA LYS A 6 -4.460 -10.976 -7.724 1.00 0.00 C +ATOM 89 C LYS A 6 -4.127 -9.584 -8.247 1.00 0.00 C +ATOM 90 O LYS A 6 -4.337 -8.589 -7.556 1.00 0.00 O +ATOM 91 CB LYS A 6 -3.229 -11.888 -7.812 1.00 0.00 C +ATOM 92 CG LYS A 6 -3.061 -12.804 -6.608 1.00 0.00 C +ATOM 93 CD LYS A 6 -2.663 -12.025 -5.361 1.00 0.00 C +ATOM 94 CE LYS A 6 -1.228 -12.319 -4.955 1.00 0.00 C +ATOM 95 NZ LYS A 6 -1.038 -13.746 -4.578 1.00 0.00 N +ATOM 96 H LYS A 6 -6.455 -11.653 -7.931 1.00 0.00 H +ATOM 97 HA LYS A 6 -4.732 -10.872 -6.694 1.00 0.00 H +ATOM 98 HB2 LYS A 6 -3.314 -12.504 -8.696 1.00 0.00 H +ATOM 99 HB3 LYS A 6 -2.345 -11.274 -7.897 1.00 0.00 H +ATOM 100 HG2 LYS A 6 -3.995 -13.311 -6.419 1.00 0.00 H +ATOM 101 HG3 LYS A 6 -2.292 -13.532 -6.826 1.00 0.00 H +ATOM 102 HD2 LYS A 6 -2.759 -10.968 -5.564 1.00 0.00 H +ATOM 103 HD3 LYS A 6 -3.323 -12.299 -4.551 1.00 0.00 H +ATOM 104 HE2 LYS A 6 -0.577 -12.086 -5.785 1.00 0.00 H +ATOM 105 HE3 LYS A 6 -0.972 -11.695 -4.111 1.00 0.00 H +ATOM 106 HZ1 LYS A 6 -0.264 -14.163 -5.134 1.00 0.00 H +ATOM 107 HZ2 LYS A 6 -1.909 -14.285 -4.762 1.00 0.00 H +ATOM 108 HZ3 LYS A 6 -0.804 -13.822 -3.568 1.00 0.00 H +ATOM 109 N THR A 7 -3.608 -9.520 -9.458 1.00 0.00 N +ATOM 110 CA THR A 7 -3.247 -8.246 -10.056 1.00 0.00 C +ATOM 111 C THR A 7 -4.466 -7.525 -10.610 1.00 0.00 C +ATOM 112 O THR A 7 -5.231 -8.075 -11.402 1.00 0.00 O +ATOM 113 CB THR A 7 -2.208 -8.408 -11.178 1.00 0.00 C +ATOM 114 OG1 THR A 7 -2.365 -9.680 -11.817 1.00 0.00 O +ATOM 115 CG2 THR A 7 -0.791 -8.266 -10.640 1.00 0.00 C +ATOM 116 H THR A 7 -3.474 -10.351 -9.963 1.00 0.00 H +ATOM 117 HA THR A 7 -2.815 -7.634 -9.279 1.00 0.00 H +ATOM 118 HB THR A 7 -2.375 -7.627 -11.906 1.00 0.00 H +ATOM 119 HG1 THR A 7 -3.285 -9.803 -12.065 1.00 0.00 H +ATOM 120 HG21 THR A 7 -0.137 -8.942 -11.168 1.00 0.00 H +ATOM 121 HG22 THR A 7 -0.780 -8.503 -9.586 1.00 0.00 H +ATOM 122 HG23 THR A 7 -0.451 -7.248 -10.785 1.00 0.00 H +ATOM 123 N ALA A 8 -4.627 -6.285 -10.183 1.00 0.00 N +ATOM 124 CA ALA A 8 -5.734 -5.448 -10.617 1.00 0.00 C +ATOM 125 C ALA A 8 -5.223 -4.246 -11.393 1.00 0.00 C +ATOM 126 O ALA A 8 -4.092 -3.805 -11.197 1.00 0.00 O +ATOM 127 CB ALA A 8 -6.553 -5.000 -9.425 1.00 0.00 C +ATOM 128 H ALA A 8 -3.981 -5.925 -9.537 1.00 0.00 H +ATOM 129 HA ALA A 8 -6.369 -6.036 -11.266 1.00 0.00 H +ATOM 130 HB1 ALA A 8 -6.062 -4.169 -8.941 1.00 0.00 H +ATOM 131 HB2 ALA A 8 -6.648 -5.819 -8.724 1.00 0.00 H +ATOM 132 HB3 ALA A 8 -7.535 -4.694 -9.756 1.00 0.00 H +ATOM 133 N VAL A 9 -6.061 -3.717 -12.271 1.00 0.00 N +ATOM 134 CA VAL A 9 -5.679 -2.575 -13.081 1.00 0.00 C +ATOM 135 C VAL A 9 -6.404 -1.323 -12.605 1.00 0.00 C +ATOM 136 O VAL A 9 -7.637 -1.279 -12.550 1.00 0.00 O +ATOM 137 CB VAL A 9 -5.982 -2.811 -14.576 1.00 0.00 C +ATOM 138 CG1 VAL A 9 -5.585 -1.598 -15.413 1.00 0.00 C +ATOM 139 CG2 VAL A 9 -5.267 -4.059 -15.074 1.00 0.00 C +ATOM 140 H VAL A 9 -6.979 -4.063 -12.336 1.00 0.00 H +ATOM 141 HA VAL A 9 -4.611 -2.439 -12.976 1.00 0.00 H +ATOM 142 HB VAL A 9 -7.045 -2.967 -14.683 1.00 0.00 H +ATOM 143 HG11 VAL A 9 -4.596 -1.266 -15.126 1.00 0.00 H +ATOM 144 HG12 VAL A 9 -6.293 -0.799 -15.250 1.00 0.00 H +ATOM 145 HG13 VAL A 9 -5.582 -1.867 -16.460 1.00 0.00 H +ATOM 146 HG21 VAL A 9 -5.911 -4.597 -15.754 1.00 0.00 H +ATOM 147 HG22 VAL A 9 -5.021 -4.693 -14.235 1.00 0.00 H +ATOM 148 HG23 VAL A 9 -4.360 -3.774 -15.587 1.00 0.00 H +ATOM 149 N LEU A 10 -5.629 -0.308 -12.272 1.00 0.00 N +ATOM 150 CA LEU A 10 -6.168 0.955 -11.799 1.00 0.00 C +ATOM 151 C LEU A 10 -5.881 2.020 -12.847 1.00 0.00 C +ATOM 152 O LEU A 10 -4.738 2.157 -13.289 1.00 0.00 O +ATOM 153 CB LEU A 10 -5.521 1.323 -10.455 1.00 0.00 C +ATOM 154 CG LEU A 10 -6.462 1.815 -9.341 1.00 0.00 C +ATOM 155 CD1 LEU A 10 -7.232 3.048 -9.776 1.00 0.00 C +ATOM 156 CD2 LEU A 10 -7.420 0.717 -8.903 1.00 0.00 C +ATOM 157 H LEU A 10 -4.655 -0.402 -12.397 1.00 0.00 H +ATOM 158 HA LEU A 10 -7.235 0.842 -11.679 1.00 0.00 H +ATOM 159 HB2 LEU A 10 -5.006 0.448 -10.091 1.00 0.00 H +ATOM 160 HB3 LEU A 10 -4.789 2.094 -10.640 1.00 0.00 H +ATOM 161 HG LEU A 10 -5.867 2.092 -8.482 1.00 0.00 H +ATOM 162 HD11 LEU A 10 -7.586 2.916 -10.786 1.00 0.00 H +ATOM 163 HD12 LEU A 10 -6.581 3.910 -9.731 1.00 0.00 H +ATOM 164 HD13 LEU A 10 -8.076 3.199 -9.116 1.00 0.00 H +ATOM 165 HD21 LEU A 10 -6.901 0.017 -8.265 1.00 0.00 H +ATOM 166 HD22 LEU A 10 -7.798 0.198 -9.771 1.00 0.00 H +ATOM 167 HD23 LEU A 10 -8.247 1.153 -8.358 1.00 0.00 H +ATOM 168 N LYS A 11 -6.893 2.781 -13.246 1.00 0.00 N +ATOM 169 CA LYS A 11 -6.690 3.808 -14.257 1.00 0.00 C +ATOM 170 C LYS A 11 -6.946 5.190 -13.679 1.00 0.00 C +ATOM 171 O LYS A 11 -7.941 5.417 -12.988 1.00 0.00 O +ATOM 172 CB LYS A 11 -7.597 3.598 -15.478 1.00 0.00 C +ATOM 173 CG LYS A 11 -7.240 2.388 -16.325 1.00 0.00 C +ATOM 174 CD LYS A 11 -8.149 2.281 -17.539 1.00 0.00 C +ATOM 175 CE LYS A 11 -7.760 1.111 -18.425 1.00 0.00 C +ATOM 176 NZ LYS A 11 -8.649 0.993 -19.615 1.00 0.00 N +ATOM 177 H LYS A 11 -7.773 2.723 -12.804 1.00 0.00 H +ATOM 178 HA LYS A 11 -5.658 3.753 -14.575 1.00 0.00 H +ATOM 179 HB2 LYS A 11 -8.615 3.484 -15.139 1.00 0.00 H +ATOM 180 HB3 LYS A 11 -7.535 4.477 -16.109 1.00 0.00 H +ATOM 181 HG2 LYS A 11 -6.220 2.482 -16.657 1.00 0.00 H +ATOM 182 HG3 LYS A 11 -7.346 1.497 -15.725 1.00 0.00 H +ATOM 183 HD2 LYS A 11 -9.166 2.143 -17.203 1.00 0.00 H +ATOM 184 HD3 LYS A 11 -8.077 3.194 -18.111 1.00 0.00 H +ATOM 185 HE2 LYS A 11 -6.744 1.254 -18.763 1.00 0.00 H +ATOM 186 HE3 LYS A 11 -7.822 0.201 -17.849 1.00 0.00 H +ATOM 187 HZ1 LYS A 11 -8.173 1.378 -20.455 1.00 0.00 H +ATOM 188 HZ2 LYS A 11 -9.531 1.522 -19.457 1.00 0.00 H +ATOM 189 HZ3 LYS A 11 -8.883 -0.006 -19.788 1.00 0.00 H +ATOM 190 N LEU A 12 -6.035 6.106 -13.957 1.00 0.00 N +ATOM 191 CA LEU A 12 -6.176 7.472 -13.490 1.00 0.00 C +ATOM 192 C LEU A 12 -6.411 8.388 -14.677 1.00 0.00 C +ATOM 193 O LEU A 12 -5.639 8.370 -15.638 1.00 0.00 O +ATOM 194 CB LEU A 12 -4.925 7.929 -12.729 1.00 0.00 C +ATOM 195 CG LEU A 12 -5.183 8.593 -11.368 1.00 0.00 C +ATOM 196 CD1 LEU A 12 -3.898 9.177 -10.806 1.00 0.00 C +ATOM 197 CD2 LEU A 12 -6.245 9.676 -11.476 1.00 0.00 C +ATOM 198 H LEU A 12 -5.241 5.850 -14.489 1.00 0.00 H +ATOM 199 HA LEU A 12 -7.027 7.490 -12.825 1.00 0.00 H +ATOM 200 HB2 LEU A 12 -4.294 7.066 -12.569 1.00 0.00 H +ATOM 201 HB3 LEU A 12 -4.390 8.633 -13.350 1.00 0.00 H +ATOM 202 HG LEU A 12 -5.537 7.843 -10.675 1.00 0.00 H +ATOM 203 HD11 LEU A 12 -3.051 8.646 -11.213 1.00 0.00 H +ATOM 204 HD12 LEU A 12 -3.899 9.081 -9.730 1.00 0.00 H +ATOM 205 HD13 LEU A 12 -3.830 10.222 -11.072 1.00 0.00 H +ATOM 206 HD21 LEU A 12 -6.186 10.324 -10.614 1.00 0.00 H +ATOM 207 HD22 LEU A 12 -7.223 9.221 -11.519 1.00 0.00 H +ATOM 208 HD23 LEU A 12 -6.079 10.256 -12.373 1.00 0.00 H +ATOM 209 N TYR A 13 -7.465 9.182 -14.630 1.00 0.00 N +ATOM 210 CA TYR A 13 -7.760 10.100 -15.711 1.00 0.00 C +ATOM 211 C TYR A 13 -7.276 11.483 -15.312 1.00 0.00 C +ATOM 212 O TYR A 13 -7.748 12.045 -14.325 1.00 0.00 O +ATOM 213 CB TYR A 13 -9.267 10.120 -15.978 1.00 0.00 C +ATOM 214 CG TYR A 13 -9.814 8.781 -16.428 1.00 0.00 C +ATOM 215 CD1 TYR A 13 -10.313 7.865 -15.509 1.00 0.00 C +ATOM 216 CD2 TYR A 13 -9.827 8.429 -17.772 1.00 0.00 C +ATOM 217 CE1 TYR A 13 -10.808 6.641 -15.915 1.00 0.00 C +ATOM 218 CE2 TYR A 13 -10.322 7.207 -18.187 1.00 0.00 C +ATOM 219 CZ TYR A 13 -10.811 6.315 -17.255 1.00 0.00 C +ATOM 220 OH TYR A 13 -11.303 5.097 -17.662 1.00 0.00 O +ATOM 221 H TYR A 13 -8.066 9.184 -13.851 1.00 0.00 H +ATOM 222 HA TYR A 13 -7.248 9.774 -16.608 1.00 0.00 H +ATOM 223 HB2 TYR A 13 -9.783 10.404 -15.074 1.00 0.00 H +ATOM 224 HB3 TYR A 13 -9.478 10.844 -16.751 1.00 0.00 H +ATOM 225 HD1 TYR A 13 -10.309 8.120 -14.458 1.00 0.00 H +ATOM 226 HD2 TYR A 13 -9.444 9.128 -18.501 1.00 0.00 H +ATOM 227 HE1 TYR A 13 -11.190 5.943 -15.185 1.00 0.00 H +ATOM 228 HE2 TYR A 13 -10.324 6.954 -19.237 1.00 0.00 H +ATOM 229 HH TYR A 13 -11.355 5.073 -18.623 1.00 0.00 H +ATOM 230 N VAL A 14 -6.345 12.037 -16.072 1.00 0.00 N +ATOM 231 CA VAL A 14 -5.791 13.343 -15.757 1.00 0.00 C +ATOM 232 C VAL A 14 -5.900 14.294 -16.938 1.00 0.00 C +ATOM 233 O VAL A 14 -6.061 13.867 -18.084 1.00 0.00 O +ATOM 234 CB VAL A 14 -4.308 13.242 -15.320 1.00 0.00 C +ATOM 235 CG1 VAL A 14 -4.182 12.526 -13.977 1.00 0.00 C +ATOM 236 CG2 VAL A 14 -3.474 12.535 -16.379 1.00 0.00 C +ATOM 237 H VAL A 14 -6.026 11.564 -16.874 1.00 0.00 H +ATOM 238 HA VAL A 14 -6.341 13.752 -14.921 1.00 0.00 H +ATOM 239 HB VAL A 14 -3.924 14.245 -15.203 1.00 0.00 H +ATOM 240 HG11 VAL A 14 -4.699 13.093 -13.212 1.00 0.00 H +ATOM 241 HG12 VAL A 14 -3.135 12.436 -13.710 1.00 0.00 H +ATOM 242 HG13 VAL A 14 -4.619 11.541 -14.051 1.00 0.00 H +ATOM 243 HG21 VAL A 14 -3.425 13.145 -17.268 1.00 0.00 H +ATOM 244 HG22 VAL A 14 -3.926 11.584 -16.618 1.00 0.00 H +ATOM 245 HG23 VAL A 14 -2.474 12.371 -15.999 1.00 0.00 H +ATOM 246 N ALA A 15 -5.809 15.585 -16.651 1.00 0.00 N +ATOM 247 CA ALA A 15 -5.900 16.598 -17.685 1.00 0.00 C +ATOM 248 C ALA A 15 -4.604 17.395 -17.751 1.00 0.00 C +ATOM 249 O ALA A 15 -4.359 18.269 -16.918 1.00 0.00 O +ATOM 250 CB ALA A 15 -7.083 17.521 -17.436 1.00 0.00 C +ATOM 251 H ALA A 15 -5.632 15.856 -15.727 1.00 0.00 H +ATOM 252 HA ALA A 15 -6.047 16.097 -18.630 1.00 0.00 H +ATOM 253 HB1 ALA A 15 -7.598 17.708 -18.366 1.00 0.00 H +ATOM 254 HB2 ALA A 15 -6.730 18.456 -17.027 1.00 0.00 H +ATOM 255 HB3 ALA A 15 -7.763 17.057 -16.735 1.00 0.00 H +ATOM 256 N GLY A 16 -3.785 17.087 -18.755 1.00 0.00 N +ATOM 257 CA GLY A 16 -2.518 17.776 -18.924 1.00 0.00 C +ATOM 258 C GLY A 16 -1.588 17.590 -17.740 1.00 0.00 C +ATOM 259 O GLY A 16 -1.401 16.472 -17.261 1.00 0.00 O +ATOM 260 H GLY A 16 -4.038 16.378 -19.383 1.00 0.00 H +ATOM 261 HA2 GLY A 16 -2.031 17.398 -19.810 1.00 0.00 H +ATOM 262 HA3 GLY A 16 -2.709 18.831 -19.054 1.00 0.00 H +ATOM 263 N ASN A 17 -1.007 18.687 -17.267 1.00 0.00 N +ATOM 264 CA ASN A 17 -0.089 18.634 -16.133 1.00 0.00 C +ATOM 265 C ASN A 17 -0.456 19.662 -15.073 1.00 0.00 C +ATOM 266 O ASN A 17 0.407 20.384 -14.572 1.00 0.00 O +ATOM 267 CB ASN A 17 1.361 18.849 -16.589 1.00 0.00 C +ATOM 268 CG ASN A 17 1.818 17.838 -17.622 1.00 0.00 C +ATOM 269 OD1 ASN A 17 2.167 18.197 -18.744 1.00 0.00 O +ATOM 270 ND2 ASN A 17 1.822 16.565 -17.248 1.00 0.00 N +ATOM 271 H ASN A 17 -1.200 19.551 -17.686 1.00 0.00 H +ATOM 272 HA ASN A 17 -0.177 17.650 -15.689 1.00 0.00 H +ATOM 273 HB2 ASN A 17 1.450 19.836 -17.019 1.00 0.00 H +ATOM 274 HB3 ASN A 17 2.013 18.780 -15.730 1.00 0.00 H +ATOM 275 HD21 ASN A 17 1.533 16.348 -16.338 1.00 0.00 H +ATOM 276 HD22 ASN A 17 2.113 15.893 -17.900 1.00 0.00 H +ATOM 277 N THR A 18 -1.739 19.739 -14.746 1.00 0.00 N +ATOM 278 CA THR A 18 -2.200 20.664 -13.721 1.00 0.00 C +ATOM 279 C THR A 18 -1.744 20.174 -12.354 1.00 0.00 C +ATOM 280 O THR A 18 -1.498 18.979 -12.178 1.00 0.00 O +ATOM 281 CB THR A 18 -3.736 20.805 -13.724 1.00 0.00 C +ATOM 282 OG1 THR A 18 -4.349 19.545 -13.413 1.00 0.00 O +ATOM 283 CG2 THR A 18 -4.234 21.302 -15.069 1.00 0.00 C +ATOM 284 H THR A 18 -2.384 19.149 -15.191 1.00 0.00 H +ATOM 285 HA THR A 18 -1.760 21.633 -13.915 1.00 0.00 H +ATOM 286 HB THR A 18 -4.015 21.524 -12.968 1.00 0.00 H +ATOM 287 HG1 THR A 18 -3.899 18.841 -13.891 1.00 0.00 H +ATOM 288 HG21 THR A 18 -3.492 21.950 -15.510 1.00 0.00 H +ATOM 289 HG22 THR A 18 -5.155 21.850 -14.930 1.00 0.00 H +ATOM 290 HG23 THR A 18 -4.411 20.460 -15.722 1.00 0.00 H +ATOM 291 N PRO A 19 -1.622 21.073 -11.366 1.00 0.00 N +ATOM 292 CA PRO A 19 -1.185 20.692 -10.017 1.00 0.00 C +ATOM 293 C PRO A 19 -2.036 19.576 -9.415 1.00 0.00 C +ATOM 294 O PRO A 19 -1.513 18.706 -8.727 1.00 0.00 O +ATOM 295 CB PRO A 19 -1.327 21.997 -9.225 1.00 0.00 C +ATOM 296 CG PRO A 19 -1.161 23.061 -10.254 1.00 0.00 C +ATOM 297 CD PRO A 19 -1.842 22.531 -11.483 1.00 0.00 C +ATOM 298 HA PRO A 19 -0.153 20.378 -10.028 1.00 0.00 H +ATOM 299 HB2 PRO A 19 -2.301 22.042 -8.760 1.00 0.00 H +ATOM 300 HB3 PRO A 19 -0.557 22.051 -8.473 1.00 0.00 H +ATOM 301 HG2 PRO A 19 -1.636 23.973 -9.923 1.00 0.00 H +ATOM 302 HG3 PRO A 19 -0.113 23.228 -10.448 1.00 0.00 H +ATOM 303 HD2 PRO A 19 -2.893 22.773 -11.469 1.00 0.00 H +ATOM 304 HD3 PRO A 19 -1.371 22.923 -12.373 1.00 0.00 H +ATOM 305 N ASN A 20 -3.341 19.600 -9.680 1.00 0.00 N +ATOM 306 CA ASN A 20 -4.235 18.565 -9.156 1.00 0.00 C +ATOM 307 C ASN A 20 -3.890 17.202 -9.757 1.00 0.00 C +ATOM 308 O ASN A 20 -3.823 16.200 -9.046 1.00 0.00 O +ATOM 309 CB ASN A 20 -5.709 18.889 -9.452 1.00 0.00 C +ATOM 310 CG ASN A 20 -6.186 20.138 -8.734 1.00 0.00 C +ATOM 311 OD1 ASN A 20 -6.503 21.144 -9.365 1.00 0.00 O +ATOM 312 ND2 ASN A 20 -6.243 20.076 -7.410 1.00 0.00 N +ATOM 313 H ASN A 20 -3.692 20.318 -10.244 1.00 0.00 H +ATOM 314 HA ASN A 20 -4.097 18.531 -8.080 1.00 0.00 H +ATOM 315 HB2 ASN A 20 -5.851 19.025 -10.516 1.00 0.00 H +ATOM 316 HB3 ASN A 20 -6.319 18.059 -9.124 1.00 0.00 H +ATOM 317 HD21 ASN A 20 -5.977 19.241 -6.972 1.00 0.00 H +ATOM 318 HD22 ASN A 20 -6.548 20.871 -6.925 1.00 0.00 H +ATOM 319 N SER A 21 -3.671 17.175 -11.077 1.00 0.00 N +ATOM 320 CA SER A 21 -3.315 15.945 -11.777 1.00 0.00 C +ATOM 321 C SER A 21 -1.906 15.493 -11.428 1.00 0.00 C +ATOM 322 O SER A 21 -1.671 14.299 -11.245 1.00 0.00 O +ATOM 323 CB SER A 21 -3.473 16.120 -13.289 1.00 0.00 C +ATOM 324 OG SER A 21 -2.655 17.163 -13.790 1.00 0.00 O +ATOM 325 H SER A 21 -3.763 18.004 -11.599 1.00 0.00 H +ATOM 326 HA SER A 21 -3.975 15.151 -11.454 1.00 0.00 H +ATOM 327 HB2 SER A 21 -3.190 15.203 -13.778 1.00 0.00 H +ATOM 328 HB3 SER A 21 -4.504 16.347 -13.518 1.00 0.00 H +ATOM 329 HG SER A 21 -2.221 17.620 -13.058 1.00 0.00 H +ATOM 330 N VAL A 22 -0.970 16.431 -11.327 1.00 0.00 N +ATOM 331 CA VAL A 22 0.399 16.083 -10.970 1.00 0.00 C +ATOM 332 C VAL A 22 0.442 15.515 -9.558 1.00 0.00 C +ATOM 333 O VAL A 22 1.078 14.492 -9.304 1.00 0.00 O +ATOM 334 CB VAL A 22 1.354 17.292 -11.088 1.00 0.00 C +ATOM 335 CG1 VAL A 22 2.706 16.984 -10.463 1.00 0.00 C +ATOM 336 CG2 VAL A 22 1.518 17.705 -12.542 1.00 0.00 C +ATOM 337 H VAL A 22 -1.202 17.372 -11.499 1.00 0.00 H +ATOM 338 HA VAL A 22 0.711 15.308 -11.654 1.00 0.00 H +ATOM 339 HB VAL A 22 0.918 18.121 -10.549 1.00 0.00 H +ATOM 340 HG11 VAL A 22 3.065 16.034 -10.831 1.00 0.00 H +ATOM 341 HG12 VAL A 22 2.596 16.935 -9.387 1.00 0.00 H +ATOM 342 HG13 VAL A 22 3.409 17.761 -10.720 1.00 0.00 H +ATOM 343 HG21 VAL A 22 2.394 18.328 -12.643 1.00 0.00 H +ATOM 344 HG22 VAL A 22 0.645 18.256 -12.859 1.00 0.00 H +ATOM 345 HG23 VAL A 22 1.630 16.823 -13.156 1.00 0.00 H +ATOM 346 N ARG A 23 -0.270 16.175 -8.655 1.00 0.00 N +ATOM 347 CA ARG A 23 -0.338 15.759 -7.262 1.00 0.00 C +ATOM 348 C ARG A 23 -0.953 14.374 -7.152 1.00 0.00 C +ATOM 349 O ARG A 23 -0.434 13.501 -6.454 1.00 0.00 O +ATOM 350 CB ARG A 23 -1.214 16.739 -6.493 1.00 0.00 C +ATOM 351 CG ARG A 23 -0.870 16.878 -5.023 1.00 0.00 C +ATOM 352 CD ARG A 23 -0.081 18.148 -4.769 1.00 0.00 C +ATOM 353 NE ARG A 23 0.206 18.342 -3.351 1.00 0.00 N +ATOM 354 CZ ARG A 23 0.912 19.363 -2.873 1.00 0.00 C +ATOM 355 NH1 ARG A 23 1.400 20.279 -3.699 1.00 0.00 N +ATOM 356 NH2 ARG A 23 1.129 19.466 -1.568 1.00 0.00 N +ATOM 357 H ARG A 23 -0.770 16.974 -8.934 1.00 0.00 H +ATOM 358 HA ARG A 23 0.658 15.755 -6.849 1.00 0.00 H +ATOM 359 HB2 ARG A 23 -1.124 17.711 -6.956 1.00 0.00 H +ATOM 360 HB3 ARG A 23 -2.242 16.404 -6.568 1.00 0.00 H +ATOM 361 HG2 ARG A 23 -1.786 16.914 -4.454 1.00 0.00 H +ATOM 362 HG3 ARG A 23 -0.282 16.027 -4.717 1.00 0.00 H +ATOM 363 HD2 ARG A 23 0.851 18.092 -5.313 1.00 0.00 H +ATOM 364 HD3 ARG A 23 -0.658 18.988 -5.131 1.00 0.00 H +ATOM 365 HE ARG A 23 -0.145 17.677 -2.722 1.00 0.00 H +ATOM 366 HH11 ARG A 23 1.236 20.201 -4.684 1.00 0.00 H +ATOM 367 HH12 ARG A 23 1.930 21.047 -3.342 1.00 0.00 H +ATOM 368 HH21 ARG A 23 0.763 18.776 -0.945 1.00 0.00 H +ATOM 369 HH22 ARG A 23 1.661 20.233 -1.208 1.00 0.00 H +ATOM 370 N ALA A 24 -2.069 14.186 -7.854 1.00 0.00 N +ATOM 371 CA ALA A 24 -2.779 12.913 -7.835 1.00 0.00 C +ATOM 372 C ALA A 24 -1.927 11.778 -8.399 1.00 0.00 C +ATOM 373 O ALA A 24 -1.874 10.689 -7.826 1.00 0.00 O +ATOM 374 CB ALA A 24 -4.081 13.021 -8.611 1.00 0.00 C +ATOM 375 H ALA A 24 -2.426 14.933 -8.394 1.00 0.00 H +ATOM 376 HA ALA A 24 -3.023 12.697 -6.806 1.00 0.00 H +ATOM 377 HB1 ALA A 24 -4.428 14.044 -8.592 1.00 0.00 H +ATOM 378 HB2 ALA A 24 -4.824 12.381 -8.159 1.00 0.00 H +ATOM 379 HB3 ALA A 24 -3.917 12.717 -9.635 1.00 0.00 H +ATOM 380 N LEU A 25 -1.261 12.041 -9.526 1.00 0.00 N +ATOM 381 CA LEU A 25 -0.407 11.039 -10.159 1.00 0.00 C +ATOM 382 C LEU A 25 0.769 10.650 -9.276 1.00 0.00 C +ATOM 383 O LEU A 25 1.090 9.469 -9.161 1.00 0.00 O +ATOM 384 CB LEU A 25 0.095 11.527 -11.520 1.00 0.00 C +ATOM 385 CG LEU A 25 -0.944 11.524 -12.631 1.00 0.00 C +ATOM 386 CD1 LEU A 25 -0.414 12.256 -13.853 1.00 0.00 C +ATOM 387 CD2 LEU A 25 -1.319 10.096 -12.980 1.00 0.00 C +ATOM 388 H LEU A 25 -1.367 12.925 -9.948 1.00 0.00 H +ATOM 389 HA LEU A 25 -1.009 10.156 -10.314 1.00 0.00 H +ATOM 390 HB2 LEU A 25 0.456 12.537 -11.406 1.00 0.00 H +ATOM 391 HB3 LEU A 25 0.917 10.899 -11.826 1.00 0.00 H +ATOM 392 HG LEU A 25 -1.833 12.034 -12.288 1.00 0.00 H +ATOM 393 HD11 LEU A 25 0.664 12.281 -13.817 1.00 0.00 H +ATOM 394 HD12 LEU A 25 -0.799 13.265 -13.863 1.00 0.00 H +ATOM 395 HD13 LEU A 25 -0.734 11.741 -14.747 1.00 0.00 H +ATOM 396 HD21 LEU A 25 -0.987 9.870 -13.983 1.00 0.00 H +ATOM 397 HD22 LEU A 25 -2.390 9.977 -12.920 1.00 0.00 H +ATOM 398 HD23 LEU A 25 -0.842 9.417 -12.282 1.00 0.00 H +ATOM 399 N LYS A 26 1.404 11.635 -8.647 1.00 0.00 N +ATOM 400 CA LYS A 26 2.536 11.353 -7.770 1.00 0.00 C +ATOM 401 C LYS A 26 2.080 10.537 -6.566 1.00 0.00 C +ATOM 402 O LYS A 26 2.759 9.602 -6.144 1.00 0.00 O +ATOM 403 CB LYS A 26 3.189 12.654 -7.290 1.00 0.00 C +ATOM 404 CG LYS A 26 3.816 13.483 -8.402 1.00 0.00 C +ATOM 405 CD LYS A 26 4.977 12.763 -9.065 1.00 0.00 C +ATOM 406 CE LYS A 26 5.611 13.627 -10.144 1.00 0.00 C +ATOM 407 NZ LYS A 26 6.747 12.939 -10.814 1.00 0.00 N +ATOM 408 H LYS A 26 1.124 12.567 -8.793 1.00 0.00 H +ATOM 409 HA LYS A 26 3.257 10.777 -8.328 1.00 0.00 H +ATOM 410 HB2 LYS A 26 2.438 13.259 -6.802 1.00 0.00 H +ATOM 411 HB3 LYS A 26 3.960 12.411 -6.573 1.00 0.00 H +ATOM 412 HG2 LYS A 26 3.062 13.689 -9.149 1.00 0.00 H +ATOM 413 HG3 LYS A 26 4.172 14.413 -7.984 1.00 0.00 H +ATOM 414 HD2 LYS A 26 5.721 12.531 -8.317 1.00 0.00 H +ATOM 415 HD3 LYS A 26 4.615 11.851 -9.514 1.00 0.00 H +ATOM 416 HE2 LYS A 26 4.859 13.868 -10.881 1.00 0.00 H +ATOM 417 HE3 LYS A 26 5.970 14.540 -9.689 1.00 0.00 H +ATOM 418 HZ1 LYS A 26 7.479 12.691 -10.116 1.00 0.00 H +ATOM 419 HZ2 LYS A 26 7.168 13.562 -11.533 1.00 0.00 H +ATOM 420 HZ3 LYS A 26 6.415 12.069 -11.277 1.00 0.00 H +ATOM 421 N THR A 27 0.917 10.897 -6.029 1.00 0.00 N +ATOM 422 CA THR A 27 0.351 10.216 -4.872 1.00 0.00 C +ATOM 423 C THR A 27 -0.036 8.766 -5.182 1.00 0.00 C +ATOM 424 O THR A 27 0.350 7.852 -4.456 1.00 0.00 O +ATOM 425 CB THR A 27 -0.889 10.987 -4.372 1.00 0.00 C +ATOM 426 OG1 THR A 27 -0.514 12.321 -4.013 1.00 0.00 O +ATOM 427 CG2 THR A 27 -1.523 10.312 -3.172 1.00 0.00 C +ATOM 428 H THR A 27 0.413 11.641 -6.424 1.00 0.00 H +ATOM 429 HA THR A 27 1.084 10.217 -4.082 1.00 0.00 H +ATOM 430 HB THR A 27 -1.615 11.027 -5.171 1.00 0.00 H +ATOM 431 HG1 THR A 27 -0.476 12.868 -4.807 1.00 0.00 H +ATOM 432 HG21 THR A 27 -2.357 9.708 -3.498 1.00 0.00 H +ATOM 433 HG22 THR A 27 -1.872 11.065 -2.481 1.00 0.00 H +ATOM 434 HG23 THR A 27 -0.793 9.682 -2.684 1.00 0.00 H +ATOM 435 N LEU A 28 -0.774 8.554 -6.272 1.00 0.00 N +ATOM 436 CA LEU A 28 -1.221 7.207 -6.630 1.00 0.00 C +ATOM 437 C LEU A 28 -0.069 6.308 -7.073 1.00 0.00 C +ATOM 438 O LEU A 28 0.044 5.167 -6.622 1.00 0.00 O +ATOM 439 CB LEU A 28 -2.279 7.270 -7.739 1.00 0.00 C +ATOM 440 CG LEU A 28 -2.866 5.917 -8.166 1.00 0.00 C +ATOM 441 CD1 LEU A 28 -3.603 5.258 -7.013 1.00 0.00 C +ATOM 442 CD2 LEU A 28 -3.794 6.087 -9.352 1.00 0.00 C +ATOM 443 H LEU A 28 -1.024 9.315 -6.844 1.00 0.00 H +ATOM 444 HA LEU A 28 -1.683 6.786 -5.746 1.00 0.00 H +ATOM 445 HB2 LEU A 28 -3.089 7.899 -7.399 1.00 0.00 H +ATOM 446 HB3 LEU A 28 -1.830 7.731 -8.607 1.00 0.00 H +ATOM 447 HG LEU A 28 -2.066 5.257 -8.465 1.00 0.00 H +ATOM 448 HD11 LEU A 28 -4.139 4.392 -7.374 1.00 0.00 H +ATOM 449 HD12 LEU A 28 -4.303 5.961 -6.584 1.00 0.00 H +ATOM 450 HD13 LEU A 28 -2.893 4.953 -6.259 1.00 0.00 H +ATOM 451 HD21 LEU A 28 -4.073 5.115 -9.734 1.00 0.00 H +ATOM 452 HD22 LEU A 28 -3.289 6.647 -10.126 1.00 0.00 H +ATOM 453 HD23 LEU A 28 -4.680 6.619 -9.042 1.00 0.00 H +ATOM 454 N ALA A 29 0.795 6.830 -7.950 1.00 0.00 N +ATOM 455 CA ALA A 29 1.918 6.058 -8.477 1.00 0.00 C +ATOM 456 C ALA A 29 2.903 5.642 -7.395 1.00 0.00 C +ATOM 457 O ALA A 29 3.333 4.496 -7.363 1.00 0.00 O +ATOM 458 CB ALA A 29 2.645 6.849 -9.555 1.00 0.00 C +ATOM 459 H ALA A 29 0.686 7.760 -8.253 1.00 0.00 H +ATOM 460 HA ALA A 29 1.517 5.169 -8.941 1.00 0.00 H +ATOM 461 HB1 ALA A 29 3.706 6.841 -9.354 1.00 0.00 H +ATOM 462 HB2 ALA A 29 2.287 7.869 -9.557 1.00 0.00 H +ATOM 463 HB3 ALA A 29 2.457 6.402 -10.520 1.00 0.00 H +ATOM 464 N ASN A 30 3.233 6.562 -6.497 1.00 0.00 N +ATOM 465 CA ASN A 30 4.191 6.263 -5.426 1.00 0.00 C +ATOM 466 C ASN A 30 3.631 5.213 -4.474 1.00 0.00 C +ATOM 467 O ASN A 30 4.355 4.316 -4.037 1.00 0.00 O +ATOM 468 CB ASN A 30 4.566 7.532 -4.656 1.00 0.00 C +ATOM 469 CG ASN A 30 6.002 7.518 -4.159 1.00 0.00 C +ATOM 470 OD1 ASN A 30 6.705 8.523 -4.240 1.00 0.00 O +ATOM 471 ND2 ASN A 30 6.447 6.380 -3.639 1.00 0.00 N +ATOM 472 H ASN A 30 2.808 7.450 -6.538 1.00 0.00 H +ATOM 473 HA ASN A 30 5.077 5.841 -5.876 1.00 0.00 H +ATOM 474 HB2 ASN A 30 4.441 8.389 -5.301 1.00 0.00 H +ATOM 475 HB3 ASN A 30 3.912 7.633 -3.803 1.00 0.00 H +ATOM 476 HD21 ASN A 30 5.834 5.614 -3.603 1.00 0.00 H +ATOM 477 HD22 ASN A 30 7.370 6.352 -3.313 1.00 0.00 H +ATOM 478 N ILE A 31 2.354 5.331 -4.141 1.00 0.00 N +ATOM 479 CA ILE A 31 1.717 4.367 -3.262 1.00 0.00 C +ATOM 480 C ILE A 31 1.689 2.982 -3.907 1.00 0.00 C +ATOM 481 O ILE A 31 2.006 1.986 -3.270 1.00 0.00 O +ATOM 482 CB ILE A 31 0.315 4.827 -2.834 1.00 0.00 C +ATOM 483 CG1 ILE A 31 0.465 5.998 -1.869 1.00 0.00 C +ATOM 484 CG2 ILE A 31 -0.480 3.700 -2.197 1.00 0.00 C +ATOM 485 CD1 ILE A 31 -0.827 6.699 -1.558 1.00 0.00 C +ATOM 486 H ILE A 31 1.841 6.081 -4.507 1.00 0.00 H +ATOM 487 HA ILE A 31 2.331 4.329 -2.374 1.00 0.00 H +ATOM 488 HB ILE A 31 -0.217 5.163 -3.712 1.00 0.00 H +ATOM 489 HG12 ILE A 31 0.877 5.633 -0.940 1.00 0.00 H +ATOM 490 HG13 ILE A 31 1.144 6.721 -2.298 1.00 0.00 H +ATOM 491 HG21 ILE A 31 -0.281 3.674 -1.136 1.00 0.00 H +ATOM 492 HG22 ILE A 31 -0.192 2.759 -2.641 1.00 0.00 H +ATOM 493 HG23 ILE A 31 -1.535 3.870 -2.361 1.00 0.00 H +ATOM 494 HD11 ILE A 31 -1.621 5.972 -1.507 1.00 0.00 H +ATOM 495 HD12 ILE A 31 -1.040 7.416 -2.335 1.00 0.00 H +ATOM 496 HD13 ILE A 31 -0.741 7.206 -0.610 1.00 0.00 H +ATOM 497 N LEU A 32 1.323 2.927 -5.179 1.00 0.00 N +ATOM 498 CA LEU A 32 1.278 1.661 -5.903 1.00 0.00 C +ATOM 499 C LEU A 32 2.680 1.071 -6.118 1.00 0.00 C +ATOM 500 O LEU A 32 2.852 -0.140 -6.100 1.00 0.00 O +ATOM 501 CB LEU A 32 0.547 1.826 -7.235 1.00 0.00 C +ATOM 502 CG LEU A 32 -0.965 2.050 -7.109 1.00 0.00 C +ATOM 503 CD1 LEU A 32 -1.565 2.421 -8.454 1.00 0.00 C +ATOM 504 CD2 LEU A 32 -1.637 0.805 -6.551 1.00 0.00 C +ATOM 505 H LEU A 32 1.068 3.756 -5.643 1.00 0.00 H +ATOM 506 HA LEU A 32 0.719 0.968 -5.293 1.00 0.00 H +ATOM 507 HB2 LEU A 32 0.975 2.671 -7.756 1.00 0.00 H +ATOM 508 HB3 LEU A 32 0.709 0.936 -7.825 1.00 0.00 H +ATOM 509 HG LEU A 32 -1.151 2.863 -6.419 1.00 0.00 H +ATOM 510 HD11 LEU A 32 -0.982 3.212 -8.902 1.00 0.00 H +ATOM 511 HD12 LEU A 32 -2.582 2.757 -8.314 1.00 0.00 H +ATOM 512 HD13 LEU A 32 -1.559 1.558 -9.103 1.00 0.00 H +ATOM 513 HD21 LEU A 32 -0.921 -0.001 -6.506 1.00 0.00 H +ATOM 514 HD22 LEU A 32 -2.458 0.522 -7.192 1.00 0.00 H +ATOM 515 HD23 LEU A 32 -2.009 1.011 -5.559 1.00 0.00 H +ATOM 516 N GLU A 33 3.670 1.931 -6.348 1.00 0.00 N +ATOM 517 CA GLU A 33 5.051 1.487 -6.574 1.00 0.00 C +ATOM 518 C GLU A 33 5.716 0.927 -5.316 1.00 0.00 C +ATOM 519 O GLU A 33 6.638 0.123 -5.413 1.00 0.00 O +ATOM 520 CB GLU A 33 5.912 2.624 -7.131 1.00 0.00 C +ATOM 521 CG GLU A 33 5.562 3.018 -8.556 1.00 0.00 C +ATOM 522 CD GLU A 33 6.355 4.213 -9.047 1.00 0.00 C +ATOM 523 OE1 GLU A 33 7.036 4.858 -8.222 1.00 0.00 O +ATOM 524 OE2 GLU A 33 6.294 4.506 -10.260 1.00 0.00 O +ATOM 525 H GLU A 33 3.469 2.890 -6.369 1.00 0.00 H +ATOM 526 HA GLU A 33 5.015 0.698 -7.311 1.00 0.00 H +ATOM 527 HB2 GLU A 33 5.790 3.494 -6.502 1.00 0.00 H +ATOM 528 HB3 GLU A 33 6.949 2.318 -7.109 1.00 0.00 H +ATOM 529 HG2 GLU A 33 5.759 2.181 -9.208 1.00 0.00 H +ATOM 530 HG3 GLU A 33 4.511 3.266 -8.594 1.00 0.00 H +ATOM 531 N LYS A 34 5.292 1.374 -4.138 1.00 0.00 N +ATOM 532 CA LYS A 34 5.905 0.889 -2.901 1.00 0.00 C +ATOM 533 C LYS A 34 4.924 0.103 -2.029 1.00 0.00 C +ATOM 534 O LYS A 34 5.180 -1.047 -1.677 1.00 0.00 O +ATOM 535 CB LYS A 34 6.480 2.060 -2.096 1.00 0.00 C +ATOM 536 CG LYS A 34 7.498 2.896 -2.861 1.00 0.00 C +ATOM 537 CD LYS A 34 8.727 2.084 -3.238 1.00 0.00 C +ATOM 538 CE LYS A 34 9.757 2.937 -3.962 1.00 0.00 C +ATOM 539 NZ LYS A 34 10.960 2.149 -4.349 1.00 0.00 N +ATOM 540 H LYS A 34 4.568 2.034 -4.099 1.00 0.00 H +ATOM 541 HA LYS A 34 6.715 0.231 -3.177 1.00 0.00 H +ATOM 542 HB2 LYS A 34 5.670 2.707 -1.795 1.00 0.00 H +ATOM 543 HB3 LYS A 34 6.962 1.668 -1.211 1.00 0.00 H +ATOM 544 HG2 LYS A 34 7.036 3.270 -3.763 1.00 0.00 H +ATOM 545 HG3 LYS A 34 7.805 3.728 -2.241 1.00 0.00 H +ATOM 546 HD2 LYS A 34 9.173 1.683 -2.341 1.00 0.00 H +ATOM 547 HD3 LYS A 34 8.425 1.273 -3.887 1.00 0.00 H +ATOM 548 HE2 LYS A 34 9.304 3.346 -4.853 1.00 0.00 H +ATOM 549 HE3 LYS A 34 10.059 3.743 -3.310 1.00 0.00 H +ATOM 550 HZ1 LYS A 34 11.491 1.867 -3.501 1.00 0.00 H +ATOM 551 HZ2 LYS A 34 11.579 2.720 -4.959 1.00 0.00 H +ATOM 552 HZ3 LYS A 34 10.675 1.294 -4.869 1.00 0.00 H +ATOM 553 N GLU A 35 3.805 0.732 -1.688 1.00 0.00 N +ATOM 554 CA GLU A 35 2.791 0.114 -0.833 1.00 0.00 C +ATOM 555 C GLU A 35 2.117 -1.099 -1.483 1.00 0.00 C +ATOM 556 O GLU A 35 1.874 -2.105 -0.818 1.00 0.00 O +ATOM 557 CB GLU A 35 1.736 1.157 -0.441 1.00 0.00 C +ATOM 558 CG GLU A 35 2.248 2.217 0.526 1.00 0.00 C +ATOM 559 CD GLU A 35 2.738 1.631 1.837 1.00 0.00 C +ATOM 560 OE1 GLU A 35 1.993 0.833 2.445 1.00 0.00 O +ATOM 561 OE2 GLU A 35 3.863 1.970 2.253 1.00 0.00 O +ATOM 562 H GLU A 35 3.645 1.636 -2.033 1.00 0.00 H +ATOM 563 HA GLU A 35 3.289 -0.220 0.065 1.00 0.00 H +ATOM 564 HB2 GLU A 35 1.393 1.662 -1.340 1.00 0.00 H +ATOM 565 HB3 GLU A 35 0.898 0.652 0.018 1.00 0.00 H +ATOM 566 HG2 GLU A 35 3.066 2.744 0.062 1.00 0.00 H +ATOM 567 HG3 GLU A 35 1.447 2.910 0.737 1.00 0.00 H +ATOM 568 N PHE A 36 1.815 -1.010 -2.777 1.00 0.00 N +ATOM 569 CA PHE A 36 1.148 -2.117 -3.473 1.00 0.00 C +ATOM 570 C PHE A 36 1.950 -2.634 -4.665 1.00 0.00 C +ATOM 571 O PHE A 36 1.367 -3.115 -5.645 1.00 0.00 O +ATOM 572 CB PHE A 36 -0.251 -1.694 -3.929 1.00 0.00 C +ATOM 573 CG PHE A 36 -1.167 -1.347 -2.792 1.00 0.00 C +ATOM 574 CD1 PHE A 36 -1.319 -0.033 -2.384 1.00 0.00 C +ATOM 575 CD2 PHE A 36 -1.868 -2.338 -2.124 1.00 0.00 C +ATOM 576 CE1 PHE A 36 -2.151 0.288 -1.332 1.00 0.00 C +ATOM 577 CE2 PHE A 36 -2.703 -2.023 -1.071 1.00 0.00 C +ATOM 578 CZ PHE A 36 -2.845 -0.708 -0.674 1.00 0.00 C +ATOM 579 H PHE A 36 2.032 -0.187 -3.270 1.00 0.00 H +ATOM 580 HA PHE A 36 1.045 -2.922 -2.761 1.00 0.00 H +ATOM 581 HB2 PHE A 36 -0.169 -0.830 -4.567 1.00 0.00 H +ATOM 582 HB3 PHE A 36 -0.700 -2.504 -4.485 1.00 0.00 H +ATOM 583 HD1 PHE A 36 -0.777 0.745 -2.899 1.00 0.00 H +ATOM 584 HD2 PHE A 36 -1.758 -3.367 -2.434 1.00 0.00 H +ATOM 585 HE1 PHE A 36 -2.261 1.317 -1.023 1.00 0.00 H +ATOM 586 HE2 PHE A 36 -3.245 -2.803 -0.557 1.00 0.00 H +ATOM 587 HZ PHE A 36 -3.496 -0.459 0.150 1.00 0.00 H +ATOM 588 N LYS A 37 3.275 -2.530 -4.590 1.00 0.00 N +ATOM 589 CA LYS A 37 4.142 -2.993 -5.674 1.00 0.00 C +ATOM 590 C LYS A 37 3.917 -4.473 -5.977 1.00 0.00 C +ATOM 591 O LYS A 37 3.996 -5.321 -5.089 1.00 0.00 O +ATOM 592 CB LYS A 37 5.612 -2.763 -5.316 1.00 0.00 C +ATOM 593 CG LYS A 37 6.543 -2.723 -6.523 1.00 0.00 C +ATOM 594 CD LYS A 37 7.146 -4.085 -6.826 1.00 0.00 C +ATOM 595 CE LYS A 37 8.119 -4.011 -7.990 1.00 0.00 C +ATOM 596 NZ LYS A 37 8.729 -5.335 -8.293 1.00 0.00 N +ATOM 597 H LYS A 37 3.677 -2.112 -3.801 1.00 0.00 H +ATOM 598 HA LYS A 37 3.902 -2.418 -6.556 1.00 0.00 H +ATOM 599 HB2 LYS A 37 5.702 -1.823 -4.791 1.00 0.00 H +ATOM 600 HB3 LYS A 37 5.940 -3.560 -4.665 1.00 0.00 H +ATOM 601 HG2 LYS A 37 5.983 -2.391 -7.386 1.00 0.00 H +ATOM 602 HG3 LYS A 37 7.341 -2.022 -6.323 1.00 0.00 H +ATOM 603 HD2 LYS A 37 7.673 -4.438 -5.951 1.00 0.00 H +ATOM 604 HD3 LYS A 37 6.351 -4.774 -7.073 1.00 0.00 H +ATOM 605 HE2 LYS A 37 7.589 -3.661 -8.863 1.00 0.00 H +ATOM 606 HE3 LYS A 37 8.903 -3.310 -7.744 1.00 0.00 H +ATOM 607 HZ1 LYS A 37 9.739 -5.329 -8.042 1.00 0.00 H +ATOM 608 HZ2 LYS A 37 8.638 -5.548 -9.307 1.00 0.00 H +ATOM 609 HZ3 LYS A 37 8.253 -6.081 -7.748 1.00 0.00 H +ATOM 610 N GLY A 38 3.638 -4.768 -7.243 1.00 0.00 N +ATOM 611 CA GLY A 38 3.421 -6.141 -7.657 1.00 0.00 C +ATOM 612 C GLY A 38 1.975 -6.583 -7.546 1.00 0.00 C +ATOM 613 O GLY A 38 1.628 -7.676 -7.991 1.00 0.00 O +ATOM 614 H GLY A 38 3.576 -4.046 -7.902 1.00 0.00 H +ATOM 615 HA2 GLY A 38 3.737 -6.247 -8.684 1.00 0.00 H +ATOM 616 HA3 GLY A 38 4.029 -6.786 -7.040 1.00 0.00 H +ATOM 617 N VAL A 39 1.122 -5.745 -6.961 1.00 0.00 N +ATOM 618 CA VAL A 39 -0.283 -6.106 -6.809 1.00 0.00 C +ATOM 619 C VAL A 39 -1.170 -5.334 -7.787 1.00 0.00 C +ATOM 620 O VAL A 39 -2.083 -5.908 -8.385 1.00 0.00 O +ATOM 621 CB VAL A 39 -0.784 -5.898 -5.361 1.00 0.00 C +ATOM 622 CG1 VAL A 39 -2.227 -6.362 -5.208 1.00 0.00 C +ATOM 623 CG2 VAL A 39 0.121 -6.619 -4.371 1.00 0.00 C +ATOM 624 H VAL A 39 1.441 -4.874 -6.636 1.00 0.00 H +ATOM 625 HA VAL A 39 -0.355 -7.154 -7.057 1.00 0.00 H +ATOM 626 HB VAL A 39 -0.747 -4.840 -5.140 1.00 0.00 H +ATOM 627 HG11 VAL A 39 -2.761 -6.190 -6.132 1.00 0.00 H +ATOM 628 HG12 VAL A 39 -2.701 -5.811 -4.410 1.00 0.00 H +ATOM 629 HG13 VAL A 39 -2.243 -7.417 -4.975 1.00 0.00 H +ATOM 630 HG21 VAL A 39 -0.094 -6.277 -3.370 1.00 0.00 H +ATOM 631 HG22 VAL A 39 1.153 -6.410 -4.609 1.00 0.00 H +ATOM 632 HG23 VAL A 39 -0.055 -7.683 -4.433 1.00 0.00 H +ATOM 633 N TYR A 40 -0.915 -4.042 -7.965 1.00 0.00 N +ATOM 634 CA TYR A 40 -1.740 -3.260 -8.883 1.00 0.00 C +ATOM 635 C TYR A 40 -0.944 -2.728 -10.068 1.00 0.00 C +ATOM 636 O TYR A 40 0.225 -2.362 -9.940 1.00 0.00 O +ATOM 637 CB TYR A 40 -2.402 -2.075 -8.181 1.00 0.00 C +ATOM 638 CG TYR A 40 -3.636 -2.384 -7.380 1.00 0.00 C +ATOM 639 CD1 TYR A 40 -3.553 -2.892 -6.092 1.00 0.00 C +ATOM 640 CD2 TYR A 40 -4.893 -2.121 -7.904 1.00 0.00 C +ATOM 641 CE1 TYR A 40 -4.690 -3.134 -5.351 1.00 0.00 C +ATOM 642 CE2 TYR A 40 -6.033 -2.364 -7.172 1.00 0.00 C +ATOM 643 CZ TYR A 40 -5.927 -2.867 -5.898 1.00 0.00 C +ATOM 644 OH TYR A 40 -7.060 -3.097 -5.168 1.00 0.00 O +ATOM 645 H TYR A 40 -0.165 -3.618 -7.492 1.00 0.00 H +ATOM 646 HA TYR A 40 -2.488 -3.946 -9.249 1.00 0.00 H +ATOM 647 HB2 TYR A 40 -1.687 -1.636 -7.504 1.00 0.00 H +ATOM 648 HB3 TYR A 40 -2.668 -1.339 -8.926 1.00 0.00 H +ATOM 649 HD1 TYR A 40 -2.581 -3.103 -5.672 1.00 0.00 H +ATOM 650 HD2 TYR A 40 -4.973 -1.726 -8.906 1.00 0.00 H +ATOM 651 HE1 TYR A 40 -4.609 -3.530 -4.350 1.00 0.00 H +ATOM 652 HE2 TYR A 40 -7.004 -2.157 -7.598 1.00 0.00 H +ATOM 653 HH TYR A 40 -6.898 -2.880 -4.245 1.00 0.00 H +ATOM 654 N ALA A 41 -1.601 -2.690 -11.220 1.00 0.00 N +ATOM 655 CA ALA A 41 -1.011 -2.147 -12.430 1.00 0.00 C +ATOM 656 C ALA A 41 -1.618 -0.767 -12.674 1.00 0.00 C +ATOM 657 O ALA A 41 -2.842 -0.632 -12.736 1.00 0.00 O +ATOM 658 CB ALA A 41 -1.261 -3.070 -13.613 1.00 0.00 C +ATOM 659 H ALA A 41 -2.517 -3.056 -11.258 1.00 0.00 H +ATOM 660 HA ALA A 41 0.055 -2.054 -12.274 1.00 0.00 H +ATOM 661 HB1 ALA A 41 -0.524 -2.881 -14.380 1.00 0.00 H +ATOM 662 HB2 ALA A 41 -2.248 -2.888 -14.011 1.00 0.00 H +ATOM 663 HB3 ALA A 41 -1.187 -4.100 -13.289 1.00 0.00 H +ATOM 664 N LEU A 42 -0.780 0.254 -12.805 1.00 0.00 N +ATOM 665 CA LEU A 42 -1.284 1.611 -12.993 1.00 0.00 C +ATOM 666 C LEU A 42 -1.327 2.034 -14.458 1.00 0.00 C +ATOM 667 O LEU A 42 -0.356 1.889 -15.202 1.00 0.00 O +ATOM 668 CB LEU A 42 -0.451 2.613 -12.185 1.00 0.00 C +ATOM 669 CG LEU A 42 -0.872 4.081 -12.334 1.00 0.00 C +ATOM 670 CD1 LEU A 42 -2.305 4.283 -11.862 1.00 0.00 C +ATOM 671 CD2 LEU A 42 0.073 4.987 -11.561 1.00 0.00 C +ATOM 672 H LEU A 42 0.186 0.097 -12.761 1.00 0.00 H +ATOM 673 HA LEU A 42 -2.293 1.620 -12.613 1.00 0.00 H +ATOM 674 HB2 LEU A 42 -0.519 2.344 -11.140 1.00 0.00 H +ATOM 675 HB3 LEU A 42 0.578 2.526 -12.496 1.00 0.00 H +ATOM 676 HG LEU A 42 -0.823 4.357 -13.377 1.00 0.00 H +ATOM 677 HD11 LEU A 42 -2.500 5.339 -11.738 1.00 0.00 H +ATOM 678 HD12 LEU A 42 -2.449 3.779 -10.918 1.00 0.00 H +ATOM 679 HD13 LEU A 42 -2.987 3.877 -12.594 1.00 0.00 H +ATOM 680 HD21 LEU A 42 0.377 5.810 -12.191 1.00 0.00 H +ATOM 681 HD22 LEU A 42 0.944 4.426 -11.257 1.00 0.00 H +ATOM 682 HD23 LEU A 42 -0.431 5.371 -10.686 1.00 0.00 H +ATOM 683 N LYS A 43 -2.482 2.562 -14.845 1.00 0.00 N +ATOM 684 CA LYS A 43 -2.723 3.057 -16.185 1.00 0.00 C +ATOM 685 C LYS A 43 -3.224 4.488 -16.080 1.00 0.00 C +ATOM 686 O LYS A 43 -4.097 4.794 -15.276 1.00 0.00 O +ATOM 687 CB LYS A 43 -3.751 2.196 -16.920 1.00 0.00 C +ATOM 688 CG LYS A 43 -3.167 1.343 -18.032 1.00 0.00 C +ATOM 689 CD LYS A 43 -2.313 0.210 -17.489 1.00 0.00 C +ATOM 690 CE LYS A 43 -1.862 -0.718 -18.604 1.00 0.00 C +ATOM 691 NZ LYS A 43 -1.015 -1.832 -18.094 1.00 0.00 N +ATOM 692 H LYS A 43 -3.204 2.645 -14.187 1.00 0.00 H +ATOM 693 HA LYS A 43 -1.790 3.063 -16.725 1.00 0.00 H +ATOM 694 HB2 LYS A 43 -4.231 1.542 -16.209 1.00 0.00 H +ATOM 695 HB3 LYS A 43 -4.495 2.848 -17.354 1.00 0.00 H +ATOM 696 HG2 LYS A 43 -3.976 0.925 -18.611 1.00 0.00 H +ATOM 697 HG3 LYS A 43 -2.558 1.971 -18.666 1.00 0.00 H +ATOM 698 HD2 LYS A 43 -1.442 0.628 -17.004 1.00 0.00 H +ATOM 699 HD3 LYS A 43 -2.891 -0.354 -16.773 1.00 0.00 H +ATOM 700 HE2 LYS A 43 -2.737 -1.134 -19.082 1.00 0.00 H +ATOM 701 HE3 LYS A 43 -1.296 -0.146 -19.324 1.00 0.00 H +ATOM 702 HZ1 LYS A 43 -0.494 -2.272 -18.879 1.00 0.00 H +ATOM 703 HZ2 LYS A 43 -1.610 -2.554 -17.640 1.00 0.00 H +ATOM 704 HZ3 LYS A 43 -0.333 -1.473 -17.397 1.00 0.00 H +ATOM 705 N VAL A 44 -2.655 5.359 -16.883 1.00 0.00 N +ATOM 706 CA VAL A 44 -3.016 6.769 -16.877 1.00 0.00 C +ATOM 707 C VAL A 44 -3.539 7.193 -18.235 1.00 0.00 C +ATOM 708 O VAL A 44 -2.915 6.949 -19.268 1.00 0.00 O +ATOM 709 CB VAL A 44 -1.805 7.627 -16.465 1.00 0.00 C +ATOM 710 CG1 VAL A 44 -2.126 9.114 -16.538 1.00 0.00 C +ATOM 711 CG2 VAL A 44 -1.338 7.249 -15.067 1.00 0.00 C +ATOM 712 H VAL A 44 -1.969 5.050 -17.512 1.00 0.00 H +ATOM 713 HA VAL A 44 -3.816 6.936 -16.167 1.00 0.00 H +ATOM 714 HB VAL A 44 -1.003 7.414 -17.150 1.00 0.00 H +ATOM 715 HG11 VAL A 44 -2.469 9.361 -17.531 1.00 0.00 H +ATOM 716 HG12 VAL A 44 -1.237 9.686 -16.310 1.00 0.00 H +ATOM 717 HG13 VAL A 44 -2.899 9.351 -15.820 1.00 0.00 H +ATOM 718 HG21 VAL A 44 -1.450 6.183 -14.926 1.00 0.00 H +ATOM 719 HG22 VAL A 44 -1.935 7.771 -14.335 1.00 0.00 H +ATOM 720 HG23 VAL A 44 -0.301 7.521 -14.947 1.00 0.00 H +ATOM 721 N ILE A 45 -4.704 7.830 -18.215 1.00 0.00 N +ATOM 722 CA ILE A 45 -5.370 8.274 -19.420 1.00 0.00 C +ATOM 723 C ILE A 45 -5.359 9.799 -19.488 1.00 0.00 C +ATOM 724 O ILE A 45 -5.964 10.466 -18.643 1.00 0.00 O +ATOM 725 CB ILE A 45 -6.835 7.779 -19.400 1.00 0.00 C +ATOM 726 CG1 ILE A 45 -6.896 6.274 -19.099 1.00 0.00 C +ATOM 727 CG2 ILE A 45 -7.560 8.097 -20.706 1.00 0.00 C +ATOM 728 CD1 ILE A 45 -6.170 5.402 -20.099 1.00 0.00 C +ATOM 729 H ILE A 45 -5.135 8.034 -17.351 1.00 0.00 H +ATOM 730 HA ILE A 45 -4.866 7.855 -20.275 1.00 0.00 H +ATOM 731 HB ILE A 45 -7.336 8.305 -18.602 1.00 0.00 H +ATOM 732 HG12 ILE A 45 -6.452 6.095 -18.134 1.00 0.00 H +ATOM 733 HG13 ILE A 45 -7.929 5.961 -19.075 1.00 0.00 H +ATOM 734 HG21 ILE A 45 -8.614 7.858 -20.602 1.00 0.00 H +ATOM 735 HG22 ILE A 45 -7.137 7.509 -21.506 1.00 0.00 H +ATOM 736 HG23 ILE A 45 -7.451 9.147 -20.932 1.00 0.00 H +ATOM 737 HD11 ILE A 45 -5.150 5.741 -20.198 1.00 0.00 H +ATOM 738 HD12 ILE A 45 -6.666 5.460 -21.056 1.00 0.00 H +ATOM 739 HD13 ILE A 45 -6.176 4.379 -19.750 1.00 0.00 H +ATOM 740 N ASP A 46 -4.664 10.356 -20.475 1.00 0.00 N +ATOM 741 CA ASP A 46 -4.612 11.805 -20.636 1.00 0.00 C +ATOM 742 C ASP A 46 -5.815 12.253 -21.460 1.00 0.00 C +ATOM 743 O ASP A 46 -5.815 12.129 -22.686 1.00 0.00 O +ATOM 744 CB ASP A 46 -3.306 12.217 -21.328 1.00 0.00 C +ATOM 745 CG ASP A 46 -3.083 13.722 -21.334 1.00 0.00 C +ATOM 746 OD1 ASP A 46 -4.022 14.477 -20.994 1.00 0.00 O +ATOM 747 OD2 ASP A 46 -1.961 14.148 -21.679 1.00 0.00 O +ATOM 748 H ASP A 46 -4.154 9.790 -21.092 1.00 0.00 H +ATOM 749 HA ASP A 46 -4.646 12.257 -19.655 1.00 0.00 H +ATOM 750 HB2 ASP A 46 -2.476 11.756 -20.816 1.00 0.00 H +ATOM 751 HB3 ASP A 46 -3.328 11.872 -22.352 1.00 0.00 H +ATOM 752 N VAL A 47 -6.824 12.781 -20.782 1.00 0.00 N +ATOM 753 CA VAL A 47 -8.056 13.207 -21.447 1.00 0.00 C +ATOM 754 C VAL A 47 -7.849 14.368 -22.432 1.00 0.00 C +ATOM 755 O VAL A 47 -8.531 14.438 -23.447 1.00 0.00 O +ATOM 756 CB VAL A 47 -9.147 13.577 -20.416 1.00 0.00 C +ATOM 757 CG1 VAL A 47 -9.434 12.394 -19.498 1.00 0.00 C +ATOM 758 CG2 VAL A 47 -8.750 14.800 -19.602 1.00 0.00 C +ATOM 759 H VAL A 47 -6.747 12.873 -19.805 1.00 0.00 H +ATOM 760 HA VAL A 47 -8.418 12.358 -22.008 1.00 0.00 H +ATOM 761 HB VAL A 47 -10.054 13.811 -20.955 1.00 0.00 H +ATOM 762 HG11 VAL A 47 -8.681 11.631 -19.645 1.00 0.00 H +ATOM 763 HG12 VAL A 47 -10.408 11.985 -19.727 1.00 0.00 H +ATOM 764 HG13 VAL A 47 -9.415 12.722 -18.470 1.00 0.00 H +ATOM 765 HG21 VAL A 47 -9.577 15.100 -18.975 1.00 0.00 H +ATOM 766 HG22 VAL A 47 -8.494 15.610 -20.270 1.00 0.00 H +ATOM 767 HG23 VAL A 47 -7.897 14.560 -18.984 1.00 0.00 H +ATOM 768 N LEU A 48 -6.936 15.290 -22.128 1.00 0.00 N +ATOM 769 CA LEU A 48 -6.675 16.420 -23.025 1.00 0.00 C +ATOM 770 C LEU A 48 -5.948 15.980 -24.295 1.00 0.00 C +ATOM 771 O LEU A 48 -6.230 16.475 -25.384 1.00 0.00 O +ATOM 772 CB LEU A 48 -5.880 17.524 -22.323 1.00 0.00 C +ATOM 773 CG LEU A 48 -6.651 18.296 -21.248 1.00 0.00 C +ATOM 774 CD1 LEU A 48 -5.728 19.261 -20.522 1.00 0.00 C +ATOM 775 CD2 LEU A 48 -7.825 19.043 -21.863 1.00 0.00 C +ATOM 776 H LEU A 48 -6.430 15.207 -21.300 1.00 0.00 H +ATOM 777 HA LEU A 48 -7.635 16.822 -23.315 1.00 0.00 H +ATOM 778 HB2 LEU A 48 -5.012 17.076 -21.864 1.00 0.00 H +ATOM 779 HB3 LEU A 48 -5.547 18.228 -23.071 1.00 0.00 H +ATOM 780 HG LEU A 48 -7.041 17.597 -20.523 1.00 0.00 H +ATOM 781 HD11 LEU A 48 -4.955 18.707 -20.012 1.00 0.00 H +ATOM 782 HD12 LEU A 48 -6.297 19.830 -19.800 1.00 0.00 H +ATOM 783 HD13 LEU A 48 -5.276 19.935 -21.236 1.00 0.00 H +ATOM 784 HD21 LEU A 48 -8.706 18.419 -21.830 1.00 0.00 H +ATOM 785 HD22 LEU A 48 -7.598 19.290 -22.891 1.00 0.00 H +ATOM 786 HD23 LEU A 48 -8.007 19.950 -21.307 1.00 0.00 H +ATOM 787 N LYS A 49 -5.002 15.054 -24.143 1.00 0.00 N +ATOM 788 CA LYS A 49 -4.233 14.548 -25.279 1.00 0.00 C +ATOM 789 C LYS A 49 -5.103 13.674 -26.173 1.00 0.00 C +ATOM 790 O LYS A 49 -5.029 13.749 -27.400 1.00 0.00 O +ATOM 791 CB LYS A 49 -3.019 13.761 -24.793 1.00 0.00 C +ATOM 792 CG LYS A 49 -2.124 13.262 -25.915 1.00 0.00 C +ATOM 793 CD LYS A 49 -0.917 12.532 -25.366 1.00 0.00 C +ATOM 794 CE LYS A 49 -0.017 12.026 -26.481 1.00 0.00 C +ATOM 795 NZ LYS A 49 1.180 11.314 -25.955 1.00 0.00 N +ATOM 796 H LYS A 49 -4.822 14.701 -23.248 1.00 0.00 H +ATOM 797 HA LYS A 49 -3.889 15.396 -25.851 1.00 0.00 H +ATOM 798 HB2 LYS A 49 -2.428 14.392 -24.144 1.00 0.00 H +ATOM 799 HB3 LYS A 49 -3.365 12.905 -24.231 1.00 0.00 H +ATOM 800 HG2 LYS A 49 -2.689 12.588 -26.542 1.00 0.00 H +ATOM 801 HG3 LYS A 49 -1.789 14.108 -26.498 1.00 0.00 H +ATOM 802 HD2 LYS A 49 -0.356 13.210 -24.741 1.00 0.00 H +ATOM 803 HD3 LYS A 49 -1.255 11.691 -24.777 1.00 0.00 H +ATOM 804 HE2 LYS A 49 -0.583 11.348 -27.102 1.00 0.00 H +ATOM 805 HE3 LYS A 49 0.308 12.869 -27.073 1.00 0.00 H +ATOM 806 HZ1 LYS A 49 1.648 11.893 -25.229 1.00 0.00 H +ATOM 807 HZ2 LYS A 49 1.854 11.130 -26.725 1.00 0.00 H +ATOM 808 HZ3 LYS A 49 0.899 10.406 -25.532 1.00 0.00 H +ATOM 809 N ASN A 50 -5.936 12.849 -25.547 1.00 0.00 N +ATOM 810 CA ASN A 50 -6.832 11.965 -26.282 1.00 0.00 C +ATOM 811 C ASN A 50 -8.261 12.114 -25.783 1.00 0.00 C +ATOM 812 O ASN A 50 -8.783 11.236 -25.091 1.00 0.00 O +ATOM 813 CB ASN A 50 -6.394 10.505 -26.143 1.00 0.00 C +ATOM 814 CG ASN A 50 -5.002 10.247 -26.685 1.00 0.00 C +ATOM 815 OD1 ASN A 50 -4.100 9.855 -25.946 1.00 0.00 O +ATOM 816 ND2 ASN A 50 -4.819 10.461 -27.981 1.00 0.00 N +ATOM 817 H ASN A 50 -5.947 12.833 -24.563 1.00 0.00 H +ATOM 818 HA ASN A 50 -6.800 12.251 -27.325 1.00 0.00 H +ATOM 819 HB2 ASN A 50 -6.409 10.237 -25.098 1.00 0.00 H +ATOM 820 HB3 ASN A 50 -7.094 9.880 -26.677 1.00 0.00 H +ATOM 821 HD21 ASN A 50 -5.580 10.771 -28.513 1.00 0.00 H +ATOM 822 HD22 ASN A 50 -3.927 10.302 -28.354 1.00 0.00 H +ATOM 823 N PRO A 51 -8.915 13.234 -26.133 1.00 0.00 N +ATOM 824 CA PRO A 51 -10.297 13.505 -25.726 1.00 0.00 C +ATOM 825 C PRO A 51 -11.281 12.468 -26.257 1.00 0.00 C +ATOM 826 O PRO A 51 -12.365 12.292 -25.700 1.00 0.00 O +ATOM 827 CB PRO A 51 -10.586 14.893 -26.309 1.00 0.00 C +ATOM 828 CG PRO A 51 -9.556 15.096 -27.366 1.00 0.00 C +ATOM 829 CD PRO A 51 -8.347 14.339 -26.921 1.00 0.00 C +ATOM 830 HA PRO A 51 -10.375 13.542 -24.650 1.00 0.00 H +ATOM 831 HB2 PRO A 51 -11.585 14.909 -26.721 1.00 0.00 H +ATOM 832 HB3 PRO A 51 -10.503 15.636 -25.531 1.00 0.00 H +ATOM 833 HG2 PRO A 51 -9.906 14.707 -28.307 1.00 0.00 H +ATOM 834 HG3 PRO A 51 -9.321 16.145 -27.451 1.00 0.00 H +ATOM 835 HD2 PRO A 51 -7.800 13.965 -27.775 1.00 0.00 H +ATOM 836 HD3 PRO A 51 -7.713 14.964 -26.308 1.00 0.00 H +ATOM 837 N GLN A 52 -10.903 11.789 -27.338 1.00 0.00 N +ATOM 838 CA GLN A 52 -11.739 10.744 -27.918 1.00 0.00 C +ATOM 839 C GLN A 52 -11.900 9.618 -26.917 1.00 0.00 C +ATOM 840 O GLN A 52 -12.991 9.086 -26.739 1.00 0.00 O +ATOM 841 CB GLN A 52 -11.109 10.201 -29.204 1.00 0.00 C +ATOM 842 CG GLN A 52 -11.079 11.204 -30.349 1.00 0.00 C +ATOM 843 CD GLN A 52 -9.772 11.975 -30.416 1.00 0.00 C +ATOM 844 OE1 GLN A 52 -9.050 12.088 -29.424 1.00 0.00 O +ATOM 845 NE2 GLN A 52 -9.460 12.512 -31.588 1.00 0.00 N +ATOM 846 H GLN A 52 -10.040 12.000 -27.758 1.00 0.00 H +ATOM 847 HA GLN A 52 -12.713 11.156 -28.136 1.00 0.00 H +ATOM 848 HB2 GLN A 52 -10.094 9.898 -28.993 1.00 0.00 H +ATOM 849 HB3 GLN A 52 -11.671 9.336 -29.527 1.00 0.00 H +ATOM 850 HG2 GLN A 52 -11.213 10.673 -31.279 1.00 0.00 H +ATOM 851 HG3 GLN A 52 -11.888 11.907 -30.217 1.00 0.00 H +ATOM 852 HE21 GLN A 52 -10.080 12.385 -32.336 1.00 0.00 H +ATOM 853 HE22 GLN A 52 -8.622 13.014 -31.657 1.00 0.00 H +ATOM 854 N LEU A 53 -10.804 9.285 -26.241 1.00 0.00 N +ATOM 855 CA LEU A 53 -10.821 8.227 -25.245 1.00 0.00 C +ATOM 856 C LEU A 53 -11.595 8.688 -24.019 1.00 0.00 C +ATOM 857 O LEU A 53 -12.303 7.903 -23.384 1.00 0.00 O +ATOM 858 CB LEU A 53 -9.401 7.802 -24.875 1.00 0.00 C +ATOM 859 CG LEU A 53 -8.627 7.115 -26.001 1.00 0.00 C +ATOM 860 CD1 LEU A 53 -7.182 6.874 -25.593 1.00 0.00 C +ATOM 861 CD2 LEU A 53 -9.299 5.808 -26.394 1.00 0.00 C +ATOM 862 H LEU A 53 -9.980 9.795 -26.392 1.00 0.00 H +ATOM 863 HA LEU A 53 -11.341 7.393 -25.691 1.00 0.00 H +ATOM 864 HB2 LEU A 53 -8.852 8.681 -24.567 1.00 0.00 H +ATOM 865 HB3 LEU A 53 -9.456 7.122 -24.037 1.00 0.00 H +ATOM 866 HG LEU A 53 -8.626 7.760 -26.868 1.00 0.00 H +ATOM 867 HD11 LEU A 53 -6.771 7.782 -25.175 1.00 0.00 H +ATOM 868 HD12 LEU A 53 -6.607 6.583 -26.459 1.00 0.00 H +ATOM 869 HD13 LEU A 53 -7.143 6.088 -24.852 1.00 0.00 H +ATOM 870 HD21 LEU A 53 -8.551 5.097 -26.707 1.00 0.00 H +ATOM 871 HD22 LEU A 53 -9.989 5.989 -27.206 1.00 0.00 H +ATOM 872 HD23 LEU A 53 -9.840 5.410 -25.545 1.00 0.00 H +ATOM 873 N ALA A 54 -11.447 9.975 -23.690 1.00 0.00 N +ATOM 874 CA ALA A 54 -12.142 10.564 -22.555 1.00 0.00 C +ATOM 875 C ALA A 54 -13.646 10.525 -22.782 1.00 0.00 C +ATOM 876 O ALA A 54 -14.411 10.222 -21.875 1.00 0.00 O +ATOM 877 CB ALA A 54 -11.686 11.999 -22.344 1.00 0.00 C +ATOM 878 H ALA A 54 -10.891 10.558 -24.249 1.00 0.00 H +ATOM 879 HA ALA A 54 -11.897 9.999 -21.670 1.00 0.00 H +ATOM 880 HB1 ALA A 54 -12.096 12.373 -21.417 1.00 0.00 H +ATOM 881 HB2 ALA A 54 -12.035 12.611 -23.163 1.00 0.00 H +ATOM 882 HB3 ALA A 54 -10.609 12.031 -22.300 1.00 0.00 H +ATOM 883 N GLU A 55 -14.053 10.844 -24.009 1.00 0.00 N +ATOM 884 CA GLU A 55 -15.460 10.829 -24.392 1.00 0.00 C +ATOM 885 C GLU A 55 -15.995 9.403 -24.377 1.00 0.00 C +ATOM 886 O GLU A 55 -17.132 9.163 -23.976 1.00 0.00 O +ATOM 887 CB GLU A 55 -15.660 11.454 -25.775 1.00 0.00 C +ATOM 888 CG GLU A 55 -17.122 11.542 -26.196 1.00 0.00 C +ATOM 889 CD GLU A 55 -17.307 12.199 -27.551 1.00 0.00 C +ATOM 890 OE1 GLU A 55 -16.293 12.584 -28.170 1.00 0.00 O +ATOM 891 OE2 GLU A 55 -18.468 12.330 -27.991 1.00 0.00 O +ATOM 892 H GLU A 55 -13.377 11.094 -24.681 1.00 0.00 H +ATOM 893 HA GLU A 55 -16.016 11.399 -23.663 1.00 0.00 H +ATOM 894 HB2 GLU A 55 -15.248 12.452 -25.770 1.00 0.00 H +ATOM 895 HB3 GLU A 55 -15.133 10.860 -26.507 1.00 0.00 H +ATOM 896 HG2 GLU A 55 -17.531 10.542 -26.239 1.00 0.00 H +ATOM 897 HG3 GLU A 55 -17.663 12.114 -25.457 1.00 0.00 H +ATOM 898 N GLU A 56 -15.164 8.462 -24.825 1.00 0.00 N +ATOM 899 CA GLU A 56 -15.547 7.058 -24.864 1.00 0.00 C +ATOM 900 C GLU A 56 -15.861 6.552 -23.456 1.00 0.00 C +ATOM 901 O GLU A 56 -16.811 5.797 -23.260 1.00 0.00 O +ATOM 902 CB GLU A 56 -14.429 6.218 -25.492 1.00 0.00 C +ATOM 903 CG GLU A 56 -14.224 6.480 -26.981 1.00 0.00 C +ATOM 904 CD GLU A 56 -15.463 6.192 -27.808 1.00 0.00 C +ATOM 905 OE1 GLU A 56 -16.044 5.100 -27.646 1.00 0.00 O +ATOM 906 OE2 GLU A 56 -15.850 7.061 -28.617 1.00 0.00 O +ATOM 907 H GLU A 56 -14.272 8.725 -25.142 1.00 0.00 H +ATOM 908 HA GLU A 56 -16.440 6.973 -25.466 1.00 0.00 H +ATOM 909 HB2 GLU A 56 -13.503 6.434 -24.980 1.00 0.00 H +ATOM 910 HB3 GLU A 56 -14.666 5.172 -25.361 1.00 0.00 H +ATOM 911 HG2 GLU A 56 -13.952 7.524 -27.120 1.00 0.00 H +ATOM 912 HG3 GLU A 56 -13.418 5.854 -27.335 1.00 0.00 H +ATOM 913 N ASP A 57 -15.062 6.973 -22.473 1.00 0.00 N +ATOM 914 CA ASP A 57 -15.301 6.573 -21.086 1.00 0.00 C +ATOM 915 C ASP A 57 -16.095 7.646 -20.336 1.00 0.00 C +ATOM 916 O ASP A 57 -16.254 7.568 -19.119 1.00 0.00 O +ATOM 917 CB ASP A 57 -13.990 6.243 -20.353 1.00 0.00 C +ATOM 918 CG ASP A 57 -13.362 4.942 -20.810 1.00 0.00 C +ATOM 919 OD1 ASP A 57 -14.045 4.159 -21.502 1.00 0.00 O +ATOM 920 OD2 ASP A 57 -12.183 4.706 -20.470 1.00 0.00 O +ATOM 921 H ASP A 57 -14.280 7.528 -22.690 1.00 0.00 H +ATOM 922 HA ASP A 57 -15.936 5.700 -21.125 1.00 0.00 H +ATOM 923 HB2 ASP A 57 -13.275 7.039 -20.526 1.00 0.00 H +ATOM 924 HB3 ASP A 57 -14.188 6.172 -19.293 1.00 0.00 H +ATOM 925 N LYS A 58 -16.589 8.636 -21.090 1.00 0.00 N +ATOM 926 CA LYS A 58 -17.402 9.736 -20.549 1.00 0.00 C +ATOM 927 C LYS A 58 -16.755 10.417 -19.343 1.00 0.00 C +ATOM 928 O LYS A 58 -17.382 10.580 -18.295 1.00 0.00 O +ATOM 929 CB LYS A 58 -18.805 9.238 -20.201 1.00 0.00 C +ATOM 930 CG LYS A 58 -19.601 8.784 -21.416 1.00 0.00 C +ATOM 931 CD LYS A 58 -20.993 8.311 -21.030 1.00 0.00 C +ATOM 932 CE LYS A 58 -21.797 7.888 -22.249 1.00 0.00 C +ATOM 933 NZ LYS A 58 -21.177 6.729 -22.950 1.00 0.00 N +ATOM 934 H LYS A 58 -16.399 8.629 -22.053 1.00 0.00 H +ATOM 935 HA LYS A 58 -17.493 10.473 -21.335 1.00 0.00 H +ATOM 936 HB2 LYS A 58 -18.720 8.406 -19.518 1.00 0.00 H +ATOM 937 HB3 LYS A 58 -19.349 10.036 -19.717 1.00 0.00 H +ATOM 938 HG2 LYS A 58 -19.689 9.610 -22.109 1.00 0.00 H +ATOM 939 HG3 LYS A 58 -19.073 7.970 -21.894 1.00 0.00 H +ATOM 940 HD2 LYS A 58 -20.905 7.469 -20.359 1.00 0.00 H +ATOM 941 HD3 LYS A 58 -21.512 9.117 -20.530 1.00 0.00 H +ATOM 942 HE2 LYS A 58 -22.791 7.614 -21.930 1.00 0.00 H +ATOM 943 HE3 LYS A 58 -21.855 8.722 -22.932 1.00 0.00 H +ATOM 944 HZ1 LYS A 58 -20.293 7.023 -23.413 1.00 0.00 H +ATOM 945 HZ2 LYS A 58 -21.827 6.360 -23.672 1.00 0.00 H +ATOM 946 HZ3 LYS A 58 -20.966 5.971 -22.269 1.00 0.00 H +ATOM 947 N ILE A 59 -15.504 10.820 -19.504 1.00 0.00 N +ATOM 948 CA ILE A 59 -14.774 11.486 -18.436 1.00 0.00 C +ATOM 949 C ILE A 59 -15.009 12.994 -18.486 1.00 0.00 C +ATOM 950 O ILE A 59 -14.510 13.684 -19.375 1.00 0.00 O +ATOM 951 CB ILE A 59 -13.261 11.194 -18.542 1.00 0.00 C +ATOM 952 CG1 ILE A 59 -13.013 9.684 -18.559 1.00 0.00 C +ATOM 953 CG2 ILE A 59 -12.499 11.848 -17.397 1.00 0.00 C +ATOM 954 CD1 ILE A 59 -13.509 8.973 -17.320 1.00 0.00 C +ATOM 955 H ILE A 59 -15.056 10.663 -20.368 1.00 0.00 H +ATOM 956 HA ILE A 59 -15.132 11.100 -17.491 1.00 0.00 H +ATOM 957 HB ILE A 59 -12.904 11.618 -19.469 1.00 0.00 H +ATOM 958 HG12 ILE A 59 -13.518 9.253 -19.411 1.00 0.00 H +ATOM 959 HG13 ILE A 59 -11.951 9.501 -18.646 1.00 0.00 H +ATOM 960 HG21 ILE A 59 -12.500 12.920 -17.528 1.00 0.00 H +ATOM 961 HG22 ILE A 59 -11.481 11.487 -17.391 1.00 0.00 H +ATOM 962 HG23 ILE A 59 -12.974 11.600 -16.460 1.00 0.00 H +ATOM 963 HD11 ILE A 59 -12.869 8.130 -17.109 1.00 0.00 H +ATOM 964 HD12 ILE A 59 -14.519 8.627 -17.483 1.00 0.00 H +ATOM 965 HD13 ILE A 59 -13.493 9.656 -16.483 1.00 0.00 H +ATOM 966 N LEU A 60 -15.780 13.498 -17.526 1.00 0.00 N +ATOM 967 CA LEU A 60 -16.090 14.923 -17.459 1.00 0.00 C +ATOM 968 C LEU A 60 -15.361 15.607 -16.304 1.00 0.00 C +ATOM 969 O LEU A 60 -15.540 16.803 -16.071 1.00 0.00 O +ATOM 970 CB LEU A 60 -17.602 15.131 -17.314 1.00 0.00 C +ATOM 971 CG LEU A 60 -18.454 14.557 -18.449 1.00 0.00 C +ATOM 972 CD1 LEU A 60 -19.933 14.751 -18.157 1.00 0.00 C +ATOM 973 CD2 LEU A 60 -18.086 15.206 -19.776 1.00 0.00 C +ATOM 974 H LEU A 60 -16.159 12.895 -16.851 1.00 0.00 H +ATOM 975 HA LEU A 60 -15.766 15.373 -18.385 1.00 0.00 H +ATOM 976 HB2 LEU A 60 -17.918 14.672 -16.387 1.00 0.00 H +ATOM 977 HB3 LEU A 60 -17.792 16.193 -17.251 1.00 0.00 H +ATOM 978 HG LEU A 60 -18.265 13.496 -18.532 1.00 0.00 H +ATOM 979 HD11 LEU A 60 -20.517 14.352 -18.973 1.00 0.00 H +ATOM 980 HD12 LEU A 60 -20.144 15.804 -18.045 1.00 0.00 H +ATOM 981 HD13 LEU A 60 -20.191 14.233 -17.244 1.00 0.00 H +ATOM 982 HD21 LEU A 60 -17.943 16.267 -19.632 1.00 0.00 H +ATOM 983 HD22 LEU A 60 -18.879 15.043 -20.491 1.00 0.00 H +ATOM 984 HD23 LEU A 60 -17.170 14.768 -20.150 1.00 0.00 H +ATOM 985 N ALA A 61 -14.539 14.852 -15.582 1.00 0.00 N +ATOM 986 CA ALA A 61 -13.802 15.399 -14.449 1.00 0.00 C +ATOM 987 C ALA A 61 -12.401 14.804 -14.359 1.00 0.00 C +ATOM 988 O ALA A 61 -12.178 13.658 -14.748 1.00 0.00 O +ATOM 989 CB ALA A 61 -14.561 15.150 -13.154 1.00 0.00 C +ATOM 990 H ALA A 61 -14.417 13.909 -15.822 1.00 0.00 H +ATOM 991 HA ALA A 61 -13.720 16.467 -14.592 1.00 0.00 H +ATOM 992 HB1 ALA A 61 -15.623 15.206 -13.342 1.00 0.00 H +ATOM 993 HB2 ALA A 61 -14.287 15.899 -12.424 1.00 0.00 H +ATOM 994 HB3 ALA A 61 -14.313 14.170 -12.773 1.00 0.00 H +ATOM 995 N THR A 62 -11.464 15.594 -13.846 1.00 0.00 N +ATOM 996 CA THR A 62 -10.081 15.167 -13.688 1.00 0.00 C +ATOM 997 C THR A 62 -9.448 15.834 -12.470 1.00 0.00 C +ATOM 998 O THR A 62 -9.683 17.015 -12.212 1.00 0.00 O +ATOM 999 CB THR A 62 -9.226 15.523 -14.925 1.00 0.00 C +ATOM 1000 OG1 THR A 62 -9.434 16.895 -15.282 1.00 0.00 O +ATOM 1001 CG2 THR A 62 -9.543 14.629 -16.113 1.00 0.00 C +ATOM 1002 H THR A 62 -11.709 16.487 -13.548 1.00 0.00 H +ATOM 1003 HA THR A 62 -10.071 14.095 -13.558 1.00 0.00 H +ATOM 1004 HB THR A 62 -8.186 15.390 -14.664 1.00 0.00 H +ATOM 1005 HG1 THR A 62 -9.547 17.421 -14.484 1.00 0.00 H +ATOM 1006 HG21 THR A 62 -9.493 13.594 -15.810 1.00 0.00 H +ATOM 1007 HG22 THR A 62 -8.821 14.810 -16.900 1.00 0.00 H +ATOM 1008 HG23 THR A 62 -10.535 14.852 -16.477 1.00 0.00 H +ATOM 1009 N PRO A 63 -8.635 15.087 -11.706 1.00 0.00 N +ATOM 1010 CA PRO A 63 -8.374 13.674 -11.971 1.00 0.00 C +ATOM 1011 C PRO A 63 -9.495 12.762 -11.466 1.00 0.00 C +ATOM 1012 O PRO A 63 -10.195 13.085 -10.508 1.00 0.00 O +ATOM 1013 CB PRO A 63 -7.080 13.416 -11.207 1.00 0.00 C +ATOM 1014 CG PRO A 63 -7.114 14.368 -10.063 1.00 0.00 C +ATOM 1015 CD PRO A 63 -7.883 15.577 -10.533 1.00 0.00 C +ATOM 1016 HA PRO A 63 -8.205 13.487 -13.023 1.00 0.00 H +ATOM 1017 HB2 PRO A 63 -7.058 12.391 -10.866 1.00 0.00 H +ATOM 1018 HB3 PRO A 63 -6.234 13.605 -11.850 1.00 0.00 H +ATOM 1019 HG2 PRO A 63 -7.611 13.911 -9.220 1.00 0.00 H +ATOM 1020 HG3 PRO A 63 -6.105 14.646 -9.799 1.00 0.00 H +ATOM 1021 HD2 PRO A 63 -8.557 15.917 -9.760 1.00 0.00 H +ATOM 1022 HD3 PRO A 63 -7.205 16.368 -10.816 1.00 0.00 H +ATOM 1023 N THR A 64 -9.651 11.622 -12.123 1.00 0.00 N +ATOM 1024 CA THR A 64 -10.658 10.639 -11.734 1.00 0.00 C +ATOM 1025 C THR A 64 -9.988 9.289 -11.512 1.00 0.00 C +ATOM 1026 O THR A 64 -9.226 8.815 -12.359 1.00 0.00 O +ATOM 1027 CB THR A 64 -11.786 10.492 -12.780 1.00 0.00 C +ATOM 1028 OG1 THR A 64 -12.453 11.746 -12.956 1.00 0.00 O +ATOM 1029 CG2 THR A 64 -12.808 9.445 -12.350 1.00 0.00 C +ATOM 1030 H THR A 64 -9.042 11.416 -12.861 1.00 0.00 H +ATOM 1031 HA THR A 64 -11.096 10.969 -10.801 1.00 0.00 H +ATOM 1032 HB THR A 64 -11.352 10.183 -13.716 1.00 0.00 H +ATOM 1033 HG1 THR A 64 -12.082 12.212 -13.716 1.00 0.00 H +ATOM 1034 HG21 THR A 64 -12.294 8.549 -12.031 1.00 0.00 H +ATOM 1035 HG22 THR A 64 -13.457 9.212 -13.182 1.00 0.00 H +ATOM 1036 HG23 THR A 64 -13.398 9.832 -11.532 1.00 0.00 H +ATOM 1037 N LEU A 65 -10.276 8.681 -10.373 1.00 0.00 N +ATOM 1038 CA LEU A 65 -9.700 7.394 -10.014 1.00 0.00 C +ATOM 1039 C LEU A 65 -10.699 6.275 -10.296 1.00 0.00 C +ATOM 1040 O LEU A 65 -11.796 6.277 -9.754 1.00 0.00 O +ATOM 1041 CB LEU A 65 -9.338 7.407 -8.524 1.00 0.00 C +ATOM 1042 CG LEU A 65 -8.503 6.226 -8.037 1.00 0.00 C +ATOM 1043 CD1 LEU A 65 -7.128 6.262 -8.679 1.00 0.00 C +ATOM 1044 CD2 LEU A 65 -8.382 6.241 -6.521 1.00 0.00 C +ATOM 1045 H LEU A 65 -10.917 9.099 -9.758 1.00 0.00 H +ATOM 1046 HA LEU A 65 -8.809 7.224 -10.597 1.00 0.00 H +ATOM 1047 HB2 LEU A 65 -8.791 8.315 -8.319 1.00 0.00 H +ATOM 1048 HB3 LEU A 65 -10.256 7.426 -7.957 1.00 0.00 H +ATOM 1049 HG LEU A 65 -8.986 5.303 -8.328 1.00 0.00 H +ATOM 1050 HD11 LEU A 65 -7.208 5.979 -9.717 1.00 0.00 H +ATOM 1051 HD12 LEU A 65 -6.474 5.572 -8.167 1.00 0.00 H +ATOM 1052 HD13 LEU A 65 -6.725 7.261 -8.608 1.00 0.00 H +ATOM 1053 HD21 LEU A 65 -9.332 5.981 -6.080 1.00 0.00 H +ATOM 1054 HD22 LEU A 65 -8.091 7.228 -6.193 1.00 0.00 H +ATOM 1055 HD23 LEU A 65 -7.634 5.526 -6.212 1.00 0.00 H +ATOM 1056 N ALA A 66 -10.332 5.330 -11.155 1.00 0.00 N +ATOM 1057 CA ALA A 66 -11.230 4.224 -11.474 1.00 0.00 C +ATOM 1058 C ALA A 66 -10.475 2.912 -11.653 1.00 0.00 C +ATOM 1059 O ALA A 66 -9.449 2.849 -12.329 1.00 0.00 O +ATOM 1060 CB ALA A 66 -12.040 4.520 -12.729 1.00 0.00 C +ATOM 1061 H ALA A 66 -9.448 5.374 -11.584 1.00 0.00 H +ATOM 1062 HA ALA A 66 -11.916 4.088 -10.646 1.00 0.00 H +ATOM 1063 HB1 ALA A 66 -11.657 3.924 -13.552 1.00 0.00 H +ATOM 1064 HB2 ALA A 66 -11.959 5.568 -12.974 1.00 0.00 H +ATOM 1065 HB3 ALA A 66 -13.073 4.265 -12.558 1.00 0.00 H +ATOM 1066 N LYS A 67 -11.007 1.864 -11.035 1.00 0.00 N +ATOM 1067 CA LYS A 67 -10.437 0.536 -11.147 1.00 0.00 C +ATOM 1068 C LYS A 67 -11.185 -0.173 -12.254 1.00 0.00 C +ATOM 1069 O LYS A 67 -12.319 -0.608 -12.065 1.00 0.00 O +ATOM 1070 CB LYS A 67 -10.585 -0.235 -9.825 1.00 0.00 C +ATOM 1071 CG LYS A 67 -10.024 -1.658 -9.861 1.00 0.00 C +ATOM 1072 CD LYS A 67 -9.936 -2.283 -8.471 1.00 0.00 C +ATOM 1073 CE LYS A 67 -11.187 -3.078 -8.114 1.00 0.00 C +ATOM 1074 NZ LYS A 67 -10.996 -3.894 -6.884 1.00 0.00 N +ATOM 1075 H LYS A 67 -11.818 1.996 -10.496 1.00 0.00 H +ATOM 1076 HA LYS A 67 -9.395 0.637 -11.409 1.00 0.00 H +ATOM 1077 HB2 LYS A 67 -10.076 0.310 -9.047 1.00 0.00 H +ATOM 1078 HB3 LYS A 67 -11.634 -0.290 -9.585 1.00 0.00 H +ATOM 1079 HG2 LYS A 67 -10.672 -2.271 -10.473 1.00 0.00 H +ATOM 1080 HG3 LYS A 67 -9.035 -1.637 -10.297 1.00 0.00 H +ATOM 1081 HD2 LYS A 67 -9.085 -2.945 -8.442 1.00 0.00 H +ATOM 1082 HD3 LYS A 67 -9.803 -1.495 -7.744 1.00 0.00 H +ATOM 1083 HE2 LYS A 67 -12.003 -2.395 -7.948 1.00 0.00 H +ATOM 1084 HE3 LYS A 67 -11.429 -3.736 -8.936 1.00 0.00 H +ATOM 1085 HZ1 LYS A 67 -11.609 -3.542 -6.120 1.00 0.00 H +ATOM 1086 HZ2 LYS A 67 -10.006 -3.843 -6.567 1.00 0.00 H +ATOM 1087 HZ3 LYS A 67 -11.234 -4.888 -7.073 1.00 0.00 H +ATOM 1088 N VAL A 68 -10.557 -0.284 -13.406 1.00 0.00 N +ATOM 1089 CA VAL A 68 -11.198 -0.901 -14.547 1.00 0.00 C +ATOM 1090 C VAL A 68 -11.208 -2.424 -14.433 1.00 0.00 C +ATOM 1091 O VAL A 68 -12.123 -3.085 -14.927 1.00 0.00 O +ATOM 1092 CB VAL A 68 -10.537 -0.432 -15.862 1.00 0.00 C +ATOM 1093 CG1 VAL A 68 -9.282 -1.229 -16.182 1.00 0.00 C +ATOM 1094 CG2 VAL A 68 -11.535 -0.473 -17.006 1.00 0.00 C +ATOM 1095 H VAL A 68 -9.640 0.054 -13.491 1.00 0.00 H +ATOM 1096 HA VAL A 68 -12.225 -0.562 -14.557 1.00 0.00 H +ATOM 1097 HB VAL A 68 -10.241 0.597 -15.723 1.00 0.00 H +ATOM 1098 HG11 VAL A 68 -8.416 -0.591 -16.081 1.00 0.00 H +ATOM 1099 HG12 VAL A 68 -9.339 -1.601 -17.194 1.00 0.00 H +ATOM 1100 HG13 VAL A 68 -9.198 -2.058 -15.496 1.00 0.00 H +ATOM 1101 HG21 VAL A 68 -12.189 0.386 -16.936 1.00 0.00 H +ATOM 1102 HG22 VAL A 68 -12.119 -1.379 -16.944 1.00 0.00 H +ATOM 1103 HG23 VAL A 68 -11.006 -0.447 -17.948 1.00 0.00 H +ATOM 1104 N LEU A 69 -10.196 -2.977 -13.770 1.00 0.00 N +ATOM 1105 CA LEU A 69 -10.111 -4.427 -13.602 1.00 0.00 C +ATOM 1106 C LEU A 69 -9.687 -4.787 -12.182 1.00 0.00 C +ATOM 1107 O LEU A 69 -8.806 -4.142 -11.616 1.00 0.00 O +ATOM 1108 CB LEU A 69 -9.117 -5.037 -14.603 1.00 0.00 C +ATOM 1109 CG LEU A 69 -9.492 -4.898 -16.084 1.00 0.00 C +ATOM 1110 CD1 LEU A 69 -8.333 -5.326 -16.970 1.00 0.00 C +ATOM 1111 CD2 LEU A 69 -10.730 -5.721 -16.405 1.00 0.00 C +ATOM 1112 H LEU A 69 -9.505 -2.395 -13.363 1.00 0.00 H +ATOM 1113 HA LEU A 69 -11.092 -4.838 -13.787 1.00 0.00 H +ATOM 1114 HB2 LEU A 69 -8.158 -4.565 -14.453 1.00 0.00 H +ATOM 1115 HB3 LEU A 69 -9.017 -6.088 -14.380 1.00 0.00 H +ATOM 1116 HG LEU A 69 -9.713 -3.862 -16.298 1.00 0.00 H +ATOM 1117 HD11 LEU A 69 -7.706 -4.473 -17.180 1.00 0.00 H +ATOM 1118 HD12 LEU A 69 -8.717 -5.725 -17.897 1.00 0.00 H +ATOM 1119 HD13 LEU A 69 -7.755 -6.084 -16.465 1.00 0.00 H +ATOM 1120 HD21 LEU A 69 -10.604 -6.723 -16.024 1.00 0.00 H +ATOM 1121 HD22 LEU A 69 -10.869 -5.758 -17.476 1.00 0.00 H +ATOM 1122 HD23 LEU A 69 -11.594 -5.265 -15.945 1.00 0.00 H +ATOM 1123 N PRO A 70 -10.290 -5.834 -11.587 1.00 0.00 N +ATOM 1124 CA PRO A 70 -11.349 -6.633 -12.224 1.00 0.00 C +ATOM 1125 C PRO A 70 -12.725 -5.954 -12.162 1.00 0.00 C +ATOM 1126 O PRO A 70 -12.996 -5.185 -11.241 1.00 0.00 O +ATOM 1127 CB PRO A 70 -11.348 -7.912 -11.387 1.00 0.00 C +ATOM 1128 CG PRO A 70 -10.947 -7.459 -10.027 1.00 0.00 C +ATOM 1129 CD PRO A 70 -9.966 -6.337 -10.235 1.00 0.00 C +ATOM 1130 HA PRO A 70 -11.107 -6.869 -13.248 1.00 0.00 H +ATOM 1131 HB2 PRO A 70 -12.338 -8.347 -11.386 1.00 0.00 H +ATOM 1132 HB3 PRO A 70 -10.639 -8.616 -11.793 1.00 0.00 H +ATOM 1133 HG2 PRO A 70 -11.814 -7.105 -9.486 1.00 0.00 H +ATOM 1134 HG3 PRO A 70 -10.477 -8.274 -9.491 1.00 0.00 H +ATOM 1135 HD2 PRO A 70 -10.113 -5.564 -9.494 1.00 0.00 H +ATOM 1136 HD3 PRO A 70 -8.953 -6.709 -10.196 1.00 0.00 H +ATOM 1137 N PRO A 71 -13.602 -6.222 -13.153 1.00 0.00 N +ATOM 1138 CA PRO A 71 -14.963 -5.662 -13.192 1.00 0.00 C +ATOM 1139 C PRO A 71 -15.799 -6.105 -11.987 1.00 0.00 C +ATOM 1140 O PRO A 71 -15.568 -7.184 -11.438 1.00 0.00 O +ATOM 1141 CB PRO A 71 -15.554 -6.235 -14.486 1.00 0.00 C +ATOM 1142 CG PRO A 71 -14.371 -6.601 -15.308 1.00 0.00 C +ATOM 1143 CD PRO A 71 -13.337 -7.067 -14.327 1.00 0.00 C +ATOM 1144 HA PRO A 71 -14.941 -4.588 -13.243 1.00 0.00 H +ATOM 1145 HB2 PRO A 71 -16.160 -7.099 -14.257 1.00 0.00 H +ATOM 1146 HB3 PRO A 71 -16.157 -5.483 -14.975 1.00 0.00 H +ATOM 1147 HG2 PRO A 71 -14.629 -7.397 -15.995 1.00 0.00 H +ATOM 1148 HG3 PRO A 71 -14.014 -5.736 -15.849 1.00 0.00 H +ATOM 1149 HD2 PRO A 71 -13.480 -8.109 -14.093 1.00 0.00 H +ATOM 1150 HD3 PRO A 71 -12.348 -6.892 -14.712 1.00 0.00 H +ATOM 1151 N PRO A 72 -16.796 -5.301 -11.559 1.00 0.00 N +ATOM 1152 CA PRO A 72 -17.155 -4.007 -12.171 1.00 0.00 C +ATOM 1153 C PRO A 72 -16.111 -2.913 -11.944 1.00 0.00 C +ATOM 1154 O PRO A 72 -15.280 -3.009 -11.043 1.00 0.00 O +ATOM 1155 CB PRO A 72 -18.470 -3.624 -11.471 1.00 0.00 C +ATOM 1156 CG PRO A 72 -18.928 -4.867 -10.786 1.00 0.00 C +ATOM 1157 CD PRO A 72 -17.676 -5.608 -10.426 1.00 0.00 C +ATOM 1158 HA PRO A 72 -17.333 -4.112 -13.230 1.00 0.00 H +ATOM 1159 HB2 PRO A 72 -18.283 -2.830 -10.761 1.00 0.00 H +ATOM 1160 HB3 PRO A 72 -19.188 -3.293 -12.206 1.00 0.00 H +ATOM 1161 HG2 PRO A 72 -19.488 -4.616 -9.897 1.00 0.00 H +ATOM 1162 HG3 PRO A 72 -19.533 -5.458 -11.458 1.00 0.00 H +ATOM 1163 HD2 PRO A 72 -17.265 -5.233 -9.499 1.00 0.00 H +ATOM 1164 HD3 PRO A 72 -17.865 -6.669 -10.359 1.00 0.00 H +ATOM 1165 N VAL A 73 -16.168 -1.876 -12.774 1.00 0.00 N +ATOM 1166 CA VAL A 73 -15.242 -0.754 -12.670 1.00 0.00 C +ATOM 1167 C VAL A 73 -15.566 0.085 -11.431 1.00 0.00 C +ATOM 1168 O VAL A 73 -16.702 0.531 -11.252 1.00 0.00 O +ATOM 1169 CB VAL A 73 -15.315 0.141 -13.930 1.00 0.00 C +ATOM 1170 CG1 VAL A 73 -14.380 1.339 -13.811 1.00 0.00 C +ATOM 1171 CG2 VAL A 73 -14.996 -0.669 -15.179 1.00 0.00 C +ATOM 1172 H VAL A 73 -16.853 -1.862 -13.473 1.00 0.00 H +ATOM 1173 HA VAL A 73 -14.238 -1.146 -12.582 1.00 0.00 H +ATOM 1174 HB VAL A 73 -16.324 0.514 -14.019 1.00 0.00 H +ATOM 1175 HG11 VAL A 73 -14.130 1.700 -14.798 1.00 0.00 H +ATOM 1176 HG12 VAL A 73 -13.478 1.042 -13.297 1.00 0.00 H +ATOM 1177 HG13 VAL A 73 -14.870 2.124 -13.254 1.00 0.00 H +ATOM 1178 HG21 VAL A 73 -15.913 -0.917 -15.692 1.00 0.00 H +ATOM 1179 HG22 VAL A 73 -14.484 -1.578 -14.898 1.00 0.00 H +ATOM 1180 HG23 VAL A 73 -14.363 -0.088 -15.834 1.00 0.00 H +ATOM 1181 N ARG A 74 -14.566 0.299 -10.581 1.00 0.00 N +ATOM 1182 CA ARG A 74 -14.757 1.079 -9.360 1.00 0.00 C +ATOM 1183 C ARG A 74 -14.312 2.510 -9.566 1.00 0.00 C +ATOM 1184 O ARG A 74 -13.127 2.773 -9.742 1.00 0.00 O +ATOM 1185 CB ARG A 74 -13.949 0.484 -8.201 1.00 0.00 C +ATOM 1186 CG ARG A 74 -14.201 -0.992 -7.949 1.00 0.00 C +ATOM 1187 CD ARG A 74 -15.649 -1.268 -7.564 1.00 0.00 C +ATOM 1188 NE ARG A 74 -15.866 -2.671 -7.222 1.00 0.00 N +ATOM 1189 CZ ARG A 74 -17.053 -3.180 -6.908 1.00 0.00 C +ATOM 1190 NH1 ARG A 74 -18.128 -2.402 -6.894 1.00 0.00 N +ATOM 1191 NH2 ARG A 74 -17.165 -4.468 -6.608 1.00 0.00 N +ATOM 1192 H ARG A 74 -13.679 -0.075 -10.780 1.00 0.00 H +ATOM 1193 HA ARG A 74 -15.803 1.072 -9.107 1.00 0.00 H +ATOM 1194 HB2 ARG A 74 -12.900 0.615 -8.411 1.00 0.00 H +ATOM 1195 HB3 ARG A 74 -14.191 1.027 -7.299 1.00 0.00 H +ATOM 1196 HG2 ARG A 74 -13.966 -1.543 -8.847 1.00 0.00 H +ATOM 1197 HG3 ARG A 74 -13.554 -1.320 -7.147 1.00 0.00 H +ATOM 1198 HD2 ARG A 74 -15.907 -0.656 -6.713 1.00 0.00 H +ATOM 1199 HD3 ARG A 74 -16.285 -1.009 -8.398 1.00 0.00 H +ATOM 1200 HE ARG A 74 -15.085 -3.263 -7.226 1.00 0.00 H +ATOM 1201 HH11 ARG A 74 -18.043 -1.431 -7.120 1.00 0.00 H +ATOM 1202 HH12 ARG A 74 -19.022 -2.784 -6.658 1.00 0.00 H +ATOM 1203 HH21 ARG A 74 -16.355 -5.055 -6.619 1.00 0.00 H +ATOM 1204 HH22 ARG A 74 -18.057 -4.852 -6.372 1.00 0.00 H +ATOM 1205 N ARG A 75 -15.247 3.441 -9.522 1.00 0.00 N +ATOM 1206 CA ARG A 75 -14.899 4.837 -9.688 1.00 0.00 C +ATOM 1207 C ARG A 75 -14.843 5.513 -8.328 1.00 0.00 C +ATOM 1208 O ARG A 75 -15.829 5.544 -7.590 1.00 0.00 O +ATOM 1209 CB ARG A 75 -15.888 5.554 -10.597 1.00 0.00 C +ATOM 1210 CG ARG A 75 -15.886 5.038 -12.026 1.00 0.00 C +ATOM 1211 CD ARG A 75 -16.747 5.901 -12.927 1.00 0.00 C +ATOM 1212 NE ARG A 75 -18.157 5.866 -12.543 1.00 0.00 N +ATOM 1213 CZ ARG A 75 -19.087 6.651 -13.078 1.00 0.00 C +ATOM 1214 NH1 ARG A 75 -18.760 7.524 -14.022 1.00 0.00 N +ATOM 1215 NH2 ARG A 75 -20.347 6.558 -12.671 1.00 0.00 N +ATOM 1216 H ARG A 75 -16.181 3.186 -9.376 1.00 0.00 H +ATOM 1217 HA ARG A 75 -13.919 4.881 -10.137 1.00 0.00 H +ATOM 1218 HB2 ARG A 75 -16.882 5.443 -10.193 1.00 0.00 H +ATOM 1219 HB3 ARG A 75 -15.628 6.602 -10.619 1.00 0.00 H +ATOM 1220 HG2 ARG A 75 -14.874 5.046 -12.398 1.00 0.00 H +ATOM 1221 HG3 ARG A 75 -16.268 4.027 -12.034 1.00 0.00 H +ATOM 1222 HD2 ARG A 75 -16.393 6.918 -12.868 1.00 0.00 H +ATOM 1223 HD3 ARG A 75 -16.650 5.546 -13.943 1.00 0.00 H +ATOM 1224 HE ARG A 75 -18.421 5.226 -11.849 1.00 0.00 H +ATOM 1225 HH11 ARG A 75 -17.811 7.593 -14.329 1.00 0.00 H +ATOM 1226 HH12 ARG A 75 -19.458 8.114 -14.424 1.00 0.00 H +ATOM 1227 HH21 ARG A 75 -20.597 5.899 -11.962 1.00 0.00 H +ATOM 1228 HH22 ARG A 75 -21.048 7.148 -13.073 1.00 0.00 H +ATOM 1229 N ILE A 76 -13.682 6.048 -8.008 1.00 0.00 N +ATOM 1230 CA ILE A 76 -13.466 6.711 -6.735 1.00 0.00 C +ATOM 1231 C ILE A 76 -13.303 8.217 -6.950 1.00 0.00 C +ATOM 1232 O ILE A 76 -12.377 8.659 -7.634 1.00 0.00 O +ATOM 1233 CB ILE A 76 -12.221 6.138 -6.029 1.00 0.00 C +ATOM 1234 CG1 ILE A 76 -12.361 4.617 -5.906 1.00 0.00 C +ATOM 1235 CG2 ILE A 76 -12.036 6.774 -4.654 1.00 0.00 C +ATOM 1236 CD1 ILE A 76 -11.174 3.945 -5.273 1.00 0.00 C +ATOM 1237 H ILE A 76 -12.940 6.004 -8.660 1.00 0.00 H +ATOM 1238 HA ILE A 76 -14.323 6.524 -6.107 1.00 0.00 H +ATOM 1239 HB ILE A 76 -11.355 6.367 -6.628 1.00 0.00 H +ATOM 1240 HG12 ILE A 76 -13.230 4.385 -5.309 1.00 0.00 H +ATOM 1241 HG13 ILE A 76 -12.486 4.196 -6.896 1.00 0.00 H +ATOM 1242 HG21 ILE A 76 -11.544 7.731 -4.763 1.00 0.00 H +ATOM 1243 HG22 ILE A 76 -11.433 6.128 -4.036 1.00 0.00 H +ATOM 1244 HG23 ILE A 76 -13.000 6.919 -4.190 1.00 0.00 H +ATOM 1245 HD11 ILE A 76 -11.430 2.926 -5.017 1.00 0.00 H +ATOM 1246 HD12 ILE A 76 -10.896 4.483 -4.381 1.00 0.00 H +ATOM 1247 HD13 ILE A 76 -10.350 3.945 -5.968 1.00 0.00 H +ATOM 1248 N ILE A 77 -14.207 9.001 -6.370 1.00 0.00 N +ATOM 1249 CA ILE A 77 -14.164 10.452 -6.518 1.00 0.00 C +ATOM 1250 C ILE A 77 -13.962 11.133 -5.168 1.00 0.00 C +ATOM 1251 O ILE A 77 -14.702 10.879 -4.216 1.00 0.00 O +ATOM 1252 CB ILE A 77 -15.452 10.991 -7.181 1.00 0.00 C +ATOM 1253 CG1 ILE A 77 -15.724 10.261 -8.500 1.00 0.00 C +ATOM 1254 CG2 ILE A 77 -15.348 12.492 -7.426 1.00 0.00 C +ATOM 1255 CD1 ILE A 77 -16.922 9.338 -8.445 1.00 0.00 C +ATOM 1256 H ILE A 77 -14.917 8.596 -5.829 1.00 0.00 H +ATOM 1257 HA ILE A 77 -13.333 10.692 -7.160 1.00 0.00 H +ATOM 1258 HB ILE A 77 -16.273 10.818 -6.506 1.00 0.00 H +ATOM 1259 HG12 ILE A 77 -15.903 10.988 -9.278 1.00 0.00 H +ATOM 1260 HG13 ILE A 77 -14.859 9.668 -8.759 1.00 0.00 H +ATOM 1261 HG21 ILE A 77 -14.872 12.963 -6.579 1.00 0.00 H +ATOM 1262 HG22 ILE A 77 -16.339 12.905 -7.558 1.00 0.00 H +ATOM 1263 HG23 ILE A 77 -14.762 12.672 -8.315 1.00 0.00 H +ATOM 1264 HD11 ILE A 77 -16.707 8.510 -7.785 1.00 0.00 H +ATOM 1265 HD12 ILE A 77 -17.132 8.962 -9.435 1.00 0.00 H +ATOM 1266 HD13 ILE A 77 -17.779 9.880 -8.075 1.00 0.00 H +ATOM 1267 N GLY A 78 -12.952 11.993 -5.091 1.00 0.00 N +ATOM 1268 CA GLY A 78 -12.660 12.698 -3.858 1.00 0.00 C +ATOM 1269 C GLY A 78 -11.329 13.413 -3.925 1.00 0.00 C +ATOM 1270 O GLY A 78 -10.787 13.615 -5.012 1.00 0.00 O +ATOM 1271 H GLY A 78 -12.393 12.150 -5.881 1.00 0.00 H +ATOM 1272 HA2 GLY A 78 -13.441 13.422 -3.675 1.00 0.00 H +ATOM 1273 HA3 GLY A 78 -12.639 11.989 -3.045 1.00 0.00 H +ATOM 1274 N ASP A 79 -10.796 13.795 -2.769 1.00 0.00 N +ATOM 1275 CA ASP A 79 -9.507 14.480 -2.722 1.00 0.00 C +ATOM 1276 C ASP A 79 -8.384 13.454 -2.802 1.00 0.00 C +ATOM 1277 O ASP A 79 -8.027 12.828 -1.806 1.00 0.00 O +ATOM 1278 CB ASP A 79 -9.382 15.300 -1.432 1.00 0.00 C +ATOM 1279 CG ASP A 79 -8.098 16.106 -1.367 1.00 0.00 C +ATOM 1280 OD1 ASP A 79 -7.402 16.209 -2.401 1.00 0.00 O +ATOM 1281 OD2 ASP A 79 -7.785 16.633 -0.280 1.00 0.00 O +ATOM 1282 H ASP A 79 -11.271 13.608 -1.935 1.00 0.00 H +ATOM 1283 HA ASP A 79 -9.446 15.141 -3.575 1.00 0.00 H +ATOM 1284 HB2 ASP A 79 -10.215 15.985 -1.365 1.00 0.00 H +ATOM 1285 HB3 ASP A 79 -9.406 14.630 -0.586 1.00 0.00 H +ATOM 1286 N LEU A 80 -7.818 13.299 -3.996 1.00 0.00 N +ATOM 1287 CA LEU A 80 -6.754 12.328 -4.215 1.00 0.00 C +ATOM 1288 C LEU A 80 -5.378 12.893 -3.871 1.00 0.00 C +ATOM 1289 O LEU A 80 -4.386 12.166 -3.892 1.00 0.00 O +ATOM 1290 CB LEU A 80 -6.757 11.851 -5.669 1.00 0.00 C +ATOM 1291 CG LEU A 80 -8.041 11.159 -6.135 1.00 0.00 C +ATOM 1292 CD1 LEU A 80 -7.948 10.818 -7.614 1.00 0.00 C +ATOM 1293 CD2 LEU A 80 -8.302 9.904 -5.315 1.00 0.00 C +ATOM 1294 H LEU A 80 -8.133 13.844 -4.748 1.00 0.00 H +ATOM 1295 HA LEU A 80 -6.951 11.483 -3.567 1.00 0.00 H +ATOM 1296 HB2 LEU A 80 -6.584 12.706 -6.305 1.00 0.00 H +ATOM 1297 HB3 LEU A 80 -5.937 11.159 -5.799 1.00 0.00 H +ATOM 1298 HG LEU A 80 -8.876 11.832 -5.998 1.00 0.00 H +ATOM 1299 HD11 LEU A 80 -7.496 11.642 -8.146 1.00 0.00 H +ATOM 1300 HD12 LEU A 80 -8.939 10.639 -8.005 1.00 0.00 H +ATOM 1301 HD13 LEU A 80 -7.345 9.932 -7.742 1.00 0.00 H +ATOM 1302 HD21 LEU A 80 -8.641 10.184 -4.326 1.00 0.00 H +ATOM 1303 HD22 LEU A 80 -7.392 9.330 -5.232 1.00 0.00 H +ATOM 1304 HD23 LEU A 80 -9.062 9.309 -5.799 1.00 0.00 H +ATOM 1305 N SER A 81 -5.312 14.188 -3.575 1.00 0.00 N +ATOM 1306 CA SER A 81 -4.044 14.818 -3.216 1.00 0.00 C +ATOM 1307 C SER A 81 -3.563 14.299 -1.862 1.00 0.00 C +ATOM 1308 O SER A 81 -2.377 14.366 -1.540 1.00 0.00 O +ATOM 1309 CB SER A 81 -4.186 16.342 -3.189 1.00 0.00 C +ATOM 1310 OG SER A 81 -4.519 16.844 -4.473 1.00 0.00 O +ATOM 1311 H SER A 81 -6.128 14.731 -3.609 1.00 0.00 H +ATOM 1312 HA SER A 81 -3.316 14.542 -3.965 1.00 0.00 H +ATOM 1313 HB2 SER A 81 -4.964 16.618 -2.493 1.00 0.00 H +ATOM 1314 HB3 SER A 81 -3.251 16.781 -2.876 1.00 0.00 H +ATOM 1315 HG SER A 81 -3.823 17.430 -4.778 1.00 0.00 H +ATOM 1316 N ASN A 82 -4.503 13.799 -1.068 1.00 0.00 N +ATOM 1317 CA ASN A 82 -4.194 13.235 0.238 1.00 0.00 C +ATOM 1318 C ASN A 82 -3.757 11.784 0.070 1.00 0.00 C +ATOM 1319 O ASN A 82 -4.531 10.945 -0.399 1.00 0.00 O +ATOM 1320 CB ASN A 82 -5.409 13.333 1.164 1.00 0.00 C +ATOM 1321 CG ASN A 82 -5.132 12.832 2.573 1.00 0.00 C +ATOM 1322 OD1 ASN A 82 -4.006 12.461 2.911 1.00 0.00 O +ATOM 1323 ND2 ASN A 82 -6.161 12.819 3.408 1.00 0.00 N +ATOM 1324 H ASN A 82 -5.433 13.797 -1.378 1.00 0.00 H +ATOM 1325 HA ASN A 82 -3.380 13.799 0.659 1.00 0.00 H +ATOM 1326 HB2 ASN A 82 -5.720 14.365 1.226 1.00 0.00 H +ATOM 1327 HB3 ASN A 82 -6.208 12.750 0.744 1.00 0.00 H +ATOM 1328 HD21 ASN A 82 -7.031 13.127 3.077 1.00 0.00 H +ATOM 1329 HD22 ASN A 82 -6.010 12.502 4.325 1.00 0.00 H +ATOM 1330 N ARG A 83 -2.515 11.499 0.457 1.00 0.00 N +ATOM 1331 CA ARG A 83 -1.956 10.156 0.322 1.00 0.00 C +ATOM 1332 C ARG A 83 -2.765 9.127 1.109 1.00 0.00 C +ATOM 1333 O ARG A 83 -2.907 7.986 0.670 1.00 0.00 O +ATOM 1334 CB ARG A 83 -0.486 10.122 0.744 1.00 0.00 C +ATOM 1335 CG ARG A 83 0.449 10.854 -0.208 1.00 0.00 C +ATOM 1336 CD ARG A 83 1.909 10.587 0.126 1.00 0.00 C +ATOM 1337 NE ARG A 83 2.282 11.120 1.436 1.00 0.00 N +ATOM 1338 CZ ARG A 83 2.716 12.363 1.635 1.00 0.00 C +ATOM 1339 NH1 ARG A 83 2.834 13.201 0.611 1.00 0.00 N +ATOM 1340 NH2 ARG A 83 3.035 12.765 2.859 1.00 0.00 N +ATOM 1341 H ARG A 83 -1.959 12.226 0.808 1.00 0.00 H +ATOM 1342 HA ARG A 83 -2.042 9.909 -0.724 1.00 0.00 H +ATOM 1343 HB2 ARG A 83 -0.392 10.575 1.721 1.00 0.00 H +ATOM 1344 HB3 ARG A 83 -0.165 9.092 0.805 1.00 0.00 H +ATOM 1345 HG2 ARG A 83 0.254 10.521 -1.217 1.00 0.00 H +ATOM 1346 HG3 ARG A 83 0.261 11.915 -0.137 1.00 0.00 H +ATOM 1347 HD2 ARG A 83 2.074 9.520 0.124 1.00 0.00 H +ATOM 1348 HD3 ARG A 83 2.528 11.048 -0.630 1.00 0.00 H +ATOM 1349 HE ARG A 83 2.203 10.520 2.207 1.00 0.00 H +ATOM 1350 HH11 ARG A 83 2.594 12.897 -0.311 1.00 0.00 H +ATOM 1351 HH12 ARG A 83 3.161 14.133 0.762 1.00 0.00 H +ATOM 1352 HH21 ARG A 83 2.947 12.136 3.630 1.00 0.00 H +ATOM 1353 HH22 ARG A 83 3.362 13.698 3.009 1.00 0.00 H +ATOM 1354 N GLU A 84 -3.292 9.521 2.266 1.00 0.00 N +ATOM 1355 CA GLU A 84 -4.086 8.606 3.082 1.00 0.00 C +ATOM 1356 C GLU A 84 -5.320 8.099 2.343 1.00 0.00 C +ATOM 1357 O GLU A 84 -5.600 6.906 2.380 1.00 0.00 O +ATOM 1358 CB GLU A 84 -4.510 9.275 4.389 1.00 0.00 C +ATOM 1359 CG GLU A 84 -3.374 9.431 5.381 1.00 0.00 C +ATOM 1360 CD GLU A 84 -3.746 10.299 6.568 1.00 0.00 C +ATOM 1361 OE1 GLU A 84 -4.765 11.018 6.483 1.00 0.00 O +ATOM 1362 OE2 GLU A 84 -3.019 10.260 7.582 1.00 0.00 O +ATOM 1363 H GLU A 84 -3.153 10.443 2.573 1.00 0.00 H +ATOM 1364 HA GLU A 84 -3.471 7.753 3.327 1.00 0.00 H +ATOM 1365 HB2 GLU A 84 -4.903 10.256 4.168 1.00 0.00 H +ATOM 1366 HB3 GLU A 84 -5.285 8.680 4.850 1.00 0.00 H +ATOM 1367 HG2 GLU A 84 -3.106 8.447 5.746 1.00 0.00 H +ATOM 1368 HG3 GLU A 84 -2.528 9.871 4.879 1.00 0.00 H +ATOM 1369 N LYS A 85 -6.049 8.978 1.656 1.00 0.00 N +ATOM 1370 CA LYS A 85 -7.241 8.537 0.929 1.00 0.00 C +ATOM 1371 C LYS A 85 -6.873 7.582 -0.199 1.00 0.00 C +ATOM 1372 O LYS A 85 -7.562 6.584 -0.414 1.00 0.00 O +ATOM 1373 CB LYS A 85 -8.050 9.711 0.380 1.00 0.00 C +ATOM 1374 CG LYS A 85 -8.788 10.520 1.429 1.00 0.00 C +ATOM 1375 CD LYS A 85 -9.563 11.657 0.780 1.00 0.00 C +ATOM 1376 CE LYS A 85 -10.239 12.539 1.818 1.00 0.00 C +ATOM 1377 NZ LYS A 85 -11.244 11.787 2.618 1.00 0.00 N +ATOM 1378 H LYS A 85 -5.780 9.920 1.630 1.00 0.00 H +ATOM 1379 HA LYS A 85 -7.833 7.964 1.623 1.00 0.00 H +ATOM 1380 HB2 LYS A 85 -7.374 10.380 -0.141 1.00 0.00 H +ATOM 1381 HB3 LYS A 85 -8.774 9.331 -0.326 1.00 0.00 H +ATOM 1382 HG2 LYS A 85 -9.481 9.873 1.947 1.00 0.00 H +ATOM 1383 HG3 LYS A 85 -8.079 10.928 2.132 1.00 0.00 H +ATOM 1384 HD2 LYS A 85 -8.882 12.256 0.190 1.00 0.00 H +ATOM 1385 HD3 LYS A 85 -10.317 11.236 0.132 1.00 0.00 H +ATOM 1386 HE2 LYS A 85 -9.485 12.933 2.483 1.00 0.00 H +ATOM 1387 HE3 LYS A 85 -10.733 13.356 1.310 1.00 0.00 H +ATOM 1388 HZ1 LYS A 85 -11.587 10.965 2.080 1.00 0.00 H +ATOM 1389 HZ2 LYS A 85 -12.054 12.400 2.842 1.00 0.00 H +ATOM 1390 HZ3 LYS A 85 -10.820 11.455 3.507 1.00 0.00 H +ATOM 1391 N VAL A 86 -5.797 7.882 -0.916 1.00 0.00 N +ATOM 1392 CA VAL A 86 -5.350 7.013 -1.997 1.00 0.00 C +ATOM 1393 C VAL A 86 -4.935 5.644 -1.446 1.00 0.00 C +ATOM 1394 O VAL A 86 -5.338 4.608 -1.972 1.00 0.00 O +ATOM 1395 CB VAL A 86 -4.190 7.657 -2.795 1.00 0.00 C +ATOM 1396 CG1 VAL A 86 -3.602 6.671 -3.792 1.00 0.00 C +ATOM 1397 CG2 VAL A 86 -4.686 8.903 -3.514 1.00 0.00 C +ATOM 1398 H VAL A 86 -5.306 8.711 -0.727 1.00 0.00 H +ATOM 1399 HA VAL A 86 -6.180 6.870 -2.675 1.00 0.00 H +ATOM 1400 HB VAL A 86 -3.408 7.952 -2.108 1.00 0.00 H +ATOM 1401 HG11 VAL A 86 -2.620 6.364 -3.461 1.00 0.00 H +ATOM 1402 HG12 VAL A 86 -3.524 7.141 -4.761 1.00 0.00 H +ATOM 1403 HG13 VAL A 86 -4.244 5.804 -3.863 1.00 0.00 H +ATOM 1404 HG21 VAL A 86 -4.454 9.778 -2.923 1.00 0.00 H +ATOM 1405 HG22 VAL A 86 -5.755 8.837 -3.653 1.00 0.00 H +ATOM 1406 HG23 VAL A 86 -4.203 8.981 -4.477 1.00 0.00 H +ATOM 1407 N LEU A 87 -4.149 5.654 -0.368 1.00 0.00 N +ATOM 1408 CA LEU A 87 -3.688 4.426 0.274 1.00 0.00 C +ATOM 1409 C LEU A 87 -4.845 3.625 0.874 1.00 0.00 C +ATOM 1410 O LEU A 87 -4.939 2.413 0.667 1.00 0.00 O +ATOM 1411 CB LEU A 87 -2.654 4.767 1.353 1.00 0.00 C +ATOM 1412 CG LEU A 87 -2.215 3.607 2.246 1.00 0.00 C +ATOM 1413 CD1 LEU A 87 -1.525 2.518 1.437 1.00 0.00 C +ATOM 1414 CD2 LEU A 87 -1.307 4.116 3.358 1.00 0.00 C +ATOM 1415 H LEU A 87 -3.893 6.515 0.031 1.00 0.00 H +ATOM 1416 HA LEU A 87 -3.232 3.804 -0.480 1.00 0.00 H +ATOM 1417 HB2 LEU A 87 -1.777 5.166 0.863 1.00 0.00 H +ATOM 1418 HB3 LEU A 87 -3.071 5.538 1.984 1.00 0.00 H +ATOM 1419 HG LEU A 87 -3.091 3.176 2.702 1.00 0.00 H +ATOM 1420 HD11 LEU A 87 -0.699 2.116 2.004 1.00 0.00 H +ATOM 1421 HD12 LEU A 87 -1.157 2.935 0.512 1.00 0.00 H +ATOM 1422 HD13 LEU A 87 -2.232 1.728 1.221 1.00 0.00 H +ATOM 1423 HD21 LEU A 87 -1.740 5.005 3.799 1.00 0.00 H +ATOM 1424 HD22 LEU A 87 -0.336 4.351 2.952 1.00 0.00 H +ATOM 1425 HD23 LEU A 87 -1.206 3.353 4.117 1.00 0.00 H +ATOM 1426 N ILE A 88 -5.722 4.299 1.610 1.00 0.00 N +ATOM 1427 CA ILE A 88 -6.863 3.640 2.239 1.00 0.00 C +ATOM 1428 C ILE A 88 -7.799 3.017 1.200 1.00 0.00 C +ATOM 1429 O ILE A 88 -8.214 1.865 1.342 1.00 0.00 O +ATOM 1430 CB ILE A 88 -7.631 4.616 3.155 1.00 0.00 C +ATOM 1431 CG1 ILE A 88 -6.771 4.938 4.383 1.00 0.00 C +ATOM 1432 CG2 ILE A 88 -8.980 4.039 3.572 1.00 0.00 C +ATOM 1433 CD1 ILE A 88 -7.257 6.120 5.186 1.00 0.00 C +ATOM 1434 H ILE A 88 -5.602 5.270 1.728 1.00 0.00 H +ATOM 1435 HA ILE A 88 -6.471 2.848 2.862 1.00 0.00 H +ATOM 1436 HB ILE A 88 -7.810 5.528 2.605 1.00 0.00 H +ATOM 1437 HG12 ILE A 88 -6.759 4.078 5.038 1.00 0.00 H +ATOM 1438 HG13 ILE A 88 -5.762 5.148 4.060 1.00 0.00 H +ATOM 1439 HG21 ILE A 88 -8.840 3.039 3.956 1.00 0.00 H +ATOM 1440 HG22 ILE A 88 -9.636 4.007 2.714 1.00 0.00 H +ATOM 1441 HG23 ILE A 88 -9.417 4.662 4.338 1.00 0.00 H +ATOM 1442 HD11 ILE A 88 -6.421 6.771 5.409 1.00 0.00 H +ATOM 1443 HD12 ILE A 88 -7.700 5.773 6.106 1.00 0.00 H +ATOM 1444 HD13 ILE A 88 -7.993 6.664 4.613 1.00 0.00 H +ATOM 1445 N ALA A 89 -8.119 3.776 0.150 1.00 0.00 N +ATOM 1446 CA ALA A 89 -9.000 3.278 -0.906 1.00 0.00 C +ATOM 1447 C ALA A 89 -8.381 2.082 -1.628 1.00 0.00 C +ATOM 1448 O ALA A 89 -9.076 1.107 -1.922 1.00 0.00 O +ATOM 1449 CB ALA A 89 -9.347 4.387 -1.885 1.00 0.00 C +ATOM 1450 H ALA A 89 -7.758 4.688 0.086 1.00 0.00 H +ATOM 1451 HA ALA A 89 -9.911 2.937 -0.438 1.00 0.00 H +ATOM 1452 HB1 ALA A 89 -8.825 4.221 -2.817 1.00 0.00 H +ATOM 1453 HB2 ALA A 89 -9.051 5.339 -1.470 1.00 0.00 H +ATOM 1454 HB3 ALA A 89 -10.412 4.388 -2.064 1.00 0.00 H +ATOM 1455 N LEU A 90 -7.078 2.151 -1.910 1.00 0.00 N +ATOM 1456 CA LEU A 90 -6.384 1.053 -2.585 1.00 0.00 C +ATOM 1457 C LEU A 90 -6.359 -0.194 -1.705 1.00 0.00 C +ATOM 1458 O LEU A 90 -6.511 -1.313 -2.199 1.00 0.00 O +ATOM 1459 CB LEU A 90 -4.954 1.452 -2.970 1.00 0.00 C +ATOM 1460 CG LEU A 90 -4.835 2.483 -4.090 1.00 0.00 C +ATOM 1461 CD1 LEU A 90 -3.393 2.945 -4.223 1.00 0.00 C +ATOM 1462 CD2 LEU A 90 -5.336 1.906 -5.406 1.00 0.00 C +ATOM 1463 H LEU A 90 -6.572 2.951 -1.647 1.00 0.00 H +ATOM 1464 HA LEU A 90 -6.934 0.821 -3.486 1.00 0.00 H +ATOM 1465 HB2 LEU A 90 -4.466 1.850 -2.091 1.00 0.00 H +ATOM 1466 HB3 LEU A 90 -4.424 0.562 -3.278 1.00 0.00 H +ATOM 1467 HG LEU A 90 -5.441 3.344 -3.845 1.00 0.00 H +ATOM 1468 HD11 LEU A 90 -3.294 3.938 -3.810 1.00 0.00 H +ATOM 1469 HD12 LEU A 90 -3.114 2.960 -5.265 1.00 0.00 H +ATOM 1470 HD13 LEU A 90 -2.745 2.267 -3.684 1.00 0.00 H +ATOM 1471 HD21 LEU A 90 -4.746 2.300 -6.220 1.00 0.00 H +ATOM 1472 HD22 LEU A 90 -6.371 2.179 -5.548 1.00 0.00 H +ATOM 1473 HD23 LEU A 90 -5.246 0.830 -5.385 1.00 0.00 H +ATOM 1474 N ARG A 91 -6.164 0.007 -0.399 1.00 0.00 N +ATOM 1475 CA ARG A 91 -6.117 -1.096 0.558 1.00 0.00 C +ATOM 1476 C ARG A 91 -7.458 -1.831 0.611 1.00 0.00 C +ATOM 1477 O ARG A 91 -7.501 -3.064 0.583 1.00 0.00 O +ATOM 1478 CB ARG A 91 -5.754 -0.571 1.951 1.00 0.00 C +ATOM 1479 CG ARG A 91 -5.632 -1.657 3.009 1.00 0.00 C +ATOM 1480 CD ARG A 91 -5.215 -1.083 4.352 1.00 0.00 C +ATOM 1481 NE ARG A 91 -5.122 -2.114 5.382 1.00 0.00 N +ATOM 1482 CZ ARG A 91 -4.768 -1.873 6.640 1.00 0.00 C +ATOM 1483 NH1 ARG A 91 -4.467 -0.638 7.022 1.00 0.00 N +ATOM 1484 NH2 ARG A 91 -4.712 -2.867 7.518 1.00 0.00 N +ATOM 1485 H ARG A 91 -6.096 0.925 -0.053 1.00 0.00 H +ATOM 1486 HA ARG A 91 -5.358 -1.795 0.238 1.00 0.00 H +ATOM 1487 HB2 ARG A 91 -4.810 -0.050 1.891 1.00 0.00 H +ATOM 1488 HB3 ARG A 91 -6.517 0.126 2.269 1.00 0.00 H +ATOM 1489 HG2 ARG A 91 -6.588 -2.148 3.119 1.00 0.00 H +ATOM 1490 HG3 ARG A 91 -4.891 -2.376 2.688 1.00 0.00 H +ATOM 1491 HD2 ARG A 91 -4.251 -0.608 4.244 1.00 0.00 H +ATOM 1492 HD3 ARG A 91 -5.945 -0.347 4.658 1.00 0.00 H +ATOM 1493 HE ARG A 91 -5.338 -3.035 5.122 1.00 0.00 H +ATOM 1494 HH11 ARG A 91 -4.508 0.113 6.360 1.00 0.00 H +ATOM 1495 HH12 ARG A 91 -4.200 -0.455 7.968 1.00 0.00 H +ATOM 1496 HH21 ARG A 91 -4.938 -3.799 7.231 1.00 0.00 H +ATOM 1497 HH22 ARG A 91 -4.444 -2.686 8.464 1.00 0.00 H +ATOM 1498 N LEU A 92 -8.547 -1.068 0.691 1.00 0.00 N +ATOM 1499 CA LEU A 92 -9.888 -1.646 0.743 1.00 0.00 C +ATOM 1500 C LEU A 92 -10.210 -2.405 -0.542 1.00 0.00 C +ATOM 1501 O LEU A 92 -10.819 -3.476 -0.502 1.00 0.00 O +ATOM 1502 CB LEU A 92 -10.935 -0.555 0.988 1.00 0.00 C +ATOM 1503 CG LEU A 92 -10.904 0.075 2.383 1.00 0.00 C +ATOM 1504 CD1 LEU A 92 -11.821 1.289 2.439 1.00 0.00 C +ATOM 1505 CD2 LEU A 92 -11.301 -0.943 3.441 1.00 0.00 C +ATOM 1506 H LEU A 92 -8.445 -0.090 0.741 1.00 0.00 H +ATOM 1507 HA LEU A 92 -9.908 -2.349 1.562 1.00 0.00 H +ATOM 1508 HB2 LEU A 92 -10.784 0.227 0.258 1.00 0.00 H +ATOM 1509 HB3 LEU A 92 -11.913 -0.985 0.833 1.00 0.00 H +ATOM 1510 HG LEU A 92 -9.898 0.408 2.598 1.00 0.00 H +ATOM 1511 HD11 LEU A 92 -11.908 1.625 3.461 1.00 0.00 H +ATOM 1512 HD12 LEU A 92 -12.797 1.019 2.063 1.00 0.00 H +ATOM 1513 HD13 LEU A 92 -11.407 2.080 1.832 1.00 0.00 H +ATOM 1514 HD21 LEU A 92 -11.674 -0.429 4.314 1.00 0.00 H +ATOM 1515 HD22 LEU A 92 -10.439 -1.536 3.713 1.00 0.00 H +ATOM 1516 HD23 LEU A 92 -12.071 -1.590 3.047 1.00 0.00 H +ATOM 1517 N LEU A 93 -9.800 -1.848 -1.680 1.00 0.00 N +ATOM 1518 CA LEU A 93 -10.035 -2.491 -2.969 1.00 0.00 C +ATOM 1519 C LEU A 93 -9.254 -3.801 -3.067 1.00 0.00 C +ATOM 1520 O LEU A 93 -9.758 -4.801 -3.579 1.00 0.00 O +ATOM 1521 CB LEU A 93 -9.630 -1.568 -4.121 1.00 0.00 C +ATOM 1522 CG LEU A 93 -10.517 -0.340 -4.328 1.00 0.00 C +ATOM 1523 CD1 LEU A 93 -9.895 0.591 -5.356 1.00 0.00 C +ATOM 1524 CD2 LEU A 93 -11.917 -0.754 -4.757 1.00 0.00 C +ATOM 1525 H LEU A 93 -9.316 -0.993 -1.648 1.00 0.00 H +ATOM 1526 HA LEU A 93 -11.091 -2.706 -3.045 1.00 0.00 H +ATOM 1527 HB2 LEU A 93 -8.620 -1.229 -3.941 1.00 0.00 H +ATOM 1528 HB3 LEU A 93 -9.637 -2.146 -5.033 1.00 0.00 H +ATOM 1529 HG LEU A 93 -10.596 0.200 -3.393 1.00 0.00 H +ATOM 1530 HD11 LEU A 93 -9.463 1.444 -4.854 1.00 0.00 H +ATOM 1531 HD12 LEU A 93 -10.655 0.927 -6.045 1.00 0.00 H +ATOM 1532 HD13 LEU A 93 -9.123 0.065 -5.899 1.00 0.00 H +ATOM 1533 HD21 LEU A 93 -12.110 -0.389 -5.755 1.00 0.00 H +ATOM 1534 HD22 LEU A 93 -12.642 -0.336 -4.075 1.00 0.00 H +ATOM 1535 HD23 LEU A 93 -11.995 -1.831 -4.748 1.00 0.00 H +ATOM 1536 N ALA A 94 -8.017 -3.782 -2.563 1.00 0.00 N +ATOM 1537 CA ALA A 94 -7.142 -4.954 -2.591 1.00 0.00 C +ATOM 1538 C ALA A 94 -7.711 -6.101 -1.770 1.00 0.00 C +ATOM 1539 O ALA A 94 -7.597 -7.265 -2.160 1.00 0.00 O +ATOM 1540 CB ALA A 94 -5.744 -4.594 -2.116 1.00 0.00 C +ATOM 1541 H ALA A 94 -7.684 -2.949 -2.157 1.00 0.00 H +ATOM 1542 HA ALA A 94 -7.077 -5.277 -3.619 1.00 0.00 H +ATOM 1543 HB1 ALA A 94 -5.667 -4.774 -1.055 1.00 0.00 H +ATOM 1544 HB2 ALA A 94 -5.551 -3.552 -2.322 1.00 0.00 H +ATOM 1545 HB3 ALA A 94 -5.020 -5.204 -2.638 1.00 0.00 H +ATOM 1546 N GLU A 95 -8.312 -5.775 -0.630 1.00 0.00 N +ATOM 1547 CA GLU A 95 -8.908 -6.784 0.235 1.00 0.00 C +ATOM 1548 C GLU A 95 -10.030 -7.511 -0.499 1.00 0.00 C +ATOM 1549 O GLU A 95 -10.203 -8.722 -0.354 1.00 0.00 O +ATOM 1550 CB GLU A 95 -9.444 -6.134 1.511 1.00 0.00 C +ATOM 1551 CG GLU A 95 -8.353 -5.642 2.451 1.00 0.00 C +ATOM 1552 CD GLU A 95 -8.895 -4.824 3.606 1.00 0.00 C +ATOM 1553 OE1 GLU A 95 -10.059 -4.376 3.525 1.00 0.00 O +ATOM 1554 OE2 GLU A 95 -8.157 -4.634 4.595 1.00 0.00 O +ATOM 1555 H GLU A 95 -8.369 -4.832 -0.359 1.00 0.00 H +ATOM 1556 HA GLU A 95 -8.143 -7.499 0.495 1.00 0.00 H +ATOM 1557 HB2 GLU A 95 -10.061 -5.289 1.238 1.00 0.00 H +ATOM 1558 HB3 GLU A 95 -10.050 -6.853 2.041 1.00 0.00 H +ATOM 1559 HG2 GLU A 95 -7.828 -6.496 2.852 1.00 0.00 H +ATOM 1560 HG3 GLU A 95 -7.662 -5.029 1.890 1.00 0.00 H +ATOM 1561 N GLU A 96 -10.792 -6.751 -1.284 1.00 0.00 N +ATOM 1562 CA GLU A 96 -11.887 -7.306 -2.072 1.00 0.00 C +ATOM 1563 C GLU A 96 -11.350 -8.303 -3.096 1.00 0.00 C +ATOM 1564 O GLU A 96 -11.937 -9.363 -3.323 1.00 0.00 O +ATOM 1565 CB GLU A 96 -12.626 -6.177 -2.795 1.00 0.00 C +ATOM 1566 CG GLU A 96 -13.431 -5.278 -1.867 1.00 0.00 C +ATOM 1567 CD GLU A 96 -13.982 -4.052 -2.570 1.00 0.00 C +ATOM 1568 OE1 GLU A 96 -13.500 -3.737 -3.680 1.00 0.00 O +ATOM 1569 OE2 GLU A 96 -14.896 -3.411 -2.013 1.00 0.00 O +ATOM 1570 H GLU A 96 -10.609 -5.788 -1.336 1.00 0.00 H +ATOM 1571 HA GLU A 96 -12.567 -7.812 -1.403 1.00 0.00 H +ATOM 1572 HB2 GLU A 96 -11.901 -5.561 -3.317 1.00 0.00 H +ATOM 1573 HB3 GLU A 96 -13.301 -6.610 -3.518 1.00 0.00 H +ATOM 1574 HG2 GLU A 96 -14.259 -5.843 -1.465 1.00 0.00 H +ATOM 1575 HG3 GLU A 96 -12.794 -4.953 -1.058 1.00 0.00 H +ATOM 1576 N ILE A 97 -10.224 -7.941 -3.705 1.00 0.00 N +ATOM 1577 CA ILE A 97 -9.569 -8.772 -4.710 1.00 0.00 C +ATOM 1578 C ILE A 97 -9.050 -10.069 -4.089 1.00 0.00 C +ATOM 1579 O ILE A 97 -9.233 -11.151 -4.647 1.00 0.00 O +ATOM 1580 CB ILE A 97 -8.407 -7.992 -5.359 1.00 0.00 C +ATOM 1581 CG1 ILE A 97 -8.978 -6.786 -6.092 1.00 0.00 C +ATOM 1582 CG2 ILE A 97 -7.613 -8.875 -6.319 1.00 0.00 C +ATOM 1583 CD1 ILE A 97 -7.939 -5.784 -6.502 1.00 0.00 C +ATOM 1584 H ILE A 97 -9.819 -7.079 -3.469 1.00 0.00 H +ATOM 1585 HA ILE A 97 -10.291 -9.008 -5.476 1.00 0.00 H +ATOM 1586 HB ILE A 97 -7.742 -7.653 -4.581 1.00 0.00 H +ATOM 1587 HG12 ILE A 97 -9.491 -7.117 -6.982 1.00 0.00 H +ATOM 1588 HG13 ILE A 97 -9.681 -6.281 -5.441 1.00 0.00 H +ATOM 1589 HG21 ILE A 97 -8.211 -9.086 -7.194 1.00 0.00 H +ATOM 1590 HG22 ILE A 97 -7.356 -9.803 -5.828 1.00 0.00 H +ATOM 1591 HG23 ILE A 97 -6.706 -8.363 -6.618 1.00 0.00 H +ATOM 1592 HD11 ILE A 97 -7.894 -4.994 -5.767 1.00 0.00 H +ATOM 1593 HD12 ILE A 97 -8.200 -5.369 -7.463 1.00 0.00 H +ATOM 1594 HD13 ILE A 97 -6.976 -6.271 -6.568 1.00 0.00 H +ATOM 1595 N GLY A 98 -8.402 -9.944 -2.930 1.00 0.00 N +ATOM 1596 CA GLY A 98 -7.873 -11.105 -2.229 1.00 0.00 C +ATOM 1597 C GLY A 98 -8.960 -12.069 -1.796 1.00 0.00 C +ATOM 1598 O GLY A 98 -8.758 -13.283 -1.788 1.00 0.00 O +ATOM 1599 H GLY A 98 -8.277 -9.045 -2.549 1.00 0.00 H +ATOM 1600 HA2 GLY A 98 -7.189 -11.624 -2.885 1.00 0.00 H +ATOM 1601 HA3 GLY A 98 -7.334 -10.769 -1.356 1.00 0.00 H +ATOM 1602 N ASP A 99 -10.110 -11.516 -1.414 1.00 0.00 N +ATOM 1603 CA ASP A 99 -11.255 -12.312 -0.974 1.00 0.00 C +ATOM 1604 C ASP A 99 -11.764 -13.225 -2.088 1.00 0.00 C +ATOM 1605 O ASP A 99 -12.147 -14.368 -1.839 1.00 0.00 O +ATOM 1606 CB ASP A 99 -12.387 -11.398 -0.497 1.00 0.00 C +ATOM 1607 CG ASP A 99 -13.544 -12.171 0.101 1.00 0.00 C +ATOM 1608 OD1 ASP A 99 -13.350 -12.805 1.162 1.00 0.00 O +ATOM 1609 OD2 ASP A 99 -14.645 -12.137 -0.483 1.00 0.00 O +ATOM 1610 H ASP A 99 -10.188 -10.535 -1.423 1.00 0.00 H +ATOM 1611 HA ASP A 99 -10.932 -12.926 -0.146 1.00 0.00 H +ATOM 1612 HB2 ASP A 99 -12.005 -10.723 0.254 1.00 0.00 H +ATOM 1613 HB3 ASP A 99 -12.756 -10.826 -1.335 1.00 0.00 H +ATOM 1614 N TYR A 100 -11.779 -12.710 -3.316 1.00 0.00 N +ATOM 1615 CA TYR A 100 -12.250 -13.481 -4.458 1.00 0.00 C +ATOM 1616 C TYR A 100 -11.176 -14.455 -4.932 1.00 0.00 C +ATOM 1617 O TYR A 100 -10.123 -14.050 -5.429 1.00 0.00 O +ATOM 1618 CB TYR A 100 -12.654 -12.543 -5.602 1.00 0.00 C +ATOM 1619 CG TYR A 100 -13.166 -13.263 -6.833 1.00 0.00 C +ATOM 1620 CD1 TYR A 100 -14.453 -13.787 -6.869 1.00 0.00 C +ATOM 1621 CD2 TYR A 100 -12.363 -13.420 -7.957 1.00 0.00 C +ATOM 1622 CE1 TYR A 100 -14.924 -14.446 -7.990 1.00 0.00 C +ATOM 1623 CE2 TYR A 100 -12.828 -14.077 -9.081 1.00 0.00 C +ATOM 1624 CZ TYR A 100 -14.108 -14.587 -9.092 1.00 0.00 C +ATOM 1625 OH TYR A 100 -14.572 -15.244 -10.208 1.00 0.00 O +ATOM 1626 H TYR A 100 -11.451 -11.802 -3.457 1.00 0.00 H +ATOM 1627 HA TYR A 100 -13.115 -14.044 -4.141 1.00 0.00 H +ATOM 1628 HB2 TYR A 100 -13.435 -11.882 -5.257 1.00 0.00 H +ATOM 1629 HB3 TYR A 100 -11.796 -11.957 -5.894 1.00 0.00 H +ATOM 1630 HD1 TYR A 100 -15.091 -13.675 -6.005 1.00 0.00 H +ATOM 1631 HD2 TYR A 100 -11.360 -13.019 -7.945 1.00 0.00 H +ATOM 1632 HE1 TYR A 100 -15.927 -14.846 -7.999 1.00 0.00 H +ATOM 1633 HE2 TYR A 100 -12.188 -14.188 -9.945 1.00 0.00 H +ATOM 1634 HH TYR A 100 -14.858 -16.128 -9.964 1.00 0.00 H +ATOM 1635 N LYS A 101 -11.457 -15.737 -4.778 1.00 0.00 N +ATOM 1636 CA LYS A 101 -10.528 -16.782 -5.195 1.00 0.00 C +ATOM 1637 C LYS A 101 -11.097 -17.556 -6.381 1.00 0.00 C +ATOM 1638 O LYS A 101 -12.299 -17.809 -6.442 1.00 0.00 O +ATOM 1639 CB LYS A 101 -10.245 -17.738 -4.033 1.00 0.00 C +ATOM 1640 CG LYS A 101 -9.595 -17.063 -2.832 1.00 0.00 C +ATOM 1641 CD LYS A 101 -9.410 -18.032 -1.673 1.00 0.00 C +ATOM 1642 CE LYS A 101 -8.326 -19.060 -1.965 1.00 0.00 C +ATOM 1643 NZ LYS A 101 -6.980 -18.431 -2.072 1.00 0.00 N +ATOM 1644 H LYS A 101 -12.307 -15.988 -4.367 1.00 0.00 H +ATOM 1645 HA LYS A 101 -9.609 -16.305 -5.496 1.00 0.00 H +ATOM 1646 HB2 LYS A 101 -11.175 -18.182 -3.711 1.00 0.00 H +ATOM 1647 HB3 LYS A 101 -9.586 -18.520 -4.380 1.00 0.00 H +ATOM 1648 HG2 LYS A 101 -8.630 -16.680 -3.126 1.00 0.00 H +ATOM 1649 HG3 LYS A 101 -10.225 -16.245 -2.510 1.00 0.00 H +ATOM 1650 HD2 LYS A 101 -9.134 -17.474 -0.790 1.00 0.00 H +ATOM 1651 HD3 LYS A 101 -10.343 -18.547 -1.495 1.00 0.00 H +ATOM 1652 HE2 LYS A 101 -8.311 -19.784 -1.166 1.00 0.00 H +ATOM 1653 HE3 LYS A 101 -8.558 -19.555 -2.895 1.00 0.00 H +ATOM 1654 HZ1 LYS A 101 -7.048 -17.407 -1.898 1.00 0.00 H +ATOM 1655 HZ2 LYS A 101 -6.589 -18.584 -3.023 1.00 0.00 H +ATOM 1656 HZ3 LYS A 101 -6.334 -18.851 -1.372 1.00 0.00 H +ATOM 1657 N ASP A 102 -10.227 -17.917 -7.322 1.00 0.00 N +ATOM 1658 CA ASP A 102 -10.642 -18.669 -8.509 1.00 0.00 C +ATOM 1659 C ASP A 102 -11.191 -20.044 -8.132 1.00 0.00 C +ATOM 1660 O ASP A 102 -12.200 -20.491 -8.677 1.00 0.00 O +ATOM 1661 CB ASP A 102 -9.473 -18.825 -9.485 1.00 0.00 C +ATOM 1662 CG ASP A 102 -9.883 -19.525 -10.765 1.00 0.00 C +ATOM 1663 OD1 ASP A 102 -10.697 -18.954 -11.519 1.00 0.00 O +ATOM 1664 OD2 ASP A 102 -9.388 -20.645 -11.012 1.00 0.00 O +ATOM 1665 H ASP A 102 -9.285 -17.671 -7.219 1.00 0.00 H +ATOM 1666 HA ASP A 102 -11.428 -18.107 -8.993 1.00 0.00 H +ATOM 1667 HB2 ASP A 102 -9.090 -17.849 -9.740 1.00 0.00 H +ATOM 1668 HB3 ASP A 102 -8.693 -19.405 -9.015 1.00 0.00 H +ATOM 1669 N ASP A 103 -10.515 -20.713 -7.204 1.00 0.00 N +ATOM 1670 CA ASP A 103 -10.930 -22.037 -6.753 1.00 0.00 C +ATOM 1671 C ASP A 103 -10.380 -22.317 -5.358 1.00 0.00 C +ATOM 1672 O ASP A 103 -9.375 -21.732 -4.956 1.00 0.00 O +ATOM 1673 CB ASP A 103 -10.445 -23.110 -7.736 1.00 0.00 C +ATOM 1674 CG ASP A 103 -11.267 -24.383 -7.666 1.00 0.00 C +ATOM 1675 OD1 ASP A 103 -12.266 -24.407 -6.914 1.00 0.00 O +ATOM 1676 OD2 ASP A 103 -10.908 -25.358 -8.356 1.00 0.00 O +ATOM 1677 H ASP A 103 -9.722 -20.302 -6.801 1.00 0.00 H +ATOM 1678 HA ASP A 103 -12.010 -22.053 -6.715 1.00 0.00 H +ATOM 1679 HB2 ASP A 103 -10.506 -22.722 -8.740 1.00 0.00 H +ATOM 1680 HB3 ASP A 103 -9.418 -23.355 -7.511 1.00 0.00 H +ATOM 1681 N ASP A 104 -11.045 -23.210 -4.625 1.00 0.00 N +ATOM 1682 CA ASP A 104 -10.625 -23.567 -3.269 1.00 0.00 C +ATOM 1683 C ASP A 104 -9.312 -24.351 -3.286 1.00 0.00 C +ATOM 1684 O ASP A 104 -8.529 -24.285 -2.341 1.00 0.00 O +ATOM 1685 CB ASP A 104 -11.717 -24.388 -2.575 1.00 0.00 C +ATOM 1686 CG ASP A 104 -11.536 -24.447 -1.071 1.00 0.00 C +ATOM 1687 OD1 ASP A 104 -10.998 -23.477 -0.498 1.00 0.00 O +ATOM 1688 OD2 ASP A 104 -11.936 -25.464 -0.467 1.00 0.00 O +ATOM 1689 H ASP A 104 -11.841 -23.639 -5.010 1.00 0.00 H +ATOM 1690 HA ASP A 104 -10.471 -22.651 -2.718 1.00 0.00 H +ATOM 1691 HB2 ASP A 104 -12.678 -23.944 -2.783 1.00 0.00 H +ATOM 1692 HB3 ASP A 104 -11.699 -25.396 -2.960 1.00 0.00 H +ATOM 1693 N ASP A 105 -9.090 -25.095 -4.377 1.00 0.00 N +ATOM 1694 CA ASP A 105 -7.878 -25.905 -4.561 1.00 0.00 C +ATOM 1695 C ASP A 105 -7.691 -26.921 -3.428 1.00 0.00 C +ATOM 1696 O ASP A 105 -6.584 -27.110 -2.926 1.00 0.00 O +ATOM 1697 CB ASP A 105 -6.640 -25.004 -4.665 1.00 0.00 C +ATOM 1698 CG ASP A 105 -5.466 -25.700 -5.328 1.00 0.00 C +ATOM 1699 OD1 ASP A 105 -5.697 -26.680 -6.067 1.00 0.00 O +ATOM 1700 OD2 ASP A 105 -4.317 -25.263 -5.109 1.00 0.00 O +ATOM 1701 H ASP A 105 -9.767 -25.098 -5.083 1.00 0.00 H +ATOM 1702 HA ASP A 105 -7.986 -26.447 -5.489 1.00 0.00 H +ATOM 1703 HB2 ASP A 105 -6.886 -24.128 -5.245 1.00 0.00 H +ATOM 1704 HB3 ASP A 105 -6.341 -24.702 -3.672 1.00 0.00 H +ATOM 1705 N LYS A 106 -8.779 -27.574 -3.037 1.00 0.00 N +ATOM 1706 CA LYS A 106 -8.733 -28.575 -1.973 1.00 0.00 C +ATOM 1707 C LYS A 106 -9.393 -29.871 -2.428 1.00 0.00 C +ATOM 1708 O LYS A 106 -9.057 -30.936 -1.870 1.00 0.00 O +ATOM 1709 CB LYS A 106 -9.422 -28.060 -0.702 1.00 0.00 C +ATOM 1710 CG LYS A 106 -8.808 -26.789 -0.129 1.00 0.00 C +ATOM 1711 CD LYS A 106 -7.383 -27.018 0.351 1.00 0.00 C +ATOM 1712 CE LYS A 106 -6.796 -25.760 0.970 1.00 0.00 C +ATOM 1713 NZ LYS A 106 -5.397 -25.968 1.435 1.00 0.00 N +ATOM 1714 OXT LYS A 106 -10.244 -29.808 -3.342 1.00 0.00 O +ATOM 1715 H LYS A 106 -9.633 -27.387 -3.478 1.00 0.00 H +ATOM 1716 HA LYS A 106 -7.694 -28.775 -1.755 1.00 0.00 H +ATOM 1717 HB2 LYS A 106 -10.459 -27.860 -0.926 1.00 0.00 H +ATOM 1718 HB3 LYS A 106 -9.371 -28.830 0.054 1.00 0.00 H +ATOM 1719 HG2 LYS A 106 -8.799 -26.027 -0.895 1.00 0.00 H +ATOM 1720 HG3 LYS A 106 -9.409 -26.455 0.705 1.00 0.00 H +ATOM 1721 HD2 LYS A 106 -7.383 -27.805 1.090 1.00 0.00 H +ATOM 1722 HD3 LYS A 106 -6.773 -27.311 -0.493 1.00 0.00 H +ATOM 1723 HE2 LYS A 106 -6.805 -24.972 0.232 1.00 0.00 H +ATOM 1724 HE3 LYS A 106 -7.407 -25.470 1.812 1.00 0.00 H +ATOM 1725 HZ1 LYS A 106 -5.008 -25.079 1.808 1.00 0.00 H +ATOM 1726 HZ2 LYS A 106 -4.801 -26.288 0.645 1.00 0.00 H +ATOM 1727 HZ3 LYS A 106 -5.373 -26.688 2.186 1.00 0.00 H +TER 1728 LYS A 106 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_FS_MAD2_1DUJA_1GO4A/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_MAD2_1DUJA_1GO4A/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..8a80018a8a2d1e2e50bfe3a796cce513bcfff995 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_MAD2_1DUJA_1GO4A/state_a.pdb @@ -0,0 +1,3038 @@ +ATOM 1 N GLY A 11 -13.163 20.461 -13.989 1.00 0.00 N +ATOM 2 CA GLY A 11 -14.542 20.111 -13.542 1.00 0.00 C +ATOM 3 C GLY A 11 -15.370 21.388 -13.395 1.00 0.00 C +ATOM 4 O GLY A 11 -15.036 22.272 -12.631 1.00 0.00 O +ATOM 5 H1 GLY A 11 -13.208 20.954 -14.903 1.00 0.00 H +ATOM 6 H2 GLY A 11 -12.601 19.591 -14.091 1.00 0.00 H +ATOM 7 H3 GLY A 11 -12.717 21.082 -13.285 1.00 0.00 H +ATOM 8 HA2 GLY A 11 -15.003 19.463 -14.274 1.00 0.00 H +ATOM 9 HA3 GLY A 11 -14.495 19.605 -12.590 1.00 0.00 H +ATOM 10 N SER A 12 -16.449 21.495 -14.122 1.00 0.00 N +ATOM 11 CA SER A 12 -17.296 22.718 -14.022 1.00 0.00 C +ATOM 12 C SER A 12 -18.523 22.445 -13.147 1.00 0.00 C +ATOM 13 O SER A 12 -19.304 21.554 -13.416 1.00 0.00 O +ATOM 14 CB SER A 12 -17.720 23.024 -15.458 1.00 0.00 C +ATOM 15 OG SER A 12 -18.034 21.808 -16.124 1.00 0.00 O +ATOM 16 H SER A 12 -16.702 20.772 -14.733 1.00 0.00 H +ATOM 17 HA SER A 12 -16.723 23.540 -13.625 1.00 0.00 H +ATOM 18 HB2 SER A 12 -18.591 23.659 -15.450 1.00 0.00 H +ATOM 19 HB3 SER A 12 -16.913 23.530 -15.971 1.00 0.00 H +ATOM 20 HG SER A 12 -17.306 21.596 -16.712 1.00 0.00 H +ATOM 21 N ILE A 13 -18.699 23.208 -12.103 1.00 0.00 N +ATOM 22 CA ILE A 13 -19.876 22.997 -11.211 1.00 0.00 C +ATOM 23 C ILE A 13 -20.589 24.331 -10.965 1.00 0.00 C +ATOM 24 O ILE A 13 -20.112 25.378 -11.354 1.00 0.00 O +ATOM 25 CB ILE A 13 -19.294 22.443 -9.910 1.00 0.00 C +ATOM 26 CG1 ILE A 13 -18.268 21.352 -10.235 1.00 0.00 C +ATOM 27 CG2 ILE A 13 -20.417 21.846 -9.061 1.00 0.00 C +ATOM 28 CD1 ILE A 13 -17.733 20.743 -8.936 1.00 0.00 C +ATOM 29 H ILE A 13 -18.058 23.923 -11.906 1.00 0.00 H +ATOM 30 HA ILE A 13 -20.555 22.281 -11.647 1.00 0.00 H +ATOM 31 HB ILE A 13 -18.814 23.240 -9.362 1.00 0.00 H +ATOM 32 HG12 ILE A 13 -18.739 20.581 -10.827 1.00 0.00 H +ATOM 33 HG13 ILE A 13 -17.449 21.783 -10.791 1.00 0.00 H +ATOM 34 HG21 ILE A 13 -19.991 21.247 -8.270 1.00 0.00 H +ATOM 35 HG22 ILE A 13 -21.047 21.226 -9.683 1.00 0.00 H +ATOM 36 HG23 ILE A 13 -21.007 22.642 -8.632 1.00 0.00 H +ATOM 37 HD11 ILE A 13 -16.824 21.249 -8.647 1.00 0.00 H +ATOM 38 HD12 ILE A 13 -17.526 19.693 -9.090 1.00 0.00 H +ATOM 39 HD13 ILE A 13 -18.471 20.853 -8.155 1.00 0.00 H +ATOM 40 N THR A 14 -21.730 24.307 -10.328 1.00 0.00 N +ATOM 41 CA THR A 14 -22.462 25.582 -10.071 1.00 0.00 C +ATOM 42 C THR A 14 -22.808 25.720 -8.585 1.00 0.00 C +ATOM 43 O THR A 14 -23.679 25.046 -8.074 1.00 0.00 O +ATOM 44 CB THR A 14 -23.741 25.489 -10.908 1.00 0.00 C +ATOM 45 OG1 THR A 14 -23.404 25.505 -12.288 1.00 0.00 O +ATOM 46 CG2 THR A 14 -24.656 26.678 -10.590 1.00 0.00 C +ATOM 47 H THR A 14 -22.104 23.454 -10.023 1.00 0.00 H +ATOM 48 HA THR A 14 -21.872 26.424 -10.397 1.00 0.00 H +ATOM 49 HB THR A 14 -24.258 24.572 -10.674 1.00 0.00 H +ATOM 50 HG1 THR A 14 -22.741 26.187 -12.424 1.00 0.00 H +ATOM 51 HG21 THR A 14 -24.489 27.003 -9.574 1.00 0.00 H +ATOM 52 HG22 THR A 14 -25.689 26.380 -10.706 1.00 0.00 H +ATOM 53 HG23 THR A 14 -24.441 27.491 -11.268 1.00 0.00 H +ATOM 54 N LEU A 15 -22.147 26.611 -7.898 1.00 0.00 N +ATOM 55 CA LEU A 15 -22.451 26.822 -6.456 1.00 0.00 C +ATOM 56 C LEU A 15 -23.477 27.941 -6.333 1.00 0.00 C +ATOM 57 O LEU A 15 -23.150 29.075 -6.051 1.00 0.00 O +ATOM 58 CB LEU A 15 -21.127 27.230 -5.819 1.00 0.00 C +ATOM 59 CG LEU A 15 -20.395 25.982 -5.331 1.00 0.00 C +ATOM 60 CD1 LEU A 15 -19.123 26.398 -4.597 1.00 0.00 C +ATOM 61 CD2 LEU A 15 -21.304 25.204 -4.376 1.00 0.00 C +ATOM 62 H LEU A 15 -21.465 27.159 -8.337 1.00 0.00 H +ATOM 63 HA LEU A 15 -22.820 25.914 -6.007 1.00 0.00 H +ATOM 64 HB2 LEU A 15 -20.519 27.744 -6.550 1.00 0.00 H +ATOM 65 HB3 LEU A 15 -21.316 27.885 -4.982 1.00 0.00 H +ATOM 66 HG LEU A 15 -20.138 25.360 -6.176 1.00 0.00 H +ATOM 67 HD11 LEU A 15 -18.335 25.693 -4.816 1.00 0.00 H +ATOM 68 HD12 LEU A 15 -19.311 26.412 -3.534 1.00 0.00 H +ATOM 69 HD13 LEU A 15 -18.826 27.383 -4.924 1.00 0.00 H +ATOM 70 HD21 LEU A 15 -21.858 25.898 -3.760 1.00 0.00 H +ATOM 71 HD22 LEU A 15 -20.703 24.566 -3.746 1.00 0.00 H +ATOM 72 HD23 LEU A 15 -21.994 24.600 -4.946 1.00 0.00 H +ATOM 73 N ARG A 16 -24.714 27.631 -6.577 1.00 0.00 N +ATOM 74 CA ARG A 16 -25.770 28.675 -6.514 1.00 0.00 C +ATOM 75 C ARG A 16 -26.617 28.531 -5.248 1.00 0.00 C +ATOM 76 O ARG A 16 -26.293 27.780 -4.349 1.00 0.00 O +ATOM 77 CB ARG A 16 -26.623 28.420 -7.756 1.00 0.00 C +ATOM 78 CG ARG A 16 -27.479 27.166 -7.547 1.00 0.00 C +ATOM 79 CD ARG A 16 -27.152 26.136 -8.631 1.00 0.00 C +ATOM 80 NE ARG A 16 -27.904 26.591 -9.833 1.00 0.00 N +ATOM 81 CZ ARG A 16 -28.908 25.887 -10.280 1.00 0.00 C +ATOM 82 NH1 ARG A 16 -30.037 25.870 -9.625 1.00 0.00 N +ATOM 83 NH2 ARG A 16 -28.782 25.198 -11.381 1.00 0.00 N +ATOM 84 H ARG A 16 -24.944 26.712 -6.824 1.00 0.00 H +ATOM 85 HA ARG A 16 -25.327 29.658 -6.567 1.00 0.00 H +ATOM 86 HB2 ARG A 16 -27.266 29.268 -7.933 1.00 0.00 H +ATOM 87 HB3 ARG A 16 -25.978 28.272 -8.608 1.00 0.00 H +ATOM 88 HG2 ARG A 16 -27.268 26.743 -6.576 1.00 0.00 H +ATOM 89 HG3 ARG A 16 -28.524 27.429 -7.607 1.00 0.00 H +ATOM 90 HD2 ARG A 16 -26.090 26.126 -8.829 1.00 0.00 H +ATOM 91 HD3 ARG A 16 -27.490 25.156 -8.332 1.00 0.00 H +ATOM 92 HE ARG A 16 -27.645 27.420 -10.288 1.00 0.00 H +ATOM 93 HH11 ARG A 16 -30.133 26.396 -8.780 1.00 0.00 H +ATOM 94 HH12 ARG A 16 -30.806 25.331 -9.969 1.00 0.00 H +ATOM 95 HH21 ARG A 16 -27.916 25.210 -11.882 1.00 0.00 H +ATOM 96 HH22 ARG A 16 -29.551 24.660 -11.725 1.00 0.00 H +ATOM 97 N GLY A 17 -27.707 29.247 -5.177 1.00 0.00 N +ATOM 98 CA GLY A 17 -28.585 29.155 -3.977 1.00 0.00 C +ATOM 99 C GLY A 17 -29.117 30.545 -3.633 1.00 0.00 C +ATOM 100 O GLY A 17 -30.120 30.986 -4.159 1.00 0.00 O +ATOM 101 H GLY A 17 -27.949 29.846 -5.918 1.00 0.00 H +ATOM 102 HA2 GLY A 17 -29.412 28.491 -4.186 1.00 0.00 H +ATOM 103 HA3 GLY A 17 -28.018 28.773 -3.143 1.00 0.00 H +ATOM 104 N SER A 18 -28.450 31.240 -2.756 1.00 0.00 N +ATOM 105 CA SER A 18 -28.910 32.606 -2.377 1.00 0.00 C +ATOM 106 C SER A 18 -27.734 33.412 -1.824 1.00 0.00 C +ATOM 107 O SER A 18 -26.673 32.879 -1.571 1.00 0.00 O +ATOM 108 CB SER A 18 -29.966 32.383 -1.296 1.00 0.00 C +ATOM 109 OG SER A 18 -31.175 31.948 -1.904 1.00 0.00 O +ATOM 110 H SER A 18 -27.643 30.866 -2.347 1.00 0.00 H +ATOM 111 HA SER A 18 -29.348 33.107 -3.226 1.00 0.00 H +ATOM 112 HB2 SER A 18 -29.625 31.630 -0.606 1.00 0.00 H +ATOM 113 HB3 SER A 18 -30.133 33.309 -0.761 1.00 0.00 H +ATOM 114 HG SER A 18 -31.205 30.990 -1.852 1.00 0.00 H +ATOM 115 N ALA A 19 -27.909 34.689 -1.634 1.00 0.00 N +ATOM 116 CA ALA A 19 -26.791 35.515 -1.096 1.00 0.00 C +ATOM 117 C ALA A 19 -26.113 34.782 0.065 1.00 0.00 C +ATOM 118 O ALA A 19 -24.913 34.591 0.076 1.00 0.00 O +ATOM 119 CB ALA A 19 -27.449 36.805 -0.607 1.00 0.00 C +ATOM 120 H ALA A 19 -28.771 35.105 -1.844 1.00 0.00 H +ATOM 121 HA ALA A 19 -26.076 35.735 -1.874 1.00 0.00 H +ATOM 122 HB1 ALA A 19 -27.275 36.918 0.453 1.00 0.00 H +ATOM 123 HB2 ALA A 19 -28.511 36.761 -0.796 1.00 0.00 H +ATOM 124 HB3 ALA A 19 -27.024 37.647 -1.133 1.00 0.00 H +ATOM 125 N GLU A 20 -26.873 34.374 1.044 1.00 0.00 N +ATOM 126 CA GLU A 20 -26.282 33.660 2.204 1.00 0.00 C +ATOM 127 C GLU A 20 -25.860 32.242 1.808 1.00 0.00 C +ATOM 128 O GLU A 20 -24.739 31.831 2.033 1.00 0.00 O +ATOM 129 CB GLU A 20 -27.395 33.618 3.251 1.00 0.00 C +ATOM 130 CG GLU A 20 -27.836 35.044 3.586 1.00 0.00 C +ATOM 131 CD GLU A 20 -29.360 35.093 3.708 1.00 0.00 C +ATOM 132 OE1 GLU A 20 -30.023 34.705 2.760 1.00 0.00 O +ATOM 133 OE2 GLU A 20 -29.838 35.518 4.747 1.00 0.00 O +ATOM 134 H GLU A 20 -27.831 34.542 1.020 1.00 0.00 H +ATOM 135 HA GLU A 20 -25.447 34.209 2.582 1.00 0.00 H +ATOM 136 HB2 GLU A 20 -28.235 33.062 2.861 1.00 0.00 H +ATOM 137 HB3 GLU A 20 -27.029 33.137 4.146 1.00 0.00 H +ATOM 138 HG2 GLU A 20 -27.389 35.348 4.522 1.00 0.00 H +ATOM 139 HG3 GLU A 20 -27.518 35.713 2.801 1.00 0.00 H +ATOM 140 N ILE A 21 -26.753 31.494 1.224 1.00 0.00 N +ATOM 141 CA ILE A 21 -26.416 30.103 0.816 1.00 0.00 C +ATOM 142 C ILE A 21 -25.221 30.110 -0.136 1.00 0.00 C +ATOM 143 O ILE A 21 -24.372 29.243 -0.088 1.00 0.00 O +ATOM 144 CB ILE A 21 -27.675 29.583 0.110 1.00 0.00 C +ATOM 145 CG1 ILE A 21 -28.686 29.099 1.159 1.00 0.00 C +ATOM 146 CG2 ILE A 21 -27.313 28.425 -0.829 1.00 0.00 C +ATOM 147 CD1 ILE A 21 -28.292 27.707 1.664 1.00 0.00 C +ATOM 148 H ILE A 21 -27.644 31.845 1.058 1.00 0.00 H +ATOM 149 HA ILE A 21 -26.204 29.506 1.683 1.00 0.00 H +ATOM 150 HB ILE A 21 -28.114 30.383 -0.467 1.00 0.00 H +ATOM 151 HG12 ILE A 21 -28.700 29.791 1.988 1.00 0.00 H +ATOM 152 HG13 ILE A 21 -29.669 29.052 0.714 1.00 0.00 H +ATOM 153 HG21 ILE A 21 -28.215 28.010 -1.253 1.00 0.00 H +ATOM 154 HG22 ILE A 21 -26.791 27.660 -0.274 1.00 0.00 H +ATOM 155 HG23 ILE A 21 -26.678 28.791 -1.623 1.00 0.00 H +ATOM 156 HD11 ILE A 21 -28.899 26.961 1.171 1.00 0.00 H +ATOM 157 HD12 ILE A 21 -28.450 27.653 2.730 1.00 0.00 H +ATOM 158 HD13 ILE A 21 -27.251 27.526 1.443 1.00 0.00 H +ATOM 159 N VAL A 22 -25.146 31.083 -0.997 1.00 0.00 N +ATOM 160 CA VAL A 22 -24.002 31.144 -1.946 1.00 0.00 C +ATOM 161 C VAL A 22 -22.708 31.329 -1.163 1.00 0.00 C +ATOM 162 O VAL A 22 -21.752 30.602 -1.338 1.00 0.00 O +ATOM 163 CB VAL A 22 -24.282 32.357 -2.829 1.00 0.00 C +ATOM 164 CG1 VAL A 22 -23.005 32.761 -3.569 1.00 0.00 C +ATOM 165 CG2 VAL A 22 -25.365 31.995 -3.843 1.00 0.00 C +ATOM 166 H VAL A 22 -25.838 31.776 -1.014 1.00 0.00 H +ATOM 167 HA VAL A 22 -23.958 30.248 -2.546 1.00 0.00 H +ATOM 168 HB VAL A 22 -24.619 33.180 -2.215 1.00 0.00 H +ATOM 169 HG11 VAL A 22 -23.162 33.707 -4.065 1.00 0.00 H +ATOM 170 HG12 VAL A 22 -22.759 32.007 -4.301 1.00 0.00 H +ATOM 171 HG13 VAL A 22 -22.194 32.855 -2.862 1.00 0.00 H +ATOM 172 HG21 VAL A 22 -25.629 32.870 -4.416 1.00 0.00 H +ATOM 173 HG22 VAL A 22 -26.237 31.629 -3.320 1.00 0.00 H +ATOM 174 HG23 VAL A 22 -24.995 31.227 -4.505 1.00 0.00 H +ATOM 175 N ALA A 23 -22.678 32.292 -0.287 1.00 0.00 N +ATOM 176 CA ALA A 23 -21.454 32.514 0.519 1.00 0.00 C +ATOM 177 C ALA A 23 -21.028 31.194 1.160 1.00 0.00 C +ATOM 178 O ALA A 23 -19.875 30.811 1.115 1.00 0.00 O +ATOM 179 CB ALA A 23 -21.859 33.529 1.588 1.00 0.00 C +ATOM 180 H ALA A 23 -23.462 32.860 -0.155 1.00 0.00 H +ATOM 181 HA ALA A 23 -20.668 32.914 -0.096 1.00 0.00 H +ATOM 182 HB1 ALA A 23 -22.420 34.331 1.130 1.00 0.00 H +ATOM 183 HB2 ALA A 23 -20.973 33.931 2.056 1.00 0.00 H +ATOM 184 HB3 ALA A 23 -22.471 33.043 2.333 1.00 0.00 H +ATOM 185 N GLU A 24 -21.956 30.490 1.753 1.00 0.00 N +ATOM 186 CA GLU A 24 -21.615 29.194 2.391 1.00 0.00 C +ATOM 187 C GLU A 24 -21.246 28.161 1.323 1.00 0.00 C +ATOM 188 O GLU A 24 -20.242 27.484 1.414 1.00 0.00 O +ATOM 189 CB GLU A 24 -22.881 28.772 3.139 1.00 0.00 C +ATOM 190 CG GLU A 24 -23.455 29.973 3.893 1.00 0.00 C +ATOM 191 CD GLU A 24 -23.687 29.594 5.357 1.00 0.00 C +ATOM 192 OE1 GLU A 24 -23.063 28.648 5.809 1.00 0.00 O +ATOM 193 OE2 GLU A 24 -24.485 30.255 6.001 1.00 0.00 O +ATOM 194 H GLU A 24 -22.878 30.812 1.773 1.00 0.00 H +ATOM 195 HA GLU A 24 -20.810 29.327 3.081 1.00 0.00 H +ATOM 196 HB2 GLU A 24 -23.611 28.406 2.432 1.00 0.00 H +ATOM 197 HB3 GLU A 24 -22.638 27.991 3.843 1.00 0.00 H +ATOM 198 HG2 GLU A 24 -22.759 30.798 3.840 1.00 0.00 H +ATOM 199 HG3 GLU A 24 -24.394 30.264 3.446 1.00 0.00 H +ATOM 200 N PHE A 25 -22.061 28.042 0.313 1.00 0.00 N +ATOM 201 CA PHE A 25 -21.784 27.059 -0.775 1.00 0.00 C +ATOM 202 C PHE A 25 -20.328 27.152 -1.235 1.00 0.00 C +ATOM 203 O PHE A 25 -19.643 26.157 -1.364 1.00 0.00 O +ATOM 204 CB PHE A 25 -22.718 27.475 -1.912 1.00 0.00 C +ATOM 205 CG PHE A 25 -23.708 26.373 -2.204 1.00 0.00 C +ATOM 206 CD1 PHE A 25 -24.167 25.541 -1.176 1.00 0.00 C +ATOM 207 CD2 PHE A 25 -24.171 26.188 -3.512 1.00 0.00 C +ATOM 208 CE1 PHE A 25 -25.087 24.528 -1.457 1.00 0.00 C +ATOM 209 CE2 PHE A 25 -25.091 25.173 -3.792 1.00 0.00 C +ATOM 210 CZ PHE A 25 -25.549 24.343 -2.765 1.00 0.00 C +ATOM 211 H PHE A 25 -22.864 28.601 0.271 1.00 0.00 H +ATOM 212 HA PHE A 25 -22.015 26.059 -0.452 1.00 0.00 H +ATOM 213 HB2 PHE A 25 -23.251 28.369 -1.628 1.00 0.00 H +ATOM 214 HB3 PHE A 25 -22.134 27.674 -2.798 1.00 0.00 H +ATOM 215 HD1 PHE A 25 -23.812 25.677 -0.166 1.00 0.00 H +ATOM 216 HD2 PHE A 25 -23.817 26.829 -4.305 1.00 0.00 H +ATOM 217 HE1 PHE A 25 -25.441 23.886 -0.664 1.00 0.00 H +ATOM 218 HE2 PHE A 25 -25.448 25.030 -4.802 1.00 0.00 H +ATOM 219 HZ PHE A 25 -26.257 23.558 -2.980 1.00 0.00 H +ATOM 220 N PHE A 26 -19.856 28.338 -1.498 1.00 0.00 N +ATOM 221 CA PHE A 26 -18.459 28.497 -1.964 1.00 0.00 C +ATOM 222 C PHE A 26 -17.482 28.099 -0.860 1.00 0.00 C +ATOM 223 O PHE A 26 -16.611 27.276 -1.051 1.00 0.00 O +ATOM 224 CB PHE A 26 -18.324 29.986 -2.294 1.00 0.00 C +ATOM 225 CG PHE A 26 -16.863 30.355 -2.386 1.00 0.00 C +ATOM 226 CD1 PHE A 26 -16.155 30.705 -1.230 1.00 0.00 C +ATOM 227 CD2 PHE A 26 -16.216 30.345 -3.626 1.00 0.00 C +ATOM 228 CE1 PHE A 26 -14.800 31.045 -1.315 1.00 0.00 C +ATOM 229 CE2 PHE A 26 -14.861 30.685 -3.712 1.00 0.00 C +ATOM 230 CZ PHE A 26 -14.153 31.035 -2.556 1.00 0.00 C +ATOM 231 H PHE A 26 -20.422 29.122 -1.397 1.00 0.00 H +ATOM 232 HA PHE A 26 -18.295 27.911 -2.847 1.00 0.00 H +ATOM 233 HB2 PHE A 26 -18.807 30.190 -3.238 1.00 0.00 H +ATOM 234 HB3 PHE A 26 -18.793 30.570 -1.516 1.00 0.00 H +ATOM 235 HD1 PHE A 26 -16.655 30.713 -0.273 1.00 0.00 H +ATOM 236 HD2 PHE A 26 -16.761 30.077 -4.516 1.00 0.00 H +ATOM 237 HE1 PHE A 26 -14.254 31.315 -0.423 1.00 0.00 H +ATOM 238 HE2 PHE A 26 -14.362 30.676 -4.670 1.00 0.00 H +ATOM 239 HZ PHE A 26 -13.108 31.295 -2.620 1.00 0.00 H +ATOM 240 N SER A 27 -17.615 28.685 0.291 1.00 0.00 N +ATOM 241 CA SER A 27 -16.684 28.352 1.402 1.00 0.00 C +ATOM 242 C SER A 27 -16.645 26.841 1.650 1.00 0.00 C +ATOM 243 O SER A 27 -15.590 26.241 1.666 1.00 0.00 O +ATOM 244 CB SER A 27 -17.224 29.099 2.621 1.00 0.00 C +ATOM 245 OG SER A 27 -16.908 28.366 3.797 1.00 0.00 O +ATOM 246 H SER A 27 -18.319 29.351 0.423 1.00 0.00 H +ATOM 247 HA SER A 27 -15.699 28.708 1.164 1.00 0.00 H +ATOM 248 HB2 SER A 27 -16.770 30.074 2.679 1.00 0.00 H +ATOM 249 HB3 SER A 27 -18.295 29.208 2.531 1.00 0.00 H +ATOM 250 HG SER A 27 -17.711 27.937 4.104 1.00 0.00 H +ATOM 251 N PHE A 28 -17.774 26.213 1.840 1.00 0.00 N +ATOM 252 CA PHE A 28 -17.756 24.741 2.082 1.00 0.00 C +ATOM 253 C PHE A 28 -17.180 24.025 0.864 1.00 0.00 C +ATOM 254 O PHE A 28 -16.358 23.138 0.981 1.00 0.00 O +ATOM 255 CB PHE A 28 -19.213 24.342 2.303 1.00 0.00 C +ATOM 256 CG PHE A 28 -19.354 23.677 3.653 1.00 0.00 C +ATOM 257 CD1 PHE A 28 -18.329 22.860 4.141 1.00 0.00 C +ATOM 258 CD2 PHE A 28 -20.505 23.888 4.422 1.00 0.00 C +ATOM 259 CE1 PHE A 28 -18.456 22.253 5.396 1.00 0.00 C +ATOM 260 CE2 PHE A 28 -20.629 23.287 5.676 1.00 0.00 C +ATOM 261 CZ PHE A 28 -19.606 22.468 6.163 1.00 0.00 C +ATOM 262 H PHE A 28 -18.623 26.701 1.822 1.00 0.00 H +ATOM 263 HA PHE A 28 -17.175 24.517 2.959 1.00 0.00 H +ATOM 264 HB2 PHE A 28 -19.828 25.223 2.271 1.00 0.00 H +ATOM 265 HB3 PHE A 28 -19.522 23.656 1.529 1.00 0.00 H +ATOM 266 HD1 PHE A 28 -17.442 22.694 3.549 1.00 0.00 H +ATOM 267 HD2 PHE A 28 -21.299 24.509 4.046 1.00 0.00 H +ATOM 268 HE1 PHE A 28 -17.668 21.619 5.771 1.00 0.00 H +ATOM 269 HE2 PHE A 28 -21.517 23.451 6.268 1.00 0.00 H +ATOM 270 HZ PHE A 28 -19.705 22.003 7.131 1.00 0.00 H +ATOM 271 N GLY A 29 -17.596 24.412 -0.308 1.00 0.00 N +ATOM 272 CA GLY A 29 -17.061 23.761 -1.533 1.00 0.00 C +ATOM 273 C GLY A 29 -15.564 24.048 -1.629 1.00 0.00 C +ATOM 274 O GLY A 29 -14.772 23.181 -1.940 1.00 0.00 O +ATOM 275 H GLY A 29 -18.254 25.136 -0.382 1.00 0.00 H +ATOM 276 HA2 GLY A 29 -17.226 22.694 -1.478 1.00 0.00 H +ATOM 277 HA3 GLY A 29 -17.558 24.161 -2.404 1.00 0.00 H +ATOM 278 N ILE A 30 -15.169 25.263 -1.358 1.00 0.00 N +ATOM 279 CA ILE A 30 -13.730 25.610 -1.427 1.00 0.00 C +ATOM 280 C ILE A 30 -12.958 24.890 -0.320 1.00 0.00 C +ATOM 281 O ILE A 30 -11.933 24.279 -0.559 1.00 0.00 O +ATOM 282 CB ILE A 30 -13.686 27.123 -1.232 1.00 0.00 C +ATOM 283 CG1 ILE A 30 -14.399 27.800 -2.409 1.00 0.00 C +ATOM 284 CG2 ILE A 30 -12.230 27.591 -1.163 1.00 0.00 C +ATOM 285 CD1 ILE A 30 -13.486 27.820 -3.636 1.00 0.00 C +ATOM 286 H ILE A 30 -15.818 25.947 -1.106 1.00 0.00 H +ATOM 287 HA ILE A 30 -13.337 25.354 -2.392 1.00 0.00 H +ATOM 288 HB ILE A 30 -14.189 27.379 -0.310 1.00 0.00 H +ATOM 289 HG12 ILE A 30 -15.298 27.250 -2.646 1.00 0.00 H +ATOM 290 HG13 ILE A 30 -14.659 28.810 -2.137 1.00 0.00 H +ATOM 291 HG21 ILE A 30 -11.720 27.316 -2.074 1.00 0.00 H +ATOM 292 HG22 ILE A 30 -11.741 27.124 -0.321 1.00 0.00 H +ATOM 293 HG23 ILE A 30 -12.202 28.665 -1.045 1.00 0.00 H +ATOM 294 HD11 ILE A 30 -12.756 27.027 -3.555 1.00 0.00 H +ATOM 295 HD12 ILE A 30 -12.981 28.773 -3.693 1.00 0.00 H +ATOM 296 HD13 ILE A 30 -14.080 27.673 -4.526 1.00 0.00 H +ATOM 297 N ASN A 31 -13.442 24.949 0.893 1.00 0.00 N +ATOM 298 CA ASN A 31 -12.730 24.260 1.998 1.00 0.00 C +ATOM 299 C ASN A 31 -12.649 22.766 1.693 1.00 0.00 C +ATOM 300 O ASN A 31 -11.728 22.085 2.098 1.00 0.00 O +ATOM 301 CB ASN A 31 -13.571 24.517 3.248 1.00 0.00 C +ATOM 302 CG ASN A 31 -12.725 25.263 4.282 1.00 0.00 C +ATOM 303 OD1 ASN A 31 -11.997 24.654 5.041 1.00 0.00 O +ATOM 304 ND2 ASN A 31 -12.788 26.565 4.341 1.00 0.00 N +ATOM 305 H ASN A 31 -14.269 25.438 1.075 1.00 0.00 H +ATOM 306 HA ASN A 31 -11.749 24.678 2.120 1.00 0.00 H +ATOM 307 HB2 ASN A 31 -14.431 25.115 2.988 1.00 0.00 H +ATOM 308 HB3 ASN A 31 -13.898 23.576 3.664 1.00 0.00 H +ATOM 309 HD21 ASN A 31 -13.374 27.056 3.728 1.00 0.00 H +ATOM 310 HD22 ASN A 31 -12.248 27.052 4.999 1.00 0.00 H +ATOM 311 N SER A 32 -13.607 22.256 0.968 1.00 0.00 N +ATOM 312 CA SER A 32 -13.595 20.818 0.619 1.00 0.00 C +ATOM 313 C SER A 32 -12.387 20.517 -0.267 1.00 0.00 C +ATOM 314 O SER A 32 -11.616 19.618 -0.003 1.00 0.00 O +ATOM 315 CB SER A 32 -14.897 20.590 -0.145 1.00 0.00 C +ATOM 316 OG SER A 32 -15.301 19.237 0.008 1.00 0.00 O +ATOM 317 H SER A 32 -14.332 22.821 0.649 1.00 0.00 H +ATOM 318 HA SER A 32 -13.577 20.219 1.509 1.00 0.00 H +ATOM 319 HB2 SER A 32 -15.665 21.236 0.247 1.00 0.00 H +ATOM 320 HB3 SER A 32 -14.742 20.815 -1.193 1.00 0.00 H +ATOM 321 HG SER A 32 -16.250 19.194 -0.127 1.00 0.00 H +ATOM 322 N ILE A 33 -12.208 21.272 -1.314 1.00 0.00 N +ATOM 323 CA ILE A 33 -11.044 21.028 -2.201 1.00 0.00 C +ATOM 324 C ILE A 33 -9.782 20.982 -1.342 1.00 0.00 C +ATOM 325 O ILE A 33 -8.915 20.152 -1.528 1.00 0.00 O +ATOM 326 CB ILE A 33 -11.023 22.213 -3.178 1.00 0.00 C +ATOM 327 CG1 ILE A 33 -11.874 21.871 -4.404 1.00 0.00 C +ATOM 328 CG2 ILE A 33 -9.588 22.499 -3.633 1.00 0.00 C +ATOM 329 CD1 ILE A 33 -13.301 21.539 -3.964 1.00 0.00 C +ATOM 330 H ILE A 33 -12.828 22.000 -1.508 1.00 0.00 H +ATOM 331 HA ILE A 33 -11.173 20.105 -2.737 1.00 0.00 H +ATOM 332 HB ILE A 33 -11.427 23.088 -2.690 1.00 0.00 H +ATOM 333 HG12 ILE A 33 -11.892 22.716 -5.076 1.00 0.00 H +ATOM 334 HG13 ILE A 33 -11.448 21.017 -4.910 1.00 0.00 H +ATOM 335 HG21 ILE A 33 -9.213 21.656 -4.194 1.00 0.00 H +ATOM 336 HG22 ILE A 33 -8.962 22.663 -2.768 1.00 0.00 H +ATOM 337 HG23 ILE A 33 -9.577 23.380 -4.257 1.00 0.00 H +ATOM 338 HD11 ILE A 33 -13.800 22.444 -3.648 1.00 0.00 H +ATOM 339 HD12 ILE A 33 -13.272 20.839 -3.144 1.00 0.00 H +ATOM 340 HD13 ILE A 33 -13.842 21.098 -4.791 1.00 0.00 H +ATOM 341 N LEU A 34 -9.687 21.868 -0.392 1.00 0.00 N +ATOM 342 CA LEU A 34 -8.498 21.882 0.494 1.00 0.00 C +ATOM 343 C LEU A 34 -8.479 20.623 1.364 1.00 0.00 C +ATOM 344 O LEU A 34 -7.471 19.960 1.496 1.00 0.00 O +ATOM 345 CB LEU A 34 -8.659 23.133 1.358 1.00 0.00 C +ATOM 346 CG LEU A 34 -7.873 24.286 0.733 1.00 0.00 C +ATOM 347 CD1 LEU A 34 -6.412 23.868 0.550 1.00 0.00 C +ATOM 348 CD2 LEU A 34 -8.477 24.633 -0.629 1.00 0.00 C +ATOM 349 H LEU A 34 -10.402 22.521 -0.261 1.00 0.00 H +ATOM 350 HA LEU A 34 -7.603 21.953 -0.093 1.00 0.00 H +ATOM 351 HB2 LEU A 34 -9.705 23.397 1.415 1.00 0.00 H +ATOM 352 HB3 LEU A 34 -8.281 22.937 2.350 1.00 0.00 H +ATOM 353 HG LEU A 34 -7.922 25.148 1.383 1.00 0.00 H +ATOM 354 HD11 LEU A 34 -5.777 24.517 1.133 1.00 0.00 H +ATOM 355 HD12 LEU A 34 -6.144 23.944 -0.494 1.00 0.00 H +ATOM 356 HD13 LEU A 34 -6.285 22.848 0.881 1.00 0.00 H +ATOM 357 HD21 LEU A 34 -9.539 24.441 -0.611 1.00 0.00 H +ATOM 358 HD22 LEU A 34 -8.014 24.027 -1.393 1.00 0.00 H +ATOM 359 HD23 LEU A 34 -8.303 25.677 -0.843 1.00 0.00 H +ATOM 360 N TYR A 35 -9.593 20.287 1.957 1.00 0.00 N +ATOM 361 CA TYR A 35 -9.652 19.078 2.811 1.00 0.00 C +ATOM 362 C TYR A 35 -9.378 17.835 1.963 1.00 0.00 C +ATOM 363 O TYR A 35 -8.557 17.006 2.300 1.00 0.00 O +ATOM 364 CB TYR A 35 -11.085 19.083 3.362 1.00 0.00 C +ATOM 365 CG TYR A 35 -11.565 17.672 3.649 1.00 0.00 C +ATOM 366 CD1 TYR A 35 -10.675 16.702 4.129 1.00 0.00 C +ATOM 367 CD2 TYR A 35 -12.906 17.338 3.428 1.00 0.00 C +ATOM 368 CE1 TYR A 35 -11.126 15.402 4.383 1.00 0.00 C +ATOM 369 CE2 TYR A 35 -13.357 16.038 3.683 1.00 0.00 C +ATOM 370 CZ TYR A 35 -12.467 15.070 4.159 1.00 0.00 C +ATOM 371 OH TYR A 35 -12.911 13.788 4.409 1.00 0.00 O +ATOM 372 H TYR A 35 -10.393 20.827 1.839 1.00 0.00 H +ATOM 373 HA TYR A 35 -8.946 19.157 3.615 1.00 0.00 H +ATOM 374 HB2 TYR A 35 -11.112 19.663 4.269 1.00 0.00 H +ATOM 375 HB3 TYR A 35 -11.741 19.538 2.633 1.00 0.00 H +ATOM 376 HD1 TYR A 35 -9.640 16.956 4.299 1.00 0.00 H +ATOM 377 HD2 TYR A 35 -13.595 18.085 3.060 1.00 0.00 H +ATOM 378 HE1 TYR A 35 -10.439 14.654 4.752 1.00 0.00 H +ATOM 379 HE2 TYR A 35 -14.392 15.782 3.511 1.00 0.00 H +ATOM 380 HH TYR A 35 -12.379 13.422 5.119 1.00 0.00 H +ATOM 381 N GLN A 36 -10.069 17.701 0.870 1.00 0.00 N +ATOM 382 CA GLN A 36 -9.865 16.519 0.001 1.00 0.00 C +ATOM 383 C GLN A 36 -8.476 16.565 -0.631 1.00 0.00 C +ATOM 384 O GLN A 36 -7.697 15.640 -0.511 1.00 0.00 O +ATOM 385 CB GLN A 36 -10.954 16.628 -1.059 1.00 0.00 C +ATOM 386 CG GLN A 36 -12.221 15.953 -0.540 1.00 0.00 C +ATOM 387 CD GLN A 36 -13.111 16.983 0.153 1.00 0.00 C +ATOM 388 OE1 GLN A 36 -12.638 17.787 0.928 1.00 0.00 O +ATOM 389 NE2 GLN A 36 -14.393 16.988 -0.089 1.00 0.00 N +ATOM 390 H GLN A 36 -10.724 18.377 0.621 1.00 0.00 H +ATOM 391 HA GLN A 36 -9.995 15.619 0.569 1.00 0.00 H +ATOM 392 HB2 GLN A 36 -11.156 17.669 -1.265 1.00 0.00 H +ATOM 393 HB3 GLN A 36 -10.630 16.135 -1.964 1.00 0.00 H +ATOM 394 HG2 GLN A 36 -12.752 15.519 -1.364 1.00 0.00 H +ATOM 395 HG3 GLN A 36 -11.956 15.180 0.163 1.00 0.00 H +ATOM 396 HE21 GLN A 36 -14.776 16.335 -0.710 1.00 0.00 H +ATOM 397 HE22 GLN A 36 -14.972 17.646 0.349 1.00 0.00 H +ATOM 398 N ARG A 37 -8.157 17.640 -1.290 1.00 0.00 N +ATOM 399 CA ARG A 37 -6.811 17.753 -1.915 1.00 0.00 C +ATOM 400 C ARG A 37 -5.801 18.197 -0.858 1.00 0.00 C +ATOM 401 O ARG A 37 -4.891 17.471 -0.508 1.00 0.00 O +ATOM 402 CB ARG A 37 -6.963 18.817 -3.003 1.00 0.00 C +ATOM 403 CG ARG A 37 -8.229 18.540 -3.819 1.00 0.00 C +ATOM 404 CD ARG A 37 -8.297 17.053 -4.178 1.00 0.00 C +ATOM 405 NE ARG A 37 -9.119 16.993 -5.418 1.00 0.00 N +ATOM 406 CZ ARG A 37 -8.589 16.572 -6.534 1.00 0.00 C +ATOM 407 NH1 ARG A 37 -7.653 15.663 -6.509 1.00 0.00 N +ATOM 408 NH2 ARG A 37 -8.997 17.057 -7.675 1.00 0.00 N +ATOM 409 H ARG A 37 -8.798 18.379 -1.362 1.00 0.00 H +ATOM 410 HA ARG A 37 -6.515 16.813 -2.353 1.00 0.00 H +ATOM 411 HB2 ARG A 37 -7.036 19.793 -2.544 1.00 0.00 H +ATOM 412 HB3 ARG A 37 -6.104 18.790 -3.656 1.00 0.00 H +ATOM 413 HG2 ARG A 37 -9.098 18.810 -3.236 1.00 0.00 H +ATOM 414 HG3 ARG A 37 -8.208 19.126 -4.726 1.00 0.00 H +ATOM 415 HD2 ARG A 37 -7.304 16.667 -4.362 1.00 0.00 H +ATOM 416 HD3 ARG A 37 -8.778 16.497 -3.388 1.00 0.00 H +ATOM 417 HE ARG A 37 -10.059 17.270 -5.396 1.00 0.00 H +ATOM 418 HH11 ARG A 37 -7.341 15.290 -5.635 1.00 0.00 H +ATOM 419 HH12 ARG A 37 -7.247 15.341 -7.364 1.00 0.00 H +ATOM 420 HH21 ARG A 37 -9.716 17.753 -7.694 1.00 0.00 H +ATOM 421 HH22 ARG A 37 -8.591 16.734 -8.529 1.00 0.00 H +ATOM 422 N GLY A 38 -5.966 19.380 -0.336 1.00 0.00 N +ATOM 423 CA GLY A 38 -5.035 19.872 0.708 1.00 0.00 C +ATOM 424 C GLY A 38 -3.603 19.532 0.322 1.00 0.00 C +ATOM 425 O GLY A 38 -3.068 18.512 0.708 1.00 0.00 O +ATOM 426 H GLY A 38 -6.708 19.944 -0.626 1.00 0.00 H +ATOM 427 HA2 GLY A 38 -5.138 20.944 0.805 1.00 0.00 H +ATOM 428 HA3 GLY A 38 -5.271 19.401 1.649 1.00 0.00 H +ATOM 429 N ILE A 39 -2.972 20.381 -0.434 1.00 0.00 N +ATOM 430 CA ILE A 39 -1.574 20.111 -0.826 1.00 0.00 C +ATOM 431 C ILE A 39 -0.666 20.283 0.396 1.00 0.00 C +ATOM 432 O ILE A 39 0.514 20.001 0.351 1.00 0.00 O +ATOM 433 CB ILE A 39 -1.254 21.140 -1.910 1.00 0.00 C +ATOM 434 CG1 ILE A 39 -2.294 21.030 -3.028 1.00 0.00 C +ATOM 435 CG2 ILE A 39 0.137 20.863 -2.481 1.00 0.00 C +ATOM 436 CD1 ILE A 39 -2.174 22.232 -3.966 1.00 0.00 C +ATOM 437 H ILE A 39 -3.414 21.195 -0.734 1.00 0.00 H +ATOM 438 HA ILE A 39 -1.492 19.119 -1.223 1.00 0.00 H +ATOM 439 HB ILE A 39 -1.281 22.133 -1.486 1.00 0.00 H +ATOM 440 HG12 ILE A 39 -2.126 20.120 -3.587 1.00 0.00 H +ATOM 441 HG13 ILE A 39 -3.284 21.009 -2.598 1.00 0.00 H +ATOM 442 HG21 ILE A 39 0.055 20.180 -3.313 1.00 0.00 H +ATOM 443 HG22 ILE A 39 0.761 20.425 -1.716 1.00 0.00 H +ATOM 444 HG23 ILE A 39 0.579 21.789 -2.819 1.00 0.00 H +ATOM 445 HD11 ILE A 39 -3.153 22.503 -4.331 1.00 0.00 H +ATOM 446 HD12 ILE A 39 -1.538 21.976 -4.800 1.00 0.00 H +ATOM 447 HD13 ILE A 39 -1.747 23.066 -3.430 1.00 0.00 H +ATOM 448 N TYR A 40 -1.221 20.730 1.498 1.00 0.00 N +ATOM 449 CA TYR A 40 -0.409 20.908 2.734 1.00 0.00 C +ATOM 450 C TYR A 40 -1.288 21.378 3.902 1.00 0.00 C +ATOM 451 O TYR A 40 -1.053 22.416 4.488 1.00 0.00 O +ATOM 452 CB TYR A 40 0.651 21.950 2.373 1.00 0.00 C +ATOM 453 CG TYR A 40 0.078 23.347 2.427 1.00 0.00 C +ATOM 454 CD1 TYR A 40 -1.063 23.677 1.689 1.00 0.00 C +ATOM 455 CD2 TYR A 40 0.707 24.318 3.211 1.00 0.00 C +ATOM 456 CE1 TYR A 40 -1.577 24.978 1.740 1.00 0.00 C +ATOM 457 CE2 TYR A 40 0.200 25.617 3.262 1.00 0.00 C +ATOM 458 CZ TYR A 40 -0.946 25.950 2.527 1.00 0.00 C +ATOM 459 OH TYR A 40 -1.451 27.233 2.574 1.00 0.00 O +ATOM 460 H TYR A 40 -2.176 20.936 1.514 1.00 0.00 H +ATOM 461 HA TYR A 40 0.071 19.984 2.988 1.00 0.00 H +ATOM 462 HB2 TYR A 40 1.471 21.877 3.072 1.00 0.00 H +ATOM 463 HB3 TYR A 40 1.017 21.755 1.376 1.00 0.00 H +ATOM 464 HD1 TYR A 40 -1.547 22.930 1.080 1.00 0.00 H +ATOM 465 HD2 TYR A 40 1.583 24.062 3.783 1.00 0.00 H +ATOM 466 HE1 TYR A 40 -2.460 25.233 1.173 1.00 0.00 H +ATOM 467 HE2 TYR A 40 0.697 26.362 3.864 1.00 0.00 H +ATOM 468 HH TYR A 40 -2.076 27.332 1.852 1.00 0.00 H +ATOM 469 N PRO A 41 -2.277 20.579 4.208 1.00 0.00 N +ATOM 470 CA PRO A 41 -3.202 20.898 5.315 1.00 0.00 C +ATOM 471 C PRO A 41 -2.620 20.408 6.644 1.00 0.00 C +ATOM 472 O PRO A 41 -1.431 20.196 6.772 1.00 0.00 O +ATOM 473 CB PRO A 41 -4.456 20.106 4.961 1.00 0.00 C +ATOM 474 CG PRO A 41 -3.984 18.961 4.113 1.00 0.00 C +ATOM 475 CD PRO A 41 -2.626 19.317 3.555 1.00 0.00 C +ATOM 476 HA PRO A 41 -3.421 21.953 5.348 1.00 0.00 H +ATOM 477 HB2 PRO A 41 -4.933 19.737 5.858 1.00 0.00 H +ATOM 478 HB3 PRO A 41 -5.141 20.721 4.398 1.00 0.00 H +ATOM 479 HG2 PRO A 41 -3.910 18.068 4.718 1.00 0.00 H +ATOM 480 HG3 PRO A 41 -4.676 18.797 3.303 1.00 0.00 H +ATOM 481 HD2 PRO A 41 -1.905 18.549 3.801 1.00 0.00 H +ATOM 482 HD3 PRO A 41 -2.683 19.453 2.491 1.00 0.00 H +ATOM 483 N SER A 42 -3.453 20.216 7.629 1.00 0.00 N +ATOM 484 CA SER A 42 -2.957 19.725 8.944 1.00 0.00 C +ATOM 485 C SER A 42 -4.055 18.914 9.636 1.00 0.00 C +ATOM 486 O SER A 42 -5.212 18.983 9.271 1.00 0.00 O +ATOM 487 CB SER A 42 -2.629 20.985 9.745 1.00 0.00 C +ATOM 488 OG SER A 42 -1.218 21.143 9.812 1.00 0.00 O +ATOM 489 H SER A 42 -4.409 20.386 7.501 1.00 0.00 H +ATOM 490 HA SER A 42 -2.070 19.127 8.814 1.00 0.00 H +ATOM 491 HB2 SER A 42 -3.060 21.845 9.260 1.00 0.00 H +ATOM 492 HB3 SER A 42 -3.040 20.894 10.742 1.00 0.00 H +ATOM 493 HG SER A 42 -1.007 22.042 9.552 1.00 0.00 H +ATOM 494 N GLU A 43 -3.708 18.148 10.632 1.00 0.00 N +ATOM 495 CA GLU A 43 -4.739 17.339 11.342 1.00 0.00 C +ATOM 496 C GLU A 43 -5.632 18.256 12.176 1.00 0.00 C +ATOM 497 O GLU A 43 -5.762 18.094 13.373 1.00 0.00 O +ATOM 498 CB GLU A 43 -3.950 16.390 12.244 1.00 0.00 C +ATOM 499 CG GLU A 43 -4.887 15.312 12.793 1.00 0.00 C +ATOM 500 CD GLU A 43 -4.481 13.947 12.234 1.00 0.00 C +ATOM 501 OE1 GLU A 43 -3.685 13.920 11.309 1.00 0.00 O +ATOM 502 OE2 GLU A 43 -4.973 12.952 12.739 1.00 0.00 O +ATOM 503 H GLU A 43 -2.774 18.107 10.915 1.00 0.00 H +ATOM 504 HA GLU A 43 -5.328 16.775 10.636 1.00 0.00 H +ATOM 505 HB2 GLU A 43 -3.158 15.925 11.674 1.00 0.00 H +ATOM 506 HB3 GLU A 43 -3.524 16.945 13.066 1.00 0.00 H +ATOM 507 HG2 GLU A 43 -4.822 15.294 13.871 1.00 0.00 H +ATOM 508 HG3 GLU A 43 -5.902 15.532 12.497 1.00 0.00 H +ATOM 509 N THR A 44 -6.240 19.227 11.553 1.00 0.00 N +ATOM 510 CA THR A 44 -7.110 20.158 12.303 1.00 0.00 C +ATOM 511 C THR A 44 -8.497 20.262 11.661 1.00 0.00 C +ATOM 512 O THR A 44 -9.276 21.130 12.003 1.00 0.00 O +ATOM 513 CB THR A 44 -6.391 21.507 12.246 1.00 0.00 C +ATOM 514 OG1 THR A 44 -6.388 21.982 10.907 1.00 0.00 O +ATOM 515 CG2 THR A 44 -4.951 21.342 12.735 1.00 0.00 C +ATOM 516 H THR A 44 -6.117 19.345 10.601 1.00 0.00 H +ATOM 517 HA THR A 44 -7.192 19.834 13.315 1.00 0.00 H +ATOM 518 HB THR A 44 -6.902 22.215 12.879 1.00 0.00 H +ATOM 519 HG1 THR A 44 -5.637 21.591 10.455 1.00 0.00 H +ATOM 520 HG21 THR A 44 -4.930 21.391 13.814 1.00 0.00 H +ATOM 521 HG22 THR A 44 -4.339 22.132 12.326 1.00 0.00 H +ATOM 522 HG23 THR A 44 -4.568 20.385 12.411 1.00 0.00 H +ATOM 523 N PHE A 45 -8.821 19.399 10.733 1.00 0.00 N +ATOM 524 CA PHE A 45 -10.164 19.484 10.094 1.00 0.00 C +ATOM 525 C PHE A 45 -11.259 19.621 11.152 1.00 0.00 C +ATOM 526 O PHE A 45 -11.005 19.626 12.340 1.00 0.00 O +ATOM 527 CB PHE A 45 -10.360 18.164 9.353 1.00 0.00 C +ATOM 528 CG PHE A 45 -9.556 18.120 8.074 1.00 0.00 C +ATOM 529 CD1 PHE A 45 -9.160 19.299 7.428 1.00 0.00 C +ATOM 530 CD2 PHE A 45 -9.221 16.879 7.526 1.00 0.00 C +ATOM 531 CE1 PHE A 45 -8.428 19.231 6.240 1.00 0.00 C +ATOM 532 CE2 PHE A 45 -8.491 16.812 6.339 1.00 0.00 C +ATOM 533 CZ PHE A 45 -8.093 17.988 5.693 1.00 0.00 C +ATOM 534 H PHE A 45 -8.188 18.703 10.453 1.00 0.00 H +ATOM 535 HA PHE A 45 -10.203 20.308 9.409 1.00 0.00 H +ATOM 536 HB2 PHE A 45 -10.056 17.353 9.990 1.00 0.00 H +ATOM 537 HB3 PHE A 45 -11.403 18.052 9.118 1.00 0.00 H +ATOM 538 HD1 PHE A 45 -9.416 20.257 7.842 1.00 0.00 H +ATOM 539 HD2 PHE A 45 -9.526 15.971 8.024 1.00 0.00 H +ATOM 540 HE1 PHE A 45 -8.123 20.138 5.744 1.00 0.00 H +ATOM 541 HE2 PHE A 45 -8.238 15.852 5.920 1.00 0.00 H +ATOM 542 HZ PHE A 45 -7.529 17.936 4.774 1.00 0.00 H +ATOM 543 N THR A 46 -12.482 19.715 10.715 1.00 0.00 N +ATOM 544 CA THR A 46 -13.619 19.836 11.666 1.00 0.00 C +ATOM 545 C THR A 46 -14.874 19.220 11.042 1.00 0.00 C +ATOM 546 O THR A 46 -15.214 19.503 9.910 1.00 0.00 O +ATOM 547 CB THR A 46 -13.808 21.336 11.859 1.00 0.00 C +ATOM 548 OG1 THR A 46 -14.835 21.567 12.813 1.00 0.00 O +ATOM 549 CG2 THR A 46 -14.196 21.962 10.522 1.00 0.00 C +ATOM 550 H THR A 46 -12.656 19.696 9.750 1.00 0.00 H +ATOM 551 HA THR A 46 -13.385 19.363 12.606 1.00 0.00 H +ATOM 552 HB THR A 46 -12.885 21.777 12.204 1.00 0.00 H +ATOM 553 HG1 THR A 46 -14.449 22.036 13.557 1.00 0.00 H +ATOM 554 HG21 THR A 46 -13.640 22.875 10.376 1.00 0.00 H +ATOM 555 HG22 THR A 46 -15.254 22.177 10.519 1.00 0.00 H +ATOM 556 HG23 THR A 46 -13.968 21.270 9.723 1.00 0.00 H +ATOM 557 N ARG A 47 -15.565 18.386 11.765 1.00 0.00 N +ATOM 558 CA ARG A 47 -16.797 17.766 11.201 1.00 0.00 C +ATOM 559 C ARG A 47 -17.994 18.689 11.441 1.00 0.00 C +ATOM 560 O ARG A 47 -18.316 19.023 12.564 1.00 0.00 O +ATOM 561 CB ARG A 47 -16.967 16.451 11.966 1.00 0.00 C +ATOM 562 CG ARG A 47 -18.300 15.805 11.584 1.00 0.00 C +ATOM 563 CD ARG A 47 -19.253 15.855 12.781 1.00 0.00 C +ATOM 564 NE ARG A 47 -18.785 14.773 13.691 1.00 0.00 N +ATOM 565 CZ ARG A 47 -18.833 13.528 13.303 1.00 0.00 C +ATOM 566 NH1 ARG A 47 -19.970 12.888 13.304 1.00 0.00 N +ATOM 567 NH2 ARG A 47 -17.744 12.924 12.914 1.00 0.00 N +ATOM 568 H ARG A 47 -15.279 18.170 12.677 1.00 0.00 H +ATOM 569 HA ARG A 47 -16.673 17.570 10.146 1.00 0.00 H +ATOM 570 HB2 ARG A 47 -16.156 15.782 11.715 1.00 0.00 H +ATOM 571 HB3 ARG A 47 -16.956 16.649 13.027 1.00 0.00 H +ATOM 572 HG2 ARG A 47 -18.735 16.341 10.753 1.00 0.00 H +ATOM 573 HG3 ARG A 47 -18.133 14.776 11.302 1.00 0.00 H +ATOM 574 HD2 ARG A 47 -19.188 16.817 13.271 1.00 0.00 H +ATOM 575 HD3 ARG A 47 -20.265 15.659 12.464 1.00 0.00 H +ATOM 576 HE ARG A 47 -18.442 14.996 14.581 1.00 0.00 H +ATOM 577 HH11 ARG A 47 -20.804 13.351 13.602 1.00 0.00 H +ATOM 578 HH12 ARG A 47 -20.006 11.934 13.007 1.00 0.00 H +ATOM 579 HH21 ARG A 47 -16.873 13.415 12.913 1.00 0.00 H +ATOM 580 HH22 ARG A 47 -17.780 11.971 12.615 1.00 0.00 H +ATOM 581 N VAL A 48 -18.649 19.112 10.396 1.00 0.00 N +ATOM 582 CA VAL A 48 -19.820 20.022 10.570 1.00 0.00 C +ATOM 583 C VAL A 48 -21.033 19.463 9.823 1.00 0.00 C +ATOM 584 O VAL A 48 -20.944 19.071 8.677 1.00 0.00 O +ATOM 585 CB VAL A 48 -19.389 21.374 9.981 1.00 0.00 C +ATOM 586 CG1 VAL A 48 -18.754 22.225 11.082 1.00 0.00 C +ATOM 587 CG2 VAL A 48 -18.369 21.167 8.854 1.00 0.00 C +ATOM 588 H VAL A 48 -18.372 18.836 9.496 1.00 0.00 H +ATOM 589 HA VAL A 48 -20.048 20.136 11.617 1.00 0.00 H +ATOM 590 HB VAL A 48 -20.258 21.886 9.592 1.00 0.00 H +ATOM 591 HG11 VAL A 48 -18.065 21.619 11.652 1.00 0.00 H +ATOM 592 HG12 VAL A 48 -19.526 22.605 11.734 1.00 0.00 H +ATOM 593 HG13 VAL A 48 -18.221 23.052 10.635 1.00 0.00 H +ATOM 594 HG21 VAL A 48 -18.257 22.085 8.295 1.00 0.00 H +ATOM 595 HG22 VAL A 48 -18.713 20.384 8.196 1.00 0.00 H +ATOM 596 HG23 VAL A 48 -17.416 20.887 9.278 1.00 0.00 H +ATOM 597 N GLN A 49 -22.167 19.412 10.470 1.00 0.00 N +ATOM 598 CA GLN A 49 -23.383 18.865 9.802 1.00 0.00 C +ATOM 599 C GLN A 49 -24.269 19.996 9.272 1.00 0.00 C +ATOM 600 O GLN A 49 -24.848 20.751 10.028 1.00 0.00 O +ATOM 601 CB GLN A 49 -24.114 18.084 10.894 1.00 0.00 C +ATOM 602 CG GLN A 49 -24.195 16.608 10.501 1.00 0.00 C +ATOM 603 CD GLN A 49 -25.175 15.886 11.429 1.00 0.00 C +ATOM 604 OE1 GLN A 49 -25.488 16.373 12.497 1.00 0.00 O +ATOM 605 NE2 GLN A 49 -25.676 14.738 11.062 1.00 0.00 N +ATOM 606 H GLN A 49 -22.216 19.726 11.397 1.00 0.00 H +ATOM 607 HA GLN A 49 -23.104 18.201 9.001 1.00 0.00 H +ATOM 608 HB2 GLN A 49 -23.577 18.181 11.826 1.00 0.00 H +ATOM 609 HB3 GLN A 49 -25.113 18.478 11.010 1.00 0.00 H +ATOM 610 HG2 GLN A 49 -24.537 16.525 9.480 1.00 0.00 H +ATOM 611 HG3 GLN A 49 -23.219 16.157 10.592 1.00 0.00 H +ATOM 612 HE21 GLN A 49 -25.424 14.346 10.201 1.00 0.00 H +ATOM 613 HE22 GLN A 49 -26.305 14.269 11.650 1.00 0.00 H +ATOM 614 N LYS A 50 -24.389 20.109 7.977 1.00 0.00 N +ATOM 615 CA LYS A 50 -25.249 21.179 7.395 1.00 0.00 C +ATOM 616 C LYS A 50 -25.786 20.734 6.029 1.00 0.00 C +ATOM 617 O LYS A 50 -25.571 19.618 5.600 1.00 0.00 O +ATOM 618 CB LYS A 50 -24.338 22.400 7.249 1.00 0.00 C +ATOM 619 CG LYS A 50 -24.414 23.252 8.517 1.00 0.00 C +ATOM 620 CD LYS A 50 -25.158 24.553 8.212 1.00 0.00 C +ATOM 621 CE LYS A 50 -26.653 24.359 8.473 1.00 0.00 C +ATOM 622 NZ LYS A 50 -26.982 25.322 9.560 1.00 0.00 N +ATOM 623 H LYS A 50 -23.921 19.482 7.386 1.00 0.00 H +ATOM 624 HA LYS A 50 -26.065 21.408 8.062 1.00 0.00 H +ATOM 625 HB2 LYS A 50 -23.322 22.074 7.094 1.00 0.00 H +ATOM 626 HB3 LYS A 50 -24.660 22.989 6.405 1.00 0.00 H +ATOM 627 HG2 LYS A 50 -24.940 22.707 9.286 1.00 0.00 H +ATOM 628 HG3 LYS A 50 -23.415 23.482 8.857 1.00 0.00 H +ATOM 629 HD2 LYS A 50 -24.780 25.341 8.848 1.00 0.00 H +ATOM 630 HD3 LYS A 50 -25.007 24.821 7.178 1.00 0.00 H +ATOM 631 HE2 LYS A 50 -27.222 24.586 7.581 1.00 0.00 H +ATOM 632 HE3 LYS A 50 -26.851 23.350 8.800 1.00 0.00 H +ATOM 633 HZ1 LYS A 50 -27.995 25.257 9.787 1.00 0.00 H +ATOM 634 HZ2 LYS A 50 -26.757 26.288 9.247 1.00 0.00 H +ATOM 635 HZ3 LYS A 50 -26.425 25.092 10.407 1.00 0.00 H +ATOM 636 N TYR A 51 -26.492 21.597 5.351 1.00 0.00 N +ATOM 637 CA TYR A 51 -27.058 21.230 4.017 1.00 0.00 C +ATOM 638 C TYR A 51 -27.785 19.885 4.094 1.00 0.00 C +ATOM 639 O TYR A 51 -28.014 19.234 3.095 1.00 0.00 O +ATOM 640 CB TYR A 51 -25.858 21.155 3.073 1.00 0.00 C +ATOM 641 CG TYR A 51 -25.198 22.506 3.025 1.00 0.00 C +ATOM 642 CD1 TYR A 51 -24.312 22.876 4.036 1.00 0.00 C +ATOM 643 CD2 TYR A 51 -25.478 23.389 1.977 1.00 0.00 C +ATOM 644 CE1 TYR A 51 -23.698 24.132 4.004 1.00 0.00 C +ATOM 645 CE2 TYR A 51 -24.866 24.647 1.943 1.00 0.00 C +ATOM 646 CZ TYR A 51 -23.975 25.019 2.956 1.00 0.00 C +ATOM 647 OH TYR A 51 -23.370 26.257 2.923 1.00 0.00 O +ATOM 648 H TYR A 51 -26.656 22.487 5.720 1.00 0.00 H +ATOM 649 HA TYR A 51 -27.736 21.997 3.681 1.00 0.00 H +ATOM 650 HB2 TYR A 51 -25.151 20.421 3.434 1.00 0.00 H +ATOM 651 HB3 TYR A 51 -26.191 20.881 2.084 1.00 0.00 H +ATOM 652 HD1 TYR A 51 -24.104 22.189 4.842 1.00 0.00 H +ATOM 653 HD2 TYR A 51 -26.165 23.100 1.196 1.00 0.00 H +ATOM 654 HE1 TYR A 51 -23.011 24.418 4.787 1.00 0.00 H +ATOM 655 HE2 TYR A 51 -25.083 25.330 1.136 1.00 0.00 H +ATOM 656 HH TYR A 51 -23.234 26.496 2.003 1.00 0.00 H +ATOM 657 N GLY A 52 -28.167 19.474 5.272 1.00 0.00 N +ATOM 658 CA GLY A 52 -28.901 18.185 5.411 1.00 0.00 C +ATOM 659 C GLY A 52 -27.926 17.019 5.597 1.00 0.00 C +ATOM 660 O GLY A 52 -28.338 15.892 5.790 1.00 0.00 O +ATOM 661 H GLY A 52 -27.988 20.022 6.064 1.00 0.00 H +ATOM 662 HA2 GLY A 52 -29.557 18.241 6.268 1.00 0.00 H +ATOM 663 HA3 GLY A 52 -29.490 18.015 4.523 1.00 0.00 H +ATOM 664 N LEU A 53 -26.641 17.257 5.545 1.00 0.00 N +ATOM 665 CA LEU A 53 -25.690 16.119 5.726 1.00 0.00 C +ATOM 666 C LEU A 53 -24.458 16.544 6.528 1.00 0.00 C +ATOM 667 O LEU A 53 -24.405 17.619 7.092 1.00 0.00 O +ATOM 668 CB LEU A 53 -25.285 15.697 4.315 1.00 0.00 C +ATOM 669 CG LEU A 53 -24.753 16.908 3.554 1.00 0.00 C +ATOM 670 CD1 LEU A 53 -23.874 16.435 2.395 1.00 0.00 C +ATOM 671 CD2 LEU A 53 -25.931 17.712 3.008 1.00 0.00 C +ATOM 672 H LEU A 53 -26.307 18.169 5.389 1.00 0.00 H +ATOM 673 HA LEU A 53 -26.186 15.300 6.217 1.00 0.00 H +ATOM 674 HB2 LEU A 53 -24.517 14.940 4.372 1.00 0.00 H +ATOM 675 HB3 LEU A 53 -26.145 15.300 3.798 1.00 0.00 H +ATOM 676 HG LEU A 53 -24.170 17.525 4.221 1.00 0.00 H +ATOM 677 HD11 LEU A 53 -24.166 16.946 1.490 1.00 0.00 H +ATOM 678 HD12 LEU A 53 -23.995 15.370 2.263 1.00 0.00 H +ATOM 679 HD13 LEU A 53 -22.839 16.655 2.615 1.00 0.00 H +ATOM 680 HD21 LEU A 53 -25.880 17.740 1.930 1.00 0.00 H +ATOM 681 HD22 LEU A 53 -25.890 18.717 3.397 1.00 0.00 H +ATOM 682 HD23 LEU A 53 -26.856 17.245 3.314 1.00 0.00 H +ATOM 683 N THR A 54 -23.465 15.697 6.576 1.00 0.00 N +ATOM 684 CA THR A 54 -22.225 16.027 7.333 1.00 0.00 C +ATOM 685 C THR A 54 -21.209 16.684 6.400 1.00 0.00 C +ATOM 686 O THR A 54 -21.218 16.463 5.205 1.00 0.00 O +ATOM 687 CB THR A 54 -21.700 14.682 7.840 1.00 0.00 C +ATOM 688 OG1 THR A 54 -22.794 13.878 8.260 1.00 0.00 O +ATOM 689 CG2 THR A 54 -20.750 14.912 9.016 1.00 0.00 C +ATOM 690 H THR A 54 -23.537 14.840 6.109 1.00 0.00 H +ATOM 691 HA THR A 54 -22.450 16.673 8.166 1.00 0.00 H +ATOM 692 HB THR A 54 -21.169 14.180 7.046 1.00 0.00 H +ATOM 693 HG1 THR A 54 -22.515 13.374 9.029 1.00 0.00 H +ATOM 694 HG21 THR A 54 -20.386 13.961 9.375 1.00 0.00 H +ATOM 695 HG22 THR A 54 -21.278 15.418 9.811 1.00 0.00 H +ATOM 696 HG23 THR A 54 -19.917 15.518 8.693 1.00 0.00 H +ATOM 697 N LEU A 55 -20.340 17.499 6.929 1.00 0.00 N +ATOM 698 CA LEU A 55 -19.338 18.175 6.058 1.00 0.00 C +ATOM 699 C LEU A 55 -17.991 18.283 6.775 1.00 0.00 C +ATOM 700 O LEU A 55 -17.916 18.268 7.988 1.00 0.00 O +ATOM 701 CB LEU A 55 -19.913 19.571 5.796 1.00 0.00 C +ATOM 702 CG LEU A 55 -21.419 19.479 5.536 1.00 0.00 C +ATOM 703 CD1 LEU A 55 -22.021 20.881 5.515 1.00 0.00 C +ATOM 704 CD2 LEU A 55 -21.666 18.802 4.189 1.00 0.00 C +ATOM 705 H LEU A 55 -20.352 17.673 7.893 1.00 0.00 H +ATOM 706 HA LEU A 55 -19.228 17.643 5.127 1.00 0.00 H +ATOM 707 HB2 LEU A 55 -19.738 20.195 6.659 1.00 0.00 H +ATOM 708 HB3 LEU A 55 -19.427 20.004 4.935 1.00 0.00 H +ATOM 709 HG LEU A 55 -21.887 18.905 6.321 1.00 0.00 H +ATOM 710 HD11 LEU A 55 -23.095 20.806 5.449 1.00 0.00 H +ATOM 711 HD12 LEU A 55 -21.642 21.433 4.663 1.00 0.00 H +ATOM 712 HD13 LEU A 55 -21.753 21.396 6.424 1.00 0.00 H +ATOM 713 HD21 LEU A 55 -20.733 18.423 3.800 1.00 0.00 H +ATOM 714 HD22 LEU A 55 -22.081 19.520 3.497 1.00 0.00 H +ATOM 715 HD23 LEU A 55 -22.361 17.985 4.320 1.00 0.00 H +ATOM 716 N LEU A 56 -16.928 18.401 6.031 1.00 0.00 N +ATOM 717 CA LEU A 56 -15.582 18.519 6.659 1.00 0.00 C +ATOM 718 C LEU A 56 -14.933 19.849 6.273 1.00 0.00 C +ATOM 719 O LEU A 56 -15.157 20.370 5.197 1.00 0.00 O +ATOM 720 CB LEU A 56 -14.776 17.349 6.095 1.00 0.00 C +ATOM 721 CG LEU A 56 -14.281 16.479 7.248 1.00 0.00 C +ATOM 722 CD1 LEU A 56 -13.612 15.224 6.702 1.00 0.00 C +ATOM 723 CD2 LEU A 56 -13.256 17.264 8.051 1.00 0.00 C +ATOM 724 H LEU A 56 -17.015 18.416 5.055 1.00 0.00 H +ATOM 725 HA LEU A 56 -15.658 18.431 7.733 1.00 0.00 H +ATOM 726 HB2 LEU A 56 -15.403 16.760 5.440 1.00 0.00 H +ATOM 727 HB3 LEU A 56 -13.930 17.726 5.541 1.00 0.00 H +ATOM 728 HG LEU A 56 -15.110 16.206 7.882 1.00 0.00 H +ATOM 729 HD11 LEU A 56 -13.657 14.443 7.445 1.00 0.00 H +ATOM 730 HD12 LEU A 56 -12.578 15.442 6.470 1.00 0.00 H +ATOM 731 HD13 LEU A 56 -14.123 14.904 5.808 1.00 0.00 H +ATOM 732 HD21 LEU A 56 -13.555 17.291 9.087 1.00 0.00 H +ATOM 733 HD22 LEU A 56 -13.192 18.270 7.664 1.00 0.00 H +ATOM 734 HD23 LEU A 56 -12.291 16.784 7.965 1.00 0.00 H +ATOM 735 N VAL A 57 -14.126 20.402 7.137 1.00 0.00 N +ATOM 736 CA VAL A 57 -13.463 21.698 6.807 1.00 0.00 C +ATOM 737 C VAL A 57 -12.116 21.792 7.516 1.00 0.00 C +ATOM 738 O VAL A 57 -11.861 21.091 8.473 1.00 0.00 O +ATOM 739 CB VAL A 57 -14.405 22.783 7.324 1.00 0.00 C +ATOM 740 CG1 VAL A 57 -14.030 24.125 6.699 1.00 0.00 C +ATOM 741 CG2 VAL A 57 -15.846 22.432 6.954 1.00 0.00 C +ATOM 742 H VAL A 57 -13.951 19.963 8.000 1.00 0.00 H +ATOM 743 HA VAL A 57 -13.336 21.797 5.740 1.00 0.00 H +ATOM 744 HB VAL A 57 -14.313 22.854 8.395 1.00 0.00 H +ATOM 745 HG11 VAL A 57 -14.612 24.910 7.157 1.00 0.00 H +ATOM 746 HG12 VAL A 57 -14.233 24.098 5.639 1.00 0.00 H +ATOM 747 HG13 VAL A 57 -12.979 24.316 6.861 1.00 0.00 H +ATOM 748 HG21 VAL A 57 -16.127 21.508 7.438 1.00 0.00 H +ATOM 749 HG22 VAL A 57 -15.924 22.316 5.884 1.00 0.00 H +ATOM 750 HG23 VAL A 57 -16.504 23.224 7.280 1.00 0.00 H +ATOM 751 N THR A 58 -11.258 22.661 7.065 1.00 0.00 N +ATOM 752 CA THR A 58 -9.933 22.805 7.725 1.00 0.00 C +ATOM 753 C THR A 58 -9.884 24.111 8.513 1.00 0.00 C +ATOM 754 O THR A 58 -10.522 25.084 8.164 1.00 0.00 O +ATOM 755 CB THR A 58 -8.909 22.820 6.589 1.00 0.00 C +ATOM 756 OG1 THR A 58 -9.359 21.978 5.537 1.00 0.00 O +ATOM 757 CG2 THR A 58 -7.563 22.315 7.111 1.00 0.00 C +ATOM 758 H THR A 58 -11.489 23.224 6.298 1.00 0.00 H +ATOM 759 HA THR A 58 -9.746 21.969 8.379 1.00 0.00 H +ATOM 760 HB THR A 58 -8.793 23.827 6.222 1.00 0.00 H +ATOM 761 HG1 THR A 58 -10.165 22.356 5.178 1.00 0.00 H +ATOM 762 HG21 THR A 58 -7.584 21.237 7.177 1.00 0.00 H +ATOM 763 HG22 THR A 58 -7.376 22.732 8.090 1.00 0.00 H +ATOM 764 HG23 THR A 58 -6.777 22.619 6.435 1.00 0.00 H +ATOM 765 N THR A 59 -9.136 24.136 9.576 1.00 0.00 N +ATOM 766 CA THR A 59 -9.051 25.374 10.394 1.00 0.00 C +ATOM 767 C THR A 59 -7.703 26.064 10.165 1.00 0.00 C +ATOM 768 O THR A 59 -7.291 26.915 10.929 1.00 0.00 O +ATOM 769 CB THR A 59 -9.193 24.894 11.838 1.00 0.00 C +ATOM 770 OG1 THR A 59 -7.993 24.251 12.245 1.00 0.00 O +ATOM 771 CG2 THR A 59 -10.362 23.908 11.923 1.00 0.00 C +ATOM 772 H THR A 59 -8.635 23.337 9.842 1.00 0.00 H +ATOM 773 HA THR A 59 -9.862 26.042 10.149 1.00 0.00 H +ATOM 774 HB THR A 59 -9.391 25.736 12.482 1.00 0.00 H +ATOM 775 HG1 THR A 59 -7.923 24.330 13.199 1.00 0.00 H +ATOM 776 HG21 THR A 59 -10.525 23.627 12.952 1.00 0.00 H +ATOM 777 HG22 THR A 59 -10.132 23.026 11.341 1.00 0.00 H +ATOM 778 HG23 THR A 59 -11.255 24.373 11.530 1.00 0.00 H +ATOM 779 N ASP A 60 -7.020 25.712 9.108 1.00 0.00 N +ATOM 780 CA ASP A 60 -5.707 26.355 8.818 1.00 0.00 C +ATOM 781 C ASP A 60 -5.879 27.875 8.777 1.00 0.00 C +ATOM 782 O ASP A 60 -6.381 28.424 7.818 1.00 0.00 O +ATOM 783 CB ASP A 60 -5.302 25.822 7.443 1.00 0.00 C +ATOM 784 CG ASP A 60 -3.887 26.297 7.108 1.00 0.00 C +ATOM 785 OD1 ASP A 60 -3.734 27.466 6.796 1.00 0.00 O +ATOM 786 OD2 ASP A 60 -2.981 25.483 7.168 1.00 0.00 O +ATOM 787 H ASP A 60 -7.377 25.031 8.500 1.00 0.00 H +ATOM 788 HA ASP A 60 -4.974 26.075 9.555 1.00 0.00 H +ATOM 789 HB2 ASP A 60 -5.327 24.742 7.455 1.00 0.00 H +ATOM 790 HB3 ASP A 60 -5.989 26.191 6.697 1.00 0.00 H +ATOM 791 N LEU A 61 -5.478 28.557 9.813 1.00 0.00 N +ATOM 792 CA LEU A 61 -5.638 30.038 9.834 1.00 0.00 C +ATOM 793 C LEU A 61 -4.872 30.676 8.678 1.00 0.00 C +ATOM 794 O LEU A 61 -5.321 31.633 8.080 1.00 0.00 O +ATOM 795 CB LEU A 61 -5.067 30.483 11.179 1.00 0.00 C +ATOM 796 CG LEU A 61 -6.172 30.440 12.236 1.00 0.00 C +ATOM 797 CD1 LEU A 61 -5.560 30.137 13.604 1.00 0.00 C +ATOM 798 CD2 LEU A 61 -6.882 31.795 12.286 1.00 0.00 C +ATOM 799 H LEU A 61 -5.080 28.097 10.580 1.00 0.00 H +ATOM 800 HA LEU A 61 -6.680 30.299 9.774 1.00 0.00 H +ATOM 801 HB2 LEU A 61 -4.263 29.820 11.468 1.00 0.00 H +ATOM 802 HB3 LEU A 61 -4.690 31.492 11.096 1.00 0.00 H +ATOM 803 HG LEU A 61 -6.883 29.668 11.981 1.00 0.00 H +ATOM 804 HD11 LEU A 61 -5.349 29.080 13.676 1.00 0.00 H +ATOM 805 HD12 LEU A 61 -6.257 30.418 14.379 1.00 0.00 H +ATOM 806 HD13 LEU A 61 -4.645 30.696 13.721 1.00 0.00 H +ATOM 807 HD21 LEU A 61 -7.417 31.955 11.362 1.00 0.00 H +ATOM 808 HD22 LEU A 61 -6.151 32.580 12.418 1.00 0.00 H +ATOM 809 HD23 LEU A 61 -7.577 31.807 13.112 1.00 0.00 H +ATOM 810 N GLU A 62 -3.723 30.160 8.355 1.00 0.00 N +ATOM 811 CA GLU A 62 -2.947 30.750 7.235 1.00 0.00 C +ATOM 812 C GLU A 62 -3.794 30.749 5.962 1.00 0.00 C +ATOM 813 O GLU A 62 -4.177 31.789 5.455 1.00 0.00 O +ATOM 814 CB GLU A 62 -1.721 29.849 7.075 1.00 0.00 C +ATOM 815 CG GLU A 62 -0.818 29.993 8.302 1.00 0.00 C +ATOM 816 CD GLU A 62 0.510 30.628 7.887 1.00 0.00 C +ATOM 817 OE1 GLU A 62 0.479 31.545 7.082 1.00 0.00 O +ATOM 818 OE2 GLU A 62 1.535 30.188 8.381 1.00 0.00 O +ATOM 819 H GLU A 62 -3.372 29.392 8.845 1.00 0.00 H +ATOM 820 HA GLU A 62 -2.644 31.749 7.484 1.00 0.00 H +ATOM 821 HB2 GLU A 62 -2.040 28.821 6.980 1.00 0.00 H +ATOM 822 HB3 GLU A 62 -1.174 30.140 6.191 1.00 0.00 H +ATOM 823 HG2 GLU A 62 -1.305 30.620 9.036 1.00 0.00 H +ATOM 824 HG3 GLU A 62 -0.631 29.018 8.728 1.00 0.00 H +ATOM 825 N LEU A 63 -4.113 29.594 5.449 1.00 0.00 N +ATOM 826 CA LEU A 63 -4.954 29.551 4.224 1.00 0.00 C +ATOM 827 C LEU A 63 -6.286 30.224 4.531 1.00 0.00 C +ATOM 828 O LEU A 63 -6.846 30.924 3.711 1.00 0.00 O +ATOM 829 CB LEU A 63 -5.150 28.069 3.904 1.00 0.00 C +ATOM 830 CG LEU A 63 -6.292 27.911 2.896 1.00 0.00 C +ATOM 831 CD1 LEU A 63 -5.746 27.352 1.579 1.00 0.00 C +ATOM 832 CD2 LEU A 63 -7.337 26.951 3.468 1.00 0.00 C +ATOM 833 H LEU A 63 -3.817 28.764 5.877 1.00 0.00 H +ATOM 834 HA LEU A 63 -4.457 30.049 3.405 1.00 0.00 H +ATOM 835 HB2 LEU A 63 -4.239 27.668 3.483 1.00 0.00 H +ATOM 836 HB3 LEU A 63 -5.394 27.534 4.810 1.00 0.00 H +ATOM 837 HG LEU A 63 -6.747 28.872 2.713 1.00 0.00 H +ATOM 838 HD11 LEU A 63 -6.459 27.534 0.786 1.00 0.00 H +ATOM 839 HD12 LEU A 63 -5.583 26.290 1.680 1.00 0.00 H +ATOM 840 HD13 LEU A 63 -4.812 27.839 1.342 1.00 0.00 H +ATOM 841 HD21 LEU A 63 -7.256 26.931 4.545 1.00 0.00 H +ATOM 842 HD22 LEU A 63 -7.168 25.959 3.076 1.00 0.00 H +ATOM 843 HD23 LEU A 63 -8.324 27.286 3.188 1.00 0.00 H +ATOM 844 N ILE A 64 -6.789 30.035 5.721 1.00 0.00 N +ATOM 845 CA ILE A 64 -8.066 30.682 6.086 1.00 0.00 C +ATOM 846 C ILE A 64 -7.895 32.192 5.978 1.00 0.00 C +ATOM 847 O ILE A 64 -8.706 32.873 5.397 1.00 0.00 O +ATOM 848 CB ILE A 64 -8.341 30.266 7.534 1.00 0.00 C +ATOM 849 CG1 ILE A 64 -9.013 28.893 7.550 1.00 0.00 C +ATOM 850 CG2 ILE A 64 -9.270 31.285 8.203 1.00 0.00 C +ATOM 851 CD1 ILE A 64 -9.366 28.520 8.991 1.00 0.00 C +ATOM 852 H ILE A 64 -6.319 29.485 6.373 1.00 0.00 H +ATOM 853 HA ILE A 64 -8.854 30.338 5.443 1.00 0.00 H +ATOM 854 HB ILE A 64 -7.410 30.220 8.077 1.00 0.00 H +ATOM 855 HG12 ILE A 64 -9.915 28.927 6.955 1.00 0.00 H +ATOM 856 HG13 ILE A 64 -8.340 28.154 7.143 1.00 0.00 H +ATOM 857 HG21 ILE A 64 -9.789 30.815 9.025 1.00 0.00 H +ATOM 858 HG22 ILE A 64 -9.989 31.643 7.481 1.00 0.00 H +ATOM 859 HG23 ILE A 64 -8.687 32.115 8.573 1.00 0.00 H +ATOM 860 HD11 ILE A 64 -10.386 28.807 9.198 1.00 0.00 H +ATOM 861 HD12 ILE A 64 -8.702 29.037 9.669 1.00 0.00 H +ATOM 862 HD13 ILE A 64 -9.257 27.456 9.122 1.00 0.00 H +ATOM 863 N LYS A 65 -6.829 32.719 6.517 1.00 0.00 N +ATOM 864 CA LYS A 65 -6.616 34.186 6.420 1.00 0.00 C +ATOM 865 C LYS A 65 -6.823 34.608 4.971 1.00 0.00 C +ATOM 866 O LYS A 65 -7.406 35.635 4.682 1.00 0.00 O +ATOM 867 CB LYS A 65 -5.167 34.414 6.854 1.00 0.00 C +ATOM 868 CG LYS A 65 -4.715 35.808 6.413 1.00 0.00 C +ATOM 869 CD LYS A 65 -3.210 35.954 6.642 1.00 0.00 C +ATOM 870 CE LYS A 65 -2.902 35.810 8.134 1.00 0.00 C +ATOM 871 NZ LYS A 65 -1.416 35.859 8.227 1.00 0.00 N +ATOM 872 H LYS A 65 -6.166 32.151 6.965 1.00 0.00 H +ATOM 873 HA LYS A 65 -7.294 34.714 7.074 1.00 0.00 H +ATOM 874 HB2 LYS A 65 -5.097 34.335 7.929 1.00 0.00 H +ATOM 875 HB3 LYS A 65 -4.532 33.671 6.396 1.00 0.00 H +ATOM 876 HG2 LYS A 65 -4.936 35.942 5.364 1.00 0.00 H +ATOM 877 HG3 LYS A 65 -5.239 36.555 6.990 1.00 0.00 H +ATOM 878 HD2 LYS A 65 -2.686 35.186 6.090 1.00 0.00 H +ATOM 879 HD3 LYS A 65 -2.887 36.926 6.302 1.00 0.00 H +ATOM 880 HE2 LYS A 65 -3.344 36.627 8.688 1.00 0.00 H +ATOM 881 HE3 LYS A 65 -3.264 34.863 8.504 1.00 0.00 H +ATOM 882 HZ1 LYS A 65 -1.139 36.341 9.105 1.00 0.00 H +ATOM 883 HZ2 LYS A 65 -1.036 36.379 7.410 1.00 0.00 H +ATOM 884 HZ3 LYS A 65 -1.036 34.891 8.229 1.00 0.00 H +ATOM 885 N TYR A 66 -6.359 33.802 4.057 1.00 0.00 N +ATOM 886 CA TYR A 66 -6.534 34.126 2.623 1.00 0.00 C +ATOM 887 C TYR A 66 -8.025 34.043 2.264 1.00 0.00 C +ATOM 888 O TYR A 66 -8.608 34.978 1.751 1.00 0.00 O +ATOM 889 CB TYR A 66 -5.686 33.069 1.886 1.00 0.00 C +ATOM 890 CG TYR A 66 -6.438 32.468 0.717 1.00 0.00 C +ATOM 891 CD1 TYR A 66 -7.032 33.297 -0.241 1.00 0.00 C +ATOM 892 CD2 TYR A 66 -6.534 31.076 0.594 1.00 0.00 C +ATOM 893 CE1 TYR A 66 -7.723 32.735 -1.321 1.00 0.00 C +ATOM 894 CE2 TYR A 66 -7.223 30.515 -0.486 1.00 0.00 C +ATOM 895 CZ TYR A 66 -7.819 31.344 -1.444 1.00 0.00 C +ATOM 896 OH TYR A 66 -8.497 30.790 -2.510 1.00 0.00 O +ATOM 897 H TYR A 66 -5.906 32.974 4.318 1.00 0.00 H +ATOM 898 HA TYR A 66 -6.152 35.108 2.422 1.00 0.00 H +ATOM 899 HB2 TYR A 66 -4.782 33.534 1.521 1.00 0.00 H +ATOM 900 HB3 TYR A 66 -5.423 32.284 2.580 1.00 0.00 H +ATOM 901 HD1 TYR A 66 -6.959 34.371 -0.147 1.00 0.00 H +ATOM 902 HD2 TYR A 66 -6.075 30.436 1.333 1.00 0.00 H +ATOM 903 HE1 TYR A 66 -8.184 33.374 -2.058 1.00 0.00 H +ATOM 904 HE2 TYR A 66 -7.296 29.441 -0.581 1.00 0.00 H +ATOM 905 HH TYR A 66 -8.084 29.949 -2.719 1.00 0.00 H +ATOM 906 N LEU A 67 -8.637 32.923 2.531 1.00 0.00 N +ATOM 907 CA LEU A 67 -10.079 32.760 2.211 1.00 0.00 C +ATOM 908 C LEU A 67 -10.942 33.670 3.093 1.00 0.00 C +ATOM 909 O LEU A 67 -12.036 34.048 2.726 1.00 0.00 O +ATOM 910 CB LEU A 67 -10.382 31.289 2.498 1.00 0.00 C +ATOM 911 CG LEU A 67 -10.140 30.464 1.233 1.00 0.00 C +ATOM 912 CD1 LEU A 67 -10.325 28.978 1.546 1.00 0.00 C +ATOM 913 CD2 LEU A 67 -11.140 30.883 0.154 1.00 0.00 C +ATOM 914 H LEU A 67 -8.146 32.186 2.938 1.00 0.00 H +ATOM 915 HA LEU A 67 -10.249 32.969 1.173 1.00 0.00 H +ATOM 916 HB2 LEU A 67 -9.736 30.936 3.289 1.00 0.00 H +ATOM 917 HB3 LEU A 67 -11.413 31.186 2.800 1.00 0.00 H +ATOM 918 HG LEU A 67 -9.133 30.635 0.879 1.00 0.00 H +ATOM 919 HD11 LEU A 67 -11.347 28.693 1.346 1.00 0.00 H +ATOM 920 HD12 LEU A 67 -10.098 28.798 2.586 1.00 0.00 H +ATOM 921 HD13 LEU A 67 -9.660 28.394 0.926 1.00 0.00 H +ATOM 922 HD21 LEU A 67 -10.859 31.848 -0.243 1.00 0.00 H +ATOM 923 HD22 LEU A 67 -12.129 30.945 0.584 1.00 0.00 H +ATOM 924 HD23 LEU A 67 -11.139 30.153 -0.642 1.00 0.00 H +ATOM 925 N ASN A 68 -10.461 34.022 4.255 1.00 0.00 N +ATOM 926 CA ASN A 68 -11.249 34.898 5.157 1.00 0.00 C +ATOM 927 C ASN A 68 -11.458 36.252 4.492 1.00 0.00 C +ATOM 928 O ASN A 68 -12.566 36.734 4.366 1.00 0.00 O +ATOM 929 CB ASN A 68 -10.396 35.047 6.420 1.00 0.00 C +ATOM 930 CG ASN A 68 -11.301 35.232 7.637 1.00 0.00 C +ATOM 931 OD1 ASN A 68 -12.139 36.110 7.661 1.00 0.00 O +ATOM 932 ND2 ASN A 68 -11.161 34.431 8.659 1.00 0.00 N +ATOM 933 H ASN A 68 -9.583 33.709 4.535 1.00 0.00 H +ATOM 934 HA ASN A 68 -12.189 34.439 5.394 1.00 0.00 H +ATOM 935 HB2 ASN A 68 -9.798 34.161 6.554 1.00 0.00 H +ATOM 936 HB3 ASN A 68 -9.749 35.905 6.319 1.00 0.00 H +ATOM 937 HD21 ASN A 68 -10.484 33.723 8.637 1.00 0.00 H +ATOM 938 HD22 ASN A 68 -11.730 34.539 9.447 1.00 0.00 H +ATOM 939 N ASN A 69 -10.396 36.864 4.052 1.00 0.00 N +ATOM 940 CA ASN A 69 -10.528 38.178 3.382 1.00 0.00 C +ATOM 941 C ASN A 69 -11.410 38.019 2.147 1.00 0.00 C +ATOM 942 O ASN A 69 -12.309 38.798 1.904 1.00 0.00 O +ATOM 943 CB ASN A 69 -9.105 38.576 2.991 1.00 0.00 C +ATOM 944 CG ASN A 69 -9.154 39.701 1.956 1.00 0.00 C +ATOM 945 OD1 ASN A 69 -9.733 40.741 2.198 1.00 0.00 O +ATOM 946 ND2 ASN A 69 -8.566 39.535 0.803 1.00 0.00 N +ATOM 947 H ASN A 69 -9.515 36.454 4.155 1.00 0.00 H +ATOM 948 HA ASN A 69 -10.947 38.899 4.058 1.00 0.00 H +ATOM 949 HB2 ASN A 69 -8.573 38.916 3.868 1.00 0.00 H +ATOM 950 HB3 ASN A 69 -8.595 37.723 2.569 1.00 0.00 H +ATOM 951 HD21 ASN A 69 -8.098 38.696 0.608 1.00 0.00 H +ATOM 952 HD22 ASN A 69 -8.593 40.249 0.132 1.00 0.00 H +ATOM 953 N VAL A 70 -11.165 37.000 1.371 1.00 0.00 N +ATOM 954 CA VAL A 70 -11.990 36.773 0.163 1.00 0.00 C +ATOM 955 C VAL A 70 -13.434 36.476 0.574 1.00 0.00 C +ATOM 956 O VAL A 70 -14.371 36.991 -0.002 1.00 0.00 O +ATOM 957 CB VAL A 70 -11.359 35.567 -0.530 1.00 0.00 C +ATOM 958 CG1 VAL A 70 -12.340 34.996 -1.555 1.00 0.00 C +ATOM 959 CG2 VAL A 70 -10.078 36.010 -1.242 1.00 0.00 C +ATOM 960 H VAL A 70 -10.443 36.381 1.590 1.00 0.00 H +ATOM 961 HA VAL A 70 -11.947 37.631 -0.479 1.00 0.00 H +ATOM 962 HB VAL A 70 -11.124 34.811 0.205 1.00 0.00 H +ATOM 963 HG11 VAL A 70 -13.259 34.720 -1.059 1.00 0.00 H +ATOM 964 HG12 VAL A 70 -11.906 34.124 -2.021 1.00 0.00 H +ATOM 965 HG13 VAL A 70 -12.548 35.741 -2.309 1.00 0.00 H +ATOM 966 HG21 VAL A 70 -9.223 35.573 -0.748 1.00 0.00 H +ATOM 967 HG22 VAL A 70 -10.001 37.088 -1.209 1.00 0.00 H +ATOM 968 HG23 VAL A 70 -10.107 35.683 -2.270 1.00 0.00 H +ATOM 969 N VAL A 71 -13.623 35.659 1.579 1.00 0.00 N +ATOM 970 CA VAL A 71 -15.004 35.351 2.029 1.00 0.00 C +ATOM 971 C VAL A 71 -15.706 36.655 2.419 1.00 0.00 C +ATOM 972 O VAL A 71 -16.875 36.847 2.147 1.00 0.00 O +ATOM 973 CB VAL A 71 -14.839 34.408 3.232 1.00 0.00 C +ATOM 974 CG1 VAL A 71 -16.000 34.593 4.216 1.00 0.00 C +ATOM 975 CG2 VAL A 71 -14.829 32.957 2.740 1.00 0.00 C +ATOM 976 H VAL A 71 -12.862 35.260 2.040 1.00 0.00 H +ATOM 977 HA VAL A 71 -15.543 34.853 1.243 1.00 0.00 H +ATOM 978 HB VAL A 71 -13.907 34.626 3.733 1.00 0.00 H +ATOM 979 HG11 VAL A 71 -16.061 33.733 4.866 1.00 0.00 H +ATOM 980 HG12 VAL A 71 -16.924 34.696 3.667 1.00 0.00 H +ATOM 981 HG13 VAL A 71 -15.832 35.481 4.808 1.00 0.00 H +ATOM 982 HG21 VAL A 71 -14.043 32.828 2.010 1.00 0.00 H +ATOM 983 HG22 VAL A 71 -15.782 32.724 2.286 1.00 0.00 H +ATOM 984 HG23 VAL A 71 -14.658 32.293 3.575 1.00 0.00 H +ATOM 985 N GLU A 72 -14.996 37.562 3.037 1.00 0.00 N +ATOM 986 CA GLU A 72 -15.621 38.852 3.416 1.00 0.00 C +ATOM 987 C GLU A 72 -16.078 39.563 2.146 1.00 0.00 C +ATOM 988 O GLU A 72 -17.227 39.937 1.998 1.00 0.00 O +ATOM 989 CB GLU A 72 -14.514 39.644 4.115 1.00 0.00 C +ATOM 990 CG GLU A 72 -15.139 40.682 5.049 1.00 0.00 C +ATOM 991 CD GLU A 72 -15.018 40.205 6.497 1.00 0.00 C +ATOM 992 OE1 GLU A 72 -13.957 39.720 6.853 1.00 0.00 O +ATOM 993 OE2 GLU A 72 -15.988 40.333 7.225 1.00 0.00 O +ATOM 994 H GLU A 72 -14.055 37.401 3.236 1.00 0.00 H +ATOM 995 HA GLU A 72 -16.444 38.687 4.085 1.00 0.00 H +ATOM 996 HB2 GLU A 72 -13.897 38.967 4.689 1.00 0.00 H +ATOM 997 HB3 GLU A 72 -13.908 40.145 3.376 1.00 0.00 H +ATOM 998 HG2 GLU A 72 -14.622 41.625 4.935 1.00 0.00 H +ATOM 999 HG3 GLU A 72 -16.181 40.811 4.800 1.00 0.00 H +ATOM 1000 N GLN A 73 -15.183 39.721 1.211 1.00 0.00 N +ATOM 1001 CA GLN A 73 -15.554 40.374 -0.071 1.00 0.00 C +ATOM 1002 C GLN A 73 -16.713 39.595 -0.700 1.00 0.00 C +ATOM 1003 O GLN A 73 -17.689 40.162 -1.155 1.00 0.00 O +ATOM 1004 CB GLN A 73 -14.295 40.280 -0.935 1.00 0.00 C +ATOM 1005 CG GLN A 73 -13.348 41.437 -0.602 1.00 0.00 C +ATOM 1006 CD GLN A 73 -13.235 41.596 0.916 1.00 0.00 C +ATOM 1007 OE1 GLN A 73 -12.311 41.095 1.523 1.00 0.00 O +ATOM 1008 NE2 GLN A 73 -14.142 42.281 1.558 1.00 0.00 N +ATOM 1009 H GLN A 73 -14.271 39.387 1.347 1.00 0.00 H +ATOM 1010 HA GLN A 73 -15.827 41.405 0.088 1.00 0.00 H +ATOM 1011 HB2 GLN A 73 -13.797 39.341 -0.742 1.00 0.00 H +ATOM 1012 HB3 GLN A 73 -14.569 40.334 -1.974 1.00 0.00 H +ATOM 1013 HG2 GLN A 73 -12.370 41.229 -1.015 1.00 0.00 H +ATOM 1014 HG3 GLN A 73 -13.732 42.350 -1.031 1.00 0.00 H +ATOM 1015 HE21 GLN A 73 -14.886 42.688 1.068 1.00 0.00 H +ATOM 1016 HE22 GLN A 73 -14.077 42.390 2.530 1.00 0.00 H +ATOM 1017 N LEU A 74 -16.618 38.291 -0.705 1.00 0.00 N +ATOM 1018 CA LEU A 74 -17.712 37.465 -1.272 1.00 0.00 C +ATOM 1019 C LEU A 74 -19.006 37.765 -0.519 1.00 0.00 C +ATOM 1020 O LEU A 74 -20.066 37.886 -1.100 1.00 0.00 O +ATOM 1021 CB LEU A 74 -17.276 36.018 -1.042 1.00 0.00 C +ATOM 1022 CG LEU A 74 -17.931 35.113 -2.086 1.00 0.00 C +ATOM 1023 CD1 LEU A 74 -17.180 35.238 -3.413 1.00 0.00 C +ATOM 1024 CD2 LEU A 74 -17.877 33.661 -1.605 1.00 0.00 C +ATOM 1025 H LEU A 74 -15.833 37.857 -0.322 1.00 0.00 H +ATOM 1026 HA LEU A 74 -17.826 37.657 -2.321 1.00 0.00 H +ATOM 1027 HB2 LEU A 74 -16.201 35.948 -1.127 1.00 0.00 H +ATOM 1028 HB3 LEU A 74 -17.580 35.703 -0.055 1.00 0.00 H +ATOM 1029 HG LEU A 74 -18.960 35.411 -2.226 1.00 0.00 H +ATOM 1030 HD11 LEU A 74 -16.973 34.252 -3.803 1.00 0.00 H +ATOM 1031 HD12 LEU A 74 -16.251 35.764 -3.252 1.00 0.00 H +ATOM 1032 HD13 LEU A 74 -17.786 35.785 -4.119 1.00 0.00 H +ATOM 1033 HD21 LEU A 74 -17.994 33.633 -0.532 1.00 0.00 H +ATOM 1034 HD22 LEU A 74 -16.925 33.228 -1.875 1.00 0.00 H +ATOM 1035 HD23 LEU A 74 -18.673 33.099 -2.070 1.00 0.00 H +ATOM 1036 N LYS A 75 -18.919 37.900 0.777 1.00 0.00 N +ATOM 1037 CA LYS A 75 -20.134 38.209 1.576 1.00 0.00 C +ATOM 1038 C LYS A 75 -20.708 39.552 1.128 1.00 0.00 C +ATOM 1039 O LYS A 75 -21.877 39.830 1.305 1.00 0.00 O +ATOM 1040 CB LYS A 75 -19.648 38.287 3.024 1.00 0.00 C +ATOM 1041 CG LYS A 75 -19.698 36.896 3.657 1.00 0.00 C +ATOM 1042 CD LYS A 75 -18.712 36.831 4.825 1.00 0.00 C +ATOM 1043 CE LYS A 75 -19.408 37.289 6.109 1.00 0.00 C +ATOM 1044 NZ LYS A 75 -19.832 36.031 6.785 1.00 0.00 N +ATOM 1045 H LYS A 75 -18.050 37.808 1.221 1.00 0.00 H +ATOM 1046 HA LYS A 75 -20.868 37.426 1.471 1.00 0.00 H +ATOM 1047 HB2 LYS A 75 -18.633 38.657 3.042 1.00 0.00 H +ATOM 1048 HB3 LYS A 75 -20.286 38.957 3.581 1.00 0.00 H +ATOM 1049 HG2 LYS A 75 -20.698 36.700 4.017 1.00 0.00 H +ATOM 1050 HG3 LYS A 75 -19.429 36.155 2.920 1.00 0.00 H +ATOM 1051 HD2 LYS A 75 -18.363 35.816 4.945 1.00 0.00 H +ATOM 1052 HD3 LYS A 75 -17.872 37.479 4.623 1.00 0.00 H +ATOM 1053 HE2 LYS A 75 -18.719 37.841 6.732 1.00 0.00 H +ATOM 1054 HE3 LYS A 75 -20.272 37.891 5.874 1.00 0.00 H +ATOM 1055 HZ1 LYS A 75 -20.523 35.532 6.191 1.00 0.00 H +ATOM 1056 HZ2 LYS A 75 -20.265 36.261 7.703 1.00 0.00 H +ATOM 1057 HZ3 LYS A 75 -19.003 35.422 6.935 1.00 0.00 H +ATOM 1058 N ASP A 76 -19.891 40.387 0.542 1.00 0.00 N +ATOM 1059 CA ASP A 76 -20.390 41.704 0.079 1.00 0.00 C +ATOM 1060 C ASP A 76 -19.322 42.436 -0.743 1.00 0.00 C +ATOM 1061 O ASP A 76 -18.759 43.420 -0.306 1.00 0.00 O +ATOM 1062 CB ASP A 76 -20.711 42.478 1.357 1.00 0.00 C +ATOM 1063 CG ASP A 76 -21.437 43.776 0.999 1.00 0.00 C +ATOM 1064 OD1 ASP A 76 -20.763 44.769 0.780 1.00 0.00 O +ATOM 1065 OD2 ASP A 76 -22.656 43.754 0.950 1.00 0.00 O +ATOM 1066 H ASP A 76 -18.957 40.145 0.405 1.00 0.00 H +ATOM 1067 HA ASP A 76 -21.280 41.571 -0.502 1.00 0.00 H +ATOM 1068 HB2 ASP A 76 -21.341 41.875 1.994 1.00 0.00 H +ATOM 1069 HB3 ASP A 76 -19.794 42.713 1.876 1.00 0.00 H +ATOM 1070 N TRP A 77 -19.054 41.980 -1.939 1.00 0.00 N +ATOM 1071 CA TRP A 77 -18.043 42.668 -2.789 1.00 0.00 C +ATOM 1072 C TRP A 77 -18.534 44.081 -3.077 1.00 0.00 C +ATOM 1073 O TRP A 77 -17.952 45.061 -2.659 1.00 0.00 O +ATOM 1074 CB TRP A 77 -18.016 41.879 -4.098 1.00 0.00 C +ATOM 1075 CG TRP A 77 -17.145 40.669 -3.981 1.00 0.00 C +ATOM 1076 CD1 TRP A 77 -17.597 39.400 -3.868 1.00 0.00 C +ATOM 1077 CD2 TRP A 77 -15.691 40.585 -3.990 1.00 0.00 C +ATOM 1078 NE1 TRP A 77 -16.514 38.543 -3.802 1.00 0.00 N +ATOM 1079 CE2 TRP A 77 -15.318 39.225 -3.869 1.00 0.00 C +ATOM 1080 CE3 TRP A 77 -14.667 41.546 -4.085 1.00 0.00 C +ATOM 1081 CZ2 TRP A 77 -13.980 38.833 -3.844 1.00 0.00 C +ATOM 1082 CZ3 TRP A 77 -13.319 41.154 -4.060 1.00 0.00 C +ATOM 1083 CH2 TRP A 77 -12.976 39.800 -3.940 1.00 0.00 C +ATOM 1084 H TRP A 77 -19.528 41.199 -2.285 1.00 0.00 H +ATOM 1085 HA TRP A 77 -17.071 42.673 -2.322 1.00 0.00 H +ATOM 1086 HB2 TRP A 77 -19.018 41.573 -4.341 1.00 0.00 H +ATOM 1087 HB3 TRP A 77 -17.639 42.514 -4.884 1.00 0.00 H +ATOM 1088 HD1 TRP A 77 -18.635 39.103 -3.835 1.00 0.00 H +ATOM 1089 HE1 TRP A 77 -16.569 37.569 -3.714 1.00 0.00 H +ATOM 1090 HE3 TRP A 77 -14.919 42.592 -4.179 1.00 0.00 H +ATOM 1091 HZ2 TRP A 77 -13.721 37.789 -3.751 1.00 0.00 H +ATOM 1092 HZ3 TRP A 77 -12.541 41.900 -4.133 1.00 0.00 H +ATOM 1093 HH2 TRP A 77 -11.937 39.505 -3.921 1.00 0.00 H +ATOM 1094 N LEU A 78 -19.621 44.166 -3.793 1.00 0.00 N +ATOM 1095 CA LEU A 78 -20.214 45.492 -4.147 1.00 0.00 C +ATOM 1096 C LEU A 78 -21.231 45.339 -5.288 1.00 0.00 C +ATOM 1097 O LEU A 78 -21.396 46.227 -6.100 1.00 0.00 O +ATOM 1098 CB LEU A 78 -19.041 46.366 -4.609 1.00 0.00 C +ATOM 1099 CG LEU A 78 -18.102 45.550 -5.502 1.00 0.00 C +ATOM 1100 CD1 LEU A 78 -18.003 46.212 -6.876 1.00 0.00 C +ATOM 1101 CD2 LEU A 78 -16.711 45.497 -4.864 1.00 0.00 C +ATOM 1102 H LEU A 78 -20.056 43.339 -4.097 1.00 0.00 H +ATOM 1103 HA LEU A 78 -20.683 45.936 -3.283 1.00 0.00 H +ATOM 1104 HB2 LEU A 78 -19.424 47.207 -5.169 1.00 0.00 H +ATOM 1105 HB3 LEU A 78 -18.498 46.727 -3.750 1.00 0.00 H +ATOM 1106 HG LEU A 78 -18.488 44.547 -5.614 1.00 0.00 H +ATOM 1107 HD11 LEU A 78 -18.411 47.211 -6.825 1.00 0.00 H +ATOM 1108 HD12 LEU A 78 -18.559 45.632 -7.597 1.00 0.00 H +ATOM 1109 HD13 LEU A 78 -16.967 46.263 -7.178 1.00 0.00 H +ATOM 1110 HD21 LEU A 78 -16.599 46.322 -4.176 1.00 0.00 H +ATOM 1111 HD22 LEU A 78 -15.959 45.567 -5.636 1.00 0.00 H +ATOM 1112 HD23 LEU A 78 -16.594 44.565 -4.332 1.00 0.00 H +ATOM 1113 N TYR A 79 -21.918 44.226 -5.361 1.00 0.00 N +ATOM 1114 CA TYR A 79 -22.917 44.045 -6.457 1.00 0.00 C +ATOM 1115 C TYR A 79 -24.239 43.510 -5.900 1.00 0.00 C +ATOM 1116 O TYR A 79 -24.496 43.571 -4.714 1.00 0.00 O +ATOM 1117 CB TYR A 79 -22.291 43.034 -7.425 1.00 0.00 C +ATOM 1118 CG TYR A 79 -21.824 41.805 -6.676 1.00 0.00 C +ATOM 1119 CD1 TYR A 79 -22.746 40.990 -6.005 1.00 0.00 C +ATOM 1120 CD2 TYR A 79 -20.464 41.475 -6.661 1.00 0.00 C +ATOM 1121 CE1 TYR A 79 -22.305 39.851 -5.320 1.00 0.00 C +ATOM 1122 CE2 TYR A 79 -20.024 40.337 -5.977 1.00 0.00 C +ATOM 1123 CZ TYR A 79 -20.944 39.525 -5.306 1.00 0.00 C +ATOM 1124 OH TYR A 79 -20.511 38.401 -4.631 1.00 0.00 O +ATOM 1125 H TYR A 79 -21.781 43.517 -4.700 1.00 0.00 H +ATOM 1126 HA TYR A 79 -23.081 44.981 -6.966 1.00 0.00 H +ATOM 1127 HB2 TYR A 79 -23.025 42.745 -8.163 1.00 0.00 H +ATOM 1128 HB3 TYR A 79 -21.447 43.491 -7.922 1.00 0.00 H +ATOM 1129 HD1 TYR A 79 -23.795 41.237 -6.018 1.00 0.00 H +ATOM 1130 HD2 TYR A 79 -19.753 42.100 -7.177 1.00 0.00 H +ATOM 1131 HE1 TYR A 79 -23.016 39.224 -4.802 1.00 0.00 H +ATOM 1132 HE2 TYR A 79 -18.973 40.087 -5.967 1.00 0.00 H +ATOM 1133 HH TYR A 79 -19.874 37.948 -5.189 1.00 0.00 H +ATOM 1134 N LYS A 80 -25.080 42.988 -6.752 1.00 0.00 N +ATOM 1135 CA LYS A 80 -26.387 42.450 -6.277 1.00 0.00 C +ATOM 1136 C LYS A 80 -27.256 42.034 -7.469 1.00 0.00 C +ATOM 1137 O LYS A 80 -28.427 42.352 -7.534 1.00 0.00 O +ATOM 1138 CB LYS A 80 -27.038 43.609 -5.520 1.00 0.00 C +ATOM 1139 CG LYS A 80 -27.265 43.206 -4.062 1.00 0.00 C +ATOM 1140 CD LYS A 80 -26.791 44.331 -3.141 1.00 0.00 C +ATOM 1141 CE LYS A 80 -27.827 45.458 -3.135 1.00 0.00 C +ATOM 1142 NZ LYS A 80 -28.839 45.041 -2.125 1.00 0.00 N +ATOM 1143 H LYS A 80 -24.852 42.950 -7.704 1.00 0.00 H +ATOM 1144 HA LYS A 80 -26.232 41.616 -5.611 1.00 0.00 H +ATOM 1145 HB2 LYS A 80 -26.389 44.473 -5.559 1.00 0.00 H +ATOM 1146 HB3 LYS A 80 -27.986 43.850 -5.977 1.00 0.00 H +ATOM 1147 HG2 LYS A 80 -28.318 43.025 -3.899 1.00 0.00 H +ATOM 1148 HG3 LYS A 80 -26.707 42.307 -3.846 1.00 0.00 H +ATOM 1149 HD2 LYS A 80 -26.669 43.948 -2.138 1.00 0.00 H +ATOM 1150 HD3 LYS A 80 -25.847 44.715 -3.498 1.00 0.00 H +ATOM 1151 HE2 LYS A 80 -27.364 46.391 -2.845 1.00 0.00 H +ATOM 1152 HE3 LYS A 80 -28.289 45.550 -4.105 1.00 0.00 H +ATOM 1153 HZ1 LYS A 80 -29.102 44.049 -2.285 1.00 0.00 H +ATOM 1154 HZ2 LYS A 80 -29.683 45.644 -2.212 1.00 0.00 H +ATOM 1155 HZ3 LYS A 80 -28.438 45.141 -1.171 1.00 0.00 H +ATOM 1156 N CYS A 81 -26.694 41.325 -8.411 1.00 0.00 N +ATOM 1157 CA CYS A 81 -27.495 40.892 -9.594 1.00 0.00 C +ATOM 1158 C CYS A 81 -26.806 39.723 -10.307 1.00 0.00 C +ATOM 1159 O CYS A 81 -27.235 38.590 -10.215 1.00 0.00 O +ATOM 1160 CB CYS A 81 -27.555 42.120 -10.504 1.00 0.00 C +ATOM 1161 SG CYS A 81 -29.252 42.352 -11.088 1.00 0.00 S +ATOM 1162 H CYS A 81 -25.748 41.077 -8.342 1.00 0.00 H +ATOM 1163 HA CYS A 81 -28.491 40.612 -9.291 1.00 0.00 H +ATOM 1164 HB2 CYS A 81 -27.242 42.993 -9.951 1.00 0.00 H +ATOM 1165 HB3 CYS A 81 -26.900 41.976 -11.350 1.00 0.00 H +ATOM 1166 HG CYS A 81 -29.645 41.485 -11.209 1.00 0.00 H +ATOM 1167 N SER A 82 -25.740 39.986 -11.017 1.00 0.00 N +ATOM 1168 CA SER A 82 -25.029 38.884 -11.731 1.00 0.00 C +ATOM 1169 C SER A 82 -23.761 38.496 -10.961 1.00 0.00 C +ATOM 1170 O SER A 82 -23.822 38.200 -9.788 1.00 0.00 O +ATOM 1171 CB SER A 82 -24.689 39.458 -13.106 1.00 0.00 C +ATOM 1172 OG SER A 82 -25.787 40.227 -13.580 1.00 0.00 O +ATOM 1173 H SER A 82 -25.407 40.905 -11.079 1.00 0.00 H +ATOM 1174 HA SER A 82 -25.679 38.025 -11.836 1.00 0.00 H +ATOM 1175 HB2 SER A 82 -23.820 40.090 -13.031 1.00 0.00 H +ATOM 1176 HB3 SER A 82 -24.481 38.646 -13.792 1.00 0.00 H +ATOM 1177 HG SER A 82 -25.597 41.152 -13.409 1.00 0.00 H +ATOM 1178 N VAL A 83 -22.615 38.484 -11.604 1.00 0.00 N +ATOM 1179 CA VAL A 83 -21.367 38.098 -10.880 1.00 0.00 C +ATOM 1180 C VAL A 83 -21.541 36.674 -10.337 1.00 0.00 C +ATOM 1181 O VAL A 83 -22.373 36.438 -9.488 1.00 0.00 O +ATOM 1182 CB VAL A 83 -21.233 39.152 -9.756 1.00 0.00 C +ATOM 1183 CG1 VAL A 83 -21.425 38.533 -8.364 1.00 0.00 C +ATOM 1184 CG2 VAL A 83 -19.845 39.784 -9.823 1.00 0.00 C +ATOM 1185 H VAL A 83 -22.578 38.718 -12.554 1.00 0.00 H +ATOM 1186 HA VAL A 83 -20.516 38.148 -11.542 1.00 0.00 H +ATOM 1187 HB VAL A 83 -21.977 39.921 -9.904 1.00 0.00 H +ATOM 1188 HG11 VAL A 83 -20.705 37.742 -8.219 1.00 0.00 H +ATOM 1189 HG12 VAL A 83 -22.422 38.133 -8.278 1.00 0.00 H +ATOM 1190 HG13 VAL A 83 -21.279 39.294 -7.613 1.00 0.00 H +ATOM 1191 HG21 VAL A 83 -19.884 40.676 -10.430 1.00 0.00 H +ATOM 1192 HG22 VAL A 83 -19.155 39.081 -10.260 1.00 0.00 H +ATOM 1193 HG23 VAL A 83 -19.517 40.040 -8.826 1.00 0.00 H +ATOM 1194 N GLN A 84 -20.794 35.707 -10.818 1.00 0.00 N +ATOM 1195 CA GLN A 84 -21.015 34.328 -10.286 1.00 0.00 C +ATOM 1196 C GLN A 84 -20.181 33.272 -11.018 1.00 0.00 C +ATOM 1197 O GLN A 84 -20.706 32.275 -11.473 1.00 0.00 O +ATOM 1198 CB GLN A 84 -22.502 34.053 -10.526 1.00 0.00 C +ATOM 1199 CG GLN A 84 -22.912 34.560 -11.913 1.00 0.00 C +ATOM 1200 CD GLN A 84 -24.315 34.052 -12.251 1.00 0.00 C +ATOM 1201 OE1 GLN A 84 -25.286 34.466 -11.648 1.00 0.00 O +ATOM 1202 NE2 GLN A 84 -24.465 33.167 -13.199 1.00 0.00 N +ATOM 1203 H GLN A 84 -20.119 35.880 -11.517 1.00 0.00 H +ATOM 1204 HA GLN A 84 -20.811 34.299 -9.228 1.00 0.00 H +ATOM 1205 HB2 GLN A 84 -22.673 32.992 -10.471 1.00 0.00 H +ATOM 1206 HB3 GLN A 84 -23.093 34.548 -9.773 1.00 0.00 H +ATOM 1207 HG2 GLN A 84 -22.909 35.640 -11.918 1.00 0.00 H +ATOM 1208 HG3 GLN A 84 -22.213 34.195 -12.650 1.00 0.00 H +ATOM 1209 HE21 GLN A 84 -23.682 32.833 -13.685 1.00 0.00 H +ATOM 1210 HE22 GLN A 84 -25.359 32.837 -13.424 1.00 0.00 H +ATOM 1211 N LYS A 85 -18.898 33.449 -11.116 1.00 0.00 N +ATOM 1212 CA LYS A 85 -18.072 32.411 -11.799 1.00 0.00 C +ATOM 1213 C LYS A 85 -16.732 32.268 -11.071 1.00 0.00 C +ATOM 1214 O LYS A 85 -16.163 33.234 -10.614 1.00 0.00 O +ATOM 1215 CB LYS A 85 -17.892 32.915 -13.231 1.00 0.00 C +ATOM 1216 CG LYS A 85 -19.150 32.606 -14.039 1.00 0.00 C +ATOM 1217 CD LYS A 85 -19.242 33.560 -15.230 1.00 0.00 C +ATOM 1218 CE LYS A 85 -20.558 34.336 -15.155 1.00 0.00 C +ATOM 1219 NZ LYS A 85 -20.855 34.728 -16.561 1.00 0.00 N +ATOM 1220 H LYS A 85 -18.475 34.249 -10.730 1.00 0.00 H +ATOM 1221 HA LYS A 85 -18.593 31.467 -11.805 1.00 0.00 H +ATOM 1222 HB2 LYS A 85 -17.723 33.981 -13.220 1.00 0.00 H +ATOM 1223 HB3 LYS A 85 -17.047 32.418 -13.684 1.00 0.00 H +ATOM 1224 HG2 LYS A 85 -19.108 31.587 -14.395 1.00 0.00 H +ATOM 1225 HG3 LYS A 85 -20.020 32.733 -13.411 1.00 0.00 H +ATOM 1226 HD2 LYS A 85 -18.412 34.251 -15.203 1.00 0.00 H +ATOM 1227 HD3 LYS A 85 -19.212 32.993 -16.148 1.00 0.00 H +ATOM 1228 HE2 LYS A 85 -21.343 33.702 -14.763 1.00 0.00 H +ATOM 1229 HE3 LYS A 85 -20.441 35.215 -14.541 1.00 0.00 H +ATOM 1230 HZ1 LYS A 85 -21.879 34.867 -16.674 1.00 0.00 H +ATOM 1231 HZ2 LYS A 85 -20.533 33.978 -17.206 1.00 0.00 H +ATOM 1232 HZ3 LYS A 85 -20.361 35.615 -16.786 1.00 0.00 H +ATOM 1233 N LEU A 86 -16.241 31.067 -10.919 1.00 0.00 N +ATOM 1234 CA LEU A 86 -14.953 30.872 -10.180 1.00 0.00 C +ATOM 1235 C LEU A 86 -14.100 29.796 -10.854 1.00 0.00 C +ATOM 1236 O LEU A 86 -14.606 28.829 -11.386 1.00 0.00 O +ATOM 1237 CB LEU A 86 -15.369 30.389 -8.783 1.00 0.00 C +ATOM 1238 CG LEU A 86 -16.265 31.424 -8.094 1.00 0.00 C +ATOM 1239 CD1 LEU A 86 -17.251 30.714 -7.171 1.00 0.00 C +ATOM 1240 CD2 LEU A 86 -15.406 32.359 -7.252 1.00 0.00 C +ATOM 1241 H LEU A 86 -16.729 30.291 -11.266 1.00 0.00 H +ATOM 1242 HA LEU A 86 -14.400 31.799 -10.108 1.00 0.00 H +ATOM 1243 HB2 LEU A 86 -15.908 29.457 -8.875 1.00 0.00 H +ATOM 1244 HB3 LEU A 86 -14.485 30.230 -8.184 1.00 0.00 H +ATOM 1245 HG LEU A 86 -16.808 31.992 -8.828 1.00 0.00 H +ATOM 1246 HD11 LEU A 86 -17.986 31.421 -6.818 1.00 0.00 H +ATOM 1247 HD12 LEU A 86 -16.717 30.301 -6.331 1.00 0.00 H +ATOM 1248 HD13 LEU A 86 -17.744 29.921 -7.711 1.00 0.00 H +ATOM 1249 HD21 LEU A 86 -15.473 32.064 -6.214 1.00 0.00 H +ATOM 1250 HD22 LEU A 86 -15.765 33.371 -7.363 1.00 0.00 H +ATOM 1251 HD23 LEU A 86 -14.381 32.298 -7.580 1.00 0.00 H +ATOM 1252 N VAL A 87 -12.804 29.951 -10.819 1.00 0.00 N +ATOM 1253 CA VAL A 87 -11.917 28.926 -11.441 1.00 0.00 C +ATOM 1254 C VAL A 87 -10.696 28.679 -10.548 1.00 0.00 C +ATOM 1255 O VAL A 87 -9.893 29.561 -10.318 1.00 0.00 O +ATOM 1256 CB VAL A 87 -11.498 29.520 -12.785 1.00 0.00 C +ATOM 1257 CG1 VAL A 87 -10.310 28.733 -13.342 1.00 0.00 C +ATOM 1258 CG2 VAL A 87 -12.670 29.429 -13.765 1.00 0.00 C +ATOM 1259 H VAL A 87 -12.414 30.737 -10.375 1.00 0.00 H +ATOM 1260 HA VAL A 87 -12.459 28.007 -11.598 1.00 0.00 H +ATOM 1261 HB VAL A 87 -11.215 30.554 -12.651 1.00 0.00 H +ATOM 1262 HG11 VAL A 87 -10.373 27.706 -13.015 1.00 0.00 H +ATOM 1263 HG12 VAL A 87 -9.390 29.169 -12.984 1.00 0.00 H +ATOM 1264 HG13 VAL A 87 -10.330 28.768 -14.421 1.00 0.00 H +ATOM 1265 HG21 VAL A 87 -12.437 28.715 -14.541 1.00 0.00 H +ATOM 1266 HG22 VAL A 87 -12.845 30.398 -14.208 1.00 0.00 H +ATOM 1267 HG23 VAL A 87 -13.557 29.110 -13.237 1.00 0.00 H +ATOM 1268 N VAL A 88 -10.549 27.483 -10.041 1.00 0.00 N +ATOM 1269 CA VAL A 88 -9.380 27.186 -9.165 1.00 0.00 C +ATOM 1270 C VAL A 88 -8.243 26.591 -9.997 1.00 0.00 C +ATOM 1271 O VAL A 88 -8.414 25.599 -10.678 1.00 0.00 O +ATOM 1272 CB VAL A 88 -9.895 26.167 -8.148 1.00 0.00 C +ATOM 1273 CG1 VAL A 88 -8.716 25.579 -7.370 1.00 0.00 C +ATOM 1274 CG2 VAL A 88 -10.850 26.860 -7.173 1.00 0.00 C +ATOM 1275 H VAL A 88 -11.206 26.782 -10.236 1.00 0.00 H +ATOM 1276 HA VAL A 88 -9.051 28.079 -8.658 1.00 0.00 H +ATOM 1277 HB VAL A 88 -10.416 25.374 -8.664 1.00 0.00 H +ATOM 1278 HG11 VAL A 88 -7.791 25.963 -7.774 1.00 0.00 H +ATOM 1279 HG12 VAL A 88 -8.728 24.503 -7.457 1.00 0.00 H +ATOM 1280 HG13 VAL A 88 -8.798 25.858 -6.330 1.00 0.00 H +ATOM 1281 HG21 VAL A 88 -11.562 27.453 -7.727 1.00 0.00 H +ATOM 1282 HG22 VAL A 88 -10.287 27.500 -6.511 1.00 0.00 H +ATOM 1283 HG23 VAL A 88 -11.376 26.115 -6.593 1.00 0.00 H +ATOM 1284 N VAL A 89 -7.086 27.192 -9.956 1.00 0.00 N +ATOM 1285 CA VAL A 89 -5.945 26.660 -10.755 1.00 0.00 C +ATOM 1286 C VAL A 89 -4.896 26.022 -9.842 1.00 0.00 C +ATOM 1287 O VAL A 89 -4.257 26.688 -9.050 1.00 0.00 O +ATOM 1288 CB VAL A 89 -5.361 27.878 -11.468 1.00 0.00 C +ATOM 1289 CG1 VAL A 89 -4.258 27.427 -12.428 1.00 0.00 C +ATOM 1290 CG2 VAL A 89 -6.466 28.585 -12.258 1.00 0.00 C +ATOM 1291 H VAL A 89 -6.968 27.994 -9.406 1.00 0.00 H +ATOM 1292 HA VAL A 89 -6.297 25.944 -11.481 1.00 0.00 H +ATOM 1293 HB VAL A 89 -4.946 28.558 -10.738 1.00 0.00 H +ATOM 1294 HG11 VAL A 89 -3.654 28.277 -12.707 1.00 0.00 H +ATOM 1295 HG12 VAL A 89 -4.704 26.996 -13.312 1.00 0.00 H +ATOM 1296 HG13 VAL A 89 -3.638 26.689 -11.942 1.00 0.00 H +ATOM 1297 HG21 VAL A 89 -7.382 28.571 -11.686 1.00 0.00 H +ATOM 1298 HG22 VAL A 89 -6.620 28.074 -13.197 1.00 0.00 H +ATOM 1299 HG23 VAL A 89 -6.175 29.607 -12.447 1.00 0.00 H +ATOM 1300 N ILE A 90 -4.705 24.737 -9.957 1.00 0.00 N +ATOM 1301 CA ILE A 90 -3.687 24.050 -9.112 1.00 0.00 C +ATOM 1302 C ILE A 90 -2.685 23.328 -10.015 1.00 0.00 C +ATOM 1303 O ILE A 90 -3.060 22.636 -10.941 1.00 0.00 O +ATOM 1304 CB ILE A 90 -4.474 23.050 -8.266 1.00 0.00 C +ATOM 1305 CG1 ILE A 90 -5.478 23.804 -7.391 1.00 0.00 C +ATOM 1306 CG2 ILE A 90 -3.509 22.268 -7.372 1.00 0.00 C +ATOM 1307 CD1 ILE A 90 -6.287 22.803 -6.565 1.00 0.00 C +ATOM 1308 H ILE A 90 -5.225 24.223 -10.610 1.00 0.00 H +ATOM 1309 HA ILE A 90 -3.182 24.760 -8.477 1.00 0.00 H +ATOM 1310 HB ILE A 90 -5.000 22.365 -8.914 1.00 0.00 H +ATOM 1311 HG12 ILE A 90 -4.946 24.473 -6.729 1.00 0.00 H +ATOM 1312 HG13 ILE A 90 -6.146 24.374 -8.019 1.00 0.00 H +ATOM 1313 HG21 ILE A 90 -4.071 21.617 -6.718 1.00 0.00 H +ATOM 1314 HG22 ILE A 90 -2.928 22.958 -6.779 1.00 0.00 H +ATOM 1315 HG23 ILE A 90 -2.848 21.676 -7.987 1.00 0.00 H +ATOM 1316 HD11 ILE A 90 -7.051 23.328 -6.011 1.00 0.00 H +ATOM 1317 HD12 ILE A 90 -5.630 22.291 -5.878 1.00 0.00 H +ATOM 1318 HD13 ILE A 90 -6.749 22.083 -7.224 1.00 0.00 H +ATOM 1319 N SER A 91 -1.416 23.492 -9.767 1.00 0.00 N +ATOM 1320 CA SER A 91 -0.407 22.819 -10.637 1.00 0.00 C +ATOM 1321 C SER A 91 0.556 21.967 -9.805 1.00 0.00 C +ATOM 1322 O SER A 91 0.850 22.273 -8.668 1.00 0.00 O +ATOM 1323 CB SER A 91 0.344 23.961 -11.318 1.00 0.00 C +ATOM 1324 OG SER A 91 1.141 24.638 -10.356 1.00 0.00 O +ATOM 1325 H SER A 91 -1.128 24.063 -9.021 1.00 0.00 H +ATOM 1326 HA SER A 91 -0.899 22.211 -11.380 1.00 0.00 H +ATOM 1327 HB2 SER A 91 0.981 23.566 -12.092 1.00 0.00 H +ATOM 1328 HB3 SER A 91 -0.368 24.648 -11.758 1.00 0.00 H +ATOM 1329 HG SER A 91 1.734 23.997 -9.958 1.00 0.00 H +ATOM 1330 N ASN A 92 1.058 20.905 -10.376 1.00 0.00 N +ATOM 1331 CA ASN A 92 2.012 20.034 -9.632 1.00 0.00 C +ATOM 1332 C ASN A 92 3.440 20.532 -9.852 1.00 0.00 C +ATOM 1333 O ASN A 92 3.967 20.477 -10.945 1.00 0.00 O +ATOM 1334 CB ASN A 92 1.835 18.640 -10.236 1.00 0.00 C +ATOM 1335 CG ASN A 92 2.467 17.598 -9.313 1.00 0.00 C +ATOM 1336 OD1 ASN A 92 3.625 17.703 -8.962 1.00 0.00 O +ATOM 1337 ND2 ASN A 92 1.750 16.586 -8.903 1.00 0.00 N +ATOM 1338 H ASN A 92 0.813 20.684 -11.299 1.00 0.00 H +ATOM 1339 HA ASN A 92 1.773 20.014 -8.581 1.00 0.00 H +ATOM 1340 HB2 ASN A 92 0.783 18.430 -10.350 1.00 0.00 H +ATOM 1341 HB3 ASN A 92 2.317 18.602 -11.201 1.00 0.00 H +ATOM 1342 HD21 ASN A 92 0.816 16.501 -9.187 1.00 0.00 H +ATOM 1343 HD22 ASN A 92 2.146 15.913 -8.312 1.00 0.00 H +ATOM 1344 N ILE A 93 4.068 21.019 -8.820 1.00 0.00 N +ATOM 1345 CA ILE A 93 5.461 21.526 -8.965 1.00 0.00 C +ATOM 1346 C ILE A 93 6.453 20.360 -8.845 1.00 0.00 C +ATOM 1347 O ILE A 93 7.643 20.550 -8.685 1.00 0.00 O +ATOM 1348 CB ILE A 93 5.615 22.541 -7.822 1.00 0.00 C +ATOM 1349 CG1 ILE A 93 5.155 23.917 -8.311 1.00 0.00 C +ATOM 1350 CG2 ILE A 93 7.073 22.634 -7.374 1.00 0.00 C +ATOM 1351 CD1 ILE A 93 3.925 24.355 -7.517 1.00 0.00 C +ATOM 1352 H ILE A 93 3.624 21.054 -7.948 1.00 0.00 H +ATOM 1353 HA ILE A 93 5.580 22.021 -9.915 1.00 0.00 H +ATOM 1354 HB ILE A 93 5.003 22.236 -6.987 1.00 0.00 H +ATOM 1355 HG12 ILE A 93 5.951 24.634 -8.168 1.00 0.00 H +ATOM 1356 HG13 ILE A 93 4.904 23.862 -9.360 1.00 0.00 H +ATOM 1357 HG21 ILE A 93 7.226 23.560 -6.839 1.00 0.00 H +ATOM 1358 HG22 ILE A 93 7.717 22.608 -8.240 1.00 0.00 H +ATOM 1359 HG23 ILE A 93 7.303 21.801 -6.727 1.00 0.00 H +ATOM 1360 HD11 ILE A 93 3.972 23.937 -6.523 1.00 0.00 H +ATOM 1361 HD12 ILE A 93 3.032 24.004 -8.014 1.00 0.00 H +ATOM 1362 HD13 ILE A 93 3.901 25.433 -7.454 1.00 0.00 H +ATOM 1363 N GLU A 94 5.973 19.150 -8.940 1.00 0.00 N +ATOM 1364 CA GLU A 94 6.878 17.981 -8.848 1.00 0.00 C +ATOM 1365 C GLU A 94 6.262 16.771 -9.557 1.00 0.00 C +ATOM 1366 O GLU A 94 6.282 15.667 -9.050 1.00 0.00 O +ATOM 1367 CB GLU A 94 7.037 17.712 -7.351 1.00 0.00 C +ATOM 1368 CG GLU A 94 8.378 17.021 -7.096 1.00 0.00 C +ATOM 1369 CD GLU A 94 8.134 15.583 -6.633 1.00 0.00 C +ATOM 1370 OE1 GLU A 94 7.549 15.414 -5.576 1.00 0.00 O +ATOM 1371 OE2 GLU A 94 8.535 14.677 -7.344 1.00 0.00 O +ATOM 1372 H GLU A 94 5.023 19.012 -9.084 1.00 0.00 H +ATOM 1373 HA GLU A 94 7.826 18.224 -9.280 1.00 0.00 H +ATOM 1374 HB2 GLU A 94 7.005 18.648 -6.812 1.00 0.00 H +ATOM 1375 HB3 GLU A 94 6.235 17.074 -7.012 1.00 0.00 H +ATOM 1376 HG2 GLU A 94 8.957 17.012 -8.008 1.00 0.00 H +ATOM 1377 HG3 GLU A 94 8.920 17.556 -6.331 1.00 0.00 H +ATOM 1378 N SER A 95 5.716 16.968 -10.728 1.00 0.00 N +ATOM 1379 CA SER A 95 5.105 15.824 -11.465 1.00 0.00 C +ATOM 1380 C SER A 95 4.924 16.174 -12.946 1.00 0.00 C +ATOM 1381 O SER A 95 5.593 15.634 -13.805 1.00 0.00 O +ATOM 1382 CB SER A 95 3.750 15.599 -10.798 1.00 0.00 C +ATOM 1383 OG SER A 95 3.312 14.272 -11.062 1.00 0.00 O +ATOM 1384 H SER A 95 5.710 17.865 -11.123 1.00 0.00 H +ATOM 1385 HA SER A 95 5.716 14.941 -11.361 1.00 0.00 H +ATOM 1386 HB2 SER A 95 3.843 15.736 -9.734 1.00 0.00 H +ATOM 1387 HB3 SER A 95 3.034 16.309 -11.189 1.00 0.00 H +ATOM 1388 HG SER A 95 2.657 14.310 -11.763 1.00 0.00 H +ATOM 1389 N GLY A 96 4.024 17.069 -13.255 1.00 0.00 N +ATOM 1390 CA GLY A 96 3.808 17.438 -14.683 1.00 0.00 C +ATOM 1391 C GLY A 96 3.084 18.783 -14.774 1.00 0.00 C +ATOM 1392 O GLY A 96 2.077 18.912 -15.441 1.00 0.00 O +ATOM 1393 H GLY A 96 3.490 17.493 -12.552 1.00 0.00 H +ATOM 1394 HA2 GLY A 96 4.764 17.510 -15.182 1.00 0.00 H +ATOM 1395 HA3 GLY A 96 3.209 16.679 -15.163 1.00 0.00 H +ATOM 1396 N GLU A 97 3.591 19.790 -14.116 1.00 0.00 N +ATOM 1397 CA GLU A 97 2.934 21.129 -14.176 1.00 0.00 C +ATOM 1398 C GLU A 97 1.469 21.034 -13.727 1.00 0.00 C +ATOM 1399 O GLU A 97 1.157 20.389 -12.746 1.00 0.00 O +ATOM 1400 CB GLU A 97 3.026 21.541 -15.645 1.00 0.00 C +ATOM 1401 CG GLU A 97 3.103 23.065 -15.744 1.00 0.00 C +ATOM 1402 CD GLU A 97 4.275 23.461 -16.644 1.00 0.00 C +ATOM 1403 OE1 GLU A 97 4.831 22.581 -17.281 1.00 0.00 O +ATOM 1404 OE2 GLU A 97 4.597 24.637 -16.681 1.00 0.00 O +ATOM 1405 H GLU A 97 4.408 19.668 -13.588 1.00 0.00 H +ATOM 1406 HA GLU A 97 3.470 21.837 -13.563 1.00 0.00 H +ATOM 1407 HB2 GLU A 97 3.912 21.105 -16.086 1.00 0.00 H +ATOM 1408 HB3 GLU A 97 2.152 21.191 -16.173 1.00 0.00 H +ATOM 1409 HG2 GLU A 97 2.182 23.445 -16.162 1.00 0.00 H +ATOM 1410 HG3 GLU A 97 3.251 23.483 -14.759 1.00 0.00 H +ATOM 1411 N VAL A 98 0.574 21.679 -14.434 1.00 0.00 N +ATOM 1412 CA VAL A 98 -0.872 21.638 -14.053 1.00 0.00 C +ATOM 1413 C VAL A 98 -1.255 20.249 -13.532 1.00 0.00 C +ATOM 1414 O VAL A 98 -0.608 19.265 -13.831 1.00 0.00 O +ATOM 1415 CB VAL A 98 -1.626 21.951 -15.345 1.00 0.00 C +ATOM 1416 CG1 VAL A 98 -3.111 21.630 -15.163 1.00 0.00 C +ATOM 1417 CG2 VAL A 98 -1.464 23.435 -15.681 1.00 0.00 C +ATOM 1418 H VAL A 98 0.852 22.197 -15.217 1.00 0.00 H +ATOM 1419 HA VAL A 98 -1.087 22.390 -13.311 1.00 0.00 H +ATOM 1420 HB VAL A 98 -1.225 21.352 -16.149 1.00 0.00 H +ATOM 1421 HG11 VAL A 98 -3.404 21.847 -14.146 1.00 0.00 H +ATOM 1422 HG12 VAL A 98 -3.281 20.584 -15.371 1.00 0.00 H +ATOM 1423 HG13 VAL A 98 -3.695 22.232 -15.842 1.00 0.00 H +ATOM 1424 HG21 VAL A 98 -1.812 24.033 -14.852 1.00 0.00 H +ATOM 1425 HG22 VAL A 98 -2.044 23.670 -16.562 1.00 0.00 H +ATOM 1426 HG23 VAL A 98 -0.422 23.650 -15.868 1.00 0.00 H +ATOM 1427 N LEU A 99 -2.299 20.163 -12.751 1.00 0.00 N +ATOM 1428 CA LEU A 99 -2.711 18.836 -12.212 1.00 0.00 C +ATOM 1429 C LEU A 99 -4.207 18.822 -11.892 1.00 0.00 C +ATOM 1430 O LEU A 99 -4.912 17.890 -12.225 1.00 0.00 O +ATOM 1431 CB LEU A 99 -1.889 18.661 -10.934 1.00 0.00 C +ATOM 1432 CG LEU A 99 -2.451 17.499 -10.111 1.00 0.00 C +ATOM 1433 CD1 LEU A 99 -2.091 16.174 -10.786 1.00 0.00 C +ATOM 1434 CD2 LEU A 99 -1.846 17.535 -8.706 1.00 0.00 C +ATOM 1435 H LEU A 99 -2.806 20.968 -12.517 1.00 0.00 H +ATOM 1436 HA LEU A 99 -2.471 18.056 -12.911 1.00 0.00 H +ATOM 1437 HB2 LEU A 99 -0.863 18.453 -11.196 1.00 0.00 H +ATOM 1438 HB3 LEU A 99 -1.935 19.567 -10.350 1.00 0.00 H +ATOM 1439 HG LEU A 99 -3.525 17.588 -10.045 1.00 0.00 H +ATOM 1440 HD11 LEU A 99 -2.918 15.846 -11.398 1.00 0.00 H +ATOM 1441 HD12 LEU A 99 -1.884 15.430 -10.030 1.00 0.00 H +ATOM 1442 HD13 LEU A 99 -1.217 16.311 -11.405 1.00 0.00 H +ATOM 1443 HD21 LEU A 99 -2.223 18.396 -8.174 1.00 0.00 H +ATOM 1444 HD22 LEU A 99 -0.771 17.598 -8.779 1.00 0.00 H +ATOM 1445 HD23 LEU A 99 -2.119 16.635 -8.174 1.00 0.00 H +ATOM 1446 N GLU A 100 -4.695 19.837 -11.240 1.00 0.00 N +ATOM 1447 CA GLU A 100 -6.146 19.860 -10.894 1.00 0.00 C +ATOM 1448 C GLU A 100 -6.762 21.231 -11.184 1.00 0.00 C +ATOM 1449 O GLU A 100 -6.101 22.250 -11.135 1.00 0.00 O +ATOM 1450 CB GLU A 100 -6.200 19.561 -9.396 1.00 0.00 C +ATOM 1451 CG GLU A 100 -7.599 19.881 -8.864 1.00 0.00 C +ATOM 1452 CD GLU A 100 -7.654 19.593 -7.362 1.00 0.00 C +ATOM 1453 OE1 GLU A 100 -6.644 19.173 -6.822 1.00 0.00 O +ATOM 1454 OE2 GLU A 100 -8.706 19.798 -6.779 1.00 0.00 O +ATOM 1455 H GLU A 100 -4.110 20.575 -10.972 1.00 0.00 H +ATOM 1456 HA GLU A 100 -6.671 19.092 -11.437 1.00 0.00 H +ATOM 1457 HB2 GLU A 100 -5.980 18.516 -9.230 1.00 0.00 H +ATOM 1458 HB3 GLU A 100 -5.473 20.170 -8.881 1.00 0.00 H +ATOM 1459 HG2 GLU A 100 -7.820 20.923 -9.040 1.00 0.00 H +ATOM 1460 HG3 GLU A 100 -8.326 19.267 -9.372 1.00 0.00 H +ATOM 1461 N ARG A 101 -8.033 21.254 -11.476 1.00 0.00 N +ATOM 1462 CA ARG A 101 -8.724 22.543 -11.765 1.00 0.00 C +ATOM 1463 C ARG A 101 -10.194 22.434 -11.348 1.00 0.00 C +ATOM 1464 O ARG A 101 -10.990 21.803 -12.015 1.00 0.00 O +ATOM 1465 CB ARG A 101 -8.601 22.725 -13.279 1.00 0.00 C +ATOM 1466 CG ARG A 101 -9.625 23.757 -13.759 1.00 0.00 C +ATOM 1467 CD ARG A 101 -9.419 24.027 -15.252 1.00 0.00 C +ATOM 1468 NE ARG A 101 -9.328 22.680 -15.882 1.00 0.00 N +ATOM 1469 CZ ARG A 101 -10.186 22.330 -16.801 1.00 0.00 C +ATOM 1470 NH1 ARG A 101 -10.043 22.760 -18.024 1.00 0.00 N +ATOM 1471 NH2 ARG A 101 -11.187 21.549 -16.496 1.00 0.00 N +ATOM 1472 H ARG A 101 -8.540 20.416 -11.501 1.00 0.00 H +ATOM 1473 HA ARG A 101 -8.240 23.358 -11.249 1.00 0.00 H +ATOM 1474 HB2 ARG A 101 -7.605 23.067 -13.520 1.00 0.00 H +ATOM 1475 HB3 ARG A 101 -8.787 21.782 -13.770 1.00 0.00 H +ATOM 1476 HG2 ARG A 101 -10.623 23.376 -13.596 1.00 0.00 H +ATOM 1477 HG3 ARG A 101 -9.495 24.676 -13.208 1.00 0.00 H +ATOM 1478 HD2 ARG A 101 -10.260 24.576 -15.653 1.00 0.00 H +ATOM 1479 HD3 ARG A 101 -8.502 24.573 -15.413 1.00 0.00 H +ATOM 1480 HE ARG A 101 -8.622 22.058 -15.608 1.00 0.00 H +ATOM 1481 HH11 ARG A 101 -9.276 23.358 -18.258 1.00 0.00 H +ATOM 1482 HH12 ARG A 101 -10.700 22.491 -18.729 1.00 0.00 H +ATOM 1483 HH21 ARG A 101 -11.297 21.219 -15.559 1.00 0.00 H +ATOM 1484 HH22 ARG A 101 -11.844 21.281 -17.201 1.00 0.00 H +ATOM 1485 N TRP A 102 -10.562 23.032 -10.246 1.00 0.00 N +ATOM 1486 CA TRP A 102 -11.981 22.940 -9.797 1.00 0.00 C +ATOM 1487 C TRP A 102 -12.730 24.196 -10.248 1.00 0.00 C +ATOM 1488 O TRP A 102 -12.656 25.234 -9.622 1.00 0.00 O +ATOM 1489 CB TRP A 102 -11.910 22.868 -8.269 1.00 0.00 C +ATOM 1490 CG TRP A 102 -12.385 21.529 -7.796 1.00 0.00 C +ATOM 1491 CD1 TRP A 102 -11.662 20.390 -7.892 1.00 0.00 C +ATOM 1492 CD2 TRP A 102 -13.646 21.158 -7.153 1.00 0.00 C +ATOM 1493 NE1 TRP A 102 -12.390 19.348 -7.353 1.00 0.00 N +ATOM 1494 CE2 TRP A 102 -13.617 19.769 -6.886 1.00 0.00 C +ATOM 1495 CE3 TRP A 102 -14.801 21.873 -6.779 1.00 0.00 C +ATOM 1496 CZ2 TRP A 102 -14.685 19.119 -6.273 1.00 0.00 C +ATOM 1497 CZ3 TRP A 102 -15.877 21.220 -6.161 1.00 0.00 C +ATOM 1498 CH2 TRP A 102 -15.819 19.847 -5.909 1.00 0.00 C +ATOM 1499 H TRP A 102 -9.908 23.532 -9.714 1.00 0.00 H +ATOM 1500 HA TRP A 102 -12.450 22.053 -10.193 1.00 0.00 H +ATOM 1501 HB2 TRP A 102 -10.881 23.001 -7.965 1.00 0.00 H +ATOM 1502 HB3 TRP A 102 -12.505 23.657 -7.836 1.00 0.00 H +ATOM 1503 HD1 TRP A 102 -10.674 20.308 -8.320 1.00 0.00 H +ATOM 1504 HE1 TRP A 102 -12.090 18.417 -7.300 1.00 0.00 H +ATOM 1505 HE3 TRP A 102 -14.862 22.926 -6.965 1.00 0.00 H +ATOM 1506 HZ2 TRP A 102 -14.634 18.062 -6.078 1.00 0.00 H +ATOM 1507 HZ3 TRP A 102 -16.755 21.781 -5.878 1.00 0.00 H +ATOM 1508 HH2 TRP A 102 -16.649 19.351 -5.432 1.00 0.00 H +ATOM 1509 N GLN A 103 -13.438 24.113 -11.338 1.00 0.00 N +ATOM 1510 CA GLN A 103 -14.179 25.305 -11.839 1.00 0.00 C +ATOM 1511 C GLN A 103 -15.638 25.251 -11.394 1.00 0.00 C +ATOM 1512 O GLN A 103 -16.361 24.327 -11.710 1.00 0.00 O +ATOM 1513 CB GLN A 103 -14.087 25.220 -13.362 1.00 0.00 C +ATOM 1514 CG GLN A 103 -13.409 26.481 -13.905 1.00 0.00 C +ATOM 1515 CD GLN A 103 -13.269 26.373 -15.425 1.00 0.00 C +ATOM 1516 OE1 GLN A 103 -12.439 27.033 -16.018 1.00 0.00 O +ATOM 1517 NE2 GLN A 103 -14.053 25.564 -16.085 1.00 0.00 N +ATOM 1518 H GLN A 103 -13.477 23.271 -11.832 1.00 0.00 H +ATOM 1519 HA GLN A 103 -13.712 26.213 -11.492 1.00 0.00 H +ATOM 1520 HB2 GLN A 103 -13.510 24.351 -13.640 1.00 0.00 H +ATOM 1521 HB3 GLN A 103 -15.080 25.142 -13.778 1.00 0.00 H +ATOM 1522 HG2 GLN A 103 -14.008 27.345 -13.658 1.00 0.00 H +ATOM 1523 HG3 GLN A 103 -12.430 26.582 -13.462 1.00 0.00 H +ATOM 1524 HE21 GLN A 103 -14.723 25.033 -15.608 1.00 0.00 H +ATOM 1525 HE22 GLN A 103 -13.971 25.489 -17.059 1.00 0.00 H +ATOM 1526 N PHE A 104 -16.081 26.237 -10.668 1.00 0.00 N +ATOM 1527 CA PHE A 104 -17.498 26.243 -10.212 1.00 0.00 C +ATOM 1528 C PHE A 104 -18.103 27.631 -10.407 1.00 0.00 C +ATOM 1529 O PHE A 104 -17.506 28.638 -10.083 1.00 0.00 O +ATOM 1530 CB PHE A 104 -17.465 25.868 -8.727 1.00 0.00 C +ATOM 1531 CG PHE A 104 -16.245 26.462 -8.071 1.00 0.00 C +ATOM 1532 CD1 PHE A 104 -15.012 25.812 -8.174 1.00 0.00 C +ATOM 1533 CD2 PHE A 104 -16.351 27.658 -7.357 1.00 0.00 C +ATOM 1534 CE1 PHE A 104 -13.879 26.359 -7.562 1.00 0.00 C +ATOM 1535 CE2 PHE A 104 -15.218 28.207 -6.742 1.00 0.00 C +ATOM 1536 CZ PHE A 104 -13.982 27.557 -6.846 1.00 0.00 C +ATOM 1537 H PHE A 104 -15.484 26.978 -10.426 1.00 0.00 H +ATOM 1538 HA PHE A 104 -18.067 25.509 -10.760 1.00 0.00 H +ATOM 1539 HB2 PHE A 104 -18.352 26.248 -8.243 1.00 0.00 H +ATOM 1540 HB3 PHE A 104 -17.437 24.793 -8.629 1.00 0.00 H +ATOM 1541 HD1 PHE A 104 -14.934 24.888 -8.729 1.00 0.00 H +ATOM 1542 HD2 PHE A 104 -17.307 28.157 -7.284 1.00 0.00 H +ATOM 1543 HE1 PHE A 104 -12.926 25.858 -7.641 1.00 0.00 H +ATOM 1544 HE2 PHE A 104 -15.296 29.129 -6.187 1.00 0.00 H +ATOM 1545 HZ PHE A 104 -13.108 27.980 -6.372 1.00 0.00 H +ATOM 1546 N ASP A 105 -19.287 27.682 -10.939 1.00 0.00 N +ATOM 1547 CA ASP A 105 -19.959 28.991 -11.172 1.00 0.00 C +ATOM 1548 C ASP A 105 -21.008 29.228 -10.090 1.00 0.00 C +ATOM 1549 O ASP A 105 -21.275 28.370 -9.276 1.00 0.00 O +ATOM 1550 CB ASP A 105 -20.629 28.840 -12.539 1.00 0.00 C +ATOM 1551 CG ASP A 105 -21.464 30.083 -12.852 1.00 0.00 C +ATOM 1552 OD1 ASP A 105 -22.548 30.198 -12.305 1.00 0.00 O +ATOM 1553 OD2 ASP A 105 -21.010 30.895 -13.639 1.00 0.00 O +ATOM 1554 H ASP A 105 -19.739 26.852 -11.186 1.00 0.00 H +ATOM 1555 HA ASP A 105 -19.241 29.795 -11.195 1.00 0.00 H +ATOM 1556 HB2 ASP A 105 -19.872 28.714 -13.300 1.00 0.00 H +ATOM 1557 HB3 ASP A 105 -21.273 27.976 -12.526 1.00 0.00 H +ATOM 1558 N ILE A 106 -21.612 30.377 -10.077 1.00 0.00 N +ATOM 1559 CA ILE A 106 -22.652 30.654 -9.053 1.00 0.00 C +ATOM 1560 C ILE A 106 -23.940 31.108 -9.745 1.00 0.00 C +ATOM 1561 O ILE A 106 -23.937 31.493 -10.898 1.00 0.00 O +ATOM 1562 CB ILE A 106 -22.077 31.779 -8.185 1.00 0.00 C +ATOM 1563 CG1 ILE A 106 -20.598 31.505 -7.886 1.00 0.00 C +ATOM 1564 CG2 ILE A 106 -22.859 31.870 -6.872 1.00 0.00 C +ATOM 1565 CD1 ILE A 106 -20.471 30.322 -6.925 1.00 0.00 C +ATOM 1566 H ILE A 106 -21.389 31.056 -10.746 1.00 0.00 H +ATOM 1567 HA ILE A 106 -22.834 29.778 -8.451 1.00 0.00 H +ATOM 1568 HB ILE A 106 -22.167 32.712 -8.711 1.00 0.00 H +ATOM 1569 HG12 ILE A 106 -20.080 31.278 -8.806 1.00 0.00 H +ATOM 1570 HG13 ILE A 106 -20.156 32.381 -7.433 1.00 0.00 H +ATOM 1571 HG21 ILE A 106 -22.662 32.821 -6.401 1.00 0.00 H +ATOM 1572 HG22 ILE A 106 -22.554 31.073 -6.213 1.00 0.00 H +ATOM 1573 HG23 ILE A 106 -23.915 31.782 -7.076 1.00 0.00 H +ATOM 1574 HD11 ILE A 106 -19.463 30.279 -6.538 1.00 0.00 H +ATOM 1575 HD12 ILE A 106 -20.695 29.406 -7.451 1.00 0.00 H +ATOM 1576 HD13 ILE A 106 -21.165 30.447 -6.107 1.00 0.00 H +ATOM 1577 N GLU A 107 -25.041 31.059 -9.061 1.00 0.00 N +ATOM 1578 CA GLU A 107 -26.319 31.495 -9.688 1.00 0.00 C +ATOM 1579 C GLU A 107 -27.271 32.017 -8.604 1.00 0.00 C +ATOM 1580 O GLU A 107 -27.691 31.287 -7.727 1.00 0.00 O +ATOM 1581 CB GLU A 107 -26.854 30.240 -10.405 1.00 0.00 C +ATOM 1582 CG GLU A 107 -28.361 30.071 -10.184 1.00 0.00 C +ATOM 1583 CD GLU A 107 -29.095 31.347 -10.602 1.00 0.00 C +ATOM 1584 OE1 GLU A 107 -28.867 31.803 -11.711 1.00 0.00 O +ATOM 1585 OE2 GLU A 107 -29.872 31.848 -9.806 1.00 0.00 O +ATOM 1586 H GLU A 107 -25.028 30.739 -8.135 1.00 0.00 H +ATOM 1587 HA GLU A 107 -26.126 32.273 -10.411 1.00 0.00 H +ATOM 1588 HB2 GLU A 107 -26.662 30.332 -11.464 1.00 0.00 H +ATOM 1589 HB3 GLU A 107 -26.340 29.371 -10.029 1.00 0.00 H +ATOM 1590 HG2 GLU A 107 -28.717 29.243 -10.778 1.00 0.00 H +ATOM 1591 HG3 GLU A 107 -28.548 29.870 -9.142 1.00 0.00 H +ATOM 1592 N CYS A 108 -27.609 33.276 -8.653 1.00 0.00 N +ATOM 1593 CA CYS A 108 -28.528 33.833 -7.618 1.00 0.00 C +ATOM 1594 C CYS A 108 -29.968 33.841 -8.138 1.00 0.00 C +ATOM 1595 O CYS A 108 -30.239 34.278 -9.239 1.00 0.00 O +ATOM 1596 CB CYS A 108 -28.036 35.259 -7.374 1.00 0.00 C +ATOM 1597 SG CYS A 108 -29.212 36.128 -6.306 1.00 0.00 S +ATOM 1598 H CYS A 108 -27.258 33.856 -9.366 1.00 0.00 H +ATOM 1599 HA CYS A 108 -28.459 33.257 -6.708 1.00 0.00 H +ATOM 1600 HB2 CYS A 108 -27.068 35.229 -6.894 1.00 0.00 H +ATOM 1601 HB3 CYS A 108 -27.954 35.779 -8.317 1.00 0.00 H +ATOM 1602 HG CYS A 108 -30.078 36.078 -6.717 1.00 0.00 H +ATOM 1603 N ASP A 109 -30.892 33.358 -7.352 1.00 0.00 N +ATOM 1604 CA ASP A 109 -32.315 33.335 -7.797 1.00 0.00 C +ATOM 1605 C ASP A 109 -33.215 33.952 -6.724 1.00 0.00 C +ATOM 1606 O ASP A 109 -32.806 34.155 -5.598 1.00 0.00 O +ATOM 1607 CB ASP A 109 -32.644 31.853 -7.988 1.00 0.00 C +ATOM 1608 CG ASP A 109 -34.160 31.673 -8.076 1.00 0.00 C +ATOM 1609 OD1 ASP A 109 -34.789 32.443 -8.782 1.00 0.00 O +ATOM 1610 OD2 ASP A 109 -34.667 30.766 -7.435 1.00 0.00 O +ATOM 1611 H ASP A 109 -30.650 33.010 -6.469 1.00 0.00 H +ATOM 1612 HA ASP A 109 -32.427 33.860 -8.732 1.00 0.00 H +ATOM 1613 HB2 ASP A 109 -32.184 31.497 -8.899 1.00 0.00 H +ATOM 1614 HB3 ASP A 109 -32.264 31.290 -7.149 1.00 0.00 H +ATOM 1615 N LYS A 110 -34.439 34.249 -7.064 1.00 0.00 N +ATOM 1616 CA LYS A 110 -35.369 34.852 -6.065 1.00 0.00 C +ATOM 1617 C LYS A 110 -34.748 36.108 -5.450 1.00 0.00 C +ATOM 1618 O LYS A 110 -34.695 36.263 -4.246 1.00 0.00 O +ATOM 1619 CB LYS A 110 -35.564 33.770 -5.003 1.00 0.00 C +ATOM 1620 CG LYS A 110 -36.432 32.645 -5.571 1.00 0.00 C +ATOM 1621 CD LYS A 110 -37.747 32.573 -4.794 1.00 0.00 C +ATOM 1622 CE LYS A 110 -37.463 32.166 -3.347 1.00 0.00 C +ATOM 1623 NZ LYS A 110 -38.798 31.844 -2.769 1.00 0.00 N +ATOM 1624 H LYS A 110 -34.748 34.076 -7.977 1.00 0.00 H +ATOM 1625 HA LYS A 110 -36.312 35.089 -6.528 1.00 0.00 H +ATOM 1626 HB2 LYS A 110 -34.602 33.373 -4.713 1.00 0.00 H +ATOM 1627 HB3 LYS A 110 -36.052 34.197 -4.139 1.00 0.00 H +ATOM 1628 HG2 LYS A 110 -36.638 32.842 -6.614 1.00 0.00 H +ATOM 1629 HG3 LYS A 110 -35.909 31.705 -5.478 1.00 0.00 H +ATOM 1630 HD2 LYS A 110 -38.228 33.541 -4.809 1.00 0.00 H +ATOM 1631 HD3 LYS A 110 -38.396 31.841 -5.251 1.00 0.00 H +ATOM 1632 HE2 LYS A 110 -36.820 31.297 -3.322 1.00 0.00 H +ATOM 1633 HE3 LYS A 110 -37.014 32.985 -2.807 1.00 0.00 H +ATOM 1634 HZ1 LYS A 110 -39.036 30.853 -2.976 1.00 0.00 H +ATOM 1635 HZ2 LYS A 110 -39.516 32.469 -3.189 1.00 0.00 H +ATOM 1636 HZ3 LYS A 110 -38.774 31.984 -1.740 1.00 0.00 H +ATOM 1637 N THR A 111 -34.279 37.005 -6.270 1.00 0.00 N +ATOM 1638 CA THR A 111 -33.661 38.252 -5.746 1.00 0.00 C +ATOM 1639 C THR A 111 -34.694 39.068 -4.961 1.00 0.00 C +ATOM 1640 O THR A 111 -35.881 38.982 -5.206 1.00 0.00 O +ATOM 1641 CB THR A 111 -33.200 39.018 -6.988 1.00 0.00 C +ATOM 1642 OG1 THR A 111 -32.265 38.227 -7.708 1.00 0.00 O +ATOM 1643 CG2 THR A 111 -32.542 40.333 -6.567 1.00 0.00 C +ATOM 1644 H THR A 111 -34.331 36.858 -7.232 1.00 0.00 H +ATOM 1645 HA THR A 111 -32.817 38.013 -5.128 1.00 0.00 H +ATOM 1646 HB THR A 111 -34.051 39.232 -7.616 1.00 0.00 H +ATOM 1647 HG1 THR A 111 -31.590 37.932 -7.093 1.00 0.00 H +ATOM 1648 HG21 THR A 111 -33.044 41.158 -7.051 1.00 0.00 H +ATOM 1649 HG22 THR A 111 -31.502 40.324 -6.857 1.00 0.00 H +ATOM 1650 HG23 THR A 111 -32.615 40.446 -5.496 1.00 0.00 H +ATOM 1651 N ALA A 112 -34.253 39.863 -4.023 1.00 0.00 N +ATOM 1652 CA ALA A 112 -35.206 40.686 -3.229 1.00 0.00 C +ATOM 1653 C ALA A 112 -34.491 41.317 -2.030 1.00 0.00 C +ATOM 1654 O ALA A 112 -33.328 41.065 -1.787 1.00 0.00 O +ATOM 1655 CB ALA A 112 -36.287 39.712 -2.757 1.00 0.00 C +ATOM 1656 H ALA A 112 -33.295 39.923 -3.843 1.00 0.00 H +ATOM 1657 HA ALA A 112 -35.642 41.448 -3.849 1.00 0.00 H +ATOM 1658 HB1 ALA A 112 -35.835 38.761 -2.517 1.00 0.00 H +ATOM 1659 HB2 ALA A 112 -37.017 39.576 -3.541 1.00 0.00 H +ATOM 1660 HB3 ALA A 112 -36.773 40.111 -1.878 1.00 0.00 H +ATOM 1661 N LYS A 113 -35.179 42.135 -1.281 1.00 0.00 N +ATOM 1662 CA LYS A 113 -34.541 42.782 -0.097 1.00 0.00 C +ATOM 1663 C LYS A 113 -35.566 42.951 1.026 1.00 0.00 C +ATOM 1664 O LYS A 113 -35.263 42.783 2.190 1.00 0.00 O +ATOM 1665 CB LYS A 113 -34.063 44.145 -0.599 1.00 0.00 C +ATOM 1666 CG LYS A 113 -32.800 44.555 0.162 1.00 0.00 C +ATOM 1667 CD LYS A 113 -33.192 45.235 1.475 1.00 0.00 C +ATOM 1668 CE LYS A 113 -34.101 46.430 1.181 1.00 0.00 C +ATOM 1669 NZ LYS A 113 -33.854 47.386 2.297 1.00 0.00 N +ATOM 1670 H LYS A 113 -36.116 42.324 -1.496 1.00 0.00 H +ATOM 1671 HA LYS A 113 -33.702 42.199 0.243 1.00 0.00 H +ATOM 1672 HB2 LYS A 113 -33.844 44.084 -1.655 1.00 0.00 H +ATOM 1673 HB3 LYS A 113 -34.835 44.881 -0.433 1.00 0.00 H +ATOM 1674 HG2 LYS A 113 -32.207 43.677 0.372 1.00 0.00 H +ATOM 1675 HG3 LYS A 113 -32.225 45.243 -0.439 1.00 0.00 H +ATOM 1676 HD2 LYS A 113 -33.716 44.528 2.103 1.00 0.00 H +ATOM 1677 HD3 LYS A 113 -32.303 45.577 1.983 1.00 0.00 H +ATOM 1678 HE2 LYS A 113 -33.835 46.878 0.233 1.00 0.00 H +ATOM 1679 HE3 LYS A 113 -35.136 46.125 1.178 1.00 0.00 H +ATOM 1680 HZ1 LYS A 113 -32.891 47.250 2.664 1.00 0.00 H +ATOM 1681 HZ2 LYS A 113 -34.544 47.215 3.057 1.00 0.00 H +ATOM 1682 HZ3 LYS A 113 -33.956 48.360 1.948 1.00 0.00 H +ATOM 1683 N ASP A 114 -36.778 43.281 0.682 1.00 0.00 N +ATOM 1684 CA ASP A 114 -37.830 43.462 1.723 1.00 0.00 C +ATOM 1685 C ASP A 114 -38.176 42.114 2.362 1.00 0.00 C +ATOM 1686 O ASP A 114 -37.868 41.067 1.830 1.00 0.00 O +ATOM 1687 CB ASP A 114 -39.037 44.023 0.970 1.00 0.00 C +ATOM 1688 CG ASP A 114 -39.401 43.085 -0.183 1.00 0.00 C +ATOM 1689 OD1 ASP A 114 -40.075 42.101 0.071 1.00 0.00 O +ATOM 1690 OD2 ASP A 114 -38.998 43.367 -1.299 1.00 0.00 O +ATOM 1691 H ASP A 114 -36.998 43.410 -0.264 1.00 0.00 H +ATOM 1692 HA ASP A 114 -37.503 44.165 2.473 1.00 0.00 H +ATOM 1693 HB2 ASP A 114 -39.876 44.108 1.645 1.00 0.00 H +ATOM 1694 HB3 ASP A 114 -38.793 44.998 0.574 1.00 0.00 H +ATOM 1695 N ASP A 115 -38.815 42.133 3.500 1.00 0.00 N +ATOM 1696 CA ASP A 115 -39.181 40.852 4.171 1.00 0.00 C +ATOM 1697 C ASP A 115 -38.003 39.875 4.131 1.00 0.00 C +ATOM 1698 O ASP A 115 -38.172 38.692 3.914 1.00 0.00 O +ATOM 1699 CB ASP A 115 -40.360 40.308 3.364 1.00 0.00 C +ATOM 1700 CG ASP A 115 -41.405 41.410 3.180 1.00 0.00 C +ATOM 1701 OD1 ASP A 115 -41.592 42.183 4.106 1.00 0.00 O +ATOM 1702 OD2 ASP A 115 -42.001 41.463 2.117 1.00 0.00 O +ATOM 1703 H ASP A 115 -39.056 42.988 3.913 1.00 0.00 H +ATOM 1704 HA ASP A 115 -39.486 41.035 5.190 1.00 0.00 H +ATOM 1705 HB2 ASP A 115 -40.012 39.975 2.397 1.00 0.00 H +ATOM 1706 HB3 ASP A 115 -40.805 39.477 3.892 1.00 0.00 H +ATOM 1707 N SER A 116 -36.809 40.361 4.341 1.00 0.00 N +ATOM 1708 CA SER A 116 -35.621 39.460 4.318 1.00 0.00 C +ATOM 1709 C SER A 116 -35.703 38.445 5.460 1.00 0.00 C +ATOM 1710 O SER A 116 -36.114 37.316 5.274 1.00 0.00 O +ATOM 1711 CB SER A 116 -34.420 40.385 4.512 1.00 0.00 C +ATOM 1712 OG SER A 116 -34.549 41.067 5.753 1.00 0.00 O +ATOM 1713 H SER A 116 -36.695 41.318 4.516 1.00 0.00 H +ATOM 1714 HA SER A 116 -35.547 38.956 3.369 1.00 0.00 H +ATOM 1715 HB2 SER A 116 -33.513 39.805 4.519 1.00 0.00 H +ATOM 1716 HB3 SER A 116 -34.381 41.099 3.699 1.00 0.00 H +ATOM 1717 HG SER A 116 -35.169 41.790 5.632 1.00 0.00 H +ATOM 1718 N ALA A 117 -35.313 38.840 6.639 1.00 0.00 N +ATOM 1719 CA ALA A 117 -35.364 37.904 7.799 1.00 0.00 C +ATOM 1720 C ALA A 117 -34.381 36.748 7.592 1.00 0.00 C +ATOM 1721 O ALA A 117 -34.227 36.250 6.495 1.00 0.00 O +ATOM 1722 CB ALA A 117 -36.802 37.391 7.832 1.00 0.00 C +ATOM 1723 H ALA A 117 -34.984 39.754 6.763 1.00 0.00 H +ATOM 1724 HA ALA A 117 -35.140 38.429 8.715 1.00 0.00 H +ATOM 1725 HB1 ALA A 117 -37.479 38.208 7.631 1.00 0.00 H +ATOM 1726 HB2 ALA A 117 -37.014 36.980 8.807 1.00 0.00 H +ATOM 1727 HB3 ALA A 117 -36.927 36.626 7.082 1.00 0.00 H +ATOM 1728 N PRO A 118 -33.741 36.368 8.664 1.00 0.00 N +ATOM 1729 CA PRO A 118 -32.750 35.268 8.615 1.00 0.00 C +ATOM 1730 C PRO A 118 -33.447 33.904 8.547 1.00 0.00 C +ATOM 1731 O PRO A 118 -33.308 33.084 9.431 1.00 0.00 O +ATOM 1732 CB PRO A 118 -31.987 35.417 9.927 1.00 0.00 C +ATOM 1733 CG PRO A 118 -32.930 36.116 10.855 1.00 0.00 C +ATOM 1734 CD PRO A 118 -33.881 36.929 10.011 1.00 0.00 C +ATOM 1735 HA PRO A 118 -32.079 35.396 7.782 1.00 0.00 H +ATOM 1736 HB2 PRO A 118 -31.722 34.444 10.319 1.00 0.00 H +ATOM 1737 HB3 PRO A 118 -31.102 36.017 9.781 1.00 0.00 H +ATOM 1738 HG2 PRO A 118 -33.481 35.388 11.434 1.00 0.00 H +ATOM 1739 HG3 PRO A 118 -32.381 36.771 11.514 1.00 0.00 H +ATOM 1740 HD2 PRO A 118 -34.895 36.812 10.369 1.00 0.00 H +ATOM 1741 HD3 PRO A 118 -33.595 37.969 10.012 1.00 0.00 H +ATOM 1742 N ARG A 119 -34.188 33.651 7.502 1.00 0.00 N +ATOM 1743 CA ARG A 119 -34.878 32.334 7.384 1.00 0.00 C +ATOM 1744 C ARG A 119 -35.310 32.091 5.932 1.00 0.00 C +ATOM 1745 O ARG A 119 -35.606 33.015 5.201 1.00 0.00 O +ATOM 1746 CB ARG A 119 -36.083 32.422 8.338 1.00 0.00 C +ATOM 1747 CG ARG A 119 -37.352 32.857 7.591 1.00 0.00 C +ATOM 1748 CD ARG A 119 -37.227 34.323 7.176 1.00 0.00 C +ATOM 1749 NE ARG A 119 -38.124 35.058 8.111 1.00 0.00 N +ATOM 1750 CZ ARG A 119 -39.342 35.355 7.749 1.00 0.00 C +ATOM 1751 NH1 ARG A 119 -40.154 34.412 7.358 1.00 0.00 N +ATOM 1752 NH2 ARG A 119 -39.748 36.595 7.778 1.00 0.00 N +ATOM 1753 H ARG A 119 -34.284 34.321 6.793 1.00 0.00 H +ATOM 1754 HA ARG A 119 -34.217 31.544 7.708 1.00 0.00 H +ATOM 1755 HB2 ARG A 119 -36.251 31.454 8.787 1.00 0.00 H +ATOM 1756 HB3 ARG A 119 -35.867 33.140 9.116 1.00 0.00 H +ATOM 1757 HG2 ARG A 119 -37.485 32.242 6.713 1.00 0.00 H +ATOM 1758 HG3 ARG A 119 -38.206 32.743 8.241 1.00 0.00 H +ATOM 1759 HD2 ARG A 119 -36.205 34.659 7.286 1.00 0.00 H +ATOM 1760 HD3 ARG A 119 -37.562 34.457 6.159 1.00 0.00 H +ATOM 1761 HE ARG A 119 -37.801 35.312 9.000 1.00 0.00 H +ATOM 1762 HH11 ARG A 119 -39.844 33.462 7.337 1.00 0.00 H +ATOM 1763 HH12 ARG A 119 -41.088 34.639 7.081 1.00 0.00 H +ATOM 1764 HH21 ARG A 119 -39.127 37.319 8.077 1.00 0.00 H +ATOM 1765 HH22 ARG A 119 -40.682 36.822 7.500 1.00 0.00 H +ATOM 1766 N GLU A 120 -35.349 30.854 5.515 1.00 0.00 N +ATOM 1767 CA GLU A 120 -35.762 30.549 4.113 1.00 0.00 C +ATOM 1768 C GLU A 120 -35.589 29.055 3.819 1.00 0.00 C +ATOM 1769 O GLU A 120 -36.262 28.499 2.974 1.00 0.00 O +ATOM 1770 CB GLU A 120 -34.828 31.380 3.232 1.00 0.00 C +ATOM 1771 CG GLU A 120 -34.882 30.862 1.793 1.00 0.00 C +ATOM 1772 CD GLU A 120 -34.421 31.962 0.835 1.00 0.00 C +ATOM 1773 OE1 GLU A 120 -33.279 32.378 0.948 1.00 0.00 O +ATOM 1774 OE2 GLU A 120 -35.217 32.371 0.006 1.00 0.00 O +ATOM 1775 H GLU A 120 -35.109 30.127 6.125 1.00 0.00 H +ATOM 1776 HA GLU A 120 -36.784 30.848 3.949 1.00 0.00 H +ATOM 1777 HB2 GLU A 120 -35.139 32.415 3.253 1.00 0.00 H +ATOM 1778 HB3 GLU A 120 -33.817 31.301 3.603 1.00 0.00 H +ATOM 1779 HG2 GLU A 120 -34.233 30.003 1.695 1.00 0.00 H +ATOM 1780 HG3 GLU A 120 -35.895 30.577 1.550 1.00 0.00 H +ATOM 1781 N LYS A 121 -34.690 28.401 4.508 1.00 0.00 N +ATOM 1782 CA LYS A 121 -34.470 26.942 4.266 1.00 0.00 C +ATOM 1783 C LYS A 121 -33.794 26.730 2.910 1.00 0.00 C +ATOM 1784 O LYS A 121 -34.386 26.944 1.871 1.00 0.00 O +ATOM 1785 CB LYS A 121 -35.868 26.317 4.276 1.00 0.00 C +ATOM 1786 CG LYS A 121 -35.764 24.831 4.628 1.00 0.00 C +ATOM 1787 CD LYS A 121 -35.350 24.681 6.093 1.00 0.00 C +ATOM 1788 CE LYS A 121 -36.571 24.298 6.932 1.00 0.00 C +ATOM 1789 NZ LYS A 121 -36.222 24.697 8.323 1.00 0.00 N +ATOM 1790 H LYS A 121 -34.156 28.869 5.182 1.00 0.00 H +ATOM 1791 HA LYS A 121 -33.871 26.517 5.056 1.00 0.00 H +ATOM 1792 HB2 LYS A 121 -36.481 26.819 5.009 1.00 0.00 H +ATOM 1793 HB3 LYS A 121 -36.315 26.422 3.299 1.00 0.00 H +ATOM 1794 HG2 LYS A 121 -36.723 24.358 4.473 1.00 0.00 H +ATOM 1795 HG3 LYS A 121 -35.025 24.362 3.997 1.00 0.00 H +ATOM 1796 HD2 LYS A 121 -34.598 23.911 6.176 1.00 0.00 H +ATOM 1797 HD3 LYS A 121 -34.950 25.617 6.451 1.00 0.00 H +ATOM 1798 HE2 LYS A 121 -37.445 24.837 6.591 1.00 0.00 H +ATOM 1799 HE3 LYS A 121 -36.742 23.234 6.885 1.00 0.00 H +ATOM 1800 HZ1 LYS A 121 -36.579 25.655 8.510 1.00 0.00 H +ATOM 1801 HZ2 LYS A 121 -35.187 24.683 8.438 1.00 0.00 H +ATOM 1802 HZ3 LYS A 121 -36.654 24.031 8.994 1.00 0.00 H +ATOM 1803 N SER A 122 -32.557 26.312 2.910 1.00 0.00 N +ATOM 1804 CA SER A 122 -31.848 26.090 1.618 1.00 0.00 C +ATOM 1805 C SER A 122 -32.692 25.207 0.698 1.00 0.00 C +ATOM 1806 O SER A 122 -33.339 24.275 1.135 1.00 0.00 O +ATOM 1807 CB SER A 122 -30.544 25.385 1.989 1.00 0.00 C +ATOM 1808 OG SER A 122 -30.831 24.279 2.834 1.00 0.00 O +ATOM 1809 H SER A 122 -32.095 26.145 3.759 1.00 0.00 H +ATOM 1810 HA SER A 122 -31.633 27.033 1.140 1.00 0.00 H +ATOM 1811 HB2 SER A 122 -30.057 25.031 1.096 1.00 0.00 H +ATOM 1812 HB3 SER A 122 -29.892 26.082 2.499 1.00 0.00 H +ATOM 1813 HG SER A 122 -30.774 23.480 2.305 1.00 0.00 H +ATOM 1814 N GLN A 123 -32.692 25.494 -0.574 1.00 0.00 N +ATOM 1815 CA GLN A 123 -33.495 24.674 -1.525 1.00 0.00 C +ATOM 1816 C GLN A 123 -33.035 23.214 -1.489 1.00 0.00 C +ATOM 1817 O GLN A 123 -31.859 22.928 -1.409 1.00 0.00 O +ATOM 1818 CB GLN A 123 -33.222 25.289 -2.898 1.00 0.00 C +ATOM 1819 CG GLN A 123 -33.380 26.809 -2.818 1.00 0.00 C +ATOM 1820 CD GLN A 123 -34.523 27.253 -3.733 1.00 0.00 C +ATOM 1821 OE1 GLN A 123 -34.481 27.031 -4.927 1.00 0.00 O +ATOM 1822 NE2 GLN A 123 -35.549 27.874 -3.220 1.00 0.00 N +ATOM 1823 H GLN A 123 -32.163 26.250 -0.904 1.00 0.00 H +ATOM 1824 HA GLN A 123 -34.545 24.746 -1.292 1.00 0.00 H +ATOM 1825 HB2 GLN A 123 -32.214 25.047 -3.206 1.00 0.00 H +ATOM 1826 HB3 GLN A 123 -33.923 24.893 -3.616 1.00 0.00 H +ATOM 1827 HG2 GLN A 123 -33.602 27.094 -1.799 1.00 0.00 H +ATOM 1828 HG3 GLN A 123 -32.463 27.284 -3.133 1.00 0.00 H +ATOM 1829 HE21 GLN A 123 -35.583 28.053 -2.257 1.00 0.00 H +ATOM 1830 HE22 GLN A 123 -36.286 28.163 -3.799 1.00 0.00 H +ATOM 1831 N LYS A 124 -33.950 22.288 -1.552 1.00 0.00 N +ATOM 1832 CA LYS A 124 -33.553 20.854 -1.523 1.00 0.00 C +ATOM 1833 C LYS A 124 -32.384 20.623 -2.485 1.00 0.00 C +ATOM 1834 O LYS A 124 -31.448 19.909 -2.182 1.00 0.00 O +ATOM 1835 CB LYS A 124 -34.809 20.094 -1.975 1.00 0.00 C +ATOM 1836 CG LYS A 124 -34.424 18.804 -2.709 1.00 0.00 C +ATOM 1837 CD LYS A 124 -34.293 19.092 -4.206 1.00 0.00 C +ATOM 1838 CE LYS A 124 -35.403 18.363 -4.967 1.00 0.00 C +ATOM 1839 NZ LYS A 124 -36.597 19.246 -4.844 1.00 0.00 N +ATOM 1840 H LYS A 124 -34.894 22.532 -1.617 1.00 0.00 H +ATOM 1841 HA LYS A 124 -33.285 20.562 -0.523 1.00 0.00 H +ATOM 1842 HB2 LYS A 124 -35.404 19.845 -1.109 1.00 0.00 H +ATOM 1843 HB3 LYS A 124 -35.386 20.721 -2.637 1.00 0.00 H +ATOM 1844 HG2 LYS A 124 -33.481 18.440 -2.327 1.00 0.00 H +ATOM 1845 HG3 LYS A 124 -35.189 18.058 -2.553 1.00 0.00 H +ATOM 1846 HD2 LYS A 124 -34.377 20.156 -4.377 1.00 0.00 H +ATOM 1847 HD3 LYS A 124 -33.332 18.747 -4.558 1.00 0.00 H +ATOM 1848 HE2 LYS A 124 -35.128 18.241 -6.006 1.00 0.00 H +ATOM 1849 HE3 LYS A 124 -35.603 17.405 -4.514 1.00 0.00 H +ATOM 1850 HZ1 LYS A 124 -37.027 19.118 -3.906 1.00 0.00 H +ATOM 1851 HZ2 LYS A 124 -37.289 18.997 -5.581 1.00 0.00 H +ATOM 1852 HZ3 LYS A 124 -36.309 20.238 -4.958 1.00 0.00 H +ATOM 1853 N ALA A 125 -32.431 21.225 -3.641 1.00 0.00 N +ATOM 1854 CA ALA A 125 -31.325 21.040 -4.619 1.00 0.00 C +ATOM 1855 C ALA A 125 -29.992 21.415 -3.974 1.00 0.00 C +ATOM 1856 O ALA A 125 -28.960 20.866 -4.299 1.00 0.00 O +ATOM 1857 CB ALA A 125 -31.652 21.985 -5.775 1.00 0.00 C +ATOM 1858 H ALA A 125 -33.190 21.801 -3.864 1.00 0.00 H +ATOM 1859 HA ALA A 125 -31.300 20.020 -4.970 1.00 0.00 H +ATOM 1860 HB1 ALA A 125 -32.613 22.448 -5.601 1.00 0.00 H +ATOM 1861 HB2 ALA A 125 -31.685 21.426 -6.699 1.00 0.00 H +ATOM 1862 HB3 ALA A 125 -30.892 22.749 -5.843 1.00 0.00 H +ATOM 1863 N ILE A 126 -30.003 22.342 -3.055 1.00 0.00 N +ATOM 1864 CA ILE A 126 -28.732 22.733 -2.395 1.00 0.00 C +ATOM 1865 C ILE A 126 -28.159 21.528 -1.658 1.00 0.00 C +ATOM 1866 O ILE A 126 -26.988 21.224 -1.757 1.00 0.00 O +ATOM 1867 CB ILE A 126 -29.098 23.847 -1.407 1.00 0.00 C +ATOM 1868 CG1 ILE A 126 -29.408 25.135 -2.181 1.00 0.00 C +ATOM 1869 CG2 ILE A 126 -27.932 24.096 -0.436 1.00 0.00 C +ATOM 1870 CD1 ILE A 126 -28.124 25.688 -2.804 1.00 0.00 C +ATOM 1871 H ILE A 126 -30.840 22.773 -2.800 1.00 0.00 H +ATOM 1872 HA ILE A 126 -28.038 23.094 -3.126 1.00 0.00 H +ATOM 1873 HB ILE A 126 -29.968 23.551 -0.843 1.00 0.00 H +ATOM 1874 HG12 ILE A 126 -30.124 24.921 -2.961 1.00 0.00 H +ATOM 1875 HG13 ILE A 126 -29.822 25.868 -1.505 1.00 0.00 H +ATOM 1876 HG21 ILE A 126 -28.325 24.383 0.528 1.00 0.00 H +ATOM 1877 HG22 ILE A 126 -27.304 24.887 -0.814 1.00 0.00 H +ATOM 1878 HG23 ILE A 126 -27.346 23.197 -0.329 1.00 0.00 H +ATOM 1879 HD11 ILE A 126 -28.297 26.697 -3.148 1.00 0.00 H +ATOM 1880 HD12 ILE A 126 -27.831 25.068 -3.638 1.00 0.00 H +ATOM 1881 HD13 ILE A 126 -27.337 25.691 -2.063 1.00 0.00 H +ATOM 1882 N GLN A 127 -28.979 20.832 -0.924 1.00 0.00 N +ATOM 1883 CA GLN A 127 -28.481 19.648 -0.192 1.00 0.00 C +ATOM 1884 C GLN A 127 -27.914 18.652 -1.196 1.00 0.00 C +ATOM 1885 O GLN A 127 -26.799 18.189 -1.072 1.00 0.00 O +ATOM 1886 CB GLN A 127 -29.707 19.068 0.517 1.00 0.00 C +ATOM 1887 CG GLN A 127 -29.430 17.618 0.922 1.00 0.00 C +ATOM 1888 CD GLN A 127 -29.994 17.361 2.320 1.00 0.00 C +ATOM 1889 OE1 GLN A 127 -30.891 18.049 2.763 1.00 0.00 O +ATOM 1890 NE2 GLN A 127 -29.501 16.390 3.040 1.00 0.00 N +ATOM 1891 H GLN A 127 -29.919 21.082 -0.863 1.00 0.00 H +ATOM 1892 HA GLN A 127 -27.737 19.938 0.526 1.00 0.00 H +ATOM 1893 HB2 GLN A 127 -29.923 19.654 1.398 1.00 0.00 H +ATOM 1894 HB3 GLN A 127 -30.555 19.097 -0.151 1.00 0.00 H +ATOM 1895 HG2 GLN A 127 -29.901 16.951 0.214 1.00 0.00 H +ATOM 1896 HG3 GLN A 127 -28.365 17.443 0.928 1.00 0.00 H +ATOM 1897 HE21 GLN A 127 -28.777 15.835 2.683 1.00 0.00 H +ATOM 1898 HE22 GLN A 127 -29.855 16.217 3.937 1.00 0.00 H +ATOM 1899 N ASP A 128 -28.683 18.326 -2.194 1.00 0.00 N +ATOM 1900 CA ASP A 128 -28.209 17.363 -3.217 1.00 0.00 C +ATOM 1901 C ASP A 128 -27.076 17.967 -4.048 1.00 0.00 C +ATOM 1902 O ASP A 128 -26.076 17.327 -4.304 1.00 0.00 O +ATOM 1903 CB ASP A 128 -29.427 17.080 -4.097 1.00 0.00 C +ATOM 1904 CG ASP A 128 -29.338 15.658 -4.651 1.00 0.00 C +ATOM 1905 OD1 ASP A 128 -28.787 14.810 -3.969 1.00 0.00 O +ATOM 1906 OD2 ASP A 128 -29.822 15.440 -5.750 1.00 0.00 O +ATOM 1907 H ASP A 128 -29.576 18.715 -2.268 1.00 0.00 H +ATOM 1908 HA ASP A 128 -27.880 16.463 -2.740 1.00 0.00 H +ATOM 1909 HB2 ASP A 128 -30.328 17.186 -3.509 1.00 0.00 H +ATOM 1910 HB3 ASP A 128 -29.450 17.784 -4.915 1.00 0.00 H +ATOM 1911 N GLU A 129 -27.223 19.189 -4.480 1.00 0.00 N +ATOM 1912 CA GLU A 129 -26.156 19.813 -5.296 1.00 0.00 C +ATOM 1913 C GLU A 129 -24.894 19.967 -4.455 1.00 0.00 C +ATOM 1914 O GLU A 129 -23.816 19.566 -4.846 1.00 0.00 O +ATOM 1915 CB GLU A 129 -26.708 21.180 -5.701 1.00 0.00 C +ATOM 1916 CG GLU A 129 -25.869 21.750 -6.846 1.00 0.00 C +ATOM 1917 CD GLU A 129 -25.335 23.128 -6.452 1.00 0.00 C +ATOM 1918 OE1 GLU A 129 -24.339 23.176 -5.749 1.00 0.00 O +ATOM 1919 OE2 GLU A 129 -25.931 24.111 -6.859 1.00 0.00 O +ATOM 1920 H GLU A 129 -28.032 19.694 -4.271 1.00 0.00 H +ATOM 1921 HA GLU A 129 -25.963 19.219 -6.168 1.00 0.00 H +ATOM 1922 HB2 GLU A 129 -27.734 21.073 -6.023 1.00 0.00 H +ATOM 1923 HB3 GLU A 129 -26.663 21.851 -4.856 1.00 0.00 H +ATOM 1924 HG2 GLU A 129 -25.041 21.086 -7.051 1.00 0.00 H +ATOM 1925 HG3 GLU A 129 -26.483 21.844 -7.730 1.00 0.00 H +ATOM 1926 N ILE A 130 -25.024 20.549 -3.299 1.00 0.00 N +ATOM 1927 CA ILE A 130 -23.847 20.738 -2.425 1.00 0.00 C +ATOM 1928 C ILE A 130 -23.334 19.385 -1.912 1.00 0.00 C +ATOM 1929 O ILE A 130 -22.142 19.169 -1.804 1.00 0.00 O +ATOM 1930 CB ILE A 130 -24.350 21.639 -1.291 1.00 0.00 C +ATOM 1931 CG1 ILE A 130 -23.212 22.546 -0.832 1.00 0.00 C +ATOM 1932 CG2 ILE A 130 -24.837 20.807 -0.104 1.00 0.00 C +ATOM 1933 CD1 ILE A 130 -22.142 21.694 -0.159 1.00 0.00 C +ATOM 1934 H ILE A 130 -25.897 20.865 -3.007 1.00 0.00 H +ATOM 1935 HA ILE A 130 -23.074 21.245 -2.970 1.00 0.00 H +ATOM 1936 HB ILE A 130 -25.164 22.243 -1.656 1.00 0.00 H +ATOM 1937 HG12 ILE A 130 -22.788 23.054 -1.687 1.00 0.00 H +ATOM 1938 HG13 ILE A 130 -23.588 23.273 -0.129 1.00 0.00 H +ATOM 1939 HG21 ILE A 130 -25.065 21.466 0.721 1.00 0.00 H +ATOM 1940 HG22 ILE A 130 -24.064 20.114 0.192 1.00 0.00 H +ATOM 1941 HG23 ILE A 130 -25.724 20.261 -0.385 1.00 0.00 H +ATOM 1942 HD11 ILE A 130 -21.374 22.335 0.245 1.00 0.00 H +ATOM 1943 HD12 ILE A 130 -21.710 21.023 -0.886 1.00 0.00 H +ATOM 1944 HD13 ILE A 130 -22.592 21.121 0.639 1.00 0.00 H +ATOM 1945 N ARG A 131 -24.215 18.467 -1.603 1.00 0.00 N +ATOM 1946 CA ARG A 131 -23.750 17.145 -1.112 1.00 0.00 C +ATOM 1947 C ARG A 131 -23.012 16.417 -2.232 1.00 0.00 C +ATOM 1948 O ARG A 131 -22.013 15.761 -2.014 1.00 0.00 O +ATOM 1949 CB ARG A 131 -25.018 16.384 -0.722 1.00 0.00 C +ATOM 1950 CG ARG A 131 -24.661 14.929 -0.409 1.00 0.00 C +ATOM 1951 CD ARG A 131 -25.937 14.141 -0.104 1.00 0.00 C +ATOM 1952 NE ARG A 131 -26.015 13.107 -1.174 1.00 0.00 N +ATOM 1953 CZ ARG A 131 -26.841 13.262 -2.172 1.00 0.00 C +ATOM 1954 NH1 ARG A 131 -28.108 13.478 -1.943 1.00 0.00 N +ATOM 1955 NH2 ARG A 131 -26.401 13.200 -3.399 1.00 0.00 N +ATOM 1956 H ARG A 131 -25.172 18.642 -1.697 1.00 0.00 H +ATOM 1957 HA ARG A 131 -23.117 17.272 -0.256 1.00 0.00 H +ATOM 1958 HB2 ARG A 131 -25.460 16.843 0.150 1.00 0.00 H +ATOM 1959 HB3 ARG A 131 -25.721 16.411 -1.541 1.00 0.00 H +ATOM 1960 HG2 ARG A 131 -24.161 14.490 -1.261 1.00 0.00 H +ATOM 1961 HG3 ARG A 131 -24.006 14.895 0.448 1.00 0.00 H +ATOM 1962 HD2 ARG A 131 -25.865 13.675 0.869 1.00 0.00 H +ATOM 1963 HD3 ARG A 131 -26.799 14.788 -0.151 1.00 0.00 H +ATOM 1964 HE ARG A 131 -25.447 12.310 -1.128 1.00 0.00 H +ATOM 1965 HH11 ARG A 131 -28.445 13.525 -1.002 1.00 0.00 H +ATOM 1966 HH12 ARG A 131 -28.741 13.597 -2.707 1.00 0.00 H +ATOM 1967 HH21 ARG A 131 -25.431 13.034 -3.574 1.00 0.00 H +ATOM 1968 HH22 ARG A 131 -27.034 13.319 -4.164 1.00 0.00 H +ATOM 1969 N SER A 132 -23.503 16.530 -3.435 1.00 0.00 N +ATOM 1970 CA SER A 132 -22.846 15.854 -4.577 1.00 0.00 C +ATOM 1971 C SER A 132 -21.480 16.481 -4.846 1.00 0.00 C +ATOM 1972 O SER A 132 -20.570 15.827 -5.315 1.00 0.00 O +ATOM 1973 CB SER A 132 -23.785 16.073 -5.762 1.00 0.00 C +ATOM 1974 OG SER A 132 -23.473 15.140 -6.789 1.00 0.00 O +ATOM 1975 H SER A 132 -24.305 17.060 -3.585 1.00 0.00 H +ATOM 1976 HA SER A 132 -22.747 14.806 -4.375 1.00 0.00 H +ATOM 1977 HB2 SER A 132 -24.805 15.926 -5.448 1.00 0.00 H +ATOM 1978 HB3 SER A 132 -23.666 17.084 -6.131 1.00 0.00 H +ATOM 1979 HG SER A 132 -23.098 14.359 -6.377 1.00 0.00 H +ATOM 1980 N VAL A 133 -21.319 17.743 -4.549 1.00 0.00 N +ATOM 1981 CA VAL A 133 -20.010 18.385 -4.788 1.00 0.00 C +ATOM 1982 C VAL A 133 -18.988 17.785 -3.835 1.00 0.00 C +ATOM 1983 O VAL A 133 -18.043 17.147 -4.244 1.00 0.00 O +ATOM 1984 CB VAL A 133 -20.230 19.889 -4.520 1.00 0.00 C +ATOM 1985 CG1 VAL A 133 -19.084 20.477 -3.685 1.00 0.00 C +ATOM 1986 CG2 VAL A 133 -20.284 20.631 -5.850 1.00 0.00 C +ATOM 1987 H VAL A 133 -22.049 18.258 -4.165 1.00 0.00 H +ATOM 1988 HA VAL A 133 -19.713 18.231 -5.804 1.00 0.00 H +ATOM 1989 HB VAL A 133 -21.164 20.026 -3.995 1.00 0.00 H +ATOM 1990 HG11 VAL A 133 -19.104 21.555 -3.757 1.00 0.00 H +ATOM 1991 HG12 VAL A 133 -18.139 20.111 -4.062 1.00 0.00 H +ATOM 1992 HG13 VAL A 133 -19.201 20.181 -2.653 1.00 0.00 H +ATOM 1993 HG21 VAL A 133 -20.559 19.943 -6.634 1.00 0.00 H +ATOM 1994 HG22 VAL A 133 -19.310 21.054 -6.063 1.00 0.00 H +ATOM 1995 HG23 VAL A 133 -21.015 21.423 -5.789 1.00 0.00 H +ATOM 1996 N ILE A 134 -19.187 17.987 -2.564 1.00 0.00 N +ATOM 1997 CA ILE A 134 -18.238 17.438 -1.564 1.00 0.00 C +ATOM 1998 C ILE A 134 -18.066 15.938 -1.789 1.00 0.00 C +ATOM 1999 O ILE A 134 -17.021 15.376 -1.534 1.00 0.00 O +ATOM 2000 CB ILE A 134 -18.877 17.711 -0.200 1.00 0.00 C +ATOM 2001 CG1 ILE A 134 -19.213 19.202 -0.080 1.00 0.00 C +ATOM 2002 CG2 ILE A 134 -17.893 17.322 0.905 1.00 0.00 C +ATOM 2003 CD1 ILE A 134 -19.523 19.545 1.380 1.00 0.00 C +ATOM 2004 H ILE A 134 -19.966 18.497 -2.272 1.00 0.00 H +ATOM 2005 HA ILE A 134 -17.293 17.943 -1.633 1.00 0.00 H +ATOM 2006 HB ILE A 134 -19.780 17.126 -0.101 1.00 0.00 H +ATOM 2007 HG12 ILE A 134 -18.370 19.789 -0.417 1.00 0.00 H +ATOM 2008 HG13 ILE A 134 -20.075 19.429 -0.689 1.00 0.00 H +ATOM 2009 HG21 ILE A 134 -17.262 18.167 1.139 1.00 0.00 H +ATOM 2010 HG22 ILE A 134 -17.280 16.498 0.568 1.00 0.00 H +ATOM 2011 HG23 ILE A 134 -18.440 17.026 1.788 1.00 0.00 H +ATOM 2012 HD11 ILE A 134 -20.399 19.000 1.699 1.00 0.00 H +ATOM 2013 HD12 ILE A 134 -19.706 20.605 1.470 1.00 0.00 H +ATOM 2014 HD13 ILE A 134 -18.682 19.270 2.000 1.00 0.00 H +ATOM 2015 N ARG A 135 -19.088 15.286 -2.267 1.00 0.00 N +ATOM 2016 CA ARG A 135 -18.990 13.828 -2.509 1.00 0.00 C +ATOM 2017 C ARG A 135 -18.004 13.542 -3.642 1.00 0.00 C +ATOM 2018 O ARG A 135 -17.165 12.669 -3.538 1.00 0.00 O +ATOM 2019 CB ARG A 135 -20.402 13.392 -2.899 1.00 0.00 C +ATOM 2020 CG ARG A 135 -20.521 11.873 -2.769 1.00 0.00 C +ATOM 2021 CD ARG A 135 -20.642 11.496 -1.291 1.00 0.00 C +ATOM 2022 NE ARG A 135 -22.103 11.321 -1.058 1.00 0.00 N +ATOM 2023 CZ ARG A 135 -22.523 10.697 0.007 1.00 0.00 C +ATOM 2024 NH1 ARG A 135 -21.979 9.564 0.357 1.00 0.00 N +ATOM 2025 NH2 ARG A 135 -23.489 11.205 0.722 1.00 0.00 N +ATOM 2026 H ARG A 135 -19.920 15.756 -2.466 1.00 0.00 H +ATOM 2027 HA ARG A 135 -18.686 13.326 -1.609 1.00 0.00 H +ATOM 2028 HB2 ARG A 135 -21.119 13.867 -2.245 1.00 0.00 H +ATOM 2029 HB3 ARG A 135 -20.600 13.681 -3.920 1.00 0.00 H +ATOM 2030 HG2 ARG A 135 -21.398 11.534 -3.302 1.00 0.00 H +ATOM 2031 HG3 ARG A 135 -19.642 11.406 -3.187 1.00 0.00 H +ATOM 2032 HD2 ARG A 135 -20.114 10.572 -1.096 1.00 0.00 H +ATOM 2033 HD3 ARG A 135 -20.260 12.289 -0.668 1.00 0.00 H +ATOM 2034 HE ARG A 135 -22.748 11.675 -1.705 1.00 0.00 H +ATOM 2035 HH11 ARG A 135 -21.239 9.174 -0.191 1.00 0.00 H +ATOM 2036 HH12 ARG A 135 -22.301 9.086 1.174 1.00 0.00 H +ATOM 2037 HH21 ARG A 135 -23.906 12.073 0.454 1.00 0.00 H +ATOM 2038 HH22 ARG A 135 -23.812 10.727 1.539 1.00 0.00 H +ATOM 2039 N GLN A 136 -18.096 14.260 -4.730 1.00 0.00 N +ATOM 2040 CA GLN A 136 -17.163 14.004 -5.854 1.00 0.00 C +ATOM 2041 C GLN A 136 -15.732 14.389 -5.460 1.00 0.00 C +ATOM 2042 O GLN A 136 -14.777 13.761 -5.875 1.00 0.00 O +ATOM 2043 CB GLN A 136 -17.686 14.854 -7.021 1.00 0.00 C +ATOM 2044 CG GLN A 136 -17.048 16.246 -7.008 1.00 0.00 C +ATOM 2045 CD GLN A 136 -17.882 17.186 -7.875 1.00 0.00 C +ATOM 2046 OE1 GLN A 136 -18.198 16.871 -9.005 1.00 0.00 O +ATOM 2047 NE2 GLN A 136 -18.256 18.334 -7.390 1.00 0.00 N +ATOM 2048 H GLN A 136 -18.778 14.956 -4.810 1.00 0.00 H +ATOM 2049 HA GLN A 136 -17.204 12.965 -6.120 1.00 0.00 H +ATOM 2050 HB2 GLN A 136 -17.449 14.362 -7.953 1.00 0.00 H +ATOM 2051 HB3 GLN A 136 -18.758 14.953 -6.934 1.00 0.00 H +ATOM 2052 HG2 GLN A 136 -17.017 16.620 -5.996 1.00 0.00 H +ATOM 2053 HG3 GLN A 136 -16.047 16.190 -7.405 1.00 0.00 H +ATOM 2054 HE21 GLN A 136 -17.999 18.589 -6.480 1.00 0.00 H +ATOM 2055 HE22 GLN A 136 -18.804 18.937 -7.930 1.00 0.00 H +ATOM 2056 N ILE A 137 -15.570 15.403 -4.651 1.00 0.00 N +ATOM 2057 CA ILE A 137 -14.194 15.791 -4.237 1.00 0.00 C +ATOM 2058 C ILE A 137 -13.625 14.699 -3.330 1.00 0.00 C +ATOM 2059 O ILE A 137 -12.567 14.154 -3.575 1.00 0.00 O +ATOM 2060 CB ILE A 137 -14.294 17.110 -3.444 1.00 0.00 C +ATOM 2061 CG1 ILE A 137 -15.629 17.828 -3.674 1.00 0.00 C +ATOM 2062 CG2 ILE A 137 -13.141 18.036 -3.854 1.00 0.00 C +ATOM 2063 CD1 ILE A 137 -15.543 19.268 -3.161 1.00 0.00 C +ATOM 2064 H ILE A 137 -16.342 15.888 -4.305 1.00 0.00 H +ATOM 2065 HA ILE A 137 -13.565 15.926 -5.103 1.00 0.00 H +ATOM 2066 HB ILE A 137 -14.207 16.873 -2.402 1.00 0.00 H +ATOM 2067 HG12 ILE A 137 -15.868 17.827 -4.725 1.00 0.00 H +ATOM 2068 HG13 ILE A 137 -16.398 17.308 -3.128 1.00 0.00 H +ATOM 2069 HG21 ILE A 137 -13.538 18.956 -4.266 1.00 0.00 H +ATOM 2070 HG22 ILE A 137 -12.533 17.544 -4.599 1.00 0.00 H +ATOM 2071 HG23 ILE A 137 -12.537 18.262 -2.989 1.00 0.00 H +ATOM 2072 HD11 ILE A 137 -14.858 19.828 -3.778 1.00 0.00 H +ATOM 2073 HD12 ILE A 137 -15.189 19.266 -2.140 1.00 0.00 H +ATOM 2074 HD13 ILE A 137 -16.521 19.724 -3.202 1.00 0.00 H +ATOM 2075 N THR A 138 -14.322 14.400 -2.264 1.00 0.00 N +ATOM 2076 CA THR A 138 -13.841 13.372 -1.303 1.00 0.00 C +ATOM 2077 C THR A 138 -13.849 11.983 -1.950 1.00 0.00 C +ATOM 2078 O THR A 138 -13.082 11.112 -1.582 1.00 0.00 O +ATOM 2079 CB THR A 138 -14.832 13.443 -0.133 1.00 0.00 C +ATOM 2080 OG1 THR A 138 -15.354 14.760 -0.048 1.00 0.00 O +ATOM 2081 CG2 THR A 138 -14.123 13.098 1.182 1.00 0.00 C +ATOM 2082 H THR A 138 -15.156 14.871 -2.084 1.00 0.00 H +ATOM 2083 HA THR A 138 -12.856 13.624 -0.960 1.00 0.00 H +ATOM 2084 HB THR A 138 -15.643 12.749 -0.302 1.00 0.00 H +ATOM 2085 HG1 THR A 138 -16.311 14.698 -0.012 1.00 0.00 H +ATOM 2086 HG21 THR A 138 -13.063 12.995 1.007 1.00 0.00 H +ATOM 2087 HG22 THR A 138 -14.516 12.172 1.574 1.00 0.00 H +ATOM 2088 HG23 THR A 138 -14.292 13.891 1.899 1.00 0.00 H +ATOM 2089 N ALA A 139 -14.703 11.770 -2.915 1.00 0.00 N +ATOM 2090 CA ALA A 139 -14.754 10.447 -3.582 1.00 0.00 C +ATOM 2091 C ALA A 139 -13.426 10.180 -4.286 1.00 0.00 C +ATOM 2092 O ALA A 139 -12.784 9.171 -4.069 1.00 0.00 O +ATOM 2093 CB ALA A 139 -15.892 10.553 -4.598 1.00 0.00 C +ATOM 2094 H ALA A 139 -15.304 12.478 -3.204 1.00 0.00 H +ATOM 2095 HA ALA A 139 -14.968 9.677 -2.865 1.00 0.00 H +ATOM 2096 HB1 ALA A 139 -15.686 9.906 -5.438 1.00 0.00 H +ATOM 2097 HB2 ALA A 139 -15.974 11.574 -4.941 1.00 0.00 H +ATOM 2098 HB3 ALA A 139 -16.819 10.254 -4.132 1.00 0.00 H +ATOM 2099 N THR A 140 -13.005 11.086 -5.124 1.00 0.00 N +ATOM 2100 CA THR A 140 -11.716 10.892 -5.835 1.00 0.00 C +ATOM 2101 C THR A 140 -10.578 10.794 -4.818 1.00 0.00 C +ATOM 2102 O THR A 140 -9.673 9.994 -4.958 1.00 0.00 O +ATOM 2103 CB THR A 140 -11.546 12.129 -6.718 1.00 0.00 C +ATOM 2104 OG1 THR A 140 -12.621 12.200 -7.645 1.00 0.00 O +ATOM 2105 CG2 THR A 140 -10.220 12.034 -7.475 1.00 0.00 C +ATOM 2106 H THR A 140 -13.534 11.892 -5.279 1.00 0.00 H +ATOM 2107 HA THR A 140 -11.760 10.009 -6.444 1.00 0.00 H +ATOM 2108 HB THR A 140 -11.541 13.015 -6.102 1.00 0.00 H +ATOM 2109 HG1 THR A 140 -12.814 11.308 -7.943 1.00 0.00 H +ATOM 2110 HG21 THR A 140 -10.137 11.060 -7.936 1.00 0.00 H +ATOM 2111 HG22 THR A 140 -9.401 12.176 -6.785 1.00 0.00 H +ATOM 2112 HG23 THR A 140 -10.185 12.797 -8.238 1.00 0.00 H +ATOM 2113 N VAL A 141 -10.624 11.597 -3.789 1.00 0.00 N +ATOM 2114 CA VAL A 141 -9.551 11.544 -2.756 1.00 0.00 C +ATOM 2115 C VAL A 141 -9.284 10.089 -2.370 1.00 0.00 C +ATOM 2116 O VAL A 141 -8.231 9.550 -2.644 1.00 0.00 O +ATOM 2117 CB VAL A 141 -10.104 12.327 -1.565 1.00 0.00 C +ATOM 2118 CG1 VAL A 141 -9.292 11.994 -0.311 1.00 0.00 C +ATOM 2119 CG2 VAL A 141 -10.002 13.827 -1.851 1.00 0.00 C +ATOM 2120 H VAL A 141 -11.366 12.229 -3.694 1.00 0.00 H +ATOM 2121 HA VAL A 141 -8.650 12.011 -3.121 1.00 0.00 H +ATOM 2122 HB VAL A 141 -11.139 12.059 -1.405 1.00 0.00 H +ATOM 2123 HG11 VAL A 141 -9.124 12.896 0.259 1.00 0.00 H +ATOM 2124 HG12 VAL A 141 -8.343 11.568 -0.600 1.00 0.00 H +ATOM 2125 HG13 VAL A 141 -9.837 11.283 0.292 1.00 0.00 H +ATOM 2126 HG21 VAL A 141 -10.307 14.382 -0.976 1.00 0.00 H +ATOM 2127 HG22 VAL A 141 -10.646 14.080 -2.680 1.00 0.00 H +ATOM 2128 HG23 VAL A 141 -8.981 14.078 -2.098 1.00 0.00 H +ATOM 2129 N THR A 142 -10.233 9.442 -1.747 1.00 0.00 N +ATOM 2130 CA THR A 142 -10.021 8.021 -1.366 1.00 0.00 C +ATOM 2131 C THR A 142 -9.437 7.266 -2.558 1.00 0.00 C +ATOM 2132 O THR A 142 -8.477 6.531 -2.442 1.00 0.00 O +ATOM 2133 CB THR A 142 -11.411 7.487 -1.020 1.00 0.00 C +ATOM 2134 OG1 THR A 142 -12.386 8.181 -1.785 1.00 0.00 O +ATOM 2135 CG2 THR A 142 -11.685 7.695 0.471 1.00 0.00 C +ATOM 2136 H THR A 142 -11.081 9.886 -1.539 1.00 0.00 H +ATOM 2137 HA THR A 142 -9.371 7.952 -0.514 1.00 0.00 H +ATOM 2138 HB THR A 142 -11.456 6.434 -1.247 1.00 0.00 H +ATOM 2139 HG1 THR A 142 -12.449 7.754 -2.643 1.00 0.00 H +ATOM 2140 HG21 THR A 142 -10.922 8.333 0.891 1.00 0.00 H +ATOM 2141 HG22 THR A 142 -11.674 6.740 0.975 1.00 0.00 H +ATOM 2142 HG23 THR A 142 -12.652 8.159 0.598 1.00 0.00 H +ATOM 2143 N PHE A 143 -10.010 7.466 -3.709 1.00 0.00 N +ATOM 2144 CA PHE A 143 -9.502 6.792 -4.936 1.00 0.00 C +ATOM 2145 C PHE A 143 -8.070 7.259 -5.228 1.00 0.00 C +ATOM 2146 O PHE A 143 -7.292 6.561 -5.847 1.00 0.00 O +ATOM 2147 CB PHE A 143 -10.482 7.234 -6.035 1.00 0.00 C +ATOM 2148 CG PHE A 143 -9.776 7.337 -7.369 1.00 0.00 C +ATOM 2149 CD1 PHE A 143 -9.140 8.532 -7.724 1.00 0.00 C +ATOM 2150 CD2 PHE A 143 -9.762 6.248 -8.248 1.00 0.00 C +ATOM 2151 CE1 PHE A 143 -8.488 8.640 -8.956 1.00 0.00 C +ATOM 2152 CE2 PHE A 143 -9.109 6.356 -9.482 1.00 0.00 C +ATOM 2153 CZ PHE A 143 -8.472 7.553 -9.835 1.00 0.00 C +ATOM 2154 H PHE A 143 -10.774 8.076 -3.770 1.00 0.00 H +ATOM 2155 HA PHE A 143 -9.535 5.720 -4.820 1.00 0.00 H +ATOM 2156 HB2 PHE A 143 -11.287 6.519 -6.109 1.00 0.00 H +ATOM 2157 HB3 PHE A 143 -10.885 8.203 -5.778 1.00 0.00 H +ATOM 2158 HD1 PHE A 143 -9.152 9.372 -7.044 1.00 0.00 H +ATOM 2159 HD2 PHE A 143 -10.253 5.326 -7.974 1.00 0.00 H +ATOM 2160 HE1 PHE A 143 -7.997 9.563 -9.228 1.00 0.00 H +ATOM 2161 HE2 PHE A 143 -9.097 5.517 -10.162 1.00 0.00 H +ATOM 2162 HZ PHE A 143 -7.970 7.639 -10.786 1.00 0.00 H +ATOM 2163 N LEU A 144 -7.723 8.437 -4.789 1.00 0.00 N +ATOM 2164 CA LEU A 144 -6.353 8.955 -5.040 1.00 0.00 C +ATOM 2165 C LEU A 144 -5.319 8.128 -4.270 1.00 0.00 C +ATOM 2166 O LEU A 144 -5.543 7.754 -3.135 1.00 0.00 O +ATOM 2167 CB LEU A 144 -6.375 10.397 -4.533 1.00 0.00 C +ATOM 2168 CG LEU A 144 -5.393 11.239 -5.348 1.00 0.00 C +ATOM 2169 CD1 LEU A 144 -5.733 11.125 -6.835 1.00 0.00 C +ATOM 2170 CD2 LEU A 144 -5.495 12.702 -4.912 1.00 0.00 C +ATOM 2171 H LEU A 144 -8.364 8.983 -4.298 1.00 0.00 H +ATOM 2172 HA LEU A 144 -6.143 8.940 -6.091 1.00 0.00 H +ATOM 2173 HB2 LEU A 144 -7.372 10.800 -4.640 1.00 0.00 H +ATOM 2174 HB3 LEU A 144 -6.088 10.418 -3.492 1.00 0.00 H +ATOM 2175 HG LEU A 144 -4.387 10.881 -5.181 1.00 0.00 H +ATOM 2176 HD11 LEU A 144 -5.345 10.196 -7.223 1.00 0.00 H +ATOM 2177 HD12 LEU A 144 -5.290 11.952 -7.370 1.00 0.00 H +ATOM 2178 HD13 LEU A 144 -6.806 11.148 -6.962 1.00 0.00 H +ATOM 2179 HD21 LEU A 144 -4.616 12.971 -4.345 1.00 0.00 H +ATOM 2180 HD22 LEU A 144 -6.373 12.834 -4.297 1.00 0.00 H +ATOM 2181 HD23 LEU A 144 -5.568 13.334 -5.784 1.00 0.00 H +ATOM 2182 N PRO A 145 -4.215 7.870 -4.918 1.00 0.00 N +ATOM 2183 CA PRO A 145 -3.128 7.080 -4.290 1.00 0.00 C +ATOM 2184 C PRO A 145 -2.362 7.929 -3.272 1.00 0.00 C +ATOM 2185 O PRO A 145 -1.151 8.021 -3.312 1.00 0.00 O +ATOM 2186 CB PRO A 145 -2.233 6.704 -5.466 1.00 0.00 C +ATOM 2187 CG PRO A 145 -2.483 7.756 -6.502 1.00 0.00 C +ATOM 2188 CD PRO A 145 -3.879 8.285 -6.284 1.00 0.00 C +ATOM 2189 HA PRO A 145 -3.523 6.192 -3.825 1.00 0.00 H +ATOM 2190 HB2 PRO A 145 -1.195 6.710 -5.163 1.00 0.00 H +ATOM 2191 HB3 PRO A 145 -2.507 5.734 -5.853 1.00 0.00 H +ATOM 2192 HG2 PRO A 145 -1.763 8.555 -6.393 1.00 0.00 H +ATOM 2193 HG3 PRO A 145 -2.409 7.325 -7.489 1.00 0.00 H +ATOM 2194 HD2 PRO A 145 -3.891 9.363 -6.368 1.00 0.00 H +ATOM 2195 HD3 PRO A 145 -4.567 7.841 -6.986 1.00 0.00 H +ATOM 2196 N LEU A 146 -3.061 8.542 -2.357 1.00 0.00 N +ATOM 2197 CA LEU A 146 -2.385 9.384 -1.325 1.00 0.00 C +ATOM 2198 C LEU A 146 -1.227 10.177 -1.942 1.00 0.00 C +ATOM 2199 O LEU A 146 -0.075 9.814 -1.810 1.00 0.00 O +ATOM 2200 CB LEU A 146 -1.860 8.388 -0.289 1.00 0.00 C +ATOM 2201 CG LEU A 146 -1.761 9.074 1.074 1.00 0.00 C +ATOM 2202 CD1 LEU A 146 -3.166 9.341 1.617 1.00 0.00 C +ATOM 2203 CD2 LEU A 146 -1.004 8.166 2.046 1.00 0.00 C +ATOM 2204 H LEU A 146 -4.036 8.444 -2.344 1.00 0.00 H +ATOM 2205 HA LEU A 146 -3.093 10.052 -0.863 1.00 0.00 H +ATOM 2206 HB2 LEU A 146 -2.536 7.548 -0.223 1.00 0.00 H +ATOM 2207 HB3 LEU A 146 -0.882 8.041 -0.587 1.00 0.00 H +ATOM 2208 HG LEU A 146 -1.233 10.010 0.968 1.00 0.00 H +ATOM 2209 HD11 LEU A 146 -3.737 9.891 0.884 1.00 0.00 H +ATOM 2210 HD12 LEU A 146 -3.097 9.919 2.527 1.00 0.00 H +ATOM 2211 HD13 LEU A 146 -3.657 8.401 1.824 1.00 0.00 H +ATOM 2212 HD21 LEU A 146 -1.297 7.139 1.882 1.00 0.00 H +ATOM 2213 HD22 LEU A 146 -1.240 8.449 3.061 1.00 0.00 H +ATOM 2214 HD23 LEU A 146 0.058 8.268 1.881 1.00 0.00 H +ATOM 2215 N LEU A 147 -1.524 11.260 -2.608 1.00 0.00 N +ATOM 2216 CA LEU A 147 -0.440 12.078 -3.227 1.00 0.00 C +ATOM 2217 C LEU A 147 -0.533 13.525 -2.731 1.00 0.00 C +ATOM 2218 O LEU A 147 -1.423 13.872 -1.979 1.00 0.00 O +ATOM 2219 CB LEU A 147 -0.699 12.005 -4.733 1.00 0.00 C +ATOM 2220 CG LEU A 147 0.627 12.112 -5.488 1.00 0.00 C +ATOM 2221 CD1 LEU A 147 1.588 11.032 -4.988 1.00 0.00 C +ATOM 2222 CD2 LEU A 147 0.379 11.915 -6.985 1.00 0.00 C +ATOM 2223 H LEU A 147 -2.459 11.537 -2.699 1.00 0.00 H +ATOM 2224 HA LEU A 147 0.527 11.660 -2.997 1.00 0.00 H +ATOM 2225 HB2 LEU A 147 -1.174 11.064 -4.970 1.00 0.00 H +ATOM 2226 HB3 LEU A 147 -1.345 12.819 -5.027 1.00 0.00 H +ATOM 2227 HG LEU A 147 1.061 13.086 -5.319 1.00 0.00 H +ATOM 2228 HD11 LEU A 147 1.946 10.452 -5.826 1.00 0.00 H +ATOM 2229 HD12 LEU A 147 1.071 10.383 -4.295 1.00 0.00 H +ATOM 2230 HD13 LEU A 147 2.425 11.497 -4.489 1.00 0.00 H +ATOM 2231 HD21 LEU A 147 -0.602 12.290 -7.240 1.00 0.00 H +ATOM 2232 HD22 LEU A 147 0.435 10.863 -7.224 1.00 0.00 H +ATOM 2233 HD23 LEU A 147 1.127 12.453 -7.548 1.00 0.00 H +ATOM 2234 N GLU A 148 0.371 14.373 -3.144 1.00 0.00 N +ATOM 2235 CA GLU A 148 0.321 15.789 -2.692 1.00 0.00 C +ATOM 2236 C GLU A 148 1.472 16.593 -3.303 1.00 0.00 C +ATOM 2237 O GLU A 148 1.261 17.585 -3.971 1.00 0.00 O +ATOM 2238 CB GLU A 148 0.458 15.725 -1.170 1.00 0.00 C +ATOM 2239 CG GLU A 148 -0.289 16.902 -0.541 1.00 0.00 C +ATOM 2240 CD GLU A 148 -1.758 16.526 -0.339 1.00 0.00 C +ATOM 2241 OE1 GLU A 148 -2.499 16.572 -1.307 1.00 0.00 O +ATOM 2242 OE2 GLU A 148 -2.118 16.197 0.780 1.00 0.00 O +ATOM 2243 H GLU A 148 1.075 14.083 -3.750 1.00 0.00 H +ATOM 2244 HA GLU A 148 -0.619 16.224 -2.958 1.00 0.00 H +ATOM 2245 HB2 GLU A 148 0.039 14.797 -0.809 1.00 0.00 H +ATOM 2246 HB3 GLU A 148 1.501 15.778 -0.901 1.00 0.00 H +ATOM 2247 HG2 GLU A 148 0.157 17.141 0.414 1.00 0.00 H +ATOM 2248 HG3 GLU A 148 -0.225 17.758 -1.193 1.00 0.00 H +ATOM 2249 N VAL A 149 2.684 16.168 -3.070 1.00 0.00 N +ATOM 2250 CA VAL A 149 3.874 16.891 -3.622 1.00 0.00 C +ATOM 2251 C VAL A 149 3.720 18.408 -3.461 1.00 0.00 C +ATOM 2252 O VAL A 149 2.787 18.890 -2.851 1.00 0.00 O +ATOM 2253 CB VAL A 149 3.938 16.503 -5.108 1.00 0.00 C +ATOM 2254 CG1 VAL A 149 3.669 15.006 -5.257 1.00 0.00 C +ATOM 2255 CG2 VAL A 149 2.889 17.279 -5.915 1.00 0.00 C +ATOM 2256 H VAL A 149 2.814 15.367 -2.524 1.00 0.00 H +ATOM 2257 HA VAL A 149 4.771 16.558 -3.124 1.00 0.00 H +ATOM 2258 HB VAL A 149 4.924 16.726 -5.491 1.00 0.00 H +ATOM 2259 HG11 VAL A 149 4.226 14.464 -4.508 1.00 0.00 H +ATOM 2260 HG12 VAL A 149 3.976 14.682 -6.240 1.00 0.00 H +ATOM 2261 HG13 VAL A 149 2.613 14.817 -5.129 1.00 0.00 H +ATOM 2262 HG21 VAL A 149 3.159 17.262 -6.960 1.00 0.00 H +ATOM 2263 HG22 VAL A 149 2.846 18.301 -5.574 1.00 0.00 H +ATOM 2264 HG23 VAL A 149 1.923 16.815 -5.788 1.00 0.00 H +ATOM 2265 N SER A 150 4.630 19.164 -4.014 1.00 0.00 N +ATOM 2266 CA SER A 150 4.531 20.648 -3.909 1.00 0.00 C +ATOM 2267 C SER A 150 3.714 21.176 -5.089 1.00 0.00 C +ATOM 2268 O SER A 150 3.811 20.670 -6.189 1.00 0.00 O +ATOM 2269 CB SER A 150 5.970 21.152 -3.974 1.00 0.00 C +ATOM 2270 OG SER A 150 5.964 22.527 -4.325 1.00 0.00 O +ATOM 2271 H SER A 150 5.372 18.756 -4.507 1.00 0.00 H +ATOM 2272 HA SER A 150 4.075 20.932 -2.972 1.00 0.00 H +ATOM 2273 HB2 SER A 150 6.440 21.034 -3.011 1.00 0.00 H +ATOM 2274 HB3 SER A 150 6.519 20.582 -4.712 1.00 0.00 H +ATOM 2275 HG SER A 150 5.610 23.022 -3.582 1.00 0.00 H +ATOM 2276 N CYS A 151 2.897 22.172 -4.874 1.00 0.00 N +ATOM 2277 CA CYS A 151 2.061 22.691 -6.000 1.00 0.00 C +ATOM 2278 C CYS A 151 1.702 24.173 -5.820 1.00 0.00 C +ATOM 2279 O CYS A 151 2.079 24.818 -4.855 1.00 0.00 O +ATOM 2280 CB CYS A 151 0.777 21.856 -5.945 1.00 0.00 C +ATOM 2281 SG CYS A 151 1.158 20.099 -6.159 1.00 0.00 S +ATOM 2282 H CYS A 151 2.823 22.563 -3.982 1.00 0.00 H +ATOM 2283 HA CYS A 151 2.561 22.533 -6.943 1.00 0.00 H +ATOM 2284 HB2 CYS A 151 0.303 22.001 -4.987 1.00 0.00 H +ATOM 2285 HB3 CYS A 151 0.106 22.176 -6.727 1.00 0.00 H +ATOM 2286 HG CYS A 151 1.541 19.777 -5.339 1.00 0.00 H +ATOM 2287 N SER A 152 0.946 24.699 -6.753 1.00 0.00 N +ATOM 2288 CA SER A 152 0.509 26.123 -6.680 1.00 0.00 C +ATOM 2289 C SER A 152 -1.021 26.176 -6.582 1.00 0.00 C +ATOM 2290 O SER A 152 -1.710 25.301 -7.074 1.00 0.00 O +ATOM 2291 CB SER A 152 0.986 26.755 -7.988 1.00 0.00 C +ATOM 2292 OG SER A 152 -0.008 27.652 -8.465 1.00 0.00 O +ATOM 2293 H SER A 152 0.651 24.142 -7.503 1.00 0.00 H +ATOM 2294 HA SER A 152 0.963 26.618 -5.837 1.00 0.00 H +ATOM 2295 HB2 SER A 152 1.900 27.298 -7.815 1.00 0.00 H +ATOM 2296 HB3 SER A 152 1.165 25.977 -8.719 1.00 0.00 H +ATOM 2297 HG SER A 152 0.256 27.950 -9.339 1.00 0.00 H +ATOM 2298 N PHE A 153 -1.554 27.182 -5.941 1.00 0.00 N +ATOM 2299 CA PHE A 153 -3.037 27.282 -5.791 1.00 0.00 C +ATOM 2300 C PHE A 153 -3.506 28.720 -6.060 1.00 0.00 C +ATOM 2301 O PHE A 153 -2.989 29.664 -5.500 1.00 0.00 O +ATOM 2302 CB PHE A 153 -3.282 26.908 -4.326 1.00 0.00 C +ATOM 2303 CG PHE A 153 -4.615 26.212 -4.164 1.00 0.00 C +ATOM 2304 CD1 PHE A 153 -4.697 24.821 -4.298 1.00 0.00 C +ATOM 2305 CD2 PHE A 153 -5.762 26.953 -3.859 1.00 0.00 C +ATOM 2306 CE1 PHE A 153 -5.925 24.171 -4.127 1.00 0.00 C +ATOM 2307 CE2 PHE A 153 -6.991 26.304 -3.690 1.00 0.00 C +ATOM 2308 CZ PHE A 153 -7.072 24.913 -3.822 1.00 0.00 C +ATOM 2309 H PHE A 153 -0.978 27.868 -5.544 1.00 0.00 H +ATOM 2310 HA PHE A 153 -3.538 26.585 -6.442 1.00 0.00 H +ATOM 2311 HB2 PHE A 153 -2.496 26.245 -3.995 1.00 0.00 H +ATOM 2312 HB3 PHE A 153 -3.267 27.803 -3.721 1.00 0.00 H +ATOM 2313 HD1 PHE A 153 -3.812 24.248 -4.533 1.00 0.00 H +ATOM 2314 HD2 PHE A 153 -5.702 28.024 -3.760 1.00 0.00 H +ATOM 2315 HE1 PHE A 153 -5.987 23.098 -4.229 1.00 0.00 H +ATOM 2316 HE2 PHE A 153 -7.874 26.877 -3.450 1.00 0.00 H +ATOM 2317 HZ PHE A 153 -8.020 24.412 -3.689 1.00 0.00 H +ATOM 2318 N ASP A 154 -4.484 28.895 -6.905 1.00 0.00 N +ATOM 2319 CA ASP A 154 -4.984 30.274 -7.195 1.00 0.00 C +ATOM 2320 C ASP A 154 -6.515 30.258 -7.294 1.00 0.00 C +ATOM 2321 O ASP A 154 -7.089 29.423 -7.965 1.00 0.00 O +ATOM 2322 CB ASP A 154 -4.377 30.643 -8.550 1.00 0.00 C +ATOM 2323 CG ASP A 154 -4.235 32.163 -8.652 1.00 0.00 C +ATOM 2324 OD1 ASP A 154 -5.167 32.852 -8.273 1.00 0.00 O +ATOM 2325 OD2 ASP A 154 -3.195 32.610 -9.108 1.00 0.00 O +ATOM 2326 H ASP A 154 -4.895 28.121 -7.346 1.00 0.00 H +ATOM 2327 HA ASP A 154 -4.648 30.973 -6.433 1.00 0.00 H +ATOM 2328 HB2 ASP A 154 -3.406 30.181 -8.649 1.00 0.00 H +ATOM 2329 HB3 ASP A 154 -5.025 30.293 -9.341 1.00 0.00 H +ATOM 2330 N LEU A 155 -7.183 31.169 -6.640 1.00 0.00 N +ATOM 2331 CA LEU A 155 -8.676 31.194 -6.712 1.00 0.00 C +ATOM 2332 C LEU A 155 -9.137 32.335 -7.624 1.00 0.00 C +ATOM 2333 O LEU A 155 -8.707 33.460 -7.483 1.00 0.00 O +ATOM 2334 CB LEU A 155 -9.138 31.433 -5.275 1.00 0.00 C +ATOM 2335 CG LEU A 155 -10.645 31.692 -5.261 1.00 0.00 C +ATOM 2336 CD1 LEU A 155 -11.361 30.599 -6.057 1.00 0.00 C +ATOM 2337 CD2 LEU A 155 -11.146 31.681 -3.817 1.00 0.00 C +ATOM 2338 H LEU A 155 -6.707 31.838 -6.105 1.00 0.00 H +ATOM 2339 HA LEU A 155 -9.052 30.248 -7.069 1.00 0.00 H +ATOM 2340 HB2 LEU A 155 -8.916 30.562 -4.675 1.00 0.00 H +ATOM 2341 HB3 LEU A 155 -8.624 32.291 -4.870 1.00 0.00 H +ATOM 2342 HG LEU A 155 -10.849 32.655 -5.708 1.00 0.00 H +ATOM 2343 HD11 LEU A 155 -10.836 29.663 -5.936 1.00 0.00 H +ATOM 2344 HD12 LEU A 155 -11.378 30.869 -7.103 1.00 0.00 H +ATOM 2345 HD13 LEU A 155 -12.373 30.495 -5.695 1.00 0.00 H +ATOM 2346 HD21 LEU A 155 -11.857 32.482 -3.677 1.00 0.00 H +ATOM 2347 HD22 LEU A 155 -10.312 31.818 -3.145 1.00 0.00 H +ATOM 2348 HD23 LEU A 155 -11.624 30.735 -3.609 1.00 0.00 H +ATOM 2349 N LEU A 156 -10.001 32.058 -8.566 1.00 0.00 N +ATOM 2350 CA LEU A 156 -10.463 33.142 -9.483 1.00 0.00 C +ATOM 2351 C LEU A 156 -11.943 33.461 -9.287 1.00 0.00 C +ATOM 2352 O LEU A 156 -12.739 32.607 -8.948 1.00 0.00 O +ATOM 2353 CB LEU A 156 -10.238 32.602 -10.888 1.00 0.00 C +ATOM 2354 CG LEU A 156 -8.850 33.005 -11.366 1.00 0.00 C +ATOM 2355 CD1 LEU A 156 -8.382 32.018 -12.425 1.00 0.00 C +ATOM 2356 CD2 LEU A 156 -8.914 34.410 -11.968 1.00 0.00 C +ATOM 2357 H LEU A 156 -10.335 31.142 -8.677 1.00 0.00 H +ATOM 2358 HA LEU A 156 -9.868 34.027 -9.340 1.00 0.00 H +ATOM 2359 HB2 LEU A 156 -10.320 31.526 -10.878 1.00 0.00 H +ATOM 2360 HB3 LEU A 156 -10.980 33.013 -11.555 1.00 0.00 H +ATOM 2361 HG LEU A 156 -8.164 32.996 -10.533 1.00 0.00 H +ATOM 2362 HD11 LEU A 156 -7.521 32.420 -12.934 1.00 0.00 H +ATOM 2363 HD12 LEU A 156 -9.179 31.852 -13.135 1.00 0.00 H +ATOM 2364 HD13 LEU A 156 -8.121 31.084 -11.951 1.00 0.00 H +ATOM 2365 HD21 LEU A 156 -8.103 34.539 -12.670 1.00 0.00 H +ATOM 2366 HD22 LEU A 156 -8.831 35.144 -11.181 1.00 0.00 H +ATOM 2367 HD23 LEU A 156 -9.856 34.538 -12.480 1.00 0.00 H +ATOM 2368 N ILE A 157 -12.311 34.691 -9.531 1.00 0.00 N +ATOM 2369 CA ILE A 157 -13.737 35.097 -9.392 1.00 0.00 C +ATOM 2370 C ILE A 157 -14.204 35.773 -10.683 1.00 0.00 C +ATOM 2371 O ILE A 157 -13.918 36.926 -10.938 1.00 0.00 O +ATOM 2372 CB ILE A 157 -13.765 36.080 -8.226 1.00 0.00 C +ATOM 2373 CG1 ILE A 157 -13.210 35.394 -6.977 1.00 0.00 C +ATOM 2374 CG2 ILE A 157 -15.206 36.523 -7.967 1.00 0.00 C +ATOM 2375 CD1 ILE A 157 -12.513 36.431 -6.098 1.00 0.00 C +ATOM 2376 H ILE A 157 -11.645 35.347 -9.825 1.00 0.00 H +ATOM 2377 HA ILE A 157 -14.354 34.240 -9.170 1.00 0.00 H +ATOM 2378 HB ILE A 157 -13.160 36.942 -8.466 1.00 0.00 H +ATOM 2379 HG12 ILE A 157 -14.021 34.939 -6.426 1.00 0.00 H +ATOM 2380 HG13 ILE A 157 -12.500 34.635 -7.267 1.00 0.00 H +ATOM 2381 HG21 ILE A 157 -15.478 36.285 -6.950 1.00 0.00 H +ATOM 2382 HG22 ILE A 157 -15.868 36.007 -8.648 1.00 0.00 H +ATOM 2383 HG23 ILE A 157 -15.288 37.588 -8.123 1.00 0.00 H +ATOM 2384 HD11 ILE A 157 -11.713 36.896 -6.656 1.00 0.00 H +ATOM 2385 HD12 ILE A 157 -12.110 35.946 -5.223 1.00 0.00 H +ATOM 2386 HD13 ILE A 157 -13.227 37.183 -5.797 1.00 0.00 H +ATOM 2387 N TYR A 158 -14.911 35.050 -11.497 1.00 0.00 N +ATOM 2388 CA TYR A 158 -15.403 35.612 -12.786 1.00 0.00 C +ATOM 2389 C TYR A 158 -16.780 36.267 -12.596 1.00 0.00 C +ATOM 2390 O TYR A 158 -17.694 35.699 -12.014 1.00 0.00 O +ATOM 2391 CB TYR A 158 -15.494 34.399 -13.709 1.00 0.00 C +ATOM 2392 CG TYR A 158 -14.181 34.187 -14.419 1.00 0.00 C +ATOM 2393 CD1 TYR A 158 -13.044 33.822 -13.689 1.00 0.00 C +ATOM 2394 CD2 TYR A 158 -14.103 34.343 -15.806 1.00 0.00 C +ATOM 2395 CE1 TYR A 158 -11.827 33.616 -14.346 1.00 0.00 C +ATOM 2396 CE2 TYR A 158 -12.888 34.140 -16.465 1.00 0.00 C +ATOM 2397 CZ TYR A 158 -11.747 33.777 -15.737 1.00 0.00 C +ATOM 2398 OH TYR A 158 -10.547 33.574 -16.388 1.00 0.00 O +ATOM 2399 H TYR A 158 -15.117 34.122 -11.262 1.00 0.00 H +ATOM 2400 HA TYR A 158 -14.696 36.323 -13.181 1.00 0.00 H +ATOM 2401 HB2 TYR A 158 -15.714 33.531 -13.122 1.00 0.00 H +ATOM 2402 HB3 TYR A 158 -16.277 34.551 -14.433 1.00 0.00 H +ATOM 2403 HD1 TYR A 158 -13.105 33.701 -12.617 1.00 0.00 H +ATOM 2404 HD2 TYR A 158 -14.980 34.616 -16.369 1.00 0.00 H +ATOM 2405 HE1 TYR A 158 -10.951 33.332 -13.781 1.00 0.00 H +ATOM 2406 HE2 TYR A 158 -12.831 34.267 -17.536 1.00 0.00 H +ATOM 2407 HH TYR A 158 -10.715 33.597 -17.333 1.00 0.00 H +ATOM 2408 N THR A 159 -16.930 37.473 -13.066 1.00 0.00 N +ATOM 2409 CA THR A 159 -18.220 38.183 -12.902 1.00 0.00 C +ATOM 2410 C THR A 159 -18.846 38.493 -14.264 1.00 0.00 C +ATOM 2411 O THR A 159 -18.310 38.148 -15.297 1.00 0.00 O +ATOM 2412 CB THR A 159 -17.829 39.464 -12.183 1.00 0.00 C +ATOM 2413 OG1 THR A 159 -17.105 40.302 -13.073 1.00 0.00 O +ATOM 2414 CG2 THR A 159 -16.954 39.116 -10.976 1.00 0.00 C +ATOM 2415 H THR A 159 -16.186 37.922 -13.512 1.00 0.00 H +ATOM 2416 HA THR A 159 -18.897 37.608 -12.292 1.00 0.00 H +ATOM 2417 HB THR A 159 -18.711 39.972 -11.849 1.00 0.00 H +ATOM 2418 HG1 THR A 159 -17.739 40.772 -13.619 1.00 0.00 H +ATOM 2419 HG21 THR A 159 -17.444 38.356 -10.384 1.00 0.00 H +ATOM 2420 HG22 THR A 159 -16.803 39.997 -10.377 1.00 0.00 H +ATOM 2421 HG23 THR A 159 -16.000 38.744 -11.318 1.00 0.00 H +ATOM 2422 N ASP A 160 -19.979 39.142 -14.272 1.00 0.00 N +ATOM 2423 CA ASP A 160 -20.639 39.474 -15.567 1.00 0.00 C +ATOM 2424 C ASP A 160 -20.920 40.976 -15.653 1.00 0.00 C +ATOM 2425 O ASP A 160 -22.047 41.414 -15.530 1.00 0.00 O +ATOM 2426 CB ASP A 160 -21.949 38.686 -15.559 1.00 0.00 C +ATOM 2427 CG ASP A 160 -22.655 38.859 -16.905 1.00 0.00 C +ATOM 2428 OD1 ASP A 160 -22.538 39.929 -17.478 1.00 0.00 O +ATOM 2429 OD2 ASP A 160 -23.300 37.918 -17.340 1.00 0.00 O +ATOM 2430 H ASP A 160 -20.395 39.412 -13.426 1.00 0.00 H +ATOM 2431 HA ASP A 160 -20.025 39.157 -16.395 1.00 0.00 H +ATOM 2432 HB2 ASP A 160 -21.739 37.639 -15.392 1.00 0.00 H +ATOM 2433 HB3 ASP A 160 -22.587 39.056 -14.770 1.00 0.00 H +ATOM 2434 N LYS A 161 -19.906 41.768 -15.864 1.00 0.00 N +ATOM 2435 CA LYS A 161 -20.118 43.241 -15.960 1.00 0.00 C +ATOM 2436 C LYS A 161 -20.974 43.729 -14.788 1.00 0.00 C +ATOM 2437 O LYS A 161 -21.965 44.407 -14.971 1.00 0.00 O +ATOM 2438 CB LYS A 161 -20.855 43.448 -17.284 1.00 0.00 C +ATOM 2439 CG LYS A 161 -20.877 44.938 -17.630 1.00 0.00 C +ATOM 2440 CD LYS A 161 -20.842 45.109 -19.150 1.00 0.00 C +ATOM 2441 CE LYS A 161 -22.046 45.940 -19.600 1.00 0.00 C +ATOM 2442 NZ LYS A 161 -21.696 46.414 -20.967 1.00 0.00 N +ATOM 2443 H LYS A 161 -19.005 41.395 -15.962 1.00 0.00 H +ATOM 2444 HA LYS A 161 -19.172 43.758 -15.979 1.00 0.00 H +ATOM 2445 HB2 LYS A 161 -20.348 42.903 -18.067 1.00 0.00 H +ATOM 2446 HB3 LYS A 161 -21.868 43.087 -17.192 1.00 0.00 H +ATOM 2447 HG2 LYS A 161 -21.779 45.385 -17.237 1.00 0.00 H +ATOM 2448 HG3 LYS A 161 -20.016 45.422 -17.195 1.00 0.00 H +ATOM 2449 HD2 LYS A 161 -19.930 45.613 -19.434 1.00 0.00 H +ATOM 2450 HD3 LYS A 161 -20.881 44.139 -19.622 1.00 0.00 H +ATOM 2451 HE2 LYS A 161 -22.936 45.325 -19.627 1.00 0.00 H +ATOM 2452 HE3 LYS A 161 -22.189 46.783 -18.942 1.00 0.00 H +ATOM 2453 HZ1 LYS A 161 -20.939 47.123 -20.905 1.00 0.00 H +ATOM 2454 HZ2 LYS A 161 -22.536 46.839 -21.412 1.00 0.00 H +ATOM 2455 HZ3 LYS A 161 -21.369 45.610 -21.540 1.00 0.00 H +ATOM 2456 N ASP A 162 -20.599 43.388 -13.586 1.00 0.00 N +ATOM 2457 CA ASP A 162 -21.391 43.832 -12.404 1.00 0.00 C +ATOM 2458 C ASP A 162 -20.499 43.887 -11.161 1.00 0.00 C +ATOM 2459 O ASP A 162 -20.970 43.809 -10.044 1.00 0.00 O +ATOM 2460 CB ASP A 162 -22.479 42.770 -12.236 1.00 0.00 C +ATOM 2461 CG ASP A 162 -23.577 43.305 -11.316 1.00 0.00 C +ATOM 2462 OD1 ASP A 162 -23.298 43.504 -10.146 1.00 0.00 O +ATOM 2463 OD2 ASP A 162 -24.680 43.507 -11.798 1.00 0.00 O +ATOM 2464 H ASP A 162 -19.796 42.840 -13.460 1.00 0.00 H +ATOM 2465 HA ASP A 162 -21.841 44.794 -12.590 1.00 0.00 H +ATOM 2466 HB2 ASP A 162 -22.901 42.531 -13.202 1.00 0.00 H +ATOM 2467 HB3 ASP A 162 -22.049 41.880 -11.800 1.00 0.00 H +ATOM 2468 N LEU A 163 -19.214 44.019 -11.346 1.00 0.00 N +ATOM 2469 CA LEU A 163 -18.297 44.077 -10.172 1.00 0.00 C +ATOM 2470 C LEU A 163 -16.963 44.715 -10.569 1.00 0.00 C +ATOM 2471 O LEU A 163 -16.184 44.142 -11.304 1.00 0.00 O +ATOM 2472 CB LEU A 163 -18.092 42.618 -9.760 1.00 0.00 C +ATOM 2473 CG LEU A 163 -17.080 42.547 -8.616 1.00 0.00 C +ATOM 2474 CD1 LEU A 163 -17.684 43.172 -7.361 1.00 0.00 C +ATOM 2475 CD2 LEU A 163 -16.734 41.085 -8.331 1.00 0.00 C +ATOM 2476 H LEU A 163 -18.853 44.080 -12.254 1.00 0.00 H +ATOM 2477 HA LEU A 163 -18.753 44.627 -9.364 1.00 0.00 H +ATOM 2478 HB2 LEU A 163 -19.034 42.201 -9.435 1.00 0.00 H +ATOM 2479 HB3 LEU A 163 -17.720 42.054 -10.602 1.00 0.00 H +ATOM 2480 HG LEU A 163 -16.185 43.085 -8.892 1.00 0.00 H +ATOM 2481 HD11 LEU A 163 -18.546 43.763 -7.632 1.00 0.00 H +ATOM 2482 HD12 LEU A 163 -16.949 43.803 -6.883 1.00 0.00 H +ATOM 2483 HD13 LEU A 163 -17.984 42.389 -6.681 1.00 0.00 H +ATOM 2484 HD21 LEU A 163 -17.589 40.463 -8.552 1.00 0.00 H +ATOM 2485 HD22 LEU A 163 -16.469 40.974 -7.290 1.00 0.00 H +ATOM 2486 HD23 LEU A 163 -15.900 40.785 -8.948 1.00 0.00 H +ATOM 2487 N VAL A 164 -16.692 45.897 -10.084 1.00 0.00 N +ATOM 2488 CA VAL A 164 -15.407 46.568 -10.430 1.00 0.00 C +ATOM 2489 C VAL A 164 -14.528 46.689 -9.183 1.00 0.00 C +ATOM 2490 O VAL A 164 -14.042 47.752 -8.852 1.00 0.00 O +ATOM 2491 CB VAL A 164 -15.806 47.951 -10.943 1.00 0.00 C +ATOM 2492 CG1 VAL A 164 -14.583 48.645 -11.546 1.00 0.00 C +ATOM 2493 CG2 VAL A 164 -16.887 47.804 -12.016 1.00 0.00 C +ATOM 2494 H VAL A 164 -17.333 46.341 -9.490 1.00 0.00 H +ATOM 2495 HA VAL A 164 -14.892 46.020 -11.202 1.00 0.00 H +ATOM 2496 HB VAL A 164 -16.187 48.543 -10.123 1.00 0.00 H +ATOM 2497 HG11 VAL A 164 -14.084 49.222 -10.781 1.00 0.00 H +ATOM 2498 HG12 VAL A 164 -14.899 49.301 -12.344 1.00 0.00 H +ATOM 2499 HG13 VAL A 164 -13.904 47.902 -11.937 1.00 0.00 H +ATOM 2500 HG21 VAL A 164 -16.436 47.467 -12.938 1.00 0.00 H +ATOM 2501 HG22 VAL A 164 -17.366 48.759 -12.178 1.00 0.00 H +ATOM 2502 HG23 VAL A 164 -17.622 47.083 -11.690 1.00 0.00 H +ATOM 2503 N VAL A 165 -14.327 45.604 -8.489 1.00 0.00 N +ATOM 2504 CA VAL A 165 -13.487 45.642 -7.260 1.00 0.00 C +ATOM 2505 C VAL A 165 -12.206 46.443 -7.506 1.00 0.00 C +ATOM 2506 O VAL A 165 -11.328 46.004 -8.221 1.00 0.00 O +ATOM 2507 CB VAL A 165 -13.153 44.180 -6.964 1.00 0.00 C +ATOM 2508 CG1 VAL A 165 -12.070 44.114 -5.886 1.00 0.00 C +ATOM 2509 CG2 VAL A 165 -14.408 43.460 -6.469 1.00 0.00 C +ATOM 2510 H VAL A 165 -14.733 44.761 -8.775 1.00 0.00 H +ATOM 2511 HA VAL A 165 -14.045 46.062 -6.441 1.00 0.00 H +ATOM 2512 HB VAL A 165 -12.793 43.704 -7.865 1.00 0.00 H +ATOM 2513 HG11 VAL A 165 -11.185 43.647 -6.292 1.00 0.00 H +ATOM 2514 HG12 VAL A 165 -12.431 43.534 -5.049 1.00 0.00 H +ATOM 2515 HG13 VAL A 165 -11.830 45.113 -5.555 1.00 0.00 H +ATOM 2516 HG21 VAL A 165 -14.807 43.980 -5.610 1.00 0.00 H +ATOM 2517 HG22 VAL A 165 -14.157 42.447 -6.192 1.00 0.00 H +ATOM 2518 HG23 VAL A 165 -15.148 43.445 -7.256 1.00 0.00 H +ATOM 2519 N PRO A 166 -12.140 47.593 -6.893 1.00 0.00 N +ATOM 2520 CA PRO A 166 -10.950 48.464 -7.036 1.00 0.00 C +ATOM 2521 C PRO A 166 -9.784 47.895 -6.224 1.00 0.00 C +ATOM 2522 O PRO A 166 -9.823 46.770 -5.767 1.00 0.00 O +ATOM 2523 CB PRO A 166 -11.411 49.799 -6.459 1.00 0.00 C +ATOM 2524 CG PRO A 166 -12.517 49.454 -5.513 1.00 0.00 C +ATOM 2525 CD PRO A 166 -13.159 48.186 -6.019 1.00 0.00 C +ATOM 2526 HA PRO A 166 -10.677 48.579 -8.072 1.00 0.00 H +ATOM 2527 HB2 PRO A 166 -10.598 50.281 -5.932 1.00 0.00 H +ATOM 2528 HB3 PRO A 166 -11.784 50.440 -7.244 1.00 0.00 H +ATOM 2529 HG2 PRO A 166 -12.116 49.296 -4.521 1.00 0.00 H +ATOM 2530 HG3 PRO A 166 -13.248 50.247 -5.494 1.00 0.00 H +ATOM 2531 HD2 PRO A 166 -13.387 47.524 -5.195 1.00 0.00 H +ATOM 2532 HD3 PRO A 166 -14.049 48.411 -6.585 1.00 0.00 H +ATOM 2533 N GLU A 167 -8.748 48.664 -6.041 1.00 0.00 N +ATOM 2534 CA GLU A 167 -7.580 48.175 -5.259 1.00 0.00 C +ATOM 2535 C GLU A 167 -8.023 47.705 -3.867 1.00 0.00 C +ATOM 2536 O GLU A 167 -7.292 47.030 -3.170 1.00 0.00 O +ATOM 2537 CB GLU A 167 -6.649 49.382 -5.147 1.00 0.00 C +ATOM 2538 CG GLU A 167 -5.444 49.021 -4.276 1.00 0.00 C +ATOM 2539 CD GLU A 167 -5.356 49.992 -3.097 1.00 0.00 C +ATOM 2540 OE1 GLU A 167 -5.824 51.110 -3.240 1.00 0.00 O +ATOM 2541 OE2 GLU A 167 -4.823 49.602 -2.072 1.00 0.00 O +ATOM 2542 H GLU A 167 -8.737 49.564 -6.418 1.00 0.00 H +ATOM 2543 HA GLU A 167 -7.088 47.380 -5.788 1.00 0.00 H +ATOM 2544 HB2 GLU A 167 -6.309 49.667 -6.132 1.00 0.00 H +ATOM 2545 HB3 GLU A 167 -7.181 50.207 -4.697 1.00 0.00 H +ATOM 2546 HG2 GLU A 167 -5.558 48.012 -3.905 1.00 0.00 H +ATOM 2547 HG3 GLU A 167 -4.541 49.089 -4.864 1.00 0.00 H +ATOM 2548 N LYS A 168 -9.212 48.066 -3.457 1.00 0.00 N +ATOM 2549 CA LYS A 168 -9.710 47.654 -2.110 1.00 0.00 C +ATOM 2550 C LYS A 168 -9.276 46.223 -1.772 1.00 0.00 C +ATOM 2551 O LYS A 168 -9.125 45.871 -0.619 1.00 0.00 O +ATOM 2552 CB LYS A 168 -11.233 47.737 -2.214 1.00 0.00 C +ATOM 2553 CG LYS A 168 -11.860 47.340 -0.876 1.00 0.00 C +ATOM 2554 CD LYS A 168 -12.495 45.954 -1.000 1.00 0.00 C +ATOM 2555 CE LYS A 168 -13.830 46.068 -1.739 1.00 0.00 C +ATOM 2556 NZ LYS A 168 -14.854 46.186 -0.664 1.00 0.00 N +ATOM 2557 H LYS A 168 -9.779 48.618 -4.034 1.00 0.00 H +ATOM 2558 HA LYS A 168 -9.358 48.338 -1.357 1.00 0.00 H +ATOM 2559 HB2 LYS A 168 -11.521 48.748 -2.462 1.00 0.00 H +ATOM 2560 HB3 LYS A 168 -11.579 47.064 -2.984 1.00 0.00 H +ATOM 2561 HG2 LYS A 168 -11.097 47.321 -0.111 1.00 0.00 H +ATOM 2562 HG3 LYS A 168 -12.620 48.059 -0.607 1.00 0.00 H +ATOM 2563 HD2 LYS A 168 -11.831 45.303 -1.552 1.00 0.00 H +ATOM 2564 HD3 LYS A 168 -12.664 45.545 -0.016 1.00 0.00 H +ATOM 2565 HE2 LYS A 168 -13.836 46.948 -2.367 1.00 0.00 H +ATOM 2566 HE3 LYS A 168 -14.012 45.182 -2.328 1.00 0.00 H +ATOM 2567 HZ1 LYS A 168 -15.803 46.110 -1.080 1.00 0.00 H +ATOM 2568 HZ2 LYS A 168 -14.755 47.108 -0.192 1.00 0.00 H +ATOM 2569 HZ3 LYS A 168 -14.719 45.424 0.029 1.00 0.00 H +ATOM 2570 N TRP A 169 -9.072 45.394 -2.760 1.00 0.00 N +ATOM 2571 CA TRP A 169 -8.647 43.994 -2.473 1.00 0.00 C +ATOM 2572 C TRP A 169 -7.124 43.931 -2.355 1.00 0.00 C +ATOM 2573 O TRP A 169 -6.580 43.739 -1.287 1.00 0.00 O +ATOM 2574 CB TRP A 169 -9.139 43.171 -3.671 1.00 0.00 C +ATOM 2575 CG TRP A 169 -9.322 41.748 -3.272 1.00 0.00 C +ATOM 2576 CD1 TRP A 169 -9.508 41.314 -2.010 1.00 0.00 C +ATOM 2577 CD2 TRP A 169 -9.336 40.562 -4.120 1.00 0.00 C +ATOM 2578 NE1 TRP A 169 -9.637 39.945 -2.026 1.00 0.00 N +ATOM 2579 CE2 TRP A 169 -9.537 39.431 -3.300 1.00 0.00 C +ATOM 2580 CE3 TRP A 169 -9.193 40.359 -5.505 1.00 0.00 C +ATOM 2581 CZ2 TRP A 169 -9.596 38.143 -3.830 1.00 0.00 C +ATOM 2582 CZ3 TRP A 169 -9.252 39.063 -6.043 1.00 0.00 C +ATOM 2583 CH2 TRP A 169 -9.453 37.958 -5.206 1.00 0.00 C +ATOM 2584 H TRP A 169 -9.195 45.690 -3.685 1.00 0.00 H +ATOM 2585 HA TRP A 169 -9.108 43.642 -1.569 1.00 0.00 H +ATOM 2586 HB2 TRP A 169 -10.078 43.567 -4.021 1.00 0.00 H +ATOM 2587 HB3 TRP A 169 -8.413 43.219 -4.461 1.00 0.00 H +ATOM 2588 HD1 TRP A 169 -9.550 41.934 -1.133 1.00 0.00 H +ATOM 2589 HE1 TRP A 169 -9.781 39.392 -1.242 1.00 0.00 H +ATOM 2590 HE3 TRP A 169 -9.041 41.202 -6.160 1.00 0.00 H +ATOM 2591 HZ2 TRP A 169 -9.752 37.295 -3.179 1.00 0.00 H +ATOM 2592 HZ3 TRP A 169 -9.142 38.918 -7.107 1.00 0.00 H +ATOM 2593 HH2 TRP A 169 -9.496 36.965 -5.626 1.00 0.00 H +ATOM 2594 N GLU A 170 -6.443 44.104 -3.451 1.00 0.00 N +ATOM 2595 CA GLU A 170 -4.948 44.068 -3.446 1.00 0.00 C +ATOM 2596 C GLU A 170 -4.441 44.097 -4.892 1.00 0.00 C +ATOM 2597 O GLU A 170 -3.446 43.486 -5.227 1.00 0.00 O +ATOM 2598 CB GLU A 170 -4.571 42.744 -2.772 1.00 0.00 C +ATOM 2599 CG GLU A 170 -3.065 42.507 -2.905 1.00 0.00 C +ATOM 2600 CD GLU A 170 -2.532 41.865 -1.623 1.00 0.00 C +ATOM 2601 OE1 GLU A 170 -3.031 42.204 -0.562 1.00 0.00 O +ATOM 2602 OE2 GLU A 170 -1.635 41.045 -1.723 1.00 0.00 O +ATOM 2603 H GLU A 170 -6.921 44.266 -4.288 1.00 0.00 H +ATOM 2604 HA GLU A 170 -4.551 44.900 -2.887 1.00 0.00 H +ATOM 2605 HB2 GLU A 170 -4.832 42.782 -1.726 1.00 0.00 H +ATOM 2606 HB3 GLU A 170 -5.103 41.933 -3.247 1.00 0.00 H +ATOM 2607 HG2 GLU A 170 -2.877 41.852 -3.743 1.00 0.00 H +ATOM 2608 HG3 GLU A 170 -2.565 43.451 -3.067 1.00 0.00 H +ATOM 2609 N GLU A 171 -5.140 44.792 -5.756 1.00 0.00 N +ATOM 2610 CA GLU A 171 -4.736 44.860 -7.193 1.00 0.00 C +ATOM 2611 C GLU A 171 -5.081 43.544 -7.903 1.00 0.00 C +ATOM 2612 O GLU A 171 -4.958 43.435 -9.107 1.00 0.00 O +ATOM 2613 CB GLU A 171 -3.222 45.095 -7.190 1.00 0.00 C +ATOM 2614 CG GLU A 171 -2.850 46.029 -8.344 1.00 0.00 C +ATOM 2615 CD GLU A 171 -1.567 45.531 -9.012 1.00 0.00 C +ATOM 2616 OE1 GLU A 171 -0.669 45.122 -8.294 1.00 0.00 O +ATOM 2617 OE2 GLU A 171 -1.504 45.567 -10.230 1.00 0.00 O +ATOM 2618 H GLU A 171 -5.945 45.262 -5.460 1.00 0.00 H +ATOM 2619 HA GLU A 171 -5.233 45.685 -7.679 1.00 0.00 H +ATOM 2620 HB2 GLU A 171 -2.930 45.545 -6.253 1.00 0.00 H +ATOM 2621 HB3 GLU A 171 -2.711 44.152 -7.313 1.00 0.00 H +ATOM 2622 HG2 GLU A 171 -3.652 46.043 -9.068 1.00 0.00 H +ATOM 2623 HG3 GLU A 171 -2.691 47.026 -7.963 1.00 0.00 H +ATOM 2624 N SER A 172 -5.521 42.550 -7.164 1.00 0.00 N +ATOM 2625 CA SER A 172 -5.886 41.234 -7.780 1.00 0.00 C +ATOM 2626 C SER A 172 -5.917 40.139 -6.707 1.00 0.00 C +ATOM 2627 O SER A 172 -5.398 39.058 -6.903 1.00 0.00 O +ATOM 2628 CB SER A 172 -4.782 40.930 -8.796 1.00 0.00 C +ATOM 2629 OG SER A 172 -3.563 41.513 -8.353 1.00 0.00 O +ATOM 2630 H SER A 172 -5.621 42.670 -6.200 1.00 0.00 H +ATOM 2631 HA SER A 172 -6.840 41.302 -8.279 1.00 0.00 H +ATOM 2632 HB2 SER A 172 -4.655 39.865 -8.884 1.00 0.00 H +ATOM 2633 HB3 SER A 172 -5.059 41.338 -9.760 1.00 0.00 H +ATOM 2634 HG SER A 172 -2.839 41.029 -8.758 1.00 0.00 H +ATOM 2635 N GLY A 173 -6.513 40.402 -5.572 1.00 0.00 N +ATOM 2636 CA GLY A 173 -6.557 39.362 -4.505 1.00 0.00 C +ATOM 2637 C GLY A 173 -5.148 39.141 -3.951 1.00 0.00 C +ATOM 2638 O GLY A 173 -4.176 39.586 -4.529 1.00 0.00 O +ATOM 2639 H GLY A 173 -6.928 41.279 -5.419 1.00 0.00 H +ATOM 2640 HA2 GLY A 173 -7.211 39.689 -3.710 1.00 0.00 H +ATOM 2641 HA3 GLY A 173 -6.926 38.435 -4.919 1.00 0.00 H +ATOM 2642 N PRO A 174 -5.088 38.462 -2.838 1.00 0.00 N +ATOM 2643 CA PRO A 174 -3.785 38.177 -2.184 1.00 0.00 C +ATOM 2644 C PRO A 174 -2.974 37.157 -2.991 1.00 0.00 C +ATOM 2645 O PRO A 174 -3.468 36.539 -3.918 1.00 0.00 O +ATOM 2646 CB PRO A 174 -4.187 37.589 -0.834 1.00 0.00 C +ATOM 2647 CG PRO A 174 -5.552 37.026 -1.057 1.00 0.00 C +ATOM 2648 CD PRO A 174 -6.215 37.901 -2.087 1.00 0.00 C +ATOM 2649 HA PRO A 174 -3.223 39.085 -2.038 1.00 0.00 H +ATOM 2650 HB2 PRO A 174 -3.496 36.810 -0.543 1.00 0.00 H +ATOM 2651 HB3 PRO A 174 -4.225 38.362 -0.082 1.00 0.00 H +ATOM 2652 HG2 PRO A 174 -5.475 36.011 -1.425 1.00 0.00 H +ATOM 2653 HG3 PRO A 174 -6.119 37.048 -0.141 1.00 0.00 H +ATOM 2654 HD2 PRO A 174 -6.852 37.312 -2.731 1.00 0.00 H +ATOM 2655 HD3 PRO A 174 -6.775 38.690 -1.612 1.00 0.00 H +ATOM 2656 N GLN A 175 -1.730 36.978 -2.635 1.00 0.00 N +ATOM 2657 CA GLN A 175 -0.868 36.001 -3.359 1.00 0.00 C +ATOM 2658 C GLN A 175 0.185 35.428 -2.405 1.00 0.00 C +ATOM 2659 O GLN A 175 1.293 35.920 -2.321 1.00 0.00 O +ATOM 2660 CB GLN A 175 -0.202 36.809 -4.473 1.00 0.00 C +ATOM 2661 CG GLN A 175 0.949 36.000 -5.074 1.00 0.00 C +ATOM 2662 CD GLN A 175 2.254 36.783 -4.927 1.00 0.00 C +ATOM 2663 OE1 GLN A 175 2.751 36.958 -3.832 1.00 0.00 O +ATOM 2664 NE2 GLN A 175 2.835 37.264 -5.991 1.00 0.00 N +ATOM 2665 H GLN A 175 -1.362 37.486 -1.882 1.00 0.00 H +ATOM 2666 HA GLN A 175 -1.467 35.210 -3.782 1.00 0.00 H +ATOM 2667 HB2 GLN A 175 -0.929 37.029 -5.242 1.00 0.00 H +ATOM 2668 HB3 GLN A 175 0.184 37.732 -4.067 1.00 0.00 H +ATOM 2669 HG2 GLN A 175 1.033 35.055 -4.556 1.00 0.00 H +ATOM 2670 HG3 GLN A 175 0.755 35.821 -6.120 1.00 0.00 H +ATOM 2671 HE21 GLN A 175 2.434 37.123 -6.874 1.00 0.00 H +ATOM 2672 HE22 GLN A 175 3.672 37.767 -5.908 1.00 0.00 H +ATOM 2673 N PHE A 176 -0.153 34.395 -1.681 1.00 0.00 N +ATOM 2674 CA PHE A 176 0.826 33.795 -0.729 1.00 0.00 C +ATOM 2675 C PHE A 176 1.648 32.712 -1.430 1.00 0.00 C +ATOM 2676 O PHE A 176 1.259 32.198 -2.457 1.00 0.00 O +ATOM 2677 CB PHE A 176 -0.031 33.183 0.379 1.00 0.00 C +ATOM 2678 CG PHE A 176 0.861 32.518 1.399 1.00 0.00 C +ATOM 2679 CD1 PHE A 176 1.626 33.298 2.274 1.00 0.00 C +ATOM 2680 CD2 PHE A 176 0.923 31.121 1.471 1.00 0.00 C +ATOM 2681 CE1 PHE A 176 2.453 32.682 3.220 1.00 0.00 C +ATOM 2682 CE2 PHE A 176 1.749 30.505 2.418 1.00 0.00 C +ATOM 2683 CZ PHE A 176 2.514 31.285 3.293 1.00 0.00 C +ATOM 2684 H PHE A 176 -1.053 34.016 -1.762 1.00 0.00 H +ATOM 2685 HA PHE A 176 1.471 34.556 -0.319 1.00 0.00 H +ATOM 2686 HB2 PHE A 176 -0.610 33.959 0.857 1.00 0.00 H +ATOM 2687 HB3 PHE A 176 -0.698 32.448 -0.048 1.00 0.00 H +ATOM 2688 HD1 PHE A 176 1.579 34.376 2.218 1.00 0.00 H +ATOM 2689 HD2 PHE A 176 0.333 30.518 0.796 1.00 0.00 H +ATOM 2690 HE1 PHE A 176 3.043 33.284 3.895 1.00 0.00 H +ATOM 2691 HE2 PHE A 176 1.796 29.427 2.474 1.00 0.00 H +ATOM 2692 HZ PHE A 176 3.152 30.809 4.023 1.00 0.00 H +ATOM 2693 N ILE A 177 2.786 32.365 -0.889 1.00 0.00 N +ATOM 2694 CA ILE A 177 3.626 31.319 -1.538 1.00 0.00 C +ATOM 2695 C ILE A 177 4.223 30.377 -0.488 1.00 0.00 C +ATOM 2696 O ILE A 177 4.224 30.662 0.693 1.00 0.00 O +ATOM 2697 CB ILE A 177 4.737 32.092 -2.245 1.00 0.00 C +ATOM 2698 CG1 ILE A 177 4.127 33.217 -3.084 1.00 0.00 C +ATOM 2699 CG2 ILE A 177 5.521 31.147 -3.158 1.00 0.00 C +ATOM 2700 CD1 ILE A 177 3.380 32.617 -4.276 1.00 0.00 C +ATOM 2701 H ILE A 177 3.090 32.795 -0.063 1.00 0.00 H +ATOM 2702 HA ILE A 177 3.049 30.763 -2.260 1.00 0.00 H +ATOM 2703 HB ILE A 177 5.403 32.512 -1.506 1.00 0.00 H +ATOM 2704 HG12 ILE A 177 3.440 33.788 -2.476 1.00 0.00 H +ATOM 2705 HG13 ILE A 177 4.913 33.864 -3.444 1.00 0.00 H +ATOM 2706 HG21 ILE A 177 5.921 30.332 -2.574 1.00 0.00 H +ATOM 2707 HG22 ILE A 177 6.332 31.688 -3.624 1.00 0.00 H +ATOM 2708 HG23 ILE A 177 4.864 30.756 -3.920 1.00 0.00 H +ATOM 2709 HD11 ILE A 177 2.711 31.843 -3.930 1.00 0.00 H +ATOM 2710 HD12 ILE A 177 4.091 32.194 -4.971 1.00 0.00 H +ATOM 2711 HD13 ILE A 177 2.811 33.390 -4.771 1.00 0.00 H +ATOM 2712 N THR A 178 4.742 29.260 -0.919 1.00 0.00 N +ATOM 2713 CA THR A 178 5.356 28.290 0.034 1.00 0.00 C +ATOM 2714 C THR A 178 6.548 27.605 -0.630 1.00 0.00 C +ATOM 2715 O THR A 178 6.738 27.692 -1.827 1.00 0.00 O +ATOM 2716 CB THR A 178 4.264 27.264 0.338 1.00 0.00 C +ATOM 2717 OG1 THR A 178 4.019 26.481 -0.819 1.00 0.00 O +ATOM 2718 CG2 THR A 178 2.983 27.981 0.750 1.00 0.00 C +ATOM 2719 H THR A 178 4.735 29.062 -1.878 1.00 0.00 H +ATOM 2720 HA THR A 178 5.660 28.787 0.943 1.00 0.00 H +ATOM 2721 HB THR A 178 4.587 26.623 1.144 1.00 0.00 H +ATOM 2722 HG1 THR A 178 4.688 25.794 -0.860 1.00 0.00 H +ATOM 2723 HG21 THR A 178 2.533 28.441 -0.117 1.00 0.00 H +ATOM 2724 HG22 THR A 178 3.217 28.741 1.481 1.00 0.00 H +ATOM 2725 HG23 THR A 178 2.295 27.268 1.179 1.00 0.00 H +ATOM 2726 N ASN A 179 7.349 26.920 0.132 1.00 0.00 N +ATOM 2727 CA ASN A 179 8.524 26.227 -0.460 1.00 0.00 C +ATOM 2728 C ASN A 179 9.292 25.481 0.635 1.00 0.00 C +ATOM 2729 O ASN A 179 10.497 25.342 0.578 1.00 0.00 O +ATOM 2730 CB ASN A 179 9.385 27.344 -1.052 1.00 0.00 C +ATOM 2731 CG ASN A 179 10.211 26.792 -2.216 1.00 0.00 C +ATOM 2732 OD1 ASN A 179 10.607 25.644 -2.204 1.00 0.00 O +ATOM 2733 ND2 ASN A 179 10.490 27.569 -3.227 1.00 0.00 N +ATOM 2734 H ASN A 179 7.176 26.859 1.095 1.00 0.00 H +ATOM 2735 HA ASN A 179 8.208 25.549 -1.240 1.00 0.00 H +ATOM 2736 HB2 ASN A 179 8.747 28.140 -1.407 1.00 0.00 H +ATOM 2737 HB3 ASN A 179 10.049 27.727 -0.292 1.00 0.00 H +ATOM 2738 HD21 ASN A 179 10.171 28.496 -3.235 1.00 0.00 H +ATOM 2739 HD22 ASN A 179 11.018 27.226 -3.978 1.00 0.00 H +ATOM 2740 N SER A 180 8.601 25.010 1.639 1.00 0.00 N +ATOM 2741 CA SER A 180 9.290 24.284 2.745 1.00 0.00 C +ATOM 2742 C SER A 180 9.257 22.773 2.501 1.00 0.00 C +ATOM 2743 O SER A 180 8.270 22.228 2.047 1.00 0.00 O +ATOM 2744 CB SER A 180 8.500 24.641 4.002 1.00 0.00 C +ATOM 2745 OG SER A 180 8.578 23.564 4.927 1.00 0.00 O +ATOM 2746 H SER A 180 7.630 25.139 1.670 1.00 0.00 H +ATOM 2747 HA SER A 180 10.304 24.628 2.842 1.00 0.00 H +ATOM 2748 HB2 SER A 180 8.916 25.526 4.453 1.00 0.00 H +ATOM 2749 HB3 SER A 180 7.468 24.826 3.736 1.00 0.00 H +ATOM 2750 HG SER A 180 8.816 23.925 5.784 1.00 0.00 H +ATOM 2751 N GLU A 181 10.328 22.091 2.811 1.00 0.00 N +ATOM 2752 CA GLU A 181 10.366 20.612 2.608 1.00 0.00 C +ATOM 2753 C GLU A 181 9.400 19.928 3.578 1.00 0.00 C +ATOM 2754 O GLU A 181 9.780 19.081 4.361 1.00 0.00 O +ATOM 2755 CB GLU A 181 11.809 20.207 2.910 1.00 0.00 C +ATOM 2756 CG GLU A 181 12.693 20.523 1.701 1.00 0.00 C +ATOM 2757 CD GLU A 181 12.212 19.717 0.493 1.00 0.00 C +ATOM 2758 OE1 GLU A 181 11.341 18.882 0.672 1.00 0.00 O +ATOM 2759 OE2 GLU A 181 12.723 19.949 -0.590 1.00 0.00 O +ATOM 2760 H GLU A 181 11.104 22.549 3.184 1.00 0.00 H +ATOM 2761 HA GLU A 181 10.117 20.365 1.589 1.00 0.00 H +ATOM 2762 HB2 GLU A 181 12.165 20.754 3.771 1.00 0.00 H +ATOM 2763 HB3 GLU A 181 11.850 19.147 3.115 1.00 0.00 H +ATOM 2764 HG2 GLU A 181 12.632 21.579 1.478 1.00 0.00 H +ATOM 2765 HG3 GLU A 181 13.716 20.260 1.924 1.00 0.00 H +ATOM 2766 N GLU A 182 8.155 20.299 3.526 1.00 0.00 N +ATOM 2767 CA GLU A 182 7.143 19.691 4.435 1.00 0.00 C +ATOM 2768 C GLU A 182 5.779 20.331 4.176 1.00 0.00 C +ATOM 2769 O GLU A 182 4.748 19.701 4.302 1.00 0.00 O +ATOM 2770 CB GLU A 182 7.630 20.015 5.847 1.00 0.00 C +ATOM 2771 CG GLU A 182 7.568 18.754 6.711 1.00 0.00 C +ATOM 2772 CD GLU A 182 8.595 18.858 7.840 1.00 0.00 C +ATOM 2773 OE1 GLU A 182 9.468 19.704 7.744 1.00 0.00 O +ATOM 2774 OE2 GLU A 182 8.491 18.089 8.781 1.00 0.00 O +ATOM 2775 H GLU A 182 7.882 20.984 2.886 1.00 0.00 H +ATOM 2776 HA GLU A 182 7.097 18.624 4.292 1.00 0.00 H +ATOM 2777 HB2 GLU A 182 8.649 20.372 5.803 1.00 0.00 H +ATOM 2778 HB3 GLU A 182 6.999 20.777 6.278 1.00 0.00 H +ATOM 2779 HG2 GLU A 182 6.577 18.655 7.132 1.00 0.00 H +ATOM 2780 HG3 GLU A 182 7.789 17.890 6.104 1.00 0.00 H +ATOM 2781 N VAL A 183 5.775 21.580 3.803 1.00 0.00 N +ATOM 2782 CA VAL A 183 4.489 22.275 3.518 1.00 0.00 C +ATOM 2783 C VAL A 183 4.053 21.983 2.084 1.00 0.00 C +ATOM 2784 O VAL A 183 3.017 22.429 1.644 1.00 0.00 O +ATOM 2785 CB VAL A 183 4.803 23.768 3.717 1.00 0.00 C +ATOM 2786 CG1 VAL A 183 3.948 24.644 2.790 1.00 0.00 C +ATOM 2787 CG2 VAL A 183 4.509 24.154 5.163 1.00 0.00 C +ATOM 2788 H VAL A 183 6.623 22.061 3.701 1.00 0.00 H +ATOM 2789 HA VAL A 183 3.729 21.962 4.215 1.00 0.00 H +ATOM 2790 HB VAL A 183 5.846 23.942 3.500 1.00 0.00 H +ATOM 2791 HG11 VAL A 183 4.435 24.732 1.829 1.00 0.00 H +ATOM 2792 HG12 VAL A 183 3.834 25.626 3.227 1.00 0.00 H +ATOM 2793 HG13 VAL A 183 2.977 24.199 2.662 1.00 0.00 H +ATOM 2794 HG21 VAL A 183 4.856 25.159 5.344 1.00 0.00 H +ATOM 2795 HG22 VAL A 183 5.013 23.470 5.827 1.00 0.00 H +ATOM 2796 HG23 VAL A 183 3.443 24.104 5.335 1.00 0.00 H +ATOM 2797 N ARG A 184 4.837 21.249 1.341 1.00 0.00 N +ATOM 2798 CA ARG A 184 4.443 20.966 -0.066 1.00 0.00 C +ATOM 2799 C ARG A 184 3.952 22.271 -0.691 1.00 0.00 C +ATOM 2800 O ARG A 184 4.567 23.303 -0.508 1.00 0.00 O +ATOM 2801 CB ARG A 184 3.314 19.939 0.034 1.00 0.00 C +ATOM 2802 CG ARG A 184 3.872 18.624 0.579 1.00 0.00 C +ATOM 2803 CD ARG A 184 2.749 17.831 1.250 1.00 0.00 C +ATOM 2804 NE ARG A 184 2.621 18.421 2.611 1.00 0.00 N +ATOM 2805 CZ ARG A 184 2.325 17.660 3.629 1.00 0.00 C +ATOM 2806 NH1 ARG A 184 1.261 16.906 3.592 1.00 0.00 N +ATOM 2807 NH2 ARG A 184 3.094 17.651 4.683 1.00 0.00 N +ATOM 2808 H ARG A 184 5.680 20.903 1.702 1.00 0.00 H +ATOM 2809 HA ARG A 184 5.275 20.562 -0.623 1.00 0.00 H +ATOM 2810 HB2 ARG A 184 2.550 20.311 0.700 1.00 0.00 H +ATOM 2811 HB3 ARG A 184 2.891 19.770 -0.944 1.00 0.00 H +ATOM 2812 HG2 ARG A 184 4.286 18.045 -0.235 1.00 0.00 H +ATOM 2813 HG3 ARG A 184 4.645 18.833 1.302 1.00 0.00 H +ATOM 2814 HD2 ARG A 184 1.826 17.948 0.699 1.00 0.00 H +ATOM 2815 HD3 ARG A 184 3.015 16.788 1.323 1.00 0.00 H +ATOM 2816 HE ARG A 184 2.760 19.383 2.743 1.00 0.00 H +ATOM 2817 HH11 ARG A 184 0.672 16.911 2.783 1.00 0.00 H +ATOM 2818 HH12 ARG A 184 1.033 16.322 4.372 1.00 0.00 H +ATOM 2819 HH21 ARG A 184 3.911 18.227 4.712 1.00 0.00 H +ATOM 2820 HH22 ARG A 184 2.867 17.067 5.463 1.00 0.00 H +ATOM 2821 N LEU A 185 2.845 22.261 -1.390 1.00 0.00 N +ATOM 2822 CA LEU A 185 2.350 23.541 -1.974 1.00 0.00 C +ATOM 2823 C LEU A 185 3.536 24.280 -2.600 1.00 0.00 C +ATOM 2824 O LEU A 185 4.597 23.717 -2.764 1.00 0.00 O +ATOM 2825 CB LEU A 185 1.810 24.307 -0.761 1.00 0.00 C +ATOM 2826 CG LEU A 185 0.643 25.217 -1.157 1.00 0.00 C +ATOM 2827 CD1 LEU A 185 -0.606 24.381 -1.434 1.00 0.00 C +ATOM 2828 CD2 LEU A 185 0.356 26.173 -0.001 1.00 0.00 C +ATOM 2829 H LEU A 185 2.339 21.432 -1.510 1.00 0.00 H +ATOM 2830 HA LEU A 185 1.570 23.370 -2.697 1.00 0.00 H +ATOM 2831 HB2 LEU A 185 1.471 23.601 -0.017 1.00 0.00 H +ATOM 2832 HB3 LEU A 185 2.602 24.910 -0.342 1.00 0.00 H +ATOM 2833 HG LEU A 185 0.898 25.783 -2.038 1.00 0.00 H +ATOM 2834 HD11 LEU A 185 -0.468 23.823 -2.347 1.00 0.00 H +ATOM 2835 HD12 LEU A 185 -1.462 25.037 -1.535 1.00 0.00 H +ATOM 2836 HD13 LEU A 185 -0.770 23.699 -0.616 1.00 0.00 H +ATOM 2837 HD21 LEU A 185 0.709 25.732 0.922 1.00 0.00 H +ATOM 2838 HD22 LEU A 185 -0.707 26.345 0.067 1.00 0.00 H +ATOM 2839 HD23 LEU A 185 0.866 27.109 -0.171 1.00 0.00 H +ATOM 2840 N ARG A 186 3.374 25.524 -2.930 1.00 0.00 N +ATOM 2841 CA ARG A 186 4.506 26.302 -3.510 1.00 0.00 C +ATOM 2842 C ARG A 186 4.040 27.722 -3.815 1.00 0.00 C +ATOM 2843 O ARG A 186 4.783 28.674 -3.686 1.00 0.00 O +ATOM 2844 CB ARG A 186 4.912 25.577 -4.796 1.00 0.00 C +ATOM 2845 CG ARG A 186 6.262 26.116 -5.281 1.00 0.00 C +ATOM 2846 CD ARG A 186 7.367 25.717 -4.294 1.00 0.00 C +ATOM 2847 NE ARG A 186 7.608 24.271 -4.548 1.00 0.00 N +ATOM 2848 CZ ARG A 186 8.725 23.717 -4.162 1.00 0.00 C +ATOM 2849 NH1 ARG A 186 9.867 24.194 -4.575 1.00 0.00 N +ATOM 2850 NH2 ARG A 186 8.700 22.684 -3.365 1.00 0.00 N +ATOM 2851 H ARG A 186 2.513 25.956 -2.785 1.00 0.00 H +ATOM 2852 HA ARG A 186 5.333 26.323 -2.815 1.00 0.00 H +ATOM 2853 HB2 ARG A 186 4.994 24.518 -4.607 1.00 0.00 H +ATOM 2854 HB3 ARG A 186 4.165 25.750 -5.557 1.00 0.00 H +ATOM 2855 HG2 ARG A 186 6.484 25.705 -6.255 1.00 0.00 H +ATOM 2856 HG3 ARG A 186 6.216 27.193 -5.348 1.00 0.00 H +ATOM 2857 HD2 ARG A 186 8.265 26.288 -4.485 1.00 0.00 H +ATOM 2858 HD3 ARG A 186 7.039 25.863 -3.278 1.00 0.00 H +ATOM 2859 HE ARG A 186 6.927 23.733 -5.003 1.00 0.00 H +ATOM 2860 HH11 ARG A 186 9.886 24.984 -5.187 1.00 0.00 H +ATOM 2861 HH12 ARG A 186 10.722 23.771 -4.278 1.00 0.00 H +ATOM 2862 HH21 ARG A 186 7.824 22.316 -3.050 1.00 0.00 H +ATOM 2863 HH22 ARG A 186 9.555 22.259 -3.069 1.00 0.00 H +ATOM 2864 N SER A 187 2.810 27.869 -4.214 1.00 0.00 N +ATOM 2865 CA SER A 187 2.285 29.226 -4.523 1.00 0.00 C +ATOM 2866 C SER A 187 0.780 29.279 -4.259 1.00 0.00 C +ATOM 2867 O SER A 187 0.051 28.381 -4.618 1.00 0.00 O +ATOM 2868 CB SER A 187 2.578 29.430 -6.009 1.00 0.00 C +ATOM 2869 OG SER A 187 1.420 29.101 -6.765 1.00 0.00 O +ATOM 2870 H SER A 187 2.227 27.084 -4.306 1.00 0.00 H +ATOM 2871 HA SER A 187 2.799 29.973 -3.940 1.00 0.00 H +ATOM 2872 HB2 SER A 187 2.839 30.459 -6.189 1.00 0.00 H +ATOM 2873 HB3 SER A 187 3.404 28.795 -6.301 1.00 0.00 H +ATOM 2874 HG SER A 187 1.648 29.156 -7.696 1.00 0.00 H +ATOM 2875 N PHE A 188 0.307 30.325 -3.643 1.00 0.00 N +ATOM 2876 CA PHE A 188 -1.155 30.429 -3.373 1.00 0.00 C +ATOM 2877 C PHE A 188 -1.659 31.808 -3.800 1.00 0.00 C +ATOM 2878 O PHE A 188 -1.036 32.814 -3.522 1.00 0.00 O +ATOM 2879 CB PHE A 188 -1.311 30.230 -1.869 1.00 0.00 C +ATOM 2880 CG PHE A 188 -2.556 29.420 -1.631 1.00 0.00 C +ATOM 2881 CD1 PHE A 188 -3.784 29.891 -2.103 1.00 0.00 C +ATOM 2882 CD2 PHE A 188 -2.485 28.197 -0.957 1.00 0.00 C +ATOM 2883 CE1 PHE A 188 -4.943 29.142 -1.901 1.00 0.00 C +ATOM 2884 CE2 PHE A 188 -3.645 27.443 -0.755 1.00 0.00 C +ATOM 2885 CZ PHE A 188 -4.875 27.915 -1.227 1.00 0.00 C +ATOM 2886 H PHE A 188 0.910 31.045 -3.364 1.00 0.00 H +ATOM 2887 HA PHE A 188 -1.686 29.655 -3.902 1.00 0.00 H +ATOM 2888 HB2 PHE A 188 -0.451 29.703 -1.480 1.00 0.00 H +ATOM 2889 HB3 PHE A 188 -1.403 31.188 -1.382 1.00 0.00 H +ATOM 2890 HD1 PHE A 188 -3.836 30.837 -2.622 1.00 0.00 H +ATOM 2891 HD2 PHE A 188 -1.536 27.832 -0.597 1.00 0.00 H +ATOM 2892 HE1 PHE A 188 -5.890 29.508 -2.274 1.00 0.00 H +ATOM 2893 HE2 PHE A 188 -3.590 26.498 -0.234 1.00 0.00 H +ATOM 2894 HZ PHE A 188 -5.770 27.332 -1.072 1.00 0.00 H +ATOM 2895 N THR A 189 -2.762 31.873 -4.502 1.00 0.00 N +ATOM 2896 CA THR A 189 -3.248 33.206 -4.961 1.00 0.00 C +ATOM 2897 C THR A 189 -4.769 33.272 -5.125 1.00 0.00 C +ATOM 2898 O THR A 189 -5.473 32.288 -5.027 1.00 0.00 O +ATOM 2899 CB THR A 189 -2.586 33.381 -6.320 1.00 0.00 C +ATOM 2900 OG1 THR A 189 -2.367 32.105 -6.904 1.00 0.00 O +ATOM 2901 CG2 THR A 189 -1.256 34.095 -6.140 1.00 0.00 C +ATOM 2902 H THR A 189 -3.246 31.056 -4.745 1.00 0.00 H +ATOM 2903 HA THR A 189 -2.908 33.981 -4.295 1.00 0.00 H +ATOM 2904 HB THR A 189 -3.224 33.970 -6.959 1.00 0.00 H +ATOM 2905 HG1 THR A 189 -1.610 32.174 -7.491 1.00 0.00 H +ATOM 2906 HG21 THR A 189 -0.809 34.267 -7.106 1.00 0.00 H +ATOM 2907 HG22 THR A 189 -0.600 33.481 -5.541 1.00 0.00 H +ATOM 2908 HG23 THR A 189 -1.422 35.038 -5.643 1.00 0.00 H +ATOM 2909 N THR A 190 -5.258 34.453 -5.409 1.00 0.00 N +ATOM 2910 CA THR A 190 -6.719 34.656 -5.631 1.00 0.00 C +ATOM 2911 C THR A 190 -6.909 35.819 -6.612 1.00 0.00 C +ATOM 2912 O THR A 190 -6.392 36.900 -6.407 1.00 0.00 O +ATOM 2913 CB THR A 190 -7.297 35.002 -4.262 1.00 0.00 C +ATOM 2914 OG1 THR A 190 -6.688 34.185 -3.272 1.00 0.00 O +ATOM 2915 CG2 THR A 190 -8.807 34.761 -4.276 1.00 0.00 C +ATOM 2916 H THR A 190 -4.647 35.217 -5.497 1.00 0.00 H +ATOM 2917 HA THR A 190 -7.174 33.756 -6.014 1.00 0.00 H +ATOM 2918 HB THR A 190 -7.105 36.040 -4.043 1.00 0.00 H +ATOM 2919 HG1 THR A 190 -6.712 34.661 -2.439 1.00 0.00 H +ATOM 2920 HG21 THR A 190 -9.318 35.658 -3.961 1.00 0.00 H +ATOM 2921 HG22 THR A 190 -9.050 33.953 -3.602 1.00 0.00 H +ATOM 2922 HG23 THR A 190 -9.120 34.502 -5.276 1.00 0.00 H +ATOM 2923 N THR A 191 -7.616 35.606 -7.688 1.00 0.00 N +ATOM 2924 CA THR A 191 -7.795 36.700 -8.687 1.00 0.00 C +ATOM 2925 C THR A 191 -9.277 36.964 -8.983 1.00 0.00 C +ATOM 2926 O THR A 191 -10.093 36.065 -8.988 1.00 0.00 O +ATOM 2927 CB THR A 191 -7.105 36.170 -9.945 1.00 0.00 C +ATOM 2928 OG1 THR A 191 -7.188 34.753 -9.962 1.00 0.00 O +ATOM 2929 CG2 THR A 191 -5.637 36.588 -9.952 1.00 0.00 C +ATOM 2930 H THR A 191 -8.007 34.723 -7.852 1.00 0.00 H +ATOM 2931 HA THR A 191 -7.308 37.601 -8.355 1.00 0.00 H +ATOM 2932 HB THR A 191 -7.593 36.571 -10.819 1.00 0.00 H +ATOM 2933 HG1 THR A 191 -6.578 34.412 -9.303 1.00 0.00 H +ATOM 2934 HG21 THR A 191 -5.568 37.660 -10.045 1.00 0.00 H +ATOM 2935 HG22 THR A 191 -5.137 36.121 -10.789 1.00 0.00 H +ATOM 2936 HG23 THR A 191 -5.169 36.273 -9.032 1.00 0.00 H +ATOM 2937 N ILE A 192 -9.617 38.193 -9.269 1.00 0.00 N +ATOM 2938 CA ILE A 192 -11.031 38.522 -9.614 1.00 0.00 C +ATOM 2939 C ILE A 192 -11.117 38.737 -11.128 1.00 0.00 C +ATOM 2940 O ILE A 192 -10.708 39.758 -11.644 1.00 0.00 O +ATOM 2941 CB ILE A 192 -11.357 39.811 -8.842 1.00 0.00 C +ATOM 2942 CG1 ILE A 192 -11.943 39.450 -7.474 1.00 0.00 C +ATOM 2943 CG2 ILE A 192 -12.384 40.646 -9.615 1.00 0.00 C +ATOM 2944 CD1 ILE A 192 -11.982 40.697 -6.589 1.00 0.00 C +ATOM 2945 H ILE A 192 -8.934 38.896 -9.288 1.00 0.00 H +ATOM 2946 HA ILE A 192 -11.689 37.723 -9.307 1.00 0.00 H +ATOM 2947 HB ILE A 192 -10.455 40.389 -8.709 1.00 0.00 H +ATOM 2948 HG12 ILE A 192 -12.946 39.069 -7.603 1.00 0.00 H +ATOM 2949 HG13 ILE A 192 -11.331 38.696 -7.006 1.00 0.00 H +ATOM 2950 HG21 ILE A 192 -12.874 41.331 -8.939 1.00 0.00 H +ATOM 2951 HG22 ILE A 192 -13.119 39.991 -10.060 1.00 0.00 H +ATOM 2952 HG23 ILE A 192 -11.882 41.204 -10.392 1.00 0.00 H +ATOM 2953 HD11 ILE A 192 -11.446 41.500 -7.073 1.00 0.00 H +ATOM 2954 HD12 ILE A 192 -11.520 40.479 -5.638 1.00 0.00 H +ATOM 2955 HD13 ILE A 192 -13.008 40.994 -6.430 1.00 0.00 H +ATOM 2956 N HIS A 193 -11.623 37.774 -11.845 1.00 0.00 N +ATOM 2957 CA HIS A 193 -11.705 37.916 -13.326 1.00 0.00 C +ATOM 2958 C HIS A 193 -13.031 38.560 -13.737 1.00 0.00 C +ATOM 2959 O HIS A 193 -14.063 38.320 -13.144 1.00 0.00 O +ATOM 2960 CB HIS A 193 -11.616 36.485 -13.855 1.00 0.00 C +ATOM 2961 CG HIS A 193 -10.392 36.340 -14.715 1.00 0.00 C +ATOM 2962 ND1 HIS A 193 -9.977 37.333 -15.588 1.00 0.00 N +ATOM 2963 CD2 HIS A 193 -9.476 35.326 -14.837 1.00 0.00 C +ATOM 2964 CE1 HIS A 193 -8.855 36.898 -16.191 1.00 0.00 C +ATOM 2965 NE2 HIS A 193 -8.506 35.679 -15.770 1.00 0.00 N +ATOM 2966 H HIS A 193 -11.931 36.950 -11.413 1.00 0.00 H +ATOM 2967 HA HIS A 193 -10.874 38.495 -13.695 1.00 0.00 H +ATOM 2968 HB2 HIS A 193 -11.550 35.801 -13.021 1.00 0.00 H +ATOM 2969 HB3 HIS A 193 -12.498 36.258 -14.434 1.00 0.00 H +ATOM 2970 HD1 HIS A 193 -10.419 38.194 -15.738 1.00 0.00 H +ATOM 2971 HD2 HIS A 193 -9.503 34.395 -14.290 1.00 0.00 H +ATOM 2972 HE1 HIS A 193 -8.302 37.465 -16.922 1.00 0.00 H +ATOM 2973 N LYS A 194 -13.007 39.373 -14.758 1.00 0.00 N +ATOM 2974 CA LYS A 194 -14.262 40.030 -15.224 1.00 0.00 C +ATOM 2975 C LYS A 194 -14.764 39.337 -16.493 1.00 0.00 C +ATOM 2976 O LYS A 194 -13.990 38.963 -17.351 1.00 0.00 O +ATOM 2977 CB LYS A 194 -13.864 41.475 -15.520 1.00 0.00 C +ATOM 2978 CG LYS A 194 -15.063 42.394 -15.280 1.00 0.00 C +ATOM 2979 CD LYS A 194 -14.947 43.626 -16.178 1.00 0.00 C +ATOM 2980 CE LYS A 194 -15.720 44.789 -15.552 1.00 0.00 C +ATOM 2981 NZ LYS A 194 -15.460 45.950 -16.447 1.00 0.00 N +ATOM 2982 H LYS A 194 -12.163 39.546 -15.225 1.00 0.00 H +ATOM 2983 HA LYS A 194 -15.014 40.003 -14.452 1.00 0.00 H +ATOM 2984 HB2 LYS A 194 -13.051 41.765 -14.870 1.00 0.00 H +ATOM 2985 HB3 LYS A 194 -13.549 41.558 -16.550 1.00 0.00 H +ATOM 2986 HG2 LYS A 194 -15.975 41.862 -15.511 1.00 0.00 H +ATOM 2987 HG3 LYS A 194 -15.078 42.704 -14.246 1.00 0.00 H +ATOM 2988 HD2 LYS A 194 -13.907 43.899 -16.281 1.00 0.00 H +ATOM 2989 HD3 LYS A 194 -15.360 43.404 -17.150 1.00 0.00 H +ATOM 2990 HE2 LYS A 194 -16.777 44.562 -15.523 1.00 0.00 H +ATOM 2991 HE3 LYS A 194 -15.351 44.996 -14.560 1.00 0.00 H +ATOM 2992 HZ1 LYS A 194 -14.656 46.498 -16.080 1.00 0.00 H +ATOM 2993 HZ2 LYS A 194 -16.306 46.555 -16.483 1.00 0.00 H +ATOM 2994 HZ3 LYS A 194 -15.236 45.609 -17.403 1.00 0.00 H +ATOM 2995 N VAL A 195 -16.050 39.151 -16.618 1.00 0.00 N +ATOM 2996 CA VAL A 195 -16.582 38.469 -17.837 1.00 0.00 C +ATOM 2997 C VAL A 195 -17.788 39.237 -18.386 1.00 0.00 C +ATOM 2998 O VAL A 195 -18.450 39.964 -17.673 1.00 0.00 O +ATOM 2999 CB VAL A 195 -17.007 37.064 -17.381 1.00 0.00 C +ATOM 3000 CG1 VAL A 195 -16.851 36.085 -18.546 1.00 0.00 C +ATOM 3001 CG2 VAL A 195 -16.132 36.591 -16.212 1.00 0.00 C +ATOM 3002 H VAL A 195 -16.662 39.451 -15.915 1.00 0.00 H +ATOM 3003 HA VAL A 195 -15.812 38.393 -18.589 1.00 0.00 H +ATOM 3004 HB VAL A 195 -18.042 37.087 -17.071 1.00 0.00 H +ATOM 3005 HG11 VAL A 195 -16.866 36.629 -19.478 1.00 0.00 H +ATOM 3006 HG12 VAL A 195 -17.665 35.375 -18.531 1.00 0.00 H +ATOM 3007 HG13 VAL A 195 -15.912 35.558 -18.451 1.00 0.00 H +ATOM 3008 HG21 VAL A 195 -16.501 35.644 -15.846 1.00 0.00 H +ATOM 3009 HG22 VAL A 195 -16.164 37.320 -15.417 1.00 0.00 H +ATOM 3010 HG23 VAL A 195 -15.112 36.471 -16.551 1.00 0.00 H +ATOM 3011 N ASN A 196 -18.079 39.079 -19.649 1.00 0.00 N +ATOM 3012 CA ASN A 196 -19.244 39.798 -20.243 1.00 0.00 C +ATOM 3013 C ASN A 196 -20.211 38.797 -20.881 1.00 0.00 C +ATOM 3014 O ASN A 196 -19.941 38.237 -21.925 1.00 0.00 O +ATOM 3015 CB ASN A 196 -18.643 40.717 -21.307 1.00 0.00 C +ATOM 3016 CG ASN A 196 -19.715 41.686 -21.808 1.00 0.00 C +ATOM 3017 OD1 ASN A 196 -20.031 41.707 -22.981 1.00 0.00 O +ATOM 3018 ND2 ASN A 196 -20.292 42.496 -20.963 1.00 0.00 N +ATOM 3019 H ASN A 196 -17.533 38.487 -20.207 1.00 0.00 H +ATOM 3020 HA ASN A 196 -19.748 40.384 -19.491 1.00 0.00 H +ATOM 3021 HB2 ASN A 196 -17.823 41.275 -20.879 1.00 0.00 H +ATOM 3022 HB3 ASN A 196 -18.283 40.123 -22.133 1.00 0.00 H +ATOM 3023 HD21 ASN A 196 -20.037 42.479 -20.016 1.00 0.00 H +ATOM 3024 HD22 ASN A 196 -20.980 43.120 -21.274 1.00 0.00 H +ATOM 3025 N SER A 197 -21.335 38.566 -20.260 1.00 0.00 N +ATOM 3026 CA SER A 197 -22.318 37.600 -20.831 1.00 0.00 C +ATOM 3027 C SER A 197 -21.647 36.244 -21.069 1.00 0.00 C +ATOM 3028 O SER A 197 -22.354 35.306 -21.400 1.00 0.00 O +ATOM 3029 CB SER A 197 -22.760 38.219 -22.156 1.00 0.00 C +ATOM 3030 OG SER A 197 -24.134 38.576 -22.073 1.00 0.00 O +ATOM 3031 OXT SER A 197 -20.439 36.168 -20.916 1.00 0.00 O +ATOM 3032 H SER A 197 -21.534 39.027 -19.419 1.00 0.00 H +ATOM 3033 HA SER A 197 -23.165 37.492 -20.173 1.00 0.00 H +ATOM 3034 HB2 SER A 197 -22.176 39.101 -22.357 1.00 0.00 H +ATOM 3035 HB3 SER A 197 -22.612 37.502 -22.954 1.00 0.00 H +ATOM 3036 HG SER A 197 -24.311 39.233 -22.749 1.00 0.00 H +TER 3037 SER A 197 +END diff --git a/bench/main_benchmark/structures/SFB_FS_MAD2_1DUJA_1GO4A/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_MAD2_1DUJA_1GO4A/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1ad0ff498c3280f666c8f05eb2c121f8a6e9669b --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_MAD2_1DUJA_1GO4A/state_b.pdb @@ -0,0 +1,1580 @@ +ATOM 1 N GLU A 8 33.581 14.994 92.452 1.00 59.92 N +ATOM 2 CA GLU A 8 33.461 14.976 90.967 1.00 60.92 C +ATOM 3 C GLU A 8 32.861 13.656 90.629 1.00 62.61 C +ATOM 4 O GLU A 8 33.463 12.623 90.924 1.00 61.52 O +ATOM 5 CB GLU A 8 34.845 15.053 90.276 1.00 63.42 C +ATOM 6 CG GLU A 8 35.672 16.268 90.794 1.00 63.73 C +ATOM 7 CD GLU A 8 36.851 16.209 90.073 1.00 65.55 C +ATOM 8 OE1 GLU A 8 36.896 15.169 89.337 1.00 60.98 O +ATOM 9 OE2 GLU A 8 37.813 17.086 90.109 1.00 59.14 O +ATOM 10 N GLN A 9 31.676 13.695 90.030 1.00 63.34 N +ATOM 11 CA GLN A 9 30.971 12.513 89.585 1.00 64.26 C +ATOM 12 C GLN A 9 30.030 12.884 88.522 1.00 66.40 C +ATOM 13 O GLN A 9 28.814 12.918 88.717 1.00 68.87 O +ATOM 14 CB GLN A 9 30.237 11.826 90.712 1.00 65.62 C +ATOM 15 CG GLN A 9 31.346 11.199 91.541 1.00 64.09 C +ATOM 16 CD GLN A 9 30.649 10.272 92.249 1.00 61.04 C +ATOM 17 OE1 GLN A 9 29.574 9.886 91.711 1.00 53.70 O +ATOM 18 NE2 GLN A 9 31.101 9.868 93.434 1.00 56.66 N +ATOM 19 N GLY A 10 30.660 13.190 87.399 1.00 66.65 N +ATOM 20 CA GLY A 10 29.289 14.104 86.714 1.00 68.02 C +ATOM 21 C GLY A 10 27.993 14.664 87.211 1.00 69.17 C +ATOM 22 O GLY A 10 27.731 14.804 88.412 1.00 69.69 O +ATOM 23 N ILE A 11 27.173 14.979 86.226 1.00 69.99 N +ATOM 24 CA ILE A 11 25.872 15.541 86.455 1.00 69.74 C +ATOM 25 C ILE A 11 24.860 14.609 85.869 1.00 69.14 C +ATOM 26 O ILE A 11 24.916 14.270 84.685 1.00 68.89 O +ATOM 27 CB ILE A 11 25.734 16.865 85.747 1.00 70.76 C +ATOM 28 CG1 ILE A 11 26.863 17.791 86.184 1.00 71.42 C +ATOM 29 CG2 ILE A 11 24.360 17.441 86.018 1.00 70.10 C +ATOM 30 CD1 ILE A 11 27.059 18.944 85.253 1.00 73.61 C +ATOM 31 N THR A 12 23.932 14.185 86.703 1.00 68.75 N +ATOM 32 CA THR A 12 22.892 13.304 86.245 1.00 69.56 C +ATOM 33 C THR A 12 21.713 14.210 85.963 1.00 69.65 C +ATOM 34 O THR A 12 21.807 15.423 86.146 1.00 69.37 O +ATOM 35 CB THR A 12 22.536 12.245 87.320 1.00 70.72 C +ATOM 36 OG1 THR A 12 22.145 12.887 88.544 1.00 70.50 O +ATOM 37 CG2 THR A 12 23.746 11.354 87.593 1.00 70.65 C +ATOM 38 N LEU A 13 20.619 13.633 85.488 1.00 69.40 N +ATOM 39 CA LEU A 13 19.444 14.421 85.206 1.00 69.34 C +ATOM 40 C LEU A 13 18.834 14.814 86.545 1.00 69.20 C +ATOM 41 O LEU A 13 18.476 15.967 86.742 1.00 68.68 O +ATOM 42 CB LEU A 13 18.446 13.616 84.377 1.00 69.75 C +ATOM 43 CG LEU A 13 17.087 14.271 84.095 1.00 71.05 C +ATOM 44 CD1 LEU A 13 17.266 15.486 83.201 1.00 70.28 C +ATOM 45 CD2 LEU A 13 16.159 13.255 83.435 1.00 70.79 C +ATOM 46 N ARG A 14 18.743 13.858 87.471 1.00 69.32 N +ATOM 47 CA ARG A 14 18.173 14.121 88.789 1.00 69.58 C +ATOM 48 C ARG A 14 19.035 15.114 89.559 1.00 68.28 C +ATOM 49 O ARG A 14 18.521 15.969 90.279 1.00 68.17 O +ATOM 50 CB ARG A 14 18.036 12.820 89.592 1.00 71.78 C +ATOM 51 CG ARG A 14 17.224 11.755 88.867 1.00 76.02 C +ATOM 52 CD ARG A 14 16.919 10.519 89.715 1.00 78.11 C +ATOM 53 NE ARG A 14 16.297 9.461 88.913 1.00 79.75 N +ATOM 54 CZ ARG A 14 15.977 8.253 89.373 1.00 80.75 C +ATOM 55 NH1 ARG A 14 16.217 7.934 90.640 1.00 80.44 N +ATOM 56 NH2 ARG A 14 15.420 7.359 88.564 1.00 80.58 N +ATOM 57 N GLY A 15 20.347 14.997 89.404 1.00 65.83 N +ATOM 58 CA GLY A 15 21.250 15.905 90.089 1.00 64.51 C +ATOM 59 C GLY A 15 21.115 17.345 89.607 1.00 63.18 C +ATOM 60 O GLY A 15 21.142 18.288 90.399 1.00 62.20 O +ATOM 61 N SER A 16 20.974 17.511 88.297 1.00 60.99 N +ATOM 62 CA SER A 16 20.827 18.829 87.705 1.00 59.15 C +ATOM 63 C SER A 16 19.545 19.489 88.229 1.00 58.88 C +ATOM 64 O SER A 16 19.534 20.662 88.595 1.00 57.82 O +ATOM 65 CB SER A 16 20.770 18.711 86.186 1.00 57.03 C +ATOM 66 OG SER A 16 20.606 19.979 85.594 1.00 54.55 O +ATOM 67 N ALA A 17 18.467 18.720 88.258 1.00 58.40 N +ATOM 68 CA ALA A 17 17.193 19.225 88.740 1.00 58.37 C +ATOM 69 C ALA A 17 17.281 19.639 90.213 1.00 58.07 C +ATOM 70 O ALA A 17 16.641 20.603 90.632 1.00 58.62 O +ATOM 71 CB ALA A 17 16.116 18.165 88.548 1.00 57.87 C +ATOM 72 N GLU A 18 18.069 18.911 90.994 1.00 58.18 N +ATOM 73 CA GLU A 18 18.231 19.220 92.414 1.00 59.94 C +ATOM 74 C GLU A 18 18.988 20.553 92.583 1.00 58.13 C +ATOM 75 O GLU A 18 18.601 21.392 93.391 1.00 55.90 O +ATOM 76 CB GLU A 18 18.971 18.073 93.128 1.00 62.49 C +ATOM 77 CG GLU A 18 19.013 18.176 94.665 1.00 68.28 C +ATOM 78 CD GLU A 18 19.109 16.805 95.363 1.00 72.41 C +ATOM 79 OE1 GLU A 18 18.142 16.008 95.242 1.00 74.66 O +ATOM 80 OE2 GLU A 18 20.143 16.516 96.031 1.00 73.89 O +ATOM 81 N ILE A 19 20.038 20.754 91.787 1.00 56.36 N +ATOM 82 CA ILE A 19 20.863 21.957 91.842 1.00 55.31 C +ATOM 83 C ILE A 19 20.100 23.181 91.341 1.00 53.62 C +ATOM 84 O ILE A 19 20.166 24.259 91.962 1.00 51.96 O +ATOM 85 CB ILE A 19 22.148 21.798 91.009 1.00 56.62 C +ATOM 86 CG1 ILE A 19 21.818 21.793 89.515 1.00 59.02 C +ATOM 87 CG2 ILE A 19 22.884 20.528 91.404 1.00 57.17 C +ATOM 88 CD1 ILE A 19 23.036 21.876 88.620 1.00 59.16 C +ATOM 89 N VAL A 20 19.394 23.054 90.222 1.00 51.11 N +ATOM 90 CA VAL A 20 18.644 24.177 89.661 1.00 49.97 C +ATOM 91 C VAL A 20 17.503 24.585 90.608 1.00 49.47 C +ATOM 92 O VAL A 20 17.290 25.769 90.850 1.00 47.85 O +ATOM 93 CB VAL A 20 18.078 23.832 88.254 1.00 50.33 C +ATOM 94 CG1 VAL A 20 17.076 24.887 87.811 1.00 48.49 C +ATOM 95 CG2 VAL A 20 19.224 23.767 87.231 1.00 50.17 C +ATOM 96 N ALA A 21 16.793 23.592 91.139 1.00 49.03 N +ATOM 97 CA ALA A 21 15.702 23.822 92.083 1.00 50.23 C +ATOM 98 C ALA A 21 16.227 24.636 93.271 1.00 50.74 C +ATOM 99 O ALA A 21 15.614 25.609 93.698 1.00 51.33 O +ATOM 100 CB ALA A 21 15.148 22.492 92.584 1.00 50.43 C +ATOM 101 N GLU A 22 17.369 24.225 93.801 1.00 49.96 N +ATOM 102 CA GLU A 22 17.958 24.911 94.928 1.00 50.32 C +ATOM 103 C GLU A 22 18.262 26.368 94.558 1.00 49.04 C +ATOM 104 O GLU A 22 17.956 27.283 95.334 1.00 47.09 O +ATOM 105 CB GLU A 22 19.230 24.184 95.369 1.00 53.58 C +ATOM 106 CG GLU A 22 19.786 24.649 96.690 1.00 55.75 C +ATOM 107 CD GLU A 22 21.111 23.995 97.000 1.00 59.48 C +ATOM 108 OE1 GLU A 22 22.023 24.061 96.143 1.00 60.67 O +ATOM 109 OE2 GLU A 22 21.246 23.419 98.098 1.00 62.48 O +ATOM 110 N PHE A 23 18.859 26.587 93.385 1.00 45.36 N +ATOM 111 CA PHE A 23 19.150 27.953 92.959 1.00 44.57 C +ATOM 112 C PHE A 23 17.861 28.771 93.008 1.00 44.31 C +ATOM 113 O PHE A 23 17.873 29.928 93.423 1.00 44.56 O +ATOM 114 CB PHE A 23 19.696 28.000 91.523 1.00 41.68 C +ATOM 115 CG PHE A 23 19.480 29.318 90.840 1.00 39.81 C +ATOM 116 CD1 PHE A 23 20.326 30.402 91.085 1.00 39.57 C +ATOM 117 CD2 PHE A 23 18.414 29.483 89.949 1.00 39.22 C +ATOM 118 CE1 PHE A 23 20.120 31.645 90.444 1.00 38.78 C +ATOM 119 CE2 PHE A 23 18.195 30.708 89.301 1.00 38.82 C +ATOM 120 CZ PHE A 23 19.043 31.793 89.546 1.00 37.62 C +ATOM 121 N PHE A 24 16.756 28.189 92.553 1.00 43.60 N +ATOM 122 CA PHE A 24 15.498 28.927 92.577 1.00 45.01 C +ATOM 123 C PHE A 24 14.985 29.232 93.996 1.00 44.00 C +ATOM 124 O PHE A 24 14.507 30.327 94.247 1.00 43.39 O +ATOM 125 CB PHE A 24 14.436 28.196 91.743 1.00 45.38 C +ATOM 126 CG PHE A 24 14.508 28.538 90.293 1.00 45.63 C +ATOM 127 CD1 PHE A 24 14.982 27.610 89.358 1.00 46.23 C +ATOM 128 CD2 PHE A 24 14.218 29.830 89.869 1.00 43.72 C +ATOM 129 CE1 PHE A 24 15.177 27.987 88.017 1.00 46.67 C +ATOM 130 CE2 PHE A 24 14.405 30.217 88.547 1.00 46.46 C +ATOM 131 CZ PHE A 24 14.893 29.289 87.609 1.00 47.28 C +ATOM 132 N SER A 25 15.096 28.265 94.906 1.00 44.13 N +ATOM 133 CA SER A 25 14.695 28.452 96.299 1.00 44.79 C +ATOM 134 C SER A 25 15.419 29.676 96.901 1.00 44.36 C +ATOM 135 O SER A 25 14.781 30.594 97.427 1.00 45.17 O +ATOM 136 CB SER A 25 15.036 27.205 97.123 1.00 46.13 C +ATOM 137 OG SER A 25 14.484 27.310 98.434 1.00 50.27 O +ATOM 138 N PHE A 26 16.745 29.698 96.803 1.00 42.25 N +ATOM 139 CA PHE A 26 17.526 30.805 97.332 1.00 42.73 C +ATOM 140 C PHE A 26 17.348 32.114 96.554 1.00 42.60 C +ATOM 141 O PHE A 26 17.222 33.183 97.156 1.00 42.79 O +ATOM 142 CB PHE A 26 19.020 30.429 97.418 1.00 43.05 C +ATOM 143 CG PHE A 26 19.337 29.469 98.545 1.00 45.76 C +ATOM 144 CD1 PHE A 26 19.294 28.092 98.344 1.00 44.89 C +ATOM 145 CD2 PHE A 26 19.630 29.954 99.825 1.00 44.84 C +ATOM 146 CE1 PHE A 26 19.538 27.202 99.409 1.00 46.93 C +ATOM 147 CE2 PHE A 26 19.876 29.074 100.895 1.00 45.40 C +ATOM 148 CZ PHE A 26 19.830 27.701 100.685 1.00 45.89 C +ATOM 149 N GLY A 27 17.324 32.048 95.229 1.00 39.82 N +ATOM 150 CA GLY A 27 17.160 33.282 94.471 1.00 38.78 C +ATOM 151 C GLY A 27 15.834 33.993 94.776 1.00 38.54 C +ATOM 152 O GLY A 27 15.776 35.222 94.946 1.00 37.75 O +ATOM 153 N ILE A 28 14.758 33.218 94.810 1.00 37.99 N +ATOM 154 CA ILE A 28 13.437 33.780 95.076 1.00 39.56 C +ATOM 155 C ILE A 28 13.433 34.420 96.474 1.00 38.77 C +ATOM 156 O ILE A 28 12.919 35.510 96.653 1.00 38.27 O +ATOM 157 CB ILE A 28 12.350 32.689 94.985 1.00 38.80 C +ATOM 158 CG1 ILE A 28 12.154 32.269 93.512 1.00 41.52 C +ATOM 159 CG2 ILE A 28 11.021 33.225 95.562 1.00 40.48 C +ATOM 160 CD1 ILE A 28 11.457 30.901 93.346 1.00 38.70 C +ATOM 161 N ASN A 29 14.024 33.739 97.449 1.00 39.51 N +ATOM 162 CA ASN A 29 14.108 34.275 98.821 1.00 39.09 C +ATOM 163 C ASN A 29 14.822 35.621 98.820 1.00 38.72 C +ATOM 164 O ASN A 29 14.339 36.603 99.424 1.00 38.87 O +ATOM 165 CB ASN A 29 14.841 33.282 99.746 1.00 38.16 C +ATOM 166 CG ASN A 29 13.881 32.417 100.556 1.00 39.82 C +ATOM 167 OD1 ASN A 29 13.297 32.868 101.547 1.00 39.61 O +ATOM 168 ND2 ASN A 29 13.700 31.178 100.130 1.00 39.42 N +ATOM 169 N SER A 30 15.953 35.694 98.120 1.00 36.47 N +ATOM 170 CA SER A 30 16.708 36.939 98.063 1.00 36.06 C +ATOM 171 C SER A 30 15.874 38.045 97.451 1.00 36.74 C +ATOM 172 O SER A 30 15.927 39.195 97.901 1.00 34.91 O +ATOM 173 CB SER A 30 18.020 36.774 97.250 1.00 36.01 C +ATOM 174 OG SER A 30 19.007 36.030 97.954 1.00 33.86 O +ATOM 175 N ILE A 31 15.119 37.724 96.401 1.00 38.22 N +ATOM 176 CA ILE A 31 14.308 38.758 95.766 1.00 37.29 C +ATOM 177 C ILE A 31 13.239 39.224 96.764 1.00 37.24 C +ATOM 178 O ILE A 31 13.046 40.410 96.963 1.00 37.26 O +ATOM 179 CB ILE A 31 13.615 38.228 94.474 1.00 38.03 C +ATOM 180 CG1 ILE A 31 14.673 37.924 93.392 1.00 35.71 C +ATOM 181 CG2 ILE A 31 12.597 39.261 93.945 1.00 32.93 C +ATOM 182 CD1 ILE A 31 14.117 37.053 92.208 1.00 38.50 C +ATOM 183 N LEU A 32 12.565 38.288 97.416 1.00 38.95 N +ATOM 184 CA LEU A 32 11.531 38.686 98.369 1.00 38.49 C +ATOM 185 C LEU A 32 12.080 39.591 99.474 1.00 38.87 C +ATOM 186 O LEU A 32 11.478 40.611 99.813 1.00 38.73 O +ATOM 187 CB LEU A 32 10.880 37.461 98.966 1.00 38.53 C +ATOM 188 CG LEU A 32 10.171 36.599 97.924 1.00 40.83 C +ATOM 189 CD1 LEU A 32 9.542 35.387 98.650 1.00 38.46 C +ATOM 190 CD2 LEU A 32 9.135 37.415 97.182 1.00 39.15 C +ATOM 191 N TYR A 33 13.225 39.219 100.029 1.00 37.81 N +ATOM 192 CA TYR A 33 13.848 40.009 101.076 1.00 38.32 C +ATOM 193 C TYR A 33 14.272 41.406 100.569 1.00 38.99 C +ATOM 194 O TYR A 33 13.876 42.448 101.123 1.00 39.69 O +ATOM 195 CB TYR A 33 15.071 39.263 101.621 1.00 37.89 C +ATOM 196 CG TYR A 33 15.902 40.124 102.544 1.00 39.40 C +ATOM 197 CD1 TYR A 33 15.439 40.468 103.818 1.00 40.38 C +ATOM 198 CD2 TYR A 33 17.099 40.673 102.116 1.00 39.36 C +ATOM 199 CE1 TYR A 33 16.165 41.346 104.632 1.00 41.73 C +ATOM 200 CE2 TYR A 33 17.827 41.544 102.909 1.00 39.94 C +ATOM 201 CZ TYR A 33 17.358 41.876 104.173 1.00 42.87 C +ATOM 202 OH TYR A 33 18.116 42.711 104.981 1.00 43.89 O +ATOM 203 N GLN A 34 15.065 41.423 99.502 1.00 36.72 N +ATOM 204 CA GLN A 34 15.601 42.663 98.942 1.00 37.38 C +ATOM 205 C GLN A 34 14.568 43.668 98.421 1.00 39.60 C +ATOM 206 O GLN A 34 14.766 44.885 98.526 1.00 36.31 O +ATOM 207 CB GLN A 34 16.597 42.338 97.811 1.00 38.98 C +ATOM 208 CG GLN A 34 17.912 41.652 98.265 1.00 39.40 C +ATOM 209 CD GLN A 34 18.674 41.066 97.085 1.00 40.45 C +ATOM 210 OE1 GLN A 34 18.522 41.527 95.945 1.00 43.52 O +ATOM 211 NE2 GLN A 34 19.497 40.070 97.343 1.00 34.02 N +ATOM 212 N ARG A 35 13.481 43.164 97.840 1.00 37.67 N +ATOM 213 CA ARG A 35 12.480 44.055 97.304 1.00 39.82 C +ATOM 214 C ARG A 35 11.444 44.445 98.380 1.00 41.50 C +ATOM 215 O ARG A 35 10.537 45.220 98.111 1.00 42.26 O +ATOM 216 CB ARG A 35 11.833 43.401 96.066 1.00 38.05 C +ATOM 217 CG ARG A 35 12.884 43.011 95.002 1.00 34.22 C +ATOM 218 CD ARG A 35 13.708 44.207 94.530 1.00 34.49 C +ATOM 219 NE ARG A 35 12.904 45.140 93.746 1.00 39.39 N +ATOM 220 CZ ARG A 35 12.789 46.439 94.009 1.00 40.64 C +ATOM 221 NH1 ARG A 35 13.426 46.973 95.057 1.00 37.62 N +ATOM 222 NH2 ARG A 35 12.050 47.208 93.218 1.00 38.68 N +ATOM 223 N GLY A 36 11.612 43.907 99.586 1.00 42.63 N +ATOM 224 CA GLY A 36 10.719 44.215 100.690 1.00 44.74 C +ATOM 225 C GLY A 36 9.311 43.678 100.541 1.00 46.40 C +ATOM 226 O GLY A 36 8.351 44.321 100.999 1.00 44.76 O +ATOM 227 N ILE A 37 9.168 42.505 99.917 1.00 45.76 N +ATOM 228 CA ILE A 37 7.842 41.925 99.738 1.00 44.83 C +ATOM 229 C ILE A 37 7.325 41.386 101.080 1.00 47.03 C +ATOM 230 O ILE A 37 6.111 41.242 101.295 1.00 46.19 O +ATOM 231 CB ILE A 37 7.855 40.779 98.700 1.00 43.96 C +ATOM 232 CG1 ILE A 37 8.515 41.243 97.390 1.00 40.67 C +ATOM 233 CG2 ILE A 37 6.442 40.298 98.469 1.00 42.52 C +ATOM 234 CD1 ILE A 37 7.951 42.531 96.785 1.00 40.37 C +ATOM 235 N TYR A 38 8.253 41.019 101.955 1.00 46.83 N +ATOM 236 CA TYR A 38 7.900 40.565 103.303 1.00 47.10 C +ATOM 237 C TYR A 38 8.837 41.335 104.227 1.00 46.91 C +ATOM 238 O TYR A 38 9.928 41.751 103.811 1.00 46.37 O +ATOM 239 CB TYR A 38 8.115 39.063 103.497 1.00 47.62 C +ATOM 240 CG TYR A 38 7.073 38.232 102.811 1.00 49.48 C +ATOM 241 CD1 TYR A 38 7.052 38.119 101.418 1.00 50.10 C +ATOM 242 CD2 TYR A 38 6.073 37.594 103.540 1.00 49.82 C +ATOM 243 CE1 TYR A 38 6.059 37.397 100.767 1.00 49.33 C +ATOM 244 CE2 TYR A 38 5.071 36.860 102.897 1.00 49.92 C +ATOM 245 CZ TYR A 38 5.072 36.772 101.505 1.00 50.81 C +ATOM 246 OH TYR A 38 4.072 36.081 100.848 1.00 51.32 O +ATOM 247 N PRO A 39 8.420 41.541 105.482 1.00 46.40 N +ATOM 248 CA PRO A 39 9.193 42.265 106.499 1.00 45.74 C +ATOM 249 C PRO A 39 10.595 41.704 106.690 1.00 45.27 C +ATOM 250 O PRO A 39 10.773 40.495 106.818 1.00 42.92 O +ATOM 251 CB PRO A 39 8.361 42.092 107.767 1.00 46.93 C +ATOM 252 CG PRO A 39 6.926 41.946 107.229 1.00 48.99 C +ATOM 253 CD PRO A 39 7.124 41.066 106.015 1.00 46.09 C +ATOM 254 N SER A 40 11.576 42.599 106.726 1.00 45.21 N +ATOM 255 CA SER A 40 12.958 42.209 106.913 1.00 47.44 C +ATOM 256 C SER A 40 13.150 41.242 108.093 1.00 50.04 C +ATOM 257 O SER A 40 13.944 40.275 108.003 1.00 47.68 O +ATOM 258 CB SER A 40 13.825 43.463 107.103 1.00 48.05 C +ATOM 259 OG SER A 40 13.283 44.344 108.092 1.00 48.70 O +ATOM 260 N GLU A 41 12.414 41.468 109.188 1.00 50.08 N +ATOM 261 CA GLU A 41 12.590 40.602 110.341 1.00 53.04 C +ATOM 262 C GLU A 41 12.089 39.167 110.149 1.00 53.15 C +ATOM 263 O GLU A 41 12.349 38.306 110.989 1.00 54.02 O +ATOM 264 CB GLU A 41 11.957 41.229 111.611 1.00 54.88 C +ATOM 265 CG GLU A 41 10.437 41.132 111.712 1.00 55.86 C +ATOM 266 CD GLU A 41 9.709 42.253 110.983 1.00 57.73 C +ATOM 267 OE1 GLU A 41 10.379 43.165 110.435 1.00 56.77 O +ATOM 268 OE2 GLU A 41 8.455 42.217 110.968 1.00 58.01 O +ATOM 269 N THR A 42 11.382 38.897 109.055 1.00 52.79 N +ATOM 270 CA THR A 42 10.893 37.541 108.807 1.00 51.79 C +ATOM 271 C THR A 42 11.886 36.684 108.010 1.00 51.00 C +ATOM 272 O THR A 42 11.547 35.583 107.565 1.00 52.07 O +ATOM 273 CB THR A 42 9.529 37.542 108.069 1.00 52.58 C +ATOM 274 OG1 THR A 42 9.677 38.138 106.775 1.00 49.78 O +ATOM 275 CG2 THR A 42 8.477 38.341 108.884 1.00 53.27 C +ATOM 276 N PHE A 43 13.103 37.188 107.830 1.00 49.22 N +ATOM 277 CA PHE A 43 14.158 36.442 107.134 1.00 48.70 C +ATOM 278 C PHE A 43 15.334 36.278 108.077 1.00 49.41 C +ATOM 279 O PHE A 43 15.525 37.091 108.974 1.00 50.74 O +ATOM 280 CB PHE A 43 14.663 37.197 105.901 1.00 46.00 C +ATOM 281 CG PHE A 43 13.625 37.382 104.824 1.00 44.79 C +ATOM 282 CD1 PHE A 43 12.732 38.440 104.875 1.00 42.81 C +ATOM 283 CD2 PHE A 43 13.568 36.510 103.742 1.00 44.99 C +ATOM 284 CE1 PHE A 43 11.791 38.638 103.855 1.00 45.49 C +ATOM 285 CE2 PHE A 43 12.623 36.699 102.710 1.00 45.36 C +ATOM 286 CZ PHE A 43 11.739 37.762 102.770 1.00 44.70 C +ATOM 287 N THR A 44 16.137 35.243 107.873 1.00 50.12 N +ATOM 288 CA THR A 44 17.308 35.046 108.706 1.00 50.23 C +ATOM 289 C THR A 44 18.504 34.832 107.784 1.00 50.63 C +ATOM 290 O THR A 44 18.351 34.397 106.635 1.00 49.38 O +ATOM 291 CB THR A 44 17.156 33.838 109.671 1.00 50.19 C +ATOM 292 OG1 THR A 44 18.357 33.704 110.441 1.00 52.20 O +ATOM 293 CG2 THR A 44 16.920 32.540 108.894 1.00 49.72 C +ATOM 294 N ARG A 45 19.697 35.144 108.279 1.00 50.40 N +ATOM 295 CA ARG A 45 20.892 35.011 107.467 1.00 51.36 C +ATOM 296 C ARG A 45 21.457 33.594 107.451 1.00 51.45 C +ATOM 297 O ARG A 45 21.456 32.898 108.464 1.00 50.57 O +ATOM 298 CB ARG A 45 21.960 35.993 107.961 1.00 53.67 C +ATOM 299 CG ARG A 45 21.543 37.443 107.806 1.00 57.20 C +ATOM 300 CD ARG A 45 22.546 38.419 108.421 1.00 58.77 C +ATOM 301 NE ARG A 45 22.058 39.794 108.276 1.00 61.68 N +ATOM 302 CZ ARG A 45 21.458 40.501 109.235 1.00 64.58 C +ATOM 303 NH1 ARG A 45 21.265 39.982 110.452 1.00 64.77 N +ATOM 304 NH2 ARG A 45 21.015 41.726 108.969 1.00 64.81 N +ATOM 305 N VAL A 46 21.927 33.160 106.288 1.00 50.73 N +ATOM 306 CA VAL A 46 22.540 31.841 106.175 1.00 51.41 C +ATOM 307 C VAL A 46 23.665 31.939 105.168 1.00 51.93 C +ATOM 308 O VAL A 46 23.780 32.940 104.457 1.00 52.11 O +ATOM 309 CB VAL A 46 21.540 30.761 105.696 1.00 52.30 C +ATOM 310 CG1 VAL A 46 20.459 30.536 106.752 1.00 51.97 C +ATOM 311 CG2 VAL A 46 20.925 31.171 104.370 1.00 52.05 C +ATOM 312 N GLN A 47 24.504 30.912 105.113 1.00 51.49 N +ATOM 313 CA GLN A 47 25.597 30.906 104.156 1.00 51.57 C +ATOM 314 C GLN A 47 25.291 29.870 103.096 1.00 49.73 C +ATOM 315 O GLN A 47 24.963 28.734 103.400 1.00 48.53 O +ATOM 316 CB GLN A 47 26.928 30.572 104.826 1.00 53.76 C +ATOM 317 CG GLN A 47 27.404 31.604 105.815 1.00 59.64 C +ATOM 318 CD GLN A 47 28.733 31.203 106.470 1.00 64.89 C +ATOM 319 OE1 GLN A 47 29.317 30.171 106.135 1.00 68.81 O +ATOM 320 NE2 GLN A 47 29.213 32.021 107.407 1.00 67.27 N +ATOM 321 N LYS A 48 25.377 30.287 101.845 1.00 47.61 N +ATOM 322 CA LYS A 48 25.127 29.391 100.733 1.00 46.07 C +ATOM 323 C LYS A 48 25.963 29.954 99.582 1.00 45.53 C +ATOM 324 O LYS A 48 26.068 31.190 99.430 1.00 42.34 O +ATOM 325 CB LYS A 48 23.626 29.383 100.391 1.00 46.64 C +ATOM 326 CG LYS A 48 23.212 28.291 99.416 1.00 47.27 C +ATOM 327 CD LYS A 48 23.496 26.927 99.989 1.00 49.19 C +ATOM 328 CE LYS A 48 23.320 25.874 98.908 1.00 52.20 C +ATOM 329 NZ LYS A 48 23.110 24.547 99.533 1.00 53.53 N +ATOM 330 N TYR A 49 26.568 29.050 98.804 1.00 42.32 N +ATOM 331 CA TYR A 49 27.426 29.418 97.676 1.00 43.74 C +ATOM 332 C TYR A 49 28.555 30.337 98.114 1.00 44.04 C +ATOM 333 O TYR A 49 29.071 31.083 97.290 1.00 44.57 O +ATOM 334 CB TYR A 49 26.639 30.152 96.570 1.00 44.77 C +ATOM 335 CG TYR A 49 25.378 29.462 96.110 1.00 45.48 C +ATOM 336 CD1 TYR A 49 24.126 30.061 96.291 1.00 46.79 C +ATOM 337 CD2 TYR A 49 25.425 28.192 95.532 1.00 46.06 C +ATOM 338 CE1 TYR A 49 22.945 29.409 95.911 1.00 47.31 C +ATOM 339 CE2 TYR A 49 24.262 27.533 95.156 1.00 46.22 C +ATOM 340 CZ TYR A 49 23.023 28.144 95.347 1.00 48.69 C +ATOM 341 OH TYR A 49 21.870 27.482 94.985 1.00 47.60 O +ATOM 342 N GLY A 50 28.934 30.304 99.394 1.00 42.92 N +ATOM 343 CA GLY A 50 29.998 31.185 99.870 1.00 43.30 C +ATOM 344 C GLY A 50 29.567 32.634 100.150 1.00 44.48 C +ATOM 345 O GLY A 50 30.379 33.506 100.483 1.00 43.66 O +ATOM 346 N LEU A 51 28.272 32.894 100.046 1.00 42.55 N +ATOM 347 CA LEU A 51 27.738 34.240 100.239 1.00 42.91 C +ATOM 348 C LEU A 51 26.824 34.251 101.460 1.00 40.76 C +ATOM 349 O LEU A 51 26.466 33.200 101.961 1.00 42.91 O +ATOM 350 CB LEU A 51 26.896 34.629 98.996 1.00 41.91 C +ATOM 351 CG LEU A 51 27.531 34.539 97.594 1.00 44.71 C +ATOM 352 CD1 LEU A 51 26.489 34.901 96.526 1.00 42.37 C +ATOM 353 CD2 LEU A 51 28.739 35.481 97.507 1.00 43.50 C +ATOM 354 N THR A 52 26.453 35.426 101.949 1.00 39.52 N +ATOM 355 CA THR A 52 25.490 35.479 103.053 1.00 39.83 C +ATOM 356 C THR A 52 24.164 35.825 102.365 1.00 39.71 C +ATOM 357 O THR A 52 24.045 36.836 101.684 1.00 39.10 O +ATOM 358 CB THR A 52 25.795 36.578 104.099 1.00 41.15 C +ATOM 359 OG1 THR A 52 27.050 36.309 104.749 1.00 43.03 O +ATOM 360 CG2 THR A 52 24.657 36.614 105.169 1.00 44.48 C +ATOM 361 N LEU A 53 23.174 34.979 102.540 1.00 38.68 N +ATOM 362 CA LEU A 53 21.883 35.186 101.903 1.00 40.83 C +ATOM 363 C LEU A 53 20.760 35.151 102.934 1.00 40.91 C +ATOM 364 O LEU A 53 20.901 34.547 103.997 1.00 42.60 O +ATOM 365 CB LEU A 53 21.657 34.091 100.833 1.00 39.66 C +ATOM 366 CG LEU A 53 22.694 34.028 99.684 1.00 40.00 C +ATOM 367 CD1 LEU A 53 22.378 32.847 98.733 1.00 36.38 C +ATOM 368 CD2 LEU A 53 22.688 35.358 98.899 1.00 35.44 C +ATOM 369 N LEU A 54 19.647 35.787 102.612 1.00 40.19 N +ATOM 370 CA LEU A 54 18.516 35.801 103.511 1.00 41.95 C +ATOM 371 C LEU A 54 17.433 34.849 103.059 1.00 42.86 C +ATOM 372 O LEU A 54 17.090 34.805 101.879 1.00 41.21 O +ATOM 373 CB LEU A 54 17.968 37.230 103.649 1.00 42.21 C +ATOM 374 CG LEU A 54 18.940 37.952 104.593 1.00 45.47 C +ATOM 375 CD1 LEU A 54 19.805 38.919 103.846 1.00 45.83 C +ATOM 376 CD2 LEU A 54 18.192 38.622 105.726 1.00 47.50 C +ATOM 377 N VAL A 55 16.917 34.051 103.996 1.00 42.11 N +ATOM 378 CA VAL A 55 15.838 33.140 103.677 1.00 44.23 C +ATOM 379 C VAL A 55 14.724 33.335 104.704 1.00 46.37 C +ATOM 380 O VAL A 55 14.976 33.645 105.868 1.00 46.48 O +ATOM 381 CB VAL A 55 16.311 31.653 103.649 1.00 45.04 C +ATOM 382 CG1 VAL A 55 17.301 31.441 102.505 1.00 41.75 C +ATOM 383 CG2 VAL A 55 16.944 31.270 104.977 1.00 44.58 C +ATOM 384 N THR A 56 13.492 33.147 104.262 1.00 48.75 N +ATOM 385 CA THR A 56 12.337 33.348 105.112 1.00 50.27 C +ATOM 386 C THR A 56 12.188 32.368 106.269 1.00 52.62 C +ATOM 387 O THR A 56 12.577 31.205 106.215 1.00 51.07 O +ATOM 388 CB THR A 56 11.022 33.375 104.270 1.00 50.09 C +ATOM 389 OG1 THR A 56 9.920 33.736 105.113 1.00 49.64 O +ATOM 390 CG2 THR A 56 10.752 32.017 103.622 1.00 49.25 C +ATOM 391 N THR A 57 11.606 32.888 107.335 1.00 55.25 N +ATOM 392 CA THR A 57 11.375 32.136 108.541 1.00 57.37 C +ATOM 393 C THR A 57 9.860 32.034 108.696 1.00 58.42 C +ATOM 394 O THR A 57 9.365 31.383 109.613 1.00 58.87 O +ATOM 395 CB THR A 57 11.983 32.892 109.720 1.00 57.84 C +ATOM 396 OG1 THR A 57 12.181 31.991 110.803 1.00 62.16 O +ATOM 397 CG2 THR A 57 11.091 34.018 110.140 1.00 57.17 C +ATOM 398 N ASP A 58 9.146 32.697 107.783 1.00 58.74 N +ATOM 399 CA ASP A 58 7.684 32.711 107.744 1.00 58.68 C +ATOM 400 C ASP A 58 7.156 31.347 107.311 1.00 59.76 C +ATOM 401 O ASP A 58 7.335 30.934 106.161 1.00 58.50 O +ATOM 402 CB ASP A 58 7.195 33.784 106.764 1.00 58.63 C +ATOM 403 CG ASP A 58 5.666 33.917 106.728 1.00 58.33 C +ATOM 404 OD1 ASP A 58 4.968 33.001 106.242 1.00 58.29 O +ATOM 405 OD2 ASP A 58 5.161 34.966 107.178 1.00 59.16 O +ATOM 406 N LEU A 59 6.497 30.664 108.247 1.00 60.21 N +ATOM 407 CA LEU A 59 5.923 29.344 108.023 1.00 60.61 C +ATOM 408 C LEU A 59 5.029 29.225 106.793 1.00 60.24 C +ATOM 409 O LEU A 59 5.106 28.240 106.057 1.00 60.58 O +ATOM 410 CB LEU A 59 5.125 28.916 109.260 1.00 61.96 C +ATOM 411 CG LEU A 59 5.971 28.601 110.491 1.00 64.23 C +ATOM 412 CD1 LEU A 59 5.072 28.400 111.710 1.00 65.57 C +ATOM 413 CD2 LEU A 59 6.799 27.356 110.220 1.00 63.86 C +ATOM 414 N GLU A 60 4.173 30.214 106.576 1.00 59.19 N +ATOM 415 CA GLU A 60 3.271 30.180 105.441 1.00 59.73 C +ATOM 416 C GLU A 60 4.026 30.287 104.112 1.00 58.03 C +ATOM 417 O GLU A 60 3.771 29.536 103.176 1.00 57.23 O +ATOM 418 CB GLU A 60 2.273 31.328 105.542 1.00 63.52 C +ATOM 419 CG GLU A 60 0.997 31.100 104.749 1.00 67.00 C +ATOM 420 CD GLU A 60 -0.014 30.242 105.517 1.00 69.85 C +ATOM 421 OE1 GLU A 60 0.257 29.041 105.775 1.00 70.18 O +ATOM 422 OE2 GLU A 60 -1.086 30.784 105.871 1.00 72.43 O +ATOM 423 N LEU A 61 4.936 31.253 104.038 1.00 56.35 N +ATOM 424 CA LEU A 61 5.741 31.483 102.846 1.00 55.00 C +ATOM 425 C LEU A 61 6.563 30.232 102.540 1.00 55.03 C +ATOM 426 O LEU A 61 6.709 29.814 101.383 1.00 53.56 O +ATOM 427 CB LEU A 61 6.674 32.674 103.088 1.00 52.44 C +ATOM 428 CG LEU A 61 7.586 33.087 101.930 1.00 51.66 C +ATOM 429 CD1 LEU A 61 6.792 33.199 100.611 1.00 49.32 C +ATOM 430 CD2 LEU A 61 8.250 34.410 102.291 1.00 49.52 C +ATOM 431 N ILE A 62 7.094 29.635 103.597 1.00 56.13 N +ATOM 432 CA ILE A 62 7.905 28.443 103.458 1.00 57.24 C +ATOM 433 C ILE A 62 7.101 27.326 102.814 1.00 58.11 C +ATOM 434 O ILE A 62 7.572 26.668 101.883 1.00 57.59 O +ATOM 435 CB ILE A 62 8.435 27.977 104.823 1.00 57.74 C +ATOM 436 CG1 ILE A 62 9.459 28.989 105.337 1.00 57.11 C +ATOM 437 CG2 ILE A 62 9.018 26.557 104.717 1.00 56.70 C +ATOM 438 CD1 ILE A 62 10.005 28.675 106.725 1.00 58.06 C +ATOM 439 N LYS A 63 5.875 27.124 103.286 1.00 58.68 N +ATOM 440 CA LYS A 63 5.049 26.057 102.740 1.00 58.81 C +ATOM 441 C LYS A 63 4.817 26.237 101.255 1.00 57.53 C +ATOM 442 O LYS A 63 4.945 25.280 100.484 1.00 58.14 O +ATOM 443 CB LYS A 63 3.694 25.975 103.450 1.00 61.20 C +ATOM 444 CG LYS A 63 2.823 24.820 102.934 1.00 64.80 C +ATOM 445 CD LYS A 63 1.329 24.941 103.303 1.00 68.03 C +ATOM 446 CE LYS A 63 1.044 24.629 104.780 1.00 69.40 C +ATOM 447 NZ LYS A 63 -0.435 24.554 105.058 1.00 70.57 N +ATOM 448 N TYR A 64 4.477 27.461 100.863 1.00 55.27 N +ATOM 449 CA TYR A 64 4.196 27.783 99.465 1.00 54.01 C +ATOM 450 C TYR A 64 5.423 27.631 98.560 1.00 53.86 C +ATOM 451 O TYR A 64 5.344 27.018 97.497 1.00 52.48 O +ATOM 452 CB TYR A 64 3.639 29.217 99.348 1.00 51.60 C +ATOM 453 CG TYR A 64 3.556 29.739 97.927 1.00 49.41 C +ATOM 454 CD1 TYR A 64 2.618 29.237 97.027 1.00 48.45 C +ATOM 455 CD2 TYR A 64 4.457 30.702 97.465 1.00 46.70 C +ATOM 456 CE1 TYR A 64 2.585 29.680 95.687 1.00 47.95 C +ATOM 457 CE2 TYR A 64 4.429 31.144 96.137 1.00 45.57 C +ATOM 458 CZ TYR A 64 3.495 30.627 95.253 1.00 46.32 C +ATOM 459 OH TYR A 64 3.495 31.047 93.938 1.00 45.09 O +ATOM 460 N LEU A 65 6.553 28.195 98.979 1.00 53.89 N +ATOM 461 CA LEU A 65 7.763 28.098 98.171 1.00 53.79 C +ATOM 462 C LEU A 65 8.132 26.623 98.001 1.00 53.94 C +ATOM 463 O LEU A 65 8.414 26.163 96.906 1.00 52.79 O +ATOM 464 CB LEU A 65 8.902 28.895 98.825 1.00 52.78 C +ATOM 465 CG LEU A 65 8.717 30.420 98.766 1.00 52.10 C +ATOM 466 CD1 LEU A 65 9.869 31.114 99.447 1.00 51.71 C +ATOM 467 CD2 LEU A 65 8.588 30.879 97.308 1.00 50.88 C +ATOM 468 N ASN A 66 8.093 25.874 99.088 1.00 56.33 N +ATOM 469 CA ASN A 66 8.420 24.466 99.005 1.00 59.04 C +ATOM 470 C ASN A 66 7.510 23.741 98.017 1.00 59.93 C +ATOM 471 O ASN A 66 7.985 22.949 97.199 1.00 60.32 O +ATOM 472 CB ASN A 66 8.326 23.811 100.371 1.00 60.37 C +ATOM 473 CG ASN A 66 8.763 22.371 100.335 1.00 63.61 C +ATOM 474 OD1 ASN A 66 9.906 22.063 99.974 1.00 63.96 O +ATOM 475 ND2 ASN A 66 7.856 21.470 100.692 1.00 64.37 N +ATOM 476 N ASN A 67 6.206 24.010 98.075 1.00 60.08 N +ATOM 477 CA ASN A 67 5.302 23.350 97.150 1.00 60.55 C +ATOM 478 C ASN A 67 5.699 23.667 95.722 1.00 60.35 C +ATOM 479 O ASN A 67 5.749 22.765 94.874 1.00 61.03 O +ATOM 480 CB ASN A 67 3.844 23.772 97.369 1.00 62.05 C +ATOM 481 CG ASN A 67 3.223 23.116 98.582 1.00 63.07 C +ATOM 482 OD1 ASN A 67 3.420 21.927 98.827 1.00 63.17 O +ATOM 483 ND2 ASN A 67 2.458 23.887 99.345 1.00 64.62 N +ATOM 484 N VAL A 68 5.977 24.941 95.444 1.00 58.40 N +ATOM 485 CA VAL A 68 6.354 25.321 94.094 1.00 57.23 C +ATOM 486 C VAL A 68 7.718 24.734 93.716 1.00 57.99 C +ATOM 487 O VAL A 68 7.859 24.141 92.648 1.00 57.80 O +ATOM 488 CB VAL A 68 6.375 26.844 93.926 1.00 56.14 C +ATOM 489 CG1 VAL A 68 7.009 27.219 92.593 1.00 54.73 C +ATOM 490 CG2 VAL A 68 4.958 27.381 93.991 1.00 55.06 C +ATOM 491 N VAL A 69 8.709 24.881 94.589 1.00 56.74 N +ATOM 492 CA VAL A 69 10.033 24.338 94.306 1.00 59.04 C +ATOM 493 C VAL A 69 9.983 22.825 94.066 1.00 60.15 C +ATOM 494 O VAL A 69 10.635 22.328 93.160 1.00 59.61 O +ATOM 495 CB VAL A 69 11.031 24.644 95.457 1.00 58.28 C +ATOM 496 CG1 VAL A 69 12.328 23.902 95.243 1.00 55.66 C +ATOM 497 CG2 VAL A 69 11.294 26.143 95.522 1.00 58.00 C +ATOM 498 N GLU A 70 9.208 22.098 94.874 1.00 62.83 N +ATOM 499 CA GLU A 70 9.094 20.646 94.716 1.00 64.44 C +ATOM 500 C GLU A 70 8.526 20.273 93.357 1.00 65.11 C +ATOM 501 O GLU A 70 9.008 19.330 92.717 1.00 65.29 O +ATOM 502 CB GLU A 70 8.217 20.041 95.808 1.00 66.61 C +ATOM 503 CG GLU A 70 8.844 20.095 97.187 1.00 70.23 C +ATOM 504 CD GLU A 70 10.192 19.402 97.231 1.00 72.60 C +ATOM 505 OE1 GLU A 70 10.248 18.182 96.951 1.00 75.28 O +ATOM 506 OE2 GLU A 70 11.197 20.073 97.545 1.00 73.04 O +ATOM 507 N GLN A 71 7.513 21.013 92.910 1.00 64.62 N +ATOM 508 CA GLN A 71 6.902 20.739 91.619 1.00 64.62 C +ATOM 509 C GLN A 71 7.822 21.142 90.476 1.00 64.21 C +ATOM 510 O GLN A 71 7.837 20.502 89.420 1.00 64.09 O +ATOM 511 CB GLN A 71 5.574 21.478 91.483 1.00 64.69 C +ATOM 512 CG GLN A 71 4.861 21.181 90.174 1.00 65.66 C +ATOM 513 CD GLN A 71 4.549 19.699 90.001 1.00 66.71 C +ATOM 514 OE1 GLN A 71 3.831 19.103 90.809 1.00 66.65 O +ATOM 515 NE2 GLN A 71 5.097 19.096 88.949 1.00 66.49 N +ATOM 516 N LEU A 72 8.583 22.209 90.693 1.00 63.30 N +ATOM 517 CA LEU A 72 9.519 22.712 89.697 1.00 63.05 C +ATOM 518 C LEU A 72 10.616 21.662 89.505 1.00 63.73 C +ATOM 519 O LEU A 72 11.103 21.457 88.401 1.00 62.13 O +ATOM 520 CB LEU A 72 10.166 24.007 90.188 1.00 62.55 C +ATOM 521 CG LEU A 72 10.767 25.007 89.200 1.00 62.38 C +ATOM 522 CD1 LEU A 72 11.950 25.696 89.859 1.00 62.64 C +ATOM 523 CD2 LEU A 72 11.213 24.334 87.951 1.00 62.41 C +ATOM 524 N LYS A 73 10.997 21.010 90.598 1.00 64.87 N +ATOM 525 CA LYS A 73 12.040 19.992 90.568 1.00 66.61 C +ATOM 526 C LYS A 73 11.547 18.791 89.765 1.00 67.15 C +ATOM 527 O LYS A 73 12.331 18.125 89.091 1.00 66.18 O +ATOM 528 CB LYS A 73 12.400 19.575 92.000 1.00 67.34 C +ATOM 529 CG LYS A 73 13.654 18.727 92.147 1.00 69.76 C +ATOM 530 CD LYS A 73 13.991 18.530 93.629 1.00 71.97 C +ATOM 531 CE LYS A 73 15.305 17.765 93.838 1.00 75.37 C +ATOM 532 NZ LYS A 73 15.224 16.301 93.498 1.00 76.84 N +ATOM 533 N ASP A 74 10.240 18.538 89.828 1.00 67.90 N +ATOM 534 CA ASP A 74 9.630 17.418 89.109 1.00 68.37 C +ATOM 535 C ASP A 74 9.650 17.686 87.618 1.00 68.36 C +ATOM 536 O ASP A 74 10.060 16.835 86.818 1.00 67.95 O +ATOM 537 CB ASP A 74 8.180 17.227 89.545 1.00 70.01 C +ATOM 538 CG ASP A 74 7.457 16.156 88.728 1.00 71.78 C +ATOM 539 OD1 ASP A 74 6.312 16.409 88.274 1.00 71.75 O +ATOM 540 OD2 ASP A 74 8.034 15.056 88.548 1.00 71.93 O +ATOM 541 N TRP A 75 9.189 18.878 87.253 1.00 67.40 N +ATOM 542 CA TRP A 75 9.133 19.280 85.866 1.00 66.92 C +ATOM 543 C TRP A 75 10.518 19.497 85.283 1.00 66.29 C +ATOM 544 O TRP A 75 10.684 19.516 84.061 1.00 66.76 O +ATOM 545 CB TRP A 75 8.295 20.546 85.717 1.00 67.93 C +ATOM 546 CG TRP A 75 6.857 20.336 86.044 1.00 69.65 C +ATOM 547 CD1 TRP A 75 6.172 19.153 86.019 1.00 69.97 C +ATOM 548 CD2 TRP A 75 5.903 21.344 86.412 1.00 70.39 C +ATOM 549 NE1 TRP A 75 4.853 19.362 86.340 1.00 70.69 N +ATOM 550 CE2 TRP A 75 4.657 20.696 86.578 1.00 70.08 C +ATOM 551 CE3 TRP A 75 5.976 22.733 86.598 1.00 69.62 C +ATOM 552 CZ2 TRP A 75 3.497 21.387 86.946 1.00 69.80 C +ATOM 553 CZ3 TRP A 75 4.820 23.418 86.961 1.00 69.55 C +ATOM 554 CH2 TRP A 75 3.597 22.744 87.123 1.00 69.48 C +ATOM 555 N LEU A 76 11.509 19.686 86.150 1.00 64.88 N +ATOM 556 CA LEU A 76 12.873 19.868 85.681 1.00 64.08 C +ATOM 557 C LEU A 76 13.388 18.470 85.315 1.00 64.20 C +ATOM 558 O LEU A 76 14.034 18.289 84.285 1.00 64.04 O +ATOM 559 CB LEU A 76 13.751 20.510 86.766 1.00 62.25 C +ATOM 560 CG LEU A 76 13.662 22.037 86.966 1.00 62.74 C +ATOM 561 CD1 LEU A 76 14.370 22.439 88.261 1.00 60.28 C +ATOM 562 CD2 LEU A 76 14.274 22.770 85.774 1.00 61.66 C +ATOM 563 N TYR A 77 13.081 17.481 86.146 1.00 64.11 N +ATOM 564 CA TYR A 77 13.524 16.127 85.857 1.00 65.41 C +ATOM 565 C TYR A 77 12.914 15.681 84.538 1.00 64.47 C +ATOM 566 O TYR A 77 13.596 15.111 83.697 1.00 64.74 O +ATOM 567 CB TYR A 77 13.104 15.160 86.959 1.00 67.79 C +ATOM 568 CG TYR A 77 13.531 13.740 86.664 1.00 70.36 C +ATOM 569 CD1 TYR A 77 14.873 13.377 86.700 1.00 71.99 C +ATOM 570 CD2 TYR A 77 12.594 12.766 86.316 1.00 72.00 C +ATOM 571 CE1 TYR A 77 15.276 12.083 86.397 1.00 73.58 C +ATOM 572 CE2 TYR A 77 12.983 11.468 86.010 1.00 72.97 C +ATOM 573 CZ TYR A 77 14.328 11.133 86.052 1.00 74.37 C +ATOM 574 OH TYR A 77 14.728 9.848 85.748 1.00 76.31 O +ATOM 575 N LYS A 78 11.630 15.960 84.356 1.00 63.39 N +ATOM 576 CA LYS A 78 10.932 15.593 83.136 1.00 63.05 C +ATOM 577 C LYS A 78 11.275 16.505 81.954 1.00 62.66 C +ATOM 578 O LYS A 78 10.809 16.288 80.831 1.00 61.48 O +ATOM 579 CB LYS A 78 9.426 15.607 83.391 1.00 64.77 C +ATOM 580 CG LYS A 78 8.979 14.627 84.476 1.00 65.65 C +ATOM 581 CD LYS A 78 7.503 14.804 84.801 1.00 66.95 C +ATOM 582 CE LYS A 78 7.042 13.779 85.820 1.00 67.77 C +ATOM 583 NZ LYS A 78 5.650 14.052 86.298 1.00 69.00 N +ATOM 584 N CYS A 79 12.077 17.536 82.210 1.00 62.04 N +ATOM 585 CA CYS A 79 12.491 18.474 81.169 1.00 61.51 C +ATOM 586 C CYS A 79 11.318 19.183 80.495 1.00 61.52 C +ATOM 587 O CYS A 79 11.413 19.618 79.343 1.00 62.20 O +ATOM 588 CB CYS A 79 13.321 17.725 80.123 1.00 62.95 C +ATOM 589 SG CYS A 79 14.800 16.926 80.814 1.00 63.51 S +ATOM 590 N SER A 80 10.227 19.329 81.239 1.00 61.12 N +ATOM 591 CA SER A 80 9.009 19.940 80.732 1.00 61.02 C +ATOM 592 C SER A 80 8.844 21.418 81.067 1.00 60.07 C +ATOM 593 O SER A 80 7.946 22.067 80.531 1.00 59.40 O +ATOM 594 CB SER A 80 7.797 19.179 81.274 1.00 62.96 C +ATOM 595 OG SER A 80 7.945 17.776 81.093 1.00 65.80 O +ATOM 596 N VAL A 81 9.689 21.950 81.950 1.00 56.98 N +ATOM 597 CA VAL A 81 9.587 23.356 82.325 1.00 54.96 C +ATOM 598 C VAL A 81 10.371 24.263 81.390 1.00 52.71 C +ATOM 599 O VAL A 81 11.539 24.015 81.109 1.00 53.70 O +ATOM 600 CB VAL A 81 10.096 23.602 83.763 1.00 55.54 C +ATOM 601 CG1 VAL A 81 11.491 23.034 83.914 1.00 55.29 C +ATOM 602 CG2 VAL A 81 10.109 25.114 84.063 1.00 55.09 C +ATOM 603 N GLN A 82 9.729 25.334 80.947 1.00 50.21 N +ATOM 604 CA GLN A 82 10.347 26.305 80.052 1.00 49.39 C +ATOM 605 C GLN A 82 10.716 27.655 80.709 1.00 49.96 C +ATOM 606 O GLN A 82 11.575 28.390 80.193 1.00 44.96 O +ATOM 607 CB GLN A 82 9.415 26.569 78.880 1.00 50.63 C +ATOM 608 CG GLN A 82 9.209 25.369 77.934 1.00 51.35 C +ATOM 609 CD GLN A 82 8.178 25.672 76.863 1.00 52.83 C +ATOM 610 OE1 GLN A 82 8.022 26.821 76.461 1.00 53.02 O +ATOM 611 NE2 GLN A 82 7.480 24.637 76.378 1.00 54.82 N +ATOM 612 N LYS A 83 10.049 27.995 81.816 1.00 49.74 N +ATOM 613 CA LYS A 83 10.337 29.265 82.529 1.00 50.55 C +ATOM 614 C LYS A 83 9.786 29.289 83.938 1.00 50.32 C +ATOM 615 O LYS A 83 8.882 28.528 84.278 1.00 49.36 O +ATOM 616 CB LYS A 83 9.691 30.486 81.865 1.00 51.04 C +ATOM 617 CG LYS A 83 10.204 30.977 80.542 1.00 51.92 C +ATOM 618 CD LYS A 83 9.489 32.277 80.226 1.00 50.88 C +ATOM 619 CE LYS A 83 9.305 32.515 78.737 1.00 52.78 C +ATOM 620 NZ LYS A 83 10.569 32.508 77.977 1.00 53.28 N +ATOM 621 N LEU A 84 10.335 30.213 84.734 1.00 50.59 N +ATOM 622 CA LEU A 84 9.882 30.485 86.096 1.00 48.50 C +ATOM 623 C LEU A 84 9.830 32.017 86.087 1.00 47.58 C +ATOM 624 O LEU A 84 10.795 32.664 85.691 1.00 46.54 O +ATOM 625 CB LEU A 84 10.891 29.983 87.144 1.00 49.88 C +ATOM 626 CG LEU A 84 10.764 30.171 88.683 1.00 50.14 C +ATOM 627 CD1 LEU A 84 10.437 31.606 89.011 1.00 49.02 C +ATOM 628 CD2 LEU A 84 9.750 29.230 89.284 1.00 49.96 C +ATOM 629 N VAL A 85 8.687 32.599 86.454 1.00 45.03 N +ATOM 630 CA VAL A 85 8.570 34.061 86.486 1.00 43.83 C +ATOM 631 C VAL A 85 8.139 34.447 87.898 1.00 42.90 C +ATOM 632 O VAL A 85 7.336 33.741 88.536 1.00 41.58 O +ATOM 633 CB VAL A 85 7.523 34.586 85.464 1.00 42.95 C +ATOM 634 CG1 VAL A 85 7.399 36.116 85.557 1.00 42.34 C +ATOM 635 CG2 VAL A 85 7.950 34.201 84.042 1.00 43.58 C +ATOM 636 N VAL A 86 8.729 35.527 88.397 1.00 42.94 N +ATOM 637 CA VAL A 86 8.403 36.014 89.726 1.00 41.55 C +ATOM 638 C VAL A 86 7.639 37.259 89.424 1.00 41.58 C +ATOM 639 O VAL A 86 8.214 38.224 88.944 1.00 39.99 O +ATOM 640 CB VAL A 86 9.655 36.372 90.557 1.00 42.94 C +ATOM 641 CG1 VAL A 86 9.207 37.017 91.928 1.00 42.19 C +ATOM 642 CG2 VAL A 86 10.483 35.078 90.840 1.00 40.26 C +ATOM 643 N VAL A 87 6.331 37.221 89.666 1.00 40.91 N +ATOM 644 CA VAL A 87 5.507 38.393 89.383 1.00 42.67 C +ATOM 645 C VAL A 87 5.247 39.226 90.641 1.00 40.58 C +ATOM 646 O VAL A 87 4.725 38.733 91.634 1.00 41.93 O +ATOM 647 CB VAL A 87 4.116 38.000 88.797 1.00 42.80 C +ATOM 648 CG1 VAL A 87 3.350 39.277 88.434 1.00 43.68 C +ATOM 649 CG2 VAL A 87 4.291 37.111 87.574 1.00 44.43 C +ATOM 650 N ILE A 88 5.600 40.492 90.586 1.00 40.74 N +ATOM 651 CA ILE A 88 5.378 41.344 91.736 1.00 42.56 C +ATOM 652 C ILE A 88 4.314 42.390 91.389 1.00 41.25 C +ATOM 653 O ILE A 88 4.536 43.240 90.539 1.00 40.92 O +ATOM 654 CB ILE A 88 6.694 42.026 92.159 1.00 40.02 C +ATOM 655 CG1 ILE A 88 7.617 40.972 92.805 1.00 40.18 C +ATOM 656 CG2 ILE A 88 6.396 43.209 93.083 1.00 41.90 C +ATOM 657 CD1 ILE A 88 9.059 41.469 93.068 1.00 38.19 C +ATOM 658 N SER A 89 3.174 42.335 92.071 1.00 41.63 N +ATOM 659 CA SER A 89 2.103 43.294 91.763 1.00 42.66 C +ATOM 660 C SER A 89 1.497 44.094 92.935 1.00 43.80 C +ATOM 661 O SER A 89 1.541 43.670 94.093 1.00 44.88 O +ATOM 662 CB SER A 89 0.970 42.558 91.050 1.00 40.84 C +ATOM 663 OG SER A 89 0.510 41.480 91.846 1.00 39.41 O +ATOM 664 N ASN A 90 0.934 45.247 92.583 1.00 45.80 N +ATOM 665 CA ASN A 90 0.231 46.155 93.503 1.00 47.64 C +ATOM 666 C ASN A 90 -0.967 45.310 93.915 1.00 49.75 C +ATOM 667 O ASN A 90 -1.785 44.948 93.068 1.00 50.23 O +ATOM 668 CB ASN A 90 -0.243 47.405 92.726 1.00 45.82 C +ATOM 669 CG ASN A 90 -1.108 48.372 93.580 1.00 45.80 C +ATOM 670 OD1 ASN A 90 -1.954 47.938 94.354 1.00 44.44 O +ATOM 671 ND2 ASN A 90 -0.894 49.678 93.410 1.00 42.05 N +ATOM 672 N ILE A 91 -1.056 44.965 95.192 1.00 51.67 N +ATOM 673 CA ILE A 91 -2.157 44.124 95.684 1.00 55.25 C +ATOM 674 C ILE A 91 -3.550 44.701 95.425 1.00 57.75 C +ATOM 675 O ILE A 91 -4.503 43.958 95.169 1.00 59.33 O +ATOM 676 CB ILE A 91 -2.041 43.889 97.193 1.00 54.80 C +ATOM 677 CG1 ILE A 91 -0.737 43.156 97.504 1.00 55.25 C +ATOM 678 CG2 ILE A 91 -3.234 43.098 97.682 1.00 54.09 C +ATOM 679 CD1 ILE A 91 -0.432 43.072 98.974 1.00 55.84 C +ATOM 680 N GLU A 92 -3.661 46.021 95.493 1.00 58.95 N +ATOM 681 CA GLU A 92 -4.941 46.682 95.287 1.00 60.72 C +ATOM 682 C GLU A 92 -5.367 46.818 93.823 1.00 59.16 C +ATOM 683 O GLU A 92 -6.432 46.341 93.447 1.00 58.97 O +ATOM 684 CB GLU A 92 -4.918 48.063 95.958 1.00 63.67 C +ATOM 685 CG GLU A 92 -6.210 48.856 95.812 1.00 70.29 C +ATOM 686 CD GLU A 92 -6.306 50.006 96.804 1.00 74.03 C +ATOM 687 OE1 GLU A 92 -5.402 50.883 96.813 1.00 75.02 O +ATOM 688 OE2 GLU A 92 -7.295 50.024 97.578 1.00 75.85 O +ATOM 689 N SER A 93 -4.541 47.457 93.002 1.00 57.46 N +ATOM 690 CA SER A 93 -4.877 47.669 91.597 1.00 56.73 C +ATOM 691 C SER A 93 -4.531 46.513 90.664 1.00 56.63 C +ATOM 692 O SER A 93 -4.929 46.515 89.492 1.00 56.94 O +ATOM 693 CB SER A 93 -4.163 48.898 91.082 1.00 57.10 C +ATOM 694 OG SER A 93 -2.813 48.571 90.822 1.00 56.29 O +ATOM 695 N GLY A 94 -3.778 45.544 91.175 1.00 55.36 N +ATOM 696 CA GLY A 94 -3.375 44.408 90.368 1.00 51.90 C +ATOM 697 C GLY A 94 -2.271 44.726 89.369 1.00 51.11 C +ATOM 698 O GLY A 94 -1.826 43.833 88.660 1.00 52.07 O +ATOM 699 N GLU A 95 -1.811 45.974 89.309 1.00 48.42 N +ATOM 700 CA GLU A 95 -0.772 46.325 88.363 1.00 49.09 C +ATOM 701 C GLU A 95 0.537 45.562 88.615 1.00 48.44 C +ATOM 702 O GLU A 95 0.966 45.400 89.755 1.00 47.57 O +ATOM 703 CB GLU A 95 -0.492 47.823 88.385 1.00 47.91 C +ATOM 704 CG GLU A 95 0.526 48.261 87.352 1.00 52.10 C +ATOM 705 CD GLU A 95 0.875 49.726 87.476 1.00 55.78 C +ATOM 706 OE1 GLU A 95 0.439 50.347 88.464 1.00 58.98 O +ATOM 707 OE2 GLU A 95 1.589 50.273 86.606 1.00 57.15 O +ATOM 708 N VAL A 96 1.150 45.083 87.536 1.00 47.27 N +ATOM 709 CA VAL A 96 2.409 44.362 87.636 1.00 45.60 C +ATOM 710 C VAL A 96 3.477 45.420 87.750 1.00 45.37 C +ATOM 711 O VAL A 96 3.632 46.234 86.843 1.00 44.18 O +ATOM 712 CB VAL A 96 2.693 43.524 86.385 1.00 45.88 C +ATOM 713 CG1 VAL A 96 4.118 42.933 86.488 1.00 44.45 C +ATOM 714 CG2 VAL A 96 1.678 42.407 86.290 1.00 43.71 C +ATOM 715 N LEU A 97 4.203 45.427 88.867 1.00 44.54 N +ATOM 716 CA LEU A 97 5.227 46.445 89.054 1.00 44.06 C +ATOM 717 C LEU A 97 6.649 45.963 88.760 1.00 42.12 C +ATOM 718 O LEU A 97 7.533 46.766 88.438 1.00 39.91 O +ATOM 719 CB LEU A 97 5.154 46.996 90.482 1.00 45.54 C +ATOM 720 CG LEU A 97 3.833 47.707 90.848 1.00 47.46 C +ATOM 721 CD1 LEU A 97 3.923 48.263 92.282 1.00 46.18 C +ATOM 722 CD2 LEU A 97 3.576 48.861 89.863 1.00 46.10 C +ATOM 723 N GLU A 98 6.865 44.662 88.907 1.00 42.79 N +ATOM 724 CA GLU A 98 8.182 44.088 88.645 1.00 41.38 C +ATOM 725 C GLU A 98 7.985 42.672 88.170 1.00 40.87 C +ATOM 726 O GLU A 98 7.060 41.979 88.608 1.00 40.72 O +ATOM 727 CB GLU A 98 9.043 44.089 89.911 1.00 40.32 C +ATOM 728 CG GLU A 98 10.546 43.974 89.638 1.00 37.58 C +ATOM 729 CD GLU A 98 11.393 44.577 90.776 1.00 41.30 C +ATOM 730 OE1 GLU A 98 11.507 45.826 90.863 1.00 39.10 O +ATOM 731 OE2 GLU A 98 11.936 43.792 91.594 1.00 43.33 O +ATOM 732 N ARG A 99 8.888 42.211 87.310 1.00 40.62 N +ATOM 733 CA ARG A 99 8.721 40.873 86.792 1.00 41.79 C +ATOM 734 C ARG A 99 10.078 40.216 86.541 1.00 40.74 C +ATOM 735 O ARG A 99 10.779 40.612 85.640 1.00 39.98 O +ATOM 736 CB ARG A 99 7.894 40.979 85.493 1.00 40.99 C +ATOM 737 CG ARG A 99 7.232 39.684 85.014 1.00 42.68 C +ATOM 738 CD ARG A 99 6.315 39.963 83.813 1.00 41.46 C +ATOM 739 NE ARG A 99 5.730 38.731 83.265 1.00 44.30 N +ATOM 740 CZ ARG A 99 6.406 37.844 82.522 1.00 45.89 C +ATOM 741 NH1 ARG A 99 7.696 38.051 82.243 1.00 44.74 N +ATOM 742 NH2 ARG A 99 5.789 36.765 82.025 1.00 41.79 N +ATOM 743 N TRP A 100 10.449 39.225 87.350 1.00 41.06 N +ATOM 744 CA TRP A 100 11.725 38.543 87.145 1.00 41.74 C +ATOM 745 C TRP A 100 11.425 37.319 86.279 1.00 41.37 C +ATOM 746 O TRP A 100 10.653 36.468 86.675 1.00 42.56 O +ATOM 747 CB TRP A 100 12.366 38.090 88.480 1.00 40.44 C +ATOM 748 CG TRP A 100 12.757 39.233 89.399 1.00 41.93 C +ATOM 749 CD1 TRP A 100 11.922 40.148 89.969 1.00 41.40 C +ATOM 750 CD2 TRP A 100 14.082 39.585 89.823 1.00 41.63 C +ATOM 751 NE1 TRP A 100 12.644 41.054 90.724 1.00 40.43 N +ATOM 752 CE2 TRP A 100 13.970 40.724 90.656 1.00 42.77 C +ATOM 753 CE3 TRP A 100 15.349 39.040 89.592 1.00 42.62 C +ATOM 754 CZ2 TRP A 100 15.089 41.340 91.250 1.00 40.73 C +ATOM 755 CZ3 TRP A 100 16.456 39.651 90.182 1.00 42.66 C +ATOM 756 CH2 TRP A 100 16.315 40.787 91.002 1.00 41.26 C +ATOM 757 N GLN A 101 12.043 37.232 85.103 1.00 42.05 N +ATOM 758 CA GLN A 101 11.801 36.078 84.228 1.00 41.39 C +ATOM 759 C GLN A 101 13.044 35.196 84.121 1.00 41.18 C +ATOM 760 O GLN A 101 14.119 35.668 83.765 1.00 39.69 O +ATOM 761 CB GLN A 101 11.385 36.557 82.831 1.00 43.21 C +ATOM 762 CG GLN A 101 11.228 35.426 81.796 1.00 45.57 C +ATOM 763 CD GLN A 101 10.559 35.903 80.500 1.00 47.60 C +ATOM 764 OE1 GLN A 101 11.192 35.984 79.445 1.00 49.61 O +ATOM 765 NE2 GLN A 101 9.277 36.233 80.587 1.00 46.98 N +ATOM 766 N PHE A 102 12.889 33.915 84.433 1.00 41.78 N +ATOM 767 CA PHE A 102 14.005 32.979 84.345 1.00 42.94 C +ATOM 768 C PHE A 102 13.762 31.951 83.212 1.00 44.48 C +ATOM 769 O PHE A 102 12.942 31.048 83.376 1.00 45.18 O +ATOM 770 CB PHE A 102 14.172 32.237 85.676 1.00 40.84 C +ATOM 771 CG PHE A 102 14.531 33.142 86.836 1.00 42.79 C +ATOM 772 CD1 PHE A 102 13.529 33.786 87.582 1.00 39.49 C +ATOM 773 CD2 PHE A 102 15.875 33.385 87.157 1.00 40.20 C +ATOM 774 CE1 PHE A 102 13.868 34.661 88.624 1.00 39.99 C +ATOM 775 CE2 PHE A 102 16.222 34.249 88.192 1.00 38.27 C +ATOM 776 CZ PHE A 102 15.214 34.892 88.932 1.00 39.62 C +ATOM 777 N ASP A 103 14.451 32.101 82.082 1.00 45.08 N +ATOM 778 CA ASP A 103 14.294 31.148 80.966 1.00 49.58 C +ATOM 779 C ASP A 103 15.046 29.855 81.275 1.00 49.59 C +ATOM 780 O ASP A 103 16.236 29.889 81.535 1.00 50.29 O +ATOM 781 CB ASP A 103 14.819 31.746 79.662 1.00 50.18 C +ATOM 782 CG ASP A 103 14.095 33.031 79.279 1.00 53.32 C +ATOM 783 OD1 ASP A 103 12.888 33.168 79.584 1.00 54.27 O +ATOM 784 OD2 ASP A 103 14.728 33.903 78.655 1.00 56.51 O +ATOM 785 N ILE A 104 14.335 28.733 81.257 1.00 50.05 N +ATOM 786 CA ILE A 104 14.915 27.430 81.557 1.00 52.29 C +ATOM 787 C ILE A 104 14.919 26.489 80.336 1.00 55.14 C +ATOM 788 O ILE A 104 13.861 26.090 79.848 1.00 54.40 O +ATOM 789 CB ILE A 104 14.124 26.733 82.678 1.00 51.44 C +ATOM 790 CG1 ILE A 104 14.126 27.589 83.954 1.00 49.18 C +ATOM 791 CG2 ILE A 104 14.707 25.353 82.958 1.00 49.47 C +ATOM 792 CD1 ILE A 104 13.367 26.938 85.082 1.00 49.11 C +ATOM 793 N GLU A 105 16.111 26.138 79.855 1.00 57.58 N +ATOM 794 CA GLU A 105 16.251 25.232 78.707 1.00 60.60 C +ATOM 795 C GLU A 105 16.674 23.835 79.158 1.00 61.07 C +ATOM 796 O GLU A 105 17.806 23.639 79.601 1.00 60.58 O +ATOM 797 CB GLU A 105 17.289 25.775 77.728 1.00 61.89 C +ATOM 798 CG GLU A 105 16.890 27.083 77.060 1.00 66.40 C +ATOM 799 CD GLU A 105 17.910 27.538 76.013 1.00 70.69 C +ATOM 800 OE1 GLU A 105 18.434 26.658 75.279 1.00 71.36 O +ATOM 801 OE2 GLU A 105 18.179 28.766 75.915 1.00 71.80 O +ATOM 802 N CYS A 106 15.761 22.876 79.042 1.00 61.84 N +ATOM 803 CA CYS A 106 16.022 21.496 79.430 1.00 64.19 C +ATOM 804 C CYS A 106 16.471 20.678 78.219 1.00 66.16 C +ATOM 805 O CYS A 106 15.863 20.771 77.151 1.00 65.20 O +ATOM 806 CB CYS A 106 14.755 20.840 80.002 1.00 64.20 C +ATOM 807 SG CYS A 106 13.956 21.682 81.410 1.00 63.71 S +ATOM 808 N ASP A 107 17.528 19.883 78.381 1.00 67.91 N +ATOM 809 CA ASP A 107 17.995 19.042 77.281 1.00 69.77 C +ATOM 810 C ASP A 107 17.329 17.690 77.432 1.00 71.41 C +ATOM 811 O ASP A 107 17.763 16.861 78.228 1.00 71.35 O +ATOM 812 CB ASP A 107 19.511 18.871 77.310 1.00 69.99 C +ATOM 813 CG ASP A 107 20.001 17.865 76.266 1.00 70.67 C +ATOM 814 OD1 ASP A 107 19.212 17.515 75.355 1.00 71.00 O +ATOM 815 OD2 ASP A 107 21.166 17.430 76.353 1.00 68.42 O +ATOM 816 N LYS A 108 16.267 17.475 76.667 1.00 73.61 N +ATOM 817 CA LYS A 108 15.514 16.230 76.737 1.00 76.89 C +ATOM 818 C LYS A 108 16.321 14.955 76.468 1.00 78.42 C +ATOM 819 O LYS A 108 15.815 13.852 76.670 1.00 78.39 O +ATOM 820 CB LYS A 108 14.318 16.299 75.785 1.00 77.11 C +ATOM 821 CG LYS A 108 13.295 17.375 76.141 1.00 77.63 C +ATOM 822 CD LYS A 108 12.137 17.373 75.158 1.00 77.81 C +ATOM 823 CE LYS A 108 11.039 18.338 75.575 1.00 78.64 C +ATOM 824 NZ LYS A 108 11.484 19.755 75.480 1.00 78.72 N +ATOM 825 N THR A 109 17.573 15.096 76.040 1.00 80.56 N +ATOM 826 CA THR A 109 18.396 13.922 75.759 1.00 83.01 C +ATOM 827 C THR A 109 19.141 13.392 76.979 1.00 84.61 C +ATOM 828 O THR A 109 19.619 12.258 76.967 1.00 85.19 O +ATOM 829 CB THR A 109 19.437 14.213 74.674 1.00 82.92 C +ATOM 830 OG1 THR A 109 20.503 14.991 75.230 1.00 83.93 O +ATOM 831 CG2 THR A 109 18.806 14.978 73.529 1.00 83.03 C +ATOM 832 N ALA A 110 19.240 14.205 78.028 1.00 86.17 N +ATOM 833 CA ALA A 110 19.949 13.808 79.246 1.00 88.67 C +ATOM 834 C ALA A 110 19.368 12.561 79.909 1.00 90.06 C +ATOM 835 O ALA A 110 19.909 12.053 80.892 1.00 90.61 O +ATOM 836 CB ALA A 110 19.964 14.968 80.249 1.00 88.75 C +ATOM 837 N LYS A 111 18.266 12.068 79.368 1.00 91.65 N +ATOM 838 CA LYS A 111 17.619 10.889 79.924 1.00 93.47 C +ATOM 839 C LYS A 111 18.054 9.676 79.133 1.00 93.50 C +ATOM 840 O LYS A 111 18.087 8.559 79.646 1.00 93.75 O +ATOM 841 CB LYS A 111 16.116 11.058 79.831 1.00 94.50 C +ATOM 842 CG LYS A 111 15.697 12.453 80.201 1.00 96.37 C +ATOM 843 CD LYS A 111 14.207 12.584 80.187 1.00 97.28 C +ATOM 844 CE LYS A 111 13.771 13.702 81.097 1.00 97.54 C +ATOM 845 NZ LYS A 111 12.600 13.245 81.896 1.00 97.75 N +ATOM 846 N ASP A 112 18.375 9.916 77.869 1.00 93.42 N +ATOM 847 CA ASP A 112 18.835 8.859 76.987 1.00 93.56 C +ATOM 848 C ASP A 112 20.343 8.789 77.153 1.00 92.58 C +ATOM 849 O ASP A 112 21.056 8.337 76.254 1.00 93.39 O +ATOM 850 CB ASP A 112 18.507 9.180 75.524 1.00 94.92 C +ATOM 851 CG ASP A 112 17.023 9.285 75.267 1.00 95.83 C +ATOM 852 OD1 ASP A 112 16.294 8.323 75.582 1.00 96.50 O +ATOM 853 OD2 ASP A 112 16.590 10.332 74.742 1.00 97.33 O +ATOM 854 N ASP A 113 20.834 9.261 78.294 1.00 90.13 N +ATOM 855 CA ASP A 113 22.266 9.231 78.539 1.00 87.89 C +ATOM 856 C ASP A 113 22.731 7.977 79.262 1.00 85.64 C +ATOM 857 O ASP A 113 22.101 7.525 80.224 1.00 84.77 O +ATOM 858 CB ASP A 113 22.706 10.467 79.318 1.00 89.07 C +ATOM 859 CG ASP A 113 22.852 11.679 78.434 1.00 90.22 C +ATOM 860 OD1 ASP A 113 23.037 11.502 77.209 1.00 91.14 O +ATOM 861 OD2 ASP A 113 22.802 12.805 78.966 1.00 90.68 O +ATOM 862 N SER A 114 23.848 7.432 78.786 1.00 83.05 N +ATOM 863 CA SER A 114 24.440 6.228 79.356 1.00 80.73 C +ATOM 864 C SER A 114 25.099 6.534 80.702 1.00 79.29 C +ATOM 865 O SER A 114 24.885 5.825 81.689 1.00 78.25 O +ATOM 866 CB SER A 114 25.483 5.661 78.389 1.00 81.02 C +ATOM 867 OG SER A 114 26.468 6.640 78.080 1.00 80.20 O +ATOM 868 N ALA A 115 25.898 7.600 80.733 1.00 77.63 N +ATOM 869 CA ALA A 115 26.606 7.997 81.952 1.00 75.93 C +ATOM 870 C ALA A 115 26.492 9.496 82.229 1.00 74.84 C +ATOM 871 O ALA A 115 26.131 10.279 81.351 1.00 73.44 O +ATOM 872 CB ALA A 115 28.084 7.602 81.842 1.00 75.14 C +ATOM 873 N PRO A 116 26.810 9.910 83.465 1.00 74.82 N +ATOM 874 CA PRO A 116 26.748 11.319 83.865 1.00 74.84 C +ATOM 875 C PRO A 116 27.416 12.193 82.817 1.00 75.25 C +ATOM 876 O PRO A 116 28.225 11.707 82.026 1.00 73.99 O +ATOM 877 CB PRO A 116 27.516 11.333 85.186 1.00 74.37 C +ATOM 878 CG PRO A 116 27.202 9.992 85.764 1.00 74.05 C +ATOM 879 CD PRO A 116 27.340 9.078 84.562 1.00 74.44 C +ATOM 880 N ARG A 117 27.071 13.476 82.805 1.00 76.35 N +ATOM 881 CA ARG A 117 27.675 14.402 81.864 1.00 76.98 C +ATOM 882 C ARG A 117 28.920 14.961 82.526 1.00 78.28 C +ATOM 883 O ARG A 117 29.036 14.959 83.749 1.00 78.42 O +ATOM 884 CB ARG A 117 26.689 15.508 81.500 1.00 77.22 C +ATOM 885 CG ARG A 117 25.443 14.950 80.847 1.00 76.03 C +ATOM 886 CD ARG A 117 24.907 15.860 79.772 1.00 75.47 C +ATOM 887 NE ARG A 117 23.889 15.174 78.990 1.00 74.82 N +ATOM 888 CZ ARG A 117 23.106 15.767 78.101 1.00 75.42 C +ATOM 889 NH1 ARG A 117 23.225 17.071 77.884 1.00 75.03 N +ATOM 890 NH2 ARG A 117 22.207 15.059 77.425 1.00 74.43 N +ATOM 891 N GLU A 118 29.852 15.445 81.717 1.00 79.73 N +ATOM 892 CA GLU A 118 31.113 15.945 82.234 1.00 81.01 C +ATOM 893 C GLU A 118 31.201 17.449 82.487 1.00 80.40 C +ATOM 894 O GLU A 118 31.447 18.239 81.571 1.00 80.86 O +ATOM 895 CB GLU A 118 32.229 15.512 81.281 1.00 83.07 C +ATOM 896 CG GLU A 118 33.601 15.333 81.904 1.00 86.23 C +ATOM 897 CD GLU A 118 34.374 14.187 81.246 1.00 88.44 C +ATOM 898 OE1 GLU A 118 34.006 13.010 81.482 1.00 88.75 O +ATOM 899 OE2 GLU A 118 35.335 14.463 80.487 1.00 88.95 O +ATOM 900 N LYS A 119 30.981 17.842 83.735 1.00 78.93 N +ATOM 901 CA LYS A 119 31.112 19.244 84.125 1.00 76.84 C +ATOM 902 C LYS A 119 31.466 19.322 85.602 1.00 75.59 C +ATOM 903 O LYS A 119 30.767 18.785 86.461 1.00 74.45 O +ATOM 904 CB LYS A 119 29.843 20.064 83.847 1.00 76.23 C +ATOM 905 CG LYS A 119 30.029 21.540 84.240 1.00 74.86 C +ATOM 906 CD LYS A 119 29.096 22.503 83.500 1.00 74.72 C +ATOM 907 CE LYS A 119 29.521 23.958 83.755 1.00 74.05 C +ATOM 908 NZ LYS A 119 28.865 24.963 82.873 1.00 71.96 N +ATOM 909 N SER A 120 32.585 19.977 85.876 1.00 75.08 N +ATOM 910 CA SER A 120 33.079 20.149 87.231 1.00 74.76 C +ATOM 911 C SER A 120 31.951 20.580 88.168 1.00 74.75 C +ATOM 912 O SER A 120 31.090 21.379 87.789 1.00 74.44 O +ATOM 913 CB SER A 120 34.189 21.203 87.214 1.00 74.38 C +ATOM 914 OG SER A 120 34.528 21.626 88.516 1.00 75.53 O +ATOM 915 N GLN A 121 31.931 20.033 89.379 1.00 74.25 N +ATOM 916 CA GLN A 121 30.911 20.427 90.348 1.00 73.84 C +ATOM 917 C GLN A 121 31.238 21.859 90.748 1.00 72.75 C +ATOM 918 O GLN A 121 30.348 22.676 90.981 1.00 73.04 O +ATOM 919 CB GLN A 121 30.955 19.525 91.579 1.00 75.58 C +ATOM 920 CG GLN A 121 30.100 18.279 91.456 1.00 77.26 C +ATOM 921 CD GLN A 121 28.623 18.610 91.462 1.00 78.70 C +ATOM 922 OE1 GLN A 121 28.094 19.132 92.450 1.00 80.23 O +ATOM 923 NE2 GLN A 121 27.946 18.318 90.359 1.00 78.71 N +ATOM 924 N LYS A 122 32.535 22.145 90.812 1.00 70.52 N +ATOM 925 CA LYS A 122 33.042 23.465 91.161 1.00 68.51 C +ATOM 926 C LYS A 122 32.659 24.501 90.105 1.00 65.38 C +ATOM 927 O LYS A 122 32.295 25.622 90.440 1.00 64.55 O +ATOM 928 CB LYS A 122 34.573 23.416 91.308 1.00 69.32 C +ATOM 929 CG LYS A 122 35.265 24.775 91.324 1.00 71.67 C +ATOM 930 CD LYS A 122 36.783 24.613 91.337 1.00 73.94 C +ATOM 931 CE LYS A 122 37.509 25.950 91.241 1.00 74.64 C +ATOM 932 NZ LYS A 122 37.320 26.614 89.922 1.00 75.91 N +ATOM 933 N ALA A 123 32.740 24.118 88.834 1.00 62.40 N +ATOM 934 CA ALA A 123 32.420 25.032 87.741 1.00 60.32 C +ATOM 935 C ALA A 123 30.932 25.398 87.741 1.00 58.82 C +ATOM 936 O ALA A 123 30.567 26.534 87.446 1.00 56.75 O +ATOM 937 CB ALA A 123 32.817 24.418 86.404 1.00 60.12 C +ATOM 938 N ILE A 124 30.078 24.437 88.073 1.00 56.55 N +ATOM 939 CA ILE A 124 28.658 24.716 88.111 1.00 56.31 C +ATOM 940 C ILE A 124 28.376 25.678 89.275 1.00 56.23 C +ATOM 941 O ILE A 124 27.678 26.684 89.114 1.00 53.60 O +ATOM 942 CB ILE A 124 27.853 23.424 88.275 1.00 56.12 C +ATOM 943 CG1 ILE A 124 27.911 22.632 86.974 1.00 56.14 C +ATOM 944 CG2 ILE A 124 26.395 23.737 88.635 1.00 56.07 C +ATOM 945 CD1 ILE A 124 27.099 21.374 87.026 1.00 57.61 C +ATOM 946 N GLN A 125 28.962 25.377 90.431 1.00 55.15 N +ATOM 947 CA GLN A 125 28.772 26.191 91.611 1.00 54.69 C +ATOM 948 C GLN A 125 29.297 27.622 91.425 1.00 52.28 C +ATOM 949 O GLN A 125 28.638 28.572 91.867 1.00 51.83 O +ATOM 950 CB GLN A 125 29.407 25.507 92.832 1.00 57.25 C +ATOM 951 CG GLN A 125 29.287 26.338 94.088 1.00 63.95 C +ATOM 952 CD GLN A 125 29.345 25.520 95.362 1.00 67.86 C +ATOM 953 OE1 GLN A 125 30.294 24.755 95.581 1.00 71.08 O +ATOM 954 NE2 GLN A 125 28.333 25.683 96.220 1.00 68.02 N +ATOM 955 N ASP A 126 30.460 27.788 90.780 1.00 49.37 N +ATOM 956 CA ASP A 126 30.997 29.125 90.529 1.00 48.33 C +ATOM 957 C ASP A 126 30.014 29.914 89.643 1.00 46.85 C +ATOM 958 O ASP A 126 29.848 31.123 89.828 1.00 44.07 O +ATOM 959 CB ASP A 126 32.359 29.113 89.787 1.00 49.73 C +ATOM 960 CG ASP A 126 33.489 28.473 90.583 1.00 52.30 C +ATOM 961 OD1 ASP A 126 33.505 28.548 91.824 1.00 52.54 O +ATOM 962 OD2 ASP A 126 34.398 27.894 89.938 1.00 56.74 O +ATOM 963 N GLU A 127 29.400 29.233 88.672 1.00 46.16 N +ATOM 964 CA GLU A 127 28.437 29.883 87.765 1.00 46.46 C +ATOM 965 C GLU A 127 27.170 30.316 88.517 1.00 44.78 C +ATOM 966 O GLU A 127 26.690 31.446 88.353 1.00 43.45 O +ATOM 967 CB GLU A 127 28.038 28.949 86.617 1.00 48.63 C +ATOM 968 CG GLU A 127 29.105 28.773 85.495 1.00 51.34 C +ATOM 969 CD GLU A 127 28.604 27.884 84.352 1.00 53.84 C +ATOM 970 OE1 GLU A 127 29.446 27.368 83.583 1.00 55.49 O +ATOM 971 OE2 GLU A 127 27.367 27.704 84.213 1.00 54.47 O +ATOM 972 N ILE A 128 26.647 29.419 89.350 1.00 42.66 N +ATOM 973 CA ILE A 128 25.450 29.717 90.119 1.00 42.78 C +ATOM 974 C ILE A 128 25.759 30.872 91.083 1.00 42.66 C +ATOM 975 O ILE A 128 24.995 31.836 91.168 1.00 41.46 O +ATOM 976 CB ILE A 128 24.965 28.456 90.875 1.00 43.99 C +ATOM 977 CG1 ILE A 128 24.407 27.451 89.861 1.00 42.58 C +ATOM 978 CG2 ILE A 128 23.902 28.825 91.910 1.00 44.92 C +ATOM 979 CD1 ILE A 128 24.066 26.129 90.466 1.00 44.05 C +ATOM 980 N ARG A 129 26.904 30.803 91.760 1.00 41.81 N +ATOM 981 CA ARG A 129 27.291 31.854 92.683 1.00 40.41 C +ATOM 982 C ARG A 129 27.363 33.205 91.978 1.00 39.62 C +ATOM 983 O ARG A 129 26.999 34.230 92.561 1.00 37.45 O +ATOM 984 CB ARG A 129 28.654 31.552 93.321 1.00 44.74 C +ATOM 985 CG ARG A 129 29.141 32.651 94.263 1.00 47.21 C +ATOM 986 CD ARG A 129 30.410 32.228 95.043 1.00 53.03 C +ATOM 987 NE ARG A 129 31.442 31.799 94.115 1.00 57.81 N +ATOM 988 CZ ARG A 129 31.866 30.547 93.953 1.00 57.25 C +ATOM 989 NH1 ARG A 129 31.367 29.535 94.667 1.00 57.99 N +ATOM 990 NH2 ARG A 129 32.793 30.313 93.049 1.00 55.67 N +ATOM 991 N SER A 130 27.830 33.201 90.730 1.00 37.80 N +ATOM 992 CA SER A 130 27.965 34.424 89.956 1.00 38.77 C +ATOM 993 C SER A 130 26.608 35.090 89.636 1.00 38.97 C +ATOM 994 O SER A 130 26.510 36.318 89.564 1.00 40.32 O +ATOM 995 CB SER A 130 28.734 34.136 88.654 1.00 40.28 C +ATOM 996 OG SER A 130 30.092 33.839 88.950 1.00 44.68 O +ATOM 997 N VAL A 131 25.579 34.274 89.437 1.00 37.43 N +ATOM 998 CA VAL A 131 24.243 34.782 89.144 1.00 36.01 C +ATOM 999 C VAL A 131 23.604 35.277 90.447 1.00 37.97 C +ATOM 1000 O VAL A 131 23.055 36.388 90.487 1.00 38.10 O +ATOM 1001 CB VAL A 131 23.349 33.694 88.509 1.00 36.10 C +ATOM 1002 CG1 VAL A 131 21.931 34.269 88.235 1.00 35.91 C +ATOM 1003 CG2 VAL A 131 23.979 33.199 87.186 1.00 38.64 C +ATOM 1004 N ILE A 132 23.665 34.460 91.506 1.00 37.66 N +ATOM 1005 CA ILE A 132 23.115 34.876 92.799 1.00 37.20 C +ATOM 1006 C ILE A 132 23.810 36.182 93.182 1.00 37.36 C +ATOM 1007 O ILE A 132 23.166 37.114 93.690 1.00 38.66 O +ATOM 1008 CB ILE A 132 23.382 33.866 93.915 1.00 37.58 C +ATOM 1009 CG1 ILE A 132 22.620 32.568 93.659 1.00 38.56 C +ATOM 1010 CG2 ILE A 132 23.013 34.472 95.248 1.00 37.28 C +ATOM 1011 CD1 ILE A 132 21.101 32.675 93.781 1.00 41.80 C +ATOM 1012 N ALA A 133 25.122 36.265 92.954 1.00 35.44 N +ATOM 1013 CA ALA A 133 25.828 37.496 93.286 1.00 35.19 C +ATOM 1014 C ALA A 133 25.185 38.703 92.573 1.00 35.75 C +ATOM 1015 O ALA A 133 25.029 39.788 93.158 1.00 35.11 O +ATOM 1016 CB ALA A 133 27.313 37.413 92.909 1.00 34.49 C +ATOM 1017 N GLN A 134 24.838 38.523 91.305 1.00 34.44 N +ATOM 1018 CA GLN A 134 24.210 39.618 90.547 1.00 35.53 C +ATOM 1019 C GLN A 134 22.814 39.950 91.094 1.00 33.70 C +ATOM 1020 O GLN A 134 22.416 41.106 91.145 1.00 35.91 O +ATOM 1021 CB GLN A 134 24.110 39.249 89.067 1.00 35.00 C +ATOM 1022 CG GLN A 134 25.448 39.200 88.375 1.00 38.68 C +ATOM 1023 CD GLN A 134 25.282 38.939 86.901 1.00 40.82 C +ATOM 1024 OE1 GLN A 134 24.489 38.072 86.509 1.00 40.22 O +ATOM 1025 NE2 GLN A 134 26.025 39.678 86.072 1.00 39.86 N +ATOM 1026 N ILE A 135 22.068 38.930 91.488 1.00 33.67 N +ATOM 1027 CA ILE A 135 20.765 39.179 92.057 1.00 33.16 C +ATOM 1028 C ILE A 135 20.930 40.069 93.301 1.00 36.37 C +ATOM 1029 O ILE A 135 20.237 41.088 93.443 1.00 37.12 O +ATOM 1030 CB ILE A 135 20.065 37.850 92.402 1.00 34.40 C +ATOM 1031 CG1 ILE A 135 19.666 37.128 91.104 1.00 33.12 C +ATOM 1032 CG2 ILE A 135 18.766 38.103 93.223 1.00 35.72 C +ATOM 1033 CD1 ILE A 135 19.058 35.756 91.345 1.00 31.81 C +ATOM 1034 N THR A 136 21.859 39.722 94.195 1.00 35.08 N +ATOM 1035 CA THR A 136 22.038 40.522 95.400 1.00 34.95 C +ATOM 1036 C THR A 136 22.492 41.942 95.100 1.00 34.32 C +ATOM 1037 O THR A 136 22.160 42.848 95.850 1.00 37.63 O +ATOM 1038 CB THR A 136 23.068 39.907 96.404 1.00 35.29 C +ATOM 1039 OG1 THR A 136 24.403 40.111 95.907 1.00 33.58 O +ATOM 1040 CG2 THR A 136 22.761 38.425 96.647 1.00 31.93 C +ATOM 1041 N ALA A 137 23.234 42.140 94.013 1.00 33.78 N +ATOM 1042 CA ALA A 137 23.722 43.465 93.646 1.00 36.01 C +ATOM 1043 C ALA A 137 22.650 44.427 93.085 1.00 36.92 C +ATOM 1044 O ALA A 137 22.888 45.637 93.014 1.00 36.35 O +ATOM 1045 CB ALA A 137 24.870 43.329 92.598 1.00 36.62 C +ATOM 1046 N THR A 138 21.500 43.901 92.665 1.00 36.86 N +ATOM 1047 CA THR A 138 20.453 44.777 92.111 1.00 37.31 C +ATOM 1048 C THR A 138 19.920 45.814 93.120 1.00 38.76 C +ATOM 1049 O THR A 138 19.227 46.759 92.733 1.00 37.25 O +ATOM 1050 CB THR A 138 19.250 43.960 91.507 1.00 35.89 C +ATOM 1051 OG1 THR A 138 18.583 43.208 92.529 1.00 36.61 O +ATOM 1052 CG2 THR A 138 19.768 42.983 90.443 1.00 33.77 C +ATOM 1053 N VAL A 139 20.266 45.659 94.401 1.00 37.35 N +ATOM 1054 CA VAL A 139 19.832 46.627 95.412 1.00 36.47 C +ATOM 1055 C VAL A 139 20.418 47.999 95.080 1.00 36.71 C +ATOM 1056 O VAL A 139 19.937 49.008 95.566 1.00 38.34 O +ATOM 1057 CB VAL A 139 20.334 46.261 96.851 1.00 36.82 C +ATOM 1058 CG1 VAL A 139 19.725 44.952 97.305 1.00 36.33 C +ATOM 1059 CG2 VAL A 139 21.868 46.184 96.863 1.00 33.43 C +ATOM 1060 N THR A 140 21.446 48.041 94.248 1.00 38.06 N +ATOM 1061 CA THR A 140 22.066 49.324 93.900 1.00 40.34 C +ATOM 1062 C THR A 140 21.288 50.120 92.833 1.00 42.31 C +ATOM 1063 O THR A 140 21.626 51.257 92.571 1.00 42.19 O +ATOM 1064 CB THR A 140 23.517 49.136 93.358 1.00 42.36 C +ATOM 1065 OG1 THR A 140 23.467 48.387 92.132 1.00 43.79 O +ATOM 1066 CG2 THR A 140 24.417 48.386 94.394 1.00 40.67 C +ATOM 1067 N PHE A 141 20.280 49.531 92.191 1.00 42.96 N +ATOM 1068 CA PHE A 141 19.547 50.317 91.183 1.00 43.80 C +ATOM 1069 C PHE A 141 18.017 50.106 91.138 1.00 43.25 C +ATOM 1070 O PHE A 141 17.311 50.979 90.640 1.00 43.41 O +ATOM 1071 CB PHE A 141 20.168 50.123 89.777 1.00 43.05 C +ATOM 1072 CG PHE A 141 19.945 48.758 89.189 1.00 45.17 C +ATOM 1073 CD1 PHE A 141 18.713 48.417 88.629 1.00 46.64 C +ATOM 1074 CD2 PHE A 141 20.965 47.802 89.198 1.00 46.58 C +ATOM 1075 CE1 PHE A 141 18.493 47.144 88.088 1.00 46.25 C +ATOM 1076 CE2 PHE A 141 20.761 46.523 88.665 1.00 45.95 C +ATOM 1077 CZ PHE A 141 19.520 46.194 88.107 1.00 47.27 C +ATOM 1078 N LEU A 142 17.501 48.991 91.665 1.00 40.55 N +ATOM 1079 CA LEU A 142 16.062 48.780 91.657 1.00 41.14 C +ATOM 1080 C LEU A 142 15.378 49.773 92.609 1.00 44.65 C +ATOM 1081 O LEU A 142 15.808 49.976 93.747 1.00 44.46 O +ATOM 1082 CB LEU A 142 15.698 47.353 92.036 1.00 38.49 C +ATOM 1083 CG LEU A 142 16.018 46.306 90.971 1.00 38.20 C +ATOM 1084 CD1 LEU A 142 15.662 44.922 91.522 1.00 33.65 C +ATOM 1085 CD2 LEU A 142 15.213 46.613 89.663 1.00 38.43 C +ATOM 1086 N PRO A 143 14.279 50.379 92.146 1.00 45.66 N +ATOM 1087 CA PRO A 143 13.478 51.368 92.861 1.00 44.43 C +ATOM 1088 C PRO A 143 12.759 50.870 94.086 1.00 42.61 C +ATOM 1089 O PRO A 143 12.355 49.704 94.170 1.00 40.72 O +ATOM 1090 CB PRO A 143 12.470 51.857 91.801 1.00 46.51 C +ATOM 1091 CG PRO A 143 12.794 51.080 90.543 1.00 50.51 C +ATOM 1092 CD PRO A 143 13.534 49.863 90.984 1.00 48.43 C +ATOM 1093 N LEU A 144 12.570 51.776 95.031 1.00 41.16 N +ATOM 1094 CA LEU A 144 11.822 51.437 96.231 1.00 44.02 C +ATOM 1095 C LEU A 144 10.378 51.237 95.777 1.00 45.49 C +ATOM 1096 O LEU A 144 9.842 52.067 95.052 1.00 45.38 O +ATOM 1097 CB LEU A 144 11.884 52.587 97.257 1.00 45.72 C +ATOM 1098 CG LEU A 144 10.871 52.538 98.420 1.00 47.12 C +ATOM 1099 CD1 LEU A 144 11.069 51.272 99.236 1.00 48.47 C +ATOM 1100 CD2 LEU A 144 10.999 53.780 99.318 1.00 46.93 C +ATOM 1101 N LEU A 145 9.752 50.135 96.167 1.00 45.96 N +ATOM 1102 CA LEU A 145 8.367 49.924 95.798 1.00 48.84 C +ATOM 1103 C LEU A 145 7.580 50.719 96.834 1.00 52.11 C +ATOM 1104 O LEU A 145 7.745 50.496 98.034 1.00 51.91 O +ATOM 1105 CB LEU A 145 8.009 48.445 95.885 1.00 46.07 C +ATOM 1106 CG LEU A 145 8.751 47.601 94.837 1.00 47.66 C +ATOM 1107 CD1 LEU A 145 8.356 46.144 95.000 1.00 46.11 C +ATOM 1108 CD2 LEU A 145 8.421 48.099 93.430 1.00 45.44 C +ATOM 1109 N GLU A 146 6.721 51.628 96.382 1.00 55.06 N +ATOM 1110 CA GLU A 146 5.960 52.443 97.327 1.00 58.44 C +ATOM 1111 C GLU A 146 4.491 52.082 97.521 1.00 58.25 C +ATOM 1112 O GLU A 146 3.675 52.946 97.864 1.00 59.72 O +ATOM 1113 CB GLU A 146 6.083 53.919 96.954 1.00 61.06 C +ATOM 1114 CG GLU A 146 7.445 54.527 97.268 1.00 65.18 C +ATOM 1115 CD GLU A 146 7.512 55.983 96.854 1.00 68.39 C +ATOM 1116 OE1 GLU A 146 6.766 56.803 97.443 1.00 69.99 O +ATOM 1117 OE2 GLU A 146 8.299 56.303 95.930 1.00 70.54 O +ATOM 1118 N VAL A 147 4.150 50.818 97.307 1.00 56.36 N +ATOM 1119 CA VAL A 147 2.777 50.357 97.497 1.00 55.63 C +ATOM 1120 C VAL A 147 2.833 48.936 98.028 1.00 54.16 C +ATOM 1121 O VAL A 147 3.827 48.229 97.825 1.00 54.73 O +ATOM 1122 CB VAL A 147 1.953 50.396 96.176 1.00 56.60 C +ATOM 1123 CG1 VAL A 147 1.819 51.834 95.676 1.00 55.67 C +ATOM 1124 CG2 VAL A 147 2.614 49.518 95.111 1.00 56.34 C +ATOM 1125 N SER A 148 1.788 48.511 98.722 1.00 52.66 N +ATOM 1126 CA SER A 148 1.773 47.171 99.281 1.00 52.70 C +ATOM 1127 C SER A 148 1.639 46.144 98.158 1.00 51.97 C +ATOM 1128 O SER A 148 0.605 46.058 97.496 1.00 49.30 O +ATOM 1129 CB SER A 148 0.626 47.018 100.280 1.00 54.52 C +ATOM 1130 OG SER A 148 0.804 47.910 101.379 1.00 59.95 O +ATOM 1131 N CYS A 149 2.693 45.360 97.969 1.00 50.33 N +ATOM 1132 CA CYS A 149 2.716 44.360 96.919 1.00 49.52 C +ATOM 1133 C CYS A 149 2.705 42.948 97.400 1.00 47.98 C +ATOM 1134 O CYS A 149 2.921 42.661 98.565 1.00 49.75 O +ATOM 1135 CB CYS A 149 3.971 44.510 96.068 1.00 48.44 C +ATOM 1136 SG CYS A 149 4.149 46.026 95.239 1.00 52.35 S +ATOM 1137 N SER A 150 2.451 42.052 96.462 1.00 46.67 N +ATOM 1138 CA SER A 150 2.502 40.630 96.742 1.00 44.66 C +ATOM 1139 C SER A 150 3.226 40.016 95.540 1.00 41.95 C +ATOM 1140 O SER A 150 3.632 40.729 94.625 1.00 41.04 O +ATOM 1141 CB SER A 150 1.117 40.022 96.844 1.00 46.58 C +ATOM 1142 OG SER A 150 1.239 38.744 97.450 1.00 49.78 O +ATOM 1143 N PHE A 151 3.381 38.704 95.537 1.00 40.86 N +ATOM 1144 CA PHE A 151 4.053 38.087 94.410 1.00 42.36 C +ATOM 1145 C PHE A 151 3.391 36.773 94.081 1.00 41.64 C +ATOM 1146 O PHE A 151 2.643 36.251 94.881 1.00 41.50 O +ATOM 1147 CB PHE A 151 5.556 37.880 94.726 1.00 40.52 C +ATOM 1148 CG PHE A 151 5.848 36.634 95.522 1.00 40.71 C +ATOM 1149 CD1 PHE A 151 6.437 35.516 94.901 1.00 39.62 C +ATOM 1150 CD2 PHE A 151 5.523 36.558 96.884 1.00 38.59 C +ATOM 1151 CE1 PHE A 151 6.700 34.340 95.626 1.00 38.97 C +ATOM 1152 CE2 PHE A 151 5.775 35.406 97.613 1.00 36.73 C +ATOM 1153 CZ PHE A 151 6.370 34.288 96.984 1.00 39.71 C +ATOM 1154 N ASP A 152 3.659 36.257 92.889 1.00 42.15 N +ATOM 1155 CA ASP A 152 3.117 34.970 92.485 1.00 42.99 C +ATOM 1156 C ASP A 152 4.188 34.335 91.584 1.00 42.08 C +ATOM 1157 O ASP A 152 4.923 35.040 90.899 1.00 41.95 O +ATOM 1158 CB ASP A 152 1.781 35.160 91.738 1.00 43.41 C +ATOM 1159 CG ASP A 152 1.105 33.832 91.362 1.00 46.90 C +ATOM 1160 OD1 ASP A 152 1.285 32.822 92.084 1.00 46.71 O +ATOM 1161 OD2 ASP A 152 0.373 33.803 90.340 1.00 48.31 O +ATOM 1162 N LEU A 153 4.297 33.011 91.635 1.00 42.36 N +ATOM 1163 CA LEU A 153 5.270 32.284 90.825 1.00 43.38 C +ATOM 1164 C LEU A 153 4.592 31.567 89.623 1.00 44.43 C +ATOM 1165 O LEU A 153 3.837 30.618 89.803 1.00 45.68 O +ATOM 1166 CB LEU A 153 6.008 31.263 91.712 1.00 41.00 C +ATOM 1167 CG LEU A 153 6.806 31.858 92.893 1.00 38.81 C +ATOM 1168 CD1 LEU A 153 7.434 30.726 93.706 1.00 38.75 C +ATOM 1169 CD2 LEU A 153 7.883 32.820 92.372 1.00 36.09 C +ATOM 1170 N LEU A 154 4.853 32.058 88.417 1.00 45.61 N +ATOM 1171 CA LEU A 154 4.311 31.467 87.205 1.00 48.49 C +ATOM 1172 C LEU A 154 5.378 30.499 86.648 1.00 49.60 C +ATOM 1173 O LEU A 154 6.586 30.792 86.694 1.00 48.83 O +ATOM 1174 CB LEU A 154 4.012 32.551 86.161 1.00 48.20 C +ATOM 1175 CG LEU A 154 3.137 33.742 86.589 1.00 48.85 C +ATOM 1176 CD1 LEU A 154 2.767 34.573 85.381 1.00 44.81 C +ATOM 1177 CD2 LEU A 154 1.890 33.251 87.301 1.00 48.85 C +ATOM 1178 N ILE A 155 4.939 29.339 86.168 1.00 49.63 N +ATOM 1179 CA ILE A 155 5.859 28.355 85.591 1.00 49.80 C +ATOM 1180 C ILE A 155 5.383 27.970 84.199 1.00 51.21 C +ATOM 1181 O ILE A 155 4.333 27.338 84.053 1.00 50.10 O +ATOM 1182 CB ILE A 155 5.941 27.076 86.451 1.00 49.38 C +ATOM 1183 CG1 ILE A 155 6.658 27.377 87.774 1.00 50.52 C +ATOM 1184 CG2 ILE A 155 6.693 25.995 85.708 1.00 46.60 C +ATOM 1185 CD1 ILE A 155 6.708 26.192 88.706 1.00 53.10 C +ATOM 1186 N TYR A 156 6.138 28.386 83.189 1.00 52.09 N +ATOM 1187 CA TYR A 156 5.836 28.066 81.796 1.00 54.66 C +ATOM 1188 C TYR A 156 6.267 26.616 81.596 1.00 57.01 C +ATOM 1189 O TYR A 156 7.369 26.229 82.013 1.00 57.25 O +ATOM 1190 CB TYR A 156 6.662 28.927 80.858 1.00 53.07 C +ATOM 1191 CG TYR A 156 6.243 30.369 80.747 1.00 53.97 C +ATOM 1192 CD1 TYR A 156 5.727 31.067 81.844 1.00 52.43 C +ATOM 1193 CD2 TYR A 156 6.409 31.058 79.542 1.00 53.27 C +ATOM 1194 CE1 TYR A 156 5.387 32.411 81.740 1.00 52.55 C +ATOM 1195 CE2 TYR A 156 6.076 32.397 79.429 1.00 54.28 C +ATOM 1196 CZ TYR A 156 5.564 33.067 80.539 1.00 53.63 C +ATOM 1197 OH TYR A 156 5.240 34.392 80.417 1.00 55.36 O +ATOM 1198 N THR A 157 5.417 25.816 80.960 1.00 57.94 N +ATOM 1199 CA THR A 157 5.744 24.408 80.733 1.00 59.47 C +ATOM 1200 C THR A 157 5.343 24.019 79.325 1.00 61.38 C +ATOM 1201 O THR A 157 4.822 24.846 78.579 1.00 60.71 O +ATOM 1202 CB THR A 157 4.991 23.471 81.716 1.00 58.75 C +ATOM 1203 OG1 THR A 157 3.587 23.475 81.417 1.00 58.15 O +ATOM 1204 CG2 THR A 157 5.195 23.927 83.152 1.00 58.90 C +ATOM 1205 N ASP A 158 5.607 22.765 78.961 1.00 64.14 N +ATOM 1206 CA ASP A 158 5.230 22.268 77.643 1.00 67.51 C +ATOM 1207 C ASP A 158 3.710 22.057 77.660 1.00 69.29 C +ATOM 1208 O ASP A 158 3.141 21.650 78.677 1.00 68.66 O +ATOM 1209 CB ASP A 158 5.949 20.948 77.330 1.00 66.86 C +ATOM 1210 CG ASP A 158 7.461 21.119 77.193 1.00 66.74 C +ATOM 1211 OD1 ASP A 158 7.910 22.184 76.715 1.00 67.27 O +ATOM 1212 OD2 ASP A 158 8.201 20.178 77.544 1.00 65.72 O +ATOM 1213 N LYS A 159 3.061 22.340 76.536 1.00 72.36 N +ATOM 1214 CA LYS A 159 1.607 22.218 76.426 1.00 75.44 C +ATOM 1215 C LYS A 159 1.078 20.834 76.787 1.00 76.74 C +ATOM 1216 O LYS A 159 0.046 20.701 77.443 1.00 76.46 O +ATOM 1217 CB LYS A 159 1.170 22.592 75.011 1.00 76.56 C +ATOM 1218 CG LYS A 159 -0.303 22.916 74.879 1.00 79.90 C +ATOM 1219 CD LYS A 159 -0.659 23.195 73.425 1.00 82.25 C +ATOM 1220 CE LYS A 159 -2.174 23.103 73.189 1.00 84.47 C +ATOM 1221 NZ LYS A 159 -2.723 21.751 73.546 1.00 84.32 N +ATOM 1222 N ASP A 160 1.795 19.804 76.365 1.00 79.13 N +ATOM 1223 CA ASP A 160 1.384 18.438 76.642 1.00 81.10 C +ATOM 1224 C ASP A 160 1.862 18.032 78.028 1.00 81.39 C +ATOM 1225 O ASP A 160 2.764 17.201 78.158 1.00 82.58 O +ATOM 1226 CB ASP A 160 1.975 17.486 75.596 1.00 83.39 C +ATOM 1227 CG ASP A 160 1.722 17.950 74.167 1.00 85.53 C +ATOM 1228 OD1 ASP A 160 0.535 18.107 73.788 1.00 86.54 O +ATOM 1229 OD2 ASP A 160 2.714 18.156 73.425 1.00 86.60 O +ATOM 1230 N LEU A 161 1.263 18.614 79.062 1.00 80.73 N +ATOM 1231 CA LEU A 161 1.654 18.302 80.433 1.00 79.39 C +ATOM 1232 C LEU A 161 0.438 18.270 81.352 1.00 78.77 C +ATOM 1233 O LEU A 161 -0.353 19.209 81.396 1.00 77.70 O +ATOM 1234 CB LEU A 161 2.678 19.336 80.927 1.00 79.94 C +ATOM 1235 CG LEU A 161 3.328 19.168 82.306 1.00 80.12 C +ATOM 1236 CD1 LEU A 161 4.548 20.057 82.413 1.00 80.08 C +ATOM 1237 CD2 LEU A 161 2.342 19.525 83.394 1.00 80.29 C +ATOM 1238 N VAL A 162 0.286 17.170 82.078 1.00 78.44 N +ATOM 1239 CA VAL A 162 -0.831 17.023 82.996 1.00 78.12 C +ATOM 1240 C VAL A 162 -0.732 18.092 84.078 1.00 77.80 C +ATOM 1241 O VAL A 162 0.241 18.126 84.826 1.00 77.10 O +ATOM 1242 CB VAL A 162 -0.809 15.635 83.667 1.00 78.62 C +ATOM 1243 CG1 VAL A 162 -1.877 15.557 84.741 1.00 78.34 C +ATOM 1244 CG2 VAL A 162 -1.027 14.551 82.624 1.00 79.24 C +ATOM 1245 N VAL A 163 -1.733 18.965 84.158 1.00 77.42 N +ATOM 1246 CA VAL A 163 -1.736 20.018 85.166 1.00 76.66 C +ATOM 1247 C VAL A 163 -2.127 19.455 86.525 1.00 77.34 C +ATOM 1248 O VAL A 163 -3.283 19.114 86.756 1.00 76.70 O +ATOM 1249 CB VAL A 163 -2.706 21.148 84.799 1.00 75.87 C +ATOM 1250 CG1 VAL A 163 -2.752 22.190 85.906 1.00 75.40 C +ATOM 1251 CG2 VAL A 163 -2.318 21.784 83.478 1.00 75.59 C +ATOM 1252 N PRO A 164 -1.154 19.367 87.443 1.00 78.08 N +ATOM 1253 CA PRO A 164 -1.384 18.868 88.814 1.00 78.33 C +ATOM 1254 C PRO A 164 -2.524 19.533 89.535 1.00 78.68 C +ATOM 1255 O PRO A 164 -2.844 20.704 89.266 1.00 78.07 O +ATOM 1256 CB PRO A 164 0.026 18.965 89.413 1.00 78.70 C +ATOM 1257 CG PRO A 164 0.884 18.535 88.243 1.00 79.20 C +ATOM 1258 CD PRO A 164 0.139 18.870 86.990 1.00 78.26 C +ATOM 1259 N GLU A 165 -3.126 18.797 90.438 1.00 78.63 N +ATOM 1260 CA GLU A 165 -4.162 19.392 91.234 1.00 79.06 C +ATOM 1261 C GLU A 165 -3.492 20.467 92.045 1.00 78.04 C +ATOM 1262 O GLU A 165 -2.291 20.454 92.295 1.00 77.75 O +ATOM 1263 CB GLU A 165 -4.863 18.393 92.131 1.00 81.19 C +ATOM 1264 CG GLU A 165 -3.973 17.229 92.547 1.00 84.10 C +ATOM 1265 CD GLU A 165 -4.195 16.763 93.963 1.00 85.68 C +ATOM 1266 OE1 GLU A 165 -3.391 17.128 94.854 1.00 87.46 O +ATOM 1267 OE2 GLU A 165 -5.179 16.021 94.190 1.00 86.15 O +ATOM 1268 N LYS A 166 -4.309 21.386 92.452 1.00 76.09 N +ATOM 1269 CA LYS A 166 -3.714 22.477 93.157 1.00 73.87 C +ATOM 1270 C LYS A 166 -3.055 23.404 92.199 1.00 71.89 C +ATOM 1271 O LYS A 166 -2.628 24.491 92.590 1.00 72.34 O +ATOM 1272 CB LYS A 166 -2.573 22.015 94.095 1.00 75.03 C +ATOM 1273 CG LYS A 166 -2.942 21.121 95.248 1.00 76.21 C +ATOM 1274 CD LYS A 166 -1.772 20.973 96.217 1.00 78.30 C +ATOM 1275 CE LYS A 166 -2.250 20.511 97.578 1.00 79.27 C +ATOM 1276 NZ LYS A 166 -1.157 20.563 98.598 1.00 79.65 N +ATOM 1277 N TRP A 167 -2.937 23.048 90.946 1.00 69.06 N +ATOM 1278 CA TRP A 167 -2.373 24.024 90.042 1.00 66.64 C +ATOM 1279 C TRP A 167 -3.447 24.341 89.011 1.00 66.34 C +ATOM 1280 O TRP A 167 -4.411 23.589 88.889 1.00 65.87 O +ATOM 1281 CB TRP A 167 -1.130 23.517 89.374 1.00 63.58 C +ATOM 1282 CG TRP A 167 0.107 23.463 90.226 1.00 61.45 C +ATOM 1283 CD1 TRP A 167 0.354 22.619 91.264 1.00 60.36 C +ATOM 1284 CD2 TRP A 167 1.284 24.279 90.084 1.00 59.21 C +ATOM 1285 NE1 TRP A 167 1.602 22.851 91.780 1.00 59.87 N +ATOM 1286 CE2 TRP A 167 2.196 23.867 91.081 1.00 60.14 C +ATOM 1287 CE3 TRP A 167 1.648 25.323 89.219 1.00 58.05 C +ATOM 1288 CZ2 TRP A 167 3.463 24.452 91.231 1.00 58.29 C +ATOM 1289 CZ3 TRP A 167 2.904 25.907 89.370 1.00 58.23 C +ATOM 1290 CH2 TRP A 167 3.791 25.473 90.371 1.00 58.26 C +ATOM 1291 N GLU A 168 -3.290 25.426 88.269 1.00 65.86 N +ATOM 1292 CA GLU A 168 -4.229 25.821 87.215 1.00 66.43 C +ATOM 1293 C GLU A 168 -3.488 26.727 86.245 1.00 66.00 C +ATOM 1294 O GLU A 168 -2.413 27.243 86.564 1.00 66.63 O +ATOM 1295 CB GLU A 168 -5.425 26.548 87.800 1.00 66.69 C +ATOM 1296 CG GLU A 168 -5.126 28.006 88.145 1.00 68.48 C +ATOM 1297 CD GLU A 168 -6.292 28.711 88.837 1.00 69.60 C +ATOM 1298 OE1 GLU A 168 -6.195 29.943 89.054 1.00 69.18 O +ATOM 1299 OE2 GLU A 168 -7.296 28.034 89.167 1.00 68.67 O +ATOM 1300 N GLU A 169 -4.062 26.905 85.070 1.00 65.55 N +ATOM 1301 CA GLU A 169 -3.446 27.764 84.062 1.00 66.16 C +ATOM 1302 C GLU A 169 -3.732 29.220 84.431 1.00 65.56 C +ATOM 1303 O GLU A 169 -4.696 29.492 85.138 1.00 66.37 O +ATOM 1304 CB GLU A 169 -4.032 27.436 82.684 1.00 67.38 C +ATOM 1305 CG GLU A 169 -3.238 27.961 81.492 1.00 70.47 C +ATOM 1306 CD GLU A 169 -3.809 27.487 80.156 1.00 72.13 C +ATOM 1307 OE1 GLU A 169 -4.845 28.034 79.715 1.00 73.18 O +ATOM 1308 OE2 GLU A 169 -3.226 26.559 79.554 1.00 72.27 O +ATOM 1309 N SER A 170 -2.894 30.152 83.986 1.00 65.08 N +ATOM 1310 CA SER A 170 -3.126 31.571 84.278 1.00 65.26 C +ATOM 1311 C SER A 170 -2.502 32.460 83.214 1.00 64.05 C +ATOM 1312 O SER A 170 -1.824 31.977 82.315 1.00 64.62 O +ATOM 1313 CB SER A 170 -2.546 31.961 85.642 1.00 66.48 C +ATOM 1314 OG SER A 170 -1.151 32.192 85.542 1.00 67.38 O +ATOM 1315 N GLY A 171 -2.739 33.763 83.322 1.00 62.83 N +ATOM 1316 CA GLY A 171 -2.177 34.705 82.371 1.00 62.31 C +ATOM 1317 C GLY A 171 -0.674 34.889 82.545 1.00 62.28 C +ATOM 1318 O GLY A 171 -0.097 34.425 83.530 1.00 61.08 O +ATOM 1319 N PRO A 172 -0.014 35.572 81.605 1.00 62.40 N +ATOM 1320 CA PRO A 172 1.435 35.819 81.647 1.00 63.35 C +ATOM 1321 C PRO A 172 1.830 36.980 82.562 1.00 62.67 C +ATOM 1322 O PRO A 172 2.999 37.109 82.922 1.00 62.93 O +ATOM 1323 CB PRO A 172 1.791 36.149 80.194 1.00 63.13 C +ATOM 1324 CG PRO A 172 0.566 35.751 79.388 1.00 64.08 C +ATOM 1325 CD PRO A 172 -0.574 36.030 80.327 1.00 63.29 C +ATOM 1326 N GLN A 173 0.861 37.824 82.913 1.00 61.38 N +ATOM 1327 CA GLN A 173 1.117 38.987 83.760 1.00 59.86 C +ATOM 1328 C GLN A 173 2.252 39.804 83.170 1.00 59.32 C +ATOM 1329 O GLN A 173 3.252 40.053 83.836 1.00 59.48 O +ATOM 1330 CB GLN A 173 1.484 38.554 85.181 1.00 59.87 C +ATOM 1331 CG GLN A 173 0.366 37.823 85.911 1.00 61.29 C +ATOM 1332 CD GLN A 173 -0.777 38.759 86.331 1.00 64.09 C +ATOM 1333 OE1 GLN A 173 -1.267 39.574 85.543 1.00 62.85 O +ATOM 1334 NE2 GLN A 173 -1.203 38.634 87.581 1.00 64.75 N +ATOM 1335 N PHE A 174 2.111 40.228 81.920 1.00 57.62 N +ATOM 1336 CA PHE A 174 3.162 41.017 81.309 1.00 56.28 C +ATOM 1337 C PHE A 174 3.271 42.392 81.961 1.00 55.19 C +ATOM 1338 O PHE A 174 2.317 42.889 82.556 1.00 54.44 O +ATOM 1339 CB PHE A 174 2.919 41.162 79.805 1.00 59.51 C +ATOM 1340 CG PHE A 174 2.955 39.850 79.048 1.00 62.69 C +ATOM 1341 CD1 PHE A 174 4.024 38.964 79.203 1.00 63.56 C +ATOM 1342 CD2 PHE A 174 1.929 39.515 78.157 1.00 64.30 C +ATOM 1343 CE1 PHE A 174 4.080 37.758 78.479 1.00 65.13 C +ATOM 1344 CE2 PHE A 174 1.971 38.314 77.426 1.00 65.51 C +ATOM 1345 CZ PHE A 174 3.051 37.434 77.588 1.00 65.23 C +ATOM 1346 N ILE A 175 4.435 43.016 81.819 1.00 51.97 N +ATOM 1347 CA ILE A 175 4.681 44.320 82.411 1.00 50.48 C +ATOM 1348 C ILE A 175 4.694 45.397 81.347 1.00 49.41 C +ATOM 1349 O ILE A 175 5.063 45.146 80.205 1.00 49.26 O +ATOM 1350 CB ILE A 175 6.052 44.328 83.185 1.00 48.76 C +ATOM 1351 CG1 ILE A 175 6.192 45.608 84.027 1.00 47.89 C +ATOM 1352 CG2 ILE A 175 7.203 44.225 82.197 1.00 43.58 C +ATOM 1353 CD1 ILE A 175 7.222 45.460 85.165 1.00 48.39 C +ATOM 1354 N THR A 176 4.318 46.609 81.726 1.00 49.18 N +ATOM 1355 CA THR A 176 4.280 47.702 80.771 1.00 50.53 C +ATOM 1356 C THR A 176 5.170 48.855 81.185 1.00 50.83 C +ATOM 1357 O THR A 176 5.396 49.064 82.376 1.00 51.38 O +ATOM 1358 CB THR A 176 2.831 48.207 80.624 1.00 52.57 C +ATOM 1359 OG1 THR A 176 1.959 47.077 80.450 1.00 51.34 O +ATOM 1360 CG2 THR A 176 2.712 49.146 79.446 1.00 52.26 C +ATOM 1361 N ASN A 177 5.638 49.622 80.206 1.00 50.54 N +ATOM 1362 CA ASN A 177 6.521 50.763 80.460 1.00 53.26 C +ATOM 1363 C ASN A 177 7.624 50.347 81.449 1.00 54.66 C +ATOM 1364 O ASN A 177 7.806 50.980 82.498 1.00 53.87 O +ATOM 1365 CB ASN A 177 5.740 51.952 81.052 1.00 55.28 C +ATOM 1366 CG ASN A 177 4.579 52.409 80.159 1.00 58.75 C +ATOM 1367 OD1 ASN A 177 3.444 51.942 80.305 1.00 59.98 O +ATOM 1368 ND2 ASN A 177 4.870 53.310 79.222 1.00 56.21 N +ATOM 1369 N SER A 178 8.340 49.273 81.124 1.00 54.96 N +ATOM 1370 CA SER A 178 9.394 48.787 82.001 1.00 55.26 C +ATOM 1371 C SER A 178 10.801 48.962 81.465 1.00 55.99 C +ATOM 1372 O SER A 178 11.011 49.348 80.307 1.00 53.52 O +ATOM 1373 CB SER A 178 9.174 47.317 82.326 1.00 55.05 C +ATOM 1374 OG SER A 178 9.334 46.520 81.183 1.00 57.59 O +ATOM 1375 N GLU A 179 11.756 48.671 82.345 1.00 55.82 N +ATOM 1376 CA GLU A 179 13.182 48.743 82.059 1.00 57.52 C +ATOM 1377 C GLU A 179 13.668 47.303 82.249 1.00 56.36 C +ATOM 1378 O GLU A 179 13.162 46.600 83.112 1.00 56.65 O +ATOM 1379 CB GLU A 179 13.860 49.673 83.074 1.00 59.91 C +ATOM 1380 CG GLU A 179 14.955 50.519 82.491 1.00 63.99 C +ATOM 1381 CD GLU A 179 14.440 51.430 81.387 1.00 65.69 C +ATOM 1382 OE1 GLU A 179 13.736 52.417 81.702 1.00 66.30 O +ATOM 1383 OE2 GLU A 179 14.732 51.148 80.205 1.00 66.38 O +ATOM 1384 N GLU A 180 14.644 46.870 81.458 1.00 57.03 N +ATOM 1385 CA GLU A 180 15.141 45.492 81.533 1.00 57.92 C +ATOM 1386 C GLU A 180 16.652 45.361 81.768 1.00 55.94 C +ATOM 1387 O GLU A 180 17.450 46.094 81.186 1.00 56.16 O +ATOM 1388 CB GLU A 180 14.803 44.728 80.236 1.00 61.11 C +ATOM 1389 CG GLU A 180 13.315 44.565 79.920 1.00 67.68 C +ATOM 1390 CD GLU A 180 13.058 43.854 78.579 1.00 70.23 C +ATOM 1391 OE1 GLU A 180 13.588 42.735 78.381 1.00 71.48 O +ATOM 1392 OE2 GLU A 180 12.317 44.412 77.730 1.00 71.76 O +ATOM 1393 N VAL A 181 17.028 44.402 82.614 1.00 53.63 N +ATOM 1394 CA VAL A 181 18.428 44.107 82.902 1.00 49.44 C +ATOM 1395 C VAL A 181 18.618 42.595 82.873 1.00 47.01 C +ATOM 1396 O VAL A 181 17.988 41.849 83.636 1.00 44.94 O +ATOM 1397 CB VAL A 181 18.871 44.648 84.290 1.00 51.06 C +ATOM 1398 CG1 VAL A 181 20.290 44.183 84.592 1.00 51.05 C +ATOM 1399 CG2 VAL A 181 18.857 46.156 84.291 1.00 47.97 C +ATOM 1400 N ARG A 182 19.482 42.148 81.969 1.00 46.04 N +ATOM 1401 CA ARG A 182 19.795 40.736 81.799 1.00 46.67 C +ATOM 1402 C ARG A 182 21.004 40.404 82.665 1.00 45.10 C +ATOM 1403 O ARG A 182 21.997 41.139 82.638 1.00 43.96 O +ATOM 1404 CB ARG A 182 20.161 40.439 80.339 1.00 50.13 C +ATOM 1405 CG ARG A 182 19.041 40.658 79.335 1.00 59.02 C +ATOM 1406 CD ARG A 182 19.517 40.299 77.905 1.00 64.40 C +ATOM 1407 NE ARG A 182 20.253 39.029 77.905 1.00 69.28 N +ATOM 1408 CZ ARG A 182 20.770 38.432 76.829 1.00 71.32 C +ATOM 1409 NH1 ARG A 182 20.643 38.978 75.623 1.00 72.45 N +ATOM 1410 NH2 ARG A 182 21.414 37.274 76.966 1.00 72.39 N +ATOM 1411 N LEU A 183 20.913 39.306 83.411 1.00 43.49 N +ATOM 1412 CA LEU A 183 22.014 38.835 84.268 1.00 43.82 C +ATOM 1413 C LEU A 183 22.746 37.678 83.525 1.00 44.55 C +ATOM 1414 O LEU A 183 22.342 37.281 82.433 1.00 42.28 O +ATOM 1415 CB LEU A 183 21.464 38.299 85.600 1.00 42.38 C +ATOM 1416 CG LEU A 183 20.514 39.178 86.436 1.00 43.00 C +ATOM 1417 CD1 LEU A 183 20.401 38.597 87.817 1.00 41.47 C +ATOM 1418 CD2 LEU A 183 21.033 40.581 86.521 1.00 41.69 C +ATOM 1419 N ARG A 184 23.803 37.139 84.130 1.00 44.66 N +ATOM 1420 CA ARG A 184 24.548 36.021 83.530 1.00 43.96 C +ATOM 1421 C ARG A 184 23.663 34.786 83.505 1.00 43.29 C +ATOM 1422 O ARG A 184 22.673 34.680 84.258 1.00 41.41 O +ATOM 1423 CB ARG A 184 25.802 35.676 84.361 1.00 44.91 C +ATOM 1424 CG ARG A 184 26.823 36.818 84.521 1.00 48.46 C +ATOM 1425 CD ARG A 184 27.994 36.463 85.501 1.00 47.33 C +ATOM 1426 NE ARG A 184 28.938 37.581 85.592 1.00 51.62 N +ATOM 1427 CZ ARG A 184 29.186 38.303 86.692 1.00 53.56 C +ATOM 1428 NH1 ARG A 184 28.570 38.034 87.849 1.00 49.76 N +ATOM 1429 NH2 ARG A 184 30.044 39.327 86.631 1.00 53.24 N +ATOM 1430 N SER A 185 24.007 33.841 82.638 1.00 41.19 N +ATOM 1431 CA SER A 185 23.268 32.599 82.591 1.00 44.61 C +ATOM 1432 C SER A 185 24.164 31.605 83.305 1.00 44.51 C +ATOM 1433 O SER A 185 25.285 31.941 83.696 1.00 44.74 O +ATOM 1434 CB SER A 185 23.085 32.131 81.143 1.00 46.86 C +ATOM 1435 OG SER A 185 24.351 31.796 80.589 1.00 49.73 O +ATOM 1436 N PHE A 186 23.650 30.400 83.515 1.00 45.91 N +ATOM 1437 CA PHE A 186 24.447 29.308 84.077 1.00 47.07 C +ATOM 1438 C PHE A 186 23.883 28.007 83.490 1.00 47.74 C +ATOM 1439 O PHE A 186 22.712 27.965 83.097 1.00 45.71 O +ATOM 1440 CB PHE A 186 24.439 29.296 85.623 1.00 45.76 C +ATOM 1441 CG PHE A 186 23.206 28.726 86.243 1.00 46.12 C +ATOM 1442 CD1 PHE A 186 23.040 27.353 86.364 1.00 45.45 C +ATOM 1443 CD2 PHE A 186 22.211 29.577 86.759 1.00 46.21 C +ATOM 1444 CE1 PHE A 186 21.894 26.823 86.993 1.00 47.74 C +ATOM 1445 CE2 PHE A 186 21.076 29.063 87.384 1.00 46.05 C +ATOM 1446 CZ PHE A 186 20.915 27.681 87.504 1.00 46.20 C +ATOM 1447 N THR A 187 24.719 26.971 83.379 1.00 48.59 N +ATOM 1448 CA THR A 187 24.260 25.689 82.847 1.00 49.43 C +ATOM 1449 C THR A 187 24.921 24.459 83.471 1.00 49.94 C +ATOM 1450 O THR A 187 26.076 24.490 83.873 1.00 49.33 O +ATOM 1451 CB THR A 187 24.441 25.607 81.314 1.00 51.19 C +ATOM 1452 OG1 THR A 187 23.873 24.369 80.850 1.00 53.47 O +ATOM 1453 CG2 THR A 187 25.929 25.686 80.929 1.00 51.06 C +ATOM 1454 N THR A 188 24.167 23.376 83.567 1.00 51.46 N +ATOM 1455 CA THR A 188 24.685 22.128 84.113 1.00 53.79 C +ATOM 1456 C THR A 188 24.845 21.151 82.927 1.00 56.38 C +ATOM 1457 O THR A 188 24.957 19.931 83.120 1.00 58.47 O +ATOM 1458 CB THR A 188 23.686 21.498 85.072 1.00 53.09 C +ATOM 1459 OG1 THR A 188 22.579 20.982 84.318 1.00 52.04 O +ATOM 1460 CG2 THR A 188 23.185 22.531 86.078 1.00 53.89 C +ATOM 1461 N THR A 189 24.821 21.714 81.717 1.00 56.52 N +ATOM 1462 CA THR A 189 24.891 20.995 80.432 1.00 57.45 C +ATOM 1463 C THR A 189 23.586 20.246 80.200 1.00 57.01 C +ATOM 1464 O THR A 189 23.426 19.565 79.195 1.00 58.06 O +ATOM 1465 CB THR A 189 26.085 19.986 80.335 1.00 56.74 C +ATOM 1466 OG1 THR A 189 25.838 18.846 81.174 1.00 54.84 O +ATOM 1467 CG2 THR A 189 27.396 20.667 80.731 1.00 55.83 C +ATOM 1468 N ILE A 190 22.656 20.366 81.147 1.00 56.56 N +ATOM 1469 CA ILE A 190 21.478 19.467 81.145 1.00 54.73 C +ATOM 1470 C ILE A 190 20.375 20.534 81.250 1.00 54.75 C +ATOM 1471 O ILE A 190 19.367 20.490 80.525 1.00 55.89 O +ATOM 1472 CB ILE A 190 21.289 18.403 82.235 1.00 55.65 C +ATOM 1473 CG1 ILE A 190 22.308 17.275 82.024 1.00 56.23 C +ATOM 1474 CG2 ILE A 190 19.853 17.832 82.182 1.00 55.56 C +ATOM 1475 CD1 ILE A 190 22.066 16.067 82.914 1.00 57.89 C +ATOM 1476 N HIS A 191 20.546 21.476 82.176 1.00 52.02 N +ATOM 1477 CA HIS A 191 19.587 22.557 82.310 1.00 48.64 C +ATOM 1478 C HIS A 191 20.350 23.849 82.267 1.00 48.16 C +ATOM 1479 O HIS A 191 21.308 24.047 83.035 1.00 46.77 O +ATOM 1480 CB HIS A 191 18.841 22.510 83.622 1.00 46.95 C +ATOM 1481 CG HIS A 191 17.952 21.327 83.778 1.00 45.76 C +ATOM 1482 ND1 HIS A 191 18.251 20.289 84.634 1.00 47.46 N +ATOM 1483 CD2 HIS A 191 16.735 21.050 83.258 1.00 45.29 C +ATOM 1484 CE1 HIS A 191 17.249 19.427 84.641 1.00 46.16 C +ATOM 1485 NE2 HIS A 191 16.318 19.868 83.816 1.00 46.09 N +ATOM 1486 N LYS A 192 19.938 24.718 81.354 1.00 46.53 N +ATOM 1487 CA LYS A 192 20.544 26.031 81.232 1.00 47.54 C +ATOM 1488 C LYS A 192 19.528 27.035 81.802 1.00 48.09 C +ATOM 1489 O LYS A 192 18.323 26.937 81.526 1.00 47.26 O +ATOM 1490 CB LYS A 192 20.807 26.376 79.780 1.00 47.70 C +ATOM 1491 CG LYS A 192 21.508 27.709 79.611 1.00 49.81 C +ATOM 1492 CD LYS A 192 21.653 28.088 78.147 1.00 51.97 C +ATOM 1493 CE LYS A 192 22.280 29.461 78.007 1.00 54.71 C +ATOM 1494 NZ LYS A 192 22.264 29.910 76.586 1.00 58.27 N +ATOM 1495 N VAL A 193 20.023 28.016 82.549 1.00 46.46 N +ATOM 1496 CA VAL A 193 19.143 28.994 83.175 1.00 46.24 C +ATOM 1497 C VAL A 193 19.553 30.433 82.905 1.00 46.13 C +ATOM 1498 O VAL A 193 20.661 30.864 83.265 1.00 44.38 O +ATOM 1499 CB VAL A 193 19.079 28.783 84.717 1.00 45.04 C +ATOM 1500 CG1 VAL A 193 18.345 29.946 85.390 1.00 45.45 C +ATOM 1501 CG2 VAL A 193 18.378 27.509 85.031 1.00 43.61 C +ATOM 1502 N ASN A 194 18.648 31.167 82.263 1.00 44.18 N +ATOM 1503 CA ASN A 194 18.892 32.573 81.989 1.00 45.56 C +ATOM 1504 C ASN A 194 18.081 33.385 83.008 1.00 43.87 C +ATOM 1505 O ASN A 194 16.997 32.960 83.393 1.00 42.12 O +ATOM 1506 CB ASN A 194 18.460 32.914 80.570 1.00 48.11 C +ATOM 1507 CG ASN A 194 19.413 32.344 79.532 1.00 51.22 C +ATOM 1508 OD1 ASN A 194 20.448 32.937 79.239 1.00 53.32 O +ATOM 1509 ND2 ASN A 194 19.077 31.181 78.998 1.00 51.33 N +ATOM 1510 N SER A 195 18.615 34.535 83.423 1.00 42.14 N +ATOM 1511 CA SER A 195 17.960 35.401 84.419 1.00 41.22 C +ATOM 1512 C SER A 195 17.862 36.861 83.990 1.00 40.94 C +ATOM 1513 O SER A 195 18.828 37.436 83.447 1.00 38.21 O +ATOM 1514 CB SER A 195 18.739 35.380 85.738 1.00 37.98 C +ATOM 1515 OG SER A 195 18.847 34.082 86.271 1.00 40.34 O +ATOM 1516 N MET A 196 16.698 37.465 84.248 1.00 40.51 N +ATOM 1517 CA MET A 196 16.525 38.882 83.950 1.00 41.45 C +ATOM 1518 C MET A 196 15.418 39.533 84.792 1.00 38.56 C +ATOM 1519 O MET A 196 14.551 38.851 85.330 1.00 38.05 O +ATOM 1520 CB MET A 196 16.258 39.112 82.452 1.00 44.28 C +ATOM 1521 CG MET A 196 14.864 38.767 81.962 1.00 51.79 C +ATOM 1522 SD MET A 196 13.606 40.079 82.260 1.00 59.41 S +ATOM 1523 CE MET A 196 13.877 41.122 80.791 1.00 58.63 C +ATOM 1524 N VAL A 197 15.509 40.854 84.922 1.00 39.97 N +ATOM 1525 CA VAL A 197 14.541 41.641 85.665 1.00 40.69 C +ATOM 1526 C VAL A 197 14.007 42.822 84.867 1.00 37.66 C +ATOM 1527 O VAL A 197 14.782 43.647 84.359 1.00 38.36 O +ATOM 1528 CB VAL A 197 15.132 42.300 86.941 1.00 41.00 C +ATOM 1529 CG1 VAL A 197 13.976 42.759 87.856 1.00 41.88 C +ATOM 1530 CG2 VAL A 197 16.037 41.369 87.631 1.00 47.74 C +ATOM 1531 N ALA A 198 12.682 42.906 84.800 1.00 37.97 N +ATOM 1532 CA ALA A 198 11.987 44.032 84.153 1.00 38.55 C +ATOM 1533 C ALA A 198 11.364 44.802 85.336 1.00 37.00 C +ATOM 1534 O ALA A 198 10.676 44.208 86.158 1.00 35.19 O +ATOM 1535 CB ALA A 198 10.888 43.523 83.248 1.00 40.02 C +ATOM 1536 N TYR A 199 11.609 46.096 85.415 1.00 38.68 N +ATOM 1537 CA TYR A 199 11.083 46.890 86.530 1.00 43.41 C +ATOM 1538 C TYR A 199 10.631 48.257 86.027 1.00 46.84 C +ATOM 1539 O TYR A 199 10.878 48.608 84.870 1.00 44.76 O +ATOM 1540 CB TYR A 199 12.169 47.077 87.600 1.00 41.37 C +ATOM 1541 CG TYR A 199 13.404 47.738 87.062 1.00 40.13 C +ATOM 1542 CD1 TYR A 199 13.630 49.105 87.230 1.00 40.37 C +ATOM 1543 CD2 TYR A 199 14.344 46.992 86.343 1.00 42.76 C +ATOM 1544 CE1 TYR A 199 14.767 49.714 86.698 1.00 43.09 C +ATOM 1545 CE2 TYR A 199 15.479 47.585 85.803 1.00 42.73 C +ATOM 1546 CZ TYR A 199 15.691 48.933 85.982 1.00 44.38 C +ATOM 1547 OH TYR A 199 16.839 49.483 85.444 1.00 46.78 O +ATOM 1548 N LYS A 200 9.991 49.026 86.910 1.00 50.70 N +ATOM 1549 CA LYS A 200 9.484 50.343 86.550 1.00 56.02 C +ATOM 1550 C LYS A 200 10.192 51.494 87.242 1.00 60.43 C +ATOM 1551 O LYS A 200 10.272 51.557 88.478 1.00 60.09 O +ATOM 1552 CB LYS A 200 7.987 50.424 86.832 1.00 55.98 C +ATOM 1553 CG LYS A 200 7.165 49.395 86.092 1.00 56.92 C +ATOM 1554 CD LYS A 200 5.719 49.884 85.932 1.00 59.00 C +ATOM 1555 CE LYS A 200 4.880 48.902 85.160 1.00 60.21 C +ATOM 1556 NZ LYS A 200 3.629 49.538 84.619 1.00 60.26 N +ATOM 1557 N ILE A 201 10.703 52.410 86.426 1.00 64.86 N +ATOM 1558 CA ILE A 201 11.408 53.567 86.927 1.00 70.29 C +ATOM 1559 C ILE A 201 10.413 54.690 87.163 1.00 73.71 C +ATOM 1560 O ILE A 201 9.517 54.917 86.351 1.00 74.21 O +ATOM 1561 CB ILE A 201 12.497 54.027 85.926 1.00 71.03 C +ATOM 1562 CG1 ILE A 201 13.277 55.205 86.503 1.00 72.56 C +ATOM 1563 CG2 ILE A 201 11.869 54.434 84.615 1.00 71.55 C +ATOM 1564 CD1 ILE A 201 14.443 55.649 85.623 1.00 72.63 C +ATOM 1565 N PRO A 202 10.528 55.375 88.312 1.00 77.25 N +ATOM 1566 CA PRO A 202 9.642 56.493 88.670 1.00 79.38 C +ATOM 1567 C PRO A 202 9.892 57.640 87.687 1.00 81.69 C +ATOM 1568 O PRO A 202 10.940 58.296 87.756 1.00 82.72 O +ATOM 1569 CB PRO A 202 10.095 56.851 90.086 1.00 79.23 C +ATOM 1570 CG PRO A 202 10.601 55.522 90.631 1.00 78.94 C +ATOM 1571 CD PRO A 202 11.387 54.998 89.452 1.00 77.71 C +ATOM 1572 N VAL A 203 8.943 57.868 86.777 1.00 83.23 N +ATOM 1573 CA VAL A 203 9.063 58.924 85.765 1.00 84.66 C +ATOM 1574 C VAL A 203 9.587 60.245 86.346 1.00 85.36 C +ATOM 1575 O VAL A 203 10.648 60.718 85.866 1.00 85.35 O +ATOM 1576 CB VAL A 203 7.695 59.176 85.058 1.00 84.96 C +ATOM 1577 CG1 VAL A 203 7.810 60.327 84.050 1.00 84.12 C +ATOM 1578 CG2 VAL A 203 7.236 57.899 84.358 1.00 84.44 C +TER 1579 VAL A 203 +END diff --git a/bench/main_benchmark/structures/SFB_FS_MPT53_1LU4A_3EMXA/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_MPT53_1LU4A_3EMXA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..55494528e22d0cae63d26ec14d7adb5d3f1648db --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_MPT53_1LU4A_3EMXA/state_a.pdb @@ -0,0 +1,1078 @@ +ATOM 1 N ALA A1001 25.751 12.273 25.861 1.00 41.03 N +ATOM 2 CA ALA A1001 26.313 12.636 24.568 1.00 45.14 C +ATOM 3 C ALA A1001 27.762 12.182 24.806 1.00 48.49 C +ATOM 4 O ALA A1001 28.153 12.222 25.990 1.00 41.77 O +ATOM 5 CB ALA A1001 25.931 14.027 24.129 1.00 45.25 C +ATOM 6 N ASP A1002 28.255 11.758 23.669 1.00 32.83 N +ATOM 7 CA ASP A1002 29.615 11.266 23.526 1.00 32.20 C +ATOM 8 C ASP A1002 30.043 10.547 24.793 1.00 23.58 C +ATOM 9 O ASP A1002 29.617 9.390 25.008 1.00 34.46 O +ATOM 10 CB ASP A1002 30.474 12.467 23.091 1.00 42.73 C +ATOM 11 CG ASP A1002 30.838 12.322 21.626 1.00 48.42 C +ATOM 12 OD1 ASP A1002 30.327 12.989 20.703 1.00 53.21 O +ATOM 13 OD2 ASP A1002 31.713 11.454 21.393 1.00 69.05 O +ATOM 14 N GLU A1003 30.859 11.089 25.696 1.00 26.97 N +ATOM 15 CA GLU A1003 31.437 10.294 26.767 1.00 35.21 C +ATOM 16 C GLU A1003 30.448 9.827 27.826 1.00 30.99 C +ATOM 17 O GLU A1003 30.711 8.891 28.603 1.00 27.74 O +ATOM 18 CB GLU A1003 32.573 11.130 27.414 1.00 39.10 C +ATOM 19 CG GLU A1003 33.576 10.202 28.088 1.00 49.73 C +ATOM 20 CD GLU A1003 34.992 10.735 28.092 1.00 54.45 C +ATOM 21 OE1 GLU A1003 35.174 11.935 27.796 1.00 68.13 O +ATOM 22 OE2 GLU A1003 35.907 9.941 28.395 1.00 71.19 O +ATOM 23 N ARG A1004 29.247 10.399 27.956 1.00 24.47 N +ATOM 24 CA ARG A1004 28.388 9.739 28.911 1.00 23.13 C +ATOM 25 C ARG A1004 27.952 8.320 28.545 1.00 22.18 C +ATOM 26 O ARG A1004 27.606 7.543 29.443 1.00 26.68 O +ATOM 27 CB ARG A1004 27.081 10.514 29.047 1.00 22.83 C +ATOM 28 CG ARG A1004 27.243 11.892 29.628 1.00 21.91 C +ATOM 29 CD ARG A1004 25.919 12.633 29.738 1.00 22.05 C +ATOM 30 NE ARG A1004 25.291 12.809 28.434 1.00 25.65 N +ATOM 31 CZ ARG A1004 24.085 13.289 28.156 1.00 26.64 C +ATOM 32 NH1 ARG A1004 23.355 13.706 29.210 1.00 30.20 N +ATOM 33 NH2 ARG A1004 23.563 13.401 26.944 1.00 29.37 N +ATOM 34 N LEU A1005 27.971 8.030 27.251 1.00 24.59 N +ATOM 35 CA LEU A1005 27.634 6.677 26.816 1.00 22.96 C +ATOM 36 C LEU A1005 28.693 5.668 27.290 1.00 23.11 C +ATOM 37 O LEU A1005 28.479 4.483 27.117 1.00 23.75 O +ATOM 38 CB LEU A1005 27.542 6.620 25.296 1.00 23.38 C +ATOM 39 CG LEU A1005 26.319 7.326 24.708 1.00 21.26 C +ATOM 40 CD1 LEU A1005 26.477 7.467 23.202 1.00 21.96 C +ATOM 41 CD2 LEU A1005 25.033 6.542 25.038 1.00 23.32 C +ATOM 42 N GLN A1006 29.825 6.083 27.870 1.00 27.87 N +ATOM 43 CA GLN A1006 30.889 5.187 28.291 1.00 28.63 C +ATOM 44 C GLN A1006 30.535 4.586 29.637 1.00 26.06 C +ATOM 45 O GLN A1006 31.121 4.934 30.656 1.00 28.54 O +ATOM 46 CB GLN A1006 32.208 5.948 28.324 1.00 33.59 C +ATOM 47 CG GLN A1006 32.349 6.963 27.205 1.00 45.12 C +ATOM 48 CD GLN A1006 33.702 6.748 26.547 1.00 54.15 C +ATOM 49 OE1 GLN A1006 34.230 7.699 26.007 1.00 59.73 O +ATOM 50 NE2 GLN A1006 34.146 5.501 26.664 1.00 65.50 N +ATOM 51 N PHE A1007 29.523 3.720 29.626 1.00 25.60 N +ATOM 52 CA PHE A1007 29.141 3.006 30.840 1.00 24.02 C +ATOM 53 C PHE A1007 29.051 1.522 30.511 1.00 18.51 C +ATOM 54 O PHE A1007 28.860 1.191 29.339 1.00 18.90 O +ATOM 55 CB PHE A1007 27.822 3.484 31.426 1.00 21.45 C +ATOM 56 CG PHE A1007 26.620 3.364 30.491 1.00 18.24 C +ATOM 57 CD1 PHE A1007 25.860 2.218 30.358 1.00 19.95 C +ATOM 58 CD2 PHE A1007 26.217 4.467 29.746 1.00 20.62 C +ATOM 59 CE1 PHE A1007 24.792 2.146 29.515 1.00 19.20 C +ATOM 60 CE2 PHE A1007 25.120 4.381 28.880 1.00 18.86 C +ATOM 61 CZ PHE A1007 24.365 3.219 28.768 1.00 18.24 C +ATOM 62 N THR A1008 29.084 0.724 31.556 1.00 19.23 N +ATOM 63 CA THR A1008 28.736 -0.696 31.370 1.00 19.16 C +ATOM 64 C THR A1008 27.563 -0.999 32.276 1.00 16.16 C +ATOM 65 O THR A1008 27.273 -0.318 33.264 1.00 22.79 O +ATOM 66 CB THR A1008 29.916 -1.653 31.587 1.00 25.01 C +ATOM 67 OG1 THR A1008 30.413 -1.549 32.933 1.00 36.47 O +ATOM 68 CG2 THR A1008 31.048 -1.279 30.634 1.00 33.09 C +ATOM 69 N ALA A1009 26.867 -2.047 31.853 1.00 15.15 N +ATOM 70 CA ALA A1009 25.631 -2.380 32.509 1.00 14.84 C +ATOM 71 C ALA A1009 25.318 -3.860 32.433 1.00 14.14 C +ATOM 72 O ALA A1009 26.060 -4.587 31.768 1.00 14.41 O +ATOM 73 CB ALA A1009 24.541 -1.573 31.789 1.00 13.79 C +ATOM 74 N THR A1010 24.235 -4.263 33.045 1.00 13.47 N +ATOM 75 CA THR A1010 23.718 -5.644 32.939 1.00 13.12 C +ATOM 76 C THR A1010 22.277 -5.565 32.454 1.00 11.15 C +ATOM 77 O THR A1010 21.477 -4.800 32.967 1.00 11.94 O +ATOM 78 CB THR A1010 23.757 -6.372 34.278 1.00 15.57 C +ATOM 79 OG1 THR A1010 25.125 -6.418 34.693 1.00 21.69 O +ATOM 80 CG2 THR A1010 23.318 -7.820 34.215 1.00 20.00 C +ATOM 81 N THR A1011 21.964 -6.410 31.461 1.00 11.16 N +ATOM 82 CA THR A1011 20.610 -6.433 30.933 1.00 10.40 C +ATOM 83 C THR A1011 19.664 -7.176 31.825 1.00 10.93 C +ATOM 84 O THR A1011 20.124 -7.857 32.777 1.00 13.62 O +ATOM 85 CB THR A1011 20.556 -7.075 29.528 1.00 12.28 C +ATOM 86 OG1 THR A1011 20.708 -8.507 29.656 1.00 14.73 O +ATOM 87 CG2 THR A1011 21.662 -6.553 28.600 1.00 13.71 C +ATOM 88 N LEU A1012 18.366 -7.052 31.561 1.00 11.88 N +ATOM 89 CA LEU A1012 17.434 -7.756 32.445 1.00 13.85 C +ATOM 90 C LEU A1012 17.631 -9.254 32.353 1.00 19.48 C +ATOM 91 O LEU A1012 17.231 -9.924 33.296 1.00 28.31 O +ATOM 92 CB LEU A1012 15.982 -7.485 32.073 1.00 14.17 C +ATOM 93 CG LEU A1012 15.579 -6.036 32.019 1.00 11.37 C +ATOM 94 CD1 LEU A1012 14.054 -5.958 31.797 1.00 12.81 C +ATOM 95 CD2 LEU A1012 15.968 -5.267 33.242 1.00 13.44 C +ATOM 96 N SER A1013 18.168 -9.804 31.272 1.00 20.39 N +ATOM 97 CA SER A1013 18.421 -11.208 31.017 1.00 25.56 C +ATOM 98 C SER A1013 19.687 -11.660 31.712 1.00 24.97 C +ATOM 99 O SER A1013 19.997 -12.844 31.761 1.00 31.90 O +ATOM 100 CB SER A1013 18.601 -11.496 29.529 1.00 29.96 C +ATOM 101 OG SER A1013 17.349 -11.313 28.901 1.00 31.90 O +ATOM 102 N GLY A1014 20.477 -10.708 32.183 1.00 20.38 N +ATOM 103 CA GLY A1014 21.725 -11.000 32.862 1.00 21.56 C +ATOM 104 C GLY A1014 22.972 -10.872 32.019 1.00 19.50 C +ATOM 105 O GLY A1014 24.050 -11.316 32.448 1.00 24.91 O +ATOM 106 N ALA A1015 22.836 -10.326 30.791 1.00 16.98 N +ATOM 107 CA ALA A1015 23.973 -10.213 29.879 1.00 16.39 C +ATOM 108 C ALA A1015 24.710 -8.904 30.120 1.00 17.19 C +ATOM 109 O ALA A1015 24.104 -7.884 30.505 1.00 16.06 O +ATOM 110 CB ALA A1015 23.474 -10.297 28.452 1.00 21.41 C +ATOM 111 N PRO A1016 26.012 -8.862 29.898 1.00 17.48 N +ATOM 112 CA PRO A1016 26.675 -7.556 29.928 1.00 16.05 C +ATOM 113 C PRO A1016 26.289 -6.707 28.747 1.00 16.38 C +ATOM 114 O PRO A1016 25.938 -7.209 27.678 1.00 17.52 O +ATOM 115 CD PRO A1016 26.979 -9.969 29.628 1.00 26.98 C +ATOM 116 N PHE A1017 26.349 -5.391 28.964 1.00 14.21 N +ATOM 117 CA PHE A1017 26.103 -4.456 27.861 1.00 12.96 C +ATOM 118 C PHE A1017 27.072 -3.301 28.020 1.00 13.93 C +ATOM 119 O PHE A1017 27.255 -2.787 29.140 1.00 15.85 O +ATOM 120 CB PHE A1017 24.659 -3.978 27.883 1.00 12.79 C +ATOM 121 CG PHE A1017 24.388 -2.946 26.780 1.00 12.33 C +ATOM 122 CD1 PHE A1017 24.168 -3.421 25.487 1.00 13.44 C +ATOM 123 CD2 PHE A1017 24.374 -1.608 27.039 1.00 13.38 C +ATOM 124 CE1 PHE A1017 23.924 -2.497 24.471 1.00 15.30 C +ATOM 125 CE2 PHE A1017 24.128 -0.673 26.015 1.00 14.92 C +ATOM 126 CZ PHE A1017 23.919 -1.128 24.729 1.00 15.75 C +ATOM 127 N ASP A1018 27.665 -2.844 26.940 1.00 14.89 N +ATOM 128 CA ASP A1018 28.614 -1.728 26.956 1.00 16.12 C +ATOM 129 C ASP A1018 28.014 -0.564 26.204 1.00 13.98 C +ATOM 130 O ASP A1018 27.800 -0.672 24.991 1.00 15.04 O +ATOM 131 CB ASP A1018 29.913 -2.162 26.294 1.00 17.47 C +ATOM 132 CG ASP A1018 30.992 -1.113 26.258 1.00 21.47 C +ATOM 133 OD1 ASP A1018 30.750 0.003 26.777 1.00 23.48 O +ATOM 134 OD2 ASP A1018 32.068 -1.427 25.711 1.00 28.70 O +ATOM 135 N GLY A1019 27.709 0.505 26.909 1.00 13.92 N +ATOM 136 CA GLY A1019 27.168 1.712 26.344 1.00 14.77 C +ATOM 137 C GLY A1019 28.013 2.317 25.257 1.00 15.33 C +ATOM 138 O GLY A1019 27.510 3.018 24.362 1.00 15.76 O +ATOM 139 N ALA A1020 29.315 2.037 25.291 1.00 16.65 N +ATOM 140 CA ALA A1020 30.188 2.630 24.279 1.00 17.99 C +ATOM 141 C ALA A1020 29.774 2.089 22.909 1.00 16.94 C +ATOM 142 O ALA A1020 30.076 2.755 21.918 1.00 17.69 O +ATOM 143 CB ALA A1020 31.635 2.319 24.599 1.00 26.32 C +ATOM 144 N SER A1021 29.127 0.923 22.874 1.00 16.09 N +ATOM 145 CA SER A1021 28.683 0.388 21.573 1.00 16.25 C +ATOM 146 C SER A1021 27.662 1.276 20.901 1.00 15.13 C +ATOM 147 O SER A1021 27.463 1.087 19.708 1.00 16.02 O +ATOM 148 CB SER A1021 28.114 -1.032 21.776 1.00 17.52 C +ATOM 149 OG SER A1021 26.872 -1.004 22.470 1.00 15.37 O +ATOM 150 N LEU A1022 27.059 2.223 21.631 1.00 14.09 N +ATOM 151 CA LEU A1022 26.069 3.100 21.061 1.00 14.27 C +ATOM 152 C LEU A1022 26.721 4.265 20.368 1.00 13.79 C +ATOM 153 O LEU A1022 26.059 4.994 19.609 1.00 14.73 O +ATOM 154 CB LEU A1022 25.117 3.610 22.165 1.00 14.36 C +ATOM 155 CG LEU A1022 24.264 2.488 22.807 1.00 12.64 C +ATOM 156 CD1 LEU A1022 23.560 3.057 24.017 1.00 14.96 C +ATOM 157 CD2 LEU A1022 23.286 1.877 21.821 1.00 12.63 C +ATOM 158 N GLN A1023 27.999 4.518 20.642 1.00 14.55 N +ATOM 159 CA GLN A1023 28.607 5.704 20.012 1.00 18.88 C +ATOM 160 C GLN A1023 28.630 5.564 18.499 1.00 16.74 C +ATOM 161 O GLN A1023 28.905 4.509 17.870 1.00 20.50 O +ATOM 162 CB GLN A1023 29.995 5.903 20.649 1.00 19.52 C +ATOM 163 CG GLN A1023 29.894 6.271 22.119 1.00 23.46 C +ATOM 164 CD GLN A1023 31.218 6.425 22.834 1.00 34.61 C +ATOM 165 OE1 GLN A1023 31.368 7.304 23.708 1.00 39.66 O +ATOM 166 NE2 GLN A1023 32.193 5.583 22.479 1.00 35.90 N +ATOM 167 N GLY A1024 28.315 6.666 17.802 1.00 15.93 N +ATOM 168 CA GLY A1024 28.426 6.803 16.368 1.00 17.39 C +ATOM 169 C GLY A1024 27.251 6.228 15.608 1.00 16.53 C +ATOM 170 O GLY A1024 27.390 6.049 14.392 1.00 19.20 O +ATOM 171 N LYS A1025 26.144 5.957 16.302 1.00 15.30 N +ATOM 172 CA LYS A1025 24.973 5.501 15.541 1.00 14.72 C +ATOM 173 C LYS A1025 23.749 6.150 16.198 1.00 13.31 C +ATOM 174 O LYS A1025 23.742 6.627 17.342 1.00 14.53 O +ATOM 175 CB LYS A1025 24.961 3.980 15.455 1.00 22.31 C +ATOM 176 CG LYS A1025 24.875 3.368 16.814 1.00 30.13 C +ATOM 177 CD LYS A1025 24.603 1.878 16.830 1.00 30.01 C +ATOM 178 CE LYS A1025 25.842 1.037 16.977 1.00 29.75 C +ATOM 179 NZ LYS A1025 25.510 -0.242 17.651 1.00 26.82 N +ATOM 180 N PRO A1026 22.661 6.264 15.451 1.00 11.40 N +ATOM 181 CA PRO A1026 21.424 6.815 16.007 1.00 11.18 C +ATOM 182 C PRO A1026 20.899 5.856 17.102 1.00 10.82 C +ATOM 183 O PRO A1026 20.924 4.636 16.955 1.00 12.33 O +ATOM 184 CB PRO A1026 20.459 6.827 14.826 1.00 12.08 C +ATOM 185 CG PRO A1026 21.069 6.007 13.740 1.00 20.47 C +ATOM 186 CD PRO A1026 22.512 5.818 14.036 1.00 13.97 C +ATOM 187 N ALA A1027 20.469 6.459 18.208 1.00 10.22 N +ATOM 188 CA ALA A1027 20.063 5.634 19.331 1.00 9.74 C +ATOM 189 C ALA A1027 19.017 6.373 20.159 1.00 9.56 C +ATOM 190 O ALA A1027 18.949 7.628 20.115 1.00 10.39 O +ATOM 191 CB ALA A1027 21.296 5.297 20.185 1.00 10.86 C +ATOM 192 N VAL A1028 18.281 5.618 20.933 1.00 9.15 N +ATOM 193 CA VAL A1028 17.301 6.197 21.859 1.00 8.58 C +ATOM 194 C VAL A1028 17.527 5.497 23.198 1.00 8.65 C +ATOM 195 O VAL A1028 17.458 4.274 23.286 1.00 9.46 O +ATOM 196 CB VAL A1028 15.861 5.989 21.366 1.00 10.03 C +ATOM 197 CG1 VAL A1028 14.848 6.495 22.421 1.00 12.20 C +ATOM 198 CG2 VAL A1028 15.575 6.649 20.020 1.00 11.39 C +ATOM 199 N LEU A1029 17.732 6.325 24.257 1.00 7.96 N +ATOM 200 CA LEU A1029 17.668 5.814 25.615 1.00 7.98 C +ATOM 201 C LEU A1029 16.297 6.135 26.191 1.00 8.33 C +ATOM 202 O LEU A1029 15.811 7.275 26.037 1.00 9.97 O +ATOM 203 CB LEU A1029 18.725 6.453 26.523 1.00 9.06 C +ATOM 204 CG LEU A1029 20.171 6.386 26.047 1.00 10.01 C +ATOM 205 CD1 LEU A1029 21.088 7.033 27.074 1.00 11.76 C +ATOM 206 CD2 LEU A1029 20.609 4.953 25.694 1.00 11.36 C +ATOM 207 N TRP A1030 15.683 5.169 26.861 1.00 7.95 N +ATOM 208 CA TRP A1030 14.390 5.372 27.473 1.00 7.86 C +ATOM 209 C TRP A1030 14.483 4.914 28.914 1.00 7.71 C +ATOM 210 O TRP A1030 14.682 3.731 29.197 1.00 8.56 O +ATOM 211 CB TRP A1030 13.310 4.591 26.728 1.00 9.25 C +ATOM 212 CG TRP A1030 11.910 4.779 27.233 1.00 8.24 C +ATOM 213 CD1 TRP A1030 11.227 5.953 27.407 1.00 9.35 C +ATOM 214 CD2 TRP A1030 10.965 3.751 27.584 1.00 8.52 C +ATOM 215 NE1 TRP A1030 9.954 5.737 27.857 1.00 10.14 N +ATOM 216 CE2 TRP A1030 9.775 4.395 27.969 1.00 9.20 C +ATOM 217 CE3 TRP A1030 11.052 2.349 27.597 1.00 9.41 C +ATOM 218 CZ2 TRP A1030 8.651 3.661 28.376 1.00 10.79 C +ATOM 219 CZ3 TRP A1030 9.914 1.618 28.009 1.00 10.76 C +ATOM 220 CH2 TRP A1030 8.759 2.302 28.383 1.00 11.03 C +ATOM 221 N PHE A1031 14.351 5.885 29.830 1.00 7.42 N +ATOM 222 CA PHE A1031 14.432 5.612 31.285 1.00 8.43 C +ATOM 223 C PHE A1031 13.060 5.380 31.810 1.00 7.52 C +ATOM 224 O PHE A1031 12.168 6.256 31.714 1.00 9.39 O +ATOM 225 CB PHE A1031 15.063 6.849 31.979 1.00 8.64 C +ATOM 226 CG PHE A1031 16.503 7.074 31.579 1.00 8.96 C +ATOM 227 CD1 PHE A1031 16.852 7.771 30.414 1.00 10.32 C +ATOM 228 CD2 PHE A1031 17.542 6.574 32.381 1.00 10.07 C +ATOM 229 CE1 PHE A1031 18.177 7.959 30.086 1.00 11.52 C +ATOM 230 CE2 PHE A1031 18.874 6.756 32.025 1.00 11.00 C +ATOM 231 CZ PHE A1031 19.216 7.437 30.863 1.00 11.91 C +ATOM 232 N TRP A1032 12.835 4.199 32.369 1.00 7.95 N +ATOM 233 CA TRP A1032 11.468 3.789 32.791 1.00 7.71 C +ATOM 234 C TRP A1032 11.516 3.065 34.118 1.00 7.17 C +ATOM 235 O TRP A1032 12.545 2.598 34.615 1.00 7.83 O +ATOM 236 CB TRP A1032 10.912 2.876 31.712 1.00 8.15 C +ATOM 237 CG TRP A1032 11.574 1.595 31.358 1.00 7.51 C +ATOM 238 CD1 TRP A1032 12.537 1.434 30.410 1.00 7.75 C +ATOM 239 CD2 TRP A1032 11.332 0.289 31.904 1.00 8.05 C +ATOM 240 NE1 TRP A1032 12.933 0.121 30.305 1.00 7.99 N +ATOM 241 CE2 TRP A1032 12.192 -0.603 31.212 1.00 7.85 C +ATOM 242 CE3 TRP A1032 10.477 -0.207 32.886 1.00 9.38 C +ATOM 243 CZ2 TRP A1032 12.219 -1.980 31.471 1.00 8.12 C +ATOM 244 CZ3 TRP A1032 10.507 -1.567 33.143 1.00 9.43 C +ATOM 245 CH2 TRP A1032 11.380 -2.446 32.456 1.00 9.19 C +ATOM 246 N THR A1033 10.296 2.983 34.725 1.00 7.99 N +ATOM 247 CA THR A1033 10.084 2.078 35.833 1.00 8.39 C +ATOM 248 C THR A1033 8.780 1.336 35.570 1.00 7.99 C +ATOM 249 O THR A1033 7.886 1.893 34.939 1.00 8.94 O +ATOM 250 CB THR A1033 9.990 2.839 37.189 1.00 9.89 C +ATOM 251 OG1 THR A1033 8.763 3.642 37.255 1.00 13.74 O +ATOM 252 CG2 THR A1033 11.145 3.713 37.531 1.00 14.18 C +ATOM 253 N PRO A1034 8.629 0.064 36.013 1.00 8.50 N +ATOM 254 CA PRO A1034 7.496 -0.719 35.524 1.00 8.86 C +ATOM 255 C PRO A1034 6.162 -0.330 36.117 1.00 8.84 C +ATOM 256 O PRO A1034 5.113 -0.719 35.576 1.00 9.57 O +ATOM 257 CB PRO A1034 7.902 -2.157 35.891 1.00 9.74 C +ATOM 258 CG PRO A1034 8.887 -2.011 37.040 1.00 9.42 C +ATOM 259 CD PRO A1034 9.637 -0.725 36.678 1.00 9.70 C +ATOM 260 N TRP A1035 6.179 0.418 37.236 1.00 9.92 N +ATOM 261 CA TRP A1035 4.958 0.732 37.933 1.00 10.53 C +ATOM 262 C TRP A1035 4.501 2.129 37.636 1.00 10.21 C +ATOM 263 O TRP A1035 3.439 2.570 38.150 1.00 12.59 O +ATOM 264 CB TRP A1035 5.230 0.563 39.441 1.00 11.75 C +ATOM 265 CG TRP A1035 6.585 1.028 39.933 1.00 11.71 C +ATOM 266 CD1 TRP A1035 7.645 0.190 40.213 1.00 11.58 C +ATOM 267 CD2 TRP A1035 7.058 2.344 40.195 1.00 11.23 C +ATOM 268 NE1 TRP A1035 8.750 0.934 40.653 1.00 12.34 N +ATOM 269 CE2 TRP A1035 8.364 2.254 40.651 1.00 11.82 C +ATOM 270 CE3 TRP A1035 6.412 3.599 40.115 1.00 11.92 C +ATOM 271 CZ2 TRP A1035 9.138 3.369 41.013 1.00 12.45 C +ATOM 272 CZ3 TRP A1035 7.139 4.708 40.483 1.00 13.74 C +ATOM 273 CH2 TRP A1035 8.479 4.545 40.937 1.00 12.46 C +ATOM 274 N CYS A1036 5.175 2.842 36.740 1.00 9.75 N +ATOM 275 CA CYS A1036 4.771 4.186 36.387 1.00 9.77 C +ATOM 276 C CYS A1036 3.668 4.168 35.328 1.00 9.48 C +ATOM 277 O CYS A1036 3.861 3.517 34.265 1.00 9.89 O +ATOM 278 CB CYS A1036 5.976 4.981 35.863 1.00 10.40 C +ATOM 279 SG CYS A1036 5.520 6.533 35.065 1.00 10.20 S +ATOM 280 N PRO A1037 2.514 4.810 35.518 1.00 10.18 N +ATOM 281 CA PRO A1037 1.455 4.719 34.528 1.00 10.67 C +ATOM 282 C PRO A1037 1.852 5.406 33.222 1.00 9.99 C +ATOM 283 O PRO A1037 1.321 5.027 32.164 1.00 10.64 O +ATOM 284 CB PRO A1037 0.271 5.390 35.204 1.00 11.93 C +ATOM 285 CG PRO A1037 0.905 6.384 36.140 1.00 13.41 C +ATOM 286 CD PRO A1037 2.147 5.664 36.652 1.00 11.02 C +ATOM 287 N PHE A1038 2.699 6.407 33.269 1.00 9.72 N +ATOM 288 CA PHE A1038 3.131 7.086 32.054 1.00 9.77 C +ATOM 289 C PHE A1038 4.039 6.158 31.271 1.00 9.26 C +ATOM 290 O PHE A1038 3.913 6.053 30.049 1.00 10.11 O +ATOM 291 CB PHE A1038 3.805 8.412 32.380 1.00 11.05 C +ATOM 292 CG PHE A1038 2.891 9.358 33.128 1.00 11.46 C +ATOM 293 CD1 PHE A1038 2.025 10.174 32.431 1.00 12.95 C +ATOM 294 CD2 PHE A1038 2.918 9.410 34.553 1.00 12.36 C +ATOM 295 CE1 PHE A1038 1.180 11.068 33.108 1.00 15.67 C +ATOM 296 CE2 PHE A1038 2.070 10.284 35.207 1.00 15.22 C +ATOM 297 CZ PHE A1038 1.197 11.086 34.486 1.00 15.11 C +ATOM 298 N CYS A1039 4.941 5.438 31.946 1.00 9.15 N +ATOM 299 CA CYS A1039 5.782 4.473 31.288 1.00 9.18 C +ATOM 300 C CYS A1039 4.933 3.361 30.671 1.00 8.06 C +ATOM 301 O CYS A1039 5.205 2.917 29.545 1.00 8.66 O +ATOM 302 CB CYS A1039 6.799 3.886 32.253 1.00 8.88 C +ATOM 303 SG CYS A1039 8.060 5.053 32.834 1.00 9.68 S +ATOM 304 N ASN A1040 3.932 2.930 31.393 1.00 8.75 N +ATOM 305 CA ASN A1040 3.049 1.894 30.885 1.00 8.74 C +ATOM 306 C ASN A1040 2.308 2.391 29.654 1.00 8.44 C +ATOM 307 O ASN A1040 2.127 1.632 28.695 1.00 9.92 O +ATOM 308 CB ASN A1040 2.006 1.471 31.936 1.00 9.52 C +ATOM 309 CG ASN A1040 2.612 0.477 32.905 1.00 9.75 C +ATOM 310 OD1 ASN A1040 3.322 0.861 33.900 1.00 12.37 O +ATOM 311 ND2 ASN A1040 2.345 -0.764 32.661 1.00 8.86 N +ATOM 312 N ALA A1041 1.864 3.664 29.622 1.00 9.74 N +ATOM 313 CA ALA A1041 1.187 4.235 28.451 1.00 10.25 C +ATOM 314 C ALA A1041 2.120 4.339 27.282 1.00 9.92 C +ATOM 315 O ALA A1041 1.700 4.139 26.135 1.00 13.26 O +ATOM 316 CB ALA A1041 0.593 5.571 28.816 1.00 11.61 C +ATOM 317 N GLU A1042 3.359 4.678 27.476 1.00 9.51 N +ATOM 318 CA GLU A1042 4.340 4.801 26.398 1.00 9.79 C +ATOM 319 C GLU A1042 4.860 3.482 25.884 1.00 8.96 C +ATOM 320 O GLU A1042 5.255 3.417 24.698 1.00 10.23 O +ATOM 321 CB GLU A1042 5.557 5.597 26.890 1.00 10.17 C +ATOM 322 CG GLU A1042 5.230 7.075 27.094 1.00 10.65 C +ATOM 323 CD GLU A1042 6.411 7.882 27.539 1.00 10.42 C +ATOM 324 OE1 GLU A1042 7.464 7.328 27.857 1.00 13.54 O +ATOM 325 OE2 GLU A1042 6.240 9.148 27.552 1.00 12.57 O +ATOM 326 N ALA A1043 4.875 2.425 26.674 1.00 8.55 N +ATOM 327 CA ALA A1043 5.545 1.189 26.318 1.00 8.60 C +ATOM 328 C ALA A1043 5.045 0.612 24.982 1.00 8.75 C +ATOM 329 O ALA A1043 5.909 0.185 24.190 1.00 9.11 O +ATOM 330 CB ALA A1043 5.408 0.151 27.399 1.00 8.97 C +ATOM 331 N PRO A1044 3.754 0.564 24.665 1.00 9.14 N +ATOM 332 CA PRO A1044 3.360 0.032 23.343 1.00 9.96 C +ATOM 333 C PRO A1044 3.955 0.824 22.183 1.00 9.58 C +ATOM 334 O PRO A1044 4.301 0.289 21.143 1.00 10.16 O +ATOM 335 CB PRO A1044 1.828 0.148 23.363 1.00 11.26 C +ATOM 336 CG PRO A1044 1.441 0.157 24.825 1.00 12.55 C +ATOM 337 CD PRO A1044 2.586 0.879 25.509 1.00 10.00 C +ATOM 338 N SER A1045 4.075 2.162 22.387 1.00 10.03 N +ATOM 339 CA SER A1045 4.679 3.004 21.372 1.00 10.28 C +ATOM 340 C SER A1045 6.145 2.732 21.219 1.00 9.44 C +ATOM 341 O SER A1045 6.669 2.702 20.095 1.00 10.89 O +ATOM 342 CB SER A1045 4.460 4.481 21.747 1.00 12.78 C +ATOM 343 OG SER A1045 3.044 4.716 21.691 1.00 13.41 O +ATOM 344 N LEU A1046 6.895 2.561 22.302 1.00 9.32 N +ATOM 345 CA LEU A1046 8.321 2.126 22.219 1.00 9.55 C +ATOM 346 C LEU A1046 8.404 0.836 21.447 1.00 8.51 C +ATOM 347 O LEU A1046 9.259 0.687 20.571 1.00 9.23 O +ATOM 348 CB LEU A1046 8.958 1.891 23.600 1.00 10.79 C +ATOM 349 CG LEU A1046 9.595 3.075 24.312 1.00 10.49 C +ATOM 350 CD1 LEU A1046 10.845 3.599 23.564 1.00 12.14 C +ATOM 351 CD2 LEU A1046 8.618 4.214 24.549 1.00 11.57 C +ATOM 352 N SER A1047 7.520 -0.128 21.762 1.00 8.80 N +ATOM 353 CA SER A1047 7.638 -1.433 21.096 1.00 8.97 C +ATOM 354 C SER A1047 7.467 -1.310 19.591 1.00 8.61 C +ATOM 355 O SER A1047 8.258 -1.837 18.798 1.00 9.09 O +ATOM 356 CB SER A1047 6.504 -2.327 21.631 1.00 9.55 C +ATOM 357 OG SER A1047 6.585 -3.578 20.961 1.00 9.76 O +ATOM 358 N GLN A1048 6.474 -0.552 19.183 1.00 8.90 N +ATOM 359 CA GLN A1048 6.150 -0.392 17.748 1.00 8.94 C +ATOM 360 C GLN A1048 7.191 0.454 17.046 1.00 8.88 C +ATOM 361 O GLN A1048 7.635 0.126 15.947 1.00 10.84 O +ATOM 362 CB GLN A1048 4.752 0.239 17.632 1.00 10.14 C +ATOM 363 CG GLN A1048 3.628 -0.750 17.976 1.00 9.64 C +ATOM 364 CD GLN A1048 3.570 -1.888 16.999 1.00 10.52 C +ATOM 365 OE1 GLN A1048 3.714 -3.096 17.376 1.00 12.31 O +ATOM 366 NE2 GLN A1048 3.361 -1.584 15.737 1.00 9.49 N +ATOM 367 N VAL A1049 7.578 1.584 17.619 1.00 9.40 N +ATOM 368 CA VAL A1049 8.541 2.468 16.961 1.00 9.46 C +ATOM 369 C VAL A1049 9.908 1.799 16.854 1.00 9.34 C +ATOM 370 O VAL A1049 10.565 1.898 15.813 1.00 10.39 O +ATOM 371 CB VAL A1049 8.563 3.849 17.590 1.00 9.86 C +ATOM 372 CG1 VAL A1049 9.623 4.734 16.896 1.00 12.84 C +ATOM 373 CG2 VAL A1049 7.199 4.523 17.504 1.00 11.17 C +ATOM 374 N ALA A1050 10.342 1.079 17.874 1.00 8.54 N +ATOM 375 CA ALA A1050 11.627 0.366 17.817 1.00 8.88 C +ATOM 376 C ALA A1050 11.541 -0.656 16.685 1.00 9.10 C +ATOM 377 O ALA A1050 12.471 -0.805 15.894 1.00 10.75 O +ATOM 378 CB ALA A1050 11.955 -0.286 19.140 1.00 9.26 C +ATOM 379 N ALA A1051 10.426 -1.394 16.593 1.00 9.23 N +ATOM 380 CA ALA A1051 10.301 -2.462 15.594 1.00 9.67 C +ATOM 381 C ALA A1051 10.372 -1.880 14.195 1.00 9.37 C +ATOM 382 O ALA A1051 10.949 -2.481 13.286 1.00 11.59 O +ATOM 383 CB ALA A1051 9.027 -3.253 15.776 1.00 11.17 C +ATOM 384 N ALA A1052 9.761 -0.719 14.015 1.00 9.44 N +ATOM 385 CA ALA A1052 9.678 -0.072 12.696 1.00 11.22 C +ATOM 386 C ALA A1052 10.941 0.643 12.308 1.00 11.19 C +ATOM 387 O ALA A1052 11.017 1.071 11.144 1.00 13.76 O +ATOM 388 CB ALA A1052 8.465 0.882 12.666 1.00 12.08 C +ATOM 389 N ASN A1053 11.905 0.810 13.191 1.00 10.61 N +ATOM 390 CA ASN A1053 13.083 1.624 12.934 1.00 12.05 C +ATOM 391 C ASN A1053 14.335 0.849 13.332 1.00 13.10 C +ATOM 392 O ASN A1053 15.052 1.290 14.225 1.00 12.85 O +ATOM 393 CB ASN A1053 13.022 2.961 13.687 1.00 13.19 C +ATOM 394 CG ASN A1053 11.851 3.811 13.164 1.00 13.39 C +ATOM 395 OD1 ASN A1053 10.709 3.695 13.694 1.00 14.58 O +ATOM 396 ND2 ASN A1053 12.093 4.625 12.185 1.00 18.19 N +ATOM 397 N PRO A1054 14.606 -0.309 12.702 1.00 14.70 N +ATOM 398 CA PRO A1054 15.662 -1.207 13.178 1.00 15.40 C +ATOM 399 C PRO A1054 17.066 -0.639 13.096 1.00 16.30 C +ATOM 400 O PRO A1054 17.997 -1.117 13.783 1.00 21.49 O +ATOM 401 CB PRO A1054 15.523 -2.474 12.328 1.00 18.12 C +ATOM 402 CG PRO A1054 14.850 -1.943 11.096 1.00 20.86 C +ATOM 403 CD PRO A1054 13.840 -0.900 11.575 1.00 16.00 C +ATOM 404 N ALA A1055 17.274 0.393 12.252 1.00 17.34 N +ATOM 405 CA ALA A1055 18.624 0.945 12.209 1.00 17.11 C +ATOM 406 C ALA A1055 18.846 1.972 13.326 1.00 15.89 C +ATOM 407 O ALA A1055 19.976 2.517 13.394 1.00 18.61 O +ATOM 408 CB ALA A1055 18.847 1.467 10.818 1.00 22.00 C +ATOM 409 N VAL A1056 17.864 2.283 14.159 1.00 13.06 N +ATOM 410 CA VAL A1056 18.025 3.093 15.380 1.00 11.10 C +ATOM 411 C VAL A1056 18.077 2.079 16.529 1.00 9.70 C +ATOM 412 O VAL A1056 17.256 1.145 16.616 1.00 11.52 O +ATOM 413 CB VAL A1056 16.845 4.053 15.562 1.00 11.83 C +ATOM 414 CG1 VAL A1056 16.915 4.845 16.844 1.00 11.85 C +ATOM 415 CG2 VAL A1056 16.806 5.031 14.363 1.00 14.90 C +ATOM 416 N THR A1057 19.076 2.224 17.402 1.00 8.98 N +ATOM 417 CA THR A1057 19.240 1.278 18.497 1.00 9.82 C +ATOM 418 C THR A1057 18.586 1.824 19.783 1.00 8.51 C +ATOM 419 O THR A1057 18.944 2.890 20.242 1.00 9.75 O +ATOM 420 CB THR A1057 20.736 1.035 18.741 1.00 10.54 C +ATOM 421 OG1 THR A1057 21.315 0.567 17.493 1.00 11.86 O +ATOM 422 CG2 THR A1057 20.950 -0.049 19.779 1.00 11.58 C +ATOM 423 N PHE A1058 17.605 1.094 20.250 1.00 8.49 N +ATOM 424 CA PHE A1058 16.857 1.500 21.441 1.00 8.72 C +ATOM 425 C PHE A1058 17.404 0.747 22.643 1.00 8.66 C +ATOM 426 O PHE A1058 17.613 -0.466 22.595 1.00 9.54 O +ATOM 427 CB PHE A1058 15.358 1.128 21.299 1.00 9.07 C +ATOM 428 CG PHE A1058 14.601 2.041 20.346 1.00 9.84 C +ATOM 429 CD1 PHE A1058 14.849 1.974 18.970 1.00 10.91 C +ATOM 430 CD2 PHE A1058 13.664 2.937 20.837 1.00 12.20 C +ATOM 431 CE1 PHE A1058 14.145 2.812 18.107 1.00 11.93 C +ATOM 432 CE2 PHE A1058 12.941 3.775 19.983 1.00 15.54 C +ATOM 433 CZ PHE A1058 13.212 3.675 18.638 1.00 13.65 C +ATOM 434 N VAL A1059 17.585 1.481 23.757 1.00 8.62 N +ATOM 435 CA VAL A1059 17.999 0.887 25.011 1.00 8.17 C +ATOM 436 C VAL A1059 17.123 1.458 26.087 1.00 7.46 C +ATOM 437 O VAL A1059 17.104 2.650 26.346 1.00 8.85 O +ATOM 438 CB VAL A1059 19.473 1.164 25.304 1.00 8.80 C +ATOM 439 CG1 VAL A1059 19.907 0.533 26.630 1.00 10.24 C +ATOM 440 CG2 VAL A1059 20.344 0.666 24.148 1.00 10.77 C +ATOM 441 N GLY A1060 16.399 0.541 26.746 1.00 7.86 N +ATOM 442 CA GLY A1060 15.629 0.930 27.943 1.00 7.96 C +ATOM 443 C GLY A1060 16.525 0.807 29.170 1.00 7.81 C +ATOM 444 O GLY A1060 17.389 -0.074 29.230 1.00 8.57 O +ATOM 445 N ILE A1061 16.300 1.660 30.159 1.00 7.87 N +ATOM 446 CA ILE A1061 17.124 1.677 31.355 1.00 7.91 C +ATOM 447 C ILE A1061 16.132 1.773 32.525 1.00 7.48 C +ATOM 448 O ILE A1061 15.466 2.804 32.709 1.00 8.89 O +ATOM 449 CB ILE A1061 18.147 2.830 31.364 1.00 9.89 C +ATOM 450 CG1 ILE A1061 19.008 2.792 30.081 1.00 11.66 C +ATOM 451 CG2 ILE A1061 18.980 2.751 32.621 1.00 13.42 C +ATOM 452 CD1 ILE A1061 19.969 3.904 29.849 1.00 21.34 C +ATOM 453 N ALA A1062 16.013 0.678 33.272 1.00 7.78 N +ATOM 454 CA ALA A1062 14.987 0.604 34.328 1.00 8.28 C +ATOM 455 C ALA A1062 15.672 0.689 35.681 1.00 8.58 C +ATOM 456 O ALA A1062 16.810 0.239 35.891 1.00 8.93 O +ATOM 457 CB ALA A1062 14.254 -0.745 34.233 1.00 10.04 C +ATOM 458 N THR A1063 14.943 1.243 36.659 1.00 9.43 N +ATOM 459 CA THR A1063 15.452 1.264 38.036 1.00 9.43 C +ATOM 460 C THR A1063 14.227 1.290 38.980 1.00 9.76 C +ATOM 461 O THR A1063 13.080 1.348 38.559 1.00 10.81 O +ATOM 462 CB THR A1063 16.379 2.444 38.259 1.00 11.54 C +ATOM 463 OG1 THR A1063 17.094 2.257 39.535 1.00 12.82 O +ATOM 464 CG2 THR A1063 15.672 3.783 38.305 1.00 14.32 C +ATOM 465 N ARG A1064 14.534 1.222 40.257 1.00 10.67 N +ATOM 466 CA ARG A1064 13.512 1.333 41.344 1.00 11.32 C +ATOM 467 C ARG A1064 12.512 0.200 41.264 1.00 10.32 C +ATOM 468 O ARG A1064 11.332 0.395 41.607 1.00 10.93 O +ATOM 469 CB ARG A1064 12.832 2.688 41.338 1.00 11.64 C +ATOM 470 CG ARG A1064 13.807 3.797 41.770 1.00 18.32 C +ATOM 471 CD ARG A1064 12.982 4.991 42.058 1.00 21.86 C +ATOM 472 NE ARG A1064 12.356 5.022 43.311 1.00 20.22 N +ATOM 473 CZ ARG A1064 11.457 5.952 43.653 1.00 21.52 C +ATOM 474 NH1 ARG A1064 11.073 6.862 42.810 1.00 21.45 N +ATOM 475 NH2 ARG A1064 10.916 5.970 44.817 1.00 21.90 N +ATOM 476 N ALA A1065 12.956 -0.991 40.891 1.00 10.25 N +ATOM 477 CA ALA A1065 12.032 -2.134 40.883 1.00 10.52 C +ATOM 478 C ALA A1065 12.841 -3.416 40.918 1.00 10.73 C +ATOM 479 O ALA A1065 14.022 -3.419 40.531 1.00 11.95 O +ATOM 480 CB ALA A1065 11.115 -2.123 39.651 1.00 12.73 C +ATOM 481 N ASP A1066 12.191 -4.516 41.312 1.00 12.35 N +ATOM 482 CA ASP A1066 12.891 -5.786 41.231 1.00 13.97 C +ATOM 483 C ASP A1066 12.933 -6.279 39.788 1.00 11.47 C +ATOM 484 O ASP A1066 12.145 -5.880 38.911 1.00 11.36 O +ATOM 485 CB ASP A1066 12.229 -6.849 42.106 1.00 19.81 C +ATOM 486 CG ASP A1066 10.775 -6.980 41.748 1.00 25.12 C +ATOM 487 OD1 ASP A1066 10.416 -7.812 40.926 1.00 27.24 O +ATOM 488 OD2 ASP A1066 9.953 -6.182 42.255 1.00 38.81 O +ATOM 489 N VAL A1067 13.903 -7.168 39.538 1.00 12.28 N +ATOM 490 CA VAL A1067 14.131 -7.565 38.142 1.00 12.53 C +ATOM 491 C VAL A1067 12.940 -8.303 37.590 1.00 12.51 C +ATOM 492 O VAL A1067 12.608 -8.142 36.406 1.00 12.20 O +ATOM 493 CB VAL A1067 15.412 -8.404 38.036 1.00 17.25 C +ATOM 494 CG1 VAL A1067 15.696 -8.705 36.544 1.00 32.81 C +ATOM 495 CG2 VAL A1067 16.617 -7.750 38.611 1.00 23.99 C +ATOM 496 N GLY A1068 12.254 -9.125 38.360 1.00 13.67 N +ATOM 497 CA GLY A1068 11.083 -9.793 37.848 1.00 15.41 C +ATOM 498 C GLY A1068 10.005 -8.839 37.370 1.00 11.89 C +ATOM 499 O GLY A1068 9.323 -9.095 36.369 1.00 12.47 O +ATOM 500 N ALA A1069 9.816 -7.721 38.106 1.00 12.51 N +ATOM 501 CA ALA A1069 8.814 -6.720 37.719 1.00 11.35 C +ATOM 502 C ALA A1069 9.253 -6.038 36.432 1.00 9.62 C +ATOM 503 O ALA A1069 8.419 -5.727 35.549 1.00 10.03 O +ATOM 504 CB ALA A1069 8.610 -5.705 38.852 1.00 14.30 C +ATOM 505 N MET A1070 10.535 -5.785 36.327 1.00 9.39 N +ATOM 506 CA MET A1070 11.071 -5.218 35.062 1.00 8.37 C +ATOM 507 C MET A1070 10.807 -6.144 33.919 1.00 8.28 C +ATOM 508 O MET A1070 10.358 -5.744 32.841 1.00 8.42 O +ATOM 509 CB MET A1070 12.563 -4.913 35.195 1.00 8.96 C +ATOM 510 CG MET A1070 12.895 -3.846 36.233 1.00 9.52 C +ATOM 511 SD MET A1070 14.700 -3.767 36.435 1.00 9.91 S +ATOM 512 CE MET A1070 14.854 -2.360 37.508 1.00 10.32 C +ATOM 513 N GLN A1071 11.093 -7.434 34.129 1.00 8.76 N +ATOM 514 CA GLN A1071 10.892 -8.424 33.053 1.00 8.64 C +ATOM 515 C GLN A1071 9.420 -8.553 32.682 1.00 8.69 C +ATOM 516 O GLN A1071 9.070 -8.686 31.525 1.00 9.27 O +ATOM 517 CB GLN A1071 11.403 -9.793 33.529 1.00 10.05 C +ATOM 518 CG GLN A1071 12.916 -9.768 33.614 1.00 9.84 C +ATOM 519 CD GLN A1071 13.486 -11.062 34.154 1.00 9.76 C +ATOM 520 OE1 GLN A1071 12.784 -11.906 34.752 1.00 11.33 O +ATOM 521 NE2 GLN A1071 14.758 -11.268 33.913 1.00 12.21 N +ATOM 522 N SER A1072 8.511 -8.531 33.686 1.00 8.73 N +ATOM 523 CA SER A1072 7.089 -8.619 33.329 1.00 9.43 C +ATOM 524 C SER A1072 6.674 -7.494 32.434 1.00 8.77 C +ATOM 525 O SER A1072 5.808 -7.688 31.562 1.00 9.38 O +ATOM 526 CB SER A1072 6.273 -8.577 34.629 1.00 11.36 C +ATOM 527 OG SER A1072 6.406 -9.781 35.326 1.00 14.46 O +ATOM 528 N PHE A1073 7.196 -6.280 32.687 1.00 8.44 N +ATOM 529 CA PHE A1073 6.845 -5.121 31.878 1.00 8.13 C +ATOM 530 C PHE A1073 7.341 -5.265 30.431 1.00 7.64 C +ATOM 531 O PHE A1073 6.595 -5.060 29.489 1.00 8.77 O +ATOM 532 CB PHE A1073 7.449 -3.923 32.585 1.00 8.54 C +ATOM 533 CG PHE A1073 7.238 -2.586 31.959 1.00 8.30 C +ATOM 534 CD1 PHE A1073 8.090 -2.095 30.965 1.00 9.50 C +ATOM 535 CD2 PHE A1073 6.190 -1.737 32.368 1.00 8.90 C +ATOM 536 CE1 PHE A1073 7.915 -0.804 30.474 1.00 9.82 C +ATOM 537 CE2 PHE A1073 6.026 -0.464 31.841 1.00 9.34 C +ATOM 538 CZ PHE A1073 6.907 0.028 30.881 1.00 9.79 C +ATOM 539 N VAL A1074 8.609 -5.694 30.279 1.00 8.27 N +ATOM 540 CA VAL A1074 9.146 -5.919 28.954 1.00 8.60 C +ATOM 541 C VAL A1074 8.330 -6.965 28.221 1.00 8.96 C +ATOM 542 O VAL A1074 8.063 -6.808 27.002 1.00 9.36 O +ATOM 543 CB VAL A1074 10.643 -6.311 29.066 1.00 8.77 C +ATOM 544 CG1 VAL A1074 11.161 -6.934 27.782 1.00 10.10 C +ATOM 545 CG2 VAL A1074 11.509 -5.114 29.458 1.00 10.94 C +ATOM 546 N SER A1075 7.945 -8.026 28.927 1.00 8.56 N +ATOM 547 CA SER A1075 7.168 -9.110 28.281 1.00 9.25 C +ATOM 548 C SER A1075 5.791 -8.629 27.887 1.00 9.36 C +ATOM 549 O SER A1075 5.319 -8.903 26.793 1.00 10.99 O +ATOM 550 CB SER A1075 7.054 -10.304 29.207 1.00 11.19 C +ATOM 551 OG SER A1075 8.325 -10.906 29.381 1.00 11.99 O +ATOM 552 N LYS A1076 5.074 -7.953 28.793 1.00 9.58 N +ATOM 553 CA LYS A1076 3.722 -7.484 28.548 1.00 10.42 C +ATOM 554 C LYS A1076 3.626 -6.573 27.335 1.00 8.90 C +ATOM 555 O LYS A1076 2.667 -6.672 26.595 1.00 10.06 O +ATOM 556 CB LYS A1076 3.227 -6.746 29.803 1.00 12.95 C +ATOM 557 CG LYS A1076 1.848 -6.090 29.680 1.00 14.38 C +ATOM 558 CD LYS A1076 1.479 -5.489 31.037 1.00 18.39 C +ATOM 559 CE LYS A1076 0.093 -4.826 30.868 1.00 30.01 C +ATOM 560 NZ LYS A1076 -0.263 -4.218 32.161 1.00 48.54 N +ATOM 561 N TYR A1077 4.640 -5.699 27.170 1.00 8.59 N +ATOM 562 CA TYR A1077 4.604 -4.722 26.121 1.00 8.54 C +ATOM 563 C TYR A1077 5.487 -5.078 24.946 1.00 8.49 C +ATOM 564 O TYR A1077 5.579 -4.290 23.990 1.00 9.68 O +ATOM 565 CB TYR A1077 4.957 -3.318 26.660 1.00 9.38 C +ATOM 566 CG TYR A1077 3.960 -2.863 27.697 1.00 8.74 C +ATOM 567 CD1 TYR A1077 2.650 -2.595 27.327 1.00 9.59 C +ATOM 568 CD2 TYR A1077 4.308 -2.668 29.030 1.00 9.45 C +ATOM 569 CE1 TYR A1077 1.687 -2.152 28.234 1.00 11.47 C +ATOM 570 CE2 TYR A1077 3.359 -2.234 29.962 1.00 10.01 C +ATOM 571 CZ TYR A1077 2.079 -1.972 29.558 1.00 10.14 C +ATOM 572 OH TYR A1077 1.109 -1.568 30.451 1.00 11.60 O +ATOM 573 N ASN A1078 6.077 -6.258 24.964 1.00 8.56 N +ATOM 574 CA ASN A1078 6.873 -6.719 23.803 1.00 8.91 C +ATOM 575 C ASN A1078 7.954 -5.718 23.449 1.00 8.28 C +ATOM 576 O ASN A1078 8.122 -5.282 22.309 1.00 9.29 O +ATOM 577 CB ASN A1078 5.936 -6.947 22.607 1.00 11.80 C +ATOM 578 CG ASN A1078 6.579 -7.831 21.592 1.00 15.34 C +ATOM 579 OD1 ASN A1078 7.717 -8.292 21.763 1.00 22.61 O +ATOM 580 ND2 ASN A1078 5.876 -8.085 20.500 1.00 19.52 N +ATOM 581 N LEU A1079 8.766 -5.345 24.448 1.00 8.98 N +ATOM 582 CA LEU A1079 9.878 -4.393 24.218 1.00 9.16 C +ATOM 583 C LEU A1079 11.081 -5.156 23.720 1.00 9.87 C +ATOM 584 O LEU A1079 11.920 -5.618 24.480 1.00 10.66 O +ATOM 585 CB LEU A1079 10.201 -3.608 25.496 1.00 9.54 C +ATOM 586 CG LEU A1079 9.016 -2.856 26.086 1.00 10.15 C +ATOM 587 CD1 LEU A1079 9.428 -2.088 27.350 1.00 12.33 C +ATOM 588 CD2 LEU A1079 8.471 -1.846 25.112 1.00 14.31 C +ATOM 589 N ASN A1080 11.126 -5.334 22.381 1.00 10.01 N +ATOM 590 CA ASN A1080 12.162 -6.170 21.792 1.00 9.09 C +ATOM 591 C ASN A1080 13.422 -5.385 21.484 1.00 9.70 C +ATOM 592 O ASN A1080 13.818 -5.162 20.307 1.00 11.40 O +ATOM 593 CB ASN A1080 11.613 -6.810 20.501 1.00 10.69 C +ATOM 594 CG ASN A1080 12.596 -7.780 19.883 1.00 11.90 C +ATOM 595 OD1 ASN A1080 13.393 -8.393 20.587 1.00 15.71 O +ATOM 596 ND2 ASN A1080 12.530 -7.945 18.597 1.00 13.98 N +ATOM 597 N PHE A1081 14.087 -4.967 22.532 1.00 9.04 N +ATOM 598 CA PHE A1081 15.327 -4.244 22.471 1.00 9.46 C +ATOM 599 C PHE A1081 16.007 -4.399 23.826 1.00 9.05 C +ATOM 600 O PHE A1081 15.387 -4.867 24.789 1.00 9.57 O +ATOM 601 CB PHE A1081 15.151 -2.767 22.075 1.00 9.46 C +ATOM 602 CG PHE A1081 14.092 -2.020 22.846 1.00 9.49 C +ATOM 603 CD1 PHE A1081 14.398 -1.463 24.110 1.00 9.59 C +ATOM 604 CD2 PHE A1081 12.822 -1.819 22.346 1.00 9.72 C +ATOM 605 CE1 PHE A1081 13.435 -0.717 24.781 1.00 10.12 C +ATOM 606 CE2 PHE A1081 11.867 -1.061 23.002 1.00 10.75 C +ATOM 607 CZ PHE A1081 12.206 -0.516 24.237 1.00 10.11 C +ATOM 608 N THR A1082 17.273 -3.991 23.915 1.00 9.07 N +ATOM 609 CA THR A1082 18.007 -4.148 25.174 1.00 9.52 C +ATOM 610 C THR A1082 17.333 -3.326 26.273 1.00 7.62 C +ATOM 611 O THR A1082 17.025 -2.161 26.079 1.00 8.62 O +ATOM 612 CB THR A1082 19.442 -3.605 24.986 1.00 10.27 C +ATOM 613 OG1 THR A1082 20.086 -4.389 23.978 1.00 14.41 O +ATOM 614 CG2 THR A1082 20.223 -3.717 26.288 1.00 12.65 C +ATOM 615 N ASN A1083 17.162 -3.941 27.435 1.00 8.45 N +ATOM 616 CA ASN A1083 16.740 -3.216 28.649 1.00 8.36 C +ATOM 617 C ASN A1083 17.704 -3.535 29.751 1.00 8.26 C +ATOM 618 O ASN A1083 18.081 -4.679 30.000 1.00 9.53 O +ATOM 619 CB ASN A1083 15.294 -3.605 29.047 1.00 9.69 C +ATOM 620 CG ASN A1083 14.311 -2.933 28.126 1.00 8.50 C +ATOM 621 OD1 ASN A1083 13.944 -1.775 28.309 1.00 8.71 O +ATOM 622 ND2 ASN A1083 13.947 -3.672 27.099 1.00 9.93 N +ATOM 623 N LEU A1084 18.142 -2.480 30.438 1.00 8.81 N +ATOM 624 CA LEU A1084 19.191 -2.549 31.440 1.00 8.33 C +ATOM 625 C LEU A1084 18.584 -2.512 32.844 1.00 8.09 C +ATOM 626 O LEU A1084 17.685 -1.724 33.113 1.00 8.58 O +ATOM 627 CB LEU A1084 20.170 -1.360 31.309 1.00 9.53 C +ATOM 628 CG LEU A1084 20.819 -1.313 29.885 1.00 9.59 C +ATOM 629 CD1 LEU A1084 21.793 -0.152 29.807 1.00 10.96 C +ATOM 630 CD2 LEU A1084 21.527 -2.606 29.518 1.00 10.99 C +ATOM 631 N ASN A1085 19.101 -3.375 33.708 1.00 8.90 N +ATOM 632 CA ASN A1085 18.694 -3.347 35.114 1.00 9.84 C +ATOM 633 C ASN A1085 19.647 -2.396 35.833 1.00 9.45 C +ATOM 634 O ASN A1085 20.734 -2.833 36.254 1.00 10.16 O +ATOM 635 CB ASN A1085 18.813 -4.772 35.679 1.00 11.39 C +ATOM 636 CG ASN A1085 18.515 -4.800 37.172 1.00 12.21 C +ATOM 637 OD1 ASN A1085 18.049 -3.848 37.750 1.00 12.14 O +ATOM 638 ND2 ASN A1085 18.844 -5.920 37.783 1.00 16.53 N +ATOM 639 N ASP A1086 19.308 -1.126 35.911 1.00 9.95 N +ATOM 640 CA ASP A1086 20.197 -0.146 36.532 1.00 10.44 C +ATOM 641 C ASP A1086 19.857 -0.109 38.001 1.00 11.21 C +ATOM 642 O ASP A1086 19.275 0.838 38.535 1.00 11.32 O +ATOM 643 CB ASP A1086 19.977 1.222 35.895 1.00 11.49 C +ATOM 644 CG ASP A1086 20.946 2.285 36.393 1.00 11.54 C +ATOM 645 OD1 ASP A1086 22.074 1.972 36.752 1.00 14.71 O +ATOM 646 OD2 ASP A1086 20.568 3.466 36.404 1.00 15.81 O +ATOM 647 N ALA A1087 20.219 -1.200 38.686 1.00 13.68 N +ATOM 648 CA ALA A1087 19.648 -1.499 39.975 1.00 14.81 C +ATOM 649 C ALA A1087 19.953 -0.394 40.974 1.00 14.16 C +ATOM 650 O ALA A1087 19.149 -0.128 41.864 1.00 19.80 O +ATOM 651 CB ALA A1087 20.216 -2.835 40.486 1.00 18.25 C +ATOM 652 N ASP A1088 21.159 0.197 40.918 1.00 13.14 N +ATOM 653 CA ASP A1088 21.482 1.211 41.916 1.00 15.50 C +ATOM 654 C ASP A1088 21.390 2.620 41.347 1.00 13.00 C +ATOM 655 O ASP A1088 21.789 3.605 41.996 1.00 15.46 O +ATOM 656 CB ASP A1088 22.883 0.961 42.490 1.00 18.62 C +ATOM 657 CG ASP A1088 22.941 -0.364 43.237 1.00 20.65 C +ATOM 658 OD1 ASP A1088 21.953 -0.860 43.798 1.00 22.77 O +ATOM 659 OD2 ASP A1088 24.054 -0.930 43.244 1.00 25.35 O +ATOM 660 N GLY A1089 20.820 2.795 40.164 1.00 11.47 N +ATOM 661 CA GLY A1089 20.633 4.109 39.628 1.00 11.58 C +ATOM 662 C GLY A1089 21.858 4.811 39.153 1.00 10.91 C +ATOM 663 O GLY A1089 21.822 6.032 38.952 1.00 11.62 O +ATOM 664 N VAL A1090 22.959 4.106 38.943 1.00 11.12 N +ATOM 665 CA VAL A1090 24.186 4.759 38.511 1.00 11.11 C +ATOM 666 C VAL A1090 24.075 5.358 37.113 1.00 9.82 C +ATOM 667 O VAL A1090 24.558 6.454 36.869 1.00 10.78 O +ATOM 668 CB VAL A1090 25.350 3.754 38.644 1.00 13.00 C +ATOM 669 CG1 VAL A1090 26.636 4.222 37.956 1.00 15.42 C +ATOM 670 CG2 VAL A1090 25.647 3.455 40.128 1.00 15.83 C +ATOM 671 N ILE A1091 23.446 4.617 36.186 1.00 10.16 N +ATOM 672 CA ILE A1091 23.299 5.218 34.840 1.00 9.82 C +ATOM 673 C ILE A1091 22.285 6.329 34.867 1.00 8.73 C +ATOM 674 O ILE A1091 22.476 7.393 34.236 1.00 10.13 O +ATOM 675 CB ILE A1091 22.915 4.123 33.791 1.00 11.33 C +ATOM 676 CG1 ILE A1091 23.954 2.978 33.809 1.00 13.75 C +ATOM 677 CG2 ILE A1091 22.735 4.738 32.436 1.00 12.45 C +ATOM 678 CD1 ILE A1091 23.378 1.774 33.045 1.00 18.17 C +ATOM 679 N TRP A1092 21.198 6.179 35.618 1.00 9.61 N +ATOM 680 CA TRP A1092 20.209 7.238 35.747 1.00 10.01 C +ATOM 681 C TRP A1092 20.740 8.539 36.119 1.00 11.39 C +ATOM 682 O TRP A1092 20.654 9.654 35.777 1.00 10.90 O +ATOM 683 CB ATRP A1092 19.320 6.716 36.923 0.48 12.14 C +ATOM 684 CB BTRP A1092 19.105 6.928 36.701 0.52 11.41 C +ATOM 685 CG ATRP A1092 17.965 7.356 37.042 0.48 8.76 C +ATOM 686 CG BTRP A1092 18.102 6.036 36.101 0.52 9.78 C +ATOM 687 CD1ATRP A1092 17.238 7.927 36.047 0.48 10.46 C +ATOM 688 CD1BTRP A1092 18.293 4.800 35.570 0.52 10.59 C +ATOM 689 CD2ATRP A1092 17.159 7.495 38.216 0.48 9.17 C +ATOM 690 CD2BTRP A1092 16.702 6.326 35.976 0.52 10.27 C +ATOM 691 NE1ATRP A1092 16.042 8.421 36.507 0.48 8.52 N +ATOM 692 NE1BTRP A1092 17.180 4.290 35.143 0.52 8.77 N +ATOM 693 CE2ATRP A1092 15.978 8.157 37.840 0.48 9.25 C +ATOM 694 CE2BTRP A1092 16.155 5.180 35.363 0.52 9.63 C +ATOM 695 CE3ATRP A1092 17.344 7.113 39.547 0.48 8.77 C +ATOM 696 CE3BTRP A1092 15.824 7.367 36.286 0.52 12.92 C +ATOM 697 CZ2ATRP A1092 14.999 8.424 38.784 0.48 10.15 C +ATOM 698 CZ2BTRP A1092 14.833 4.860 34.982 0.52 7.50 C +ATOM 699 CZ3ATRP A1092 16.344 7.394 40.468 0.48 9.50 C +ATOM 700 CZ3BTRP A1092 14.486 7.156 35.955 0.52 12.74 C +ATOM 701 CH2ATRP A1092 15.174 8.053 40.076 0.48 12.00 C +ATOM 702 CH2BTRP A1092 14.078 5.971 35.350 0.52 13.15 C +ATOM 703 N ALA A1093 21.815 8.314 37.008 1.00 9.97 N +ATOM 704 CA ALA A1093 22.724 9.659 37.907 1.00 12.04 C +ATOM 705 C ALA A1093 23.506 10.184 36.750 1.00 11.11 C +ATOM 706 O ALA A1093 23.605 11.395 36.664 1.00 12.49 O +ATOM 707 CB ALA A1093 23.416 9.110 39.023 1.00 14.03 C +ATOM 708 N ARG A1094 24.105 9.369 35.885 1.00 12.57 N +ATOM 709 CA ARG A1094 25.022 9.843 34.854 1.00 13.52 C +ATOM 710 C ARG A1094 24.265 10.762 33.920 1.00 14.57 C +ATOM 711 O ARG A1094 24.836 11.706 33.384 1.00 16.13 O +ATOM 712 CB ARG A1094 25.700 8.617 34.212 1.00 16.74 C +ATOM 713 CG ARG A1094 26.658 8.961 33.082 1.00 23.42 C +ATOM 714 CD ARG A1094 27.060 7.555 32.589 1.00 33.78 C +ATOM 715 NE ARG A1094 28.267 7.209 33.303 1.00 47.16 N +ATOM 716 CZ ARG A1094 29.533 7.430 33.012 1.00 38.64 C +ATOM 717 NH1 ARG A1094 29.937 8.048 31.910 1.00 34.35 N +ATOM 718 NH2 ARG A1094 30.427 6.995 33.876 1.00 37.14 N +ATOM 719 N TYR A1095 22.975 10.456 33.704 1.00 13.98 N +ATOM 720 CA TYR A1095 22.171 11.187 32.794 1.00 18.08 C +ATOM 721 C TYR A1095 21.342 12.207 33.503 1.00 16.99 C +ATOM 722 O TYR A1095 20.527 12.762 32.756 1.00 27.85 O +ATOM 723 CB TYR A1095 21.225 10.223 31.980 1.00 19.64 C +ATOM 724 CG TYR A1095 22.071 9.705 30.826 1.00 19.28 C +ATOM 725 CD1 TYR A1095 22.089 10.451 29.639 1.00 22.99 C +ATOM 726 CD2 TYR A1095 22.842 8.563 30.955 1.00 19.44 C +ATOM 727 CE1 TYR A1095 22.837 10.047 28.553 1.00 21.55 C +ATOM 728 CE2 TYR A1095 23.626 8.147 29.873 1.00 19.80 C +ATOM 729 CZ TYR A1095 23.593 8.912 28.691 1.00 21.05 C +ATOM 730 OH TYR A1095 24.399 8.452 27.698 1.00 24.52 O +ATOM 731 N AASN A1096 21.687 12.428 34.776 0.55 14.02 N +ATOM 732 N BASN A1096 21.258 12.501 34.801 0.45 16.41 N +ATOM 733 CA AASN A1096 20.980 13.500 35.450 0.55 14.69 C +ATOM 734 CA BASN A1096 20.685 13.379 35.800 0.45 14.94 C +ATOM 735 C AASN A1096 19.470 13.407 35.190 0.55 10.61 C +ATOM 736 C BASN A1096 19.334 13.023 36.476 0.45 11.92 C +ATOM 737 O AASN A1096 18.807 14.387 34.867 0.55 13.08 O +ATOM 738 O BASN A1096 18.431 13.877 36.699 0.45 11.23 O +ATOM 739 CB AASN A1096 21.455 14.846 34.902 0.55 14.11 C +ATOM 740 CB BASN A1096 20.444 14.810 35.250 0.45 17.78 C +ATOM 741 CG AASN A1096 21.034 15.960 35.817 0.55 16.30 C +ATOM 742 CG BASN A1096 21.659 15.688 35.248 0.45 20.05 C +ATOM 743 OD1AASN A1096 20.822 15.744 37.008 0.55 14.20 O +ATOM 744 OD1BASN A1096 22.736 15.246 35.650 0.45 25.27 O +ATOM 745 ND2AASN A1096 20.939 17.179 35.324 0.55 16.30 N +ATOM 746 ND2BASN A1096 21.536 16.936 34.806 0.45 24.08 N +ATOM 747 N AVAL A1097 18.966 12.153 35.230 0.45 8.56 N +ATOM 748 N BVAL A1097 19.131 11.781 36.840 0.55 10.13 N +ATOM 749 CA AVAL A1097 17.546 11.932 35.000 0.45 9.84 C +ATOM 750 CA BVAL A1097 17.943 11.178 37.464 0.55 9.60 C +ATOM 751 C AVAL A1097 16.889 11.920 36.383 0.45 8.97 C +ATOM 752 C BVAL A1097 16.615 11.789 37.040 0.55 9.86 C +ATOM 753 O AVAL A1097 17.184 11.012 37.166 0.45 10.39 O +ATOM 754 O BVAL A1097 15.791 12.240 37.850 0.55 10.24 O +ATOM 755 CB AVAL A1097 17.255 10.648 34.230 0.45 12.13 C +ATOM 756 CB BVAL A1097 18.078 11.161 39.006 0.55 10.70 C +ATOM 757 CG1AVAL A1097 15.761 10.364 34.113 0.45 10.42 C +ATOM 758 CG1BVAL A1097 19.269 10.245 39.293 0.55 9.01 C +ATOM 759 CG2AVAL A1097 17.828 10.697 32.825 0.45 12.95 C +ATOM 760 CG2BVAL A1097 18.223 12.535 39.601 0.55 13.00 C +ATOM 761 N APRO A1098 16.072 12.916 36.664 0.53 10.87 N +ATOM 762 N BPRO A1098 16.356 11.729 35.725 0.47 8.42 N +ATOM 763 CA APRO A1098 15.378 12.996 37.958 0.53 13.27 C +ATOM 764 CA BPRO A1098 15.112 12.262 35.178 0.47 8.75 C +ATOM 765 C APRO A1098 14.263 12.091 37.518 0.53 24.15 C +ATOM 766 C BPRO A1098 13.914 11.452 35.677 0.47 9.32 C +ATOM 767 O APRO A1098 14.516 10.977 37.975 0.53 36.35 O +ATOM 768 O BPRO A1098 13.918 10.230 35.754 0.47 9.55 O +ATOM 769 CB APRO A1098 15.098 14.485 38.105 0.53 14.67 C +ATOM 770 CB BPRO A1098 15.254 12.120 33.664 0.47 9.38 C +ATOM 771 CG APRO A1098 14.630 14.783 36.716 0.53 16.06 C +ATOM 772 CG BPRO A1098 16.261 11.038 33.488 0.47 8.83 C +ATOM 773 CD APRO A1098 15.625 14.056 35.855 0.53 12.49 C +ATOM 774 CD BPRO A1098 17.215 11.186 34.642 0.47 9.75 C +ATOM 775 N ATRP A1099 13.155 11.788 37.005 0.50 18.30 N +ATOM 776 N BTRP A1099 12.839 12.150 35.981 0.50 9.10 N +ATOM 777 CA ATRP A1099 12.331 10.632 37.393 0.50 14.43 C +ATOM 778 CA BTRP A1099 11.612 11.510 36.451 0.50 9.22 C +ATOM 779 C ATRP A1099 11.956 10.148 36.013 0.50 11.49 C +ATOM 780 C BTRP A1099 11.024 10.656 35.309 0.50 12.23 C +ATOM 781 O ATRP A1099 12.524 10.794 35.122 0.50 8.77 O +ATOM 782 O BTRP A1099 10.755 11.282 34.292 0.50 13.24 O +ATOM 783 CB ATRP A1099 11.104 11.063 38.212 0.50 16.65 C +ATOM 784 CB BTRP A1099 10.571 12.523 36.916 0.50 10.97 C +ATOM 785 CG ATRP A1099 11.116 12.561 38.327 0.50 14.69 C +ATOM 786 CG BTRP A1099 9.610 11.996 37.953 0.50 9.09 C +ATOM 787 CD1ATRP A1099 11.338 13.408 39.257 0.50 15.31 C +ATOM 788 CD1BTRP A1099 9.394 10.753 38.442 0.50 10.51 C +ATOM 789 CD2ATRP A1099 10.836 13.606 37.390 0.50 13.75 C +ATOM 790 CD2BTRP A1099 8.693 12.848 38.636 0.50 9.86 C +ATOM 791 NE1ATRP A1099 11.385 14.664 39.381 0.50 12.54 N +ATOM 792 NE1BTRP A1099 8.374 10.835 39.405 0.50 12.70 N +ATOM 793 CE2ATRP A1099 10.997 14.835 38.038 0.50 12.63 C +ATOM 794 CE2BTRP A1099 7.921 12.076 39.564 0.50 13.43 C +ATOM 795 CE3ATRP A1099 10.452 13.547 36.059 0.50 14.48 C +ATOM 796 CE3BTRP A1099 8.454 14.234 38.568 0.50 11.81 C +ATOM 797 CZ2ATRP A1099 10.806 16.057 37.409 0.50 15.19 C +ATOM 798 CZ2BTRP A1099 7.035 12.865 40.215 0.50 16.54 C +ATOM 799 CZ3ATRP A1099 10.257 14.757 35.400 0.50 18.04 C +ATOM 800 CZ3BTRP A1099 7.537 14.933 39.292 0.50 21.81 C +ATOM 801 CH2ATRP A1099 10.434 15.956 36.085 0.50 16.66 C +ATOM 802 CH2BTRP A1099 6.793 14.164 40.185 0.50 21.93 C +ATOM 803 N GLN A1100 11.006 9.317 35.658 1.00 15.00 N +ATOM 804 CA GLN A1100 10.586 8.546 34.532 1.00 12.15 C +ATOM 805 C GLN A1100 9.222 9.016 34.083 1.00 14.42 C +ATOM 806 O GLN A1100 8.483 9.533 34.920 1.00 17.95 O +ATOM 807 CB AGLN A1100 10.429 7.117 35.051 0.54 8.06 C +ATOM 808 CB BGLN A1100 10.629 7.037 34.683 0.46 8.85 C +ATOM 809 CG AGLN A1100 9.053 6.748 35.645 0.54 8.35 C +ATOM 810 CG BGLN A1100 12.072 6.719 34.976 0.46 10.12 C +ATOM 811 CD AGLN A1100 8.822 7.345 37.031 0.54 9.87 C +ATOM 812 CD BGLN A1100 12.430 6.813 36.396 0.46 8.75 C +ATOM 813 OE1AGLN A1100 7.648 7.710 37.233 0.54 8.80 O +ATOM 814 OE1BGLN A1100 11.757 7.542 37.172 0.46 8.88 O +ATOM 815 NE2AGLN A1100 9.815 7.497 37.876 0.54 8.23 N +ATOM 816 NE2BGLN A1100 13.503 6.142 36.756 0.46 10.14 N +ATOM 817 N PRO A1101 8.887 8.822 32.839 1.00 16.69 N +ATOM 818 CA PRO A1101 9.778 8.375 31.761 1.00 15.49 C +ATOM 819 C PRO A1101 10.608 9.534 31.216 1.00 18.04 C +ATOM 820 O PRO A1101 10.256 10.709 31.240 1.00 26.33 O +ATOM 821 CB PRO A1101 8.767 7.927 30.703 1.00 17.65 C +ATOM 822 CG PRO A1101 7.480 8.675 30.941 1.00 23.15 C +ATOM 823 CD PRO A1101 7.493 9.109 32.375 1.00 23.03 C +ATOM 824 N ALA A1102 11.780 9.170 30.670 1.00 14.03 N +ATOM 825 CA ALA A1102 12.628 10.177 30.030 1.00 13.52 C +ATOM 826 C ALA A1102 13.235 9.538 28.796 1.00 10.19 C +ATOM 827 O ALA A1102 13.544 8.364 28.806 1.00 9.17 O +ATOM 828 CB ALA A1102 13.749 10.676 30.920 1.00 19.24 C +ATOM 829 N PHE A1103 13.406 10.333 27.746 1.00 10.81 N +ATOM 830 CA PHE A1103 14.040 9.926 26.506 1.00 9.48 C +ATOM 831 C PHE A1103 15.296 10.747 26.238 1.00 9.85 C +ATOM 832 O PHE A1103 15.256 11.965 26.445 1.00 11.16 O +ATOM 833 CB PHE A1103 13.108 10.146 25.332 1.00 10.28 C +ATOM 834 CG PHE A1103 11.839 9.340 25.282 1.00 12.10 C +ATOM 835 CD1 PHE A1103 10.726 9.779 26.017 1.00 17.11 C +ATOM 836 CD2 PHE A1103 11.770 8.216 24.507 1.00 12.82 C +ATOM 837 CE1 PHE A1103 9.552 9.065 25.935 1.00 20.14 C +ATOM 838 CE2 PHE A1103 10.583 7.488 24.423 1.00 15.23 C +ATOM 839 CZ PHE A1103 9.510 7.940 25.142 1.00 17.88 C +ATOM 840 N VAL A1104 16.312 10.085 25.712 1.00 9.38 N +ATOM 841 CA VAL A1104 17.443 10.758 25.098 1.00 10.45 C +ATOM 842 C VAL A1104 17.524 10.262 23.678 1.00 9.30 C +ATOM 843 O VAL A1104 17.720 9.089 23.438 1.00 10.10 O +ATOM 844 CB VAL A1104 18.751 10.549 25.855 1.00 11.26 C +ATOM 845 CG1 VAL A1104 19.865 11.345 25.211 1.00 14.23 C +ATOM 846 CG2 VAL A1104 18.663 10.912 27.376 1.00 13.30 C +ATOM 847 N PHE A1105 17.436 11.214 22.723 1.00 10.18 N +ATOM 848 CA PHE A1105 17.446 10.916 21.297 1.00 10.74 C +ATOM 849 C PHE A1105 18.816 11.274 20.749 1.00 10.41 C +ATOM 850 O PHE A1105 19.140 12.490 20.670 1.00 12.45 O +ATOM 851 CB PHE A1105 16.350 11.738 20.624 1.00 11.31 C +ATOM 852 CG PHE A1105 14.955 11.308 20.984 1.00 11.08 C +ATOM 853 CD1 PHE A1105 14.357 10.222 20.382 1.00 11.86 C +ATOM 854 CD2 PHE A1105 14.268 12.017 21.980 1.00 11.36 C +ATOM 855 CE1 PHE A1105 13.107 9.818 20.732 1.00 12.46 C +ATOM 856 CE2 PHE A1105 12.986 11.629 22.345 1.00 12.83 C +ATOM 857 CZ PHE A1105 12.422 10.530 21.716 1.00 12.53 C +ATOM 858 N TYR A1106 19.636 10.298 20.390 1.00 11.14 N +ATOM 859 CA TYR A1106 20.995 10.536 19.897 1.00 11.30 C +ATOM 860 C TYR A1106 21.079 10.383 18.390 1.00 11.12 C +ATOM 861 O TYR A1106 20.614 9.418 17.796 1.00 10.48 O +ATOM 862 CB TYR A1106 21.897 9.465 20.419 1.00 11.67 C +ATOM 863 CG TYR A1106 22.476 9.668 21.820 1.00 13.14 C +ATOM 864 CD1 TYR A1106 23.485 10.585 22.001 1.00 15.87 C +ATOM 865 CD2 TYR A1106 21.997 8.970 22.888 1.00 15.52 C +ATOM 866 CE1 TYR A1106 24.014 10.779 23.243 1.00 19.03 C +ATOM 867 CE2 TYR A1106 22.552 9.151 24.164 1.00 16.64 C +ATOM 868 CZ TYR A1106 23.551 10.062 24.325 1.00 19.31 C +ATOM 869 OH TYR A1106 24.091 10.245 25.581 1.00 26.37 O +ATOM 870 N ARG A1107 21.699 11.393 17.788 1.00 12.71 N +ATOM 871 CA ARG A1107 22.163 11.281 16.422 1.00 14.45 C +ATOM 872 C ARG A1107 23.513 10.559 16.400 1.00 14.13 C +ATOM 873 O ARG A1107 24.215 10.486 17.408 1.00 16.20 O +ATOM 874 CB ARG A1107 22.343 12.657 15.766 1.00 15.48 C +ATOM 875 CG ARG A1107 20.994 13.393 15.631 1.00 20.96 C +ATOM 876 CD ARG A1107 21.289 14.690 14.856 1.00 26.89 C +ATOM 877 NE ARG A1107 21.679 14.440 13.478 1.00 32.24 N +ATOM 878 CZ ARG A1107 20.816 14.354 12.468 1.00 32.52 C +ATOM 879 NH1 ARG A1107 19.512 14.501 12.706 1.00 44.51 N +ATOM 880 NH2 ARG A1107 21.274 14.126 11.250 1.00 54.92 N +ATOM 881 N ALA A1108 23.885 10.043 15.203 1.00 16.11 N +ATOM 882 CA ALA A1108 25.170 9.359 15.050 1.00 16.60 C +ATOM 883 C ALA A1108 26.333 10.281 15.361 1.00 20.76 C +ATOM 884 O ALA A1108 27.384 9.826 15.781 1.00 25.32 O +ATOM 885 CB ALA A1108 25.284 8.829 13.603 1.00 17.63 C +ATOM 886 N ASP A1109 26.140 11.599 15.191 1.00 23.19 N +ATOM 887 CA ASP A1109 27.251 12.525 15.475 1.00 27.64 C +ATOM 888 C ASP A1109 27.415 12.848 16.953 1.00 27.56 C +ATOM 889 O ASP A1109 28.296 13.617 17.289 1.00 34.20 O +ATOM 890 CB ASP A1109 27.057 13.813 14.697 1.00 32.49 C +ATOM 891 CG ASP A1109 25.909 14.664 15.192 1.00 30.11 C +ATOM 892 OD1 ASP A1109 25.212 14.361 16.155 1.00 25.45 O +ATOM 893 OD2 ASP A1109 25.742 15.736 14.565 1.00 39.22 O +ATOM 894 N GLY A1110 26.606 12.234 17.801 1.00 26.03 N +ATOM 895 CA GLY A1110 26.840 12.404 19.219 1.00 26.62 C +ATOM 896 C GLY A1110 25.968 13.437 19.883 1.00 23.25 C +ATOM 897 O GLY A1110 25.915 13.431 21.115 1.00 25.33 O +ATOM 898 N THR A1111 25.346 14.283 19.080 1.00 23.33 N +ATOM 899 CA THR A1111 24.422 15.252 19.671 1.00 21.80 C +ATOM 900 C THR A1111 23.119 14.561 20.067 1.00 18.04 C +ATOM 901 O THR A1111 22.802 13.480 19.548 1.00 16.93 O +ATOM 902 CB THR A1111 24.165 16.436 18.726 1.00 23.33 C +ATOM 903 OG1 THR A1111 23.453 15.935 17.587 1.00 24.36 O +ATOM 904 CG2 THR A1111 25.441 17.129 18.225 1.00 28.59 C +ATOM 905 N SER A1112 22.429 15.163 21.015 1.00 19.02 N +ATOM 906 CA SER A1112 21.208 14.569 21.557 1.00 15.52 C +ATOM 907 C SER A1112 20.200 15.650 21.955 1.00 16.63 C +ATOM 908 O SER A1112 20.498 16.820 22.120 1.00 21.56 O +ATOM 909 CB SER A1112 21.554 13.649 22.721 1.00 17.53 C +ATOM 910 OG SER A1112 22.123 14.298 23.813 1.00 21.03 O +ATOM 911 N THR A1113 18.984 15.192 22.116 1.00 14.15 N +ATOM 912 CA THR A1113 17.876 15.935 22.658 1.00 15.35 C +ATOM 913 C THR A1113 17.169 15.073 23.666 1.00 12.72 C +ATOM 914 O THR A1113 17.044 13.875 23.485 1.00 17.54 O +ATOM 915 CB THR A1113 16.894 16.359 21.580 1.00 17.73 C +ATOM 916 OG1 THR A1113 16.529 15.215 20.834 1.00 31.28 O +ATOM 917 CG2 THR A1113 17.614 17.227 20.579 1.00 22.39 C +ATOM 918 N PHE A1114 16.711 15.671 24.733 1.00 10.54 N +ATOM 919 CA PHE A1114 15.990 14.957 25.766 1.00 11.27 C +ATOM 920 C PHE A1114 14.553 15.389 25.869 1.00 10.64 C +ATOM 921 O PHE A1114 14.197 16.557 25.580 1.00 11.25 O +ATOM 922 CB APHE A1114 16.833 14.786 27.014 0.45 12.98 C +ATOM 923 CB BPHE A1114 16.614 15.653 27.044 0.55 11.26 C +ATOM 924 CG APHE A1114 16.784 15.900 28.008 0.45 12.98 C +ATOM 925 CG BPHE A1114 15.988 15.188 28.330 0.55 12.31 C +ATOM 926 CD1APHE A1114 15.725 15.986 28.882 0.45 14.31 C +ATOM 927 CD1BPHE A1114 16.271 13.934 28.873 0.55 12.99 C +ATOM 928 CD2APHE A1114 17.813 16.805 28.085 0.45 11.93 C +ATOM 929 CD2BPHE A1114 15.079 15.945 29.049 0.55 16.42 C +ATOM 930 CE1APHE A1114 15.719 17.056 29.764 0.45 17.05 C +ATOM 931 CE1BPHE A1114 15.673 13.521 30.041 0.55 15.27 C +ATOM 932 CE2APHE A1114 17.857 17.917 28.960 0.45 10.07 C +ATOM 933 CE2BPHE A1114 14.486 15.541 30.223 0.55 16.27 C +ATOM 934 CZ APHE A1114 16.831 17.889 29.856 0.45 14.94 C +ATOM 935 CZ BPHE A1114 14.769 14.284 30.755 0.55 16.67 C +ATOM 936 N VAL A1115 13.688 14.452 26.312 1.00 11.53 N +ATOM 937 CA VAL A1115 12.333 14.747 26.661 1.00 14.55 C +ATOM 938 C VAL A1115 12.165 14.152 28.072 1.00 19.44 C +ATOM 939 O VAL A1115 12.414 12.961 28.253 1.00 26.54 O +ATOM 940 CB VAL A1115 11.325 14.194 25.642 1.00 18.45 C +ATOM 941 CG1 VAL A1115 9.899 14.436 26.046 1.00 30.12 C +ATOM 942 CG2 VAL A1115 11.656 14.817 24.268 1.00 18.39 C +ATOM 943 N ASN A1116 11.777 14.866 29.111 1.00 17.32 N +ATOM 944 CA ASN A1116 11.583 14.382 30.517 1.00 14.88 C +ATOM 945 C ASN A1116 10.396 15.123 31.078 1.00 16.23 C +ATOM 946 O ASN A1116 10.531 15.970 31.949 1.00 19.20 O +ATOM 947 CB ASN A1116 12.843 14.566 31.384 1.00 20.54 C +ATOM 948 CG ASN A1116 12.682 13.989 32.797 1.00 21.89 C +ATOM 949 OD1 ASN A1116 11.904 13.050 33.024 1.00 26.42 O +ATOM 950 ND2 ASN A1116 13.438 14.566 33.741 1.00 21.04 N +ATOM 951 N ASN A1117 9.217 14.806 30.572 1.00 21.59 N +ATOM 952 CA ASN A1117 7.966 15.429 30.941 1.00 17.22 C +ATOM 953 C ASN A1117 7.125 14.656 31.899 1.00 20.87 C +ATOM 954 O ASN A1117 6.645 13.569 31.550 1.00 21.66 O +ATOM 955 CB ASN A1117 7.307 15.464 29.546 1.00 20.84 C +ATOM 956 CG ASN A1117 5.952 16.077 29.753 1.00 20.47 C +ATOM 957 OD1 ASN A1117 5.499 16.616 30.756 1.00 24.82 O +ATOM 958 ND2 ASN A1117 5.187 16.123 28.671 1.00 24.72 N +ATOM 959 N PRO A1118 6.891 15.224 33.076 1.00 25.53 N +ATOM 960 CA PRO A1118 6.123 14.511 34.068 1.00 26.28 C +ATOM 961 C PRO A1118 4.611 14.556 33.855 1.00 27.08 C +ATOM 962 O PRO A1118 3.832 13.879 34.541 1.00 25.88 O +ATOM 963 CB PRO A1118 6.551 15.244 35.335 1.00 31.00 C +ATOM 964 CG PRO A1118 6.889 16.644 34.939 1.00 28.91 C +ATOM 965 CD PRO A1118 7.400 16.549 33.495 1.00 27.58 C +ATOM 966 N THR A1119 4.064 15.283 32.881 1.00 26.37 N +ATOM 967 CA THR A1119 2.622 15.484 32.908 1.00 26.29 C +ATOM 968 C THR A1119 1.852 14.570 31.972 1.00 24.30 C +ATOM 969 O THR A1119 0.636 14.454 32.101 1.00 22.60 O +ATOM 970 CB THR A1119 2.278 16.967 32.604 1.00 29.52 C +ATOM 971 OG1 THR A1119 2.603 17.243 31.253 1.00 29.51 O +ATOM 972 CG2 THR A1119 3.098 17.919 33.470 1.00 35.43 C +ATOM 973 N ALA A1120 2.529 13.924 31.026 1.00 22.29 N +ATOM 974 CA ALA A1120 1.839 13.201 29.999 1.00 19.98 C +ATOM 975 C ALA A1120 2.732 12.177 29.322 1.00 18.83 C +ATOM 976 O ALA A1120 3.928 12.364 29.298 1.00 31.92 O +ATOM 977 CB ALA A1120 1.291 14.156 28.937 1.00 24.27 C +ATOM 978 N ALA A1121 2.138 11.138 28.775 1.00 16.41 N +ATOM 979 CA ALA A1121 2.919 10.180 27.964 1.00 15.83 C +ATOM 980 C ALA A1121 3.136 10.742 26.573 1.00 14.00 C +ATOM 981 O ALA A1121 2.221 11.333 25.993 1.00 17.77 O +ATOM 982 CB ALA A1121 2.126 8.884 27.943 1.00 15.58 C +ATOM 983 N MET A1122 4.323 10.492 26.043 1.00 13.80 N +ATOM 984 CA MET A1122 4.563 10.825 24.640 1.00 13.96 C +ATOM 985 C MET A1122 3.723 9.938 23.734 1.00 14.37 C +ATOM 986 O MET A1122 3.674 8.732 23.929 1.00 15.07 O +ATOM 987 CB MET A1122 6.032 10.619 24.326 1.00 14.54 C +ATOM 988 CG MET A1122 6.394 11.163 22.926 1.00 13.73 C +ATOM 989 SD MET A1122 8.139 10.851 22.504 1.00 13.90 S +ATOM 990 CE MET A1122 8.927 11.945 23.632 1.00 15.05 C +ATOM 991 N SER A1123 3.105 10.546 22.702 1.00 14.68 N +ATOM 992 CA SER A1123 2.286 9.756 21.763 1.00 15.08 C +ATOM 993 C SER A1123 3.232 9.012 20.826 1.00 14.46 C +ATOM 994 O SER A1123 4.383 9.359 20.575 1.00 13.73 O +ATOM 995 CB SER A1123 1.388 10.655 20.923 1.00 16.76 C +ATOM 996 OG SER A1123 2.204 11.471 20.013 1.00 19.07 O +ATOM 997 N GLN A1124 2.630 7.979 20.186 1.00 14.72 N +ATOM 998 CA GLN A1124 3.396 7.270 19.153 1.00 13.79 C +ATOM 999 C GLN A1124 3.768 8.146 17.981 1.00 13.32 C +ATOM 1000 O GLN A1124 4.880 8.057 17.463 1.00 14.52 O +ATOM 1001 CB GLN A1124 2.611 6.034 18.666 1.00 14.58 C +ATOM 1002 CG GLN A1124 3.512 5.169 17.759 1.00 15.57 C +ATOM 1003 CD GLN A1124 2.829 3.945 17.230 1.00 18.49 C +ATOM 1004 OE1 GLN A1124 3.268 3.294 16.269 1.00 20.11 O +ATOM 1005 NE2 GLN A1124 1.715 3.563 17.810 1.00 25.80 N +ATOM 1006 N ASP A1125 2.824 8.981 17.543 1.00 15.39 N +ATOM 1007 CA ASP A1125 3.125 9.866 16.428 1.00 17.00 C +ATOM 1008 C ASP A1125 4.298 10.774 16.767 1.00 15.06 C +ATOM 1009 O ASP A1125 5.179 11.002 15.947 1.00 16.72 O +ATOM 1010 CB ASP A1125 1.898 10.710 16.073 1.00 23.75 C +ATOM 1011 CG ASP A1125 0.919 9.984 15.173 1.00 32.10 C +ATOM 1012 OD1 ASP A1125 0.977 8.761 14.937 1.00 31.29 O +ATOM 1013 OD2 ASP A1125 0.009 10.686 14.662 1.00 43.51 O +ATOM 1014 N GLU A1126 4.279 11.295 18.020 1.00 15.42 N +ATOM 1015 CA GLU A1126 5.397 12.169 18.351 1.00 15.08 C +ATOM 1016 C GLU A1126 6.724 11.405 18.379 1.00 13.34 C +ATOM 1017 O GLU A1126 7.733 11.845 17.880 1.00 15.61 O +ATOM 1018 CB GLU A1126 5.193 12.901 19.677 1.00 16.19 C +ATOM 1019 CG GLU A1126 6.391 13.761 20.063 1.00 16.75 C +ATOM 1020 CD GLU A1126 6.184 14.561 21.352 1.00 20.12 C +ATOM 1021 OE1 GLU A1126 5.043 14.930 21.701 1.00 21.56 O +ATOM 1022 OE2 GLU A1126 7.222 14.778 22.026 1.00 19.31 O +ATOM 1023 N LEU A1127 6.706 10.219 19.011 1.00 12.72 N +ATOM 1024 CA LEU A1127 7.912 9.389 19.096 1.00 12.46 C +ATOM 1025 C LEU A1127 8.427 8.985 17.719 1.00 11.80 C +ATOM 1026 O LEU A1127 9.638 9.088 17.474 1.00 12.72 O +ATOM 1027 CB LEU A1127 7.584 8.147 19.941 1.00 11.62 C +ATOM 1028 CG LEU A1127 8.750 7.155 20.096 1.00 10.42 C +ATOM 1029 CD1 LEU A1127 9.955 7.779 20.751 1.00 11.61 C +ATOM 1030 CD2 LEU A1127 8.280 5.924 20.876 1.00 13.25 C +ATOM 1031 N SER A1128 7.533 8.575 16.845 1.00 13.18 N +ATOM 1032 CA SER A1128 7.934 8.200 15.490 1.00 14.25 C +ATOM 1033 C SER A1128 8.636 9.359 14.795 1.00 16.60 C +ATOM 1034 O SER A1128 9.664 9.181 14.128 1.00 17.02 O +ATOM 1035 CB SER A1128 6.660 7.719 14.761 1.00 18.36 C +ATOM 1036 OG SER A1128 6.990 7.431 13.447 1.00 25.48 O +ATOM 1037 N GLY A1129 8.089 10.594 14.935 1.00 16.61 N +ATOM 1038 CA GLY A1129 8.724 11.728 14.282 1.00 18.26 C +ATOM 1039 C GLY A1129 10.087 12.044 14.915 1.00 18.40 C +ATOM 1040 O GLY A1129 11.009 12.353 14.153 1.00 18.27 O +ATOM 1041 N ARG A1130 10.204 11.951 16.232 1.00 15.36 N +ATOM 1042 CA ARG A1130 11.545 12.237 16.819 1.00 15.31 C +ATOM 1043 C ARG A1130 12.571 11.208 16.349 1.00 14.64 C +ATOM 1044 O ARG A1130 13.742 11.513 16.079 1.00 18.09 O +ATOM 1045 CB ARG A1130 11.456 12.291 18.345 1.00 15.24 C +ATOM 1046 CG ARG A1130 10.579 13.476 18.836 1.00 16.56 C +ATOM 1047 CD ARG A1130 10.475 13.394 20.350 1.00 16.24 C +ATOM 1048 NE ARG A1130 9.792 14.506 20.957 1.00 17.07 N +ATOM 1049 CZ ARG A1130 10.298 15.721 21.189 1.00 19.18 C +ATOM 1050 NH1 ARG A1130 11.531 16.078 20.896 1.00 23.65 N +ATOM 1051 NH2 ARG A1130 9.482 16.609 21.775 1.00 25.71 N +ATOM 1052 N VAL A1131 12.116 9.953 16.240 1.00 14.01 N +ATOM 1053 CA VAL A1131 13.065 8.898 15.794 1.00 13.94 C +ATOM 1054 C VAL A1131 13.435 9.081 14.321 1.00 15.35 C +ATOM 1055 O VAL A1131 14.631 8.963 13.974 1.00 16.84 O +ATOM 1056 CB VAL A1131 12.423 7.535 16.090 1.00 14.38 C +ATOM 1057 CG1 VAL A1131 13.190 6.417 15.398 1.00 14.40 C +ATOM 1058 CG2 VAL A1131 12.383 7.322 17.606 1.00 12.59 C +ATOM 1059 N ALA A1132 12.453 9.413 13.470 1.00 17.73 N +ATOM 1060 CA ALA A1132 12.782 9.689 12.067 1.00 19.73 C +ATOM 1061 C ALA A1132 13.785 10.817 11.959 1.00 18.66 C +ATOM 1062 O ALA A1132 14.616 10.832 11.019 1.00 22.16 O +ATOM 1063 CB ALA A1132 11.490 10.055 11.356 1.00 24.79 C +ATOM 1064 N ALA A1133 13.719 11.822 12.836 1.00 20.38 N +ATOM 1065 CA ALA A1133 14.597 12.992 12.692 1.00 22.45 C +ATOM 1066 C ALA A1133 16.052 12.611 12.920 1.00 21.36 C +ATOM 1067 O ALA A1133 16.936 13.315 12.474 1.00 28.55 O +ATOM 1068 CB ALA A1133 14.259 14.145 13.673 1.00 23.76 C +ATOM 1069 N LEU A1134 16.304 11.513 13.618 1.00 18.53 N +ATOM 1070 CA LEU A1134 17.713 11.088 13.801 1.00 20.43 C +ATOM 1071 C LEU A1134 18.240 10.745 12.371 1.00 23.72 C +ATOM 1072 O LEU A1134 19.627 10.962 12.888 1.00 22.37 O +ATOM 1073 CB LEU A1134 17.756 10.016 14.854 1.00 16.81 C +ATOM 1074 CG LEU A1134 17.061 10.226 16.196 1.00 15.86 C +ATOM 1075 CD1 LEU A1134 17.098 8.980 17.078 1.00 17.16 C +ATOM 1076 CD2 LEU A1134 17.726 11.395 16.931 1.00 17.48 C +TER 1077 LEU A1134 +END diff --git a/bench/main_benchmark/structures/SFB_FS_MPT53_1LU4A_3EMXA/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_MPT53_1LU4A_3EMXA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b267b8f64051d027829eef4b7cb6656d3b2ac605 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_MPT53_1LU4A_3EMXA/state_b.pdb @@ -0,0 +1,973 @@ +ATOM 1 N SER A 224 3.155 10.117 59.894 1.00 23.36 N +ATOM 2 CA SER A 224 2.342 8.920 59.574 1.00 23.78 C +ATOM 3 C SER A 224 0.891 9.186 59.952 1.00 23.24 C +ATOM 4 O SER A 224 0.611 9.854 60.937 1.00 23.31 O +ATOM 5 CB SER A 224 2.890 7.697 60.323 1.00 23.69 C +ATOM 6 OG SER A 224 1.885 6.712 60.537 1.00 25.94 O +ATOM 7 N LEU A 225 -0.036 8.664 59.167 1.00 22.92 N +ATOM 8 CA LEU A 225 -1.443 8.825 59.488 1.00 22.38 C +ATOM 9 C LEU A 225 -1.761 8.267 60.895 1.00 22.88 C +ATOM 10 O LEU A 225 -2.650 8.759 61.601 1.00 22.05 O +ATOM 11 CB LEU A 225 -2.295 8.137 58.430 1.00 21.75 C +ATOM 12 CG LEU A 225 -3.789 8.250 58.690 1.00 20.65 C +ATOM 13 CD1 LEU A 225 -4.208 9.706 58.592 1.00 19.99 C +ATOM 14 CD2 LEU A 225 -4.531 7.399 57.705 1.00 18.60 C +ATOM 15 N SER A 226 -1.025 7.234 61.294 1.00 23.22 N +ATOM 16 CA SER A 226 -1.178 6.659 62.617 1.00 23.76 C +ATOM 17 C SER A 226 -0.992 7.651 63.751 1.00 23.69 C +ATOM 18 O SER A 226 -1.510 7.442 64.830 1.00 23.69 O +ATOM 19 CB SER A 226 -0.190 5.535 62.799 1.00 23.83 C +ATOM 20 OG SER A 226 -0.691 4.399 62.126 1.00 25.76 O +ATOM 21 N TYR A 227 -0.246 8.723 63.514 1.00 23.63 N +ATOM 22 CA TYR A 227 -0.047 9.729 64.548 1.00 23.68 C +ATOM 23 C TYR A 227 -0.863 10.982 64.320 1.00 23.05 C +ATOM 24 O TYR A 227 -0.633 11.998 64.952 1.00 22.80 O +ATOM 25 CB TYR A 227 1.420 10.079 64.657 1.00 24.58 C +ATOM 26 CG TYR A 227 2.273 8.846 64.708 1.00 26.84 C +ATOM 27 CD1 TYR A 227 1.828 7.715 65.372 1.00 29.66 C +ATOM 28 CD2 TYR A 227 3.526 8.817 64.119 1.00 29.71 C +ATOM 29 CE1 TYR A 227 2.591 6.580 65.436 1.00 32.50 C +ATOM 30 CE2 TYR A 227 4.303 7.684 64.176 1.00 33.21 C +ATOM 31 CZ TYR A 227 3.825 6.565 64.835 1.00 33.83 C +ATOM 32 OH TYR A 227 4.579 5.424 64.902 1.00 35.96 O +ATOM 33 N VAL A 228 -1.819 10.906 63.406 1.00 22.54 N +ATOM 34 CA VAL A 228 -2.742 12.003 63.206 1.00 21.87 C +ATOM 35 C VAL A 228 -3.902 11.883 64.179 1.00 21.97 C +ATOM 36 O VAL A 228 -4.489 10.815 64.350 1.00 21.51 O +ATOM 37 CB VAL A 228 -3.208 12.090 61.740 1.00 21.57 C +ATOM 38 CG1 VAL A 228 -4.327 13.138 61.565 1.00 20.30 C +ATOM 39 CG2 VAL A 228 -1.998 12.398 60.854 1.00 21.32 C +ATOM 40 N LYS A 229 -4.195 12.992 64.845 1.00 22.40 N +ATOM 41 CA LYS A 229 -5.342 13.076 65.749 1.00 22.49 C +ATOM 42 C LYS A 229 -6.656 12.950 64.963 1.00 22.08 C +ATOM 43 O LYS A 229 -6.856 13.646 63.957 1.00 21.42 O +ATOM 44 CB LYS A 229 -5.295 14.398 66.517 1.00 22.48 C +ATOM 45 CG LYS A 229 -6.523 14.634 67.375 1.00 24.73 C +ATOM 46 CD LYS A 229 -6.560 13.639 68.549 1.00 28.25 C +ATOM 47 CE LYS A 229 -7.991 13.335 68.982 1.00 31.39 C +ATOM 48 NZ LYS A 229 -8.011 12.860 70.394 1.00 33.09 N +ATOM 49 N GLU A 230 -7.525 12.039 65.398 1.00 21.38 N +ATOM 50 CA GLU A 230 -8.758 11.769 64.686 1.00 21.23 C +ATOM 51 C GLU A 230 -9.747 12.883 64.981 1.00 21.09 C +ATOM 52 O GLU A 230 -9.601 13.596 65.978 1.00 20.85 O +ATOM 53 CB GLU A 230 -9.362 10.409 65.099 1.00 21.49 C +ATOM 54 CG GLU A 230 -9.641 10.252 66.612 1.00 21.63 C +ATOM 55 CD GLU A 230 -8.459 9.601 67.408 1.00 23.53 C +ATOM 56 OE1 GLU A 230 -7.284 10.053 67.300 1.00 24.32 O +ATOM 57 OE2 GLU A 230 -8.713 8.638 68.164 1.00 22.42 O +ATOM 58 N GLY A 231 -10.772 13.012 64.134 1.00 20.50 N +ATOM 59 CA GLY A 231 -11.727 14.110 64.269 1.00 20.08 C +ATOM 60 C GLY A 231 -12.187 14.655 62.924 1.00 20.29 C +ATOM 61 O GLY A 231 -12.155 13.950 61.909 1.00 20.09 O +ATOM 62 N LEU A 232 -12.634 15.908 62.929 1.00 19.88 N +ATOM 63 CA LEU A 232 -13.030 16.602 61.723 1.00 20.25 C +ATOM 64 C LEU A 232 -12.016 17.712 61.521 1.00 20.36 C +ATOM 65 O LEU A 232 -11.577 18.353 62.485 1.00 19.62 O +ATOM 66 CB LEU A 232 -14.431 17.198 61.868 1.00 20.29 C +ATOM 67 CG LEU A 232 -15.551 16.258 62.323 1.00 21.47 C +ATOM 68 CD1 LEU A 232 -16.915 16.994 62.323 1.00 20.92 C +ATOM 69 CD2 LEU A 232 -15.593 14.983 61.444 1.00 19.42 C +ATOM 70 N ALA A 233 -11.621 17.934 60.276 1.00 19.92 N +ATOM 71 CA ALA A 233 -10.636 18.961 60.031 1.00 20.07 C +ATOM 72 C ALA A 233 -10.755 19.488 58.622 1.00 20.22 C +ATOM 73 O ALA A 233 -11.480 18.944 57.806 1.00 19.63 O +ATOM 74 CB ALA A 233 -9.229 18.439 60.307 1.00 19.81 C +ATOM 75 N VAL A 234 -10.078 20.591 58.357 1.00 21.27 N +ATOM 76 CA VAL A 234 -9.876 21.005 56.979 1.00 22.41 C +ATOM 77 C VAL A 234 -8.372 20.966 56.689 1.00 22.66 C +ATOM 78 O VAL A 234 -7.549 21.355 57.521 1.00 22.63 O +ATOM 79 CB VAL A 234 -10.582 22.349 56.623 1.00 22.44 C +ATOM 80 CG1 VAL A 234 -10.293 23.399 57.669 1.00 23.86 C +ATOM 81 CG2 VAL A 234 -10.142 22.846 55.259 1.00 23.61 C +ATOM 82 N LEU A 235 -8.022 20.419 55.531 1.00 23.56 N +ATOM 83 CA LEU A 235 -6.641 20.226 55.156 1.00 24.45 C +ATOM 84 C LEU A 235 -6.332 21.386 54.268 1.00 25.37 C +ATOM 85 O LEU A 235 -6.824 21.442 53.152 1.00 26.24 O +ATOM 86 CB LEU A 235 -6.491 18.935 54.364 1.00 24.34 C +ATOM 87 CG LEU A 235 -5.066 18.546 54.026 1.00 24.92 C +ATOM 88 CD1 LEU A 235 -4.243 18.487 55.313 1.00 24.92 C +ATOM 89 CD2 LEU A 235 -5.085 17.224 53.359 1.00 24.81 C +ATOM 90 N GLU A 236 -5.533 22.325 54.751 1.00 25.94 N +ATOM 91 CA GLU A 236 -5.273 23.525 53.982 1.00 26.64 C +ATOM 92 C GLU A 236 -3.789 23.771 53.679 1.00 26.11 C +ATOM 93 O GLU A 236 -3.000 24.036 54.588 1.00 26.31 O +ATOM 94 CB GLU A 236 -5.816 24.689 54.759 1.00 27.41 C +ATOM 95 CG GLU A 236 -5.547 25.998 54.133 1.00 30.91 C +ATOM 96 CD GLU A 236 -6.637 26.952 54.520 1.00 34.96 C +ATOM 97 OE1 GLU A 236 -6.452 27.606 55.560 1.00 38.52 O +ATOM 98 OE2 GLU A 236 -7.694 26.996 53.843 1.00 36.92 O +ATOM 99 N ASP A 237 -3.419 23.716 52.401 1.00 25.86 N +ATOM 100 CA ASP A 237 -2.010 23.715 51.989 1.00 25.54 C +ATOM 101 C ASP A 237 -1.200 22.765 52.836 1.00 24.27 C +ATOM 102 O ASP A 237 -0.155 23.147 53.347 1.00 23.32 O +ATOM 103 CB ASP A 237 -1.375 25.105 52.101 1.00 26.49 C +ATOM 104 CG ASP A 237 -1.950 26.085 51.098 1.00 30.28 C +ATOM 105 OD1 ASP A 237 -2.559 25.638 50.088 1.00 33.51 O +ATOM 106 OD2 ASP A 237 -1.795 27.310 51.313 1.00 34.43 O +ATOM 107 N GLY A 238 -1.690 21.540 52.985 1.00 23.29 N +ATOM 108 CA GLY A 238 -0.950 20.489 53.680 1.00 22.64 C +ATOM 109 C GLY A 238 -0.982 20.535 55.197 1.00 21.32 C +ATOM 110 O GLY A 238 -0.274 19.772 55.841 1.00 21.31 O +ATOM 111 N ARG A 239 -1.796 21.419 55.764 1.00 20.49 N +ATOM 112 CA ARG A 239 -1.888 21.537 57.233 1.00 20.50 C +ATOM 113 C ARG A 239 -3.282 21.264 57.758 1.00 18.93 C +ATOM 114 O ARG A 239 -4.247 21.786 57.229 1.00 18.27 O +ATOM 115 CB ARG A 239 -1.438 22.926 57.690 1.00 20.76 C +ATOM 116 CG ARG A 239 -0.004 23.215 57.326 1.00 25.25 C +ATOM 117 CD ARG A 239 0.418 24.584 57.859 1.00 31.79 C +ATOM 118 NE ARG A 239 -0.632 25.556 57.597 1.00 37.53 N +ATOM 119 CZ ARG A 239 -0.721 26.264 56.473 1.00 40.77 C +ATOM 120 NH1 ARG A 239 -1.724 27.127 56.308 1.00 41.56 N +ATOM 121 NH2 ARG A 239 0.203 26.117 55.515 1.00 41.52 N +ATOM 122 N LEU A 240 -3.393 20.452 58.806 1.00 18.15 N +ATOM 123 CA LEU A 240 -4.699 20.234 59.431 1.00 17.83 C +ATOM 124 C LEU A 240 -5.142 21.406 60.311 1.00 18.00 C +ATOM 125 O LEU A 240 -4.374 21.900 61.126 1.00 18.16 O +ATOM 126 CB LEU A 240 -4.690 18.962 60.253 1.00 17.29 C +ATOM 127 CG LEU A 240 -4.542 17.740 59.363 1.00 17.46 C +ATOM 128 CD1 LEU A 240 -4.066 16.546 60.190 1.00 17.02 C +ATOM 129 CD2 LEU A 240 -5.869 17.479 58.675 1.00 14.80 C +ATOM 130 N ILE A 241 -6.386 21.841 60.129 1.00 18.17 N +ATOM 131 CA ILE A 241 -7.035 22.821 61.006 1.00 17.69 C +ATOM 132 C ILE A 241 -8.278 22.101 61.524 1.00 17.34 C +ATOM 133 O ILE A 241 -9.173 21.766 60.743 1.00 17.55 O +ATOM 134 CB ILE A 241 -7.471 24.072 60.206 1.00 17.97 C +ATOM 135 CG1 ILE A 241 -6.267 24.741 59.540 1.00 18.78 C +ATOM 136 CG2 ILE A 241 -8.211 25.066 61.088 1.00 17.60 C +ATOM 137 CD1 ILE A 241 -6.666 25.603 58.351 1.00 20.02 C +ATOM 138 N TYR A 242 -8.327 21.814 62.815 1.00 16.78 N +ATOM 139 CA TYR A 242 -9.426 20.981 63.348 1.00 16.97 C +ATOM 140 C TYR A 242 -10.694 21.819 63.488 1.00 17.07 C +ATOM 141 O TYR A 242 -10.637 22.996 63.855 1.00 16.74 O +ATOM 142 CB TYR A 242 -9.023 20.274 64.652 1.00 16.10 C +ATOM 143 CG TYR A 242 -8.133 19.094 64.345 1.00 16.79 C +ATOM 144 CD1 TYR A 242 -8.668 17.815 64.214 1.00 17.50 C +ATOM 145 CD2 TYR A 242 -6.771 19.271 64.095 1.00 16.41 C +ATOM 146 CE1 TYR A 242 -7.867 16.731 63.880 1.00 16.67 C +ATOM 147 CE2 TYR A 242 -5.961 18.209 63.755 1.00 16.47 C +ATOM 148 CZ TYR A 242 -6.512 16.934 63.659 1.00 17.49 C +ATOM 149 OH TYR A 242 -5.710 15.869 63.322 1.00 15.38 O +ATOM 150 N ILE A 243 -11.826 21.240 63.142 1.00 17.25 N +ATOM 151 CA ILE A 243 -13.058 22.004 63.177 1.00 17.77 C +ATOM 152 C ILE A 243 -14.114 21.269 63.980 1.00 18.49 C +ATOM 153 O ILE A 243 -13.885 20.139 64.423 1.00 19.04 O +ATOM 154 CB ILE A 243 -13.582 22.286 61.745 1.00 17.86 C +ATOM 155 CG1 ILE A 243 -14.038 20.994 61.048 1.00 17.91 C +ATOM 156 CG2 ILE A 243 -12.508 22.973 60.926 1.00 15.67 C +ATOM 157 CD1 ILE A 243 -14.274 21.159 59.548 1.00 17.95 C +ATOM 158 N THR A 244 -15.258 21.934 64.154 1.00 19.07 N +ATOM 159 CA THR A 244 -16.448 21.426 64.828 1.00 18.79 C +ATOM 160 C THR A 244 -17.421 20.755 63.846 1.00 19.40 C +ATOM 161 O THR A 244 -17.326 20.957 62.641 1.00 19.22 O +ATOM 162 CB THR A 244 -17.205 22.608 65.482 1.00 18.83 C +ATOM 163 OG1 THR A 244 -17.585 23.565 64.471 1.00 18.13 O +ATOM 164 CG2 THR A 244 -16.328 23.304 66.516 1.00 18.37 C +ATOM 165 N PRO A 245 -18.395 19.984 64.361 1.00 19.73 N +ATOM 166 CA PRO A 245 -19.453 19.474 63.477 1.00 20.14 C +ATOM 167 C PRO A 245 -20.200 20.603 62.749 1.00 20.88 C +ATOM 168 O PRO A 245 -20.520 20.483 61.555 1.00 20.90 O +ATOM 169 CB PRO A 245 -20.390 18.734 64.441 1.00 20.19 C +ATOM 170 CG PRO A 245 -19.496 18.299 65.554 1.00 20.27 C +ATOM 171 CD PRO A 245 -18.483 19.427 65.720 1.00 19.48 C +ATOM 172 N GLU A 246 -20.455 21.702 63.446 1.00 21.45 N +ATOM 173 CA GLU A 246 -21.100 22.863 62.814 1.00 23.16 C +ATOM 174 C GLU A 246 -20.361 23.353 61.562 1.00 22.59 C +ATOM 175 O GLU A 246 -20.932 23.439 60.464 1.00 22.29 O +ATOM 176 CB GLU A 246 -21.182 24.027 63.812 1.00 23.91 C +ATOM 177 CG GLU A 246 -22.062 23.754 65.004 1.00 29.08 C +ATOM 178 CD GLU A 246 -21.506 22.685 65.947 1.00 35.17 C +ATOM 179 OE1 GLU A 246 -20.291 22.715 66.260 1.00 36.10 O +ATOM 180 OE2 GLU A 246 -22.303 21.819 66.384 1.00 38.54 O +ATOM 181 N GLU A 247 -19.094 23.717 61.741 1.00 22.20 N +ATOM 182 CA GLU A 247 -18.273 24.144 60.613 1.00 22.00 C +ATOM 183 C GLU A 247 -18.194 23.063 59.524 1.00 21.94 C +ATOM 184 O GLU A 247 -18.308 23.348 58.349 1.00 21.21 O +ATOM 185 CB GLU A 247 -16.885 24.547 61.092 1.00 21.76 C +ATOM 186 CG GLU A 247 -16.053 25.278 60.034 1.00 22.95 C +ATOM 187 CD GLU A 247 -16.756 26.508 59.481 1.00 24.32 C +ATOM 188 OE1 GLU A 247 -17.685 27.024 60.142 1.00 23.27 O +ATOM 189 OE2 GLU A 247 -16.393 26.941 58.360 1.00 26.03 O +ATOM 190 N PHE A 248 -18.014 21.810 59.920 1.00 22.57 N +ATOM 191 CA PHE A 248 -18.037 20.717 58.965 1.00 22.88 C +ATOM 192 C PHE A 248 -19.270 20.821 58.062 1.00 23.83 C +ATOM 193 O PHE A 248 -19.167 20.740 56.833 1.00 24.28 O +ATOM 194 CB PHE A 248 -18.072 19.406 59.749 1.00 22.92 C +ATOM 195 CG PHE A 248 -18.057 18.158 58.905 1.00 22.30 C +ATOM 196 CD1 PHE A 248 -16.869 17.636 58.450 1.00 21.65 C +ATOM 197 CD2 PHE A 248 -19.230 17.474 58.634 1.00 24.15 C +ATOM 198 CE1 PHE A 248 -16.844 16.484 57.719 1.00 22.18 C +ATOM 199 CE2 PHE A 248 -19.212 16.308 57.889 1.00 24.00 C +ATOM 200 CZ PHE A 248 -18.015 15.820 57.430 1.00 23.60 C +ATOM 201 N ARG A 249 -20.445 20.940 58.671 1.00 24.43 N +ATOM 202 CA ARG A 249 -21.689 21.021 57.894 1.00 26.07 C +ATOM 203 C ARG A 249 -21.767 22.277 57.039 1.00 25.97 C +ATOM 204 O ARG A 249 -22.127 22.224 55.847 1.00 26.12 O +ATOM 205 CB ARG A 249 -22.904 20.952 58.809 1.00 26.46 C +ATOM 206 CG ARG A 249 -23.406 19.544 58.980 1.00 29.76 C +ATOM 207 CD ARG A 249 -24.657 19.575 59.781 1.00 34.28 C +ATOM 208 NE ARG A 249 -24.437 20.257 61.051 1.00 36.93 N +ATOM 209 CZ ARG A 249 -24.324 19.606 62.197 1.00 37.43 C +ATOM 210 NH1 ARG A 249 -24.419 18.281 62.188 1.00 37.73 N +ATOM 211 NH2 ARG A 249 -24.125 20.269 63.326 1.00 37.11 N +ATOM 212 N GLN A 250 -21.422 23.401 57.650 1.00 25.46 N +ATOM 213 CA GLN A 250 -21.311 24.649 56.931 1.00 26.25 C +ATOM 214 C GLN A 250 -20.460 24.511 55.648 1.00 26.01 C +ATOM 215 O GLN A 250 -20.928 24.799 54.539 1.00 25.69 O +ATOM 216 CB GLN A 250 -20.727 25.699 57.859 1.00 26.70 C +ATOM 217 CG GLN A 250 -21.072 27.060 57.436 1.00 30.13 C +ATOM 218 CD GLN A 250 -22.533 27.325 57.582 1.00 33.74 C +ATOM 219 OE1 GLN A 250 -23.245 27.416 56.585 1.00 35.31 O +ATOM 220 NE2 GLN A 250 -23.006 27.421 58.828 1.00 34.40 N +ATOM 221 N LEU A 251 -19.232 24.015 55.785 1.00 25.46 N +ATOM 222 CA LEU A 251 -18.353 23.896 54.636 1.00 25.72 C +ATOM 223 C LEU A 251 -18.965 23.033 53.549 1.00 25.80 C +ATOM 224 O LEU A 251 -18.854 23.345 52.363 1.00 25.29 O +ATOM 225 CB LEU A 251 -16.982 23.359 55.061 1.00 25.75 C +ATOM 226 CG LEU A 251 -16.205 24.390 55.875 1.00 25.29 C +ATOM 227 CD1 LEU A 251 -15.095 23.746 56.709 1.00 24.55 C +ATOM 228 CD2 LEU A 251 -15.654 25.512 54.940 1.00 24.18 C +ATOM 229 N LEU A 252 -19.651 21.966 53.960 1.00 26.33 N +ATOM 230 CA LEU A 252 -20.326 21.079 52.998 1.00 26.71 C +ATOM 231 C LEU A 252 -21.553 21.696 52.255 1.00 27.18 C +ATOM 232 O LEU A 252 -22.044 21.113 51.289 1.00 27.01 O +ATOM 233 CB LEU A 252 -20.647 19.709 53.633 1.00 26.77 C +ATOM 234 CG LEU A 252 -19.416 18.864 54.027 1.00 26.79 C +ATOM 235 CD1 LEU A 252 -19.780 17.491 54.627 1.00 24.67 C +ATOM 236 CD2 LEU A 252 -18.474 18.716 52.833 1.00 25.30 C +ATOM 237 N GLN A 253 -22.031 22.874 52.656 1.00 27.92 N +ATOM 238 CA GLN A 253 -23.059 23.547 51.832 1.00 29.03 C +ATOM 239 C GLN A 253 -22.505 24.217 50.615 1.00 28.69 C +ATOM 240 O GLN A 253 -23.273 24.682 49.787 1.00 29.19 O +ATOM 241 CB GLN A 253 -23.722 24.706 52.555 1.00 29.27 C +ATOM 242 CG GLN A 253 -23.840 24.571 54.022 1.00 33.11 C +ATOM 243 CD GLN A 253 -25.228 24.199 54.424 1.00 37.77 C +ATOM 244 OE1 GLN A 253 -25.819 23.269 53.861 1.00 39.04 O +ATOM 245 NE2 GLN A 253 -25.780 24.931 55.394 1.00 38.19 N +ATOM 246 N GLY A 254 -21.192 24.372 50.542 1.00 28.13 N +ATOM 247 CA GLY A 254 -20.605 25.117 49.437 1.00 27.08 C +ATOM 248 C GLY A 254 -19.828 24.203 48.526 1.00 26.31 C +ATOM 249 O GLY A 254 -20.239 23.073 48.277 1.00 27.00 O +ATOM 250 N ASP A 255 -18.709 24.691 48.013 1.00 25.34 N +ATOM 251 CA ASP A 255 -17.840 23.867 47.199 1.00 24.57 C +ATOM 252 C ASP A 255 -16.770 23.263 48.115 1.00 24.26 C +ATOM 253 O ASP A 255 -16.056 23.993 48.803 1.00 24.68 O +ATOM 254 CB ASP A 255 -17.191 24.697 46.102 1.00 24.59 C +ATOM 255 CG ASP A 255 -18.176 25.107 44.991 1.00 26.28 C +ATOM 256 OD1 ASP A 255 -19.407 24.910 45.138 1.00 26.20 O +ATOM 257 OD2 ASP A 255 -17.707 25.630 43.949 1.00 28.07 O +ATOM 258 N ALA A 256 -16.668 21.937 48.149 1.00 22.87 N +ATOM 259 CA ALA A 256 -15.701 21.296 49.016 1.00 21.79 C +ATOM 260 C ALA A 256 -15.533 19.858 48.627 1.00 21.31 C +ATOM 261 O ALA A 256 -16.466 19.226 48.114 1.00 21.04 O +ATOM 262 CB ALA A 256 -16.157 21.368 50.487 1.00 22.05 C +ATOM 263 N ILE A 257 -14.349 19.333 48.914 1.00 20.39 N +ATOM 264 CA ILE A 257 -14.104 17.915 48.814 1.00 19.80 C +ATOM 265 C ILE A 257 -14.047 17.277 50.203 1.00 19.65 C +ATOM 266 O ILE A 257 -13.233 17.665 51.035 1.00 19.35 O +ATOM 267 CB ILE A 257 -12.776 17.651 48.114 1.00 19.87 C +ATOM 268 CG1 ILE A 257 -12.738 18.402 46.778 1.00 18.86 C +ATOM 269 CG2 ILE A 257 -12.580 16.149 47.953 1.00 19.60 C +ATOM 270 CD1 ILE A 257 -11.327 18.491 46.180 1.00 19.42 C +ATOM 271 N LEU A 258 -14.911 16.301 50.453 1.00 18.90 N +ATOM 272 CA LEU A 258 -14.875 15.579 51.706 1.00 18.93 C +ATOM 273 C LEU A 258 -13.999 14.327 51.569 1.00 19.10 C +ATOM 274 O LEU A 258 -14.233 13.510 50.680 1.00 19.46 O +ATOM 275 CB LEU A 258 -16.299 15.213 52.144 1.00 18.64 C +ATOM 276 CG LEU A 258 -16.411 14.126 53.215 1.00 18.09 C +ATOM 277 CD1 LEU A 258 -15.887 14.640 54.589 1.00 18.50 C +ATOM 278 CD2 LEU A 258 -17.840 13.633 53.319 1.00 15.60 C +ATOM 279 N ALA A 259 -12.976 14.186 52.421 1.00 18.92 N +ATOM 280 CA ALA A 259 -12.168 12.961 52.433 1.00 18.62 C +ATOM 281 C ALA A 259 -12.622 12.083 53.589 1.00 18.78 C +ATOM 282 O ALA A 259 -12.594 12.512 54.738 1.00 18.74 O +ATOM 283 CB ALA A 259 -10.688 13.270 52.554 1.00 17.81 C +ATOM 284 N VAL A 260 -13.049 10.865 53.272 1.00 19.24 N +ATOM 285 CA VAL A 260 -13.497 9.897 54.269 1.00 19.44 C +ATOM 286 C VAL A 260 -12.341 8.944 54.568 1.00 19.68 C +ATOM 287 O VAL A 260 -11.978 8.091 53.740 1.00 19.65 O +ATOM 288 CB VAL A 260 -14.755 9.129 53.786 1.00 19.82 C +ATOM 289 CG1 VAL A 260 -15.189 8.105 54.823 1.00 20.42 C +ATOM 290 CG2 VAL A 260 -15.888 10.097 53.525 1.00 19.11 C +ATOM 291 N TYR A 261 -11.736 9.130 55.742 1.00 19.50 N +ATOM 292 CA TYR A 261 -10.507 8.456 56.103 1.00 19.45 C +ATOM 293 C TYR A 261 -10.637 7.688 57.408 1.00 19.78 C +ATOM 294 O TYR A 261 -11.497 7.986 58.242 1.00 18.57 O +ATOM 295 CB TYR A 261 -9.396 9.478 56.309 1.00 19.57 C +ATOM 296 CG TYR A 261 -8.418 9.613 55.176 1.00 19.01 C +ATOM 297 CD1 TYR A 261 -8.849 9.719 53.855 1.00 19.00 C +ATOM 298 CD2 TYR A 261 -7.063 9.680 55.435 1.00 19.94 C +ATOM 299 CE1 TYR A 261 -7.949 9.874 52.827 1.00 19.01 C +ATOM 300 CE2 TYR A 261 -6.152 9.833 54.421 1.00 20.62 C +ATOM 301 CZ TYR A 261 -6.600 9.938 53.116 1.00 20.20 C +ATOM 302 OH TYR A 261 -5.680 10.083 52.114 1.00 19.14 O +ATOM 303 N SER A 262 -9.719 6.741 57.581 1.00 19.86 N +ATOM 304 CA SER A 262 -9.582 5.989 58.812 1.00 21.13 C +ATOM 305 C SER A 262 -8.099 5.733 59.125 1.00 21.67 C +ATOM 306 O SER A 262 -7.304 5.419 58.222 1.00 21.12 O +ATOM 307 CB SER A 262 -10.328 4.664 58.707 1.00 20.88 C +ATOM 308 OG SER A 262 -10.047 3.899 59.856 1.00 23.50 O +ATOM 309 N LYS A 263 -7.733 5.892 60.397 1.00 22.16 N +ATOM 310 CA LYS A 263 -6.355 5.688 60.859 1.00 23.08 C +ATOM 311 C LYS A 263 -5.942 4.207 60.887 1.00 24.15 C +ATOM 312 O LYS A 263 -4.768 3.876 60.872 1.00 24.44 O +ATOM 313 CB LYS A 263 -6.201 6.241 62.276 1.00 23.51 C +ATOM 314 CG LYS A 263 -6.226 7.746 62.388 1.00 21.62 C +ATOM 315 CD LYS A 263 -6.250 8.164 63.845 1.00 20.79 C +ATOM 316 CE LYS A 263 -5.044 7.613 64.612 1.00 18.10 C +ATOM 317 NZ LYS A 263 -4.587 8.557 65.650 1.00 17.23 N +ATOM 318 N THR A 264 -6.917 3.318 60.966 1.00 25.28 N +ATOM 319 CA THR A 264 -6.651 1.887 60.920 1.00 26.14 C +ATOM 320 C THR A 264 -6.694 1.331 59.500 1.00 25.73 C +ATOM 321 O THR A 264 -6.674 0.107 59.327 1.00 26.01 O +ATOM 322 CB THR A 264 -7.748 1.120 61.647 1.00 26.14 C +ATOM 323 OG1 THR A 264 -8.941 1.190 60.865 1.00 28.28 O +ATOM 324 CG2 THR A 264 -8.018 1.708 63.004 1.00 27.73 C +ATOM 325 N CYS A 265 -6.791 2.203 58.491 1.00 24.93 N +ATOM 326 CA CYS A 265 -6.941 1.732 57.120 1.00 24.30 C +ATOM 327 C CYS A 265 -5.642 1.837 56.323 1.00 24.09 C +ATOM 328 O CYS A 265 -5.090 2.917 56.140 1.00 23.57 O +ATOM 329 CB CYS A 265 -8.100 2.442 56.422 1.00 24.37 C +ATOM 330 SG CYS A 265 -8.263 2.148 54.636 1.00 25.39 S +ATOM 331 N PRO A 266 -5.146 0.693 55.842 1.00 24.03 N +ATOM 332 CA PRO A 266 -3.867 0.624 55.150 1.00 23.68 C +ATOM 333 C PRO A 266 -3.929 1.390 53.835 1.00 23.37 C +ATOM 334 O PRO A 266 -2.938 1.951 53.389 1.00 22.40 O +ATOM 335 CB PRO A 266 -3.692 -0.870 54.886 1.00 23.88 C +ATOM 336 CG PRO A 266 -5.084 -1.405 54.820 1.00 24.71 C +ATOM 337 CD PRO A 266 -5.888 -0.577 55.800 1.00 24.25 C +ATOM 338 N HIS A 267 -5.099 1.437 53.221 1.00 23.45 N +ATOM 339 CA HIS A 267 -5.248 2.231 52.017 1.00 23.81 C +ATOM 340 C HIS A 267 -5.188 3.730 52.280 1.00 23.25 C +ATOM 341 O HIS A 267 -4.613 4.478 51.481 1.00 24.01 O +ATOM 342 CB HIS A 267 -6.546 1.863 51.308 1.00 24.69 C +ATOM 343 CG HIS A 267 -6.724 0.388 51.124 1.00 26.53 C +ATOM 344 ND1 HIS A 267 -6.010 -0.343 50.195 1.00 29.41 N +ATOM 345 CD2 HIS A 267 -7.540 -0.493 51.748 1.00 27.28 C +ATOM 346 CE1 HIS A 267 -6.367 -1.613 50.268 1.00 29.27 C +ATOM 347 NE2 HIS A 267 -7.296 -1.729 51.201 1.00 28.88 N +ATOM 348 N CYS A 268 -5.807 4.175 53.366 1.00 22.07 N +ATOM 349 CA CYS A 268 -5.696 5.580 53.759 1.00 21.39 C +ATOM 350 C CYS A 268 -4.249 5.944 54.074 1.00 21.42 C +ATOM 351 O CYS A 268 -3.818 7.040 53.750 1.00 20.95 O +ATOM 352 CB CYS A 268 -6.628 5.922 54.922 1.00 20.75 C +ATOM 353 SG CYS A 268 -8.361 5.605 54.551 1.00 21.22 S +ATOM 354 N HIS A 269 -3.482 5.026 54.675 1.00 21.84 N +ATOM 355 CA HIS A 269 -2.054 5.299 54.932 1.00 22.39 C +ATOM 356 C HIS A 269 -1.289 5.482 53.634 1.00 22.77 C +ATOM 357 O HIS A 269 -0.404 6.328 53.541 1.00 22.89 O +ATOM 358 CB HIS A 269 -1.387 4.172 55.742 1.00 23.16 C +ATOM 359 CG HIS A 269 -1.684 4.220 57.206 1.00 23.46 C +ATOM 360 ND1 HIS A 269 -0.751 4.613 58.138 1.00 23.42 N +ATOM 361 CD2 HIS A 269 -2.814 3.937 57.897 1.00 25.70 C +ATOM 362 CE1 HIS A 269 -1.294 4.580 59.341 1.00 26.68 C +ATOM 363 NE2 HIS A 269 -2.546 4.170 59.223 1.00 27.44 N +ATOM 364 N ARG A 270 -1.604 4.665 52.634 1.00 23.19 N +ATOM 365 CA ARG A 270 -0.958 4.805 51.339 1.00 24.40 C +ATOM 366 C ARG A 270 -1.314 6.131 50.673 1.00 23.80 C +ATOM 367 O ARG A 270 -0.466 6.792 50.071 1.00 23.75 O +ATOM 368 CB ARG A 270 -1.374 3.673 50.409 1.00 24.89 C +ATOM 369 CG ARG A 270 -1.254 2.310 51.022 1.00 29.03 C +ATOM 370 CD ARG A 270 -0.466 1.367 50.112 1.00 36.93 C +ATOM 371 NE ARG A 270 -0.680 1.677 48.702 1.00 40.83 N +ATOM 372 CZ ARG A 270 -1.831 1.475 48.069 1.00 43.40 C +ATOM 373 NH1 ARG A 270 -2.871 0.963 48.727 1.00 44.80 N +ATOM 374 NH2 ARG A 270 -1.946 1.788 46.781 1.00 44.53 N +ATOM 375 N ASP A 271 -2.583 6.505 50.791 1.00 23.09 N +ATOM 376 CA ASP A 271 -3.110 7.677 50.120 1.00 22.38 C +ATOM 377 C ASP A 271 -2.707 9.006 50.776 1.00 22.29 C +ATOM 378 O ASP A 271 -2.618 10.038 50.102 1.00 22.81 O +ATOM 379 CB ASP A 271 -4.636 7.569 50.052 1.00 21.93 C +ATOM 380 CG ASP A 271 -5.256 8.626 49.147 1.00 22.83 C +ATOM 381 OD1 ASP A 271 -4.928 8.603 47.931 1.00 21.69 O +ATOM 382 OD2 ASP A 271 -6.065 9.469 49.641 1.00 19.40 O +ATOM 383 N TRP A 272 -2.457 8.970 52.084 1.00 21.77 N +ATOM 384 CA TRP A 272 -2.261 10.163 52.906 1.00 21.47 C +ATOM 385 C TRP A 272 -1.292 11.190 52.320 1.00 21.47 C +ATOM 386 O TRP A 272 -1.668 12.354 52.177 1.00 21.46 O +ATOM 387 CB TRP A 272 -1.826 9.730 54.308 1.00 21.71 C +ATOM 388 CG TRP A 272 -1.611 10.800 55.379 1.00 21.35 C +ATOM 389 CD1 TRP A 272 -0.574 10.854 56.280 1.00 21.37 C +ATOM 390 CD2 TRP A 272 -2.464 11.909 55.702 1.00 21.71 C +ATOM 391 NE1 TRP A 272 -0.724 11.941 57.120 1.00 20.60 N +ATOM 392 CE2 TRP A 272 -1.875 12.594 56.793 1.00 19.77 C +ATOM 393 CE3 TRP A 272 -3.647 12.407 55.162 1.00 21.56 C +ATOM 394 CZ2 TRP A 272 -2.432 13.729 57.341 1.00 20.99 C +ATOM 395 CZ3 TRP A 272 -4.205 13.537 55.736 1.00 19.90 C +ATOM 396 CH2 TRP A 272 -3.605 14.179 56.802 1.00 20.34 C +ATOM 397 N PRO A 273 -0.045 10.771 51.977 1.00 21.61 N +ATOM 398 CA PRO A 273 0.910 11.699 51.330 1.00 21.31 C +ATOM 399 C PRO A 273 0.372 12.281 50.028 1.00 20.90 C +ATOM 400 O PRO A 273 0.647 13.426 49.711 1.00 21.04 O +ATOM 401 CB PRO A 273 2.133 10.827 51.013 1.00 21.67 C +ATOM 402 CG PRO A 273 1.906 9.494 51.646 1.00 21.40 C +ATOM 403 CD PRO A 273 0.492 9.399 52.124 1.00 21.70 C +ATOM 404 N GLN A 274 -0.394 11.495 49.283 1.00 20.56 N +ATOM 405 CA GLN A 274 -0.947 11.962 48.019 1.00 20.07 C +ATOM 406 C GLN A 274 -2.013 13.022 48.305 1.00 20.10 C +ATOM 407 O GLN A 274 -2.071 14.066 47.626 1.00 18.92 O +ATOM 408 CB GLN A 274 -1.533 10.789 47.233 1.00 19.64 C +ATOM 409 CG GLN A 274 -0.492 9.757 46.818 1.00 19.74 C +ATOM 410 CD GLN A 274 0.669 10.372 46.049 1.00 21.11 C +ATOM 411 OE1 GLN A 274 0.474 11.057 45.043 1.00 20.39 O +ATOM 412 NE2 GLN A 274 1.881 10.122 46.515 1.00 20.71 N +ATOM 413 N LEU A 275 -2.850 12.768 49.319 1.00 19.28 N +ATOM 414 CA LEU A 275 -3.919 13.720 49.627 1.00 19.70 C +ATOM 415 C LEU A 275 -3.322 15.038 50.098 1.00 19.95 C +ATOM 416 O LEU A 275 -3.785 16.107 49.703 1.00 19.84 O +ATOM 417 CB LEU A 275 -4.914 13.177 50.660 1.00 19.31 C +ATOM 418 CG LEU A 275 -6.064 14.124 51.018 1.00 19.89 C +ATOM 419 CD1 LEU A 275 -6.917 14.408 49.787 1.00 18.55 C +ATOM 420 CD2 LEU A 275 -6.927 13.584 52.151 1.00 19.90 C +ATOM 421 N ILE A 276 -2.294 14.962 50.948 1.00 20.72 N +ATOM 422 CA ILE A 276 -1.626 16.172 51.462 1.00 21.39 C +ATOM 423 C ILE A 276 -1.131 17.069 50.319 1.00 21.83 C +ATOM 424 O ILE A 276 -1.286 18.287 50.372 1.00 21.76 O +ATOM 425 CB ILE A 276 -0.427 15.856 52.365 1.00 21.47 C +ATOM 426 CG1 ILE A 276 -0.834 15.051 53.597 1.00 22.80 C +ATOM 427 CG2 ILE A 276 0.266 17.135 52.811 1.00 22.34 C +ATOM 428 CD1 ILE A 276 -1.857 15.714 54.417 1.00 24.96 C +ATOM 429 N GLN A 277 -0.540 16.456 49.292 1.00 21.99 N +ATOM 430 CA GLN A 277 -0.028 17.179 48.131 1.00 22.35 C +ATOM 431 C GLN A 277 -1.134 17.841 47.331 1.00 22.14 C +ATOM 432 O GLN A 277 -0.994 18.979 46.877 1.00 22.09 O +ATOM 433 CB GLN A 277 0.684 16.216 47.198 1.00 22.84 C +ATOM 434 CG GLN A 277 2.153 16.064 47.456 1.00 25.50 C +ATOM 435 CD GLN A 277 2.907 17.380 47.341 1.00 29.19 C +ATOM 436 OE1 GLN A 277 3.850 17.611 48.081 1.00 30.69 O +ATOM 437 NE2 GLN A 277 2.479 18.255 46.428 1.00 31.60 N +ATOM 438 N ALA A 278 -2.214 17.102 47.119 1.00 21.69 N +ATOM 439 CA ALA A 278 -3.380 17.628 46.434 1.00 21.72 C +ATOM 440 C ALA A 278 -3.872 18.917 47.101 1.00 22.17 C +ATOM 441 O ALA A 278 -4.228 19.878 46.424 1.00 21.56 O +ATOM 442 CB ALA A 278 -4.495 16.585 46.397 1.00 21.61 C +ATOM 443 N SER A 279 -3.878 18.952 48.428 1.00 22.78 N +ATOM 444 CA SER A 279 -4.368 20.156 49.107 1.00 24.26 C +ATOM 445 C SER A 279 -3.512 21.383 48.780 1.00 25.24 C +ATOM 446 O SER A 279 -3.962 22.502 48.897 1.00 25.58 O +ATOM 447 CB SER A 279 -4.452 19.954 50.622 1.00 24.12 C +ATOM 448 OG SER A 279 -3.186 20.120 51.219 1.00 23.43 O +ATOM 449 N LYS A 280 -2.275 21.167 48.355 1.00 26.48 N +ATOM 450 CA LYS A 280 -1.424 22.281 47.976 1.00 27.53 C +ATOM 451 C LYS A 280 -1.585 22.680 46.503 1.00 28.00 C +ATOM 452 O LYS A 280 -1.018 23.669 46.056 1.00 28.19 O +ATOM 453 CB LYS A 280 0.033 21.956 48.313 1.00 27.52 C +ATOM 454 CG LYS A 280 0.186 21.605 49.780 1.00 28.18 C +ATOM 455 CD LYS A 280 1.273 20.593 49.991 1.00 30.00 C +ATOM 456 CE LYS A 280 2.513 21.224 50.555 1.00 30.80 C +ATOM 457 NZ LYS A 280 3.094 20.302 51.577 1.00 32.31 N +ATOM 458 N GLU A 281 -2.382 21.936 45.756 1.00 28.63 N +ATOM 459 CA GLU A 281 -2.565 22.264 44.353 1.00 29.39 C +ATOM 460 C GLU A 281 -3.971 22.773 44.023 1.00 29.85 C +ATOM 461 O GLU A 281 -4.239 23.169 42.904 1.00 31.00 O +ATOM 462 CB GLU A 281 -2.231 21.057 43.469 1.00 29.32 C +ATOM 463 CG GLU A 281 -0.994 20.259 43.881 1.00 29.44 C +ATOM 464 CD GLU A 281 0.332 20.938 43.497 1.00 31.70 C +ATOM 465 OE1 GLU A 281 0.336 21.762 42.555 1.00 32.28 O +ATOM 466 OE2 GLU A 281 1.372 20.630 44.133 1.00 30.93 O +ATOM 467 N VAL A 282 -4.896 22.731 44.966 1.00 29.66 N +ATOM 468 CA VAL A 282 -6.242 23.157 44.647 1.00 29.30 C +ATOM 469 C VAL A 282 -6.645 24.250 45.619 1.00 28.94 C +ATOM 470 O VAL A 282 -5.983 24.457 46.631 1.00 28.64 O +ATOM 471 CB VAL A 282 -7.249 22.005 44.712 1.00 29.51 C +ATOM 472 CG1 VAL A 282 -6.874 20.912 43.716 1.00 30.18 C +ATOM 473 CG2 VAL A 282 -7.328 21.455 46.126 1.00 29.40 C +ATOM 474 N ASP A 283 -7.712 24.969 45.301 1.00 28.35 N +ATOM 475 CA ASP A 283 -8.136 26.067 46.148 1.00 28.44 C +ATOM 476 C ASP A 283 -9.351 25.643 46.940 1.00 27.59 C +ATOM 477 O ASP A 283 -9.621 26.196 48.003 1.00 27.69 O +ATOM 478 CB ASP A 283 -8.534 27.274 45.312 1.00 28.77 C +ATOM 479 CG ASP A 283 -7.345 27.973 44.677 1.00 31.90 C +ATOM 480 OD1 ASP A 283 -6.234 27.976 45.274 1.00 31.06 O +ATOM 481 OD2 ASP A 283 -7.549 28.538 43.568 1.00 35.77 O +ATOM 482 N VAL A 284 -10.107 24.693 46.397 1.00 26.16 N +ATOM 483 CA VAL A 284 -11.303 24.254 47.065 1.00 25.06 C +ATOM 484 C VAL A 284 -10.938 23.551 48.372 1.00 23.89 C +ATOM 485 O VAL A 284 -9.955 22.797 48.439 1.00 23.57 O +ATOM 486 CB VAL A 284 -12.164 23.361 46.171 1.00 25.50 C +ATOM 487 CG1 VAL A 284 -11.459 22.039 45.911 1.00 26.00 C +ATOM 488 CG2 VAL A 284 -13.513 23.134 46.828 1.00 26.16 C +ATOM 489 N PRO A 285 -11.696 23.841 49.438 1.00 22.72 N +ATOM 490 CA PRO A 285 -11.388 23.221 50.732 1.00 21.62 C +ATOM 491 C PRO A 285 -11.511 21.691 50.691 1.00 20.54 C +ATOM 492 O PRO A 285 -12.502 21.147 50.196 1.00 19.76 O +ATOM 493 CB PRO A 285 -12.438 23.807 51.680 1.00 21.42 C +ATOM 494 CG PRO A 285 -13.084 24.953 50.929 1.00 22.58 C +ATOM 495 CD PRO A 285 -12.900 24.686 49.473 1.00 22.42 C +ATOM 496 N ILE A 286 -10.483 21.017 51.189 1.00 19.70 N +ATOM 497 CA ILE A 286 -10.543 19.599 51.464 1.00 19.24 C +ATOM 498 C ILE A 286 -10.939 19.416 52.926 1.00 19.27 C +ATOM 499 O ILE A 286 -10.190 19.759 53.840 1.00 19.87 O +ATOM 500 CB ILE A 286 -9.196 18.918 51.183 1.00 19.66 C +ATOM 501 CG1 ILE A 286 -8.817 19.117 49.708 1.00 19.41 C +ATOM 502 CG2 ILE A 286 -9.244 17.439 51.573 1.00 19.51 C +ATOM 503 CD1 ILE A 286 -7.671 18.270 49.243 1.00 20.23 C +ATOM 504 N VAL A 287 -12.136 18.888 53.128 1.00 18.78 N +ATOM 505 CA VAL A 287 -12.687 18.673 54.431 1.00 18.54 C +ATOM 506 C VAL A 287 -12.454 17.203 54.786 1.00 19.02 C +ATOM 507 O VAL A 287 -12.704 16.290 53.978 1.00 19.00 O +ATOM 508 CB VAL A 287 -14.192 18.996 54.449 1.00 18.82 C +ATOM 509 CG1 VAL A 287 -14.774 18.738 55.837 1.00 18.53 C +ATOM 510 CG2 VAL A 287 -14.428 20.441 54.030 1.00 17.66 C +ATOM 511 N MET A 288 -11.949 16.980 55.989 1.00 18.27 N +ATOM 512 CA MET A 288 -11.614 15.642 56.396 1.00 17.96 C +ATOM 513 C MET A 288 -12.434 15.067 57.519 1.00 17.93 C +ATOM 514 O MET A 288 -12.677 15.707 58.521 1.00 17.01 O +ATOM 515 CB MET A 288 -10.135 15.573 56.710 1.00 17.80 C +ATOM 516 CG MET A 288 -9.361 15.847 55.415 1.00 16.83 C +ATOM 517 SD MET A 288 -7.820 15.072 55.438 1.00 11.62 S +ATOM 518 CE MET A 288 -8.218 13.313 55.533 1.00 14.34 C +ATOM 519 N PHE A 289 -12.879 13.840 57.308 1.00 18.46 N +ATOM 520 CA PHE A 289 -13.251 13.006 58.410 1.00 19.24 C +ATOM 521 C PHE A 289 -12.171 11.934 58.581 1.00 19.18 C +ATOM 522 O PHE A 289 -11.860 11.206 57.656 1.00 19.05 O +ATOM 523 CB PHE A 289 -14.608 12.390 58.162 1.00 19.30 C +ATOM 524 CG PHE A 289 -14.911 11.237 59.054 1.00 22.35 C +ATOM 525 CD1 PHE A 289 -15.199 11.445 60.406 1.00 21.91 C +ATOM 526 CD2 PHE A 289 -14.932 9.931 58.544 1.00 24.27 C +ATOM 527 CE1 PHE A 289 -15.498 10.374 61.237 1.00 23.28 C +ATOM 528 CE2 PHE A 289 -15.239 8.839 59.384 1.00 25.07 C +ATOM 529 CZ PHE A 289 -15.529 9.070 60.727 1.00 23.05 C +ATOM 530 N ILE A 290 -11.582 11.874 59.768 1.00 19.51 N +ATOM 531 CA ILE A 290 -10.540 10.924 60.051 1.00 19.96 C +ATOM 532 C ILE A 290 -11.035 10.090 61.211 1.00 20.95 C +ATOM 533 O ILE A 290 -11.097 10.575 62.351 1.00 20.45 O +ATOM 534 CB ILE A 290 -9.217 11.610 60.472 1.00 19.84 C +ATOM 535 CG1 ILE A 290 -8.762 12.607 59.401 1.00 20.61 C +ATOM 536 CG2 ILE A 290 -8.120 10.546 60.730 1.00 19.77 C +ATOM 537 CD1 ILE A 290 -7.512 13.441 59.767 1.00 20.80 C +ATOM 538 N TRP A 291 -11.396 8.837 60.925 1.00 22.02 N +ATOM 539 CA TRP A 291 -11.883 7.957 61.981 1.00 23.05 C +ATOM 540 C TRP A 291 -10.746 7.439 62.867 1.00 23.03 C +ATOM 541 O TRP A 291 -9.667 7.115 62.398 1.00 23.03 O +ATOM 542 CB TRP A 291 -12.710 6.798 61.427 1.00 23.49 C +ATOM 543 CG TRP A 291 -13.397 6.118 62.543 1.00 26.22 C +ATOM 544 CD1 TRP A 291 -14.617 6.433 63.071 1.00 29.03 C +ATOM 545 CD2 TRP A 291 -12.866 5.067 63.351 1.00 28.00 C +ATOM 546 NE1 TRP A 291 -14.894 5.620 64.143 1.00 30.17 N +ATOM 547 CE2 TRP A 291 -13.837 4.766 64.334 1.00 29.97 C +ATOM 548 CE3 TRP A 291 -11.673 4.337 63.331 1.00 28.58 C +ATOM 549 CZ2 TRP A 291 -13.652 3.760 65.290 1.00 29.37 C +ATOM 550 CZ3 TRP A 291 -11.492 3.329 64.279 1.00 29.24 C +ATOM 551 CH2 TRP A 291 -12.471 3.064 65.251 1.00 29.24 C +ATOM 552 N GLY A 292 -10.999 7.403 64.162 1.00 23.58 N +ATOM 553 CA GLY A 292 -10.116 6.773 65.120 1.00 24.39 C +ATOM 554 C GLY A 292 -10.911 6.598 66.400 1.00 25.60 C +ATOM 555 O GLY A 292 -12.019 7.128 66.535 1.00 25.03 O +ATOM 556 N SER A 293 -10.353 5.860 67.350 1.00 26.75 N +ATOM 557 CA SER A 293 -11.146 5.395 68.481 1.00 27.98 C +ATOM 558 C SER A 293 -11.682 6.495 69.351 1.00 28.52 C +ATOM 559 O SER A 293 -12.685 6.321 70.015 1.00 28.50 O +ATOM 560 CB SER A 293 -10.322 4.466 69.353 1.00 28.06 C +ATOM 561 OG SER A 293 -10.239 3.170 68.754 1.00 29.00 O +ATOM 562 N LEU A 294 -10.988 7.614 69.404 1.00 29.23 N +ATOM 563 CA LEU A 294 -11.407 8.665 70.329 1.00 30.52 C +ATOM 564 C LEU A 294 -12.235 9.746 69.649 1.00 31.10 C +ATOM 565 O LEU A 294 -12.331 10.875 70.136 1.00 31.73 O +ATOM 566 CB LEU A 294 -10.214 9.287 71.045 1.00 30.50 C +ATOM 567 CG LEU A 294 -9.577 8.252 71.972 1.00 32.42 C +ATOM 568 CD1 LEU A 294 -8.287 7.739 71.371 1.00 35.15 C +ATOM 569 CD2 LEU A 294 -9.293 8.877 73.310 1.00 34.67 C +ATOM 570 N ILE A 295 -12.818 9.406 68.511 1.00 31.35 N +ATOM 571 CA ILE A 295 -13.684 10.339 67.824 1.00 31.67 C +ATOM 572 C ILE A 295 -14.930 10.654 68.672 1.00 31.80 C +ATOM 573 O ILE A 295 -15.475 9.776 69.339 1.00 31.27 O +ATOM 574 CB ILE A 295 -14.124 9.778 66.470 1.00 31.77 C +ATOM 575 CG1 ILE A 295 -14.876 10.847 65.694 1.00 32.18 C +ATOM 576 CG2 ILE A 295 -14.978 8.535 66.646 1.00 31.55 C +ATOM 577 CD1 ILE A 295 -14.104 11.337 64.531 1.00 32.76 C +ATOM 578 N GLY A 296 -15.396 11.901 68.611 1.00 32.02 N +ATOM 579 CA GLY A 296 -16.586 12.342 69.372 1.00 32.42 C +ATOM 580 C GLY A 296 -17.924 11.913 68.786 1.00 32.57 C +ATOM 581 O GLY A 296 -18.072 11.765 67.578 1.00 32.82 O +ATOM 582 N GLU A 297 -18.917 11.702 69.631 1.00 32.93 N +ATOM 583 CA GLU A 297 -20.192 11.245 69.121 1.00 33.79 C +ATOM 584 C GLU A 297 -20.719 12.131 68.005 1.00 33.06 C +ATOM 585 O GLU A 297 -21.131 11.638 66.964 1.00 33.09 O +ATOM 586 CB GLU A 297 -21.215 11.237 70.223 1.00 34.59 C +ATOM 587 CG GLU A 297 -21.179 10.035 71.081 1.00 38.40 C +ATOM 588 CD GLU A 297 -22.529 9.847 71.747 1.00 43.92 C +ATOM 589 OE1 GLU A 297 -23.552 9.992 71.033 1.00 44.83 O +ATOM 590 OE2 GLU A 297 -22.572 9.586 72.975 1.00 46.80 O +ATOM 591 N ARG A 298 -20.740 13.439 68.228 1.00 32.46 N +ATOM 592 CA ARG A 298 -21.326 14.341 67.224 1.00 32.43 C +ATOM 593 C ARG A 298 -20.469 14.472 65.959 1.00 31.03 C +ATOM 594 O ARG A 298 -20.995 14.520 64.857 1.00 31.07 O +ATOM 595 CB ARG A 298 -21.650 15.710 67.823 1.00 32.91 C +ATOM 596 CG ARG A 298 -21.898 15.670 69.325 1.00 35.90 C +ATOM 597 CD ARG A 298 -22.916 16.712 69.756 1.00 41.58 C +ATOM 598 NE ARG A 298 -22.525 17.390 70.999 1.00 46.51 N +ATOM 599 CZ ARG A 298 -23.380 17.891 71.898 1.00 48.35 C +ATOM 600 NH1 ARG A 298 -22.914 18.497 72.987 1.00 47.35 N +ATOM 601 NH2 ARG A 298 -24.701 17.772 71.724 1.00 48.32 N +ATOM 602 N GLU A 299 -19.154 14.500 66.116 1.00 30.01 N +ATOM 603 CA GLU A 299 -18.275 14.452 64.963 1.00 29.05 C +ATOM 604 C GLU A 299 -18.630 13.241 64.130 1.00 28.21 C +ATOM 605 O GLU A 299 -18.797 13.333 62.917 1.00 27.51 O +ATOM 606 CB GLU A 299 -16.834 14.352 65.412 1.00 28.92 C +ATOM 607 CG GLU A 299 -16.405 15.534 66.239 1.00 30.85 C +ATOM 608 CD GLU A 299 -14.951 15.457 66.660 1.00 34.62 C +ATOM 609 OE1 GLU A 299 -14.457 14.351 67.009 1.00 33.51 O +ATOM 610 OE2 GLU A 299 -14.295 16.522 66.653 1.00 37.55 O +ATOM 611 N LEU A 300 -18.755 12.095 64.794 1.00 27.59 N +ATOM 612 CA LEU A 300 -19.092 10.854 64.093 1.00 27.08 C +ATOM 613 C LEU A 300 -20.446 10.926 63.376 1.00 26.69 C +ATOM 614 O LEU A 300 -20.555 10.575 62.215 1.00 26.58 O +ATOM 615 CB LEU A 300 -19.008 9.645 65.039 1.00 26.91 C +ATOM 616 CG LEU A 300 -19.432 8.297 64.466 1.00 26.74 C +ATOM 617 CD1 LEU A 300 -18.702 7.995 63.151 1.00 26.01 C +ATOM 618 CD2 LEU A 300 -19.210 7.187 65.474 1.00 26.73 C +ATOM 619 N SER A 301 -21.492 11.382 64.045 1.00 26.46 N +ATOM 620 CA SER A 301 -22.774 11.341 63.385 1.00 26.11 C +ATOM 621 C SER A 301 -22.781 12.242 62.172 1.00 25.59 C +ATOM 622 O SER A 301 -23.256 11.829 61.097 1.00 25.27 O +ATOM 623 CB SER A 301 -23.905 11.682 64.344 1.00 26.80 C +ATOM 624 OG SER A 301 -23.764 12.984 64.854 1.00 28.52 O +ATOM 625 N ALA A 302 -22.245 13.457 62.332 1.00 25.00 N +ATOM 626 CA ALA A 302 -22.113 14.409 61.204 1.00 24.61 C +ATOM 627 C ALA A 302 -21.487 13.752 59.971 1.00 24.37 C +ATOM 628 O ALA A 302 -22.019 13.864 58.879 1.00 24.17 O +ATOM 629 CB ALA A 302 -21.328 15.666 61.613 1.00 24.17 C +ATOM 630 N ALA A 303 -20.375 13.042 60.162 1.00 24.50 N +ATOM 631 CA ALA A 303 -19.661 12.380 59.067 1.00 24.66 C +ATOM 632 C ALA A 303 -20.439 11.186 58.566 1.00 24.95 C +ATOM 633 O ALA A 303 -20.480 10.889 57.360 1.00 25.45 O +ATOM 634 CB ALA A 303 -18.280 11.933 59.529 1.00 24.22 C +ATOM 635 N ARG A 304 -21.066 10.501 59.503 1.00 24.72 N +ATOM 636 CA ARG A 304 -21.823 9.313 59.186 1.00 25.27 C +ATOM 637 C ARG A 304 -22.990 9.678 58.245 1.00 25.38 C +ATOM 638 O ARG A 304 -23.330 8.927 57.320 1.00 25.78 O +ATOM 639 CB ARG A 304 -22.300 8.668 60.504 1.00 25.06 C +ATOM 640 CG ARG A 304 -22.721 7.200 60.429 1.00 24.73 C +ATOM 641 CD ARG A 304 -23.062 6.680 61.823 1.00 23.71 C +ATOM 642 NE ARG A 304 -23.929 7.594 62.568 1.00 23.98 N +ATOM 643 CZ ARG A 304 -23.860 7.774 63.885 1.00 24.41 C +ATOM 644 NH1 ARG A 304 -22.957 7.114 64.587 1.00 24.13 N +ATOM 645 NH2 ARG A 304 -24.679 8.623 64.502 1.00 23.89 N +ATOM 646 N LEU A 305 -23.593 10.837 58.479 1.00 25.20 N +ATOM 647 CA LEU A 305 -24.710 11.256 57.654 1.00 25.39 C +ATOM 648 C LEU A 305 -24.274 11.416 56.199 1.00 25.75 C +ATOM 649 O LEU A 305 -24.949 10.960 55.269 1.00 25.27 O +ATOM 650 CB LEU A 305 -25.306 12.572 58.177 1.00 25.09 C +ATOM 651 CG LEU A 305 -26.378 13.087 57.217 1.00 24.75 C +ATOM 652 CD1 LEU A 305 -27.540 12.046 57.100 1.00 23.15 C +ATOM 653 CD2 LEU A 305 -26.876 14.465 57.620 1.00 21.97 C +ATOM 654 N GLU A 306 -23.135 12.077 56.001 1.00 26.54 N +ATOM 655 CA GLU A 306 -22.659 12.389 54.662 1.00 27.06 C +ATOM 656 C GLU A 306 -22.168 11.126 53.983 1.00 28.16 C +ATOM 657 O GLU A 306 -22.361 10.920 52.784 1.00 28.51 O +ATOM 658 CB GLU A 306 -21.556 13.450 54.735 1.00 27.13 C +ATOM 659 CG GLU A 306 -22.032 14.780 55.307 1.00 27.15 C +ATOM 660 CD GLU A 306 -23.249 15.324 54.553 1.00 27.01 C +ATOM 661 OE1 GLU A 306 -23.290 15.216 53.311 1.00 26.19 O +ATOM 662 OE2 GLU A 306 -24.172 15.847 55.200 1.00 29.64 O +ATOM 663 N MET A 307 -21.557 10.249 54.761 1.00 29.40 N +ATOM 664 CA MET A 307 -21.127 8.966 54.226 1.00 30.82 C +ATOM 665 C MET A 307 -22.327 8.155 53.694 1.00 31.86 C +ATOM 666 O MET A 307 -22.241 7.518 52.651 1.00 31.93 O +ATOM 667 CB MET A 307 -20.325 8.182 55.283 1.00 30.81 C +ATOM 668 CG MET A 307 -18.989 8.854 55.695 1.00 31.16 C +ATOM 669 SD MET A 307 -18.288 8.189 57.234 1.00 31.98 S +ATOM 670 CE MET A 307 -18.032 6.535 56.657 1.00 23.17 C +ATOM 671 N ASN A 308 -23.447 8.182 54.413 1.00 33.36 N +ATOM 672 CA ASN A 308 -24.703 7.576 53.941 1.00 34.65 C +ATOM 673 C ASN A 308 -25.177 8.168 52.618 1.00 34.65 C +ATOM 674 O ASN A 308 -25.308 7.465 51.625 1.00 34.32 O +ATOM 675 CB ASN A 308 -25.815 7.753 54.986 1.00 35.12 C +ATOM 676 CG ASN A 308 -25.533 6.998 56.265 1.00 37.93 C +ATOM 677 OD1 ASN A 308 -24.842 5.969 56.247 1.00 40.72 O +ATOM 678 ND2 ASN A 308 -26.046 7.504 57.390 1.00 40.12 N +ATOM 679 N LYS A 309 -25.420 9.476 52.627 1.00 34.81 N +ATOM 680 CA LYS A 309 -25.942 10.200 51.473 1.00 34.80 C +ATOM 681 C LYS A 309 -25.058 10.088 50.262 1.00 35.00 C +ATOM 682 O LYS A 309 -25.526 10.209 49.143 1.00 35.12 O +ATOM 683 CB LYS A 309 -26.069 11.682 51.796 1.00 34.85 C +ATOM 684 CG LYS A 309 -26.583 11.932 53.196 1.00 35.66 C +ATOM 685 CD LYS A 309 -27.267 13.264 53.293 1.00 37.29 C +ATOM 686 CE LYS A 309 -26.460 14.320 52.584 1.00 38.88 C +ATOM 687 NZ LYS A 309 -26.646 15.642 53.257 1.00 40.90 N +ATOM 688 N ALA A 310 -23.762 9.925 50.477 1.00 34.96 N +ATOM 689 CA ALA A 310 -22.858 9.790 49.341 1.00 34.46 C +ATOM 690 C ALA A 310 -22.701 8.343 48.874 1.00 34.06 C +ATOM 691 O ALA A 310 -22.118 8.079 47.827 1.00 33.77 O +ATOM 692 CB ALA A 310 -21.489 10.394 49.673 1.00 34.51 C +ATOM 693 N GLY A 311 -23.199 7.405 49.671 1.00 33.84 N +ATOM 694 CA GLY A 311 -23.139 6.004 49.305 1.00 33.27 C +ATOM 695 C GLY A 311 -21.736 5.451 49.418 1.00 32.93 C +ATOM 696 O GLY A 311 -21.352 4.584 48.640 1.00 32.93 O +ATOM 697 N VAL A 312 -20.983 5.936 50.403 1.00 32.28 N +ATOM 698 CA VAL A 312 -19.601 5.512 50.622 1.00 31.79 C +ATOM 699 C VAL A 312 -19.581 4.076 51.137 1.00 31.63 C +ATOM 700 O VAL A 312 -20.382 3.707 52.000 1.00 31.61 O +ATOM 701 CB VAL A 312 -18.894 6.425 51.650 1.00 32.00 C +ATOM 702 CG1 VAL A 312 -17.601 5.802 52.117 1.00 31.39 C +ATOM 703 CG2 VAL A 312 -18.660 7.832 51.068 1.00 31.62 C +ATOM 704 N GLU A 313 -18.653 3.279 50.616 1.00 31.04 N +ATOM 705 CA GLU A 313 -18.606 1.849 50.890 1.00 30.83 C +ATOM 706 C GLU A 313 -17.231 1.372 51.360 1.00 29.50 C +ATOM 707 O GLU A 313 -17.038 0.182 51.567 1.00 29.98 O +ATOM 708 CB GLU A 313 -19.018 1.068 49.639 1.00 31.47 C +ATOM 709 CG GLU A 313 -20.457 1.292 49.222 1.00 34.79 C +ATOM 710 CD GLU A 313 -20.880 0.438 48.034 1.00 39.97 C +ATOM 711 OE1 GLU A 313 -20.019 0.093 47.186 1.00 42.37 O +ATOM 712 OE2 GLU A 313 -22.088 0.109 47.947 1.00 41.17 O +ATOM 713 N GLY A 314 -16.286 2.297 51.520 1.00 28.19 N +ATOM 714 CA GLY A 314 -14.923 1.983 51.927 1.00 26.15 C +ATOM 715 C GLY A 314 -14.099 3.254 52.038 1.00 25.67 C +ATOM 716 O GLY A 314 -14.619 4.357 51.827 1.00 24.54 O +ATOM 717 N THR A 315 -12.817 3.103 52.381 1.00 24.90 N +ATOM 718 CA THR A 315 -11.926 4.236 52.584 1.00 24.61 C +ATOM 719 C THR A 315 -10.615 3.919 51.918 1.00 23.97 C +ATOM 720 O THR A 315 -10.292 2.763 51.750 1.00 24.17 O +ATOM 721 CB THR A 315 -11.659 4.480 54.081 1.00 25.09 C +ATOM 722 OG1 THR A 315 -11.183 3.267 54.685 1.00 26.62 O +ATOM 723 CG2 THR A 315 -12.929 4.938 54.782 1.00 23.97 C +ATOM 724 N PRO A 316 -9.884 4.943 51.468 1.00 23.60 N +ATOM 725 CA PRO A 316 -10.362 6.317 51.421 1.00 23.44 C +ATOM 726 C PRO A 316 -11.462 6.505 50.363 1.00 23.53 C +ATOM 727 O PRO A 316 -11.529 5.747 49.392 1.00 23.77 O +ATOM 728 CB PRO A 316 -9.115 7.089 50.989 1.00 22.56 C +ATOM 729 CG PRO A 316 -8.337 6.139 50.210 1.00 22.74 C +ATOM 730 CD PRO A 316 -8.553 4.804 50.847 1.00 23.55 C +ATOM 731 N THR A 317 -12.291 7.528 50.547 1.00 23.55 N +ATOM 732 CA THR A 317 -13.188 8.005 49.501 1.00 23.77 C +ATOM 733 C THR A 317 -13.266 9.545 49.522 1.00 23.58 C +ATOM 734 O THR A 317 -13.488 10.150 50.559 1.00 23.45 O +ATOM 735 CB THR A 317 -14.601 7.427 49.682 1.00 24.16 C +ATOM 736 OG1 THR A 317 -14.579 6.014 49.430 1.00 24.37 O +ATOM 737 CG2 THR A 317 -15.594 8.104 48.726 1.00 24.25 C +ATOM 738 N LEU A 318 -13.055 10.179 48.377 1.00 23.68 N +ATOM 739 CA LEU A 318 -13.304 11.600 48.254 1.00 23.79 C +ATOM 740 C LEU A 318 -14.703 11.779 47.709 1.00 24.15 C +ATOM 741 O LEU A 318 -15.058 11.159 46.702 1.00 24.56 O +ATOM 742 CB LEU A 318 -12.326 12.213 47.264 1.00 23.60 C +ATOM 743 CG LEU A 318 -10.842 12.128 47.605 1.00 23.62 C +ATOM 744 CD1 LEU A 318 -10.039 12.921 46.579 1.00 23.16 C +ATOM 745 CD2 LEU A 318 -10.552 12.635 49.003 1.00 21.48 C +ATOM 746 N VAL A 319 -15.491 12.626 48.359 1.00 24.29 N +ATOM 747 CA VAL A 319 -16.824 12.974 47.868 1.00 24.94 C +ATOM 748 C VAL A 319 -16.864 14.446 47.457 1.00 24.99 C +ATOM 749 O VAL A 319 -16.579 15.335 48.255 1.00 24.77 O +ATOM 750 CB VAL A 319 -17.893 12.757 48.948 1.00 25.01 C +ATOM 751 CG1 VAL A 319 -19.279 13.144 48.415 1.00 25.23 C +ATOM 752 CG2 VAL A 319 -17.848 11.328 49.474 1.00 24.96 C +ATOM 753 N PHE A 320 -17.259 14.704 46.222 1.00 25.54 N +ATOM 754 CA PHE A 320 -17.246 16.066 45.691 1.00 25.61 C +ATOM 755 C PHE A 320 -18.569 16.813 45.868 1.00 26.11 C +ATOM 756 O PHE A 320 -19.613 16.369 45.387 1.00 25.99 O +ATOM 757 CB PHE A 320 -16.816 16.034 44.232 1.00 25.29 C +ATOM 758 CG PHE A 320 -15.392 15.608 44.049 1.00 24.37 C +ATOM 759 CD1 PHE A 320 -14.391 16.554 43.849 1.00 25.16 C +ATOM 760 CD2 PHE A 320 -15.043 14.267 44.097 1.00 23.72 C +ATOM 761 CE1 PHE A 320 -13.054 16.170 43.681 1.00 24.23 C +ATOM 762 CE2 PHE A 320 -13.715 13.871 43.942 1.00 23.30 C +ATOM 763 CZ PHE A 320 -12.724 14.814 43.727 1.00 24.01 C +ATOM 764 N TYR A 321 -18.513 17.934 46.587 1.00 26.05 N +ATOM 765 CA TYR A 321 -19.676 18.794 46.784 1.00 26.17 C +ATOM 766 C TYR A 321 -19.538 20.042 45.927 1.00 26.97 C +ATOM 767 O TYR A 321 -18.513 20.719 45.979 1.00 26.79 O +ATOM 768 CB TYR A 321 -19.812 19.215 48.256 1.00 25.59 C +ATOM 769 CG TYR A 321 -20.170 18.083 49.189 1.00 24.65 C +ATOM 770 CD1 TYR A 321 -21.461 17.954 49.707 1.00 24.14 C +ATOM 771 CD2 TYR A 321 -19.221 17.126 49.536 1.00 24.33 C +ATOM 772 CE1 TYR A 321 -21.807 16.891 50.565 1.00 23.44 C +ATOM 773 CE2 TYR A 321 -19.541 16.066 50.384 1.00 24.49 C +ATOM 774 CZ TYR A 321 -20.830 15.949 50.896 1.00 24.52 C +ATOM 775 OH TYR A 321 -21.117 14.902 51.737 1.00 23.88 O +ATOM 776 N LYS A 322 -20.563 20.333 45.131 1.00 27.98 N +ATOM 777 CA LYS A 322 -20.659 21.612 44.421 1.00 28.97 C +ATOM 778 C LYS A 322 -21.897 22.348 44.929 1.00 29.81 C +ATOM 779 O LYS A 322 -22.978 21.756 45.075 1.00 30.09 O +ATOM 780 CB LYS A 322 -20.725 21.404 42.903 1.00 29.07 C +ATOM 781 N GLU A 323 -21.742 23.628 45.239 1.00 30.41 N +ATOM 782 CA GLU A 323 -22.874 24.378 45.763 1.00 31.29 C +ATOM 783 C GLU A 323 -23.664 23.521 46.763 1.00 31.82 C +ATOM 784 O GLU A 323 -24.861 23.744 46.994 1.00 32.00 O +ATOM 785 CB GLU A 323 -23.780 24.876 44.622 1.00 31.18 C +ATOM 786 N GLY A 324 -22.994 22.545 47.378 1.00 32.00 N +ATOM 787 CA GLY A 324 -23.600 21.822 48.506 1.00 31.63 C +ATOM 788 C GLY A 324 -24.286 20.539 48.085 1.00 31.33 C +ATOM 789 O GLY A 324 -24.926 19.872 48.888 1.00 31.49 O +ATOM 790 N ARG A 325 -24.145 20.186 46.818 1.00 31.17 N +ATOM 791 CA ARG A 325 -24.701 18.947 46.327 1.00 31.36 C +ATOM 792 C ARG A 325 -23.567 17.981 46.020 1.00 31.34 C +ATOM 793 O ARG A 325 -22.508 18.390 45.546 1.00 31.04 O +ATOM 794 CB ARG A 325 -25.548 19.192 45.064 1.00 31.69 C +ATOM 795 N ILE A 326 -23.791 16.704 46.311 1.00 31.41 N +ATOM 796 CA ILE A 326 -22.829 15.655 45.997 1.00 31.65 C +ATOM 797 C ILE A 326 -22.856 15.366 44.507 1.00 31.69 C +ATOM 798 O ILE A 326 -23.890 14.996 43.978 1.00 32.16 O +ATOM 799 CB ILE A 326 -23.179 14.373 46.750 1.00 31.44 C +ATOM 800 CG1 ILE A 326 -23.065 14.627 48.260 1.00 31.95 C +ATOM 801 CG2 ILE A 326 -22.303 13.238 46.282 1.00 31.54 C +ATOM 802 CD1 ILE A 326 -23.597 13.519 49.149 1.00 30.60 C +ATOM 803 N VAL A 327 -21.731 15.531 43.821 1.00 31.90 N +ATOM 804 CA VAL A 327 -21.730 15.384 42.373 1.00 32.02 C +ATOM 805 C VAL A 327 -20.708 14.397 41.835 1.00 32.07 C +ATOM 806 O VAL A 327 -20.671 14.156 40.637 1.00 32.27 O +ATOM 807 CB VAL A 327 -21.425 16.719 41.679 1.00 32.29 C +ATOM 808 CG1 VAL A 327 -22.492 17.756 41.992 1.00 31.68 C +ATOM 809 CG2 VAL A 327 -20.052 17.188 42.083 1.00 31.74 C +ATOM 810 N ASP A 328 -19.843 13.868 42.690 1.00 31.94 N +ATOM 811 CA ASP A 328 -18.881 12.857 42.251 1.00 31.72 C +ATOM 812 C ASP A 328 -18.139 12.234 43.427 1.00 31.40 C +ATOM 813 O ASP A 328 -18.227 12.719 44.555 1.00 31.04 O +ATOM 814 CB ASP A 328 -17.880 13.431 41.247 1.00 31.70 C +ATOM 815 CG ASP A 328 -17.395 12.379 40.244 1.00 33.58 C +ATOM 816 OD1 ASP A 328 -17.832 11.203 40.344 1.00 31.05 O +ATOM 817 OD2 ASP A 328 -16.573 12.731 39.356 1.00 36.55 O +ATOM 818 N LYS A 329 -17.416 11.153 43.149 1.00 31.12 N +ATOM 819 CA LYS A 329 -16.636 10.468 44.157 1.00 31.07 C +ATOM 820 C LYS A 329 -15.378 9.985 43.502 1.00 31.16 C +ATOM 821 O LYS A 329 -15.373 9.743 42.304 1.00 31.46 O +ATOM 822 CB LYS A 329 -17.373 9.254 44.687 1.00 31.10 C +ATOM 823 CG LYS A 329 -18.611 9.583 45.510 1.00 31.53 C +ATOM 824 CD LYS A 329 -19.087 8.379 46.285 1.00 33.22 C +ATOM 825 CE LYS A 329 -19.915 7.437 45.426 1.00 35.64 C +ATOM 826 NZ LYS A 329 -20.356 6.260 46.245 1.00 36.33 N +ATOM 827 N LEU A 330 -14.316 9.842 44.290 1.00 30.43 N +ATOM 828 CA LEU A 330 -13.105 9.174 43.840 1.00 29.72 C +ATOM 829 C LEU A 330 -12.746 8.169 44.930 1.00 29.00 C +ATOM 830 O LEU A 330 -12.496 8.551 46.064 1.00 28.79 O +ATOM 831 CB LEU A 330 -11.987 10.190 43.640 1.00 29.49 C +ATOM 832 CG LEU A 330 -10.631 9.611 43.255 1.00 30.46 C +ATOM 833 CD1 LEU A 330 -10.794 8.702 42.042 1.00 31.07 C +ATOM 834 CD2 LEU A 330 -9.629 10.739 42.982 1.00 29.91 C +ATOM 835 N VAL A 331 -12.730 6.890 44.589 1.00 28.10 N +ATOM 836 CA VAL A 331 -12.583 5.846 45.581 1.00 27.54 C +ATOM 837 C VAL A 331 -11.209 5.192 45.557 1.00 27.33 C +ATOM 838 O VAL A 331 -10.722 4.815 44.498 1.00 27.45 O +ATOM 839 CB VAL A 331 -13.643 4.762 45.340 1.00 27.81 C +ATOM 840 CG1 VAL A 331 -13.481 3.619 46.325 1.00 27.81 C +ATOM 841 CG2 VAL A 331 -15.034 5.379 45.423 1.00 27.66 C +ATOM 842 N GLY A 332 -10.586 5.037 46.723 1.00 26.78 N +ATOM 843 CA GLY A 332 -9.318 4.298 46.800 1.00 26.23 C +ATOM 844 C GLY A 332 -8.096 5.202 46.773 1.00 26.04 C +ATOM 845 O GLY A 332 -8.213 6.388 46.450 1.00 26.02 O +ATOM 846 N ALA A 333 -6.938 4.665 47.156 1.00 25.09 N +ATOM 847 CA ALA A 333 -5.707 5.423 47.066 1.00 24.75 C +ATOM 848 C ALA A 333 -5.402 5.748 45.603 1.00 25.08 C +ATOM 849 O ALA A 333 -5.573 4.905 44.720 1.00 25.16 O +ATOM 850 CB ALA A 333 -4.561 4.639 47.676 1.00 24.58 C +ATOM 851 N THR A 334 -4.935 6.966 45.332 1.00 25.11 N +ATOM 852 CA THR A 334 -4.520 7.339 43.971 1.00 24.75 C +ATOM 853 C THR A 334 -3.386 8.345 44.040 1.00 24.44 C +ATOM 854 O THR A 334 -3.179 8.970 45.068 1.00 24.46 O +ATOM 855 CB THR A 334 -5.672 8.011 43.161 1.00 24.98 C +ATOM 856 OG1 THR A 334 -5.808 9.388 43.551 1.00 25.16 O +ATOM 857 CG2 THR A 334 -6.993 7.305 43.396 1.00 23.71 C +ATOM 858 N PRO A 335 -2.652 8.509 42.937 1.00 23.79 N +ATOM 859 CA PRO A 335 -1.653 9.574 42.912 1.00 23.67 C +ATOM 860 C PRO A 335 -2.370 10.908 42.990 1.00 23.22 C +ATOM 861 O PRO A 335 -3.524 11.014 42.602 1.00 23.64 O +ATOM 862 CB PRO A 335 -0.966 9.409 41.548 1.00 23.21 C +ATOM 863 CG PRO A 335 -1.975 8.658 40.691 1.00 23.93 C +ATOM 864 CD PRO A 335 -2.777 7.792 41.657 1.00 24.00 C +ATOM 865 N TRP A 336 -1.690 11.918 43.491 1.00 23.44 N +ATOM 866 CA TRP A 336 -2.327 13.214 43.701 1.00 23.50 C +ATOM 867 C TRP A 336 -2.746 13.889 42.411 1.00 23.75 C +ATOM 868 O TRP A 336 -3.686 14.691 42.407 1.00 23.88 O +ATOM 869 CB TRP A 336 -1.460 14.141 44.561 1.00 23.08 C +ATOM 870 CG TRP A 336 -0.143 14.605 44.026 1.00 22.28 C +ATOM 871 CD1 TRP A 336 1.089 14.116 44.338 1.00 21.77 C +ATOM 872 CD2 TRP A 336 0.082 15.718 43.153 1.00 22.91 C +ATOM 873 NE1 TRP A 336 2.060 14.834 43.702 1.00 21.84 N +ATOM 874 CE2 TRP A 336 1.466 15.821 42.960 1.00 22.11 C +ATOM 875 CE3 TRP A 336 -0.762 16.622 42.503 1.00 23.49 C +ATOM 876 CZ2 TRP A 336 2.032 16.790 42.142 1.00 24.29 C +ATOM 877 CZ3 TRP A 336 -0.204 17.573 41.689 1.00 23.70 C +ATOM 878 CH2 TRP A 336 1.181 17.653 41.513 1.00 24.56 C +ATOM 879 N SER A 337 -2.080 13.536 41.314 1.00 24.38 N +ATOM 880 CA SER A 337 -2.435 14.028 39.970 1.00 24.82 C +ATOM 881 C SER A 337 -3.905 13.760 39.628 1.00 24.60 C +ATOM 882 O SER A 337 -4.628 14.630 39.124 1.00 24.38 O +ATOM 883 CB SER A 337 -1.519 13.376 38.916 1.00 25.47 C +ATOM 884 OG SER A 337 -1.783 11.985 38.800 1.00 26.21 O +ATOM 885 N LEU A 338 -4.347 12.552 39.946 1.00 24.55 N +ATOM 886 CA LEU A 338 -5.692 12.118 39.645 1.00 24.69 C +ATOM 887 C LEU A 338 -6.746 12.871 40.474 1.00 24.52 C +ATOM 888 O LEU A 338 -7.815 13.215 39.955 1.00 24.87 O +ATOM 889 CB LEU A 338 -5.771 10.604 39.869 1.00 25.22 C +ATOM 890 CG LEU A 338 -6.452 9.779 38.772 1.00 26.71 C +ATOM 891 CD1 LEU A 338 -6.070 8.312 38.885 1.00 27.54 C +ATOM 892 CD2 LEU A 338 -7.946 9.939 38.881 1.00 29.22 C +ATOM 893 N LYS A 339 -6.419 13.152 41.740 1.00 23.89 N +ATOM 894 CA LYS A 339 -7.220 14.017 42.585 1.00 23.53 C +ATOM 895 C LYS A 339 -7.303 15.450 42.034 1.00 23.92 C +ATOM 896 O LYS A 339 -8.358 16.083 42.060 1.00 23.54 O +ATOM 897 CB LYS A 339 -6.653 14.061 44.003 1.00 23.44 C +ATOM 898 CG LYS A 339 -5.963 12.805 44.474 1.00 21.88 C +ATOM 899 CD LYS A 339 -5.766 12.896 45.990 1.00 21.59 C +ATOM 900 CE LYS A 339 -5.083 11.657 46.581 1.00 20.78 C +ATOM 901 NZ LYS A 339 -5.872 10.398 46.401 1.00 18.65 N +ATOM 902 N VAL A 340 -6.191 15.967 41.535 1.00 24.37 N +ATOM 903 CA VAL A 340 -6.169 17.331 41.016 1.00 25.03 C +ATOM 904 C VAL A 340 -7.015 17.456 39.749 1.00 25.32 C +ATOM 905 O VAL A 340 -7.763 18.421 39.573 1.00 25.15 O +ATOM 906 CB VAL A 340 -4.709 17.812 40.794 1.00 25.15 C +ATOM 907 CG1 VAL A 340 -4.671 19.124 40.052 1.00 25.41 C +ATOM 908 CG2 VAL A 340 -3.992 17.945 42.143 1.00 24.62 C +ATOM 909 N GLU A 341 -6.924 16.455 38.886 1.00 26.13 N +ATOM 910 CA GLU A 341 -7.744 16.416 37.669 1.00 26.97 C +ATOM 911 C GLU A 341 -9.228 16.411 37.980 1.00 27.26 C +ATOM 912 O GLU A 341 -10.027 17.106 37.338 1.00 27.22 O +ATOM 913 CB GLU A 341 -7.431 15.168 36.844 1.00 26.54 C +ATOM 914 CG GLU A 341 -6.161 15.269 36.040 1.00 26.98 C +ATOM 915 CD GLU A 341 -5.766 13.950 35.420 1.00 29.93 C +ATOM 916 OE1 GLU A 341 -6.615 13.021 35.319 1.00 30.20 O +ATOM 917 OE2 GLU A 341 -4.589 13.839 35.034 1.00 31.32 O +ATOM 918 N LYS A 342 -9.611 15.591 38.944 1.00 27.55 N +ATOM 919 CA LYS A 342 -11.017 15.524 39.276 1.00 28.06 C +ATOM 920 C LYS A 342 -11.497 16.886 39.800 1.00 27.84 C +ATOM 921 O LYS A 342 -12.550 17.342 39.421 1.00 27.94 O +ATOM 922 CB LYS A 342 -11.301 14.367 40.248 1.00 28.07 C +ATOM 923 CG LYS A 342 -12.759 14.237 40.702 1.00 30.23 C +ATOM 924 CD LYS A 342 -13.676 13.646 39.641 1.00 33.92 C +ATOM 925 CE LYS A 342 -13.099 12.359 39.057 1.00 35.82 C +ATOM 926 NZ LYS A 342 -13.714 12.087 37.725 1.00 36.22 N +ATOM 927 N ALA A 343 -10.717 17.545 40.651 1.00 28.10 N +ATOM 928 CA ALA A 343 -11.085 18.870 41.166 1.00 28.02 C +ATOM 929 C ALA A 343 -11.266 19.927 40.050 1.00 28.60 C +ATOM 930 O ALA A 343 -12.250 20.687 40.034 1.00 28.34 O +ATOM 931 CB ALA A 343 -10.054 19.341 42.195 1.00 27.82 C +ATOM 932 N ARG A 344 -10.317 19.974 39.120 1.00 28.78 N +ATOM 933 CA ARG A 344 -10.418 20.860 37.955 1.00 29.80 C +ATOM 934 C ARG A 344 -11.638 20.592 37.059 1.00 30.20 C +ATOM 935 O ARG A 344 -12.364 21.495 36.663 1.00 30.16 O +ATOM 936 CB ARG A 344 -9.146 20.748 37.133 1.00 29.29 C +ATOM 937 CG ARG A 344 -7.970 21.296 37.859 1.00 29.50 C +ATOM 938 CD ARG A 344 -6.666 20.837 37.234 1.00 28.90 C +ATOM 939 NE ARG A 344 -5.545 21.535 37.855 1.00 29.21 N +ATOM 940 CZ ARG A 344 -4.288 21.453 37.433 1.00 28.16 C +ATOM 941 NH1 ARG A 344 -3.991 20.699 36.390 1.00 28.09 N +ATOM 942 NH2 ARG A 344 -3.335 22.115 38.055 1.00 25.95 N +ATOM 943 N GLU A 345 -11.845 19.337 36.724 1.00 31.54 N +ATOM 944 CA GLU A 345 -13.056 18.923 36.043 1.00 32.84 C +ATOM 945 C GLU A 345 -14.304 19.511 36.698 1.00 32.98 C +ATOM 946 O GLU A 345 -15.219 19.983 36.016 1.00 33.10 O +ATOM 947 CB GLU A 345 -13.137 17.412 36.127 1.00 33.23 C +ATOM 948 CG GLU A 345 -14.143 16.734 35.242 1.00 36.88 C +ATOM 949 CD GLU A 345 -14.061 15.211 35.374 1.00 41.11 C +ATOM 950 OE1 GLU A 345 -12.953 14.687 35.669 1.00 41.30 O +ATOM 951 OE2 GLU A 345 -15.102 14.541 35.182 1.00 43.86 O +ATOM 952 N ILE A 346 -14.356 19.464 38.025 1.00 32.84 N +ATOM 953 CA ILE A 346 -15.566 19.845 38.747 1.00 32.55 C +ATOM 954 C ILE A 346 -15.667 21.298 39.191 1.00 32.39 C +ATOM 955 O ILE A 346 -16.763 21.832 39.302 1.00 32.18 O +ATOM 956 CB ILE A 346 -15.741 18.991 39.994 1.00 32.82 C +ATOM 957 CG1 ILE A 346 -16.268 17.612 39.599 1.00 32.51 C +ATOM 958 CG2 ILE A 346 -16.668 19.696 40.995 1.00 32.07 C +ATOM 959 CD1 ILE A 346 -15.671 16.508 40.396 1.00 32.44 C +ATOM 960 N TYR A 347 -14.540 21.930 39.488 1.00 32.24 N +ATOM 961 CA TYR A 347 -14.581 23.322 39.943 1.00 31.99 C +ATOM 962 C TYR A 347 -13.889 24.239 38.941 1.00 32.61 C +ATOM 963 O TYR A 347 -13.682 25.426 39.220 1.00 33.35 O +ATOM 964 CB TYR A 347 -13.947 23.478 41.336 1.00 31.35 C +ATOM 965 CG TYR A 347 -14.499 22.507 42.360 1.00 30.45 C +ATOM 966 CD1 TYR A 347 -15.741 22.720 42.963 1.00 28.77 C +ATOM 967 CD2 TYR A 347 -13.784 21.354 42.709 1.00 28.95 C +ATOM 968 CE1 TYR A 347 -16.249 21.815 43.891 1.00 26.48 C +ATOM 969 CE2 TYR A 347 -14.284 20.453 43.621 1.00 26.35 C +ATOM 970 CZ TYR A 347 -15.511 20.693 44.206 1.00 25.90 C +ATOM 971 OH TYR A 347 -15.991 19.794 45.108 1.00 25.76 O +TER 972 TYR A 347 +END diff --git a/bench/main_benchmark/structures/SFB_FS_NTRC2_1NY3A_3DZEA/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_NTRC2_1NY3A_3DZEA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..21a5cab9376231eaf18c2318a2751061fc2f4c94 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_NTRC2_1NY3A_3DZEA/state_a.pdb @@ -0,0 +1,2182 @@ +ATOM 1 N PHE A 46 214.820 109.707 179.069 1.00118.35 N +ATOM 2 CA PHE A 46 214.336 108.388 178.678 1.00109.39 C +ATOM 3 C PHE A 46 215.483 107.382 178.556 1.00 92.52 C +ATOM 4 O PHE A 46 216.008 107.116 177.483 1.00 93.11 O +ATOM 5 CB PHE A 46 213.617 108.523 177.335 1.00106.31 C +ATOM 6 CG PHE A 46 212.712 107.345 177.122 1.00100.53 C +ATOM 7 CD1 PHE A 46 213.246 106.138 176.688 1.00 94.28 C +ATOM 8 CD2 PHE A 46 211.347 107.468 177.345 1.00 81.06 C +ATOM 9 CE1 PHE A 46 212.408 105.049 176.480 1.00 71.80 C +ATOM 10 CE2 PHE A 46 210.515 106.370 177.135 1.00 83.85 C +ATOM 11 CZ PHE A 46 211.041 105.159 176.704 1.00 54.26 C +ATOM 12 N HIS A 47 215.896 106.847 179.719 1.00 99.95 N +ATOM 13 CA HIS A 47 216.976 105.867 179.715 1.00110.68 C +ATOM 14 C HIS A 47 216.467 104.473 179.342 1.00 99.74 C +ATOM 15 O HIS A 47 215.591 103.903 179.979 1.00108.34 O +ATOM 16 CB HIS A 47 217.598 105.835 181.111 1.00128.34 C +ATOM 17 CG HIS A 47 217.973 107.234 181.527 1.00172.75 C +ATOM 18 ND1 HIS A 47 219.157 107.813 181.211 1.00209.78 N +ATOM 19 CD2 HIS A 47 217.216 108.147 182.270 1.00195.55 C +ATOM 20 CE1 HIS A 47 219.113 109.047 181.749 1.00214.52 C +ATOM 21 NE2 HIS A 47 217.963 109.275 182.389 1.00216.85 N +ATOM 22 N VAL A 48 217.023 103.942 178.238 1.00 93.29 N +ATOM 23 CA VAL A 48 216.620 102.613 177.798 1.00 69.76 C +ATOM 24 C VAL A 48 217.795 101.841 177.194 1.00 72.39 C +ATOM 25 O VAL A 48 218.595 102.370 176.434 1.00 67.87 O +ATOM 26 CB VAL A 48 215.510 102.770 176.757 1.00 60.38 C +ATOM 27 CG1 VAL A 48 215.345 101.470 175.973 1.00 76.52 C +ATOM 28 CG2 VAL A 48 214.200 103.110 177.443 1.00 87.98 C +ATOM 29 N LYS A 49 217.962 100.570 177.519 1.00 63.04 N +ATOM 30 CA LYS A 49 219.047 99.811 176.921 1.00 61.31 C +ATOM 31 C LYS A 49 218.424 98.945 175.833 1.00 56.33 C +ATOM 32 O LYS A 49 217.205 98.904 175.688 1.00 61.95 O +ATOM 33 CB LYS A 49 219.741 98.923 177.947 1.00 46.86 C +ATOM 34 CG LYS A 49 220.349 99.673 179.103 1.00 52.81 C +ATOM 35 CD LYS A 49 221.201 100.796 178.607 1.00 52.94 C +ATOM 36 CE LYS A 49 222.255 101.150 179.627 1.00106.42 C +ATOM 37 NZ LYS A 49 223.200 102.166 179.091 1.00117.49 N +ATOM 38 N SER A 50 219.258 98.248 175.073 1.00 67.67 N +ATOM 39 CA SER A 50 218.768 97.403 173.994 1.00 61.19 C +ATOM 40 C SER A 50 218.240 96.087 174.484 1.00 62.93 C +ATOM 41 O SER A 50 218.661 95.592 175.528 1.00 78.88 O +ATOM 42 CB SER A 50 219.875 97.119 172.994 1.00 59.19 C +ATOM 43 OG SER A 50 220.167 98.279 172.248 1.00125.35 O +ATOM 44 N GLY A 51 217.318 95.516 173.718 1.00 62.13 N +ATOM 45 CA GLY A 51 216.773 94.223 174.070 1.00 45.10 C +ATOM 46 C GLY A 51 217.728 93.155 173.571 1.00 32.66 C +ATOM 47 O GLY A 51 218.558 93.420 172.709 1.00 72.20 O +ATOM 48 N LEU A 52 217.634 91.951 174.114 1.00 65.04 N +ATOM 49 CA LEU A 52 218.509 90.868 173.671 1.00 48.78 C +ATOM 50 C LEU A 52 218.154 90.388 172.252 1.00 54.66 C +ATOM 51 O LEU A 52 216.986 90.340 171.866 1.00 70.19 O +ATOM 52 CB LEU A 52 218.420 89.677 174.635 1.00 67.84 C +ATOM 53 CG LEU A 52 219.214 88.431 174.227 1.00 72.80 C +ATOM 54 CD1 LEU A 52 220.719 88.700 174.309 1.00 57.35 C +ATOM 55 CD2 LEU A 52 218.844 87.283 175.128 1.00 66.63 C +ATOM 56 N GLN A 53 219.170 90.031 171.477 1.00 68.12 N +ATOM 57 CA GLN A 53 218.958 89.546 170.125 1.00 54.88 C +ATOM 58 C GLN A 53 219.752 88.291 169.858 1.00 40.76 C +ATOM 59 O GLN A 53 220.978 88.278 169.936 1.00 66.36 O +ATOM 60 CB GLN A 53 219.372 90.588 169.115 1.00 47.08 C +ATOM 61 CG GLN A 53 219.428 90.042 167.731 1.00 60.85 C +ATOM 62 CD GLN A 53 220.160 90.974 166.832 1.00 80.61 C +ATOM 63 OE1 GLN A 53 220.236 90.753 165.627 1.00 99.15 O +ATOM 64 NE2 GLN A 53 220.723 92.031 167.411 1.00 83.94 N +ATOM 65 N ILE A 54 219.050 87.233 169.508 1.00 60.15 N +ATOM 66 CA ILE A 54 219.705 85.971 169.238 1.00 52.14 C +ATOM 67 C ILE A 54 220.190 85.896 167.802 1.00 51.88 C +ATOM 68 O ILE A 54 219.433 85.575 166.893 1.00 58.79 O +ATOM 69 CB ILE A 54 218.743 84.814 169.552 1.00 64.06 C +ATOM 70 CG1 ILE A 54 218.312 84.924 171.010 1.00 33.87 C +ATOM 71 CG2 ILE A 54 219.412 83.479 169.315 1.00 39.67 C +ATOM 72 CD1 ILE A 54 217.727 83.680 171.535 1.00 82.78 C +ATOM 73 N LYS A 55 221.464 86.197 167.611 1.00 48.72 N +ATOM 74 CA LYS A 55 222.064 86.182 166.287 1.00 49.52 C +ATOM 75 C LYS A 55 222.019 84.808 165.633 1.00 56.72 C +ATOM 76 O LYS A 55 222.270 83.808 166.283 1.00 70.19 O +ATOM 77 CB LYS A 55 223.512 86.661 166.383 1.00 51.25 C +ATOM 78 CG LYS A 55 223.628 88.111 166.815 1.00 49.44 C +ATOM 79 CD LYS A 55 225.059 88.584 166.817 1.00 89.37 C +ATOM 80 CE LYS A 55 225.114 90.085 167.040 1.00 73.14 C +ATOM 81 NZ LYS A 55 226.521 90.612 167.008 1.00123.08 N +ATOM 82 N LYS A 56 221.710 84.758 164.343 1.00 41.46 N +ATOM 83 CA LYS A 56 221.644 83.482 163.643 1.00 66.57 C +ATOM 84 C LYS A 56 222.839 83.118 162.767 1.00 55.67 C +ATOM 85 O LYS A 56 223.028 81.945 162.455 1.00 66.55 O +ATOM 86 CB LYS A 56 220.379 83.413 162.793 1.00 48.95 C +ATOM 87 CG LYS A 56 219.242 82.751 163.486 1.00 57.91 C +ATOM 88 CD LYS A 56 219.248 83.157 164.927 1.00 78.89 C +ATOM 89 CE LYS A 56 217.907 82.899 165.554 1.00 71.88 C +ATOM 90 NZ LYS A 56 216.873 83.764 164.935 1.00 82.07 N +ATOM 91 N ASN A 57 223.640 84.096 162.361 1.00 48.62 N +ATOM 92 CA ASN A 57 224.788 83.802 161.508 1.00 52.30 C +ATOM 93 C ASN A 57 225.851 83.039 162.261 1.00 40.32 C +ATOM 94 O ASN A 57 225.977 83.197 163.467 1.00 58.36 O +ATOM 95 CB ASN A 57 225.380 85.083 161.004 1.00 42.83 C +ATOM 96 CG ASN A 57 225.743 86.007 162.123 1.00 73.68 C +ATOM 97 OD1 ASN A 57 224.859 86.577 162.794 1.00 48.52 O +ATOM 98 ND2 ASN A 57 227.056 86.182 162.340 1.00 36.35 N +ATOM 99 N ALA A 58 226.627 82.223 161.558 1.00 41.49 N +ATOM 100 CA ALA A 58 227.661 81.432 162.214 1.00 44.46 C +ATOM 101 C ALA A 58 228.613 82.283 163.040 1.00 44.31 C +ATOM 102 O ALA A 58 229.267 83.173 162.516 1.00 45.45 O +ATOM 103 CB ALA A 58 228.438 80.641 161.194 1.00 32.48 C +ATOM 104 N ILE A 59 228.694 81.998 164.334 1.00 46.98 N +ATOM 105 CA ILE A 59 229.569 82.753 165.228 1.00 54.79 C +ATOM 106 C ILE A 59 231.007 82.870 164.670 1.00 63.43 C +ATOM 107 O ILE A 59 231.766 83.777 165.035 1.00 47.27 O +ATOM 108 CB ILE A 59 229.605 82.094 166.638 1.00 53.52 C +ATOM 109 CG1 ILE A 59 230.284 83.012 167.644 1.00 55.42 C +ATOM 110 CG2 ILE A 59 230.376 80.791 166.588 1.00 40.15 C +ATOM 111 CD1 ILE A 59 230.311 82.446 169.038 1.00 57.36 C +ATOM 112 N ILE A 60 231.375 81.956 163.777 1.00 43.08 N +ATOM 113 CA ILE A 60 232.743 81.902 163.274 1.00 57.78 C +ATOM 114 C ILE A 60 233.086 83.151 162.458 1.00 60.65 C +ATOM 115 O ILE A 60 234.226 83.590 162.377 1.00 72.20 O +ATOM 116 CB ILE A 60 232.866 80.659 162.393 1.00 38.44 C +ATOM 117 CG1 ILE A 60 231.615 80.513 161.518 1.00 50.72 C +ATOM 118 CG2 ILE A 60 232.965 79.403 163.277 1.00 49.86 C +ATOM 119 CD1 ILE A 60 231.798 79.479 160.407 1.00 46.70 C +ATOM 120 N ASP A 61 232.044 83.704 161.811 1.00 32.79 N +ATOM 121 CA ASP A 61 232.254 84.863 160.953 1.00 58.81 C +ATOM 122 C ASP A 61 232.607 86.117 161.758 1.00 50.10 C +ATOM 123 O ASP A 61 233.397 86.956 161.346 1.00 78.45 O +ATOM 124 CB ASP A 61 230.972 85.093 160.149 1.00 36.95 C +ATOM 125 CG ASP A 61 230.476 83.758 159.608 1.00 91.42 C +ATOM 126 OD1 ASP A 61 229.268 83.636 159.400 1.00 76.09 O +ATOM 127 OD2 ASP A 61 231.293 82.864 159.405 1.00122.26 O +ATOM 128 N ASP A 62 231.954 86.250 162.929 1.00 62.40 N +ATOM 129 CA ASP A 62 232.213 87.422 163.761 1.00 63.46 C +ATOM 130 C ASP A 62 233.328 87.164 164.778 1.00 43.90 C +ATOM 131 O ASP A 62 233.994 88.071 165.261 1.00 74.39 O +ATOM 132 CB ASP A 62 230.918 87.786 164.492 1.00 33.21 C +ATOM 133 CG ASP A 62 229.843 88.135 163.473 1.00 76.80 C +ATOM 134 OD1 ASP A 62 230.116 88.979 162.618 1.00 99.65 O +ATOM 135 OD2 ASP A 62 228.754 87.573 163.546 1.00 84.30 O +ATOM 136 N TYR A 63 233.493 85.877 165.132 1.00 44.70 N +ATOM 137 CA TYR A 63 234.482 85.539 166.148 1.00 62.53 C +ATOM 138 C TYR A 63 235.502 84.519 165.641 1.00 58.43 C +ATOM 139 O TYR A 63 235.388 83.956 164.561 1.00 79.42 O +ATOM 140 CB TYR A 63 233.742 84.965 167.358 1.00 50.79 C +ATOM 141 CG TYR A 63 233.100 86.068 168.120 1.00 44.26 C +ATOM 142 CD1 TYR A 63 233.802 86.709 169.136 1.00 34.66 C +ATOM 143 CD2 TYR A 63 231.800 86.477 167.811 1.00 37.87 C +ATOM 144 CE1 TYR A 63 233.220 87.758 169.831 1.00 27.94 C +ATOM 145 CE2 TYR A 63 231.215 87.521 168.512 1.00 34.56 C +ATOM 146 CZ TYR A 63 231.916 88.158 169.519 1.00 56.82 C +ATOM 147 OH TYR A 63 231.353 89.224 170.192 1.00 41.90 O +ATOM 148 N LYS A 64 236.554 84.325 166.455 1.00 69.78 N +ATOM 149 CA LYS A 64 237.542 83.306 166.129 1.00 60.63 C +ATOM 150 C LYS A 64 237.831 82.420 167.340 1.00 67.37 C +ATOM 151 O LYS A 64 238.259 82.882 168.389 1.00 66.71 O +ATOM 152 CB LYS A 64 238.825 84.004 165.673 1.00 85.98 C +ATOM 153 CG LYS A 64 240.084 83.232 166.078 1.00 68.10 C +ATOM 154 CD LYS A 64 240.235 81.914 165.315 1.00 96.02 C +ATOM 155 CE LYS A 64 241.289 80.993 165.941 1.00159.06 C +ATOM 156 NZ LYS A 64 241.422 79.778 165.141 1.00151.29 N +ATOM 157 N VAL A 65 237.271 81.240 167.130 1.00 54.82 N +ATOM 158 CA VAL A 65 237.148 80.288 168.220 1.00 65.09 C +ATOM 159 C VAL A 65 238.437 79.492 168.298 1.00 65.21 C +ATOM 160 O VAL A 65 238.945 79.029 167.282 1.00 79.23 O +ATOM 161 CB VAL A 65 235.960 79.329 168.000 1.00 53.30 C +ATOM 162 CG1 VAL A 65 235.948 78.263 169.075 1.00 68.94 C +ATOM 163 CG2 VAL A 65 234.659 80.104 168.039 1.00 50.00 C +ATOM 164 N THR A 66 238.971 79.338 169.502 1.00 60.78 N +ATOM 165 CA THR A 66 240.214 78.602 169.680 1.00 73.39 C +ATOM 166 C THR A 66 240.032 77.346 170.515 1.00 76.31 C +ATOM 167 O THR A 66 238.969 77.107 171.080 1.00 77.40 O +ATOM 168 CB THR A 66 241.267 79.462 170.376 1.00 65.28 C +ATOM 169 OG1 THR A 66 241.150 79.289 171.798 1.00 71.85 O +ATOM 170 CG2 THR A 66 241.067 80.944 170.016 1.00 64.31 C +ATOM 171 N SER A 67 241.092 76.554 170.602 1.00 86.86 N +ATOM 172 CA SER A 67 241.065 75.318 171.369 1.00 86.84 C +ATOM 173 C SER A 67 241.359 75.528 172.838 1.00 78.98 C +ATOM 174 O SER A 67 241.140 74.631 173.646 1.00 92.44 O +ATOM 175 CB SER A 67 242.082 74.338 170.818 1.00 77.74 C +ATOM 176 OG SER A 67 241.681 73.901 169.540 1.00131.17 O +ATOM 177 N GLN A 68 241.868 76.702 173.185 1.00 65.34 N +ATOM 178 CA GLN A 68 242.187 76.981 174.571 1.00 79.87 C +ATOM 179 C GLN A 68 240.955 76.819 175.448 1.00 75.61 C +ATOM 180 O GLN A 68 239.849 77.197 175.067 1.00 70.47 O +ATOM 181 CB GLN A 68 242.760 78.387 174.704 1.00 76.67 C +ATOM 182 CG GLN A 68 243.238 78.724 176.100 1.00 86.58 C +ATOM 183 CD GLN A 68 244.346 79.757 176.087 1.00151.90 C +ATOM 184 OE1 GLN A 68 244.745 80.271 177.134 1.00147.03 O +ATOM 185 NE2 GLN A 68 244.860 80.060 174.895 1.00166.06 N +ATOM 186 N VAL A 69 241.155 76.244 176.625 1.00 70.23 N +ATOM 187 CA VAL A 69 240.064 76.013 177.552 1.00 73.71 C +ATOM 188 C VAL A 69 240.157 76.908 178.775 1.00 65.57 C +ATOM 189 O VAL A 69 241.009 76.704 179.639 1.00 83.31 O +ATOM 190 CB VAL A 69 240.064 74.564 178.023 1.00 69.41 C +ATOM 191 CG1 VAL A 69 238.896 74.324 178.952 1.00 51.08 C +ATOM 192 CG2 VAL A 69 240.017 73.648 176.830 1.00 57.48 C +ATOM 193 N LEU A 70 239.276 77.899 178.847 1.00 74.02 N +ATOM 194 CA LEU A 70 239.259 78.816 179.977 1.00 88.16 C +ATOM 195 C LEU A 70 238.865 78.039 181.227 1.00 94.93 C +ATOM 196 O LEU A 70 239.171 78.458 182.343 1.00 86.96 O +ATOM 197 CB LEU A 70 238.268 79.956 179.718 1.00 80.15 C +ATOM 198 CG LEU A 70 238.660 81.015 178.680 1.00 66.85 C +ATOM 199 CD1 LEU A 70 237.420 81.668 178.097 1.00 90.30 C +ATOM 200 CD2 LEU A 70 239.553 82.049 179.322 1.00 79.20 C +ATOM 201 N GLY A 71 238.194 76.903 181.035 1.00 87.34 N +ATOM 202 CA GLY A 71 237.781 76.089 182.166 1.00 87.75 C +ATOM 203 C GLY A 71 236.707 75.077 181.825 1.00 83.77 C +ATOM 204 O GLY A 71 236.158 75.111 180.730 1.00 84.32 O +ATOM 205 N LEU A 72 236.405 74.175 182.757 1.00 88.68 N +ATOM 206 CA LEU A 72 235.381 73.155 182.534 1.00 82.29 C +ATOM 207 C LEU A 72 234.225 73.239 183.509 1.00 73.28 C +ATOM 208 O LEU A 72 234.318 73.871 184.557 1.00 95.04 O +ATOM 209 CB LEU A 72 235.976 71.751 182.621 1.00 77.46 C +ATOM 210 CG LEU A 72 236.877 71.305 181.473 1.00 94.19 C +ATOM 211 CD1 LEU A 72 237.217 69.818 181.595 1.00139.26 C +ATOM 212 CD2 LEU A 72 236.150 71.568 180.172 1.00109.03 C +ATOM 213 N GLY A 73 233.133 72.577 183.158 1.00 77.98 N +ATOM 214 CA GLY A 73 231.963 72.592 184.013 1.00 71.81 C +ATOM 215 C GLY A 73 230.762 71.853 183.446 1.00 99.78 C +ATOM 216 O GLY A 73 230.843 71.171 182.418 1.00 93.36 O +ATOM 217 N ILE A 74 229.635 72.004 184.136 1.00112.58 N +ATOM 218 CA ILE A 74 228.376 71.365 183.765 1.00114.50 C +ATOM 219 C ILE A 74 228.103 71.259 182.270 1.00110.24 C +ATOM 220 O ILE A 74 227.890 70.162 181.750 1.00 94.78 O +ATOM 221 CB ILE A 74 227.189 72.085 184.439 1.00120.25 C +ATOM 222 CG1 ILE A 74 227.145 71.707 185.921 1.00127.29 C +ATOM 223 CG2 ILE A 74 225.889 71.745 183.724 1.00110.29 C +ATOM 224 CD1 ILE A 74 225.968 72.285 186.673 1.00178.93 C +ATOM 225 N ASN A 75 228.106 72.393 181.580 1.00113.84 N +ATOM 226 CA ASN A 75 227.844 72.395 180.148 1.00108.71 C +ATOM 227 C ASN A 75 229.044 72.005 179.296 1.00100.52 C +ATOM 228 O ASN A 75 228.935 71.858 178.079 1.00102.09 O +ATOM 229 CB ASN A 75 227.303 73.756 179.736 1.00 95.22 C +ATOM 230 CG ASN A 75 225.898 73.967 180.225 1.00 84.98 C +ATOM 231 OD1 ASN A 75 224.966 73.315 179.749 1.00 88.40 O +ATOM 232 ND2 ASN A 75 225.730 74.858 181.199 1.00112.62 N +ATOM 233 N GLY A 76 230.186 71.820 179.940 1.00 99.31 N +ATOM 234 CA GLY A 76 231.360 71.428 179.198 1.00 93.20 C +ATOM 235 C GLY A 76 232.489 72.428 179.282 1.00 96.95 C +ATOM 236 O GLY A 76 232.666 73.117 180.285 1.00101.12 O +ATOM 237 N LYS A 77 233.258 72.506 178.205 1.00 82.50 N +ATOM 238 CA LYS A 77 234.386 73.409 178.146 1.00 79.18 C +ATOM 239 C LYS A 77 233.986 74.820 177.757 1.00 66.93 C +ATOM 240 O LYS A 77 233.189 75.025 176.852 1.00 79.35 O +ATOM 241 CB LYS A 77 235.410 72.872 177.160 1.00 78.70 C +ATOM 242 N VAL A 78 234.523 75.794 178.470 1.00 57.33 N +ATOM 243 CA VAL A 78 234.267 77.179 178.150 1.00 49.75 C +ATOM 244 C VAL A 78 235.512 77.620 177.410 1.00 79.35 C +ATOM 245 O VAL A 78 236.545 77.888 178.028 1.00 64.43 O +ATOM 246 CB VAL A 78 234.138 78.020 179.386 1.00 54.95 C +ATOM 247 CG1 VAL A 78 234.267 79.482 179.023 1.00 45.00 C +ATOM 248 CG2 VAL A 78 232.810 77.742 180.029 1.00 52.90 C +ATOM 249 N LEU A 79 235.414 77.692 176.087 1.00 70.72 N +ATOM 250 CA LEU A 79 236.538 78.073 175.245 1.00 61.89 C +ATOM 251 C LEU A 79 236.825 79.563 175.185 1.00 64.76 C +ATOM 252 O LEU A 79 235.930 80.394 175.360 1.00 63.50 O +ATOM 253 CB LEU A 79 236.292 77.599 173.825 1.00 51.24 C +ATOM 254 CG LEU A 79 235.907 76.149 173.599 1.00 64.90 C +ATOM 255 CD1 LEU A 79 235.543 75.983 172.139 1.00 49.75 C +ATOM 256 CD2 LEU A 79 237.052 75.236 173.978 1.00 80.17 C +ATOM 257 N GLN A 80 238.090 79.889 174.919 1.00 72.17 N +ATOM 258 CA GLN A 80 238.505 81.274 174.765 1.00 77.62 C +ATOM 259 C GLN A 80 238.376 81.604 173.288 1.00 66.11 C +ATOM 260 O GLN A 80 238.775 80.813 172.437 1.00 64.63 O +ATOM 261 CB GLN A 80 239.955 81.486 175.167 1.00 52.97 C +ATOM 262 CG GLN A 80 240.390 82.913 174.863 1.00 93.41 C +ATOM 263 CD GLN A 80 241.715 83.310 175.494 1.00115.14 C +ATOM 264 OE1 GLN A 80 242.038 84.502 175.567 1.00116.65 O +ATOM 265 NE2 GLN A 80 242.490 82.322 175.949 1.00117.09 N +ATOM 266 N ILE A 81 237.792 82.754 172.982 1.00 57.33 N +ATOM 267 CA ILE A 81 237.629 83.150 171.596 1.00 57.32 C +ATOM 268 C ILE A 81 238.109 84.571 171.400 1.00 54.90 C +ATOM 269 O ILE A 81 238.310 85.320 172.362 1.00 61.04 O +ATOM 270 CB ILE A 81 236.160 83.072 171.114 1.00 62.17 C +ATOM 271 CG1 ILE A 81 235.289 84.050 171.897 1.00 51.03 C +ATOM 272 CG2 ILE A 81 235.628 81.679 171.285 1.00 42.99 C +ATOM 273 CD1 ILE A 81 233.852 84.088 171.391 1.00 59.46 C +ATOM 274 N PHE A 82 238.287 84.930 170.131 1.00 70.25 N +ATOM 275 CA PHE A 82 238.753 86.251 169.763 1.00 55.36 C +ATOM 276 C PHE A 82 237.815 86.911 168.787 1.00 62.80 C +ATOM 277 O PHE A 82 237.287 86.260 167.874 1.00 65.67 O +ATOM 278 CB PHE A 82 240.145 86.152 169.152 1.00 42.74 C +ATOM 279 CG PHE A 82 241.197 85.862 170.151 1.00 59.25 C +ATOM 280 CD1 PHE A 82 241.639 86.857 170.999 1.00 44.66 C +ATOM 281 CD2 PHE A 82 241.687 84.576 170.314 1.00 37.34 C +ATOM 282 CE1 PHE A 82 242.552 86.576 171.999 1.00 57.81 C +ATOM 283 CE2 PHE A 82 242.604 84.286 171.315 1.00 54.82 C +ATOM 284 CZ PHE A 82 243.032 85.287 172.156 1.00 58.83 C +ATOM 285 N ASN A 83 237.592 88.205 168.997 1.00 52.27 N +ATOM 286 CA ASN A 83 236.746 88.954 168.104 1.00 66.04 C +ATOM 287 C ASN A 83 237.605 89.492 166.971 1.00 53.09 C +ATOM 288 O ASN A 83 238.453 90.346 167.171 1.00 64.85 O +ATOM 289 CB ASN A 83 236.093 90.099 168.830 1.00 47.48 C +ATOM 290 CG ASN A 83 235.214 90.902 167.924 1.00 67.70 C +ATOM 291 OD1 ASN A 83 235.689 91.744 167.160 1.00 72.99 O +ATOM 292 ND2 ASN A 83 233.915 90.632 167.977 1.00 70.38 N +ATOM 293 N LYS A 84 237.383 88.974 165.774 1.00 63.87 N +ATOM 294 CA LYS A 84 238.133 89.376 164.590 1.00 68.20 C +ATOM 295 C LYS A 84 238.366 90.876 164.450 1.00 61.51 C +ATOM 296 O LYS A 84 239.492 91.340 164.537 1.00 74.81 O +ATOM 297 CB LYS A 84 237.412 88.859 163.345 1.00 55.26 C +ATOM 298 CG LYS A 84 237.312 87.343 163.283 1.00 33.38 C +ATOM 299 CD LYS A 84 236.425 86.918 162.154 1.00 30.89 C +ATOM 300 CE LYS A 84 236.759 85.521 161.719 1.00 46.41 C +ATOM 301 NZ LYS A 84 236.028 85.182 160.476 1.00 72.55 N +ATOM 302 N ARG A 85 237.290 91.622 164.235 1.00 63.12 N +ATOM 303 CA ARG A 85 237.359 93.066 164.043 1.00 51.69 C +ATOM 304 C ARG A 85 237.905 93.905 165.183 1.00 58.02 C +ATOM 305 O ARG A 85 238.197 95.075 164.991 1.00 86.09 O +ATOM 306 CB ARG A 85 235.978 93.589 163.647 1.00 60.23 C +ATOM 307 CG ARG A 85 235.862 95.086 163.509 1.00 76.93 C +ATOM 308 CD ARG A 85 235.516 95.725 164.835 1.00 84.92 C +ATOM 309 NE ARG A 85 234.121 96.140 164.907 1.00 93.42 N +ATOM 310 CZ ARG A 85 233.541 96.634 165.997 1.00103.30 C +ATOM 311 NH1 ARG A 85 234.224 96.777 167.128 1.00 54.02 N +ATOM 312 NH2 ARG A 85 232.268 96.998 165.949 1.00119.53 N +ATOM 313 N THR A 86 238.050 93.339 166.370 1.00 64.72 N +ATOM 314 CA THR A 86 238.565 94.123 167.489 1.00 54.27 C +ATOM 315 C THR A 86 239.717 93.398 168.140 1.00 52.40 C +ATOM 316 O THR A 86 240.520 93.980 168.856 1.00 57.78 O +ATOM 317 CB THR A 86 237.468 94.392 168.536 1.00 58.63 C +ATOM 318 OG1 THR A 86 236.471 95.246 167.968 1.00 54.24 O +ATOM 319 CG2 THR A 86 238.045 95.084 169.743 1.00 98.48 C +ATOM 320 N GLN A 87 239.772 92.106 167.883 1.00 54.70 N +ATOM 321 CA GLN A 87 240.819 91.260 168.397 1.00 49.69 C +ATOM 322 C GLN A 87 240.875 91.131 169.927 1.00 63.54 C +ATOM 323 O GLN A 87 241.936 90.881 170.491 1.00 78.48 O +ATOM 324 CB GLN A 87 242.148 91.761 167.854 1.00 44.04 C +ATOM 325 CG GLN A 87 243.145 90.675 167.561 1.00 87.54 C +ATOM 326 CD GLN A 87 242.722 89.811 166.413 1.00 70.54 C +ATOM 327 OE1 GLN A 87 243.394 88.840 166.083 1.00 95.76 O +ATOM 328 NE2 GLN A 87 241.601 90.157 165.789 1.00 75.13 N +ATOM 329 N GLU A 88 239.746 91.291 170.608 1.00 57.33 N +ATOM 330 CA GLU A 88 239.751 91.135 172.060 1.00 69.04 C +ATOM 331 C GLU A 88 239.352 89.723 172.442 1.00 68.23 C +ATOM 332 O GLU A 88 238.622 89.060 171.702 1.00 70.57 O +ATOM 333 CB GLU A 88 238.816 92.138 172.708 1.00 73.60 C +ATOM 334 CG GLU A 88 239.297 93.538 172.480 1.00111.93 C +ATOM 335 CD GLU A 88 240.559 93.845 173.228 1.00130.01 C +ATOM 336 OE1 GLU A 88 240.728 93.298 174.344 1.00151.01 O +ATOM 337 OE2 GLU A 88 241.376 94.634 172.698 1.00169.07 O +ATOM 338 N LYS A 89 239.837 89.261 173.592 1.00 80.21 N +ATOM 339 CA LYS A 89 239.543 87.904 174.047 1.00 67.45 C +ATOM 340 C LYS A 89 238.171 87.815 174.709 1.00 67.74 C +ATOM 341 O LYS A 89 237.719 88.752 175.355 1.00 71.95 O +ATOM 342 CB LYS A 89 240.632 87.424 175.013 1.00 46.26 C +ATOM 343 N PHE A 90 237.504 86.681 174.537 1.00 68.69 N +ATOM 344 CA PHE A 90 236.195 86.481 175.128 1.00 63.31 C +ATOM 345 C PHE A 90 235.957 85.019 175.477 1.00 70.09 C +ATOM 346 O PHE A 90 236.571 84.121 174.892 1.00 76.39 O +ATOM 347 CB PHE A 90 235.100 86.935 174.169 1.00 52.49 C +ATOM 348 CG PHE A 90 234.975 88.434 174.031 1.00 61.34 C +ATOM 349 CD1 PHE A 90 235.523 89.091 172.952 1.00 63.36 C +ATOM 350 CD2 PHE A 90 234.238 89.170 174.942 1.00 60.92 C +ATOM 351 CE1 PHE A 90 235.330 90.429 172.781 1.00 38.41 C +ATOM 352 CE2 PHE A 90 234.048 90.529 174.762 1.00 57.58 C +ATOM 353 CZ PHE A 90 234.591 91.155 173.683 1.00 50.60 C +ATOM 354 N ALA A 91 235.055 84.788 176.431 1.00 67.69 N +ATOM 355 CA ALA A 91 234.692 83.444 176.853 1.00 44.28 C +ATOM 356 C ALA A 91 233.480 83.000 176.052 1.00 45.25 C +ATOM 357 O ALA A 91 232.569 83.788 175.795 1.00 60.93 O +ATOM 358 CB ALA A 91 234.360 83.443 178.302 1.00 52.11 C +ATOM 359 N LEU A 92 233.477 81.736 175.653 1.00 48.94 N +ATOM 360 CA LEU A 92 232.381 81.179 174.882 1.00 50.98 C +ATOM 361 C LEU A 92 231.771 79.995 175.610 1.00 66.99 C +ATOM 362 O LEU A 92 232.467 79.045 175.939 1.00 82.82 O +ATOM 363 CB LEU A 92 232.886 80.710 173.536 1.00 39.13 C +ATOM 364 CG LEU A 92 231.838 79.857 172.839 1.00 52.58 C +ATOM 365 CD1 LEU A 92 230.636 80.726 172.548 1.00 48.33 C +ATOM 366 CD2 LEU A 92 232.404 79.256 171.557 1.00 58.60 C +ATOM 367 N LYS A 93 230.469 80.053 175.856 1.00 66.30 N +ATOM 368 CA LYS A 93 229.650 79.022 176.486 1.00 62.11 C +ATOM 369 C LYS A 93 228.624 78.440 175.508 1.00 61.26 C +ATOM 370 O LYS A 93 227.945 79.148 174.774 1.00 77.67 O +ATOM 371 CB LYS A 93 228.936 79.645 177.689 1.00 79.47 C +ATOM 372 CG LYS A 93 228.640 78.617 178.785 1.00 69.18 C +ATOM 373 CD LYS A 93 227.896 79.231 179.974 1.00 74.19 C +ATOM 374 CE LYS A 93 227.871 78.303 181.194 1.00107.78 C +ATOM 375 NZ LYS A 93 228.986 78.626 182.083 1.00 92.73 N +ATOM 376 N MET A 94 228.551 77.095 175.489 1.00 53.94 N +ATOM 377 CA MET A 94 227.639 76.436 174.560 1.00 63.34 C +ATOM 378 C MET A 94 226.517 75.693 175.290 1.00 67.05 C +ATOM 379 O MET A 94 226.740 74.805 176.101 1.00 77.93 O +ATOM 380 CB MET A 94 228.447 75.451 173.713 1.00 54.57 C +ATOM 381 CG MET A 94 229.751 76.056 173.188 1.00 66.95 C +ATOM 382 SD MET A 94 230.855 74.810 172.511 1.00128.32 S +ATOM 383 CE MET A 94 231.935 75.912 171.587 1.00110.84 C +ATOM 384 N LEU A 95 225.273 76.116 174.999 1.00 76.30 N +ATOM 385 CA LEU A 95 224.126 75.468 175.626 1.00 47.37 C +ATOM 386 C LEU A 95 223.284 74.703 174.601 1.00 61.07 C +ATOM 387 O LEU A 95 223.143 75.102 173.452 1.00 66.44 O +ATOM 388 CB LEU A 95 223.276 76.549 176.295 1.00 56.39 C +ATOM 389 CG LEU A 95 224.057 77.342 177.346 1.00 78.66 C +ATOM 390 CD1 LEU A 95 223.138 78.105 178.302 1.00 71.39 C +ATOM 391 CD2 LEU A 95 224.941 76.453 178.221 1.00 68.93 C +ATOM 392 N GLN A 96 222.574 73.621 174.890 1.00 60.77 N +ATOM 393 CA GLN A 96 221.662 73.075 173.906 1.00 63.29 C +ATOM 394 C GLN A 96 220.493 74.049 173.876 1.00 63.17 C +ATOM 395 O GLN A 96 219.998 74.481 174.915 1.00 63.30 O +ATOM 396 CB GLN A 96 221.193 71.700 174.326 1.00 70.27 C +ATOM 397 N ASP A 97 220.056 74.415 172.686 1.00 59.87 N +ATOM 398 CA ASP A 97 218.950 75.343 172.589 1.00 58.98 C +ATOM 399 C ASP A 97 217.669 74.640 173.022 1.00 73.48 C +ATOM 400 O ASP A 97 217.277 73.626 172.448 1.00 75.22 O +ATOM 401 CB ASP A 97 218.831 75.843 171.157 1.00 68.14 C +ATOM 402 CG ASP A 97 217.933 77.038 171.045 1.00 73.65 C +ATOM 403 OD1 ASP A 97 217.516 77.567 172.096 1.00 68.14 O +ATOM 404 OD2 ASP A 97 217.647 77.451 169.906 1.00 80.65 O +ATOM 405 N CYS A 98 217.023 75.189 174.041 1.00 67.24 N +ATOM 406 CA CYS A 98 215.801 74.626 174.586 1.00 52.14 C +ATOM 407 C CYS A 98 215.258 75.697 175.510 1.00 75.99 C +ATOM 408 O CYS A 98 216.018 76.483 176.068 1.00 86.44 O +ATOM 409 CB CYS A 98 216.122 73.415 175.421 1.00 52.47 C +ATOM 410 SG CYS A 98 216.922 73.906 176.969 1.00 68.25 S +ATOM 411 N PRO A 99 213.939 75.722 175.717 1.00 81.29 N +ATOM 412 CA PRO A 99 213.283 76.705 176.578 1.00 85.87 C +ATOM 413 C PRO A 99 213.996 77.083 177.868 1.00 82.76 C +ATOM 414 O PRO A 99 214.153 78.268 178.149 1.00 67.85 O +ATOM 415 CB PRO A 99 211.926 76.073 176.821 1.00 94.07 C +ATOM 416 CG PRO A 99 211.642 75.452 175.492 1.00 91.19 C +ATOM 417 CD PRO A 99 212.959 74.756 175.201 1.00 93.97 C +ATOM 418 N LYS A 100 214.435 76.098 178.648 1.00 67.78 N +ATOM 419 CA LYS A 100 215.100 76.408 179.912 1.00 66.60 C +ATOM 420 C LYS A 100 216.341 77.236 179.702 1.00 80.42 C +ATOM 421 O LYS A 100 216.622 78.158 180.472 1.00 69.23 O +ATOM 422 CB LYS A 100 215.473 75.088 180.595 1.00 84.50 C +ATOM 423 N ALA A 101 217.085 76.885 178.656 1.00 76.33 N +ATOM 424 CA ALA A 101 218.320 77.570 178.319 1.00 66.38 C +ATOM 425 C ALA A 101 218.055 79.028 177.964 1.00 67.87 C +ATOM 426 O ALA A 101 218.639 79.922 178.563 1.00 70.18 O +ATOM 427 CB ALA A 101 219.022 76.849 177.175 1.00 55.84 C +ATOM 428 N ARG A 102 217.163 79.277 177.014 1.00 63.42 N +ATOM 429 CA ARG A 102 216.852 80.646 176.622 1.00 64.85 C +ATOM 430 C ARG A 102 216.409 81.491 177.812 1.00 68.04 C +ATOM 431 O ARG A 102 216.523 82.715 177.785 1.00 87.14 O +ATOM 432 CB ARG A 102 215.764 80.665 175.541 1.00 58.29 C +ATOM 433 CG ARG A 102 216.118 79.877 174.290 1.00 87.87 C +ATOM 434 CD ARG A 102 215.938 80.688 173.003 1.00113.57 C +ATOM 435 NE ARG A 102 216.532 80.000 171.853 1.00149.75 N +ATOM 436 CZ ARG A 102 216.645 80.517 170.626 1.00161.97 C +ATOM 437 NH1 ARG A 102 216.200 81.742 170.361 1.00169.18 N +ATOM 438 NH2 ARG A 102 217.209 79.808 169.658 1.00123.53 N +ATOM 439 N ARG A 103 215.900 80.848 178.856 1.00 68.81 N +ATOM 440 CA ARG A 103 215.456 81.579 180.040 1.00 80.79 C +ATOM 441 C ARG A 103 216.664 82.065 180.812 1.00 74.21 C +ATOM 442 O ARG A 103 216.757 83.229 181.192 1.00 79.04 O +ATOM 443 CB ARG A 103 214.620 80.684 180.943 1.00100.01 C +ATOM 444 CG ARG A 103 214.334 81.302 182.299 1.00140.54 C +ATOM 445 CD ARG A 103 213.451 80.396 183.152 1.00186.85 C +ATOM 446 NE ARG A 103 214.159 79.246 183.721 1.00183.90 N +ATOM 447 CZ ARG A 103 213.851 77.974 183.469 1.00163.96 C +ATOM 448 NH1 ARG A 103 212.848 77.669 182.641 1.00 83.48 N +ATOM 449 NH2 ARG A 103 214.523 77.008 184.082 1.00172.74 N +ATOM 450 N GLU A 104 217.584 81.143 181.047 1.00 62.81 N +ATOM 451 CA GLU A 104 218.821 81.431 181.750 1.00 74.19 C +ATOM 452 C GLU A 104 219.481 82.643 181.094 1.00 76.22 C +ATOM 453 O GLU A 104 219.642 83.699 181.711 1.00 64.24 O +ATOM 454 CB GLU A 104 219.722 80.210 181.633 1.00 84.57 C +ATOM 455 CG GLU A 104 221.043 80.286 182.342 1.00113.52 C +ATOM 456 CD GLU A 104 221.832 79.002 182.167 1.00109.63 C +ATOM 457 OE1 GLU A 104 222.923 78.879 182.757 1.00143.02 O +ATOM 458 OE2 GLU A 104 221.358 78.112 181.430 1.00133.75 O +ATOM 459 N VAL A 105 219.845 82.462 179.828 1.00 72.46 N +ATOM 460 CA VAL A 105 220.488 83.485 179.010 1.00 67.75 C +ATOM 461 C VAL A 105 219.830 84.846 179.164 1.00 71.54 C +ATOM 462 O VAL A 105 220.506 85.851 179.366 1.00 75.44 O +ATOM 463 CB VAL A 105 220.450 83.096 177.524 1.00 70.64 C +ATOM 464 CG1 VAL A 105 221.057 84.183 176.695 1.00 60.07 C +ATOM 465 CG2 VAL A 105 221.196 81.796 177.312 1.00 75.62 C +ATOM 466 N GLU A 106 218.511 84.879 179.055 1.00 56.08 N +ATOM 467 CA GLU A 106 217.795 86.126 179.198 1.00 58.27 C +ATOM 468 C GLU A 106 218.087 86.715 180.569 1.00 62.94 C +ATOM 469 O GLU A 106 218.474 87.873 180.682 1.00 69.82 O +ATOM 470 CB GLU A 106 216.301 85.893 179.081 1.00 60.31 C +ATOM 471 CG GLU A 106 215.588 86.837 178.156 1.00 75.77 C +ATOM 472 CD GLU A 106 215.465 86.257 176.774 1.00 90.69 C +ATOM 473 OE1 GLU A 106 216.490 86.211 176.072 1.00127.18 O +ATOM 474 OE2 GLU A 106 214.352 85.823 176.393 1.00144.79 O +ATOM 475 N LEU A 107 217.896 85.921 181.617 1.00 59.54 N +ATOM 476 CA LEU A 107 218.132 86.409 182.964 1.00 60.25 C +ATOM 477 C LEU A 107 219.503 87.050 183.098 1.00 79.14 C +ATOM 478 O LEU A 107 219.649 88.148 183.623 1.00 55.44 O +ATOM 479 CB LEU A 107 218.013 85.269 183.967 1.00 82.80 C +ATOM 480 CG LEU A 107 216.618 84.741 184.297 1.00 74.03 C +ATOM 481 CD1 LEU A 107 216.740 83.679 185.368 1.00 68.79 C +ATOM 482 CD2 LEU A 107 215.731 85.866 184.783 1.00 64.45 C +ATOM 483 N HIS A 108 220.514 86.351 182.614 1.00 68.47 N +ATOM 484 CA HIS A 108 221.875 86.840 182.691 1.00 60.51 C +ATOM 485 C HIS A 108 222.058 88.075 181.819 1.00 51.27 C +ATOM 486 O HIS A 108 222.721 89.035 182.208 1.00 70.90 O +ATOM 487 CB HIS A 108 222.817 85.732 182.252 1.00 74.21 C +ATOM 488 CG HIS A 108 224.261 86.055 182.447 1.00 58.20 C +ATOM 489 ND1 HIS A 108 225.260 85.149 182.176 1.00 56.15 N +ATOM 490 CD2 HIS A 108 224.875 87.176 182.891 1.00 56.76 C +ATOM 491 CE1 HIS A 108 226.429 85.699 182.446 1.00 52.10 C +ATOM 492 NE2 HIS A 108 226.224 86.928 182.881 1.00 52.02 N +ATOM 493 N TRP A 109 221.480 88.046 180.628 1.00 57.29 N +ATOM 494 CA TRP A 109 221.633 89.219 179.779 1.00 60.60 C +ATOM 495 C TRP A 109 220.952 90.440 180.401 1.00 49.86 C +ATOM 496 O TRP A 109 221.365 91.583 180.231 1.00 77.39 O +ATOM 497 CB TRP A 109 221.000 88.905 178.423 1.00 58.21 C +ATOM 498 CG TRP A 109 220.711 90.158 177.691 1.00 62.11 C +ATOM 499 CD1 TRP A 109 219.493 90.874 177.686 1.00 77.34 C +ATOM 500 CD2 TRP A 109 221.631 90.902 176.855 1.00 77.76 C +ATOM 501 NE1 TRP A 109 219.557 92.006 176.931 1.00 78.01 N +ATOM 502 CE2 TRP A 109 220.933 92.041 176.375 1.00 87.90 C +ATOM 503 CE3 TRP A 109 222.954 90.700 176.473 1.00105.10 C +ATOM 504 CZ2 TRP A 109 221.572 92.943 175.540 1.00127.04 C +ATOM 505 CZ3 TRP A 109 223.594 91.606 175.640 1.00107.99 C +ATOM 506 CH2 TRP A 109 222.895 92.731 175.167 1.00111.87 C +ATOM 507 N ARG A 110 219.845 90.163 181.113 1.00 63.80 N +ATOM 508 CA ARG A 110 219.102 91.243 181.753 1.00 60.39 C +ATOM 509 C ARG A 110 219.807 91.738 183.019 1.00 56.74 C +ATOM 510 O ARG A 110 219.416 92.713 183.648 1.00 72.39 O +ATOM 511 CB ARG A 110 217.714 90.704 182.108 1.00 55.11 C +ATOM 512 CG ARG A 110 216.630 91.781 182.038 1.00 70.18 C +ATOM 513 CD ARG A 110 215.241 91.177 181.803 1.00129.88 C +ATOM 514 NE ARG A 110 214.340 91.500 182.914 1.00 98.93 N +ATOM 515 CZ ARG A 110 214.072 90.515 183.794 1.00 97.18 C +ATOM 516 NH1 ARG A 110 213.537 90.802 184.969 1.00106.39 N +ATOM 517 NH2 ARG A 110 214.325 89.245 183.464 1.00 84.21 N +ATOM 518 N ALA A 111 220.864 90.997 183.409 1.00 61.92 N +ATOM 519 CA ALA A 111 221.578 91.358 184.628 1.00 62.44 C +ATOM 520 C ALA A 111 223.023 91.776 184.343 1.00 78.96 C +ATOM 521 O ALA A 111 223.808 92.067 185.237 1.00 57.41 O +ATOM 522 CB ALA A 111 221.559 90.151 185.567 1.00 53.16 C +ATOM 523 N SER A 112 223.377 91.758 183.046 1.00 76.17 N +ATOM 524 CA SER A 112 224.737 92.128 182.670 1.00 71.16 C +ATOM 525 C SER A 112 224.979 93.632 182.825 1.00 64.82 C +ATOM 526 O SER A 112 226.104 94.113 182.806 1.00 63.34 O +ATOM 527 CB SER A 112 224.963 91.711 181.216 1.00 45.39 C +ATOM 528 OG SER A 112 224.992 90.282 181.135 1.00 81.43 O +ATOM 529 N GLN A 113 223.918 94.403 182.989 1.00 73.53 N +ATOM 530 CA GLN A 113 224.071 95.835 183.163 1.00 77.61 C +ATOM 531 C GLN A 113 224.644 96.132 184.545 1.00 70.17 C +ATOM 532 O GLN A 113 224.884 97.280 184.884 1.00 88.91 O +ATOM 533 CB GLN A 113 222.716 96.537 183.006 1.00 79.72 C +ATOM 534 CG GLN A 113 221.947 96.134 181.754 1.00117.37 C +ATOM 535 CD GLN A 113 222.616 96.582 180.448 1.00132.38 C +ATOM 536 OE1 GLN A 113 222.305 96.060 179.363 1.00 85.14 O +ATOM 537 NE2 GLN A 113 223.522 97.558 180.542 1.00 73.13 N +ATOM 538 N CYS A 114 224.854 95.098 185.348 1.00 77.28 N +ATOM 539 CA CYS A 114 225.395 95.280 186.692 1.00 65.33 C +ATOM 540 C CYS A 114 226.896 95.029 186.750 1.00 66.81 C +ATOM 541 O CYS A 114 227.365 93.910 186.553 1.00 70.94 O +ATOM 542 CB CYS A 114 224.699 94.346 187.679 1.00 68.99 C +ATOM 543 SG CYS A 114 225.606 94.158 189.225 1.00 70.19 S +ATOM 544 N PRO A 115 227.665 96.073 187.058 1.00 57.36 N +ATOM 545 CA PRO A 115 229.123 96.082 187.171 1.00 46.75 C +ATOM 546 C PRO A 115 229.770 94.790 187.650 1.00 60.90 C +ATOM 547 O PRO A 115 230.735 94.315 187.046 1.00 79.32 O +ATOM 548 CB PRO A 115 229.382 97.226 188.140 1.00 46.54 C +ATOM 549 CG PRO A 115 228.325 98.199 187.764 1.00 65.08 C +ATOM 550 CD PRO A 115 227.093 97.329 187.569 1.00 53.52 C +ATOM 551 N HIS A 116 229.242 94.217 188.726 1.00 50.47 N +ATOM 552 CA HIS A 116 229.827 93.015 189.294 1.00 62.43 C +ATOM 553 C HIS A 116 229.336 91.675 188.787 1.00 62.85 C +ATOM 554 O HIS A 116 229.654 90.634 189.366 1.00 86.03 O +ATOM 555 CB HIS A 116 229.709 93.085 190.804 1.00 66.18 C +ATOM 556 CG HIS A 116 230.547 94.163 191.405 1.00 74.19 C +ATOM 557 ND1 HIS A 116 231.923 94.104 191.422 1.00 58.68 N +ATOM 558 CD2 HIS A 116 230.214 95.360 191.945 1.00 50.93 C +ATOM 559 CE1 HIS A 116 232.404 95.220 191.945 1.00106.08 C +ATOM 560 NE2 HIS A 116 231.386 95.999 192.269 1.00 97.40 N +ATOM 561 N ILE A 117 228.574 91.693 187.703 1.00 58.07 N +ATOM 562 CA ILE A 117 228.075 90.472 187.097 1.00 51.42 C +ATOM 563 C ILE A 117 228.790 90.375 185.769 1.00 57.68 C +ATOM 564 O ILE A 117 228.912 91.381 185.056 1.00 72.95 O +ATOM 565 CB ILE A 117 226.586 90.572 186.848 1.00 60.05 C +ATOM 566 CG1 ILE A 117 225.867 90.676 188.193 1.00 65.42 C +ATOM 567 CG2 ILE A 117 226.111 89.371 186.050 1.00 56.83 C +ATOM 568 CD1 ILE A 117 224.420 91.064 188.100 1.00 76.80 C +ATOM 569 N VAL A 118 229.275 89.188 185.427 1.00 60.67 N +ATOM 570 CA VAL A 118 229.979 89.028 184.160 1.00 56.50 C +ATOM 571 C VAL A 118 229.008 89.416 183.044 1.00 62.86 C +ATOM 572 O VAL A 118 227.844 89.008 183.071 1.00 61.80 O +ATOM 573 CB VAL A 118 230.469 87.583 183.975 1.00 59.65 C +ATOM 574 CG1 VAL A 118 229.288 86.642 183.812 1.00 58.62 C +ATOM 575 CG2 VAL A 118 231.389 87.503 182.776 1.00 72.68 C +ATOM 576 N ARG A 119 229.483 90.204 182.075 1.00 59.87 N +ATOM 577 CA ARG A 119 228.635 90.694 180.988 1.00 63.38 C +ATOM 578 C ARG A 119 228.551 89.821 179.763 1.00 57.05 C +ATOM 579 O ARG A 119 229.546 89.276 179.314 1.00 63.34 O +ATOM 580 CB ARG A 119 229.083 92.079 180.566 1.00 37.88 C +ATOM 581 N ILE A 120 227.348 89.698 179.217 1.00 52.84 N +ATOM 582 CA ILE A 120 227.135 88.928 178.002 1.00 55.21 C +ATOM 583 C ILE A 120 227.227 89.914 176.847 1.00 56.02 C +ATOM 584 O ILE A 120 226.375 90.801 176.719 1.00 61.19 O +ATOM 585 CB ILE A 120 225.742 88.298 177.985 1.00 63.39 C +ATOM 586 CG1 ILE A 120 225.707 87.100 178.931 1.00 59.03 C +ATOM 587 CG2 ILE A 120 225.368 87.898 176.570 1.00 45.00 C +ATOM 588 CD1 ILE A 120 224.390 86.384 178.896 1.00 71.76 C +ATOM 589 N VAL A 121 228.259 89.766 176.013 1.00 69.54 N +ATOM 590 CA VAL A 121 228.440 90.647 174.863 1.00 53.54 C +ATOM 591 C VAL A 121 227.432 90.354 173.743 1.00 53.36 C +ATOM 592 O VAL A 121 226.823 91.254 173.173 1.00 67.91 O +ATOM 593 CB VAL A 121 229.875 90.482 174.354 1.00 52.53 C +ATOM 594 CG1 VAL A 121 230.153 91.471 173.224 1.00 91.60 C +ATOM 595 CG2 VAL A 121 230.854 90.737 175.486 1.00 71.15 C +ATOM 596 N ASP A 122 227.299 89.060 173.389 1.00 45.30 N +ATOM 597 CA ASP A 122 226.149 88.676 172.567 1.00 76.20 C +ATOM 598 C ASP A 122 225.984 87.152 172.459 1.00 52.20 C +ATOM 599 O ASP A 122 226.852 86.378 172.842 1.00 62.83 O +ATOM 600 CB ASP A 122 226.337 89.280 171.173 1.00 81.39 C +ATOM 601 CG ASP A 122 227.687 88.850 170.615 1.00 72.92 C +ATOM 602 OD1 ASP A 122 228.224 87.860 171.115 1.00121.42 O +ATOM 603 OD2 ASP A 122 228.183 89.500 169.698 1.00 55.20 O +ATOM 604 N VAL A 123 224.777 86.769 171.999 1.00 50.00 N +ATOM 605 CA VAL A 123 224.398 85.361 171.982 1.00 55.40 C +ATOM 606 C VAL A 123 223.988 84.917 170.574 1.00 50.66 C +ATOM 607 O VAL A 123 223.350 85.650 169.830 1.00 50.76 O +ATOM 608 CB VAL A 123 223.215 85.196 172.943 1.00 45.71 C +ATOM 609 CG1 VAL A 123 222.819 83.726 173.058 1.00 66.35 C +ATOM 610 CG2 VAL A 123 223.581 85.730 174.316 1.00 57.34 C +ATOM 611 N TYR A 124 224.384 83.682 170.271 1.00 54.76 N +ATOM 612 CA TYR A 124 224.108 83.092 168.964 1.00 59.15 C +ATOM 613 C TYR A 124 223.286 81.813 169.047 1.00 61.11 C +ATOM 614 O TYR A 124 223.356 81.063 170.021 1.00 77.18 O +ATOM 615 CB TYR A 124 225.412 82.768 168.216 1.00 54.42 C +ATOM 616 CG TYR A 124 226.292 83.973 167.929 1.00 64.97 C +ATOM 617 CD1 TYR A 124 227.031 84.574 168.941 1.00 36.17 C +ATOM 618 CD2 TYR A 124 226.352 84.532 166.649 1.00 68.56 C +ATOM 619 CE1 TYR A 124 227.793 85.681 168.700 1.00 56.00 C +ATOM 620 CE2 TYR A 124 227.117 85.653 166.393 1.00 49.47 C +ATOM 621 CZ TYR A 124 227.835 86.220 167.428 1.00 51.06 C +ATOM 622 OH TYR A 124 228.608 87.330 167.202 1.00 71.62 O +ATOM 623 N GLU A 125 222.497 81.576 168.010 1.00 65.81 N +ATOM 624 CA GLU A 125 221.697 80.374 167.910 1.00 49.40 C +ATOM 625 C GLU A 125 222.164 79.747 166.601 1.00 50.33 C +ATOM 626 O GLU A 125 221.610 80.007 165.535 1.00 63.99 O +ATOM 627 CB GLU A 125 220.210 80.728 167.851 1.00 56.44 C +ATOM 628 CG GLU A 125 219.285 79.525 167.952 1.00 64.02 C +ATOM 629 CD GLU A 125 218.600 79.176 166.637 1.00103.79 C +ATOM 630 OE1 GLU A 125 217.665 79.900 166.223 1.00113.21 O +ATOM 631 OE2 GLU A 125 219.002 78.172 166.009 1.00118.03 O +ATOM 632 N ASN A 126 223.217 78.948 166.675 1.00 57.09 N +ATOM 633 CA ASN A 126 223.752 78.304 165.480 1.00 63.39 C +ATOM 634 C ASN A 126 223.370 76.842 165.453 1.00 68.35 C +ATOM 635 O ASN A 126 222.770 76.334 166.393 1.00 78.79 O +ATOM 636 CB ASN A 126 225.271 78.413 165.451 1.00 53.33 C +ATOM 637 CG ASN A 126 225.738 79.824 165.237 1.00 50.86 C +ATOM 638 OD1 ASN A 126 226.934 80.105 165.254 1.00 53.47 O +ATOM 639 ND2 ASN A 126 224.786 80.732 165.026 1.00 57.45 N +ATOM 640 N LEU A 127 223.729 76.167 164.370 1.00 72.36 N +ATOM 641 CA LEU A 127 223.431 74.753 164.222 1.00 56.01 C +ATOM 642 C LEU A 127 224.712 73.983 164.467 1.00 63.01 C +ATOM 643 O LEU A 127 225.637 74.025 163.663 1.00 79.72 O +ATOM 644 CB LEU A 127 222.926 74.467 162.817 1.00 57.56 C +ATOM 645 CG LEU A 127 221.810 73.443 162.741 1.00 56.21 C +ATOM 646 CD1 LEU A 127 220.660 73.944 163.564 1.00 63.97 C +ATOM 647 CD2 LEU A 127 221.386 73.235 161.311 1.00 50.73 C +ATOM 648 N TYR A 128 224.768 73.281 165.588 1.00 85.19 N +ATOM 649 CA TYR A 128 225.949 72.511 165.932 1.00 78.91 C +ATOM 650 C TYR A 128 225.657 71.015 166.036 1.00 99.93 C +ATOM 651 O TYR A 128 224.960 70.571 166.956 1.00 83.06 O +ATOM 652 CB TYR A 128 226.513 72.996 167.259 1.00 73.34 C +ATOM 653 CG TYR A 128 227.849 72.396 167.562 1.00113.80 C +ATOM 654 CD1 TYR A 128 229.000 72.939 167.024 1.00118.71 C +ATOM 655 CD2 TYR A 128 227.959 71.253 168.341 1.00128.83 C +ATOM 656 CE1 TYR A 128 230.223 72.372 167.247 1.00148.93 C +ATOM 657 CE2 TYR A 128 229.183 70.667 168.569 1.00160.37 C +ATOM 658 CZ TYR A 128 230.316 71.239 168.018 1.00162.93 C +ATOM 659 OH TYR A 128 231.559 70.688 168.244 1.00162.00 O +ATOM 660 N ALA A 129 226.204 70.240 165.098 1.00112.77 N +ATOM 661 CA ALA A 129 226.016 68.788 165.077 1.00119.60 C +ATOM 662 C ALA A 129 224.556 68.445 164.843 1.00117.04 C +ATOM 663 O ALA A 129 223.981 67.637 165.575 1.00102.48 O +ATOM 664 CB ALA A 129 226.482 68.181 166.398 1.00105.12 C +ATOM 665 N GLY A 130 223.957 69.056 163.823 1.00115.24 N +ATOM 666 CA GLY A 130 222.550 68.810 163.553 1.00115.49 C +ATOM 667 C GLY A 130 221.728 69.250 164.756 1.00107.44 C +ATOM 668 O GLY A 130 220.501 69.259 164.722 1.00 95.78 O +ATOM 669 N ARG A 131 222.425 69.616 165.828 1.00 89.82 N +ATOM 670 CA ARG A 131 221.791 70.067 167.055 1.00 92.75 C +ATOM 671 C ARG A 131 221.754 71.593 167.105 1.00 80.22 C +ATOM 672 O ARG A 131 222.756 72.265 166.892 1.00 63.19 O +ATOM 673 CB ARG A 131 222.546 69.516 168.271 1.00 79.11 C +ATOM 674 N LYS A 132 220.574 72.121 167.381 1.00 68.38 N +ATOM 675 CA LYS A 132 220.349 73.553 167.487 1.00 64.95 C +ATOM 676 C LYS A 132 220.944 74.013 168.828 1.00 56.62 C +ATOM 677 O LYS A 132 220.449 73.648 169.889 1.00 63.01 O +ATOM 678 CB LYS A 132 218.839 73.782 167.429 1.00 50.70 C +ATOM 679 CG LYS A 132 218.340 75.188 167.516 1.00 60.30 C +ATOM 680 CD LYS A 132 216.821 75.123 167.476 1.00 72.13 C +ATOM 681 CE LYS A 132 216.171 76.486 167.371 1.00106.61 C +ATOM 682 NZ LYS A 132 214.692 76.354 167.313 1.00 65.96 N +ATOM 683 N CYS A 133 222.011 74.805 168.787 1.00 77.15 N +ATOM 684 CA CYS A 133 222.648 75.263 170.022 1.00 74.16 C +ATOM 685 C CYS A 133 222.555 76.745 170.320 1.00 65.05 C +ATOM 686 O CYS A 133 222.157 77.543 169.471 1.00 81.10 O +ATOM 687 CB CYS A 133 224.114 74.877 170.024 1.00 92.23 C +ATOM 688 SG CYS A 133 224.343 73.126 169.850 1.00106.91 S +ATOM 689 N LEU A 134 222.947 77.099 171.540 1.00 67.21 N +ATOM 690 CA LEU A 134 222.921 78.478 171.986 1.00 67.45 C +ATOM 691 C LEU A 134 224.326 78.865 172.431 1.00 63.74 C +ATOM 692 O LEU A 134 224.804 78.446 173.488 1.00 71.31 O +ATOM 693 CB LEU A 134 221.953 78.634 173.152 1.00 51.96 C +ATOM 694 CG LEU A 134 221.107 79.902 173.189 1.00 72.36 C +ATOM 695 CD1 LEU A 134 220.129 79.885 172.025 1.00 66.47 C +ATOM 696 CD2 LEU A 134 220.342 79.981 174.503 1.00 63.46 C +ATOM 697 N LEU A 135 224.992 79.663 171.608 1.00 69.76 N +ATOM 698 CA LEU A 135 226.338 80.103 171.910 1.00 48.46 C +ATOM 699 C LEU A 135 226.262 81.450 172.608 1.00 60.20 C +ATOM 700 O LEU A 135 225.639 82.381 172.101 1.00 49.35 O +ATOM 701 CB LEU A 135 227.130 80.192 170.609 1.00 69.61 C +ATOM 702 CG LEU A 135 227.191 78.851 169.873 1.00 59.09 C +ATOM 703 CD1 LEU A 135 227.585 79.058 168.425 1.00 80.07 C +ATOM 704 CD2 LEU A 135 228.173 77.943 170.579 1.00 92.22 C +ATOM 705 N ILE A 136 226.896 81.530 173.775 1.00 39.79 N +ATOM 706 CA ILE A 136 226.913 82.744 174.581 1.00 48.18 C +ATOM 707 C ILE A 136 228.321 83.324 174.691 1.00 54.20 C +ATOM 708 O ILE A 136 229.219 82.672 175.204 1.00 63.12 O +ATOM 709 CB ILE A 136 226.398 82.453 176.006 1.00 57.17 C +ATOM 710 CG1 ILE A 136 224.997 81.864 175.934 1.00 54.12 C +ATOM 711 CG2 ILE A 136 226.364 83.720 176.829 1.00 45.37 C +ATOM 712 CD1 ILE A 136 224.893 80.475 176.545 1.00 94.13 C +ATOM 713 N VAL A 137 228.527 84.539 174.200 1.00 47.11 N +ATOM 714 CA VAL A 137 229.812 85.185 174.376 1.00 51.92 C +ATOM 715 C VAL A 137 229.827 86.081 175.615 1.00 62.30 C +ATOM 716 O VAL A 137 228.925 86.871 175.875 1.00 65.38 O +ATOM 717 CB VAL A 137 230.091 85.979 173.099 1.00 55.29 C +ATOM 718 CG1 VAL A 137 231.461 86.640 173.162 1.00 49.20 C +ATOM 719 CG2 VAL A 137 230.064 85.035 171.910 1.00 33.49 C +ATOM 720 N MET A 138 230.893 85.889 176.417 1.00 63.64 N +ATOM 721 CA MET A 138 231.026 86.598 177.685 1.00 47.48 C +ATOM 722 C MET A 138 232.339 87.381 177.769 1.00 63.41 C +ATOM 723 O MET A 138 233.371 86.975 177.246 1.00 60.31 O +ATOM 724 CB MET A 138 231.044 85.548 178.796 1.00 76.63 C +ATOM 725 CG MET A 138 229.707 84.836 178.965 1.00 72.52 C +ATOM 726 SD MET A 138 229.779 83.570 180.236 1.00 81.89 S +ATOM 727 CE MET A 138 228.109 82.937 180.029 1.00180.26 C +ATOM 728 N GLU A 139 232.281 88.555 178.427 1.00 44.14 N +ATOM 729 CA GLU A 139 233.550 89.154 178.798 1.00 46.81 C +ATOM 730 C GLU A 139 234.381 88.099 179.511 1.00 61.98 C +ATOM 731 O GLU A 139 233.876 87.285 180.272 1.00 68.61 O +ATOM 732 CB GLU A 139 233.291 90.346 179.732 1.00 40.20 C +ATOM 733 CG GLU A 139 233.444 89.999 181.216 1.00 70.67 C +ATOM 734 CD GLU A 139 233.140 91.231 182.059 1.00 76.30 C +ATOM 735 OE1 GLU A 139 231.972 91.501 182.306 1.00 89.15 O +ATOM 736 OE2 GLU A 139 234.079 91.912 182.459 1.00100.67 O +ATOM 737 N CYS A 140 235.664 88.142 179.172 1.00 69.16 N +ATOM 738 CA CYS A 140 236.625 87.167 179.666 1.00 69.69 C +ATOM 739 C CYS A 140 237.322 87.529 180.968 1.00 60.14 C +ATOM 740 O CYS A 140 238.227 88.349 180.990 1.00 82.48 O +ATOM 741 CB CYS A 140 237.676 86.903 178.587 1.00 74.24 C +ATOM 742 SG CYS A 140 238.996 85.811 179.117 1.00 73.10 S +ATOM 743 N LEU A 141 236.912 86.895 182.055 1.00 71.80 N +ATOM 744 CA LEU A 141 237.524 87.159 183.348 1.00 79.00 C +ATOM 745 C LEU A 141 238.785 86.304 183.509 1.00 76.59 C +ATOM 746 O LEU A 141 238.736 85.081 183.360 1.00 77.59 O +ATOM 747 CB LEU A 141 236.523 86.847 184.462 1.00 81.97 C +ATOM 748 CG LEU A 141 235.203 87.610 184.350 1.00 76.77 C +ATOM 749 CD1 LEU A 141 234.214 87.100 185.382 1.00 96.50 C +ATOM 750 CD2 LEU A 141 235.469 89.086 184.535 1.00 47.85 C +ATOM 751 N ASP A 142 239.913 86.940 183.818 1.00 90.64 N +ATOM 752 CA ASP A 142 241.158 86.197 183.977 1.00 92.77 C +ATOM 753 C ASP A 142 241.771 86.152 185.366 1.00 84.21 C +ATOM 754 O ASP A 142 242.387 85.153 185.725 1.00120.09 O +ATOM 755 CB ASP A 142 242.202 86.698 182.984 1.00 92.82 C +ATOM 756 CG ASP A 142 241.951 86.182 181.586 1.00110.94 C +ATOM 757 OD1 ASP A 142 241.710 84.961 181.450 1.00 82.18 O +ATOM 758 OD2 ASP A 142 242.003 86.987 180.632 1.00115.53 O +ATOM 759 N GLY A 143 241.616 87.220 186.142 1.00 76.67 N +ATOM 760 CA GLY A 143 242.178 87.249 187.486 1.00 84.99 C +ATOM 761 C GLY A 143 242.128 85.940 188.269 1.00 83.56 C +ATOM 762 O GLY A 143 242.909 85.744 189.194 1.00 94.38 O +ATOM 763 N GLY A 144 241.216 85.040 187.913 1.00 81.49 N +ATOM 764 CA GLY A 144 241.132 83.778 188.621 1.00 72.81 C +ATOM 765 C GLY A 144 240.064 83.784 189.700 1.00 88.08 C +ATOM 766 O GLY A 144 239.527 84.839 190.045 1.00 76.11 O +ATOM 767 N GLU A 145 239.759 82.603 190.235 1.00 72.60 N +ATOM 768 CA GLU A 145 238.746 82.464 191.268 1.00 80.92 C +ATOM 769 C GLU A 145 239.050 83.249 192.539 1.00 85.24 C +ATOM 770 O GLU A 145 240.206 83.446 192.908 1.00 76.66 O +ATOM 771 CB GLU A 145 238.543 80.993 191.605 1.00 61.62 C +ATOM 772 CG GLU A 145 237.861 80.199 190.509 1.00 89.57 C +ATOM 773 CD GLU A 145 237.725 78.732 190.876 1.00126.57 C +ATOM 774 OE1 GLU A 145 237.118 77.967 190.092 1.00 97.67 O +ATOM 775 OE2 GLU A 145 238.236 78.346 191.955 1.00103.63 O +ATOM 776 N LEU A 146 237.988 83.679 193.210 1.00 97.07 N +ATOM 777 CA LEU A 146 238.095 84.479 194.419 1.00 86.04 C +ATOM 778 C LEU A 146 239.174 84.065 195.402 1.00 75.32 C +ATOM 779 O LEU A 146 240.049 84.852 195.732 1.00 72.90 O +ATOM 780 CB LEU A 146 236.743 84.530 195.138 1.00 83.71 C +ATOM 781 CG LEU A 146 236.768 85.402 196.395 1.00 84.94 C +ATOM 782 CD1 LEU A 146 237.338 86.754 196.044 1.00 92.90 C +ATOM 783 CD2 LEU A 146 235.382 85.551 196.975 1.00116.24 C +ATOM 784 N PHE A 147 239.127 82.829 195.867 1.00 80.55 N +ATOM 785 CA PHE A 147 240.104 82.385 196.847 1.00 87.51 C +ATOM 786 C PHE A 147 241.526 82.244 196.332 1.00 92.39 C +ATOM 787 O PHE A 147 242.478 82.546 197.051 1.00104.70 O +ATOM 788 CB PHE A 147 239.611 81.094 197.495 1.00 62.88 C +ATOM 789 CG PHE A 147 238.388 81.297 198.330 1.00 83.58 C +ATOM 790 CD1 PHE A 147 237.514 80.260 198.589 1.00 80.71 C +ATOM 791 CD2 PHE A 147 238.102 82.557 198.845 1.00 82.88 C +ATOM 792 CE1 PHE A 147 236.375 80.476 199.342 1.00 93.95 C +ATOM 793 CE2 PHE A 147 236.971 82.778 199.596 1.00 50.19 C +ATOM 794 CZ PHE A 147 236.105 81.740 199.844 1.00 97.28 C +ATOM 795 N SER A 148 241.680 81.805 195.090 1.00 81.24 N +ATOM 796 CA SER A 148 243.008 81.657 194.525 1.00 74.75 C +ATOM 797 C SER A 148 243.758 82.970 194.714 1.00 83.42 C +ATOM 798 O SER A 148 244.679 83.053 195.529 1.00 88.34 O +ATOM 799 CB SER A 148 242.902 81.301 193.051 1.00 76.50 C +ATOM 800 OG SER A 148 242.158 80.106 192.902 1.00 74.94 O +ATOM 801 N ARG A 149 243.347 83.999 193.978 1.00 81.76 N +ATOM 802 CA ARG A 149 243.974 85.316 194.077 1.00102.63 C +ATOM 803 C ARG A 149 244.325 85.650 195.512 1.00107.57 C +ATOM 804 O ARG A 149 245.399 86.169 195.796 1.00115.11 O +ATOM 805 CB ARG A 149 243.038 86.396 193.537 1.00 92.17 C +ATOM 806 CG ARG A 149 242.950 86.427 192.033 1.00 96.27 C +ATOM 807 CD ARG A 149 244.278 86.851 191.433 1.00127.89 C +ATOM 808 NE ARG A 149 244.141 88.079 190.656 1.00105.03 N +ATOM 809 CZ ARG A 149 243.698 89.227 191.155 1.00106.80 C +ATOM 810 NH1 ARG A 149 243.350 89.307 192.434 1.00 91.41 N +ATOM 811 NH2 ARG A 149 243.597 90.293 190.377 1.00 81.30 N +ATOM 812 N ILE A 150 243.410 85.352 196.423 1.00117.64 N +ATOM 813 CA ILE A 150 243.658 85.636 197.821 1.00111.89 C +ATOM 814 C ILE A 150 244.890 84.907 198.320 1.00111.27 C +ATOM 815 O ILE A 150 245.841 85.543 198.769 1.00125.08 O +ATOM 816 CB ILE A 150 242.447 85.262 198.691 1.00102.67 C +ATOM 817 CG1 ILE A 150 241.501 86.458 198.783 1.00 81.93 C +ATOM 818 CG2 ILE A 150 242.900 84.866 200.081 1.00 93.62 C +ATOM 819 CD1 ILE A 150 241.279 87.159 197.457 1.00131.92 C +ATOM 820 N GLN A 151 244.898 83.583 198.221 1.00 93.05 N +ATOM 821 CA GLN A 151 246.045 82.836 198.708 1.00112.82 C +ATOM 822 C GLN A 151 247.325 83.240 197.992 1.00130.96 C +ATOM 823 O GLN A 151 248.373 83.378 198.624 1.00146.77 O +ATOM 824 CB GLN A 151 245.825 81.329 198.565 1.00 96.24 C +ATOM 825 CG GLN A 151 246.123 80.751 197.203 1.00107.91 C +ATOM 826 CD GLN A 151 246.134 79.231 197.224 1.00135.63 C +ATOM 827 OE1 GLN A 151 246.326 78.584 196.193 1.00152.64 O +ATOM 828 NE2 GLN A 151 245.929 78.654 198.406 1.00 63.64 N +ATOM 829 N ASP A 152 247.241 83.452 196.682 1.00131.86 N +ATOM 830 CA ASP A 152 248.416 83.833 195.898 1.00121.88 C +ATOM 831 C ASP A 152 248.697 85.331 195.974 1.00119.03 C +ATOM 832 O ASP A 152 249.617 85.765 196.678 1.00108.04 O +ATOM 833 CB ASP A 152 248.226 83.420 194.436 1.00120.82 C +ATOM 834 CG ASP A 152 247.643 82.015 194.296 1.00145.66 C +ATOM 835 OD1 ASP A 152 248.152 81.088 194.964 1.00161.64 O +ATOM 836 OD2 ASP A 152 246.679 81.834 193.515 1.00172.99 O +ATOM 837 N THR A 159 244.002 91.956 205.011 1.00 65.30 N +ATOM 838 CA THR A 159 243.414 92.956 205.898 1.00 99.51 C +ATOM 839 C THR A 159 241.893 92.871 205.964 1.00 87.22 C +ATOM 840 O THR A 159 241.221 92.755 204.944 1.00 90.56 O +ATOM 841 CB THR A 159 243.790 94.404 205.473 1.00 95.19 C +ATOM 842 OG1 THR A 159 243.610 94.560 204.061 1.00103.02 O +ATOM 843 CG2 THR A 159 245.229 94.718 205.831 1.00121.85 C +ATOM 844 N GLU A 160 241.360 92.931 207.178 1.00 90.46 N +ATOM 845 CA GLU A 160 239.921 92.876 207.395 1.00 95.08 C +ATOM 846 C GLU A 160 239.243 93.816 206.400 1.00 97.10 C +ATOM 847 O GLU A 160 238.191 93.498 205.844 1.00 77.77 O +ATOM 848 CB GLU A 160 239.606 93.302 208.836 1.00 84.05 C +ATOM 849 CG GLU A 160 238.135 93.255 209.218 1.00102.30 C +ATOM 850 CD GLU A 160 237.888 93.636 210.675 1.00107.68 C +ATOM 851 OE1 GLU A 160 238.512 93.022 211.566 1.00102.89 O +ATOM 852 OE2 GLU A 160 237.063 94.542 210.931 1.00116.03 O +ATOM 853 N ARG A 161 239.872 94.966 206.169 1.00 91.94 N +ATOM 854 CA ARG A 161 239.359 95.979 205.252 1.00 98.89 C +ATOM 855 C ARG A 161 239.188 95.480 203.826 1.00 94.53 C +ATOM 856 O ARG A 161 238.251 95.874 203.129 1.00 84.43 O +ATOM 857 CB ARG A 161 240.276 97.204 205.245 1.00 94.61 C +ATOM 858 CG ARG A 161 239.886 98.251 204.206 1.00116.99 C +ATOM 859 CD ARG A 161 240.724 99.506 204.347 1.00131.31 C +ATOM 860 NE ARG A 161 240.601 100.069 205.688 1.00142.10 N +ATOM 861 CZ ARG A 161 241.205 101.180 206.092 1.00132.03 C +ATOM 862 NH1 ARG A 161 241.982 101.855 205.257 1.00142.54 N +ATOM 863 NH2 ARG A 161 241.026 101.620 207.330 1.00138.86 N +ATOM 864 N GLU A 162 240.107 94.628 203.389 1.00 86.92 N +ATOM 865 CA GLU A 162 240.040 94.067 202.050 1.00 96.77 C +ATOM 866 C GLU A 162 238.899 93.063 201.991 1.00 93.54 C +ATOM 867 O GLU A 162 238.101 93.078 201.052 1.00 98.52 O +ATOM 868 CB GLU A 162 241.360 93.385 201.699 1.00101.33 C +ATOM 869 CG GLU A 162 242.463 94.360 201.317 1.00125.60 C +ATOM 870 CD GLU A 162 243.848 93.755 201.448 1.00135.51 C +ATOM 871 OE1 GLU A 162 244.823 94.405 201.011 1.00144.57 O +ATOM 872 OE2 GLU A 162 243.959 92.636 201.999 1.00130.61 O +ATOM 873 N ALA A 163 238.822 92.199 203.002 1.00 93.78 N +ATOM 874 CA ALA A 163 237.772 91.187 203.071 1.00 86.54 C +ATOM 875 C ALA A 163 236.426 91.889 202.976 1.00 87.93 C +ATOM 876 O ALA A 163 235.509 91.418 202.297 1.00 94.67 O +ATOM 877 CB ALA A 163 237.871 90.419 204.371 1.00 72.07 C +ATOM 878 N SER A 164 236.319 93.021 203.662 1.00 75.33 N +ATOM 879 CA SER A 164 235.098 93.809 203.651 1.00 81.45 C +ATOM 880 C SER A 164 234.765 94.222 202.223 1.00 92.32 C +ATOM 881 O SER A 164 233.708 93.892 201.679 1.00 89.51 O +ATOM 882 CB SER A 164 235.281 95.057 204.511 1.00 61.52 C +ATOM 883 OG SER A 164 234.233 95.977 204.289 1.00 85.01 O +ATOM 884 N GLU A 165 235.696 94.949 201.622 1.00106.88 N +ATOM 885 CA GLU A 165 235.537 95.436 200.259 1.00107.60 C +ATOM 886 C GLU A 165 235.138 94.312 199.306 1.00 98.22 C +ATOM 887 O GLU A 165 234.309 94.509 198.421 1.00 80.74 O +ATOM 888 CB GLU A 165 236.834 96.102 199.807 1.00117.73 C +ATOM 889 CG GLU A 165 237.296 97.198 200.763 1.00121.43 C +ATOM 890 CD GLU A 165 238.640 97.776 200.381 1.00129.44 C +ATOM 891 OE1 GLU A 165 239.620 96.998 200.285 1.00132.54 O +ATOM 892 OE2 GLU A 165 238.711 99.007 200.172 1.00114.59 O +ATOM 893 N ILE A 166 235.722 93.134 199.483 1.00 87.57 N +ATOM 894 CA ILE A 166 235.354 92.020 198.628 1.00 78.81 C +ATOM 895 C ILE A 166 233.887 91.705 198.905 1.00 85.13 C +ATOM 896 O ILE A 166 233.068 91.644 197.975 1.00 86.94 O +ATOM 897 CB ILE A 166 236.207 90.755 198.905 1.00 76.17 C +ATOM 898 CG1 ILE A 166 237.628 90.972 198.376 1.00 76.65 C +ATOM 899 CG2 ILE A 166 235.567 89.534 198.255 1.00 77.07 C +ATOM 900 CD1 ILE A 166 238.532 89.759 198.515 1.00 56.87 C +ATOM 901 N MET A 167 233.546 91.520 200.179 1.00 80.82 N +ATOM 902 CA MET A 167 232.166 91.195 200.521 1.00 77.70 C +ATOM 903 C MET A 167 231.228 92.224 199.941 1.00 73.89 C +ATOM 904 O MET A 167 230.152 91.895 199.452 1.00 72.21 O +ATOM 905 CB MET A 167 231.978 91.110 202.035 1.00 67.42 C +ATOM 906 CG MET A 167 232.544 89.845 202.620 1.00 65.04 C +ATOM 907 SD MET A 167 232.087 88.398 201.648 1.00 75.11 S +ATOM 908 CE MET A 167 230.294 88.399 201.807 1.00 53.41 C +ATOM 909 N LYS A 168 231.659 93.472 199.962 1.00 54.97 N +ATOM 910 CA LYS A 168 230.830 94.534 199.449 1.00 60.76 C +ATOM 911 C LYS A 168 230.456 94.386 197.990 1.00 70.78 C +ATOM 912 O LYS A 168 229.307 94.607 197.629 1.00 66.11 O +ATOM 913 CB LYS A 168 231.502 95.876 199.659 1.00 65.32 C +ATOM 914 CG LYS A 168 230.616 97.027 199.293 1.00 49.49 C +ATOM 915 CD LYS A 168 231.208 98.313 199.780 1.00103.77 C +ATOM 916 CE LYS A 168 230.191 99.429 199.714 1.00 87.12 C +ATOM 917 NZ LYS A 168 230.644 100.674 200.407 1.00118.45 N +ATOM 918 N SER A 169 231.403 94.023 197.136 1.00 82.60 N +ATOM 919 CA SER A 169 231.061 93.885 195.723 1.00 89.11 C +ATOM 920 C SER A 169 230.176 92.665 195.484 1.00 81.07 C +ATOM 921 O SER A 169 229.262 92.726 194.657 1.00 75.01 O +ATOM 922 CB SER A 169 232.327 93.796 194.863 1.00 73.74 C +ATOM 923 OG SER A 169 233.058 92.620 195.165 1.00 77.68 O +ATOM 924 N ILE A 170 230.448 91.560 196.191 1.00 75.29 N +ATOM 925 CA ILE A 170 229.630 90.349 196.034 1.00 74.32 C +ATOM 926 C ILE A 170 228.232 90.743 196.437 1.00 63.33 C +ATOM 927 O ILE A 170 227.255 90.334 195.818 1.00 57.44 O +ATOM 928 CB ILE A 170 230.053 89.177 196.951 1.00 68.61 C +ATOM 929 CG1 ILE A 170 231.437 88.663 196.571 1.00 59.95 C +ATOM 930 CG2 ILE A 170 229.091 88.015 196.782 1.00 46.17 C +ATOM 931 CD1 ILE A 170 231.768 87.318 197.192 1.00 76.19 C +ATOM 932 N GLY A 171 228.154 91.560 197.484 1.00 56.09 N +ATOM 933 CA GLY A 171 226.870 92.026 197.958 1.00 75.47 C +ATOM 934 C GLY A 171 226.110 92.700 196.835 1.00 69.45 C +ATOM 935 O GLY A 171 224.947 92.390 196.568 1.00 76.12 O +ATOM 936 N GLU A 172 226.792 93.621 196.166 1.00 71.58 N +ATOM 937 CA GLU A 172 226.212 94.368 195.066 1.00 73.09 C +ATOM 938 C GLU A 172 225.715 93.446 193.960 1.00 69.34 C +ATOM 939 O GLU A 172 224.645 93.653 193.396 1.00 74.21 O +ATOM 940 CB GLU A 172 227.243 95.332 194.499 1.00 62.80 C +ATOM 941 CG GLU A 172 228.028 96.080 195.547 1.00 91.94 C +ATOM 942 CD GLU A 172 228.717 97.298 194.973 1.00112.10 C +ATOM 943 OE1 GLU A 172 228.051 98.349 194.825 1.00116.39 O +ATOM 944 OE2 GLU A 172 229.919 97.199 194.649 1.00121.47 O +ATOM 945 N ALA A 173 226.487 92.427 193.635 1.00 50.91 N +ATOM 946 CA ALA A 173 226.039 91.525 192.599 1.00 55.42 C +ATOM 947 C ALA A 173 224.666 90.969 192.995 1.00 69.00 C +ATOM 948 O ALA A 173 223.779 90.793 192.156 1.00 68.62 O +ATOM 949 CB ALA A 173 227.036 90.392 192.429 1.00 59.45 C +ATOM 950 N ILE A 174 224.491 90.709 194.287 1.00 59.68 N +ATOM 951 CA ILE A 174 223.240 90.163 194.793 1.00 55.23 C +ATOM 952 C ILE A 174 222.137 91.199 194.912 1.00 66.27 C +ATOM 953 O ILE A 174 220.991 90.943 194.542 1.00 59.24 O +ATOM 954 CB ILE A 174 223.439 89.528 196.157 1.00 72.24 C +ATOM 955 CG1 ILE A 174 224.492 88.438 196.055 1.00 44.08 C +ATOM 956 CG2 ILE A 174 222.132 88.924 196.636 1.00 52.34 C +ATOM 957 CD1 ILE A 174 224.090 87.355 195.102 1.00105.89 C +ATOM 958 N GLN A 175 222.473 92.368 195.444 1.00 46.22 N +ATOM 959 CA GLN A 175 221.477 93.407 195.586 1.00 60.91 C +ATOM 960 C GLN A 175 220.804 93.676 194.240 1.00 48.25 C +ATOM 961 O GLN A 175 219.581 93.742 194.155 1.00 62.61 O +ATOM 962 CB GLN A 175 222.121 94.674 196.144 1.00 49.40 C +ATOM 963 CG GLN A 175 221.309 95.931 195.912 1.00 71.12 C +ATOM 964 CD GLN A 175 221.661 97.042 196.892 1.00104.15 C +ATOM 965 OE1 GLN A 175 222.825 97.446 197.017 1.00 76.77 O +ATOM 966 NE2 GLN A 175 220.645 97.544 197.600 1.00111.29 N +ATOM 967 N TYR A 176 221.602 93.798 193.184 1.00 72.76 N +ATOM 968 CA TYR A 176 221.025 94.078 191.873 1.00 74.81 C +ATOM 969 C TYR A 176 220.105 92.946 191.416 1.00 74.26 C +ATOM 970 O TYR A 176 218.933 93.142 191.122 1.00 61.26 O +ATOM 971 CB TYR A 176 222.168 94.255 190.874 1.00 79.19 C +ATOM 972 CG TYR A 176 221.628 94.703 189.563 1.00 53.89 C +ATOM 973 CD1 TYR A 176 221.692 96.048 189.209 1.00 73.14 C +ATOM 974 CD2 TYR A 176 221.054 93.785 188.683 1.00 78.08 C +ATOM 975 CE1 TYR A 176 221.197 96.471 187.985 1.00 58.55 C +ATOM 976 CE2 TYR A 176 220.550 94.209 187.463 1.00 60.19 C +ATOM 977 CZ TYR A 176 220.616 95.546 187.115 1.00 70.05 C +ATOM 978 OH TYR A 176 220.124 95.975 185.898 1.00 98.35 O +ATOM 979 N LEU A 177 220.626 91.729 191.357 1.00 69.60 N +ATOM 980 CA LEU A 177 219.824 90.582 190.986 1.00 65.69 C +ATOM 981 C LEU A 177 218.485 90.616 191.705 1.00 62.46 C +ATOM 982 O LEU A 177 217.437 90.563 191.057 1.00 73.48 O +ATOM 983 CB LEU A 177 220.562 89.297 191.333 1.00 59.94 C +ATOM 984 CG LEU A 177 221.671 88.955 190.357 1.00 54.02 C +ATOM 985 CD1 LEU A 177 222.252 87.585 190.679 1.00 59.89 C +ATOM 986 CD2 LEU A 177 221.078 88.962 188.964 1.00 77.33 C +ATOM 987 N HIS A 178 218.518 90.708 193.035 1.00 61.49 N +ATOM 988 CA HIS A 178 217.285 90.746 193.816 1.00 57.69 C +ATOM 989 C HIS A 178 216.419 91.952 193.466 1.00 56.16 C +ATOM 990 O HIS A 178 215.204 91.831 193.368 1.00 71.55 O +ATOM 991 CB HIS A 178 217.590 90.741 195.313 1.00 58.67 C +ATOM 992 CG HIS A 178 218.154 89.446 195.805 1.00 66.35 C +ATOM 993 ND1 HIS A 178 218.554 89.259 197.110 1.00 49.65 N +ATOM 994 CD2 HIS A 178 218.437 88.292 195.154 1.00 50.67 C +ATOM 995 CE1 HIS A 178 219.068 88.049 197.241 1.00 77.64 C +ATOM 996 NE2 HIS A 178 219.010 87.442 196.069 1.00 44.53 N +ATOM 997 N SER A 179 217.037 93.107 193.259 1.00 62.56 N +ATOM 998 CA SER A 179 216.270 94.292 192.906 1.00 56.93 C +ATOM 999 C SER A 179 215.575 94.094 191.567 1.00 44.23 C +ATOM 1000 O SER A 179 214.830 94.956 191.136 1.00 68.45 O +ATOM 1001 CB SER A 179 217.160 95.518 192.803 1.00 41.33 C +ATOM 1002 OG SER A 179 217.835 95.504 191.554 1.00 86.61 O +ATOM 1003 N ILE A 180 215.842 92.997 190.876 1.00 60.70 N +ATOM 1004 CA ILE A 180 215.135 92.778 189.629 1.00 66.56 C +ATOM 1005 C ILE A 180 214.483 91.409 189.667 1.00 76.38 C +ATOM 1006 O ILE A 180 214.223 90.783 188.641 1.00 67.28 O +ATOM 1007 CB ILE A 180 216.041 92.928 188.368 1.00 65.72 C +ATOM 1008 CG1 ILE A 180 217.061 91.804 188.280 1.00 98.00 C +ATOM 1009 CG2 ILE A 180 216.766 94.248 188.413 1.00 65.05 C +ATOM 1010 CD1 ILE A 180 217.787 91.783 186.962 1.00 42.99 C +ATOM 1011 N ASN A 181 214.229 90.940 190.880 1.00 62.76 N +ATOM 1012 CA ASN A 181 213.556 89.672 191.081 1.00 64.37 C +ATOM 1013 C ASN A 181 214.257 88.447 190.552 1.00 64.72 C +ATOM 1014 O ASN A 181 213.624 87.605 189.919 1.00 76.26 O +ATOM 1015 CB ASN A 181 212.156 89.726 190.464 1.00 52.97 C +ATOM 1016 CG ASN A 181 211.274 90.765 191.118 1.00 91.87 C +ATOM 1017 OD1 ASN A 181 210.607 91.549 190.435 1.00 70.51 O +ATOM 1018 ND2 ASN A 181 211.261 90.779 192.456 1.00 66.84 N +ATOM 1019 N ILE A 182 215.550 88.325 190.800 1.00 69.03 N +ATOM 1020 CA ILE A 182 216.251 87.140 190.343 1.00 58.61 C +ATOM 1021 C ILE A 182 217.060 86.582 191.510 1.00 64.49 C +ATOM 1022 O ILE A 182 217.652 87.335 192.289 1.00 75.24 O +ATOM 1023 CB ILE A 182 217.217 87.452 189.175 1.00 67.77 C +ATOM 1024 CG1 ILE A 182 216.498 88.204 188.058 1.00 51.81 C +ATOM 1025 CG2 ILE A 182 217.765 86.162 188.604 1.00 71.00 C +ATOM 1026 CD1 ILE A 182 217.397 88.520 186.870 1.00 51.04 C +ATOM 1027 N ALA A 183 217.068 85.261 191.639 1.00 74.62 N +ATOM 1028 CA ALA A 183 217.907 84.570 192.612 1.00 86.67 C +ATOM 1029 C ALA A 183 218.970 83.710 191.924 1.00 88.25 C +ATOM 1030 O ALA A 183 218.683 82.841 191.110 1.00 87.52 O +ATOM 1031 CB ALA A 183 217.006 83.691 193.480 1.00 82.75 C +ATOM 1032 N HIS A 184 220.241 84.008 192.248 1.00 80.72 N +ATOM 1033 CA HIS A 184 221.331 83.245 191.654 1.00 76.94 C +ATOM 1034 C HIS A 184 221.282 81.775 192.077 1.00 80.75 C +ATOM 1035 O HIS A 184 221.411 80.858 191.277 1.00 72.26 O +ATOM 1036 CB HIS A 184 222.652 83.872 192.102 1.00 71.67 C +ATOM 1037 CG HIS A 184 223.777 83.319 191.264 1.00 61.47 C +ATOM 1038 ND1 HIS A 184 224.599 84.095 190.515 1.00 83.49 N +ATOM 1039 CD2 HIS A 184 224.158 81.983 191.101 1.00 84.93 C +ATOM 1040 CE1 HIS A 184 225.456 83.245 189.918 1.00 77.60 C +ATOM 1041 NE2 HIS A 184 225.215 81.974 190.250 1.00 94.64 N +ATOM 1042 N ARG A 185 221.128 81.570 193.401 1.00 76.53 N +ATOM 1043 CA ARG A 185 221.070 80.207 193.915 1.00 77.64 C +ATOM 1044 C ARG A 185 222.301 79.398 193.501 1.00 85.59 C +ATOM 1045 O ARG A 185 222.247 78.190 193.308 1.00 76.00 O +ATOM 1046 CB ARG A 185 219.805 79.546 193.368 1.00 60.05 C +ATOM 1047 CG ARG A 185 218.538 80.313 193.747 1.00 69.87 C +ATOM 1048 CD ARG A 185 217.293 79.421 193.714 1.00 88.79 C +ATOM 1049 NE ARG A 185 216.984 79.018 192.339 1.00 74.62 N +ATOM 1050 CZ ARG A 185 216.704 77.720 192.125 1.00102.74 C +ATOM 1051 NH1 ARG A 185 216.704 76.865 193.132 1.00105.16 N +ATOM 1052 NH2 ARG A 185 216.428 77.299 190.884 1.00124.15 N +ATOM 1053 N ASP A 186 223.476 80.000 193.397 1.00 85.17 N +ATOM 1054 CA ASP A 186 224.677 79.238 193.128 1.00 65.94 C +ATOM 1055 C ASP A 186 225.857 80.161 193.327 1.00 63.69 C +ATOM 1056 O ASP A 186 226.821 80.122 192.573 1.00 76.80 O +ATOM 1057 CB ASP A 186 224.651 78.670 191.712 1.00 64.22 C +ATOM 1058 CG ASP A 186 225.560 77.461 191.555 1.00 69.83 C +ATOM 1059 OD1 ASP A 186 225.629 76.654 192.503 1.00114.36 O +ATOM 1060 OD2 ASP A 186 226.197 77.304 190.492 1.00103.36 O +ATOM 1061 N VAL A 187 225.757 80.991 194.364 1.00 65.08 N +ATOM 1062 CA VAL A 187 226.794 81.952 194.717 1.00 62.87 C +ATOM 1063 C VAL A 187 227.923 81.305 195.507 1.00 61.46 C +ATOM 1064 O VAL A 187 228.134 81.605 196.677 1.00 76.23 O +ATOM 1065 CB VAL A 187 226.218 83.132 195.539 1.00 56.36 C +ATOM 1066 CG1 VAL A 187 227.311 84.156 195.831 1.00 45.04 C +ATOM 1067 CG2 VAL A 187 225.099 83.791 194.774 1.00 49.15 C +ATOM 1068 N LYS A 188 228.644 80.407 194.852 1.00 71.26 N +ATOM 1069 CA LYS A 188 229.766 79.731 195.482 1.00 71.74 C +ATOM 1070 C LYS A 188 231.033 80.392 194.985 1.00 71.11 C +ATOM 1071 O LYS A 188 231.049 80.975 193.905 1.00 76.85 O +ATOM 1072 CB LYS A 188 229.770 78.246 195.123 1.00 59.58 C +ATOM 1073 CG LYS A 188 229.709 77.962 193.639 1.00 61.04 C +ATOM 1074 CD LYS A 188 228.939 76.679 193.367 1.00 96.00 C +ATOM 1075 CE LYS A 188 228.669 76.509 191.869 1.00141.45 C +ATOM 1076 NZ LYS A 188 227.746 75.371 191.579 1.00122.86 N +ATOM 1077 N PRO A 189 232.115 80.318 195.776 1.00 66.86 N +ATOM 1078 CA PRO A 189 233.409 80.911 195.433 1.00 82.94 C +ATOM 1079 C PRO A 189 233.746 80.698 193.967 1.00 81.19 C +ATOM 1080 O PRO A 189 233.989 81.641 193.231 1.00 92.51 O +ATOM 1081 CB PRO A 189 234.359 80.199 196.381 1.00 77.38 C +ATOM 1082 CG PRO A 189 233.511 80.063 197.620 1.00 79.38 C +ATOM 1083 CD PRO A 189 232.197 79.582 197.049 1.00 84.38 C +ATOM 1084 N GLU A 190 233.743 79.447 193.553 1.00 79.12 N +ATOM 1085 CA GLU A 190 234.019 79.080 192.178 1.00 82.41 C +ATOM 1086 C GLU A 190 233.441 80.092 191.159 1.00 81.32 C +ATOM 1087 O GLU A 190 234.121 80.487 190.213 1.00102.09 O +ATOM 1088 CB GLU A 190 233.432 77.689 191.920 1.00 94.71 C +ATOM 1089 CG GLU A 190 233.784 76.609 192.978 1.00121.01 C +ATOM 1090 CD GLU A 190 233.527 77.030 194.444 1.00135.59 C +ATOM 1091 OE1 GLU A 190 232.488 77.674 194.727 1.00113.86 O +ATOM 1092 OE2 GLU A 190 234.363 76.700 195.321 1.00133.59 O +ATOM 1093 N ASN A 191 232.196 80.527 191.350 1.00 80.04 N +ATOM 1094 CA ASN A 191 231.584 81.457 190.405 1.00 59.50 C +ATOM 1095 C ASN A 191 231.991 82.905 190.569 1.00 72.63 C +ATOM 1096 O ASN A 191 231.360 83.796 189.998 1.00 60.72 O +ATOM 1097 CB ASN A 191 230.068 81.364 190.471 1.00 59.13 C +ATOM 1098 CG ASN A 191 229.566 79.975 190.189 1.00 57.02 C +ATOM 1099 OD1 ASN A 191 228.797 79.413 190.959 1.00107.48 O +ATOM 1100 ND2 ASN A 191 230.005 79.406 189.077 1.00 62.85 N +ATOM 1101 N LEU A 192 233.042 83.149 191.342 1.00 64.74 N +ATOM 1102 CA LEU A 192 233.524 84.514 191.552 1.00 58.75 C +ATOM 1103 C LEU A 192 234.931 84.655 190.987 1.00 67.25 C +ATOM 1104 O LEU A 192 235.906 84.314 191.644 1.00 63.30 O +ATOM 1105 CB LEU A 192 233.512 84.856 193.047 1.00 64.92 C +ATOM 1106 CG LEU A 192 232.127 84.840 193.709 1.00 76.84 C +ATOM 1107 CD1 LEU A 192 232.285 84.706 195.207 1.00 63.79 C +ATOM 1108 CD2 LEU A 192 231.350 86.108 193.349 1.00 49.09 C +ATOM 1109 N LEU A 193 235.022 85.173 189.767 1.00 76.60 N +ATOM 1110 CA LEU A 193 236.299 85.334 189.077 1.00 68.12 C +ATOM 1111 C LEU A 193 236.765 86.779 189.008 1.00 67.18 C +ATOM 1112 O LEU A 193 235.957 87.700 189.001 1.00 70.12 O +ATOM 1113 CB LEU A 193 236.165 84.801 187.657 1.00 57.38 C +ATOM 1114 CG LEU A 193 235.346 83.517 187.573 1.00 67.03 C +ATOM 1115 CD1 LEU A 193 235.242 83.061 186.137 1.00 74.99 C +ATOM 1116 CD2 LEU A 193 235.985 82.449 188.445 1.00 80.12 C +ATOM 1117 N TYR A 194 238.073 86.982 188.950 1.00 66.38 N +ATOM 1118 CA TYR A 194 238.603 88.333 188.846 1.00 70.20 C +ATOM 1119 C TYR A 194 238.833 88.697 187.382 1.00 65.05 C +ATOM 1120 O TYR A 194 239.219 87.856 186.578 1.00 55.59 O +ATOM 1121 CB TYR A 194 239.903 88.449 189.636 1.00 71.53 C +ATOM 1122 CG TYR A 194 239.692 88.807 191.085 1.00 83.55 C +ATOM 1123 CD1 TYR A 194 239.221 90.068 191.446 1.00 60.55 C +ATOM 1124 CD2 TYR A 194 239.959 87.889 192.095 1.00 54.69 C +ATOM 1125 CE1 TYR A 194 239.026 90.402 192.766 1.00 77.54 C +ATOM 1126 CE2 TYR A 194 239.764 88.216 193.423 1.00 72.23 C +ATOM 1127 CZ TYR A 194 239.300 89.472 193.749 1.00 80.69 C +ATOM 1128 OH TYR A 194 239.118 89.812 195.068 1.00 97.12 O +ATOM 1129 N THR A 195 238.585 89.952 187.035 1.00 56.71 N +ATOM 1130 CA THR A 195 238.754 90.389 185.660 1.00 63.48 C +ATOM 1131 C THR A 195 240.193 90.206 185.176 1.00 82.40 C +ATOM 1132 O THR A 195 240.436 89.542 184.164 1.00 96.10 O +ATOM 1133 CB THR A 195 238.334 91.865 185.494 1.00 66.82 C +ATOM 1134 OG1 THR A 195 239.028 92.668 186.452 1.00 70.80 O +ATOM 1135 CG2 THR A 195 236.829 92.022 185.688 1.00 54.17 C +ATOM 1136 N SER A 196 241.145 90.790 185.897 1.00 84.27 N +ATOM 1137 CA SER A 196 242.552 90.672 185.532 1.00 77.62 C +ATOM 1138 C SER A 196 243.388 90.202 186.716 1.00 88.08 C +ATOM 1139 O SER A 196 242.865 89.980 187.805 1.00101.07 O +ATOM 1140 CB SER A 196 243.089 92.019 185.033 1.00 78.67 C +ATOM 1141 OG SER A 196 243.063 92.995 186.055 1.00 92.46 O +ATOM 1142 N LYS A 197 244.688 90.038 186.490 1.00106.23 N +ATOM 1143 CA LYS A 197 245.601 89.609 187.542 1.00100.72 C +ATOM 1144 C LYS A 197 246.055 90.885 188.230 1.00 93.19 C +ATOM 1145 O LYS A 197 246.509 90.870 189.373 1.00 91.43 O +ATOM 1146 CB LYS A 197 246.792 88.882 186.936 1.00 90.18 C +ATOM 1147 N ARG A 198 245.911 91.985 187.500 1.00 76.02 N +ATOM 1148 CA ARG A 198 246.275 93.318 187.959 1.00111.08 C +ATOM 1149 C ARG A 198 245.815 93.469 189.412 1.00105.33 C +ATOM 1150 O ARG A 198 244.993 92.696 189.885 1.00104.59 O +ATOM 1151 CB ARG A 198 245.582 94.345 187.048 1.00118.16 C +ATOM 1152 CG ARG A 198 246.321 95.666 186.798 1.00144.07 C +ATOM 1153 CD ARG A 198 245.911 96.211 185.435 1.00152.31 C +ATOM 1154 NE ARG A 198 246.262 97.611 185.210 1.00171.50 N +ATOM 1155 CZ ARG A 198 245.920 98.290 184.115 1.00162.32 C +ATOM 1156 NH1 ARG A 198 245.223 97.692 183.152 1.00 96.38 N +ATOM 1157 NH2 ARG A 198 246.265 99.565 183.984 1.00146.82 N +ATOM 1158 N PRO A 199 246.347 94.461 190.144 1.00115.43 N +ATOM 1159 CA PRO A 199 245.943 94.653 191.545 1.00123.33 C +ATOM 1160 C PRO A 199 244.581 95.315 191.719 1.00123.60 C +ATOM 1161 O PRO A 199 243.991 95.259 192.794 1.00135.30 O +ATOM 1162 CB PRO A 199 247.061 95.524 192.105 1.00121.70 C +ATOM 1163 CG PRO A 199 247.387 96.397 190.921 1.00133.24 C +ATOM 1164 CD PRO A 199 247.411 95.409 189.775 1.00125.16 C +ATOM 1165 N ASN A 200 244.090 95.943 190.656 1.00122.57 N +ATOM 1166 CA ASN A 200 242.810 96.629 190.719 1.00108.91 C +ATOM 1167 C ASN A 200 241.726 95.826 190.023 1.00 95.83 C +ATOM 1168 O ASN A 200 240.606 96.310 189.835 1.00 73.96 O +ATOM 1169 CB ASN A 200 242.923 98.019 190.090 1.00118.71 C +ATOM 1170 N ALA A 201 242.059 94.598 189.637 1.00 75.18 N +ATOM 1171 CA ALA A 201 241.093 93.725 188.979 1.00 84.90 C +ATOM 1172 C ALA A 201 239.789 93.860 189.751 1.00 91.91 C +ATOM 1173 O ALA A 201 239.800 94.214 190.929 1.00 89.51 O +ATOM 1174 CB ALA A 201 241.579 92.278 189.022 1.00 81.83 C +ATOM 1175 N ILE A 202 238.660 93.607 189.097 1.00 78.80 N +ATOM 1176 CA ILE A 202 237.378 93.698 189.795 1.00 91.70 C +ATOM 1177 C ILE A 202 236.697 92.326 189.886 1.00 95.28 C +ATOM 1178 O ILE A 202 236.837 91.488 188.995 1.00 88.21 O +ATOM 1179 CB ILE A 202 236.454 94.707 189.121 1.00 76.30 C +ATOM 1180 CG1 ILE A 202 235.623 94.029 188.059 1.00 78.45 C +ATOM 1181 CG2 ILE A 202 237.278 95.772 188.468 1.00 61.72 C +ATOM 1182 CD1 ILE A 202 234.681 94.991 187.390 1.00169.28 C +ATOM 1183 N LEU A 203 235.975 92.102 190.981 1.00 93.25 N +ATOM 1184 CA LEU A 203 235.308 90.821 191.231 1.00 66.28 C +ATOM 1185 C LEU A 203 233.935 90.746 190.587 1.00 67.61 C +ATOM 1186 O LEU A 203 233.137 91.681 190.695 1.00 68.70 O +ATOM 1187 CB LEU A 203 235.195 90.599 192.745 1.00 73.90 C +ATOM 1188 CG LEU A 203 234.947 89.189 193.273 1.00 52.16 C +ATOM 1189 CD1 LEU A 203 236.016 88.244 192.783 1.00 61.94 C +ATOM 1190 CD2 LEU A 203 234.956 89.228 194.779 1.00 85.31 C +ATOM 1191 N LYS A 204 233.665 89.628 189.919 1.00 58.34 N +ATOM 1192 CA LYS A 204 232.392 89.434 189.243 1.00 58.89 C +ATOM 1193 C LYS A 204 231.788 88.047 189.423 1.00 73.88 C +ATOM 1194 O LYS A 204 232.490 87.027 189.406 1.00 67.59 O +ATOM 1195 CB LYS A 204 232.540 89.740 187.750 1.00 68.02 C +ATOM 1196 CG LYS A 204 232.844 91.199 187.461 1.00 64.40 C +ATOM 1197 CD LYS A 204 232.603 91.552 186.008 1.00 62.63 C +ATOM 1198 CE LYS A 204 232.786 93.033 185.788 1.00 71.16 C +ATOM 1199 NZ LYS A 204 232.247 93.468 184.487 1.00 94.63 N +ATOM 1200 N LEU A 205 230.472 88.023 189.586 1.00 66.05 N +ATOM 1201 CA LEU A 205 229.750 86.781 189.782 1.00 63.28 C +ATOM 1202 C LEU A 205 229.296 86.241 188.452 1.00 53.73 C +ATOM 1203 O LEU A 205 228.884 87.001 187.583 1.00 55.72 O +ATOM 1204 CB LEU A 205 228.540 87.024 190.680 1.00 64.69 C +ATOM 1205 CG LEU A 205 227.514 85.905 190.813 1.00 47.19 C +ATOM 1206 CD1 LEU A 205 228.150 84.657 191.394 1.00 81.96 C +ATOM 1207 CD2 LEU A 205 226.397 86.387 191.695 1.00 64.88 C +ATOM 1208 N THR A 206 229.374 84.926 188.300 1.00 53.81 N +ATOM 1209 CA THR A 206 228.976 84.363 187.015 1.00 65.26 C +ATOM 1210 C THR A 206 228.175 83.071 187.188 1.00 53.82 C +ATOM 1211 O THR A 206 227.988 82.556 188.283 1.00 71.37 O +ATOM 1212 CB THR A 206 230.241 84.083 186.203 1.00 61.13 C +ATOM 1213 OG1 THR A 206 230.968 83.019 186.821 1.00 57.86 O +ATOM 1214 CG2 THR A 206 231.129 85.331 186.165 1.00 74.17 C +ATOM 1215 N ASP A 207 227.657 82.569 186.051 1.00 79.42 N +ATOM 1216 CA ASP A 207 226.909 81.318 186.086 1.00 59.92 C +ATOM 1217 C ASP A 207 225.453 81.534 186.504 1.00 58.53 C +ATOM 1218 O ASP A 207 225.143 81.930 187.620 1.00 80.39 O +ATOM 1219 CB ASP A 207 227.599 80.372 187.069 1.00 60.66 C +ATOM 1220 CG ASP A 207 227.153 78.944 186.787 1.00 80.61 C +ATOM 1221 OD1 ASP A 207 226.302 78.773 185.913 1.00 83.40 O +ATOM 1222 OD2 ASP A 207 227.653 78.029 187.436 1.00 77.29 O +ATOM 1223 N PHE A 208 224.545 81.298 185.539 1.00 57.58 N +ATOM 1224 CA PHE A 208 223.124 81.428 185.838 1.00 65.42 C +ATOM 1225 C PHE A 208 222.380 80.116 185.581 1.00 55.77 C +ATOM 1226 O PHE A 208 221.168 80.082 185.411 1.00 71.33 O +ATOM 1227 CB PHE A 208 222.547 82.534 184.954 1.00 41.42 C +ATOM 1228 CG PHE A 208 222.872 83.876 185.540 1.00 55.64 C +ATOM 1229 CD1 PHE A 208 224.196 84.290 185.613 1.00 30.42 C +ATOM 1230 CD2 PHE A 208 221.853 84.706 185.978 1.00 49.87 C +ATOM 1231 CE1 PHE A 208 224.499 85.545 186.122 1.00 68.91 C +ATOM 1232 CE2 PHE A 208 222.165 85.964 186.486 1.00 47.56 C +ATOM 1233 CZ PHE A 208 223.486 86.389 186.558 1.00 56.42 C +ATOM 1234 N GLY A 209 223.139 79.032 185.556 1.00 61.07 N +ATOM 1235 CA GLY A 209 222.547 77.727 185.313 1.00 72.68 C +ATOM 1236 C GLY A 209 221.409 77.412 186.261 1.00 73.62 C +ATOM 1237 O GLY A 209 220.608 76.525 185.988 1.00 77.98 O +ATOM 1238 N PHE A 210 221.352 78.128 187.382 1.00 83.69 N +ATOM 1239 CA PHE A 210 220.290 77.940 188.362 1.00 69.57 C +ATOM 1240 C PHE A 210 219.538 79.240 188.621 1.00 81.37 C +ATOM 1241 O PHE A 210 218.671 79.281 189.485 1.00 58.29 O +ATOM 1242 CB PHE A 210 220.841 77.442 189.694 1.00 67.31 C +ATOM 1243 CG PHE A 210 221.563 76.143 189.608 1.00 73.06 C +ATOM 1244 CD1 PHE A 210 220.948 75.034 189.064 1.00114.78 C +ATOM 1245 CD2 PHE A 210 222.851 76.019 190.099 1.00 90.32 C +ATOM 1246 CE1 PHE A 210 221.599 73.816 189.010 1.00109.98 C +ATOM 1247 CE2 PHE A 210 223.512 74.806 190.050 1.00108.27 C +ATOM 1248 CZ PHE A 210 222.883 73.702 189.504 1.00132.84 C +ATOM 1249 N ALA A 211 219.886 80.302 187.897 1.00 81.89 N +ATOM 1250 CA ALA A 211 219.212 81.589 188.060 1.00 69.02 C +ATOM 1251 C ALA A 211 217.727 81.332 187.960 1.00 58.89 C +ATOM 1252 O ALA A 211 217.302 80.474 187.198 1.00 66.98 O +ATOM 1253 CB ALA A 211 219.636 82.550 186.968 1.00 73.43 C +ATOM 1254 N LYS A 212 216.934 82.068 188.724 1.00 66.85 N +ATOM 1255 CA LYS A 212 215.497 81.865 188.688 1.00 74.67 C +ATOM 1256 C LYS A 212 214.704 83.123 189.034 1.00 69.94 C +ATOM 1257 O LYS A 212 215.037 83.845 189.978 1.00 68.45 O +ATOM 1258 CB LYS A 212 215.120 80.722 189.638 1.00 70.15 C +ATOM 1259 CG LYS A 212 213.648 80.362 189.598 1.00104.51 C +ATOM 1260 CD LYS A 212 213.266 79.331 190.660 1.00157.53 C +ATOM 1261 CE LYS A 212 211.736 79.184 190.773 1.00119.37 C +ATOM 1262 NZ LYS A 212 211.330 78.105 191.715 1.00 93.54 N +ATOM 1263 N GLU A 213 213.659 83.376 188.250 1.00 52.90 N +ATOM 1264 CA GLU A 213 212.640 84.401 188.474 1.00 53.07 C +ATOM 1265 C GLU A 213 211.701 84.066 189.634 1.00 74.84 C +ATOM 1266 O GLU A 213 211.121 82.993 189.727 1.00 77.86 O +ATOM 1267 CB GLU A 213 211.823 84.573 187.196 1.00 70.72 C +ATOM 1268 CG GLU A 213 211.588 86.044 186.868 1.00 92.25 C +ATOM 1269 CD GLU A 213 210.792 86.147 185.593 1.00152.81 C +ATOM 1270 OE1 GLU A 213 211.149 85.486 184.630 1.00137.21 O +ATOM 1271 OE2 GLU A 213 209.811 86.890 185.572 1.00179.15 O +ATOM 1272 N THR A 214 211.566 85.040 190.550 1.00 74.12 N +ATOM 1273 CA THR A 214 210.946 84.846 191.844 1.00 73.32 C +ATOM 1274 C THR A 214 209.599 85.539 191.811 1.00 91.51 C +ATOM 1275 O THR A 214 208.875 85.530 192.746 1.00 84.09 O +ATOM 1276 CB THR A 214 211.829 85.418 193.002 1.00 76.21 C +ATOM 1277 OG1 THR A 214 211.685 86.814 193.077 1.00 75.06 O +ATOM 1278 CG2 THR A 214 213.304 85.004 192.942 1.00 84.21 C +ATOM 1279 N THR A 215 209.296 86.179 190.655 1.00103.67 N +ATOM 1280 CA THR A 215 208.068 86.940 190.578 1.00117.08 C +ATOM 1281 C THR A 215 207.203 86.656 189.338 1.00132.47 C +ATOM 1282 O THR A 215 207.633 86.786 188.191 1.00126.69 O +ATOM 1283 CB THR A 215 208.479 88.440 190.630 1.00121.50 C +ATOM 1284 OG1 THR A 215 207.672 89.088 191.578 1.00147.96 O +ATOM 1285 CG2 THR A 215 208.343 89.158 189.275 1.00141.58 C +ATOM 1286 N SER A 216 205.966 86.189 189.650 1.00158.51 N +ATOM 1287 CA SER A 216 204.845 86.096 188.694 1.00179.90 C +ATOM 1288 C SER A 216 203.928 87.329 188.820 1.00187.54 C +ATOM 1289 O SER A 216 204.224 88.320 189.462 1.00190.38 O +ATOM 1290 CB SER A 216 204.099 84.820 189.105 1.00182.30 C +ATOM 1291 OG SER A 216 204.367 83.807 188.123 1.00180.54 O +ATOM 1292 N HIS A 217 202.769 87.282 188.108 1.00196.43 N +ATOM 1293 CA HIS A 217 202.469 86.126 187.269 1.00199.51 C +ATOM 1294 C HIS A 217 203.160 86.219 185.905 1.00200.36 C +ATOM 1295 O HIS A 217 203.762 85.266 185.431 1.00198.75 O +ATOM 1296 CB HIS A 217 200.962 85.982 187.116 1.00203.06 C +ATOM 1297 CG HIS A 217 200.427 87.151 186.329 1.00202.54 C +ATOM 1298 ND1 HIS A 217 200.399 88.411 186.833 1.00209.62 N +ATOM 1299 CD2 HIS A 217 200.246 87.237 184.940 1.00198.21 C +ATOM 1300 CE1 HIS A 217 200.341 89.221 185.774 1.00218.59 C +ATOM 1301 NE2 HIS A 217 200.244 88.547 184.630 1.00213.16 N +ATOM 1302 N PRO A 227 200.093 101.757 196.180 1.00 80.66 N +ATOM 1303 CA PRO A 227 199.610 102.177 197.501 1.00 91.16 C +ATOM 1304 C PRO A 227 200.779 102.245 198.470 1.00 90.45 C +ATOM 1305 O PRO A 227 201.209 101.232 199.018 1.00104.90 O +ATOM 1306 CB PRO A 227 198.615 101.079 197.871 1.00 94.28 C +ATOM 1307 CG PRO A 227 198.095 100.647 196.537 1.00102.33 C +ATOM 1308 CD PRO A 227 199.356 100.570 195.721 1.00 98.69 C +ATOM 1309 N TYR A 228 201.286 103.451 198.674 1.00 91.57 N +ATOM 1310 CA TYR A 228 202.437 103.675 199.536 1.00 98.53 C +ATOM 1311 C TYR A 228 202.339 102.969 200.883 1.00 87.42 C +ATOM 1312 O TYR A 228 203.355 102.749 201.542 1.00 95.70 O +ATOM 1313 CB TYR A 228 202.624 105.177 199.768 1.00104.50 C +ATOM 1314 CG TYR A 228 201.647 105.749 200.759 1.00100.42 C +ATOM 1315 CD1 TYR A 228 201.858 105.610 202.122 1.00 88.02 C +ATOM 1316 CD2 TYR A 228 200.464 106.334 200.337 1.00 96.43 C +ATOM 1317 CE1 TYR A 228 200.913 106.024 203.046 1.00102.20 C +ATOM 1318 CE2 TYR A 228 199.504 106.752 201.257 1.00142.48 C +ATOM 1319 CZ TYR A 228 199.735 106.586 202.612 1.00124.03 C +ATOM 1320 OH TYR A 228 198.771 106.927 203.537 1.00117.36 O +ATOM 1321 N TYR A 229 201.127 102.593 201.280 1.00 73.60 N +ATOM 1322 CA TYR A 229 200.903 101.962 202.580 1.00 85.67 C +ATOM 1323 C TYR A 229 200.710 100.443 202.602 1.00 89.04 C +ATOM 1324 O TYR A 229 200.464 99.872 203.658 1.00 98.52 O +ATOM 1325 CB TYR A 229 199.696 102.629 203.248 1.00 73.23 C +ATOM 1326 CG TYR A 229 198.393 102.323 202.553 1.00 86.83 C +ATOM 1327 CD1 TYR A 229 197.748 101.111 202.750 1.00115.70 C +ATOM 1328 CD2 TYR A 229 197.838 103.216 201.656 1.00102.84 C +ATOM 1329 CE1 TYR A 229 196.581 100.793 202.066 1.00137.89 C +ATOM 1330 CE2 TYR A 229 196.674 102.908 200.961 1.00124.32 C +ATOM 1331 CZ TYR A 229 196.047 101.694 201.168 1.00127.06 C +ATOM 1332 OH TYR A 229 194.889 101.381 200.477 1.00149.86 O +ATOM 1333 N VAL A 230 200.812 99.785 201.453 1.00 92.87 N +ATOM 1334 CA VAL A 230 200.633 98.335 201.401 1.00 81.27 C +ATOM 1335 C VAL A 230 201.930 97.587 201.726 1.00 75.38 C +ATOM 1336 O VAL A 230 203.016 98.069 201.442 1.00 80.47 O +ATOM 1337 CB VAL A 230 200.116 97.897 200.008 1.00 78.39 C +ATOM 1338 CG1 VAL A 230 201.070 98.367 198.917 1.00 88.77 C +ATOM 1339 CG2 VAL A 230 199.960 96.396 199.962 1.00 93.18 C +ATOM 1340 N ALA A 231 201.806 96.411 202.330 1.00 74.39 N +ATOM 1341 CA ALA A 231 202.962 95.606 202.703 1.00 71.83 C +ATOM 1342 C ALA A 231 203.429 94.715 201.564 1.00 75.14 C +ATOM 1343 O ALA A 231 202.628 94.232 200.767 1.00 77.29 O +ATOM 1344 CB ALA A 231 202.629 94.752 203.906 1.00 75.67 C +ATOM 1345 N PRO A 232 204.743 94.463 201.498 1.00 80.99 N +ATOM 1346 CA PRO A 232 205.412 93.639 200.490 1.00 79.87 C +ATOM 1347 C PRO A 232 204.769 92.279 200.303 1.00 71.74 C +ATOM 1348 O PRO A 232 204.797 91.706 199.222 1.00 79.81 O +ATOM 1349 CB PRO A 232 206.837 93.544 201.021 1.00 77.93 C +ATOM 1350 CG PRO A 232 206.667 93.721 202.506 1.00 73.68 C +ATOM 1351 CD PRO A 232 205.675 94.829 202.576 1.00 75.44 C +ATOM 1352 N GLU A 233 204.185 91.762 201.367 1.00 78.47 N +ATOM 1353 CA GLU A 233 203.534 90.461 201.313 1.00 77.99 C +ATOM 1354 C GLU A 233 202.382 90.567 200.333 1.00 77.38 C +ATOM 1355 O GLU A 233 202.310 89.824 199.356 1.00 88.31 O +ATOM 1356 CB GLU A 233 203.006 90.120 202.695 1.00 67.34 C +ATOM 1357 CG GLU A 233 203.819 90.813 203.754 1.00 79.16 C +ATOM 1358 CD GLU A 233 203.074 91.008 205.036 1.00 86.62 C +ATOM 1359 OE1 GLU A 233 203.666 91.592 205.953 1.00 72.11 O +ATOM 1360 OE2 GLU A 233 201.905 90.581 205.133 1.00107.24 O +ATOM 1361 N VAL A 234 201.494 91.523 200.596 1.00 86.00 N +ATOM 1362 CA VAL A 234 200.322 91.745 199.766 1.00 75.09 C +ATOM 1363 C VAL A 234 200.643 91.931 198.295 1.00 83.28 C +ATOM 1364 O VAL A 234 199.859 91.542 197.436 1.00 78.54 O +ATOM 1365 CB VAL A 234 199.552 92.959 200.249 1.00 71.61 C +ATOM 1366 CG1 VAL A 234 198.252 93.088 199.474 1.00102.31 C +ATOM 1367 CG2 VAL A 234 199.298 92.832 201.737 1.00 93.29 C +ATOM 1368 N LEU A 235 201.793 92.528 198.003 1.00 93.82 N +ATOM 1369 CA LEU A 235 202.204 92.740 196.619 1.00 91.56 C +ATOM 1370 C LEU A 235 202.115 91.432 195.842 1.00110.37 C +ATOM 1371 O LEU A 235 202.120 91.419 194.606 1.00122.67 O +ATOM 1372 CB LEU A 235 203.640 93.253 196.557 1.00 95.45 C +ATOM 1373 CG LEU A 235 203.876 94.717 196.884 1.00 75.77 C +ATOM 1374 CD1 LEU A 235 204.496 95.392 195.686 1.00 96.15 C +ATOM 1375 CD2 LEU A 235 202.569 95.369 197.252 1.00112.18 C +ATOM 1376 N GLY A 236 202.045 90.324 196.571 1.00110.40 N +ATOM 1377 CA GLY A 236 201.954 89.038 195.920 1.00118.60 C +ATOM 1378 C GLY A 236 202.944 88.043 196.484 1.00125.02 C +ATOM 1379 O GLY A 236 203.917 88.425 197.138 1.00106.36 O +ATOM 1380 N PRO A 237 202.703 86.743 196.250 1.00136.19 N +ATOM 1381 CA PRO A 237 203.541 85.638 196.713 1.00143.31 C +ATOM 1382 C PRO A 237 204.631 85.327 195.712 1.00149.24 C +ATOM 1383 O PRO A 237 204.352 84.852 194.610 1.00159.46 O +ATOM 1384 CB PRO A 237 202.554 84.492 196.808 1.00142.67 C +ATOM 1385 CG PRO A 237 201.742 84.717 195.577 1.00137.14 C +ATOM 1386 CD PRO A 237 201.458 86.216 195.657 1.00142.83 C +ATOM 1387 N GLU A 238 205.870 85.588 196.100 1.00152.17 N +ATOM 1388 CA GLU A 238 207.009 85.317 195.240 1.00151.75 C +ATOM 1389 C GLU A 238 207.915 84.333 195.970 1.00146.33 C +ATOM 1390 O GLU A 238 208.569 84.693 196.947 1.00140.83 O +ATOM 1391 CB GLU A 238 207.756 86.612 194.947 1.00159.51 C +ATOM 1392 N LYS A 239 207.946 83.088 195.505 1.00149.80 N +ATOM 1393 CA LYS A 239 208.766 82.065 196.149 1.00156.32 C +ATOM 1394 C LYS A 239 210.185 81.967 195.586 1.00150.12 C +ATOM 1395 O LYS A 239 210.716 82.933 195.040 1.00143.93 O +ATOM 1396 CB LYS A 239 208.073 80.713 196.060 1.00165.04 C +ATOM 1397 N TYR A 240 210.788 80.789 195.728 1.00145.44 N +ATOM 1398 CA TYR A 240 212.161 80.541 195.280 1.00128.29 C +ATOM 1399 C TYR A 240 213.107 81.446 196.059 1.00128.18 C +ATOM 1400 O TYR A 240 214.257 81.626 195.673 1.00107.42 O +ATOM 1401 CB TYR A 240 212.293 80.806 193.785 1.00114.46 C +ATOM 1402 N ASP A 241 212.598 81.985 197.167 1.00142.36 N +ATOM 1403 CA ASP A 241 213.317 82.909 198.046 1.00144.32 C +ATOM 1404 C ASP A 241 214.836 82.926 197.861 1.00131.50 C +ATOM 1405 O ASP A 241 215.496 81.886 197.846 1.00121.60 O +ATOM 1406 CB ASP A 241 212.971 82.615 199.513 1.00155.32 C +ATOM 1407 CG ASP A 241 213.448 83.712 200.469 1.00166.53 C +ATOM 1408 OD1 ASP A 241 213.226 83.563 201.690 1.00177.22 O +ATOM 1409 OD2 ASP A 241 214.026 84.720 200.004 1.00173.19 O +ATOM 1410 N LYS A 242 215.369 84.133 197.716 1.00106.74 N +ATOM 1411 CA LYS A 242 216.787 84.344 197.525 1.00 86.50 C +ATOM 1412 C LYS A 242 217.611 84.131 198.779 1.00 99.35 C +ATOM 1413 O LYS A 242 218.833 84.245 198.738 1.00106.37 O +ATOM 1414 CB LYS A 242 217.044 85.758 197.017 1.00 97.76 C +ATOM 1415 CG LYS A 242 215.893 86.735 197.167 1.00 71.36 C +ATOM 1416 CD LYS A 242 215.009 86.697 195.932 1.00103.00 C +ATOM 1417 CE LYS A 242 214.110 87.928 195.850 1.00138.19 C +ATOM 1418 NZ LYS A 242 213.337 88.031 194.570 1.00123.67 N +ATOM 1419 N SER A 243 216.953 83.831 199.894 1.00 97.75 N +ATOM 1420 CA SER A 243 217.650 83.624 201.165 1.00 84.81 C +ATOM 1421 C SER A 243 218.935 82.808 201.061 1.00 82.48 C +ATOM 1422 O SER A 243 219.947 83.156 201.672 1.00 74.56 O +ATOM 1423 CB SER A 243 216.717 82.963 202.160 1.00 77.67 C +ATOM 1424 OG SER A 243 215.576 83.776 202.336 1.00121.59 O +ATOM 1425 N CYS A 244 218.906 81.718 200.304 1.00 67.22 N +ATOM 1426 CA CYS A 244 220.107 80.921 200.148 1.00 78.41 C +ATOM 1427 C CYS A 244 221.238 81.841 199.703 1.00 64.58 C +ATOM 1428 O CYS A 244 222.365 81.703 200.171 1.00 67.24 O +ATOM 1429 CB CYS A 244 219.885 79.820 199.117 1.00 64.99 C +ATOM 1430 SG CYS A 244 219.278 80.410 197.539 1.00 91.08 S +ATOM 1431 N ASP A 245 220.933 82.777 198.804 1.00 49.99 N +ATOM 1432 CA ASP A 245 221.931 83.724 198.319 1.00 45.00 C +ATOM 1433 C ASP A 245 222.627 84.380 199.510 1.00 60.39 C +ATOM 1434 O ASP A 245 223.856 84.484 199.532 1.00 67.65 O +ATOM 1435 CB ASP A 245 221.287 84.814 197.456 1.00 69.55 C +ATOM 1436 CG ASP A 245 220.970 84.352 196.044 1.00 60.27 C +ATOM 1437 OD1 ASP A 245 221.440 83.266 195.644 1.00 73.75 O +ATOM 1438 OD2 ASP A 245 220.261 85.094 195.327 1.00 70.27 O +ATOM 1439 N MET A 246 221.839 84.819 200.497 1.00 43.54 N +ATOM 1440 CA MET A 246 222.388 85.456 201.695 1.00 64.86 C +ATOM 1441 C MET A 246 223.195 84.479 202.539 1.00 67.48 C +ATOM 1442 O MET A 246 224.122 84.880 203.250 1.00 67.31 O +ATOM 1443 CB MET A 246 221.285 86.049 202.558 1.00 52.62 C +ATOM 1444 CG MET A 246 220.483 87.102 201.868 1.00 60.79 C +ATOM 1445 SD MET A 246 221.517 88.262 201.008 1.00 66.30 S +ATOM 1446 CE MET A 246 222.196 89.233 202.364 1.00 55.43 C +ATOM 1447 N TRP A 247 222.833 83.200 202.474 1.00 54.14 N +ATOM 1448 CA TRP A 247 223.551 82.177 203.215 1.00 62.36 C +ATOM 1449 C TRP A 247 224.934 82.015 202.592 1.00 62.90 C +ATOM 1450 O TRP A 247 225.951 82.071 203.287 1.00 62.42 O +ATOM 1451 CB TRP A 247 222.784 80.860 203.162 1.00 69.04 C +ATOM 1452 CG TRP A 247 223.544 79.696 203.717 1.00 86.20 C +ATOM 1453 CD1 TRP A 247 224.418 78.902 203.046 1.00 72.11 C +ATOM 1454 CD2 TRP A 247 223.529 79.220 205.076 1.00 75.65 C +ATOM 1455 NE1 TRP A 247 224.952 77.958 203.896 1.00 81.90 N +ATOM 1456 CE2 TRP A 247 224.424 78.136 205.147 1.00 68.57 C +ATOM 1457 CE3 TRP A 247 222.846 79.610 206.237 1.00 91.13 C +ATOM 1458 CZ2 TRP A 247 224.660 77.438 206.329 1.00 68.02 C +ATOM 1459 CZ3 TRP A 247 223.079 78.913 207.411 1.00 82.48 C +ATOM 1460 CH2 TRP A 247 223.979 77.841 207.447 1.00 74.62 C +ATOM 1461 N SER A 248 224.959 81.829 201.274 1.00 77.02 N +ATOM 1462 CA SER A 248 226.203 81.676 200.531 1.00 73.53 C +ATOM 1463 C SER A 248 227.156 82.786 200.892 1.00 80.75 C +ATOM 1464 O SER A 248 228.369 82.583 200.943 1.00 84.06 O +ATOM 1465 CB SER A 248 225.930 81.731 199.043 1.00 67.92 C +ATOM 1466 OG SER A 248 225.112 80.642 198.668 1.00118.25 O +ATOM 1467 N LEU A 249 226.593 83.967 201.130 1.00 76.04 N +ATOM 1468 CA LEU A 249 227.378 85.132 201.506 1.00 82.09 C +ATOM 1469 C LEU A 249 228.081 84.869 202.845 1.00 84.27 C +ATOM 1470 O LEU A 249 229.298 85.035 202.960 1.00 83.90 O +ATOM 1471 CB LEU A 249 226.473 86.363 201.610 1.00 85.62 C +ATOM 1472 CG LEU A 249 227.049 87.629 200.964 1.00 77.42 C +ATOM 1473 CD1 LEU A 249 227.250 87.346 199.493 1.00 68.42 C +ATOM 1474 CD2 LEU A 249 226.119 88.832 201.153 1.00 95.64 C +ATOM 1475 N GLY A 250 227.318 84.449 203.851 1.00 64.22 N +ATOM 1476 CA GLY A 250 227.915 84.165 205.147 1.00 62.72 C +ATOM 1477 C GLY A 250 229.103 83.231 204.998 1.00 63.71 C +ATOM 1478 O GLY A 250 230.220 83.544 205.418 1.00 57.98 O +ATOM 1479 N VAL A 251 228.855 82.076 204.387 1.00 57.35 N +ATOM 1480 CA VAL A 251 229.902 81.091 204.152 1.00 72.77 C +ATOM 1481 C VAL A 251 231.130 81.779 203.587 1.00 65.76 C +ATOM 1482 O VAL A 251 232.239 81.624 204.093 1.00 72.08 O +ATOM 1483 CB VAL A 251 229.474 80.052 203.129 1.00 72.02 C +ATOM 1484 CG1 VAL A 251 230.627 79.119 202.852 1.00 48.81 C +ATOM 1485 CG2 VAL A 251 228.255 79.312 203.617 1.00 45.51 C +ATOM 1486 N ILE A 252 230.927 82.544 202.525 1.00 65.58 N +ATOM 1487 CA ILE A 252 232.036 83.248 201.899 1.00 68.61 C +ATOM 1488 C ILE A 252 232.722 84.197 202.876 1.00 77.12 C +ATOM 1489 O ILE A 252 233.932 84.098 203.088 1.00 79.18 O +ATOM 1490 CB ILE A 252 231.564 84.008 200.634 1.00 65.58 C +ATOM 1491 CG1 ILE A 252 231.151 82.989 199.570 1.00 42.53 C +ATOM 1492 CG2 ILE A 252 232.679 84.891 200.102 1.00 53.46 C +ATOM 1493 CD1 ILE A 252 230.557 83.587 198.355 1.00 59.04 C +ATOM 1494 N MET A 253 231.956 85.091 203.498 1.00 72.95 N +ATOM 1495 CA MET A 253 232.553 86.028 204.444 1.00 81.03 C +ATOM 1496 C MET A 253 233.367 85.286 205.497 1.00 75.68 C +ATOM 1497 O MET A 253 234.460 85.724 205.883 1.00 79.62 O +ATOM 1498 CB MET A 253 231.486 86.866 205.149 1.00 64.17 C +ATOM 1499 CG MET A 253 232.083 88.081 205.819 1.00 54.30 C +ATOM 1500 SD MET A 253 230.954 88.969 206.885 1.00 85.00 S +ATOM 1501 CE MET A 253 229.555 89.250 205.802 1.00 83.83 C +ATOM 1502 N TYR A 254 232.829 84.161 205.960 1.00 81.14 N +ATOM 1503 CA TYR A 254 233.513 83.370 206.969 1.00 68.03 C +ATOM 1504 C TYR A 254 234.879 83.008 206.419 1.00 74.50 C +ATOM 1505 O TYR A 254 235.901 83.519 206.879 1.00 78.65 O +ATOM 1506 CB TYR A 254 232.711 82.107 207.279 1.00 66.09 C +ATOM 1507 CG TYR A 254 233.253 81.291 208.427 1.00 68.80 C +ATOM 1508 CD1 TYR A 254 234.285 80.388 208.230 1.00 93.85 C +ATOM 1509 CD2 TYR A 254 232.739 81.434 209.713 1.00 66.37 C +ATOM 1510 CE1 TYR A 254 234.797 79.640 209.281 1.00 93.85 C +ATOM 1511 CE2 TYR A 254 233.238 80.696 210.775 1.00 60.25 C +ATOM 1512 CZ TYR A 254 234.270 79.797 210.553 1.00 78.16 C +ATOM 1513 OH TYR A 254 234.780 79.043 211.592 1.00 83.85 O +ATOM 1514 N ILE A 255 234.876 82.148 205.405 1.00 71.34 N +ATOM 1515 CA ILE A 255 236.099 81.690 204.774 1.00 61.37 C +ATOM 1516 C ILE A 255 237.128 82.782 204.558 1.00 76.55 C +ATOM 1517 O ILE A 255 238.298 82.590 204.870 1.00 92.35 O +ATOM 1518 CB ILE A 255 235.810 81.046 203.443 1.00 62.35 C +ATOM 1519 CG1 ILE A 255 234.928 79.819 203.653 1.00 62.67 C +ATOM 1520 CG2 ILE A 255 237.107 80.661 202.790 1.00 76.47 C +ATOM 1521 CD1 ILE A 255 234.514 79.131 202.387 1.00 57.99 C +ATOM 1522 N LEU A 256 236.709 83.925 204.024 1.00 73.36 N +ATOM 1523 CA LEU A 256 237.647 85.022 203.809 1.00 76.61 C +ATOM 1524 C LEU A 256 238.466 85.295 205.065 1.00 80.02 C +ATOM 1525 O LEU A 256 239.681 85.116 205.074 1.00 95.93 O +ATOM 1526 CB LEU A 256 236.921 86.316 203.430 1.00 82.53 C +ATOM 1527 CG LEU A 256 236.503 86.623 201.991 1.00 67.94 C +ATOM 1528 CD1 LEU A 256 236.199 88.119 201.870 1.00 83.50 C +ATOM 1529 CD2 LEU A 256 237.615 86.248 201.038 1.00 61.15 C +ATOM 1530 N LEU A 257 237.780 85.718 206.124 1.00 64.99 N +ATOM 1531 CA LEU A 257 238.407 86.060 207.399 1.00 83.07 C +ATOM 1532 C LEU A 257 239.336 85.046 208.090 1.00 92.07 C +ATOM 1533 O LEU A 257 240.175 85.450 208.897 1.00 79.63 O +ATOM 1534 CB LEU A 257 237.331 86.467 208.402 1.00 65.07 C +ATOM 1535 CG LEU A 257 236.445 87.661 208.054 1.00 72.20 C +ATOM 1536 CD1 LEU A 257 235.475 87.888 209.185 1.00109.20 C +ATOM 1537 CD2 LEU A 257 237.282 88.906 207.843 1.00 77.76 C +ATOM 1538 N CYS A 258 239.211 83.751 207.805 1.00 84.06 N +ATOM 1539 CA CYS A 258 240.068 82.782 208.486 1.00 65.38 C +ATOM 1540 C CYS A 258 240.811 81.822 207.572 1.00 79.35 C +ATOM 1541 O CYS A 258 241.865 81.305 207.936 1.00 89.35 O +ATOM 1542 CB CYS A 258 239.250 81.952 209.465 1.00 74.82 C +ATOM 1543 SG CYS A 258 238.333 80.661 208.627 1.00 88.33 S +ATOM 1544 N GLY A 259 240.259 81.552 206.397 1.00 77.77 N +ATOM 1545 CA GLY A 259 240.927 80.636 205.491 1.00 86.18 C +ATOM 1546 C GLY A 259 240.211 79.311 205.306 1.00 84.64 C +ATOM 1547 O GLY A 259 240.562 78.538 204.415 1.00 91.47 O +ATOM 1548 N TYR A 260 239.219 79.030 206.145 1.00 80.25 N +ATOM 1549 CA TYR A 260 238.454 77.788 206.024 1.00 85.40 C +ATOM 1550 C TYR A 260 236.969 78.064 206.208 1.00 92.78 C +ATOM 1551 O TYR A 260 236.587 79.064 206.813 1.00109.20 O +ATOM 1552 CB TYR A 260 238.936 76.760 207.050 1.00 90.73 C +ATOM 1553 CG TYR A 260 239.030 77.305 208.451 1.00 78.95 C +ATOM 1554 CD1 TYR A 260 237.942 77.261 209.312 1.00 99.14 C +ATOM 1555 CD2 TYR A 260 240.204 77.892 208.904 1.00 82.37 C +ATOM 1556 CE1 TYR A 260 238.023 77.785 210.585 1.00 88.16 C +ATOM 1557 CE2 TYR A 260 240.292 78.420 210.173 1.00 97.24 C +ATOM 1558 CZ TYR A 260 239.201 78.364 211.007 1.00 67.63 C +ATOM 1559 OH TYR A 260 239.298 78.896 212.269 1.00 84.01 O +ATOM 1560 N PRO A 261 236.114 77.183 205.676 1.00 89.49 N +ATOM 1561 CA PRO A 261 234.656 77.296 205.753 1.00103.35 C +ATOM 1562 C PRO A 261 234.107 77.095 207.161 1.00 96.36 C +ATOM 1563 O PRO A 261 234.743 76.459 207.995 1.00100.89 O +ATOM 1564 CB PRO A 261 234.185 76.209 204.791 1.00 98.88 C +ATOM 1565 CG PRO A 261 235.208 75.152 204.996 1.00 95.80 C +ATOM 1566 CD PRO A 261 236.493 75.962 204.950 1.00 91.52 C +ATOM 1567 N PRO A 262 232.918 77.653 207.444 1.00 94.45 N +ATOM 1568 CA PRO A 262 232.337 77.488 208.773 1.00 85.15 C +ATOM 1569 C PRO A 262 232.015 76.028 209.043 1.00 68.20 C +ATOM 1570 O PRO A 262 232.519 75.448 209.998 1.00106.94 O +ATOM 1571 CB PRO A 262 231.092 78.368 208.717 1.00 75.57 C +ATOM 1572 CG PRO A 262 230.721 78.337 207.278 1.00 64.63 C +ATOM 1573 CD PRO A 262 232.053 78.504 206.609 1.00 99.03 C +ATOM 1574 N PHE A 263 231.200 75.419 208.191 1.00 73.57 N +ATOM 1575 CA PHE A 263 230.838 74.021 208.393 1.00 79.36 C +ATOM 1576 C PHE A 263 231.864 73.093 207.757 1.00106.15 C +ATOM 1577 O PHE A 263 231.972 73.009 206.530 1.00105.28 O +ATOM 1578 CB PHE A 263 229.428 73.777 207.848 1.00 69.85 C +ATOM 1579 CG PHE A 263 228.420 74.759 208.374 1.00 81.28 C +ATOM 1580 CD1 PHE A 263 228.128 75.917 207.677 1.00113.87 C +ATOM 1581 CD2 PHE A 263 227.845 74.573 209.613 1.00117.67 C +ATOM 1582 CE1 PHE A 263 227.285 76.867 208.205 1.00 85.69 C +ATOM 1583 CE2 PHE A 263 227.004 75.520 210.145 1.00108.39 C +ATOM 1584 CZ PHE A 263 226.729 76.670 209.437 1.00117.73 C +ATOM 1585 N TYR A 264 232.620 72.408 208.622 1.00134.25 N +ATOM 1586 CA TYR A 264 233.681 71.497 208.197 1.00147.77 C +ATOM 1587 C TYR A 264 233.192 70.094 207.848 1.00140.09 C +ATOM 1588 O TYR A 264 232.006 69.787 207.979 1.00138.93 O +ATOM 1589 CB TYR A 264 234.775 71.405 209.284 1.00153.86 C +ATOM 1590 CG TYR A 264 236.191 71.629 208.760 1.00157.09 C +ATOM 1591 CD1 TYR A 264 237.265 70.886 209.250 1.00193.79 C +ATOM 1592 CD2 TYR A 264 236.448 72.574 207.768 1.00140.55 C +ATOM 1593 CE1 TYR A 264 238.553 71.074 208.764 1.00220.80 C +ATOM 1594 CE2 TYR A 264 237.734 72.771 207.279 1.00201.56 C +ATOM 1595 CZ TYR A 264 238.782 72.015 207.781 1.00222.82 C +ATOM 1596 OH TYR A 264 240.069 72.185 207.307 1.00220.52 O +ATOM 1597 N SER A 265 234.118 69.246 207.409 1.00141.69 N +ATOM 1598 CA SER A 265 233.785 67.877 207.044 1.00135.35 C +ATOM 1599 C SER A 265 234.560 66.896 207.915 1.00131.47 C +ATOM 1600 O SER A 265 235.792 66.945 207.976 1.00126.66 O +ATOM 1601 CB SER A 265 234.113 67.628 205.566 1.00138.65 C +ATOM 1602 OG SER A 265 233.591 66.386 205.130 1.00107.77 O +ATOM 1603 N GLY A 274 229.307 63.721 209.431 1.00106.41 N +ATOM 1604 CA GLY A 274 228.030 64.307 209.816 1.00119.68 C +ATOM 1605 C GLY A 274 227.987 65.812 209.615 1.00113.16 C +ATOM 1606 O GLY A 274 227.553 66.551 210.496 1.00 95.55 O +ATOM 1607 N MET A 275 228.446 66.261 208.449 1.00110.29 N +ATOM 1608 CA MET A 275 228.463 67.676 208.112 1.00 95.81 C +ATOM 1609 C MET A 275 227.067 68.162 207.746 1.00 94.19 C +ATOM 1610 O MET A 275 226.633 69.206 208.220 1.00 75.71 O +ATOM 1611 CB MET A 275 229.412 67.938 206.943 1.00 90.51 C +ATOM 1612 CG MET A 275 229.404 69.380 206.472 1.00 83.11 C +ATOM 1613 SD MET A 275 230.324 69.611 204.942 1.00 99.84 S +ATOM 1614 CE MET A 275 229.028 69.352 203.750 1.00 79.14 C +ATOM 1615 N LYS A 276 226.362 67.411 206.904 1.00 80.06 N +ATOM 1616 CA LYS A 276 225.018 67.816 206.511 1.00 81.42 C +ATOM 1617 C LYS A 276 224.233 68.145 207.770 1.00 67.18 C +ATOM 1618 O LYS A 276 223.297 68.931 207.738 1.00 87.18 O +ATOM 1619 CB LYS A 276 224.327 66.705 205.731 1.00 70.05 C +ATOM 1620 N THR A 277 224.641 67.552 208.886 1.00 90.20 N +ATOM 1621 CA THR A 277 223.982 67.776 210.167 1.00 86.79 C +ATOM 1622 C THR A 277 224.402 69.103 210.790 1.00 88.87 C +ATOM 1623 O THR A 277 223.570 69.987 211.004 1.00 90.25 O +ATOM 1624 CB THR A 277 224.316 66.657 211.170 1.00 94.65 C +ATOM 1625 OG1 THR A 277 223.953 65.387 210.614 1.00124.83 O +ATOM 1626 CG2 THR A 277 223.559 66.871 212.464 1.00101.58 C +ATOM 1627 N ARG A 278 225.696 69.224 211.083 1.00 83.15 N +ATOM 1628 CA ARG A 278 226.273 70.425 211.683 1.00 85.59 C +ATOM 1629 C ARG A 278 225.653 71.666 211.039 1.00 80.18 C +ATOM 1630 O ARG A 278 225.537 72.716 211.673 1.00 83.67 O +ATOM 1631 CB ARG A 278 227.792 70.413 211.479 1.00 76.56 C +ATOM 1632 CG ARG A 278 228.346 68.998 211.313 1.00 94.91 C +ATOM 1633 CD ARG A 278 229.398 68.600 212.352 1.00109.01 C +ATOM 1634 NE ARG A 278 230.699 69.199 212.072 1.00121.75 N +ATOM 1635 CZ ARG A 278 231.384 69.003 210.944 1.00131.02 C +ATOM 1636 NH1 ARG A 278 230.892 68.216 209.988 1.00101.83 N +ATOM 1637 NH2 ARG A 278 232.556 69.613 210.763 1.00135.84 N +ATOM 1638 N ILE A 279 225.250 71.516 209.778 1.00 83.10 N +ATOM 1639 CA ILE A 279 224.615 72.579 209.001 1.00 82.30 C +ATOM 1640 C ILE A 279 223.167 72.765 209.421 1.00 76.46 C +ATOM 1641 O ILE A 279 222.778 73.847 209.847 1.00 90.20 O +ATOM 1642 CB ILE A 279 224.609 72.257 207.498 1.00 84.92 C +ATOM 1643 CG1 ILE A 279 226.006 72.436 206.913 1.00 77.12 C +ATOM 1644 CG2 ILE A 279 223.611 73.144 206.789 1.00 57.01 C +ATOM 1645 CD1 ILE A 279 226.093 72.021 205.455 1.00 73.72 C +ATOM 1646 N ARG A 280 222.371 71.709 209.270 1.00 68.55 N +ATOM 1647 CA ARG A 280 220.965 71.757 209.640 1.00 66.51 C +ATOM 1648 C ARG A 280 220.886 72.218 211.090 1.00 62.26 C +ATOM 1649 O ARG A 280 220.039 73.038 211.456 1.00 69.34 O +ATOM 1650 CB ARG A 280 220.326 70.383 209.475 1.00 49.45 C +ATOM 1651 N MET A 281 221.787 71.693 211.912 1.00 62.31 N +ATOM 1652 CA MET A 281 221.846 72.058 213.323 1.00 71.30 C +ATOM 1653 C MET A 281 222.348 73.489 213.438 1.00 78.13 C +ATOM 1654 O MET A 281 222.151 74.152 214.450 1.00 79.48 O +ATOM 1655 CB MET A 281 222.794 71.122 214.075 1.00 73.13 C +ATOM 1656 CG MET A 281 222.253 69.721 214.315 1.00 98.38 C +ATOM 1657 SD MET A 281 220.850 69.703 215.434 1.00 82.33 S +ATOM 1658 CE MET A 281 221.659 70.065 216.963 1.00 94.31 C +ATOM 1659 N GLY A 282 223.000 73.953 212.379 1.00 80.51 N +ATOM 1660 CA GLY A 282 223.536 75.298 212.354 1.00 70.03 C +ATOM 1661 C GLY A 282 224.577 75.481 213.435 1.00 89.35 C +ATOM 1662 O GLY A 282 224.566 76.482 214.146 1.00 77.94 O +ATOM 1663 N GLN A 283 225.479 74.514 213.576 1.00 81.75 N +ATOM 1664 CA GLN A 283 226.509 74.624 214.602 1.00104.61 C +ATOM 1665 C GLN A 283 227.939 74.764 214.094 1.00 94.71 C +ATOM 1666 O GLN A 283 228.503 73.843 213.505 1.00 88.07 O +ATOM 1667 CB GLN A 283 226.421 73.450 215.583 1.00113.16 C +ATOM 1668 CG GLN A 283 226.575 72.075 214.982 1.00114.78 C +ATOM 1669 CD GLN A 283 226.574 71.002 216.057 1.00133.39 C +ATOM 1670 OE1 GLN A 283 227.356 71.068 217.005 1.00133.52 O +ATOM 1671 NE2 GLN A 283 225.691 70.012 215.922 1.00112.55 N +ATOM 1672 N TYR A 284 228.516 75.935 214.347 1.00 90.04 N +ATOM 1673 CA TYR A 284 229.875 76.242 213.934 1.00 64.09 C +ATOM 1674 C TYR A 284 230.474 77.137 215.008 1.00 65.66 C +ATOM 1675 O TYR A 284 229.806 77.468 215.981 1.00 88.03 O +ATOM 1676 CB TYR A 284 229.864 77.002 212.620 1.00 82.88 C +ATOM 1677 CG TYR A 284 229.040 78.259 212.690 1.00 50.94 C +ATOM 1678 CD1 TYR A 284 227.656 78.208 212.619 1.00 72.36 C +ATOM 1679 CD2 TYR A 284 229.645 79.496 212.856 1.00 79.70 C +ATOM 1680 CE1 TYR A 284 226.901 79.355 212.709 1.00 69.83 C +ATOM 1681 CE2 TYR A 284 228.896 80.646 212.951 1.00 57.96 C +ATOM 1682 CZ TYR A 284 227.527 80.569 212.877 1.00 57.53 C +ATOM 1683 OH TYR A 284 226.778 81.716 212.978 1.00 94.22 O +ATOM 1684 N GLU A 285 231.725 77.538 214.821 1.00 80.73 N +ATOM 1685 CA GLU A 285 232.399 78.388 215.785 1.00 81.22 C +ATOM 1686 C GLU A 285 233.397 79.305 215.101 1.00 90.67 C +ATOM 1687 O GLU A 285 233.713 79.119 213.926 1.00106.16 O +ATOM 1688 CB GLU A 285 233.113 77.527 216.807 1.00 87.46 C +ATOM 1689 N PHE A 286 233.875 80.303 215.839 1.00 86.81 N +ATOM 1690 CA PHE A 286 234.880 81.236 215.334 1.00 97.06 C +ATOM 1691 C PHE A 286 236.110 80.887 216.167 1.00100.16 C +ATOM 1692 O PHE A 286 236.527 81.662 217.028 1.00110.05 O +ATOM 1693 CB PHE A 286 234.476 82.697 215.602 1.00 78.01 C +ATOM 1694 CG PHE A 286 233.214 83.127 214.904 1.00 98.13 C +ATOM 1695 CD1 PHE A 286 232.172 83.698 215.615 1.00 92.96 C +ATOM 1696 CD2 PHE A 286 233.064 82.959 213.538 1.00102.41 C +ATOM 1697 CE1 PHE A 286 231.003 84.092 214.980 1.00 96.16 C +ATOM 1698 CE2 PHE A 286 231.892 83.353 212.897 1.00 82.36 C +ATOM 1699 CZ PHE A 286 230.865 83.918 213.620 1.00 71.90 C +ATOM 1700 N PRO A 287 236.707 79.715 215.909 1.00 96.70 N +ATOM 1701 CA PRO A 287 237.883 79.170 216.586 1.00103.18 C +ATOM 1702 C PRO A 287 239.086 80.081 216.730 1.00112.32 C +ATOM 1703 O PRO A 287 239.531 80.709 215.770 1.00114.13 O +ATOM 1704 CB PRO A 287 238.210 77.940 215.754 1.00105.25 C +ATOM 1705 CG PRO A 287 237.828 78.359 214.411 1.00 92.44 C +ATOM 1706 CD PRO A 287 236.474 78.978 214.659 1.00100.51 C +ATOM 1707 N ASN A 288 239.608 80.133 217.950 1.00119.25 N +ATOM 1708 CA ASN A 288 240.796 80.913 218.239 1.00131.90 C +ATOM 1709 C ASN A 288 241.953 79.964 217.949 1.00138.51 C +ATOM 1710 O ASN A 288 241.808 78.742 218.021 1.00143.95 O +ATOM 1711 CB ASN A 288 240.826 81.347 219.708 1.00133.89 C +ATOM 1712 CG ASN A 288 239.631 82.211 220.092 1.00158.92 C +ATOM 1713 OD1 ASN A 288 239.383 83.259 219.485 1.00172.68 O +ATOM 1714 ND2 ASN A 288 238.890 81.779 221.114 1.00139.14 N +ATOM 1715 N PRO A 289 243.119 80.510 217.602 1.00145.89 N +ATOM 1716 CA PRO A 289 243.399 81.940 217.477 1.00147.78 C +ATOM 1717 C PRO A 289 242.632 82.643 216.367 1.00140.12 C +ATOM 1718 O PRO A 289 242.027 83.678 216.608 1.00145.48 O +ATOM 1719 CB PRO A 289 244.904 81.967 217.231 1.00160.27 C +ATOM 1720 CG PRO A 289 245.107 80.724 216.415 1.00158.40 C +ATOM 1721 CD PRO A 289 244.286 79.712 217.185 1.00149.68 C +ATOM 1722 N GLU A 290 242.665 82.064 215.166 1.00135.89 N +ATOM 1723 CA GLU A 290 242.019 82.602 213.959 1.00122.33 C +ATOM 1724 C GLU A 290 241.100 83.810 214.141 1.00111.48 C +ATOM 1725 O GLU A 290 241.314 84.858 213.531 1.00 94.90 O +ATOM 1726 CB GLU A 290 241.230 81.502 213.236 1.00121.58 C +ATOM 1727 CG GLU A 290 241.934 80.155 213.147 1.00140.70 C +ATOM 1728 CD GLU A 290 241.650 79.287 214.360 1.00183.86 C +ATOM 1729 OE1 GLU A 290 241.898 79.762 215.484 1.00193.44 O +ATOM 1730 OE2 GLU A 290 241.178 78.137 214.193 1.00182.20 O +ATOM 1731 N TRP A 291 240.080 83.655 214.980 1.00102.18 N +ATOM 1732 CA TRP A 291 239.105 84.715 215.221 1.00106.95 C +ATOM 1733 C TRP A 291 239.335 85.573 216.457 1.00115.40 C +ATOM 1734 O TRP A 291 238.474 86.375 216.824 1.00120.18 O +ATOM 1735 CB TRP A 291 237.712 84.106 215.295 1.00110.40 C +ATOM 1736 CG TRP A 291 237.364 83.374 214.056 1.00104.11 C +ATOM 1737 CD1 TRP A 291 237.782 82.121 213.692 1.00 84.92 C +ATOM 1738 CD2 TRP A 291 236.556 83.857 212.982 1.00106.19 C +ATOM 1739 NE1 TRP A 291 237.282 81.799 212.456 1.00103.99 N +ATOM 1740 CE2 TRP A 291 236.529 82.848 211.996 1.00102.71 C +ATOM 1741 CE3 TRP A 291 235.857 85.048 212.753 1.00 70.56 C +ATOM 1742 CZ2 TRP A 291 235.827 82.992 210.807 1.00 86.03 C +ATOM 1743 CZ3 TRP A 291 235.165 85.189 211.578 1.00 73.88 C +ATOM 1744 CH2 TRP A 291 235.154 84.171 210.616 1.00114.55 C +ATOM 1745 N SER A 292 240.491 85.404 217.091 1.00129.00 N +ATOM 1746 CA SER A 292 240.851 86.158 218.287 1.00124.04 C +ATOM 1747 C SER A 292 240.910 87.670 218.051 1.00123.03 C +ATOM 1748 O SER A 292 240.661 88.455 218.966 1.00113.67 O +ATOM 1749 CB SER A 292 242.199 85.658 218.825 1.00125.10 C +ATOM 1750 OG SER A 292 243.196 85.669 217.817 1.00135.63 O +ATOM 1751 N GLU A 293 241.237 88.081 216.829 1.00123.41 N +ATOM 1752 CA GLU A 293 241.321 89.508 216.513 1.00127.66 C +ATOM 1753 C GLU A 293 240.108 90.026 215.724 1.00121.92 C +ATOM 1754 O GLU A 293 240.091 91.178 215.285 1.00115.91 O +ATOM 1755 CB GLU A 293 242.600 89.792 215.737 1.00138.28 C +ATOM 1756 N VAL A 294 239.094 89.181 215.555 1.00111.91 N +ATOM 1757 CA VAL A 294 237.898 89.568 214.818 1.00 95.15 C +ATOM 1758 C VAL A 294 236.811 90.136 215.721 1.00103.25 C +ATOM 1759 O VAL A 294 236.506 89.573 216.771 1.00 98.28 O +ATOM 1760 CB VAL A 294 237.322 88.378 214.066 1.00 92.93 C +ATOM 1761 CG1 VAL A 294 236.182 88.840 213.168 1.00 91.77 C +ATOM 1762 CG2 VAL A 294 238.418 87.705 213.269 1.00 94.47 C +ATOM 1763 N SER A 295 236.218 91.249 215.292 1.00 84.68 N +ATOM 1764 CA SER A 295 235.168 91.914 216.056 1.00 92.73 C +ATOM 1765 C SER A 295 233.919 91.072 216.244 1.00 88.74 C +ATOM 1766 O SER A 295 233.568 90.250 215.399 1.00 88.58 O +ATOM 1767 CB SER A 295 234.745 93.201 215.365 1.00102.34 C +ATOM 1768 OG SER A 295 233.464 93.030 214.784 1.00114.40 O +ATOM 1769 N GLU A 296 233.244 91.301 217.362 1.00 92.37 N +ATOM 1770 CA GLU A 296 232.008 90.600 217.658 1.00104.61 C +ATOM 1771 C GLU A 296 230.970 91.166 216.694 1.00112.98 C +ATOM 1772 O GLU A 296 229.956 90.523 216.406 1.00105.91 O +ATOM 1773 CB GLU A 296 231.593 90.857 219.108 1.00 99.76 C +ATOM 1774 CG GLU A 296 230.316 90.154 219.543 1.00121.36 C +ATOM 1775 CD GLU A 296 230.324 88.663 219.236 1.00136.85 C +ATOM 1776 OE1 GLU A 296 231.304 87.970 219.609 1.00131.43 O +ATOM 1777 OE2 GLU A 296 229.340 88.185 218.619 1.00136.46 O +ATOM 1778 N GLU A 297 231.237 92.379 216.203 1.00112.50 N +ATOM 1779 CA GLU A 297 230.357 93.045 215.247 1.00 99.85 C +ATOM 1780 C GLU A 297 230.420 92.241 213.960 1.00 92.47 C +ATOM 1781 O GLU A 297 229.396 91.854 213.400 1.00 93.48 O +ATOM 1782 CB GLU A 297 230.838 94.472 214.998 1.00 98.76 C +ATOM 1783 CG GLU A 297 230.226 95.146 213.787 1.00102.64 C +ATOM 1784 CD GLU A 297 230.489 96.642 213.773 1.00129.34 C +ATOM 1785 OE1 GLU A 297 229.777 97.379 214.497 1.00134.48 O +ATOM 1786 OE2 GLU A 297 231.415 97.081 213.049 1.00104.72 O +ATOM 1787 N VAL A 298 231.638 91.993 213.499 1.00 80.38 N +ATOM 1788 CA VAL A 298 231.843 91.200 212.305 1.00 87.49 C +ATOM 1789 C VAL A 298 231.282 89.809 212.579 1.00 80.88 C +ATOM 1790 O VAL A 298 230.690 89.176 211.702 1.00 71.80 O +ATOM 1791 CB VAL A 298 233.333 91.057 211.993 1.00 64.02 C +ATOM 1792 CG1 VAL A 298 233.542 89.953 210.980 1.00 84.65 C +ATOM 1793 CG2 VAL A 298 233.873 92.364 211.466 1.00112.61 C +ATOM 1794 N LYS A 299 231.479 89.331 213.801 1.00 79.83 N +ATOM 1795 CA LYS A 299 230.990 88.015 214.162 1.00 75.16 C +ATOM 1796 C LYS A 299 229.478 87.983 214.138 1.00 80.77 C +ATOM 1797 O LYS A 299 228.872 87.052 213.618 1.00 62.14 O +ATOM 1798 CB LYS A 299 231.517 87.616 215.539 1.00 74.57 C +ATOM 1799 CG LYS A 299 232.979 87.229 215.509 1.00 75.11 C +ATOM 1800 CD LYS A 299 233.432 86.563 216.790 1.00 92.06 C +ATOM 1801 CE LYS A 299 234.841 86.005 216.623 1.00125.81 C +ATOM 1802 NZ LYS A 299 235.368 85.378 217.867 1.00126.47 N +ATOM 1803 N MET A 300 228.872 89.021 214.691 1.00 78.00 N +ATOM 1804 CA MET A 300 227.428 89.116 214.735 1.00 80.36 C +ATOM 1805 C MET A 300 226.822 89.120 213.327 1.00 69.48 C +ATOM 1806 O MET A 300 225.732 88.587 213.118 1.00 75.70 O +ATOM 1807 CB MET A 300 227.033 90.378 215.502 1.00 87.97 C +ATOM 1808 CG MET A 300 226.011 90.131 216.601 1.00118.90 C +ATOM 1809 SD MET A 300 226.231 88.508 217.393 1.00128.71 S +ATOM 1810 CE MET A 300 224.516 87.872 217.267 1.00113.92 C +ATOM 1811 N LEU A 301 227.538 89.707 212.369 1.00 73.89 N +ATOM 1812 CA LEU A 301 227.079 89.782 210.972 1.00 63.96 C +ATOM 1813 C LEU A 301 227.048 88.406 210.301 1.00 70.75 C +ATOM 1814 O LEU A 301 226.145 88.086 209.532 1.00 60.38 O +ATOM 1815 CB LEU A 301 227.977 90.735 210.177 1.00 63.62 C +ATOM 1816 CG LEU A 301 227.617 91.019 208.720 1.00 52.63 C +ATOM 1817 CD1 LEU A 301 226.130 91.284 208.596 1.00 65.57 C +ATOM 1818 CD2 LEU A 301 228.414 92.212 208.225 1.00 73.24 C +ATOM 1819 N ILE A 302 228.046 87.588 210.592 1.00 67.57 N +ATOM 1820 CA ILE A 302 228.090 86.250 210.037 1.00 61.70 C +ATOM 1821 C ILE A 302 226.900 85.455 210.582 1.00 75.97 C +ATOM 1822 O ILE A 302 226.226 84.741 209.837 1.00 58.38 O +ATOM 1823 CB ILE A 302 229.422 85.565 210.402 1.00 70.53 C +ATOM 1824 CG1 ILE A 302 230.562 86.271 209.659 1.00 76.98 C +ATOM 1825 CG2 ILE A 302 229.369 84.086 210.071 1.00 65.01 C +ATOM 1826 CD1 ILE A 302 231.930 85.670 209.869 1.00 71.99 C +ATOM 1827 N ARG A 303 226.630 85.611 211.878 1.00 73.53 N +ATOM 1828 CA ARG A 303 225.526 84.913 212.532 1.00 61.85 C +ATOM 1829 C ARG A 303 224.162 85.201 211.898 1.00 74.05 C +ATOM 1830 O ARG A 303 223.370 84.286 211.695 1.00 79.80 O +ATOM 1831 CB ARG A 303 225.461 85.279 214.009 1.00 61.93 C +ATOM 1832 CG ARG A 303 226.666 84.917 214.852 1.00 78.75 C +ATOM 1833 CD ARG A 303 226.402 85.392 216.284 1.00 71.93 C +ATOM 1834 NE ARG A 303 227.608 85.725 217.038 1.00101.37 N +ATOM 1835 CZ ARG A 303 228.488 84.827 217.457 1.00 93.09 C +ATOM 1836 NH1 ARG A 303 228.286 83.540 217.191 1.00 90.11 N +ATOM 1837 NH2 ARG A 303 229.561 85.211 218.140 1.00 76.11 N +ATOM 1838 N ASN A 304 223.865 86.458 211.596 1.00 61.15 N +ATOM 1839 CA ASN A 304 222.575 86.775 210.982 1.00 77.76 C +ATOM 1840 C ASN A 304 222.517 86.277 209.535 1.00 74.95 C +ATOM 1841 O ASN A 304 221.449 86.208 208.929 1.00 67.98 O +ATOM 1842 CB ASN A 304 222.312 88.291 211.016 1.00 83.64 C +ATOM 1843 CG ASN A 304 222.000 88.806 212.421 1.00112.22 C +ATOM 1844 OD1 ASN A 304 222.399 89.919 212.802 1.00 84.27 O +ATOM 1845 ND2 ASN A 304 221.269 88.004 213.197 1.00 69.02 N +ATOM 1846 N LEU A 305 223.671 85.943 208.973 1.00 63.99 N +ATOM 1847 CA LEU A 305 223.711 85.458 207.605 1.00 54.76 C +ATOM 1848 C LEU A 305 223.590 83.952 207.666 1.00 73.10 C +ATOM 1849 O LEU A 305 222.929 83.313 206.841 1.00 58.22 O +ATOM 1850 CB LEU A 305 225.032 85.860 206.948 1.00 52.05 C +ATOM 1851 CG LEU A 305 225.127 87.316 206.481 1.00 58.75 C +ATOM 1852 CD1 LEU A 305 226.511 87.621 205.932 1.00 69.80 C +ATOM 1853 CD2 LEU A 305 224.075 87.560 205.421 1.00 47.92 C +ATOM 1854 N LEU A 306 224.240 83.401 208.681 1.00 57.81 N +ATOM 1855 CA LEU A 306 224.256 81.975 208.915 1.00 59.22 C +ATOM 1856 C LEU A 306 223.087 81.525 209.779 1.00 70.17 C +ATOM 1857 O LEU A 306 223.205 80.586 210.565 1.00 86.15 O +ATOM 1858 CB LEU A 306 225.581 81.582 209.559 1.00 54.83 C +ATOM 1859 CG LEU A 306 226.752 81.718 208.599 1.00 56.28 C +ATOM 1860 CD1 LEU A 306 228.035 81.262 209.237 1.00 46.67 C +ATOM 1861 CD2 LEU A 306 226.445 80.883 207.385 1.00 50.52 C +ATOM 1862 N LYS A 307 221.960 82.212 209.648 1.00 70.52 N +ATOM 1863 CA LYS A 307 220.772 81.832 210.394 1.00 64.84 C +ATOM 1864 C LYS A 307 220.251 80.593 209.676 1.00 65.05 C +ATOM 1865 O LYS A 307 220.153 80.570 208.449 1.00 73.22 O +ATOM 1866 CB LYS A 307 219.720 82.930 210.337 1.00 60.26 C +ATOM 1867 CG LYS A 307 220.137 84.247 210.952 1.00 76.35 C +ATOM 1868 CD LYS A 307 219.620 84.411 212.371 1.00 75.87 C +ATOM 1869 CE LYS A 307 220.487 83.696 213.389 1.00 92.33 C +ATOM 1870 NZ LYS A 307 219.963 83.886 214.773 1.00 94.73 N +ATOM 1871 N THR A 308 219.925 79.558 210.439 1.00 87.36 N +ATOM 1872 CA THR A 308 219.432 78.314 209.864 1.00 86.54 C +ATOM 1873 C THR A 308 218.057 78.489 209.219 1.00 80.07 C +ATOM 1874 O THR A 308 217.722 77.809 208.248 1.00 80.48 O +ATOM 1875 CB THR A 308 219.382 77.198 210.945 1.00 80.31 C +ATOM 1876 OG1 THR A 308 220.615 76.457 210.929 1.00 85.50 O +ATOM 1877 CG2 THR A 308 218.211 76.265 210.701 1.00108.80 C +ATOM 1878 N GLU A 309 217.264 79.407 209.755 1.00 86.56 N +ATOM 1879 CA GLU A 309 215.934 79.647 209.217 1.00 80.34 C +ATOM 1880 C GLU A 309 215.964 80.820 208.253 1.00 80.14 C +ATOM 1881 O GLU A 309 216.353 81.933 208.614 1.00 72.43 O +ATOM 1882 CB GLU A 309 214.937 79.945 210.345 1.00 79.03 C +ATOM 1883 CG GLU A 309 213.461 79.716 209.976 1.00107.32 C +ATOM 1884 CD GLU A 309 213.028 78.264 210.160 1.00128.86 C +ATOM 1885 OE1 GLU A 309 213.354 77.691 211.227 1.00100.32 O +ATOM 1886 OE2 GLU A 309 212.364 77.699 209.252 1.00 91.75 O +ATOM 1887 N PRO A 310 215.554 80.585 207.002 1.00 69.20 N +ATOM 1888 CA PRO A 310 215.536 81.644 205.988 1.00 75.56 C +ATOM 1889 C PRO A 310 214.955 82.953 206.540 1.00 73.13 C +ATOM 1890 O PRO A 310 215.697 83.886 206.848 1.00 70.20 O +ATOM 1891 CB PRO A 310 214.675 81.041 204.888 1.00 58.28 C +ATOM 1892 CG PRO A 310 215.049 79.598 204.957 1.00 61.31 C +ATOM 1893 CD PRO A 310 215.073 79.312 206.442 1.00 64.66 C +ATOM 1894 N THR A 311 213.633 83.004 206.683 1.00 57.71 N +ATOM 1895 CA THR A 311 212.952 84.188 207.194 1.00 63.44 C +ATOM 1896 C THR A 311 213.671 84.899 208.338 1.00 65.40 C +ATOM 1897 O THR A 311 213.424 86.078 208.585 1.00 70.08 O +ATOM 1898 CB THR A 311 211.552 83.839 207.666 1.00 52.68 C +ATOM 1899 OG1 THR A 311 211.650 82.936 208.763 1.00 76.00 O +ATOM 1900 CG2 THR A 311 210.781 83.179 206.574 1.00 44.79 C +ATOM 1901 N GLN A 312 214.551 84.198 209.043 1.00 61.23 N +ATOM 1902 CA GLN A 312 215.271 84.831 210.145 1.00 58.30 C +ATOM 1903 C GLN A 312 216.527 85.518 209.629 1.00 63.30 C +ATOM 1904 O GLN A 312 216.995 86.509 210.189 1.00 65.70 O +ATOM 1905 CB GLN A 312 215.675 83.798 211.202 1.00 78.77 C +ATOM 1906 CG GLN A 312 215.203 84.120 212.625 1.00101.21 C +ATOM 1907 CD GLN A 312 215.952 83.321 213.691 1.00105.49 C +ATOM 1908 OE1 GLN A 312 217.112 83.612 214.004 1.00110.73 O +ATOM 1909 NE2 GLN A 312 215.294 82.305 214.243 1.00 82.13 N +ATOM 1910 N ARG A 313 217.057 84.974 208.545 1.00 75.75 N +ATOM 1911 CA ARG A 313 218.278 85.463 207.924 1.00 58.86 C +ATOM 1912 C ARG A 313 218.184 86.894 207.391 1.00 51.81 C +ATOM 1913 O ARG A 313 217.125 87.341 206.952 1.00 85.05 O +ATOM 1914 CB ARG A 313 218.663 84.495 206.807 1.00 52.47 C +ATOM 1915 CG ARG A 313 220.131 84.401 206.516 1.00 74.86 C +ATOM 1916 CD ARG A 313 220.355 83.299 205.506 1.00 84.86 C +ATOM 1917 NE ARG A 313 219.851 82.018 205.984 1.00 53.52 N +ATOM 1918 CZ ARG A 313 219.467 81.032 205.186 1.00 62.95 C +ATOM 1919 NH1 ARG A 313 219.528 81.192 203.874 1.00 85.30 N +ATOM 1920 NH2 ARG A 313 219.039 79.888 205.697 1.00 49.87 N +ATOM 1921 N MET A 314 219.318 87.590 207.430 1.00 75.49 N +ATOM 1922 CA MET A 314 219.450 88.981 206.980 1.00 62.90 C +ATOM 1923 C MET A 314 219.115 89.160 205.496 1.00 68.20 C +ATOM 1924 O MET A 314 219.267 88.229 204.694 1.00 78.91 O +ATOM 1925 CB MET A 314 220.888 89.463 207.248 1.00 79.70 C +ATOM 1926 CG MET A 314 221.145 90.951 206.994 1.00 74.01 C +ATOM 1927 SD MET A 314 222.873 91.447 207.330 1.00 84.44 S +ATOM 1928 CE MET A 314 222.742 92.071 208.957 1.00104.75 C +ATOM 1929 N THR A 315 218.660 90.357 205.135 1.00 63.73 N +ATOM 1930 CA THR A 315 218.319 90.652 203.750 1.00 64.98 C +ATOM 1931 C THR A 315 219.470 91.347 203.030 1.00 68.09 C +ATOM 1932 O THR A 315 220.317 91.969 203.658 1.00 63.59 O +ATOM 1933 CB THR A 315 217.075 91.545 203.661 1.00 62.15 C +ATOM 1934 OG1 THR A 315 217.322 92.813 204.286 1.00 58.05 O +ATOM 1935 CG2 THR A 315 215.929 90.868 204.338 1.00 61.97 C +ATOM 1936 N ILE A 316 219.498 91.236 201.707 1.00 65.76 N +ATOM 1937 CA ILE A 316 220.566 91.854 200.935 1.00 66.14 C +ATOM 1938 C ILE A 316 220.564 93.351 201.167 1.00 71.26 C +ATOM 1939 O ILE A 316 221.618 93.981 201.192 1.00 67.36 O +ATOM 1940 CB ILE A 316 220.417 91.583 199.426 1.00 60.35 C +ATOM 1941 CG1 ILE A 316 221.714 91.937 198.710 1.00 52.24 C +ATOM 1942 CG2 ILE A 316 219.314 92.435 198.854 1.00 56.27 C +ATOM 1943 CD1 ILE A 316 222.942 91.410 199.405 1.00 55.83 C +ATOM 1944 N THR A 317 219.381 93.926 201.346 1.00 60.50 N +ATOM 1945 CA THR A 317 219.301 95.356 201.591 1.00 58.94 C +ATOM 1946 C THR A 317 219.858 95.658 202.964 1.00 61.73 C +ATOM 1947 O THR A 317 220.533 96.659 203.161 1.00 69.91 O +ATOM 1948 CB THR A 317 217.865 95.875 201.554 1.00 68.58 C +ATOM 1949 OG1 THR A 317 217.301 95.636 200.259 1.00 67.56 O +ATOM 1950 CG2 THR A 317 217.844 97.364 201.860 1.00 50.05 C +ATOM 1951 N GLU A 318 219.577 94.794 203.923 1.00 54.23 N +ATOM 1952 CA GLU A 318 220.082 95.027 205.266 1.00 69.88 C +ATOM 1953 C GLU A 318 221.586 94.796 205.348 1.00 72.99 C +ATOM 1954 O GLU A 318 222.262 95.329 206.221 1.00 64.78 O +ATOM 1955 CB GLU A 318 219.336 94.138 206.269 1.00 82.03 C +ATOM 1956 CG GLU A 318 217.903 94.596 206.496 1.00 64.99 C +ATOM 1957 CD GLU A 318 217.152 93.742 207.486 1.00 85.92 C +ATOM 1958 OE1 GLU A 318 216.415 94.327 208.315 1.00 91.71 O +ATOM 1959 OE2 GLU A 318 217.288 92.497 207.424 1.00 88.17 O +ATOM 1960 N PHE A 319 222.103 94.005 204.421 1.00 75.36 N +ATOM 1961 CA PHE A 319 223.519 93.700 204.380 1.00 69.31 C +ATOM 1962 C PHE A 319 224.279 94.883 203.800 1.00 79.85 C +ATOM 1963 O PHE A 319 225.281 95.324 204.359 1.00 86.43 O +ATOM 1964 CB PHE A 319 223.744 92.455 203.523 1.00 78.91 C +ATOM 1965 CG PHE A 319 225.193 92.144 203.250 1.00 82.05 C +ATOM 1966 CD1 PHE A 319 225.978 91.538 204.210 1.00 64.69 C +ATOM 1967 CD2 PHE A 319 225.757 92.432 202.011 1.00 68.65 C +ATOM 1968 CE1 PHE A 319 227.287 91.219 203.940 1.00 55.30 C +ATOM 1969 CE2 PHE A 319 227.060 92.114 201.744 1.00 75.06 C +ATOM 1970 CZ PHE A 319 227.826 91.506 202.711 1.00 57.56 C +ATOM 1971 N MET A 320 223.805 95.404 202.679 1.00 64.36 N +ATOM 1972 CA MET A 320 224.489 96.527 202.066 1.00 69.16 C +ATOM 1973 C MET A 320 224.525 97.753 202.973 1.00 78.25 C +ATOM 1974 O MET A 320 225.304 98.673 202.745 1.00 86.13 O +ATOM 1975 CB MET A 320 223.848 96.889 200.725 1.00 73.27 C +ATOM 1976 CG MET A 320 224.120 95.877 199.635 1.00 72.98 C +ATOM 1977 SD MET A 320 225.832 95.315 199.691 1.00 87.32 S +ATOM 1978 CE MET A 320 226.586 96.413 198.528 1.00 70.20 C +ATOM 1979 N ASN A 321 223.695 97.772 204.006 1.00 77.28 N +ATOM 1980 CA ASN A 321 223.691 98.907 204.912 1.00 79.74 C +ATOM 1981 C ASN A 321 224.489 98.692 206.174 1.00 76.50 C +ATOM 1982 O ASN A 321 224.868 99.651 206.836 1.00 95.86 O +ATOM 1983 CB ASN A 321 222.271 99.296 205.267 1.00 79.55 C +ATOM 1984 CG ASN A 321 221.783 100.428 204.427 1.00104.33 C +ATOM 1985 OD1 ASN A 321 222.191 101.578 204.622 1.00115.09 O +ATOM 1986 ND2 ASN A 321 220.926 100.121 203.456 1.00119.81 N +ATOM 1987 N HIS A 322 224.744 97.439 206.521 1.00 82.50 N +ATOM 1988 CA HIS A 322 225.527 97.179 207.707 1.00 80.78 C +ATOM 1989 C HIS A 322 226.837 97.948 207.555 1.00 84.39 C +ATOM 1990 O HIS A 322 227.483 97.895 206.506 1.00 83.28 O +ATOM 1991 CB HIS A 322 225.812 95.691 207.851 1.00 75.27 C +ATOM 1992 CG HIS A 322 226.690 95.370 209.013 1.00 76.67 C +ATOM 1993 ND1 HIS A 322 227.927 95.950 209.189 1.00 84.96 N +ATOM 1994 CD2 HIS A 322 226.504 94.548 210.070 1.00 67.42 C +ATOM 1995 CE1 HIS A 322 228.464 95.502 210.308 1.00 85.58 C +ATOM 1996 NE2 HIS A 322 227.622 94.649 210.862 1.00 86.63 N +ATOM 1997 N PRO A 323 227.234 98.686 208.603 1.00 91.61 N +ATOM 1998 CA PRO A 323 228.447 99.501 208.680 1.00 84.82 C +ATOM 1999 C PRO A 323 229.697 98.867 208.087 1.00 79.23 C +ATOM 2000 O PRO A 323 230.318 99.436 207.193 1.00 85.59 O +ATOM 2001 CB PRO A 323 228.567 99.772 210.170 1.00 74.59 C +ATOM 2002 CG PRO A 323 227.135 99.952 210.553 1.00 86.91 C +ATOM 2003 CD PRO A 323 226.484 98.767 209.868 1.00 92.14 C +ATOM 2004 N TRP A 324 230.066 97.692 208.578 1.00 81.53 N +ATOM 2005 CA TRP A 324 231.247 97.002 208.070 1.00 80.47 C +ATOM 2006 C TRP A 324 231.260 97.039 206.541 1.00 76.75 C +ATOM 2007 O TRP A 324 232.288 97.293 205.917 1.00 63.50 O +ATOM 2008 CB TRP A 324 231.225 95.553 208.537 1.00 79.62 C +ATOM 2009 CG TRP A 324 232.549 94.881 208.546 1.00 68.42 C +ATOM 2010 CD1 TRP A 324 233.579 95.118 209.408 1.00 97.23 C +ATOM 2011 CD2 TRP A 324 232.973 93.806 207.704 1.00 91.77 C +ATOM 2012 NE1 TRP A 324 234.614 94.254 209.162 1.00 96.32 N +ATOM 2013 CE2 TRP A 324 234.268 93.437 208.120 1.00 90.15 C +ATOM 2014 CE3 TRP A 324 232.382 93.118 206.639 1.00 85.73 C +ATOM 2015 CZ2 TRP A 324 234.979 92.411 207.515 1.00 55.96 C +ATOM 2016 CZ3 TRP A 324 233.091 92.099 206.038 1.00 78.54 C +ATOM 2017 CH2 TRP A 324 234.375 91.755 206.475 1.00 83.38 C +ATOM 2018 N ILE A 325 230.099 96.785 205.952 1.00 61.98 N +ATOM 2019 CA ILE A 325 229.956 96.764 204.513 1.00 63.34 C +ATOM 2020 C ILE A 325 229.832 98.156 203.920 1.00 81.46 C +ATOM 2021 O ILE A 325 230.518 98.483 202.956 1.00101.97 O +ATOM 2022 CB ILE A 325 228.723 95.941 204.092 1.00 64.13 C +ATOM 2023 CG1 ILE A 325 229.156 94.621 203.470 1.00 57.81 C +ATOM 2024 CG2 ILE A 325 227.909 96.703 203.076 1.00 79.69 C +ATOM 2025 CD1 ILE A 325 230.005 93.796 204.357 1.00 99.33 C +ATOM 2026 N MET A 326 228.971 98.986 204.497 1.00 86.84 N +ATOM 2027 CA MET A 326 228.766 100.327 203.962 1.00 97.80 C +ATOM 2028 C MET A 326 229.941 101.291 204.108 1.00 88.82 C +ATOM 2029 O MET A 326 230.023 102.271 203.375 1.00 96.42 O +ATOM 2030 CB MET A 326 227.509 100.951 204.573 1.00 99.22 C +ATOM 2031 CG MET A 326 227.134 102.287 203.957 1.00109.19 C +ATOM 2032 SD MET A 326 225.425 102.771 204.309 1.00131.16 S +ATOM 2033 CE MET A 326 224.679 102.571 202.683 1.00123.49 C +ATOM 2034 N GLN A 327 230.847 101.016 205.042 1.00 99.42 N +ATOM 2035 CA GLN A 327 232.005 101.880 205.253 1.00100.47 C +ATOM 2036 C GLN A 327 233.330 101.120 205.290 1.00109.31 C +ATOM 2037 O GLN A 327 234.060 101.184 206.279 1.00116.79 O +ATOM 2038 CB GLN A 327 231.856 102.668 206.557 1.00 90.31 C +ATOM 2039 CG GLN A 327 230.780 103.743 206.538 1.00124.03 C +ATOM 2040 CD GLN A 327 230.929 104.713 205.370 1.00165.27 C +ATOM 2041 OE1 GLN A 327 232.047 105.051 204.958 1.00160.87 O +ATOM 2042 NE2 GLN A 327 229.795 105.178 204.841 1.00148.79 N +ATOM 2043 N SER A 328 233.644 100.406 204.215 1.00109.39 N +ATOM 2044 CA SER A 328 234.888 99.643 204.157 1.00117.56 C +ATOM 2045 C SER A 328 236.084 100.539 204.457 1.00126.63 C +ATOM 2046 O SER A 328 236.892 100.239 205.332 1.00122.39 O +ATOM 2047 CB SER A 328 235.055 99.008 202.777 1.00106.48 C +ATOM 2048 OG SER A 328 233.976 98.139 202.490 1.00101.32 O +ATOM 2049 N THR A 329 236.189 101.642 203.725 1.00147.22 N +ATOM 2050 CA THR A 329 237.283 102.582 203.919 1.00153.16 C +ATOM 2051 C THR A 329 237.668 102.713 205.393 1.00151.36 C +ATOM 2052 O THR A 329 238.849 102.680 205.736 1.00165.48 O +ATOM 2053 CB THR A 329 236.918 103.986 203.365 1.00159.02 C +ATOM 2054 OG1 THR A 329 237.929 104.930 203.748 1.00164.35 O +ATOM 2055 CG2 THR A 329 235.553 104.443 203.893 1.00171.23 C +ATOM 2056 N LYS A 330 236.670 102.840 206.262 1.00138.67 N +ATOM 2057 CA LYS A 330 236.916 102.994 207.691 1.00128.38 C +ATOM 2058 C LYS A 330 236.937 101.670 208.457 1.00134.38 C +ATOM 2059 O LYS A 330 236.425 101.586 209.580 1.00138.61 O +ATOM 2060 CB LYS A 330 235.867 103.931 208.298 1.00134.91 C +ATOM 2061 N VAL A 331 237.526 100.637 207.860 1.00122.49 N +ATOM 2062 CA VAL A 331 237.608 99.340 208.531 1.00120.28 C +ATOM 2063 C VAL A 331 239.066 98.890 208.689 1.00111.19 C +ATOM 2064 O VAL A 331 239.850 98.899 207.739 1.00 85.41 O +ATOM 2065 CB VAL A 331 236.770 98.239 207.785 1.00120.15 C +ATOM 2066 CG1 VAL A 331 237.342 97.971 206.422 1.00125.69 C +ATOM 2067 CG2 VAL A 331 236.740 96.946 208.595 1.00124.20 C +ATOM 2068 N PRO A 332 239.433 98.496 209.916 1.00102.76 N +ATOM 2069 CA PRO A 332 240.737 98.021 210.385 1.00105.52 C +ATOM 2070 C PRO A 332 241.528 97.215 209.363 1.00112.97 C +ATOM 2071 O PRO A 332 241.016 96.262 208.779 1.00111.93 O +ATOM 2072 CB PRO A 332 240.369 97.193 211.609 1.00105.70 C +ATOM 2073 CG PRO A 332 239.247 97.970 212.184 1.00122.25 C +ATOM 2074 CD PRO A 332 238.418 98.332 210.971 1.00100.61 C +ATOM 2075 N GLN A 333 242.782 97.604 209.154 1.00109.39 N +ATOM 2076 CA GLN A 333 243.645 96.908 208.206 1.00106.56 C +ATOM 2077 C GLN A 333 244.265 95.714 208.913 1.00 99.10 C +ATOM 2078 O GLN A 333 245.347 95.251 208.554 1.00 97.72 O +ATOM 2079 CB GLN A 333 244.744 97.842 207.696 1.00117.29 C +ATOM 2080 CG GLN A 333 244.224 99.042 206.922 1.00121.73 C +ATOM 2081 CD GLN A 333 244.771 99.095 205.510 1.00144.41 C +ATOM 2082 OE1 GLN A 333 244.442 99.996 204.735 1.00153.63 O +ATOM 2083 NE2 GLN A 333 245.613 98.124 205.165 1.00138.94 N +ATOM 2084 N THR A 334 243.565 95.229 209.931 1.00 88.60 N +ATOM 2085 CA THR A 334 244.023 94.081 210.693 1.00112.85 C +ATOM 2086 C THR A 334 244.310 92.878 209.797 1.00123.95 C +ATOM 2087 O THR A 334 243.438 92.392 209.086 1.00128.29 O +ATOM 2088 CB THR A 334 242.989 93.668 211.738 1.00105.19 C +ATOM 2089 OG1 THR A 334 243.011 92.243 211.887 1.00102.93 O +ATOM 2090 CG2 THR A 334 241.607 94.120 211.315 1.00106.97 C +ATOM 2091 N PRO A 335 245.549 92.372 209.832 1.00124.58 N +ATOM 2092 CA PRO A 335 245.911 91.224 209.005 1.00124.62 C +ATOM 2093 C PRO A 335 245.058 89.999 209.317 1.00119.67 C +ATOM 2094 O PRO A 335 244.513 89.878 210.416 1.00108.06 O +ATOM 2095 CB PRO A 335 247.383 91.002 209.358 1.00134.66 C +ATOM 2096 CG PRO A 335 247.857 92.390 209.673 1.00120.03 C +ATOM 2097 CD PRO A 335 246.730 92.881 210.547 1.00120.76 C +ATOM 2098 N LEU A 336 244.926 89.110 208.333 1.00110.96 N +ATOM 2099 CA LEU A 336 244.175 87.867 208.499 1.00 98.45 C +ATOM 2100 C LEU A 336 245.087 86.726 208.066 1.00 87.77 C +ATOM 2101 O LEU A 336 245.851 86.877 207.117 1.00 92.64 O +ATOM 2102 CB LEU A 336 242.909 87.852 207.632 1.00 95.92 C +ATOM 2103 CG LEU A 336 241.694 88.725 207.963 1.00 81.15 C +ATOM 2104 CD1 LEU A 336 241.641 88.972 209.461 1.00 94.01 C +ATOM 2105 CD2 LEU A 336 241.773 90.034 207.215 1.00 82.79 C +ATOM 2106 N HIS A 337 244.999 85.595 208.762 1.00 86.05 N +ATOM 2107 CA HIS A 337 245.813 84.410 208.469 1.00100.05 C +ATOM 2108 C HIS A 337 245.401 83.709 207.170 1.00103.25 C +ATOM 2109 O HIS A 337 246.075 82.782 206.712 1.00110.52 O +ATOM 2110 CB HIS A 337 245.687 83.390 209.610 1.00118.04 C +ATOM 2111 CG HIS A 337 246.205 83.874 210.930 1.00151.49 C +ATOM 2112 ND1 HIS A 337 246.241 85.210 211.271 1.00169.76 N +ATOM 2113 CD2 HIS A 337 246.675 83.198 212.010 1.00160.51 C +ATOM 2114 CE1 HIS A 337 246.713 85.337 212.502 1.00129.99 C +ATOM 2115 NE2 HIS A 337 246.984 84.132 212.971 1.00150.26 N +ATOM 2116 N THR A 338 244.294 84.167 206.589 1.00111.23 N +ATOM 2117 CA THR A 338 243.713 83.590 205.375 1.00105.16 C +ATOM 2118 C THR A 338 244.649 82.822 204.440 1.00106.58 C +ATOM 2119 O THR A 338 244.708 81.589 204.504 1.00102.89 O +ATOM 2120 CB THR A 338 242.957 84.658 204.557 1.00100.36 C +ATOM 2121 OG1 THR A 338 242.218 85.494 205.451 1.00103.82 O +ATOM 2122 CG2 THR A 338 241.961 83.993 203.605 1.00 97.07 C +ATOM 2123 N SER A 339 245.370 83.532 203.573 1.00100.67 N +ATOM 2124 CA SER A 339 246.276 82.877 202.622 1.00106.75 C +ATOM 2125 C SER A 339 246.957 81.641 203.202 1.00117.17 C +ATOM 2126 O SER A 339 246.862 80.555 202.634 1.00126.71 O +ATOM 2127 CB SER A 339 247.341 83.855 202.137 1.00100.87 C +ATOM 2128 OG SER A 339 246.771 84.880 201.348 1.00116.32 O +ATOM 2129 N ARG A 340 247.643 81.811 204.329 1.00108.64 N +ATOM 2130 CA ARG A 340 248.325 80.697 204.971 1.00101.87 C +ATOM 2131 C ARG A 340 247.391 79.508 205.121 1.00 94.03 C +ATOM 2132 O ARG A 340 247.554 78.480 204.454 1.00 80.82 O +ATOM 2133 CB ARG A 340 248.848 81.112 206.347 1.00117.73 C +ATOM 2134 CG ARG A 340 250.041 82.055 206.292 1.00162.36 C +ATOM 2135 CD ARG A 340 249.770 83.353 207.068 1.00208.75 C +ATOM 2136 NE ARG A 340 249.607 83.107 208.504 1.00216.90 N +ATOM 2137 CZ ARG A 340 249.378 84.053 209.416 1.00203.42 C +ATOM 2138 NH1 ARG A 340 249.279 85.330 209.055 1.00186.56 N +ATOM 2139 NH2 ARG A 340 249.255 83.719 210.696 1.00191.24 N +ATOM 2140 N VAL A 341 246.412 79.653 206.004 1.00 84.97 N +ATOM 2141 CA VAL A 341 245.455 78.585 206.239 1.00 88.40 C +ATOM 2142 C VAL A 341 244.913 78.128 204.891 1.00 93.56 C +ATOM 2143 O VAL A 341 244.917 76.939 204.566 1.00 86.14 O +ATOM 2144 CB VAL A 341 244.269 79.077 207.078 1.00 86.60 C +ATOM 2145 CG1 VAL A 341 243.692 77.928 207.866 1.00 93.99 C +ATOM 2146 CG2 VAL A 341 244.700 80.214 207.975 1.00 87.95 C +ATOM 2147 N LEU A 342 244.463 79.101 204.107 1.00 98.12 N +ATOM 2148 CA LEU A 342 243.887 78.847 202.798 1.00 97.33 C +ATOM 2149 C LEU A 342 244.771 77.929 201.976 1.00103.21 C +ATOM 2150 O LEU A 342 244.280 77.134 201.181 1.00108.03 O +ATOM 2151 CB LEU A 342 243.666 80.171 202.065 1.00101.09 C +ATOM 2152 CG LEU A 342 242.513 80.212 201.065 1.00102.01 C +ATOM 2153 CD1 LEU A 342 241.211 79.865 201.761 1.00 89.86 C +ATOM 2154 CD2 LEU A 342 242.428 81.595 200.463 1.00 76.62 C +ATOM 2155 N LYS A 343 246.078 78.031 202.177 1.00118.91 N +ATOM 2156 CA LYS A 343 246.980 77.154 201.447 1.00128.99 C +ATOM 2157 C LYS A 343 247.211 75.800 202.144 1.00129.81 C +ATOM 2158 O LYS A 343 247.730 74.859 201.559 1.00124.36 O +ATOM 2159 CB LYS A 343 248.308 77.894 201.320 1.00131.78 C +ATOM 2160 CG LYS A 343 249.233 77.265 200.274 1.00133.47 C +ATOM 2161 CD LYS A 343 250.528 78.061 200.106 1.00161.36 C +ATOM 2162 CE LYS A 343 251.591 77.288 199.318 1.00189.16 C +ATOM 2163 NZ LYS A 343 252.882 77.968 199.425 1.00166.57 N +ATOM 2164 N GLU A 344 246.842 75.714 203.442 1.00128.07 N +ATOM 2165 CA GLU A 344 247.254 74.549 204.240 1.00135.55 C +ATOM 2166 C GLU A 344 246.429 73.272 203.985 1.00137.12 C +ATOM 2167 O GLU A 344 246.915 72.156 204.102 1.00147.11 O +ATOM 2168 CB GLU A 344 247.196 74.935 205.720 1.00144.51 C +ATOM 2169 CG GLU A 344 248.480 74.589 206.485 1.00182.52 C +ATOM 2170 CD GLU A 344 249.414 75.782 206.484 1.00205.75 C +ATOM 2171 OE1 GLU A 344 249.252 76.650 207.336 1.00195.59 O +ATOM 2172 OE2 GLU A 344 250.270 75.861 205.607 1.00217.38 O +ATOM 2173 N ASP A 345 245.127 73.456 203.702 1.00134.97 N +ATOM 2174 CA ASP A 345 244.310 72.298 203.321 1.00153.39 C +ATOM 2175 C ASP A 345 243.429 72.611 202.107 1.00164.28 C +ATOM 2176 O ASP A 345 243.779 73.413 201.250 1.00177.09 O +ATOM 2177 CB ASP A 345 243.435 71.892 204.514 1.00147.36 C +ATOM 2178 CG ASP A 345 242.851 70.495 204.291 1.00174.56 C +ATOM 2179 OD1 ASP A 345 243.455 69.731 203.533 1.00191.84 O +ATOM 2180 OD2 ASP A 345 241.820 70.182 204.883 1.00169.86 O +TER 2181 ASP A 345 +END diff --git a/bench/main_benchmark/structures/SFB_FS_NTRC2_1NY3A_3DZEA/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_NTRC2_1NY3A_3DZEA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..680e659b7dc9ea2ff20cab92864debaf8ae6de0b --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_NTRC2_1NY3A_3DZEA/state_b.pdb @@ -0,0 +1,1510 @@ +ATOM 1 N SER A 0 -5.773 17.831 12.348 1.00 24.67 N +ATOM 2 CA SER A 0 -5.189 16.545 11.993 1.00 16.18 C +ATOM 3 C SER A 0 -4.358 16.692 10.728 1.00 13.87 C +ATOM 4 O SER A 0 -4.586 17.590 9.892 1.00 14.68 O +ATOM 5 CB SER A 0 -6.197 15.526 11.807 1.00 21.08 C +ATOM 6 OG SER A 0 -7.008 15.652 10.640 1.00 20.17 O +ATOM 7 N PHE A 1 -3.526 15.717 10.545 1.00 13.06 N +ATOM 8 CA PHE A 1 -2.723 15.658 9.318 1.00 12.33 C +ATOM 9 C PHE A 1 -3.634 15.546 8.075 1.00 12.61 C +ATOM 10 O PHE A 1 -3.378 16.215 7.074 1.00 12.03 O +ATOM 11 CB PHE A 1 -1.757 14.444 9.382 1.00 12.62 C +ATOM 12 CG PHE A 1 -1.024 14.234 8.127 1.00 12.19 C +ATOM 13 CD1 PHE A 1 0.096 14.950 7.804 1.00 15.02 C +ATOM 14 CD2 PHE A 1 -1.443 13.317 7.206 1.00 14.48 C +ATOM 15 CE1 PHE A 1 0.702 14.726 6.595 1.00 16.23 C +ATOM 16 CE2 PHE A 1 -0.797 13.073 6.016 1.00 15.63 C +ATOM 17 CZ PHE A 1 0.306 13.796 5.712 1.00 14.90 C +ATOM 18 N TRP A 2 -4.617 14.665 8.130 1.00 13.40 N +ATOM 19 CA TRP A 2 -5.449 14.410 6.945 1.00 14.25 C +ATOM 20 C TRP A 2 -6.247 15.678 6.574 1.00 13.58 C +ATOM 21 O TRP A 2 -6.442 15.962 5.402 1.00 13.52 O +ATOM 22 CB TRP A 2 -6.343 13.260 7.190 1.00 17.49 C +ATOM 23 CG TRP A 2 -5.518 11.954 7.173 1.00 28.08 C +ATOM 24 CD1 TRP A 2 -5.216 11.136 8.254 1.00 37.56 C +ATOM 25 CD2 TRP A 2 -4.718 11.409 6.079 1.00 32.38 C +ATOM 26 NE1 TRP A 2 -4.424 10.048 7.843 1.00 40.78 N +ATOM 27 CE2 TRP A 2 -4.122 10.198 6.517 1.00 32.31 C +ATOM 28 CE3 TRP A 2 -4.532 11.790 4.780 1.00 32.48 C +ATOM 29 CZ2 TRP A 2 -3.275 9.459 5.721 1.00 40.29 C +ATOM 30 CZ3 TRP A 2 -3.730 10.971 3.919 1.00 38.38 C +ATOM 31 CH2 TRP A 2 -3.091 9.867 4.422 1.00 40.78 C +ATOM 32 N AGLU A 3 -6.690 16.436 7.571 0.50 12.95 N +ATOM 33 N BGLU A 3 -6.724 16.403 7.576 0.50 12.97 N +ATOM 34 CA AGLU A 3 -7.366 17.687 7.294 0.50 13.08 C +ATOM 35 CA BGLU A 3 -7.368 17.668 7.334 0.50 13.74 C +ATOM 36 C AGLU A 3 -6.467 18.727 6.660 0.50 13.02 C +ATOM 37 C BGLU A 3 -6.465 18.688 6.654 0.50 13.36 C +ATOM 38 O AGLU A 3 -6.829 19.429 5.725 0.50 11.51 O +ATOM 39 O BGLU A 3 -6.833 19.353 5.697 0.50 11.63 O +ATOM 40 CB AGLU A 3 -8.051 18.258 8.538 0.50 13.38 C +ATOM 41 CB BGLU A 3 -7.928 18.265 8.639 0.50 15.31 C +ATOM 42 CG AGLU A 3 -9.173 17.354 8.995 0.50 14.90 C +ATOM 43 CG BGLU A 3 -8.794 19.420 8.474 0.50 17.36 C +ATOM 44 CD AGLU A 3 -9.701 17.813 10.331 0.50 15.99 C +ATOM 45 CD BGLU A 3 -9.444 19.870 9.826 0.50 22.69 C +ATOM 46 OE1AGLU A 3 -10.874 18.149 10.380 0.50 19.29 O +ATOM 47 OE1BGLU A 3 -10.006 19.029 10.648 0.50 23.35 O +ATOM 48 OE2AGLU A 3 -8.921 17.806 11.345 0.50 19.73 O +ATOM 49 OE2BGLU A 3 -9.398 21.149 10.054 0.50 23.01 O +ATOM 50 N TRP A 4 -5.233 18.798 7.165 1.00 11.58 N +ATOM 51 CA TRP A 4 -4.253 19.696 6.574 1.00 10.67 C +ATOM 52 C TRP A 4 -3.992 19.281 5.126 1.00 9.82 C +ATOM 53 O TRP A 4 -3.924 20.121 4.231 1.00 9.97 O +ATOM 54 CB TRP A 4 -2.943 19.684 7.417 1.00 10.39 C +ATOM 55 CG TRP A 4 -1.848 20.326 6.621 1.00 10.33 C +ATOM 56 CD1 TRP A 4 -1.667 21.657 6.461 1.00 11.61 C +ATOM 57 CD2 TRP A 4 -0.872 19.677 5.808 1.00 10.33 C +ATOM 58 NE1 TRP A 4 -0.623 21.886 5.526 1.00 11.60 N +ATOM 59 CE2 TRP A 4 -0.154 20.685 5.156 1.00 9.76 C +ATOM 60 CE3 TRP A 4 -0.577 18.346 5.588 1.00 10.59 C +ATOM 61 CZ2 TRP A 4 0.873 20.403 4.213 1.00 10.36 C +ATOM 62 CZ3 TRP A 4 0.455 18.025 4.715 1.00 11.88 C +ATOM 63 CH2 TRP A 4 1.139 19.063 4.056 1.00 11.07 C +ATOM 64 N LEU A 5 -3.837 18.005 4.905 1.00 9.56 N +ATOM 65 CA LEU A 5 -3.517 17.500 3.596 1.00 10.45 C +ATOM 66 C LEU A 5 -4.640 17.879 2.586 1.00 10.08 C +ATOM 67 O LEU A 5 -4.385 18.340 1.469 1.00 10.09 O +ATOM 68 CB LEU A 5 -3.273 15.996 3.630 1.00 11.49 C +ATOM 69 CG LEU A 5 -2.710 15.411 2.357 1.00 12.89 C +ATOM 70 CD1 LEU A 5 -1.333 15.891 2.013 1.00 13.30 C +ATOM 71 CD2 LEU A 5 -2.739 13.874 2.438 1.00 17.15 C +ATOM 72 N ASN A 6 -5.860 17.633 2.962 1.00 10.19 N +ATOM 73 CA AASN A 6 -6.991 17.999 2.082 0.50 10.67 C +ATOM 74 CA BASN A 6 -6.989 17.998 2.085 0.50 10.70 C +ATOM 75 C ASN A 6 -7.027 19.478 1.825 1.00 9.90 C +ATOM 76 O ASN A 6 -7.299 19.927 0.703 1.00 10.79 O +ATOM 77 CB AASN A 6 -8.310 17.468 2.616 0.50 12.58 C +ATOM 78 CB BASN A 6 -8.286 17.437 2.663 0.50 12.50 C +ATOM 79 CG AASN A 6 -9.273 17.053 1.466 0.50 14.80 C +ATOM 80 CG BASN A 6 -8.399 15.905 2.457 0.50 14.34 C +ATOM 81 OD1AASN A 6 -10.239 17.712 1.232 0.50 17.02 O +ATOM 82 OD1BASN A 6 -8.381 15.415 1.438 0.50 18.21 O +ATOM 83 ND2AASN A 6 -9.039 15.935 0.891 0.50 16.86 N +ATOM 84 ND2BASN A 6 -8.278 15.178 3.488 0.50 25.32 N +ATOM 85 N ALA A 7 -6.765 20.268 2.859 1.00 10.09 N +ATOM 86 CA ALA A 7 -6.751 21.694 2.709 1.00 10.09 C +ATOM 87 C ALA A 7 -5.676 22.155 1.728 1.00 10.13 C +ATOM 88 O ALA A 7 -5.935 22.986 0.847 1.00 10.26 O +ATOM 89 CB ALA A 7 -6.584 22.403 4.080 1.00 12.55 C +ATOM 90 N VAL A 8 -4.468 21.639 1.829 1.00 9.45 N +ATOM 91 CA AVAL A 8 -3.399 22.070 0.979 0.50 10.11 C +ATOM 92 CA BVAL A 8 -3.402 22.088 0.938 0.50 10.59 C +ATOM 93 C VAL A 8 -3.576 21.558 -0.462 1.00 9.41 C +ATOM 94 O VAL A 8 -3.123 22.184 -1.421 1.00 10.52 O +ATOM 95 CB AVAL A 8 -2.027 21.706 1.660 0.50 11.32 C +ATOM 96 CB BVAL A 8 -1.947 21.772 1.413 0.50 13.23 C +ATOM 97 CG1AVAL A 8 -1.520 20.348 1.249 0.50 9.38 C +ATOM 98 CG1BVAL A 8 -1.554 22.640 2.543 0.50 15.16 C +ATOM 99 CG2AVAL A 8 -1.054 22.761 1.264 0.50 10.51 C +ATOM 100 CG2BVAL A 8 -1.687 20.300 1.566 0.50 10.65 C +ATOM 101 N PHE A 9 -4.252 20.423 -0.635 1.00 8.60 N +ATOM 102 CA PHE A 9 -4.644 19.990 -1.985 1.00 9.32 C +ATOM 103 C PHE A 9 -5.570 21.004 -2.642 1.00 8.68 C +ATOM 104 O PHE A 9 -5.568 21.166 -3.855 1.00 9.65 O +ATOM 105 CB PHE A 9 -5.251 18.586 -1.963 1.00 9.02 C +ATOM 106 CG PHE A 9 -4.240 17.476 -2.179 1.00 9.51 C +ATOM 107 CD1 PHE A 9 -4.325 16.647 -3.268 1.00 9.50 C +ATOM 108 CD2 PHE A 9 -3.184 17.280 -1.299 1.00 10.34 C +ATOM 109 CE1 PHE A 9 -3.405 15.676 -3.526 1.00 10.63 C +ATOM 110 CE2 PHE A 9 -2.281 16.273 -1.539 1.00 11.27 C +ATOM 111 CZ PHE A 9 -2.397 15.471 -2.632 1.00 11.54 C +ATOM 112 N ASN A 10 -6.431 21.603 -1.843 1.00 7.94 N +ATOM 113 CA ASN A 10 -7.422 22.569 -2.345 1.00 8.88 C +ATOM 114 C ASN A 10 -6.944 23.963 -2.432 1.00 8.80 C +ATOM 115 O ASN A 10 -7.476 24.739 -3.224 1.00 10.99 O +ATOM 116 CB ASN A 10 -8.725 22.439 -1.513 1.00 8.08 C +ATOM 117 CG ASN A 10 -9.547 21.274 -1.924 1.00 8.61 C +ATOM 118 OD1 ASN A 10 -9.557 20.184 -1.204 1.00 11.28 O +ATOM 119 ND2 ASN A 10 -10.251 21.393 -3.002 1.00 6.52 N +ATOM 120 N LYS A 11 -5.991 24.369 -1.610 1.00 8.77 N +ATOM 121 CA LYS A 11 -5.664 25.788 -1.494 1.00 9.71 C +ATOM 122 C LYS A 11 -5.146 26.372 -2.790 1.00 9.64 C +ATOM 123 O LYS A 11 -4.305 25.751 -3.462 1.00 9.84 O +ATOM 124 CB LYS A 11 -4.588 25.949 -0.373 1.00 10.09 C +ATOM 125 CG LYS A 11 -4.174 27.398 -0.121 1.00 11.93 C +ATOM 126 CD LYS A 11 -3.267 27.553 1.040 1.00 13.31 C +ATOM 127 CE LYS A 11 -2.719 28.853 1.295 1.00 17.91 C +ATOM 128 NZ LYS A 11 -3.733 29.767 1.577 1.00 22.22 N +ATOM 129 N VAL A 12 -5.619 27.542 -3.140 1.00 9.68 N +ATOM 130 CA VAL A 12 -5.157 28.245 -4.349 1.00 10.31 C +ATOM 131 C VAL A 12 -3.769 28.811 -4.159 1.00 10.43 C +ATOM 132 O VAL A 12 -3.460 29.442 -3.126 1.00 11.65 O +ATOM 133 CB VAL A 12 -6.121 29.390 -4.684 1.00 11.57 C +ATOM 134 CG1 VAL A 12 -5.558 30.235 -5.881 1.00 15.12 C +ATOM 135 CG2 VAL A 12 -7.479 28.902 -5.039 1.00 14.70 C +ATOM 136 N ASP A 13 -2.912 28.584 -5.088 1.00 11.31 N +ATOM 137 CA ASP A 13 -1.636 29.302 -5.214 1.00 12.04 C +ATOM 138 C ASP A 13 -1.767 30.354 -6.268 1.00 12.15 C +ATOM 139 O ASP A 13 -1.819 30.085 -7.505 1.00 12.99 O +ATOM 140 CB ASP A 13 -0.546 28.307 -5.475 1.00 12.58 C +ATOM 141 CG ASP A 13 0.867 28.935 -5.466 1.00 15.48 C +ATOM 142 OD1 ASP A 13 1.831 28.273 -4.993 1.00 16.42 O +ATOM 143 OD2 ASP A 13 0.935 30.118 -5.792 1.00 17.92 O +ATOM 144 N HIS A 14 -1.918 31.590 -5.840 1.00 13.24 N +ATOM 145 CA HIS A 14 -2.174 32.660 -6.753 1.00 14.52 C +ATOM 146 C HIS A 14 -0.958 33.030 -7.612 1.00 14.84 C +ATOM 147 O HIS A 14 -1.117 33.524 -8.727 1.00 15.62 O +ATOM 148 CB HIS A 14 -2.638 33.948 -6.031 1.00 17.12 C +ATOM 149 CG HIS A 14 -4.049 33.781 -5.476 1.00 16.48 C +ATOM 150 ND1 HIS A 14 -5.177 33.918 -6.247 1.00 19.33 N +ATOM 151 CD2 HIS A 14 -4.487 33.430 -4.221 1.00 22.31 C +ATOM 152 CE1 HIS A 14 -6.236 33.674 -5.502 1.00 22.05 C +ATOM 153 NE2 HIS A 14 -5.851 33.357 -4.272 1.00 24.22 N +ATOM 154 N ASP A 15 0.224 32.649 -7.201 1.00 14.89 N +ATOM 155 CA ASP A 15 1.418 32.775 -8.029 1.00 16.94 C +ATOM 156 C ASP A 15 1.300 31.890 -9.211 1.00 15.29 C +ATOM 157 O ASP A 15 1.663 32.197 -10.317 1.00 16.38 O +ATOM 158 CB ASP A 15 2.664 32.532 -7.237 1.00 19.90 C +ATOM 159 CG ASP A 15 2.982 33.561 -6.167 1.00 21.25 C +ATOM 160 OD1 ASP A 15 2.616 34.731 -6.344 1.00 27.58 O +ATOM 161 OD2 ASP A 15 3.559 33.048 -5.103 1.00 35.13 O +ATOM 162 N ARG A 16 0.760 30.691 -8.996 1.00 14.75 N +ATOM 163 CA ARG A 16 0.605 29.739 -10.004 1.00 13.75 C +ATOM 164 C ARG A 16 -0.440 30.206 -11.081 1.00 13.39 C +ATOM 165 O ARG A 16 -0.212 30.145 -12.315 1.00 14.58 O +ATOM 166 CB ARG A 16 0.176 28.361 -9.480 1.00 15.42 C +ATOM 167 CG ARG A 16 0.155 27.255 -10.469 1.00 13.92 C +ATOM 168 CD ARG A 16 1.524 26.996 -11.100 1.00 15.31 C +ATOM 169 NE ARG A 16 1.515 25.878 -11.968 1.00 14.14 N +ATOM 170 CZ ARG A 16 2.541 25.546 -12.746 1.00 16.19 C +ATOM 171 NH1 ARG A 16 3.674 26.299 -12.728 1.00 19.67 N +ATOM 172 NH2 ARG A 16 2.468 24.581 -13.586 1.00 17.94 N +ATOM 173 N ILE A 17 -1.535 30.760 -10.608 1.00 13.23 N +ATOM 174 CA ILE A 17 -2.496 31.405 -11.501 1.00 13.24 C +ATOM 175 C ILE A 17 -1.871 32.464 -12.349 1.00 14.99 C +ATOM 176 O ILE A 17 -2.084 32.571 -13.581 1.00 15.53 O +ATOM 177 CB ILE A 17 -3.731 31.895 -10.785 1.00 12.51 C +ATOM 178 CG1 ILE A 17 -4.537 30.776 -10.141 1.00 14.23 C +ATOM 179 CG2 ILE A 17 -4.669 32.784 -11.640 1.00 16.28 C +ATOM 180 CD1 ILE A 17 -5.650 31.176 -9.232 1.00 14.42 C +ATOM 181 N ARG A 18 -1.021 33.267 -11.761 1.00 15.54 N +ATOM 182 CA ARG A 18 -0.326 34.344 -12.498 1.00 17.27 C +ATOM 183 C ARG A 18 0.545 33.747 -13.513 1.00 17.15 C +ATOM 184 O ARG A 18 0.663 34.301 -14.637 1.00 21.05 O +ATOM 185 CB ARG A 18 0.460 35.168 -11.524 1.00 19.72 C +ATOM 186 CG ARG A 18 1.113 36.421 -12.146 1.00 26.68 C +ATOM 187 CD ARG A 18 2.201 37.016 -11.190 1.00 28.42 C +ATOM 188 NE ARG A 18 3.269 35.959 -11.004 1.00 31.44 N +ATOM 189 CZ ARG A 18 3.710 35.541 -9.834 1.00 35.15 C +ATOM 190 NH1 ARG A 18 3.049 35.945 -8.770 1.00 34.88 N +ATOM 191 NH2 ARG A 18 4.636 34.604 -9.715 1.00 31.96 N +ATOM 192 N ASP A 19 1.286 32.672 -13.252 1.00 15.89 N +ATOM 193 CA ASP A 19 2.311 32.111 -14.082 1.00 16.46 C +ATOM 194 C ASP A 19 1.755 31.318 -15.263 1.00 17.02 C +ATOM 195 O ASP A 19 2.348 31.376 -16.343 1.00 18.89 O +ATOM 196 CB ASP A 19 3.328 31.236 -13.302 1.00 17.79 C +ATOM 197 CG ASP A 19 4.234 32.029 -12.357 1.00 21.76 C +ATOM 198 OD1 ASP A 19 4.242 33.288 -12.472 1.00 25.26 O +ATOM 199 OD2 ASP A 19 4.823 31.339 -11.482 1.00 24.86 O +ATOM 200 N VAL A 20 0.718 30.551 -15.050 1.00 14.24 N +ATOM 201 CA VAL A 20 0.225 29.650 -16.085 1.00 14.55 C +ATOM 202 C VAL A 20 -1.214 29.881 -16.488 1.00 12.18 C +ATOM 203 O VAL A 20 -1.700 29.292 -17.460 1.00 12.29 O +ATOM 204 CB VAL A 20 0.391 28.202 -15.730 1.00 15.06 C +ATOM 205 CG1 VAL A 20 1.895 27.884 -15.476 1.00 19.85 C +ATOM 206 CG2 VAL A 20 -0.445 27.746 -14.466 1.00 14.60 C +ATOM 207 N GLY A 21 -1.887 30.814 -15.826 1.00 12.15 N +ATOM 208 CA GLY A 21 -3.247 31.161 -16.154 1.00 12.40 C +ATOM 209 C GLY A 21 -4.297 30.360 -15.387 1.00 10.32 C +ATOM 210 O GLY A 21 -3.995 29.258 -14.920 1.00 10.33 O +ATOM 211 N PRO A 22 -5.500 30.895 -15.254 1.00 9.96 N +ATOM 212 CA PRO A 22 -6.519 30.218 -14.482 1.00 10.13 C +ATOM 213 C PRO A 22 -6.844 28.792 -14.949 1.00 8.95 C +ATOM 214 O PRO A 22 -7.022 27.911 -14.106 1.00 8.35 O +ATOM 215 CB PRO A 22 -7.735 31.142 -14.641 1.00 10.57 C +ATOM 216 CG PRO A 22 -7.128 32.515 -14.732 1.00 13.06 C +ATOM 217 CD PRO A 22 -5.877 32.289 -15.560 1.00 11.83 C +ATOM 218 N ASP A 23 -6.966 28.562 -16.260 1.00 8.18 N +ATOM 219 CA ASP A 23 -7.373 27.218 -16.729 1.00 8.29 C +ATOM 220 C ASP A 23 -6.347 26.161 -16.392 1.00 8.37 C +ATOM 221 O ASP A 23 -6.731 25.081 -15.963 1.00 8.42 O +ATOM 222 CB ASP A 23 -7.706 27.218 -18.224 1.00 8.16 C +ATOM 223 CG ASP A 23 -9.013 27.910 -18.509 1.00 8.68 C +ATOM 224 OD1 ASP A 23 -10.042 27.271 -18.584 1.00 8.91 O +ATOM 225 OD2 ASP A 23 -8.983 29.155 -18.628 1.00 10.45 O +ATOM 226 N ARG A 24 -5.078 26.456 -16.550 1.00 9.11 N +ATOM 227 CA ARG A 24 -4.036 25.497 -16.192 1.00 8.49 C +ATOM 228 C ARG A 24 -3.985 25.284 -14.699 1.00 8.95 C +ATOM 229 O ARG A 24 -3.892 24.175 -14.223 1.00 8.83 O +ATOM 230 CB ARG A 24 -2.695 25.915 -16.769 1.00 9.92 C +ATOM 231 CG ARG A 24 -1.591 24.951 -16.382 1.00 12.25 C +ATOM 232 CD ARG A 24 -1.859 23.584 -16.644 1.00 15.31 C +ATOM 233 NE ARG A 24 -0.689 22.786 -16.473 1.00 24.43 N +ATOM 234 CZ ARG A 24 -0.123 22.211 -17.495 1.00 22.77 C +ATOM 235 NH1 ARG A 24 -0.720 22.260 -18.706 1.00 29.37 N +ATOM 236 NH2 ARG A 24 0.994 21.466 -17.362 1.00 25.11 N +ATOM 237 N ALA A 25 -4.045 26.341 -13.931 1.00 8.75 N +ATOM 238 CA ALA A 25 -3.988 26.235 -12.480 1.00 9.23 C +ATOM 239 C ALA A 25 -5.185 25.439 -11.966 1.00 8.22 C +ATOM 240 O ALA A 25 -5.049 24.596 -11.069 1.00 8.51 O +ATOM 241 CB ALA A 25 -3.939 27.603 -11.843 1.00 10.08 C +ATOM 242 N ALA A 26 -6.378 25.664 -12.540 1.00 7.91 N +ATOM 243 CA ALA A 26 -7.536 24.906 -12.145 1.00 7.77 C +ATOM 244 C ALA A 26 -7.464 23.456 -12.571 1.00 7.73 C +ATOM 245 O ALA A 26 -7.914 22.568 -11.867 1.00 7.70 O +ATOM 246 CB ALA A 26 -8.842 25.565 -12.680 1.00 7.94 C +ATOM 247 N SER A 27 -6.884 23.203 -13.749 1.00 7.60 N +ATOM 248 CA SER A 27 -6.681 21.834 -14.205 1.00 7.48 C +ATOM 249 C SER A 27 -5.797 21.066 -13.219 1.00 7.46 C +ATOM 250 O SER A 27 -6.053 19.914 -12.901 1.00 8.17 O +ATOM 251 CB SER A 27 -6.008 21.806 -15.558 1.00 8.59 C +ATOM 252 OG SER A 27 -6.802 22.417 -16.600 1.00 7.90 O +ATOM 253 N GLU A 28 -4.729 21.732 -12.733 1.00 7.92 N +ATOM 254 CA GLU A 28 -3.829 21.098 -11.775 1.00 8.62 C +ATOM 255 C GLU A 28 -4.544 20.783 -10.477 1.00 7.75 C +ATOM 256 O GLU A 28 -4.419 19.705 -9.901 1.00 8.32 O +ATOM 257 CB GLU A 28 -2.647 22.028 -11.528 1.00 8.69 C +ATOM 258 CG GLU A 28 -1.691 22.090 -12.737 1.00 9.76 C +ATOM 259 CD GLU A 28 -0.700 23.208 -12.655 1.00 11.91 C +ATOM 260 OE1 GLU A 28 -0.660 23.971 -11.747 1.00 13.99 O +ATOM 261 OE2 GLU A 28 0.069 23.239 -13.660 1.00 17.40 O +ATOM 262 N TRP A 29 -5.320 21.744 -9.971 1.00 7.50 N +ATOM 263 CA TRP A 29 -6.141 21.539 -8.765 1.00 7.61 C +ATOM 264 C TRP A 29 -7.077 20.376 -8.929 1.00 7.55 C +ATOM 265 O TRP A 29 -7.144 19.480 -8.099 1.00 7.57 O +ATOM 266 CB TRP A 29 -6.890 22.847 -8.469 1.00 7.88 C +ATOM 267 CG TRP A 29 -8.060 22.620 -7.492 1.00 7.53 C +ATOM 268 CD1 TRP A 29 -8.034 22.182 -6.212 1.00 7.66 C +ATOM 269 CD2 TRP A 29 -9.441 22.922 -7.786 1.00 7.73 C +ATOM 270 NE1 TRP A 29 -9.299 22.137 -5.702 1.00 8.59 N +ATOM 271 CE2 TRP A 29 -10.171 22.597 -6.645 1.00 7.42 C +ATOM 272 CE3 TRP A 29 -10.130 23.414 -8.924 1.00 8.01 C +ATOM 273 CZ2 TRP A 29 -11.543 22.706 -6.590 1.00 8.69 C +ATOM 274 CZ3 TRP A 29 -11.468 23.534 -8.855 1.00 8.65 C +ATOM 275 CH2 TRP A 29 -12.165 23.186 -7.728 1.00 8.90 C +ATOM 276 N LEU A 30 -7.847 20.359 -10.029 1.00 7.70 N +ATOM 277 CA LEU A 30 -8.808 19.313 -10.221 1.00 7.24 C +ATOM 278 C LEU A 30 -8.148 17.959 -10.322 1.00 7.88 C +ATOM 279 O LEU A 30 -8.553 17.006 -9.650 1.00 8.20 O +ATOM 280 CB LEU A 30 -9.675 19.637 -11.453 1.00 8.02 C +ATOM 281 CG LEU A 30 -10.737 20.732 -11.122 1.00 7.81 C +ATOM 282 CD1 LEU A 30 -11.203 21.477 -12.351 1.00 9.47 C +ATOM 283 CD2 LEU A 30 -11.882 20.159 -10.318 1.00 8.96 C +ATOM 284 N LEU A 31 -7.101 17.831 -11.153 1.00 8.17 N +ATOM 285 CA LEU A 31 -6.480 16.514 -11.300 1.00 8.15 C +ATOM 286 C LEU A 31 -5.777 16.083 -10.043 1.00 8.50 C +ATOM 287 O LEU A 31 -5.863 14.898 -9.683 1.00 9.15 O +ATOM 288 CB LEU A 31 -5.544 16.491 -12.519 1.00 9.27 C +ATOM 289 CG LEU A 31 -6.260 16.100 -13.847 1.00 10.37 C +ATOM 290 CD1 LEU A 31 -7.295 17.115 -14.245 1.00 10.11 C +ATOM 291 CD2 LEU A 31 -5.318 15.871 -14.970 1.00 12.84 C +ATOM 292 N ARG A 32 -5.119 16.963 -9.301 1.00 8.61 N +ATOM 293 CA ARG A 32 -4.459 16.535 -8.073 1.00 9.25 C +ATOM 294 C ARG A 32 -5.456 16.056 -7.030 1.00 9.02 C +ATOM 295 O ARG A 32 -5.137 15.233 -6.172 1.00 9.91 O +ATOM 296 CB ARG A 32 -3.493 17.585 -7.545 1.00 9.70 C +ATOM 297 CG ARG A 32 -4.105 18.757 -6.843 1.00 8.68 C +ATOM 298 CD ARG A 32 -3.175 19.930 -6.824 1.00 9.59 C +ATOM 299 NE ARG A 32 -3.726 21.035 -6.017 1.00 8.81 N +ATOM 300 CZ ARG A 32 -3.490 22.305 -6.237 1.00 10.07 C +ATOM 301 NH1 ARG A 32 -2.738 22.762 -7.217 1.00 11.23 N +ATOM 302 NH2 ARG A 32 -4.100 23.200 -5.464 1.00 11.34 N +ATOM 303 N CYS A 33 -6.700 16.577 -7.112 1.00 8.42 N +ATOM 304 CA CYS A 33 -7.800 16.200 -6.269 1.00 8.24 C +ATOM 305 C CYS A 33 -8.662 15.068 -6.775 1.00 8.88 C +ATOM 306 O CYS A 33 -9.737 14.791 -6.230 1.00 9.67 O +ATOM 307 CB CYS A 33 -8.657 17.401 -5.892 1.00 8.71 C +ATOM 308 SG CYS A 33 -7.844 18.676 -4.904 1.00 9.77 S +ATOM 309 N GLY A 34 -8.206 14.387 -7.823 1.00 8.96 N +ATOM 310 CA GLY A 34 -8.961 13.226 -8.292 1.00 10.15 C +ATOM 311 C GLY A 34 -10.089 13.516 -9.226 1.00 9.91 C +ATOM 312 O GLY A 34 -10.981 12.646 -9.374 1.00 12.72 O +ATOM 313 N ALA A 35 -10.136 14.668 -9.815 1.00 8.33 N +ATOM 314 CA ALA A 35 -11.122 15.027 -10.807 1.00 8.30 C +ATOM 315 C ALA A 35 -10.455 14.988 -12.199 1.00 8.24 C +ATOM 316 O ALA A 35 -9.265 14.797 -12.367 1.00 9.44 O +ATOM 317 CB ALA A 35 -11.738 16.373 -10.488 1.00 8.35 C +ATOM 318 N MET A 36 -11.302 15.210 -13.226 1.00 8.28 N +ATOM 319 CA MET A 36 -10.883 15.237 -14.629 1.00 8.09 C +ATOM 320 C MET A 36 -11.422 16.497 -15.257 1.00 8.26 C +ATOM 321 O MET A 36 -12.455 17.015 -14.859 1.00 8.42 O +ATOM 322 CB MET A 36 -11.394 14.027 -15.359 1.00 8.89 C +ATOM 323 CG MET A 36 -10.994 12.695 -14.758 1.00 10.30 C +ATOM 324 SD MET A 36 -11.771 11.309 -15.708 1.00 13.99 S +ATOM 325 CE MET A 36 -11.208 9.907 -14.743 1.00 15.12 C +ATOM 326 N VAL A 37 -10.741 16.958 -16.330 1.00 7.98 N +ATOM 327 CA VAL A 37 -11.234 18.078 -17.118 1.00 7.91 C +ATOM 328 C VAL A 37 -11.121 17.735 -18.574 1.00 7.33 C +ATOM 329 O VAL A 37 -10.277 16.943 -18.987 1.00 8.33 O +ATOM 330 CB VAL A 37 -10.482 19.389 -16.831 1.00 8.58 C +ATOM 331 CG1 VAL A 37 -10.538 19.749 -15.357 1.00 9.33 C +ATOM 332 CG2 VAL A 37 -9.020 19.403 -17.282 1.00 9.52 C +ATOM 333 N ARG A 38 -11.912 18.415 -19.378 1.00 7.23 N +ATOM 334 CA ARG A 38 -11.830 18.334 -20.845 1.00 7.04 C +ATOM 335 C ARG A 38 -11.847 19.724 -21.389 1.00 7.29 C +ATOM 336 O ARG A 38 -12.696 20.565 -21.031 1.00 7.43 O +ATOM 337 CB ARG A 38 -12.996 17.526 -21.410 1.00 8.10 C +ATOM 338 CG ARG A 38 -12.819 17.276 -22.918 1.00 7.64 C +ATOM 339 CD ARG A 38 -13.965 16.497 -23.532 1.00 8.42 C +ATOM 340 NE ARG A 38 -15.250 17.135 -23.344 1.00 8.20 N +ATOM 341 CZ ARG A 38 -15.611 18.297 -23.865 1.00 8.61 C +ATOM 342 NH1 ARG A 38 -14.840 18.941 -24.743 1.00 9.62 N +ATOM 343 NH2 ARG A 38 -16.770 18.847 -23.514 1.00 9.39 N +ATOM 344 N TYR A 39 -10.902 19.996 -22.284 1.00 6.98 N +ATOM 345 CA TYR A 39 -10.755 21.317 -22.888 1.00 7.40 C +ATOM 346 C TYR A 39 -11.646 21.489 -24.100 1.00 7.20 C +ATOM 347 O TYR A 39 -11.926 20.550 -24.849 1.00 7.87 O +ATOM 348 CB TYR A 39 -9.309 21.544 -23.284 1.00 7.53 C +ATOM 349 CG TYR A 39 -8.373 21.499 -22.117 1.00 7.90 C +ATOM 350 CD1 TYR A 39 -8.560 22.275 -21.008 1.00 7.80 C +ATOM 351 CD2 TYR A 39 -7.226 20.707 -22.123 1.00 8.08 C +ATOM 352 CE1 TYR A 39 -7.671 22.251 -19.921 1.00 8.48 C +ATOM 353 CE2 TYR A 39 -6.342 20.680 -21.078 1.00 8.83 C +ATOM 354 CZ TYR A 39 -6.581 21.477 -19.952 1.00 8.50 C +ATOM 355 OH TYR A 39 -5.701 21.403 -18.893 1.00 10.35 O +ATOM 356 N HIS A 40 -12.068 22.738 -24.301 1.00 7.33 N +ATOM 357 CA HIS A 40 -12.712 23.112 -25.566 1.00 8.16 C +ATOM 358 C HIS A 40 -11.859 22.648 -26.703 1.00 8.37 C +ATOM 359 O HIS A 40 -10.655 22.836 -26.746 1.00 9.34 O +ATOM 360 CB HIS A 40 -12.849 24.648 -25.640 1.00 8.16 C +ATOM 361 CG HIS A 40 -14.014 25.175 -24.879 1.00 8.45 C +ATOM 362 ND1 HIS A 40 -15.274 25.154 -25.412 1.00 9.17 N +ATOM 363 CD2 HIS A 40 -14.130 25.584 -23.584 1.00 7.75 C +ATOM 364 CE1 HIS A 40 -16.113 25.594 -24.509 1.00 9.03 C +ATOM 365 NE2 HIS A 40 -15.435 25.874 -23.365 1.00 8.25 N +ATOM 366 N GLY A 41 -12.531 22.044 -27.698 1.00 8.92 N +ATOM 367 CA GLY A 41 -11.905 21.599 -28.909 1.00 9.69 C +ATOM 368 C GLY A 41 -11.277 20.196 -28.840 1.00 8.69 C +ATOM 369 O GLY A 41 -10.740 19.749 -29.830 1.00 9.20 O +ATOM 370 N GLN A 42 -11.313 19.571 -27.672 1.00 8.04 N +ATOM 371 CA AGLN A 42 -10.730 18.263 -27.530 0.50 8.47 C +ATOM 372 CA BGLN A 42 -10.726 18.255 -27.460 0.50 8.64 C +ATOM 373 C GLN A 42 -11.791 17.241 -27.152 1.00 8.50 C +ATOM 374 O GLN A 42 -12.664 17.480 -26.331 1.00 9.78 O +ATOM 375 CB AGLN A 42 -9.570 18.279 -26.504 0.50 9.03 C +ATOM 376 CB BGLN A 42 -9.819 18.263 -26.222 0.50 9.10 C +ATOM 377 CG AGLN A 42 -8.499 19.284 -26.904 0.50 10.03 C +ATOM 378 CG BGLN A 42 -8.628 19.167 -26.384 0.50 10.21 C +ATOM 379 CD AGLN A 42 -7.232 19.026 -26.218 0.50 10.52 C +ATOM 380 CD BGLN A 42 -7.781 18.679 -27.531 0.50 11.91 C +ATOM 381 OE1AGLN A 42 -7.190 18.583 -25.048 0.50 10.93 O +ATOM 382 OE1BGLN A 42 -7.331 17.522 -27.587 0.50 12.76 O +ATOM 383 NE2AGLN A 42 -6.084 19.205 -26.914 0.50 14.05 N +ATOM 384 NE2BGLN A 42 -7.435 19.566 -28.419 0.50 12.82 N +ATOM 385 N GLN A 43 -11.667 16.088 -27.768 1.00 8.86 N +ATOM 386 CA GLN A 43 -12.532 14.974 -27.456 1.00 10.63 C +ATOM 387 C GLN A 43 -12.107 14.224 -26.194 1.00 9.81 C +ATOM 388 O GLN A 43 -12.961 13.686 -25.486 1.00 12.07 O +ATOM 389 CB GLN A 43 -12.507 14.044 -28.657 1.00 14.14 C +ATOM 390 CG GLN A 43 -13.642 13.086 -28.424 1.00 21.18 C +ATOM 391 CD GLN A 43 -13.934 12.229 -29.543 1.00 22.56 C +ATOM 392 OE1 GLN A 43 -12.888 11.887 -30.311 1.00 22.69 O +ATOM 393 NE2 GLN A 43 -15.054 11.755 -29.492 1.00 25.95 N +ATOM 394 N ARG A 44 -10.828 14.111 -25.989 1.00 9.52 N +ATOM 395 CA ARG A 44 -10.317 13.301 -24.886 1.00 10.81 C +ATOM 396 C ARG A 44 -10.202 14.127 -23.604 1.00 9.19 C +ATOM 397 O ARG A 44 -9.983 15.315 -23.636 1.00 10.64 O +ATOM 398 CB ARG A 44 -8.953 12.736 -25.266 1.00 13.47 C +ATOM 399 CG ARG A 44 -9.178 11.670 -26.393 1.00 20.83 C +ATOM 400 CD ARG A 44 -7.949 10.914 -26.594 1.00 30.78 C +ATOM 401 NE ARG A 44 -8.037 10.011 -27.733 1.00 44.59 N +ATOM 402 CZ ARG A 44 -6.951 9.390 -28.217 1.00 52.47 C +ATOM 403 NH1 ARG A 44 -5.741 9.673 -27.708 1.00 55.07 N +ATOM 404 NH2 ARG A 44 -7.055 8.508 -29.225 1.00 52.94 N +ATOM 405 N TRP A 45 -10.369 13.448 -22.512 1.00 8.54 N +ATOM 406 CA TRP A 45 -10.250 14.011 -21.160 1.00 9.05 C +ATOM 407 C TRP A 45 -8.856 13.959 -20.630 1.00 8.70 C +ATOM 408 O TRP A 45 -8.095 13.049 -20.879 1.00 10.94 O +ATOM 409 CB TRP A 45 -11.263 13.255 -20.228 1.00 8.71 C +ATOM 410 CG TRP A 45 -12.659 13.583 -20.442 1.00 8.49 C +ATOM 411 CD1 TRP A 45 -13.460 13.208 -21.475 1.00 8.24 C +ATOM 412 CD2 TRP A 45 -13.445 14.392 -19.591 1.00 7.73 C +ATOM 413 NE1 TRP A 45 -14.683 13.787 -21.335 1.00 8.59 N +ATOM 414 CE2 TRP A 45 -14.690 14.522 -20.156 1.00 7.66 C +ATOM 415 CE3 TRP A 45 -13.178 15.101 -18.405 1.00 8.40 C +ATOM 416 CZ2 TRP A 45 -15.696 15.305 -19.581 1.00 8.87 C +ATOM 417 CZ3 TRP A 45 -14.183 15.874 -17.851 1.00 10.59 C +ATOM 418 CH2 TRP A 45 -15.397 15.941 -18.426 1.00 8.97 C +ATOM 419 N GLN A 46 -8.563 14.980 -19.832 1.00 8.50 N +ATOM 420 CA GLN A 46 -7.366 15.014 -18.985 1.00 8.60 C +ATOM 421 C GLN A 46 -7.662 14.260 -17.690 1.00 9.41 C +ATOM 422 O GLN A 46 -8.489 14.661 -16.896 1.00 10.35 O +ATOM 423 CB GLN A 46 -6.959 16.444 -18.622 1.00 8.46 C +ATOM 424 CG GLN A 46 -6.910 17.385 -19.840 1.00 9.39 C +ATOM 425 CD GLN A 46 -5.953 16.996 -20.858 1.00 10.55 C +ATOM 426 OE1 GLN A 46 -4.809 16.543 -20.567 1.00 13.68 O +ATOM 427 NE2 GLN A 46 -6.315 17.238 -22.109 1.00 11.46 N +ATOM 428 N LYS A 47 -6.931 13.170 -17.474 1.00 10.36 N +ATOM 429 CA LYS A 47 -7.145 12.411 -16.254 1.00 13.12 C +ATOM 430 C LYS A 47 -5.929 12.114 -15.496 1.00 13.14 C +ATOM 431 O LYS A 47 -6.100 11.798 -14.272 1.00 17.51 O +ATOM 432 CB LYS A 47 -8.029 11.197 -16.433 1.00 16.45 C +ATOM 433 CG LYS A 47 -7.442 10.240 -17.339 1.00 14.69 C +ATOM 434 CD LYS A 47 -8.532 9.035 -17.589 1.00 19.19 C +ATOM 435 CE LYS A 47 -7.961 8.018 -18.481 1.00 19.11 C +ATOM 436 NZ LYS A 47 -7.447 8.399 -19.748 1.00 20.31 N +ATOM 437 N ASP A 48 -4.729 12.312 -16.027 1.00 11.38 N +ATOM 438 CA ASP A 48 -3.433 12.139 -15.302 1.00 13.79 C +ATOM 439 C ASP A 48 -2.688 13.444 -15.240 1.00 12.55 C +ATOM 440 O ASP A 48 -2.387 14.107 -16.240 1.00 12.39 O +ATOM 441 CB ASP A 48 -2.526 11.112 -16.050 1.00 15.39 C +ATOM 442 CG ASP A 48 -1.109 10.894 -15.385 1.00 18.31 C +ATOM 443 OD1 ASP A 48 -0.623 11.673 -14.548 1.00 20.42 O +ATOM 444 OD2 ASP A 48 -0.554 9.835 -15.672 1.00 24.81 O +ATOM 445 N TYR A 49 -2.478 13.878 -13.991 1.00 12.24 N +ATOM 446 CA TYR A 49 -1.830 15.113 -13.738 1.00 12.17 C +ATOM 447 C TYR A 49 -0.564 15.332 -14.565 1.00 11.31 C +ATOM 448 O TYR A 49 -0.288 16.420 -15.067 1.00 12.50 O +ATOM 449 CB TYR A 49 -1.495 15.191 -12.242 1.00 11.43 C +ATOM 450 CG TYR A 49 -0.899 16.469 -11.758 1.00 10.85 C +ATOM 451 CD1 TYR A 49 -1.693 17.439 -11.116 1.00 10.51 C +ATOM 452 CD2 TYR A 49 0.467 16.803 -11.973 1.00 11.41 C +ATOM 453 CE1 TYR A 49 -1.174 18.621 -10.739 1.00 11.38 C +ATOM 454 CE2 TYR A 49 0.956 17.957 -11.539 1.00 12.77 C +ATOM 455 CZ TYR A 49 0.171 18.913 -10.928 1.00 11.95 C +ATOM 456 OH TYR A 49 0.661 20.106 -10.546 1.00 14.48 O +ATOM 457 N ASN A 50 0.229 14.258 -14.651 1.00 11.94 N +ATOM 458 CA ASN A 50 1.514 14.361 -15.280 1.00 12.21 C +ATOM 459 C ASN A 50 1.448 14.497 -16.792 1.00 13.97 C +ATOM 460 O ASN A 50 2.497 14.787 -17.427 1.00 15.84 O +ATOM 461 CB ASN A 50 2.407 13.182 -14.899 1.00 12.79 C +ATOM 462 CG ASN A 50 2.833 13.260 -13.452 1.00 13.95 C +ATOM 463 OD1 ASN A 50 2.899 14.311 -12.864 1.00 15.06 O +ATOM 464 ND2 ASN A 50 3.224 12.146 -12.898 1.00 21.82 N +ATOM 465 N HIS A 51 0.289 14.323 -17.383 1.00 12.57 N +ATOM 466 CA HIS A 51 0.084 14.406 -18.819 1.00 14.60 C +ATOM 467 C HIS A 51 -0.613 15.629 -19.242 1.00 13.30 C +ATOM 468 O HIS A 51 -0.992 15.757 -20.398 1.00 14.72 O +ATOM 469 CB HIS A 51 -0.634 13.162 -19.295 1.00 17.41 C +ATOM 470 CG HIS A 51 0.135 11.939 -19.082 1.00 22.04 C +ATOM 471 ND1 HIS A 51 -0.481 10.721 -19.070 1.00 29.35 N +ATOM 472 CD2 HIS A 51 1.410 11.737 -18.726 1.00 26.75 C +ATOM 473 CE1 HIS A 51 0.449 9.772 -18.903 1.00 36.44 C +ATOM 474 NE2 HIS A 51 1.621 10.368 -18.677 1.00 29.31 N +ATOM 475 N LEU A 52 -0.839 16.574 -18.362 1.00 12.23 N +ATOM 476 CA LEU A 52 -1.440 17.822 -18.757 1.00 12.94 C +ATOM 477 C LEU A 52 -0.520 18.485 -19.756 1.00 15.18 C +ATOM 478 O LEU A 52 0.721 18.329 -19.763 1.00 15.89 O +ATOM 479 CB LEU A 52 -1.556 18.725 -17.542 1.00 13.49 C +ATOM 480 CG LEU A 52 -2.713 18.368 -16.614 1.00 12.07 C +ATOM 481 CD1 LEU A 52 -2.590 19.191 -15.306 1.00 14.38 C +ATOM 482 CD2 LEU A 52 -4.096 18.641 -17.272 1.00 12.33 C +ATOM 483 N PRO A 53 -1.075 19.187 -20.771 1.00 16.13 N +ATOM 484 CA PRO A 53 -0.251 19.703 -21.837 1.00 18.18 C +ATOM 485 C PRO A 53 0.726 20.748 -21.296 1.00 23.20 C +ATOM 486 O PRO A 53 0.476 21.523 -20.350 1.00 26.09 O +ATOM 487 CB PRO A 53 -1.306 20.413 -22.732 1.00 20.22 C +ATOM 488 CG PRO A 53 -2.581 20.488 -21.970 1.00 22.23 C +ATOM 489 CD PRO A 53 -2.500 19.509 -20.888 1.00 17.10 C +ATOM 490 N THR A 54 1.818 20.828 -22.051 1.00 25.61 N +ATOM 491 CA THR A 54 2.832 21.879 -21.782 1.00 30.26 C +ATOM 492 C THR A 54 2.877 22.914 -22.921 1.00 34.89 C +ATOM 493 O THR A 54 3.849 23.736 -23.026 1.00 42.15 O +ATOM 494 CB THR A 54 4.203 21.241 -21.623 1.00 30.80 C +ATOM 495 OG1 THR A 54 4.452 20.474 -22.766 1.00 30.04 O +ATOM 496 CG2 THR A 54 4.332 20.302 -20.586 1.00 32.10 C +ATOM 497 N GLY A 55 2.006 22.663 -23.874 1.00 34.36 N +ATOM 498 CA GLY A 55 1.811 23.478 -25.099 1.00 37.82 C +ATOM 499 C GLY A 55 0.909 24.668 -24.898 1.00 35.81 C +ATOM 500 O GLY A 55 -0.263 24.456 -24.389 1.00 44.73 O +ATOM 501 N PRO A 56 1.301 25.856 -25.517 1.00 29.36 N +ATOM 502 CA PRO A 56 1.391 27.271 -25.368 1.00 25.58 C +ATOM 503 C PRO A 56 0.681 27.764 -24.111 1.00 23.48 C +ATOM 504 O PRO A 56 -0.380 27.254 -23.757 1.00 21.94 O +ATOM 505 CB PRO A 56 0.664 27.889 -26.634 1.00 24.81 C +ATOM 506 CG PRO A 56 0.759 26.741 -27.571 1.00 30.32 C +ATOM 507 CD PRO A 56 0.637 25.493 -26.813 1.00 30.58 C +ATOM 508 N LEU A 57 1.210 28.855 -23.552 1.00 20.94 N +ATOM 509 CA LEU A 57 0.613 29.495 -22.416 1.00 21.18 C +ATOM 510 C LEU A 57 -0.795 29.905 -22.550 1.00 18.74 C +ATOM 511 O LEU A 57 -1.190 30.610 -23.450 1.00 19.10 O +ATOM 512 CB LEU A 57 1.426 30.761 -22.170 1.00 24.65 C +ATOM 513 CG LEU A 57 2.853 30.594 -21.685 1.00 38.29 C +ATOM 514 CD1 LEU A 57 3.493 31.986 -21.438 1.00 43.93 C +ATOM 515 CD2 LEU A 57 2.757 29.691 -20.360 1.00 43.13 C +ATOM 516 N ASP A 58 -1.607 29.325 -21.672 1.00 17.38 N +ATOM 517 CA ASP A 58 -3.006 29.680 -21.512 1.00 15.51 C +ATOM 518 C ASP A 58 -3.861 29.422 -22.777 1.00 14.36 C +ATOM 519 O ASP A 58 -4.932 29.972 -22.897 1.00 18.20 O +ATOM 520 CB ASP A 58 -3.114 31.149 -21.104 1.00 17.51 C +ATOM 521 CG ASP A 58 -4.406 31.530 -20.493 1.00 17.23 C +ATOM 522 OD1 ASP A 58 -5.049 30.750 -19.827 1.00 16.81 O +ATOM 523 OD2 ASP A 58 -4.899 32.673 -20.716 1.00 21.15 O +ATOM 524 N LYS A 59 -3.440 28.451 -23.596 1.00 14.73 N +ATOM 525 CA LYS A 59 -4.174 28.101 -24.782 1.00 13.94 C +ATOM 526 C LYS A 59 -5.479 27.272 -24.489 1.00 13.15 C +ATOM 527 O LYS A 59 -6.544 27.525 -24.997 1.00 15.00 O +ATOM 528 CB LYS A 59 -3.327 27.235 -25.697 1.00 17.10 C +ATOM 529 CG LYS A 59 -4.014 26.604 -26.861 1.00 19.56 C +ATOM 530 CD LYS A 59 -3.086 25.849 -27.798 1.00 24.63 C +ATOM 531 CE LYS A 59 -3.771 25.239 -29.039 1.00 26.31 C +ATOM 532 NZ LYS A 59 -4.356 26.241 -29.856 1.00 33.58 N +ATOM 533 N TYR A 60 -5.349 26.288 -23.667 1.00 11.07 N +ATOM 534 CA TYR A 60 -6.401 25.287 -23.385 1.00 10.12 C +ATOM 535 C TYR A 60 -7.366 25.851 -22.354 1.00 9.04 C +ATOM 536 O TYR A 60 -6.963 26.345 -21.295 1.00 10.40 O +ATOM 537 CB TYR A 60 -5.779 23.987 -22.961 1.00 11.11 C +ATOM 538 CG TYR A 60 -5.041 23.308 -24.114 1.00 13.02 C +ATOM 539 CD1 TYR A 60 -5.732 22.882 -25.202 1.00 16.85 C +ATOM 540 CD2 TYR A 60 -3.643 23.235 -24.080 1.00 16.53 C +ATOM 541 CE1 TYR A 60 -5.008 22.304 -26.389 1.00 18.60 C +ATOM 542 CE2 TYR A 60 -2.868 22.747 -25.195 1.00 17.20 C +ATOM 543 CZ TYR A 60 -3.645 22.314 -26.207 1.00 17.87 C +ATOM 544 OH TYR A 60 -2.922 21.800 -27.382 1.00 22.48 O +ATOM 545 N LYS A 61 -8.639 25.752 -22.663 1.00 8.20 N +ATOM 546 CA LYS A 61 -9.699 26.289 -21.843 1.00 7.34 C +ATOM 547 C LYS A 61 -10.629 25.195 -21.418 1.00 7.70 C +ATOM 548 O LYS A 61 -11.122 24.413 -22.240 1.00 7.98 O +ATOM 549 CB LYS A 61 -10.507 27.341 -22.619 1.00 8.23 C +ATOM 550 CG LYS A 61 -9.704 28.445 -23.244 1.00 9.53 C +ATOM 551 CD LYS A 61 -8.857 29.244 -22.277 1.00 10.49 C +ATOM 552 CE LYS A 61 -8.182 30.418 -22.983 1.00 10.74 C +ATOM 553 NZ LYS A 61 -7.314 31.173 -22.007 1.00 12.43 N +ATOM 554 N ILE A 62 -10.884 25.085 -20.115 1.00 7.49 N +ATOM 555 CA ILE A 62 -11.778 24.054 -19.631 1.00 7.41 C +ATOM 556 C ILE A 62 -13.200 24.251 -20.128 1.00 7.28 C +ATOM 557 O ILE A 62 -13.789 25.326 -19.954 1.00 7.61 O +ATOM 558 CB ILE A 62 -11.786 24.020 -18.065 1.00 7.43 C +ATOM 559 CG1 ILE A 62 -10.393 23.683 -17.532 1.00 8.24 C +ATOM 560 CG2 ILE A 62 -12.848 23.014 -17.551 1.00 8.06 C +ATOM 561 CD1 ILE A 62 -10.215 23.919 -15.994 1.00 9.41 C +ATOM 562 N GLN A 63 -13.750 23.198 -20.737 1.00 6.71 N +ATOM 563 CA GLN A 63 -15.139 23.150 -21.112 1.00 7.05 C +ATOM 564 C GLN A 63 -15.979 22.333 -20.143 1.00 6.61 C +ATOM 565 O GLN A 63 -17.127 22.682 -19.848 1.00 7.08 O +ATOM 566 CB GLN A 63 -15.290 22.564 -22.535 1.00 7.36 C +ATOM 567 CG GLN A 63 -16.747 22.537 -23.016 1.00 8.27 C +ATOM 568 CD GLN A 63 -16.874 22.264 -24.488 1.00 9.11 C +ATOM 569 OE1 GLN A 63 -16.053 21.547 -25.070 1.00 9.50 O +ATOM 570 NE2 GLN A 63 -17.885 22.830 -25.149 1.00 10.08 N +ATOM 571 N ALA A 64 -15.446 21.197 -19.686 1.00 6.62 N +ATOM 572 CA ALA A 64 -16.172 20.261 -18.841 1.00 6.85 C +ATOM 573 C ALA A 64 -15.286 19.791 -17.709 1.00 6.88 C +ATOM 574 O ALA A 64 -14.092 19.606 -17.875 1.00 7.09 O +ATOM 575 CB ALA A 64 -16.682 19.067 -19.682 1.00 7.58 C +ATOM 576 N ILE A 65 -15.909 19.586 -16.568 1.00 6.93 N +ATOM 577 CA ILE A 65 -15.304 19.030 -15.380 1.00 7.12 C +ATOM 578 C ILE A 65 -16.074 17.831 -14.949 1.00 7.10 C +ATOM 579 O ILE A 65 -17.283 17.850 -14.878 1.00 7.06 O +ATOM 580 CB ILE A 65 -15.289 20.119 -14.258 1.00 7.08 C +ATOM 581 CG1 ILE A 65 -14.460 21.321 -14.688 1.00 7.71 C +ATOM 582 CG2 ILE A 65 -14.796 19.490 -12.922 1.00 8.63 C +ATOM 583 CD1 ILE A 65 -14.635 22.545 -13.780 1.00 8.93 C +ATOM 584 N ASP A 66 -15.337 16.736 -14.614 1.00 7.08 N +ATOM 585 CA ASP A 66 -15.943 15.532 -14.069 1.00 7.78 C +ATOM 586 C ASP A 66 -15.188 15.185 -12.816 1.00 7.67 C +ATOM 587 O ASP A 66 -14.084 14.634 -12.850 1.00 8.03 O +ATOM 588 CB ASP A 66 -15.917 14.386 -15.095 1.00 8.97 C +ATOM 589 CG ASP A 66 -16.518 13.147 -14.585 1.00 11.63 C +ATOM 590 OD1 ASP A 66 -16.829 13.069 -13.371 1.00 11.17 O +ATOM 591 OD2 ASP A 66 -16.708 12.215 -15.435 1.00 13.63 O +ATOM 592 N ALA A 67 -15.746 15.578 -11.670 1.00 7.33 N +ATOM 593 CA ALA A 67 -15.141 15.318 -10.358 1.00 7.65 C +ATOM 594 C ALA A 67 -15.890 14.162 -9.740 1.00 8.67 C +ATOM 595 O ALA A 67 -16.967 14.325 -9.150 1.00 9.16 O +ATOM 596 CB ALA A 67 -15.247 16.583 -9.505 1.00 8.43 C +ATOM 597 N THR A 68 -15.366 12.959 -9.942 1.00 8.90 N +ATOM 598 CA THR A 68 -15.935 11.704 -9.382 1.00 9.67 C +ATOM 599 C THR A 68 -14.936 11.166 -8.377 1.00 9.01 C +ATOM 600 O THR A 68 -13.751 11.040 -8.694 1.00 10.38 O +ATOM 601 CB THR A 68 -16.230 10.721 -10.491 1.00 10.29 C +ATOM 602 OG1 THR A 68 -17.205 11.265 -11.341 1.00 11.10 O +ATOM 603 CG2 THR A 68 -16.788 9.387 -9.915 1.00 12.13 C +ATOM 604 N ASP A 69 -15.390 10.882 -7.170 1.00 8.99 N +ATOM 605 CA ASP A 69 -14.495 10.353 -6.153 1.00 10.23 C +ATOM 606 C ASP A 69 -13.325 11.276 -5.910 1.00 10.38 C +ATOM 607 O ASP A 69 -12.177 10.885 -5.858 1.00 11.92 O +ATOM 608 CB ASP A 69 -14.043 8.899 -6.466 1.00 11.36 C +ATOM 609 CG ASP A 69 -15.160 7.901 -6.258 1.00 14.11 C +ATOM 610 OD1 ASP A 69 -15.645 7.876 -5.155 1.00 18.04 O +ATOM 611 OD2 ASP A 69 -15.426 7.099 -7.135 1.00 19.43 O +ATOM 612 N SER A 70 -13.635 12.560 -5.738 1.00 9.90 N +ATOM 613 CA SER A 70 -12.674 13.658 -5.644 1.00 9.79 C +ATOM 614 C SER A 70 -12.698 14.303 -4.307 1.00 9.60 C +ATOM 615 O SER A 70 -13.775 14.328 -3.633 1.00 10.26 O +ATOM 616 CB SER A 70 -13.043 14.711 -6.732 1.00 10.16 C +ATOM 617 OG SER A 70 -12.274 15.830 -6.657 1.00 11.24 O +ATOM 618 N CYS A 71 -11.599 14.874 -3.911 1.00 9.26 N +ATOM 619 CA CYS A 71 -11.503 15.544 -2.582 1.00 10.22 C +ATOM 620 C CYS A 71 -11.646 17.042 -2.678 1.00 9.56 C +ATOM 621 O CYS A 71 -11.355 17.757 -1.718 1.00 10.35 O +ATOM 622 CB CYS A 71 -10.156 15.179 -1.905 1.00 11.84 C +ATOM 623 SG CYS A 71 -8.638 15.819 -2.724 1.00 12.81 S +ATOM 624 N ILE A 72 -12.163 17.568 -3.780 1.00 9.37 N +ATOM 625 CA ILE A 72 -12.394 19.008 -3.902 1.00 8.38 C +ATOM 626 C ILE A 72 -13.378 19.468 -2.832 1.00 10.02 C +ATOM 627 O ILE A 72 -14.340 18.809 -2.463 1.00 10.42 O +ATOM 628 CB ILE A 72 -12.862 19.401 -5.288 1.00 9.17 C +ATOM 629 CG1 ILE A 72 -14.178 18.758 -5.726 1.00 10.24 C +ATOM 630 CG2 ILE A 72 -11.730 19.236 -6.278 1.00 10.03 C +ATOM 631 CD1 ILE A 72 -14.637 19.192 -7.100 1.00 11.28 C +ATOM 632 N MET A 73 -13.136 20.706 -2.363 1.00 8.87 N +ATOM 633 CA MET A 73 -14.021 21.303 -1.352 1.00 11.91 C +ATOM 634 C MET A 73 -13.697 22.736 -1.150 1.00 10.52 C +ATOM 635 O MET A 73 -12.596 23.188 -1.310 1.00 11.77 O +ATOM 636 CB MET A 73 -13.948 20.566 -0.120 1.00 15.98 C +ATOM 637 CG MET A 73 -12.838 20.627 0.478 1.00 15.76 C +ATOM 638 SD MET A 73 -12.870 19.872 2.258 1.00 23.06 S +ATOM 639 CE MET A 73 -14.161 20.200 2.920 1.00 14.69 C +ATOM 640 N SER A 74 -14.733 23.483 -0.802 1.00 10.97 N +ATOM 641 CA SER A 74 -14.687 24.839 -0.253 1.00 12.02 C +ATOM 642 C SER A 74 -13.771 25.741 -1.019 1.00 11.44 C +ATOM 643 O SER A 74 -14.069 26.060 -2.164 1.00 11.43 O +ATOM 644 CB SER A 74 -14.458 24.789 1.272 1.00 13.16 C +ATOM 645 OG SER A 74 -13.213 24.319 1.611 1.00 14.16 O +ATOM 646 N ILE A 75 -12.675 26.153 -0.377 1.00 12.88 N +ATOM 647 CA ILE A 75 -11.698 27.013 -0.953 1.00 14.89 C +ATOM 648 C ILE A 75 -11.136 26.624 -2.173 1.00 11.73 C +ATOM 649 O ILE A 75 -10.653 27.463 -2.993 1.00 11.30 O +ATOM 650 CB ILE A 75 -10.355 27.170 0.205 1.00 16.49 C +ATOM 651 CG1 ILE A 75 -10.912 27.726 1.402 1.00 22.55 C +ATOM 652 CG2 ILE A 75 -9.312 27.932 -0.497 1.00 27.69 C +ATOM 653 CD1 ILE A 75 -12.249 28.923 1.005 1.00 23.05 C +ATOM 654 N GLY A 76 -11.104 25.361 -2.481 1.00 10.23 N +ATOM 655 CA GLY A 76 -10.609 24.863 -3.742 1.00 9.92 C +ATOM 656 C GLY A 76 -11.338 25.502 -4.929 1.00 8.72 C +ATOM 657 O GLY A 76 -10.759 25.737 -5.955 1.00 8.84 O +ATOM 658 N PHE A 77 -12.643 25.743 -4.726 1.00 9.16 N +ATOM 659 CA PHE A 77 -13.449 26.293 -5.795 1.00 8.81 C +ATOM 660 C PHE A 77 -13.086 27.700 -6.164 1.00 9.73 C +ATOM 661 O PHE A 77 -13.514 28.206 -7.217 1.00 9.97 O +ATOM 662 CB PHE A 77 -14.915 26.127 -5.452 1.00 10.34 C +ATOM 663 CG PHE A 77 -15.401 24.718 -5.481 1.00 9.65 C +ATOM 664 CD1 PHE A 77 -15.585 24.080 -6.677 1.00 10.90 C +ATOM 665 CD2 PHE A 77 -15.696 24.038 -4.366 1.00 10.31 C +ATOM 666 CE1 PHE A 77 -16.029 22.789 -6.736 1.00 12.05 C +ATOM 667 CE2 PHE A 77 -16.094 22.748 -4.415 1.00 11.20 C +ATOM 668 CZ PHE A 77 -16.279 22.078 -5.576 1.00 12.00 C +ATOM 669 N ASP A 78 -12.265 28.373 -5.375 1.00 9.68 N +ATOM 670 CA ASP A 78 -11.690 29.668 -5.763 1.00 9.91 C +ATOM 671 C ASP A 78 -10.845 29.561 -7.014 1.00 9.68 C +ATOM 672 O ASP A 78 -10.643 30.557 -7.729 1.00 10.40 O +ATOM 673 CB ASP A 78 -10.992 30.345 -4.623 1.00 11.66 C +ATOM 674 CG ASP A 78 -11.910 30.804 -3.485 1.00 13.02 C +ATOM 675 OD1 ASP A 78 -13.150 30.844 -3.657 1.00 17.76 O +ATOM 676 OD2 ASP A 78 -11.385 31.169 -2.455 1.00 19.83 O +ATOM 677 N HIS A 79 -10.380 28.376 -7.346 1.00 8.76 N +ATOM 678 CA HIS A 79 -9.665 28.199 -8.635 1.00 8.82 C +ATOM 679 C HIS A 79 -10.612 28.425 -9.816 1.00 8.47 C +ATOM 680 O HIS A 79 -10.149 28.566 -10.952 1.00 10.18 O +ATOM 681 CB HIS A 79 -9.125 26.739 -8.777 1.00 9.02 C +ATOM 682 CG HIS A 79 -7.939 26.413 -7.946 1.00 8.67 C +ATOM 683 ND1 HIS A 79 -8.040 25.846 -6.692 1.00 8.36 N +ATOM 684 CD2 HIS A 79 -6.613 26.578 -8.168 1.00 9.46 C +ATOM 685 CE1 HIS A 79 -6.785 25.642 -6.239 1.00 8.98 C +ATOM 686 NE2 HIS A 79 -5.921 26.100 -7.105 1.00 9.58 N +ATOM 687 N MET A 80 -11.880 28.394 -9.606 1.00 8.17 N +ATOM 688 CA AMET A 80 -12.867 28.565 -10.701 0.50 8.39 C +ATOM 689 CA BMET A 80 -12.892 28.558 -10.684 0.50 8.88 C +ATOM 690 C MET A 80 -13.050 30.030 -11.052 1.00 8.55 C +ATOM 691 O MET A 80 -13.686 30.333 -12.046 1.00 8.76 O +ATOM 692 CB AMET A 80 -14.209 27.973 -10.311 0.50 9.33 C +ATOM 693 CB BMET A 80 -14.272 28.029 -10.248 0.50 11.14 C +ATOM 694 CG AMET A 80 -14.250 26.504 -9.970 0.50 8.83 C +ATOM 695 CG BMET A 80 -14.405 26.633 -9.603 0.50 13.21 C +ATOM 696 SD AMET A 80 -13.959 25.385 -11.203 0.50 6.17 S +ATOM 697 SD BMET A 80 -14.710 25.263 -10.526 0.50 13.99 S +ATOM 698 CE AMET A 80 -15.445 25.592 -12.232 0.50 6.71 C +ATOM 699 CE BMET A 80 -15.802 25.694 -11.897 0.50 13.66 C +ATOM 700 N GLU A 81 -12.534 30.962 -10.239 1.00 8.46 N +ATOM 701 CA GLU A 81 -12.868 32.371 -10.393 1.00 10.39 C +ATOM 702 C GLU A 81 -12.485 32.936 -11.725 1.00 10.25 C +ATOM 703 O GLU A 81 -13.211 33.830 -12.240 1.00 10.97 O +ATOM 704 CB GLU A 81 -12.155 33.132 -9.259 1.00 11.91 C +ATOM 705 CG GLU A 81 -12.779 34.560 -9.083 1.00 17.43 C +ATOM 706 CD GLU A 81 -12.209 35.525 -9.991 1.00 17.27 C +ATOM 707 OE1 GLU A 81 -11.015 35.370 -10.412 1.00 19.01 O +ATOM 708 OE2 GLU A 81 -12.936 36.540 -10.396 1.00 19.05 O +ATOM 709 N GLY A 82 -11.396 32.535 -12.288 1.00 10.06 N +ATOM 710 CA GLY A 82 -10.873 33.110 -13.579 1.00 10.79 C +ATOM 711 C GLY A 82 -11.275 32.372 -14.818 1.00 8.88 C +ATOM 712 O GLY A 82 -10.850 32.703 -15.900 1.00 10.24 O +ATOM 713 N LEU A 83 -12.081 31.326 -14.718 1.00 8.54 N +ATOM 714 CA LEU A 83 -12.433 30.477 -15.848 1.00 7.79 C +ATOM 715 C LEU A 83 -13.616 31.048 -16.588 1.00 7.54 C +ATOM 716 O LEU A 83 -14.655 31.370 -16.013 1.00 8.17 O +ATOM 717 CB LEU A 83 -12.805 29.083 -15.345 1.00 7.91 C +ATOM 718 CG LEU A 83 -11.757 28.363 -14.500 1.00 7.74 C +ATOM 719 CD1 LEU A 83 -12.228 26.977 -14.120 1.00 9.05 C +ATOM 720 CD2 LEU A 83 -10.419 28.263 -15.214 1.00 9.37 C +ATOM 721 N GLN A 84 -13.480 31.200 -17.917 1.00 7.56 N +ATOM 722 CA GLN A 84 -14.484 31.895 -18.701 1.00 8.27 C +ATOM 723 C GLN A 84 -15.407 31.010 -19.501 1.00 7.34 C +ATOM 724 O GLN A 84 -16.432 31.495 -19.977 1.00 8.54 O +ATOM 725 CB GLN A 84 -13.774 32.888 -19.683 1.00 8.64 C +ATOM 726 CG GLN A 84 -12.790 33.834 -18.998 1.00 10.06 C +ATOM 727 CD GLN A 84 -13.431 34.663 -17.967 1.00 10.42 C +ATOM 728 OE1 GLN A 84 -14.464 35.294 -18.197 1.00 13.00 O +ATOM 729 NE2 GLN A 84 -12.859 34.705 -16.766 1.00 12.13 N +ATOM 730 N TYR A 85 -15.035 29.755 -19.687 1.00 7.23 N +ATOM 731 CA TYR A 85 -15.721 28.923 -20.679 1.00 7.73 C +ATOM 732 C TYR A 85 -16.259 27.606 -20.165 1.00 7.09 C +ATOM 733 O TYR A 85 -16.515 26.698 -20.943 1.00 7.50 O +ATOM 734 CB TYR A 85 -14.815 28.706 -21.883 1.00 8.93 C +ATOM 735 CG TYR A 85 -14.112 29.974 -22.388 1.00 8.89 C +ATOM 736 CD1 TYR A 85 -14.775 30.923 -23.170 1.00 9.85 C +ATOM 737 CD2 TYR A 85 -12.812 30.199 -22.080 1.00 8.85 C +ATOM 738 CE1 TYR A 85 -14.129 32.029 -23.651 1.00 10.42 C +ATOM 739 CE2 TYR A 85 -12.121 31.349 -22.565 1.00 9.02 C +ATOM 740 CZ TYR A 85 -12.803 32.228 -23.355 1.00 8.64 C +ATOM 741 OH TYR A 85 -12.171 33.346 -23.865 1.00 9.43 O +ATOM 742 N VAL A 86 -16.420 27.479 -18.859 1.00 7.21 N +ATOM 743 CA VAL A 86 -16.893 26.205 -18.264 1.00 6.60 C +ATOM 744 C VAL A 86 -18.367 26.040 -18.533 1.00 7.08 C +ATOM 745 O VAL A 86 -19.184 26.838 -18.080 1.00 8.08 O +ATOM 746 CB VAL A 86 -16.575 26.099 -16.788 1.00 7.08 C +ATOM 747 CG1 VAL A 86 -17.075 24.793 -16.250 1.00 8.46 C +ATOM 748 CG2 VAL A 86 -15.096 26.270 -16.553 1.00 8.88 C +ATOM 749 N GLU A 87 -18.731 24.951 -19.215 1.00 6.95 N +ATOM 750 CA GLU A 87 -20.113 24.698 -19.609 1.00 7.26 C +ATOM 751 C GLU A 87 -20.777 23.547 -18.878 1.00 7.55 C +ATOM 752 O GLU A 87 -21.985 23.512 -18.767 1.00 7.65 O +ATOM 753 CB GLU A 87 -20.200 24.492 -21.110 1.00 8.36 C +ATOM 754 CG GLU A 87 -19.819 25.757 -21.866 1.00 9.06 C +ATOM 755 CD GLU A 87 -19.820 25.601 -23.324 1.00 10.94 C +ATOM 756 OE1 GLU A 87 -19.851 24.530 -23.893 1.00 11.25 O +ATOM 757 OE2 GLU A 87 -19.532 26.621 -23.968 1.00 17.21 O +ATOM 758 N LYS A 88 -19.966 22.570 -18.445 1.00 6.92 N +ATOM 759 CA LYS A 88 -20.454 21.334 -17.865 1.00 7.42 C +ATOM 760 C LYS A 88 -19.682 21.009 -16.612 1.00 7.44 C +ATOM 761 O LYS A 88 -18.455 21.008 -16.634 1.00 7.59 O +ATOM 762 CB LYS A 88 -20.270 20.141 -18.831 1.00 8.16 C +ATOM 763 CG LYS A 88 -21.036 20.250 -20.143 1.00 9.28 C +ATOM 764 CD LYS A 88 -20.675 19.106 -21.081 1.00 9.99 C +ATOM 765 CE LYS A 88 -21.638 18.874 -22.188 1.00 11.51 C +ATOM 766 NZ LYS A 88 -21.133 17.938 -23.265 1.00 11.48 N +ATOM 767 N ILE A 89 -20.389 20.732 -15.511 1.00 7.13 N +ATOM 768 CA ILE A 89 -19.764 20.228 -14.270 1.00 7.30 C +ATOM 769 C ILE A 89 -20.546 19.057 -13.775 1.00 6.96 C +ATOM 770 O ILE A 89 -21.746 19.107 -13.590 1.00 8.09 O +ATOM 771 CB ILE A 89 -19.748 21.342 -13.197 1.00 7.38 C +ATOM 772 CG1 ILE A 89 -18.936 22.550 -13.645 1.00 8.05 C +ATOM 773 CG2 ILE A 89 -19.143 20.761 -11.888 1.00 8.91 C +ATOM 774 CD1 ILE A 89 -18.965 23.737 -12.648 1.00 9.07 C +ATOM 775 N AARG A 90 -19.818 17.964 -13.499 0.50 6.69 N +ATOM 776 N BARG A 90 -19.809 17.973 -13.492 0.50 6.85 N +ATOM 777 CA AARG A 90 -20.332 16.798 -12.778 0.50 7.29 C +ATOM 778 CA BARG A 90 -20.313 16.801 -12.777 0.50 7.45 C +ATOM 779 C AARG A 90 -19.602 16.665 -11.484 0.50 6.66 C +ATOM 780 C BARG A 90 -19.595 16.676 -11.477 0.50 6.76 C +ATOM 781 O AARG A 90 -18.369 16.619 -11.466 0.50 7.35 O +ATOM 782 O BARG A 90 -18.362 16.649 -11.447 0.50 7.57 O +ATOM 783 CB AARG A 90 -20.135 15.571 -13.649 0.50 8.03 C +ATOM 784 CB BARG A 90 -20.069 15.579 -13.640 0.50 8.30 C +ATOM 785 CG AARG A 90 -20.354 14.287 -12.907 0.50 9.14 C +ATOM 786 CG BARG A 90 -20.677 14.335 -13.062 0.50 10.29 C +ATOM 787 CD AARG A 90 -20.149 13.184 -13.968 0.50 10.95 C +ATOM 788 CD BARG A 90 -20.654 13.285 -14.257 0.50 13.00 C +ATOM 789 NE AARG A 90 -20.688 11.978 -13.561 0.50 15.54 N +ATOM 790 NE BARG A 90 -21.374 12.189 -13.906 0.50 11.50 N +ATOM 791 CZ AARG A 90 -21.966 11.408 -13.899 0.50 12.68 C +ATOM 792 CZ BARG A 90 -20.761 11.032 -13.325 0.50 10.00 C +ATOM 793 NH1AARG A 90 -23.046 12.127 -14.391 0.50 18.97 N +ATOM 794 NH1BARG A 90 -19.517 11.239 -13.139 0.50 15.90 N +ATOM 795 NH2AARG A 90 -22.087 10.234 -13.501 0.50 13.45 N +ATOM 796 NH2BARG A 90 -21.351 10.003 -13.156 0.50 13.62 N +ATOM 797 N LEU A 91 -20.381 16.554 -10.420 1.00 7.27 N +ATOM 798 CA LEU A 91 -19.904 16.292 -9.060 1.00 7.37 C +ATOM 799 C LEU A 91 -20.526 14.982 -8.650 1.00 8.02 C +ATOM 800 O LEU A 91 -21.721 14.887 -8.475 1.00 8.52 O +ATOM 801 CB LEU A 91 -20.322 17.412 -8.095 1.00 7.91 C +ATOM 802 CG LEU A 91 -19.912 18.824 -8.508 1.00 7.87 C +ATOM 803 CD1 LEU A 91 -20.463 19.866 -7.510 1.00 11.31 C +ATOM 804 CD2 LEU A 91 -18.388 18.958 -8.680 1.00 9.88 C +ATOM 805 N CYS A 92 -19.704 13.945 -8.517 1.00 8.55 N +ATOM 806 CA CYS A 92 -20.188 12.586 -8.233 1.00 8.95 C +ATOM 807 C CYS A 92 -19.354 11.977 -7.124 1.00 8.30 C +ATOM 808 O CYS A 92 -18.141 11.888 -7.251 1.00 9.16 O +ATOM 809 CB CYS A 92 -20.141 11.755 -9.500 1.00 9.24 C +ATOM 810 SG CYS A 92 -20.692 10.032 -9.266 1.00 11.94 S +ATOM 811 N LYS A 93 -19.976 11.570 -6.025 1.00 8.90 N +ATOM 812 CA LYS A 93 -19.219 10.932 -4.948 1.00 10.10 C +ATOM 813 C LYS A 93 -18.088 11.855 -4.537 1.00 10.51 C +ATOM 814 O LYS A 93 -16.957 11.455 -4.297 1.00 11.60 O +ATOM 815 CB LYS A 93 -18.689 9.567 -5.346 1.00 10.95 C +ATOM 816 CG LYS A 93 -19.809 8.569 -5.531 1.00 13.59 C +ATOM 817 CD LYS A 93 -19.279 7.167 -6.036 1.00 15.85 C +ATOM 818 CE LYS A 93 -19.018 7.103 -7.479 1.00 20.95 C +ATOM 819 NZ LYS A 93 -18.735 5.707 -7.983 1.00 27.85 N +ATOM 820 N CYS A 94 -18.440 13.167 -4.376 1.00 9.98 N +ATOM 821 CA CYS A 94 -17.551 14.166 -3.805 1.00 10.49 C +ATOM 822 C CYS A 94 -17.960 14.352 -2.376 1.00 10.34 C +ATOM 823 O CYS A 94 -18.877 15.119 -2.016 1.00 11.90 O +ATOM 824 CB CYS A 94 -17.656 15.476 -4.593 1.00 10.60 C +ATOM 825 SG CYS A 94 -16.949 15.395 -6.253 1.00 11.25 S +ATOM 826 N HIS A 95 -17.329 13.560 -1.493 1.00 10.17 N +ATOM 827 CA HIS A 95 -17.807 13.376 -0.129 1.00 10.03 C +ATOM 828 C HIS A 95 -17.568 14.580 0.710 1.00 10.62 C +ATOM 829 O HIS A 95 -18.170 14.667 1.790 1.00 13.11 O +ATOM 830 CB HIS A 95 -17.213 12.123 0.488 1.00 13.01 C +ATOM 831 CG HIS A 95 -17.602 10.887 -0.319 1.00 13.74 C +ATOM 832 ND1 HIS A 95 -18.913 10.578 -0.661 1.00 15.74 N +ATOM 833 CD2 HIS A 95 -16.813 9.954 -0.898 1.00 15.89 C +ATOM 834 CE1 HIS A 95 -18.877 9.462 -1.374 1.00 18.24 C +ATOM 835 NE2 HIS A 95 -17.634 9.061 -1.522 1.00 17.84 N +ATOM 836 N TYR A 96 -16.736 15.521 0.343 1.00 9.17 N +ATOM 837 CA TYR A 96 -16.431 16.689 1.144 1.00 9.82 C +ATOM 838 C TYR A 96 -17.219 17.890 0.725 1.00 9.72 C +ATOM 839 O TYR A 96 -17.210 18.906 1.409 1.00 12.84 O +ATOM 840 CB TYR A 96 -14.929 17.016 1.054 1.00 11.70 C +ATOM 841 CG TYR A 96 -14.040 15.910 1.463 1.00 13.67 C +ATOM 842 CD1 TYR A 96 -13.694 15.860 2.731 1.00 24.72 C +ATOM 843 CD2 TYR A 96 -13.484 15.017 0.612 1.00 21.49 C +ATOM 844 CE1 TYR A 96 -12.896 14.773 3.220 1.00 26.55 C +ATOM 845 CE2 TYR A 96 -12.655 13.984 1.045 1.00 23.12 C +ATOM 846 CZ TYR A 96 -12.403 13.922 2.322 1.00 19.71 C +ATOM 847 OH TYR A 96 -11.552 12.846 2.818 1.00 27.09 O +ATOM 848 N ILE A 97 -17.916 17.882 -0.424 1.00 9.05 N +ATOM 849 CA AILE A 97 -18.729 19.005 -0.926 0.50 10.33 C +ATOM 850 CA BILE A 97 -18.618 19.102 -0.810 0.50 9.92 C +ATOM 851 C ILE A 97 -19.884 19.235 0.045 1.00 9.03 C +ATOM 852 O ILE A 97 -20.468 18.273 0.579 1.00 10.74 O +ATOM 853 CB AILE A 97 -19.261 18.739 -2.403 0.50 10.46 C +ATOM 854 CB BILE A 97 -18.939 19.245 -2.273 0.50 9.01 C +ATOM 855 CG1AILE A 97 -18.057 18.750 -3.355 0.50 11.94 C +ATOM 856 CG1BILE A 97 -20.009 18.272 -2.630 0.50 7.75 C +ATOM 857 CG2AILE A 97 -20.460 19.696 -2.905 0.50 13.58 C +ATOM 858 CG2BILE A 97 -17.634 19.082 -3.105 0.50 9.45 C +ATOM 859 CD1AILE A 97 -18.219 18.818 -4.773 0.50 16.62 C +ATOM 860 CD1BILE A 97 -20.601 18.596 -4.036 0.50 9.83 C +ATOM 861 N GLU A 98 -20.270 20.463 0.210 1.00 8.73 N +ATOM 862 CA GLU A 98 -21.401 20.843 1.019 1.00 9.05 C +ATOM 863 C GLU A 98 -22.133 21.988 0.333 1.00 8.90 C +ATOM 864 O GLU A 98 -21.699 22.535 -0.686 1.00 8.65 O +ATOM 865 CB GLU A 98 -20.949 21.212 2.417 1.00 14.08 C +ATOM 866 CG GLU A 98 -20.051 20.422 3.168 1.00 16.80 C +ATOM 867 CD GLU A 98 -19.587 20.979 4.460 1.00 17.77 C +ATOM 868 OE1 GLU A 98 -19.960 22.122 4.782 1.00 20.57 O +ATOM 869 OE2 GLU A 98 -18.792 20.294 5.149 1.00 21.19 O +ATOM 870 N ASP A 99 -23.221 22.417 0.946 1.00 8.27 N +ATOM 871 CA ASP A 99 -24.008 23.512 0.399 1.00 8.57 C +ATOM 872 C ASP A 99 -23.183 24.762 0.152 1.00 8.97 C +ATOM 873 O ASP A 99 -23.382 25.480 -0.823 1.00 9.55 O +ATOM 874 CB ASP A 99 -25.166 23.844 1.330 1.00 9.74 C +ATOM 875 CG ASP A 99 -26.242 22.815 1.363 1.00 9.98 C +ATOM 876 OD1 ASP A 99 -26.347 21.987 0.438 1.00 9.61 O +ATOM 877 OD2 ASP A 99 -27.035 22.848 2.379 1.00 11.58 O +ATOM 878 N GLY A 100 -22.265 25.055 1.066 1.00 9.23 N +ATOM 879 CA GLY A 100 -21.400 26.218 0.916 1.00 9.78 C +ATOM 880 C GLY A 100 -20.539 26.165 -0.327 1.00 9.70 C +ATOM 881 O GLY A 100 -20.245 27.215 -0.920 1.00 10.14 O +ATOM 882 N CYS A 101 -20.176 24.991 -0.788 1.00 9.42 N +ATOM 883 CA CYS A 101 -19.419 24.815 -2.021 1.00 9.24 C +ATOM 884 C CYS A 101 -20.274 25.241 -3.224 1.00 8.87 C +ATOM 885 O CYS A 101 -19.831 25.933 -4.131 1.00 9.14 O +ATOM 886 CB CYS A 101 -18.953 23.395 -2.190 1.00 9.28 C +ATOM 887 SG CYS A 101 -17.923 22.717 -0.835 1.00 10.17 S +ATOM 888 N LEU A 102 -21.516 24.753 -3.213 1.00 8.13 N +ATOM 889 CA LEU A 102 -22.459 25.106 -4.275 1.00 8.49 C +ATOM 890 C LEU A 102 -22.798 26.599 -4.270 1.00 8.57 C +ATOM 891 O LEU A 102 -22.911 27.208 -5.311 1.00 8.60 O +ATOM 892 CB LEU A 102 -23.710 24.238 -4.177 1.00 8.58 C +ATOM 893 CG LEU A 102 -23.464 22.728 -4.313 1.00 8.48 C +ATOM 894 CD1 LEU A 102 -24.808 21.973 -4.196 1.00 10.56 C +ATOM 895 CD2 LEU A 102 -22.777 22.353 -5.594 1.00 10.73 C +ATOM 896 N GLU A 103 -22.926 27.157 -3.078 1.00 8.76 N +ATOM 897 CA GLU A 103 -23.160 28.593 -2.936 1.00 9.43 C +ATOM 898 C GLU A 103 -22.002 29.385 -3.524 1.00 8.92 C +ATOM 899 O GLU A 103 -22.238 30.314 -4.301 1.00 9.57 O +ATOM 900 CB GLU A 103 -23.424 28.934 -1.503 1.00 9.72 C +ATOM 901 CG GLU A 103 -24.705 28.480 -1.011 1.00 11.42 C +ATOM 902 CD GLU A 103 -24.834 28.468 0.559 1.00 15.85 C +ATOM 903 OE1 GLU A 103 -23.872 28.639 1.245 1.00 15.09 O +ATOM 904 OE2 GLU A 103 -25.992 28.273 0.957 1.00 26.17 O +ATOM 905 N AARG A 104 -20.795 29.015 -3.194 0.50 9.86 N +ATOM 906 N BARG A 104 -20.790 29.042 -3.208 0.50 9.82 N +ATOM 907 CA AARG A 104 -19.572 29.644 -3.697 0.50 11.14 C +ATOM 908 CA BARG A 104 -19.657 29.792 -3.720 0.50 10.37 C +ATOM 909 C AARG A 104 -19.562 29.631 -5.185 0.50 10.10 C +ATOM 910 C BARG A 104 -19.532 29.642 -5.206 0.50 10.19 C +ATOM 911 O AARG A 104 -19.361 30.656 -5.856 0.50 10.96 O +ATOM 912 O BARG A 104 -19.215 30.608 -5.907 0.50 10.97 O +ATOM 913 CB AARG A 104 -18.262 28.770 -3.148 0.50 12.56 C +ATOM 914 CB BARG A 104 -18.346 29.239 -3.023 0.50 13.26 C +ATOM 915 CG AARG A 104 -16.923 29.439 -3.511 0.50 13.18 C +ATOM 916 CG BARG A 104 -17.014 29.832 -3.493 0.50 17.75 C +ATOM 917 CD AARG A 104 -15.764 28.833 -2.685 0.50 12.23 C +ATOM 918 CD BARG A 104 -15.794 29.043 -3.124 0.50 20.51 C +ATOM 919 NE AARG A 104 -15.871 29.173 -1.328 0.50 15.42 N +ATOM 920 NE BARG A 104 -15.823 28.671 -1.761 0.50 18.68 N +ATOM 921 CZ AARG A 104 -15.521 30.270 -0.704 0.50 13.19 C +ATOM 922 CZ BARG A 104 -14.969 29.119 -0.822 0.50 16.23 C +ATOM 923 NH1AARG A 104 -14.913 31.204 -1.305 0.50 15.26 N +ATOM 924 NH1BARG A 104 -15.063 28.657 0.407 0.50 18.58 N +ATOM 925 NH2AARG A 104 -15.795 30.392 0.533 0.50 17.91 N +ATOM 926 NH2BARG A 104 -14.109 29.980 -1.135 0.50 18.98 N +ATOM 927 N LEU A 105 -19.853 28.480 -5.789 1.00 9.90 N +ATOM 928 CA LEU A 105 -19.893 28.353 -7.249 1.00 9.23 C +ATOM 929 C LEU A 105 -20.942 29.223 -7.862 1.00 8.87 C +ATOM 930 O LEU A 105 -20.720 29.893 -8.874 1.00 9.37 O +ATOM 931 CB LEU A 105 -20.193 26.899 -7.586 1.00 9.99 C +ATOM 932 CG LEU A 105 -19.036 25.885 -7.469 1.00 10.87 C +ATOM 933 CD1 LEU A 105 -19.579 24.480 -7.644 1.00 12.29 C +ATOM 934 CD2 LEU A 105 -17.931 26.180 -8.523 1.00 13.55 C +ATOM 935 N SER A 106 -22.132 29.243 -7.238 1.00 9.16 N +ATOM 936 CA SER A 106 -23.280 29.964 -7.795 1.00 9.50 C +ATOM 937 C SER A 106 -23.050 31.450 -7.880 1.00 9.62 C +ATOM 938 O SER A 106 -23.701 32.116 -8.690 1.00 10.10 O +ATOM 939 CB SER A 106 -24.515 29.676 -6.977 1.00 9.53 C +ATOM 940 OG SER A 106 -24.515 30.367 -5.734 1.00 10.35 O +ATOM 941 N GLN A 107 -22.170 31.992 -7.021 1.00 8.83 N +ATOM 942 CA GLN A 107 -21.877 33.423 -6.957 1.00 9.42 C +ATOM 943 C GLN A 107 -20.788 33.864 -7.880 1.00 9.26 C +ATOM 944 O GLN A 107 -20.497 35.065 -7.970 1.00 10.36 O +ATOM 945 CB GLN A 107 -21.536 33.753 -5.483 1.00 11.27 C +ATOM 946 CG GLN A 107 -22.720 33.698 -4.583 1.00 12.36 C +ATOM 947 CD GLN A 107 -23.691 34.727 -4.875 1.00 14.32 C +ATOM 948 OE1 GLN A 107 -24.952 34.458 -4.853 1.00 17.37 O +ATOM 949 NE2 GLN A 107 -23.272 35.919 -5.069 1.00 13.73 N +ATOM 950 N LEU A 108 -20.150 32.949 -8.620 1.00 8.55 N +ATOM 951 CA LEU A 108 -19.144 33.323 -9.576 1.00 8.57 C +ATOM 952 C LEU A 108 -19.791 33.745 -10.874 1.00 8.17 C +ATOM 953 O LEU A 108 -20.395 32.925 -11.601 1.00 8.02 O +ATOM 954 CB LEU A 108 -18.168 32.159 -9.813 1.00 9.56 C +ATOM 955 CG LEU A 108 -17.263 31.801 -8.622 1.00 10.34 C +ATOM 956 CD1 LEU A 108 -16.463 30.592 -8.924 1.00 11.26 C +ATOM 957 CD2 LEU A 108 -16.353 33.056 -8.315 1.00 15.76 C +ATOM 958 N GLU A 109 -19.738 35.066 -11.206 1.00 8.21 N +ATOM 959 CA GLU A 109 -20.451 35.569 -12.376 1.00 8.76 C +ATOM 960 C GLU A 109 -19.960 34.969 -13.647 1.00 7.93 C +ATOM 961 O GLU A 109 -20.720 34.760 -14.599 1.00 8.79 O +ATOM 962 CB GLU A 109 -20.380 37.105 -12.468 1.00 9.31 C +ATOM 963 CG GLU A 109 -21.110 37.770 -11.337 1.00 9.29 C +ATOM 964 CD GLU A 109 -21.352 39.231 -11.625 1.00 11.22 C +ATOM 965 OE1 GLU A 109 -20.365 39.954 -11.970 1.00 11.10 O +ATOM 966 OE2 GLU A 109 -22.477 39.692 -11.485 1.00 13.30 O +ATOM 967 N ASN A 110 -18.669 34.603 -13.683 1.00 7.91 N +ATOM 968 CA ASN A 110 -18.083 33.920 -14.838 1.00 8.31 C +ATOM 969 C ASN A 110 -18.795 32.603 -15.100 1.00 8.17 C +ATOM 970 O ASN A 110 -19.010 32.218 -16.245 1.00 9.06 O +ATOM 971 CB ASN A 110 -16.586 33.811 -14.684 1.00 8.96 C +ATOM 972 CG ASN A 110 -16.163 33.120 -13.373 1.00 9.16 C +ATOM 973 OD1 ASN A 110 -16.486 33.680 -12.296 1.00 9.92 O +ATOM 974 ND2 ASN A 110 -15.482 32.018 -13.448 1.00 9.23 N +ATOM 975 N LEU A 111 -19.089 31.854 -14.039 1.00 7.62 N +ATOM 976 CA LEU A 111 -19.835 30.579 -14.195 1.00 7.42 C +ATOM 977 C LEU A 111 -21.246 30.821 -14.505 1.00 7.70 C +ATOM 978 O LEU A 111 -21.872 30.081 -15.277 1.00 8.23 O +ATOM 979 CB LEU A 111 -19.662 29.722 -12.944 1.00 8.00 C +ATOM 980 CG LEU A 111 -18.281 29.217 -12.595 1.00 8.23 C +ATOM 981 CD1 LEU A 111 -18.365 28.316 -11.393 1.00 9.71 C +ATOM 982 CD2 LEU A 111 -17.651 28.458 -13.768 1.00 11.78 C +ATOM 983 N GLN A 112 -21.887 31.862 -13.908 1.00 7.46 N +ATOM 984 CA GLN A 112 -23.287 32.153 -14.243 1.00 7.76 C +ATOM 985 C GLN A 112 -23.417 32.387 -15.757 1.00 8.44 C +ATOM 986 O GLN A 112 -24.395 31.969 -16.353 1.00 8.26 O +ATOM 987 CB GLN A 112 -23.741 33.435 -13.525 1.00 8.17 C +ATOM 988 CG GLN A 112 -23.777 33.305 -12.008 1.00 8.39 C +ATOM 989 CD GLN A 112 -24.043 34.620 -11.301 1.00 8.47 C +ATOM 990 OE1 GLN A 112 -24.099 34.615 -10.037 1.00 11.58 O +ATOM 991 NE2 GLN A 112 -24.220 35.620 -12.017 1.00 7.15 N +ATOM 992 N LYS A 113 -22.426 33.058 -16.344 1.00 7.42 N +ATOM 993 CA LYS A 113 -22.496 33.377 -17.808 1.00 9.42 C +ATOM 994 C LYS A 113 -22.351 32.178 -18.640 1.00 9.73 C +ATOM 995 O LYS A 113 -22.949 32.114 -19.719 1.00 12.47 O +ATOM 996 CB LYS A 113 -21.407 34.413 -18.122 1.00 8.66 C +ATOM 997 CG LYS A 113 -21.688 35.750 -17.525 1.00 10.02 C +ATOM 998 CD LYS A 113 -20.370 36.567 -17.398 1.00 10.05 C +ATOM 999 CE LYS A 113 -20.581 37.892 -16.699 1.00 11.17 C +ATOM 1000 NZ LYS A 113 -19.354 38.606 -16.565 1.00 10.63 N +ATOM 1001 N SER A 114 -21.506 31.195 -18.289 1.00 8.59 N +ATOM 1002 CA SER A 114 -21.132 30.090 -19.150 1.00 8.96 C +ATOM 1003 C SER A 114 -21.865 28.782 -18.895 1.00 8.79 C +ATOM 1004 O SER A 114 -21.952 27.944 -19.833 1.00 8.89 O +ATOM 1005 CB SER A 114 -19.655 29.876 -19.079 1.00 10.35 C +ATOM 1006 OG SER A 114 -19.250 29.472 -17.785 1.00 10.13 O +ATOM 1007 N MET A 115 -22.325 28.521 -17.699 1.00 7.69 N +ATOM 1008 CA MET A 115 -22.747 27.197 -17.348 1.00 7.93 C +ATOM 1009 C MET A 115 -24.018 26.797 -18.027 1.00 7.78 C +ATOM 1010 O MET A 115 -25.054 27.491 -17.997 1.00 8.68 O +ATOM 1011 CB MET A 115 -22.946 27.116 -15.824 1.00 8.57 C +ATOM 1012 CG MET A 115 -21.660 26.851 -15.084 1.00 8.80 C +ATOM 1013 SD MET A 115 -20.974 25.187 -15.373 1.00 8.60 S +ATOM 1014 CE MET A 115 -22.229 24.198 -14.586 1.00 10.23 C +ATOM 1015 N LEU A 116 -23.997 25.586 -18.600 1.00 7.92 N +ATOM 1016 CA LEU A 116 -25.106 24.976 -19.326 1.00 8.54 C +ATOM 1017 C LEU A 116 -25.643 23.726 -18.711 1.00 8.19 C +ATOM 1018 O LEU A 116 -26.819 23.414 -18.832 1.00 9.19 O +ATOM 1019 CB LEU A 116 -24.731 24.656 -20.786 1.00 8.89 C +ATOM 1020 CG LEU A 116 -24.168 25.877 -21.574 1.00 10.13 C +ATOM 1021 CD1 LEU A 116 -23.766 25.372 -22.977 1.00 12.00 C +ATOM 1022 CD2 LEU A 116 -25.232 26.979 -21.650 1.00 11.93 C +ATOM 1023 N GLU A 117 -24.793 22.921 -18.087 1.00 8.37 N +ATOM 1024 CA AGLU A 117 -25.173 21.593 -17.599 0.50 8.01 C +ATOM 1025 CA BGLU A 117 -25.207 21.604 -17.570 0.50 7.92 C +ATOM 1026 C GLU A 117 -24.474 21.314 -16.293 1.00 7.55 C +ATOM 1027 O GLU A 117 -23.264 21.503 -16.146 1.00 8.01 O +ATOM 1028 CB AGLU A 117 -24.707 20.562 -18.650 0.50 9.59 C +ATOM 1029 CB BGLU A 117 -24.881 20.481 -18.564 0.50 9.12 C +ATOM 1030 CG AGLU A 117 -24.673 19.168 -18.225 0.50 10.44 C +ATOM 1031 CG BGLU A 117 -25.365 20.774 -20.009 0.50 8.92 C +ATOM 1032 CD AGLU A 117 -24.076 18.191 -19.256 0.50 12.17 C +ATOM 1033 CD BGLU A 117 -25.325 19.603 -20.937 0.50 10.07 C +ATOM 1034 OE1AGLU A 117 -24.589 18.228 -20.406 0.50 13.14 O +ATOM 1035 OE1BGLU A 117 -24.986 18.521 -20.520 0.50 11.40 O +ATOM 1036 OE2AGLU A 117 -23.180 17.427 -18.889 0.50 7.20 O +ATOM 1037 OE2BGLU A 117 -25.769 19.814 -22.064 0.50 13.02 O +ATOM 1038 N MET A 118 -25.244 20.814 -15.328 1.00 7.55 N +ATOM 1039 CA MET A 118 -24.674 20.391 -14.040 1.00 7.51 C +ATOM 1040 C MET A 118 -25.298 19.108 -13.605 1.00 7.68 C +ATOM 1041 O MET A 118 -26.472 18.854 -13.789 1.00 8.25 O +ATOM 1042 CB MET A 118 -24.842 21.489 -13.045 1.00 9.25 C +ATOM 1043 CG MET A 118 -23.934 21.258 -11.803 1.00 13.66 C +ATOM 1044 SD MET A 118 -23.781 22.728 -10.858 1.00 13.71 S +ATOM 1045 CE MET A 118 -22.601 22.145 -9.627 1.00 14.39 C +ATOM 1046 N GLU A 119 -24.464 18.270 -12.950 1.00 7.13 N +ATOM 1047 CA GLU A 119 -24.881 16.969 -12.450 1.00 7.10 C +ATOM 1048 C GLU A 119 -24.303 16.835 -11.042 1.00 7.00 C +ATOM 1049 O GLU A 119 -23.114 17.070 -10.843 1.00 7.78 O +ATOM 1050 CB GLU A 119 -24.351 15.882 -13.331 1.00 8.08 C +ATOM 1051 CG GLU A 119 -24.722 15.991 -14.823 1.00 8.90 C +ATOM 1052 CD GLU A 119 -24.074 14.911 -15.589 1.00 10.28 C +ATOM 1053 OE1 GLU A 119 -22.872 14.902 -15.799 1.00 11.11 O +ATOM 1054 OE2 GLU A 119 -24.746 13.936 -15.905 1.00 15.90 O +ATOM 1055 N ILE A 120 -25.160 16.451 -10.098 1.00 7.39 N +ATOM 1056 CA ILE A 120 -24.746 16.284 -8.706 1.00 7.74 C +ATOM 1057 C ILE A 120 -25.300 14.962 -8.231 1.00 7.69 C +ATOM 1058 O ILE A 120 -26.527 14.772 -8.174 1.00 8.15 O +ATOM 1059 CB ILE A 120 -25.218 17.429 -7.820 1.00 8.16 C +ATOM 1060 CG1 ILE A 120 -24.820 18.773 -8.360 1.00 9.13 C +ATOM 1061 CG2 ILE A 120 -24.658 17.227 -6.388 1.00 10.72 C +ATOM 1062 CD1 ILE A 120 -25.347 19.947 -7.640 1.00 11.27 C +ATOM 1063 N ILE A 121 -24.386 14.017 -7.955 1.00 7.59 N +ATOM 1064 CA ILE A 121 -24.741 12.604 -7.760 1.00 8.41 C +ATOM 1065 C ILE A 121 -24.020 12.079 -6.536 1.00 8.01 C +ATOM 1066 O ILE A 121 -22.776 12.159 -6.444 1.00 8.62 O +ATOM 1067 CB ILE A 121 -24.316 11.771 -8.982 1.00 8.88 C +ATOM 1068 CG1 ILE A 121 -24.919 12.321 -10.285 1.00 10.83 C +ATOM 1069 CG2 ILE A 121 -24.668 10.291 -8.756 1.00 11.58 C +ATOM 1070 CD1 ILE A 121 -24.076 12.200 -11.431 1.00 17.77 C +ATOM 1071 N SER A 122 -24.772 11.568 -5.573 1.00 8.48 N +ATOM 1072 CA SER A 122 -24.124 10.858 -4.455 1.00 8.63 C +ATOM 1073 C SER A 122 -23.118 11.697 -3.711 1.00 9.04 C +ATOM 1074 O SER A 122 -22.062 11.253 -3.339 1.00 9.66 O +ATOM 1075 CB SER A 122 -23.518 9.523 -4.907 1.00 10.01 C +ATOM 1076 OG SER A 122 -24.484 8.661 -5.493 1.00 11.02 O +ATOM 1077 N CYS A 123 -23.487 12.961 -3.468 1.00 8.65 N +ATOM 1078 CA CYS A 123 -22.730 13.899 -2.634 1.00 8.84 C +ATOM 1079 C CYS A 123 -23.572 14.065 -1.384 1.00 9.90 C +ATOM 1080 O CYS A 123 -24.536 14.847 -1.350 1.00 10.24 O +ATOM 1081 CB CYS A 123 -22.522 15.201 -3.324 1.00 9.08 C +ATOM 1082 SG CYS A 123 -21.454 15.054 -4.835 1.00 9.55 S +ATOM 1083 N GLY A 124 -23.295 13.275 -0.357 1.00 9.23 N +ATOM 1084 CA GLY A 124 -24.205 13.080 0.743 1.00 10.63 C +ATOM 1085 C GLY A 124 -24.524 14.263 1.587 1.00 9.37 C +ATOM 1086 O GLY A 124 -25.558 14.267 2.233 1.00 11.10 O +ATOM 1087 N ASN A 125 -23.692 15.305 1.617 1.00 8.35 N +ATOM 1088 CA ASN A 125 -23.984 16.458 2.438 1.00 8.49 C +ATOM 1089 C ASN A 125 -24.942 17.435 1.792 1.00 8.36 C +ATOM 1090 O ASN A 125 -25.509 18.296 2.482 1.00 9.28 O +ATOM 1091 CB ASN A 125 -22.734 17.235 2.764 1.00 8.25 C +ATOM 1092 CG ASN A 125 -21.777 16.580 3.614 1.00 10.13 C +ATOM 1093 OD1 ASN A 125 -20.510 16.657 3.307 1.00 12.81 O +ATOM 1094 ND2 ASN A 125 -22.168 15.949 4.651 1.00 8.48 N +ATOM 1095 N VAL A 126 -25.150 17.372 0.461 1.00 8.33 N +ATOM 1096 CA VAL A 126 -25.891 18.437 -0.198 1.00 8.45 C +ATOM 1097 C VAL A 126 -27.332 18.409 0.225 1.00 8.86 C +ATOM 1098 O VAL A 126 -27.981 17.381 0.287 1.00 9.48 O +ATOM 1099 CB VAL A 126 -25.754 18.226 -1.756 1.00 8.38 C +ATOM 1100 CG1 VAL A 126 -26.724 19.158 -2.490 1.00 10.30 C +ATOM 1101 CG2 VAL A 126 -24.278 18.478 -2.171 1.00 9.22 C +ATOM 1102 N THR A 127 -27.849 19.597 0.484 1.00 9.50 N +ATOM 1103 CA THR A 127 -29.248 19.745 0.864 1.00 10.16 C +ATOM 1104 C THR A 127 -29.974 20.657 -0.118 1.00 10.12 C +ATOM 1105 O THR A 127 -29.418 21.213 -1.058 1.00 9.90 O +ATOM 1106 CB THR A 127 -29.423 20.288 2.310 1.00 10.77 C +ATOM 1107 OG1 THR A 127 -29.379 21.747 2.293 1.00 10.81 O +ATOM 1108 CG2 THR A 127 -28.459 19.694 3.273 1.00 12.51 C +ATOM 1109 N ASP A 128 -31.266 20.840 0.155 1.00 10.62 N +ATOM 1110 CA ASP A 128 -32.095 21.732 -0.661 1.00 10.85 C +ATOM 1111 C ASP A 128 -31.468 23.094 -0.763 1.00 11.29 C +ATOM 1112 O ASP A 128 -31.625 23.744 -1.845 1.00 11.76 O +ATOM 1113 CB ASP A 128 -33.543 21.815 -0.048 1.00 12.71 C +ATOM 1114 CG ASP A 128 -34.182 20.485 0.202 1.00 13.14 C +ATOM 1115 OD1 ASP A 128 -33.762 19.781 1.185 1.00 14.29 O +ATOM 1116 OD2 ASP A 128 -34.995 20.077 -0.583 1.00 15.76 O +ATOM 1117 N LYS A 129 -30.837 23.589 0.262 1.00 10.48 N +ATOM 1118 CA LYS A 129 -30.231 24.897 0.234 1.00 11.75 C +ATOM 1119 C LYS A 129 -29.174 25.026 -0.842 1.00 11.30 C +ATOM 1120 O LYS A 129 -29.103 26.012 -1.568 1.00 11.53 O +ATOM 1121 CB LYS A 129 -29.626 25.254 1.606 1.00 13.03 C +ATOM 1122 CG LYS A 129 -29.058 26.581 1.790 1.00 19.98 C +ATOM 1123 CD LYS A 129 -28.528 26.766 3.306 1.00 24.53 C +ATOM 1124 CE LYS A 129 -27.672 28.083 3.475 1.00 35.25 C +ATOM 1125 NZ LYS A 129 -28.410 29.386 4.063 1.00 44.05 N +ATOM 1126 N GLY A 130 -28.299 24.046 -0.938 1.00 9.96 N +ATOM 1127 CA GLY A 130 -27.264 24.088 -1.941 1.00 9.71 C +ATOM 1128 C GLY A 130 -27.810 24.012 -3.362 1.00 8.89 C +ATOM 1129 O GLY A 130 -27.341 24.671 -4.263 1.00 10.06 O +ATOM 1130 N ILE A 131 -28.814 23.174 -3.507 1.00 9.18 N +ATOM 1131 CA ILE A 131 -29.456 23.035 -4.843 1.00 9.71 C +ATOM 1132 C ILE A 131 -30.076 24.359 -5.267 1.00 9.39 C +ATOM 1133 O ILE A 131 -29.943 24.787 -6.383 1.00 10.54 O +ATOM 1134 CB ILE A 131 -30.443 21.866 -4.843 1.00 10.47 C +ATOM 1135 CG1 ILE A 131 -29.744 20.511 -4.568 1.00 10.28 C +ATOM 1136 CG2 ILE A 131 -31.219 21.821 -6.203 1.00 11.33 C +ATOM 1137 CD1 ILE A 131 -28.551 20.214 -5.447 1.00 10.56 C +ATOM 1138 N ILE A 132 -30.853 24.947 -4.386 1.00 10.47 N +ATOM 1139 CA ILE A 132 -31.560 26.204 -4.742 1.00 12.33 C +ATOM 1140 C ILE A 132 -30.599 27.306 -5.158 1.00 11.32 C +ATOM 1141 O ILE A 132 -30.941 28.086 -6.033 1.00 12.62 O +ATOM 1142 CB ILE A 132 -32.498 26.593 -3.561 1.00 15.17 C +ATOM 1143 CG1 ILE A 132 -33.605 25.613 -3.536 1.00 18.96 C +ATOM 1144 CG2 ILE A 132 -33.061 27.979 -3.804 1.00 19.79 C +ATOM 1145 CD1 ILE A 132 -34.517 25.650 -4.740 1.00 26.50 C +ATOM 1146 N ALA A 133 -29.404 27.331 -4.621 1.00 10.60 N +ATOM 1147 CA ALA A 133 -28.423 28.295 -4.972 1.00 11.37 C +ATOM 1148 C ALA A 133 -28.095 28.267 -6.458 1.00 10.36 C +ATOM 1149 O ALA A 133 -27.664 29.264 -7.054 1.00 11.24 O +ATOM 1150 CB ALA A 133 -27.151 28.151 -4.105 1.00 13.13 C +ATOM 1151 N LEU A 134 -28.260 27.112 -7.110 1.00 9.63 N +ATOM 1152 CA LEU A 134 -27.933 26.960 -8.503 1.00 10.00 C +ATOM 1153 C LEU A 134 -28.818 27.737 -9.469 1.00 10.08 C +ATOM 1154 O LEU A 134 -28.516 27.847 -10.637 1.00 10.35 O +ATOM 1155 CB LEU A 134 -27.950 25.465 -8.892 1.00 10.24 C +ATOM 1156 CG LEU A 134 -26.999 24.574 -8.071 1.00 12.09 C +ATOM 1157 CD1 LEU A 134 -27.240 23.111 -8.449 1.00 13.88 C +ATOM 1158 CD2 LEU A 134 -25.516 25.068 -8.182 1.00 14.20 C +ATOM 1159 N HIS A 135 -29.883 28.333 -8.925 1.00 10.29 N +ATOM 1160 CA HIS A 135 -30.730 29.189 -9.771 1.00 12.05 C +ATOM 1161 C HIS A 135 -29.986 30.361 -10.329 1.00 10.41 C +ATOM 1162 O HIS A 135 -30.397 30.933 -11.364 1.00 12.33 O +ATOM 1163 CB HIS A 135 -32.011 29.671 -8.971 1.00 13.33 C +ATOM 1164 CG HIS A 135 -31.788 30.793 -8.043 1.00 16.90 C +ATOM 1165 ND1 HIS A 135 -31.358 30.671 -6.760 1.00 18.77 N +ATOM 1166 CD2 HIS A 135 -32.063 32.109 -8.219 1.00 22.52 C +ATOM 1167 CE1 HIS A 135 -31.285 31.886 -6.204 1.00 20.11 C +ATOM 1168 NE2 HIS A 135 -31.667 32.782 -7.085 1.00 26.05 N +ATOM 1169 N HIS A 136 -28.874 30.753 -9.747 1.00 9.62 N +ATOM 1170 CA HIS A 136 -28.059 31.843 -10.315 1.00 9.90 C +ATOM 1171 C HIS A 136 -27.410 31.487 -11.618 1.00 9.49 C +ATOM 1172 O HIS A 136 -26.915 32.339 -12.341 1.00 9.37 O +ATOM 1173 CB HIS A 136 -27.014 32.279 -9.298 1.00 10.86 C +ATOM 1174 CG HIS A 136 -27.579 32.927 -8.114 1.00 13.91 C +ATOM 1175 ND1 HIS A 136 -28.281 34.153 -8.143 1.00 16.47 N +ATOM 1176 CD2 HIS A 136 -27.642 32.544 -6.865 1.00 12.97 C +ATOM 1177 CE1 HIS A 136 -28.691 34.442 -6.961 1.00 18.38 C +ATOM 1178 NE2 HIS A 136 -28.285 33.499 -6.118 1.00 16.75 N +ATOM 1179 N PHE A 137 -27.323 30.179 -11.953 1.00 8.73 N +ATOM 1180 CA PHE A 137 -26.840 29.735 -13.246 1.00 8.42 C +ATOM 1181 C PHE A 137 -27.946 29.882 -14.250 1.00 8.88 C +ATOM 1182 O PHE A 137 -28.641 28.970 -14.647 1.00 8.64 O +ATOM 1183 CB PHE A 137 -26.336 28.290 -13.142 1.00 9.14 C +ATOM 1184 CG PHE A 137 -25.034 28.120 -12.372 1.00 8.51 C +ATOM 1185 CD1 PHE A 137 -24.227 29.134 -11.978 1.00 9.82 C +ATOM 1186 CD2 PHE A 137 -24.601 26.824 -12.082 1.00 9.87 C +ATOM 1187 CE1 PHE A 137 -23.034 28.918 -11.354 1.00 10.00 C +ATOM 1188 CE2 PHE A 137 -23.405 26.616 -11.429 1.00 10.71 C +ATOM 1189 CZ PHE A 137 -22.651 27.687 -11.063 1.00 10.66 C +ATOM 1190 N ARG A 138 -28.116 31.147 -14.686 1.00 9.11 N +ATOM 1191 CA ARG A 138 -29.306 31.593 -15.423 1.00 10.16 C +ATOM 1192 C ARG A 138 -29.365 31.022 -16.793 1.00 9.90 C +ATOM 1193 O ARG A 138 -30.432 31.083 -17.410 1.00 12.17 O +ATOM 1194 CB ARG A 138 -29.339 33.134 -15.447 1.00 10.96 C +ATOM 1195 CG ARG A 138 -28.137 33.770 -16.124 1.00 10.55 C +ATOM 1196 CD ARG A 138 -28.244 35.331 -16.007 1.00 11.59 C +ATOM 1197 NE ARG A 138 -27.114 36.015 -16.573 1.00 10.89 N +ATOM 1198 CZ ARG A 138 -26.005 36.287 -15.920 1.00 9.97 C +ATOM 1199 NH1 ARG A 138 -25.912 35.936 -14.626 1.00 9.80 N +ATOM 1200 NH2 ARG A 138 -24.951 36.817 -16.471 1.00 9.81 N +ATOM 1201 N ASN A 139 -28.283 30.442 -17.310 1.00 9.76 N +ATOM 1202 CA ASN A 139 -28.243 29.834 -18.640 1.00 9.54 C +ATOM 1203 C ASN A 139 -28.300 28.323 -18.578 1.00 9.50 C +ATOM 1204 O ASN A 139 -28.174 27.656 -19.610 1.00 9.90 O +ATOM 1205 CB ASN A 139 -27.009 30.274 -19.364 1.00 10.59 C +ATOM 1206 CG ASN A 139 -26.958 31.734 -19.577 1.00 11.69 C +ATOM 1207 OD1 ASN A 139 -27.896 32.335 -20.125 1.00 12.45 O +ATOM 1208 ND2 ASN A 139 -25.900 32.379 -19.111 1.00 14.36 N +ATOM 1209 N LEU A 140 -28.515 27.759 -17.399 1.00 9.40 N +ATOM 1210 CA LEU A 140 -28.508 26.307 -17.272 1.00 8.82 C +ATOM 1211 C LEU A 140 -29.612 25.662 -18.073 1.00 9.89 C +ATOM 1212 O LEU A 140 -30.766 26.121 -18.005 1.00 12.03 O +ATOM 1213 CB LEU A 140 -28.654 25.904 -15.808 1.00 10.50 C +ATOM 1214 CG LEU A 140 -28.024 24.600 -15.345 1.00 12.63 C +ATOM 1215 CD1 LEU A 140 -26.502 24.659 -15.444 1.00 10.97 C +ATOM 1216 CD2 LEU A 140 -28.447 24.354 -13.915 1.00 13.07 C +ATOM 1217 N LYS A 141 -29.309 24.651 -18.823 1.00 9.89 N +ATOM 1218 CA LYS A 141 -30.259 23.885 -19.622 1.00 10.91 C +ATOM 1219 C LYS A 141 -30.515 22.499 -19.103 1.00 11.30 C +ATOM 1220 O LYS A 141 -31.537 21.892 -19.453 1.00 12.36 O +ATOM 1221 CB LYS A 141 -29.756 23.811 -21.049 1.00 13.15 C +ATOM 1222 CG LYS A 141 -29.566 25.172 -21.783 1.00 17.80 C +ATOM 1223 CD LYS A 141 -29.694 24.975 -23.267 1.00 35.49 C +ATOM 1224 CE LYS A 141 -29.200 26.332 -24.092 1.00 39.77 C +ATOM 1225 NZ LYS A 141 -27.705 26.419 -24.287 1.00 30.27 N +ATOM 1226 N TYR A 142 -29.611 21.929 -18.353 1.00 9.85 N +ATOM 1227 CA TYR A 142 -29.716 20.551 -17.825 1.00 10.27 C +ATOM 1228 C TYR A 142 -29.180 20.494 -16.430 1.00 9.01 C +ATOM 1229 O TYR A 142 -28.075 20.963 -16.169 1.00 9.18 O +ATOM 1230 CB TYR A 142 -28.943 19.584 -18.750 1.00 10.98 C +ATOM 1231 CG TYR A 142 -29.032 18.170 -18.340 1.00 10.92 C +ATOM 1232 CD1 TYR A 142 -30.130 17.450 -18.583 1.00 13.85 C +ATOM 1233 CD2 TYR A 142 -27.989 17.515 -17.769 1.00 11.79 C +ATOM 1234 CE1 TYR A 142 -30.201 16.076 -18.239 1.00 15.17 C +ATOM 1235 CE2 TYR A 142 -28.039 16.160 -17.467 1.00 11.70 C +ATOM 1236 CZ TYR A 142 -29.172 15.468 -17.710 1.00 12.12 C +ATOM 1237 OH TYR A 142 -29.210 14.079 -17.465 1.00 13.60 O +ATOM 1238 N LEU A 143 -29.968 19.923 -15.536 1.00 9.29 N +ATOM 1239 CA LEU A 143 -29.569 19.690 -14.131 1.00 8.70 C +ATOM 1240 C LEU A 143 -30.024 18.305 -13.785 1.00 9.14 C +ATOM 1241 O LEU A 143 -31.227 18.019 -13.811 1.00 10.62 O +ATOM 1242 CB LEU A 143 -30.154 20.770 -13.176 1.00 9.62 C +ATOM 1243 CG LEU A 143 -29.792 20.633 -11.729 1.00 9.97 C +ATOM 1244 CD1 LEU A 143 -28.298 20.722 -11.497 1.00 9.83 C +ATOM 1245 CD2 LEU A 143 -30.520 21.676 -10.871 1.00 11.98 C +ATOM 1246 N PHE A 144 -29.097 17.476 -13.386 1.00 8.22 N +ATOM 1247 CA PHE A 144 -29.339 16.092 -12.990 1.00 8.55 C +ATOM 1248 C PHE A 144 -28.919 15.949 -11.548 1.00 7.91 C +ATOM 1249 O PHE A 144 -27.775 16.171 -11.212 1.00 8.56 O +ATOM 1250 CB PHE A 144 -28.547 15.163 -13.889 1.00 8.85 C +ATOM 1251 CG PHE A 144 -28.580 13.690 -13.479 1.00 8.96 C +ATOM 1252 CD1 PHE A 144 -29.717 13.067 -13.035 1.00 9.49 C +ATOM 1253 CD2 PHE A 144 -27.421 12.965 -13.581 1.00 10.15 C +ATOM 1254 CE1 PHE A 144 -29.677 11.707 -12.703 1.00 10.62 C +ATOM 1255 CE2 PHE A 144 -27.397 11.618 -13.289 1.00 11.69 C +ATOM 1256 CZ PHE A 144 -28.558 11.008 -12.828 1.00 11.07 C +ATOM 1257 N LEU A 145 -29.874 15.558 -10.696 1.00 8.44 N +ATOM 1258 CA LEU A 145 -29.654 15.331 -9.262 1.00 8.48 C +ATOM 1259 C LEU A 145 -29.985 13.885 -8.940 1.00 8.63 C +ATOM 1260 O LEU A 145 -31.061 13.420 -9.304 1.00 10.08 O +ATOM 1261 CB LEU A 145 -30.548 16.243 -8.447 1.00 9.85 C +ATOM 1262 CG LEU A 145 -30.448 17.716 -8.751 1.00 10.70 C +ATOM 1263 CD1 LEU A 145 -31.443 18.504 -7.844 1.00 12.94 C +ATOM 1264 CD2 LEU A 145 -29.050 18.284 -8.679 1.00 10.37 C +ATOM 1265 N SER A 146 -29.085 13.194 -8.258 1.00 8.00 N +ATOM 1266 CA SER A 146 -29.225 11.771 -7.988 1.00 8.32 C +ATOM 1267 C SER A 146 -28.638 11.411 -6.644 1.00 8.13 C +ATOM 1268 O SER A 146 -27.523 11.820 -6.327 1.00 7.96 O +ATOM 1269 CB SER A 146 -28.505 10.969 -9.052 1.00 8.77 C +ATOM 1270 OG SER A 146 -28.568 9.596 -8.715 1.00 10.13 O +ATOM 1271 N ASP A 147 -29.402 10.647 -5.844 1.00 9.03 N +ATOM 1272 CA ASP A 147 -28.874 10.074 -4.621 1.00 8.87 C +ATOM 1273 C ASP A 147 -28.308 11.174 -3.701 1.00 9.06 C +ATOM 1274 O ASP A 147 -27.148 11.111 -3.313 1.00 9.71 O +ATOM 1275 CB ASP A 147 -27.848 8.992 -4.890 1.00 10.16 C +ATOM 1276 CG ASP A 147 -27.362 8.260 -3.669 1.00 11.39 C +ATOM 1277 OD1 ASP A 147 -28.141 8.109 -2.691 1.00 12.82 O +ATOM 1278 OD2 ASP A 147 -26.183 7.857 -3.645 1.00 12.22 O +ATOM 1279 N LEU A 148 -29.144 12.145 -3.406 1.00 8.66 N +ATOM 1280 CA LEU A 148 -28.802 13.250 -2.493 1.00 8.62 C +ATOM 1281 C LEU A 148 -29.754 13.162 -1.343 1.00 10.03 C +ATOM 1282 O LEU A 148 -30.802 13.813 -1.309 1.00 10.30 O +ATOM 1283 CB LEU A 148 -28.925 14.624 -3.190 1.00 9.33 C +ATOM 1284 CG LEU A 148 -28.111 14.788 -4.480 1.00 8.48 C +ATOM 1285 CD1 LEU A 148 -28.280 16.179 -5.072 1.00 9.79 C +ATOM 1286 CD2 LEU A 148 -26.646 14.435 -4.303 1.00 9.99 C +ATOM 1287 N PRO A 149 -29.421 12.333 -0.323 1.00 10.43 N +ATOM 1288 CA PRO A 149 -30.406 12.121 0.771 1.00 11.90 C +ATOM 1289 C PRO A 149 -30.728 13.323 1.554 1.00 10.71 C +ATOM 1290 O PRO A 149 -31.786 13.356 2.177 1.00 12.89 O +ATOM 1291 CB PRO A 149 -29.648 11.046 1.603 1.00 13.15 C +ATOM 1292 CG PRO A 149 -28.256 11.178 1.311 1.00 12.85 C +ATOM 1293 CD PRO A 149 -28.205 11.531 -0.160 1.00 9.79 C +ATOM 1294 N GLY A 150 -29.874 14.338 1.527 1.00 10.92 N +ATOM 1295 CA GLY A 150 -30.103 15.593 2.208 1.00 11.65 C +ATOM 1296 C GLY A 150 -31.053 16.504 1.533 1.00 10.73 C +ATOM 1297 O GLY A 150 -31.426 17.538 2.072 1.00 12.22 O +ATOM 1298 N VAL A 151 -31.443 16.164 0.291 1.00 10.30 N +ATOM 1299 CA VAL A 151 -32.397 16.928 -0.424 1.00 12.47 C +ATOM 1300 C VAL A 151 -33.809 16.377 -0.130 1.00 14.13 C +ATOM 1301 O VAL A 151 -34.214 15.304 -0.572 1.00 16.07 O +ATOM 1302 CB VAL A 151 -32.157 16.996 -1.946 1.00 11.81 C +ATOM 1303 CG1 VAL A 151 -33.339 17.693 -2.689 1.00 14.25 C +ATOM 1304 CG2 VAL A 151 -30.840 17.665 -2.198 1.00 12.07 C +ATOM 1305 N LYS A 152 -34.478 17.052 0.775 1.00 14.50 N +ATOM 1306 CA LYS A 152 -35.716 16.515 1.406 1.00 16.57 C +ATOM 1307 C LYS A 152 -36.984 16.993 0.820 1.00 19.64 C +ATOM 1308 O LYS A 152 -38.083 16.413 1.036 1.00 21.24 O +ATOM 1309 CB LYS A 152 -35.734 16.873 2.873 1.00 18.93 C +ATOM 1310 CG LYS A 152 -34.608 16.440 3.751 1.00 16.95 C +ATOM 1311 CD LYS A 152 -34.345 14.920 3.744 1.00 19.19 C +ATOM 1312 CE LYS A 152 -33.369 14.506 4.807 1.00 17.83 C +ATOM 1313 NZ LYS A 152 -32.965 12.990 4.725 1.00 18.73 N +ATOM 1314 N GLU A 153 -36.943 18.056 0.017 1.00 18.80 N +ATOM 1315 CA GLU A 153 -38.149 18.625 -0.511 1.00 19.50 C +ATOM 1316 C GLU A 153 -38.104 18.752 -2.071 1.00 19.11 C +ATOM 1317 O GLU A 153 -38.142 19.901 -2.578 1.00 19.89 O +ATOM 1318 CB GLU A 153 -38.347 19.937 0.172 1.00 23.86 C +ATOM 1319 CG GLU A 153 -38.786 19.711 1.565 1.00 27.31 C +ATOM 1320 CD GLU A 153 -40.341 19.169 1.494 1.00 32.59 C +ATOM 1321 OE1 GLU A 153 -41.307 19.962 1.123 1.00 46.94 O +ATOM 1322 OE2 GLU A 153 -40.581 17.908 1.668 1.00 50.03 O +ATOM 1323 N LYS A 154 -37.996 17.634 -2.730 1.00 19.38 N +ATOM 1324 CA LYS A 154 -37.744 17.686 -4.194 1.00 21.10 C +ATOM 1325 C LYS A 154 -38.872 18.357 -4.932 1.00 20.50 C +ATOM 1326 O LYS A 154 -38.639 18.920 -5.978 1.00 22.07 O +ATOM 1327 CB LYS A 154 -37.462 16.259 -4.771 1.00 21.81 C +ATOM 1328 CG LYS A 154 -38.559 15.237 -4.661 1.00 21.21 C +ATOM 1329 CD LYS A 154 -38.192 13.867 -5.033 1.00 22.55 C +ATOM 1330 CE LYS A 154 -39.301 12.859 -4.889 1.00 26.84 C +ATOM 1331 NZ LYS A 154 -38.928 11.560 -5.437 1.00 31.23 N +ATOM 1332 N GLU A 155 -40.070 18.283 -4.454 1.00 21.12 N +ATOM 1333 CA GLU A 155 -41.175 18.886 -5.217 1.00 21.19 C +ATOM 1334 C GLU A 155 -41.093 20.370 -5.147 1.00 21.69 C +ATOM 1335 O GLU A 155 -41.400 21.099 -6.139 1.00 22.62 O +ATOM 1336 CB GLU A 155 -42.551 18.445 -4.602 1.00 24.72 C +ATOM 1337 CG GLU A 155 -42.719 17.012 -4.682 1.00 30.60 C +ATOM 1338 CD GLU A 155 -42.067 16.153 -3.442 1.00 33.39 C +ATOM 1339 OE1 GLU A 155 -42.278 14.931 -3.604 1.00 35.61 O +ATOM 1340 OE2 GLU A 155 -41.317 16.642 -2.475 1.00 26.07 O +ATOM 1341 N LYS A 156 -40.619 20.926 -4.041 1.00 21.68 N +ATOM 1342 CA LYS A 156 -40.385 22.321 -3.993 1.00 23.25 C +ATOM 1343 C LYS A 156 -39.273 22.796 -4.912 1.00 24.09 C +ATOM 1344 O LYS A 156 -39.304 23.889 -5.431 1.00 25.18 O +ATOM 1345 CB LYS A 156 -40.129 22.802 -2.566 1.00 25.62 C +ATOM 1346 CG LYS A 156 -41.292 22.636 -1.645 1.00 27.67 C +ATOM 1347 CD LYS A 156 -41.072 23.051 -0.191 1.00 30.36 C +ATOM 1348 CE LYS A 156 -42.450 22.905 0.595 1.00 34.95 C +ATOM 1349 NZ LYS A 156 -42.083 23.161 2.037 1.00 37.64 N +ATOM 1350 N ILE A 157 -38.250 21.977 -5.049 1.00 22.84 N +ATOM 1351 CA ILE A 157 -37.105 22.235 -5.959 1.00 21.24 C +ATOM 1352 C ILE A 157 -37.678 22.319 -7.377 1.00 20.79 C +ATOM 1353 O ILE A 157 -37.417 23.260 -8.146 1.00 20.93 O +ATOM 1354 CB ILE A 157 -36.057 21.142 -5.801 1.00 21.46 C +ATOM 1355 CG1 ILE A 157 -35.272 21.407 -4.477 1.00 25.81 C +ATOM 1356 CG2 ILE A 157 -35.065 21.197 -7.068 1.00 22.34 C +ATOM 1357 CD1 ILE A 157 -34.346 20.481 -4.196 1.00 29.70 C +ATOM 1358 N VAL A 158 -38.490 21.341 -7.761 1.00 18.36 N +ATOM 1359 CA VAL A 158 -39.095 21.354 -9.076 1.00 17.41 C +ATOM 1360 C VAL A 158 -39.881 22.660 -9.333 1.00 21.14 C +ATOM 1361 O VAL A 158 -39.703 23.330 -10.362 1.00 20.40 O +ATOM 1362 CB VAL A 158 -40.095 20.173 -9.276 1.00 19.23 C +ATOM 1363 CG1 VAL A 158 -40.833 20.297 -10.620 1.00 19.07 C +ATOM 1364 CG2 VAL A 158 -39.332 18.790 -9.221 1.00 19.54 C +ATOM 1365 N GLN A 159 -40.707 23.034 -8.399 1.00 22.01 N +ATOM 1366 CA GLN A 159 -41.536 24.245 -8.590 1.00 23.99 C +ATOM 1367 C GLN A 159 -40.696 25.507 -8.604 1.00 27.23 C +ATOM 1368 O GLN A 159 -40.923 26.383 -9.492 1.00 26.06 O +ATOM 1369 CB GLN A 159 -42.549 24.301 -7.492 1.00 25.11 C +ATOM 1370 CG GLN A 159 -43.600 23.236 -7.649 1.00 29.58 C +ATOM 1371 CD GLN A 159 -44.237 23.155 -9.114 1.00 32.25 C +ATOM 1372 OE1 GLN A 159 -44.785 24.219 -9.672 1.00 38.02 O +ATOM 1373 NE2 GLN A 159 -44.119 21.965 -9.774 1.00 35.73 N +ATOM 1374 N ALA A 160 -39.631 25.537 -7.780 1.00 23.67 N +ATOM 1375 CA ALA A 160 -38.673 26.672 -7.761 1.00 26.30 C +ATOM 1376 C ALA A 160 -38.024 26.905 -9.064 1.00 24.74 C +ATOM 1377 O ALA A 160 -37.848 28.065 -9.503 1.00 26.67 O +ATOM 1378 CB ALA A 160 -37.675 26.544 -6.766 1.00 26.70 C +ATOM 1379 N PHE A 161 -37.540 25.815 -9.628 1.00 20.97 N +ATOM 1380 CA PHE A 161 -36.804 25.905 -10.910 1.00 17.78 C +ATOM 1381 C PHE A 161 -37.792 26.128 -12.040 1.00 19.09 C +ATOM 1382 O PHE A 161 -37.474 26.760 -13.070 1.00 19.63 O +ATOM 1383 CB PHE A 161 -35.938 24.676 -11.180 1.00 17.21 C +ATOM 1384 CG PHE A 161 -34.664 24.620 -10.446 1.00 16.76 C +ATOM 1385 CD1 PHE A 161 -33.721 25.570 -10.669 1.00 23.47 C +ATOM 1386 CD2 PHE A 161 -34.317 23.574 -9.686 1.00 20.83 C +ATOM 1387 CE1 PHE A 161 -32.479 25.548 -9.941 1.00 21.07 C +ATOM 1388 CE2 PHE A 161 -33.143 23.506 -8.976 1.00 20.90 C +ATOM 1389 CZ PHE A 161 -32.275 24.624 -9.010 1.00 18.53 C +ATOM 1390 N LYS A 162 -39.041 25.777 -11.856 1.00 19.78 N +ATOM 1391 CA LYS A 162 -39.975 25.975 -12.880 1.00 23.57 C +ATOM 1392 C LYS A 162 -40.274 27.435 -13.109 1.00 22.99 C +ATOM 1393 O LYS A 162 -40.465 27.892 -14.290 1.00 27.11 O +ATOM 1394 CB LYS A 162 -41.387 25.337 -12.545 1.00 24.89 C +ATOM 1395 CG LYS A 162 -41.447 23.987 -13.142 1.00 29.95 C +ATOM 1396 CD LYS A 162 -42.868 23.441 -12.881 1.00 37.25 C +ATOM 1397 CE LYS A 162 -43.054 21.997 -13.476 1.00 41.12 C +ATOM 1398 NZ LYS A 162 -44.074 21.183 -12.624 1.00 45.55 N +ATOM 1399 N THR A 163 -40.138 28.138 -12.028 1.00 23.80 N +ATOM 1400 CA THR A 163 -40.249 29.626 -12.074 1.00 28.43 C +ATOM 1401 C THR A 163 -38.931 30.300 -12.493 1.00 26.78 C +ATOM 1402 O THR A 163 -38.977 31.267 -13.358 1.00 27.85 O +ATOM 1403 CB THR A 163 -40.688 30.143 -10.780 1.00 31.31 C +ATOM 1404 OG1 THR A 163 -42.039 29.650 -10.590 1.00 40.51 O +ATOM 1405 CG2 THR A 163 -40.643 31.750 -10.757 1.00 39.41 C +ATOM 1406 N SER A 164 -37.818 29.910 -11.863 1.00 23.95 N +ATOM 1407 CA SER A 164 -36.535 30.640 -11.969 1.00 22.77 C +ATOM 1408 C SER A 164 -35.775 30.248 -13.158 1.00 20.99 C +ATOM 1409 O SER A 164 -34.973 31.050 -13.647 1.00 25.05 O +ATOM 1410 CB SER A 164 -35.563 30.473 -10.743 1.00 26.05 C +ATOM 1411 OG SER A 164 -35.217 29.138 -10.482 1.00 26.62 O +ATOM 1412 N LEU A 165 -36.033 29.052 -13.703 1.00 19.33 N +ATOM 1413 CA LEU A 165 -35.362 28.533 -14.883 1.00 18.65 C +ATOM 1414 C LEU A 165 -36.365 27.702 -15.716 1.00 18.78 C +ATOM 1415 O LEU A 165 -36.290 26.466 -15.791 1.00 17.17 O +ATOM 1416 CB LEU A 165 -34.155 27.660 -14.535 1.00 17.62 C +ATOM 1417 CG LEU A 165 -32.960 28.331 -13.846 1.00 20.85 C +ATOM 1418 CD1 LEU A 165 -31.929 27.329 -13.448 1.00 22.48 C +ATOM 1419 CD2 LEU A 165 -32.291 29.409 -14.769 1.00 31.29 C +ATOM 1420 N PRO A 166 -37.349 28.348 -16.330 1.00 21.32 N +ATOM 1421 CA PRO A 166 -38.397 27.584 -17.028 1.00 23.00 C +ATOM 1422 C PRO A 166 -38.028 26.777 -18.146 1.00 21.56 C +ATOM 1423 O PRO A 166 -38.716 25.740 -18.517 1.00 25.90 O +ATOM 1424 CB PRO A 166 -39.374 28.720 -17.519 1.00 24.49 C +ATOM 1425 CG PRO A 166 -38.641 29.859 -17.423 1.00 27.46 C +ATOM 1426 CD PRO A 166 -37.494 29.821 -16.421 1.00 24.62 C +ATOM 1427 N SER A 167 -36.788 27.018 -18.684 1.00 20.86 N +ATOM 1428 CA SER A 167 -36.366 26.193 -19.780 1.00 21.97 C +ATOM 1429 C SER A 167 -35.464 24.993 -19.316 1.00 21.28 C +ATOM 1430 O SER A 167 -35.009 24.237 -20.166 1.00 24.44 O +ATOM 1431 CB SER A 167 -35.628 26.934 -20.830 1.00 25.35 C +ATOM 1432 OG SER A 167 -34.606 27.521 -20.272 1.00 31.24 O +ATOM 1433 N LEU A 168 -35.265 24.834 -18.038 1.00 17.88 N +ATOM 1434 CA LEU A 168 -34.370 23.853 -17.510 1.00 15.95 C +ATOM 1435 C LEU A 168 -34.944 22.465 -17.712 1.00 16.29 C +ATOM 1436 O LEU A 168 -36.128 22.213 -17.350 1.00 21.45 O +ATOM 1437 CB LEU A 168 -34.124 24.123 -16.007 1.00 18.43 C +ATOM 1438 CG LEU A 168 -33.181 23.186 -15.322 1.00 16.35 C +ATOM 1439 CD1 LEU A 168 -31.803 23.255 -15.908 1.00 13.88 C +ATOM 1440 CD2 LEU A 168 -33.270 23.406 -13.818 1.00 19.81 C +ATOM 1441 N GLU A 169 -34.162 21.508 -18.211 1.00 14.64 N +ATOM 1442 CA GLU A 169 -34.445 20.093 -18.139 1.00 15.14 C +ATOM 1443 C GLU A 169 -33.886 19.610 -16.820 1.00 13.82 C +ATOM 1444 O GLU A 169 -32.673 19.532 -16.653 1.00 13.60 O +ATOM 1445 CB GLU A 169 -33.783 19.374 -19.312 1.00 14.28 C +ATOM 1446 CG GLU A 169 -34.056 17.906 -19.306 1.00 18.41 C +ATOM 1447 CD GLU A 169 -33.275 17.224 -20.421 1.00 17.69 C +ATOM 1448 OE1 GLU A 169 -32.722 17.846 -21.337 1.00 22.77 O +ATOM 1449 OE2 GLU A 169 -33.217 15.901 -20.432 1.00 23.13 O +ATOM 1450 N LEU A 170 -34.778 19.310 -15.913 1.00 15.41 N +ATOM 1451 CA LEU A 170 -34.446 18.882 -14.533 1.00 14.43 C +ATOM 1452 C LEU A 170 -34.699 17.436 -14.382 1.00 14.58 C +ATOM 1453 O LEU A 170 -35.867 17.029 -14.533 1.00 18.81 O +ATOM 1454 CB LEU A 170 -35.304 19.700 -13.473 1.00 16.06 C +ATOM 1455 CG LEU A 170 -35.028 19.369 -12.030 1.00 15.62 C +ATOM 1456 CD1 LEU A 170 -33.629 19.740 -11.592 1.00 17.17 C +ATOM 1457 CD2 LEU A 170 -36.083 20.055 -11.112 1.00 18.91 C +ATOM 1458 N LYS A 171 -33.690 16.630 -14.208 1.00 12.59 N +ATOM 1459 CA LYS A 171 -33.812 15.191 -14.064 1.00 11.85 C +ATOM 1460 C LYS A 171 -33.519 14.849 -12.619 1.00 10.49 C +ATOM 1461 O LYS A 171 -32.421 15.121 -12.115 1.00 10.75 O +ATOM 1462 CB LYS A 171 -32.847 14.507 -15.018 1.00 13.52 C +ATOM 1463 CG LYS A 171 -32.930 13.060 -14.972 1.00 15.03 C +ATOM 1464 CD LYS A 171 -32.023 12.496 -15.964 1.00 15.92 C +ATOM 1465 CE LYS A 171 -32.126 11.070 -16.072 1.00 19.30 C +ATOM 1466 NZ LYS A 171 -33.490 10.632 -16.680 1.00 20.75 N +ATOM 1467 N LEU A 172 -34.466 14.216 -11.988 1.00 11.19 N +ATOM 1468 CA LEU A 172 -34.372 13.961 -10.552 1.00 11.11 C +ATOM 1469 C LEU A 172 -34.410 12.444 -10.346 1.00 11.36 C +ATOM 1470 O LEU A 172 -35.445 11.783 -10.734 1.00 14.81 O +ATOM 1471 CB LEU A 172 -35.464 14.599 -9.757 1.00 14.84 C +ATOM 1472 CG LEU A 172 -35.545 16.072 -9.797 1.00 14.53 C +ATOM 1473 CD1 LEU A 172 -36.710 16.600 -8.909 1.00 19.98 C +ATOM 1474 CD2 LEU A 172 -34.232 16.775 -9.450 1.00 15.12 C +ATOM 1475 N ASP A 173 -33.397 11.886 -9.753 1.00 8.99 N +ATOM 1476 CA ASP A 173 -33.384 10.533 -9.236 1.00 9.83 C +ATOM 1477 C ASP A 173 -33.129 10.631 -7.735 1.00 10.02 C +ATOM 1478 O ASP A 173 -32.086 10.304 -7.209 1.00 10.52 O +ATOM 1479 CB ASP A 173 -32.299 9.694 -9.911 1.00 10.68 C +ATOM 1480 CG ASP A 173 -32.613 9.280 -11.332 1.00 11.60 C +ATOM 1481 OD1 ASP A 173 -33.736 9.315 -11.711 1.00 17.15 O +ATOM 1482 OD2 ASP A 173 -31.698 8.868 -12.015 1.00 10.46 O +ATOM 1483 N LEU A 174 -34.149 11.111 -7.056 1.00 11.48 N +ATOM 1484 CA LEU A 174 -34.075 11.448 -5.637 1.00 11.84 C +ATOM 1485 C LEU A 174 -35.168 10.728 -4.889 1.00 12.94 C +ATOM 1486 O LEU A 174 -36.277 10.568 -5.363 1.00 15.73 O +ATOM 1487 CB LEU A 174 -34.275 12.952 -5.418 1.00 12.96 C +ATOM 1488 CG LEU A 174 -33.232 13.900 -6.003 1.00 12.14 C +ATOM 1489 CD1 LEU A 174 -33.605 15.361 -5.759 1.00 15.25 C +ATOM 1490 CD2 LEU A 174 -31.875 13.601 -5.461 1.00 12.70 C +ATOM 1491 N ALYS A 175 -34.819 10.182 -3.708 0.50 14.97 N +ATOM 1492 N BLYS A 175 -34.851 10.338 -3.658 0.50 14.41 N +ATOM 1493 CA ALYS A 175 -35.838 9.454 -2.869 0.50 15.76 C +ATOM 1494 CA BLYS A 175 -35.887 9.819 -2.744 0.50 14.84 C +ATOM 1495 C ALYS A 175 -36.725 10.472 -2.191 0.50 18.31 C +ATOM 1496 C BLYS A 175 -36.831 10.940 -2.369 0.50 16.09 C +ATOM 1497 O ALYS A 175 -37.915 10.226 -1.933 0.50 16.49 O +ATOM 1498 O BLYS A 175 -36.393 11.964 -2.192 0.50 12.43 O +ATOM 1499 CB ALYS A 175 -35.186 8.644 -1.766 0.50 15.43 C +ATOM 1500 CB BLYS A 175 -35.188 9.232 -1.533 0.50 15.87 C +ATOM 1501 CG ALYS A 175 -34.569 7.205 -2.136 0.50 16.21 C +ATOM 1502 CG BLYS A 175 -34.241 7.990 -1.809 0.50 19.60 C +ATOM 1503 CD ALYS A 175 -34.542 6.292 -0.890 0.50 16.65 C +ATOM 1504 CD BLYS A 175 -34.482 6.903 -0.667 0.50 21.60 C +ATOM 1505 CE ALYS A 175 -33.492 5.077 -1.108 0.50 20.10 C +ATOM 1506 CE BLYS A 175 -33.616 5.658 -0.860 0.50 24.52 C +ATOM 1507 NZ ALYS A 175 -32.072 5.610 -1.322 0.50 8.53 N +ATOM 1508 NZ BLYS A 175 -34.429 4.456 -0.634 0.50 14.65 N +TER 1509 LYS A 175 +END diff --git a/bench/main_benchmark/structures/SFB_FS_NUSG_2K06A_2LQ8A/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_NUSG_2K06A_2LQ8A/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9081f73a0e063eab4316973b885a854db0629db5 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_NUSG_2K06A_2LQ8A/state_a.pdb @@ -0,0 +1,1985 @@ +MODEL 1 +ATOM 1 N MET A 1 -7.812 -4.442 33.647 1.00 0.00 N +ATOM 2 CA MET A 1 -9.264 -4.206 33.407 1.00 0.00 C +ATOM 3 C MET A 1 -9.951 -3.864 34.730 1.00 0.00 C +ATOM 4 O MET A 1 -9.612 -4.391 35.771 1.00 0.00 O +ATOM 5 CB MET A 1 -9.894 -5.469 32.816 1.00 0.00 C +ATOM 6 CG MET A 1 -9.255 -5.772 31.460 1.00 0.00 C +ATOM 7 SD MET A 1 -10.142 -7.136 30.666 1.00 0.00 S +ATOM 8 CE MET A 1 -11.636 -6.212 30.230 1.00 0.00 C +ATOM 9 H1 MET A 1 -7.384 -4.865 32.800 1.00 0.00 H +ATOM 10 H2 MET A 1 -7.695 -5.087 34.455 1.00 0.00 H +ATOM 11 H3 MET A 1 -7.344 -3.537 33.854 1.00 0.00 H +ATOM 12 HA MET A 1 -9.386 -3.386 32.715 1.00 0.00 H +ATOM 13 HB2 MET A 1 -9.729 -6.301 33.486 1.00 0.00 H +ATOM 14 HB3 MET A 1 -10.955 -5.316 32.688 1.00 0.00 H +ATOM 15 HG2 MET A 1 -9.308 -4.894 30.833 1.00 0.00 H +ATOM 16 HG3 MET A 1 -8.221 -6.050 31.603 1.00 0.00 H +ATOM 17 HE1 MET A 1 -11.813 -6.298 29.166 1.00 0.00 H +ATOM 18 HE2 MET A 1 -11.507 -5.174 30.488 1.00 0.00 H +ATOM 19 HE3 MET A 1 -12.478 -6.615 30.775 1.00 0.00 H +ATOM 20 N SER A 2 -10.916 -2.986 34.698 1.00 0.00 N +ATOM 21 CA SER A 2 -11.623 -2.611 35.955 1.00 0.00 C +ATOM 22 C SER A 2 -12.197 -3.869 36.611 1.00 0.00 C +ATOM 23 O SER A 2 -12.223 -3.993 37.820 1.00 0.00 O +ATOM 24 CB SER A 2 -12.761 -1.641 35.630 1.00 0.00 C +ATOM 25 OG SER A 2 -12.246 -0.533 34.907 1.00 0.00 O +ATOM 26 H SER A 2 -11.175 -2.573 33.848 1.00 0.00 H +ATOM 27 HA SER A 2 -10.928 -2.137 36.632 1.00 0.00 H +ATOM 28 HB2 SER A 2 -13.505 -2.147 35.032 1.00 0.00 H +ATOM 29 HB3 SER A 2 -13.212 -1.294 36.548 1.00 0.00 H +ATOM 30 HG SER A 2 -11.496 -0.184 35.393 1.00 0.00 H +ATOM 31 N GLU A 3 -12.656 -4.803 35.824 1.00 0.00 N +ATOM 32 CA GLU A 3 -13.227 -6.051 36.404 1.00 0.00 C +ATOM 33 C GLU A 3 -12.290 -7.224 36.109 1.00 0.00 C +ATOM 34 O GLU A 3 -11.726 -7.327 35.038 1.00 0.00 O +ATOM 35 CB GLU A 3 -14.597 -6.323 35.779 1.00 0.00 C +ATOM 36 CG GLU A 3 -15.233 -7.541 36.453 1.00 0.00 C +ATOM 37 CD GLU A 3 -16.536 -7.899 35.736 1.00 0.00 C +ATOM 38 OE1 GLU A 3 -16.849 -7.243 34.756 1.00 0.00 O +ATOM 39 OE2 GLU A 3 -17.199 -8.822 36.178 1.00 0.00 O +ATOM 40 H GLU A 3 -12.626 -4.683 34.852 1.00 0.00 H +ATOM 41 HA GLU A 3 -13.335 -5.936 37.472 1.00 0.00 H +ATOM 42 HB2 GLU A 3 -15.234 -5.461 35.919 1.00 0.00 H +ATOM 43 HB3 GLU A 3 -14.480 -6.516 34.723 1.00 0.00 H +ATOM 44 HG2 GLU A 3 -14.552 -8.377 36.402 1.00 0.00 H +ATOM 45 HG3 GLU A 3 -15.443 -7.311 37.488 1.00 0.00 H +ATOM 46 N ALA A 4 -12.120 -8.111 37.051 1.00 0.00 N +ATOM 47 CA ALA A 4 -11.219 -9.276 36.823 1.00 0.00 C +ATOM 48 C ALA A 4 -11.687 -10.048 35.588 1.00 0.00 C +ATOM 49 O ALA A 4 -12.851 -10.370 35.451 1.00 0.00 O +ATOM 50 CB ALA A 4 -11.255 -10.196 38.045 1.00 0.00 C +ATOM 51 H ALA A 4 -12.583 -8.011 37.909 1.00 0.00 H +ATOM 52 HA ALA A 4 -10.209 -8.925 36.667 1.00 0.00 H +ATOM 53 HB1 ALA A 4 -11.698 -11.142 37.770 1.00 0.00 H +ATOM 54 HB2 ALA A 4 -11.843 -9.736 38.825 1.00 0.00 H +ATOM 55 HB3 ALA A 4 -10.249 -10.360 38.402 1.00 0.00 H +ATOM 56 N PRO A 5 -10.755 -10.349 34.672 1.00 0.00 N +ATOM 57 CA PRO A 5 -11.063 -11.085 33.439 1.00 0.00 C +ATOM 58 C PRO A 5 -11.394 -12.554 33.720 1.00 0.00 C +ATOM 59 O PRO A 5 -10.831 -13.169 34.604 1.00 0.00 O +ATOM 60 CB PRO A 5 -9.769 -10.987 32.631 1.00 0.00 C +ATOM 61 CG PRO A 5 -8.702 -10.784 33.653 1.00 0.00 C +ATOM 62 CD PRO A 5 -9.329 -9.993 34.767 1.00 0.00 C +ATOM 63 HA PRO A 5 -11.864 -10.630 32.879 1.00 0.00 H +ATOM 64 HB2 PRO A 5 -9.619 -11.900 32.075 1.00 0.00 H +ATOM 65 HB3 PRO A 5 -9.831 -10.152 31.949 1.00 0.00 H +ATOM 66 HG2 PRO A 5 -8.356 -11.742 34.012 1.00 0.00 H +ATOM 67 HG3 PRO A 5 -7.878 -10.240 33.215 1.00 0.00 H +ATOM 68 HD2 PRO A 5 -8.911 -10.285 35.719 1.00 0.00 H +ATOM 69 HD3 PRO A 5 -9.173 -8.936 34.613 1.00 0.00 H +ATOM 70 N LYS A 6 -12.302 -13.119 32.973 1.00 0.00 N +ATOM 71 CA LYS A 6 -12.669 -14.546 33.197 1.00 0.00 C +ATOM 72 C LYS A 6 -12.303 -15.366 31.957 1.00 0.00 C +ATOM 73 O LYS A 6 -12.653 -15.019 30.847 1.00 0.00 O +ATOM 74 CB LYS A 6 -14.173 -14.653 33.453 1.00 0.00 C +ATOM 75 CG LYS A 6 -14.516 -16.076 33.897 1.00 0.00 C +ATOM 76 CD LYS A 6 -16.026 -16.193 34.111 1.00 0.00 C +ATOM 77 CE LYS A 6 -16.352 -17.564 34.707 1.00 0.00 C +ATOM 78 NZ LYS A 6 -16.791 -18.486 33.621 1.00 0.00 N +ATOM 79 H LYS A 6 -12.744 -12.606 32.265 1.00 0.00 H +ATOM 80 HA LYS A 6 -12.130 -14.927 34.052 1.00 0.00 H +ATOM 81 HB2 LYS A 6 -14.456 -13.956 34.228 1.00 0.00 H +ATOM 82 HB3 LYS A 6 -14.710 -14.420 32.546 1.00 0.00 H +ATOM 83 HG2 LYS A 6 -14.205 -16.776 33.135 1.00 0.00 H +ATOM 84 HG3 LYS A 6 -14.003 -16.299 34.821 1.00 0.00 H +ATOM 85 HD2 LYS A 6 -16.355 -15.419 34.789 1.00 0.00 H +ATOM 86 HD3 LYS A 6 -16.534 -16.082 33.165 1.00 0.00 H +ATOM 87 HE2 LYS A 6 -15.472 -17.966 35.187 1.00 0.00 H +ATOM 88 HE3 LYS A 6 -17.144 -17.462 35.434 1.00 0.00 H +ATOM 89 HZ1 LYS A 6 -17.757 -18.241 33.328 1.00 0.00 H +ATOM 90 HZ2 LYS A 6 -16.771 -19.466 33.970 1.00 0.00 H +ATOM 91 HZ3 LYS A 6 -16.150 -18.394 32.808 1.00 0.00 H +ATOM 92 N LYS A 7 -11.602 -16.452 32.138 1.00 0.00 N +ATOM 93 CA LYS A 7 -11.216 -17.291 30.969 1.00 0.00 C +ATOM 94 C LYS A 7 -12.230 -18.424 30.798 1.00 0.00 C +ATOM 95 O LYS A 7 -12.624 -19.067 31.750 1.00 0.00 O +ATOM 96 CB LYS A 7 -9.825 -17.884 31.203 1.00 0.00 C +ATOM 97 CG LYS A 7 -8.805 -16.752 31.346 1.00 0.00 C +ATOM 98 CD LYS A 7 -7.400 -17.345 31.464 1.00 0.00 C +ATOM 99 CE LYS A 7 -6.393 -16.223 31.726 1.00 0.00 C +ATOM 100 NZ LYS A 7 -5.106 -16.809 32.195 1.00 0.00 N +ATOM 101 H LYS A 7 -11.329 -16.715 33.041 1.00 0.00 H +ATOM 102 HA LYS A 7 -11.202 -16.683 30.077 1.00 0.00 H +ATOM 103 HB2 LYS A 7 -9.834 -18.477 32.106 1.00 0.00 H +ATOM 104 HB3 LYS A 7 -9.554 -18.509 30.365 1.00 0.00 H +ATOM 105 HG2 LYS A 7 -8.854 -16.112 30.478 1.00 0.00 H +ATOM 106 HG3 LYS A 7 -9.029 -16.176 32.232 1.00 0.00 H +ATOM 107 HD2 LYS A 7 -7.374 -18.050 32.282 1.00 0.00 H +ATOM 108 HD3 LYS A 7 -7.144 -17.851 30.545 1.00 0.00 H +ATOM 109 HE2 LYS A 7 -6.225 -15.669 30.813 1.00 0.00 H +ATOM 110 HE3 LYS A 7 -6.783 -15.558 32.483 1.00 0.00 H +ATOM 111 HZ1 LYS A 7 -4.383 -16.064 32.246 1.00 0.00 H +ATOM 112 HZ2 LYS A 7 -4.798 -17.547 31.528 1.00 0.00 H +ATOM 113 HZ3 LYS A 7 -5.238 -17.226 33.138 1.00 0.00 H +ATOM 114 N ARG A 8 -12.658 -18.672 29.590 1.00 0.00 N +ATOM 115 CA ARG A 8 -13.646 -19.763 29.360 1.00 0.00 C +ATOM 116 C ARG A 8 -13.073 -20.768 28.359 1.00 0.00 C +ATOM 117 O ARG A 8 -12.252 -20.432 27.528 1.00 0.00 O +ATOM 118 CB ARG A 8 -14.941 -19.168 28.802 1.00 0.00 C +ATOM 119 CG ARG A 8 -15.557 -18.227 29.840 1.00 0.00 C +ATOM 120 CD ARG A 8 -16.905 -17.715 29.328 1.00 0.00 C +ATOM 121 NE ARG A 8 -17.402 -16.639 30.230 1.00 0.00 N +ATOM 122 CZ ARG A 8 -17.634 -15.445 29.755 1.00 0.00 C +ATOM 123 NH1 ARG A 8 -18.707 -15.222 29.046 1.00 0.00 N +ATOM 124 NH2 ARG A 8 -16.793 -14.475 29.989 1.00 0.00 N +ATOM 125 H ARG A 8 -12.328 -18.142 28.835 1.00 0.00 H +ATOM 126 HA ARG A 8 -13.853 -20.264 30.294 1.00 0.00 H +ATOM 127 HB2 ARG A 8 -14.724 -18.616 27.899 1.00 0.00 H +ATOM 128 HB3 ARG A 8 -15.636 -19.964 28.580 1.00 0.00 H +ATOM 129 HG2 ARG A 8 -15.703 -18.760 30.767 1.00 0.00 H +ATOM 130 HG3 ARG A 8 -14.894 -17.391 30.006 1.00 0.00 H +ATOM 131 HD2 ARG A 8 -16.785 -17.322 28.329 1.00 0.00 H +ATOM 132 HD3 ARG A 8 -17.616 -18.528 29.311 1.00 0.00 H +ATOM 133 HE ARG A 8 -17.555 -16.827 31.179 1.00 0.00 H +ATOM 134 HH11 ARG A 8 -19.351 -15.966 28.867 1.00 0.00 H +ATOM 135 HH12 ARG A 8 -18.885 -14.308 28.683 1.00 0.00 H +ATOM 136 HH21 ARG A 8 -15.971 -14.646 30.532 1.00 0.00 H +ATOM 137 HH22 ARG A 8 -16.971 -13.561 29.626 1.00 0.00 H +ATOM 138 N TRP A 9 -13.498 -22.000 28.431 1.00 0.00 N +ATOM 139 CA TRP A 9 -12.975 -23.025 27.485 1.00 0.00 C +ATOM 140 C TRP A 9 -13.926 -23.153 26.293 1.00 0.00 C +ATOM 141 O TRP A 9 -15.128 -23.235 26.451 1.00 0.00 O +ATOM 142 CB TRP A 9 -12.870 -24.373 28.200 1.00 0.00 C +ATOM 143 CG TRP A 9 -11.635 -24.395 29.042 1.00 0.00 C +ATOM 144 CD1 TRP A 9 -11.585 -24.076 30.356 1.00 0.00 C +ATOM 145 CD2 TRP A 9 -10.276 -24.749 28.655 1.00 0.00 C +ATOM 146 NE1 TRP A 9 -10.282 -24.210 30.799 1.00 0.00 N +ATOM 147 CE2 TRP A 9 -9.437 -24.623 29.788 1.00 0.00 C +ATOM 148 CE3 TRP A 9 -9.695 -25.162 27.442 1.00 0.00 C +ATOM 149 CZ2 TRP A 9 -8.071 -24.897 29.720 1.00 0.00 C +ATOM 150 CZ3 TRP A 9 -8.320 -25.439 27.371 1.00 0.00 C +ATOM 151 CH2 TRP A 9 -7.510 -25.307 28.507 1.00 0.00 C +ATOM 152 H TRP A 9 -14.159 -22.251 29.109 1.00 0.00 H +ATOM 153 HA TRP A 9 -11.998 -22.726 27.135 1.00 0.00 H +ATOM 154 HB2 TRP A 9 -13.737 -24.516 28.828 1.00 0.00 H +ATOM 155 HB3 TRP A 9 -12.821 -25.166 27.468 1.00 0.00 H +ATOM 156 HD1 TRP A 9 -12.425 -23.766 30.959 1.00 0.00 H +ATOM 157 HE1 TRP A 9 -9.975 -24.038 31.714 1.00 0.00 H +ATOM 158 HE3 TRP A 9 -10.310 -25.267 26.561 1.00 0.00 H +ATOM 159 HZ2 TRP A 9 -7.451 -24.794 30.599 1.00 0.00 H +ATOM 160 HZ3 TRP A 9 -7.884 -25.756 26.435 1.00 0.00 H +ATOM 161 HH2 TRP A 9 -6.453 -25.521 28.446 1.00 0.00 H +ATOM 162 N TYR A 10 -13.396 -23.174 25.101 1.00 0.00 N +ATOM 163 CA TYR A 10 -14.268 -23.299 23.899 1.00 0.00 C +ATOM 164 C TYR A 10 -13.845 -24.528 23.093 1.00 0.00 C +ATOM 165 O TYR A 10 -12.691 -24.909 23.083 1.00 0.00 O +ATOM 166 CB TYR A 10 -14.125 -22.048 23.031 1.00 0.00 C +ATOM 167 CG TYR A 10 -14.625 -20.844 23.794 1.00 0.00 C +ATOM 168 CD1 TYR A 10 -15.872 -20.887 24.431 1.00 0.00 C +ATOM 169 CD2 TYR A 10 -13.843 -19.686 23.864 1.00 0.00 C +ATOM 170 CE1 TYR A 10 -16.335 -19.771 25.137 1.00 0.00 C +ATOM 171 CE2 TYR A 10 -14.307 -18.569 24.570 1.00 0.00 C +ATOM 172 CZ TYR A 10 -15.553 -18.612 25.207 1.00 0.00 C +ATOM 173 OH TYR A 10 -16.010 -17.512 25.904 1.00 0.00 O +ATOM 174 H TYR A 10 -12.424 -23.109 24.996 1.00 0.00 H +ATOM 175 HA TYR A 10 -15.296 -23.408 24.210 1.00 0.00 H +ATOM 176 HB2 TYR A 10 -13.086 -21.904 22.774 1.00 0.00 H +ATOM 177 HB3 TYR A 10 -14.706 -22.168 22.128 1.00 0.00 H +ATOM 178 HD1 TYR A 10 -16.475 -21.781 24.377 1.00 0.00 H +ATOM 179 HD2 TYR A 10 -12.882 -19.653 23.373 1.00 0.00 H +ATOM 180 HE1 TYR A 10 -17.297 -19.804 25.628 1.00 0.00 H +ATOM 181 HE2 TYR A 10 -13.703 -17.676 24.624 1.00 0.00 H +ATOM 182 HH TYR A 10 -16.940 -17.649 26.097 1.00 0.00 H +ATOM 183 N VAL A 11 -14.768 -25.153 22.416 1.00 0.00 N +ATOM 184 CA VAL A 11 -14.415 -26.356 21.612 1.00 0.00 C +ATOM 185 C VAL A 11 -14.213 -25.952 20.151 1.00 0.00 C +ATOM 186 O VAL A 11 -14.909 -25.104 19.629 1.00 0.00 O +ATOM 187 CB VAL A 11 -15.544 -27.384 21.706 1.00 0.00 C +ATOM 188 CG1 VAL A 11 -15.109 -28.682 21.023 1.00 0.00 C +ATOM 189 CG2 VAL A 11 -15.860 -27.661 23.177 1.00 0.00 C +ATOM 190 H VAL A 11 -15.694 -24.831 22.435 1.00 0.00 H +ATOM 191 HA VAL A 11 -13.502 -26.789 21.995 1.00 0.00 H +ATOM 192 HB VAL A 11 -16.424 -26.996 21.215 1.00 0.00 H +ATOM 193 HG11 VAL A 11 -15.084 -29.480 21.751 1.00 0.00 H +ATOM 194 HG12 VAL A 11 -14.125 -28.553 20.597 1.00 0.00 H +ATOM 195 HG13 VAL A 11 -15.811 -28.930 20.241 1.00 0.00 H +ATOM 196 HG21 VAL A 11 -15.833 -26.735 23.731 1.00 0.00 H +ATOM 197 HG22 VAL A 11 -15.126 -28.343 23.580 1.00 0.00 H +ATOM 198 HG23 VAL A 11 -16.843 -28.100 23.257 1.00 0.00 H +ATOM 199 N VAL A 12 -13.264 -26.551 19.486 1.00 0.00 N +ATOM 200 CA VAL A 12 -13.018 -26.199 18.059 1.00 0.00 C +ATOM 201 C VAL A 12 -13.235 -27.435 17.184 1.00 0.00 C +ATOM 202 O VAL A 12 -12.719 -28.500 17.460 1.00 0.00 O +ATOM 203 CB VAL A 12 -11.579 -25.705 17.898 1.00 0.00 C +ATOM 204 CG1 VAL A 12 -11.348 -25.265 16.452 1.00 0.00 C +ATOM 205 CG2 VAL A 12 -11.339 -24.520 18.836 1.00 0.00 C +ATOM 206 H VAL A 12 -12.712 -27.232 19.925 1.00 0.00 H +ATOM 207 HA VAL A 12 -13.703 -25.420 17.758 1.00 0.00 H +ATOM 208 HB VAL A 12 -10.895 -26.503 18.145 1.00 0.00 H +ATOM 209 HG11 VAL A 12 -10.289 -25.253 16.244 1.00 0.00 H +ATOM 210 HG12 VAL A 12 -11.754 -24.275 16.307 1.00 0.00 H +ATOM 211 HG13 VAL A 12 -11.839 -25.956 15.782 1.00 0.00 H +ATOM 212 HG21 VAL A 12 -11.408 -23.599 18.277 1.00 0.00 H +ATOM 213 HG22 VAL A 12 -10.355 -24.602 19.275 1.00 0.00 H +ATOM 214 HG23 VAL A 12 -12.083 -24.523 19.619 1.00 0.00 H +ATOM 215 N GLN A 13 -13.994 -27.302 16.132 1.00 0.00 N +ATOM 216 CA GLN A 13 -14.243 -28.471 15.241 1.00 0.00 C +ATOM 217 C GLN A 13 -13.283 -28.419 14.052 1.00 0.00 C +ATOM 218 O GLN A 13 -13.177 -27.419 13.370 1.00 0.00 O +ATOM 219 CB GLN A 13 -15.686 -28.426 14.734 1.00 0.00 C +ATOM 220 CG GLN A 13 -16.039 -29.765 14.083 1.00 0.00 C +ATOM 221 CD GLN A 13 -17.518 -29.767 13.690 1.00 0.00 C +ATOM 222 OE1 GLN A 13 -18.213 -28.790 13.889 1.00 0.00 O +ATOM 223 NE2 GLN A 13 -18.033 -30.831 13.137 1.00 0.00 N +ATOM 224 H GLN A 13 -14.401 -26.435 15.927 1.00 0.00 H +ATOM 225 HA GLN A 13 -14.084 -29.385 15.793 1.00 0.00 H +ATOM 226 HB2 GLN A 13 -16.354 -28.242 15.562 1.00 0.00 H +ATOM 227 HB3 GLN A 13 -15.788 -27.635 14.006 1.00 0.00 H +ATOM 228 HG2 GLN A 13 -15.432 -29.908 13.201 1.00 0.00 H +ATOM 229 HG3 GLN A 13 -15.852 -30.566 14.783 1.00 0.00 H +ATOM 230 HE21 GLN A 13 -17.473 -31.619 12.976 1.00 0.00 H +ATOM 231 HE22 GLN A 13 -18.979 -30.843 12.882 1.00 0.00 H +ATOM 232 N ALA A 14 -12.581 -29.489 13.797 1.00 0.00 N +ATOM 233 CA ALA A 14 -11.628 -29.501 12.652 1.00 0.00 C +ATOM 234 C ALA A 14 -11.660 -30.873 11.977 1.00 0.00 C +ATOM 235 O ALA A 14 -12.153 -31.836 12.528 1.00 0.00 O +ATOM 236 CB ALA A 14 -10.214 -29.215 13.162 1.00 0.00 C +ATOM 237 H ALA A 14 -12.681 -30.286 14.359 1.00 0.00 H +ATOM 238 HA ALA A 14 -11.914 -28.742 11.939 1.00 0.00 H +ATOM 239 HB1 ALA A 14 -10.219 -28.307 13.747 1.00 0.00 H +ATOM 240 HB2 ALA A 14 -9.546 -29.098 12.321 1.00 0.00 H +ATOM 241 HB3 ALA A 14 -9.880 -30.038 13.776 1.00 0.00 H +ATOM 242 N PHE A 15 -11.137 -30.969 10.785 1.00 0.00 N +ATOM 243 CA PHE A 15 -11.138 -32.279 10.075 1.00 0.00 C +ATOM 244 C PHE A 15 -10.180 -33.242 10.779 1.00 0.00 C +ATOM 245 O PHE A 15 -9.154 -32.847 11.296 1.00 0.00 O +ATOM 246 CB PHE A 15 -10.685 -32.073 8.629 1.00 0.00 C +ATOM 247 CG PHE A 15 -11.677 -31.189 7.913 1.00 0.00 C +ATOM 248 CD1 PHE A 15 -12.835 -31.744 7.356 1.00 0.00 C +ATOM 249 CD2 PHE A 15 -11.438 -29.813 7.806 1.00 0.00 C +ATOM 250 CE1 PHE A 15 -13.756 -30.924 6.693 1.00 0.00 C +ATOM 251 CE2 PHE A 15 -12.359 -28.993 7.142 1.00 0.00 C +ATOM 252 CZ PHE A 15 -13.517 -29.548 6.586 1.00 0.00 C +ATOM 253 H PHE A 15 -10.744 -30.180 10.357 1.00 0.00 H +ATOM 254 HA PHE A 15 -12.135 -32.692 10.085 1.00 0.00 H +ATOM 255 HB2 PHE A 15 -9.711 -31.605 8.619 1.00 0.00 H +ATOM 256 HB3 PHE A 15 -10.629 -33.030 8.130 1.00 0.00 H +ATOM 257 HD1 PHE A 15 -13.019 -32.805 7.439 1.00 0.00 H +ATOM 258 HD2 PHE A 15 -10.545 -29.385 8.235 1.00 0.00 H +ATOM 259 HE1 PHE A 15 -14.649 -31.352 6.264 1.00 0.00 H +ATOM 260 HE2 PHE A 15 -12.175 -27.932 7.059 1.00 0.00 H +ATOM 261 HZ PHE A 15 -14.228 -28.916 6.074 1.00 0.00 H +ATOM 262 N SER A 16 -10.508 -34.505 10.804 1.00 0.00 N +ATOM 263 CA SER A 16 -9.618 -35.494 11.475 1.00 0.00 C +ATOM 264 C SER A 16 -8.298 -35.596 10.709 1.00 0.00 C +ATOM 265 O SER A 16 -8.250 -35.414 9.508 1.00 0.00 O +ATOM 266 CB SER A 16 -10.302 -36.862 11.498 1.00 0.00 C +ATOM 267 OG SER A 16 -10.238 -37.443 10.204 1.00 0.00 O +ATOM 268 H SER A 16 -11.341 -34.803 10.382 1.00 0.00 H +ATOM 269 HA SER A 16 -9.423 -35.173 12.488 1.00 0.00 H +ATOM 270 HB2 SER A 16 -9.799 -37.504 12.206 1.00 0.00 H +ATOM 271 HB3 SER A 16 -11.335 -36.744 11.789 1.00 0.00 H +ATOM 272 HG SER A 16 -10.173 -38.395 10.309 1.00 0.00 H +ATOM 273 N GLY A 17 -7.225 -35.886 11.393 1.00 0.00 N +ATOM 274 CA GLY A 17 -5.909 -36.000 10.703 1.00 0.00 C +ATOM 275 C GLY A 17 -5.217 -34.635 10.696 1.00 0.00 C +ATOM 276 O GLY A 17 -4.007 -34.542 10.760 1.00 0.00 O +ATOM 277 H GLY A 17 -7.285 -36.029 12.361 1.00 0.00 H +ATOM 278 HA2 GLY A 17 -5.290 -36.715 11.224 1.00 0.00 H +ATOM 279 HA3 GLY A 17 -6.063 -36.331 9.687 1.00 0.00 H +ATOM 280 N PHE A 18 -5.975 -33.576 10.618 1.00 0.00 N +ATOM 281 CA PHE A 18 -5.360 -32.219 10.607 1.00 0.00 C +ATOM 282 C PHE A 18 -5.662 -31.507 11.928 1.00 0.00 C +ATOM 283 O PHE A 18 -5.280 -30.371 12.132 1.00 0.00 O +ATOM 284 CB PHE A 18 -5.937 -31.409 9.444 1.00 0.00 C +ATOM 285 CG PHE A 18 -5.556 -32.063 8.137 1.00 0.00 C +ATOM 286 CD1 PHE A 18 -4.311 -31.794 7.556 1.00 0.00 C +ATOM 287 CD2 PHE A 18 -6.448 -32.939 7.507 1.00 0.00 C +ATOM 288 CE1 PHE A 18 -3.958 -32.401 6.345 1.00 0.00 C +ATOM 289 CE2 PHE A 18 -6.095 -33.546 6.296 1.00 0.00 C +ATOM 290 CZ PHE A 18 -4.850 -33.277 5.715 1.00 0.00 C +ATOM 291 H PHE A 18 -6.949 -33.673 10.567 1.00 0.00 H +ATOM 292 HA PHE A 18 -4.291 -32.311 10.484 1.00 0.00 H +ATOM 293 HB2 PHE A 18 -7.013 -31.374 9.529 1.00 0.00 H +ATOM 294 HB3 PHE A 18 -5.541 -30.405 9.473 1.00 0.00 H +ATOM 295 HD1 PHE A 18 -3.623 -31.118 8.042 1.00 0.00 H +ATOM 296 HD2 PHE A 18 -7.409 -33.146 7.955 1.00 0.00 H +ATOM 297 HE1 PHE A 18 -2.998 -32.193 5.897 1.00 0.00 H +ATOM 298 HE2 PHE A 18 -6.783 -34.221 5.809 1.00 0.00 H +ATOM 299 HZ PHE A 18 -4.578 -33.745 4.780 1.00 0.00 H +ATOM 300 N GLU A 19 -6.342 -32.163 12.828 1.00 0.00 N +ATOM 301 CA GLU A 19 -6.665 -31.520 14.133 1.00 0.00 C +ATOM 302 C GLU A 19 -5.378 -30.998 14.776 1.00 0.00 C +ATOM 303 O GLU A 19 -5.349 -29.928 15.350 1.00 0.00 O +ATOM 304 CB GLU A 19 -7.318 -32.546 15.061 1.00 0.00 C +ATOM 305 CG GLU A 19 -7.760 -31.856 16.354 1.00 0.00 C +ATOM 306 CD GLU A 19 -8.340 -32.896 17.314 1.00 0.00 C +ATOM 307 OE1 GLU A 19 -8.392 -34.056 16.940 1.00 0.00 O +ATOM 308 OE2 GLU A 19 -8.722 -32.514 18.409 1.00 0.00 O +ATOM 309 H GLU A 19 -6.641 -33.078 12.647 1.00 0.00 H +ATOM 310 HA GLU A 19 -7.344 -30.696 13.971 1.00 0.00 H +ATOM 311 HB2 GLU A 19 -8.179 -32.977 14.571 1.00 0.00 H +ATOM 312 HB3 GLU A 19 -6.608 -33.325 15.294 1.00 0.00 H +ATOM 313 HG2 GLU A 19 -6.909 -31.375 16.814 1.00 0.00 H +ATOM 314 HG3 GLU A 19 -8.512 -31.115 16.127 1.00 0.00 H +ATOM 315 N GLY A 20 -4.312 -31.745 14.683 1.00 0.00 N +ATOM 316 CA GLY A 20 -3.029 -31.290 15.287 1.00 0.00 C +ATOM 317 C GLY A 20 -2.538 -30.040 14.556 1.00 0.00 C +ATOM 318 O GLY A 20 -2.167 -29.057 15.166 1.00 0.00 O +ATOM 319 H GLY A 20 -4.356 -32.605 14.215 1.00 0.00 H +ATOM 320 HA2 GLY A 20 -3.184 -31.060 16.331 1.00 0.00 H +ATOM 321 HA3 GLY A 20 -2.290 -32.073 15.197 1.00 0.00 H +ATOM 322 N ARG A 21 -2.533 -30.068 13.251 1.00 0.00 N +ATOM 323 CA ARG A 21 -2.066 -28.881 12.481 1.00 0.00 C +ATOM 324 C ARG A 21 -2.999 -27.699 12.751 1.00 0.00 C +ATOM 325 O ARG A 21 -2.566 -26.571 12.881 1.00 0.00 O +ATOM 326 CB ARG A 21 -2.075 -29.206 10.986 1.00 0.00 C +ATOM 327 CG ARG A 21 -1.515 -28.017 10.203 1.00 0.00 C +ATOM 328 CD ARG A 21 -1.507 -28.347 8.709 1.00 0.00 C +ATOM 329 NE ARG A 21 -0.840 -27.245 7.961 1.00 0.00 N +ATOM 330 CZ ARG A 21 -0.374 -27.460 6.761 1.00 0.00 C +ATOM 331 NH1 ARG A 21 -1.157 -27.332 5.725 1.00 0.00 N +ATOM 332 NH2 ARG A 21 0.874 -27.803 6.597 1.00 0.00 N +ATOM 333 H ARG A 21 -2.836 -30.871 12.777 1.00 0.00 H +ATOM 334 HA ARG A 21 -1.063 -28.625 12.788 1.00 0.00 H +ATOM 335 HB2 ARG A 21 -1.463 -30.077 10.803 1.00 0.00 H +ATOM 336 HB3 ARG A 21 -3.087 -29.404 10.666 1.00 0.00 H +ATOM 337 HG2 ARG A 21 -2.133 -27.149 10.377 1.00 0.00 H +ATOM 338 HG3 ARG A 21 -0.507 -27.812 10.532 1.00 0.00 H +ATOM 339 HD2 ARG A 21 -0.970 -29.270 8.547 1.00 0.00 H +ATOM 340 HD3 ARG A 21 -2.523 -28.456 8.359 1.00 0.00 H +ATOM 341 HE ARG A 21 -0.751 -26.359 8.370 1.00 0.00 H +ATOM 342 HH11 ARG A 21 -2.114 -27.070 5.850 1.00 0.00 H +ATOM 343 HH12 ARG A 21 -0.800 -27.497 4.805 1.00 0.00 H +ATOM 344 HH21 ARG A 21 1.474 -27.901 7.391 1.00 0.00 H +ATOM 345 HH22 ARG A 21 1.231 -27.967 5.678 1.00 0.00 H +ATOM 346 N VAL A 22 -4.278 -27.947 12.837 1.00 0.00 N +ATOM 347 CA VAL A 22 -5.236 -26.836 13.099 1.00 0.00 C +ATOM 348 C VAL A 22 -4.783 -26.052 14.333 1.00 0.00 C +ATOM 349 O VAL A 22 -4.781 -24.838 14.342 1.00 0.00 O +ATOM 350 CB VAL A 22 -6.631 -27.412 13.346 1.00 0.00 C +ATOM 351 CG1 VAL A 22 -7.563 -26.300 13.832 1.00 0.00 C +ATOM 352 CG2 VAL A 22 -7.177 -28.002 12.044 1.00 0.00 C +ATOM 353 H VAL A 22 -4.607 -28.863 12.730 1.00 0.00 H +ATOM 354 HA VAL A 22 -5.264 -26.176 12.244 1.00 0.00 H +ATOM 355 HB VAL A 22 -6.574 -28.187 14.096 1.00 0.00 H +ATOM 356 HG11 VAL A 22 -7.134 -25.824 14.701 1.00 0.00 H +ATOM 357 HG12 VAL A 22 -8.523 -26.722 14.090 1.00 0.00 H +ATOM 358 HG13 VAL A 22 -7.691 -25.569 13.048 1.00 0.00 H +ATOM 359 HG21 VAL A 22 -7.301 -29.069 12.157 1.00 0.00 H +ATOM 360 HG22 VAL A 22 -6.484 -27.803 11.240 1.00 0.00 H +ATOM 361 HG23 VAL A 22 -8.132 -27.552 11.817 1.00 0.00 H +ATOM 362 N ALA A 23 -4.399 -26.739 15.374 1.00 0.00 N +ATOM 363 CA ALA A 23 -3.947 -26.033 16.606 1.00 0.00 C +ATOM 364 C ALA A 23 -2.727 -25.169 16.280 1.00 0.00 C +ATOM 365 O ALA A 23 -2.619 -24.040 16.717 1.00 0.00 O +ATOM 366 CB ALA A 23 -3.573 -27.061 17.675 1.00 0.00 C +ATOM 367 H ALA A 23 -4.408 -27.718 15.346 1.00 0.00 H +ATOM 368 HA ALA A 23 -4.745 -25.404 16.974 1.00 0.00 H +ATOM 369 HB1 ALA A 23 -3.525 -28.043 17.230 1.00 0.00 H +ATOM 370 HB2 ALA A 23 -4.318 -27.055 18.457 1.00 0.00 H +ATOM 371 HB3 ALA A 23 -2.610 -26.809 18.095 1.00 0.00 H +ATOM 372 N THR A 24 -1.807 -25.690 15.515 1.00 0.00 N +ATOM 373 CA THR A 24 -0.596 -24.898 15.162 1.00 0.00 C +ATOM 374 C THR A 24 -1.014 -23.642 14.396 1.00 0.00 C +ATOM 375 O THR A 24 -0.463 -22.576 14.584 1.00 0.00 O +ATOM 376 CB THR A 24 0.331 -25.745 14.287 1.00 0.00 C +ATOM 377 OG1 THR A 24 0.619 -26.968 14.950 1.00 0.00 O +ATOM 378 CG2 THR A 24 1.631 -24.983 14.030 1.00 0.00 C +ATOM 379 H THR A 24 -1.913 -26.602 15.173 1.00 0.00 H +ATOM 380 HA THR A 24 -0.076 -24.612 16.065 1.00 0.00 H +ATOM 381 HB THR A 24 -0.152 -25.951 13.344 1.00 0.00 H +ATOM 382 HG1 THR A 24 -0.214 -27.404 15.144 1.00 0.00 H +ATOM 383 HG21 THR A 24 1.436 -24.150 13.371 1.00 0.00 H +ATOM 384 HG22 THR A 24 2.352 -25.644 13.571 1.00 0.00 H +ATOM 385 HG23 THR A 24 2.025 -24.616 14.967 1.00 0.00 H +ATOM 386 N SER A 25 -1.986 -23.759 13.533 1.00 0.00 N +ATOM 387 CA SER A 25 -2.438 -22.571 12.755 1.00 0.00 C +ATOM 388 C SER A 25 -2.902 -21.477 13.720 1.00 0.00 C +ATOM 389 O SER A 25 -2.656 -20.306 13.509 1.00 0.00 O +ATOM 390 CB SER A 25 -3.598 -22.972 11.841 1.00 0.00 C +ATOM 391 OG SER A 25 -3.201 -24.062 11.023 1.00 0.00 O +ATOM 392 H SER A 25 -2.418 -24.628 13.396 1.00 0.00 H +ATOM 393 HA SER A 25 -1.620 -22.200 12.156 1.00 0.00 H +ATOM 394 HB2 SER A 25 -4.447 -23.263 12.443 1.00 0.00 H +ATOM 395 HB3 SER A 25 -3.871 -22.134 11.217 1.00 0.00 H +ATOM 396 HG SER A 25 -3.604 -24.859 11.375 1.00 0.00 H +ATOM 397 N LEU A 26 -3.571 -21.849 14.777 1.00 0.00 N +ATOM 398 CA LEU A 26 -4.049 -20.829 15.752 1.00 0.00 C +ATOM 399 C LEU A 26 -2.861 -20.002 16.249 1.00 0.00 C +ATOM 400 O LEU A 26 -2.916 -18.790 16.304 1.00 0.00 O +ATOM 401 CB LEU A 26 -4.714 -21.530 16.938 1.00 0.00 C +ATOM 402 CG LEU A 26 -5.909 -22.347 16.443 1.00 0.00 C +ATOM 403 CD1 LEU A 26 -6.681 -22.900 17.643 1.00 0.00 C +ATOM 404 CD2 LEU A 26 -6.830 -21.452 15.612 1.00 0.00 C +ATOM 405 H LEU A 26 -3.759 -22.798 14.929 1.00 0.00 H +ATOM 406 HA LEU A 26 -4.764 -20.178 15.271 1.00 0.00 H +ATOM 407 HB2 LEU A 26 -4.001 -22.186 17.415 1.00 0.00 H +ATOM 408 HB3 LEU A 26 -5.053 -20.791 17.649 1.00 0.00 H +ATOM 409 HG LEU A 26 -5.557 -23.166 15.834 1.00 0.00 H +ATOM 410 HD11 LEU A 26 -6.301 -23.878 17.897 1.00 0.00 H +ATOM 411 HD12 LEU A 26 -6.559 -22.236 18.487 1.00 0.00 H +ATOM 412 HD13 LEU A 26 -7.729 -22.975 17.393 1.00 0.00 H +ATOM 413 HD21 LEU A 26 -6.694 -21.671 14.563 1.00 0.00 H +ATOM 414 HD22 LEU A 26 -6.589 -20.416 15.798 1.00 0.00 H +ATOM 415 HD23 LEU A 26 -7.858 -21.638 15.889 1.00 0.00 H +ATOM 416 N ARG A 27 -1.787 -20.649 16.613 1.00 0.00 N +ATOM 417 CA ARG A 27 -0.598 -19.898 17.106 1.00 0.00 C +ATOM 418 C ARG A 27 -0.164 -18.880 16.050 1.00 0.00 C +ATOM 419 O ARG A 27 0.175 -17.755 16.361 1.00 0.00 O +ATOM 420 CB ARG A 27 0.548 -20.877 17.372 1.00 0.00 C +ATOM 421 CG ARG A 27 1.711 -20.133 18.031 1.00 0.00 C +ATOM 422 CD ARG A 27 2.874 -21.102 18.257 1.00 0.00 C +ATOM 423 NE ARG A 27 3.946 -20.419 19.034 1.00 0.00 N +ATOM 424 CZ ARG A 27 3.779 -20.181 20.306 1.00 0.00 C +ATOM 425 NH1 ARG A 27 3.307 -21.113 21.088 1.00 0.00 N +ATOM 426 NH2 ARG A 27 4.083 -19.010 20.795 1.00 0.00 N +ATOM 427 H ARG A 27 -1.763 -21.627 16.561 1.00 0.00 H +ATOM 428 HA ARG A 27 -0.851 -19.383 18.021 1.00 0.00 H +ATOM 429 HB2 ARG A 27 0.205 -21.662 18.029 1.00 0.00 H +ATOM 430 HB3 ARG A 27 0.879 -21.307 16.439 1.00 0.00 H +ATOM 431 HG2 ARG A 27 2.034 -19.327 17.388 1.00 0.00 H +ATOM 432 HG3 ARG A 27 1.390 -19.729 18.980 1.00 0.00 H +ATOM 433 HD2 ARG A 27 2.523 -21.963 18.806 1.00 0.00 H +ATOM 434 HD3 ARG A 27 3.267 -21.420 17.303 1.00 0.00 H +ATOM 435 HE ARG A 27 4.777 -20.150 18.590 1.00 0.00 H +ATOM 436 HH11 ARG A 27 3.073 -22.010 20.713 1.00 0.00 H +ATOM 437 HH12 ARG A 27 3.178 -20.930 22.063 1.00 0.00 H +ATOM 438 HH21 ARG A 27 4.444 -18.296 20.196 1.00 0.00 H +ATOM 439 HH22 ARG A 27 3.954 -18.827 21.770 1.00 0.00 H +ATOM 440 N GLU A 28 -0.170 -19.265 14.803 1.00 0.00 N +ATOM 441 CA GLU A 28 0.243 -18.319 13.729 1.00 0.00 C +ATOM 442 C GLU A 28 -0.776 -17.182 13.631 1.00 0.00 C +ATOM 443 O GLU A 28 -0.444 -16.023 13.782 1.00 0.00 O +ATOM 444 CB GLU A 28 0.310 -19.062 12.393 1.00 0.00 C +ATOM 445 CG GLU A 28 1.501 -20.022 12.403 1.00 0.00 C +ATOM 446 CD GLU A 28 1.657 -20.658 11.020 1.00 0.00 C +ATOM 447 OE1 GLU A 28 0.794 -20.435 10.187 1.00 0.00 O +ATOM 448 OE2 GLU A 28 2.635 -21.358 10.818 1.00 0.00 O +ATOM 449 H GLU A 28 -0.446 -20.177 14.574 1.00 0.00 H +ATOM 450 HA GLU A 28 1.215 -17.911 13.963 1.00 0.00 H +ATOM 451 HB2 GLU A 28 -0.602 -19.622 12.246 1.00 0.00 H +ATOM 452 HB3 GLU A 28 0.428 -18.350 11.590 1.00 0.00 H +ATOM 453 HG2 GLU A 28 2.400 -19.477 12.652 1.00 0.00 H +ATOM 454 HG3 GLU A 28 1.335 -20.795 13.138 1.00 0.00 H +ATOM 455 N HIS A 29 -2.016 -17.503 13.378 1.00 0.00 N +ATOM 456 CA HIS A 29 -3.054 -16.439 13.270 1.00 0.00 C +ATOM 457 C HIS A 29 -3.086 -15.623 14.565 1.00 0.00 C +ATOM 458 O HIS A 29 -3.070 -14.408 14.545 1.00 0.00 O +ATOM 459 CB HIS A 29 -4.423 -17.082 13.041 1.00 0.00 C +ATOM 460 CG HIS A 29 -4.328 -18.075 11.916 1.00 0.00 C +ATOM 461 ND1 HIS A 29 -4.069 -17.690 10.610 1.00 0.00 N +ATOM 462 CD2 HIS A 29 -4.456 -19.442 11.885 1.00 0.00 C +ATOM 463 CE1 HIS A 29 -4.048 -18.804 9.855 1.00 0.00 C +ATOM 464 NE2 HIS A 29 -4.279 -19.900 10.583 1.00 0.00 N +ATOM 465 H HIS A 29 -2.264 -18.443 13.259 1.00 0.00 H +ATOM 466 HA HIS A 29 -2.819 -15.788 12.441 1.00 0.00 H +ATOM 467 HB2 HIS A 29 -4.738 -17.588 13.942 1.00 0.00 H +ATOM 468 HB3 HIS A 29 -5.143 -16.318 12.788 1.00 0.00 H +ATOM 469 HD1 HIS A 29 -3.926 -16.774 10.294 1.00 0.00 H +ATOM 470 HD2 HIS A 29 -4.662 -20.066 12.742 1.00 0.00 H +ATOM 471 HE1 HIS A 29 -3.867 -18.811 8.791 1.00 0.00 H +ATOM 472 N ILE A 30 -3.131 -16.281 15.691 1.00 0.00 N +ATOM 473 CA ILE A 30 -3.165 -15.543 16.984 1.00 0.00 C +ATOM 474 C ILE A 30 -1.886 -14.715 17.132 1.00 0.00 C +ATOM 475 O ILE A 30 -1.928 -13.539 17.432 1.00 0.00 O +ATOM 476 CB ILE A 30 -3.263 -16.541 18.140 1.00 0.00 C +ATOM 477 CG1 ILE A 30 -4.555 -17.350 18.007 1.00 0.00 C +ATOM 478 CG2 ILE A 30 -3.271 -15.783 19.469 1.00 0.00 C +ATOM 479 CD1 ILE A 30 -4.530 -18.518 18.995 1.00 0.00 C +ATOM 480 H ILE A 30 -3.144 -17.261 15.685 1.00 0.00 H +ATOM 481 HA ILE A 30 -4.022 -14.886 17.002 1.00 0.00 H +ATOM 482 HB ILE A 30 -2.415 -17.209 18.111 1.00 0.00 H +ATOM 483 HG12 ILE A 30 -5.401 -16.715 18.222 1.00 0.00 H +ATOM 484 HG13 ILE A 30 -4.638 -17.733 17.000 1.00 0.00 H +ATOM 485 HG21 ILE A 30 -4.289 -15.664 19.809 1.00 0.00 H +ATOM 486 HG22 ILE A 30 -2.821 -14.811 19.331 1.00 0.00 H +ATOM 487 HG23 ILE A 30 -2.708 -16.339 20.204 1.00 0.00 H +ATOM 488 HD11 ILE A 30 -4.335 -18.144 19.990 1.00 0.00 H +ATOM 489 HD12 ILE A 30 -3.752 -19.212 18.713 1.00 0.00 H +ATOM 490 HD13 ILE A 30 -5.485 -19.022 18.981 1.00 0.00 H +ATOM 491 N LYS A 31 -0.750 -15.321 16.922 1.00 0.00 N +ATOM 492 CA LYS A 31 0.530 -14.569 17.051 1.00 0.00 C +ATOM 493 C LYS A 31 0.519 -13.375 16.093 1.00 0.00 C +ATOM 494 O LYS A 31 0.877 -12.273 16.456 1.00 0.00 O +ATOM 495 CB LYS A 31 1.700 -15.492 16.703 1.00 0.00 C +ATOM 496 CG LYS A 31 3.019 -14.753 16.935 1.00 0.00 C +ATOM 497 CD LYS A 31 4.186 -15.654 16.529 1.00 0.00 C +ATOM 498 CE LYS A 31 5.506 -14.990 16.929 1.00 0.00 C +ATOM 499 NZ LYS A 31 6.483 -15.113 15.811 1.00 0.00 N +ATOM 500 H LYS A 31 -0.738 -16.271 16.681 1.00 0.00 H +ATOM 501 HA LYS A 31 0.640 -14.215 18.065 1.00 0.00 H +ATOM 502 HB2 LYS A 31 1.664 -16.370 17.330 1.00 0.00 H +ATOM 503 HB3 LYS A 31 1.630 -15.786 15.666 1.00 0.00 H +ATOM 504 HG2 LYS A 31 3.036 -13.851 16.341 1.00 0.00 H +ATOM 505 HG3 LYS A 31 3.108 -14.497 17.981 1.00 0.00 H +ATOM 506 HD2 LYS A 31 4.097 -16.607 17.029 1.00 0.00 H +ATOM 507 HD3 LYS A 31 4.169 -15.805 15.460 1.00 0.00 H +ATOM 508 HE2 LYS A 31 5.333 -13.946 17.142 1.00 0.00 H +ATOM 509 HE3 LYS A 31 5.901 -15.477 17.808 1.00 0.00 H +ATOM 510 HZ1 LYS A 31 6.230 -14.448 15.054 1.00 0.00 H +ATOM 511 HZ2 LYS A 31 6.464 -16.086 15.440 1.00 0.00 H +ATOM 512 HZ3 LYS A 31 7.438 -14.893 16.158 1.00 0.00 H +ATOM 513 N LEU A 32 0.110 -13.586 14.871 1.00 0.00 N +ATOM 514 CA LEU A 32 0.077 -12.462 13.893 1.00 0.00 C +ATOM 515 C LEU A 32 -0.915 -11.400 14.371 1.00 0.00 C +ATOM 516 O LEU A 32 -0.611 -10.224 14.405 1.00 0.00 O +ATOM 517 CB LEU A 32 -0.359 -12.989 12.525 1.00 0.00 C +ATOM 518 CG LEU A 32 0.743 -13.880 11.946 1.00 0.00 C +ATOM 519 CD1 LEU A 32 0.362 -14.307 10.528 1.00 0.00 C +ATOM 520 CD2 LEU A 32 2.060 -13.101 11.908 1.00 0.00 C +ATOM 521 H LEU A 32 -0.175 -14.482 14.598 1.00 0.00 H +ATOM 522 HA LEU A 32 1.062 -12.025 13.814 1.00 0.00 H +ATOM 523 HB2 LEU A 32 -1.267 -13.564 12.633 1.00 0.00 H +ATOM 524 HB3 LEU A 32 -0.536 -12.158 11.858 1.00 0.00 H +ATOM 525 HG LEU A 32 0.861 -14.756 12.567 1.00 0.00 H +ATOM 526 HD11 LEU A 32 1.207 -14.168 9.870 1.00 0.00 H +ATOM 527 HD12 LEU A 32 0.076 -15.349 10.530 1.00 0.00 H +ATOM 528 HD13 LEU A 32 -0.467 -13.707 10.181 1.00 0.00 H +ATOM 529 HD21 LEU A 32 1.866 -12.056 12.102 1.00 0.00 H +ATOM 530 HD22 LEU A 32 2.513 -13.208 10.933 1.00 0.00 H +ATOM 531 HD23 LEU A 32 2.729 -13.489 12.661 1.00 0.00 H +ATOM 532 N HIS A 33 -2.100 -11.804 14.740 1.00 0.00 N +ATOM 533 CA HIS A 33 -3.110 -10.817 15.215 1.00 0.00 C +ATOM 534 C HIS A 33 -2.875 -10.518 16.698 1.00 0.00 C +ATOM 535 O HIS A 33 -3.641 -9.815 17.327 1.00 0.00 O +ATOM 536 CB HIS A 33 -4.514 -11.395 15.029 1.00 0.00 C +ATOM 537 CG HIS A 33 -4.778 -11.608 13.564 1.00 0.00 C +ATOM 538 ND1 HIS A 33 -5.145 -10.572 12.721 1.00 0.00 N +ATOM 539 CD2 HIS A 33 -4.731 -12.733 12.778 1.00 0.00 C +ATOM 540 CE1 HIS A 33 -5.304 -11.088 11.489 1.00 0.00 C +ATOM 541 NE2 HIS A 33 -5.064 -12.402 11.468 1.00 0.00 N +ATOM 542 H HIS A 33 -2.325 -12.757 14.705 1.00 0.00 H +ATOM 543 HA HIS A 33 -3.017 -9.905 14.645 1.00 0.00 H +ATOM 544 HB2 HIS A 33 -4.587 -12.338 15.550 1.00 0.00 H +ATOM 545 HB3 HIS A 33 -5.243 -10.706 15.430 1.00 0.00 H +ATOM 546 HD1 HIS A 33 -5.266 -9.633 12.976 1.00 0.00 H +ATOM 547 HD2 HIS A 33 -4.476 -13.724 13.124 1.00 0.00 H +ATOM 548 HE1 HIS A 33 -5.591 -10.511 10.623 1.00 0.00 H +ATOM 549 N ASN A 34 -1.824 -11.046 17.262 1.00 0.00 N +ATOM 550 CA ASN A 34 -1.547 -10.790 18.704 1.00 0.00 C +ATOM 551 C ASN A 34 -2.772 -11.181 19.532 1.00 0.00 C +ATOM 552 O ASN A 34 -3.203 -10.451 20.402 1.00 0.00 O +ATOM 553 CB ASN A 34 -1.243 -9.305 18.909 1.00 0.00 C +ATOM 554 CG ASN A 34 -0.514 -9.114 20.241 1.00 0.00 C +ATOM 555 OD1 ASN A 34 -0.074 -10.070 20.848 1.00 0.00 O +ATOM 556 ND2 ASN A 34 -0.365 -7.911 20.723 1.00 0.00 N +ATOM 557 H ASN A 34 -1.217 -11.611 16.740 1.00 0.00 H +ATOM 558 HA ASN A 34 -0.697 -11.379 19.017 1.00 0.00 H +ATOM 559 HB2 ASN A 34 -0.618 -8.950 18.103 1.00 0.00 H +ATOM 560 HB3 ASN A 34 -2.167 -8.747 18.922 1.00 0.00 H +ATOM 561 HD21 ASN A 34 -0.720 -7.139 20.233 1.00 0.00 H +ATOM 562 HD22 ASN A 34 0.100 -7.778 21.575 1.00 0.00 H +ATOM 563 N MET A 35 -3.337 -12.327 19.268 1.00 0.00 N +ATOM 564 CA MET A 35 -4.535 -12.763 20.039 1.00 0.00 C +ATOM 565 C MET A 35 -4.103 -13.692 21.176 1.00 0.00 C +ATOM 566 O MET A 35 -4.922 -14.228 21.895 1.00 0.00 O +ATOM 567 CB MET A 35 -5.495 -13.507 19.110 1.00 0.00 C +ATOM 568 CG MET A 35 -6.690 -12.609 18.787 1.00 0.00 C +ATOM 569 SD MET A 35 -6.768 -12.325 17.001 1.00 0.00 S +ATOM 570 CE MET A 35 -8.535 -11.948 16.909 1.00 0.00 C +ATOM 571 H MET A 35 -2.974 -12.901 18.561 1.00 0.00 H +ATOM 572 HA MET A 35 -5.032 -11.897 20.451 1.00 0.00 H +ATOM 573 HB2 MET A 35 -4.983 -13.767 18.195 1.00 0.00 H +ATOM 574 HB3 MET A 35 -5.842 -14.407 19.596 1.00 0.00 H +ATOM 575 HG2 MET A 35 -7.601 -13.088 19.115 1.00 0.00 H +ATOM 576 HG3 MET A 35 -6.578 -11.663 19.297 1.00 0.00 H +ATOM 577 HE1 MET A 35 -8.863 -12.012 15.880 1.00 0.00 H +ATOM 578 HE2 MET A 35 -8.712 -10.951 17.278 1.00 0.00 H +ATOM 579 HE3 MET A 35 -9.086 -12.656 17.513 1.00 0.00 H +ATOM 580 N GLU A 36 -2.824 -13.888 21.344 1.00 0.00 N +ATOM 581 CA GLU A 36 -2.346 -14.783 22.435 1.00 0.00 C +ATOM 582 C GLU A 36 -2.953 -14.333 23.765 1.00 0.00 C +ATOM 583 O GLU A 36 -3.270 -15.138 24.618 1.00 0.00 O +ATOM 584 CB GLU A 36 -0.820 -14.712 22.520 1.00 0.00 C +ATOM 585 CG GLU A 36 -0.213 -15.183 21.197 1.00 0.00 C +ATOM 586 CD GLU A 36 1.314 -15.140 21.293 1.00 0.00 C +ATOM 587 OE1 GLU A 36 1.812 -14.592 22.262 1.00 0.00 O +ATOM 588 OE2 GLU A 36 1.959 -15.656 20.395 1.00 0.00 O +ATOM 589 H GLU A 36 -2.178 -13.447 20.754 1.00 0.00 H +ATOM 590 HA GLU A 36 -2.648 -15.798 22.227 1.00 0.00 H +ATOM 591 HB2 GLU A 36 -0.517 -13.693 22.712 1.00 0.00 H +ATOM 592 HB3 GLU A 36 -0.474 -15.348 23.321 1.00 0.00 H +ATOM 593 HG2 GLU A 36 -0.532 -16.194 20.993 1.00 0.00 H +ATOM 594 HG3 GLU A 36 -0.541 -14.534 20.398 1.00 0.00 H +ATOM 595 N ASP A 37 -3.117 -13.051 23.950 1.00 0.00 N +ATOM 596 CA ASP A 37 -3.704 -12.552 25.225 1.00 0.00 C +ATOM 597 C ASP A 37 -5.047 -13.243 25.473 1.00 0.00 C +ATOM 598 O ASP A 37 -5.369 -13.613 26.584 1.00 0.00 O +ATOM 599 CB ASP A 37 -3.918 -11.040 25.131 1.00 0.00 C +ATOM 600 CG ASP A 37 -2.563 -10.331 25.154 1.00 0.00 C +ATOM 601 OD1 ASP A 37 -1.572 -10.998 25.405 1.00 0.00 O +ATOM 602 OD2 ASP A 37 -2.538 -9.134 24.922 1.00 0.00 O +ATOM 603 H ASP A 37 -2.855 -12.418 23.249 1.00 0.00 H +ATOM 604 HA ASP A 37 -3.031 -12.770 26.040 1.00 0.00 H +ATOM 605 HB2 ASP A 37 -4.432 -10.805 24.210 1.00 0.00 H +ATOM 606 HB3 ASP A 37 -4.513 -10.708 25.969 1.00 0.00 H +ATOM 607 N LEU A 38 -5.832 -13.421 24.445 1.00 0.00 N +ATOM 608 CA LEU A 38 -7.152 -14.089 24.624 1.00 0.00 C +ATOM 609 C LEU A 38 -6.935 -15.588 24.838 1.00 0.00 C +ATOM 610 O LEU A 38 -7.477 -16.180 25.750 1.00 0.00 O +ATOM 611 CB LEU A 38 -8.009 -13.873 23.375 1.00 0.00 C +ATOM 612 CG LEU A 38 -7.927 -12.406 22.944 1.00 0.00 C +ATOM 613 CD1 LEU A 38 -7.747 -12.329 21.427 1.00 0.00 C +ATOM 614 CD2 LEU A 38 -9.217 -11.685 23.342 1.00 0.00 C +ATOM 615 H LEU A 38 -5.553 -13.116 23.557 1.00 0.00 H +ATOM 616 HA LEU A 38 -7.654 -13.671 25.483 1.00 0.00 H +ATOM 617 HB2 LEU A 38 -7.646 -14.502 22.576 1.00 0.00 H +ATOM 618 HB3 LEU A 38 -9.036 -14.126 23.594 1.00 0.00 H +ATOM 619 HG LEU A 38 -7.086 -11.935 23.431 1.00 0.00 H +ATOM 620 HD11 LEU A 38 -8.181 -11.411 21.060 1.00 0.00 H +ATOM 621 HD12 LEU A 38 -8.240 -13.171 20.963 1.00 0.00 H +ATOM 622 HD13 LEU A 38 -6.695 -12.352 21.188 1.00 0.00 H +ATOM 623 HD21 LEU A 38 -10.054 -12.139 22.832 1.00 0.00 H +ATOM 624 HD22 LEU A 38 -9.147 -10.644 23.064 1.00 0.00 H +ATOM 625 HD23 LEU A 38 -9.359 -11.764 24.409 1.00 0.00 H +ATOM 626 N PHE A 39 -6.146 -16.205 24.002 1.00 0.00 N +ATOM 627 CA PHE A 39 -5.893 -17.665 24.155 1.00 0.00 C +ATOM 628 C PHE A 39 -5.035 -17.907 25.398 1.00 0.00 C +ATOM 629 O PHE A 39 -4.011 -17.281 25.589 1.00 0.00 O +ATOM 630 CB PHE A 39 -5.161 -18.188 22.918 1.00 0.00 C +ATOM 631 CG PHE A 39 -6.096 -18.159 21.733 1.00 0.00 C +ATOM 632 CD1 PHE A 39 -6.199 -17.002 20.951 1.00 0.00 C +ATOM 633 CD2 PHE A 39 -6.861 -19.288 21.417 1.00 0.00 C +ATOM 634 CE1 PHE A 39 -7.067 -16.974 19.853 1.00 0.00 C +ATOM 635 CE2 PHE A 39 -7.729 -19.260 20.319 1.00 0.00 C +ATOM 636 CZ PHE A 39 -7.832 -18.103 19.537 1.00 0.00 C +ATOM 637 H PHE A 39 -5.720 -15.707 23.273 1.00 0.00 H +ATOM 638 HA PHE A 39 -6.835 -18.184 24.262 1.00 0.00 H +ATOM 639 HB2 PHE A 39 -4.304 -17.563 22.716 1.00 0.00 H +ATOM 640 HB3 PHE A 39 -4.834 -19.202 23.094 1.00 0.00 H +ATOM 641 HD1 PHE A 39 -5.608 -16.131 21.194 1.00 0.00 H +ATOM 642 HD2 PHE A 39 -6.782 -20.180 22.020 1.00 0.00 H +ATOM 643 HE1 PHE A 39 -7.146 -16.082 19.249 1.00 0.00 H +ATOM 644 HE2 PHE A 39 -8.320 -20.131 20.075 1.00 0.00 H +ATOM 645 HZ PHE A 39 -8.502 -18.082 18.690 1.00 0.00 H +ATOM 646 N GLY A 40 -5.443 -18.811 26.245 1.00 0.00 N +ATOM 647 CA GLY A 40 -4.651 -19.091 27.475 1.00 0.00 C +ATOM 648 C GLY A 40 -3.947 -20.442 27.332 1.00 0.00 C +ATOM 649 O GLY A 40 -2.735 -20.524 27.326 1.00 0.00 O +ATOM 650 H GLY A 40 -6.272 -19.305 26.073 1.00 0.00 H +ATOM 651 HA2 GLY A 40 -3.913 -18.314 27.613 1.00 0.00 H +ATOM 652 HA3 GLY A 40 -5.310 -19.118 28.330 1.00 0.00 H +ATOM 653 N GLU A 41 -4.697 -21.505 27.220 1.00 0.00 N +ATOM 654 CA GLU A 41 -4.067 -22.847 27.079 1.00 0.00 C +ATOM 655 C GLU A 41 -4.870 -23.691 26.087 1.00 0.00 C +ATOM 656 O GLU A 41 -6.014 -24.024 26.323 1.00 0.00 O +ATOM 657 CB GLU A 41 -4.047 -23.545 28.441 1.00 0.00 C +ATOM 658 CG GLU A 41 -3.347 -24.898 28.310 1.00 0.00 C +ATOM 659 CD GLU A 41 -1.861 -24.676 28.022 1.00 0.00 C +ATOM 660 OE1 GLU A 41 -1.346 -23.649 28.433 1.00 0.00 O +ATOM 661 OE2 GLU A 41 -1.263 -25.536 27.397 1.00 0.00 O +ATOM 662 H GLU A 41 -5.674 -21.419 27.228 1.00 0.00 H +ATOM 663 HA GLU A 41 -3.055 -22.734 26.719 1.00 0.00 H +ATOM 664 HB2 GLU A 41 -3.514 -22.931 29.152 1.00 0.00 H +ATOM 665 HB3 GLU A 41 -5.061 -23.695 28.783 1.00 0.00 H +ATOM 666 HG2 GLU A 41 -3.457 -25.452 29.231 1.00 0.00 H +ATOM 667 HG3 GLU A 41 -3.791 -25.456 27.499 1.00 0.00 H +ATOM 668 N VAL A 42 -4.278 -24.042 24.977 1.00 0.00 N +ATOM 669 CA VAL A 42 -5.006 -24.867 23.972 1.00 0.00 C +ATOM 670 C VAL A 42 -4.782 -26.350 24.274 1.00 0.00 C +ATOM 671 O VAL A 42 -3.736 -26.745 24.750 1.00 0.00 O +ATOM 672 CB VAL A 42 -4.482 -24.545 22.571 1.00 0.00 C +ATOM 673 CG1 VAL A 42 -3.048 -25.059 22.433 1.00 0.00 C +ATOM 674 CG2 VAL A 42 -5.370 -25.225 21.526 1.00 0.00 C +ATOM 675 H VAL A 42 -3.354 -23.765 24.806 1.00 0.00 H +ATOM 676 HA VAL A 42 -6.062 -24.645 24.022 1.00 0.00 H +ATOM 677 HB VAL A 42 -4.499 -23.476 22.417 1.00 0.00 H +ATOM 678 HG11 VAL A 42 -2.575 -25.070 23.404 1.00 0.00 H +ATOM 679 HG12 VAL A 42 -2.495 -24.408 21.772 1.00 0.00 H +ATOM 680 HG13 VAL A 42 -3.061 -26.059 22.027 1.00 0.00 H +ATOM 681 HG21 VAL A 42 -5.983 -25.973 22.006 1.00 0.00 H +ATOM 682 HG22 VAL A 42 -4.749 -25.694 20.777 1.00 0.00 H +ATOM 683 HG23 VAL A 42 -6.003 -24.486 21.057 1.00 0.00 H +ATOM 684 N MET A 43 -5.755 -27.175 24.001 1.00 0.00 N +ATOM 685 CA MET A 43 -5.596 -28.631 24.274 1.00 0.00 C +ATOM 686 C MET A 43 -5.567 -29.401 22.952 1.00 0.00 C +ATOM 687 O MET A 43 -6.183 -29.009 21.981 1.00 0.00 O +ATOM 688 CB MET A 43 -6.769 -29.122 25.124 1.00 0.00 C +ATOM 689 CG MET A 43 -6.582 -28.657 26.570 1.00 0.00 C +ATOM 690 SD MET A 43 -7.773 -29.504 27.637 1.00 0.00 S +ATOM 691 CE MET A 43 -7.492 -28.510 29.123 1.00 0.00 C +ATOM 692 H MET A 43 -6.592 -26.837 23.618 1.00 0.00 H +ATOM 693 HA MET A 43 -4.671 -28.798 24.808 1.00 0.00 H +ATOM 694 HB2 MET A 43 -7.691 -28.718 24.733 1.00 0.00 H +ATOM 695 HB3 MET A 43 -6.808 -30.201 25.096 1.00 0.00 H +ATOM 696 HG2 MET A 43 -5.578 -28.889 26.895 1.00 0.00 H +ATOM 697 HG3 MET A 43 -6.741 -27.590 26.628 1.00 0.00 H +ATOM 698 HE1 MET A 43 -6.863 -29.061 29.809 1.00 0.00 H +ATOM 699 HE2 MET A 43 -8.435 -28.294 29.597 1.00 0.00 H +ATOM 700 HE3 MET A 43 -7.008 -27.583 28.848 1.00 0.00 H +ATOM 701 N VAL A 44 -4.857 -30.494 22.909 1.00 0.00 N +ATOM 702 CA VAL A 44 -4.788 -31.292 21.652 1.00 0.00 C +ATOM 703 C VAL A 44 -4.955 -32.776 21.986 1.00 0.00 C +ATOM 704 O VAL A 44 -4.010 -33.453 22.339 1.00 0.00 O +ATOM 705 CB VAL A 44 -3.432 -31.062 20.977 1.00 0.00 C +ATOM 706 CG1 VAL A 44 -3.201 -32.129 19.906 1.00 0.00 C +ATOM 707 CG2 VAL A 44 -3.417 -29.677 20.326 1.00 0.00 C +ATOM 708 H VAL A 44 -4.368 -30.793 23.704 1.00 0.00 H +ATOM 709 HA VAL A 44 -5.580 -30.982 20.985 1.00 0.00 H +ATOM 710 HB VAL A 44 -2.648 -31.119 21.718 1.00 0.00 H +ATOM 711 HG11 VAL A 44 -2.860 -31.659 18.995 1.00 0.00 H +ATOM 712 HG12 VAL A 44 -4.125 -32.655 19.716 1.00 0.00 H +ATOM 713 HG13 VAL A 44 -2.453 -32.828 20.251 1.00 0.00 H +ATOM 714 HG21 VAL A 44 -2.397 -29.387 20.121 1.00 0.00 H +ATOM 715 HG22 VAL A 44 -3.974 -29.708 19.401 1.00 0.00 H +ATOM 716 HG23 VAL A 44 -3.868 -28.959 20.995 1.00 0.00 H +ATOM 717 N PRO A 45 -6.191 -33.286 21.873 1.00 0.00 N +ATOM 718 CA PRO A 45 -6.500 -34.692 22.164 1.00 0.00 C +ATOM 719 C PRO A 45 -5.928 -35.637 21.102 1.00 0.00 C +ATOM 720 O PRO A 45 -6.036 -36.842 21.209 1.00 0.00 O +ATOM 721 CB PRO A 45 -8.027 -34.736 22.132 1.00 0.00 C +ATOM 722 CG PRO A 45 -8.420 -33.597 21.251 1.00 0.00 C +ATOM 723 CD PRO A 45 -7.382 -32.528 21.451 1.00 0.00 C +ATOM 724 HA PRO A 45 -6.159 -34.992 23.142 1.00 0.00 H +ATOM 725 HB2 PRO A 45 -8.353 -35.682 21.727 1.00 0.00 H +ATOM 726 HB3 PRO A 45 -8.414 -34.617 23.133 1.00 0.00 H +ATOM 727 HG2 PRO A 45 -8.438 -33.923 20.222 1.00 0.00 H +ATOM 728 HG3 PRO A 45 -9.397 -33.237 21.537 1.00 0.00 H +ATOM 729 HD2 PRO A 45 -7.206 -31.996 20.528 1.00 0.00 H +ATOM 730 HD3 PRO A 45 -7.699 -31.832 22.214 1.00 0.00 H +ATOM 731 N THR A 46 -5.323 -35.100 20.078 1.00 0.00 N +ATOM 732 CA THR A 46 -4.749 -35.970 19.013 1.00 0.00 C +ATOM 733 C THR A 46 -3.256 -35.672 18.859 1.00 0.00 C +ATOM 734 O THR A 46 -2.796 -34.589 19.160 1.00 0.00 O +ATOM 735 CB THR A 46 -5.464 -35.694 17.689 1.00 0.00 C +ATOM 736 OG1 THR A 46 -4.964 -36.573 16.690 1.00 0.00 O +ATOM 737 CG2 THR A 46 -5.216 -34.245 17.266 1.00 0.00 C +ATOM 738 H THR A 46 -5.248 -34.125 20.009 1.00 0.00 H +ATOM 739 HA THR A 46 -4.883 -37.007 19.285 1.00 0.00 H +ATOM 740 HB THR A 46 -6.524 -35.852 17.811 1.00 0.00 H +ATOM 741 HG1 THR A 46 -4.113 -36.238 16.398 1.00 0.00 H +ATOM 742 HG21 THR A 46 -4.633 -34.229 16.357 1.00 0.00 H +ATOM 743 HG22 THR A 46 -4.679 -33.729 18.048 1.00 0.00 H +ATOM 744 HG23 THR A 46 -6.163 -33.753 17.095 1.00 0.00 H +ATOM 745 N GLU A 47 -2.496 -36.625 18.393 1.00 0.00 N +ATOM 746 CA GLU A 47 -1.034 -36.394 18.220 1.00 0.00 C +ATOM 747 C GLU A 47 -0.722 -36.180 16.737 1.00 0.00 C +ATOM 748 O GLU A 47 -1.383 -36.717 15.870 1.00 0.00 O +ATOM 749 CB GLU A 47 -0.261 -37.611 18.733 1.00 0.00 C +ATOM 750 CG GLU A 47 -0.581 -37.829 20.214 1.00 0.00 C +ATOM 751 CD GLU A 47 0.262 -38.987 20.752 1.00 0.00 C +ATOM 752 OE1 GLU A 47 0.908 -39.645 19.953 1.00 0.00 O +ATOM 753 OE2 GLU A 47 0.248 -39.195 21.954 1.00 0.00 O +ATOM 754 H GLU A 47 -2.887 -37.492 18.156 1.00 0.00 H +ATOM 755 HA GLU A 47 -0.739 -35.519 18.779 1.00 0.00 H +ATOM 756 HB2 GLU A 47 -0.550 -38.485 18.170 1.00 0.00 H +ATOM 757 HB3 GLU A 47 0.799 -37.440 18.615 1.00 0.00 H +ATOM 758 HG2 GLU A 47 -0.354 -36.930 20.767 1.00 0.00 H +ATOM 759 HG3 GLU A 47 -1.629 -38.065 20.325 1.00 0.00 H +ATOM 760 N GLU A 48 0.279 -35.398 16.439 1.00 0.00 N +ATOM 761 CA GLU A 48 0.631 -35.149 15.013 1.00 0.00 C +ATOM 762 C GLU A 48 0.986 -36.475 14.335 1.00 0.00 C +ATOM 763 O GLU A 48 0.819 -36.637 13.143 1.00 0.00 O +ATOM 764 CB GLU A 48 1.831 -34.203 14.942 1.00 0.00 C +ATOM 765 CG GLU A 48 1.449 -32.849 15.543 1.00 0.00 C +ATOM 766 CD GLU A 48 2.643 -31.896 15.451 1.00 0.00 C +ATOM 767 OE1 GLU A 48 3.719 -32.357 15.107 1.00 0.00 O +ATOM 768 OE2 GLU A 48 2.461 -30.722 15.728 1.00 0.00 O +ATOM 769 H GLU A 48 0.799 -34.974 17.154 1.00 0.00 H +ATOM 770 HA GLU A 48 -0.211 -34.701 14.508 1.00 0.00 H +ATOM 771 HB2 GLU A 48 2.655 -34.624 15.499 1.00 0.00 H +ATOM 772 HB3 GLU A 48 2.124 -34.070 13.911 1.00 0.00 H +ATOM 773 HG2 GLU A 48 0.616 -32.434 14.995 1.00 0.00 H +ATOM 774 HG3 GLU A 48 1.171 -32.979 16.578 1.00 0.00 H +ATOM 775 N VAL A 49 1.475 -37.424 15.086 1.00 0.00 N +ATOM 776 CA VAL A 49 1.839 -38.737 14.482 1.00 0.00 C +ATOM 777 C VAL A 49 1.019 -39.848 15.142 1.00 0.00 C +ATOM 778 O VAL A 49 0.308 -39.621 16.101 1.00 0.00 O +ATOM 779 CB VAL A 49 3.329 -39.004 14.702 1.00 0.00 C +ATOM 780 CG1 VAL A 49 4.148 -37.868 14.086 1.00 0.00 C +ATOM 781 CG2 VAL A 49 3.617 -39.084 16.203 1.00 0.00 C +ATOM 782 H VAL A 49 1.602 -37.274 16.046 1.00 0.00 H +ATOM 783 HA VAL A 49 1.629 -38.717 13.423 1.00 0.00 H +ATOM 784 HB VAL A 49 3.601 -39.939 14.233 1.00 0.00 H +ATOM 785 HG11 VAL A 49 4.606 -38.210 13.171 1.00 0.00 H +ATOM 786 HG12 VAL A 49 4.916 -37.560 14.781 1.00 0.00 H +ATOM 787 HG13 VAL A 49 3.499 -37.032 13.873 1.00 0.00 H +ATOM 788 HG21 VAL A 49 4.533 -38.556 16.422 1.00 0.00 H +ATOM 789 HG22 VAL A 49 3.719 -40.119 16.495 1.00 0.00 H +ATOM 790 HG23 VAL A 49 2.802 -38.634 16.750 1.00 0.00 H +ATOM 791 N VAL A 50 1.113 -41.047 14.637 1.00 0.00 N +ATOM 792 CA VAL A 50 0.341 -42.171 15.236 1.00 0.00 C +ATOM 793 C VAL A 50 1.310 -43.217 15.790 1.00 0.00 C +ATOM 794 O VAL A 50 2.439 -43.323 15.354 1.00 0.00 O +ATOM 795 CB VAL A 50 -0.543 -42.811 14.164 1.00 0.00 C +ATOM 796 CG1 VAL A 50 -1.442 -41.743 13.539 1.00 0.00 C +ATOM 797 CG2 VAL A 50 0.340 -43.433 13.079 1.00 0.00 C +ATOM 798 H VAL A 50 1.693 -41.208 13.864 1.00 0.00 H +ATOM 799 HA VAL A 50 -0.279 -41.795 16.037 1.00 0.00 H +ATOM 800 HB VAL A 50 -1.155 -43.579 14.613 1.00 0.00 H +ATOM 801 HG11 VAL A 50 -1.365 -41.792 12.463 1.00 0.00 H +ATOM 802 HG12 VAL A 50 -1.131 -40.766 13.878 1.00 0.00 H +ATOM 803 HG13 VAL A 50 -2.467 -41.917 13.835 1.00 0.00 H +ATOM 804 HG21 VAL A 50 0.970 -44.192 13.519 1.00 0.00 H +ATOM 805 HG22 VAL A 50 0.956 -42.666 12.634 1.00 0.00 H +ATOM 806 HG23 VAL A 50 -0.285 -43.879 12.319 1.00 0.00 H +ATOM 807 N GLU A 51 0.878 -43.991 16.747 1.00 0.00 N +ATOM 808 CA GLU A 51 1.776 -45.030 17.327 1.00 0.00 C +ATOM 809 C GLU A 51 1.566 -46.354 16.590 1.00 0.00 C +ATOM 810 O GLU A 51 0.468 -46.688 16.193 1.00 0.00 O +ATOM 811 CB GLU A 51 1.451 -45.214 18.811 1.00 0.00 C +ATOM 812 CG GLU A 51 2.529 -46.080 19.464 1.00 0.00 C +ATOM 813 CD GLU A 51 2.154 -46.350 20.923 1.00 0.00 C +ATOM 814 OE1 GLU A 51 1.123 -45.855 21.350 1.00 0.00 O +ATOM 815 OE2 GLU A 51 2.903 -47.046 21.588 1.00 0.00 O +ATOM 816 H GLU A 51 -0.036 -43.890 17.085 1.00 0.00 H +ATOM 817 HA GLU A 51 2.804 -44.717 17.220 1.00 0.00 H +ATOM 818 HB2 GLU A 51 1.420 -44.250 19.295 1.00 0.00 H +ATOM 819 HB3 GLU A 51 0.490 -45.699 18.911 1.00 0.00 H +ATOM 820 HG2 GLU A 51 2.609 -47.018 18.934 1.00 0.00 H +ATOM 821 HG3 GLU A 51 3.477 -45.564 19.426 1.00 0.00 H +ATOM 822 N ILE A 52 2.612 -47.111 16.404 1.00 0.00 N +ATOM 823 CA ILE A 52 2.472 -48.413 15.693 1.00 0.00 C +ATOM 824 C ILE A 52 1.467 -49.294 16.438 1.00 0.00 C +ATOM 825 O ILE A 52 0.670 -49.987 15.837 1.00 0.00 O +ATOM 826 CB ILE A 52 3.829 -49.117 15.644 1.00 0.00 C +ATOM 827 CG1 ILE A 52 4.833 -48.239 14.894 1.00 0.00 C +ATOM 828 CG2 ILE A 52 3.682 -50.456 14.918 1.00 0.00 C +ATOM 829 CD1 ILE A 52 6.230 -48.855 15.003 1.00 0.00 C +ATOM 830 H ILE A 52 3.490 -46.824 16.732 1.00 0.00 H +ATOM 831 HA ILE A 52 2.120 -48.237 14.687 1.00 0.00 H +ATOM 832 HB ILE A 52 4.182 -49.289 16.650 1.00 0.00 H +ATOM 833 HG12 ILE A 52 4.549 -48.173 13.855 1.00 0.00 H +ATOM 834 HG13 ILE A 52 4.842 -47.250 15.329 1.00 0.00 H +ATOM 835 HG21 ILE A 52 4.123 -50.383 13.935 1.00 0.00 H +ATOM 836 HG22 ILE A 52 2.634 -50.702 14.826 1.00 0.00 H +ATOM 837 HG23 ILE A 52 4.185 -51.228 15.482 1.00 0.00 H +ATOM 838 HD11 ILE A 52 6.511 -49.279 14.050 1.00 0.00 H +ATOM 839 HD12 ILE A 52 6.224 -49.630 15.755 1.00 0.00 H +ATOM 840 HD13 ILE A 52 6.940 -48.090 15.280 1.00 0.00 H +ATOM 841 N ARG A 53 1.497 -49.273 17.742 1.00 0.00 N +ATOM 842 CA ARG A 53 0.543 -50.109 18.524 1.00 0.00 C +ATOM 843 C ARG A 53 -0.891 -49.739 18.139 1.00 0.00 C +ATOM 844 O ARG A 53 -1.189 -48.602 17.834 1.00 0.00 O +ATOM 845 CB ARG A 53 0.751 -49.857 20.018 1.00 0.00 C +ATOM 846 CG ARG A 53 -0.084 -50.853 20.825 1.00 0.00 C +ATOM 847 CD ARG A 53 0.060 -50.548 22.317 1.00 0.00 C +ATOM 848 NE ARG A 53 1.495 -50.645 22.707 1.00 0.00 N +ATOM 849 CZ ARG A 53 1.862 -50.352 23.925 1.00 0.00 C +ATOM 850 NH1 ARG A 53 1.662 -49.151 24.395 1.00 0.00 N +ATOM 851 NH2 ARG A 53 2.428 -51.260 24.672 1.00 0.00 N +ATOM 852 H ARG A 53 2.147 -48.706 18.208 1.00 0.00 H +ATOM 853 HA ARG A 53 0.717 -51.152 18.306 1.00 0.00 H +ATOM 854 HB2 ARG A 53 1.796 -49.982 20.262 1.00 0.00 H +ATOM 855 HB3 ARG A 53 0.443 -48.850 20.260 1.00 0.00 H +ATOM 856 HG2 ARG A 53 -1.122 -50.768 20.539 1.00 0.00 H +ATOM 857 HG3 ARG A 53 0.263 -51.857 20.628 1.00 0.00 H +ATOM 858 HD2 ARG A 53 -0.301 -49.550 22.517 1.00 0.00 H +ATOM 859 HD3 ARG A 53 -0.517 -51.261 22.888 1.00 0.00 H +ATOM 860 HE ARG A 53 2.163 -50.930 22.050 1.00 0.00 H +ATOM 861 HH11 ARG A 53 1.229 -48.455 23.823 1.00 0.00 H +ATOM 862 HH12 ARG A 53 1.944 -48.926 25.328 1.00 0.00 H +ATOM 863 HH21 ARG A 53 2.580 -52.180 24.312 1.00 0.00 H +ATOM 864 HH22 ARG A 53 2.709 -51.035 25.605 1.00 0.00 H +ATOM 865 N GLY A 54 -1.782 -50.692 18.151 1.00 0.00 N +ATOM 866 CA GLY A 54 -3.196 -50.395 17.786 1.00 0.00 C +ATOM 867 C GLY A 54 -4.132 -51.281 18.610 1.00 0.00 C +ATOM 868 O GLY A 54 -3.701 -52.029 19.465 1.00 0.00 O +ATOM 869 H GLY A 54 -1.522 -51.604 18.400 1.00 0.00 H +ATOM 870 HA2 GLY A 54 -3.410 -49.356 17.990 1.00 0.00 H +ATOM 871 HA3 GLY A 54 -3.346 -50.593 16.734 1.00 0.00 H +ATOM 872 N GLY A 55 -5.410 -51.203 18.360 1.00 0.00 N +ATOM 873 CA GLY A 55 -6.372 -52.041 19.130 1.00 0.00 C +ATOM 874 C GLY A 55 -5.959 -53.511 19.029 1.00 0.00 C +ATOM 875 O GLY A 55 -5.520 -53.972 17.994 1.00 0.00 O +ATOM 876 H GLY A 55 -5.738 -50.593 17.666 1.00 0.00 H +ATOM 877 HA2 GLY A 55 -6.367 -51.736 20.166 1.00 0.00 H +ATOM 878 HA3 GLY A 55 -7.364 -51.917 18.723 1.00 0.00 H +ATOM 879 N GLN A 56 -6.096 -54.251 20.095 1.00 0.00 N +ATOM 880 CA GLN A 56 -5.711 -55.689 20.057 1.00 0.00 C +ATOM 881 C GLN A 56 -6.571 -56.421 19.024 1.00 0.00 C +ATOM 882 O GLN A 56 -6.109 -57.308 18.335 1.00 0.00 O +ATOM 883 CB GLN A 56 -5.930 -56.313 21.437 1.00 0.00 C +ATOM 884 CG GLN A 56 -5.024 -55.621 22.458 1.00 0.00 C +ATOM 885 CD GLN A 56 -3.563 -55.775 22.031 1.00 0.00 C +ATOM 886 OE1 GLN A 56 -3.121 -56.862 21.716 1.00 0.00 O +ATOM 887 NE2 GLN A 56 -2.789 -54.724 22.007 1.00 0.00 N +ATOM 888 H GLN A 56 -6.452 -53.860 20.921 1.00 0.00 H +ATOM 889 HA GLN A 56 -4.670 -55.776 19.785 1.00 0.00 H +ATOM 890 HB2 GLN A 56 -6.962 -56.188 21.729 1.00 0.00 H +ATOM 891 HB3 GLN A 56 -5.691 -57.365 21.399 1.00 0.00 H +ATOM 892 HG2 GLN A 56 -5.276 -54.572 22.510 1.00 0.00 H +ATOM 893 HG3 GLN A 56 -5.165 -56.073 23.429 1.00 0.00 H +ATOM 894 HE21 GLN A 56 -3.146 -53.847 22.262 1.00 0.00 H +ATOM 895 HE22 GLN A 56 -1.852 -54.812 21.735 1.00 0.00 H +ATOM 896 N ARG A 57 -7.818 -56.055 18.911 1.00 0.00 N +ATOM 897 CA ARG A 57 -8.705 -56.730 17.921 1.00 0.00 C +ATOM 898 C ARG A 57 -9.380 -55.677 17.041 1.00 0.00 C +ATOM 899 O ARG A 57 -9.704 -54.595 17.488 1.00 0.00 O +ATOM 900 CB ARG A 57 -9.774 -57.537 18.660 1.00 0.00 C +ATOM 901 CG ARG A 57 -9.106 -58.654 19.465 1.00 0.00 C +ATOM 902 CD ARG A 57 -10.182 -59.540 20.096 1.00 0.00 C +ATOM 903 NE ARG A 57 -11.101 -58.700 20.914 1.00 0.00 N +ATOM 904 CZ ARG A 57 -12.149 -59.237 21.476 1.00 0.00 C +ATOM 905 NH1 ARG A 57 -12.007 -60.011 22.517 1.00 0.00 N +ATOM 906 NH2 ARG A 57 -13.340 -58.998 20.998 1.00 0.00 N +ATOM 907 H ARG A 57 -8.172 -55.337 19.476 1.00 0.00 H +ATOM 908 HA ARG A 57 -8.117 -57.393 17.304 1.00 0.00 H +ATOM 909 HB2 ARG A 57 -10.318 -56.887 19.330 1.00 0.00 H +ATOM 910 HB3 ARG A 57 -10.458 -57.969 17.944 1.00 0.00 H +ATOM 911 HG2 ARG A 57 -8.487 -59.249 18.810 1.00 0.00 H +ATOM 912 HG3 ARG A 57 -8.495 -58.221 20.243 1.00 0.00 H +ATOM 913 HD2 ARG A 57 -10.744 -60.034 19.316 1.00 0.00 H +ATOM 914 HD3 ARG A 57 -9.714 -60.281 20.726 1.00 0.00 H +ATOM 915 HE ARG A 57 -10.918 -57.744 21.030 1.00 0.00 H +ATOM 916 HH11 ARG A 57 -11.095 -60.194 22.883 1.00 0.00 H +ATOM 917 HH12 ARG A 57 -12.811 -60.422 22.947 1.00 0.00 H +ATOM 918 HH21 ARG A 57 -13.449 -58.405 20.200 1.00 0.00 H +ATOM 919 HH22 ARG A 57 -14.143 -59.410 21.428 1.00 0.00 H +ATOM 920 N ARG A 58 -9.596 -55.986 15.791 1.00 0.00 N +ATOM 921 CA ARG A 58 -10.251 -55.003 14.883 1.00 0.00 C +ATOM 922 C ARG A 58 -11.653 -54.681 15.405 1.00 0.00 C +ATOM 923 O ARG A 58 -12.124 -53.566 15.299 1.00 0.00 O +ATOM 924 CB ARG A 58 -10.354 -55.598 13.477 1.00 0.00 C +ATOM 925 CG ARG A 58 -8.951 -55.908 12.952 1.00 0.00 C +ATOM 926 CD ARG A 58 -9.049 -56.455 11.526 1.00 0.00 C +ATOM 927 NE ARG A 58 -7.729 -57.009 11.114 1.00 0.00 N +ATOM 928 CZ ARG A 58 -7.054 -56.441 10.152 1.00 0.00 C +ATOM 929 NH1 ARG A 58 -7.552 -56.394 8.946 1.00 0.00 N +ATOM 930 NH2 ARG A 58 -5.883 -55.920 10.395 1.00 0.00 N +ATOM 931 H ARG A 58 -9.328 -56.865 15.450 1.00 0.00 H +ATOM 932 HA ARG A 58 -9.663 -54.098 14.849 1.00 0.00 H +ATOM 933 HB2 ARG A 58 -10.934 -56.508 13.513 1.00 0.00 H +ATOM 934 HB3 ARG A 58 -10.836 -54.889 12.821 1.00 0.00 H +ATOM 935 HG2 ARG A 58 -8.358 -55.005 12.951 1.00 0.00 H +ATOM 936 HG3 ARG A 58 -8.482 -56.645 13.588 1.00 0.00 H +ATOM 937 HD2 ARG A 58 -9.794 -57.236 11.491 1.00 0.00 H +ATOM 938 HD3 ARG A 58 -9.331 -55.658 10.854 1.00 0.00 H +ATOM 939 HE ARG A 58 -7.367 -57.800 11.566 1.00 0.00 H +ATOM 940 HH11 ARG A 58 -8.449 -56.793 8.760 1.00 0.00 H +ATOM 941 HH12 ARG A 58 -7.035 -55.959 8.209 1.00 0.00 H +ATOM 942 HH21 ARG A 58 -5.502 -55.956 11.319 1.00 0.00 H +ATOM 943 HH22 ARG A 58 -5.366 -55.485 9.658 1.00 0.00 H +ATOM 944 N LYS A 59 -12.323 -55.648 15.969 1.00 0.00 N +ATOM 945 CA LYS A 59 -13.694 -55.396 16.498 1.00 0.00 C +ATOM 946 C LYS A 59 -13.630 -54.332 17.596 1.00 0.00 C +ATOM 947 O LYS A 59 -14.547 -53.555 17.774 1.00 0.00 O +ATOM 948 CB LYS A 59 -14.265 -56.692 17.077 1.00 0.00 C +ATOM 949 CG LYS A 59 -15.712 -56.460 17.516 1.00 0.00 C +ATOM 950 CD LYS A 59 -16.252 -57.726 18.184 1.00 0.00 C +ATOM 951 CE LYS A 59 -17.743 -57.550 18.481 1.00 0.00 C +ATOM 952 NZ LYS A 59 -18.464 -58.818 18.174 1.00 0.00 N +ATOM 953 H LYS A 59 -11.925 -56.540 16.046 1.00 0.00 H +ATOM 954 HA LYS A 59 -14.330 -55.048 15.697 1.00 0.00 H +ATOM 955 HB2 LYS A 59 -14.237 -57.465 16.324 1.00 0.00 H +ATOM 956 HB3 LYS A 59 -13.674 -56.996 17.928 1.00 0.00 H +ATOM 957 HG2 LYS A 59 -15.748 -55.640 18.218 1.00 0.00 H +ATOM 958 HG3 LYS A 59 -16.317 -56.222 16.653 1.00 0.00 H +ATOM 959 HD2 LYS A 59 -16.114 -58.569 17.523 1.00 0.00 H +ATOM 960 HD3 LYS A 59 -15.719 -57.902 19.107 1.00 0.00 H +ATOM 961 HE2 LYS A 59 -17.875 -57.304 19.524 1.00 0.00 H +ATOM 962 HE3 LYS A 59 -18.140 -56.753 17.870 1.00 0.00 H +ATOM 963 HZ1 LYS A 59 -19.410 -58.792 18.605 1.00 0.00 H +ATOM 964 HZ2 LYS A 59 -17.928 -59.623 18.558 1.00 0.00 H +ATOM 965 HZ3 LYS A 59 -18.558 -58.922 17.144 1.00 0.00 H +ATOM 966 N SER A 60 -12.555 -54.291 18.334 1.00 0.00 N +ATOM 967 CA SER A 60 -12.435 -53.277 19.419 1.00 0.00 C +ATOM 968 C SER A 60 -12.623 -51.877 18.833 1.00 0.00 C +ATOM 969 O SER A 60 -12.415 -51.653 17.657 1.00 0.00 O +ATOM 970 CB SER A 60 -11.050 -53.379 20.062 1.00 0.00 C +ATOM 971 OG SER A 60 -10.084 -52.792 19.202 1.00 0.00 O +ATOM 972 H SER A 60 -11.826 -54.927 18.174 1.00 0.00 H +ATOM 973 HA SER A 60 -13.193 -53.459 20.167 1.00 0.00 H +ATOM 974 HB2 SER A 60 -11.053 -52.858 21.008 1.00 0.00 H +ATOM 975 HB3 SER A 60 -10.803 -54.418 20.224 1.00 0.00 H +ATOM 976 HG SER A 60 -9.744 -53.480 18.626 1.00 0.00 H +ATOM 977 N GLU A 61 -13.017 -50.932 19.643 1.00 0.00 N +ATOM 978 CA GLU A 61 -13.219 -49.548 19.130 1.00 0.00 C +ATOM 979 C GLU A 61 -12.254 -48.594 19.837 1.00 0.00 C +ATOM 980 O GLU A 61 -11.569 -48.967 20.769 1.00 0.00 O +ATOM 981 CB GLU A 61 -14.660 -49.109 19.401 1.00 0.00 C +ATOM 982 CG GLU A 61 -15.625 -50.062 18.692 1.00 0.00 C +ATOM 983 CD GLU A 61 -15.386 -49.999 17.182 1.00 0.00 C +ATOM 984 OE1 GLU A 61 -14.751 -49.055 16.742 1.00 0.00 O +ATOM 985 OE2 GLU A 61 -15.843 -50.895 16.492 1.00 0.00 O +ATOM 986 H GLU A 61 -13.180 -51.133 20.588 1.00 0.00 H +ATOM 987 HA GLU A 61 -13.031 -49.527 18.066 1.00 0.00 H +ATOM 988 HB2 GLU A 61 -14.848 -49.131 20.464 1.00 0.00 H +ATOM 989 HB3 GLU A 61 -14.807 -48.106 19.030 1.00 0.00 H +ATOM 990 HG2 GLU A 61 -15.457 -51.070 19.042 1.00 0.00 H +ATOM 991 HG3 GLU A 61 -16.642 -49.770 18.909 1.00 0.00 H +ATOM 992 N ARG A 62 -12.195 -47.365 19.402 1.00 0.00 N +ATOM 993 CA ARG A 62 -11.274 -46.389 20.050 1.00 0.00 C +ATOM 994 C ARG A 62 -12.092 -45.333 20.796 1.00 0.00 C +ATOM 995 O ARG A 62 -13.074 -44.824 20.292 1.00 0.00 O +ATOM 996 CB ARG A 62 -10.418 -45.709 18.981 1.00 0.00 C +ATOM 997 CG ARG A 62 -9.536 -46.753 18.293 1.00 0.00 C +ATOM 998 CD ARG A 62 -8.595 -46.057 17.308 1.00 0.00 C +ATOM 999 NE ARG A 62 -7.907 -47.079 16.472 1.00 0.00 N +ATOM 1000 CZ ARG A 62 -7.652 -46.832 15.216 1.00 0.00 C +ATOM 1001 NH1 ARG A 62 -8.628 -46.763 14.353 1.00 0.00 N +ATOM 1002 NH2 ARG A 62 -6.420 -46.653 14.823 1.00 0.00 N +ATOM 1003 H ARG A 62 -12.756 -47.084 18.650 1.00 0.00 H +ATOM 1004 HA ARG A 62 -10.634 -46.907 20.749 1.00 0.00 H +ATOM 1005 HB2 ARG A 62 -11.060 -45.241 18.249 1.00 0.00 H +ATOM 1006 HB3 ARG A 62 -9.793 -44.959 19.443 1.00 0.00 H +ATOM 1007 HG2 ARG A 62 -8.955 -47.279 19.035 1.00 0.00 H +ATOM 1008 HG3 ARG A 62 -10.160 -47.455 17.760 1.00 0.00 H +ATOM 1009 HD2 ARG A 62 -9.165 -45.395 16.672 1.00 0.00 H +ATOM 1010 HD3 ARG A 62 -7.860 -45.485 17.855 1.00 0.00 H +ATOM 1011 HE ARG A 62 -7.645 -47.938 16.865 1.00 0.00 H +ATOM 1012 HH11 ARG A 62 -9.572 -46.900 14.653 1.00 0.00 H +ATOM 1013 HH12 ARG A 62 -8.432 -46.573 13.391 1.00 0.00 H +ATOM 1014 HH21 ARG A 62 -5.672 -46.706 15.485 1.00 0.00 H +ATOM 1015 HH22 ARG A 62 -6.224 -46.464 13.861 1.00 0.00 H +ATOM 1016 N LYS A 63 -11.696 -44.998 21.993 1.00 0.00 N +ATOM 1017 CA LYS A 63 -12.451 -43.975 22.769 1.00 0.00 C +ATOM 1018 C LYS A 63 -11.912 -42.581 22.439 1.00 0.00 C +ATOM 1019 O LYS A 63 -12.317 -41.595 23.022 1.00 0.00 O +ATOM 1020 CB LYS A 63 -12.285 -44.243 24.266 1.00 0.00 C +ATOM 1021 CG LYS A 63 -12.879 -45.611 24.608 1.00 0.00 C +ATOM 1022 CD LYS A 63 -12.811 -45.833 26.120 1.00 0.00 C +ATOM 1023 CE LYS A 63 -13.284 -47.250 26.450 1.00 0.00 C +ATOM 1024 NZ LYS A 63 -14.538 -47.181 27.252 1.00 0.00 N +ATOM 1025 H LYS A 63 -10.901 -45.420 22.382 1.00 0.00 H +ATOM 1026 HA LYS A 63 -13.498 -44.026 22.509 1.00 0.00 H +ATOM 1027 HB2 LYS A 63 -11.235 -44.234 24.519 1.00 0.00 H +ATOM 1028 HB3 LYS A 63 -12.797 -43.477 24.828 1.00 0.00 H +ATOM 1029 HG2 LYS A 63 -13.909 -45.647 24.285 1.00 0.00 H +ATOM 1030 HG3 LYS A 63 -12.317 -46.384 24.105 1.00 0.00 H +ATOM 1031 HD2 LYS A 63 -11.793 -45.705 26.457 1.00 0.00 H +ATOM 1032 HD3 LYS A 63 -13.447 -45.116 26.618 1.00 0.00 H +ATOM 1033 HE2 LYS A 63 -13.471 -47.789 25.534 1.00 0.00 H +ATOM 1034 HE3 LYS A 63 -12.521 -47.761 27.019 1.00 0.00 H +ATOM 1035 HZ1 LYS A 63 -14.980 -46.249 27.125 1.00 0.00 H +ATOM 1036 HZ2 LYS A 63 -14.315 -47.326 28.258 1.00 0.00 H +ATOM 1037 HZ3 LYS A 63 -15.196 -47.920 26.931 1.00 0.00 H +ATOM 1038 N PHE A 64 -11.001 -42.490 21.508 1.00 0.00 N +ATOM 1039 CA PHE A 64 -10.440 -41.159 21.144 1.00 0.00 C +ATOM 1040 C PHE A 64 -11.491 -40.355 20.375 1.00 0.00 C +ATOM 1041 O PHE A 64 -12.277 -40.899 19.626 1.00 0.00 O +ATOM 1042 CB PHE A 64 -9.201 -41.350 20.266 1.00 0.00 C +ATOM 1043 CG PHE A 64 -8.108 -42.004 21.075 1.00 0.00 C +ATOM 1044 CD1 PHE A 64 -7.815 -41.538 22.362 1.00 0.00 C +ATOM 1045 CD2 PHE A 64 -7.386 -43.077 20.539 1.00 0.00 C +ATOM 1046 CE1 PHE A 64 -6.801 -42.144 23.113 1.00 0.00 C +ATOM 1047 CE2 PHE A 64 -6.371 -43.683 21.290 1.00 0.00 C +ATOM 1048 CZ PHE A 64 -6.079 -43.216 22.577 1.00 0.00 C +ATOM 1049 H PHE A 64 -10.687 -43.296 21.048 1.00 0.00 H +ATOM 1050 HA PHE A 64 -10.165 -40.626 22.042 1.00 0.00 H +ATOM 1051 HB2 PHE A 64 -9.451 -41.979 19.424 1.00 0.00 H +ATOM 1052 HB3 PHE A 64 -8.861 -40.390 19.910 1.00 0.00 H +ATOM 1053 HD1 PHE A 64 -8.372 -40.710 22.776 1.00 0.00 H +ATOM 1054 HD2 PHE A 64 -7.611 -43.437 19.546 1.00 0.00 H +ATOM 1055 HE1 PHE A 64 -6.576 -41.784 24.106 1.00 0.00 H +ATOM 1056 HE2 PHE A 64 -5.814 -44.511 20.876 1.00 0.00 H +ATOM 1057 HZ PHE A 64 -5.297 -43.684 23.156 1.00 0.00 H +ATOM 1058 N PHE A 65 -11.512 -39.063 20.557 1.00 0.00 N +ATOM 1059 CA PHE A 65 -12.513 -38.225 19.837 1.00 0.00 C +ATOM 1060 C PHE A 65 -11.788 -37.195 18.969 1.00 0.00 C +ATOM 1061 O PHE A 65 -11.649 -36.046 19.339 1.00 0.00 O +ATOM 1062 CB PHE A 65 -13.402 -37.501 20.853 1.00 0.00 C +ATOM 1063 CG PHE A 65 -12.600 -37.184 22.093 1.00 0.00 C +ATOM 1064 CD1 PHE A 65 -11.871 -35.991 22.169 1.00 0.00 C +ATOM 1065 CD2 PHE A 65 -12.585 -38.083 23.166 1.00 0.00 C +ATOM 1066 CE1 PHE A 65 -11.128 -35.697 23.319 1.00 0.00 C +ATOM 1067 CE2 PHE A 65 -11.842 -37.789 24.315 1.00 0.00 C +ATOM 1068 CZ PHE A 65 -11.114 -36.596 24.392 1.00 0.00 C +ATOM 1069 H PHE A 65 -10.869 -38.643 21.166 1.00 0.00 H +ATOM 1070 HA PHE A 65 -13.125 -38.857 19.210 1.00 0.00 H +ATOM 1071 HB2 PHE A 65 -13.770 -36.584 20.418 1.00 0.00 H +ATOM 1072 HB3 PHE A 65 -14.236 -38.135 21.116 1.00 0.00 H +ATOM 1073 HD1 PHE A 65 -11.883 -35.297 21.341 1.00 0.00 H +ATOM 1074 HD2 PHE A 65 -13.147 -39.003 23.107 1.00 0.00 H +ATOM 1075 HE1 PHE A 65 -10.566 -34.776 23.378 1.00 0.00 H +ATOM 1076 HE2 PHE A 65 -11.831 -38.482 25.143 1.00 0.00 H +ATOM 1077 HZ PHE A 65 -10.541 -36.369 25.279 1.00 0.00 H +ATOM 1078 N PRO A 66 -11.318 -37.622 17.788 1.00 0.00 N +ATOM 1079 CA PRO A 66 -10.604 -36.742 16.854 1.00 0.00 C +ATOM 1080 C PRO A 66 -11.541 -35.715 16.212 1.00 0.00 C +ATOM 1081 O PRO A 66 -12.722 -35.953 16.054 1.00 0.00 O +ATOM 1082 CB PRO A 66 -10.076 -37.703 15.790 1.00 0.00 C +ATOM 1083 CG PRO A 66 -11.005 -38.869 15.841 1.00 0.00 C +ATOM 1084 CD PRO A 66 -11.446 -38.996 17.272 1.00 0.00 C +ATOM 1085 HA PRO A 66 -9.772 -36.238 17.319 1.00 0.00 H +ATOM 1086 HB2 PRO A 66 -10.096 -37.221 14.823 1.00 0.00 H +ATOM 1087 HB3 PRO A 66 -9.063 -37.991 16.031 1.00 0.00 H +ATOM 1088 HG2 PRO A 66 -11.852 -38.688 15.195 1.00 0.00 H +ATOM 1089 HG3 PRO A 66 -10.488 -39.761 15.520 1.00 0.00 H +ATOM 1090 HD2 PRO A 66 -12.467 -39.344 17.324 1.00 0.00 H +ATOM 1091 HD3 PRO A 66 -10.803 -39.680 17.806 1.00 0.00 H +ATOM 1092 N GLY A 67 -11.025 -34.575 15.842 1.00 0.00 N +ATOM 1093 CA GLY A 67 -11.887 -33.536 15.212 1.00 0.00 C +ATOM 1094 C GLY A 67 -12.387 -32.566 16.286 1.00 0.00 C +ATOM 1095 O GLY A 67 -12.982 -31.550 15.988 1.00 0.00 O +ATOM 1096 H GLY A 67 -10.070 -34.403 15.979 1.00 0.00 H +ATOM 1097 HA2 GLY A 67 -11.316 -32.993 14.474 1.00 0.00 H +ATOM 1098 HA3 GLY A 67 -12.732 -34.011 14.735 1.00 0.00 H +ATOM 1099 N TYR A 68 -12.150 -32.871 17.532 1.00 0.00 N +ATOM 1100 CA TYR A 68 -12.611 -31.966 18.621 1.00 0.00 C +ATOM 1101 C TYR A 68 -11.400 -31.438 19.393 1.00 0.00 C +ATOM 1102 O TYR A 68 -10.554 -32.193 19.830 1.00 0.00 O +ATOM 1103 CB TYR A 68 -13.526 -32.738 19.574 1.00 0.00 C +ATOM 1104 CG TYR A 68 -14.965 -32.383 19.287 1.00 0.00 C +ATOM 1105 CD1 TYR A 68 -15.441 -32.401 17.970 1.00 0.00 C +ATOM 1106 CD2 TYR A 68 -15.823 -32.034 20.337 1.00 0.00 C +ATOM 1107 CE1 TYR A 68 -16.775 -32.070 17.704 1.00 0.00 C +ATOM 1108 CE2 TYR A 68 -17.157 -31.703 20.071 1.00 0.00 C +ATOM 1109 CZ TYR A 68 -17.633 -31.722 18.754 1.00 0.00 C +ATOM 1110 OH TYR A 68 -18.948 -31.396 18.492 1.00 0.00 O +ATOM 1111 H TYR A 68 -11.668 -33.696 17.752 1.00 0.00 H +ATOM 1112 HA TYR A 68 -13.155 -31.136 18.194 1.00 0.00 H +ATOM 1113 HB2 TYR A 68 -13.381 -33.799 19.430 1.00 0.00 H +ATOM 1114 HB3 TYR A 68 -13.287 -32.477 20.594 1.00 0.00 H +ATOM 1115 HD1 TYR A 68 -14.779 -32.670 17.160 1.00 0.00 H +ATOM 1116 HD2 TYR A 68 -15.455 -32.020 21.352 1.00 0.00 H +ATOM 1117 HE1 TYR A 68 -17.143 -32.084 16.689 1.00 0.00 H +ATOM 1118 HE2 TYR A 68 -17.818 -31.434 20.881 1.00 0.00 H +ATOM 1119 HH TYR A 68 -19.490 -32.160 18.701 1.00 0.00 H +ATOM 1120 N VAL A 69 -11.309 -30.147 19.563 1.00 0.00 N +ATOM 1121 CA VAL A 69 -10.152 -29.574 20.305 1.00 0.00 C +ATOM 1122 C VAL A 69 -10.659 -28.595 21.367 1.00 0.00 C +ATOM 1123 O VAL A 69 -11.617 -27.878 21.157 1.00 0.00 O +ATOM 1124 CB VAL A 69 -9.236 -28.834 19.328 1.00 0.00 C +ATOM 1125 CG1 VAL A 69 -8.051 -28.239 20.092 1.00 0.00 C +ATOM 1126 CG2 VAL A 69 -8.722 -29.811 18.270 1.00 0.00 C +ATOM 1127 H VAL A 69 -12.002 -29.555 19.202 1.00 0.00 H +ATOM 1128 HA VAL A 69 -9.600 -30.370 20.783 1.00 0.00 H +ATOM 1129 HB VAL A 69 -9.789 -28.041 18.847 1.00 0.00 H +ATOM 1130 HG11 VAL A 69 -8.108 -28.532 21.130 1.00 0.00 H +ATOM 1131 HG12 VAL A 69 -8.080 -27.162 20.019 1.00 0.00 H +ATOM 1132 HG13 VAL A 69 -7.128 -28.604 19.665 1.00 0.00 H +ATOM 1133 HG21 VAL A 69 -8.186 -29.266 17.507 1.00 0.00 H +ATOM 1134 HG22 VAL A 69 -9.557 -30.330 17.822 1.00 0.00 H +ATOM 1135 HG23 VAL A 69 -8.060 -30.528 18.733 1.00 0.00 H +ATOM 1136 N LEU A 70 -10.020 -28.557 22.504 1.00 0.00 N +ATOM 1137 CA LEU A 70 -10.461 -27.622 23.577 1.00 0.00 C +ATOM 1138 C LEU A 70 -9.457 -26.474 23.692 1.00 0.00 C +ATOM 1139 O LEU A 70 -8.261 -26.684 23.724 1.00 0.00 O +ATOM 1140 CB LEU A 70 -10.535 -28.371 24.908 1.00 0.00 C +ATOM 1141 CG LEU A 70 -11.525 -29.531 24.786 1.00 0.00 C +ATOM 1142 CD1 LEU A 70 -10.911 -30.637 23.926 1.00 0.00 C +ATOM 1143 CD2 LEU A 70 -11.839 -30.082 26.179 1.00 0.00 C +ATOM 1144 H LEU A 70 -9.247 -29.141 22.651 1.00 0.00 H +ATOM 1145 HA LEU A 70 -11.436 -27.226 23.331 1.00 0.00 H +ATOM 1146 HB2 LEU A 70 -9.557 -28.757 25.159 1.00 0.00 H +ATOM 1147 HB3 LEU A 70 -10.864 -27.696 25.684 1.00 0.00 H +ATOM 1148 HG LEU A 70 -12.435 -29.179 24.324 1.00 0.00 H +ATOM 1149 HD11 LEU A 70 -11.183 -30.482 22.893 1.00 0.00 H +ATOM 1150 HD12 LEU A 70 -11.281 -31.597 24.256 1.00 0.00 H +ATOM 1151 HD13 LEU A 70 -9.835 -30.613 24.023 1.00 0.00 H +ATOM 1152 HD21 LEU A 70 -12.638 -29.505 26.622 1.00 0.00 H +ATOM 1153 HD22 LEU A 70 -12.144 -31.115 26.097 1.00 0.00 H +ATOM 1154 HD23 LEU A 70 -10.958 -30.014 26.800 1.00 0.00 H +ATOM 1155 N VAL A 71 -9.932 -25.260 23.751 1.00 0.00 N +ATOM 1156 CA VAL A 71 -9.000 -24.103 23.860 1.00 0.00 C +ATOM 1157 C VAL A 71 -9.567 -23.075 24.842 1.00 0.00 C +ATOM 1158 O VAL A 71 -10.718 -22.692 24.760 1.00 0.00 O +ATOM 1159 CB VAL A 71 -8.831 -23.455 22.485 1.00 0.00 C +ATOM 1160 CG1 VAL A 71 -7.796 -22.332 22.574 1.00 0.00 C +ATOM 1161 CG2 VAL A 71 -8.357 -24.507 21.480 1.00 0.00 C +ATOM 1162 H VAL A 71 -10.900 -25.109 23.721 1.00 0.00 H +ATOM 1163 HA VAL A 71 -8.040 -24.447 24.216 1.00 0.00 H +ATOM 1164 HB VAL A 71 -9.777 -23.047 22.160 1.00 0.00 H +ATOM 1165 HG11 VAL A 71 -7.014 -22.616 23.263 1.00 0.00 H +ATOM 1166 HG12 VAL A 71 -8.274 -21.429 22.925 1.00 0.00 H +ATOM 1167 HG13 VAL A 71 -7.369 -22.157 21.598 1.00 0.00 H +ATOM 1168 HG21 VAL A 71 -7.792 -24.026 20.695 1.00 0.00 H +ATOM 1169 HG22 VAL A 71 -9.213 -25.008 21.053 1.00 0.00 H +ATOM 1170 HG23 VAL A 71 -7.731 -25.229 21.983 1.00 0.00 H +ATOM 1171 N GLN A 72 -8.767 -22.622 25.768 1.00 0.00 N +ATOM 1172 CA GLN A 72 -9.257 -21.616 26.752 1.00 0.00 C +ATOM 1173 C GLN A 72 -9.050 -20.212 26.182 1.00 0.00 C +ATOM 1174 O GLN A 72 -7.970 -19.863 25.748 1.00 0.00 O +ATOM 1175 CB GLN A 72 -8.473 -21.758 28.058 1.00 0.00 C +ATOM 1176 CG GLN A 72 -9.270 -21.130 29.203 1.00 0.00 C +ATOM 1177 CD GLN A 72 -8.563 -21.410 30.531 1.00 0.00 C +ATOM 1178 OE1 GLN A 72 -8.523 -22.536 30.986 1.00 0.00 O +ATOM 1179 NE2 GLN A 72 -7.999 -20.425 31.176 1.00 0.00 N +ATOM 1180 H GLN A 72 -7.842 -22.942 25.814 1.00 0.00 H +ATOM 1181 HA GLN A 72 -10.308 -21.778 26.942 1.00 0.00 H +ATOM 1182 HB2 GLN A 72 -8.307 -22.804 28.267 1.00 0.00 H +ATOM 1183 HB3 GLN A 72 -7.522 -21.254 27.964 1.00 0.00 H +ATOM 1184 HG2 GLN A 72 -9.340 -20.063 29.050 1.00 0.00 H +ATOM 1185 HG3 GLN A 72 -10.262 -21.556 29.227 1.00 0.00 H +ATOM 1186 HE21 GLN A 72 -8.031 -19.517 30.809 1.00 0.00 H +ATOM 1187 HE22 GLN A 72 -7.542 -20.594 32.027 1.00 0.00 H +ATOM 1188 N MET A 73 -10.074 -19.403 26.176 1.00 0.00 N +ATOM 1189 CA MET A 73 -9.927 -18.026 25.628 1.00 0.00 C +ATOM 1190 C MET A 73 -11.214 -17.235 25.870 1.00 0.00 C +ATOM 1191 O MET A 73 -12.253 -17.795 26.160 1.00 0.00 O +ATOM 1192 CB MET A 73 -9.654 -18.108 24.125 1.00 0.00 C +ATOM 1193 CG MET A 73 -9.776 -16.715 23.506 1.00 0.00 C +ATOM 1194 SD MET A 73 -9.362 -16.800 21.746 1.00 0.00 S +ATOM 1195 CE MET A 73 -10.889 -17.599 21.192 1.00 0.00 C +ATOM 1196 H MET A 73 -10.938 -19.702 26.528 1.00 0.00 H +ATOM 1197 HA MET A 73 -9.102 -17.529 26.117 1.00 0.00 H +ATOM 1198 HB2 MET A 73 -8.657 -18.488 23.961 1.00 0.00 H +ATOM 1199 HB3 MET A 73 -10.372 -18.770 23.665 1.00 0.00 H +ATOM 1200 HG2 MET A 73 -10.788 -16.357 23.621 1.00 0.00 H +ATOM 1201 HG3 MET A 73 -9.096 -16.038 24.003 1.00 0.00 H +ATOM 1202 HE1 MET A 73 -10.644 -18.465 20.592 1.00 0.00 H +ATOM 1203 HE2 MET A 73 -11.465 -16.906 20.600 1.00 0.00 H +ATOM 1204 HE3 MET A 73 -11.469 -17.902 22.052 1.00 0.00 H +ATOM 1205 N VAL A 74 -11.155 -15.936 25.749 1.00 0.00 N +ATOM 1206 CA VAL A 74 -12.375 -15.111 25.969 1.00 0.00 C +ATOM 1207 C VAL A 74 -13.156 -14.997 24.659 1.00 0.00 C +ATOM 1208 O VAL A 74 -12.588 -14.817 23.600 1.00 0.00 O +ATOM 1209 CB VAL A 74 -11.969 -13.714 26.443 1.00 0.00 C +ATOM 1210 CG1 VAL A 74 -11.159 -13.829 27.735 1.00 0.00 C +ATOM 1211 CG2 VAL A 74 -11.118 -13.038 25.366 1.00 0.00 C +ATOM 1212 H VAL A 74 -10.307 -15.505 25.512 1.00 0.00 H +ATOM 1213 HA VAL A 74 -12.996 -15.579 26.719 1.00 0.00 H +ATOM 1214 HB VAL A 74 -12.855 -13.123 26.624 1.00 0.00 H +ATOM 1215 HG11 VAL A 74 -11.274 -12.924 28.314 1.00 0.00 H +ATOM 1216 HG12 VAL A 74 -11.515 -14.671 28.310 1.00 0.00 H +ATOM 1217 HG13 VAL A 74 -10.116 -13.972 27.495 1.00 0.00 H +ATOM 1218 HG21 VAL A 74 -10.917 -13.742 24.572 1.00 0.00 H +ATOM 1219 HG22 VAL A 74 -11.652 -12.188 24.966 1.00 0.00 H +ATOM 1220 HG23 VAL A 74 -10.186 -12.707 25.799 1.00 0.00 H +ATOM 1221 N MET A 75 -14.455 -15.103 24.721 1.00 0.00 N +ATOM 1222 CA MET A 75 -15.271 -15.003 23.478 1.00 0.00 C +ATOM 1223 C MET A 75 -15.379 -13.537 23.053 1.00 0.00 C +ATOM 1224 O MET A 75 -15.935 -12.716 23.755 1.00 0.00 O +ATOM 1225 CB MET A 75 -16.671 -15.561 23.744 1.00 0.00 C +ATOM 1226 CG MET A 75 -17.536 -15.383 22.495 1.00 0.00 C +ATOM 1227 SD MET A 75 -18.301 -16.965 22.061 1.00 0.00 S +ATOM 1228 CE MET A 75 -16.790 -17.815 21.540 1.00 0.00 C +ATOM 1229 H MET A 75 -14.894 -15.250 25.585 1.00 0.00 H +ATOM 1230 HA MET A 75 -14.800 -15.573 22.691 1.00 0.00 H +ATOM 1231 HB2 MET A 75 -16.600 -16.611 23.986 1.00 0.00 H +ATOM 1232 HB3 MET A 75 -17.119 -15.030 24.570 1.00 0.00 H +ATOM 1233 HG2 MET A 75 -18.307 -14.652 22.692 1.00 0.00 H +ATOM 1234 HG3 MET A 75 -16.920 -15.043 21.675 1.00 0.00 H +ATOM 1235 HE1 MET A 75 -15.982 -17.100 21.469 1.00 0.00 H +ATOM 1236 HE2 MET A 75 -16.947 -18.273 20.577 1.00 0.00 H +ATOM 1237 HE3 MET A 75 -16.540 -18.578 22.264 1.00 0.00 H +ATOM 1238 N ASN A 76 -14.855 -13.202 21.905 1.00 0.00 N +ATOM 1239 CA ASN A 76 -14.931 -11.790 21.435 1.00 0.00 C +ATOM 1240 C ASN A 76 -15.093 -11.768 19.913 1.00 0.00 C +ATOM 1241 O ASN A 76 -14.983 -12.782 19.253 1.00 0.00 O +ATOM 1242 CB ASN A 76 -13.651 -11.049 21.828 1.00 0.00 C +ATOM 1243 CG ASN A 76 -12.468 -11.619 21.043 1.00 0.00 C +ATOM 1244 OD1 ASN A 76 -12.596 -12.625 20.373 1.00 0.00 O +ATOM 1245 ND2 ASN A 76 -11.313 -11.014 21.097 1.00 0.00 N +ATOM 1246 H ASN A 76 -14.412 -13.879 21.352 1.00 0.00 H +ATOM 1247 HA ASN A 76 -15.781 -11.305 21.893 1.00 0.00 H +ATOM 1248 HB2 ASN A 76 -13.759 -9.999 21.604 1.00 0.00 H +ATOM 1249 HB3 ASN A 76 -13.474 -11.174 22.886 1.00 0.00 H +ATOM 1250 HD21 ASN A 76 -11.210 -10.203 21.637 1.00 0.00 H +ATOM 1251 HD22 ASN A 76 -10.549 -11.372 20.599 1.00 0.00 H +ATOM 1252 N ASP A 77 -15.362 -10.620 19.351 1.00 0.00 N +ATOM 1253 CA ASP A 77 -15.539 -10.535 17.873 1.00 0.00 C +ATOM 1254 C ASP A 77 -14.205 -10.802 17.172 1.00 0.00 C +ATOM 1255 O ASP A 77 -14.162 -11.362 16.095 1.00 0.00 O +ATOM 1256 CB ASP A 77 -16.038 -9.136 17.502 1.00 0.00 C +ATOM 1257 CG ASP A 77 -17.456 -8.941 18.043 1.00 0.00 C +ATOM 1258 OD1 ASP A 77 -18.052 -9.922 18.456 1.00 0.00 O +ATOM 1259 OD2 ASP A 77 -17.922 -7.813 18.036 1.00 0.00 O +ATOM 1260 H ASP A 77 -15.452 -9.815 19.902 1.00 0.00 H +ATOM 1261 HA ASP A 77 -16.264 -11.269 17.556 1.00 0.00 H +ATOM 1262 HB2 ASP A 77 -15.383 -8.394 17.934 1.00 0.00 H +ATOM 1263 HB3 ASP A 77 -16.045 -9.030 16.428 1.00 0.00 H +ATOM 1264 N ALA A 78 -13.116 -10.401 17.769 1.00 0.00 N +ATOM 1265 CA ALA A 78 -11.789 -10.631 17.128 1.00 0.00 C +ATOM 1266 C ALA A 78 -11.482 -12.130 17.101 1.00 0.00 C +ATOM 1267 O ALA A 78 -11.460 -12.750 16.056 1.00 0.00 O +ATOM 1268 CB ALA A 78 -10.706 -9.903 17.927 1.00 0.00 C +ATOM 1269 H ALA A 78 -13.170 -9.948 18.635 1.00 0.00 H +ATOM 1270 HA ALA A 78 -11.807 -10.249 16.118 1.00 0.00 H +ATOM 1271 HB1 ALA A 78 -10.218 -10.601 18.592 1.00 0.00 H +ATOM 1272 HB2 ALA A 78 -11.156 -9.110 18.505 1.00 0.00 H +ATOM 1273 HB3 ALA A 78 -9.978 -9.485 17.248 1.00 0.00 H +ATOM 1274 N SER A 79 -11.242 -12.716 18.241 1.00 0.00 N +ATOM 1275 CA SER A 79 -10.932 -14.173 18.280 1.00 0.00 C +ATOM 1276 C SER A 79 -11.936 -14.936 17.413 1.00 0.00 C +ATOM 1277 O SER A 79 -11.570 -15.610 16.471 1.00 0.00 O +ATOM 1278 CB SER A 79 -11.020 -14.673 19.723 1.00 0.00 C +ATOM 1279 OG SER A 79 -12.371 -14.978 20.037 1.00 0.00 O +ATOM 1280 H SER A 79 -11.262 -12.197 19.072 1.00 0.00 H +ATOM 1281 HA SER A 79 -9.934 -14.338 17.904 1.00 0.00 H +ATOM 1282 HB2 SER A 79 -10.416 -15.560 19.833 1.00 0.00 H +ATOM 1283 HB3 SER A 79 -10.660 -13.906 20.392 1.00 0.00 H +ATOM 1284 HG SER A 79 -12.470 -14.938 20.991 1.00 0.00 H +ATOM 1285 N TRP A 80 -13.200 -14.838 17.726 1.00 0.00 N +ATOM 1286 CA TRP A 80 -14.229 -15.559 16.923 1.00 0.00 C +ATOM 1287 C TRP A 80 -13.910 -15.418 15.432 1.00 0.00 C +ATOM 1288 O TRP A 80 -13.734 -16.395 14.731 1.00 0.00 O +ATOM 1289 CB TRP A 80 -15.607 -14.960 17.209 1.00 0.00 C +ATOM 1290 CG TRP A 80 -16.667 -15.849 16.644 1.00 0.00 C +ATOM 1291 CD1 TRP A 80 -17.241 -16.887 17.296 1.00 0.00 C +ATOM 1292 CD2 TRP A 80 -17.290 -15.798 15.328 1.00 0.00 C +ATOM 1293 NE1 TRP A 80 -18.176 -17.476 16.464 1.00 0.00 N +ATOM 1294 CE2 TRP A 80 -18.243 -16.840 15.240 1.00 0.00 C +ATOM 1295 CE3 TRP A 80 -17.123 -14.956 14.214 1.00 0.00 C +ATOM 1296 CZ2 TRP A 80 -19.003 -17.041 14.087 1.00 0.00 C +ATOM 1297 CZ3 TRP A 80 -17.886 -15.156 13.051 1.00 0.00 C +ATOM 1298 CH2 TRP A 80 -18.824 -16.196 12.988 1.00 0.00 C +ATOM 1299 H TRP A 80 -13.473 -14.291 18.492 1.00 0.00 H +ATOM 1300 HA TRP A 80 -14.229 -16.604 17.193 1.00 0.00 H +ATOM 1301 HB2 TRP A 80 -15.745 -14.869 18.277 1.00 0.00 H +ATOM 1302 HB3 TRP A 80 -15.676 -13.983 16.754 1.00 0.00 H +ATOM 1303 HD1 TRP A 80 -17.006 -17.204 18.301 1.00 0.00 H +ATOM 1304 HE1 TRP A 80 -18.732 -18.249 16.695 1.00 0.00 H +ATOM 1305 HE3 TRP A 80 -16.403 -14.152 14.252 1.00 0.00 H +ATOM 1306 HZ2 TRP A 80 -19.724 -17.844 14.043 1.00 0.00 H +ATOM 1307 HZ3 TRP A 80 -17.749 -14.503 12.201 1.00 0.00 H +ATOM 1308 HH2 TRP A 80 -19.407 -16.344 12.092 1.00 0.00 H +ATOM 1309 N HIS A 81 -13.833 -14.211 14.941 1.00 0.00 N +ATOM 1310 CA HIS A 81 -13.526 -14.013 13.496 1.00 0.00 C +ATOM 1311 C HIS A 81 -12.182 -14.667 13.165 1.00 0.00 C +ATOM 1312 O HIS A 81 -12.003 -15.240 12.109 1.00 0.00 O +ATOM 1313 CB HIS A 81 -13.452 -12.515 13.190 1.00 0.00 C +ATOM 1314 CG HIS A 81 -13.245 -12.313 11.714 1.00 0.00 C +ATOM 1315 ND1 HIS A 81 -14.199 -12.679 10.777 1.00 0.00 N +ATOM 1316 CD2 HIS A 81 -12.201 -11.783 10.998 1.00 0.00 C +ATOM 1317 CE1 HIS A 81 -13.714 -12.368 9.561 1.00 0.00 C +ATOM 1318 NE2 HIS A 81 -12.498 -11.819 9.639 1.00 0.00 N +ATOM 1319 H HIS A 81 -13.978 -13.435 15.522 1.00 0.00 H +ATOM 1320 HA HIS A 81 -14.303 -14.464 12.897 1.00 0.00 H +ATOM 1321 HB2 HIS A 81 -14.373 -12.040 13.493 1.00 0.00 H +ATOM 1322 HB3 HIS A 81 -12.626 -12.077 13.732 1.00 0.00 H +ATOM 1323 HD1 HIS A 81 -15.069 -13.090 10.966 1.00 0.00 H +ATOM 1324 HD2 HIS A 81 -11.287 -11.397 11.424 1.00 0.00 H +ATOM 1325 HE1 HIS A 81 -14.242 -12.541 8.636 1.00 0.00 H +ATOM 1326 N LEU A 82 -11.236 -14.586 14.061 1.00 0.00 N +ATOM 1327 CA LEU A 82 -9.905 -15.203 13.799 1.00 0.00 C +ATOM 1328 C LEU A 82 -10.061 -16.718 13.661 1.00 0.00 C +ATOM 1329 O LEU A 82 -9.435 -17.344 12.829 1.00 0.00 O +ATOM 1330 CB LEU A 82 -8.962 -14.890 14.964 1.00 0.00 C +ATOM 1331 CG LEU A 82 -7.611 -15.569 14.725 1.00 0.00 C +ATOM 1332 CD1 LEU A 82 -6.964 -14.986 13.468 1.00 0.00 C +ATOM 1333 CD2 LEU A 82 -6.698 -15.325 15.929 1.00 0.00 C +ATOM 1334 H LEU A 82 -11.402 -14.119 14.907 1.00 0.00 H +ATOM 1335 HA LEU A 82 -9.494 -14.799 12.886 1.00 0.00 H +ATOM 1336 HB2 LEU A 82 -8.820 -13.822 15.036 1.00 0.00 H +ATOM 1337 HB3 LEU A 82 -9.392 -15.259 15.884 1.00 0.00 H +ATOM 1338 HG LEU A 82 -7.760 -16.631 14.595 1.00 0.00 H +ATOM 1339 HD11 LEU A 82 -7.086 -15.676 12.646 1.00 0.00 H +ATOM 1340 HD12 LEU A 82 -7.436 -14.046 13.222 1.00 0.00 H +ATOM 1341 HD13 LEU A 82 -5.911 -14.823 13.648 1.00 0.00 H +ATOM 1342 HD21 LEU A 82 -7.296 -15.035 16.781 1.00 0.00 H +ATOM 1343 HD22 LEU A 82 -5.998 -14.536 15.695 1.00 0.00 H +ATOM 1344 HD23 LEU A 82 -6.157 -16.230 16.160 1.00 0.00 H +ATOM 1345 N VAL A 83 -10.892 -17.315 14.472 1.00 0.00 N +ATOM 1346 CA VAL A 83 -11.087 -18.790 14.388 1.00 0.00 C +ATOM 1347 C VAL A 83 -11.601 -19.161 12.995 1.00 0.00 C +ATOM 1348 O VAL A 83 -11.108 -20.075 12.365 1.00 0.00 O +ATOM 1349 CB VAL A 83 -12.108 -19.229 15.440 1.00 0.00 C +ATOM 1350 CG1 VAL A 83 -12.403 -20.721 15.272 1.00 0.00 C +ATOM 1351 CG2 VAL A 83 -11.541 -18.975 16.838 1.00 0.00 C +ATOM 1352 H VAL A 83 -11.387 -16.792 15.137 1.00 0.00 H +ATOM 1353 HA VAL A 83 -10.147 -19.288 14.570 1.00 0.00 H +ATOM 1354 HB VAL A 83 -13.020 -18.665 15.314 1.00 0.00 H +ATOM 1355 HG11 VAL A 83 -11.600 -21.187 14.720 1.00 0.00 H +ATOM 1356 HG12 VAL A 83 -13.330 -20.846 14.732 1.00 0.00 H +ATOM 1357 HG13 VAL A 83 -12.487 -21.183 16.244 1.00 0.00 H +ATOM 1358 HG21 VAL A 83 -10.606 -18.441 16.756 1.00 0.00 H +ATOM 1359 HG22 VAL A 83 -11.373 -19.919 17.335 1.00 0.00 H +ATOM 1360 HG23 VAL A 83 -12.243 -18.387 17.410 1.00 0.00 H +ATOM 1361 N ARG A 84 -12.589 -18.460 12.510 1.00 0.00 N +ATOM 1362 CA ARG A 84 -13.134 -18.776 11.160 1.00 0.00 C +ATOM 1363 C ARG A 84 -12.019 -18.661 10.118 1.00 0.00 C +ATOM 1364 O ARG A 84 -11.950 -19.432 9.182 1.00 0.00 O +ATOM 1365 CB ARG A 84 -14.255 -17.793 10.819 1.00 0.00 C +ATOM 1366 CG ARG A 84 -14.924 -18.217 9.509 1.00 0.00 C +ATOM 1367 CD ARG A 84 -16.012 -17.207 9.141 1.00 0.00 C +ATOM 1368 NE ARG A 84 -16.763 -17.697 7.951 1.00 0.00 N +ATOM 1369 CZ ARG A 84 -17.435 -16.858 7.212 1.00 0.00 C +ATOM 1370 NH1 ARG A 84 -16.849 -16.249 6.217 1.00 0.00 N +ATOM 1371 NH2 ARG A 84 -18.694 -16.626 7.468 1.00 0.00 N +ATOM 1372 H ARG A 84 -12.974 -17.728 13.035 1.00 0.00 H +ATOM 1373 HA ARG A 84 -13.525 -19.783 11.157 1.00 0.00 H +ATOM 1374 HB2 ARG A 84 -14.987 -17.792 11.613 1.00 0.00 H +ATOM 1375 HB3 ARG A 84 -13.843 -16.801 10.707 1.00 0.00 H +ATOM 1376 HG2 ARG A 84 -14.184 -18.252 8.723 1.00 0.00 H +ATOM 1377 HG3 ARG A 84 -15.366 -19.195 9.631 1.00 0.00 H +ATOM 1378 HD2 ARG A 84 -16.692 -17.091 9.973 1.00 0.00 H +ATOM 1379 HD3 ARG A 84 -15.557 -16.255 8.913 1.00 0.00 H +ATOM 1380 HE ARG A 84 -16.752 -18.650 7.723 1.00 0.00 H +ATOM 1381 HH11 ARG A 84 -15.885 -16.427 6.021 1.00 0.00 H +ATOM 1382 HH12 ARG A 84 -17.365 -15.606 5.651 1.00 0.00 H +ATOM 1383 HH21 ARG A 84 -19.143 -17.093 8.230 1.00 0.00 H +ATOM 1384 HH22 ARG A 84 -19.209 -15.983 6.902 1.00 0.00 H +ATOM 1385 N SER A 85 -11.147 -17.703 10.271 1.00 0.00 N +ATOM 1386 CA SER A 85 -10.039 -17.542 9.288 1.00 0.00 C +ATOM 1387 C SER A 85 -9.123 -18.766 9.346 1.00 0.00 C +ATOM 1388 O SER A 85 -8.463 -19.105 8.383 1.00 0.00 O +ATOM 1389 CB SER A 85 -9.234 -16.286 9.628 1.00 0.00 C +ATOM 1390 OG SER A 85 -8.509 -16.500 10.831 1.00 0.00 O +ATOM 1391 H SER A 85 -11.219 -17.091 11.033 1.00 0.00 H +ATOM 1392 HA SER A 85 -10.451 -17.447 8.294 1.00 0.00 H +ATOM 1393 HB2 SER A 85 -8.544 -16.072 8.826 1.00 0.00 H +ATOM 1394 HB3 SER A 85 -9.906 -15.451 9.757 1.00 0.00 H +ATOM 1395 HG SER A 85 -7.736 -17.028 10.621 1.00 0.00 H +ATOM 1396 N VAL A 86 -9.076 -19.431 10.467 1.00 0.00 N +ATOM 1397 CA VAL A 86 -8.203 -20.632 10.585 1.00 0.00 C +ATOM 1398 C VAL A 86 -8.644 -21.686 9.566 1.00 0.00 C +ATOM 1399 O VAL A 86 -9.788 -22.092 9.537 1.00 0.00 O +ATOM 1400 CB VAL A 86 -8.318 -21.210 11.997 1.00 0.00 C +ATOM 1401 CG1 VAL A 86 -7.493 -22.494 12.093 1.00 0.00 C +ATOM 1402 CG2 VAL A 86 -7.794 -20.189 13.009 1.00 0.00 C +ATOM 1403 H VAL A 86 -9.616 -19.141 11.232 1.00 0.00 H +ATOM 1404 HA VAL A 86 -7.178 -20.352 10.394 1.00 0.00 H +ATOM 1405 HB VAL A 86 -9.353 -21.430 12.212 1.00 0.00 H +ATOM 1406 HG11 VAL A 86 -7.957 -23.169 12.797 1.00 0.00 H +ATOM 1407 HG12 VAL A 86 -6.494 -22.256 12.429 1.00 0.00 H +ATOM 1408 HG13 VAL A 86 -7.443 -22.964 11.122 1.00 0.00 H +ATOM 1409 HG21 VAL A 86 -8.106 -19.198 12.716 1.00 0.00 H +ATOM 1410 HG22 VAL A 86 -6.715 -20.233 13.038 1.00 0.00 H +ATOM 1411 HG23 VAL A 86 -8.190 -20.417 13.988 1.00 0.00 H +ATOM 1412 N PRO A 87 -7.710 -22.134 8.714 1.00 0.00 N +ATOM 1413 CA PRO A 87 -7.993 -23.143 7.686 1.00 0.00 C +ATOM 1414 C PRO A 87 -8.235 -24.526 8.298 1.00 0.00 C +ATOM 1415 O PRO A 87 -7.793 -24.817 9.392 1.00 0.00 O +ATOM 1416 CB PRO A 87 -6.719 -23.162 6.842 1.00 0.00 C +ATOM 1417 CG PRO A 87 -5.650 -22.678 7.763 1.00 0.00 C +ATOM 1418 CD PRO A 87 -6.305 -21.691 8.687 1.00 0.00 C +ATOM 1419 HA PRO A 87 -8.827 -22.869 7.061 1.00 0.00 H +ATOM 1420 HB2 PRO A 87 -6.525 -24.168 6.500 1.00 0.00 H +ATOM 1421 HB3 PRO A 87 -6.838 -22.507 5.992 1.00 0.00 H +ATOM 1422 HG2 PRO A 87 -5.245 -23.511 8.319 1.00 0.00 H +ATOM 1423 HG3 PRO A 87 -4.865 -22.205 7.192 1.00 0.00 H +ATOM 1424 HD2 PRO A 87 -5.856 -21.737 9.668 1.00 0.00 H +ATOM 1425 HD3 PRO A 87 -6.213 -20.688 8.296 1.00 0.00 H +ATOM 1426 N ARG A 88 -8.936 -25.379 7.602 1.00 0.00 N +ATOM 1427 CA ARG A 88 -9.205 -26.741 8.145 1.00 0.00 C +ATOM 1428 C ARG A 88 -9.999 -26.621 9.448 1.00 0.00 C +ATOM 1429 O ARG A 88 -9.692 -27.261 10.434 1.00 0.00 O +ATOM 1430 CB ARG A 88 -7.879 -27.452 8.421 1.00 0.00 C +ATOM 1431 CG ARG A 88 -7.117 -27.639 7.107 1.00 0.00 C +ATOM 1432 CD ARG A 88 -5.866 -28.483 7.358 1.00 0.00 C +ATOM 1433 NE ARG A 88 -5.013 -28.483 6.136 1.00 0.00 N +ATOM 1434 CZ ARG A 88 -5.473 -28.980 5.020 1.00 0.00 C +ATOM 1435 NH1 ARG A 88 -6.274 -30.010 5.045 1.00 0.00 N +ATOM 1436 NH2 ARG A 88 -5.131 -28.448 3.879 1.00 0.00 N +ATOM 1437 H ARG A 88 -9.285 -25.125 6.722 1.00 0.00 H +ATOM 1438 HA ARG A 88 -9.777 -27.309 7.426 1.00 0.00 H +ATOM 1439 HB2 ARG A 88 -7.285 -26.858 9.099 1.00 0.00 H +ATOM 1440 HB3 ARG A 88 -8.074 -28.418 8.864 1.00 0.00 H +ATOM 1441 HG2 ARG A 88 -7.752 -28.141 6.391 1.00 0.00 H +ATOM 1442 HG3 ARG A 88 -6.829 -26.674 6.717 1.00 0.00 H +ATOM 1443 HD2 ARG A 88 -5.310 -28.064 8.184 1.00 0.00 H +ATOM 1444 HD3 ARG A 88 -6.155 -29.496 7.595 1.00 0.00 H +ATOM 1445 HE ARG A 88 -4.108 -28.110 6.170 1.00 0.00 H +ATOM 1446 HH11 ARG A 88 -6.537 -30.418 5.920 1.00 0.00 H +ATOM 1447 HH12 ARG A 88 -6.626 -30.391 4.190 1.00 0.00 H +ATOM 1448 HH21 ARG A 88 -4.517 -27.659 3.859 1.00 0.00 H +ATOM 1449 HH22 ARG A 88 -5.482 -28.829 3.024 1.00 0.00 H +ATOM 1450 N VAL A 89 -11.017 -25.805 9.460 1.00 0.00 N +ATOM 1451 CA VAL A 89 -11.827 -25.644 10.700 1.00 0.00 C +ATOM 1452 C VAL A 89 -13.316 -25.728 10.355 1.00 0.00 C +ATOM 1453 O VAL A 89 -13.835 -24.928 9.603 1.00 0.00 O +ATOM 1454 CB VAL A 89 -11.527 -24.284 11.332 1.00 0.00 C +ATOM 1455 CG1 VAL A 89 -12.474 -24.049 12.510 1.00 0.00 C +ATOM 1456 CG2 VAL A 89 -10.080 -24.261 11.827 1.00 0.00 C +ATOM 1457 H VAL A 89 -11.248 -25.297 8.655 1.00 0.00 H +ATOM 1458 HA VAL A 89 -11.575 -26.429 11.399 1.00 0.00 H +ATOM 1459 HB VAL A 89 -11.668 -23.506 10.596 1.00 0.00 H +ATOM 1460 HG11 VAL A 89 -13.454 -23.792 12.138 1.00 0.00 H +ATOM 1461 HG12 VAL A 89 -12.096 -23.242 13.120 1.00 0.00 H +ATOM 1462 HG13 VAL A 89 -12.539 -24.949 13.104 1.00 0.00 H +ATOM 1463 HG21 VAL A 89 -9.785 -23.242 12.031 1.00 0.00 H +ATOM 1464 HG22 VAL A 89 -9.999 -24.847 12.731 1.00 0.00 H +ATOM 1465 HG23 VAL A 89 -9.433 -24.678 11.069 1.00 0.00 H +ATOM 1466 N MET A 90 -14.007 -26.692 10.900 1.00 0.00 N +ATOM 1467 CA MET A 90 -15.462 -26.826 10.605 1.00 0.00 C +ATOM 1468 C MET A 90 -16.220 -25.661 11.244 1.00 0.00 C +ATOM 1469 O MET A 90 -17.104 -25.080 10.646 1.00 0.00 O +ATOM 1470 CB MET A 90 -15.980 -28.146 11.178 1.00 0.00 C +ATOM 1471 CG MET A 90 -15.346 -29.315 10.421 1.00 0.00 C +ATOM 1472 SD MET A 90 -16.094 -30.868 10.975 1.00 0.00 S +ATOM 1473 CE MET A 90 -15.094 -31.979 9.955 1.00 0.00 C +ATOM 1474 H MET A 90 -13.570 -27.326 11.505 1.00 0.00 H +ATOM 1475 HA MET A 90 -15.615 -26.812 9.536 1.00 0.00 H +ATOM 1476 HB2 MET A 90 -15.719 -28.211 12.224 1.00 0.00 H +ATOM 1477 HB3 MET A 90 -17.054 -28.188 11.071 1.00 0.00 H +ATOM 1478 HG2 MET A 90 -15.516 -29.192 9.361 1.00 0.00 H +ATOM 1479 HG3 MET A 90 -14.284 -29.337 10.616 1.00 0.00 H +ATOM 1480 HE1 MET A 90 -14.063 -31.653 9.974 1.00 0.00 H +ATOM 1481 HE2 MET A 90 -15.456 -31.961 8.940 1.00 0.00 H +ATOM 1482 HE3 MET A 90 -15.167 -32.985 10.344 1.00 0.00 H +ATOM 1483 N GLY A 91 -15.882 -25.316 12.456 1.00 0.00 N +ATOM 1484 CA GLY A 91 -16.584 -24.189 13.133 1.00 0.00 C +ATOM 1485 C GLY A 91 -16.445 -24.339 14.649 1.00 0.00 C +ATOM 1486 O GLY A 91 -15.496 -24.916 15.142 1.00 0.00 O +ATOM 1487 H GLY A 91 -15.167 -25.798 12.922 1.00 0.00 H +ATOM 1488 HA2 GLY A 91 -16.144 -23.253 12.822 1.00 0.00 H +ATOM 1489 HA3 GLY A 91 -17.630 -24.203 12.864 1.00 0.00 H +ATOM 1490 N PHE A 92 -17.384 -23.821 15.394 1.00 0.00 N +ATOM 1491 CA PHE A 92 -17.304 -23.934 16.877 1.00 0.00 C +ATOM 1492 C PHE A 92 -18.386 -24.893 17.376 1.00 0.00 C +ATOM 1493 O PHE A 92 -19.342 -25.179 16.684 1.00 0.00 O +ATOM 1494 CB PHE A 92 -17.516 -22.555 17.505 1.00 0.00 C +ATOM 1495 CG PHE A 92 -16.176 -21.928 17.805 1.00 0.00 C +ATOM 1496 CD1 PHE A 92 -15.412 -22.393 18.882 1.00 0.00 C +ATOM 1497 CD2 PHE A 92 -15.698 -20.882 17.008 1.00 0.00 C +ATOM 1498 CE1 PHE A 92 -14.169 -21.812 19.161 1.00 0.00 C +ATOM 1499 CE2 PHE A 92 -14.456 -20.300 17.287 1.00 0.00 C +ATOM 1500 CZ PHE A 92 -13.691 -20.765 18.363 1.00 0.00 C +ATOM 1501 H PHE A 92 -18.141 -23.359 14.977 1.00 0.00 H +ATOM 1502 HA PHE A 92 -16.331 -24.311 17.158 1.00 0.00 H +ATOM 1503 HB2 PHE A 92 -18.062 -21.926 16.817 1.00 0.00 H +ATOM 1504 HB3 PHE A 92 -18.078 -22.659 18.421 1.00 0.00 H +ATOM 1505 HD1 PHE A 92 -15.781 -23.199 19.497 1.00 0.00 H +ATOM 1506 HD2 PHE A 92 -16.288 -20.523 16.177 1.00 0.00 H +ATOM 1507 HE1 PHE A 92 -13.580 -22.170 19.992 1.00 0.00 H +ATOM 1508 HE2 PHE A 92 -14.087 -19.493 16.671 1.00 0.00 H +ATOM 1509 HZ PHE A 92 -12.733 -20.317 18.578 1.00 0.00 H +ATOM 1510 N ILE A 93 -18.243 -25.391 18.574 1.00 0.00 N +ATOM 1511 CA ILE A 93 -19.263 -26.331 19.117 1.00 0.00 C +ATOM 1512 C ILE A 93 -19.943 -25.700 20.333 1.00 0.00 C +ATOM 1513 O ILE A 93 -19.316 -25.441 21.341 1.00 0.00 O +ATOM 1514 CB ILE A 93 -18.581 -27.636 19.533 1.00 0.00 C +ATOM 1515 CG1 ILE A 93 -17.572 -28.051 18.460 1.00 0.00 C +ATOM 1516 CG2 ILE A 93 -19.634 -28.734 19.695 1.00 0.00 C +ATOM 1517 CD1 ILE A 93 -18.299 -28.261 17.131 1.00 0.00 C +ATOM 1518 H ILE A 93 -17.463 -25.147 19.116 1.00 0.00 H +ATOM 1519 HA ILE A 93 -20.003 -26.538 18.358 1.00 0.00 H +ATOM 1520 HB ILE A 93 -18.068 -27.489 20.471 1.00 0.00 H +ATOM 1521 HG12 ILE A 93 -16.830 -27.275 18.346 1.00 0.00 H +ATOM 1522 HG13 ILE A 93 -17.089 -28.970 18.756 1.00 0.00 H +ATOM 1523 HG21 ILE A 93 -19.274 -29.480 20.388 1.00 0.00 H +ATOM 1524 HG22 ILE A 93 -19.824 -29.195 18.737 1.00 0.00 H +ATOM 1525 HG23 ILE A 93 -20.549 -28.303 20.074 1.00 0.00 H +ATOM 1526 HD11 ILE A 93 -17.983 -27.508 16.424 1.00 0.00 H +ATOM 1527 HD12 ILE A 93 -19.365 -28.184 17.287 1.00 0.00 H +ATOM 1528 HD13 ILE A 93 -18.062 -29.241 16.742 1.00 0.00 H +ATOM 1529 N GLY A 94 -21.221 -25.449 20.248 1.00 0.00 N +ATOM 1530 CA GLY A 94 -21.937 -24.835 21.401 1.00 0.00 C +ATOM 1531 C GLY A 94 -23.440 -24.809 21.116 1.00 0.00 C +ATOM 1532 O GLY A 94 -23.970 -25.676 20.450 1.00 0.00 O +ATOM 1533 H GLY A 94 -21.709 -25.665 19.426 1.00 0.00 H +ATOM 1534 HA2 GLY A 94 -21.749 -25.416 22.291 1.00 0.00 H +ATOM 1535 HA3 GLY A 94 -21.581 -23.826 21.549 1.00 0.00 H +ATOM 1536 N GLY A 95 -24.130 -23.823 21.619 1.00 0.00 N +ATOM 1537 CA GLY A 95 -25.598 -23.743 21.381 1.00 0.00 C +ATOM 1538 C GLY A 95 -25.864 -23.389 19.915 1.00 0.00 C +ATOM 1539 O GLY A 95 -26.822 -23.844 19.322 1.00 0.00 O +ATOM 1540 H GLY A 95 -23.683 -23.135 22.155 1.00 0.00 H +ATOM 1541 HA2 GLY A 95 -26.051 -24.696 21.609 1.00 0.00 H +ATOM 1542 HA3 GLY A 95 -26.025 -22.981 22.017 1.00 0.00 H +ATOM 1543 N THR A 96 -25.027 -22.580 19.326 1.00 0.00 N +ATOM 1544 CA THR A 96 -25.238 -22.199 17.901 1.00 0.00 C +ATOM 1545 C THR A 96 -23.896 -22.191 17.166 1.00 0.00 C +ATOM 1546 O THR A 96 -22.853 -22.388 17.757 1.00 0.00 O +ATOM 1547 CB THR A 96 -25.862 -20.802 17.835 1.00 0.00 C +ATOM 1548 OG1 THR A 96 -26.169 -20.486 16.484 1.00 0.00 O +ATOM 1549 CG2 THR A 96 -24.875 -19.774 18.390 1.00 0.00 C +ATOM 1550 H THR A 96 -24.261 -22.221 19.821 1.00 0.00 H +ATOM 1551 HA THR A 96 -25.901 -22.911 17.432 1.00 0.00 H +ATOM 1552 HB THR A 96 -26.765 -20.783 18.425 1.00 0.00 H +ATOM 1553 HG1 THR A 96 -26.861 -19.821 16.485 1.00 0.00 H +ATOM 1554 HG21 THR A 96 -24.605 -19.077 17.611 1.00 0.00 H +ATOM 1555 HG22 THR A 96 -23.989 -20.280 18.744 1.00 0.00 H +ATOM 1556 HG23 THR A 96 -25.335 -19.239 19.208 1.00 0.00 H +ATOM 1557 N SER A 97 -23.914 -21.962 15.881 1.00 0.00 N +ATOM 1558 CA SER A 97 -22.638 -21.940 15.111 1.00 0.00 C +ATOM 1559 C SER A 97 -22.125 -20.503 15.025 1.00 0.00 C +ATOM 1560 O SER A 97 -21.316 -20.167 14.183 1.00 0.00 O +ATOM 1561 CB SER A 97 -22.877 -22.487 13.702 1.00 0.00 C +ATOM 1562 OG SER A 97 -23.441 -21.470 12.888 1.00 0.00 O +ATOM 1563 H SER A 97 -24.766 -21.804 15.423 1.00 0.00 H +ATOM 1564 HA SER A 97 -21.906 -22.549 15.617 1.00 0.00 H +ATOM 1565 HB2 SER A 97 -21.938 -22.809 13.277 1.00 0.00 H +ATOM 1566 HB3 SER A 97 -23.556 -23.326 13.753 1.00 0.00 H +ATOM 1567 HG SER A 97 -22.745 -21.117 12.330 1.00 0.00 H +ATOM 1568 N ASP A 98 -22.592 -19.656 15.896 1.00 0.00 N +ATOM 1569 CA ASP A 98 -22.138 -18.236 15.882 1.00 0.00 C +ATOM 1570 C ASP A 98 -21.737 -17.815 17.300 1.00 0.00 C +ATOM 1571 O ASP A 98 -21.318 -16.698 17.530 1.00 0.00 O +ATOM 1572 CB ASP A 98 -23.276 -17.342 15.386 1.00 0.00 C +ATOM 1573 CG ASP A 98 -23.585 -17.673 13.924 1.00 0.00 C +ATOM 1574 OD1 ASP A 98 -22.787 -18.363 13.312 1.00 0.00 O +ATOM 1575 OD2 ASP A 98 -24.615 -17.230 13.443 1.00 0.00 O +ATOM 1576 H ASP A 98 -23.241 -19.957 16.564 1.00 0.00 H +ATOM 1577 HA ASP A 98 -21.288 -18.137 15.223 1.00 0.00 H +ATOM 1578 HB2 ASP A 98 -24.156 -17.513 15.988 1.00 0.00 H +ATOM 1579 HB3 ASP A 98 -22.981 -16.306 15.466 1.00 0.00 H +ATOM 1580 N ARG A 99 -21.862 -18.702 18.251 1.00 0.00 N +ATOM 1581 CA ARG A 99 -21.489 -18.359 19.651 1.00 0.00 C +ATOM 1582 C ARG A 99 -21.454 -19.640 20.485 1.00 0.00 C +ATOM 1583 O ARG A 99 -22.468 -20.108 20.964 1.00 0.00 O +ATOM 1584 CB ARG A 99 -22.525 -17.396 20.235 1.00 0.00 C +ATOM 1585 CG ARG A 99 -21.928 -15.989 20.312 1.00 0.00 C +ATOM 1586 CD ARG A 99 -22.846 -15.090 21.143 1.00 0.00 C +ATOM 1587 NE ARG A 99 -22.733 -13.685 20.662 1.00 0.00 N +ATOM 1588 CZ ARG A 99 -22.566 -12.713 21.517 1.00 0.00 C +ATOM 1589 NH1 ARG A 99 -23.418 -12.547 22.491 1.00 0.00 N +ATOM 1590 NH2 ARG A 99 -21.546 -11.908 21.398 1.00 0.00 N +ATOM 1591 H ARG A 99 -22.200 -19.597 18.044 1.00 0.00 H +ATOM 1592 HA ARG A 99 -20.515 -17.893 19.663 1.00 0.00 H +ATOM 1593 HB2 ARG A 99 -23.400 -17.381 19.602 1.00 0.00 H +ATOM 1594 HB3 ARG A 99 -22.803 -17.723 21.226 1.00 0.00 H +ATOM 1595 HG2 ARG A 99 -20.954 -16.037 20.776 1.00 0.00 H +ATOM 1596 HG3 ARG A 99 -21.833 -15.583 19.316 1.00 0.00 H +ATOM 1597 HD2 ARG A 99 -23.867 -15.425 21.040 1.00 0.00 H +ATOM 1598 HD3 ARG A 99 -22.554 -15.140 22.182 1.00 0.00 H +ATOM 1599 HE ARG A 99 -22.784 -13.490 19.703 1.00 0.00 H +ATOM 1600 HH11 ARG A 99 -24.200 -13.164 22.582 1.00 0.00 H +ATOM 1601 HH12 ARG A 99 -23.290 -11.802 23.146 1.00 0.00 H +ATOM 1602 HH21 ARG A 99 -20.893 -12.035 20.652 1.00 0.00 H +ATOM 1603 HH22 ARG A 99 -21.418 -11.163 22.053 1.00 0.00 H +ATOM 1604 N PRO A 100 -20.257 -20.221 20.652 1.00 0.00 N +ATOM 1605 CA PRO A 100 -20.074 -21.460 21.420 1.00 0.00 C +ATOM 1606 C PRO A 100 -20.345 -21.259 22.914 1.00 0.00 C +ATOM 1607 O PRO A 100 -19.660 -20.513 23.585 1.00 0.00 O +ATOM 1608 CB PRO A 100 -18.600 -21.803 21.196 1.00 0.00 C +ATOM 1609 CG PRO A 100 -17.959 -20.496 20.876 1.00 0.00 C +ATOM 1610 CD PRO A 100 -18.986 -19.715 20.108 1.00 0.00 C +ATOM 1611 HA PRO A 100 -20.682 -22.267 21.046 1.00 0.00 H +ATOM 1612 HB2 PRO A 100 -18.188 -22.240 22.094 1.00 0.00 H +ATOM 1613 HB3 PRO A 100 -18.510 -22.502 20.378 1.00 0.00 H +ATOM 1614 HG2 PRO A 100 -17.695 -19.985 21.790 1.00 0.00 H +ATOM 1615 HG3 PRO A 100 -17.075 -20.659 20.279 1.00 0.00 H +ATOM 1616 HD2 PRO A 100 -18.870 -18.656 20.287 1.00 0.00 H +ATOM 1617 HD3 PRO A 100 -18.899 -19.914 19.050 1.00 0.00 H +ATOM 1618 N ALA A 101 -21.338 -21.924 23.440 1.00 0.00 N +ATOM 1619 CA ALA A 101 -21.650 -21.776 24.888 1.00 0.00 C +ATOM 1620 C ALA A 101 -20.442 -22.223 25.714 1.00 0.00 C +ATOM 1621 O ALA A 101 -19.835 -23.240 25.440 1.00 0.00 O +ATOM 1622 CB ALA A 101 -22.860 -22.644 25.242 1.00 0.00 C +ATOM 1623 H ALA A 101 -21.876 -22.524 22.881 1.00 0.00 H +ATOM 1624 HA ALA A 101 -21.872 -20.742 25.105 1.00 0.00 H +ATOM 1625 HB1 ALA A 101 -22.577 -23.369 25.991 1.00 0.00 H +ATOM 1626 HB2 ALA A 101 -23.205 -23.159 24.356 1.00 0.00 H +ATOM 1627 HB3 ALA A 101 -23.652 -22.019 25.626 1.00 0.00 H +ATOM 1628 N PRO A 102 -20.087 -21.442 26.744 1.00 0.00 N +ATOM 1629 CA PRO A 102 -18.947 -21.750 27.616 1.00 0.00 C +ATOM 1630 C PRO A 102 -19.221 -22.970 28.500 1.00 0.00 C +ATOM 1631 O PRO A 102 -20.352 -23.280 28.814 1.00 0.00 O +ATOM 1632 CB PRO A 102 -18.812 -20.499 28.483 1.00 0.00 C +ATOM 1633 CG PRO A 102 -20.175 -19.894 28.485 1.00 0.00 C +ATOM 1634 CD PRO A 102 -20.770 -20.197 27.139 1.00 0.00 C +ATOM 1635 HA PRO A 102 -18.035 -21.896 27.062 1.00 0.00 H +ATOM 1636 HB2 PRO A 102 -18.499 -20.779 29.478 1.00 0.00 H +ATOM 1637 HB3 PRO A 102 -18.082 -19.833 28.047 1.00 0.00 H +ATOM 1638 HG2 PRO A 102 -20.768 -20.335 29.273 1.00 0.00 H +ATOM 1639 HG3 PRO A 102 -20.101 -18.828 28.639 1.00 0.00 H +ATOM 1640 HD2 PRO A 102 -21.837 -20.340 27.220 1.00 0.00 H +ATOM 1641 HD3 PRO A 102 -20.565 -19.396 26.445 1.00 0.00 H +ATOM 1642 N ILE A 103 -18.191 -23.663 28.902 1.00 0.00 N +ATOM 1643 CA ILE A 103 -18.391 -24.861 29.765 1.00 0.00 C +ATOM 1644 C ILE A 103 -17.532 -24.729 31.024 1.00 0.00 C +ATOM 1645 O ILE A 103 -16.554 -24.009 31.047 1.00 0.00 O +ATOM 1646 CB ILE A 103 -17.980 -26.118 28.995 1.00 0.00 C +ATOM 1647 CG1 ILE A 103 -16.471 -26.091 28.742 1.00 0.00 C +ATOM 1648 CG2 ILE A 103 -18.720 -26.161 27.657 1.00 0.00 C +ATOM 1649 CD1 ILE A 103 -16.055 -27.367 28.007 1.00 0.00 C +ATOM 1650 H ILE A 103 -17.287 -23.395 28.638 1.00 0.00 H +ATOM 1651 HA ILE A 103 -19.432 -24.934 30.045 1.00 0.00 H +ATOM 1652 HB ILE A 103 -18.232 -26.993 29.575 1.00 0.00 H +ATOM 1653 HG12 ILE A 103 -16.222 -25.231 28.139 1.00 0.00 H +ATOM 1654 HG13 ILE A 103 -15.949 -26.033 29.685 1.00 0.00 H +ATOM 1655 HG21 ILE A 103 -18.026 -26.415 26.869 1.00 0.00 H +ATOM 1656 HG22 ILE A 103 -19.155 -25.193 27.454 1.00 0.00 H +ATOM 1657 HG23 ILE A 103 -19.503 -26.904 27.702 1.00 0.00 H +ATOM 1658 HD11 ILE A 103 -16.739 -27.552 27.192 1.00 0.00 H +ATOM 1659 HD12 ILE A 103 -16.077 -28.201 28.693 1.00 0.00 H +ATOM 1660 HD13 ILE A 103 -15.055 -27.248 27.617 1.00 0.00 H +ATOM 1661 N SER A 104 -17.890 -25.418 32.073 1.00 0.00 N +ATOM 1662 CA SER A 104 -17.092 -25.329 33.328 1.00 0.00 C +ATOM 1663 C SER A 104 -15.681 -25.864 33.076 1.00 0.00 C +ATOM 1664 O SER A 104 -15.479 -26.757 32.277 1.00 0.00 O +ATOM 1665 CB SER A 104 -17.765 -26.162 34.421 1.00 0.00 C +ATOM 1666 OG SER A 104 -19.100 -25.713 34.604 1.00 0.00 O +ATOM 1667 H SER A 104 -18.682 -25.993 32.035 1.00 0.00 H +ATOM 1668 HA SER A 104 -17.034 -24.298 33.646 1.00 0.00 H +ATOM 1669 HB2 SER A 104 -17.772 -27.201 34.129 1.00 0.00 H +ATOM 1670 HB3 SER A 104 -17.219 -26.052 35.346 1.00 0.00 H +ATOM 1671 HG SER A 104 -19.568 -25.827 33.774 1.00 0.00 H +ATOM 1672 N ASP A 105 -14.703 -25.325 33.751 1.00 0.00 N +ATOM 1673 CA ASP A 105 -13.307 -25.803 33.549 1.00 0.00 C +ATOM 1674 C ASP A 105 -13.226 -27.294 33.884 1.00 0.00 C +ATOM 1675 O ASP A 105 -12.550 -28.054 33.219 1.00 0.00 O +ATOM 1676 CB ASP A 105 -12.363 -25.022 34.465 1.00 0.00 C +ATOM 1677 CG ASP A 105 -12.357 -23.548 34.053 1.00 0.00 C +ATOM 1678 OD1 ASP A 105 -12.852 -23.252 32.978 1.00 0.00 O +ATOM 1679 OD2 ASP A 105 -11.858 -22.741 34.820 1.00 0.00 O +ATOM 1680 H ASP A 105 -14.887 -24.606 34.390 1.00 0.00 H +ATOM 1681 HA ASP A 105 -13.019 -25.649 32.520 1.00 0.00 H +ATOM 1682 HB2 ASP A 105 -12.700 -25.108 35.488 1.00 0.00 H +ATOM 1683 HB3 ASP A 105 -11.364 -25.424 34.380 1.00 0.00 H +ATOM 1684 N LYS A 106 -13.910 -27.720 34.911 1.00 0.00 N +ATOM 1685 CA LYS A 106 -13.871 -29.161 35.286 1.00 0.00 C +ATOM 1686 C LYS A 106 -14.384 -30.005 34.117 1.00 0.00 C +ATOM 1687 O LYS A 106 -13.864 -31.066 33.830 1.00 0.00 O +ATOM 1688 CB LYS A 106 -14.758 -29.395 36.511 1.00 0.00 C +ATOM 1689 CG LYS A 106 -14.612 -30.845 36.977 1.00 0.00 C +ATOM 1690 CD LYS A 106 -15.540 -31.096 38.167 1.00 0.00 C +ATOM 1691 CE LYS A 106 -15.271 -32.489 38.739 1.00 0.00 C +ATOM 1692 NZ LYS A 106 -14.902 -32.373 40.178 1.00 0.00 N +ATOM 1693 H LYS A 106 -14.450 -27.091 35.435 1.00 0.00 H +ATOM 1694 HA LYS A 106 -12.856 -29.446 35.517 1.00 0.00 H +ATOM 1695 HB2 LYS A 106 -14.457 -28.729 37.306 1.00 0.00 H +ATOM 1696 HB3 LYS A 106 -15.789 -29.202 36.251 1.00 0.00 H +ATOM 1697 HG2 LYS A 106 -14.875 -31.511 36.168 1.00 0.00 H +ATOM 1698 HG3 LYS A 106 -13.589 -31.026 37.273 1.00 0.00 H +ATOM 1699 HD2 LYS A 106 -15.358 -30.352 38.929 1.00 0.00 H +ATOM 1700 HD3 LYS A 106 -16.568 -31.032 37.841 1.00 0.00 H +ATOM 1701 HE2 LYS A 106 -16.160 -33.095 38.643 1.00 0.00 H +ATOM 1702 HE3 LYS A 106 -14.460 -32.951 38.196 1.00 0.00 H +ATOM 1703 HZ1 LYS A 106 -13.883 -32.544 40.290 1.00 0.00 H +ATOM 1704 HZ2 LYS A 106 -15.435 -33.075 40.730 1.00 0.00 H +ATOM 1705 HZ3 LYS A 106 -15.130 -31.417 40.519 1.00 0.00 H +ATOM 1706 N GLU A 107 -15.399 -29.543 33.439 1.00 0.00 N +ATOM 1707 CA GLU A 107 -15.943 -30.320 32.290 1.00 0.00 C +ATOM 1708 C GLU A 107 -14.848 -30.507 31.238 1.00 0.00 C +ATOM 1709 O GLU A 107 -14.703 -31.566 30.660 1.00 0.00 O +ATOM 1710 CB GLU A 107 -17.119 -29.560 31.672 1.00 0.00 C +ATOM 1711 CG GLU A 107 -18.261 -29.474 32.686 1.00 0.00 C +ATOM 1712 CD GLU A 107 -18.748 -30.883 33.027 1.00 0.00 C +ATOM 1713 OE1 GLU A 107 -18.451 -31.791 32.268 1.00 0.00 O +ATOM 1714 OE2 GLU A 107 -19.411 -31.031 34.041 1.00 0.00 O +ATOM 1715 H GLU A 107 -15.804 -28.686 33.687 1.00 0.00 H +ATOM 1716 HA GLU A 107 -16.280 -31.286 32.635 1.00 0.00 H +ATOM 1717 HB2 GLU A 107 -16.801 -28.564 31.401 1.00 0.00 H +ATOM 1718 HB3 GLU A 107 -17.460 -30.081 30.789 1.00 0.00 H +ATOM 1719 HG2 GLU A 107 -17.909 -28.988 33.584 1.00 0.00 H +ATOM 1720 HG3 GLU A 107 -19.075 -28.904 32.264 1.00 0.00 H +ATOM 1721 N VAL A 108 -14.076 -29.486 30.984 1.00 0.00 N +ATOM 1722 CA VAL A 108 -12.992 -29.605 29.969 1.00 0.00 C +ATOM 1723 C VAL A 108 -11.992 -30.676 30.412 1.00 0.00 C +ATOM 1724 O VAL A 108 -11.450 -31.404 29.604 1.00 0.00 O +ATOM 1725 CB VAL A 108 -12.272 -28.261 29.833 1.00 0.00 C +ATOM 1726 CG1 VAL A 108 -11.100 -28.406 28.861 1.00 0.00 C +ATOM 1727 CG2 VAL A 108 -13.249 -27.211 29.301 1.00 0.00 C +ATOM 1728 H VAL A 108 -14.210 -28.640 31.461 1.00 0.00 H +ATOM 1729 HA VAL A 108 -13.419 -29.882 29.017 1.00 0.00 H +ATOM 1730 HB VAL A 108 -11.902 -27.952 30.800 1.00 0.00 H +ATOM 1731 HG11 VAL A 108 -10.540 -29.297 29.103 1.00 0.00 H +ATOM 1732 HG12 VAL A 108 -10.456 -27.543 28.942 1.00 0.00 H +ATOM 1733 HG13 VAL A 108 -11.476 -28.480 27.851 1.00 0.00 H +ATOM 1734 HG21 VAL A 108 -14.254 -27.469 29.602 1.00 0.00 H +ATOM 1735 HG22 VAL A 108 -13.193 -27.181 28.223 1.00 0.00 H +ATOM 1736 HG23 VAL A 108 -12.990 -26.242 29.702 1.00 0.00 H +ATOM 1737 N ASP A 109 -11.744 -30.778 31.689 1.00 0.00 N +ATOM 1738 CA ASP A 109 -10.780 -31.802 32.180 1.00 0.00 C +ATOM 1739 C ASP A 109 -11.358 -33.199 31.949 1.00 0.00 C +ATOM 1740 O ASP A 109 -10.641 -34.142 31.677 1.00 0.00 O +ATOM 1741 CB ASP A 109 -10.532 -31.593 33.675 1.00 0.00 C +ATOM 1742 CG ASP A 109 -9.811 -30.261 33.892 1.00 0.00 C +ATOM 1743 OD1 ASP A 109 -9.316 -29.713 32.920 1.00 0.00 O +ATOM 1744 OD2 ASP A 109 -9.767 -29.811 35.025 1.00 0.00 O +ATOM 1745 H ASP A 109 -12.191 -30.181 32.324 1.00 0.00 H +ATOM 1746 HA ASP A 109 -9.847 -31.705 31.644 1.00 0.00 H +ATOM 1747 HB2 ASP A 109 -11.477 -31.580 34.198 1.00 0.00 H +ATOM 1748 HB3 ASP A 109 -9.922 -32.399 34.055 1.00 0.00 H +ATOM 1749 N ALA A 110 -12.651 -33.340 32.052 1.00 0.00 N +ATOM 1750 CA ALA A 110 -13.274 -34.676 31.837 1.00 0.00 C +ATOM 1751 C ALA A 110 -13.053 -35.113 30.388 1.00 0.00 C +ATOM 1752 O ALA A 110 -12.735 -36.253 30.114 1.00 0.00 O +ATOM 1753 CB ALA A 110 -14.775 -34.590 32.120 1.00 0.00 C +ATOM 1754 H ALA A 110 -13.212 -32.567 32.271 1.00 0.00 H +ATOM 1755 HA ALA A 110 -12.822 -35.396 32.503 1.00 0.00 H +ATOM 1756 HB1 ALA A 110 -15.228 -33.876 31.448 1.00 0.00 H +ATOM 1757 HB2 ALA A 110 -14.931 -34.273 33.141 1.00 0.00 H +ATOM 1758 HB3 ALA A 110 -15.226 -35.560 31.971 1.00 0.00 H +ATOM 1759 N ILE A 111 -13.219 -34.214 29.456 1.00 0.00 N +ATOM 1760 CA ILE A 111 -13.018 -34.578 28.025 1.00 0.00 C +ATOM 1761 C ILE A 111 -11.607 -35.136 27.834 1.00 0.00 C +ATOM 1762 O ILE A 111 -11.420 -36.203 27.283 1.00 0.00 O +ATOM 1763 CB ILE A 111 -13.198 -33.333 27.153 1.00 0.00 C +ATOM 1764 CG1 ILE A 111 -14.621 -32.795 27.318 1.00 0.00 C +ATOM 1765 CG2 ILE A 111 -12.958 -33.698 25.687 1.00 0.00 C +ATOM 1766 CD1 ILE A 111 -14.790 -31.532 26.472 1.00 0.00 C +ATOM 1767 H ILE A 111 -13.475 -33.300 29.698 1.00 0.00 H +ATOM 1768 HA ILE A 111 -13.743 -35.326 27.739 1.00 0.00 H +ATOM 1769 HB ILE A 111 -12.490 -32.576 27.457 1.00 0.00 H +ATOM 1770 HG12 ILE A 111 -15.329 -33.544 26.993 1.00 0.00 H +ATOM 1771 HG13 ILE A 111 -14.799 -32.560 28.357 1.00 0.00 H +ATOM 1772 HG21 ILE A 111 -12.058 -34.290 25.607 1.00 0.00 H +ATOM 1773 HG22 ILE A 111 -12.848 -32.796 25.105 1.00 0.00 H +ATOM 1774 HG23 ILE A 111 -13.797 -34.267 25.315 1.00 0.00 H +ATOM 1775 HD11 ILE A 111 -14.446 -30.675 27.032 1.00 0.00 H +ATOM 1776 HD12 ILE A 111 -15.833 -31.403 26.222 1.00 0.00 H +ATOM 1777 HD13 ILE A 111 -14.211 -31.626 25.565 1.00 0.00 H +ATOM 1778 N MET A 112 -10.610 -34.423 28.284 1.00 0.00 N +ATOM 1779 CA MET A 112 -9.212 -34.914 28.127 1.00 0.00 C +ATOM 1780 C MET A 112 -9.026 -36.193 28.946 1.00 0.00 C +ATOM 1781 O MET A 112 -8.292 -37.084 28.565 1.00 0.00 O +ATOM 1782 CB MET A 112 -8.237 -33.845 28.624 1.00 0.00 C +ATOM 1783 CG MET A 112 -8.327 -32.613 27.722 1.00 0.00 C +ATOM 1784 SD MET A 112 -7.045 -31.425 28.193 1.00 0.00 S +ATOM 1785 CE MET A 112 -5.625 -32.376 27.598 1.00 0.00 C +ATOM 1786 H MET A 112 -10.782 -33.565 28.725 1.00 0.00 H +ATOM 1787 HA MET A 112 -9.019 -35.122 27.085 1.00 0.00 H +ATOM 1788 HB2 MET A 112 -8.491 -33.570 29.637 1.00 0.00 H +ATOM 1789 HB3 MET A 112 -7.231 -34.237 28.599 1.00 0.00 H +ATOM 1790 HG2 MET A 112 -8.184 -32.909 26.693 1.00 0.00 H +ATOM 1791 HG3 MET A 112 -9.300 -32.156 27.833 1.00 0.00 H +ATOM 1792 HE1 MET A 112 -4.938 -31.714 27.090 1.00 0.00 H +ATOM 1793 HE2 MET A 112 -5.962 -33.137 26.912 1.00 0.00 H +ATOM 1794 HE3 MET A 112 -5.129 -32.845 28.437 1.00 0.00 H +ATOM 1795 N ASN A 113 -9.685 -36.292 30.068 1.00 0.00 N +ATOM 1796 CA ASN A 113 -9.544 -37.513 30.910 1.00 0.00 C +ATOM 1797 C ASN A 113 -9.942 -38.744 30.093 1.00 0.00 C +ATOM 1798 O ASN A 113 -9.344 -39.796 30.205 1.00 0.00 O +ATOM 1799 CB ASN A 113 -10.455 -37.397 32.133 1.00 0.00 C +ATOM 1800 CG ASN A 113 -9.965 -36.256 33.028 1.00 0.00 C +ATOM 1801 OD1 ASN A 113 -8.835 -35.823 32.916 1.00 0.00 O +ATOM 1802 ND2 ASN A 113 -10.773 -35.746 33.917 1.00 0.00 N +ATOM 1803 H ASN A 113 -10.271 -35.562 30.357 1.00 0.00 H +ATOM 1804 HA ASN A 113 -8.518 -37.611 31.233 1.00 0.00 H +ATOM 1805 HB2 ASN A 113 -11.466 -37.193 31.811 1.00 0.00 H +ATOM 1806 HB3 ASN A 113 -10.433 -38.323 32.687 1.00 0.00 H +ATOM 1807 HD21 ASN A 113 -11.685 -36.095 34.007 1.00 0.00 H +ATOM 1808 HD22 ASN A 113 -10.469 -35.016 34.494 1.00 0.00 H +ATOM 1809 N ARG A 114 -10.948 -38.622 29.270 1.00 0.00 N +ATOM 1810 CA ARG A 114 -11.382 -39.786 28.447 1.00 0.00 C +ATOM 1811 C ARG A 114 -10.239 -40.210 27.522 1.00 0.00 C +ATOM 1812 O ARG A 114 -9.999 -41.383 27.314 1.00 0.00 O +ATOM 1813 CB ARG A 114 -12.598 -39.391 27.607 1.00 0.00 C +ATOM 1814 CG ARG A 114 -13.776 -39.077 28.532 1.00 0.00 C +ATOM 1815 CD ARG A 114 -15.033 -38.836 27.693 1.00 0.00 C +ATOM 1816 NE ARG A 114 -16.134 -38.356 28.575 1.00 0.00 N +ATOM 1817 CZ ARG A 114 -17.307 -38.924 28.521 1.00 0.00 C +ATOM 1818 NH1 ARG A 114 -17.400 -40.221 28.409 1.00 0.00 N +ATOM 1819 NH2 ARG A 114 -18.388 -38.196 28.580 1.00 0.00 N +ATOM 1820 H ARG A 114 -11.417 -37.765 29.193 1.00 0.00 H +ATOM 1821 HA ARG A 114 -11.644 -40.608 29.096 1.00 0.00 H +ATOM 1822 HB2 ARG A 114 -12.360 -38.518 27.018 1.00 0.00 H +ATOM 1823 HB3 ARG A 114 -12.863 -40.208 26.952 1.00 0.00 H +ATOM 1824 HG2 ARG A 114 -13.943 -39.911 29.198 1.00 0.00 H +ATOM 1825 HG3 ARG A 114 -13.554 -38.193 29.110 1.00 0.00 H +ATOM 1826 HD2 ARG A 114 -14.824 -38.091 26.939 1.00 0.00 H +ATOM 1827 HD3 ARG A 114 -15.330 -39.758 27.216 1.00 0.00 H +ATOM 1828 HE ARG A 114 -15.977 -37.613 29.194 1.00 0.00 H +ATOM 1829 HH11 ARG A 114 -16.571 -40.779 28.364 1.00 0.00 H +ATOM 1830 HH12 ARG A 114 -18.299 -40.656 28.369 1.00 0.00 H +ATOM 1831 HH21 ARG A 114 -18.318 -37.202 28.665 1.00 0.00 H +ATOM 1832 HH22 ARG A 114 -19.288 -38.632 28.539 1.00 0.00 H +ATOM 1833 N LEU A 115 -9.532 -39.265 26.965 1.00 0.00 N +ATOM 1834 CA LEU A 115 -8.406 -39.615 26.054 1.00 0.00 C +ATOM 1835 C LEU A 115 -7.366 -40.435 26.821 1.00 0.00 C +ATOM 1836 O LEU A 115 -6.799 -41.376 26.304 1.00 0.00 O +ATOM 1837 CB LEU A 115 -7.758 -38.332 25.529 1.00 0.00 C +ATOM 1838 CG LEU A 115 -6.803 -38.675 24.385 1.00 0.00 C +ATOM 1839 CD1 LEU A 115 -7.536 -38.538 23.049 1.00 0.00 C +ATOM 1840 CD2 LEU A 115 -5.610 -37.717 24.412 1.00 0.00 C +ATOM 1841 H LEU A 115 -9.742 -38.325 27.146 1.00 0.00 H +ATOM 1842 HA LEU A 115 -8.781 -40.195 25.224 1.00 0.00 H +ATOM 1843 HB2 LEU A 115 -8.525 -37.663 25.170 1.00 0.00 H +ATOM 1844 HB3 LEU A 115 -7.208 -37.854 26.327 1.00 0.00 H +ATOM 1845 HG LEU A 115 -6.452 -39.690 24.500 1.00 0.00 H +ATOM 1846 HD11 LEU A 115 -7.507 -37.508 22.726 1.00 0.00 H +ATOM 1847 HD12 LEU A 115 -8.564 -38.848 23.170 1.00 0.00 H +ATOM 1848 HD13 LEU A 115 -7.056 -39.161 22.309 1.00 0.00 H +ATOM 1849 HD21 LEU A 115 -4.778 -38.192 24.911 1.00 0.00 H +ATOM 1850 HD22 LEU A 115 -5.883 -36.817 24.943 1.00 0.00 H +ATOM 1851 HD23 LEU A 115 -5.327 -37.466 23.400 1.00 0.00 H +ATOM 1852 N GLN A 116 -7.111 -40.084 28.052 1.00 0.00 N +ATOM 1853 CA GLN A 116 -6.107 -40.842 28.850 1.00 0.00 C +ATOM 1854 C GLN A 116 -6.642 -42.246 29.142 1.00 0.00 C +ATOM 1855 O GLN A 116 -5.893 -43.198 29.241 1.00 0.00 O +ATOM 1856 CB GLN A 116 -5.847 -40.111 30.169 1.00 0.00 C +ATOM 1857 CG GLN A 116 -4.695 -40.792 30.911 1.00 0.00 C +ATOM 1858 CD GLN A 116 -4.436 -40.062 32.230 1.00 0.00 C +ATOM 1859 OE1 GLN A 116 -5.019 -39.028 32.491 1.00 0.00 O +ATOM 1860 NE2 GLN A 116 -3.580 -40.559 33.080 1.00 0.00 N +ATOM 1861 H GLN A 116 -7.579 -39.320 28.451 1.00 0.00 H +ATOM 1862 HA GLN A 116 -5.186 -40.917 28.293 1.00 0.00 H +ATOM 1863 HB2 GLN A 116 -5.587 -39.083 29.966 1.00 0.00 H +ATOM 1864 HB3 GLN A 116 -6.737 -40.144 30.780 1.00 0.00 H +ATOM 1865 HG2 GLN A 116 -4.954 -41.820 31.113 1.00 0.00 H +ATOM 1866 HG3 GLN A 116 -3.804 -40.758 30.300 1.00 0.00 H +ATOM 1867 HE21 GLN A 116 -3.110 -41.393 32.871 1.00 0.00 H +ATOM 1868 HE22 GLN A 116 -3.407 -40.099 33.928 1.00 0.00 H +ATOM 1869 N GLN A 117 -7.932 -42.383 29.282 1.00 0.00 N +ATOM 1870 CA GLN A 117 -8.512 -43.725 29.568 1.00 0.00 C +ATOM 1871 C GLN A 117 -8.082 -44.710 28.478 1.00 0.00 C +ATOM 1872 O GLN A 117 -8.064 -44.386 27.307 1.00 0.00 O +ATOM 1873 CB GLN A 117 -10.039 -43.626 29.591 1.00 0.00 C +ATOM 1874 CG GLN A 117 -10.634 -45.000 29.908 1.00 0.00 C +ATOM 1875 CD GLN A 117 -12.159 -44.932 29.798 1.00 0.00 C +ATOM 1876 OE1 GLN A 117 -12.693 -44.713 28.730 1.00 0.00 O +ATOM 1877 NE2 GLN A 117 -12.886 -45.113 30.867 1.00 0.00 N +ATOM 1878 H GLN A 117 -8.519 -41.603 29.199 1.00 0.00 H +ATOM 1879 HA GLN A 117 -8.159 -44.073 30.527 1.00 0.00 H +ATOM 1880 HB2 GLN A 117 -10.342 -42.919 30.350 1.00 0.00 H +ATOM 1881 HB3 GLN A 117 -10.393 -43.294 28.627 1.00 0.00 H +ATOM 1882 HG2 GLN A 117 -10.255 -45.727 29.205 1.00 0.00 H +ATOM 1883 HG3 GLN A 117 -10.358 -45.290 30.911 1.00 0.00 H +ATOM 1884 HE21 GLN A 117 -12.455 -45.290 31.729 1.00 0.00 H +ATOM 1885 HE22 GLN A 117 -13.863 -45.072 30.807 1.00 0.00 H +ATOM 1886 N VAL A 118 -7.736 -45.911 28.854 1.00 0.00 N +ATOM 1887 CA VAL A 118 -7.308 -46.915 27.840 1.00 0.00 C +ATOM 1888 C VAL A 118 -8.037 -48.237 28.091 1.00 0.00 C +ATOM 1889 O VAL A 118 -8.548 -48.481 29.166 1.00 0.00 O +ATOM 1890 CB VAL A 118 -5.797 -47.137 27.948 1.00 0.00 C +ATOM 1891 CG1 VAL A 118 -5.071 -45.805 27.755 1.00 0.00 C +ATOM 1892 CG2 VAL A 118 -5.462 -47.706 29.328 1.00 0.00 C +ATOM 1893 H VAL A 118 -7.758 -46.152 29.804 1.00 0.00 H +ATOM 1894 HA VAL A 118 -7.548 -46.553 26.851 1.00 0.00 H +ATOM 1895 HB VAL A 118 -5.481 -47.833 27.185 1.00 0.00 H +ATOM 1896 HG11 VAL A 118 -4.327 -45.685 28.530 1.00 0.00 H +ATOM 1897 HG12 VAL A 118 -5.783 -44.995 27.812 1.00 0.00 H +ATOM 1898 HG13 VAL A 118 -4.589 -45.794 26.789 1.00 0.00 H +ATOM 1899 HG21 VAL A 118 -6.370 -47.810 29.905 1.00 0.00 H +ATOM 1900 HG22 VAL A 118 -4.786 -47.037 29.839 1.00 0.00 H +ATOM 1901 HG23 VAL A 118 -4.995 -48.674 29.215 1.00 0.00 H +ATOM 1902 N GLY A 119 -8.089 -49.092 27.107 1.00 0.00 N +ATOM 1903 CA GLY A 119 -8.785 -50.397 27.290 1.00 0.00 C +ATOM 1904 C GLY A 119 -7.787 -51.440 27.799 1.00 0.00 C +ATOM 1905 O GLY A 119 -7.573 -52.463 27.179 1.00 0.00 O +ATOM 1906 H GLY A 119 -7.670 -48.877 26.247 1.00 0.00 H +ATOM 1907 HA2 GLY A 119 -9.583 -50.282 28.008 1.00 0.00 H +ATOM 1908 HA3 GLY A 119 -9.195 -50.722 26.345 1.00 0.00 H +ATOM 1909 N ASP A 120 -7.175 -51.189 28.923 1.00 0.00 N +ATOM 1910 CA ASP A 120 -6.192 -52.166 29.471 1.00 0.00 C +ATOM 1911 C ASP A 120 -6.857 -53.537 29.607 1.00 0.00 C +ATOM 1912 O ASP A 120 -6.235 -54.562 29.405 1.00 0.00 O +ATOM 1913 CB ASP A 120 -5.714 -51.692 30.844 1.00 0.00 C +ATOM 1914 CG ASP A 120 -4.557 -52.576 31.315 1.00 0.00 C +ATOM 1915 OD1 ASP A 120 -4.091 -53.378 30.524 1.00 0.00 O +ATOM 1916 OD2 ASP A 120 -4.157 -52.435 32.459 1.00 0.00 O +ATOM 1917 H ASP A 120 -7.362 -50.358 29.408 1.00 0.00 H +ATOM 1918 HA ASP A 120 -5.347 -52.240 28.801 1.00 0.00 H +ATOM 1919 HB2 ASP A 120 -5.379 -50.667 30.775 1.00 0.00 H +ATOM 1920 HB3 ASP A 120 -6.528 -51.757 31.551 1.00 0.00 H +ATOM 1921 N LYS A 121 -8.116 -53.566 29.947 1.00 0.00 N +ATOM 1922 CA LYS A 121 -8.819 -54.871 30.095 1.00 0.00 C +ATOM 1923 C LYS A 121 -10.010 -54.921 29.135 1.00 0.00 C +ATOM 1924 O LYS A 121 -11.136 -54.669 29.516 1.00 0.00 O +ATOM 1925 CB LYS A 121 -9.318 -55.021 31.534 1.00 0.00 C +ATOM 1926 CG LYS A 121 -8.128 -55.260 32.465 1.00 0.00 C +ATOM 1927 CD LYS A 121 -8.614 -55.295 33.915 1.00 0.00 C +ATOM 1928 CE LYS A 121 -9.445 -56.559 34.144 1.00 0.00 C +ATOM 1929 NZ LYS A 121 -8.589 -57.761 33.937 1.00 0.00 N +ATOM 1930 H LYS A 121 -8.600 -52.728 30.105 1.00 0.00 H +ATOM 1931 HA LYS A 121 -8.137 -55.676 29.865 1.00 0.00 H +ATOM 1932 HB2 LYS A 121 -9.834 -54.120 31.832 1.00 0.00 H +ATOM 1933 HB3 LYS A 121 -9.996 -55.860 31.594 1.00 0.00 H +ATOM 1934 HG2 LYS A 121 -7.661 -56.202 32.219 1.00 0.00 H +ATOM 1935 HG3 LYS A 121 -7.411 -54.460 32.345 1.00 0.00 H +ATOM 1936 HD2 LYS A 121 -7.764 -55.298 34.580 1.00 0.00 H +ATOM 1937 HD3 LYS A 121 -9.222 -54.424 34.112 1.00 0.00 H +ATOM 1938 HE2 LYS A 121 -9.829 -56.560 35.154 1.00 0.00 H +ATOM 1939 HE3 LYS A 121 -10.269 -56.580 33.446 1.00 0.00 H +ATOM 1940 HZ1 LYS A 121 -8.772 -58.160 32.995 1.00 0.00 H +ATOM 1941 HZ2 LYS A 121 -8.809 -58.472 34.664 1.00 0.00 H +ATOM 1942 HZ3 LYS A 121 -7.588 -57.490 34.007 1.00 0.00 H +ATOM 1943 N PRO A 122 -9.749 -55.255 27.863 1.00 0.00 N +ATOM 1944 CA PRO A 122 -10.795 -55.342 26.835 1.00 0.00 C +ATOM 1945 C PRO A 122 -11.723 -56.538 27.067 1.00 0.00 C +ATOM 1946 O PRO A 122 -11.303 -57.582 27.526 1.00 0.00 O +ATOM 1947 CB PRO A 122 -10.007 -55.535 25.540 1.00 0.00 C +ATOM 1948 CG PRO A 122 -8.718 -56.148 25.972 1.00 0.00 C +ATOM 1949 CD PRO A 122 -8.414 -55.573 27.327 1.00 0.00 C +ATOM 1950 HA PRO A 122 -11.375 -54.437 26.763 1.00 0.00 H +ATOM 1951 HB2 PRO A 122 -10.555 -56.188 24.876 1.00 0.00 H +ATOM 1952 HB3 PRO A 122 -9.853 -54.579 25.062 1.00 0.00 H +ATOM 1953 HG2 PRO A 122 -8.824 -57.221 26.027 1.00 0.00 H +ATOM 1954 HG3 PRO A 122 -7.940 -55.894 25.267 1.00 0.00 H +ATOM 1955 HD2 PRO A 122 -7.904 -56.301 27.941 1.00 0.00 H +ATOM 1956 HD3 PRO A 122 -7.803 -54.688 27.234 1.00 0.00 H +ATOM 1957 N ARG A 123 -12.982 -56.394 26.754 1.00 0.00 N +ATOM 1958 CA ARG A 123 -13.934 -57.522 26.957 1.00 0.00 C +ATOM 1959 C ARG A 123 -14.798 -57.690 25.705 1.00 0.00 C +ATOM 1960 O ARG A 123 -14.719 -56.839 24.835 1.00 0.00 O +ATOM 1961 CB ARG A 123 -14.831 -57.222 28.159 1.00 0.00 C +ATOM 1962 CG ARG A 123 -13.968 -57.051 29.411 1.00 0.00 C +ATOM 1963 CD ARG A 123 -13.313 -58.388 29.765 1.00 0.00 C +ATOM 1964 NE ARG A 123 -12.560 -58.248 31.043 1.00 0.00 N +ATOM 1965 CZ ARG A 123 -12.823 -59.040 32.046 1.00 0.00 C +ATOM 1966 NH1 ARG A 123 -12.706 -60.332 31.905 1.00 0.00 N +ATOM 1967 NH2 ARG A 123 -13.204 -58.540 33.190 1.00 0.00 N +ATOM 1968 OXT ARG A 123 -15.524 -58.669 25.638 1.00 0.00 O +ATOM 1969 H ARG A 123 -13.300 -55.543 26.385 1.00 0.00 H +ATOM 1970 HA ARG A 123 -13.381 -58.431 27.138 1.00 0.00 H +ATOM 1971 HB2 ARG A 123 -15.386 -56.313 27.977 1.00 0.00 H +ATOM 1972 HB3 ARG A 123 -15.521 -58.041 28.307 1.00 0.00 H +ATOM 1973 HG2 ARG A 123 -13.202 -56.314 29.221 1.00 0.00 H +ATOM 1974 HG3 ARG A 123 -14.587 -56.724 30.233 1.00 0.00 H +ATOM 1975 HD2 ARG A 123 -14.076 -59.144 29.878 1.00 0.00 H +ATOM 1976 HD3 ARG A 123 -12.634 -58.676 28.977 1.00 0.00 H +ATOM 1977 HE ARG A 123 -11.867 -57.560 31.131 1.00 0.00 H +ATOM 1978 HH11 ARG A 123 -12.414 -60.715 31.029 1.00 0.00 H +ATOM 1979 HH12 ARG A 123 -12.908 -60.939 32.674 1.00 0.00 H +ATOM 1980 HH21 ARG A 123 -13.294 -57.550 33.297 1.00 0.00 H +ATOM 1981 HH22 ARG A 123 -13.406 -59.147 33.958 1.00 0.00 H +TER 1982 ARG A 123 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_FS_NUSG_2K06A_2LQ8A/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_NUSG_2K06A_2LQ8A/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cfade8d6b676f1f3b610be09323902a12381d46e --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_NUSG_2K06A_2LQ8A/state_b.pdb @@ -0,0 +1,2900 @@ +MODEL 1 +ATOM 1 N GLY A 1 -33.902 7.782 44.189 1.00 0.00 N +ATOM 2 CA GLY A 1 -35.160 8.568 44.335 1.00 0.00 C +ATOM 3 C GLY A 1 -34.998 9.923 43.643 1.00 0.00 C +ATOM 4 O GLY A 1 -33.954 10.542 43.705 1.00 0.00 O +ATOM 5 H1 GLY A 1 -34.100 6.905 43.667 1.00 0.00 H +ATOM 6 H2 GLY A 1 -33.529 7.549 45.132 1.00 0.00 H +ATOM 7 H3 GLY A 1 -33.201 8.343 43.666 1.00 0.00 H +ATOM 8 HA2 GLY A 1 -35.977 8.027 43.880 1.00 0.00 H +ATOM 9 HA3 GLY A 1 -35.369 8.722 45.383 1.00 0.00 H +ATOM 10 N ALA A 2 -36.022 10.389 42.982 1.00 0.00 N +ATOM 11 CA ALA A 2 -35.926 11.703 42.287 1.00 0.00 C +ATOM 12 C ALA A 2 -35.549 12.788 43.297 1.00 0.00 C +ATOM 13 O ALA A 2 -34.760 13.667 43.013 1.00 0.00 O +ATOM 14 CB ALA A 2 -37.277 12.044 41.654 1.00 0.00 C +ATOM 15 H ALA A 2 -36.856 9.874 42.944 1.00 0.00 H +ATOM 16 HA ALA A 2 -35.171 11.649 41.517 1.00 0.00 H +ATOM 17 HB1 ALA A 2 -37.364 11.545 40.700 1.00 0.00 H +ATOM 18 HB2 ALA A 2 -37.347 13.112 41.508 1.00 0.00 H +ATOM 19 HB3 ALA A 2 -38.073 11.717 42.305 1.00 0.00 H +ATOM 20 N MET A 3 -36.107 12.736 44.476 1.00 0.00 N +ATOM 21 CA MET A 3 -35.780 13.765 45.503 1.00 0.00 C +ATOM 22 C MET A 3 -34.261 13.878 45.648 1.00 0.00 C +ATOM 23 O MET A 3 -33.713 14.960 45.716 1.00 0.00 O +ATOM 24 CB MET A 3 -36.391 13.357 46.845 1.00 0.00 C +ATOM 25 CG MET A 3 -37.917 13.372 46.736 1.00 0.00 C +ATOM 26 SD MET A 3 -38.641 13.125 48.377 1.00 0.00 S +ATOM 27 CE MET A 3 -38.043 11.437 48.637 1.00 0.00 C +ATOM 28 H MET A 3 -36.741 12.019 44.685 1.00 0.00 H +ATOM 29 HA MET A 3 -36.185 14.719 45.198 1.00 0.00 H +ATOM 30 HB2 MET A 3 -36.058 12.363 47.105 1.00 0.00 H +ATOM 31 HB3 MET A 3 -36.077 14.053 47.609 1.00 0.00 H +ATOM 32 HG2 MET A 3 -38.240 14.322 46.339 1.00 0.00 H +ATOM 33 HG3 MET A 3 -38.238 12.578 46.078 1.00 0.00 H +ATOM 34 HE1 MET A 3 -37.259 11.445 49.382 1.00 0.00 H +ATOM 35 HE2 MET A 3 -37.652 11.045 47.712 1.00 0.00 H +ATOM 36 HE3 MET A 3 -38.861 10.815 48.974 1.00 0.00 H +ATOM 37 N LYS A 4 -33.576 12.769 45.696 1.00 0.00 N +ATOM 38 CA LYS A 4 -32.094 12.815 45.838 1.00 0.00 C +ATOM 39 C LYS A 4 -31.448 12.792 44.451 1.00 0.00 C +ATOM 40 O LYS A 4 -31.925 12.139 43.544 1.00 0.00 O +ATOM 41 CB LYS A 4 -31.619 11.602 46.641 1.00 0.00 C +ATOM 42 CG LYS A 4 -32.404 11.521 47.951 1.00 0.00 C +ATOM 43 CD LYS A 4 -32.086 12.744 48.813 1.00 0.00 C +ATOM 44 CE LYS A 4 -32.723 12.574 50.194 1.00 0.00 C +ATOM 45 NZ LYS A 4 -33.669 13.697 50.447 1.00 0.00 N +ATOM 46 H LYS A 4 -34.036 11.905 45.640 1.00 0.00 H +ATOM 47 HA LYS A 4 -31.809 13.721 46.352 1.00 0.00 H +ATOM 48 HB2 LYS A 4 -31.783 10.703 46.066 1.00 0.00 H +ATOM 49 HB3 LYS A 4 -30.566 11.704 46.858 1.00 0.00 H +ATOM 50 HG2 LYS A 4 -33.463 11.497 47.736 1.00 0.00 H +ATOM 51 HG3 LYS A 4 -32.125 10.623 48.482 1.00 0.00 H +ATOM 52 HD2 LYS A 4 -31.016 12.840 48.920 1.00 0.00 H +ATOM 53 HD3 LYS A 4 -32.482 13.630 48.341 1.00 0.00 H +ATOM 54 HE2 LYS A 4 -33.258 11.637 50.231 1.00 0.00 H +ATOM 55 HE3 LYS A 4 -31.951 12.578 50.949 1.00 0.00 H +ATOM 56 HZ1 LYS A 4 -33.168 14.473 50.924 1.00 0.00 H +ATOM 57 HZ2 LYS A 4 -34.448 13.363 51.050 1.00 0.00 H +ATOM 58 HZ3 LYS A 4 -34.051 14.039 49.542 1.00 0.00 H +ATOM 59 N LYS A 5 -30.365 13.498 44.280 1.00 0.00 N +ATOM 60 CA LYS A 5 -29.689 13.515 42.953 1.00 0.00 C +ATOM 61 C LYS A 5 -28.445 12.626 43.002 1.00 0.00 C +ATOM 62 O LYS A 5 -27.737 12.587 43.989 1.00 0.00 O +ATOM 63 CB LYS A 5 -29.280 14.947 42.607 1.00 0.00 C +ATOM 64 CG LYS A 5 -30.508 15.857 42.670 1.00 0.00 C +ATOM 65 CD LYS A 5 -30.110 17.278 42.268 1.00 0.00 C +ATOM 66 CE LYS A 5 -31.325 18.200 42.386 1.00 0.00 C +ATOM 67 NZ LYS A 5 -30.873 19.578 42.728 1.00 0.00 N +ATOM 68 H LYS A 5 -29.995 14.018 45.024 1.00 0.00 H +ATOM 69 HA LYS A 5 -30.366 13.144 42.199 1.00 0.00 H +ATOM 70 HB2 LYS A 5 -28.542 15.289 43.315 1.00 0.00 H +ATOM 71 HB3 LYS A 5 -28.863 14.973 41.611 1.00 0.00 H +ATOM 72 HG2 LYS A 5 -31.264 15.489 41.991 1.00 0.00 H +ATOM 73 HG3 LYS A 5 -30.900 15.863 43.676 1.00 0.00 H +ATOM 74 HD2 LYS A 5 -29.326 17.631 42.922 1.00 0.00 H +ATOM 75 HD3 LYS A 5 -29.755 17.279 41.248 1.00 0.00 H +ATOM 76 HE2 LYS A 5 -31.856 18.218 41.445 1.00 0.00 H +ATOM 77 HE3 LYS A 5 -31.981 17.834 43.162 1.00 0.00 H +ATOM 78 HZ1 LYS A 5 -31.454 19.953 43.504 1.00 0.00 H +ATOM 79 HZ2 LYS A 5 -30.973 20.192 41.893 1.00 0.00 H +ATOM 80 HZ3 LYS A 5 -29.877 19.553 43.023 1.00 0.00 H +ATOM 81 N LYS A 6 -28.172 11.911 41.945 1.00 0.00 N +ATOM 82 CA LYS A 6 -26.973 11.025 41.933 1.00 0.00 C +ATOM 83 C LYS A 6 -26.115 11.361 40.716 1.00 0.00 C +ATOM 84 O LYS A 6 -26.497 12.158 39.884 1.00 0.00 O +ATOM 85 CB LYS A 6 -27.419 9.564 41.859 1.00 0.00 C +ATOM 86 CG LYS A 6 -28.187 9.199 43.130 1.00 0.00 C +ATOM 87 CD LYS A 6 -27.668 7.867 43.675 1.00 0.00 C +ATOM 88 CE LYS A 6 -27.730 7.881 45.203 1.00 0.00 C +ATOM 89 NZ LYS A 6 -29.135 7.654 45.645 1.00 0.00 N +ATOM 90 H LYS A 6 -28.757 11.958 41.157 1.00 0.00 H +ATOM 91 HA LYS A 6 -26.399 11.183 42.835 1.00 0.00 H +ATOM 92 HB2 LYS A 6 -28.059 9.425 41.000 1.00 0.00 H +ATOM 93 HB3 LYS A 6 -26.551 8.927 41.767 1.00 0.00 H +ATOM 94 HG2 LYS A 6 -28.043 9.972 43.872 1.00 0.00 H +ATOM 95 HG3 LYS A 6 -29.239 9.110 42.903 1.00 0.00 H +ATOM 96 HD2 LYS A 6 -28.279 7.061 43.298 1.00 0.00 H +ATOM 97 HD3 LYS A 6 -26.646 7.723 43.358 1.00 0.00 H +ATOM 98 HE2 LYS A 6 -27.098 7.099 45.597 1.00 0.00 H +ATOM 99 HE3 LYS A 6 -27.389 8.838 45.569 1.00 0.00 H +ATOM 100 HZ1 LYS A 6 -29.781 8.209 45.049 1.00 0.00 H +ATOM 101 HZ2 LYS A 6 -29.239 7.948 46.638 1.00 0.00 H +ATOM 102 HZ3 LYS A 6 -29.367 6.644 45.557 1.00 0.00 H +ATOM 103 N TRP A 7 -24.964 10.761 40.596 1.00 0.00 N +ATOM 104 CA TRP A 7 -24.093 11.052 39.424 1.00 0.00 C +ATOM 105 C TRP A 7 -24.057 9.831 38.504 1.00 0.00 C +ATOM 106 O TRP A 7 -23.765 8.731 38.928 1.00 0.00 O +ATOM 107 CB TRP A 7 -22.675 11.366 39.906 1.00 0.00 C +ATOM 108 CG TRP A 7 -22.643 12.726 40.526 1.00 0.00 C +ATOM 109 CD1 TRP A 7 -23.075 13.023 41.774 1.00 0.00 C +ATOM 110 CD2 TRP A 7 -22.161 13.976 39.953 1.00 0.00 C +ATOM 111 NE1 TRP A 7 -22.889 14.375 42.002 1.00 0.00 N +ATOM 112 CE2 TRP A 7 -22.329 15.005 40.909 1.00 0.00 C +ATOM 113 CE3 TRP A 7 -21.601 14.313 38.708 1.00 0.00 C +ATOM 114 CZ2 TRP A 7 -21.955 16.322 40.639 1.00 0.00 C +ATOM 115 CZ3 TRP A 7 -21.223 15.637 38.433 1.00 0.00 C +ATOM 116 CH2 TRP A 7 -21.399 16.640 39.397 1.00 0.00 C +ATOM 117 H TRP A 7 -24.668 10.113 41.270 1.00 0.00 H +ATOM 118 HA TRP A 7 -24.486 11.901 38.883 1.00 0.00 H +ATOM 119 HB2 TRP A 7 -22.374 10.630 40.638 1.00 0.00 H +ATOM 120 HB3 TRP A 7 -21.995 11.337 39.067 1.00 0.00 H +ATOM 121 HD1 TRP A 7 -23.495 12.320 42.477 1.00 0.00 H +ATOM 122 HE1 TRP A 7 -23.120 14.847 42.829 1.00 0.00 H +ATOM 123 HE3 TRP A 7 -21.460 13.548 37.958 1.00 0.00 H +ATOM 124 HZ2 TRP A 7 -22.092 17.090 41.386 1.00 0.00 H +ATOM 125 HZ3 TRP A 7 -20.793 15.884 37.473 1.00 0.00 H +ATOM 126 HH2 TRP A 7 -21.105 17.656 39.180 1.00 0.00 H +ATOM 127 N TYR A 8 -24.354 10.014 37.247 1.00 0.00 N +ATOM 128 CA TYR A 8 -24.336 8.860 36.303 1.00 0.00 C +ATOM 129 C TYR A 8 -23.299 9.115 35.208 1.00 0.00 C +ATOM 130 O TYR A 8 -22.802 10.212 35.053 1.00 0.00 O +ATOM 131 CB TYR A 8 -25.719 8.699 35.669 1.00 0.00 C +ATOM 132 CG TYR A 8 -26.755 8.532 36.754 1.00 0.00 C +ATOM 133 CD1 TYR A 8 -26.990 7.269 37.309 1.00 0.00 C +ATOM 134 CD2 TYR A 8 -27.480 9.642 37.206 1.00 0.00 C +ATOM 135 CE1 TYR A 8 -27.950 7.114 38.317 1.00 0.00 C +ATOM 136 CE2 TYR A 8 -28.440 9.487 38.213 1.00 0.00 C +ATOM 137 CZ TYR A 8 -28.675 8.224 38.768 1.00 0.00 C +ATOM 138 OH TYR A 8 -29.622 8.072 39.760 1.00 0.00 O +ATOM 139 H TYR A 8 -24.589 10.908 36.923 1.00 0.00 H +ATOM 140 HA TYR A 8 -24.079 7.959 36.840 1.00 0.00 H +ATOM 141 HB2 TYR A 8 -25.950 9.576 35.082 1.00 0.00 H +ATOM 142 HB3 TYR A 8 -25.723 7.828 35.031 1.00 0.00 H +ATOM 143 HD1 TYR A 8 -26.431 6.413 36.962 1.00 0.00 H +ATOM 144 HD2 TYR A 8 -27.298 10.617 36.778 1.00 0.00 H +ATOM 145 HE1 TYR A 8 -28.132 6.140 38.745 1.00 0.00 H +ATOM 146 HE2 TYR A 8 -28.999 10.343 38.561 1.00 0.00 H +ATOM 147 HH TYR A 8 -29.161 7.931 40.591 1.00 0.00 H +ATOM 148 N ILE A 9 -22.969 8.109 34.444 1.00 0.00 N +ATOM 149 CA ILE A 9 -21.966 8.297 33.359 1.00 0.00 C +ATOM 150 C ILE A 9 -22.687 8.383 32.013 1.00 0.00 C +ATOM 151 O ILE A 9 -23.356 7.457 31.596 1.00 0.00 O +ATOM 152 CB ILE A 9 -20.997 7.113 33.346 1.00 0.00 C +ATOM 153 CG1 ILE A 9 -20.187 7.103 34.645 1.00 0.00 C +ATOM 154 CG2 ILE A 9 -20.047 7.246 32.154 1.00 0.00 C +ATOM 155 CD1 ILE A 9 -19.346 5.827 34.712 1.00 0.00 C +ATOM 156 H ILE A 9 -23.382 7.231 34.582 1.00 0.00 H +ATOM 157 HA ILE A 9 -21.416 9.211 33.532 1.00 0.00 H +ATOM 158 HB ILE A 9 -21.554 6.192 33.262 1.00 0.00 H +ATOM 159 HG12 ILE A 9 -19.537 7.964 34.670 1.00 0.00 H +ATOM 160 HG13 ILE A 9 -20.860 7.135 35.489 1.00 0.00 H +ATOM 161 HG21 ILE A 9 -19.914 8.291 31.915 1.00 0.00 H +ATOM 162 HG22 ILE A 9 -20.465 6.732 31.301 1.00 0.00 H +ATOM 163 HG23 ILE A 9 -19.091 6.809 32.405 1.00 0.00 H +ATOM 164 HD11 ILE A 9 -19.585 5.284 35.615 1.00 0.00 H +ATOM 165 HD12 ILE A 9 -18.297 6.087 34.715 1.00 0.00 H +ATOM 166 HD13 ILE A 9 -19.561 5.208 33.853 1.00 0.00 H +ATOM 167 N VAL A 10 -22.557 9.487 31.329 1.00 0.00 N +ATOM 168 CA VAL A 10 -23.237 9.630 30.011 1.00 0.00 C +ATOM 169 C VAL A 10 -22.304 9.145 28.901 1.00 0.00 C +ATOM 170 O VAL A 10 -21.124 9.434 28.897 1.00 0.00 O +ATOM 171 CB VAL A 10 -23.587 11.101 29.775 1.00 0.00 C +ATOM 172 CG1 VAL A 10 -24.262 11.251 28.410 1.00 0.00 C +ATOM 173 CG2 VAL A 10 -24.541 11.581 30.870 1.00 0.00 C +ATOM 174 H VAL A 10 -22.012 10.221 31.682 1.00 0.00 H +ATOM 175 HA VAL A 10 -24.140 9.039 30.006 1.00 0.00 H +ATOM 176 HB VAL A 10 -22.685 11.694 29.797 1.00 0.00 H +ATOM 177 HG11 VAL A 10 -23.694 10.711 27.667 1.00 0.00 H +ATOM 178 HG12 VAL A 10 -24.304 12.296 28.142 1.00 0.00 H +ATOM 179 HG13 VAL A 10 -25.264 10.852 28.458 1.00 0.00 H +ATOM 180 HG21 VAL A 10 -25.275 10.815 31.071 1.00 0.00 H +ATOM 181 HG22 VAL A 10 -25.040 12.482 30.544 1.00 0.00 H +ATOM 182 HG23 VAL A 10 -23.981 11.786 31.771 1.00 0.00 H +ATOM 183 N LEU A 11 -22.825 8.411 27.956 1.00 0.00 N +ATOM 184 CA LEU A 11 -21.973 7.909 26.845 1.00 0.00 C +ATOM 185 C LEU A 11 -21.970 8.934 25.709 1.00 0.00 C +ATOM 186 O LEU A 11 -22.975 9.549 25.414 1.00 0.00 O +ATOM 187 CB LEU A 11 -22.537 6.581 26.335 1.00 0.00 C +ATOM 188 CG LEU A 11 -21.445 5.511 26.372 1.00 0.00 C +ATOM 189 CD1 LEU A 11 -20.138 6.100 25.839 1.00 0.00 C +ATOM 190 CD2 LEU A 11 -21.241 5.039 27.813 1.00 0.00 C +ATOM 191 H LEU A 11 -23.777 8.190 27.976 1.00 0.00 H +ATOM 192 HA LEU A 11 -20.966 7.762 27.203 1.00 0.00 H +ATOM 193 HB2 LEU A 11 -23.360 6.275 26.964 1.00 0.00 H +ATOM 194 HB3 LEU A 11 -22.887 6.704 25.321 1.00 0.00 H +ATOM 195 HG LEU A 11 -21.739 4.674 25.758 1.00 0.00 H +ATOM 196 HD11 LEU A 11 -19.514 5.307 25.457 1.00 0.00 H +ATOM 197 HD12 LEU A 11 -19.623 6.612 26.639 1.00 0.00 H +ATOM 198 HD13 LEU A 11 -20.358 6.801 25.048 1.00 0.00 H +ATOM 199 HD21 LEU A 11 -22.092 4.450 28.123 1.00 0.00 H +ATOM 200 HD22 LEU A 11 -21.140 5.896 28.462 1.00 0.00 H +ATOM 201 HD23 LEU A 11 -20.346 4.437 27.871 1.00 0.00 H +ATOM 202 N THR A 12 -20.849 9.123 25.069 1.00 0.00 N +ATOM 203 CA THR A 12 -20.786 10.109 23.953 1.00 0.00 C +ATOM 204 C THR A 12 -19.618 9.757 23.031 1.00 0.00 C +ATOM 205 O THR A 12 -18.989 8.727 23.177 1.00 0.00 O +ATOM 206 CB THR A 12 -20.582 11.514 24.525 1.00 0.00 C +ATOM 207 OG1 THR A 12 -20.631 12.464 23.469 1.00 0.00 O +ATOM 208 CG2 THR A 12 -19.221 11.591 25.221 1.00 0.00 C +ATOM 209 H THR A 12 -20.046 8.619 25.319 1.00 0.00 H +ATOM 210 HA THR A 12 -21.709 10.078 23.394 1.00 0.00 H +ATOM 211 HB THR A 12 -21.359 11.729 25.240 1.00 0.00 H +ATOM 212 HG1 THR A 12 -19.735 12.759 23.290 1.00 0.00 H +ATOM 213 HG21 THR A 12 -19.158 12.509 25.787 1.00 0.00 H +ATOM 214 HG22 THR A 12 -18.437 11.571 24.480 1.00 0.00 H +ATOM 215 HG23 THR A 12 -19.110 10.749 25.887 1.00 0.00 H +ATOM 216 N MET A 13 -19.321 10.601 22.083 1.00 0.00 N +ATOM 217 CA MET A 13 -18.193 10.310 21.154 1.00 0.00 C +ATOM 218 C MET A 13 -16.998 11.198 21.507 1.00 0.00 C +ATOM 219 O MET A 13 -17.100 12.409 21.537 1.00 0.00 O +ATOM 220 CB MET A 13 -18.632 10.592 19.715 1.00 0.00 C +ATOM 221 CG MET A 13 -19.797 9.672 19.349 1.00 0.00 C +ATOM 222 SD MET A 13 -20.281 9.966 17.630 1.00 0.00 S +ATOM 223 CE MET A 13 -18.766 9.349 16.859 1.00 0.00 C +ATOM 224 H MET A 13 -19.840 11.427 21.981 1.00 0.00 H +ATOM 225 HA MET A 13 -17.909 9.272 21.246 1.00 0.00 H +ATOM 226 HB2 MET A 13 -18.946 11.622 19.630 1.00 0.00 H +ATOM 227 HB3 MET A 13 -17.805 10.411 19.045 1.00 0.00 H +ATOM 228 HG2 MET A 13 -19.493 8.642 19.467 1.00 0.00 H +ATOM 229 HG3 MET A 13 -20.635 9.875 20.000 1.00 0.00 H +ATOM 230 HE1 MET A 13 -19.002 8.506 16.225 1.00 0.00 H +ATOM 231 HE2 MET A 13 -18.073 9.037 17.623 1.00 0.00 H +ATOM 232 HE3 MET A 13 -18.316 10.136 16.268 1.00 0.00 H +ATOM 233 N SER A 14 -15.866 10.606 21.775 1.00 0.00 N +ATOM 234 CA SER A 14 -14.666 11.416 22.127 1.00 0.00 C +ATOM 235 C SER A 14 -14.573 12.620 21.189 1.00 0.00 C +ATOM 236 O SER A 14 -14.599 12.483 19.982 1.00 0.00 O +ATOM 237 CB SER A 14 -13.409 10.555 21.976 1.00 0.00 C +ATOM 238 OG SER A 14 -12.309 11.212 22.588 1.00 0.00 O +ATOM 239 H SER A 14 -15.806 9.628 21.746 1.00 0.00 H +ATOM 240 HA SER A 14 -14.748 11.758 23.147 1.00 0.00 H +ATOM 241 HB2 SER A 14 -13.568 9.599 22.453 1.00 0.00 H +ATOM 242 HB3 SER A 14 -13.200 10.403 20.928 1.00 0.00 H +ATOM 243 HG SER A 14 -12.643 11.720 23.331 1.00 0.00 H +ATOM 244 N GLY A 15 -14.464 13.803 21.733 1.00 0.00 N +ATOM 245 CA GLY A 15 -14.371 15.015 20.872 1.00 0.00 C +ATOM 246 C GLY A 15 -15.708 15.760 20.896 1.00 0.00 C +ATOM 247 O GLY A 15 -15.784 16.931 20.579 1.00 0.00 O +ATOM 248 H GLY A 15 -14.445 13.897 22.708 1.00 0.00 H +ATOM 249 HA2 GLY A 15 -13.591 15.662 21.246 1.00 0.00 H +ATOM 250 HA3 GLY A 15 -14.140 14.721 19.859 1.00 0.00 H +ATOM 251 N TYR A 16 -16.764 15.090 21.270 1.00 0.00 N +ATOM 252 CA TYR A 16 -18.095 15.759 21.313 1.00 0.00 C +ATOM 253 C TYR A 16 -18.519 15.968 22.769 1.00 0.00 C +ATOM 254 O TYR A 16 -19.603 16.441 23.047 1.00 0.00 O +ATOM 255 CB TYR A 16 -19.129 14.883 20.603 1.00 0.00 C +ATOM 256 CG TYR A 16 -18.743 14.726 19.152 1.00 0.00 C +ATOM 257 CD1 TYR A 16 -19.206 15.643 18.200 1.00 0.00 C +ATOM 258 CD2 TYR A 16 -17.922 13.663 18.758 1.00 0.00 C +ATOM 259 CE1 TYR A 16 -18.848 15.496 16.855 1.00 0.00 C +ATOM 260 CE2 TYR A 16 -17.564 13.516 17.412 1.00 0.00 C +ATOM 261 CZ TYR A 16 -18.027 14.433 16.461 1.00 0.00 C +ATOM 262 OH TYR A 16 -17.674 14.290 15.135 1.00 0.00 O +ATOM 263 H TYR A 16 -16.681 14.145 21.516 1.00 0.00 H +ATOM 264 HA TYR A 16 -18.033 16.716 20.816 1.00 0.00 H +ATOM 265 HB2 TYR A 16 -19.163 13.912 21.075 1.00 0.00 H +ATOM 266 HB3 TYR A 16 -20.101 15.348 20.668 1.00 0.00 H +ATOM 267 HD1 TYR A 16 -19.840 16.462 18.505 1.00 0.00 H +ATOM 268 HD2 TYR A 16 -17.565 12.956 19.492 1.00 0.00 H +ATOM 269 HE1 TYR A 16 -19.205 16.203 16.121 1.00 0.00 H +ATOM 270 HE2 TYR A 16 -16.930 12.697 17.108 1.00 0.00 H +ATOM 271 HH TYR A 16 -18.450 14.474 14.600 1.00 0.00 H +ATOM 272 N GLU A 17 -17.673 15.620 23.700 1.00 0.00 N +ATOM 273 CA GLU A 17 -18.032 15.801 25.136 1.00 0.00 C +ATOM 274 C GLU A 17 -18.350 17.274 25.402 1.00 0.00 C +ATOM 275 O GLU A 17 -19.437 17.616 25.824 1.00 0.00 O +ATOM 276 CB GLU A 17 -16.857 15.367 26.014 1.00 0.00 C +ATOM 277 CG GLU A 17 -16.575 13.880 25.790 1.00 0.00 C +ATOM 278 CD GLU A 17 -15.395 13.447 26.663 1.00 0.00 C +ATOM 279 OE1 GLU A 17 -14.737 14.318 27.208 1.00 0.00 O +ATOM 280 OE2 GLU A 17 -15.170 12.253 26.770 1.00 0.00 O +ATOM 281 H GLU A 17 -16.803 15.241 23.456 1.00 0.00 H +ATOM 282 HA GLU A 17 -18.897 15.198 25.369 1.00 0.00 H +ATOM 283 HB2 GLU A 17 -15.981 15.943 25.754 1.00 0.00 H +ATOM 284 HB3 GLU A 17 -17.102 15.534 27.052 1.00 0.00 H +ATOM 285 HG2 GLU A 17 -17.449 13.304 26.055 1.00 0.00 H +ATOM 286 HG3 GLU A 17 -16.335 13.711 24.751 1.00 0.00 H +ATOM 287 N GLU A 18 -17.413 18.149 25.159 1.00 0.00 N +ATOM 288 CA GLU A 18 -17.666 19.598 25.399 1.00 0.00 C +ATOM 289 C GLU A 18 -19.009 19.989 24.779 1.00 0.00 C +ATOM 290 O GLU A 18 -19.753 20.775 25.332 1.00 0.00 O +ATOM 291 CB GLU A 18 -16.549 20.424 24.758 1.00 0.00 C +ATOM 292 CG GLU A 18 -15.207 20.037 25.383 1.00 0.00 C +ATOM 293 CD GLU A 18 -14.092 20.876 24.756 1.00 0.00 C +ATOM 294 OE1 GLU A 18 -14.358 21.529 23.760 1.00 0.00 O +ATOM 295 OE2 GLU A 18 -12.992 20.851 25.281 1.00 0.00 O +ATOM 296 H GLU A 18 -16.543 17.852 24.818 1.00 0.00 H +ATOM 297 HA GLU A 18 -17.692 19.787 26.462 1.00 0.00 H +ATOM 298 HB2 GLU A 18 -16.521 20.230 23.696 1.00 0.00 H +ATOM 299 HB3 GLU A 18 -16.736 21.475 24.928 1.00 0.00 H +ATOM 300 HG2 GLU A 18 -15.240 20.220 26.448 1.00 0.00 H +ATOM 301 HG3 GLU A 18 -15.015 18.990 25.205 1.00 0.00 H +ATOM 302 N LYS A 19 -19.327 19.446 23.636 1.00 0.00 N +ATOM 303 CA LYS A 19 -20.622 19.786 22.985 1.00 0.00 C +ATOM 304 C LYS A 19 -21.771 19.202 23.810 1.00 0.00 C +ATOM 305 O LYS A 19 -22.772 19.849 24.044 1.00 0.00 O +ATOM 306 CB LYS A 19 -20.654 19.197 21.573 1.00 0.00 C +ATOM 307 CG LYS A 19 -19.599 19.890 20.708 1.00 0.00 C +ATOM 308 CD LYS A 19 -19.770 19.459 19.250 1.00 0.00 C +ATOM 309 CE LYS A 19 -18.575 19.949 18.429 1.00 0.00 C +ATOM 310 NZ LYS A 19 -19.062 20.753 17.272 1.00 0.00 N +ATOM 311 H LYS A 19 -18.713 18.813 23.208 1.00 0.00 H +ATOM 312 HA LYS A 19 -20.727 20.860 22.930 1.00 0.00 H +ATOM 313 HB2 LYS A 19 -20.444 18.139 21.619 1.00 0.00 H +ATOM 314 HB3 LYS A 19 -21.632 19.350 21.140 1.00 0.00 H +ATOM 315 HG2 LYS A 19 -19.720 20.961 20.782 1.00 0.00 H +ATOM 316 HG3 LYS A 19 -18.613 19.614 21.052 1.00 0.00 H +ATOM 317 HD2 LYS A 19 -19.826 18.382 19.197 1.00 0.00 H +ATOM 318 HD3 LYS A 19 -20.678 19.887 18.852 1.00 0.00 H +ATOM 319 HE2 LYS A 19 -17.939 20.562 19.050 1.00 0.00 H +ATOM 320 HE3 LYS A 19 -18.015 19.100 18.067 1.00 0.00 H +ATOM 321 HZ1 LYS A 19 -18.837 21.756 17.427 1.00 0.00 H +ATOM 322 HZ2 LYS A 19 -20.092 20.637 17.180 1.00 0.00 H +ATOM 323 HZ3 LYS A 19 -18.596 20.426 16.402 1.00 0.00 H +ATOM 324 N VAL A 20 -21.632 17.983 24.253 1.00 0.00 N +ATOM 325 CA VAL A 20 -22.713 17.357 25.065 1.00 0.00 C +ATOM 326 C VAL A 20 -22.965 18.198 26.318 1.00 0.00 C +ATOM 327 O VAL A 20 -24.093 18.488 26.666 1.00 0.00 O +ATOM 328 CB VAL A 20 -22.287 15.946 25.477 1.00 0.00 C +ATOM 329 CG1 VAL A 20 -23.341 15.344 26.407 1.00 0.00 C +ATOM 330 CG2 VAL A 20 -22.147 15.070 24.229 1.00 0.00 C +ATOM 331 H VAL A 20 -20.816 17.479 24.053 1.00 0.00 H +ATOM 332 HA VAL A 20 -23.619 17.302 24.479 1.00 0.00 H +ATOM 333 HB VAL A 20 -21.338 15.994 25.990 1.00 0.00 H +ATOM 334 HG11 VAL A 20 -22.907 14.522 26.958 1.00 0.00 H +ATOM 335 HG12 VAL A 20 -24.175 14.986 25.822 1.00 0.00 H +ATOM 336 HG13 VAL A 20 -23.684 16.099 27.099 1.00 0.00 H +ATOM 337 HG21 VAL A 20 -22.364 15.659 23.350 1.00 0.00 H +ATOM 338 HG22 VAL A 20 -22.841 14.246 24.290 1.00 0.00 H +ATOM 339 HG23 VAL A 20 -21.139 14.689 24.167 1.00 0.00 H +ATOM 340 N LYS A 21 -21.924 18.591 27.001 1.00 0.00 N +ATOM 341 CA LYS A 21 -22.106 19.411 28.233 1.00 0.00 C +ATOM 342 C LYS A 21 -22.894 20.678 27.893 1.00 0.00 C +ATOM 343 O LYS A 21 -23.861 21.012 28.547 1.00 0.00 O +ATOM 344 CB LYS A 21 -20.738 19.799 28.798 1.00 0.00 C +ATOM 345 CG LYS A 21 -20.929 20.604 30.086 1.00 0.00 C +ATOM 346 CD LYS A 21 -19.563 21.020 30.636 1.00 0.00 C +ATOM 347 CE LYS A 21 -19.738 21.621 32.033 1.00 0.00 C +ATOM 348 NZ LYS A 21 -19.467 23.085 31.983 1.00 0.00 N +ATOM 349 H LYS A 21 -21.022 18.345 26.706 1.00 0.00 H +ATOM 350 HA LYS A 21 -22.650 18.838 28.969 1.00 0.00 H +ATOM 351 HB2 LYS A 21 -20.171 18.906 29.012 1.00 0.00 H +ATOM 352 HB3 LYS A 21 -20.206 20.399 28.074 1.00 0.00 H +ATOM 353 HG2 LYS A 21 -21.516 21.486 29.876 1.00 0.00 H +ATOM 354 HG3 LYS A 21 -21.443 19.996 30.817 1.00 0.00 H +ATOM 355 HD2 LYS A 21 -18.921 20.155 30.696 1.00 0.00 H +ATOM 356 HD3 LYS A 21 -19.120 21.756 29.982 1.00 0.00 H +ATOM 357 HE2 LYS A 21 -20.750 21.454 32.373 1.00 0.00 H +ATOM 358 HE3 LYS A 21 -19.047 21.150 32.717 1.00 0.00 H +ATOM 359 HZ1 LYS A 21 -19.096 23.338 31.045 1.00 0.00 H +ATOM 360 HZ2 LYS A 21 -18.767 23.333 32.712 1.00 0.00 H +ATOM 361 HZ3 LYS A 21 -20.349 23.608 32.157 1.00 0.00 H +ATOM 362 N GLU A 22 -22.489 21.387 26.874 1.00 0.00 N +ATOM 363 CA GLU A 22 -23.217 22.630 26.495 1.00 0.00 C +ATOM 364 C GLU A 22 -24.632 22.271 26.038 1.00 0.00 C +ATOM 365 O GLU A 22 -25.594 22.922 26.393 1.00 0.00 O +ATOM 366 CB GLU A 22 -22.474 23.331 25.356 1.00 0.00 C +ATOM 367 CG GLU A 22 -23.164 24.659 25.038 1.00 0.00 C +ATOM 368 CD GLU A 22 -22.511 25.290 23.806 1.00 0.00 C +ATOM 369 OE1 GLU A 22 -21.626 24.666 23.244 1.00 0.00 O +ATOM 370 OE2 GLU A 22 -22.907 26.386 23.447 1.00 0.00 O +ATOM 371 H GLU A 22 -21.707 21.101 26.357 1.00 0.00 H +ATOM 372 HA GLU A 22 -23.272 23.289 27.349 1.00 0.00 H +ATOM 373 HB2 GLU A 22 -21.453 23.518 25.655 1.00 0.00 H +ATOM 374 HB3 GLU A 22 -22.483 22.701 24.479 1.00 0.00 H +ATOM 375 HG2 GLU A 22 -24.211 24.483 24.839 1.00 0.00 H +ATOM 376 HG3 GLU A 22 -23.065 25.328 25.880 1.00 0.00 H +ATOM 377 N ASN A 23 -24.767 21.238 25.252 1.00 0.00 N +ATOM 378 CA ASN A 23 -26.119 20.837 24.773 1.00 0.00 C +ATOM 379 C ASN A 23 -27.042 20.629 25.974 1.00 0.00 C +ATOM 380 O ASN A 23 -28.202 20.990 25.949 1.00 0.00 O +ATOM 381 CB ASN A 23 -26.014 19.534 23.978 1.00 0.00 C +ATOM 382 CG ASN A 23 -25.179 19.771 22.718 1.00 0.00 C +ATOM 383 OD1 ASN A 23 -25.200 20.848 22.155 1.00 0.00 O +ATOM 384 ND2 ASN A 23 -24.440 18.803 22.248 1.00 0.00 N +ATOM 385 H ASN A 23 -23.977 20.725 24.978 1.00 0.00 H +ATOM 386 HA ASN A 23 -26.522 21.614 24.139 1.00 0.00 H +ATOM 387 HB2 ASN A 23 -25.540 18.778 24.587 1.00 0.00 H +ATOM 388 HB3 ASN A 23 -27.003 19.202 23.698 1.00 0.00 H +ATOM 389 HD21 ASN A 23 -24.424 17.935 22.702 1.00 0.00 H +ATOM 390 HD22 ASN A 23 -23.847 18.966 21.485 1.00 0.00 H +ATOM 391 N ILE A 24 -26.536 20.046 27.026 1.00 0.00 N +ATOM 392 CA ILE A 24 -27.383 19.812 28.227 1.00 0.00 C +ATOM 393 C ILE A 24 -27.783 21.154 28.843 1.00 0.00 C +ATOM 394 O ILE A 24 -28.920 21.361 29.217 1.00 0.00 O +ATOM 395 CB ILE A 24 -26.597 18.995 29.254 1.00 0.00 C +ATOM 396 CG1 ILE A 24 -26.245 17.630 28.660 1.00 0.00 C +ATOM 397 CG2 ILE A 24 -27.449 18.801 30.509 1.00 0.00 C +ATOM 398 CD1 ILE A 24 -25.252 16.914 29.577 1.00 0.00 C +ATOM 399 H ILE A 24 -25.598 19.762 27.023 1.00 0.00 H +ATOM 400 HA ILE A 24 -28.271 19.269 27.940 1.00 0.00 H +ATOM 401 HB ILE A 24 -25.689 19.519 29.512 1.00 0.00 H +ATOM 402 HG12 ILE A 24 -27.142 17.036 28.566 1.00 0.00 H +ATOM 403 HG13 ILE A 24 -25.800 17.766 27.684 1.00 0.00 H +ATOM 404 HG21 ILE A 24 -27.227 19.584 31.220 1.00 0.00 H +ATOM 405 HG22 ILE A 24 -27.226 17.841 30.951 1.00 0.00 H +ATOM 406 HG23 ILE A 24 -28.495 18.841 30.244 1.00 0.00 H +ATOM 407 HD11 ILE A 24 -24.919 16.001 29.105 1.00 0.00 H +ATOM 408 HD12 ILE A 24 -25.734 16.679 30.515 1.00 0.00 H +ATOM 409 HD13 ILE A 24 -24.403 17.556 29.758 1.00 0.00 H +ATOM 410 N GLU A 25 -26.859 22.070 28.956 1.00 0.00 N +ATOM 411 CA GLU A 25 -27.189 23.394 29.553 1.00 0.00 C +ATOM 412 C GLU A 25 -28.350 24.036 28.790 1.00 0.00 C +ATOM 413 O GLU A 25 -29.301 24.512 29.379 1.00 0.00 O +ATOM 414 CB GLU A 25 -25.964 24.307 29.473 1.00 0.00 C +ATOM 415 CG GLU A 25 -26.272 25.635 30.165 1.00 0.00 C +ATOM 416 CD GLU A 25 -25.112 26.608 29.939 1.00 0.00 C +ATOM 417 OE1 GLU A 25 -24.146 26.211 29.309 1.00 0.00 O +ATOM 418 OE2 GLU A 25 -25.211 27.733 30.399 1.00 0.00 O +ATOM 419 H GLU A 25 -25.944 21.890 28.654 1.00 0.00 H +ATOM 420 HA GLU A 25 -27.469 23.263 30.586 1.00 0.00 H +ATOM 421 HB2 GLU A 25 -25.128 23.830 29.964 1.00 0.00 H +ATOM 422 HB3 GLU A 25 -25.719 24.489 28.440 1.00 0.00 H +ATOM 423 HG2 GLU A 25 -27.178 26.053 29.754 1.00 0.00 H +ATOM 424 HG3 GLU A 25 -26.399 25.467 31.223 1.00 0.00 H +ATOM 425 N LYS A 26 -28.283 24.061 27.487 1.00 0.00 N +ATOM 426 CA LYS A 26 -29.386 24.679 26.699 1.00 0.00 C +ATOM 427 C LYS A 26 -30.564 23.707 26.615 1.00 0.00 C +ATOM 428 O LYS A 26 -31.711 24.107 26.627 1.00 0.00 O +ATOM 429 CB LYS A 26 -28.886 25.003 25.289 1.00 0.00 C +ATOM 430 CG LYS A 26 -27.711 25.980 25.380 1.00 0.00 C +ATOM 431 CD LYS A 26 -27.187 26.282 23.974 1.00 0.00 C +ATOM 432 CE LYS A 26 -25.910 27.119 24.075 1.00 0.00 C +ATOM 433 NZ LYS A 26 -26.266 28.566 24.111 1.00 0.00 N +ATOM 434 H LYS A 26 -27.510 23.677 27.023 1.00 0.00 H +ATOM 435 HA LYS A 26 -29.706 25.590 27.183 1.00 0.00 H +ATOM 436 HB2 LYS A 26 -28.563 24.094 24.804 1.00 0.00 H +ATOM 437 HB3 LYS A 26 -29.684 25.453 24.718 1.00 0.00 H +ATOM 438 HG2 LYS A 26 -28.040 26.896 25.846 1.00 0.00 H +ATOM 439 HG3 LYS A 26 -26.921 25.539 25.970 1.00 0.00 H +ATOM 440 HD2 LYS A 26 -26.971 25.355 23.463 1.00 0.00 H +ATOM 441 HD3 LYS A 26 -27.935 26.831 23.422 1.00 0.00 H +ATOM 442 HE2 LYS A 26 -25.378 26.857 24.978 1.00 0.00 H +ATOM 443 HE3 LYS A 26 -25.283 26.925 23.218 1.00 0.00 H +ATOM 444 HZ1 LYS A 26 -27.261 28.672 24.394 1.00 0.00 H +ATOM 445 HZ2 LYS A 26 -26.126 28.981 23.167 1.00 0.00 H +ATOM 446 HZ3 LYS A 26 -25.659 29.056 24.798 1.00 0.00 H +ATOM 447 N LYS A 27 -30.292 22.433 26.532 1.00 0.00 N +ATOM 448 CA LYS A 27 -31.404 21.444 26.451 1.00 0.00 C +ATOM 449 C LYS A 27 -32.367 21.677 27.614 1.00 0.00 C +ATOM 450 O LYS A 27 -33.560 21.480 27.495 1.00 0.00 O +ATOM 451 CB LYS A 27 -30.834 20.025 26.535 1.00 0.00 C +ATOM 452 CG LYS A 27 -31.919 19.018 26.151 1.00 0.00 C +ATOM 453 CD LYS A 27 -32.058 18.975 24.628 1.00 0.00 C +ATOM 454 CE LYS A 27 -33.420 18.385 24.258 1.00 0.00 C +ATOM 455 NZ LYS A 27 -33.284 17.550 23.031 1.00 0.00 N +ATOM 456 H LYS A 27 -29.361 22.128 26.526 1.00 0.00 H +ATOM 457 HA LYS A 27 -31.930 21.566 25.516 1.00 0.00 H +ATOM 458 HB2 LYS A 27 -29.999 19.931 25.857 1.00 0.00 H +ATOM 459 HB3 LYS A 27 -30.503 19.830 27.544 1.00 0.00 H +ATOM 460 HG2 LYS A 27 -31.645 18.038 26.515 1.00 0.00 H +ATOM 461 HG3 LYS A 27 -32.859 19.315 26.590 1.00 0.00 H +ATOM 462 HD2 LYS A 27 -31.980 19.976 24.231 1.00 0.00 H +ATOM 463 HD3 LYS A 27 -31.274 18.360 24.211 1.00 0.00 H +ATOM 464 HE2 LYS A 27 -33.779 17.773 25.072 1.00 0.00 H +ATOM 465 HE3 LYS A 27 -34.120 19.186 24.073 1.00 0.00 H +ATOM 466 HZ1 LYS A 27 -33.205 18.167 22.198 1.00 0.00 H +ATOM 467 HZ2 LYS A 27 -34.121 16.938 22.934 1.00 0.00 H +ATOM 468 HZ3 LYS A 27 -32.430 16.961 23.104 1.00 0.00 H +ATOM 469 N VAL A 28 -31.858 22.100 28.738 1.00 0.00 N +ATOM 470 CA VAL A 28 -32.741 22.354 29.910 1.00 0.00 C +ATOM 471 C VAL A 28 -33.231 23.803 29.869 1.00 0.00 C +ATOM 472 O VAL A 28 -34.217 24.155 30.486 1.00 0.00 O +ATOM 473 CB VAL A 28 -31.952 22.113 31.201 1.00 0.00 C +ATOM 474 CG1 VAL A 28 -32.685 22.758 32.379 1.00 0.00 C +ATOM 475 CG2 VAL A 28 -31.822 20.607 31.444 1.00 0.00 C +ATOM 476 H VAL A 28 -30.893 22.256 28.810 1.00 0.00 H +ATOM 477 HA VAL A 28 -33.588 21.686 29.875 1.00 0.00 H +ATOM 478 HB VAL A 28 -30.968 22.548 31.108 1.00 0.00 H +ATOM 479 HG11 VAL A 28 -33.747 22.767 32.181 1.00 0.00 H +ATOM 480 HG12 VAL A 28 -32.335 23.771 32.510 1.00 0.00 H +ATOM 481 HG13 VAL A 28 -32.491 22.191 33.277 1.00 0.00 H +ATOM 482 HG21 VAL A 28 -32.756 20.123 31.203 1.00 0.00 H +ATOM 483 HG22 VAL A 28 -31.583 20.431 32.483 1.00 0.00 H +ATOM 484 HG23 VAL A 28 -31.037 20.208 30.820 1.00 0.00 H +ATOM 485 N GLU A 29 -32.548 24.648 29.146 1.00 0.00 N +ATOM 486 CA GLU A 29 -32.971 26.075 29.065 1.00 0.00 C +ATOM 487 C GLU A 29 -34.235 26.187 28.210 1.00 0.00 C +ATOM 488 O GLU A 29 -35.252 26.680 28.653 1.00 0.00 O +ATOM 489 CB GLU A 29 -31.850 26.902 28.430 1.00 0.00 C +ATOM 490 CG GLU A 29 -32.280 28.368 28.351 1.00 0.00 C +ATOM 491 CD GLU A 29 -31.225 29.169 27.586 1.00 0.00 C +ATOM 492 OE1 GLU A 29 -30.261 28.567 27.140 1.00 0.00 O +ATOM 493 OE2 GLU A 29 -31.398 30.370 27.458 1.00 0.00 O +ATOM 494 H GLU A 29 -31.754 24.344 28.658 1.00 0.00 H +ATOM 495 HA GLU A 29 -33.173 26.448 30.057 1.00 0.00 H +ATOM 496 HB2 GLU A 29 -30.957 26.821 29.032 1.00 0.00 H +ATOM 497 HB3 GLU A 29 -31.649 26.532 27.435 1.00 0.00 H +ATOM 498 HG2 GLU A 29 -33.228 28.438 27.837 1.00 0.00 H +ATOM 499 HG3 GLU A 29 -32.382 28.768 29.349 1.00 0.00 H +ATOM 500 N ALA A 30 -34.178 25.736 26.987 1.00 0.00 N +ATOM 501 CA ALA A 30 -35.377 25.818 26.106 1.00 0.00 C +ATOM 502 C ALA A 30 -36.537 25.059 26.753 1.00 0.00 C +ATOM 503 O ALA A 30 -37.691 25.388 26.561 1.00 0.00 O +ATOM 504 CB ALA A 30 -35.054 25.196 24.747 1.00 0.00 C +ATOM 505 H ALA A 30 -33.348 25.342 26.646 1.00 0.00 H +ATOM 506 HA ALA A 30 -35.655 26.853 25.972 1.00 0.00 H +ATOM 507 HB1 ALA A 30 -35.234 24.132 24.786 1.00 0.00 H +ATOM 508 HB2 ALA A 30 -34.017 25.377 24.505 1.00 0.00 H +ATOM 509 HB3 ALA A 30 -35.683 25.640 23.989 1.00 0.00 H +ATOM 510 N THR A 31 -36.241 24.043 27.517 1.00 0.00 N +ATOM 511 CA THR A 31 -37.328 23.263 28.174 1.00 0.00 C +ATOM 512 C THR A 31 -37.526 23.769 29.605 1.00 0.00 C +ATOM 513 O THR A 31 -38.400 23.317 30.318 1.00 0.00 O +ATOM 514 CB THR A 31 -36.947 21.781 28.206 1.00 0.00 C +ATOM 515 OG1 THR A 31 -35.757 21.615 28.963 1.00 0.00 O +ATOM 516 CG2 THR A 31 -36.721 21.279 26.779 1.00 0.00 C +ATOM 517 H THR A 31 -35.304 23.792 27.658 1.00 0.00 H +ATOM 518 HA THR A 31 -38.246 23.388 27.619 1.00 0.00 H +ATOM 519 HB THR A 31 -37.745 21.213 28.659 1.00 0.00 H +ATOM 520 HG1 THR A 31 -35.010 21.712 28.367 1.00 0.00 H +ATOM 521 HG21 THR A 31 -37.069 22.022 26.076 1.00 0.00 H +ATOM 522 HG22 THR A 31 -37.265 20.358 26.630 1.00 0.00 H +ATOM 523 HG23 THR A 31 -35.667 21.103 26.623 1.00 0.00 H +ATOM 524 N GLY A 32 -36.722 24.705 30.032 1.00 0.00 N +ATOM 525 CA GLY A 32 -36.866 25.238 31.415 1.00 0.00 C +ATOM 526 C GLY A 32 -36.926 24.076 32.407 1.00 0.00 C +ATOM 527 O GLY A 32 -37.551 24.164 33.445 1.00 0.00 O +ATOM 528 H GLY A 32 -36.024 25.058 29.442 1.00 0.00 H +ATOM 529 HA2 GLY A 32 -36.020 25.868 31.649 1.00 0.00 H +ATOM 530 HA3 GLY A 32 -37.776 25.817 31.485 1.00 0.00 H +ATOM 531 N ILE A 33 -36.281 22.984 32.095 1.00 0.00 N +ATOM 532 CA ILE A 33 -36.302 21.818 33.021 1.00 0.00 C +ATOM 533 C ILE A 33 -35.025 21.811 33.863 1.00 0.00 C +ATOM 534 O ILE A 33 -34.149 20.989 33.673 1.00 0.00 O +ATOM 535 CB ILE A 33 -36.382 20.524 32.210 1.00 0.00 C +ATOM 536 CG1 ILE A 33 -37.628 20.554 31.323 1.00 0.00 C +ATOM 537 CG2 ILE A 33 -36.463 19.331 33.163 1.00 0.00 C +ATOM 538 CD1 ILE A 33 -37.820 19.184 30.668 1.00 0.00 C +ATOM 539 H ILE A 33 -35.784 22.933 31.253 1.00 0.00 H +ATOM 540 HA ILE A 33 -37.161 21.889 33.672 1.00 0.00 H +ATOM 541 HB ILE A 33 -35.502 20.432 31.591 1.00 0.00 H +ATOM 542 HG12 ILE A 33 -38.493 20.789 31.926 1.00 0.00 H +ATOM 543 HG13 ILE A 33 -37.507 21.305 30.558 1.00 0.00 H +ATOM 544 HG21 ILE A 33 -37.393 18.805 33.001 1.00 0.00 H +ATOM 545 HG22 ILE A 33 -36.421 19.682 34.184 1.00 0.00 H +ATOM 546 HG23 ILE A 33 -35.636 18.663 32.976 1.00 0.00 H +ATOM 547 HD11 ILE A 33 -38.421 19.292 29.777 1.00 0.00 H +ATOM 548 HD12 ILE A 33 -38.318 18.521 31.360 1.00 0.00 H +ATOM 549 HD13 ILE A 33 -36.857 18.773 30.405 1.00 0.00 H +ATOM 550 N LYS A 34 -34.911 22.720 34.793 1.00 0.00 N +ATOM 551 CA LYS A 34 -33.691 22.764 35.646 1.00 0.00 C +ATOM 552 C LYS A 34 -33.906 21.901 36.889 1.00 0.00 C +ATOM 553 O LYS A 34 -33.233 22.056 37.889 1.00 0.00 O +ATOM 554 CB LYS A 34 -33.416 24.209 36.068 1.00 0.00 C +ATOM 555 CG LYS A 34 -33.145 25.058 34.826 1.00 0.00 C +ATOM 556 CD LYS A 34 -32.764 26.477 35.250 1.00 0.00 C +ATOM 557 CE LYS A 34 -32.743 27.388 34.021 1.00 0.00 C +ATOM 558 NZ LYS A 34 -34.086 28.006 33.838 1.00 0.00 N +ATOM 559 H LYS A 34 -35.630 23.372 34.930 1.00 0.00 H +ATOM 560 HA LYS A 34 -32.847 22.386 35.087 1.00 0.00 H +ATOM 561 HB2 LYS A 34 -34.276 24.600 36.592 1.00 0.00 H +ATOM 562 HB3 LYS A 34 -32.555 24.237 36.719 1.00 0.00 H +ATOM 563 HG2 LYS A 34 -32.335 24.621 34.261 1.00 0.00 H +ATOM 564 HG3 LYS A 34 -34.033 25.093 34.212 1.00 0.00 H +ATOM 565 HD2 LYS A 34 -33.488 26.848 35.960 1.00 0.00 H +ATOM 566 HD3 LYS A 34 -31.785 26.465 35.707 1.00 0.00 H +ATOM 567 HE2 LYS A 34 -32.005 28.164 34.161 1.00 0.00 H +ATOM 568 HE3 LYS A 34 -32.492 26.807 33.146 1.00 0.00 H +ATOM 569 HZ1 LYS A 34 -34.206 28.784 34.517 1.00 0.00 H +ATOM 570 HZ2 LYS A 34 -34.822 27.289 33.999 1.00 0.00 H +ATOM 571 HZ3 LYS A 34 -34.168 28.378 32.871 1.00 0.00 H +ATOM 572 N ASN A 35 -34.840 20.990 36.837 1.00 0.00 N +ATOM 573 CA ASN A 35 -35.098 20.117 38.015 1.00 0.00 C +ATOM 574 C ASN A 35 -34.673 18.684 37.692 1.00 0.00 C +ATOM 575 O ASN A 35 -34.401 17.894 38.573 1.00 0.00 O +ATOM 576 CB ASN A 35 -36.590 20.142 38.351 1.00 0.00 C +ATOM 577 CG ASN A 35 -36.994 21.556 38.775 1.00 0.00 C +ATOM 578 OD1 ASN A 35 -36.149 22.386 39.046 1.00 0.00 O +ATOM 579 ND2 ASN A 35 -38.260 21.866 38.841 1.00 0.00 N +ATOM 580 H ASN A 35 -35.371 20.881 36.020 1.00 0.00 H +ATOM 581 HA ASN A 35 -34.533 20.477 38.861 1.00 0.00 H +ATOM 582 HB2 ASN A 35 -37.159 19.850 37.481 1.00 0.00 H +ATOM 583 HB3 ASN A 35 -36.789 19.454 39.159 1.00 0.00 H +ATOM 584 HD21 ASN A 35 -38.941 21.196 38.621 1.00 0.00 H +ATOM 585 HD22 ASN A 35 -38.528 22.773 39.097 1.00 0.00 H +ATOM 586 N LEU A 36 -34.621 18.341 36.435 1.00 0.00 N +ATOM 587 CA LEU A 36 -34.221 16.957 36.058 1.00 0.00 C +ATOM 588 C LEU A 36 -32.699 16.880 35.911 1.00 0.00 C +ATOM 589 O LEU A 36 -32.093 15.859 36.165 1.00 0.00 O +ATOM 590 CB LEU A 36 -34.887 16.579 34.734 1.00 0.00 C +ATOM 591 CG LEU A 36 -36.381 16.350 34.969 1.00 0.00 C +ATOM 592 CD1 LEU A 36 -37.146 16.585 33.666 1.00 0.00 C +ATOM 593 CD2 LEU A 36 -36.610 14.914 35.443 1.00 0.00 C +ATOM 594 H LEU A 36 -34.850 18.992 35.740 1.00 0.00 H +ATOM 595 HA LEU A 36 -34.540 16.271 36.827 1.00 0.00 H +ATOM 596 HB2 LEU A 36 -34.752 17.378 34.021 1.00 0.00 H +ATOM 597 HB3 LEU A 36 -34.439 15.673 34.351 1.00 0.00 H +ATOM 598 HG LEU A 36 -36.736 17.037 35.723 1.00 0.00 H +ATOM 599 HD11 LEU A 36 -37.963 17.268 33.847 1.00 0.00 H +ATOM 600 HD12 LEU A 36 -37.537 15.646 33.305 1.00 0.00 H +ATOM 601 HD13 LEU A 36 -36.480 17.007 32.929 1.00 0.00 H +ATOM 602 HD21 LEU A 36 -35.717 14.549 35.930 1.00 0.00 H +ATOM 603 HD22 LEU A 36 -36.839 14.288 34.594 1.00 0.00 H +ATOM 604 HD23 LEU A 36 -37.435 14.891 36.140 1.00 0.00 H +ATOM 605 N VAL A 37 -32.076 17.952 35.505 1.00 0.00 N +ATOM 606 CA VAL A 37 -30.594 17.935 35.348 1.00 0.00 C +ATOM 607 C VAL A 37 -29.956 18.769 36.461 1.00 0.00 C +ATOM 608 O VAL A 37 -30.482 19.788 36.860 1.00 0.00 O +ATOM 609 CB VAL A 37 -30.219 18.526 33.987 1.00 0.00 C +ATOM 610 CG1 VAL A 37 -28.696 18.553 33.844 1.00 0.00 C +ATOM 611 CG2 VAL A 37 -30.819 17.664 32.874 1.00 0.00 C +ATOM 612 H VAL A 37 -32.579 18.768 35.307 1.00 0.00 H +ATOM 613 HA VAL A 37 -30.236 16.917 35.411 1.00 0.00 H +ATOM 614 HB VAL A 37 -30.605 19.531 33.912 1.00 0.00 H +ATOM 615 HG11 VAL A 37 -28.291 17.588 34.112 1.00 0.00 H +ATOM 616 HG12 VAL A 37 -28.286 19.309 34.496 1.00 0.00 H +ATOM 617 HG13 VAL A 37 -28.435 18.781 32.820 1.00 0.00 H +ATOM 618 HG21 VAL A 37 -30.230 16.766 32.756 1.00 0.00 H +ATOM 619 HG22 VAL A 37 -30.818 18.219 31.948 1.00 0.00 H +ATOM 620 HG23 VAL A 37 -31.833 17.397 33.133 1.00 0.00 H +ATOM 621 N GLY A 38 -28.831 18.345 36.968 1.00 0.00 N +ATOM 622 CA GLY A 38 -28.170 19.117 38.056 1.00 0.00 C +ATOM 623 C GLY A 38 -26.799 19.603 37.582 1.00 0.00 C +ATOM 624 O GLY A 38 -26.685 20.308 36.600 1.00 0.00 O +ATOM 625 H GLY A 38 -28.421 17.519 36.636 1.00 0.00 H +ATOM 626 HA2 GLY A 38 -28.783 19.967 38.317 1.00 0.00 H +ATOM 627 HA3 GLY A 38 -28.047 18.483 38.923 1.00 0.00 H +ATOM 628 N ARG A 39 -25.757 19.234 38.276 1.00 0.00 N +ATOM 629 CA ARG A 39 -24.395 19.678 37.870 1.00 0.00 C +ATOM 630 C ARG A 39 -23.756 18.627 36.960 1.00 0.00 C +ATOM 631 O ARG A 39 -23.899 17.439 37.171 1.00 0.00 O +ATOM 632 CB ARG A 39 -23.528 19.862 39.118 1.00 0.00 C +ATOM 633 CG ARG A 39 -24.135 20.953 40.003 1.00 0.00 C +ATOM 634 CD ARG A 39 -23.270 21.135 41.251 1.00 0.00 C +ATOM 635 NE ARG A 39 -24.073 21.789 42.321 1.00 0.00 N +ATOM 636 CZ ARG A 39 -23.941 21.407 43.562 1.00 0.00 C +ATOM 637 NH1 ARG A 39 -22.864 21.720 44.230 1.00 0.00 N +ATOM 638 NH2 ARG A 39 -24.885 20.712 44.135 1.00 0.00 N +ATOM 639 H ARG A 39 -25.872 18.668 39.068 1.00 0.00 H +ATOM 640 HA ARG A 39 -24.465 20.617 37.341 1.00 0.00 H +ATOM 641 HB2 ARG A 39 -23.487 18.933 39.668 1.00 0.00 H +ATOM 642 HB3 ARG A 39 -22.530 20.151 38.824 1.00 0.00 H +ATOM 643 HG2 ARG A 39 -24.175 21.881 39.454 1.00 0.00 H +ATOM 644 HG3 ARG A 39 -25.134 20.664 40.296 1.00 0.00 H +ATOM 645 HD2 ARG A 39 -22.927 20.171 41.596 1.00 0.00 H +ATOM 646 HD3 ARG A 39 -22.417 21.754 41.012 1.00 0.00 H +ATOM 647 HE ARG A 39 -24.702 22.505 42.094 1.00 0.00 H +ATOM 648 HH11 ARG A 39 -22.140 22.252 43.789 1.00 0.00 H +ATOM 649 HH12 ARG A 39 -22.762 21.427 45.181 1.00 0.00 H +ATOM 650 HH21 ARG A 39 -25.711 20.472 43.623 1.00 0.00 H +ATOM 651 HH22 ARG A 39 -24.783 20.420 45.086 1.00 0.00 H +ATOM 652 N ILE A 40 -23.049 19.057 35.950 1.00 0.00 N +ATOM 653 CA ILE A 40 -22.395 18.087 35.028 1.00 0.00 C +ATOM 654 C ILE A 40 -20.882 18.124 35.254 1.00 0.00 C +ATOM 655 O ILE A 40 -20.287 19.180 35.351 1.00 0.00 O +ATOM 656 CB ILE A 40 -22.701 18.471 33.578 1.00 0.00 C +ATOM 657 CG1 ILE A 40 -24.208 18.383 33.331 1.00 0.00 C +ATOM 658 CG2 ILE A 40 -21.974 17.512 32.633 1.00 0.00 C +ATOM 659 CD1 ILE A 40 -24.520 18.867 31.913 1.00 0.00 C +ATOM 660 H ILE A 40 -22.944 20.020 35.802 1.00 0.00 H +ATOM 661 HA ILE A 40 -22.765 17.092 35.225 1.00 0.00 H +ATOM 662 HB ILE A 40 -22.364 19.480 33.395 1.00 0.00 H +ATOM 663 HG12 ILE A 40 -24.532 17.359 33.442 1.00 0.00 H +ATOM 664 HG13 ILE A 40 -24.726 19.005 34.046 1.00 0.00 H +ATOM 665 HG21 ILE A 40 -21.364 16.832 33.209 1.00 0.00 H +ATOM 666 HG22 ILE A 40 -21.346 18.078 31.961 1.00 0.00 H +ATOM 667 HG23 ILE A 40 -22.699 16.951 32.062 1.00 0.00 H +ATOM 668 HD11 ILE A 40 -24.704 19.931 31.928 1.00 0.00 H +ATOM 669 HD12 ILE A 40 -25.396 18.355 31.542 1.00 0.00 H +ATOM 670 HD13 ILE A 40 -23.680 18.657 31.268 1.00 0.00 H +ATOM 671 N VAL A 41 -20.251 16.985 35.340 1.00 0.00 N +ATOM 672 CA VAL A 41 -18.778 16.970 35.561 1.00 0.00 C +ATOM 673 C VAL A 41 -18.100 16.217 34.416 1.00 0.00 C +ATOM 674 O VAL A 41 -18.719 15.437 33.719 1.00 0.00 O +ATOM 675 CB VAL A 41 -18.466 16.275 36.888 1.00 0.00 C +ATOM 676 CG1 VAL A 41 -16.978 15.919 36.943 1.00 0.00 C +ATOM 677 CG2 VAL A 41 -18.807 17.213 38.047 1.00 0.00 C +ATOM 678 H VAL A 41 -20.743 16.141 35.260 1.00 0.00 H +ATOM 679 HA VAL A 41 -18.410 17.985 35.591 1.00 0.00 H +ATOM 680 HB VAL A 41 -19.055 15.373 36.969 1.00 0.00 H +ATOM 681 HG11 VAL A 41 -16.754 15.189 36.178 1.00 0.00 H +ATOM 682 HG12 VAL A 41 -16.741 15.508 37.913 1.00 0.00 H +ATOM 683 HG13 VAL A 41 -16.389 16.809 36.776 1.00 0.00 H +ATOM 684 HG21 VAL A 41 -19.101 16.630 38.908 1.00 0.00 H +ATOM 685 HG22 VAL A 41 -19.619 17.862 37.758 1.00 0.00 H +ATOM 686 HG23 VAL A 41 -17.940 17.809 38.295 1.00 0.00 H +ATOM 687 N ILE A 42 -16.833 16.447 34.214 1.00 0.00 N +ATOM 688 CA ILE A 42 -16.116 15.748 33.113 1.00 0.00 C +ATOM 689 C ILE A 42 -14.716 15.353 33.586 1.00 0.00 C +ATOM 690 O ILE A 42 -13.964 16.170 34.079 1.00 0.00 O +ATOM 691 CB ILE A 42 -16.001 16.680 31.906 1.00 0.00 C +ATOM 692 CG1 ILE A 42 -17.278 17.513 31.778 1.00 0.00 C +ATOM 693 CG2 ILE A 42 -15.805 15.847 30.637 1.00 0.00 C +ATOM 694 CD1 ILE A 42 -17.252 18.291 30.461 1.00 0.00 C +ATOM 695 H ILE A 42 -16.353 17.082 34.786 1.00 0.00 H +ATOM 696 HA ILE A 42 -16.664 14.861 32.832 1.00 0.00 H +ATOM 697 HB ILE A 42 -15.155 17.337 32.039 1.00 0.00 H +ATOM 698 HG12 ILE A 42 -18.137 16.858 31.792 1.00 0.00 H +ATOM 699 HG13 ILE A 42 -17.340 18.206 32.604 1.00 0.00 H +ATOM 700 HG21 ILE A 42 -15.047 15.099 30.810 1.00 0.00 H +ATOM 701 HG22 ILE A 42 -15.496 16.492 29.827 1.00 0.00 H +ATOM 702 HG23 ILE A 42 -16.735 15.364 30.376 1.00 0.00 H +ATOM 703 HD11 ILE A 42 -17.170 19.347 30.669 1.00 0.00 H +ATOM 704 HD12 ILE A 42 -18.162 18.101 29.912 1.00 0.00 H +ATOM 705 HD13 ILE A 42 -16.404 17.972 29.872 1.00 0.00 H +ATOM 706 N PRO A 43 -14.364 14.069 33.427 1.00 0.00 N +ATOM 707 CA PRO A 43 -13.053 13.548 33.832 1.00 0.00 C +ATOM 708 C PRO A 43 -11.928 14.141 32.978 1.00 0.00 C +ATOM 709 O PRO A 43 -10.760 13.920 33.228 1.00 0.00 O +ATOM 710 CB PRO A 43 -13.176 12.043 33.591 1.00 0.00 C +ATOM 711 CG PRO A 43 -14.235 11.921 32.550 1.00 0.00 C +ATOM 712 CD PRO A 43 -15.215 13.023 32.835 1.00 0.00 C +ATOM 713 HA PRO A 43 -12.845 13.722 34.875 1.00 0.00 H +ATOM 714 HB2 PRO A 43 -12.232 11.652 33.247 1.00 0.00 H +ATOM 715 HB3 PRO A 43 -13.461 11.552 34.509 1.00 0.00 H +ATOM 716 HG2 PRO A 43 -13.800 12.040 31.569 1.00 0.00 H +ATOM 717 HG3 PRO A 43 -14.712 10.954 32.624 1.00 0.00 H +ATOM 718 HD2 PRO A 43 -15.683 13.361 31.922 1.00 0.00 H +ATOM 719 HD3 PRO A 43 -15.973 12.687 33.527 1.00 0.00 H +ATOM 720 N ILE A 44 -12.277 14.897 31.973 1.00 0.00 N +ATOM 721 CA ILE A 44 -11.236 15.512 31.102 1.00 0.00 C +ATOM 722 C ILE A 44 -10.549 16.652 31.859 1.00 0.00 C +ATOM 723 O ILE A 44 -9.340 16.767 31.861 1.00 0.00 O +ATOM 724 CB ILE A 44 -11.892 16.060 29.831 1.00 0.00 C +ATOM 725 CG1 ILE A 44 -12.562 17.404 30.136 1.00 0.00 C +ATOM 726 CG2 ILE A 44 -12.948 15.072 29.331 1.00 0.00 C +ATOM 727 CD1 ILE A 44 -13.252 17.929 28.876 1.00 0.00 C +ATOM 728 H ILE A 44 -13.225 15.064 31.792 1.00 0.00 H +ATOM 729 HA ILE A 44 -10.504 14.765 30.836 1.00 0.00 H +ATOM 730 HB ILE A 44 -11.140 16.199 29.069 1.00 0.00 H +ATOM 731 HG12 ILE A 44 -13.294 17.272 30.919 1.00 0.00 H +ATOM 732 HG13 ILE A 44 -11.814 18.114 30.458 1.00 0.00 H +ATOM 733 HG21 ILE A 44 -13.902 15.572 29.254 1.00 0.00 H +ATOM 734 HG22 ILE A 44 -13.029 14.249 30.026 1.00 0.00 H +ATOM 735 HG23 ILE A 44 -12.659 14.695 28.361 1.00 0.00 H +ATOM 736 HD11 ILE A 44 -12.986 17.306 28.034 1.00 0.00 H +ATOM 737 HD12 ILE A 44 -12.935 18.943 28.687 1.00 0.00 H +ATOM 738 HD13 ILE A 44 -14.323 17.906 29.016 1.00 0.00 H +ATOM 739 N ARG A 45 -11.313 17.494 32.498 1.00 0.00 N +ATOM 740 CA ARG A 45 -10.708 18.627 33.252 1.00 0.00 C +ATOM 741 C ARG A 45 -9.594 18.102 34.159 1.00 0.00 C +ATOM 742 O ARG A 45 -9.754 17.111 34.843 1.00 0.00 O +ATOM 743 CB ARG A 45 -11.782 19.302 34.105 1.00 0.00 C +ATOM 744 CG ARG A 45 -12.840 19.927 33.193 1.00 0.00 C +ATOM 745 CD ARG A 45 -13.784 20.796 34.027 1.00 0.00 C +ATOM 746 NE ARG A 45 -14.912 21.264 33.174 1.00 0.00 N +ATOM 747 CZ ARG A 45 -14.810 22.386 32.517 1.00 0.00 C +ATOM 748 NH1 ARG A 45 -14.551 23.496 33.154 1.00 0.00 N +ATOM 749 NH2 ARG A 45 -14.966 22.400 31.221 1.00 0.00 N +ATOM 750 H ARG A 45 -12.287 17.382 32.481 1.00 0.00 H +ATOM 751 HA ARG A 45 -10.297 19.345 32.556 1.00 0.00 H +ATOM 752 HB2 ARG A 45 -12.249 18.567 34.745 1.00 0.00 H +ATOM 753 HB3 ARG A 45 -11.330 20.073 34.711 1.00 0.00 H +ATOM 754 HG2 ARG A 45 -12.356 20.537 32.445 1.00 0.00 H +ATOM 755 HG3 ARG A 45 -13.406 19.144 32.708 1.00 0.00 H +ATOM 756 HD2 ARG A 45 -14.172 20.216 34.851 1.00 0.00 H +ATOM 757 HD3 ARG A 45 -13.243 21.649 34.410 1.00 0.00 H +ATOM 758 HE ARG A 45 -15.730 20.730 33.107 1.00 0.00 H +ATOM 759 HH11 ARG A 45 -14.432 23.485 34.147 1.00 0.00 H +ATOM 760 HH12 ARG A 45 -14.473 24.355 32.650 1.00 0.00 H +ATOM 761 HH21 ARG A 45 -15.164 21.550 30.732 1.00 0.00 H +ATOM 762 HH22 ARG A 45 -14.888 23.260 30.717 1.00 0.00 H +ATOM 763 N GLY A 46 -8.467 18.759 34.171 1.00 0.00 N +ATOM 764 CA GLY A 46 -7.345 18.298 35.036 1.00 0.00 C +ATOM 765 C GLY A 46 -6.692 19.508 35.709 1.00 0.00 C +ATOM 766 O GLY A 46 -7.148 20.626 35.575 1.00 0.00 O +ATOM 767 H GLY A 46 -8.358 19.556 33.612 1.00 0.00 H +ATOM 768 HA2 GLY A 46 -7.724 17.626 35.791 1.00 0.00 H +ATOM 769 HA3 GLY A 46 -6.612 17.783 34.431 1.00 0.00 H +ATOM 770 N GLY A 47 -5.628 19.293 36.434 1.00 0.00 N +ATOM 771 CA GLY A 47 -4.950 20.432 37.114 1.00 0.00 C +ATOM 772 C GLY A 47 -4.406 21.401 36.061 1.00 0.00 C +ATOM 773 O GLY A 47 -4.058 21.010 34.965 1.00 0.00 O +ATOM 774 H GLY A 47 -5.275 18.384 36.530 1.00 0.00 H +ATOM 775 HA2 GLY A 47 -5.658 20.947 37.746 1.00 0.00 H +ATOM 776 HA3 GLY A 47 -4.134 20.058 37.715 1.00 0.00 H +ATOM 777 N GLN A 48 -4.332 22.663 36.385 1.00 0.00 N +ATOM 778 CA GLN A 48 -3.811 23.654 35.401 1.00 0.00 C +ATOM 779 C GLN A 48 -2.366 23.303 35.043 1.00 0.00 C +ATOM 780 O GLN A 48 -1.916 23.535 33.938 1.00 0.00 O +ATOM 781 CB GLN A 48 -3.859 25.055 36.013 1.00 0.00 C +ATOM 782 CG GLN A 48 -3.477 26.088 34.949 1.00 0.00 C +ATOM 783 CD GLN A 48 -3.501 27.488 35.566 1.00 0.00 C +ATOM 784 OE1 GLN A 48 -3.913 27.660 36.696 1.00 0.00 O +ATOM 785 NE2 GLN A 48 -3.073 28.503 34.866 1.00 0.00 N +ATOM 786 H GLN A 48 -4.619 22.959 37.274 1.00 0.00 H +ATOM 787 HA GLN A 48 -4.420 23.629 34.509 1.00 0.00 H +ATOM 788 HB2 GLN A 48 -4.858 25.258 36.369 1.00 0.00 H +ATOM 789 HB3 GLN A 48 -3.164 25.113 36.837 1.00 0.00 H +ATOM 790 HG2 GLN A 48 -2.485 25.874 34.580 1.00 0.00 H +ATOM 791 HG3 GLN A 48 -4.182 26.042 34.133 1.00 0.00 H +ATOM 792 HE21 GLN A 48 -2.741 28.363 33.955 1.00 0.00 H +ATOM 793 HE22 GLN A 48 -3.075 29.402 35.255 1.00 0.00 H +ATOM 794 N ARG A 49 -1.635 22.744 35.968 1.00 0.00 N +ATOM 795 CA ARG A 49 -0.219 22.378 35.679 1.00 0.00 C +ATOM 796 C ARG A 49 -0.179 21.352 34.545 1.00 0.00 C +ATOM 797 O ARG A 49 0.685 21.388 33.692 1.00 0.00 O +ATOM 798 CB ARG A 49 0.418 21.776 36.934 1.00 0.00 C +ATOM 799 CG ARG A 49 0.524 22.851 38.019 1.00 0.00 C +ATOM 800 CD ARG A 49 1.228 22.269 39.246 1.00 0.00 C +ATOM 801 NE ARG A 49 2.666 22.040 38.931 1.00 0.00 N +ATOM 802 CZ ARG A 49 3.543 21.982 39.895 1.00 0.00 C +ATOM 803 NH1 ARG A 49 3.793 23.040 40.615 1.00 0.00 N +ATOM 804 NH2 ARG A 49 4.172 20.864 40.138 1.00 0.00 N +ATOM 805 H ARG A 49 -2.016 22.565 36.852 1.00 0.00 H +ATOM 806 HA ARG A 49 0.328 23.261 35.385 1.00 0.00 H +ATOM 807 HB2 ARG A 49 -0.193 20.962 37.292 1.00 0.00 H +ATOM 808 HB3 ARG A 49 1.405 21.408 36.695 1.00 0.00 H +ATOM 809 HG2 ARG A 49 1.090 23.688 37.642 1.00 0.00 H +ATOM 810 HG3 ARG A 49 -0.467 23.181 38.295 1.00 0.00 H +ATOM 811 HD2 ARG A 49 1.146 22.961 40.070 1.00 0.00 H +ATOM 812 HD3 ARG A 49 0.765 21.331 39.516 1.00 0.00 H +ATOM 813 HE ARG A 49 2.953 21.934 38.000 1.00 0.00 H +ATOM 814 HH11 ARG A 49 3.312 23.897 40.428 1.00 0.00 H +ATOM 815 HH12 ARG A 49 4.466 22.995 41.354 1.00 0.00 H +ATOM 816 HH21 ARG A 49 3.981 20.053 39.586 1.00 0.00 H +ATOM 817 HH22 ARG A 49 4.844 20.819 40.877 1.00 0.00 H +ATOM 818 N ARG A 50 -1.109 20.436 34.528 1.00 0.00 N +ATOM 819 CA ARG A 50 -1.124 19.409 33.449 1.00 0.00 C +ATOM 820 C ARG A 50 -2.571 19.020 33.136 1.00 0.00 C +ATOM 821 O ARG A 50 -3.386 18.858 34.022 1.00 0.00 O +ATOM 822 CB ARG A 50 -0.353 18.172 33.912 1.00 0.00 C +ATOM 823 CG ARG A 50 1.126 18.526 34.076 1.00 0.00 C +ATOM 824 CD ARG A 50 1.917 17.264 34.425 1.00 0.00 C +ATOM 825 NE ARG A 50 3.322 17.633 34.756 1.00 0.00 N +ATOM 826 CZ ARG A 50 3.640 17.957 35.980 1.00 0.00 C +ATOM 827 NH1 ARG A 50 3.491 17.090 36.945 1.00 0.00 N +ATOM 828 NH2 ARG A 50 4.108 19.148 36.240 1.00 0.00 N +ATOM 829 H ARG A 50 -1.798 20.426 35.225 1.00 0.00 H +ATOM 830 HA ARG A 50 -0.659 19.813 32.562 1.00 0.00 H +ATOM 831 HB2 ARG A 50 -0.749 17.833 34.858 1.00 0.00 H +ATOM 832 HB3 ARG A 50 -0.456 17.388 33.177 1.00 0.00 H +ATOM 833 HG2 ARG A 50 1.502 18.943 33.152 1.00 0.00 H +ATOM 834 HG3 ARG A 50 1.238 19.251 34.868 1.00 0.00 H +ATOM 835 HD2 ARG A 50 1.462 16.778 35.276 1.00 0.00 H +ATOM 836 HD3 ARG A 50 1.912 16.591 33.581 1.00 0.00 H +ATOM 837 HE ARG A 50 4.007 17.632 34.056 1.00 0.00 H +ATOM 838 HH11 ARG A 50 3.134 16.178 36.746 1.00 0.00 H +ATOM 839 HH12 ARG A 50 3.735 17.338 37.881 1.00 0.00 H +ATOM 840 HH21 ARG A 50 4.222 19.811 35.501 1.00 0.00 H +ATOM 841 HH22 ARG A 50 4.351 19.396 37.177 1.00 0.00 H +ATOM 842 N LYS A 51 -2.895 18.869 31.881 1.00 0.00 N +ATOM 843 CA LYS A 51 -4.287 18.489 31.511 1.00 0.00 C +ATOM 844 C LYS A 51 -4.329 17.006 31.138 1.00 0.00 C +ATOM 845 O LYS A 51 -3.607 16.553 30.272 1.00 0.00 O +ATOM 846 CB LYS A 51 -4.745 19.329 30.317 1.00 0.00 C +ATOM 847 CG LYS A 51 -6.247 19.597 30.426 1.00 0.00 C +ATOM 848 CD LYS A 51 -6.734 20.300 29.158 1.00 0.00 C +ATOM 849 CE LYS A 51 -8.259 20.204 29.074 1.00 0.00 C +ATOM 850 NZ LYS A 51 -8.870 21.204 29.995 1.00 0.00 N +ATOM 851 H LYS A 51 -2.222 19.005 31.182 1.00 0.00 H +ATOM 852 HA LYS A 51 -4.944 18.669 32.350 1.00 0.00 H +ATOM 853 HB2 LYS A 51 -4.212 20.269 30.312 1.00 0.00 H +ATOM 854 HB3 LYS A 51 -4.540 18.795 29.401 1.00 0.00 H +ATOM 855 HG2 LYS A 51 -6.772 18.660 30.541 1.00 0.00 H +ATOM 856 HG3 LYS A 51 -6.439 20.225 31.283 1.00 0.00 H +ATOM 857 HD2 LYS A 51 -6.439 21.339 29.187 1.00 0.00 H +ATOM 858 HD3 LYS A 51 -6.295 19.827 28.292 1.00 0.00 H +ATOM 859 HE2 LYS A 51 -8.577 20.404 28.062 1.00 0.00 H +ATOM 860 HE3 LYS A 51 -8.573 19.212 29.361 1.00 0.00 H +ATOM 861 HZ1 LYS A 51 -9.334 21.950 29.438 1.00 0.00 H +ATOM 862 HZ2 LYS A 51 -8.129 21.626 30.591 1.00 0.00 H +ATOM 863 HZ3 LYS A 51 -9.576 20.735 30.597 1.00 0.00 H +ATOM 864 N SER A 52 -5.170 16.246 31.785 1.00 0.00 N +ATOM 865 CA SER A 52 -5.256 14.794 31.467 1.00 0.00 C +ATOM 866 C SER A 52 -5.719 14.615 30.019 1.00 0.00 C +ATOM 867 O SER A 52 -5.560 13.564 29.431 1.00 0.00 O +ATOM 868 CB SER A 52 -6.260 14.124 32.408 1.00 0.00 C +ATOM 869 OG SER A 52 -7.566 14.604 32.127 1.00 0.00 O +ATOM 870 H SER A 52 -5.744 16.631 32.480 1.00 0.00 H +ATOM 871 HA SER A 52 -4.286 14.338 31.593 1.00 0.00 H +ATOM 872 HB2 SER A 52 -6.230 13.054 32.263 1.00 0.00 H +ATOM 873 HB3 SER A 52 -6.003 14.356 33.431 1.00 0.00 H +ATOM 874 HG SER A 52 -7.493 15.522 31.858 1.00 0.00 H +ATOM 875 N GLU A 53 -6.290 15.635 29.439 1.00 0.00 N +ATOM 876 CA GLU A 53 -6.762 15.524 28.031 1.00 0.00 C +ATOM 877 C GLU A 53 -7.883 14.485 27.949 1.00 0.00 C +ATOM 878 O GLU A 53 -7.832 13.565 27.158 1.00 0.00 O +ATOM 879 CB GLU A 53 -5.599 15.090 27.137 1.00 0.00 C +ATOM 880 CG GLU A 53 -5.994 15.261 25.668 1.00 0.00 C +ATOM 881 CD GLU A 53 -4.810 14.881 24.775 1.00 0.00 C +ATOM 882 OE1 GLU A 53 -3.762 14.569 25.314 1.00 0.00 O +ATOM 883 OE2 GLU A 53 -4.973 14.910 23.566 1.00 0.00 O +ATOM 884 H GLU A 53 -6.409 16.475 29.931 1.00 0.00 H +ATOM 885 HA GLU A 53 -7.133 16.482 27.698 1.00 0.00 H +ATOM 886 HB2 GLU A 53 -4.734 15.700 27.349 1.00 0.00 H +ATOM 887 HB3 GLU A 53 -5.365 14.053 27.328 1.00 0.00 H +ATOM 888 HG2 GLU A 53 -6.833 14.619 25.444 1.00 0.00 H +ATOM 889 HG3 GLU A 53 -6.267 16.289 25.485 1.00 0.00 H +ATOM 890 N LYS A 54 -8.895 14.626 28.761 1.00 0.00 N +ATOM 891 CA LYS A 54 -10.015 13.645 28.728 1.00 0.00 C +ATOM 892 C LYS A 54 -9.578 12.348 29.411 1.00 0.00 C +ATOM 893 O LYS A 54 -9.082 11.440 28.774 1.00 0.00 O +ATOM 894 CB LYS A 54 -10.393 13.353 27.275 1.00 0.00 C +ATOM 895 CG LYS A 54 -10.335 14.649 26.462 1.00 0.00 C +ATOM 896 CD LYS A 54 -11.536 14.713 25.516 1.00 0.00 C +ATOM 897 CE LYS A 54 -11.712 16.146 25.012 1.00 0.00 C +ATOM 898 NZ LYS A 54 -10.897 16.342 23.780 1.00 0.00 N +ATOM 899 H LYS A 54 -8.916 15.375 29.393 1.00 0.00 H +ATOM 900 HA LYS A 54 -10.869 14.054 29.246 1.00 0.00 H +ATOM 901 HB2 LYS A 54 -9.700 12.636 26.860 1.00 0.00 H +ATOM 902 HB3 LYS A 54 -11.394 12.949 27.237 1.00 0.00 H +ATOM 903 HG2 LYS A 54 -10.359 15.495 27.132 1.00 0.00 H +ATOM 904 HG3 LYS A 54 -9.421 14.670 25.886 1.00 0.00 H +ATOM 905 HD2 LYS A 54 -11.368 14.053 24.677 1.00 0.00 H +ATOM 906 HD3 LYS A 54 -12.426 14.404 26.044 1.00 0.00 H +ATOM 907 HE2 LYS A 54 -12.753 16.324 24.787 1.00 0.00 H +ATOM 908 HE3 LYS A 54 -11.384 16.839 25.774 1.00 0.00 H +ATOM 909 HZ1 LYS A 54 -11.275 15.749 23.014 1.00 0.00 H +ATOM 910 HZ2 LYS A 54 -9.909 16.074 23.971 1.00 0.00 H +ATOM 911 HZ3 LYS A 54 -10.936 17.341 23.493 1.00 0.00 H +ATOM 912 N LEU A 55 -9.756 12.250 30.701 1.00 0.00 N +ATOM 913 CA LEU A 55 -9.348 11.008 31.414 1.00 0.00 C +ATOM 914 C LEU A 55 -10.061 9.809 30.786 1.00 0.00 C +ATOM 915 O LEU A 55 -9.460 8.789 30.517 1.00 0.00 O +ATOM 916 CB LEU A 55 -9.729 11.119 32.893 1.00 0.00 C +ATOM 917 CG LEU A 55 -8.808 10.224 33.725 1.00 0.00 C +ATOM 918 CD1 LEU A 55 -8.990 8.767 33.299 1.00 0.00 C +ATOM 919 CD2 LEU A 55 -7.353 10.641 33.502 1.00 0.00 C +ATOM 920 H LEU A 55 -10.158 12.990 31.203 1.00 0.00 H +ATOM 921 HA LEU A 55 -8.279 10.877 31.325 1.00 0.00 H +ATOM 922 HB2 LEU A 55 -9.623 12.144 33.215 1.00 0.00 H +ATOM 923 HB3 LEU A 55 -10.752 10.804 33.026 1.00 0.00 H +ATOM 924 HG LEU A 55 -9.056 10.327 34.771 1.00 0.00 H +ATOM 925 HD11 LEU A 55 -8.199 8.487 32.620 1.00 0.00 H +ATOM 926 HD12 LEU A 55 -9.945 8.653 32.806 1.00 0.00 H +ATOM 927 HD13 LEU A 55 -8.959 8.130 34.171 1.00 0.00 H +ATOM 928 HD21 LEU A 55 -6.890 10.855 34.454 1.00 0.00 H +ATOM 929 HD22 LEU A 55 -7.323 11.524 32.880 1.00 0.00 H +ATOM 930 HD23 LEU A 55 -6.819 9.839 33.016 1.00 0.00 H +ATOM 931 N PHE A 56 -11.339 9.925 30.544 1.00 0.00 N +ATOM 932 CA PHE A 56 -12.089 8.796 29.926 1.00 0.00 C +ATOM 933 C PHE A 56 -12.799 9.297 28.667 1.00 0.00 C +ATOM 934 O PHE A 56 -13.720 10.089 28.736 1.00 0.00 O +ATOM 935 CB PHE A 56 -13.124 8.264 30.918 1.00 0.00 C +ATOM 936 CG PHE A 56 -12.428 7.818 32.181 1.00 0.00 C +ATOM 937 CD1 PHE A 56 -11.938 6.511 32.286 1.00 0.00 C +ATOM 938 CD2 PHE A 56 -12.271 8.711 33.248 1.00 0.00 C +ATOM 939 CE1 PHE A 56 -11.293 6.096 33.458 1.00 0.00 C +ATOM 940 CE2 PHE A 56 -11.626 8.297 34.419 1.00 0.00 C +ATOM 941 CZ PHE A 56 -11.138 6.990 34.524 1.00 0.00 C +ATOM 942 H PHE A 56 -11.811 10.757 30.761 1.00 0.00 H +ATOM 943 HA PHE A 56 -11.401 8.006 29.663 1.00 0.00 H +ATOM 944 HB2 PHE A 56 -13.830 9.046 31.152 1.00 0.00 H +ATOM 945 HB3 PHE A 56 -13.646 7.427 30.479 1.00 0.00 H +ATOM 946 HD1 PHE A 56 -12.059 5.821 31.464 1.00 0.00 H +ATOM 947 HD2 PHE A 56 -12.649 9.720 33.167 1.00 0.00 H +ATOM 948 HE1 PHE A 56 -10.916 5.088 33.539 1.00 0.00 H +ATOM 949 HE2 PHE A 56 -11.506 8.986 35.242 1.00 0.00 H +ATOM 950 HZ PHE A 56 -10.640 6.670 35.427 1.00 0.00 H +ATOM 951 N PRO A 57 -12.357 8.828 27.493 1.00 0.00 N +ATOM 952 CA PRO A 57 -12.941 9.234 26.210 1.00 0.00 C +ATOM 953 C PRO A 57 -14.383 8.748 26.058 1.00 0.00 C +ATOM 954 O PRO A 57 -14.696 7.604 26.323 1.00 0.00 O +ATOM 955 CB PRO A 57 -12.038 8.558 25.177 1.00 0.00 C +ATOM 956 CG PRO A 57 -11.442 7.402 25.903 1.00 0.00 C +ATOM 957 CD PRO A 57 -11.261 7.860 27.320 1.00 0.00 C +ATOM 958 HA PRO A 57 -12.901 10.301 26.064 1.00 0.00 H +ATOM 959 HB2 PRO A 57 -12.631 8.233 24.338 1.00 0.00 H +ATOM 960 HB3 PRO A 57 -11.283 9.253 24.843 1.00 0.00 H +ATOM 961 HG2 PRO A 57 -12.112 6.556 25.855 1.00 0.00 H +ATOM 962 HG3 PRO A 57 -10.492 7.141 25.459 1.00 0.00 H +ATOM 963 HD2 PRO A 57 -11.358 7.028 27.999 1.00 0.00 H +ATOM 964 HD3 PRO A 57 -10.295 8.324 27.450 1.00 0.00 H +ATOM 965 N GLY A 58 -15.260 9.611 25.624 1.00 0.00 N +ATOM 966 CA GLY A 58 -16.681 9.208 25.442 1.00 0.00 C +ATOM 967 C GLY A 58 -17.383 9.084 26.799 1.00 0.00 C +ATOM 968 O GLY A 58 -18.591 8.965 26.866 1.00 0.00 O +ATOM 969 H GLY A 58 -14.982 10.524 25.405 1.00 0.00 H +ATOM 970 HA2 GLY A 58 -17.189 9.950 24.844 1.00 0.00 H +ATOM 971 HA3 GLY A 58 -16.718 8.255 24.934 1.00 0.00 H +ATOM 972 N TYR A 59 -16.653 9.095 27.884 1.00 0.00 N +ATOM 973 CA TYR A 59 -17.311 8.959 29.214 1.00 0.00 C +ATOM 974 C TYR A 59 -17.462 10.333 29.874 1.00 0.00 C +ATOM 975 O TYR A 59 -16.528 11.105 29.951 1.00 0.00 O +ATOM 976 CB TYR A 59 -16.459 8.058 30.112 1.00 0.00 C +ATOM 977 CG TYR A 59 -16.894 6.622 29.945 1.00 0.00 C +ATOM 978 CD1 TYR A 59 -17.532 6.215 28.766 1.00 0.00 C +ATOM 979 CD2 TYR A 59 -16.658 5.696 30.968 1.00 0.00 C +ATOM 980 CE1 TYR A 59 -17.935 4.883 28.611 1.00 0.00 C +ATOM 981 CE2 TYR A 59 -17.060 4.364 30.813 1.00 0.00 C +ATOM 982 CZ TYR A 59 -17.699 3.958 29.634 1.00 0.00 C +ATOM 983 OH TYR A 59 -18.095 2.645 29.482 1.00 0.00 O +ATOM 984 H TYR A 59 -15.677 9.176 27.832 1.00 0.00 H +ATOM 985 HA TYR A 59 -18.287 8.515 29.088 1.00 0.00 H +ATOM 986 HB2 TYR A 59 -15.420 8.154 29.835 1.00 0.00 H +ATOM 987 HB3 TYR A 59 -16.586 8.355 31.142 1.00 0.00 H +ATOM 988 HD1 TYR A 59 -17.714 6.929 27.977 1.00 0.00 H +ATOM 989 HD2 TYR A 59 -16.166 6.010 31.877 1.00 0.00 H +ATOM 990 HE1 TYR A 59 -18.427 4.570 27.702 1.00 0.00 H +ATOM 991 HE2 TYR A 59 -16.879 3.650 31.602 1.00 0.00 H +ATOM 992 HH TYR A 59 -17.879 2.372 28.587 1.00 0.00 H +ATOM 993 N VAL A 60 -18.636 10.633 30.361 1.00 0.00 N +ATOM 994 CA VAL A 60 -18.863 11.945 31.031 1.00 0.00 C +ATOM 995 C VAL A 60 -19.631 11.706 32.333 1.00 0.00 C +ATOM 996 O VAL A 60 -20.415 10.784 32.435 1.00 0.00 O +ATOM 997 CB VAL A 60 -19.682 12.854 30.112 1.00 0.00 C +ATOM 998 CG1 VAL A 60 -19.824 14.236 30.755 1.00 0.00 C +ATOM 999 CG2 VAL A 60 -18.972 12.990 28.764 1.00 0.00 C +ATOM 1000 H VAL A 60 -19.371 9.987 30.292 1.00 0.00 H +ATOM 1001 HA VAL A 60 -17.913 12.410 31.250 1.00 0.00 H +ATOM 1002 HB VAL A 60 -20.662 12.425 29.961 1.00 0.00 H +ATOM 1003 HG11 VAL A 60 -19.776 14.996 29.989 1.00 0.00 H +ATOM 1004 HG12 VAL A 60 -19.022 14.387 31.463 1.00 0.00 H +ATOM 1005 HG13 VAL A 60 -20.773 14.299 31.266 1.00 0.00 H +ATOM 1006 HG21 VAL A 60 -19.082 12.072 28.205 1.00 0.00 H +ATOM 1007 HG22 VAL A 60 -17.923 13.187 28.928 1.00 0.00 H +ATOM 1008 HG23 VAL A 60 -19.409 13.805 28.207 1.00 0.00 H +ATOM 1009 N PHE A 61 -19.415 12.516 33.334 1.00 0.00 N +ATOM 1010 CA PHE A 61 -20.138 12.310 34.620 1.00 0.00 C +ATOM 1011 C PHE A 61 -21.185 13.408 34.805 1.00 0.00 C +ATOM 1012 O PHE A 61 -20.882 14.584 34.771 1.00 0.00 O +ATOM 1013 CB PHE A 61 -19.140 12.355 35.779 1.00 0.00 C +ATOM 1014 CG PHE A 61 -18.031 11.363 35.527 1.00 0.00 C +ATOM 1015 CD1 PHE A 61 -18.325 10.106 34.986 1.00 0.00 C +ATOM 1016 CD2 PHE A 61 -16.707 11.698 35.834 1.00 0.00 C +ATOM 1017 CE1 PHE A 61 -17.297 9.184 34.752 1.00 0.00 C +ATOM 1018 CE2 PHE A 61 -15.678 10.778 35.601 1.00 0.00 C +ATOM 1019 CZ PHE A 61 -15.973 9.521 35.060 1.00 0.00 C +ATOM 1020 H PHE A 61 -18.777 13.256 33.248 1.00 0.00 H +ATOM 1021 HA PHE A 61 -20.626 11.346 34.605 1.00 0.00 H +ATOM 1022 HB2 PHE A 61 -18.723 13.349 35.856 1.00 0.00 H +ATOM 1023 HB3 PHE A 61 -19.646 12.104 36.699 1.00 0.00 H +ATOM 1024 HD1 PHE A 61 -19.346 9.846 34.748 1.00 0.00 H +ATOM 1025 HD2 PHE A 61 -16.479 12.668 36.252 1.00 0.00 H +ATOM 1026 HE1 PHE A 61 -17.524 8.214 34.336 1.00 0.00 H +ATOM 1027 HE2 PHE A 61 -14.657 11.038 35.839 1.00 0.00 H +ATOM 1028 HZ PHE A 61 -15.179 8.811 34.880 1.00 0.00 H +ATOM 1029 N VAL A 62 -22.419 13.030 35.000 1.00 0.00 N +ATOM 1030 CA VAL A 62 -23.488 14.050 35.186 1.00 0.00 C +ATOM 1031 C VAL A 62 -24.374 13.662 36.371 1.00 0.00 C +ATOM 1032 O VAL A 62 -24.625 12.499 36.619 1.00 0.00 O +ATOM 1033 CB VAL A 62 -24.343 14.128 33.919 1.00 0.00 C +ATOM 1034 CG1 VAL A 62 -25.071 12.798 33.712 1.00 0.00 C +ATOM 1035 CG2 VAL A 62 -25.369 15.253 34.064 1.00 0.00 C +ATOM 1036 H VAL A 62 -22.637 12.075 35.019 1.00 0.00 H +ATOM 1037 HA VAL A 62 -23.038 15.013 35.374 1.00 0.00 H +ATOM 1038 HB VAL A 62 -23.708 14.326 33.068 1.00 0.00 H +ATOM 1039 HG11 VAL A 62 -25.684 12.858 32.825 1.00 0.00 H +ATOM 1040 HG12 VAL A 62 -25.696 12.593 34.568 1.00 0.00 H +ATOM 1041 HG13 VAL A 62 -24.347 12.005 33.596 1.00 0.00 H +ATOM 1042 HG21 VAL A 62 -25.000 15.989 34.763 1.00 0.00 H +ATOM 1043 HG22 VAL A 62 -26.301 14.845 34.428 1.00 0.00 H +ATOM 1044 HG23 VAL A 62 -25.531 15.719 33.103 1.00 0.00 H +ATOM 1045 N GLU A 63 -24.859 14.631 37.099 1.00 0.00 N +ATOM 1046 CA GLU A 63 -25.739 14.327 38.261 1.00 0.00 C +ATOM 1047 C GLU A 63 -27.169 14.740 37.912 1.00 0.00 C +ATOM 1048 O GLU A 63 -27.411 15.852 37.489 1.00 0.00 O +ATOM 1049 CB GLU A 63 -25.264 15.114 39.484 1.00 0.00 C +ATOM 1050 CG GLU A 63 -25.827 14.474 40.754 1.00 0.00 C +ATOM 1051 CD GLU A 63 -25.854 15.511 41.879 1.00 0.00 C +ATOM 1052 OE1 GLU A 63 -25.337 16.596 41.670 1.00 0.00 O +ATOM 1053 OE2 GLU A 63 -26.392 15.203 42.929 1.00 0.00 O +ATOM 1054 H GLU A 63 -24.651 15.561 36.873 1.00 0.00 H +ATOM 1055 HA GLU A 63 -25.706 13.271 38.472 1.00 0.00 H +ATOM 1056 HB2 GLU A 63 -24.185 15.100 39.522 1.00 0.00 H +ATOM 1057 HB3 GLU A 63 -25.609 16.133 39.411 1.00 0.00 H +ATOM 1058 HG2 GLU A 63 -26.830 14.121 40.565 1.00 0.00 H +ATOM 1059 HG3 GLU A 63 -25.202 13.643 41.046 1.00 0.00 H +ATOM 1060 N MET A 64 -28.119 13.856 38.061 1.00 0.00 N +ATOM 1061 CA MET A 64 -29.515 14.231 37.704 1.00 0.00 C +ATOM 1062 C MET A 64 -30.526 13.435 38.532 1.00 0.00 C +ATOM 1063 O MET A 64 -30.212 12.425 39.129 1.00 0.00 O +ATOM 1064 CB MET A 64 -29.745 13.945 36.219 1.00 0.00 C +ATOM 1065 CG MET A 64 -28.681 14.670 35.391 1.00 0.00 C +ATOM 1066 SD MET A 64 -29.040 14.457 33.630 1.00 0.00 S +ATOM 1067 CE MET A 64 -28.897 12.653 33.585 1.00 0.00 C +ATOM 1068 H MET A 64 -27.912 12.953 38.386 1.00 0.00 H +ATOM 1069 HA MET A 64 -29.659 15.286 37.885 1.00 0.00 H +ATOM 1070 HB2 MET A 64 -29.675 12.882 36.043 1.00 0.00 H +ATOM 1071 HB3 MET A 64 -30.725 14.295 35.931 1.00 0.00 H +ATOM 1072 HG2 MET A 64 -28.690 15.722 35.636 1.00 0.00 H +ATOM 1073 HG3 MET A 64 -27.709 14.255 35.613 1.00 0.00 H +ATOM 1074 HE1 MET A 64 -28.306 12.319 34.427 1.00 0.00 H +ATOM 1075 HE2 MET A 64 -28.415 12.352 32.669 1.00 0.00 H +ATOM 1076 HE3 MET A 64 -29.883 12.214 33.633 1.00 0.00 H +ATOM 1077 N ILE A 65 -31.744 13.897 38.552 1.00 0.00 N +ATOM 1078 CA ILE A 65 -32.808 13.190 39.319 1.00 0.00 C +ATOM 1079 C ILE A 65 -33.413 12.094 38.439 1.00 0.00 C +ATOM 1080 O ILE A 65 -33.820 12.338 37.320 1.00 0.00 O +ATOM 1081 CB ILE A 65 -33.897 14.185 39.731 1.00 0.00 C +ATOM 1082 CG1 ILE A 65 -34.852 14.418 38.559 1.00 0.00 C +ATOM 1083 CG2 ILE A 65 -33.248 15.511 40.131 1.00 0.00 C +ATOM 1084 CD1 ILE A 65 -35.846 15.523 38.922 1.00 0.00 C +ATOM 1085 H ILE A 65 -31.942 14.713 38.046 1.00 0.00 H +ATOM 1086 HA ILE A 65 -32.375 12.743 40.203 1.00 0.00 H +ATOM 1087 HB ILE A 65 -34.448 13.788 40.570 1.00 0.00 H +ATOM 1088 HG12 ILE A 65 -34.288 14.712 37.687 1.00 0.00 H +ATOM 1089 HG13 ILE A 65 -35.391 13.505 38.347 1.00 0.00 H +ATOM 1090 HG21 ILE A 65 -32.188 15.364 40.277 1.00 0.00 H +ATOM 1091 HG22 ILE A 65 -33.692 15.866 41.050 1.00 0.00 H +ATOM 1092 HG23 ILE A 65 -33.407 16.241 39.351 1.00 0.00 H +ATOM 1093 HD11 ILE A 65 -35.816 16.296 38.168 1.00 0.00 H +ATOM 1094 HD12 ILE A 65 -35.582 15.944 39.880 1.00 0.00 H +ATOM 1095 HD13 ILE A 65 -36.842 15.109 38.973 1.00 0.00 H +ATOM 1096 N MET A 66 -33.454 10.884 38.924 1.00 0.00 N +ATOM 1097 CA MET A 66 -34.005 9.774 38.097 1.00 0.00 C +ATOM 1098 C MET A 66 -35.531 9.870 38.050 1.00 0.00 C +ATOM 1099 O MET A 66 -36.180 10.201 39.023 1.00 0.00 O +ATOM 1100 CB MET A 66 -33.599 8.432 38.712 1.00 0.00 C +ATOM 1101 CG MET A 66 -34.052 7.295 37.794 1.00 0.00 C +ATOM 1102 SD MET A 66 -33.633 5.705 38.552 1.00 0.00 S +ATOM 1103 CE MET A 66 -31.847 5.973 38.666 1.00 0.00 C +ATOM 1104 H MET A 66 -33.087 10.703 39.814 1.00 0.00 H +ATOM 1105 HA MET A 66 -33.610 9.843 37.095 1.00 0.00 H +ATOM 1106 HB2 MET A 66 -32.526 8.398 38.824 1.00 0.00 H +ATOM 1107 HB3 MET A 66 -34.067 8.322 39.679 1.00 0.00 H +ATOM 1108 HG2 MET A 66 -35.121 7.353 37.649 1.00 0.00 H +ATOM 1109 HG3 MET A 66 -33.554 7.382 36.840 1.00 0.00 H +ATOM 1110 HE1 MET A 66 -31.364 5.051 38.959 1.00 0.00 H +ATOM 1111 HE2 MET A 66 -31.641 6.733 39.403 1.00 0.00 H +ATOM 1112 HE3 MET A 66 -31.470 6.294 37.705 1.00 0.00 H +ATOM 1113 N ASN A 67 -36.101 9.582 36.911 1.00 0.00 N +ATOM 1114 CA ASN A 67 -37.582 9.653 36.765 1.00 0.00 C +ATOM 1115 C ASN A 67 -37.955 9.353 35.311 1.00 0.00 C +ATOM 1116 O ASN A 67 -37.099 9.189 34.464 1.00 0.00 O +ATOM 1117 CB ASN A 67 -38.068 11.056 37.137 1.00 0.00 C +ATOM 1118 CG ASN A 67 -39.584 11.034 37.343 1.00 0.00 C +ATOM 1119 OD1 ASN A 67 -40.091 10.256 38.126 1.00 0.00 O +ATOM 1120 ND2 ASN A 67 -40.333 11.862 36.667 1.00 0.00 N +ATOM 1121 H ASN A 67 -35.546 9.318 36.148 1.00 0.00 H +ATOM 1122 HA ASN A 67 -38.045 8.925 37.415 1.00 0.00 H +ATOM 1123 HB2 ASN A 67 -37.586 11.375 38.048 1.00 0.00 H +ATOM 1124 HB3 ASN A 67 -37.823 11.743 36.341 1.00 0.00 H +ATOM 1125 HD21 ASN A 67 -39.923 12.489 36.035 1.00 0.00 H +ATOM 1126 HD22 ASN A 67 -41.309 11.802 36.732 1.00 0.00 H +ATOM 1127 N ASP A 68 -39.222 9.279 35.013 1.00 0.00 N +ATOM 1128 CA ASP A 68 -39.640 8.989 33.612 1.00 0.00 C +ATOM 1129 C ASP A 68 -39.373 10.213 32.733 1.00 0.00 C +ATOM 1130 O ASP A 68 -38.928 10.097 31.609 1.00 0.00 O +ATOM 1131 CB ASP A 68 -41.133 8.656 33.584 1.00 0.00 C +ATOM 1132 CG ASP A 68 -41.374 7.332 34.311 1.00 0.00 C +ATOM 1133 OD1 ASP A 68 -40.401 6.664 34.620 1.00 0.00 O +ATOM 1134 OD2 ASP A 68 -42.526 7.008 34.547 1.00 0.00 O +ATOM 1135 H ASP A 68 -39.899 9.413 35.709 1.00 0.00 H +ATOM 1136 HA ASP A 68 -39.078 8.147 33.236 1.00 0.00 H +ATOM 1137 HB2 ASP A 68 -41.687 9.442 34.076 1.00 0.00 H +ATOM 1138 HB3 ASP A 68 -41.465 8.570 32.559 1.00 0.00 H +ATOM 1139 N GLU A 69 -39.647 11.387 33.235 1.00 0.00 N +ATOM 1140 CA GLU A 69 -39.412 12.617 32.424 1.00 0.00 C +ATOM 1141 C GLU A 69 -37.909 12.884 32.313 1.00 0.00 C +ATOM 1142 O GLU A 69 -37.434 13.408 31.326 1.00 0.00 O +ATOM 1143 CB GLU A 69 -40.091 13.809 33.103 1.00 0.00 C +ATOM 1144 CG GLU A 69 -41.598 13.560 33.187 1.00 0.00 C +ATOM 1145 CD GLU A 69 -42.273 14.745 33.880 1.00 0.00 C +ATOM 1146 OE1 GLU A 69 -41.562 15.561 34.442 1.00 0.00 O +ATOM 1147 OE2 GLU A 69 -43.490 14.816 33.836 1.00 0.00 O +ATOM 1148 H GLU A 69 -40.010 11.461 34.142 1.00 0.00 H +ATOM 1149 HA GLU A 69 -39.828 12.482 31.437 1.00 0.00 H +ATOM 1150 HB2 GLU A 69 -39.690 13.932 34.098 1.00 0.00 H +ATOM 1151 HB3 GLU A 69 -39.905 14.704 32.527 1.00 0.00 H +ATOM 1152 HG2 GLU A 69 -42.000 13.448 32.191 1.00 0.00 H +ATOM 1153 HG3 GLU A 69 -41.782 12.659 33.754 1.00 0.00 H +ATOM 1154 N ALA A 70 -37.157 12.533 33.320 1.00 0.00 N +ATOM 1155 CA ALA A 70 -35.687 12.773 33.272 1.00 0.00 C +ATOM 1156 C ALA A 70 -35.036 11.808 32.279 1.00 0.00 C +ATOM 1157 O ALA A 70 -34.235 12.199 31.453 1.00 0.00 O +ATOM 1158 CB ALA A 70 -35.089 12.550 34.663 1.00 0.00 C +ATOM 1159 H ALA A 70 -37.559 12.115 34.110 1.00 0.00 H +ATOM 1160 HA ALA A 70 -35.499 13.789 32.961 1.00 0.00 H +ATOM 1161 HB1 ALA A 70 -35.885 12.412 35.379 1.00 0.00 H +ATOM 1162 HB2 ALA A 70 -34.496 13.408 34.942 1.00 0.00 H +ATOM 1163 HB3 ALA A 70 -34.462 11.670 34.648 1.00 0.00 H +ATOM 1164 N TYR A 71 -35.368 10.548 32.354 1.00 0.00 N +ATOM 1165 CA TYR A 71 -34.761 9.562 31.416 1.00 0.00 C +ATOM 1166 C TYR A 71 -35.108 9.941 29.974 1.00 0.00 C +ATOM 1167 O TYR A 71 -34.253 9.989 29.113 1.00 0.00 O +ATOM 1168 CB TYR A 71 -35.306 8.165 31.721 1.00 0.00 C +ATOM 1169 CG TYR A 71 -34.680 7.166 30.777 1.00 0.00 C +ATOM 1170 CD1 TYR A 71 -33.475 6.539 31.117 1.00 0.00 C +ATOM 1171 CD2 TYR A 71 -35.306 6.866 29.561 1.00 0.00 C +ATOM 1172 CE1 TYR A 71 -32.895 5.613 30.241 1.00 0.00 C +ATOM 1173 CE2 TYR A 71 -34.726 5.940 28.685 1.00 0.00 C +ATOM 1174 CZ TYR A 71 -33.521 5.313 29.025 1.00 0.00 C +ATOM 1175 OH TYR A 71 -32.951 4.400 28.162 1.00 0.00 O +ATOM 1176 H TYR A 71 -36.013 10.252 33.030 1.00 0.00 H +ATOM 1177 HA TYR A 71 -33.688 9.564 31.538 1.00 0.00 H +ATOM 1178 HB2 TYR A 71 -35.064 7.899 32.740 1.00 0.00 H +ATOM 1179 HB3 TYR A 71 -36.378 8.159 31.593 1.00 0.00 H +ATOM 1180 HD1 TYR A 71 -32.992 6.771 32.055 1.00 0.00 H +ATOM 1181 HD2 TYR A 71 -36.235 7.348 29.299 1.00 0.00 H +ATOM 1182 HE1 TYR A 71 -31.966 5.130 30.504 1.00 0.00 H +ATOM 1183 HE2 TYR A 71 -35.209 5.708 27.747 1.00 0.00 H +ATOM 1184 HH TYR A 71 -33.659 3.940 27.705 1.00 0.00 H +ATOM 1185 N ASN A 72 -36.357 10.197 29.698 1.00 0.00 N +ATOM 1186 CA ASN A 72 -36.753 10.557 28.308 1.00 0.00 C +ATOM 1187 C ASN A 72 -36.081 11.868 27.886 1.00 0.00 C +ATOM 1188 O ASN A 72 -35.828 12.092 26.720 1.00 0.00 O +ATOM 1189 CB ASN A 72 -38.272 10.723 28.243 1.00 0.00 C +ATOM 1190 CG ASN A 72 -38.944 9.364 28.452 1.00 0.00 C +ATOM 1191 OD1 ASN A 72 -38.306 8.336 28.343 1.00 0.00 O +ATOM 1192 ND2 ASN A 72 -40.213 9.318 28.751 1.00 0.00 N +ATOM 1193 H ASN A 72 -37.041 10.141 30.398 1.00 0.00 H +ATOM 1194 HA ASN A 72 -36.454 9.770 27.635 1.00 0.00 H +ATOM 1195 HB2 ASN A 72 -38.591 11.405 29.016 1.00 0.00 H +ATOM 1196 HB3 ASN A 72 -38.550 11.117 27.277 1.00 0.00 H +ATOM 1197 HD21 ASN A 72 -40.727 10.147 28.839 1.00 0.00 H +ATOM 1198 HD22 ASN A 72 -40.647 8.453 28.908 1.00 0.00 H +ATOM 1199 N PHE A 73 -35.796 12.740 28.816 1.00 0.00 N +ATOM 1200 CA PHE A 73 -35.149 14.032 28.447 1.00 0.00 C +ATOM 1201 C PHE A 73 -33.644 13.824 28.260 1.00 0.00 C +ATOM 1202 O PHE A 73 -33.045 14.355 27.346 1.00 0.00 O +ATOM 1203 CB PHE A 73 -35.388 15.055 29.560 1.00 0.00 C +ATOM 1204 CG PHE A 73 -34.529 16.274 29.316 1.00 0.00 C +ATOM 1205 CD1 PHE A 73 -35.015 17.326 28.532 1.00 0.00 C +ATOM 1206 CD2 PHE A 73 -33.248 16.350 29.876 1.00 0.00 C +ATOM 1207 CE1 PHE A 73 -34.220 18.455 28.307 1.00 0.00 C +ATOM 1208 CE2 PHE A 73 -32.453 17.480 29.650 1.00 0.00 C +ATOM 1209 CZ PHE A 73 -32.939 18.533 28.866 1.00 0.00 C +ATOM 1210 H PHE A 73 -36.008 12.554 29.755 1.00 0.00 H +ATOM 1211 HA PHE A 73 -35.579 14.398 27.526 1.00 0.00 H +ATOM 1212 HB2 PHE A 73 -36.428 15.343 29.567 1.00 0.00 H +ATOM 1213 HB3 PHE A 73 -35.129 14.617 30.513 1.00 0.00 H +ATOM 1214 HD1 PHE A 73 -36.003 17.267 28.100 1.00 0.00 H +ATOM 1215 HD2 PHE A 73 -32.873 15.539 30.481 1.00 0.00 H +ATOM 1216 HE1 PHE A 73 -34.595 19.268 27.701 1.00 0.00 H +ATOM 1217 HE2 PHE A 73 -31.465 17.540 30.082 1.00 0.00 H +ATOM 1218 HZ PHE A 73 -32.326 19.405 28.692 1.00 0.00 H +ATOM 1219 N VAL A 74 -33.029 13.056 29.116 1.00 0.00 N +ATOM 1220 CA VAL A 74 -31.563 12.820 28.979 1.00 0.00 C +ATOM 1221 C VAL A 74 -31.302 11.940 27.755 1.00 0.00 C +ATOM 1222 O VAL A 74 -30.521 12.279 26.889 1.00 0.00 O +ATOM 1223 CB VAL A 74 -31.026 12.134 30.235 1.00 0.00 C +ATOM 1224 CG1 VAL A 74 -31.113 13.099 31.418 1.00 0.00 C +ATOM 1225 CG2 VAL A 74 -31.860 10.893 30.528 1.00 0.00 C +ATOM 1226 H VAL A 74 -33.534 12.638 29.843 1.00 0.00 H +ATOM 1227 HA VAL A 74 -31.064 13.763 28.851 1.00 0.00 H +ATOM 1228 HB VAL A 74 -29.997 11.848 30.077 1.00 0.00 H +ATOM 1229 HG11 VAL A 74 -31.406 12.557 32.305 1.00 0.00 H +ATOM 1230 HG12 VAL A 74 -31.844 13.864 31.206 1.00 0.00 H +ATOM 1231 HG13 VAL A 74 -30.148 13.557 31.580 1.00 0.00 H +ATOM 1232 HG21 VAL A 74 -31.880 10.716 31.592 1.00 0.00 H +ATOM 1233 HG22 VAL A 74 -31.426 10.042 30.026 1.00 0.00 H +ATOM 1234 HG23 VAL A 74 -32.864 11.048 30.170 1.00 0.00 H +ATOM 1235 N ARG A 75 -31.952 10.812 27.675 1.00 0.00 N +ATOM 1236 CA ARG A 75 -31.745 9.911 26.507 1.00 0.00 C +ATOM 1237 C ARG A 75 -31.936 10.700 25.211 1.00 0.00 C +ATOM 1238 O ARG A 75 -31.307 10.430 24.207 1.00 0.00 O +ATOM 1239 CB ARG A 75 -32.765 8.775 26.560 1.00 0.00 C +ATOM 1240 CG ARG A 75 -32.675 7.947 25.277 1.00 0.00 C +ATOM 1241 CD ARG A 75 -31.223 7.527 25.042 1.00 0.00 C +ATOM 1242 NE ARG A 75 -31.159 6.598 23.879 1.00 0.00 N +ATOM 1243 CZ ARG A 75 -30.759 7.035 22.717 1.00 0.00 C +ATOM 1244 NH1 ARG A 75 -29.491 7.003 22.409 1.00 0.00 N +ATOM 1245 NH2 ARG A 75 -31.627 7.504 21.862 1.00 0.00 N +ATOM 1246 H ARG A 75 -32.577 10.557 28.385 1.00 0.00 H +ATOM 1247 HA ARG A 75 -30.748 9.500 26.538 1.00 0.00 H +ATOM 1248 HB2 ARG A 75 -32.559 8.146 27.411 1.00 0.00 H +ATOM 1249 HB3 ARG A 75 -33.757 9.189 26.652 1.00 0.00 H +ATOM 1250 HG2 ARG A 75 -33.293 7.067 25.372 1.00 0.00 H +ATOM 1251 HG3 ARG A 75 -33.018 8.539 24.442 1.00 0.00 H +ATOM 1252 HD2 ARG A 75 -30.624 8.402 24.837 1.00 0.00 H +ATOM 1253 HD3 ARG A 75 -30.845 7.029 25.923 1.00 0.00 H +ATOM 1254 HE ARG A 75 -31.416 5.658 23.987 1.00 0.00 H +ATOM 1255 HH11 ARG A 75 -28.826 6.644 23.064 1.00 0.00 H +ATOM 1256 HH12 ARG A 75 -29.185 7.338 21.518 1.00 0.00 H +ATOM 1257 HH21 ARG A 75 -32.597 7.528 22.099 1.00 0.00 H +ATOM 1258 HH22 ARG A 75 -31.321 7.839 20.971 1.00 0.00 H +ATOM 1259 N SER A 76 -32.804 11.673 25.227 1.00 0.00 N +ATOM 1260 CA SER A 76 -33.046 12.480 23.998 1.00 0.00 C +ATOM 1261 C SER A 76 -31.937 13.523 23.832 1.00 0.00 C +ATOM 1262 O SER A 76 -32.001 14.374 22.968 1.00 0.00 O +ATOM 1263 CB SER A 76 -34.396 13.190 24.116 1.00 0.00 C +ATOM 1264 OG SER A 76 -34.277 14.286 25.011 1.00 0.00 O +ATOM 1265 H SER A 76 -33.302 11.867 26.048 1.00 0.00 H +ATOM 1266 HA SER A 76 -33.059 11.828 23.137 1.00 0.00 H +ATOM 1267 HB2 SER A 76 -34.701 13.549 23.145 1.00 0.00 H +ATOM 1268 HB3 SER A 76 -35.135 12.498 24.492 1.00 0.00 H +ATOM 1269 HG SER A 76 -34.032 13.941 25.873 1.00 0.00 H +ATOM 1270 N VAL A 77 -30.922 13.468 24.650 1.00 0.00 N +ATOM 1271 CA VAL A 77 -29.818 14.463 24.528 1.00 0.00 C +ATOM 1272 C VAL A 77 -29.115 14.283 23.180 1.00 0.00 C +ATOM 1273 O VAL A 77 -28.798 13.180 22.776 1.00 0.00 O +ATOM 1274 CB VAL A 77 -28.811 14.256 25.660 1.00 0.00 C +ATOM 1275 CG1 VAL A 77 -27.546 15.066 25.370 1.00 0.00 C +ATOM 1276 CG2 VAL A 77 -29.424 14.728 26.980 1.00 0.00 C +ATOM 1277 H VAL A 77 -30.885 12.776 25.342 1.00 0.00 H +ATOM 1278 HA VAL A 77 -30.227 15.461 24.588 1.00 0.00 H +ATOM 1279 HB VAL A 77 -28.560 13.208 25.733 1.00 0.00 H +ATOM 1280 HG11 VAL A 77 -27.800 16.114 25.294 1.00 0.00 H +ATOM 1281 HG12 VAL A 77 -27.110 14.732 24.440 1.00 0.00 H +ATOM 1282 HG13 VAL A 77 -26.837 14.925 26.172 1.00 0.00 H +ATOM 1283 HG21 VAL A 77 -28.975 15.667 27.269 1.00 0.00 H +ATOM 1284 HG22 VAL A 77 -29.239 13.990 27.746 1.00 0.00 H +ATOM 1285 HG23 VAL A 77 -30.488 14.860 26.856 1.00 0.00 H +ATOM 1286 N PRO A 78 -28.869 15.395 22.475 1.00 0.00 N +ATOM 1287 CA PRO A 78 -28.204 15.373 21.166 1.00 0.00 C +ATOM 1288 C PRO A 78 -26.736 14.956 21.280 1.00 0.00 C +ATOM 1289 O PRO A 78 -26.024 15.390 22.163 1.00 0.00 O +ATOM 1290 CB PRO A 78 -28.303 16.823 20.692 1.00 0.00 C +ATOM 1291 CG PRO A 78 -28.430 17.618 21.947 1.00 0.00 C +ATOM 1292 CD PRO A 78 -29.214 16.763 22.899 1.00 0.00 C +ATOM 1293 HA PRO A 78 -28.711 14.736 20.460 1.00 0.00 H +ATOM 1294 HB2 PRO A 78 -27.411 17.087 20.142 1.00 0.00 H +ATOM 1295 HB3 PRO A 78 -29.169 16.940 20.057 1.00 0.00 H +ATOM 1296 HG2 PRO A 78 -27.449 17.833 22.344 1.00 0.00 H +ATOM 1297 HG3 PRO A 78 -28.950 18.542 21.743 1.00 0.00 H +ATOM 1298 HD2 PRO A 78 -28.909 16.952 23.918 1.00 0.00 H +ATOM 1299 HD3 PRO A 78 -30.272 16.955 22.797 1.00 0.00 H +ATOM 1300 N TYR A 79 -26.282 14.112 20.392 1.00 0.00 N +ATOM 1301 CA TYR A 79 -24.862 13.659 20.441 1.00 0.00 C +ATOM 1302 C TYR A 79 -24.688 12.634 21.564 1.00 0.00 C +ATOM 1303 O TYR A 79 -23.615 12.100 21.764 1.00 0.00 O +ATOM 1304 CB TYR A 79 -23.946 14.860 20.694 1.00 0.00 C +ATOM 1305 CG TYR A 79 -24.281 15.961 19.716 1.00 0.00 C +ATOM 1306 CD1 TYR A 79 -23.814 15.892 18.398 1.00 0.00 C +ATOM 1307 CD2 TYR A 79 -25.058 17.051 20.126 1.00 0.00 C +ATOM 1308 CE1 TYR A 79 -24.124 16.911 17.490 1.00 0.00 C +ATOM 1309 CE2 TYR A 79 -25.368 18.071 19.217 1.00 0.00 C +ATOM 1310 CZ TYR A 79 -24.901 18.001 17.900 1.00 0.00 C +ATOM 1311 OH TYR A 79 -25.207 19.006 17.005 1.00 0.00 O +ATOM 1312 H TYR A 79 -26.879 13.774 19.692 1.00 0.00 H +ATOM 1313 HA TYR A 79 -24.602 13.203 19.498 1.00 0.00 H +ATOM 1314 HB2 TYR A 79 -24.088 15.218 21.703 1.00 0.00 H +ATOM 1315 HB3 TYR A 79 -22.917 14.562 20.561 1.00 0.00 H +ATOM 1316 HD1 TYR A 79 -23.214 15.051 18.081 1.00 0.00 H +ATOM 1317 HD2 TYR A 79 -25.418 17.105 21.143 1.00 0.00 H +ATOM 1318 HE1 TYR A 79 -23.763 16.857 16.473 1.00 0.00 H +ATOM 1319 HE2 TYR A 79 -25.968 18.912 19.534 1.00 0.00 H +ATOM 1320 HH TYR A 79 -24.454 19.600 16.956 1.00 0.00 H +ATOM 1321 N VAL A 80 -25.730 12.351 22.298 1.00 0.00 N +ATOM 1322 CA VAL A 80 -25.609 11.356 23.402 1.00 0.00 C +ATOM 1323 C VAL A 80 -25.873 9.953 22.849 1.00 0.00 C +ATOM 1324 O VAL A 80 -26.872 9.705 22.205 1.00 0.00 O +ATOM 1325 CB VAL A 80 -26.626 11.682 24.501 1.00 0.00 C +ATOM 1326 CG1 VAL A 80 -26.969 10.413 25.286 1.00 0.00 C +ATOM 1327 CG2 VAL A 80 -26.025 12.720 25.451 1.00 0.00 C +ATOM 1328 H VAL A 80 -26.590 12.789 22.123 1.00 0.00 H +ATOM 1329 HA VAL A 80 -24.611 11.397 23.813 1.00 0.00 H +ATOM 1330 HB VAL A 80 -27.523 12.082 24.053 1.00 0.00 H +ATOM 1331 HG11 VAL A 80 -27.713 10.643 26.034 1.00 0.00 H +ATOM 1332 HG12 VAL A 80 -26.078 10.037 25.768 1.00 0.00 H +ATOM 1333 HG13 VAL A 80 -27.356 9.664 24.611 1.00 0.00 H +ATOM 1334 HG21 VAL A 80 -25.712 13.586 24.888 1.00 0.00 H +ATOM 1335 HG22 VAL A 80 -25.173 12.292 25.958 1.00 0.00 H +ATOM 1336 HG23 VAL A 80 -26.767 13.014 26.179 1.00 0.00 H +ATOM 1337 N MET A 81 -24.980 9.034 23.095 1.00 0.00 N +ATOM 1338 CA MET A 81 -25.176 7.648 22.584 1.00 0.00 C +ATOM 1339 C MET A 81 -25.959 6.827 23.611 1.00 0.00 C +ATOM 1340 O MET A 81 -26.324 5.695 23.366 1.00 0.00 O +ATOM 1341 CB MET A 81 -23.814 6.997 22.341 1.00 0.00 C +ATOM 1342 CG MET A 81 -23.013 7.847 21.353 1.00 0.00 C +ATOM 1343 SD MET A 81 -24.010 8.148 19.872 1.00 0.00 S +ATOM 1344 CE MET A 81 -23.982 6.455 19.233 1.00 0.00 C +ATOM 1345 H MET A 81 -24.180 9.257 23.616 1.00 0.00 H +ATOM 1346 HA MET A 81 -25.728 7.683 21.656 1.00 0.00 H +ATOM 1347 HB2 MET A 81 -23.276 6.927 23.275 1.00 0.00 H +ATOM 1348 HB3 MET A 81 -23.956 6.007 21.932 1.00 0.00 H +ATOM 1349 HG2 MET A 81 -22.758 8.790 21.814 1.00 0.00 H +ATOM 1350 HG3 MET A 81 -22.109 7.325 21.079 1.00 0.00 H +ATOM 1351 HE1 MET A 81 -24.911 5.962 19.483 1.00 0.00 H +ATOM 1352 HE2 MET A 81 -23.161 5.915 19.676 1.00 0.00 H +ATOM 1353 HE3 MET A 81 -23.857 6.479 18.159 1.00 0.00 H +ATOM 1354 N GLY A 82 -26.218 7.385 24.762 1.00 0.00 N +ATOM 1355 CA GLY A 82 -26.975 6.632 25.802 1.00 0.00 C +ATOM 1356 C GLY A 82 -26.294 6.813 27.158 1.00 0.00 C +ATOM 1357 O GLY A 82 -25.638 7.805 27.407 1.00 0.00 O +ATOM 1358 H GLY A 82 -25.915 8.298 24.947 1.00 0.00 H +ATOM 1359 HA2 GLY A 82 -27.987 7.007 25.854 1.00 0.00 H +ATOM 1360 HA3 GLY A 82 -26.994 5.583 25.544 1.00 0.00 H +ATOM 1361 N PHE A 83 -26.443 5.863 28.041 1.00 0.00 N +ATOM 1362 CA PHE A 83 -25.803 5.983 29.381 1.00 0.00 C +ATOM 1363 C PHE A 83 -25.314 4.607 29.838 1.00 0.00 C +ATOM 1364 O PHE A 83 -25.962 3.603 29.615 1.00 0.00 O +ATOM 1365 CB PHE A 83 -26.822 6.524 30.383 1.00 0.00 C +ATOM 1366 CG PHE A 83 -27.523 7.723 29.789 1.00 0.00 C +ATOM 1367 CD1 PHE A 83 -26.928 8.988 29.861 1.00 0.00 C +ATOM 1368 CD2 PHE A 83 -28.767 7.570 29.165 1.00 0.00 C +ATOM 1369 CE1 PHE A 83 -27.575 10.100 29.311 1.00 0.00 C +ATOM 1370 CE2 PHE A 83 -29.416 8.682 28.614 1.00 0.00 C +ATOM 1371 CZ PHE A 83 -28.820 9.946 28.687 1.00 0.00 C +ATOM 1372 H PHE A 83 -26.977 5.070 27.822 1.00 0.00 H +ATOM 1373 HA PHE A 83 -24.965 6.660 29.319 1.00 0.00 H +ATOM 1374 HB2 PHE A 83 -27.547 5.758 30.607 1.00 0.00 H +ATOM 1375 HB3 PHE A 83 -26.315 6.816 31.290 1.00 0.00 H +ATOM 1376 HD1 PHE A 83 -25.968 9.106 30.342 1.00 0.00 H +ATOM 1377 HD2 PHE A 83 -29.226 6.594 29.110 1.00 0.00 H +ATOM 1378 HE1 PHE A 83 -27.116 11.075 29.367 1.00 0.00 H +ATOM 1379 HE2 PHE A 83 -30.375 8.564 28.133 1.00 0.00 H +ATOM 1380 HZ PHE A 83 -29.320 10.804 28.262 1.00 0.00 H +ATOM 1381 N VAL A 84 -24.177 4.551 30.475 1.00 0.00 N +ATOM 1382 CA VAL A 84 -23.651 3.238 30.943 1.00 0.00 C +ATOM 1383 C VAL A 84 -24.607 2.644 31.980 1.00 0.00 C +ATOM 1384 O VAL A 84 -24.978 3.292 32.938 1.00 0.00 O +ATOM 1385 CB VAL A 84 -22.272 3.437 31.575 1.00 0.00 C +ATOM 1386 CG1 VAL A 84 -21.674 2.075 31.936 1.00 0.00 C +ATOM 1387 CG2 VAL A 84 -21.354 4.148 30.580 1.00 0.00 C +ATOM 1388 H VAL A 84 -23.668 5.372 30.645 1.00 0.00 H +ATOM 1389 HA VAL A 84 -23.568 2.564 30.103 1.00 0.00 H +ATOM 1390 HB VAL A 84 -22.368 4.036 32.468 1.00 0.00 H +ATOM 1391 HG11 VAL A 84 -21.644 1.450 31.056 1.00 0.00 H +ATOM 1392 HG12 VAL A 84 -22.284 1.603 32.693 1.00 0.00 H +ATOM 1393 HG13 VAL A 84 -20.672 2.211 32.315 1.00 0.00 H +ATOM 1394 HG21 VAL A 84 -20.471 4.502 31.092 1.00 0.00 H +ATOM 1395 HG22 VAL A 84 -21.876 4.986 30.143 1.00 0.00 H +ATOM 1396 HG23 VAL A 84 -21.065 3.459 29.800 1.00 0.00 H +ATOM 1397 N SER A 85 -25.011 1.417 31.795 1.00 0.00 N +ATOM 1398 CA SER A 85 -25.945 0.786 32.769 1.00 0.00 C +ATOM 1399 C SER A 85 -25.928 -0.732 32.583 1.00 0.00 C +ATOM 1400 O SER A 85 -25.506 -1.238 31.562 1.00 0.00 O +ATOM 1401 CB SER A 85 -27.362 1.312 32.532 1.00 0.00 C +ATOM 1402 OG SER A 85 -27.989 0.537 31.522 1.00 0.00 O +ATOM 1403 H SER A 85 -24.702 0.912 31.014 1.00 0.00 H +ATOM 1404 HA SER A 85 -25.634 1.029 33.775 1.00 0.00 H +ATOM 1405 HB2 SER A 85 -27.931 1.240 33.448 1.00 0.00 H +ATOM 1406 HB3 SER A 85 -27.315 2.344 32.217 1.00 0.00 H +ATOM 1407 HG SER A 85 -27.395 0.495 30.769 1.00 0.00 H +ATOM 1408 N SER A 86 -26.388 -1.464 33.561 1.00 0.00 N +ATOM 1409 CA SER A 86 -26.403 -2.948 33.438 1.00 0.00 C +ATOM 1410 C SER A 86 -27.717 -3.392 32.791 1.00 0.00 C +ATOM 1411 O SER A 86 -27.757 -4.336 32.028 1.00 0.00 O +ATOM 1412 CB SER A 86 -26.280 -3.576 34.828 1.00 0.00 C +ATOM 1413 OG SER A 86 -25.336 -2.843 35.596 1.00 0.00 O +ATOM 1414 H SER A 86 -26.727 -1.037 34.375 1.00 0.00 H +ATOM 1415 HA SER A 86 -25.573 -3.267 32.825 1.00 0.00 H +ATOM 1416 HB2 SER A 86 -27.241 -3.551 35.320 1.00 0.00 H +ATOM 1417 HB3 SER A 86 -25.950 -4.600 34.733 1.00 0.00 H +ATOM 1418 HG SER A 86 -24.917 -3.451 36.209 1.00 0.00 H +ATOM 1419 N GLY A 87 -28.792 -2.715 33.089 1.00 0.00 N +ATOM 1420 CA GLY A 87 -30.102 -3.094 32.490 1.00 0.00 C +ATOM 1421 C GLY A 87 -30.694 -1.889 31.757 1.00 0.00 C +ATOM 1422 O GLY A 87 -30.486 -1.706 30.574 1.00 0.00 O +ATOM 1423 H GLY A 87 -28.736 -1.955 33.706 1.00 0.00 H +ATOM 1424 HA2 GLY A 87 -29.958 -3.905 31.792 1.00 0.00 H +ATOM 1425 HA3 GLY A 87 -30.778 -3.407 33.273 1.00 0.00 H +ATOM 1426 N GLY A 88 -31.429 -1.062 32.450 1.00 0.00 N +ATOM 1427 CA GLY A 88 -32.032 0.131 31.793 1.00 0.00 C +ATOM 1428 C GLY A 88 -31.263 1.386 32.213 1.00 0.00 C +ATOM 1429 O GLY A 88 -30.055 1.446 32.105 1.00 0.00 O +ATOM 1430 H GLY A 88 -31.584 -1.227 33.404 1.00 0.00 H +ATOM 1431 HA2 GLY A 88 -31.977 0.016 30.720 1.00 0.00 H +ATOM 1432 HA3 GLY A 88 -33.065 0.224 32.093 1.00 0.00 H +ATOM 1433 N GLN A 89 -31.960 2.390 32.680 1.00 0.00 N +ATOM 1434 CA GLN A 89 -31.280 3.651 33.102 1.00 0.00 C +ATOM 1435 C GLN A 89 -29.912 3.334 33.705 1.00 0.00 C +ATOM 1436 O GLN A 89 -29.671 2.246 34.187 1.00 0.00 O +ATOM 1437 CB GLN A 89 -32.133 4.365 34.149 1.00 0.00 C +ATOM 1438 CG GLN A 89 -32.312 3.459 35.369 1.00 0.00 C +ATOM 1439 CD GLN A 89 -33.301 2.340 35.035 1.00 0.00 C +ATOM 1440 OE1 GLN A 89 -34.017 2.419 34.057 1.00 0.00 O +ATOM 1441 NE2 GLN A 89 -33.370 1.294 35.811 1.00 0.00 N +ATOM 1442 H GLN A 89 -32.935 2.317 32.742 1.00 0.00 H +ATOM 1443 HA GLN A 89 -31.153 4.294 32.245 1.00 0.00 H +ATOM 1444 HB2 GLN A 89 -31.643 5.280 34.449 1.00 0.00 H +ATOM 1445 HB3 GLN A 89 -33.095 4.595 33.727 1.00 0.00 H +ATOM 1446 HG2 GLN A 89 -31.359 3.028 35.640 1.00 0.00 H +ATOM 1447 HG3 GLN A 89 -32.693 4.040 36.196 1.00 0.00 H +ATOM 1448 HE21 GLN A 89 -32.792 1.230 36.600 1.00 0.00 H +ATOM 1449 HE22 GLN A 89 -33.971 0.554 35.583 1.00 0.00 H +ATOM 1450 N PRO A 90 -29.001 4.314 33.671 1.00 0.00 N +ATOM 1451 CA PRO A 90 -27.648 4.152 34.208 1.00 0.00 C +ATOM 1452 C PRO A 90 -27.643 4.055 35.736 1.00 0.00 C +ATOM 1453 O PRO A 90 -28.579 4.458 36.398 1.00 0.00 O +ATOM 1454 CB PRO A 90 -26.930 5.425 33.761 1.00 0.00 C +ATOM 1455 CG PRO A 90 -28.019 6.427 33.580 1.00 0.00 C +ATOM 1456 CD PRO A 90 -29.220 5.657 33.107 1.00 0.00 C +ATOM 1457 HA PRO A 90 -27.148 3.299 33.788 1.00 0.00 H +ATOM 1458 HB2 PRO A 90 -26.229 5.733 34.523 1.00 0.00 H +ATOM 1459 HB3 PRO A 90 -26.402 5.239 32.837 1.00 0.00 H +ATOM 1460 HG2 PRO A 90 -28.225 6.916 34.520 1.00 0.00 H +ATOM 1461 HG3 PRO A 90 -27.722 7.160 32.843 1.00 0.00 H +ATOM 1462 HD2 PRO A 90 -30.128 6.103 33.486 1.00 0.00 H +ATOM 1463 HD3 PRO A 90 -29.254 5.633 32.028 1.00 0.00 H +ATOM 1464 N VAL A 91 -26.592 3.523 36.299 1.00 0.00 N +ATOM 1465 CA VAL A 91 -26.521 3.398 37.781 1.00 0.00 C +ATOM 1466 C VAL A 91 -25.688 4.548 38.350 1.00 0.00 C +ATOM 1467 O VAL A 91 -24.836 5.098 37.682 1.00 0.00 O +ATOM 1468 CB VAL A 91 -25.867 2.065 38.147 1.00 0.00 C +ATOM 1469 CG1 VAL A 91 -26.651 0.919 37.505 1.00 0.00 C +ATOM 1470 CG2 VAL A 91 -24.425 2.047 37.634 1.00 0.00 C +ATOM 1471 H VAL A 91 -25.849 3.206 35.744 1.00 0.00 H +ATOM 1472 HA VAL A 91 -27.519 3.436 38.194 1.00 0.00 H +ATOM 1473 HB VAL A 91 -25.869 1.945 39.220 1.00 0.00 H +ATOM 1474 HG11 VAL A 91 -26.907 0.190 38.259 1.00 0.00 H +ATOM 1475 HG12 VAL A 91 -26.044 0.450 36.743 1.00 0.00 H +ATOM 1476 HG13 VAL A 91 -27.554 1.307 37.057 1.00 0.00 H +ATOM 1477 HG21 VAL A 91 -23.745 2.128 38.469 1.00 0.00 H +ATOM 1478 HG22 VAL A 91 -24.272 2.879 36.963 1.00 0.00 H +ATOM 1479 HG23 VAL A 91 -24.242 1.122 37.109 1.00 0.00 H +ATOM 1480 N PRO A 92 -25.944 4.914 39.615 1.00 0.00 N +ATOM 1481 CA PRO A 92 -25.221 6.000 40.288 1.00 0.00 C +ATOM 1482 C PRO A 92 -23.771 5.615 40.592 1.00 0.00 C +ATOM 1483 O PRO A 92 -23.465 4.467 40.849 1.00 0.00 O +ATOM 1484 CB PRO A 92 -25.995 6.191 41.592 1.00 0.00 C +ATOM 1485 CG PRO A 92 -26.648 4.872 41.838 1.00 0.00 C +ATOM 1486 CD PRO A 92 -26.959 4.296 40.486 1.00 0.00 C +ATOM 1487 HA PRO A 92 -25.245 6.919 39.724 1.00 0.00 H +ATOM 1488 HB2 PRO A 92 -25.311 6.451 42.384 1.00 0.00 H +ATOM 1489 HB3 PRO A 92 -26.725 6.978 41.467 1.00 0.00 H +ATOM 1490 HG2 PRO A 92 -25.972 4.228 42.381 1.00 0.00 H +ATOM 1491 HG3 PRO A 92 -27.553 5.016 42.410 1.00 0.00 H +ATOM 1492 HD2 PRO A 92 -26.865 3.220 40.502 1.00 0.00 H +ATOM 1493 HD3 PRO A 92 -27.960 4.566 40.181 1.00 0.00 H +ATOM 1494 N VAL A 93 -22.876 6.564 40.567 1.00 0.00 N +ATOM 1495 CA VAL A 93 -21.448 6.250 40.855 1.00 0.00 C +ATOM 1496 C VAL A 93 -21.214 6.282 42.367 1.00 0.00 C +ATOM 1497 O VAL A 93 -21.767 7.104 43.073 1.00 0.00 O +ATOM 1498 CB VAL A 93 -20.550 7.288 40.179 1.00 0.00 C +ATOM 1499 CG1 VAL A 93 -19.088 6.854 40.298 1.00 0.00 C +ATOM 1500 CG2 VAL A 93 -20.929 7.404 38.701 1.00 0.00 C +ATOM 1501 H VAL A 93 -23.143 7.483 40.358 1.00 0.00 H +ATOM 1502 HA VAL A 93 -21.212 5.267 40.475 1.00 0.00 H +ATOM 1503 HB VAL A 93 -20.682 8.246 40.660 1.00 0.00 H +ATOM 1504 HG11 VAL A 93 -18.624 7.376 41.122 1.00 0.00 H +ATOM 1505 HG12 VAL A 93 -18.567 7.089 39.382 1.00 0.00 H +ATOM 1506 HG13 VAL A 93 -19.043 5.789 40.475 1.00 0.00 H +ATOM 1507 HG21 VAL A 93 -21.068 6.417 38.286 1.00 0.00 H +ATOM 1508 HG22 VAL A 93 -20.139 7.910 38.166 1.00 0.00 H +ATOM 1509 HG23 VAL A 93 -21.846 7.966 38.607 1.00 0.00 H +ATOM 1510 N LYS A 94 -20.398 5.397 42.870 1.00 0.00 N +ATOM 1511 CA LYS A 94 -20.130 5.380 44.336 1.00 0.00 C +ATOM 1512 C LYS A 94 -19.357 6.640 44.727 1.00 0.00 C +ATOM 1513 O LYS A 94 -18.324 6.945 44.165 1.00 0.00 O +ATOM 1514 CB LYS A 94 -19.303 4.143 44.689 1.00 0.00 C +ATOM 1515 CG LYS A 94 -19.225 4.001 46.210 1.00 0.00 C +ATOM 1516 CD LYS A 94 -18.233 2.893 46.570 1.00 0.00 C +ATOM 1517 CE LYS A 94 -18.270 2.644 48.080 1.00 0.00 C +ATOM 1518 NZ LYS A 94 -17.283 1.585 48.433 1.00 0.00 N +ATOM 1519 H LYS A 94 -19.963 4.743 42.285 1.00 0.00 H +ATOM 1520 HA LYS A 94 -21.067 5.352 44.873 1.00 0.00 H +ATOM 1521 HB2 LYS A 94 -19.769 3.264 44.269 1.00 0.00 H +ATOM 1522 HB3 LYS A 94 -18.306 4.250 44.287 1.00 0.00 H +ATOM 1523 HG2 LYS A 94 -18.895 4.933 46.644 1.00 0.00 H +ATOM 1524 HG3 LYS A 94 -20.201 3.749 46.599 1.00 0.00 H +ATOM 1525 HD2 LYS A 94 -18.502 1.986 46.049 1.00 0.00 H +ATOM 1526 HD3 LYS A 94 -17.237 3.192 46.278 1.00 0.00 H +ATOM 1527 HE2 LYS A 94 -18.019 3.557 48.600 1.00 0.00 H +ATOM 1528 HE3 LYS A 94 -19.260 2.324 48.368 1.00 0.00 H +ATOM 1529 HZ1 LYS A 94 -16.371 1.795 47.980 1.00 0.00 H +ATOM 1530 HZ2 LYS A 94 -17.632 0.662 48.101 1.00 0.00 H +ATOM 1531 HZ3 LYS A 94 -17.157 1.558 49.464 1.00 0.00 H +ATOM 1532 N ASP A 95 -19.849 7.377 45.686 1.00 0.00 N +ATOM 1533 CA ASP A 95 -19.142 8.617 46.112 1.00 0.00 C +ATOM 1534 C ASP A 95 -17.641 8.337 46.214 1.00 0.00 C +ATOM 1535 O ASP A 95 -16.823 9.108 45.753 1.00 0.00 O +ATOM 1536 CB ASP A 95 -19.671 9.063 47.475 1.00 0.00 C +ATOM 1537 CG ASP A 95 -19.199 10.489 47.763 1.00 0.00 C +ATOM 1538 OD1 ASP A 95 -18.535 11.056 46.910 1.00 0.00 O +ATOM 1539 OD2 ASP A 95 -19.509 10.991 48.831 1.00 0.00 O +ATOM 1540 H ASP A 95 -20.684 7.113 46.126 1.00 0.00 H +ATOM 1541 HA ASP A 95 -19.313 9.397 45.384 1.00 0.00 H +ATOM 1542 HB2 ASP A 95 -20.750 9.036 47.469 1.00 0.00 H +ATOM 1543 HB3 ASP A 95 -19.299 8.399 48.242 1.00 0.00 H +ATOM 1544 N ARG A 96 -17.272 7.238 46.816 1.00 0.00 N +ATOM 1545 CA ARG A 96 -15.825 6.910 46.948 1.00 0.00 C +ATOM 1546 C ARG A 96 -15.173 6.909 45.564 1.00 0.00 C +ATOM 1547 O ARG A 96 -14.009 7.223 45.415 1.00 0.00 O +ATOM 1548 CB ARG A 96 -15.672 5.527 47.584 1.00 0.00 C +ATOM 1549 CG ARG A 96 -16.236 5.554 49.006 1.00 0.00 C +ATOM 1550 CD ARG A 96 -15.850 4.263 49.731 1.00 0.00 C +ATOM 1551 NE ARG A 96 -16.593 4.176 51.020 1.00 0.00 N +ATOM 1552 CZ ARG A 96 -17.221 3.076 51.339 1.00 0.00 C +ATOM 1553 NH1 ARG A 96 -18.463 2.905 50.977 1.00 0.00 N +ATOM 1554 NH2 ARG A 96 -16.607 2.149 52.022 1.00 0.00 N +ATOM 1555 H ARG A 96 -17.948 6.630 47.180 1.00 0.00 H +ATOM 1556 HA ARG A 96 -15.344 7.649 47.572 1.00 0.00 H +ATOM 1557 HB2 ARG A 96 -16.211 4.799 46.996 1.00 0.00 H +ATOM 1558 HB3 ARG A 96 -14.626 5.260 47.617 1.00 0.00 H +ATOM 1559 HG2 ARG A 96 -15.831 6.401 49.538 1.00 0.00 H +ATOM 1560 HG3 ARG A 96 -17.312 5.636 48.964 1.00 0.00 H +ATOM 1561 HD2 ARG A 96 -16.101 3.414 49.113 1.00 0.00 H +ATOM 1562 HD3 ARG A 96 -14.788 4.264 49.927 1.00 0.00 H +ATOM 1563 HE ARG A 96 -16.611 4.944 51.628 1.00 0.00 H +ATOM 1564 HH11 ARG A 96 -18.934 3.616 50.454 1.00 0.00 H +ATOM 1565 HH12 ARG A 96 -18.943 2.064 51.221 1.00 0.00 H +ATOM 1566 HH21 ARG A 96 -15.655 2.280 52.300 1.00 0.00 H +ATOM 1567 HH22 ARG A 96 -17.089 1.306 52.266 1.00 0.00 H +ATOM 1568 N GLU A 97 -15.914 6.555 44.550 1.00 0.00 N +ATOM 1569 CA GLU A 97 -15.337 6.530 43.177 1.00 0.00 C +ATOM 1570 C GLU A 97 -15.288 7.952 42.613 1.00 0.00 C +ATOM 1571 O GLU A 97 -14.495 8.260 41.746 1.00 0.00 O +ATOM 1572 CB GLU A 97 -16.207 5.654 42.274 1.00 0.00 C +ATOM 1573 CG GLU A 97 -16.020 4.185 42.655 1.00 0.00 C +ATOM 1574 CD GLU A 97 -16.454 3.294 41.488 1.00 0.00 C +ATOM 1575 OE1 GLU A 97 -17.008 3.825 40.540 1.00 0.00 O +ATOM 1576 OE2 GLU A 97 -16.224 2.099 41.564 1.00 0.00 O +ATOM 1577 H GLU A 97 -16.851 6.304 44.692 1.00 0.00 H +ATOM 1578 HA GLU A 97 -14.337 6.124 43.215 1.00 0.00 H +ATOM 1579 HB2 GLU A 97 -17.244 5.929 42.399 1.00 0.00 H +ATOM 1580 HB3 GLU A 97 -15.918 5.799 41.244 1.00 0.00 H +ATOM 1581 HG2 GLU A 97 -14.979 4.001 42.880 1.00 0.00 H +ATOM 1582 HG3 GLU A 97 -16.620 3.958 43.524 1.00 0.00 H +ATOM 1583 N MET A 98 -16.129 8.824 43.100 1.00 0.00 N +ATOM 1584 CA MET A 98 -16.128 10.225 42.590 1.00 0.00 C +ATOM 1585 C MET A 98 -15.065 11.035 43.335 1.00 0.00 C +ATOM 1586 O MET A 98 -14.579 12.036 42.846 1.00 0.00 O +ATOM 1587 CB MET A 98 -17.503 10.853 42.820 1.00 0.00 C +ATOM 1588 CG MET A 98 -18.585 9.933 42.248 1.00 0.00 C +ATOM 1589 SD MET A 98 -20.213 10.673 42.525 1.00 0.00 S +ATOM 1590 CE MET A 98 -20.043 12.042 41.354 1.00 0.00 C +ATOM 1591 H MET A 98 -16.762 8.558 43.799 1.00 0.00 H +ATOM 1592 HA MET A 98 -15.904 10.223 41.534 1.00 0.00 H +ATOM 1593 HB2 MET A 98 -17.667 10.985 43.879 1.00 0.00 H +ATOM 1594 HB3 MET A 98 -17.548 11.812 42.326 1.00 0.00 H +ATOM 1595 HG2 MET A 98 -18.424 9.805 41.188 1.00 0.00 H +ATOM 1596 HG3 MET A 98 -18.538 8.973 42.740 1.00 0.00 H +ATOM 1597 HE1 MET A 98 -20.395 11.728 40.381 1.00 0.00 H +ATOM 1598 HE2 MET A 98 -19.007 12.330 41.282 1.00 0.00 H +ATOM 1599 HE3 MET A 98 -20.626 12.884 41.699 1.00 0.00 H +ATOM 1600 N ARG A 99 -14.704 10.612 44.516 1.00 0.00 N +ATOM 1601 CA ARG A 99 -13.675 11.353 45.301 1.00 0.00 C +ATOM 1602 C ARG A 99 -12.589 11.887 44.364 1.00 0.00 C +ATOM 1603 O ARG A 99 -12.270 13.059 44.379 1.00 0.00 O +ATOM 1604 CB ARG A 99 -13.043 10.410 46.326 1.00 0.00 C +ATOM 1605 CG ARG A 99 -13.988 10.244 47.518 1.00 0.00 C +ATOM 1606 CD ARG A 99 -13.242 9.567 48.669 1.00 0.00 C +ATOM 1607 NE ARG A 99 -13.890 9.925 49.962 1.00 0.00 N +ATOM 1608 CZ ARG A 99 -13.438 9.426 51.080 1.00 0.00 C +ATOM 1609 NH1 ARG A 99 -13.467 8.136 51.277 1.00 0.00 N +ATOM 1610 NH2 ARG A 99 -12.958 10.216 52.001 1.00 0.00 N +ATOM 1611 H ARG A 99 -15.115 9.804 44.890 1.00 0.00 H +ATOM 1612 HA ARG A 99 -14.143 12.178 45.816 1.00 0.00 H +ATOM 1613 HB2 ARG A 99 -12.867 9.446 45.870 1.00 0.00 H +ATOM 1614 HB3 ARG A 99 -12.105 10.823 46.666 1.00 0.00 H +ATOM 1615 HG2 ARG A 99 -14.338 11.214 47.837 1.00 0.00 H +ATOM 1616 HG3 ARG A 99 -14.830 9.634 47.227 1.00 0.00 H +ATOM 1617 HD2 ARG A 99 -13.271 8.495 48.537 1.00 0.00 H +ATOM 1618 HD3 ARG A 99 -12.215 9.900 48.678 1.00 0.00 H +ATOM 1619 HE ARG A 99 -14.656 10.537 49.973 1.00 0.00 H +ATOM 1620 HH11 ARG A 99 -13.836 7.530 50.571 1.00 0.00 H +ATOM 1621 HH12 ARG A 99 -13.121 7.753 52.133 1.00 0.00 H +ATOM 1622 HH21 ARG A 99 -12.935 11.204 51.850 1.00 0.00 H +ATOM 1623 HH22 ARG A 99 -12.611 9.832 52.857 1.00 0.00 H +ATOM 1624 N PRO A 100 -12.007 11.008 43.533 1.00 0.00 N +ATOM 1625 CA PRO A 100 -10.950 11.394 42.588 1.00 0.00 C +ATOM 1626 C PRO A 100 -11.486 12.280 41.458 1.00 0.00 C +ATOM 1627 O PRO A 100 -10.772 13.092 40.905 1.00 0.00 O +ATOM 1628 CB PRO A 100 -10.469 10.057 42.023 1.00 0.00 C +ATOM 1629 CG PRO A 100 -11.631 9.139 42.189 1.00 0.00 C +ATOM 1630 CD PRO A 100 -12.331 9.572 43.446 1.00 0.00 C +ATOM 1631 HA PRO A 100 -10.125 11.886 43.076 1.00 0.00 H +ATOM 1632 HB2 PRO A 100 -10.203 10.178 40.984 1.00 0.00 H +ATOM 1633 HB3 PRO A 100 -9.609 9.717 42.581 1.00 0.00 H +ATOM 1634 HG2 PRO A 100 -12.288 9.224 41.337 1.00 0.00 H +ATOM 1635 HG3 PRO A 100 -11.280 8.121 42.278 1.00 0.00 H +ATOM 1636 HD2 PRO A 100 -13.394 9.408 43.361 1.00 0.00 H +ATOM 1637 HD3 PRO A 100 -11.949 9.028 44.298 1.00 0.00 H +ATOM 1638 N ILE A 101 -12.736 12.135 41.114 1.00 0.00 N +ATOM 1639 CA ILE A 101 -13.307 12.974 40.021 1.00 0.00 C +ATOM 1640 C ILE A 101 -13.701 14.341 40.584 1.00 0.00 C +ATOM 1641 O ILE A 101 -13.481 15.364 39.966 1.00 0.00 O +ATOM 1642 CB ILE A 101 -14.541 12.284 39.436 1.00 0.00 C +ATOM 1643 CG1 ILE A 101 -14.150 10.906 38.896 1.00 0.00 C +ATOM 1644 CG2 ILE A 101 -15.107 13.136 38.298 1.00 0.00 C +ATOM 1645 CD1 ILE A 101 -12.898 11.036 38.026 1.00 0.00 C +ATOM 1646 H ILE A 101 -13.298 11.476 41.572 1.00 0.00 H +ATOM 1647 HA ILE A 101 -12.567 13.105 39.246 1.00 0.00 H +ATOM 1648 HB ILE A 101 -15.289 12.169 40.205 1.00 0.00 H +ATOM 1649 HG12 ILE A 101 -13.947 10.241 39.722 1.00 0.00 H +ATOM 1650 HG13 ILE A 101 -14.960 10.509 38.303 1.00 0.00 H +ATOM 1651 HG21 ILE A 101 -14.557 12.935 37.391 1.00 0.00 H +ATOM 1652 HG22 ILE A 101 -15.017 14.182 38.550 1.00 0.00 H +ATOM 1653 HG23 ILE A 101 -16.149 12.890 38.149 1.00 0.00 H +ATOM 1654 HD11 ILE A 101 -12.763 10.131 37.452 1.00 0.00 H +ATOM 1655 HD12 ILE A 101 -12.036 11.194 38.657 1.00 0.00 H +ATOM 1656 HD13 ILE A 101 -13.011 11.874 37.355 1.00 0.00 H +ATOM 1657 N LEU A 102 -14.278 14.369 41.755 1.00 0.00 N +ATOM 1658 CA LEU A 102 -14.681 15.672 42.357 1.00 0.00 C +ATOM 1659 C LEU A 102 -13.424 16.460 42.736 1.00 0.00 C +ATOM 1660 O LEU A 102 -13.342 17.655 42.531 1.00 0.00 O +ATOM 1661 CB LEU A 102 -15.518 15.418 43.614 1.00 0.00 C +ATOM 1662 CG LEU A 102 -16.903 14.863 43.242 1.00 0.00 C +ATOM 1663 CD1 LEU A 102 -16.985 14.565 41.741 1.00 0.00 C +ATOM 1664 CD2 LEU A 102 -17.152 13.573 44.026 1.00 0.00 C +ATOM 1665 H LEU A 102 -14.445 13.535 42.240 1.00 0.00 H +ATOM 1666 HA LEU A 102 -15.258 16.239 41.644 1.00 0.00 H +ATOM 1667 HB2 LEU A 102 -15.007 14.704 44.243 1.00 0.00 H +ATOM 1668 HB3 LEU A 102 -15.640 16.345 44.154 1.00 0.00 H +ATOM 1669 HG LEU A 102 -17.658 15.588 43.503 1.00 0.00 H +ATOM 1670 HD11 LEU A 102 -16.294 13.773 41.493 1.00 0.00 H +ATOM 1671 HD12 LEU A 102 -16.736 15.452 41.182 1.00 0.00 H +ATOM 1672 HD13 LEU A 102 -17.990 14.254 41.493 1.00 0.00 H +ATOM 1673 HD21 LEU A 102 -17.329 13.810 45.064 1.00 0.00 H +ATOM 1674 HD22 LEU A 102 -16.287 12.931 43.945 1.00 0.00 H +ATOM 1675 HD23 LEU A 102 -18.015 13.066 43.621 1.00 0.00 H +ATOM 1676 N ARG A 103 -12.443 15.797 43.283 1.00 0.00 N +ATOM 1677 CA ARG A 103 -11.190 16.504 43.670 1.00 0.00 C +ATOM 1678 C ARG A 103 -10.527 17.066 42.412 1.00 0.00 C +ATOM 1679 O ARG A 103 -10.168 18.225 42.349 1.00 0.00 O +ATOM 1680 CB ARG A 103 -10.236 15.519 44.351 1.00 0.00 C +ATOM 1681 CG ARG A 103 -8.845 16.147 44.457 1.00 0.00 C +ATOM 1682 CD ARG A 103 -8.910 17.378 45.364 1.00 0.00 C +ATOM 1683 NE ARG A 103 -7.528 17.788 45.740 1.00 0.00 N +ATOM 1684 CZ ARG A 103 -6.678 18.139 44.814 1.00 0.00 C +ATOM 1685 NH1 ARG A 103 -7.084 18.832 43.785 1.00 0.00 N +ATOM 1686 NH2 ARG A 103 -5.423 17.798 44.917 1.00 0.00 N +ATOM 1687 H ARG A 103 -12.532 14.832 43.433 1.00 0.00 H +ATOM 1688 HA ARG A 103 -11.424 17.311 44.348 1.00 0.00 H +ATOM 1689 HB2 ARG A 103 -10.601 15.287 45.339 1.00 0.00 H +ATOM 1690 HB3 ARG A 103 -10.177 14.613 43.767 1.00 0.00 H +ATOM 1691 HG2 ARG A 103 -8.156 15.428 44.874 1.00 0.00 H +ATOM 1692 HG3 ARG A 103 -8.508 16.442 43.474 1.00 0.00 H +ATOM 1693 HD2 ARG A 103 -9.396 18.187 44.841 1.00 0.00 H +ATOM 1694 HD3 ARG A 103 -9.469 17.138 46.257 1.00 0.00 H +ATOM 1695 HE ARG A 103 -7.257 17.795 46.682 1.00 0.00 H +ATOM 1696 HH11 ARG A 103 -8.046 19.092 43.707 1.00 0.00 H +ATOM 1697 HH12 ARG A 103 -6.433 19.101 43.076 1.00 0.00 H +ATOM 1698 HH21 ARG A 103 -5.112 17.267 45.705 1.00 0.00 H +ATOM 1699 HH22 ARG A 103 -4.772 18.068 44.208 1.00 0.00 H +ATOM 1700 N LEU A 104 -10.373 16.252 41.405 1.00 0.00 N +ATOM 1701 CA LEU A 104 -9.741 16.735 40.147 1.00 0.00 C +ATOM 1702 C LEU A 104 -10.720 17.653 39.412 1.00 0.00 C +ATOM 1703 O LEU A 104 -10.334 18.629 38.800 1.00 0.00 O +ATOM 1704 CB LEU A 104 -9.397 15.540 39.258 1.00 0.00 C +ATOM 1705 CG LEU A 104 -8.864 16.039 37.914 1.00 0.00 C +ATOM 1706 CD1 LEU A 104 -7.399 15.623 37.761 1.00 0.00 C +ATOM 1707 CD2 LEU A 104 -9.690 15.429 36.780 1.00 0.00 C +ATOM 1708 H LEU A 104 -10.683 15.324 41.478 1.00 0.00 H +ATOM 1709 HA LEU A 104 -8.841 17.282 40.381 1.00 0.00 H +ATOM 1710 HB2 LEU A 104 -8.644 14.937 39.743 1.00 0.00 H +ATOM 1711 HB3 LEU A 104 -10.283 14.947 39.095 1.00 0.00 H +ATOM 1712 HG LEU A 104 -8.938 17.116 37.874 1.00 0.00 H +ATOM 1713 HD11 LEU A 104 -7.188 14.798 38.425 1.00 0.00 H +ATOM 1714 HD12 LEU A 104 -6.760 16.457 38.006 1.00 0.00 H +ATOM 1715 HD13 LEU A 104 -7.217 15.318 36.740 1.00 0.00 H +ATOM 1716 HD21 LEU A 104 -9.092 15.386 35.882 1.00 0.00 H +ATOM 1717 HD22 LEU A 104 -10.563 16.039 36.603 1.00 0.00 H +ATOM 1718 HD23 LEU A 104 -9.998 14.431 37.056 1.00 0.00 H +ATOM 1719 N ALA A 105 -11.986 17.343 39.470 1.00 0.00 N +ATOM 1720 CA ALA A 105 -12.995 18.190 38.776 1.00 0.00 C +ATOM 1721 C ALA A 105 -13.139 19.530 39.501 1.00 0.00 C +ATOM 1722 O ALA A 105 -13.906 20.382 39.098 1.00 0.00 O +ATOM 1723 CB ALA A 105 -14.344 17.470 38.770 1.00 0.00 C +ATOM 1724 H ALA A 105 -12.274 16.548 39.965 1.00 0.00 H +ATOM 1725 HA ALA A 105 -12.679 18.366 37.758 1.00 0.00 H +ATOM 1726 HB1 ALA A 105 -14.615 17.206 39.781 1.00 0.00 H +ATOM 1727 HB2 ALA A 105 -14.273 16.574 38.171 1.00 0.00 H +ATOM 1728 HB3 ALA A 105 -15.099 18.122 38.354 1.00 0.00 H +ATOM 1729 N GLY A 106 -12.411 19.732 40.568 1.00 0.00 N +ATOM 1730 CA GLY A 106 -12.520 21.024 41.303 1.00 0.00 C +ATOM 1731 C GLY A 106 -13.809 21.035 42.128 1.00 0.00 C +ATOM 1732 O GLY A 106 -14.180 22.040 42.701 1.00 0.00 O +ATOM 1733 H GLY A 106 -11.792 19.041 40.887 1.00 0.00 H +ATOM 1734 HA2 GLY A 106 -11.671 21.136 41.961 1.00 0.00 H +ATOM 1735 HA3 GLY A 106 -12.537 21.840 40.597 1.00 0.00 H +ATOM 1736 N LEU A 107 -14.493 19.926 42.194 1.00 0.00 N +ATOM 1737 CA LEU A 107 -15.755 19.876 42.983 1.00 0.00 C +ATOM 1738 C LEU A 107 -15.421 19.783 44.472 1.00 0.00 C +ATOM 1739 O LEU A 107 -16.235 20.085 45.321 1.00 0.00 O +ATOM 1740 CB LEU A 107 -16.569 18.649 42.568 1.00 0.00 C +ATOM 1741 CG LEU A 107 -16.903 18.738 41.078 1.00 0.00 C +ATOM 1742 CD1 LEU A 107 -17.849 17.598 40.698 1.00 0.00 C +ATOM 1743 CD2 LEU A 107 -17.579 20.080 40.785 1.00 0.00 C +ATOM 1744 H LEU A 107 -14.175 19.126 41.725 1.00 0.00 H +ATOM 1745 HA LEU A 107 -16.332 20.771 42.798 1.00 0.00 H +ATOM 1746 HB2 LEU A 107 -15.992 17.755 42.754 1.00 0.00 H +ATOM 1747 HB3 LEU A 107 -17.484 18.614 43.140 1.00 0.00 H +ATOM 1748 HG LEU A 107 -15.994 18.660 40.500 1.00 0.00 H +ATOM 1749 HD11 LEU A 107 -18.788 18.007 40.357 1.00 0.00 H +ATOM 1750 HD12 LEU A 107 -18.022 16.972 41.561 1.00 0.00 H +ATOM 1751 HD13 LEU A 107 -17.404 17.008 39.909 1.00 0.00 H +ATOM 1752 HD21 LEU A 107 -16.852 20.767 40.378 1.00 0.00 H +ATOM 1753 HD22 LEU A 107 -17.984 20.486 41.700 1.00 0.00 H +ATOM 1754 HD23 LEU A 107 -18.376 19.934 40.073 1.00 0.00 H +ATOM 1755 N GLU A 108 -14.227 19.367 44.797 1.00 0.00 N +ATOM 1756 CA GLU A 108 -13.843 19.254 46.231 1.00 0.00 C +ATOM 1757 C GLU A 108 -12.368 19.631 46.398 1.00 0.00 C +ATOM 1758 O GLU A 108 -11.513 19.160 45.676 1.00 0.00 O +ATOM 1759 CB GLU A 108 -14.054 17.814 46.703 1.00 0.00 C +ATOM 1760 CG GLU A 108 -13.655 17.696 48.175 1.00 0.00 C +ATOM 1761 CD GLU A 108 -14.788 18.228 49.054 1.00 0.00 C +ATOM 1762 OE1 GLU A 108 -15.909 18.280 48.576 1.00 0.00 O +ATOM 1763 OE2 GLU A 108 -14.514 18.577 50.192 1.00 0.00 O +ATOM 1764 H GLU A 108 -13.585 19.127 44.097 1.00 0.00 H +ATOM 1765 HA GLU A 108 -14.454 19.919 46.822 1.00 0.00 H +ATOM 1766 HB2 GLU A 108 -15.094 17.547 46.590 1.00 0.00 H +ATOM 1767 HB3 GLU A 108 -13.445 17.148 46.110 1.00 0.00 H +ATOM 1768 HG2 GLU A 108 -13.468 16.659 48.416 1.00 0.00 H +ATOM 1769 HG3 GLU A 108 -12.760 18.273 48.352 1.00 0.00 H +ATOM 1770 N GLU A 109 -12.067 20.478 47.344 1.00 0.00 N +ATOM 1771 CA GLU A 109 -10.649 20.882 47.557 1.00 0.00 C +ATOM 1772 C GLU A 109 -10.215 20.490 48.971 1.00 0.00 C +ATOM 1773 O GLU A 109 -10.710 21.013 49.950 1.00 0.00 O +ATOM 1774 CB GLU A 109 -10.519 22.397 47.386 1.00 0.00 C +ATOM 1775 CG GLU A 109 -10.983 22.794 45.983 1.00 0.00 C +ATOM 1776 CD GLU A 109 -10.819 24.304 45.799 1.00 0.00 C +ATOM 1777 OE1 GLU A 109 -10.560 24.976 46.785 1.00 0.00 O +ATOM 1778 OE2 GLU A 109 -10.954 24.764 44.677 1.00 0.00 O +ATOM 1779 H GLU A 109 -12.772 20.845 47.916 1.00 0.00 H +ATOM 1780 HA GLU A 109 -10.019 20.383 46.836 1.00 0.00 H +ATOM 1781 HB2 GLU A 109 -11.132 22.898 48.122 1.00 0.00 H +ATOM 1782 HB3 GLU A 109 -9.488 22.688 47.518 1.00 0.00 H +ATOM 1783 HG2 GLU A 109 -10.388 22.276 45.246 1.00 0.00 H +ATOM 1784 HG3 GLU A 109 -12.022 22.528 45.858 1.00 0.00 H +ATOM 1785 N TYR A 110 -9.295 19.571 49.087 1.00 0.00 N +ATOM 1786 CA TYR A 110 -8.832 19.147 50.439 1.00 0.00 C +ATOM 1787 C TYR A 110 -7.311 19.286 50.526 1.00 0.00 C +ATOM 1788 O TYR A 110 -6.644 19.536 49.542 1.00 0.00 O +ATOM 1789 CB TYR A 110 -9.226 17.688 50.678 1.00 0.00 C +ATOM 1790 CG TYR A 110 -8.397 16.791 49.788 1.00 0.00 C +ATOM 1791 CD1 TYR A 110 -7.157 16.316 50.233 1.00 0.00 C +ATOM 1792 CD2 TYR A 110 -8.869 16.434 48.520 1.00 0.00 C +ATOM 1793 CE1 TYR A 110 -6.389 15.486 49.410 1.00 0.00 C +ATOM 1794 CE2 TYR A 110 -8.100 15.604 47.696 1.00 0.00 C +ATOM 1795 CZ TYR A 110 -6.861 15.129 48.140 1.00 0.00 C +ATOM 1796 OH TYR A 110 -6.103 14.309 47.328 1.00 0.00 O +ATOM 1797 H TYR A 110 -8.908 19.161 48.286 1.00 0.00 H +ATOM 1798 HA TYR A 110 -9.294 19.771 51.190 1.00 0.00 H +ATOM 1799 HB2 TYR A 110 -9.048 17.432 51.712 1.00 0.00 H +ATOM 1800 HB3 TYR A 110 -10.273 17.554 50.448 1.00 0.00 H +ATOM 1801 HD1 TYR A 110 -6.794 16.591 51.212 1.00 0.00 H +ATOM 1802 HD2 TYR A 110 -9.825 16.800 48.177 1.00 0.00 H +ATOM 1803 HE1 TYR A 110 -5.433 15.120 49.753 1.00 0.00 H +ATOM 1804 HE2 TYR A 110 -8.464 15.329 46.717 1.00 0.00 H +ATOM 1805 HH TYR A 110 -5.179 14.528 47.464 1.00 0.00 H +ATOM 1806 N GLU A 111 -6.757 19.126 51.697 1.00 0.00 N +ATOM 1807 CA GLU A 111 -5.280 19.248 51.846 1.00 0.00 C +ATOM 1808 C GLU A 111 -4.655 17.853 51.894 1.00 0.00 C +ATOM 1809 O GLU A 111 -4.343 17.267 50.877 1.00 0.00 O +ATOM 1810 CB GLU A 111 -4.958 19.997 53.141 1.00 0.00 C +ATOM 1811 CG GLU A 111 -5.296 21.479 52.970 1.00 0.00 C +ATOM 1812 CD GLU A 111 -4.965 22.228 54.263 1.00 0.00 C +ATOM 1813 OE1 GLU A 111 -4.474 21.596 55.183 1.00 0.00 O +ATOM 1814 OE2 GLU A 111 -5.210 23.423 54.311 1.00 0.00 O +ATOM 1815 H GLU A 111 -7.313 18.925 52.478 1.00 0.00 H +ATOM 1816 HA GLU A 111 -4.877 19.794 51.005 1.00 0.00 H +ATOM 1817 HB2 GLU A 111 -5.543 19.586 53.950 1.00 0.00 H +ATOM 1818 HB3 GLU A 111 -3.907 19.891 53.367 1.00 0.00 H +ATOM 1819 HG2 GLU A 111 -4.715 21.890 52.158 1.00 0.00 H +ATOM 1820 HG3 GLU A 111 -6.348 21.586 52.751 1.00 0.00 H +ATOM 1821 N GLU A 112 -4.470 17.314 53.069 1.00 0.00 N +ATOM 1822 CA GLU A 112 -3.867 15.957 53.179 1.00 0.00 C +ATOM 1823 C GLU A 112 -2.668 15.853 52.236 1.00 0.00 C +ATOM 1824 O GLU A 112 -2.734 15.222 51.200 1.00 0.00 O +ATOM 1825 CB GLU A 112 -4.908 14.904 52.797 1.00 0.00 C +ATOM 1826 CG GLU A 112 -4.461 13.534 53.310 1.00 0.00 C +ATOM 1827 CD GLU A 112 -5.427 12.461 52.804 1.00 0.00 C +ATOM 1828 OE1 GLU A 112 -6.472 12.827 52.291 1.00 0.00 O +ATOM 1829 OE2 GLU A 112 -5.107 11.292 52.937 1.00 0.00 O +ATOM 1830 H GLU A 112 -4.729 17.802 53.878 1.00 0.00 H +ATOM 1831 HA GLU A 112 -3.542 15.788 54.196 1.00 0.00 H +ATOM 1832 HB2 GLU A 112 -5.859 15.162 53.238 1.00 0.00 H +ATOM 1833 HB3 GLU A 112 -5.006 14.872 51.723 1.00 0.00 H +ATOM 1834 HG2 GLU A 112 -3.466 13.321 52.950 1.00 0.00 H +ATOM 1835 HG3 GLU A 112 -4.460 13.536 54.390 1.00 0.00 H +ATOM 1836 N LYS A 113 -1.573 16.467 52.586 1.00 0.00 N +ATOM 1837 CA LYS A 113 -0.370 16.402 51.709 1.00 0.00 C +ATOM 1838 C LYS A 113 0.867 16.819 52.507 1.00 0.00 C +ATOM 1839 O LYS A 113 1.743 17.495 52.005 1.00 0.00 O +ATOM 1840 CB LYS A 113 -0.554 17.348 50.521 1.00 0.00 C +ATOM 1841 CG LYS A 113 -0.632 18.791 51.023 1.00 0.00 C +ATOM 1842 CD LYS A 113 -0.939 19.723 49.848 1.00 0.00 C +ATOM 1843 CE LYS A 113 -0.591 21.161 50.235 1.00 0.00 C +ATOM 1844 NZ LYS A 113 0.884 21.358 50.142 1.00 0.00 N +ATOM 1845 H LYS A 113 -1.542 16.970 53.426 1.00 0.00 H +ATOM 1846 HA LYS A 113 -0.242 15.392 51.348 1.00 0.00 H +ATOM 1847 HB2 LYS A 113 0.284 17.247 49.847 1.00 0.00 H +ATOM 1848 HB3 LYS A 113 -1.467 17.098 50.000 1.00 0.00 H +ATOM 1849 HG2 LYS A 113 -1.416 18.872 51.762 1.00 0.00 H +ATOM 1850 HG3 LYS A 113 0.312 19.069 51.466 1.00 0.00 H +ATOM 1851 HD2 LYS A 113 -0.351 19.428 48.992 1.00 0.00 H +ATOM 1852 HD3 LYS A 113 -1.989 19.660 49.603 1.00 0.00 H +ATOM 1853 HE2 LYS A 113 -1.088 21.845 49.562 1.00 0.00 H +ATOM 1854 HE3 LYS A 113 -0.917 21.351 51.247 1.00 0.00 H +ATOM 1855 HZ1 LYS A 113 1.178 22.095 50.813 1.00 0.00 H +ATOM 1856 HZ2 LYS A 113 1.134 21.646 49.174 1.00 0.00 H +ATOM 1857 HZ3 LYS A 113 1.367 20.468 50.375 1.00 0.00 H +ATOM 1858 N LYS A 114 0.948 16.418 53.746 1.00 0.00 N +ATOM 1859 CA LYS A 114 2.130 16.790 54.574 1.00 0.00 C +ATOM 1860 C LYS A 114 3.084 15.597 54.660 1.00 0.00 C +ATOM 1861 O LYS A 114 3.747 15.391 55.657 1.00 0.00 O +ATOM 1862 CB LYS A 114 1.667 17.175 55.981 1.00 0.00 C +ATOM 1863 CG LYS A 114 1.187 15.924 56.719 1.00 0.00 C +ATOM 1864 CD LYS A 114 0.645 16.319 58.094 1.00 0.00 C +ATOM 1865 CE LYS A 114 0.385 15.059 58.921 1.00 0.00 C +ATOM 1866 NZ LYS A 114 1.482 14.882 59.915 1.00 0.00 N +ATOM 1867 H LYS A 114 0.231 15.872 54.132 1.00 0.00 H +ATOM 1868 HA LYS A 114 2.639 17.627 54.120 1.00 0.00 H +ATOM 1869 HB2 LYS A 114 2.490 17.618 56.522 1.00 0.00 H +ATOM 1870 HB3 LYS A 114 0.857 17.886 55.912 1.00 0.00 H +ATOM 1871 HG2 LYS A 114 0.404 15.447 56.147 1.00 0.00 H +ATOM 1872 HG3 LYS A 114 2.012 15.239 56.841 1.00 0.00 H +ATOM 1873 HD2 LYS A 114 1.369 16.940 58.602 1.00 0.00 H +ATOM 1874 HD3 LYS A 114 -0.277 16.867 57.974 1.00 0.00 H +ATOM 1875 HE2 LYS A 114 -0.558 15.157 59.439 1.00 0.00 H +ATOM 1876 HE3 LYS A 114 0.349 14.200 58.267 1.00 0.00 H +ATOM 1877 HZ1 LYS A 114 2.389 15.148 59.483 1.00 0.00 H +ATOM 1878 HZ2 LYS A 114 1.518 13.886 60.216 1.00 0.00 H +ATOM 1879 HZ3 LYS A 114 1.303 15.487 60.741 1.00 0.00 H +ATOM 1880 N LYS A 115 3.159 14.810 53.622 1.00 0.00 N +ATOM 1881 CA LYS A 115 4.070 13.631 53.645 1.00 0.00 C +ATOM 1882 C LYS A 115 4.951 13.642 52.394 1.00 0.00 C +ATOM 1883 O LYS A 115 4.959 12.705 51.621 1.00 0.00 O +ATOM 1884 CB LYS A 115 3.239 12.347 53.672 1.00 0.00 C +ATOM 1885 CG LYS A 115 4.104 11.190 54.177 1.00 0.00 C +ATOM 1886 CD LYS A 115 3.624 10.763 55.565 1.00 0.00 C +ATOM 1887 CE LYS A 115 3.504 9.238 55.617 1.00 0.00 C +ATOM 1888 NZ LYS A 115 4.059 8.739 56.907 1.00 0.00 N +ATOM 1889 H LYS A 115 2.615 14.994 52.828 1.00 0.00 H +ATOM 1890 HA LYS A 115 4.694 13.675 54.525 1.00 0.00 H +ATOM 1891 HB2 LYS A 115 2.394 12.478 54.331 1.00 0.00 H +ATOM 1892 HB3 LYS A 115 2.887 12.125 52.675 1.00 0.00 H +ATOM 1893 HG2 LYS A 115 4.023 10.356 53.496 1.00 0.00 H +ATOM 1894 HG3 LYS A 115 5.135 11.510 54.234 1.00 0.00 H +ATOM 1895 HD2 LYS A 115 4.335 11.093 56.309 1.00 0.00 H +ATOM 1896 HD3 LYS A 115 2.661 11.207 55.766 1.00 0.00 H +ATOM 1897 HE2 LYS A 115 2.464 8.956 55.539 1.00 0.00 H +ATOM 1898 HE3 LYS A 115 4.056 8.806 54.796 1.00 0.00 H +ATOM 1899 HZ1 LYS A 115 4.605 9.496 57.365 1.00 0.00 H +ATOM 1900 HZ2 LYS A 115 4.680 7.924 56.724 1.00 0.00 H +ATOM 1901 HZ3 LYS A 115 3.280 8.451 57.531 1.00 0.00 H +ATOM 1902 N PRO A 116 5.707 14.732 52.196 1.00 0.00 N +ATOM 1903 CA PRO A 116 6.600 14.878 51.040 1.00 0.00 C +ATOM 1904 C PRO A 116 7.805 13.937 51.131 1.00 0.00 C +ATOM 1905 O PRO A 116 8.877 14.323 51.552 1.00 0.00 O +ATOM 1906 CB PRO A 116 7.063 16.332 51.126 1.00 0.00 C +ATOM 1907 CG PRO A 116 6.929 16.684 52.570 1.00 0.00 C +ATOM 1908 CD PRO A 116 5.751 15.905 53.086 1.00 0.00 C +ATOM 1909 HA PRO A 116 6.087 14.726 50.104 1.00 0.00 H +ATOM 1910 HB2 PRO A 116 8.088 16.406 50.792 1.00 0.00 H +ATOM 1911 HB3 PRO A 116 6.433 16.951 50.505 1.00 0.00 H +ATOM 1912 HG2 PRO A 116 7.830 16.407 53.097 1.00 0.00 H +ATOM 1913 HG3 PRO A 116 6.760 17.745 52.671 1.00 0.00 H +ATOM 1914 HD2 PRO A 116 5.909 15.617 54.114 1.00 0.00 H +ATOM 1915 HD3 PRO A 116 4.848 16.493 53.010 1.00 0.00 H +ATOM 1916 N VAL A 117 7.637 12.702 50.741 1.00 0.00 N +ATOM 1917 CA VAL A 117 8.771 11.738 50.807 1.00 0.00 C +ATOM 1918 C VAL A 117 8.955 11.069 49.443 1.00 0.00 C +ATOM 1919 O VAL A 117 8.021 10.548 48.866 1.00 0.00 O +ATOM 1920 CB VAL A 117 8.474 10.673 51.862 1.00 0.00 C +ATOM 1921 CG1 VAL A 117 9.701 9.777 52.043 1.00 0.00 C +ATOM 1922 CG2 VAL A 117 8.136 11.351 53.192 1.00 0.00 C +ATOM 1923 H VAL A 117 6.764 12.409 50.405 1.00 0.00 H +ATOM 1924 HA VAL A 117 9.675 12.264 51.073 1.00 0.00 H +ATOM 1925 HB VAL A 117 7.636 10.074 51.541 1.00 0.00 H +ATOM 1926 HG11 VAL A 117 10.063 9.864 53.057 1.00 0.00 H +ATOM 1927 HG12 VAL A 117 10.476 10.085 51.357 1.00 0.00 H +ATOM 1928 HG13 VAL A 117 9.431 8.751 51.845 1.00 0.00 H +ATOM 1929 HG21 VAL A 117 7.158 11.033 53.520 1.00 0.00 H +ATOM 1930 HG22 VAL A 117 8.142 12.423 53.060 1.00 0.00 H +ATOM 1931 HG23 VAL A 117 8.872 11.076 53.933 1.00 0.00 H +ATOM 1932 N LYS A 118 10.152 11.077 48.925 1.00 0.00 N +ATOM 1933 CA LYS A 118 10.396 10.440 47.599 1.00 0.00 C +ATOM 1934 C LYS A 118 10.657 8.945 47.791 1.00 0.00 C +ATOM 1935 O LYS A 118 11.369 8.539 48.688 1.00 0.00 O +ATOM 1936 CB LYS A 118 11.615 11.089 46.940 1.00 0.00 C +ATOM 1937 CG LYS A 118 11.467 12.612 46.984 1.00 0.00 C +ATOM 1938 CD LYS A 118 12.647 13.261 46.257 1.00 0.00 C +ATOM 1939 CE LYS A 118 12.410 14.768 46.142 1.00 0.00 C +ATOM 1940 NZ LYS A 118 13.497 15.498 46.854 1.00 0.00 N +ATOM 1941 H LYS A 118 10.892 11.502 49.408 1.00 0.00 H +ATOM 1942 HA LYS A 118 9.531 10.576 46.969 1.00 0.00 H +ATOM 1943 HB2 LYS A 118 12.509 10.799 47.471 1.00 0.00 H +ATOM 1944 HB3 LYS A 118 11.684 10.764 45.912 1.00 0.00 H +ATOM 1945 HG2 LYS A 118 10.545 12.898 46.501 1.00 0.00 H +ATOM 1946 HG3 LYS A 118 11.452 12.942 48.012 1.00 0.00 H +ATOM 1947 HD2 LYS A 118 13.555 13.080 46.813 1.00 0.00 H +ATOM 1948 HD3 LYS A 118 12.739 12.835 45.269 1.00 0.00 H +ATOM 1949 HE2 LYS A 118 12.406 15.054 45.101 1.00 0.00 H +ATOM 1950 HE3 LYS A 118 11.458 15.017 46.588 1.00 0.00 H +ATOM 1951 HZ1 LYS A 118 14.250 15.741 46.181 1.00 0.00 H +ATOM 1952 HZ2 LYS A 118 13.885 14.892 47.606 1.00 0.00 H +ATOM 1953 HZ3 LYS A 118 13.114 16.369 47.273 1.00 0.00 H +ATOM 1954 N VAL A 119 10.084 8.122 46.956 1.00 0.00 N +ATOM 1955 CA VAL A 119 10.299 6.654 47.090 1.00 0.00 C +ATOM 1956 C VAL A 119 11.203 6.166 45.956 1.00 0.00 C +ATOM 1957 O VAL A 119 11.077 6.589 44.824 1.00 0.00 O +ATOM 1958 CB VAL A 119 8.953 5.932 47.016 1.00 0.00 C +ATOM 1959 CG1 VAL A 119 9.178 4.422 47.130 1.00 0.00 C +ATOM 1960 CG2 VAL A 119 8.057 6.402 48.163 1.00 0.00 C +ATOM 1961 H VAL A 119 9.513 8.470 46.239 1.00 0.00 H +ATOM 1962 HA VAL A 119 10.768 6.444 48.040 1.00 0.00 H +ATOM 1963 HB VAL A 119 8.476 6.153 46.072 1.00 0.00 H +ATOM 1964 HG11 VAL A 119 8.454 3.903 46.520 1.00 0.00 H +ATOM 1965 HG12 VAL A 119 9.064 4.118 48.160 1.00 0.00 H +ATOM 1966 HG13 VAL A 119 10.174 4.179 46.791 1.00 0.00 H +ATOM 1967 HG21 VAL A 119 8.267 5.817 49.047 1.00 0.00 H +ATOM 1968 HG22 VAL A 119 7.021 6.275 47.886 1.00 0.00 H +ATOM 1969 HG23 VAL A 119 8.250 7.445 48.367 1.00 0.00 H +ATOM 1970 N GLU A 120 12.114 5.280 46.251 1.00 0.00 N +ATOM 1971 CA GLU A 120 13.025 4.766 45.190 1.00 0.00 C +ATOM 1972 C GLU A 120 13.443 3.334 45.527 1.00 0.00 C +ATOM 1973 O GLU A 120 13.184 2.842 46.607 1.00 0.00 O +ATOM 1974 CB GLU A 120 14.267 5.657 45.111 1.00 0.00 C +ATOM 1975 CG GLU A 120 13.852 7.078 44.726 1.00 0.00 C +ATOM 1976 CD GLU A 120 15.100 7.943 44.542 1.00 0.00 C +ATOM 1977 OE1 GLU A 120 16.179 7.465 44.851 1.00 0.00 O +ATOM 1978 OE2 GLU A 120 14.956 9.070 44.096 1.00 0.00 O +ATOM 1979 H GLU A 120 12.200 4.953 47.171 1.00 0.00 H +ATOM 1980 HA GLU A 120 12.513 4.777 44.239 1.00 0.00 H +ATOM 1981 HB2 GLU A 120 14.760 5.673 46.072 1.00 0.00 H +ATOM 1982 HB3 GLU A 120 14.944 5.265 44.366 1.00 0.00 H +ATOM 1983 HG2 GLU A 120 13.293 7.052 43.802 1.00 0.00 H +ATOM 1984 HG3 GLU A 120 13.235 7.498 45.507 1.00 0.00 H +ATOM 1985 N LEU A 121 14.087 2.663 44.611 1.00 0.00 N +ATOM 1986 CA LEU A 121 14.523 1.262 44.878 1.00 0.00 C +ATOM 1987 C LEU A 121 13.339 0.310 44.687 1.00 0.00 C +ATOM 1988 O LEU A 121 12.195 0.719 44.693 1.00 0.00 O +ATOM 1989 CB LEU A 121 15.044 1.151 46.313 1.00 0.00 C +ATOM 1990 CG LEU A 121 16.402 0.446 46.311 1.00 0.00 C +ATOM 1991 CD1 LEU A 121 17.509 1.473 46.063 1.00 0.00 C +ATOM 1992 CD2 LEU A 121 16.628 -0.231 47.664 1.00 0.00 C +ATOM 1993 H LEU A 121 14.284 3.080 43.747 1.00 0.00 H +ATOM 1994 HA LEU A 121 15.312 0.996 44.190 1.00 0.00 H +ATOM 1995 HB2 LEU A 121 15.153 2.140 46.733 1.00 0.00 H +ATOM 1996 HB3 LEU A 121 14.344 0.583 46.907 1.00 0.00 H +ATOM 1997 HG LEU A 121 16.420 -0.298 45.528 1.00 0.00 H +ATOM 1998 HD11 LEU A 121 18.437 1.110 46.481 1.00 0.00 H +ATOM 1999 HD12 LEU A 121 17.244 2.408 46.534 1.00 0.00 H +ATOM 2000 HD13 LEU A 121 17.628 1.626 45.001 1.00 0.00 H +ATOM 2001 HD21 LEU A 121 17.269 -1.091 47.534 1.00 0.00 H +ATOM 2002 HD22 LEU A 121 15.679 -0.549 48.071 1.00 0.00 H +ATOM 2003 HD23 LEU A 121 17.095 0.467 48.343 1.00 0.00 H +ATOM 2004 N GLY A 122 13.607 -0.955 44.515 1.00 0.00 N +ATOM 2005 CA GLY A 122 12.502 -1.938 44.320 1.00 0.00 C +ATOM 2006 C GLY A 122 11.460 -1.356 43.362 1.00 0.00 C +ATOM 2007 O GLY A 122 10.285 -1.650 43.455 1.00 0.00 O +ATOM 2008 H GLY A 122 14.538 -1.261 44.512 1.00 0.00 H +ATOM 2009 HA2 GLY A 122 12.902 -2.851 43.904 1.00 0.00 H +ATOM 2010 HA3 GLY A 122 12.038 -2.149 45.271 1.00 0.00 H +ATOM 2011 N PHE A 123 11.882 -0.537 42.439 1.00 0.00 N +ATOM 2012 CA PHE A 123 10.919 0.057 41.470 1.00 0.00 C +ATOM 2013 C PHE A 123 11.173 -0.535 40.082 1.00 0.00 C +ATOM 2014 O PHE A 123 12.271 -0.471 39.564 1.00 0.00 O +ATOM 2015 CB PHE A 123 11.116 1.574 41.424 1.00 0.00 C +ATOM 2016 CG PHE A 123 12.476 1.887 40.850 1.00 0.00 C +ATOM 2017 CD1 PHE A 123 13.603 1.878 41.681 1.00 0.00 C +ATOM 2018 CD2 PHE A 123 12.612 2.185 39.489 1.00 0.00 C +ATOM 2019 CE1 PHE A 123 14.866 2.166 41.150 1.00 0.00 C +ATOM 2020 CE2 PHE A 123 13.875 2.473 38.958 1.00 0.00 C +ATOM 2021 CZ PHE A 123 15.002 2.464 39.788 1.00 0.00 C +ATOM 2022 H PHE A 123 12.836 -0.317 42.379 1.00 0.00 H +ATOM 2023 HA PHE A 123 9.909 -0.168 41.779 1.00 0.00 H +ATOM 2024 HB2 PHE A 123 10.350 2.020 40.805 1.00 0.00 H +ATOM 2025 HB3 PHE A 123 11.049 1.975 42.424 1.00 0.00 H +ATOM 2026 HD1 PHE A 123 13.497 1.648 42.731 1.00 0.00 H +ATOM 2027 HD2 PHE A 123 11.742 2.192 38.849 1.00 0.00 H +ATOM 2028 HE1 PHE A 123 15.735 2.159 41.791 1.00 0.00 H +ATOM 2029 HE2 PHE A 123 13.980 2.702 37.908 1.00 0.00 H +ATOM 2030 HZ PHE A 123 15.977 2.686 39.379 1.00 0.00 H +ATOM 2031 N LYS A 124 10.174 -1.115 39.474 1.00 0.00 N +ATOM 2032 CA LYS A 124 10.379 -1.710 38.123 1.00 0.00 C +ATOM 2033 C LYS A 124 9.073 -1.660 37.326 1.00 0.00 C +ATOM 2034 O LYS A 124 7.994 -1.589 37.882 1.00 0.00 O +ATOM 2035 CB LYS A 124 10.828 -3.165 38.271 1.00 0.00 C +ATOM 2036 CG LYS A 124 12.095 -3.224 39.126 1.00 0.00 C +ATOM 2037 CD LYS A 124 12.802 -4.563 38.896 1.00 0.00 C +ATOM 2038 CE LYS A 124 14.038 -4.647 39.793 1.00 0.00 C +ATOM 2039 NZ LYS A 124 15.142 -5.324 39.054 1.00 0.00 N +ATOM 2040 H LYS A 124 9.296 -1.162 39.905 1.00 0.00 H +ATOM 2041 HA LYS A 124 11.139 -1.154 37.599 1.00 0.00 H +ATOM 2042 HB2 LYS A 124 10.046 -3.734 38.747 1.00 0.00 H +ATOM 2043 HB3 LYS A 124 11.031 -3.580 37.295 1.00 0.00 H +ATOM 2044 HG2 LYS A 124 12.754 -2.417 38.847 1.00 0.00 H +ATOM 2045 HG3 LYS A 124 11.831 -3.132 40.169 1.00 0.00 H +ATOM 2046 HD2 LYS A 124 12.128 -5.371 39.135 1.00 0.00 H +ATOM 2047 HD3 LYS A 124 13.102 -4.638 37.861 1.00 0.00 H +ATOM 2048 HE2 LYS A 124 14.351 -3.652 40.071 1.00 0.00 H +ATOM 2049 HE3 LYS A 124 13.800 -5.212 40.682 1.00 0.00 H +ATOM 2050 HZ1 LYS A 124 14.742 -6.012 38.385 1.00 0.00 H +ATOM 2051 HZ2 LYS A 124 15.760 -5.817 39.731 1.00 0.00 H +ATOM 2052 HZ3 LYS A 124 15.695 -4.616 38.531 1.00 0.00 H +ATOM 2053 N VAL A 125 9.166 -1.699 36.024 1.00 0.00 N +ATOM 2054 CA VAL A 125 7.936 -1.656 35.185 1.00 0.00 C +ATOM 2055 C VAL A 125 7.077 -2.889 35.472 1.00 0.00 C +ATOM 2056 O VAL A 125 7.582 -3.968 35.709 1.00 0.00 O +ATOM 2057 CB VAL A 125 8.326 -1.639 33.705 1.00 0.00 C +ATOM 2058 CG1 VAL A 125 9.023 -2.953 33.346 1.00 0.00 C +ATOM 2059 CG2 VAL A 125 7.070 -1.479 32.848 1.00 0.00 C +ATOM 2060 H VAL A 125 10.048 -1.761 35.601 1.00 0.00 H +ATOM 2061 HA VAL A 125 7.372 -0.765 35.418 1.00 0.00 H +ATOM 2062 HB VAL A 125 8.997 -0.813 33.519 1.00 0.00 H +ATOM 2063 HG11 VAL A 125 9.293 -3.477 34.251 1.00 0.00 H +ATOM 2064 HG12 VAL A 125 9.913 -2.742 32.772 1.00 0.00 H +ATOM 2065 HG13 VAL A 125 8.354 -3.567 32.761 1.00 0.00 H +ATOM 2066 HG21 VAL A 125 7.261 -0.768 32.057 1.00 0.00 H +ATOM 2067 HG22 VAL A 125 6.256 -1.122 33.463 1.00 0.00 H +ATOM 2068 HG23 VAL A 125 6.803 -2.433 32.416 1.00 0.00 H +ATOM 2069 N GLY A 126 5.782 -2.736 35.455 1.00 0.00 N +ATOM 2070 CA GLY A 126 4.888 -3.897 35.730 1.00 0.00 C +ATOM 2071 C GLY A 126 4.714 -4.056 37.242 1.00 0.00 C +ATOM 2072 O GLY A 126 3.680 -4.482 37.716 1.00 0.00 O +ATOM 2073 H GLY A 126 5.398 -1.857 35.263 1.00 0.00 H +ATOM 2074 HA2 GLY A 126 3.924 -3.726 35.273 1.00 0.00 H +ATOM 2075 HA3 GLY A 126 5.327 -4.794 35.320 1.00 0.00 H +ATOM 2076 N ASP A 127 5.721 -3.719 38.001 1.00 0.00 N +ATOM 2077 CA ASP A 127 5.615 -3.854 39.480 1.00 0.00 C +ATOM 2078 C ASP A 127 4.305 -3.223 39.948 1.00 0.00 C +ATOM 2079 O ASP A 127 3.682 -2.464 39.232 1.00 0.00 O +ATOM 2080 CB ASP A 127 6.793 -3.140 40.144 1.00 0.00 C +ATOM 2081 CG ASP A 127 8.038 -4.027 40.065 1.00 0.00 C +ATOM 2082 OD1 ASP A 127 8.105 -4.840 39.156 1.00 0.00 O +ATOM 2083 OD2 ASP A 127 8.901 -3.879 40.914 1.00 0.00 O +ATOM 2084 H ASP A 127 6.545 -3.381 37.596 1.00 0.00 H +ATOM 2085 HA ASP A 127 5.627 -4.900 39.749 1.00 0.00 H +ATOM 2086 HB2 ASP A 127 6.983 -2.208 39.633 1.00 0.00 H +ATOM 2087 HB3 ASP A 127 6.557 -2.942 41.179 1.00 0.00 H +ATOM 2088 N MET A 128 3.883 -3.521 41.145 1.00 0.00 N +ATOM 2089 CA MET A 128 2.616 -2.926 41.650 1.00 0.00 C +ATOM 2090 C MET A 128 2.943 -1.683 42.477 1.00 0.00 C +ATOM 2091 O MET A 128 3.732 -1.731 43.399 1.00 0.00 O +ATOM 2092 CB MET A 128 1.887 -3.945 42.527 1.00 0.00 C +ATOM 2093 CG MET A 128 0.409 -3.985 42.137 1.00 0.00 C +ATOM 2094 SD MET A 128 -0.486 -5.074 43.273 1.00 0.00 S +ATOM 2095 CE MET A 128 -0.654 -6.482 42.148 1.00 0.00 C +ATOM 2096 H MET A 128 4.397 -4.129 41.716 1.00 0.00 H +ATOM 2097 HA MET A 128 1.988 -2.650 40.816 1.00 0.00 H +ATOM 2098 HB2 MET A 128 2.324 -4.922 42.384 1.00 0.00 H +ATOM 2099 HB3 MET A 128 1.978 -3.658 43.564 1.00 0.00 H +ATOM 2100 HG2 MET A 128 -0.005 -2.989 42.195 1.00 0.00 H +ATOM 2101 HG3 MET A 128 0.312 -4.358 41.129 1.00 0.00 H +ATOM 2102 HE1 MET A 128 -0.662 -6.129 41.127 1.00 0.00 H +ATOM 2103 HE2 MET A 128 -1.576 -7.001 42.354 1.00 0.00 H +ATOM 2104 HE3 MET A 128 0.177 -7.160 42.294 1.00 0.00 H +ATOM 2105 N VAL A 129 2.346 -0.570 42.157 1.00 0.00 N +ATOM 2106 CA VAL A 129 2.629 0.670 42.928 1.00 0.00 C +ATOM 2107 C VAL A 129 1.316 1.238 43.467 1.00 0.00 C +ATOM 2108 O VAL A 129 0.298 1.209 42.807 1.00 0.00 O +ATOM 2109 CB VAL A 129 3.298 1.698 42.011 1.00 0.00 C +ATOM 2110 CG1 VAL A 129 2.250 2.325 41.089 1.00 0.00 C +ATOM 2111 CG2 VAL A 129 3.949 2.793 42.857 1.00 0.00 C +ATOM 2112 H VAL A 129 1.710 -0.549 41.411 1.00 0.00 H +ATOM 2113 HA VAL A 129 3.287 0.439 43.752 1.00 0.00 H +ATOM 2114 HB VAL A 129 4.054 1.209 41.414 1.00 0.00 H +ATOM 2115 HG11 VAL A 129 1.436 2.715 41.682 1.00 0.00 H +ATOM 2116 HG12 VAL A 129 1.873 1.575 40.410 1.00 0.00 H +ATOM 2117 HG13 VAL A 129 2.701 3.128 40.525 1.00 0.00 H +ATOM 2118 HG21 VAL A 129 4.393 3.534 42.208 1.00 0.00 H +ATOM 2119 HG22 VAL A 129 4.714 2.358 43.483 1.00 0.00 H +ATOM 2120 HG23 VAL A 129 3.199 3.262 43.478 1.00 0.00 H +ATOM 2121 N LYS A 130 1.330 1.761 44.661 1.00 0.00 N +ATOM 2122 CA LYS A 130 0.082 2.334 45.233 1.00 0.00 C +ATOM 2123 C LYS A 130 0.194 3.857 45.248 1.00 0.00 C +ATOM 2124 O LYS A 130 1.250 4.407 45.491 1.00 0.00 O +ATOM 2125 CB LYS A 130 -0.108 1.820 46.662 1.00 0.00 C +ATOM 2126 CG LYS A 130 -1.312 2.519 47.299 1.00 0.00 C +ATOM 2127 CD LYS A 130 -1.606 1.887 48.662 1.00 0.00 C +ATOM 2128 CE LYS A 130 -0.713 2.530 49.725 1.00 0.00 C +ATOM 2129 NZ LYS A 130 -1.499 3.542 50.486 1.00 0.00 N +ATOM 2130 H LYS A 130 2.161 1.780 45.180 1.00 0.00 H +ATOM 2131 HA LYS A 130 -0.762 2.039 44.627 1.00 0.00 H +ATOM 2132 HB2 LYS A 130 -0.279 0.754 46.643 1.00 0.00 H +ATOM 2133 HB3 LYS A 130 0.778 2.032 47.242 1.00 0.00 H +ATOM 2134 HG2 LYS A 130 -1.092 3.568 47.429 1.00 0.00 H +ATOM 2135 HG3 LYS A 130 -2.174 2.408 46.658 1.00 0.00 H +ATOM 2136 HD2 LYS A 130 -2.643 2.048 48.917 1.00 0.00 H +ATOM 2137 HD3 LYS A 130 -1.407 0.826 48.618 1.00 0.00 H +ATOM 2138 HE2 LYS A 130 -0.355 1.769 50.403 1.00 0.00 H +ATOM 2139 HE3 LYS A 130 0.127 3.012 49.246 1.00 0.00 H +ATOM 2140 HZ1 LYS A 130 -2.501 3.264 50.500 1.00 0.00 H +ATOM 2141 HZ2 LYS A 130 -1.402 4.471 50.028 1.00 0.00 H +ATOM 2142 HZ3 LYS A 130 -1.143 3.596 51.461 1.00 0.00 H +ATOM 2143 N ILE A 131 -0.883 4.547 44.997 1.00 0.00 N +ATOM 2144 CA ILE A 131 -0.827 6.033 45.007 1.00 0.00 C +ATOM 2145 C ILE A 131 -0.985 6.522 46.446 1.00 0.00 C +ATOM 2146 O ILE A 131 -1.602 5.872 47.266 1.00 0.00 O +ATOM 2147 CB ILE A 131 -1.959 6.595 44.145 1.00 0.00 C +ATOM 2148 CG1 ILE A 131 -1.755 6.166 42.690 1.00 0.00 C +ATOM 2149 CG2 ILE A 131 -1.957 8.122 44.230 1.00 0.00 C +ATOM 2150 CD1 ILE A 131 -3.010 6.498 41.880 1.00 0.00 C +ATOM 2151 H ILE A 131 -1.731 4.091 44.812 1.00 0.00 H +ATOM 2152 HA ILE A 131 0.125 6.362 44.616 1.00 0.00 H +ATOM 2153 HB ILE A 131 -2.905 6.216 44.502 1.00 0.00 H +ATOM 2154 HG12 ILE A 131 -0.909 6.693 42.275 1.00 0.00 H +ATOM 2155 HG13 ILE A 131 -1.572 5.103 42.650 1.00 0.00 H +ATOM 2156 HG21 ILE A 131 -2.676 8.442 44.969 1.00 0.00 H +ATOM 2157 HG22 ILE A 131 -2.222 8.537 43.267 1.00 0.00 H +ATOM 2158 HG23 ILE A 131 -0.973 8.466 44.511 1.00 0.00 H +ATOM 2159 HD11 ILE A 131 -2.747 7.147 41.058 1.00 0.00 H +ATOM 2160 HD12 ILE A 131 -3.727 6.996 42.516 1.00 0.00 H +ATOM 2161 HD13 ILE A 131 -3.442 5.586 41.496 1.00 0.00 H +ATOM 2162 N ILE A 132 -0.443 7.663 46.763 1.00 0.00 N +ATOM 2163 CA ILE A 132 -0.575 8.182 48.151 1.00 0.00 C +ATOM 2164 C ILE A 132 -0.547 9.711 48.132 1.00 0.00 C +ATOM 2165 O ILE A 132 -0.596 10.353 49.163 1.00 0.00 O +ATOM 2166 CB ILE A 132 0.582 7.658 49.003 1.00 0.00 C +ATOM 2167 CG1 ILE A 132 1.887 8.326 48.563 1.00 0.00 C +ATOM 2168 CG2 ILE A 132 0.701 6.142 48.824 1.00 0.00 C +ATOM 2169 CD1 ILE A 132 3.011 7.930 49.523 1.00 0.00 C +ATOM 2170 H ILE A 132 0.042 8.186 46.092 1.00 0.00 H +ATOM 2171 HA ILE A 132 -1.511 7.845 48.573 1.00 0.00 H +ATOM 2172 HB ILE A 132 0.396 7.884 50.043 1.00 0.00 H +ATOM 2173 HG12 ILE A 132 2.137 8.004 47.563 1.00 0.00 H +ATOM 2174 HG13 ILE A 132 1.764 9.399 48.576 1.00 0.00 H +ATOM 2175 HG21 ILE A 132 1.504 5.768 49.442 1.00 0.00 H +ATOM 2176 HG22 ILE A 132 0.910 5.918 47.789 1.00 0.00 H +ATOM 2177 HG23 ILE A 132 -0.226 5.672 49.115 1.00 0.00 H +ATOM 2178 HD11 ILE A 132 2.778 6.977 49.976 1.00 0.00 H +ATOM 2179 HD12 ILE A 132 3.109 8.681 50.293 1.00 0.00 H +ATOM 2180 HD13 ILE A 132 3.939 7.852 48.977 1.00 0.00 H +ATOM 2181 N SER A 133 -0.465 10.303 46.971 1.00 0.00 N +ATOM 2182 CA SER A 133 -0.431 11.789 46.896 1.00 0.00 C +ATOM 2183 C SER A 133 -1.165 12.258 45.638 1.00 0.00 C +ATOM 2184 O SER A 133 -1.068 11.656 44.587 1.00 0.00 O +ATOM 2185 CB SER A 133 1.022 12.262 46.843 1.00 0.00 C +ATOM 2186 OG SER A 133 1.803 11.496 47.749 1.00 0.00 O +ATOM 2187 H SER A 133 -0.423 9.775 46.148 1.00 0.00 H +ATOM 2188 HA SER A 133 -0.911 12.205 47.769 1.00 0.00 H +ATOM 2189 HB2 SER A 133 1.404 12.136 45.842 1.00 0.00 H +ATOM 2190 HB3 SER A 133 1.071 13.305 47.118 1.00 0.00 H +ATOM 2191 HG SER A 133 2.464 12.075 48.132 1.00 0.00 H +ATOM 2192 N GLY A 134 -1.892 13.334 45.741 1.00 0.00 N +ATOM 2193 CA GLY A 134 -2.627 13.854 44.554 1.00 0.00 C +ATOM 2194 C GLY A 134 -4.129 13.596 44.712 1.00 0.00 C +ATOM 2195 O GLY A 134 -4.598 13.199 45.761 1.00 0.00 O +ATOM 2196 H GLY A 134 -1.941 13.801 46.601 1.00 0.00 H +ATOM 2197 HA2 GLY A 134 -2.455 14.916 44.462 1.00 0.00 H +ATOM 2198 HA3 GLY A 134 -2.269 13.356 43.664 1.00 0.00 H +ATOM 2199 N PRO A 135 -4.891 13.838 43.636 1.00 0.00 N +ATOM 2200 CA PRO A 135 -6.350 13.651 43.620 1.00 0.00 C +ATOM 2201 C PRO A 135 -6.755 12.174 43.699 1.00 0.00 C +ATOM 2202 O PRO A 135 -7.878 11.851 44.030 1.00 0.00 O +ATOM 2203 CB PRO A 135 -6.771 14.234 42.271 1.00 0.00 C +ATOM 2204 CG PRO A 135 -5.554 14.121 41.418 1.00 0.00 C +ATOM 2205 CD PRO A 135 -4.383 14.316 42.338 1.00 0.00 C +ATOM 2206 HA PRO A 135 -6.841 14.202 44.407 1.00 0.00 H +ATOM 2207 HB2 PRO A 135 -7.593 13.660 41.869 1.00 0.00 H +ATOM 2208 HB3 PRO A 135 -7.075 15.262 42.399 1.00 0.00 H +ATOM 2209 HG2 PRO A 135 -5.520 13.145 40.958 1.00 0.00 H +ATOM 2210 HG3 PRO A 135 -5.572 14.884 40.655 1.00 0.00 H +ATOM 2211 HD2 PRO A 135 -3.539 13.731 42.004 1.00 0.00 H +ATOM 2212 HD3 PRO A 135 -4.105 15.358 42.380 1.00 0.00 H +ATOM 2213 N PHE A 136 -5.858 11.274 43.399 1.00 0.00 N +ATOM 2214 CA PHE A 136 -6.214 9.827 43.463 1.00 0.00 C +ATOM 2215 C PHE A 136 -5.534 9.185 44.675 1.00 0.00 C +ATOM 2216 O PHE A 136 -5.441 7.980 44.779 1.00 0.00 O +ATOM 2217 CB PHE A 136 -5.740 9.128 42.188 1.00 0.00 C +ATOM 2218 CG PHE A 136 -6.498 9.675 41.002 1.00 0.00 C +ATOM 2219 CD1 PHE A 136 -7.737 9.127 40.650 1.00 0.00 C +ATOM 2220 CD2 PHE A 136 -5.961 10.729 40.253 1.00 0.00 C +ATOM 2221 CE1 PHE A 136 -8.439 9.634 39.550 1.00 0.00 C +ATOM 2222 CE2 PHE A 136 -6.663 11.236 39.153 1.00 0.00 C +ATOM 2223 CZ PHE A 136 -7.903 10.688 38.801 1.00 0.00 C +ATOM 2224 H PHE A 136 -4.951 11.541 43.142 1.00 0.00 H +ATOM 2225 HA PHE A 136 -7.286 9.722 43.555 1.00 0.00 H +ATOM 2226 HB2 PHE A 136 -4.684 9.305 42.051 1.00 0.00 H +ATOM 2227 HB3 PHE A 136 -5.920 8.067 42.270 1.00 0.00 H +ATOM 2228 HD1 PHE A 136 -8.151 8.314 41.227 1.00 0.00 H +ATOM 2229 HD2 PHE A 136 -5.005 11.152 40.525 1.00 0.00 H +ATOM 2230 HE1 PHE A 136 -9.395 9.211 39.278 1.00 0.00 H +ATOM 2231 HE2 PHE A 136 -6.248 12.049 38.576 1.00 0.00 H +ATOM 2232 HZ PHE A 136 -8.445 11.078 37.952 1.00 0.00 H +ATOM 2233 N GLU A 137 -5.052 9.985 45.585 1.00 0.00 N +ATOM 2234 CA GLU A 137 -4.371 9.428 46.789 1.00 0.00 C +ATOM 2235 C GLU A 137 -5.095 8.165 47.268 1.00 0.00 C +ATOM 2236 O GLU A 137 -6.307 8.085 47.245 1.00 0.00 O +ATOM 2237 CB GLU A 137 -4.394 10.469 47.909 1.00 0.00 C +ATOM 2238 CG GLU A 137 -3.280 11.490 47.681 1.00 0.00 C +ATOM 2239 CD GLU A 137 -3.681 12.831 48.299 1.00 0.00 C +ATOM 2240 OE1 GLU A 137 -4.658 12.855 49.030 1.00 0.00 O +ATOM 2241 OE2 GLU A 137 -3.005 13.810 48.029 1.00 0.00 O +ATOM 2242 H GLU A 137 -5.134 10.956 45.475 1.00 0.00 H +ATOM 2243 HA GLU A 137 -3.347 9.187 46.546 1.00 0.00 H +ATOM 2244 HB2 GLU A 137 -5.348 10.974 47.911 1.00 0.00 H +ATOM 2245 HB3 GLU A 137 -4.244 9.979 48.860 1.00 0.00 H +ATOM 2246 HG2 GLU A 137 -2.371 11.138 48.144 1.00 0.00 H +ATOM 2247 HG3 GLU A 137 -3.120 11.615 46.621 1.00 0.00 H +ATOM 2248 N ASP A 138 -4.358 7.186 47.721 1.00 0.00 N +ATOM 2249 CA ASP A 138 -4.997 5.935 48.225 1.00 0.00 C +ATOM 2250 C ASP A 138 -5.470 5.060 47.060 1.00 0.00 C +ATOM 2251 O ASP A 138 -6.317 4.205 47.230 1.00 0.00 O +ATOM 2252 CB ASP A 138 -6.198 6.296 49.104 1.00 0.00 C +ATOM 2253 CG ASP A 138 -5.919 7.604 49.847 1.00 0.00 C +ATOM 2254 OD1 ASP A 138 -4.756 7.944 49.991 1.00 0.00 O +ATOM 2255 OD2 ASP A 138 -6.872 8.244 50.257 1.00 0.00 O +ATOM 2256 H ASP A 138 -3.382 7.279 47.747 1.00 0.00 H +ATOM 2257 HA ASP A 138 -4.280 5.384 48.815 1.00 0.00 H +ATOM 2258 HB2 ASP A 138 -7.074 6.414 48.484 1.00 0.00 H +ATOM 2259 HB3 ASP A 138 -6.368 5.505 49.820 1.00 0.00 H +ATOM 2260 N PHE A 139 -4.941 5.253 45.882 1.00 0.00 N +ATOM 2261 CA PHE A 139 -5.382 4.413 44.730 1.00 0.00 C +ATOM 2262 C PHE A 139 -4.268 3.435 44.351 1.00 0.00 C +ATOM 2263 O PHE A 139 -3.124 3.811 44.197 1.00 0.00 O +ATOM 2264 CB PHE A 139 -5.699 5.312 43.533 1.00 0.00 C +ATOM 2265 CG PHE A 139 -6.751 4.654 42.672 1.00 0.00 C +ATOM 2266 CD1 PHE A 139 -6.533 3.369 42.161 1.00 0.00 C +ATOM 2267 CD2 PHE A 139 -7.943 5.329 42.386 1.00 0.00 C +ATOM 2268 CE1 PHE A 139 -7.508 2.760 41.362 1.00 0.00 C +ATOM 2269 CE2 PHE A 139 -8.919 4.719 41.588 1.00 0.00 C +ATOM 2270 CZ PHE A 139 -8.701 3.435 41.076 1.00 0.00 C +ATOM 2271 H PHE A 139 -4.259 5.944 45.749 1.00 0.00 H +ATOM 2272 HA PHE A 139 -6.268 3.859 45.009 1.00 0.00 H +ATOM 2273 HB2 PHE A 139 -6.068 6.263 43.885 1.00 0.00 H +ATOM 2274 HB3 PHE A 139 -4.803 5.465 42.951 1.00 0.00 H +ATOM 2275 HD1 PHE A 139 -5.613 2.848 42.382 1.00 0.00 H +ATOM 2276 HD2 PHE A 139 -8.110 6.320 42.782 1.00 0.00 H +ATOM 2277 HE1 PHE A 139 -7.340 1.769 40.967 1.00 0.00 H +ATOM 2278 HE2 PHE A 139 -9.839 5.240 41.368 1.00 0.00 H +ATOM 2279 HZ PHE A 139 -9.453 2.965 40.460 1.00 0.00 H +ATOM 2280 N ALA A 140 -4.593 2.179 44.198 1.00 0.00 N +ATOM 2281 CA ALA A 140 -3.552 1.176 43.828 1.00 0.00 C +ATOM 2282 C ALA A 140 -3.373 1.162 42.307 1.00 0.00 C +ATOM 2283 O ALA A 140 -4.331 1.151 41.560 1.00 0.00 O +ATOM 2284 CB ALA A 140 -3.988 -0.211 44.301 1.00 0.00 C +ATOM 2285 H ALA A 140 -5.522 1.895 44.325 1.00 0.00 H +ATOM 2286 HA ALA A 140 -2.616 1.439 44.298 1.00 0.00 H +ATOM 2287 HB1 ALA A 140 -3.210 -0.928 44.085 1.00 0.00 H +ATOM 2288 HB2 ALA A 140 -4.894 -0.499 43.788 1.00 0.00 H +ATOM 2289 HB3 ALA A 140 -4.170 -0.188 45.366 1.00 0.00 H +ATOM 2290 N GLY A 141 -2.152 1.166 41.843 1.00 0.00 N +ATOM 2291 CA GLY A 141 -1.919 1.157 40.371 1.00 0.00 C +ATOM 2292 C GLY A 141 -0.690 0.310 40.034 1.00 0.00 C +ATOM 2293 O GLY A 141 0.080 -0.065 40.896 1.00 0.00 O +ATOM 2294 H GLY A 141 -1.395 1.180 42.465 1.00 0.00 H +ATOM 2295 HA2 GLY A 141 -2.786 0.746 39.874 1.00 0.00 H +ATOM 2296 HA3 GLY A 141 -1.760 2.170 40.029 1.00 0.00 H +ATOM 2297 N VAL A 142 -0.504 0.010 38.777 1.00 0.00 N +ATOM 2298 CA VAL A 142 0.673 -0.808 38.365 1.00 0.00 C +ATOM 2299 C VAL A 142 1.667 0.081 37.617 1.00 0.00 C +ATOM 2300 O VAL A 142 1.292 0.877 36.779 1.00 0.00 O +ATOM 2301 CB VAL A 142 0.212 -1.940 37.446 1.00 0.00 C +ATOM 2302 CG1 VAL A 142 1.401 -2.847 37.117 1.00 0.00 C +ATOM 2303 CG2 VAL A 142 -0.873 -2.759 38.149 1.00 0.00 C +ATOM 2304 H VAL A 142 -1.142 0.329 38.105 1.00 0.00 H +ATOM 2305 HA VAL A 142 1.151 -1.225 39.238 1.00 0.00 H +ATOM 2306 HB VAL A 142 -0.185 -1.524 36.534 1.00 0.00 H +ATOM 2307 HG11 VAL A 142 1.184 -3.414 36.224 1.00 0.00 H +ATOM 2308 HG12 VAL A 142 1.576 -3.524 37.940 1.00 0.00 H +ATOM 2309 HG13 VAL A 142 2.280 -2.241 36.955 1.00 0.00 H +ATOM 2310 HG21 VAL A 142 -0.715 -2.725 39.216 1.00 0.00 H +ATOM 2311 HG22 VAL A 142 -0.828 -3.783 37.811 1.00 0.00 H +ATOM 2312 HG23 VAL A 142 -1.843 -2.346 37.915 1.00 0.00 H +ATOM 2313 N ILE A 143 2.931 -0.048 37.909 1.00 0.00 N +ATOM 2314 CA ILE A 143 3.945 0.791 37.210 1.00 0.00 C +ATOM 2315 C ILE A 143 4.007 0.385 35.738 1.00 0.00 C +ATOM 2316 O ILE A 143 4.389 -0.720 35.409 1.00 0.00 O +ATOM 2317 CB ILE A 143 5.316 0.573 37.856 1.00 0.00 C +ATOM 2318 CG1 ILE A 143 5.278 1.039 39.313 1.00 0.00 C +ATOM 2319 CG2 ILE A 143 6.373 1.369 37.092 1.00 0.00 C +ATOM 2320 CD1 ILE A 143 4.608 2.412 39.393 1.00 0.00 C +ATOM 2321 H ILE A 143 3.216 -0.698 38.585 1.00 0.00 H +ATOM 2322 HA ILE A 143 3.670 1.832 37.288 1.00 0.00 H +ATOM 2323 HB ILE A 143 5.565 -0.478 37.822 1.00 0.00 H +ATOM 2324 HG12 ILE A 143 4.715 0.330 39.903 1.00 0.00 H +ATOM 2325 HG13 ILE A 143 6.285 1.108 39.696 1.00 0.00 H +ATOM 2326 HG21 ILE A 143 7.165 1.659 37.769 1.00 0.00 H +ATOM 2327 HG22 ILE A 143 5.922 2.253 36.667 1.00 0.00 H +ATOM 2328 HG23 ILE A 143 6.783 0.758 36.302 1.00 0.00 H +ATOM 2329 HD11 ILE A 143 4.649 2.774 40.409 1.00 0.00 H +ATOM 2330 HD12 ILE A 143 3.577 2.329 39.082 1.00 0.00 H +ATOM 2331 HD13 ILE A 143 5.125 3.103 38.744 1.00 0.00 H +ATOM 2332 N LYS A 144 3.635 1.262 34.847 1.00 0.00 N +ATOM 2333 CA LYS A 144 3.676 0.911 33.402 1.00 0.00 C +ATOM 2334 C LYS A 144 4.970 1.444 32.784 1.00 0.00 C +ATOM 2335 O LYS A 144 5.539 0.837 31.899 1.00 0.00 O +ATOM 2336 CB LYS A 144 2.475 1.538 32.691 1.00 0.00 C +ATOM 2337 CG LYS A 144 2.434 1.061 31.238 1.00 0.00 C +ATOM 2338 CD LYS A 144 1.226 1.682 30.532 1.00 0.00 C +ATOM 2339 CE LYS A 144 1.027 1.007 29.175 1.00 0.00 C +ATOM 2340 NZ LYS A 144 2.205 1.283 28.304 1.00 0.00 N +ATOM 2341 H LYS A 144 3.324 2.152 35.121 1.00 0.00 H +ATOM 2342 HA LYS A 144 3.639 -0.163 33.292 1.00 0.00 H +ATOM 2343 HB2 LYS A 144 1.565 1.244 33.193 1.00 0.00 H +ATOM 2344 HB3 LYS A 144 2.565 2.614 32.714 1.00 0.00 H +ATOM 2345 HG2 LYS A 144 3.340 1.363 30.734 1.00 0.00 H +ATOM 2346 HG3 LYS A 144 2.351 -0.015 31.216 1.00 0.00 H +ATOM 2347 HD2 LYS A 144 0.344 1.540 31.139 1.00 0.00 H +ATOM 2348 HD3 LYS A 144 1.398 2.738 30.387 1.00 0.00 H +ATOM 2349 HE2 LYS A 144 0.924 -0.060 29.314 1.00 0.00 H +ATOM 2350 HE3 LYS A 144 0.135 1.396 28.707 1.00 0.00 H +ATOM 2351 HZ1 LYS A 144 1.975 2.048 27.641 1.00 0.00 H +ATOM 2352 HZ2 LYS A 144 2.450 0.422 27.771 1.00 0.00 H +ATOM 2353 HZ3 LYS A 144 3.012 1.567 28.893 1.00 0.00 H +ATOM 2354 N GLU A 145 5.442 2.573 33.240 1.00 0.00 N +ATOM 2355 CA GLU A 145 6.700 3.132 32.670 1.00 0.00 C +ATOM 2356 C GLU A 145 7.413 3.977 33.729 1.00 0.00 C +ATOM 2357 O GLU A 145 6.786 4.610 34.556 1.00 0.00 O +ATOM 2358 CB GLU A 145 6.367 4.008 31.461 1.00 0.00 C +ATOM 2359 CG GLU A 145 5.637 3.169 30.409 1.00 0.00 C +ATOM 2360 CD GLU A 145 5.354 4.031 29.177 1.00 0.00 C +ATOM 2361 OE1 GLU A 145 5.582 5.228 29.249 1.00 0.00 O +ATOM 2362 OE2 GLU A 145 4.914 3.480 28.181 1.00 0.00 O +ATOM 2363 H GLU A 145 4.973 3.055 33.956 1.00 0.00 H +ATOM 2364 HA GLU A 145 7.346 2.323 32.361 1.00 0.00 H +ATOM 2365 HB2 GLU A 145 5.733 4.825 31.772 1.00 0.00 H +ATOM 2366 HB3 GLU A 145 7.280 4.401 31.038 1.00 0.00 H +ATOM 2367 HG2 GLU A 145 6.255 2.330 30.126 1.00 0.00 H +ATOM 2368 HG3 GLU A 145 4.705 2.810 30.818 1.00 0.00 H +ATOM 2369 N ILE A 146 8.718 3.991 33.710 1.00 0.00 N +ATOM 2370 CA ILE A 146 9.469 4.794 34.715 1.00 0.00 C +ATOM 2371 C ILE A 146 10.327 5.835 33.992 1.00 0.00 C +ATOM 2372 O ILE A 146 11.137 5.506 33.148 1.00 0.00 O +ATOM 2373 CB ILE A 146 10.374 3.872 35.535 1.00 0.00 C +ATOM 2374 CG1 ILE A 146 9.744 2.480 35.628 1.00 0.00 C +ATOM 2375 CG2 ILE A 146 10.546 4.447 36.942 1.00 0.00 C +ATOM 2376 CD1 ILE A 146 10.619 1.580 36.502 1.00 0.00 C +ATOM 2377 H ILE A 146 9.206 3.474 33.036 1.00 0.00 H +ATOM 2378 HA ILE A 146 8.772 5.295 35.372 1.00 0.00 H +ATOM 2379 HB ILE A 146 11.340 3.798 35.057 1.00 0.00 H +ATOM 2380 HG12 ILE A 146 8.759 2.559 36.064 1.00 0.00 H +ATOM 2381 HG13 ILE A 146 9.665 2.055 34.638 1.00 0.00 H +ATOM 2382 HG21 ILE A 146 11.592 4.431 37.213 1.00 0.00 H +ATOM 2383 HG22 ILE A 146 9.983 3.853 37.646 1.00 0.00 H +ATOM 2384 HG23 ILE A 146 10.186 5.466 36.961 1.00 0.00 H +ATOM 2385 HD11 ILE A 146 10.259 1.607 37.520 1.00 0.00 H +ATOM 2386 HD12 ILE A 146 11.639 1.931 36.471 1.00 0.00 H +ATOM 2387 HD13 ILE A 146 10.576 0.566 36.131 1.00 0.00 H +ATOM 2388 N ASP A 147 10.155 7.088 34.313 1.00 0.00 N +ATOM 2389 CA ASP A 147 10.962 8.145 33.640 1.00 0.00 C +ATOM 2390 C ASP A 147 12.007 8.693 34.614 1.00 0.00 C +ATOM 2391 O ASP A 147 11.717 9.541 35.436 1.00 0.00 O +ATOM 2392 CB ASP A 147 10.042 9.280 33.187 1.00 0.00 C +ATOM 2393 CG ASP A 147 10.702 10.047 32.040 1.00 0.00 C +ATOM 2394 OD1 ASP A 147 11.906 9.919 31.885 1.00 0.00 O +ATOM 2395 OD2 ASP A 147 9.993 10.748 31.337 1.00 0.00 O +ATOM 2396 H ASP A 147 9.496 7.334 34.994 1.00 0.00 H +ATOM 2397 HA ASP A 147 11.460 7.723 32.779 1.00 0.00 H +ATOM 2398 HB2 ASP A 147 9.102 8.868 32.852 1.00 0.00 H +ATOM 2399 HB3 ASP A 147 9.866 9.951 34.015 1.00 0.00 H +ATOM 2400 N PRO A 148 13.248 8.195 34.515 1.00 0.00 N +ATOM 2401 CA PRO A 148 14.349 8.629 35.384 1.00 0.00 C +ATOM 2402 C PRO A 148 14.816 10.047 35.044 1.00 0.00 C +ATOM 2403 O PRO A 148 14.372 10.643 34.082 1.00 0.00 O +ATOM 2404 CB PRO A 148 15.461 7.628 35.079 1.00 0.00 C +ATOM 2405 CG PRO A 148 15.167 7.143 33.699 1.00 0.00 C +ATOM 2406 CD PRO A 148 13.672 7.167 33.549 1.00 0.00 C +ATOM 2407 HA PRO A 148 14.095 8.568 36.429 1.00 0.00 H +ATOM 2408 HB2 PRO A 148 16.420 8.125 35.130 1.00 0.00 H +ATOM 2409 HB3 PRO A 148 15.432 6.823 35.799 1.00 0.00 H +ATOM 2410 HG2 PRO A 148 15.634 7.797 32.977 1.00 0.00 H +ATOM 2411 HG3 PRO A 148 15.546 6.139 33.580 1.00 0.00 H +ATOM 2412 HD2 PRO A 148 13.399 7.438 32.539 1.00 0.00 H +ATOM 2413 HD3 PRO A 148 13.252 6.201 33.788 1.00 0.00 H +ATOM 2414 N GLU A 149 15.708 10.591 35.828 1.00 0.00 N +ATOM 2415 CA GLU A 149 16.209 11.970 35.555 1.00 0.00 C +ATOM 2416 C GLU A 149 15.205 13.002 36.078 1.00 0.00 C +ATOM 2417 O GLU A 149 15.544 14.144 36.316 1.00 0.00 O +ATOM 2418 CB GLU A 149 16.397 12.160 34.048 1.00 0.00 C +ATOM 2419 CG GLU A 149 17.682 12.948 33.790 1.00 0.00 C +ATOM 2420 CD GLU A 149 17.734 13.376 32.322 1.00 0.00 C +ATOM 2421 OE1 GLU A 149 17.276 12.613 31.487 1.00 0.00 O +ATOM 2422 OE2 GLU A 149 18.230 14.459 32.059 1.00 0.00 O +ATOM 2423 H GLU A 149 16.052 10.091 36.597 1.00 0.00 H +ATOM 2424 HA GLU A 149 17.157 12.111 36.053 1.00 0.00 H +ATOM 2425 HB2 GLU A 149 16.465 11.194 33.570 1.00 0.00 H +ATOM 2426 HB3 GLU A 149 15.555 12.703 33.645 1.00 0.00 H +ATOM 2427 HG2 GLU A 149 17.701 13.824 34.422 1.00 0.00 H +ATOM 2428 HG3 GLU A 149 18.537 12.326 34.014 1.00 0.00 H +ATOM 2429 N ARG A 150 13.972 12.612 36.261 1.00 0.00 N +ATOM 2430 CA ARG A 150 12.955 13.574 36.769 1.00 0.00 C +ATOM 2431 C ARG A 150 12.228 12.961 37.969 1.00 0.00 C +ATOM 2432 O ARG A 150 11.512 13.635 38.684 1.00 0.00 O +ATOM 2433 CB ARG A 150 11.946 13.882 35.661 1.00 0.00 C +ATOM 2434 CG ARG A 150 12.691 14.388 34.423 1.00 0.00 C +ATOM 2435 CD ARG A 150 11.691 14.641 33.293 1.00 0.00 C +ATOM 2436 NE ARG A 150 12.424 15.079 32.072 1.00 0.00 N +ATOM 2437 CZ ARG A 150 13.313 14.294 31.529 1.00 0.00 C +ATOM 2438 NH1 ARG A 150 13.226 13.001 31.687 1.00 0.00 N +ATOM 2439 NH2 ARG A 150 14.290 14.802 30.829 1.00 0.00 N +ATOM 2440 H ARG A 150 13.716 11.689 36.065 1.00 0.00 H +ATOM 2441 HA ARG A 150 13.444 14.488 37.073 1.00 0.00 H +ATOM 2442 HB2 ARG A 150 11.399 12.984 35.411 1.00 0.00 H +ATOM 2443 HB3 ARG A 150 11.256 14.640 36.001 1.00 0.00 H +ATOM 2444 HG2 ARG A 150 13.203 15.308 34.663 1.00 0.00 H +ATOM 2445 HG3 ARG A 150 13.410 13.646 34.108 1.00 0.00 H +ATOM 2446 HD2 ARG A 150 11.148 13.731 33.082 1.00 0.00 H +ATOM 2447 HD3 ARG A 150 10.996 15.412 33.593 1.00 0.00 H +ATOM 2448 HE ARG A 150 12.238 15.956 31.678 1.00 0.00 H +ATOM 2449 HH11 ARG A 150 12.478 12.612 32.224 1.00 0.00 H +ATOM 2450 HH12 ARG A 150 13.908 12.400 31.270 1.00 0.00 H +ATOM 2451 HH21 ARG A 150 14.358 15.793 30.710 1.00 0.00 H +ATOM 2452 HH22 ARG A 150 14.972 14.201 30.412 1.00 0.00 H +ATOM 2453 N GLN A 151 12.410 11.690 38.198 1.00 0.00 N +ATOM 2454 CA GLN A 151 11.735 11.035 39.351 1.00 0.00 C +ATOM 2455 C GLN A 151 10.229 10.959 39.094 1.00 0.00 C +ATOM 2456 O GLN A 151 9.429 11.301 39.941 1.00 0.00 O +ATOM 2457 CB GLN A 151 11.993 11.847 40.622 1.00 0.00 C +ATOM 2458 CG GLN A 151 13.448 12.320 40.641 1.00 0.00 C +ATOM 2459 CD GLN A 151 13.746 12.995 41.981 1.00 0.00 C +ATOM 2460 OE1 GLN A 151 12.938 13.747 42.488 1.00 0.00 O +ATOM 2461 NE2 GLN A 151 14.881 12.757 42.579 1.00 0.00 N +ATOM 2462 H GLN A 151 12.994 11.167 37.611 1.00 0.00 H +ATOM 2463 HA GLN A 151 12.128 10.038 39.478 1.00 0.00 H +ATOM 2464 HB2 GLN A 151 11.336 12.703 40.640 1.00 0.00 H +ATOM 2465 HB3 GLN A 151 11.805 11.229 41.488 1.00 0.00 H +ATOM 2466 HG2 GLN A 151 14.104 11.471 40.511 1.00 0.00 H +ATOM 2467 HG3 GLN A 151 13.608 13.025 39.839 1.00 0.00 H +ATOM 2468 HE21 GLN A 151 15.532 12.149 42.169 1.00 0.00 H +ATOM 2469 HE22 GLN A 151 15.044 13.114 43.476 1.00 0.00 H +ATOM 2470 N GLU A 152 9.833 10.506 37.935 1.00 0.00 N +ATOM 2471 CA GLU A 152 8.378 10.400 37.633 1.00 0.00 C +ATOM 2472 C GLU A 152 8.051 8.949 37.278 1.00 0.00 C +ATOM 2473 O GLU A 152 8.858 8.249 36.699 1.00 0.00 O +ATOM 2474 CB GLU A 152 8.033 11.309 36.451 1.00 0.00 C +ATOM 2475 CG GLU A 152 8.379 12.757 36.805 1.00 0.00 C +ATOM 2476 CD GLU A 152 8.080 13.661 35.607 1.00 0.00 C +ATOM 2477 OE1 GLU A 152 7.790 13.130 34.547 1.00 0.00 O +ATOM 2478 OE2 GLU A 152 8.146 14.868 35.770 1.00 0.00 O +ATOM 2479 H GLU A 152 10.488 10.225 37.262 1.00 0.00 H +ATOM 2480 HA GLU A 152 7.806 10.699 38.500 1.00 0.00 H +ATOM 2481 HB2 GLU A 152 8.601 11.005 35.585 1.00 0.00 H +ATOM 2482 HB3 GLU A 152 6.978 11.233 36.234 1.00 0.00 H +ATOM 2483 HG2 GLU A 152 7.785 13.072 37.650 1.00 0.00 H +ATOM 2484 HG3 GLU A 152 9.427 12.827 37.055 1.00 0.00 H +ATOM 2485 N LEU A 153 6.884 8.484 37.627 1.00 0.00 N +ATOM 2486 CA LEU A 153 6.537 7.070 37.309 1.00 0.00 C +ATOM 2487 C LEU A 153 5.116 6.978 36.751 1.00 0.00 C +ATOM 2488 O LEU A 153 4.159 7.369 37.389 1.00 0.00 O +ATOM 2489 CB LEU A 153 6.636 6.228 38.581 1.00 0.00 C +ATOM 2490 CG LEU A 153 7.934 5.420 38.553 1.00 0.00 C +ATOM 2491 CD1 LEU A 153 8.456 5.249 39.980 1.00 0.00 C +ATOM 2492 CD2 LEU A 153 7.667 4.045 37.939 1.00 0.00 C +ATOM 2493 H LEU A 153 6.249 9.062 38.104 1.00 0.00 H +ATOM 2494 HA LEU A 153 7.231 6.688 36.576 1.00 0.00 H +ATOM 2495 HB2 LEU A 153 6.634 6.877 39.444 1.00 0.00 H +ATOM 2496 HB3 LEU A 153 5.793 5.554 38.634 1.00 0.00 H +ATOM 2497 HG LEU A 153 8.671 5.942 37.961 1.00 0.00 H +ATOM 2498 HD11 LEU A 153 9.535 5.223 39.968 1.00 0.00 H +ATOM 2499 HD12 LEU A 153 8.078 4.326 40.393 1.00 0.00 H +ATOM 2500 HD13 LEU A 153 8.123 6.079 40.585 1.00 0.00 H +ATOM 2501 HD21 LEU A 153 8.045 4.024 36.928 1.00 0.00 H +ATOM 2502 HD22 LEU A 153 6.604 3.856 37.929 1.00 0.00 H +ATOM 2503 HD23 LEU A 153 8.163 3.286 38.525 1.00 0.00 H +ATOM 2504 N LYS A 154 4.974 6.443 35.569 1.00 0.00 N +ATOM 2505 CA LYS A 154 3.618 6.299 34.972 1.00 0.00 C +ATOM 2506 C LYS A 154 2.969 5.041 35.547 1.00 0.00 C +ATOM 2507 O LYS A 154 3.568 3.983 35.574 1.00 0.00 O +ATOM 2508 CB LYS A 154 3.737 6.167 33.452 1.00 0.00 C +ATOM 2509 CG LYS A 154 3.615 7.549 32.808 1.00 0.00 C +ATOM 2510 CD LYS A 154 3.951 7.448 31.319 1.00 0.00 C +ATOM 2511 CE LYS A 154 5.193 8.287 31.017 1.00 0.00 C +ATOM 2512 NZ LYS A 154 5.027 9.649 31.601 1.00 0.00 N +ATOM 2513 H LYS A 154 5.760 6.121 35.080 1.00 0.00 H +ATOM 2514 HA LYS A 154 3.018 7.164 35.218 1.00 0.00 H +ATOM 2515 HB2 LYS A 154 4.695 5.736 33.201 1.00 0.00 H +ATOM 2516 HB3 LYS A 154 2.948 5.528 33.085 1.00 0.00 H +ATOM 2517 HG2 LYS A 154 2.606 7.913 32.926 1.00 0.00 H +ATOM 2518 HG3 LYS A 154 4.303 8.231 33.286 1.00 0.00 H +ATOM 2519 HD2 LYS A 154 4.144 6.416 31.063 1.00 0.00 H +ATOM 2520 HD3 LYS A 154 3.118 7.813 30.736 1.00 0.00 H +ATOM 2521 HE2 LYS A 154 6.062 7.814 31.449 1.00 0.00 H +ATOM 2522 HE3 LYS A 154 5.321 8.368 29.947 1.00 0.00 H +ATOM 2523 HZ1 LYS A 154 5.513 10.345 31.002 1.00 0.00 H +ATOM 2524 HZ2 LYS A 154 5.437 9.667 32.558 1.00 0.00 H +ATOM 2525 HZ3 LYS A 154 4.016 9.884 31.652 1.00 0.00 H +ATOM 2526 N VAL A 155 1.755 5.142 36.012 1.00 0.00 N +ATOM 2527 CA VAL A 155 1.085 3.945 36.592 1.00 0.00 C +ATOM 2528 C VAL A 155 -0.289 3.753 35.949 1.00 0.00 C +ATOM 2529 O VAL A 155 -0.952 4.701 35.580 1.00 0.00 O +ATOM 2530 CB VAL A 155 0.918 4.141 38.100 1.00 0.00 C +ATOM 2531 CG1 VAL A 155 0.596 2.798 38.758 1.00 0.00 C +ATOM 2532 CG2 VAL A 155 2.216 4.697 38.688 1.00 0.00 C +ATOM 2533 H VAL A 155 1.287 6.003 35.984 1.00 0.00 H +ATOM 2534 HA VAL A 155 1.691 3.070 36.410 1.00 0.00 H +ATOM 2535 HB VAL A 155 0.112 4.835 38.286 1.00 0.00 H +ATOM 2536 HG11 VAL A 155 -0.246 2.344 38.256 1.00 0.00 H +ATOM 2537 HG12 VAL A 155 0.353 2.955 39.798 1.00 0.00 H +ATOM 2538 HG13 VAL A 155 1.453 2.146 38.683 1.00 0.00 H +ATOM 2539 HG21 VAL A 155 2.419 5.667 38.259 1.00 0.00 H +ATOM 2540 HG22 VAL A 155 3.031 4.026 38.462 1.00 0.00 H +ATOM 2541 HG23 VAL A 155 2.115 4.793 39.759 1.00 0.00 H +ATOM 2542 N ASN A 156 -0.722 2.529 35.819 1.00 0.00 N +ATOM 2543 CA ASN A 156 -2.055 2.268 35.208 1.00 0.00 C +ATOM 2544 C ASN A 156 -3.091 2.081 36.318 1.00 0.00 C +ATOM 2545 O ASN A 156 -3.047 1.124 37.066 1.00 0.00 O +ATOM 2546 CB ASN A 156 -1.985 0.999 34.354 1.00 0.00 C +ATOM 2547 CG ASN A 156 -2.702 1.239 33.024 1.00 0.00 C +ATOM 2548 OD1 ASN A 156 -2.859 2.366 32.601 1.00 0.00 O +ATOM 2549 ND2 ASN A 156 -3.147 0.218 32.343 1.00 0.00 N +ATOM 2550 H ASN A 156 -0.170 1.780 36.129 1.00 0.00 H +ATOM 2551 HA ASN A 156 -2.337 3.105 34.588 1.00 0.00 H +ATOM 2552 HB2 ASN A 156 -0.951 0.749 34.166 1.00 0.00 H +ATOM 2553 HB3 ASN A 156 -2.462 0.185 34.879 1.00 0.00 H +ATOM 2554 HD21 ASN A 156 -3.020 -0.692 32.685 1.00 0.00 H +ATOM 2555 HD22 ASN A 156 -3.585 0.360 31.478 1.00 0.00 H +ATOM 2556 N VAL A 157 -4.021 2.988 36.434 1.00 0.00 N +ATOM 2557 CA VAL A 157 -5.055 2.863 37.500 1.00 0.00 C +ATOM 2558 C VAL A 157 -6.296 2.170 36.934 1.00 0.00 C +ATOM 2559 O VAL A 157 -6.689 2.397 35.807 1.00 0.00 O +ATOM 2560 CB VAL A 157 -5.437 4.252 38.009 1.00 0.00 C +ATOM 2561 CG1 VAL A 157 -6.507 4.120 39.095 1.00 0.00 C +ATOM 2562 CG2 VAL A 157 -4.200 4.938 38.594 1.00 0.00 C +ATOM 2563 H VAL A 157 -4.038 3.755 35.822 1.00 0.00 H +ATOM 2564 HA VAL A 157 -4.659 2.279 38.316 1.00 0.00 H +ATOM 2565 HB VAL A 157 -5.823 4.840 37.192 1.00 0.00 H +ATOM 2566 HG11 VAL A 157 -7.310 4.815 38.894 1.00 0.00 H +ATOM 2567 HG12 VAL A 157 -6.072 4.340 40.058 1.00 0.00 H +ATOM 2568 HG13 VAL A 157 -6.896 3.112 39.097 1.00 0.00 H +ATOM 2569 HG21 VAL A 157 -4.351 6.008 38.599 1.00 0.00 H +ATOM 2570 HG22 VAL A 157 -3.337 4.698 37.991 1.00 0.00 H +ATOM 2571 HG23 VAL A 157 -4.041 4.593 39.604 1.00 0.00 H +ATOM 2572 N THR A 158 -6.915 1.326 37.712 1.00 0.00 N +ATOM 2573 CA THR A 158 -8.130 0.612 37.227 1.00 0.00 C +ATOM 2574 C THR A 158 -9.383 1.382 37.652 1.00 0.00 C +ATOM 2575 O THR A 158 -9.874 1.226 38.752 1.00 0.00 O +ATOM 2576 CB THR A 158 -8.167 -0.795 37.827 1.00 0.00 C +ATOM 2577 OG1 THR A 158 -6.964 -1.477 37.504 1.00 0.00 O +ATOM 2578 CG2 THR A 158 -9.360 -1.563 37.258 1.00 0.00 C +ATOM 2579 H THR A 158 -6.574 1.161 38.615 1.00 0.00 H +ATOM 2580 HA THR A 158 -8.099 0.542 36.151 1.00 0.00 H +ATOM 2581 HB THR A 158 -8.267 -0.726 38.898 1.00 0.00 H +ATOM 2582 HG1 THR A 158 -6.268 -1.138 38.072 1.00 0.00 H +ATOM 2583 HG21 THR A 158 -9.733 -1.053 36.382 1.00 0.00 H +ATOM 2584 HG22 THR A 158 -10.141 -1.618 38.002 1.00 0.00 H +ATOM 2585 HG23 THR A 158 -9.050 -2.562 36.987 1.00 0.00 H +ATOM 2586 N ILE A 159 -9.906 2.209 36.788 1.00 0.00 N +ATOM 2587 CA ILE A 159 -11.129 2.983 37.145 1.00 0.00 C +ATOM 2588 C ILE A 159 -12.241 2.673 36.145 1.00 0.00 C +ATOM 2589 O ILE A 159 -12.007 2.528 34.961 1.00 0.00 O +ATOM 2590 CB ILE A 159 -10.829 4.481 37.108 1.00 0.00 C +ATOM 2591 CG1 ILE A 159 -9.447 4.742 37.701 1.00 0.00 C +ATOM 2592 CG2 ILE A 159 -11.884 5.232 37.922 1.00 0.00 C +ATOM 2593 CD1 ILE A 159 -8.959 6.119 37.248 1.00 0.00 C +ATOM 2594 H ILE A 159 -9.497 2.320 35.904 1.00 0.00 H +ATOM 2595 HA ILE A 159 -11.451 2.706 38.138 1.00 0.00 H +ATOM 2596 HB ILE A 159 -10.851 4.825 36.085 1.00 0.00 H +ATOM 2597 HG12 ILE A 159 -9.507 4.718 38.779 1.00 0.00 H +ATOM 2598 HG13 ILE A 159 -8.759 3.984 37.360 1.00 0.00 H +ATOM 2599 HG21 ILE A 159 -12.773 4.624 38.006 1.00 0.00 H +ATOM 2600 HG22 ILE A 159 -12.128 6.160 37.427 1.00 0.00 H +ATOM 2601 HG23 ILE A 159 -11.496 5.441 38.908 1.00 0.00 H +ATOM 2602 HD11 ILE A 159 -9.809 6.769 37.097 1.00 0.00 H +ATOM 2603 HD12 ILE A 159 -8.412 6.021 36.323 1.00 0.00 H +ATOM 2604 HD13 ILE A 159 -8.315 6.540 38.006 1.00 0.00 H +ATOM 2605 N PHE A 160 -13.452 2.570 36.614 1.00 0.00 N +ATOM 2606 CA PHE A 160 -14.588 2.270 35.696 1.00 0.00 C +ATOM 2607 C PHE A 160 -14.362 0.912 35.030 1.00 0.00 C +ATOM 2608 O PHE A 160 -14.610 0.738 33.853 1.00 0.00 O +ATOM 2609 CB PHE A 160 -14.677 3.359 34.626 1.00 0.00 C +ATOM 2610 CG PHE A 160 -14.961 4.687 35.285 1.00 0.00 C +ATOM 2611 CD1 PHE A 160 -16.259 4.995 35.711 1.00 0.00 C +ATOM 2612 CD2 PHE A 160 -13.927 5.612 35.471 1.00 0.00 C +ATOM 2613 CE1 PHE A 160 -16.522 6.226 36.323 1.00 0.00 C +ATOM 2614 CE2 PHE A 160 -14.189 6.843 36.083 1.00 0.00 C +ATOM 2615 CZ PHE A 160 -15.487 7.150 36.509 1.00 0.00 C +ATOM 2616 H PHE A 160 -13.615 2.688 37.572 1.00 0.00 H +ATOM 2617 HA PHE A 160 -15.506 2.245 36.260 1.00 0.00 H +ATOM 2618 HB2 PHE A 160 -13.742 3.414 34.091 1.00 0.00 H +ATOM 2619 HB3 PHE A 160 -15.474 3.121 33.937 1.00 0.00 H +ATOM 2620 HD1 PHE A 160 -17.058 4.282 35.567 1.00 0.00 H +ATOM 2621 HD2 PHE A 160 -12.925 5.375 35.142 1.00 0.00 H +ATOM 2622 HE1 PHE A 160 -17.523 6.464 36.652 1.00 0.00 H +ATOM 2623 HE2 PHE A 160 -13.390 7.556 36.225 1.00 0.00 H +ATOM 2624 HZ PHE A 160 -15.689 8.100 36.980 1.00 0.00 H +ATOM 2625 N GLY A 161 -13.896 -0.053 35.774 1.00 0.00 N +ATOM 2626 CA GLY A 161 -13.657 -1.402 35.187 1.00 0.00 C +ATOM 2627 C GLY A 161 -12.691 -1.289 34.006 1.00 0.00 C +ATOM 2628 O GLY A 161 -12.584 -2.186 33.193 1.00 0.00 O +ATOM 2629 H GLY A 161 -13.705 0.109 36.722 1.00 0.00 H +ATOM 2630 HA2 GLY A 161 -13.231 -2.050 35.938 1.00 0.00 H +ATOM 2631 HA3 GLY A 161 -14.594 -1.815 34.845 1.00 0.00 H +ATOM 2632 N ARG A 162 -11.987 -0.195 33.901 1.00 0.00 N +ATOM 2633 CA ARG A 162 -11.030 -0.032 32.770 1.00 0.00 C +ATOM 2634 C ARG A 162 -9.666 0.399 33.311 1.00 0.00 C +ATOM 2635 O ARG A 162 -9.570 1.034 34.342 1.00 0.00 O +ATOM 2636 CB ARG A 162 -11.557 1.032 31.804 1.00 0.00 C +ATOM 2637 CG ARG A 162 -12.915 0.592 31.253 1.00 0.00 C +ATOM 2638 CD ARG A 162 -13.674 1.814 30.729 1.00 0.00 C +ATOM 2639 NE ARG A 162 -13.269 2.084 29.320 1.00 0.00 N +ATOM 2640 CZ ARG A 162 -13.558 1.224 28.383 1.00 0.00 C +ATOM 2641 NH1 ARG A 162 -12.743 0.236 28.129 1.00 0.00 N +ATOM 2642 NH2 ARG A 162 -14.662 1.352 27.697 1.00 0.00 N +ATOM 2643 H ARG A 162 -12.086 0.520 34.565 1.00 0.00 H +ATOM 2644 HA ARG A 162 -10.928 -0.972 32.247 1.00 0.00 H +ATOM 2645 HB2 ARG A 162 -11.668 1.970 32.329 1.00 0.00 H +ATOM 2646 HB3 ARG A 162 -10.860 1.155 30.989 1.00 0.00 H +ATOM 2647 HG2 ARG A 162 -12.765 -0.111 30.448 1.00 0.00 H +ATOM 2648 HG3 ARG A 162 -13.488 0.123 32.040 1.00 0.00 H +ATOM 2649 HD2 ARG A 162 -14.736 1.622 30.769 1.00 0.00 H +ATOM 2650 HD3 ARG A 162 -13.440 2.672 31.341 1.00 0.00 H +ATOM 2651 HE ARG A 162 -12.787 2.907 29.098 1.00 0.00 H +ATOM 2652 HH11 ARG A 162 -11.898 0.139 28.654 1.00 0.00 H +ATOM 2653 HH12 ARG A 162 -12.965 -0.423 27.410 1.00 0.00 H +ATOM 2654 HH21 ARG A 162 -15.286 2.109 27.891 1.00 0.00 H +ATOM 2655 HH22 ARG A 162 -14.883 0.693 26.978 1.00 0.00 H +ATOM 2656 N GLU A 163 -8.609 0.059 32.624 1.00 0.00 N +ATOM 2657 CA GLU A 163 -7.253 0.450 33.102 1.00 0.00 C +ATOM 2658 C GLU A 163 -6.817 1.739 32.403 1.00 0.00 C +ATOM 2659 O GLU A 163 -6.997 1.902 31.212 1.00 0.00 O +ATOM 2660 CB GLU A 163 -6.256 -0.666 32.782 1.00 0.00 C +ATOM 2661 CG GLU A 163 -6.522 -1.866 33.695 1.00 0.00 C +ATOM 2662 CD GLU A 163 -5.919 -3.125 33.069 1.00 0.00 C +ATOM 2663 OE1 GLU A 163 -5.266 -3.000 32.046 1.00 0.00 O +ATOM 2664 OE2 GLU A 163 -6.120 -4.193 33.624 1.00 0.00 O +ATOM 2665 H GLU A 163 -8.707 -0.454 31.795 1.00 0.00 H +ATOM 2666 HA GLU A 163 -7.280 0.612 34.170 1.00 0.00 H +ATOM 2667 HB2 GLU A 163 -6.371 -0.966 31.750 1.00 0.00 H +ATOM 2668 HB3 GLU A 163 -5.250 -0.308 32.943 1.00 0.00 H +ATOM 2669 HG2 GLU A 163 -6.070 -1.691 34.660 1.00 0.00 H +ATOM 2670 HG3 GLU A 163 -7.587 -1.998 33.814 1.00 0.00 H +ATOM 2671 N THR A 164 -6.245 2.657 33.133 1.00 0.00 N +ATOM 2672 CA THR A 164 -5.799 3.934 32.508 1.00 0.00 C +ATOM 2673 C THR A 164 -4.519 4.420 33.190 1.00 0.00 C +ATOM 2674 O THR A 164 -4.453 4.528 34.399 1.00 0.00 O +ATOM 2675 CB THR A 164 -6.896 4.989 32.666 1.00 0.00 C +ATOM 2676 OG1 THR A 164 -7.981 4.676 31.805 1.00 0.00 O +ATOM 2677 CG2 THR A 164 -6.337 6.367 32.308 1.00 0.00 C +ATOM 2678 H THR A 164 -6.111 2.505 34.092 1.00 0.00 H +ATOM 2679 HA THR A 164 -5.607 3.772 31.458 1.00 0.00 H +ATOM 2680 HB THR A 164 -7.240 5.000 33.689 1.00 0.00 H +ATOM 2681 HG1 THR A 164 -8.594 5.414 31.818 1.00 0.00 H +ATOM 2682 HG21 THR A 164 -6.386 7.011 33.174 1.00 0.00 H +ATOM 2683 HG22 THR A 164 -6.922 6.795 31.507 1.00 0.00 H +ATOM 2684 HG23 THR A 164 -5.310 6.268 31.991 1.00 0.00 H +ATOM 2685 N PRO A 165 -3.484 4.721 32.393 1.00 0.00 N +ATOM 2686 CA PRO A 165 -2.197 5.202 32.910 1.00 0.00 C +ATOM 2687 C PRO A 165 -2.309 6.622 33.468 1.00 0.00 C +ATOM 2688 O PRO A 165 -2.930 7.483 32.877 1.00 0.00 O +ATOM 2689 CB PRO A 165 -1.291 5.195 31.679 1.00 0.00 C +ATOM 2690 CG PRO A 165 -2.226 5.326 30.524 1.00 0.00 C +ATOM 2691 CD PRO A 165 -3.489 4.616 30.923 1.00 0.00 C +ATOM 2692 HA PRO A 165 -1.783 4.546 33.658 1.00 0.00 H +ATOM 2693 HB2 PRO A 165 -0.603 6.025 31.730 1.00 0.00 H +ATOM 2694 HB3 PRO A 165 -0.739 4.268 31.640 1.00 0.00 H +ATOM 2695 HG2 PRO A 165 -2.420 6.371 30.330 1.00 0.00 H +ATOM 2696 HG3 PRO A 165 -1.790 4.867 29.649 1.00 0.00 H +ATOM 2697 HD2 PRO A 165 -4.350 5.106 30.494 1.00 0.00 H +ATOM 2698 HD3 PRO A 165 -3.463 3.586 30.599 1.00 0.00 H +ATOM 2699 N VAL A 166 -1.713 6.877 34.601 1.00 0.00 N +ATOM 2700 CA VAL A 166 -1.790 8.245 35.187 1.00 0.00 C +ATOM 2701 C VAL A 166 -0.378 8.789 35.404 1.00 0.00 C +ATOM 2702 O VAL A 166 0.530 8.068 35.766 1.00 0.00 O +ATOM 2703 CB VAL A 166 -2.524 8.188 36.528 1.00 0.00 C +ATOM 2704 CG1 VAL A 166 -1.875 7.128 37.420 1.00 0.00 C +ATOM 2705 CG2 VAL A 166 -2.439 9.553 37.212 1.00 0.00 C +ATOM 2706 H VAL A 166 -1.215 6.174 35.067 1.00 0.00 H +ATOM 2707 HA VAL A 166 -2.326 8.894 34.512 1.00 0.00 H +ATOM 2708 HB VAL A 166 -3.559 7.934 36.360 1.00 0.00 H +ATOM 2709 HG11 VAL A 166 -1.503 7.594 38.321 1.00 0.00 H +ATOM 2710 HG12 VAL A 166 -1.057 6.664 36.891 1.00 0.00 H +ATOM 2711 HG13 VAL A 166 -2.609 6.378 37.679 1.00 0.00 H +ATOM 2712 HG21 VAL A 166 -2.198 10.309 36.480 1.00 0.00 H +ATOM 2713 HG22 VAL A 166 -1.671 9.528 37.971 1.00 0.00 H +ATOM 2714 HG23 VAL A 166 -3.390 9.786 37.670 1.00 0.00 H +ATOM 2715 N VAL A 167 -0.190 10.059 35.184 1.00 0.00 N +ATOM 2716 CA VAL A 167 1.161 10.656 35.374 1.00 0.00 C +ATOM 2717 C VAL A 167 1.279 11.210 36.796 1.00 0.00 C +ATOM 2718 O VAL A 167 0.538 12.085 37.196 1.00 0.00 O +ATOM 2719 CB VAL A 167 1.369 11.787 34.365 1.00 0.00 C +ATOM 2720 CG1 VAL A 167 1.604 11.191 32.975 1.00 0.00 C +ATOM 2721 CG2 VAL A 167 0.127 12.680 34.335 1.00 0.00 C +ATOM 2722 H VAL A 167 -0.942 10.614 34.889 1.00 0.00 H +ATOM 2723 HA VAL A 167 1.913 9.896 35.222 1.00 0.00 H +ATOM 2724 HB VAL A 167 2.227 12.375 34.654 1.00 0.00 H +ATOM 2725 HG11 VAL A 167 0.718 10.663 32.656 1.00 0.00 H +ATOM 2726 HG12 VAL A 167 2.438 10.507 33.013 1.00 0.00 H +ATOM 2727 HG13 VAL A 167 1.821 11.985 32.276 1.00 0.00 H +ATOM 2728 HG21 VAL A 167 -0.499 12.456 35.186 1.00 0.00 H +ATOM 2729 HG22 VAL A 167 -0.425 12.499 33.425 1.00 0.00 H +ATOM 2730 HG23 VAL A 167 0.428 13.717 34.372 1.00 0.00 H +ATOM 2731 N LEU A 168 2.204 10.702 37.565 1.00 0.00 N +ATOM 2732 CA LEU A 168 2.359 11.200 38.962 1.00 0.00 C +ATOM 2733 C LEU A 168 3.839 11.266 39.343 1.00 0.00 C +ATOM 2734 O LEU A 168 4.703 10.739 38.666 1.00 0.00 O +ATOM 2735 CB LEU A 168 1.634 10.269 39.938 1.00 0.00 C +ATOM 2736 CG LEU A 168 0.649 9.377 39.180 1.00 0.00 C +ATOM 2737 CD1 LEU A 168 1.399 8.190 38.572 1.00 0.00 C +ATOM 2738 CD2 LEU A 168 -0.418 8.863 40.149 1.00 0.00 C +ATOM 2739 H LEU A 168 2.784 9.991 37.220 1.00 0.00 H +ATOM 2740 HA LEU A 168 1.931 12.190 39.035 1.00 0.00 H +ATOM 2741 HB2 LEU A 168 2.358 9.652 40.449 1.00 0.00 H +ATOM 2742 HB3 LEU A 168 1.094 10.860 40.663 1.00 0.00 H +ATOM 2743 HG LEU A 168 0.177 9.947 38.394 1.00 0.00 H +ATOM 2744 HD11 LEU A 168 1.599 8.385 37.530 1.00 0.00 H +ATOM 2745 HD12 LEU A 168 0.796 7.299 38.662 1.00 0.00 H +ATOM 2746 HD13 LEU A 168 2.333 8.047 39.097 1.00 0.00 H +ATOM 2747 HD21 LEU A 168 -0.323 7.793 40.256 1.00 0.00 H +ATOM 2748 HD22 LEU A 168 -1.399 9.101 39.764 1.00 0.00 H +ATOM 2749 HD23 LEU A 168 -0.286 9.334 41.112 1.00 0.00 H +ATOM 2750 N HIS A 169 4.124 11.910 40.440 1.00 0.00 N +ATOM 2751 CA HIS A 169 5.533 12.025 40.905 1.00 0.00 C +ATOM 2752 C HIS A 169 5.918 10.752 41.656 1.00 0.00 C +ATOM 2753 O HIS A 169 5.133 10.197 42.401 1.00 0.00 O +ATOM 2754 CB HIS A 169 5.669 13.229 41.838 1.00 0.00 C +ATOM 2755 CG HIS A 169 5.234 14.474 41.116 1.00 0.00 C +ATOM 2756 ND1 HIS A 169 4.968 15.660 41.782 1.00 0.00 N +ATOM 2757 CD2 HIS A 169 5.013 14.734 39.786 1.00 0.00 C +ATOM 2758 CE1 HIS A 169 4.608 16.571 40.860 1.00 0.00 C +ATOM 2759 NE2 HIS A 169 4.618 16.059 39.627 1.00 0.00 N +ATOM 2760 H HIS A 169 3.392 12.307 40.956 1.00 0.00 H +ATOM 2761 HA HIS A 169 6.185 12.153 40.056 1.00 0.00 H +ATOM 2762 HB2 HIS A 169 5.047 13.081 42.707 1.00 0.00 H +ATOM 2763 HB3 HIS A 169 6.699 13.332 42.145 1.00 0.00 H +ATOM 2764 HD1 HIS A 169 5.034 15.810 42.749 1.00 0.00 H +ATOM 2765 HD2 HIS A 169 5.130 14.019 38.985 1.00 0.00 H +ATOM 2766 HE1 HIS A 169 4.342 17.593 41.088 1.00 0.00 H +ATOM 2767 N VAL A 170 7.121 10.285 41.474 1.00 0.00 N +ATOM 2768 CA VAL A 170 7.552 9.051 42.186 1.00 0.00 C +ATOM 2769 C VAL A 170 7.318 9.237 43.684 1.00 0.00 C +ATOM 2770 O VAL A 170 6.950 8.316 44.387 1.00 0.00 O +ATOM 2771 CB VAL A 170 9.041 8.811 41.926 1.00 0.00 C +ATOM 2772 CG1 VAL A 170 9.487 7.531 42.635 1.00 0.00 C +ATOM 2773 CG2 VAL A 170 9.281 8.668 40.422 1.00 0.00 C +ATOM 2774 H VAL A 170 7.744 10.749 40.876 1.00 0.00 H +ATOM 2775 HA VAL A 170 6.980 8.208 41.829 1.00 0.00 H +ATOM 2776 HB VAL A 170 9.611 9.647 42.302 1.00 0.00 H +ATOM 2777 HG11 VAL A 170 9.553 7.713 43.697 1.00 0.00 H +ATOM 2778 HG12 VAL A 170 10.454 7.230 42.260 1.00 0.00 H +ATOM 2779 HG13 VAL A 170 8.768 6.747 42.448 1.00 0.00 H +ATOM 2780 HG21 VAL A 170 8.640 9.355 39.890 1.00 0.00 H +ATOM 2781 HG22 VAL A 170 9.058 7.657 40.116 1.00 0.00 H +ATOM 2782 HG23 VAL A 170 10.313 8.893 40.200 1.00 0.00 H +ATOM 2783 N SER A 171 7.534 10.425 44.174 1.00 0.00 N +ATOM 2784 CA SER A 171 7.331 10.685 45.626 1.00 0.00 C +ATOM 2785 C SER A 171 5.834 10.767 45.934 1.00 0.00 C +ATOM 2786 O SER A 171 5.434 10.857 47.077 1.00 0.00 O +ATOM 2787 CB SER A 171 8.000 12.008 46.003 1.00 0.00 C +ATOM 2788 OG SER A 171 7.106 13.081 45.744 1.00 0.00 O +ATOM 2789 H SER A 171 7.832 11.150 43.584 1.00 0.00 H +ATOM 2790 HA SER A 171 7.773 9.883 46.200 1.00 0.00 H +ATOM 2791 HB2 SER A 171 8.254 11.997 47.052 1.00 0.00 H +ATOM 2792 HB3 SER A 171 8.897 12.137 45.416 1.00 0.00 H +ATOM 2793 HG SER A 171 7.356 13.479 44.907 1.00 0.00 H +ATOM 2794 N GLU A 172 5.002 10.743 44.929 1.00 0.00 N +ATOM 2795 CA GLU A 172 3.536 10.826 45.177 1.00 0.00 C +ATOM 2796 C GLU A 172 2.932 9.420 45.200 1.00 0.00 C +ATOM 2797 O GLU A 172 1.754 9.247 45.443 1.00 0.00 O +ATOM 2798 CB GLU A 172 2.881 11.635 44.056 1.00 0.00 C +ATOM 2799 CG GLU A 172 3.230 13.113 44.222 1.00 0.00 C +ATOM 2800 CD GLU A 172 2.855 13.873 42.948 1.00 0.00 C +ATOM 2801 OE1 GLU A 172 2.514 13.224 41.973 1.00 0.00 O +ATOM 2802 OE2 GLU A 172 2.914 15.092 42.970 1.00 0.00 O +ATOM 2803 H GLU A 172 5.332 10.674 44.010 1.00 0.00 H +ATOM 2804 HA GLU A 172 3.356 11.312 46.124 1.00 0.00 H +ATOM 2805 HB2 GLU A 172 3.243 11.285 43.101 1.00 0.00 H +ATOM 2806 HB3 GLU A 172 1.809 11.511 44.101 1.00 0.00 H +ATOM 2807 HG2 GLU A 172 2.681 13.517 45.056 1.00 0.00 H +ATOM 2808 HG3 GLU A 172 4.290 13.215 44.404 1.00 0.00 H +ATOM 2809 N VAL A 173 3.723 8.413 44.944 1.00 0.00 N +ATOM 2810 CA VAL A 173 3.175 7.028 44.949 1.00 0.00 C +ATOM 2811 C VAL A 173 4.099 6.103 45.742 1.00 0.00 C +ATOM 2812 O VAL A 173 5.195 6.470 46.115 1.00 0.00 O +ATOM 2813 CB VAL A 173 3.063 6.520 43.509 1.00 0.00 C +ATOM 2814 CG1 VAL A 173 2.412 7.596 42.639 1.00 0.00 C +ATOM 2815 CG2 VAL A 173 4.460 6.202 42.969 1.00 0.00 C +ATOM 2816 H VAL A 173 4.670 8.568 44.745 1.00 0.00 H +ATOM 2817 HA VAL A 173 2.195 7.032 45.403 1.00 0.00 H +ATOM 2818 HB VAL A 173 2.458 5.626 43.490 1.00 0.00 H +ATOM 2819 HG11 VAL A 173 2.647 8.572 43.037 1.00 0.00 H +ATOM 2820 HG12 VAL A 173 1.341 7.456 42.635 1.00 0.00 H +ATOM 2821 HG13 VAL A 173 2.788 7.519 41.629 1.00 0.00 H +ATOM 2822 HG21 VAL A 173 4.498 6.427 41.914 1.00 0.00 H +ATOM 2823 HG22 VAL A 173 4.676 5.155 43.123 1.00 0.00 H +ATOM 2824 HG23 VAL A 173 5.193 6.800 43.491 1.00 0.00 H +ATOM 2825 N GLU A 174 3.661 4.900 45.995 1.00 0.00 N +ATOM 2826 CA GLU A 174 4.503 3.936 46.754 1.00 0.00 C +ATOM 2827 C GLU A 174 4.603 2.636 45.955 1.00 0.00 C +ATOM 2828 O GLU A 174 3.662 2.226 45.306 1.00 0.00 O +ATOM 2829 CB GLU A 174 3.860 3.656 48.113 1.00 0.00 C +ATOM 2830 CG GLU A 174 4.845 2.886 48.994 1.00 0.00 C +ATOM 2831 CD GLU A 174 5.806 3.870 49.665 1.00 0.00 C +ATOM 2832 OE1 GLU A 174 5.501 5.052 49.674 1.00 0.00 O +ATOM 2833 OE2 GLU A 174 6.829 3.426 50.159 1.00 0.00 O +ATOM 2834 H GLU A 174 2.776 4.628 45.677 1.00 0.00 H +ATOM 2835 HA GLU A 174 5.491 4.351 46.897 1.00 0.00 H +ATOM 2836 HB2 GLU A 174 3.605 4.591 48.590 1.00 0.00 H +ATOM 2837 HB3 GLU A 174 2.965 3.067 47.974 1.00 0.00 H +ATOM 2838 HG2 GLU A 174 4.300 2.342 49.752 1.00 0.00 H +ATOM 2839 HG3 GLU A 174 5.406 2.192 48.386 1.00 0.00 H +ATOM 2840 N LYS A 175 5.731 1.984 45.990 1.00 0.00 N +ATOM 2841 CA LYS A 175 5.878 0.716 45.223 1.00 0.00 C +ATOM 2842 C LYS A 175 5.675 -0.476 46.160 1.00 0.00 C +ATOM 2843 O LYS A 175 6.233 -1.537 45.963 1.00 0.00 O +ATOM 2844 CB LYS A 175 7.278 0.655 44.606 1.00 0.00 C +ATOM 2845 CG LYS A 175 7.742 2.075 44.270 1.00 0.00 C +ATOM 2846 CD LYS A 175 8.910 2.012 43.285 1.00 0.00 C +ATOM 2847 CE LYS A 175 9.293 3.431 42.859 1.00 0.00 C +ATOM 2848 NZ LYS A 175 10.375 3.942 43.747 1.00 0.00 N +ATOM 2849 H LYS A 175 6.482 2.324 46.518 1.00 0.00 H +ATOM 2850 HA LYS A 175 5.138 0.684 44.437 1.00 0.00 H +ATOM 2851 HB2 LYS A 175 7.965 0.209 45.309 1.00 0.00 H +ATOM 2852 HB3 LYS A 175 7.249 0.063 43.704 1.00 0.00 H +ATOM 2853 HG2 LYS A 175 6.926 2.624 43.825 1.00 0.00 H +ATOM 2854 HG3 LYS A 175 8.060 2.572 45.174 1.00 0.00 H +ATOM 2855 HD2 LYS A 175 9.756 1.537 43.759 1.00 0.00 H +ATOM 2856 HD3 LYS A 175 8.617 1.441 42.416 1.00 0.00 H +ATOM 2857 HE2 LYS A 175 9.643 3.418 41.837 1.00 0.00 H +ATOM 2858 HE3 LYS A 175 8.430 4.075 42.934 1.00 0.00 H +ATOM 2859 HZ1 LYS A 175 11.000 3.157 44.018 1.00 0.00 H +ATOM 2860 HZ2 LYS A 175 9.953 4.361 44.600 1.00 0.00 H +ATOM 2861 HZ3 LYS A 175 10.927 4.663 43.242 1.00 0.00 H +ATOM 2862 N ILE A 176 4.874 -0.309 47.177 1.00 0.00 N +ATOM 2863 CA ILE A 176 4.625 -1.429 48.128 1.00 0.00 C +ATOM 2864 C ILE A 176 5.942 -2.155 48.425 1.00 0.00 C +ATOM 2865 O ILE A 176 6.700 -1.753 49.285 1.00 0.00 O +ATOM 2866 CB ILE A 176 3.618 -2.404 47.509 1.00 0.00 C +ATOM 2867 CG1 ILE A 176 2.354 -1.643 47.108 1.00 0.00 C +ATOM 2868 CG2 ILE A 176 3.260 -3.485 48.531 1.00 0.00 C +ATOM 2869 CD1 ILE A 176 1.294 -2.634 46.619 1.00 0.00 C +ATOM 2870 H ILE A 176 4.431 0.554 47.313 1.00 0.00 H +ATOM 2871 HA ILE A 176 4.221 -1.033 49.048 1.00 0.00 H +ATOM 2872 HB ILE A 176 4.051 -2.864 46.634 1.00 0.00 H +ATOM 2873 HG12 ILE A 176 1.974 -1.100 47.960 1.00 0.00 H +ATOM 2874 HG13 ILE A 176 2.588 -0.948 46.315 1.00 0.00 H +ATOM 2875 HG21 ILE A 176 2.889 -3.019 49.432 1.00 0.00 H +ATOM 2876 HG22 ILE A 176 4.138 -4.068 48.762 1.00 0.00 H +ATOM 2877 HG23 ILE A 176 2.497 -4.130 48.120 1.00 0.00 H +ATOM 2878 HD11 ILE A 176 1.780 -3.478 46.152 1.00 0.00 H +ATOM 2879 HD12 ILE A 176 0.649 -2.148 45.903 1.00 0.00 H +ATOM 2880 HD13 ILE A 176 0.707 -2.977 47.459 1.00 0.00 H +ATOM 2881 N GLU A 177 6.221 -3.220 47.723 1.00 0.00 N +ATOM 2882 CA GLU A 177 7.487 -3.962 47.972 1.00 0.00 C +ATOM 2883 C GLU A 177 8.559 -3.487 46.989 1.00 0.00 C +ATOM 2884 O GLU A 177 8.984 -2.350 47.111 1.00 0.00 O +ATOM 2885 CB GLU A 177 7.244 -5.460 47.778 1.00 0.00 C +ATOM 2886 CG GLU A 177 8.509 -6.235 48.152 1.00 0.00 C +ATOM 2887 CD GLU A 177 8.292 -7.724 47.880 1.00 0.00 C +ATOM 2888 OE1 GLU A 177 7.221 -8.071 47.408 1.00 0.00 O +ATOM 2889 OE2 GLU A 177 9.200 -8.493 48.147 1.00 0.00 O +ATOM 2890 OXT GLU A 177 8.936 -4.269 46.131 1.00 0.00 O +ATOM 2891 H GLU A 177 5.601 -3.532 47.034 1.00 0.00 H +ATOM 2892 HA GLU A 177 7.819 -3.779 48.984 1.00 0.00 H +ATOM 2893 HB2 GLU A 177 6.428 -5.777 48.410 1.00 0.00 H +ATOM 2894 HB3 GLU A 177 6.996 -5.654 46.745 1.00 0.00 H +ATOM 2895 HG2 GLU A 177 9.338 -5.876 47.561 1.00 0.00 H +ATOM 2896 HG3 GLU A 177 8.723 -6.088 49.201 1.00 0.00 H +TER 2897 GLU A 177 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_FS_P13_2I4ZA_4M1EA/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_P13_2I4ZA_4M1EA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..34d4ba7b1e9ab43e76ef33794bb9b7ca63d04d52 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_P13_2I4ZA_4M1EA/state_a.pdb @@ -0,0 +1,2224 @@ +ATOM 1 N GLU A 207 -6.706 -10.839 28.278 1.00 52.56 N +ATOM 2 CA GLU A 207 -7.443 -11.035 26.994 1.00 51.89 C +ATOM 3 C GLU A 207 -6.735 -10.262 25.880 1.00 51.00 C +ATOM 4 O GLU A 207 -6.489 -9.049 25.983 1.00 49.67 O +ATOM 5 CB GLU A 207 -8.889 -10.542 27.141 1.00 53.68 C +ATOM 6 CG GLU A 207 -9.822 -10.814 25.955 1.00 55.78 C +ATOM 7 CD GLU A 207 -10.312 -12.254 25.903 1.00 58.27 C +ATOM 8 OE1 GLU A 207 -9.521 -13.145 25.524 1.00 58.94 O +ATOM 9 OE2 GLU A 207 -11.491 -12.494 26.253 1.00 58.31 O +ATOM 10 N SER A 208 -6.387 -10.974 24.818 1.00 47.62 N +ATOM 11 CA SER A 208 -5.722 -10.348 23.695 1.00 46.62 C +ATOM 12 C SER A 208 -6.593 -9.246 23.083 1.00 44.10 C +ATOM 13 O SER A 208 -6.096 -8.394 22.355 1.00 44.98 O +ATOM 14 CB SER A 208 -5.393 -11.400 22.639 1.00 46.83 C +ATOM 15 OG SER A 208 -6.565 -12.087 22.248 1.00 47.31 O +ATOM 16 N ALA A 209 -7.889 -9.264 23.382 1.00 41.69 N +ATOM 17 CA ALA A 209 -8.804 -8.262 22.845 1.00 39.65 C +ATOM 18 C ALA A 209 -8.507 -6.880 23.405 1.00 37.80 C +ATOM 19 O ALA A 209 -8.550 -5.897 22.681 1.00 36.80 O +ATOM 20 CB ALA A 209 -10.249 -8.642 23.151 1.00 39.49 C +ATOM 21 N ASP A 210 -8.216 -6.807 24.699 1.00 38.05 N +ATOM 22 CA ASP A 210 -7.922 -5.528 25.328 1.00 38.00 C +ATOM 23 C ASP A 210 -6.637 -4.964 24.772 1.00 36.59 C +ATOM 24 O ASP A 210 -6.499 -3.756 24.638 1.00 35.41 O +ATOM 25 CB ASP A 210 -7.787 -5.667 26.846 1.00 40.69 C +ATOM 26 CG ASP A 210 -9.126 -5.670 27.552 1.00 44.25 C +ATOM 27 OD1 ASP A 210 -10.022 -4.916 27.110 1.00 43.36 O +ATOM 28 OD2 ASP A 210 -9.275 -6.412 28.554 1.00 45.83 O +ATOM 29 N LEU A 211 -5.695 -5.848 24.457 1.00 35.89 N +ATOM 30 CA LEU A 211 -4.413 -5.423 23.914 1.00 37.61 C +ATOM 31 C LEU A 211 -4.550 -4.801 22.513 1.00 37.91 C +ATOM 32 O LEU A 211 -3.824 -3.858 22.187 1.00 40.15 O +ATOM 33 CB LEU A 211 -3.426 -6.604 23.892 1.00 35.80 C +ATOM 34 CG LEU A 211 -3.035 -7.193 25.260 1.00 36.15 C +ATOM 35 CD1 LEU A 211 -2.079 -8.367 25.071 1.00 33.57 C +ATOM 36 CD2 LEU A 211 -2.393 -6.122 26.140 1.00 33.20 C +ATOM 37 N ARG A 212 -5.483 -5.310 21.700 1.00 36.34 N +ATOM 38 CA ARG A 212 -5.704 -4.786 20.346 1.00 34.84 C +ATOM 39 C ARG A 212 -6.374 -3.420 20.418 1.00 35.96 C +ATOM 40 O ARG A 212 -6.135 -2.548 19.571 1.00 34.88 O +ATOM 41 CB ARG A 212 -6.589 -5.736 19.524 1.00 34.83 C +ATOM 42 CG ARG A 212 -5.963 -7.089 19.278 1.00 37.22 C +ATOM 43 CD ARG A 212 -4.556 -6.917 18.721 1.00 39.63 C +ATOM 44 NE ARG A 212 -4.553 -6.405 17.351 1.00 41.13 N +ATOM 45 CZ ARG A 212 -3.582 -5.657 16.835 1.00 41.78 C +ATOM 46 NH1 ARG A 212 -2.531 -5.320 17.574 1.00 41.99 N +ATOM 47 NH2 ARG A 212 -3.652 -5.259 15.575 1.00 43.41 N +ATOM 48 N ALA A 213 -7.222 -3.247 21.429 1.00 33.75 N +ATOM 49 CA ALA A 213 -7.920 -1.983 21.632 1.00 35.64 C +ATOM 50 C ALA A 213 -6.879 -0.941 22.025 1.00 34.68 C +ATOM 51 O ALA A 213 -6.938 0.207 21.586 1.00 35.38 O +ATOM 52 CB ALA A 213 -8.971 -2.130 22.744 1.00 33.23 C +ATOM 53 N LEU A 214 -5.925 -1.356 22.856 1.00 34.80 N +ATOM 54 CA LEU A 214 -4.855 -0.472 23.304 1.00 33.87 C +ATOM 55 C LEU A 214 -4.022 -0.064 22.100 1.00 32.32 C +ATOM 56 O LEU A 214 -3.667 1.104 21.952 1.00 31.81 O +ATOM 57 CB LEU A 214 -3.962 -1.184 24.327 1.00 33.62 C +ATOM 58 CG LEU A 214 -2.746 -0.404 24.842 1.00 32.49 C +ATOM 59 CD1 LEU A 214 -3.197 0.957 25.385 1.00 31.22 C +ATOM 60 CD2 LEU A 214 -2.049 -1.211 25.941 1.00 31.34 C +ATOM 61 N ALA A 215 -3.723 -1.035 21.239 1.00 30.26 N +ATOM 62 CA ALA A 215 -2.922 -0.785 20.039 1.00 30.93 C +ATOM 63 C ALA A 215 -3.571 0.250 19.129 1.00 32.61 C +ATOM 64 O ALA A 215 -2.898 1.145 18.616 1.00 31.20 O +ATOM 65 CB ALA A 215 -2.708 -2.084 19.273 1.00 26.38 C +ATOM 66 N ALYS A 216 -4.878 0.115 18.922 0.50 33.61 N +ATOM 67 N BLYS A 216 -4.879 0.118 18.924 0.50 33.65 N +ATOM 68 CA ALYS A 216 -5.610 1.044 18.075 0.50 34.58 C +ATOM 69 CA BLYS A 216 -5.611 1.051 18.079 0.50 34.66 C +ATOM 70 C ALYS A 216 -5.612 2.437 18.693 0.50 33.71 C +ATOM 71 C BLYS A 216 -5.602 2.440 18.695 0.50 33.76 C +ATOM 72 O ALYS A 216 -5.440 3.432 17.994 0.50 32.43 O +ATOM 73 O BLYS A 216 -5.417 3.435 17.998 0.50 32.51 O +ATOM 74 CB ALYS A 216 -7.056 0.574 17.873 0.50 36.35 C +ATOM 75 CB BLYS A 216 -7.064 0.602 17.900 0.50 36.50 C +ATOM 76 CG ALYS A 216 -7.307 -0.214 16.591 0.50 37.89 C +ATOM 77 CG BLYS A 216 -7.343 -0.220 16.656 0.50 38.10 C +ATOM 78 CD ALYS A 216 -7.056 -1.703 16.752 0.50 39.70 C +ATOM 79 CD BLYS A 216 -7.159 -1.701 16.895 0.50 39.85 C +ATOM 80 CE ALYS A 216 -7.528 -2.462 15.513 0.50 41.00 C +ATOM 81 CE BLYS A 216 -7.992 -2.489 15.903 0.50 41.40 C +ATOM 82 NZ ALYS A 216 -7.527 -3.942 15.699 0.50 41.20 N +ATOM 83 NZ BLYS A 216 -9.424 -2.091 16.011 0.50 40.37 N +ATOM 84 N HIS A 217 -5.814 2.500 20.006 1.00 33.00 N +ATOM 85 CA HIS A 217 -5.829 3.773 20.712 1.00 33.48 C +ATOM 86 C HIS A 217 -4.506 4.515 20.506 1.00 33.39 C +ATOM 87 O HIS A 217 -4.491 5.676 20.092 1.00 33.13 O +ATOM 88 CB HIS A 217 -6.079 3.551 22.207 1.00 36.09 C +ATOM 89 CG HIS A 217 -5.822 4.766 23.042 1.00 38.04 C +ATOM 90 ND1 HIS A 217 -6.568 5.918 22.926 1.00 40.34 N +ATOM 91 CD2 HIS A 217 -4.870 5.028 23.968 1.00 39.39 C +ATOM 92 CE1 HIS A 217 -6.087 6.838 23.744 1.00 40.80 C +ATOM 93 NE2 HIS A 217 -5.056 6.323 24.386 1.00 41.39 N +ATOM 94 N LEU A 218 -3.399 3.832 20.785 1.00 32.43 N +ATOM 95 CA LEU A 218 -2.065 4.414 20.636 1.00 31.28 C +ATOM 96 C LEU A 218 -1.759 4.841 19.187 1.00 29.88 C +ATOM 97 O LEU A 218 -1.179 5.909 18.953 1.00 28.54 O +ATOM 98 CB LEU A 218 -1.007 3.408 21.130 1.00 30.86 C +ATOM 99 CG LEU A 218 -0.995 3.064 22.632 1.00 31.61 C +ATOM 100 CD1 LEU A 218 -0.097 1.870 22.875 1.00 25.35 C +ATOM 101 CD2 LEU A 218 -0.501 4.268 23.454 1.00 30.81 C +ATOM 102 N TYR A 219 -2.144 4.017 18.218 1.00 28.81 N +ATOM 103 CA TYR A 219 -1.899 4.346 16.807 1.00 32.13 C +ATOM 104 C TYR A 219 -2.652 5.620 16.428 1.00 32.68 C +ATOM 105 O TYR A 219 -2.153 6.484 15.703 1.00 32.18 O +ATOM 106 CB TYR A 219 -2.346 3.190 15.905 1.00 32.11 C +ATOM 107 CG TYR A 219 -2.217 3.481 14.428 1.00 35.27 C +ATOM 108 CD1 TYR A 219 -1.069 4.069 13.913 1.00 37.93 C +ATOM 109 CD2 TYR A 219 -3.240 3.156 13.539 1.00 39.13 C +ATOM 110 CE1 TYR A 219 -0.940 4.332 12.543 1.00 40.48 C +ATOM 111 CE2 TYR A 219 -3.122 3.412 12.168 1.00 41.12 C +ATOM 112 CZ TYR A 219 -1.968 4.002 11.682 1.00 41.70 C +ATOM 113 OH TYR A 219 -1.844 4.274 10.337 1.00 46.95 O +ATOM 114 N ASP A 220 -3.868 5.712 16.943 1.00 34.33 N +ATOM 115 CA ASP A 220 -4.746 6.839 16.723 1.00 34.08 C +ATOM 116 C ASP A 220 -4.121 8.134 17.269 1.00 34.37 C +ATOM 117 O ASP A 220 -4.122 9.171 16.587 1.00 32.21 O +ATOM 118 CB ASP A 220 -6.061 6.546 17.432 1.00 38.41 C +ATOM 119 CG ASP A 220 -7.155 7.455 17.009 1.00 41.88 C +ATOM 120 OD1 ASP A 220 -7.543 7.368 15.828 1.00 45.93 O +ATOM 121 OD2 ASP A 220 -7.621 8.251 17.857 1.00 44.42 O +ATOM 122 N SER A 221 -3.594 8.068 18.497 1.00 31.38 N +ATOM 123 CA SER A 221 -2.966 9.225 19.142 1.00 31.18 C +ATOM 124 C SER A 221 -1.693 9.632 18.433 1.00 29.96 C +ATOM 125 O SER A 221 -1.316 10.801 18.430 1.00 31.59 O +ATOM 126 CB SER A 221 -2.610 8.912 20.593 1.00 30.36 C +ATOM 127 OG SER A 221 -3.737 8.458 21.300 1.00 33.89 O +ATOM 128 N TYR A 222 -1.022 8.638 17.866 1.00 28.65 N +ATOM 129 CA TYR A 222 0.221 8.823 17.132 1.00 28.93 C +ATOM 130 C TYR A 222 -0.065 9.623 15.854 1.00 28.67 C +ATOM 131 O TYR A 222 0.640 10.584 15.549 1.00 29.22 O +ATOM 132 CB TYR A 222 0.799 7.436 16.811 1.00 26.63 C +ATOM 133 CG TYR A 222 2.002 7.376 15.900 1.00 24.02 C +ATOM 134 CD1 TYR A 222 3.291 7.222 16.420 1.00 21.66 C +ATOM 135 CD2 TYR A 222 1.844 7.359 14.513 1.00 24.19 C +ATOM 136 CE1 TYR A 222 4.391 7.041 15.583 1.00 19.83 C +ATOM 137 CE2 TYR A 222 2.947 7.177 13.657 1.00 23.47 C +ATOM 138 CZ TYR A 222 4.213 7.016 14.198 1.00 23.67 C +ATOM 139 OH TYR A 222 5.302 6.826 13.354 1.00 22.47 O +ATOM 140 N ILE A 223 -1.097 9.234 15.114 1.00 28.51 N +ATOM 141 CA ILE A 223 -1.443 9.952 13.890 1.00 32.22 C +ATOM 142 C ILE A 223 -1.804 11.398 14.220 1.00 33.71 C +ATOM 143 O ILE A 223 -1.428 12.321 13.513 1.00 36.51 O +ATOM 144 CB ILE A 223 -2.657 9.328 13.167 1.00 34.36 C +ATOM 145 CG1 ILE A 223 -2.331 7.910 12.700 1.00 34.31 C +ATOM 146 CG2 ILE A 223 -3.039 10.200 11.949 1.00 34.82 C +ATOM 147 CD1 ILE A 223 -1.207 7.854 11.683 1.00 39.44 C +ATOM 148 N LYS A 224 -2.535 11.582 15.308 1.00 34.16 N +ATOM 149 CA LYS A 224 -2.964 12.896 15.727 1.00 34.52 C +ATOM 150 C LYS A 224 -1.850 13.765 16.302 1.00 35.01 C +ATOM 151 O LYS A 224 -1.954 14.990 16.297 1.00 36.23 O +ATOM 152 CB LYS A 224 -4.100 12.738 16.740 1.00 34.56 C +ATOM 153 CG LYS A 224 -5.300 11.966 16.153 1.00 37.41 C +ATOM 154 CD LYS A 224 -6.396 11.667 17.188 1.00 35.72 C +ATOM 155 CE LYS A 224 -7.526 10.872 16.547 1.00 33.91 C +ATOM 156 NZ LYS A 224 -8.632 10.548 17.495 1.00 37.28 N +ATOM 157 N SER A 225 -0.773 13.151 16.781 1.00 34.50 N +ATOM 158 CA SER A 225 0.307 13.932 17.370 1.00 32.55 C +ATOM 159 C SER A 225 1.483 14.203 16.452 1.00 32.49 C +ATOM 160 O SER A 225 2.194 15.182 16.632 1.00 31.72 O +ATOM 161 CB SER A 225 0.812 13.246 18.644 1.00 34.50 C +ATOM 162 OG SER A 225 -0.218 13.143 19.611 1.00 35.77 O +ATOM 163 N PHE A 226 1.692 13.337 15.467 1.00 33.15 N +ATOM 164 CA PHE A 226 2.817 13.485 14.558 1.00 33.34 C +ATOM 165 C PHE A 226 2.360 13.791 13.133 1.00 34.05 C +ATOM 166 O PHE A 226 1.766 12.954 12.471 1.00 35.85 O +ATOM 167 CB PHE A 226 3.670 12.213 14.606 1.00 30.51 C +ATOM 168 CG PHE A 226 4.168 11.871 15.999 1.00 31.79 C +ATOM 169 CD1 PHE A 226 5.093 12.698 16.649 1.00 30.28 C +ATOM 170 CD2 PHE A 226 3.674 10.758 16.677 1.00 29.36 C +ATOM 171 CE1 PHE A 226 5.516 12.426 17.958 1.00 30.59 C +ATOM 172 CE2 PHE A 226 4.087 10.470 17.991 1.00 30.96 C +ATOM 173 CZ PHE A 226 5.009 11.307 18.635 1.00 29.27 C +ATOM 174 N PRO A 227 2.640 15.013 12.649 1.00 36.33 N +ATOM 175 CA PRO A 227 2.284 15.508 11.311 1.00 36.46 C +ATOM 176 C PRO A 227 2.853 14.693 10.166 1.00 34.28 C +ATOM 177 O PRO A 227 2.207 14.533 9.143 1.00 35.25 O +ATOM 178 CB PRO A 227 2.843 16.931 11.301 1.00 36.62 C +ATOM 179 CG PRO A 227 2.821 17.311 12.742 1.00 41.08 C +ATOM 180 CD PRO A 227 3.337 16.062 13.408 1.00 37.70 C +ATOM 181 N LEU A 228 4.070 14.194 10.331 1.00 31.71 N +ATOM 182 CA LEU A 228 4.690 13.422 9.272 1.00 32.25 C +ATOM 183 C LEU A 228 4.915 11.967 9.698 1.00 31.26 C +ATOM 184 O LEU A 228 5.881 11.660 10.394 1.00 29.45 O +ATOM 185 CB LEU A 228 6.014 14.082 8.854 1.00 30.45 C +ATOM 186 CG LEU A 228 6.806 13.360 7.749 1.00 34.58 C +ATOM 187 CD1 LEU A 228 5.943 13.199 6.503 1.00 30.99 C +ATOM 188 CD2 LEU A 228 8.075 14.148 7.414 1.00 31.76 C +ATOM 189 N THR A 229 4.010 11.084 9.276 1.00 29.01 N +ATOM 190 CA THR A 229 4.094 9.662 9.600 1.00 27.39 C +ATOM 191 C THR A 229 5.154 9.009 8.721 1.00 26.56 C +ATOM 192 O THR A 229 5.662 9.625 7.794 1.00 27.62 O +ATOM 193 CB THR A 229 2.769 8.933 9.312 1.00 25.55 C +ATOM 194 OG1 THR A 229 2.458 9.069 7.927 1.00 27.12 O +ATOM 195 CG2 THR A 229 1.637 9.511 10.114 1.00 28.00 C +ATOM 196 N LYS A 230 5.492 7.761 9.019 1.00 25.54 N +ATOM 197 CA LYS A 230 6.461 7.030 8.206 1.00 24.57 C +ATOM 198 C LYS A 230 5.821 6.735 6.846 1.00 22.17 C +ATOM 199 O LYS A 230 6.488 6.779 5.822 1.00 22.85 O +ATOM 200 CB LYS A 230 6.853 5.710 8.887 1.00 22.66 C +ATOM 201 CG LYS A 230 7.814 4.859 8.069 1.00 23.42 C +ATOM 202 CD LYS A 230 8.300 3.627 8.848 1.00 21.79 C +ATOM 203 CE LYS A 230 9.286 2.827 8.001 1.00 24.99 C +ATOM 204 NZ LYS A 230 9.829 1.630 8.711 1.00 29.36 N +ATOM 205 N ALA A 231 4.522 6.444 6.841 1.00 24.23 N +ATOM 206 CA ALA A 231 3.819 6.145 5.591 1.00 23.42 C +ATOM 207 C ALA A 231 3.960 7.307 4.616 1.00 22.08 C +ATOM 208 O ALA A 231 4.249 7.107 3.432 1.00 24.09 O +ATOM 209 CB ALA A 231 2.342 5.857 5.872 1.00 23.31 C +ATOM 210 N LYS A 232 3.763 8.525 5.110 1.00 24.62 N +ATOM 211 CA LYS A 232 3.904 9.719 4.268 1.00 26.76 C +ATOM 212 C LYS A 232 5.371 9.870 3.895 1.00 25.63 C +ATOM 213 O LYS A 232 5.703 10.175 2.752 1.00 25.63 O +ATOM 214 CB LYS A 232 3.440 10.961 5.028 1.00 31.18 C +ATOM 215 CG LYS A 232 3.505 12.267 4.252 1.00 32.73 C +ATOM 216 CD LYS A 232 2.194 13.018 4.443 1.00 38.23 C +ATOM 217 CE LYS A 232 2.388 14.519 4.604 1.00 40.71 C +ATOM 218 NZ LYS A 232 2.932 15.151 3.398 1.00 41.42 N +ATOM 219 N ALA A 233 6.257 9.644 4.861 1.00 25.66 N +ATOM 220 CA ALA A 233 7.688 9.744 4.592 1.00 27.38 C +ATOM 221 C ALA A 233 8.146 8.799 3.464 1.00 27.95 C +ATOM 222 O ALA A 233 8.861 9.224 2.554 1.00 28.96 O +ATOM 223 CB ALA A 233 8.493 9.468 5.877 1.00 29.09 C +ATOM 224 N AARG A 234 7.751 7.530 3.519 0.50 26.99 N +ATOM 225 N BARG A 234 7.730 7.536 3.526 0.50 27.28 N +ATOM 226 CA AARG A 234 8.167 6.594 2.478 0.50 28.77 C +ATOM 227 CA BARG A 234 8.105 6.559 2.503 0.50 29.34 C +ATOM 228 C AARG A 234 7.513 6.922 1.134 0.50 29.13 C +ATOM 229 C BARG A 234 7.507 6.915 1.148 0.50 29.44 C +ATOM 230 O AARG A 234 8.113 6.703 0.086 0.50 30.83 O +ATOM 231 O BARG A 234 8.136 6.712 0.113 0.50 31.09 O +ATOM 232 CB AARG A 234 7.851 5.139 2.872 0.50 28.70 C +ATOM 233 CB BARG A 234 7.634 5.141 2.878 0.50 29.63 C +ATOM 234 CG AARG A 234 8.287 4.729 4.290 0.50 28.50 C +ATOM 235 CG BARG A 234 8.103 4.621 4.232 0.50 30.38 C +ATOM 236 CD AARG A 234 9.598 5.380 4.771 0.50 28.80 C +ATOM 237 CD BARG A 234 9.561 4.950 4.503 0.50 31.84 C +ATOM 238 NE AARG A 234 10.775 5.001 3.989 0.50 29.15 N +ATOM 239 NE BARG A 234 10.428 4.705 3.353 0.50 32.58 N +ATOM 240 CZ AARG A 234 12.036 5.222 4.369 0.50 26.59 C +ATOM 241 CZ BARG A 234 10.580 3.528 2.760 0.50 32.37 C +ATOM 242 NH1AARG A 234 12.297 5.813 5.522 0.50 20.52 N +ATOM 243 NH1BARG A 234 9.915 2.470 3.203 0.50 35.68 N +ATOM 244 NH2AARG A 234 13.042 4.862 3.584 0.50 26.13 N +ATOM 245 NH2BARG A 234 11.404 3.407 1.730 0.50 30.05 N +ATOM 246 N ALA A 235 6.290 7.445 1.157 1.00 27.94 N +ATOM 247 CA ALA A 235 5.613 7.807 -0.089 1.00 29.92 C +ATOM 248 C ALA A 235 6.397 8.924 -0.786 1.00 32.32 C +ATOM 249 O ALA A 235 6.534 8.940 -2.014 1.00 34.25 O +ATOM 250 CB ALA A 235 4.180 8.258 0.192 1.00 26.91 C +ATOM 251 N ILE A 236 6.911 9.863 -0.001 1.00 31.64 N +ATOM 252 CA ILE A 236 7.686 10.956 -0.568 1.00 32.26 C +ATOM 253 C ILE A 236 9.032 10.420 -1.060 1.00 34.02 C +ATOM 254 O ILE A 236 9.482 10.766 -2.148 1.00 34.04 O +ATOM 255 CB ILE A 236 7.955 12.055 0.490 1.00 33.14 C +ATOM 256 CG1 ILE A 236 6.634 12.697 0.931 1.00 34.01 C +ATOM 257 CG2 ILE A 236 8.918 13.096 -0.069 1.00 29.94 C +ATOM 258 CD1 ILE A 236 6.786 13.731 2.083 1.00 32.81 C +ATOM 259 N LEU A 237 9.662 9.567 -0.254 1.00 34.17 N +ATOM 260 CA LEU A 237 10.974 9.007 -0.584 1.00 35.34 C +ATOM 261 C LEU A 237 11.016 8.054 -1.768 1.00 36.77 C +ATOM 262 O LEU A 237 11.928 8.122 -2.586 1.00 35.86 O +ATOM 263 CB LEU A 237 11.563 8.285 0.634 1.00 32.56 C +ATOM 264 CG LEU A 237 12.044 9.150 1.793 1.00 33.19 C +ATOM 265 CD1 LEU A 237 12.444 8.256 2.971 1.00 32.97 C +ATOM 266 CD2 LEU A 237 13.215 10.010 1.333 1.00 31.44 C +ATOM 267 N THR A 238 10.036 7.159 -1.846 1.00 39.69 N +ATOM 268 CA THR A 238 9.988 6.166 -2.908 1.00 41.65 C +ATOM 269 C THR A 238 9.361 6.735 -4.160 1.00 45.06 C +ATOM 270 O THR A 238 9.000 6.002 -5.077 1.00 45.42 O +ATOM 271 CB THR A 238 9.199 4.929 -2.463 1.00 41.71 C +ATOM 272 OG1 THR A 238 7.835 5.293 -2.202 1.00 44.45 O +ATOM 273 CG2 THR A 238 9.809 4.349 -1.198 1.00 40.37 C +ATOM 274 N GLY A 239 9.237 8.057 -4.180 1.00 48.36 N +ATOM 275 CA GLY A 239 8.674 8.747 -5.322 1.00 51.18 C +ATOM 276 C GLY A 239 7.427 8.139 -5.938 1.00 54.11 C +ATOM 277 O GLY A 239 6.396 7.961 -5.282 1.00 53.93 O +ATOM 278 N LYS A 240 7.530 7.816 -7.221 1.00 57.17 N +ATOM 279 CA LYS A 240 6.409 7.259 -7.959 1.00 60.17 C +ATOM 280 C LYS A 240 5.270 8.251 -7.808 1.00 60.62 C +ATOM 281 O LYS A 240 4.111 7.945 -8.089 1.00 61.74 O +ATOM 282 CB LYS A 240 6.012 5.886 -7.406 1.00 61.02 C +ATOM 283 CG LYS A 240 4.892 5.201 -8.194 1.00 62.89 C +ATOM 284 CD LYS A 240 5.024 5.455 -9.697 1.00 63.48 C +ATOM 285 CE LYS A 240 6.352 4.952 -10.257 1.00 64.88 C +ATOM 286 NZ LYS A 240 6.592 5.438 -11.646 1.00 64.00 N +ATOM 287 N THR A 241 5.632 9.452 -7.365 1.00 60.73 N +ATOM 288 CA THR A 241 4.685 10.538 -7.159 1.00 60.73 C +ATOM 289 C THR A 241 5.126 11.774 -7.921 1.00 60.83 C +ATOM 290 O THR A 241 6.292 11.913 -8.292 1.00 60.85 O +ATOM 291 CB THR A 241 4.557 10.908 -5.661 1.00 60.53 C +ATOM 292 OG1 THR A 241 5.863 11.110 -5.094 1.00 60.63 O +ATOM 293 CG2 THR A 241 3.828 9.805 -4.907 1.00 57.20 C +ATOM 294 N THR A 242 4.173 12.668 -8.144 1.00 60.03 N +ATOM 295 CA THR A 242 4.414 13.916 -8.850 1.00 60.26 C +ATOM 296 C THR A 242 3.967 15.039 -7.928 1.00 59.06 C +ATOM 297 O THR A 242 4.357 16.193 -8.081 1.00 59.54 O +ATOM 298 CB THR A 242 3.568 13.975 -10.136 1.00 60.55 C +ATOM 299 OG1 THR A 242 3.987 12.936 -11.026 1.00 64.13 O +ATOM 300 CG2 THR A 242 3.715 15.320 -10.819 1.00 60.96 C +ATOM 301 N ASP A 243 3.145 14.660 -6.959 1.00 57.51 N +ATOM 302 CA ASP A 243 2.555 15.572 -5.991 1.00 56.16 C +ATOM 303 C ASP A 243 3.446 15.976 -4.813 1.00 53.55 C +ATOM 304 O ASP A 243 3.418 17.126 -4.373 1.00 54.12 O +ATOM 305 CB ASP A 243 1.267 14.927 -5.462 1.00 58.33 C +ATOM 306 CG ASP A 243 0.505 15.826 -4.526 1.00 62.88 C +ATOM 307 OD1 ASP A 243 0.139 16.946 -4.950 1.00 66.46 O +ATOM 308 OD2 ASP A 243 0.261 15.412 -3.370 1.00 64.59 O +ATOM 309 N ALYS A 244 4.239 15.034 -4.311 0.50 52.10 N +ATOM 310 N BLYS A 244 4.237 15.032 -4.309 0.50 52.27 N +ATOM 311 CA ALYS A 244 5.097 15.307 -3.167 0.50 49.23 C +ATOM 312 CA BLYS A 244 5.095 15.306 -3.167 0.50 49.53 C +ATOM 313 C ALYS A 244 6.579 15.000 -3.327 0.50 47.33 C +ATOM 314 C BLYS A 244 6.578 14.998 -3.327 0.50 47.52 C +ATOM 315 O ALYS A 244 7.196 14.432 -2.427 0.50 46.76 O +ATOM 316 O BLYS A 244 7.193 14.427 -2.429 0.50 46.93 O +ATOM 317 CB ALYS A 244 4.570 14.562 -1.940 0.50 49.97 C +ATOM 318 CB BLYS A 244 4.565 14.572 -1.932 0.50 50.59 C +ATOM 319 CG ALYS A 244 4.213 13.108 -2.187 0.50 47.28 C +ATOM 320 CG BLYS A 244 4.204 13.109 -2.152 0.50 48.44 C +ATOM 321 CD ALYS A 244 2.730 12.958 -2.451 0.50 45.67 C +ATOM 322 CD BLYS A 244 2.764 12.964 -2.610 0.50 47.13 C +ATOM 323 CE ALYS A 244 2.140 11.850 -1.587 0.50 44.82 C +ATOM 324 CE BLYS A 244 2.053 11.859 -1.837 0.50 46.63 C +ATOM 325 NZ ALYS A 244 2.359 12.079 -0.126 0.50 38.13 N +ATOM 326 NZ BLYS A 244 0.626 11.713 -2.251 0.50 40.90 N +ATOM 327 N SER A 245 7.154 15.380 -4.460 1.00 45.90 N +ATOM 328 CA SER A 245 8.575 15.156 -4.693 1.00 44.44 C +ATOM 329 C SER A 245 9.261 16.326 -3.993 1.00 40.38 C +ATOM 330 O SER A 245 8.837 17.471 -4.146 1.00 38.64 O +ATOM 331 CB SER A 245 8.884 15.164 -6.195 1.00 47.66 C +ATOM 332 OG SER A 245 8.412 16.350 -6.807 1.00 50.79 O +ATOM 333 N PRO A 246 10.318 16.054 -3.204 1.00 36.63 N +ATOM 334 CA PRO A 246 11.066 17.078 -2.463 1.00 34.36 C +ATOM 335 C PRO A 246 12.208 17.748 -3.208 1.00 33.83 C +ATOM 336 O PRO A 246 12.700 17.225 -4.207 1.00 31.08 O +ATOM 337 CB PRO A 246 11.597 16.299 -1.275 1.00 35.16 C +ATOM 338 CG PRO A 246 11.992 14.997 -1.932 1.00 35.26 C +ATOM 339 CD PRO A 246 10.802 14.705 -2.851 1.00 35.60 C +ATOM 340 N PHE A 247 12.625 18.910 -2.710 1.00 33.16 N +ATOM 341 CA PHE A 247 13.758 19.613 -3.291 1.00 32.97 C +ATOM 342 C PHE A 247 14.953 18.997 -2.576 1.00 31.72 C +ATOM 343 O PHE A 247 14.937 18.847 -1.358 1.00 31.33 O +ATOM 344 CB PHE A 247 13.725 21.115 -2.991 1.00 35.60 C +ATOM 345 CG PHE A 247 14.856 21.873 -3.630 1.00 36.20 C +ATOM 346 CD1 PHE A 247 14.878 22.083 -5.007 1.00 38.22 C +ATOM 347 CD2 PHE A 247 15.927 22.322 -2.870 1.00 39.19 C +ATOM 348 CE1 PHE A 247 15.951 22.726 -5.623 1.00 36.87 C +ATOM 349 CE2 PHE A 247 17.013 22.970 -3.476 1.00 40.03 C +ATOM 350 CZ PHE A 247 17.021 23.170 -4.857 1.00 39.82 C +ATOM 351 N VAL A 248 15.992 18.657 -3.325 1.00 30.57 N +ATOM 352 CA VAL A 248 17.164 18.020 -2.750 1.00 30.42 C +ATOM 353 C VAL A 248 18.349 18.957 -2.492 1.00 32.81 C +ATOM 354 O VAL A 248 18.848 19.619 -3.413 1.00 31.10 O +ATOM 355 CB VAL A 248 17.619 16.852 -3.658 1.00 28.20 C +ATOM 356 CG1 VAL A 248 18.931 16.310 -3.204 1.00 25.87 C +ATOM 357 CG2 VAL A 248 16.565 15.746 -3.646 1.00 30.64 C +ATOM 358 N ILE A 249 18.777 19.006 -1.229 1.00 32.25 N +ATOM 359 CA ILE A 249 19.922 19.811 -0.814 1.00 34.31 C +ATOM 360 C ILE A 249 21.115 18.858 -0.756 1.00 33.44 C +ATOM 361 O ILE A 249 21.140 17.935 0.059 1.00 32.83 O +ATOM 362 CB ILE A 249 19.742 20.423 0.602 1.00 37.01 C +ATOM 363 CG1 ILE A 249 18.444 21.233 0.688 1.00 37.88 C +ATOM 364 CG2 ILE A 249 20.947 21.319 0.927 1.00 35.90 C +ATOM 365 CD1 ILE A 249 18.374 22.376 -0.288 1.00 38.84 C +ATOM 366 N TYR A 250 22.102 19.089 -1.614 1.00 35.52 N +ATOM 367 CA TYR A 250 23.288 18.239 -1.680 1.00 35.96 C +ATOM 368 C TYR A 250 24.581 19.056 -1.700 1.00 36.46 C +ATOM 369 O TYR A 250 25.675 18.491 -1.735 1.00 34.18 O +ATOM 370 CB TYR A 250 23.214 17.368 -2.932 1.00 36.08 C +ATOM 371 CG TYR A 250 23.294 18.154 -4.226 1.00 37.37 C +ATOM 372 CD1 TYR A 250 24.513 18.331 -4.886 1.00 37.85 C +ATOM 373 CD2 TYR A 250 22.152 18.714 -4.792 1.00 38.78 C +ATOM 374 CE1 TYR A 250 24.587 19.042 -6.076 1.00 38.68 C +ATOM 375 CE2 TYR A 250 22.213 19.432 -5.989 1.00 39.40 C +ATOM 376 CZ TYR A 250 23.432 19.591 -6.624 1.00 41.64 C +ATOM 377 OH TYR A 250 23.496 20.302 -7.802 1.00 42.70 O +ATOM 378 N ASP A 251 24.449 20.381 -1.706 1.00 37.94 N +ATOM 379 CA ASP A 251 25.606 21.275 -1.705 1.00 40.96 C +ATOM 380 C ASP A 251 25.185 22.699 -1.385 1.00 42.83 C +ATOM 381 O ASP A 251 23.991 23.006 -1.359 1.00 42.51 O +ATOM 382 CB ASP A 251 26.364 21.226 -3.045 1.00 40.96 C +ATOM 383 CG ASP A 251 25.537 21.726 -4.237 1.00 44.45 C +ATOM 384 OD1 ASP A 251 24.502 22.412 -4.057 1.00 44.12 O +ATOM 385 OD2 ASP A 251 25.953 21.439 -5.379 1.00 44.36 O +ATOM 386 N MET A 252 26.165 23.562 -1.128 1.00 46.44 N +ATOM 387 CA MET A 252 25.897 24.957 -0.780 1.00 48.52 C +ATOM 388 C MET A 252 24.955 25.629 -1.762 1.00 49.19 C +ATOM 389 O MET A 252 24.035 26.347 -1.368 1.00 49.26 O +ATOM 390 CB MET A 252 27.205 25.759 -0.715 1.00 52.74 C +ATOM 391 CG MET A 252 28.177 25.307 0.368 1.00 55.35 C +ATOM 392 SD MET A 252 27.390 25.181 1.990 1.00 60.56 S +ATOM 393 CE MET A 252 27.035 26.916 2.331 1.00 60.76 C +ATOM 394 N ASN A 253 25.186 25.388 -3.045 1.00 49.94 N +ATOM 395 CA ASN A 253 24.370 25.988 -4.081 1.00 50.76 C +ATOM 396 C ASN A 253 22.915 25.575 -3.942 1.00 50.27 C +ATOM 397 O ASN A 253 22.015 26.424 -3.929 1.00 49.91 O +ATOM 398 CB ASN A 253 24.891 25.580 -5.455 1.00 55.79 C +ATOM 399 CG ASN A 253 24.824 26.709 -6.453 1.00 58.95 C +ATOM 400 OD1 ASN A 253 25.638 27.638 -6.413 1.00 60.04 O +ATOM 401 ND2 ASN A 253 23.842 26.646 -7.353 1.00 60.25 N +ATOM 402 N SER A 254 22.677 24.269 -3.857 1.00 48.02 N +ATOM 403 CA SER A 254 21.316 23.783 -3.716 1.00 46.86 C +ATOM 404 C SER A 254 20.757 24.217 -2.359 1.00 46.54 C +ATOM 405 O SER A 254 19.549 24.393 -2.204 1.00 42.84 O +ATOM 406 CB SER A 254 21.265 22.257 -3.880 1.00 46.80 C +ATOM 407 OG SER A 254 22.300 21.610 -3.161 1.00 47.26 O +ATOM 408 N LEU A 255 21.638 24.408 -1.381 1.00 47.82 N +ATOM 409 CA LEU A 255 21.187 24.850 -0.066 1.00 50.79 C +ATOM 410 C LEU A 255 20.576 26.237 -0.244 1.00 52.20 C +ATOM 411 O LEU A 255 19.536 26.546 0.335 1.00 50.59 O +ATOM 412 CB LEU A 255 22.359 24.910 0.925 1.00 50.25 C +ATOM 413 CG LEU A 255 22.031 25.465 2.319 1.00 51.73 C +ATOM 414 CD1 LEU A 255 21.041 24.567 3.037 1.00 51.85 C +ATOM 415 CD2 LEU A 255 23.295 25.576 3.122 1.00 51.10 C +ATOM 416 N MET A 256 21.227 27.064 -1.060 1.00 55.50 N +ATOM 417 CA MET A 256 20.742 28.416 -1.334 1.00 60.36 C +ATOM 418 C MET A 256 19.348 28.354 -1.955 1.00 61.38 C +ATOM 419 O MET A 256 18.386 28.896 -1.405 1.00 61.45 O +ATOM 420 CB MET A 256 21.687 29.145 -2.295 1.00 63.67 C +ATOM 421 CG MET A 256 23.038 29.515 -1.714 1.00 67.70 C +ATOM 422 SD MET A 256 24.122 30.274 -2.955 1.00 73.23 S +ATOM 423 CE MET A 256 25.314 28.963 -3.223 1.00 72.66 C +ATOM 424 N MET A 257 19.249 27.693 -3.104 1.00 62.31 N +ATOM 425 CA MET A 257 17.976 27.545 -3.803 1.00 65.14 C +ATOM 426 C MET A 257 16.886 27.046 -2.855 1.00 65.39 C +ATOM 427 O MET A 257 15.705 27.335 -3.049 1.00 64.48 O +ATOM 428 CB MET A 257 18.132 26.566 -4.971 1.00 67.52 C +ATOM 429 CG MET A 257 19.027 27.070 -6.100 1.00 71.20 C +ATOM 430 SD MET A 257 18.106 27.837 -7.458 1.00 74.11 S +ATOM 431 CE MET A 257 17.854 26.403 -8.498 1.00 74.82 C +ATOM 432 N GLY A 258 17.301 26.301 -1.830 1.00 65.81 N +ATOM 433 CA GLY A 258 16.375 25.761 -0.848 1.00 66.05 C +ATOM 434 C GLY A 258 15.403 26.747 -0.216 1.00 66.59 C +ATOM 435 O GLY A 258 14.203 26.482 -0.167 1.00 65.29 O +ATOM 436 N GLU A 259 15.900 27.883 0.271 1.00 68.24 N +ATOM 437 CA GLU A 259 15.014 28.864 0.893 1.00 70.21 C +ATOM 438 C GLU A 259 14.138 29.538 -0.159 1.00 71.14 C +ATOM 439 O GLU A 259 13.388 30.459 0.151 1.00 71.98 O +ATOM 440 CB GLU A 259 15.816 29.929 1.653 1.00 70.51 C +ATOM 441 CG GLU A 259 15.008 30.642 2.755 1.00 71.75 C +ATOM 442 CD GLU A 259 15.717 31.859 3.352 1.00 71.78 C +ATOM 443 OE1 GLU A 259 15.730 32.927 2.701 1.00 71.89 O +ATOM 444 OE2 GLU A 259 16.262 31.751 4.472 1.00 71.15 O +ATOM 445 N ASP A 260 14.228 29.068 -1.400 0.00 72.21 N +ATOM 446 CA ASP A 260 13.439 29.630 -2.492 0.00 73.17 C +ATOM 447 C ASP A 260 12.282 28.706 -2.869 0.00 74.06 C +ATOM 448 O ASP A 260 11.255 29.158 -3.375 0.00 74.10 O +ATOM 449 CB ASP A 260 14.333 29.872 -3.713 0.00 72.93 C +ATOM 450 CG ASP A 260 13.598 30.554 -4.852 0.00 72.81 C +ATOM 451 OD1 ASP A 260 12.650 29.953 -5.400 0.00 72.72 O +ATOM 452 OD2 ASP A 260 13.970 31.694 -5.200 0.00 72.72 O +ATOM 453 N LYS A 261 12.456 27.413 -2.617 1.00 75.22 N +ATOM 454 CA LYS A 261 11.427 26.421 -2.927 1.00 76.57 C +ATOM 455 C LYS A 261 10.666 26.021 -1.662 1.00 77.14 C +ATOM 456 O LYS A 261 9.469 25.726 -1.705 1.00 77.23 O +ATOM 457 CB LYS A 261 12.069 25.184 -3.572 1.00 76.44 C +ATOM 458 CG LYS A 261 11.089 24.078 -3.979 1.00 77.78 C +ATOM 459 CD LYS A 261 10.657 23.215 -2.795 1.00 78.27 C +ATOM 460 CE LYS A 261 9.652 22.149 -3.218 1.00 78.34 C +ATOM 461 NZ LYS A 261 9.235 21.281 -2.076 1.00 77.33 N +ATOM 462 N ILE A 262 11.372 26.015 -0.537 1.00 77.27 N +ATOM 463 CA ILE A 262 10.780 25.648 0.740 1.00 77.38 C +ATOM 464 C ILE A 262 10.651 26.906 1.593 1.00 78.26 C +ATOM 465 O ILE A 262 10.268 27.968 1.101 1.00 78.95 O +ATOM 466 CB ILE A 262 11.671 24.631 1.489 1.00 76.06 C +ATOM 467 CG1 ILE A 262 12.236 23.609 0.503 1.00 74.58 C +ATOM 468 CG2 ILE A 262 10.859 23.911 2.554 1.00 77.19 C +ATOM 469 CD1 ILE A 262 13.287 22.711 1.101 1.00 72.86 C +ATOM 470 N LYS A 263 10.977 26.779 2.872 1.00 79.03 N +ATOM 471 CA LYS A 263 10.920 27.899 3.797 1.00 80.25 C +ATOM 472 C LYS A 263 11.876 27.652 4.955 1.00 80.68 C +ATOM 473 O LYS A 263 11.696 26.718 5.738 1.00 81.55 O +ATOM 474 CB LYS A 263 9.503 28.084 4.337 1.00 81.05 C +ATOM 475 CG LYS A 263 9.391 29.216 5.345 1.00 81.70 C +ATOM 476 CD LYS A 263 7.986 29.330 5.909 1.00 82.63 C +ATOM 477 CE LYS A 263 7.931 30.379 7.003 1.00 82.26 C +ATOM 478 NZ LYS A 263 8.902 30.060 8.083 1.00 81.80 N +ATOM 479 N PHE A 264 12.897 28.493 5.056 0.00 80.55 N +ATOM 480 CA PHE A 264 13.880 28.364 6.119 0.00 80.42 C +ATOM 481 C PHE A 264 14.156 29.711 6.766 0.00 80.63 C +ATOM 482 O PHE A 264 14.647 30.632 6.116 0.00 80.66 O +ATOM 483 CB PHE A 264 15.185 27.785 5.566 0.00 79.86 C +ATOM 484 CG PHE A 264 15.056 26.381 5.050 0.00 79.33 C +ATOM 485 CD1 PHE A 264 14.678 25.347 5.900 0.00 79.10 C +ATOM 486 CD2 PHE A 264 15.317 26.090 3.715 0.00 79.10 C +ATOM 487 CE1 PHE A 264 14.562 24.044 5.428 0.00 78.92 C +ATOM 488 CE2 PHE A 264 15.205 24.789 3.233 0.00 78.92 C +ATOM 489 CZ PHE A 264 14.826 23.764 4.092 0.00 78.87 C +ATOM 490 N LYS A 265 13.826 29.823 8.048 1.00 81.27 N +ATOM 491 CA LYS A 265 14.060 31.055 8.783 1.00 80.85 C +ATOM 492 C LYS A 265 15.560 31.193 9.012 1.00 80.62 C +ATOM 493 O LYS A 265 16.045 31.017 10.129 1.00 81.86 O +ATOM 494 CB LYS A 265 13.329 31.019 10.128 1.00 80.54 C +ATOM 495 CG LYS A 265 11.816 30.925 10.010 1.00 80.17 C +ATOM 496 CD LYS A 265 11.153 30.937 11.378 1.00 79.72 C +ATOM 497 CE LYS A 265 9.642 30.955 11.250 1.00 79.32 C +ATOM 498 NZ LYS A 265 9.191 32.108 10.424 1.00 79.91 N +ATOM 499 N HIS A 266 16.289 31.496 7.943 0.00 79.93 N +ATOM 500 CA HIS A 266 17.737 31.659 8.008 0.00 79.09 C +ATOM 501 C HIS A 266 18.209 32.599 6.902 0.00 78.85 C +ATOM 502 O HIS A 266 17.580 33.624 6.637 0.00 78.74 O +ATOM 503 CB HIS A 266 18.432 30.301 7.859 0.00 78.62 C +ATOM 504 CG HIS A 266 18.119 29.335 8.960 0.00 78.10 C +ATOM 505 ND1 HIS A 266 18.385 29.606 10.285 0.00 77.89 N +ATOM 506 CD2 HIS A 266 17.564 28.101 8.932 0.00 77.89 C +ATOM 507 CE1 HIS A 266 18.006 28.580 11.026 0.00 77.75 C +ATOM 508 NE2 HIS A 266 17.505 27.653 10.230 0.00 77.75 N +ATOM 509 N ILE A 267 19.318 32.245 6.258 0.00 78.64 N +ATOM 510 CA ILE A 267 19.872 33.055 5.179 0.00 78.50 C +ATOM 511 C ILE A 267 20.021 32.217 3.912 0.00 78.42 C +ATOM 512 O ILE A 267 20.587 31.124 3.945 0.00 78.39 O +ATOM 513 CB ILE A 267 21.260 33.617 5.556 0.00 78.52 C +ATOM 514 CG1 ILE A 267 21.188 34.338 6.903 0.00 78.59 C +ATOM 515 CG2 ILE A 267 21.742 34.574 4.475 0.00 78.35 C +ATOM 516 CD1 ILE A 267 22.529 34.837 7.401 1.00 79.30 C +ATOM 517 N THR A 268 19.511 32.733 2.798 1.00 78.58 N +ATOM 518 CA THR A 268 19.595 32.034 1.519 1.00 78.20 C +ATOM 519 C THR A 268 20.971 32.204 0.878 1.00 77.87 C +ATOM 520 O THR A 268 21.642 31.218 0.565 1.00 78.32 O +ATOM 521 CB THR A 268 18.537 32.553 0.515 1.00 78.78 C +ATOM 522 OG1 THR A 268 17.224 32.301 1.024 1.00 78.90 O +ATOM 523 CG2 THR A 268 18.698 31.872 -0.840 1.00 78.31 C +ATOM 524 N PRO A 269 21.408 33.464 0.680 1.00 77.16 N +ATOM 525 CA PRO A 269 22.702 33.798 0.072 1.00 76.40 C +ATOM 526 C PRO A 269 23.933 33.356 0.865 1.00 74.87 C +ATOM 527 O PRO A 269 23.929 32.294 1.483 1.00 76.16 O +ATOM 528 CB PRO A 269 22.615 35.311 -0.085 1.00 76.50 C +ATOM 529 CG PRO A 269 21.817 35.708 1.108 1.00 76.81 C +ATOM 530 CD PRO A 269 20.708 34.694 1.097 1.00 76.95 C +ATOM 531 N LEU A 270 24.985 34.169 0.840 0.00 73.15 N +ATOM 532 CA LEU A 270 26.217 33.845 1.553 0.00 71.06 C +ATOM 533 C LEU A 270 25.954 33.664 3.046 0.00 69.84 C +ATOM 534 O LEU A 270 25.021 34.249 3.596 0.00 69.66 O +ATOM 535 CB LEU A 270 27.259 34.947 1.318 0.00 70.81 C +ATOM 536 CG LEU A 270 28.661 34.827 1.928 0.00 70.47 C +ATOM 537 CD1 LEU A 270 28.628 35.190 3.402 0.00 70.31 C +ATOM 538 CD2 LEU A 270 29.196 33.419 1.713 0.00 70.31 C +ATOM 539 N GLN A 271 26.780 32.848 3.695 0.00 68.39 N +ATOM 540 CA GLN A 271 26.626 32.575 5.120 0.00 66.99 C +ATOM 541 C GLN A 271 27.917 32.702 5.926 0.00 66.31 C +ATOM 542 O GLN A 271 27.895 32.629 7.154 0.00 66.16 O +ATOM 543 CB GLN A 271 26.028 31.176 5.311 0.00 66.56 C +ATOM 544 CG GLN A 271 26.603 30.111 4.380 0.00 65.91 C +ATOM 545 CD GLN A 271 28.016 29.689 4.741 0.00 65.59 C +ATOM 546 OE1 GLN A 271 28.694 29.024 3.957 0.00 65.39 O +ATOM 547 NE2 GLN A 271 28.463 30.061 5.934 0.00 65.39 N +ATOM 548 N GLU A 272 29.038 32.889 5.238 0.00 65.56 N +ATOM 549 CA GLU A 272 30.329 33.022 5.906 0.00 64.89 C +ATOM 550 C GLU A 272 30.324 34.105 6.983 0.00 64.77 C +ATOM 551 O GLU A 272 30.231 33.806 8.174 0.00 64.66 O +ATOM 552 CB GLU A 272 31.427 33.321 4.882 0.00 64.44 C +ATOM 553 CG GLU A 272 31.772 32.147 3.981 0.00 63.81 C +ATOM 554 CD GLU A 272 32.349 30.974 4.751 0.00 63.50 C +ATOM 555 OE1 GLU A 272 33.402 31.149 5.399 0.00 63.30 O +ATOM 556 OE2 GLU A 272 31.751 29.879 4.708 0.00 63.30 O +ATOM 557 N GLN A 273 30.426 35.361 6.560 0.00 64.71 N +ATOM 558 CA GLN A 273 30.442 36.487 7.489 0.00 64.77 C +ATOM 559 C GLN A 273 29.064 36.788 8.071 0.00 65.13 C +ATOM 560 O GLN A 273 28.900 37.741 8.832 0.00 65.07 O +ATOM 561 CB GLN A 273 30.987 37.736 6.791 0.00 64.33 C +ATOM 562 CG GLN A 273 32.446 37.635 6.375 0.00 63.79 C +ATOM 563 CD GLN A 273 33.386 37.509 7.559 0.00 63.51 C +ATOM 564 OE1 GLN A 273 33.315 36.548 8.326 0.00 63.34 O +ATOM 565 NE2 GLN A 273 34.274 38.484 7.715 0.00 63.34 N +ATOM 566 N SER A 274 28.078 35.974 7.710 0.00 65.66 N +ATOM 567 CA SER A 274 26.717 36.156 8.203 0.00 66.33 C +ATOM 568 C SER A 274 26.128 34.819 8.634 0.00 66.91 C +ATOM 569 O SER A 274 25.403 34.174 7.877 0.00 66.95 O +ATOM 570 CB SER A 274 25.841 36.786 7.118 0.00 66.17 C +ATOM 571 OG SER A 274 26.327 38.067 6.755 0.00 66.06 O +ATOM 572 N LYS A 275 26.446 34.418 9.861 1.00 67.93 N +ATOM 573 CA LYS A 275 25.978 33.157 10.428 1.00 68.20 C +ATOM 574 C LYS A 275 26.349 31.998 9.501 1.00 68.17 C +ATOM 575 O LYS A 275 25.796 31.852 8.408 1.00 68.98 O +ATOM 576 CB LYS A 275 24.464 33.205 10.657 1.00 68.38 C +ATOM 577 CG LYS A 275 24.022 32.481 11.921 1.00 69.38 C +ATOM 578 CD LYS A 275 22.547 32.694 12.210 1.00 69.47 C +ATOM 579 CE LYS A 275 22.159 32.105 13.559 1.00 69.74 C +ATOM 580 NZ LYS A 275 20.701 32.277 13.826 1.00 71.72 N +ATOM 581 N GLU A 276 27.296 31.178 9.950 1.00 67.24 N +ATOM 582 CA GLU A 276 27.778 30.036 9.176 1.00 65.89 C +ATOM 583 C GLU A 276 26.675 29.063 8.754 1.00 63.63 C +ATOM 584 O GLU A 276 25.599 29.026 9.351 1.00 62.94 O +ATOM 585 CB GLU A 276 28.822 29.274 9.984 1.00 67.40 C +ATOM 586 CG GLU A 276 29.662 28.318 9.164 1.00 70.17 C +ATOM 587 CD GLU A 276 30.293 27.243 10.019 1.00 71.77 C +ATOM 588 OE1 GLU A 276 31.244 26.581 9.550 1.00 72.35 O +ATOM 589 OE2 GLU A 276 29.824 27.055 11.163 1.00 72.72 O +ATOM 590 N VAL A 277 26.965 28.273 7.725 1.00 61.05 N +ATOM 591 CA VAL A 277 26.025 27.289 7.205 1.00 59.34 C +ATOM 592 C VAL A 277 25.873 26.092 8.140 1.00 57.59 C +ATOM 593 O VAL A 277 24.761 25.644 8.401 1.00 57.09 O +ATOM 594 CB VAL A 277 26.472 26.766 5.823 1.00 59.99 C +ATOM 595 CG1 VAL A 277 27.891 26.230 5.900 1.00 59.25 C +ATOM 596 CG2 VAL A 277 25.531 25.670 5.359 1.00 60.64 C +ATOM 597 N ALA A 278 26.993 25.571 8.631 1.00 55.83 N +ATOM 598 CA ALA A 278 26.967 24.428 9.534 1.00 54.85 C +ATOM 599 C ALA A 278 26.153 24.798 10.759 1.00 53.55 C +ATOM 600 O ALA A 278 25.169 24.144 11.090 1.00 53.33 O +ATOM 601 CB ALA A 278 28.381 24.045 9.942 1.00 53.94 C +ATOM 602 N ILE A 279 26.569 25.868 11.421 1.00 53.32 N +ATOM 603 CA ILE A 279 25.887 26.342 12.612 1.00 52.48 C +ATOM 604 C ILE A 279 24.433 26.678 12.306 1.00 49.98 C +ATOM 605 O ILE A 279 23.558 26.477 13.142 1.00 49.13 O +ATOM 606 CB ILE A 279 26.626 27.568 13.199 1.00 54.07 C +ATOM 607 CG1 ILE A 279 28.022 27.130 13.661 1.00 54.85 C +ATOM 608 CG2 ILE A 279 25.842 28.163 14.363 1.00 53.94 C +ATOM 609 CD1 ILE A 279 28.891 28.256 14.184 1.00 56.72 C +ATOM 610 N ARG A 280 24.176 27.166 11.100 1.00 49.08 N +ATOM 611 CA ARG A 280 22.818 27.509 10.687 1.00 49.89 C +ATOM 612 C ARG A 280 21.953 26.246 10.595 1.00 48.94 C +ATOM 613 O ARG A 280 20.818 26.218 11.074 1.00 48.53 O +ATOM 614 CB ARG A 280 22.855 28.214 9.330 1.00 53.47 C +ATOM 615 CG ARG A 280 21.518 28.752 8.850 1.00 58.80 C +ATOM 616 CD ARG A 280 21.721 29.731 7.697 1.00 62.75 C +ATOM 617 NE ARG A 280 22.361 29.102 6.544 1.00 66.73 N +ATOM 618 CZ ARG A 280 22.905 29.772 5.532 1.00 67.94 C +ATOM 619 NH1 ARG A 280 22.890 31.098 5.530 1.00 69.11 N +ATOM 620 NH2 ARG A 280 23.471 29.117 4.526 1.00 68.12 N +ATOM 621 N ILE A 281 22.495 25.199 9.984 1.00 46.26 N +ATOM 622 CA ILE A 281 21.764 23.949 9.851 1.00 45.24 C +ATOM 623 C ILE A 281 21.574 23.338 11.237 1.00 44.43 C +ATOM 624 O ILE A 281 20.535 22.754 11.532 1.00 42.13 O +ATOM 625 CB ILE A 281 22.519 22.968 8.939 1.00 43.77 C +ATOM 626 CG1 ILE A 281 22.665 23.584 7.547 1.00 44.33 C +ATOM 627 CG2 ILE A 281 21.768 21.652 8.851 1.00 43.27 C +ATOM 628 CD1 ILE A 281 23.482 22.757 6.593 1.00 42.45 C +ATOM 629 N PHE A 282 22.580 23.488 12.090 1.00 45.23 N +ATOM 630 CA PHE A 282 22.499 22.963 13.449 1.00 48.00 C +ATOM 631 C PHE A 282 21.337 23.607 14.215 1.00 48.53 C +ATOM 632 O PHE A 282 20.620 22.935 14.952 1.00 48.52 O +ATOM 633 CB PHE A 282 23.805 23.230 14.198 1.00 49.15 C +ATOM 634 CG PHE A 282 23.797 22.741 15.616 1.00 50.61 C +ATOM 635 CD1 PHE A 282 24.122 21.424 15.910 1.00 50.68 C +ATOM 636 CD2 PHE A 282 23.433 23.592 16.658 1.00 50.63 C +ATOM 637 CE1 PHE A 282 24.086 20.956 17.221 1.00 51.57 C +ATOM 638 CE2 PHE A 282 23.392 23.134 17.967 1.00 50.88 C +ATOM 639 CZ PHE A 282 23.720 21.810 18.249 1.00 51.17 C +ATOM 640 N GLN A 283 21.157 24.912 14.034 1.00 50.02 N +ATOM 641 CA GLN A 283 20.092 25.643 14.710 1.00 51.90 C +ATOM 642 C GLN A 283 18.724 25.163 14.228 1.00 52.62 C +ATOM 643 O GLN A 283 17.760 25.134 14.995 1.00 53.12 O +ATOM 644 CB GLN A 283 20.234 27.145 14.441 1.00 55.12 C +ATOM 645 CG GLN A 283 20.017 28.027 15.660 1.00 58.89 C +ATOM 646 CD GLN A 283 21.139 27.893 16.673 1.00 62.65 C +ATOM 647 OE1 GLN A 283 21.378 26.811 17.217 1.00 66.16 O +ATOM 648 NE2 GLN A 283 21.840 28.990 16.925 1.00 62.68 N +ATOM 649 N GLY A 284 18.639 24.807 12.950 1.00 51.98 N +ATOM 650 CA GLY A 284 17.384 24.317 12.409 1.00 51.72 C +ATOM 651 C GLY A 284 17.009 23.013 13.093 1.00 52.11 C +ATOM 652 O GLY A 284 15.903 22.869 13.615 1.00 50.69 O +ATOM 653 N CYS A 285 17.935 22.059 13.093 1.00 52.69 N +ATOM 654 CA CYS A 285 17.694 20.778 13.743 1.00 55.58 C +ATOM 655 C CYS A 285 17.321 21.033 15.200 1.00 54.41 C +ATOM 656 O CYS A 285 16.472 20.350 15.767 1.00 53.38 O +ATOM 657 CB CYS A 285 18.946 19.905 13.672 1.00 57.52 C +ATOM 658 SG CYS A 285 19.483 19.567 11.981 1.00 65.35 S +ATOM 659 N GLN A 286 17.961 22.036 15.791 1.00 54.56 N +ATOM 660 CA GLN A 286 17.709 22.408 17.177 1.00 55.52 C +ATOM 661 C GLN A 286 16.251 22.775 17.376 1.00 53.91 C +ATOM 662 O GLN A 286 15.578 22.213 18.236 1.00 53.50 O +ATOM 663 CB GLN A 286 18.605 23.591 17.576 1.00 58.93 C +ATOM 664 CG GLN A 286 18.436 24.054 19.013 1.00 63.29 C +ATOM 665 CD GLN A 286 19.523 25.023 19.447 1.00 66.77 C +ATOM 666 OE1 GLN A 286 19.600 26.157 18.966 1.00 68.61 O +ATOM 667 NE2 GLN A 286 20.378 24.573 20.357 1.00 66.50 N +ATOM 668 N PHE A 287 15.769 23.719 16.575 1.00 53.33 N +ATOM 669 CA PHE A 287 14.385 24.164 16.665 1.00 52.34 C +ATOM 670 C PHE A 287 13.412 23.019 16.398 1.00 50.21 C +ATOM 671 O PHE A 287 12.372 22.910 17.051 1.00 48.07 O +ATOM 672 CB PHE A 287 14.133 25.307 15.677 1.00 54.58 C +ATOM 673 CG PHE A 287 12.692 25.709 15.577 1.00 58.99 C +ATOM 674 CD1 PHE A 287 11.906 25.278 14.509 1.00 60.07 C +ATOM 675 CD2 PHE A 287 12.103 26.486 16.574 1.00 60.77 C +ATOM 676 CE1 PHE A 287 10.554 25.616 14.437 1.00 61.32 C +ATOM 677 CE2 PHE A 287 10.752 26.828 16.514 1.00 61.28 C +ATOM 678 CZ PHE A 287 9.976 26.391 15.443 1.00 61.71 C +ATOM 679 N ARG A 288 13.745 22.172 15.428 1.00 49.23 N +ATOM 680 CA ARG A 288 12.892 21.036 15.106 1.00 48.64 C +ATOM 681 C ARG A 288 12.827 20.094 16.304 1.00 46.81 C +ATOM 682 O ARG A 288 11.765 19.556 16.630 1.00 45.49 O +ATOM 683 CB ARG A 288 13.427 20.287 13.885 1.00 50.57 C +ATOM 684 CG ARG A 288 12.580 19.092 13.500 1.00 54.18 C +ATOM 685 CD ARG A 288 11.146 19.516 13.246 1.00 57.07 C +ATOM 686 NE ARG A 288 10.273 18.390 12.919 1.00 59.52 N +ATOM 687 CZ ARG A 288 9.772 17.539 13.808 1.00 61.40 C +ATOM 688 NH1 ARG A 288 10.052 17.674 15.095 1.00 63.95 N +ATOM 689 NH2 ARG A 288 8.976 16.554 13.409 1.00 64.33 N +ATOM 690 N SER A 289 13.966 19.906 16.966 1.00 44.98 N +ATOM 691 CA SER A 289 14.028 19.039 18.135 1.00 45.06 C +ATOM 692 C SER A 289 13.063 19.434 19.245 1.00 44.21 C +ATOM 693 O SER A 289 12.328 18.583 19.755 1.00 41.95 O +ATOM 694 CB SER A 289 15.444 19.003 18.710 1.00 46.22 C +ATOM 695 OG SER A 289 16.237 18.047 18.035 1.00 46.40 O +ATOM 696 N VAL A 290 13.063 20.707 19.638 1.00 43.33 N +ATOM 697 CA VAL A 290 12.165 21.109 20.709 1.00 45.59 C +ATOM 698 C VAL A 290 10.724 21.025 20.227 1.00 45.20 C +ATOM 699 O VAL A 290 9.803 20.936 21.032 1.00 45.46 O +ATOM 700 CB VAL A 290 12.495 22.542 21.285 1.00 47.32 C +ATOM 701 CG1 VAL A 290 13.805 23.055 20.712 1.00 45.87 C +ATOM 702 CG2 VAL A 290 11.341 23.511 21.040 1.00 42.66 C +ATOM 703 N GLU A 291 10.529 21.045 18.912 1.00 46.71 N +ATOM 704 CA GLU A 291 9.182 20.914 18.367 1.00 48.57 C +ATOM 705 C GLU A 291 8.783 19.449 18.508 1.00 45.41 C +ATOM 706 O GLU A 291 7.646 19.132 18.845 1.00 44.86 O +ATOM 707 CB GLU A 291 9.133 21.325 16.892 1.00 51.89 C +ATOM 708 CG GLU A 291 8.913 22.814 16.661 1.00 56.46 C +ATOM 709 CD GLU A 291 8.741 23.153 15.189 1.00 59.38 C +ATOM 710 OE1 GLU A 291 9.657 22.840 14.397 1.00 59.88 O +ATOM 711 OE2 GLU A 291 7.693 23.734 14.824 1.00 61.00 O +ATOM 712 N ALA A 292 9.740 18.563 18.249 1.00 43.37 N +ATOM 713 CA ALA A 292 9.516 17.126 18.359 1.00 39.19 C +ATOM 714 C ALA A 292 9.242 16.774 19.816 1.00 37.88 C +ATOM 715 O ALA A 292 8.426 15.900 20.107 1.00 36.79 O +ATOM 716 CB ALA A 292 10.730 16.367 17.857 1.00 38.65 C +ATOM 717 N VAL A 293 9.927 17.455 20.732 1.00 38.36 N +ATOM 718 CA VAL A 293 9.734 17.207 22.158 1.00 38.00 C +ATOM 719 C VAL A 293 8.292 17.506 22.561 1.00 39.01 C +ATOM 720 O VAL A 293 7.721 16.817 23.408 1.00 39.25 O +ATOM 721 CB VAL A 293 10.683 18.074 23.027 1.00 37.79 C +ATOM 722 CG1 VAL A 293 10.314 17.938 24.495 1.00 40.00 C +ATOM 723 CG2 VAL A 293 12.117 17.628 22.838 1.00 37.26 C +ATOM 724 N GLN A 294 7.698 18.524 21.943 1.00 39.72 N +ATOM 725 CA GLN A 294 6.325 18.899 22.258 1.00 39.64 C +ATOM 726 C GLN A 294 5.313 17.902 21.711 1.00 39.52 C +ATOM 727 O GLN A 294 4.314 17.597 22.372 1.00 40.52 O +ATOM 728 CB GLN A 294 6.014 20.288 21.715 1.00 41.53 C +ATOM 729 CG GLN A 294 4.589 20.731 22.009 1.00 48.51 C +ATOM 730 CD GLN A 294 4.246 20.666 23.493 1.00 51.81 C +ATOM 731 OE1 GLN A 294 4.926 21.275 24.324 1.00 53.67 O +ATOM 732 NE2 GLN A 294 3.185 19.929 23.831 1.00 49.85 N +ATOM 733 N GLU A 295 5.562 17.409 20.500 1.00 36.48 N +ATOM 734 CA GLU A 295 4.683 16.433 19.873 1.00 36.04 C +ATOM 735 C GLU A 295 4.713 15.144 20.699 1.00 33.46 C +ATOM 736 O GLU A 295 3.671 14.595 21.058 1.00 31.86 O +ATOM 737 CB GLU A 295 5.152 16.159 18.437 1.00 39.23 C +ATOM 738 CG GLU A 295 5.504 17.428 17.672 1.00 43.58 C +ATOM 739 CD GLU A 295 5.874 17.170 16.226 1.00 45.53 C +ATOM 740 OE1 GLU A 295 6.615 16.199 15.961 1.00 48.26 O +ATOM 741 OE2 GLU A 295 5.436 17.950 15.352 1.00 46.19 O +ATOM 742 N ILE A 296 5.920 14.675 21.002 1.00 32.87 N +ATOM 743 CA ILE A 296 6.103 13.469 21.805 1.00 31.28 C +ATOM 744 C ILE A 296 5.432 13.662 23.163 1.00 30.53 C +ATOM 745 O ILE A 296 4.773 12.753 23.667 1.00 32.21 O +ATOM 746 CB ILE A 296 7.610 13.176 22.019 1.00 31.80 C +ATOM 747 CG1 ILE A 296 8.247 12.778 20.685 1.00 32.22 C +ATOM 748 CG2 ILE A 296 7.804 12.088 23.096 1.00 32.84 C +ATOM 749 CD1 ILE A 296 9.774 12.901 20.658 1.00 31.21 C +ATOM 750 N THR A 297 5.594 14.837 23.767 1.00 29.30 N +ATOM 751 CA THR A 297 4.968 15.066 25.068 1.00 31.40 C +ATOM 752 C THR A 297 3.448 14.979 24.916 1.00 32.81 C +ATOM 753 O THR A 297 2.758 14.373 25.745 1.00 32.10 O +ATOM 754 CB THR A 297 5.358 16.435 25.659 1.00 32.00 C +ATOM 755 OG1 THR A 297 6.779 16.497 25.829 1.00 31.87 O +ATOM 756 CG2 THR A 297 4.706 16.633 27.010 1.00 32.35 C +ATOM 757 N GLU A 298 2.928 15.572 23.846 1.00 32.58 N +ATOM 758 CA GLU A 298 1.492 15.526 23.591 1.00 33.65 C +ATOM 759 C GLU A 298 1.087 14.043 23.432 1.00 31.12 C +ATOM 760 O GLU A 298 0.080 13.606 23.967 1.00 28.30 O +ATOM 761 CB GLU A 298 1.154 16.323 22.319 1.00 35.36 C +ATOM 762 CG GLU A 298 -0.333 16.352 21.983 1.00 41.80 C +ATOM 763 CD GLU A 298 -0.617 16.857 20.570 1.00 46.02 C +ATOM 764 OE1 GLU A 298 -0.378 18.053 20.298 1.00 48.64 O +ATOM 765 OE2 GLU A 298 -1.076 16.052 19.725 1.00 47.39 O +ATOM 766 N TYR A 299 1.883 13.270 22.702 1.00 30.16 N +ATOM 767 CA TYR A 299 1.588 11.846 22.526 1.00 29.87 C +ATOM 768 C TYR A 299 1.637 11.120 23.871 1.00 30.86 C +ATOM 769 O TYR A 299 0.752 10.328 24.197 1.00 28.16 O +ATOM 770 CB TYR A 299 2.606 11.193 21.582 1.00 28.91 C +ATOM 771 CG TYR A 299 2.388 9.697 21.415 1.00 31.38 C +ATOM 772 CD1 TYR A 299 1.261 9.210 20.757 1.00 26.80 C +ATOM 773 CD2 TYR A 299 3.291 8.771 21.949 1.00 28.98 C +ATOM 774 CE1 TYR A 299 1.031 7.845 20.633 1.00 30.10 C +ATOM 775 CE2 TYR A 299 3.073 7.398 21.831 1.00 30.34 C +ATOM 776 CZ TYR A 299 1.940 6.940 21.172 1.00 32.36 C +ATOM 777 OH TYR A 299 1.707 5.581 21.053 1.00 32.95 O +ATOM 778 N ALA A 300 2.680 11.403 24.648 1.00 30.94 N +ATOM 779 CA ALA A 300 2.867 10.763 25.954 1.00 33.36 C +ATOM 780 C ALA A 300 1.627 10.857 26.834 1.00 32.14 C +ATOM 781 O ALA A 300 1.239 9.885 27.480 1.00 33.23 O +ATOM 782 CB ALA A 300 4.071 11.377 26.673 1.00 30.93 C +ATOM 783 N LYS A 301 0.996 12.026 26.843 1.00 33.49 N +ATOM 784 CA LYS A 301 -0.205 12.240 27.643 1.00 32.44 C +ATOM 785 C LYS A 301 -1.351 11.291 27.300 1.00 33.03 C +ATOM 786 O LYS A 301 -2.219 11.041 28.138 1.00 33.82 O +ATOM 787 CB LYS A 301 -0.662 13.686 27.495 1.00 34.41 C +ATOM 788 CG LYS A 301 0.381 14.668 27.982 1.00 38.45 C +ATOM 789 CD LYS A 301 0.091 16.088 27.553 1.00 40.14 C +ATOM 790 CE LYS A 301 -1.244 16.558 28.059 1.00 40.78 C +ATOM 791 NZ LYS A 301 -1.452 17.978 27.653 1.00 44.23 N +ATOM 792 N SER A 302 -1.362 10.762 26.077 1.00 32.77 N +ATOM 793 CA SER A 302 -2.419 9.844 25.660 1.00 31.82 C +ATOM 794 C SER A 302 -2.152 8.387 26.063 1.00 33.07 C +ATOM 795 O SER A 302 -3.025 7.532 25.899 1.00 33.40 O +ATOM 796 CB SER A 302 -2.606 9.896 24.149 1.00 31.23 C +ATOM 797 OG SER A 302 -1.751 8.952 23.519 1.00 36.19 O +ATOM 798 N ILE A 303 -0.958 8.081 26.569 1.00 33.50 N +ATOM 799 CA ILE A 303 -0.680 6.698 26.977 1.00 32.97 C +ATOM 800 C ILE A 303 -1.451 6.451 28.270 1.00 33.14 C +ATOM 801 O ILE A 303 -1.248 7.143 29.268 1.00 34.47 O +ATOM 802 CB ILE A 303 0.831 6.459 27.215 1.00 34.26 C +ATOM 803 CG1 ILE A 303 1.605 6.732 25.924 1.00 31.91 C +ATOM 804 CG2 ILE A 303 1.073 5.008 27.674 1.00 32.17 C +ATOM 805 CD1 ILE A 303 3.111 6.791 26.113 1.00 33.56 C +ATOM 806 N PRO A 304 -2.362 5.469 28.267 1.00 32.48 N +ATOM 807 CA PRO A 304 -3.142 5.189 29.472 1.00 31.14 C +ATOM 808 C PRO A 304 -2.312 5.024 30.738 1.00 32.58 C +ATOM 809 O PRO A 304 -1.390 4.222 30.786 1.00 32.29 O +ATOM 810 CB PRO A 304 -3.910 3.926 29.090 1.00 32.55 C +ATOM 811 CG PRO A 304 -4.179 4.156 27.631 1.00 32.09 C +ATOM 812 CD PRO A 304 -2.810 4.624 27.144 1.00 30.46 C +ATOM 813 N GLY A 305 -2.660 5.797 31.764 1.00 32.95 N +ATOM 814 CA GLY A 305 -1.950 5.739 33.025 1.00 31.17 C +ATOM 815 C GLY A 305 -0.832 6.757 33.171 1.00 31.33 C +ATOM 816 O GLY A 305 -0.459 7.101 34.285 1.00 31.17 O +ATOM 817 N PHE A 306 -0.294 7.255 32.064 1.00 30.77 N +ATOM 818 CA PHE A 306 0.809 8.208 32.158 1.00 31.48 C +ATOM 819 C PHE A 306 0.494 9.463 32.972 1.00 32.61 C +ATOM 820 O PHE A 306 1.236 9.796 33.888 1.00 35.70 O +ATOM 821 CB PHE A 306 1.307 8.624 30.764 1.00 27.83 C +ATOM 822 CG PHE A 306 2.496 9.562 30.801 1.00 31.68 C +ATOM 823 CD1 PHE A 306 3.787 9.072 30.992 1.00 29.42 C +ATOM 824 CD2 PHE A 306 2.318 10.941 30.711 1.00 29.51 C +ATOM 825 CE1 PHE A 306 4.874 9.939 31.098 1.00 29.53 C +ATOM 826 CE2 PHE A 306 3.406 11.813 30.817 1.00 29.97 C +ATOM 827 CZ PHE A 306 4.683 11.309 31.013 1.00 29.51 C +ATOM 828 N VAL A 307 -0.595 10.160 32.665 1.00 32.15 N +ATOM 829 CA VAL A 307 -0.896 11.382 33.406 1.00 33.77 C +ATOM 830 C VAL A 307 -1.249 11.149 34.877 1.00 33.73 C +ATOM 831 O VAL A 307 -1.220 12.084 35.669 1.00 30.42 O +ATOM 832 CB VAL A 307 -2.032 12.207 32.730 1.00 34.58 C +ATOM 833 CG1 VAL A 307 -1.564 12.730 31.395 1.00 33.89 C +ATOM 834 CG2 VAL A 307 -3.272 11.355 32.553 1.00 33.19 C +ATOM 835 N ASN A 308 -1.566 9.905 35.233 1.00 34.91 N +ATOM 836 CA ASN A 308 -1.912 9.539 36.607 1.00 35.79 C +ATOM 837 C ASN A 308 -0.672 9.294 37.472 1.00 37.74 C +ATOM 838 O ASN A 308 -0.777 9.184 38.686 1.00 39.77 O +ATOM 839 CB ASN A 308 -2.757 8.264 36.633 1.00 37.95 C +ATOM 840 CG ASN A 308 -4.067 8.407 35.884 1.00 42.58 C +ATOM 841 OD1 ASN A 308 -4.876 9.306 36.164 1.00 41.58 O +ATOM 842 ND2 ASN A 308 -4.293 7.511 34.929 1.00 42.16 N +ATOM 843 N LEU A 309 0.493 9.179 36.844 1.00 39.01 N +ATOM 844 CA LEU A 309 1.735 8.935 37.571 1.00 37.03 C +ATOM 845 C LEU A 309 2.201 10.186 38.304 1.00 39.35 C +ATOM 846 O LEU A 309 1.859 11.314 37.922 1.00 38.92 O +ATOM 847 CB LEU A 309 2.850 8.502 36.609 1.00 32.79 C +ATOM 848 CG LEU A 309 2.698 7.176 35.867 1.00 32.82 C +ATOM 849 CD1 LEU A 309 3.835 6.991 34.872 1.00 28.31 C +ATOM 850 CD2 LEU A 309 2.671 6.043 36.874 1.00 31.44 C +ATOM 851 N ASP A 310 2.993 9.973 39.352 1.00 40.02 N +ATOM 852 CA ASP A 310 3.555 11.069 40.125 1.00 40.34 C +ATOM 853 C ASP A 310 4.097 12.041 39.085 1.00 40.56 C +ATOM 854 O ASP A 310 4.782 11.633 38.152 1.00 39.95 O +ATOM 855 CB ASP A 310 4.705 10.560 41.001 1.00 41.71 C +ATOM 856 CG ASP A 310 5.208 11.607 41.967 1.00 43.49 C +ATOM 857 OD1 ASP A 310 4.648 11.712 43.078 1.00 47.32 O +ATOM 858 OD2 ASP A 310 6.154 12.339 41.610 1.00 44.95 O +ATOM 859 N LEU A 311 3.782 13.320 39.238 1.00 41.71 N +ATOM 860 CA LEU A 311 4.231 14.328 38.293 1.00 42.93 C +ATOM 861 C LEU A 311 5.740 14.274 38.050 1.00 44.05 C +ATOM 862 O LEU A 311 6.197 14.260 36.908 1.00 43.85 O +ATOM 863 CB LEU A 311 3.809 15.709 38.791 1.00 45.73 C +ATOM 864 CG LEU A 311 4.240 16.907 37.948 1.00 48.76 C +ATOM 865 CD1 LEU A 311 3.260 18.061 38.148 1.00 49.27 C +ATOM 866 CD2 LEU A 311 5.667 17.306 38.336 1.00 49.91 C +ATOM 867 N ASN A 312 6.516 14.228 39.124 1.00 43.91 N +ATOM 868 CA ASN A 312 7.963 14.175 38.989 1.00 43.55 C +ATOM 869 C ASN A 312 8.401 13.020 38.097 1.00 41.33 C +ATOM 870 O ASN A 312 9.315 13.172 37.291 1.00 40.73 O +ATOM 871 CB ASN A 312 8.610 14.057 40.370 1.00 46.11 C +ATOM 872 CG ASN A 312 8.200 15.190 41.292 1.00 49.70 C +ATOM 873 OD1 ASN A 312 8.401 16.366 40.978 1.00 51.43 O +ATOM 874 ND2 ASN A 312 7.611 14.843 42.430 1.00 50.31 N +ATOM 875 N ASP A 313 7.751 11.869 38.232 1.00 38.88 N +ATOM 876 CA ASP A 313 8.105 10.717 37.409 1.00 37.44 C +ATOM 877 C ASP A 313 7.708 10.975 35.954 1.00 38.08 C +ATOM 878 O ASP A 313 8.380 10.507 35.029 1.00 37.59 O +ATOM 879 CB ASP A 313 7.444 9.438 37.953 1.00 36.46 C +ATOM 880 CG ASP A 313 8.187 8.866 39.172 1.00 36.27 C +ATOM 881 OD1 ASP A 313 9.185 9.477 39.608 1.00 36.94 O +ATOM 882 OD2 ASP A 313 7.781 7.808 39.695 1.00 35.04 O +ATOM 883 N GLN A 314 6.635 11.737 35.746 1.00 37.26 N +ATOM 884 CA GLN A 314 6.230 12.064 34.382 1.00 38.81 C +ATOM 885 C GLN A 314 7.396 12.825 33.762 1.00 38.10 C +ATOM 886 O GLN A 314 7.835 12.527 32.648 1.00 38.28 O +ATOM 887 CB GLN A 314 4.971 12.941 34.361 1.00 37.29 C +ATOM 888 CG GLN A 314 3.702 12.251 34.841 1.00 37.91 C +ATOM 889 CD GLN A 314 2.453 13.092 34.605 1.00 39.53 C +ATOM 890 OE1 GLN A 314 1.485 13.019 35.366 1.00 42.11 O +ATOM 891 NE2 GLN A 314 2.463 13.881 33.542 1.00 38.84 N +ATOM 892 N VAL A 315 7.909 13.798 34.505 1.00 38.14 N +ATOM 893 CA VAL A 315 9.030 14.601 34.039 1.00 37.38 C +ATOM 894 C VAL A 315 10.240 13.723 33.747 1.00 36.29 C +ATOM 895 O VAL A 315 10.872 13.850 32.698 1.00 37.24 O +ATOM 896 CB VAL A 315 9.410 15.677 35.088 1.00 38.17 C +ATOM 897 CG1 VAL A 315 10.740 16.328 34.727 1.00 37.65 C +ATOM 898 CG2 VAL A 315 8.319 16.728 35.151 1.00 38.12 C +ATOM 899 N THR A 316 10.563 12.826 34.670 1.00 35.50 N +ATOM 900 CA THR A 316 11.712 11.943 34.478 1.00 35.34 C +ATOM 901 C THR A 316 11.581 11.065 33.227 1.00 32.26 C +ATOM 902 O THR A 316 12.515 10.955 32.448 1.00 33.19 O +ATOM 903 CB THR A 316 11.929 11.031 35.709 1.00 34.46 C +ATOM 904 OG1 THR A 316 12.215 11.843 36.853 1.00 37.77 O +ATOM 905 CG2 THR A 316 13.096 10.076 35.473 1.00 33.10 C +ATOM 906 N LEU A 317 10.424 10.441 33.043 1.00 32.34 N +ATOM 907 CA LEU A 317 10.208 9.586 31.881 1.00 31.86 C +ATOM 908 C LEU A 317 10.352 10.368 30.584 1.00 30.03 C +ATOM 909 O LEU A 317 10.930 9.868 29.622 1.00 27.40 O +ATOM 910 CB LEU A 317 8.826 8.927 31.951 1.00 31.43 C +ATOM 911 CG LEU A 317 8.646 7.937 33.107 1.00 30.71 C +ATOM 912 CD1 LEU A 317 7.203 7.449 33.139 1.00 28.85 C +ATOM 913 CD2 LEU A 317 9.618 6.775 32.943 1.00 27.81 C +ATOM 914 N LEU A 318 9.837 11.596 30.551 1.00 30.36 N +ATOM 915 CA LEU A 318 9.963 12.400 29.338 1.00 30.63 C +ATOM 916 C LEU A 318 11.411 12.787 29.078 1.00 29.77 C +ATOM 917 O LEU A 318 11.915 12.637 27.970 1.00 29.89 O +ATOM 918 CB LEU A 318 9.090 13.651 29.425 1.00 31.01 C +ATOM 919 CG LEU A 318 7.613 13.428 29.099 1.00 32.86 C +ATOM 920 CD1 LEU A 318 6.816 14.682 29.399 1.00 32.18 C +ATOM 921 CD2 LEU A 318 7.476 13.037 27.632 1.00 32.19 C +ATOM 922 N LYS A 319 12.074 13.285 30.111 1.00 33.69 N +ATOM 923 CA LYS A 319 13.475 13.697 30.035 1.00 35.85 C +ATOM 924 C LYS A 319 14.374 12.613 29.430 1.00 37.06 C +ATOM 925 O LYS A 319 15.162 12.879 28.514 1.00 37.89 O +ATOM 926 CB LYS A 319 13.966 14.068 31.445 1.00 35.32 C +ATOM 927 CG LYS A 319 15.471 14.275 31.593 1.00 37.25 C +ATOM 928 CD LYS A 319 15.818 14.428 33.081 1.00 40.29 C +ATOM 929 CE LYS A 319 17.308 14.630 33.317 1.00 39.69 C +ATOM 930 NZ LYS A 319 17.816 15.887 32.708 1.00 40.64 N +ATOM 931 N TYR A 320 14.258 11.391 29.935 1.00 39.22 N +ATOM 932 CA TYR A 320 15.085 10.292 29.434 1.00 40.14 C +ATOM 933 C TYR A 320 14.544 9.604 28.190 1.00 39.26 C +ATOM 934 O TYR A 320 15.293 8.926 27.479 1.00 39.56 O +ATOM 935 CB TYR A 320 15.298 9.230 30.527 1.00 41.92 C +ATOM 936 CG TYR A 320 16.252 9.662 31.618 1.00 43.95 C +ATOM 937 CD1 TYR A 320 15.790 10.298 32.768 1.00 44.24 C +ATOM 938 CD2 TYR A 320 17.628 9.467 31.478 1.00 44.10 C +ATOM 939 CE1 TYR A 320 16.679 10.729 33.759 1.00 46.10 C +ATOM 940 CE2 TYR A 320 18.518 9.895 32.453 1.00 43.86 C +ATOM 941 CZ TYR A 320 18.040 10.523 33.589 1.00 44.20 C +ATOM 942 OH TYR A 320 18.925 10.943 34.547 1.00 43.59 O +ATOM 943 N GLY A 321 13.251 9.763 27.922 1.00 36.20 N +ATOM 944 CA GLY A 321 12.681 9.098 26.764 1.00 34.39 C +ATOM 945 C GLY A 321 12.617 9.857 25.450 1.00 34.43 C +ATOM 946 O GLY A 321 12.723 9.250 24.384 1.00 33.75 O +ATOM 947 N VAL A 322 12.466 11.177 25.513 1.00 33.06 N +ATOM 948 CA VAL A 322 12.337 11.982 24.307 1.00 32.93 C +ATOM 949 C VAL A 322 13.349 11.771 23.189 1.00 32.34 C +ATOM 950 O VAL A 322 12.962 11.548 22.039 1.00 32.96 O +ATOM 951 CB VAL A 322 12.262 13.495 24.663 1.00 35.19 C +ATOM 952 CG1 VAL A 322 12.702 14.348 23.483 1.00 36.27 C +ATOM 953 CG2 VAL A 322 10.820 13.856 25.020 1.00 33.78 C +ATOM 954 N HIS A 323 14.638 11.834 23.493 1.00 32.79 N +ATOM 955 CA HIS A 323 15.615 11.658 22.433 1.00 31.71 C +ATOM 956 C HIS A 323 15.659 10.258 21.848 1.00 31.07 C +ATOM 957 O HIS A 323 15.928 10.085 20.655 1.00 31.76 O +ATOM 958 CB HIS A 323 16.997 12.103 22.904 1.00 33.47 C +ATOM 959 CG HIS A 323 17.157 13.588 22.925 1.00 36.18 C +ATOM 960 ND1 HIS A 323 16.837 14.358 24.020 1.00 40.43 N +ATOM 961 CD2 HIS A 323 17.525 14.455 21.952 1.00 38.80 C +ATOM 962 CE1 HIS A 323 17.001 15.635 23.722 1.00 39.58 C +ATOM 963 NE2 HIS A 323 17.418 15.720 22.472 1.00 38.15 N +ATOM 964 N GLU A 324 15.390 9.247 22.661 1.00 29.66 N +ATOM 965 CA GLU A 324 15.398 7.901 22.116 1.00 30.40 C +ATOM 966 C GLU A 324 14.253 7.858 21.100 1.00 28.97 C +ATOM 967 O GLU A 324 14.384 7.267 20.026 1.00 29.40 O +ATOM 968 CB GLU A 324 15.223 6.855 23.237 1.00 30.62 C +ATOM 969 CG GLU A 324 16.422 6.809 24.213 1.00 33.41 C +ATOM 970 CD GLU A 324 16.253 5.799 25.354 1.00 35.55 C +ATOM 971 OE1 GLU A 324 15.148 5.223 25.511 1.00 35.12 O +ATOM 972 OE2 GLU A 324 17.232 5.593 26.104 1.00 33.78 O +ATOM 973 N ILE A 325 13.140 8.509 21.424 1.00 26.26 N +ATOM 974 CA ILE A 325 12.001 8.539 20.514 1.00 27.67 C +ATOM 975 C ILE A 325 12.313 9.396 19.281 1.00 28.14 C +ATOM 976 O ILE A 325 11.956 9.044 18.152 1.00 26.81 O +ATOM 977 CB ILE A 325 10.730 9.064 21.231 1.00 27.58 C +ATOM 978 CG1 ILE A 325 10.365 8.109 22.365 1.00 25.21 C +ATOM 979 CG2 ILE A 325 9.554 9.176 20.236 1.00 25.37 C +ATOM 980 CD1 ILE A 325 9.120 8.504 23.141 1.00 30.46 C +ATOM 981 N ILE A 326 12.988 10.520 19.492 1.00 28.71 N +ATOM 982 CA ILE A 326 13.350 11.372 18.371 1.00 28.60 C +ATOM 983 C ILE A 326 14.192 10.609 17.334 1.00 29.25 C +ATOM 984 O ILE A 326 13.987 10.768 16.128 1.00 29.62 O +ATOM 985 CB ILE A 326 14.138 12.629 18.848 1.00 26.74 C +ATOM 986 CG1 ILE A 326 13.155 13.681 19.388 1.00 28.68 C +ATOM 987 CG2 ILE A 326 14.981 13.193 17.703 1.00 22.04 C +ATOM 988 CD1 ILE A 326 13.817 14.937 20.007 1.00 28.18 C +ATOM 989 N TYR A 327 15.138 9.787 17.788 1.00 28.89 N +ATOM 990 CA TYR A 327 15.982 9.043 16.846 1.00 29.52 C +ATOM 991 C TYR A 327 15.270 7.860 16.204 1.00 27.06 C +ATOM 992 O TYR A 327 15.622 7.445 15.099 1.00 25.17 O +ATOM 993 CB TYR A 327 17.269 8.570 17.526 1.00 33.27 C +ATOM 994 CG TYR A 327 18.093 9.707 18.067 1.00 37.41 C +ATOM 995 CD1 TYR A 327 18.379 10.819 17.278 1.00 39.37 C +ATOM 996 CD2 TYR A 327 18.561 9.690 19.380 1.00 39.25 C +ATOM 997 CE1 TYR A 327 19.104 11.890 17.786 1.00 41.94 C +ATOM 998 CE2 TYR A 327 19.287 10.752 19.897 1.00 40.58 C +ATOM 999 CZ TYR A 327 19.556 11.851 19.100 1.00 42.37 C +ATOM 1000 OH TYR A 327 20.272 12.912 19.624 1.00 44.90 O +ATOM 1001 N THR A 328 14.275 7.316 16.895 1.00 25.94 N +ATOM 1002 CA THR A 328 13.498 6.199 16.361 1.00 27.04 C +ATOM 1003 C THR A 328 12.649 6.746 15.215 1.00 26.11 C +ATOM 1004 O THR A 328 12.636 6.212 14.114 1.00 25.51 O +ATOM 1005 CB THR A 328 12.556 5.601 17.439 1.00 25.74 C +ATOM 1006 OG1 THR A 328 13.341 4.980 18.464 1.00 27.29 O +ATOM 1007 CG2 THR A 328 11.612 4.574 16.832 1.00 24.84 C +ATOM 1008 N MET A 329 11.955 7.840 15.486 1.00 29.34 N +ATOM 1009 CA MET A 329 11.096 8.458 14.488 1.00 28.47 C +ATOM 1010 C MET A 329 11.861 9.084 13.340 1.00 28.35 C +ATOM 1011 O MET A 329 11.379 9.106 12.204 1.00 27.65 O +ATOM 1012 CB MET A 329 10.185 9.469 15.177 1.00 31.73 C +ATOM 1013 CG MET A 329 9.196 8.762 16.096 1.00 34.33 C +ATOM 1014 SD MET A 329 7.944 9.813 16.746 1.00 41.30 S +ATOM 1015 CE MET A 329 7.073 10.271 15.194 1.00 40.87 C +ATOM 1016 N LEU A 330 13.062 9.574 13.630 1.00 25.71 N +ATOM 1017 CA LEU A 330 13.908 10.173 12.602 1.00 25.06 C +ATOM 1018 C LEU A 330 14.288 9.127 11.547 1.00 24.72 C +ATOM 1019 O LEU A 330 14.480 9.452 10.369 1.00 23.85 O +ATOM 1020 CB LEU A 330 15.178 10.745 13.239 1.00 23.20 C +ATOM 1021 CG LEU A 330 16.170 11.389 12.275 1.00 26.52 C +ATOM 1022 CD1 LEU A 330 15.595 12.697 11.757 1.00 28.04 C +ATOM 1023 CD2 LEU A 330 17.495 11.621 12.983 1.00 25.24 C +ATOM 1024 N ALA A 331 14.401 7.868 11.966 1.00 25.95 N +ATOM 1025 CA ALA A 331 14.747 6.796 11.023 1.00 25.05 C +ATOM 1026 C ALA A 331 13.672 6.737 9.944 1.00 24.52 C +ATOM 1027 O ALA A 331 13.960 6.453 8.786 1.00 26.54 O +ATOM 1028 CB ALA A 331 14.841 5.449 11.758 1.00 26.56 C +ATOM 1029 N SER A 332 12.430 7.032 10.325 1.00 25.51 N +ATOM 1030 CA SER A 332 11.324 7.011 9.375 1.00 26.12 C +ATOM 1031 C SER A 332 11.566 7.970 8.227 1.00 26.71 C +ATOM 1032 O SER A 332 11.137 7.706 7.108 1.00 26.71 O +ATOM 1033 CB SER A 332 10.006 7.403 10.050 1.00 26.44 C +ATOM 1034 OG SER A 332 9.669 6.527 11.101 1.00 23.52 O +ATOM 1035 N LEU A 333 12.258 9.077 8.495 1.00 27.13 N +ATOM 1036 CA LEU A 333 12.499 10.074 7.456 1.00 28.23 C +ATOM 1037 C LEU A 333 13.815 9.875 6.708 1.00 30.26 C +ATOM 1038 O LEU A 333 14.191 10.709 5.873 1.00 30.51 O +ATOM 1039 CB LEU A 333 12.482 11.486 8.062 1.00 28.11 C +ATOM 1040 CG LEU A 333 11.408 11.872 9.092 1.00 31.57 C +ATOM 1041 CD1 LEU A 333 11.491 13.370 9.388 1.00 30.53 C +ATOM 1042 CD2 LEU A 333 10.047 11.532 8.582 1.00 29.19 C +ATOM 1043 N MET A 334 14.507 8.775 6.993 1.00 29.84 N +ATOM 1044 CA MET A 334 15.794 8.511 6.359 1.00 31.41 C +ATOM 1045 C MET A 334 15.903 7.266 5.483 1.00 30.43 C +ATOM 1046 O MET A 334 15.146 6.307 5.613 1.00 31.02 O +ATOM 1047 CB MET A 334 16.893 8.382 7.429 1.00 31.00 C +ATOM 1048 CG MET A 334 17.068 9.563 8.377 1.00 32.37 C +ATOM 1049 SD MET A 334 18.266 9.188 9.708 1.00 32.38 S +ATOM 1050 CE MET A 334 19.351 10.640 9.619 1.00 32.18 C +ATOM 1051 N ASN A 335 16.869 7.316 4.581 1.00 30.93 N +ATOM 1052 CA ASN A 335 17.225 6.178 3.753 1.00 33.05 C +ATOM 1053 C ASN A 335 18.733 6.316 3.745 1.00 34.66 C +ATOM 1054 O ASN A 335 19.269 7.192 4.424 1.00 33.80 O +ATOM 1055 CB ASN A 335 16.633 6.227 2.333 1.00 30.16 C +ATOM 1056 CG ASN A 335 17.091 7.415 1.526 1.00 32.09 C +ATOM 1057 OD1 ASN A 335 18.130 8.019 1.790 1.00 30.05 O +ATOM 1058 ND2 ASN A 335 16.312 7.744 0.498 1.00 34.52 N +ATOM 1059 N LYS A 336 19.424 5.476 2.994 1.00 36.54 N +ATOM 1060 CA LYS A 336 20.876 5.531 2.959 1.00 38.77 C +ATOM 1061 C LYS A 336 21.498 6.829 2.438 1.00 38.79 C +ATOM 1062 O LYS A 336 22.606 7.176 2.837 1.00 39.88 O +ATOM 1063 CB LYS A 336 21.406 4.364 2.128 1.00 41.97 C +ATOM 1064 CG LYS A 336 21.998 3.256 2.953 1.00 46.96 C +ATOM 1065 CD LYS A 336 23.256 3.727 3.667 1.00 50.26 C +ATOM 1066 CE LYS A 336 23.976 2.585 4.368 1.00 49.74 C +ATOM 1067 NZ LYS A 336 25.156 3.084 5.129 1.00 52.50 N +ATOM 1068 N ASP A 337 20.795 7.540 1.559 1.00 36.50 N +ATOM 1069 CA ASP A 337 21.336 8.764 0.962 1.00 35.26 C +ATOM 1070 C ASP A 337 21.031 10.092 1.648 1.00 33.61 C +ATOM 1071 O ASP A 337 21.678 11.100 1.353 1.00 32.49 O +ATOM 1072 CB ASP A 337 20.885 8.877 -0.498 1.00 34.76 C +ATOM 1073 CG ASP A 337 21.240 7.654 -1.311 1.00 37.47 C +ATOM 1074 OD1 ASP A 337 22.327 7.094 -1.094 1.00 35.58 O +ATOM 1075 OD2 ASP A 337 20.439 7.255 -2.175 1.00 39.81 O +ATOM 1076 N GLY A 338 20.050 10.114 2.542 1.00 31.73 N +ATOM 1077 CA GLY A 338 19.731 11.373 3.191 1.00 31.56 C +ATOM 1078 C GLY A 338 18.513 11.341 4.085 1.00 30.58 C +ATOM 1079 O GLY A 338 17.993 10.273 4.412 1.00 29.88 O +ATOM 1080 N VAL A 339 18.053 12.529 4.464 1.00 29.33 N +ATOM 1081 CA VAL A 339 16.914 12.669 5.353 1.00 28.33 C +ATOM 1082 C VAL A 339 15.981 13.802 4.921 1.00 28.62 C +ATOM 1083 O VAL A 339 16.425 14.835 4.416 1.00 29.26 O +ATOM 1084 CB VAL A 339 17.408 12.932 6.793 1.00 28.49 C +ATOM 1085 CG1 VAL A 339 18.281 14.192 6.829 1.00 28.22 C +ATOM 1086 CG2 VAL A 339 16.240 13.073 7.726 1.00 28.75 C +ATOM 1087 N LEU A 340 14.686 13.595 5.113 1.00 28.71 N +ATOM 1088 CA LEU A 340 13.685 14.590 4.757 1.00 29.31 C +ATOM 1089 C LEU A 340 13.734 15.735 5.768 1.00 31.11 C +ATOM 1090 O LEU A 340 14.017 15.508 6.951 1.00 29.57 O +ATOM 1091 CB LEU A 340 12.275 13.974 4.804 1.00 26.99 C +ATOM 1092 CG LEU A 340 11.858 12.937 3.753 1.00 27.09 C +ATOM 1093 CD1 LEU A 340 10.441 12.431 4.052 1.00 20.69 C +ATOM 1094 CD2 LEU A 340 11.905 13.574 2.383 1.00 22.59 C +ATOM 1095 N ILE A 341 13.465 16.951 5.295 1.00 30.34 N +ATOM 1096 CA ILE A 341 13.424 18.131 6.155 1.00 32.82 C +ATOM 1097 C ILE A 341 12.241 19.011 5.756 1.00 32.59 C +ATOM 1098 O ILE A 341 11.625 18.803 4.710 1.00 32.97 O +ATOM 1099 CB ILE A 341 14.722 18.975 6.079 1.00 34.99 C +ATOM 1100 CG1 ILE A 341 14.880 19.596 4.693 1.00 35.67 C +ATOM 1101 CG2 ILE A 341 15.922 18.111 6.435 1.00 32.89 C +ATOM 1102 CD1 ILE A 341 16.044 20.584 4.598 1.00 35.53 C +ATOM 1103 N SER A 342 11.913 19.981 6.599 1.00 33.61 N +ATOM 1104 CA SER A 342 10.792 20.882 6.340 1.00 35.00 C +ATOM 1105 C SER A 342 9.512 20.125 6.028 1.00 35.79 C +ATOM 1106 O SER A 342 8.966 20.248 4.926 1.00 38.25 O +ATOM 1107 CB SER A 342 11.100 21.808 5.164 1.00 34.70 C +ATOM 1108 OG SER A 342 12.484 22.103 5.102 1.00 39.63 O +ATOM 1109 N GLU A 343 9.035 19.335 6.981 1.00 36.61 N +ATOM 1110 CA GLU A 343 7.789 18.589 6.797 1.00 40.54 C +ATOM 1111 C GLU A 343 7.767 17.736 5.524 1.00 39.30 C +ATOM 1112 O GLU A 343 6.688 17.433 5.003 1.00 40.74 O +ATOM 1113 CB GLU A 343 6.605 19.559 6.724 1.00 44.95 C +ATOM 1114 CG GLU A 343 6.577 20.676 7.759 1.00 52.48 C +ATOM 1115 CD GLU A 343 5.517 21.731 7.432 1.00 57.10 C +ATOM 1116 OE1 GLU A 343 5.778 22.598 6.572 1.00 57.80 O +ATOM 1117 OE2 GLU A 343 4.412 21.677 8.021 1.00 60.93 O +ATOM 1118 N GLY A 344 8.936 17.375 5.006 1.00 37.11 N +ATOM 1119 CA GLY A 344 8.988 16.559 3.804 1.00 36.83 C +ATOM 1120 C GLY A 344 9.127 17.287 2.467 1.00 35.55 C +ATOM 1121 O GLY A 344 9.197 16.647 1.423 1.00 35.55 O +ATOM 1122 N GLN A 345 9.180 18.613 2.485 1.00 36.01 N +ATOM 1123 CA GLN A 345 9.309 19.394 1.249 1.00 35.51 C +ATOM 1124 C GLN A 345 10.739 19.375 0.721 1.00 34.11 C +ATOM 1125 O GLN A 345 10.985 19.649 -0.456 1.00 36.66 O +ATOM 1126 CB GLN A 345 8.910 20.844 1.496 1.00 36.81 C +ATOM 1127 CG GLN A 345 7.591 21.032 2.184 1.00 39.70 C +ATOM 1128 CD GLN A 345 7.379 22.474 2.592 1.00 44.24 C +ATOM 1129 OE1 GLN A 345 7.396 23.376 1.752 1.00 47.82 O +ATOM 1130 NE2 GLN A 345 7.183 22.704 3.889 1.00 42.83 N +ATOM 1131 N GLY A 346 11.686 19.066 1.599 1.00 33.40 N +ATOM 1132 CA GLY A 346 13.078 19.030 1.190 1.00 31.03 C +ATOM 1133 C GLY A 346 13.728 17.724 1.578 1.00 31.08 C +ATOM 1134 O GLY A 346 13.168 16.950 2.352 1.00 31.32 O +ATOM 1135 N PHE A 347 14.910 17.475 1.032 1.00 30.38 N +ATOM 1136 CA PHE A 347 15.657 16.260 1.321 1.00 30.09 C +ATOM 1137 C PHE A 347 17.114 16.684 1.368 1.00 31.48 C +ATOM 1138 O PHE A 347 17.654 17.169 0.380 1.00 33.07 O +ATOM 1139 CB PHE A 347 15.447 15.230 0.201 1.00 27.28 C +ATOM 1140 CG PHE A 347 16.166 13.918 0.420 1.00 26.11 C +ATOM 1141 CD1 PHE A 347 15.653 12.960 1.293 1.00 24.54 C +ATOM 1142 CD2 PHE A 347 17.326 13.617 -0.296 1.00 26.85 C +ATOM 1143 CE1 PHE A 347 16.277 11.712 1.445 1.00 27.17 C +ATOM 1144 CE2 PHE A 347 17.969 12.365 -0.155 1.00 25.74 C +ATOM 1145 CZ PHE A 347 17.443 11.411 0.714 1.00 26.51 C +ATOM 1146 N MET A 348 17.746 16.511 2.517 1.00 33.16 N +ATOM 1147 CA MET A 348 19.142 16.882 2.666 1.00 34.78 C +ATOM 1148 C MET A 348 20.018 15.626 2.632 1.00 35.67 C +ATOM 1149 O MET A 348 19.842 14.697 3.426 1.00 34.97 O +ATOM 1150 CB MET A 348 19.335 17.652 3.981 1.00 36.32 C +ATOM 1151 CG MET A 348 20.659 18.390 4.102 1.00 38.63 C +ATOM 1152 SD MET A 348 20.673 19.525 5.542 1.00 42.46 S +ATOM 1153 CE MET A 348 19.774 20.901 4.863 1.00 40.50 C +ATOM 1154 N THR A 349 20.961 15.625 1.699 1.00 33.23 N +ATOM 1155 CA THR A 349 21.885 14.525 1.479 1.00 33.93 C +ATOM 1156 C THR A 349 22.801 14.138 2.661 1.00 34.87 C +ATOM 1157 O THR A 349 23.323 14.995 3.383 1.00 32.47 O +ATOM 1158 CB THR A 349 22.739 14.849 0.240 1.00 33.02 C +ATOM 1159 OG1 THR A 349 21.991 14.536 -0.945 1.00 39.52 O +ATOM 1160 CG2 THR A 349 24.021 14.093 0.250 1.00 38.83 C +ATOM 1161 N ARG A 350 22.986 12.832 2.841 1.00 32.61 N +ATOM 1162 CA ARG A 350 23.837 12.307 3.892 1.00 34.83 C +ATOM 1163 C ARG A 350 25.274 12.804 3.712 1.00 36.84 C +ATOM 1164 O ARG A 350 25.946 13.167 4.678 1.00 34.22 O +ATOM 1165 CB ARG A 350 23.826 10.781 3.845 1.00 35.32 C +ATOM 1166 CG ARG A 350 24.783 10.104 4.818 1.00 33.09 C +ATOM 1167 CD ARG A 350 24.587 8.591 4.759 1.00 32.06 C +ATOM 1168 NE ARG A 350 25.345 7.869 5.780 1.00 29.51 N +ATOM 1169 CZ ARG A 350 25.276 6.552 5.959 1.00 33.30 C +ATOM 1170 NH1 ARG A 350 24.486 5.819 5.187 1.00 33.90 N +ATOM 1171 NH2 ARG A 350 25.997 5.959 6.907 1.00 34.83 N +ATOM 1172 N GLU A 351 25.723 12.810 2.460 1.00 38.40 N +ATOM 1173 CA GLU A 351 27.067 13.240 2.101 1.00 41.85 C +ATOM 1174 C GLU A 351 27.273 14.739 2.351 1.00 41.63 C +ATOM 1175 O GLU A 351 28.345 15.156 2.770 1.00 41.02 O +ATOM 1176 CB GLU A 351 27.325 12.920 0.627 1.00 44.16 C +ATOM 1177 CG GLU A 351 28.710 12.410 0.353 1.00 50.17 C +ATOM 1178 CD GLU A 351 28.950 11.059 0.994 1.00 53.65 C +ATOM 1179 OE1 GLU A 351 28.340 10.078 0.524 1.00 56.45 O +ATOM 1180 OE2 GLU A 351 29.735 10.978 1.967 1.00 53.75 O +ATOM 1181 N PHE A 352 26.250 15.547 2.080 1.00 41.53 N +ATOM 1182 CA PHE A 352 26.351 16.987 2.305 1.00 42.13 C +ATOM 1183 C PHE A 352 26.553 17.219 3.797 1.00 44.32 C +ATOM 1184 O PHE A 352 27.439 17.968 4.205 1.00 45.81 O +ATOM 1185 CB PHE A 352 25.074 17.697 1.848 1.00 39.82 C +ATOM 1186 CG PHE A 352 25.033 19.165 2.187 1.00 39.18 C +ATOM 1187 CD1 PHE A 352 25.970 20.044 1.662 1.00 41.47 C +ATOM 1188 CD2 PHE A 352 24.039 19.674 3.007 1.00 40.23 C +ATOM 1189 CE1 PHE A 352 25.912 21.416 1.949 1.00 40.80 C +ATOM 1190 CE2 PHE A 352 23.970 21.043 3.302 1.00 39.82 C +ATOM 1191 CZ PHE A 352 24.906 21.910 2.771 1.00 39.94 C +ATOM 1192 N LEU A 353 25.719 16.564 4.601 1.00 44.02 N +ATOM 1193 CA LEU A 353 25.779 16.672 6.052 1.00 45.68 C +ATOM 1194 C LEU A 353 27.134 16.291 6.625 1.00 47.51 C +ATOM 1195 O LEU A 353 27.660 16.979 7.503 1.00 46.16 O +ATOM 1196 CB LEU A 353 24.703 15.793 6.688 1.00 42.09 C +ATOM 1197 CG LEU A 353 23.323 16.444 6.714 1.00 43.16 C +ATOM 1198 CD1 LEU A 353 22.241 15.389 6.882 1.00 39.68 C +ATOM 1199 CD2 LEU A 353 23.290 17.485 7.846 1.00 42.92 C +ATOM 1200 N LYS A 354 27.695 15.194 6.124 1.00 48.81 N +ATOM 1201 CA LYS A 354 28.978 14.711 6.608 1.00 50.12 C +ATOM 1202 C LYS A 354 30.145 15.613 6.189 1.00 50.15 C +ATOM 1203 O LYS A 354 31.247 15.480 6.706 1.00 49.86 O +ATOM 1204 CB LYS A 354 29.200 13.277 6.118 1.00 52.16 C +ATOM 1205 CG LYS A 354 30.333 12.532 6.812 1.00 55.50 C +ATOM 1206 CD LYS A 354 30.390 11.067 6.378 1.00 57.43 C +ATOM 1207 CE LYS A 354 30.726 10.928 4.898 1.00 59.75 C +ATOM 1208 NZ LYS A 354 30.658 9.510 4.441 1.00 60.97 N +ATOM 1209 N SER A 355 29.899 16.542 5.269 1.00 50.86 N +ATOM 1210 CA SER A 355 30.957 17.442 4.806 1.00 51.37 C +ATOM 1211 C SER A 355 30.947 18.805 5.509 1.00 52.02 C +ATOM 1212 O SER A 355 31.638 19.733 5.089 1.00 51.80 O +ATOM 1213 CB SER A 355 30.849 17.661 3.296 1.00 47.86 C +ATOM 1214 OG SER A 355 29.675 18.385 2.977 1.00 48.66 O +ATOM 1215 N LEU A 356 30.163 18.931 6.571 1.00 51.99 N +ATOM 1216 CA LEU A 356 30.106 20.192 7.300 1.00 53.76 C +ATOM 1217 C LEU A 356 31.341 20.361 8.189 1.00 55.42 C +ATOM 1218 O LEU A 356 32.068 19.396 8.436 1.00 55.58 O +ATOM 1219 CB LEU A 356 28.831 20.247 8.143 1.00 50.92 C +ATOM 1220 CG LEU A 356 27.558 20.195 7.295 1.00 50.36 C +ATOM 1221 CD1 LEU A 356 26.322 20.142 8.184 1.00 46.44 C +ATOM 1222 CD2 LEU A 356 27.523 21.410 6.383 1.00 49.22 C +ATOM 1223 N ARG A 357 31.565 21.589 8.662 1.00 58.08 N +ATOM 1224 CA ARG A 357 32.708 21.924 9.519 1.00 60.29 C +ATOM 1225 C ARG A 357 33.106 20.827 10.495 1.00 59.85 C +ATOM 1226 O ARG A 357 32.256 20.205 11.121 1.00 60.48 O +ATOM 1227 CB ARG A 357 32.431 23.199 10.320 1.00 62.94 C +ATOM 1228 CG ARG A 357 33.539 23.530 11.325 1.00 65.37 C +ATOM 1229 CD ARG A 357 33.037 24.415 12.454 1.00 67.29 C +ATOM 1230 NE ARG A 357 32.676 25.753 12.003 1.00 67.40 N +ATOM 1231 CZ ARG A 357 32.080 26.655 12.774 1.00 69.16 C +ATOM 1232 NH1 ARG A 357 31.778 26.351 14.027 1.00 69.57 N +ATOM 1233 NH2 ARG A 357 31.802 27.865 12.303 1.00 70.93 N +ATOM 1234 N LYS A 358 34.415 20.637 10.627 1.00 60.75 N +ATOM 1235 CA LYS A 358 35.031 19.635 11.498 1.00 61.67 C +ATOM 1236 C LYS A 358 34.127 18.922 12.500 1.00 61.45 C +ATOM 1237 O LYS A 358 33.938 17.704 12.408 1.00 64.31 O +ATOM 1238 CB LYS A 358 36.221 20.254 12.242 1.00 62.21 C +ATOM 1239 CG LYS A 358 37.203 20.997 11.341 1.00 63.89 C +ATOM 1240 CD LYS A 358 37.706 20.112 10.208 1.00 63.82 C +ATOM 1241 CE LYS A 358 38.797 20.804 9.414 1.00 63.67 C +ATOM 1242 NZ LYS A 358 39.380 19.909 8.374 1.00 64.94 N +ATOM 1243 N PRO A 359 33.562 19.655 13.476 1.00 59.75 N +ATOM 1244 CA PRO A 359 32.697 18.956 14.434 1.00 58.55 C +ATOM 1245 C PRO A 359 31.276 18.664 13.934 1.00 57.10 C +ATOM 1246 O PRO A 359 30.760 17.563 14.138 1.00 57.73 O +ATOM 1247 CB PRO A 359 32.721 19.880 15.649 1.00 57.61 C +ATOM 1248 CG PRO A 359 32.791 21.232 15.024 1.00 58.16 C +ATOM 1249 CD PRO A 359 33.780 21.056 13.884 1.00 58.16 C +ATOM 1250 N PHE A 360 30.648 19.640 13.282 1.00 54.11 N +ATOM 1251 CA PHE A 360 29.287 19.462 12.780 1.00 51.85 C +ATOM 1252 C PHE A 360 29.160 18.362 11.725 1.00 51.78 C +ATOM 1253 O PHE A 360 28.095 17.765 11.564 1.00 49.72 O +ATOM 1254 CB PHE A 360 28.759 20.775 12.201 1.00 47.76 C +ATOM 1255 CG PHE A 360 28.605 21.861 13.218 1.00 48.97 C +ATOM 1256 CD1 PHE A 360 29.509 22.916 13.275 1.00 49.73 C +ATOM 1257 CD2 PHE A 360 27.576 21.813 14.146 1.00 49.29 C +ATOM 1258 CE1 PHE A 360 29.390 23.905 14.244 1.00 49.17 C +ATOM 1259 CE2 PHE A 360 27.447 22.795 15.120 1.00 49.30 C +ATOM 1260 CZ PHE A 360 28.356 23.844 15.170 1.00 50.24 C +ATOM 1261 N GLY A 361 30.254 18.089 11.021 1.00 51.69 N +ATOM 1262 CA GLY A 361 30.231 17.086 9.973 1.00 51.56 C +ATOM 1263 C GLY A 361 29.936 15.658 10.390 1.00 51.97 C +ATOM 1264 O GLY A 361 29.764 14.793 9.533 1.00 53.15 O +ATOM 1265 N ASP A 362 29.875 15.389 11.689 1.00 51.64 N +ATOM 1266 CA ASP A 362 29.600 14.031 12.133 1.00 52.06 C +ATOM 1267 C ASP A 362 28.494 13.903 13.172 1.00 48.88 C +ATOM 1268 O ASP A 362 28.454 12.939 13.931 1.00 47.45 O +ATOM 1269 CB ASP A 362 30.886 13.376 12.654 1.00 56.38 C +ATOM 1270 CG ASP A 362 31.664 14.276 13.578 1.00 59.82 C +ATOM 1271 OD1 ASP A 362 31.051 14.826 14.518 1.00 62.39 O +ATOM 1272 OD2 ASP A 362 32.890 14.427 13.367 1.00 62.33 O +ATOM 1273 N PHE A 363 27.595 14.876 13.207 1.00 46.53 N +ATOM 1274 CA PHE A 363 26.488 14.825 14.144 1.00 47.26 C +ATOM 1275 C PHE A 363 25.427 13.827 13.682 1.00 45.63 C +ATOM 1276 O PHE A 363 24.849 13.111 14.495 1.00 45.27 O +ATOM 1277 CB PHE A 363 25.845 16.209 14.288 1.00 50.94 C +ATOM 1278 CG PHE A 363 26.158 16.892 15.592 1.00 55.74 C +ATOM 1279 CD1 PHE A 363 25.642 16.401 16.791 1.00 56.14 C +ATOM 1280 CD2 PHE A 363 26.978 18.018 15.626 1.00 56.18 C +ATOM 1281 CE1 PHE A 363 25.942 17.022 18.006 1.00 57.44 C +ATOM 1282 CE2 PHE A 363 27.282 18.644 16.837 1.00 57.54 C +ATOM 1283 CZ PHE A 363 26.762 18.144 18.029 1.00 56.13 C +ATOM 1284 N MET A 364 25.197 13.769 12.372 1.00 43.95 N +ATOM 1285 CA MET A 364 24.174 12.898 11.801 1.00 43.07 C +ATOM 1286 C MET A 364 24.556 11.476 11.375 1.00 42.79 C +ATOM 1287 O MET A 364 23.701 10.586 11.379 1.00 40.40 O +ATOM 1288 CB MET A 364 23.518 13.602 10.617 1.00 41.63 C +ATOM 1289 CG MET A 364 22.729 14.846 10.993 1.00 42.99 C +ATOM 1290 SD MET A 364 21.377 14.501 12.135 1.00 47.57 S +ATOM 1291 CE MET A 364 20.234 13.668 11.077 1.00 41.80 C +ATOM 1292 N GLU A 365 25.819 11.259 11.018 1.00 41.76 N +ATOM 1293 CA GLU A 365 26.274 9.943 10.563 1.00 42.13 C +ATOM 1294 C GLU A 365 25.836 8.785 11.479 1.00 42.03 C +ATOM 1295 O GLU A 365 25.395 7.733 11.011 1.00 41.36 O +ATOM 1296 CB GLU A 365 27.796 9.958 10.404 1.00 44.33 C +ATOM 1297 CG GLU A 365 28.360 8.826 9.569 1.00 47.07 C +ATOM 1298 CD GLU A 365 27.743 8.762 8.193 1.00 48.05 C +ATOM 1299 OE1 GLU A 365 27.311 9.814 7.682 1.00 49.22 O +ATOM 1300 OE2 GLU A 365 27.698 7.660 7.614 1.00 50.61 O +ATOM 1301 N PRO A 366 25.962 8.953 12.799 1.00 41.55 N +ATOM 1302 CA PRO A 366 25.524 7.828 13.631 1.00 41.01 C +ATOM 1303 C PRO A 366 24.004 7.610 13.610 1.00 40.68 C +ATOM 1304 O PRO A 366 23.525 6.511 13.910 1.00 39.08 O +ATOM 1305 CB PRO A 366 26.072 8.178 15.018 1.00 41.49 C +ATOM 1306 CG PRO A 366 26.240 9.674 14.972 1.00 42.97 C +ATOM 1307 CD PRO A 366 26.749 9.920 13.581 1.00 42.19 C +ATOM 1308 N ALYS A 367 23.247 8.648 13.256 0.50 39.45 N +ATOM 1309 N BLYS A 367 23.256 8.653 13.253 0.50 39.79 N +ATOM 1310 CA ALYS A 367 21.794 8.519 13.199 0.50 38.30 C +ATOM 1311 CA BLYS A 367 21.800 8.559 13.183 0.50 38.91 C +ATOM 1312 C ALYS A 367 21.454 7.745 11.924 0.50 36.94 C +ATOM 1313 C BLYS A 367 21.460 7.753 11.930 0.50 37.35 C +ATOM 1314 O ALYS A 367 20.538 6.924 11.910 0.50 35.93 O +ATOM 1315 O BLYS A 367 20.553 6.921 11.934 0.50 36.27 O +ATOM 1316 CB ALYS A 367 21.117 9.896 13.174 0.50 39.97 C +ATOM 1317 CB BLYS A 367 21.174 9.953 13.068 0.50 41.35 C +ATOM 1318 CG ALYS A 367 21.786 10.958 14.051 0.50 41.88 C +ATOM 1319 CG BLYS A 367 21.804 11.023 13.958 0.50 44.09 C +ATOM 1320 CD ALYS A 367 22.003 10.483 15.469 0.50 40.31 C +ATOM 1321 CD BLYS A 367 21.317 10.959 15.385 0.50 43.36 C +ATOM 1322 CE ALYS A 367 22.976 11.394 16.213 0.50 42.58 C +ATOM 1323 CE BLYS A 367 22.076 11.952 16.254 0.50 45.63 C +ATOM 1324 NZ ALYS A 367 22.490 12.798 16.384 0.50 41.59 N +ATOM 1325 NZ BLYS A 367 23.521 11.594 16.364 0.50 45.94 N +ATOM 1326 N PHE A 368 22.209 8.013 10.862 1.00 36.24 N +ATOM 1327 CA PHE A 368 22.024 7.341 9.581 1.00 34.54 C +ATOM 1328 C PHE A 368 22.369 5.862 9.690 1.00 36.24 C +ATOM 1329 O PHE A 368 21.629 5.003 9.203 1.00 35.63 O +ATOM 1330 CB PHE A 368 22.925 7.969 8.521 1.00 33.41 C +ATOM 1331 CG PHE A 368 22.350 9.190 7.875 1.00 34.93 C +ATOM 1332 CD1 PHE A 368 21.242 9.091 7.038 1.00 32.83 C +ATOM 1333 CD2 PHE A 368 22.924 10.442 8.090 1.00 35.05 C +ATOM 1334 CE1 PHE A 368 20.711 10.219 6.421 1.00 35.08 C +ATOM 1335 CE2 PHE A 368 22.404 11.582 7.477 1.00 36.02 C +ATOM 1336 CZ PHE A 368 21.293 11.471 6.639 1.00 36.42 C +ATOM 1337 N GLU A 369 23.504 5.568 10.319 1.00 37.11 N +ATOM 1338 CA GLU A 369 23.946 4.188 10.477 1.00 37.72 C +ATOM 1339 C GLU A 369 22.899 3.400 11.229 1.00 36.39 C +ATOM 1340 O GLU A 369 22.640 2.231 10.926 1.00 35.79 O +ATOM 1341 CB GLU A 369 25.282 4.129 11.227 1.00 40.74 C +ATOM 1342 CG GLU A 369 26.468 4.638 10.413 1.00 44.41 C +ATOM 1343 CD GLU A 369 27.799 4.453 11.125 1.00 49.02 C +ATOM 1344 OE1 GLU A 369 28.149 3.298 11.443 1.00 51.89 O +ATOM 1345 OE2 GLU A 369 28.500 5.460 11.365 1.00 52.18 O +ATOM 1346 N PHE A 370 22.291 4.049 12.212 1.00 34.32 N +ATOM 1347 CA PHE A 370 21.257 3.411 13.008 1.00 32.83 C +ATOM 1348 C PHE A 370 19.992 3.250 12.181 1.00 33.24 C +ATOM 1349 O PHE A 370 19.343 2.203 12.208 1.00 31.60 O +ATOM 1350 CB PHE A 370 20.934 4.258 14.238 1.00 30.83 C +ATOM 1351 CG PHE A 370 19.592 3.953 14.842 1.00 30.52 C +ATOM 1352 CD1 PHE A 370 19.352 2.728 15.464 1.00 29.36 C +ATOM 1353 CD2 PHE A 370 18.564 4.887 14.785 1.00 27.50 C +ATOM 1354 CE1 PHE A 370 18.111 2.441 16.023 1.00 25.94 C +ATOM 1355 CE2 PHE A 370 17.322 4.607 15.339 1.00 30.08 C +ATOM 1356 CZ PHE A 370 17.097 3.379 15.961 1.00 29.08 C +ATOM 1357 N ALA A 371 19.643 4.304 11.454 1.00 32.62 N +ATOM 1358 CA ALA A 371 18.439 4.295 10.642 1.00 33.11 C +ATOM 1359 C ALA A 371 18.399 3.162 9.614 1.00 32.65 C +ATOM 1360 O ALA A 371 17.375 2.487 9.467 1.00 32.22 O +ATOM 1361 CB ALA A 371 18.276 5.644 9.947 1.00 30.96 C +ATOM 1362 N VAL A 372 19.503 2.951 8.905 1.00 32.67 N +ATOM 1363 CA VAL A 372 19.553 1.914 7.877 1.00 35.17 C +ATOM 1364 C VAL A 372 19.325 0.509 8.438 1.00 35.55 C +ATOM 1365 O VAL A 372 18.697 -0.326 7.788 1.00 35.12 O +ATOM 1366 CB VAL A 372 20.902 1.955 7.095 1.00 37.65 C +ATOM 1367 CG1 VAL A 372 21.030 0.724 6.198 1.00 39.46 C +ATOM 1368 CG2 VAL A 372 20.972 3.224 6.245 1.00 32.43 C +ATOM 1369 N LYS A 373 19.830 0.266 9.644 1.00 35.85 N +ATOM 1370 CA LYS A 373 19.682 -1.018 10.319 1.00 36.94 C +ATOM 1371 C LYS A 373 18.288 -1.111 10.922 1.00 35.69 C +ATOM 1372 O LYS A 373 17.652 -2.167 10.902 1.00 36.48 O +ATOM 1373 CB LYS A 373 20.730 -1.161 11.432 1.00 39.01 C +ATOM 1374 CG LYS A 373 22.171 -1.038 10.931 1.00 44.72 C +ATOM 1375 CD LYS A 373 23.201 -1.200 12.046 1.00 44.72 C +ATOM 1376 CE LYS A 373 23.046 -0.137 13.132 1.00 48.92 C +ATOM 1377 NZ LYS A 373 24.191 -0.156 14.101 1.00 44.25 N +ATOM 1378 N PHE A 374 17.815 0.000 11.467 1.00 31.48 N +ATOM 1379 CA PHE A 374 16.492 0.013 12.058 1.00 30.17 C +ATOM 1380 C PHE A 374 15.433 -0.170 10.980 1.00 28.93 C +ATOM 1381 O PHE A 374 14.503 -0.954 11.163 1.00 30.06 O +ATOM 1382 CB PHE A 374 16.230 1.326 12.796 1.00 28.95 C +ATOM 1383 CG PHE A 374 14.994 1.301 13.647 1.00 26.70 C +ATOM 1384 CD1 PHE A 374 15.020 0.732 14.920 1.00 26.11 C +ATOM 1385 CD2 PHE A 374 13.798 1.825 13.170 1.00 24.94 C +ATOM 1386 CE1 PHE A 374 13.871 0.684 15.709 1.00 26.85 C +ATOM 1387 CE2 PHE A 374 12.642 1.786 13.944 1.00 27.25 C +ATOM 1388 CZ PHE A 374 12.674 1.215 15.219 1.00 27.06 C +ATOM 1389 N ASN A 375 15.572 0.537 9.858 1.00 27.44 N +ATOM 1390 CA ASN A 375 14.575 0.428 8.798 1.00 29.13 C +ATOM 1391 C ASN A 375 14.507 -0.959 8.154 1.00 30.64 C +ATOM 1392 O ASN A 375 13.508 -1.298 7.508 1.00 30.30 O +ATOM 1393 CB ASN A 375 14.784 1.511 7.724 1.00 26.35 C +ATOM 1394 CG ASN A 375 14.593 2.937 8.274 1.00 26.60 C +ATOM 1395 OD1 ASN A 375 13.892 3.154 9.265 1.00 25.02 O +ATOM 1396 ND2 ASN A 375 15.212 3.908 7.617 1.00 22.00 N +ATOM 1397 N ALA A 376 15.549 -1.770 8.327 1.00 31.35 N +ATOM 1398 CA ALA A 376 15.521 -3.121 7.765 1.00 33.56 C +ATOM 1399 C ALA A 376 14.438 -3.933 8.486 1.00 34.46 C +ATOM 1400 O ALA A 376 13.987 -4.962 7.986 1.00 36.49 O +ATOM 1401 CB ALA A 376 16.877 -3.801 7.922 1.00 32.58 C +ATOM 1402 N LEU A 377 14.017 -3.466 9.660 1.00 32.77 N +ATOM 1403 CA LEU A 377 12.969 -4.158 10.409 1.00 31.74 C +ATOM 1404 C LEU A 377 11.612 -3.975 9.742 1.00 29.85 C +ATOM 1405 O LEU A 377 10.666 -4.713 10.023 1.00 28.03 O +ATOM 1406 CB LEU A 377 12.908 -3.655 11.853 1.00 28.50 C +ATOM 1407 CG LEU A 377 14.140 -3.925 12.718 1.00 31.25 C +ATOM 1408 CD1 LEU A 377 13.787 -3.652 14.190 1.00 28.21 C +ATOM 1409 CD2 LEU A 377 14.600 -5.380 12.544 1.00 30.11 C +ATOM 1410 N GLU A 378 11.530 -2.984 8.860 1.00 31.48 N +ATOM 1411 CA GLU A 378 10.308 -2.683 8.104 1.00 32.52 C +ATOM 1412 C GLU A 378 9.060 -2.484 8.955 1.00 30.41 C +ATOM 1413 O GLU A 378 7.983 -2.994 8.641 1.00 31.21 O +ATOM 1414 CB GLU A 378 10.060 -3.785 7.067 1.00 34.36 C +ATOM 1415 CG GLU A 378 11.251 -4.014 6.141 1.00 39.32 C +ATOM 1416 CD GLU A 378 10.950 -4.984 5.007 1.00 45.37 C +ATOM 1417 OE1 GLU A 378 10.192 -4.616 4.089 1.00 51.14 O +ATOM 1418 OE2 GLU A 378 11.467 -6.119 5.029 1.00 49.09 O +ATOM 1419 N LEU A 379 9.202 -1.743 10.043 1.00 29.38 N +ATOM 1420 CA LEU A 379 8.062 -1.487 10.909 1.00 29.51 C +ATOM 1421 C LEU A 379 7.198 -0.403 10.279 1.00 28.80 C +ATOM 1422 O LEU A 379 7.678 0.373 9.453 1.00 29.66 O +ATOM 1423 CB LEU A 379 8.538 -1.007 12.280 1.00 28.96 C +ATOM 1424 CG LEU A 379 9.419 -1.946 13.102 1.00 30.33 C +ATOM 1425 CD1 LEU A 379 9.749 -1.276 14.441 1.00 29.32 C +ATOM 1426 CD2 LEU A 379 8.685 -3.263 13.327 1.00 26.78 C +ATOM 1427 N ASP A 380 5.923 -0.357 10.646 1.00 28.95 N +ATOM 1428 CA ASP A 380 5.060 0.693 10.126 1.00 31.24 C +ATOM 1429 C ASP A 380 4.543 1.504 11.310 1.00 30.08 C +ATOM 1430 O ASP A 380 4.764 1.123 12.457 1.00 30.43 O +ATOM 1431 CB ASP A 380 3.904 0.127 9.300 1.00 30.04 C +ATOM 1432 CG ASP A 380 3.044 -0.815 10.074 1.00 32.38 C +ATOM 1433 OD1 ASP A 380 2.838 -0.561 11.275 1.00 32.17 O +ATOM 1434 OD2 ASP A 380 2.559 -1.806 9.468 1.00 34.64 O +ATOM 1435 N ASP A 381 3.872 2.619 11.034 1.00 28.00 N +ATOM 1436 CA ASP A 381 3.372 3.485 12.090 1.00 27.96 C +ATOM 1437 C ASP A 381 2.589 2.755 13.172 1.00 27.94 C +ATOM 1438 O ASP A 381 2.712 3.081 14.348 1.00 28.90 O +ATOM 1439 CB ASP A 381 2.514 4.606 11.486 1.00 29.86 C +ATOM 1440 CG ASP A 381 3.317 5.534 10.593 1.00 30.69 C +ATOM 1441 OD1 ASP A 381 4.319 6.101 11.080 1.00 33.43 O +ATOM 1442 OD2 ASP A 381 2.955 5.702 9.408 1.00 29.93 O +ATOM 1443 N SER A 382 1.771 1.777 12.791 1.00 26.51 N +ATOM 1444 CA SER A 382 1.004 1.046 13.794 1.00 27.23 C +ATOM 1445 C SER A 382 1.951 0.314 14.760 1.00 26.87 C +ATOM 1446 O SER A 382 1.625 0.141 15.932 1.00 27.42 O +ATOM 1447 CB SER A 382 0.057 0.052 13.134 1.00 24.97 C +ATOM 1448 OG SER A 382 0.801 -1.005 12.553 1.00 30.86 O +ATOM 1449 N ASP A 383 3.116 -0.113 14.275 1.00 25.67 N +ATOM 1450 CA ASP A 383 4.090 -0.787 15.147 1.00 27.24 C +ATOM 1451 C ASP A 383 4.857 0.239 16.012 1.00 25.93 C +ATOM 1452 O ASP A 383 5.000 0.090 17.235 1.00 20.47 O +ATOM 1453 CB ASP A 383 5.129 -1.574 14.323 1.00 24.91 C +ATOM 1454 CG ASP A 383 4.505 -2.597 13.391 1.00 25.91 C +ATOM 1455 OD1 ASP A 383 3.608 -3.347 13.834 1.00 26.67 O +ATOM 1456 OD2 ASP A 383 4.932 -2.661 12.209 1.00 27.65 O +ATOM 1457 N LEU A 384 5.362 1.275 15.349 1.00 25.84 N +ATOM 1458 CA LEU A 384 6.138 2.308 16.015 1.00 26.37 C +ATOM 1459 C LEU A 384 5.384 2.958 17.157 1.00 28.41 C +ATOM 1460 O LEU A 384 5.954 3.218 18.223 1.00 28.83 O +ATOM 1461 CB LEU A 384 6.590 3.356 14.992 1.00 22.90 C +ATOM 1462 CG LEU A 384 7.642 2.843 13.994 1.00 23.75 C +ATOM 1463 CD1 LEU A 384 7.788 3.791 12.790 1.00 21.33 C +ATOM 1464 CD2 LEU A 384 8.972 2.698 14.722 1.00 22.31 C +ATOM 1465 N ALA A 385 4.095 3.193 16.952 1.00 28.78 N +ATOM 1466 CA ALA A 385 3.280 3.832 17.970 1.00 29.01 C +ATOM 1467 C ALA A 385 3.338 3.115 19.322 1.00 29.10 C +ATOM 1468 O ALA A 385 3.374 3.760 20.376 1.00 31.00 O +ATOM 1469 CB ALA A 385 1.821 3.956 17.471 1.00 27.73 C +ATOM 1470 N ILE A 386 3.349 1.785 19.318 1.00 29.49 N +ATOM 1471 CA ILE A 386 3.407 1.059 20.584 1.00 25.42 C +ATOM 1472 C ILE A 386 4.835 1.065 21.112 1.00 23.70 C +ATOM 1473 O ILE A 386 5.074 1.233 22.310 1.00 22.72 O +ATOM 1474 CB ILE A 386 2.936 -0.394 20.440 1.00 25.79 C +ATOM 1475 CG1 ILE A 386 1.595 -0.433 19.700 1.00 26.47 C +ATOM 1476 CG2 ILE A 386 2.763 -1.012 21.834 1.00 24.62 C +ATOM 1477 CD1 ILE A 386 1.083 -1.839 19.397 1.00 27.13 C +ATOM 1478 N PHE A 387 5.786 0.896 20.209 1.00 24.36 N +ATOM 1479 CA PHE A 387 7.194 0.884 20.582 1.00 27.80 C +ATOM 1480 C PHE A 387 7.577 2.184 21.305 1.00 27.97 C +ATOM 1481 O PHE A 387 8.202 2.173 22.368 1.00 27.30 O +ATOM 1482 CB PHE A 387 8.055 0.703 19.331 1.00 26.87 C +ATOM 1483 CG PHE A 387 9.526 0.711 19.607 1.00 28.22 C +ATOM 1484 CD1 PHE A 387 10.063 -0.106 20.606 1.00 29.79 C +ATOM 1485 CD2 PHE A 387 10.380 1.508 18.862 1.00 25.74 C +ATOM 1486 CE1 PHE A 387 11.434 -0.126 20.851 1.00 27.97 C +ATOM 1487 CE2 PHE A 387 11.750 1.501 19.096 1.00 27.29 C +ATOM 1488 CZ PHE A 387 12.279 0.680 20.096 1.00 29.79 C +ATOM 1489 N ILE A 388 7.181 3.301 20.719 1.00 27.95 N +ATOM 1490 CA ILE A 388 7.460 4.607 21.287 1.00 29.85 C +ATOM 1491 C ILE A 388 6.898 4.719 22.699 1.00 28.73 C +ATOM 1492 O ILE A 388 7.529 5.306 23.582 1.00 29.08 O +ATOM 1493 CB ILE A 388 6.880 5.694 20.372 1.00 34.35 C +ATOM 1494 CG1 ILE A 388 7.821 5.882 19.181 1.00 34.50 C +ATOM 1495 CG2 ILE A 388 6.636 6.980 21.142 1.00 37.03 C +ATOM 1496 CD1 ILE A 388 7.300 6.888 18.163 1.00 42.29 C +ATOM 1497 N ALA A 389 5.720 4.145 22.916 1.00 27.50 N +ATOM 1498 CA ALA A 389 5.094 4.164 24.239 1.00 26.63 C +ATOM 1499 C ALA A 389 5.911 3.292 25.202 1.00 26.57 C +ATOM 1500 O ALA A 389 6.080 3.634 26.371 1.00 24.05 O +ATOM 1501 CB ALA A 389 3.657 3.656 24.153 1.00 22.26 C +ATOM 1502 N VAL A 390 6.421 2.169 24.704 1.00 26.25 N +ATOM 1503 CA VAL A 390 7.229 1.278 25.539 1.00 26.04 C +ATOM 1504 C VAL A 390 8.483 2.022 26.010 1.00 26.08 C +ATOM 1505 O VAL A 390 8.882 1.940 27.163 1.00 24.64 O +ATOM 1506 CB VAL A 390 7.647 0.019 24.757 1.00 25.01 C +ATOM 1507 CG1 VAL A 390 8.787 -0.697 25.479 1.00 23.98 C +ATOM 1508 CG2 VAL A 390 6.441 -0.911 24.604 1.00 23.00 C +ATOM 1509 N ILE A 391 9.096 2.756 25.096 1.00 27.78 N +ATOM 1510 CA ILE A 391 10.278 3.522 25.411 1.00 28.87 C +ATOM 1511 C ILE A 391 10.049 4.510 26.538 1.00 31.75 C +ATOM 1512 O ILE A 391 10.846 4.573 27.467 1.00 32.81 O +ATOM 1513 CB ILE A 391 10.769 4.255 24.177 1.00 29.30 C +ATOM 1514 CG1 ILE A 391 11.319 3.225 23.196 1.00 27.66 C +ATOM 1515 CG2 ILE A 391 11.823 5.297 24.549 1.00 31.54 C +ATOM 1516 CD1 ILE A 391 11.632 3.764 21.861 1.00 28.22 C +ATOM 1517 N ILE A 392 8.951 5.260 26.477 1.00 32.50 N +ATOM 1518 CA ILE A 392 8.660 6.257 27.503 1.00 33.35 C +ATOM 1519 C ILE A 392 8.447 5.644 28.880 1.00 32.17 C +ATOM 1520 O ILE A 392 8.967 6.142 29.879 1.00 33.49 O +ATOM 1521 CB ILE A 392 7.395 7.090 27.152 1.00 33.56 C +ATOM 1522 CG1 ILE A 392 7.591 7.810 25.825 1.00 36.59 C +ATOM 1523 CG2 ILE A 392 7.121 8.105 28.248 1.00 32.31 C +ATOM 1524 CD1 ILE A 392 6.358 8.573 25.349 1.00 37.46 C +ATOM 1525 N LEU A 393 7.673 4.570 28.932 1.00 31.66 N +ATOM 1526 CA LEU A 393 7.379 3.912 30.191 1.00 33.94 C +ATOM 1527 C LEU A 393 8.469 2.928 30.636 1.00 35.28 C +ATOM 1528 O LEU A 393 8.213 1.737 30.826 1.00 34.99 O +ATOM 1529 CB LEU A 393 6.018 3.210 30.089 1.00 34.26 C +ATOM 1530 CG LEU A 393 4.787 4.121 30.238 1.00 34.78 C +ATOM 1531 CD1 LEU A 393 4.672 4.572 31.677 1.00 34.54 C +ATOM 1532 CD2 LEU A 393 4.883 5.324 29.312 1.00 33.52 C +ATOM 1533 N SER A 394 9.682 3.441 30.811 1.00 35.67 N +ATOM 1534 CA SER A 394 10.806 2.616 31.235 1.00 38.86 C +ATOM 1535 C SER A 394 10.987 2.678 32.737 1.00 39.57 C +ATOM 1536 O SER A 394 11.165 3.758 33.307 1.00 38.92 O +ATOM 1537 CB SER A 394 12.099 3.086 30.572 1.00 40.62 C +ATOM 1538 OG SER A 394 11.944 3.173 29.167 1.00 44.34 O +ATOM 1539 N GLY A 395 10.955 1.514 33.377 1.00 40.24 N +ATOM 1540 CA GLY A 395 11.129 1.468 34.815 1.00 42.20 C +ATOM 1541 C GLY A 395 12.559 1.706 35.274 1.00 43.23 C +ATOM 1542 O GLY A 395 12.780 2.071 36.422 1.00 44.65 O +ATOM 1543 N ASP A 396 13.535 1.512 34.394 1.00 43.88 N +ATOM 1544 CA ASP A 396 14.925 1.716 34.784 1.00 46.28 C +ATOM 1545 C ASP A 396 15.480 3.121 34.520 1.00 46.41 C +ATOM 1546 O ASP A 396 16.685 3.270 34.312 1.00 46.96 O +ATOM 1547 CB ASP A 396 15.830 0.693 34.092 1.00 49.82 C +ATOM 1548 CG ASP A 396 15.423 -0.744 34.376 1.00 53.47 C +ATOM 1549 OD1 ASP A 396 15.196 -1.090 35.559 1.00 54.68 O +ATOM 1550 OD2 ASP A 396 15.342 -1.533 33.409 1.00 57.06 O +ATOM 1551 N ARG A 397 14.627 4.144 34.509 1.00 44.21 N +ATOM 1552 CA ARG A 397 15.119 5.507 34.291 1.00 44.27 C +ATOM 1553 C ARG A 397 15.665 6.027 35.625 1.00 45.69 C +ATOM 1554 O ARG A 397 15.094 5.768 36.689 1.00 48.37 O +ATOM 1555 CB ARG A 397 14.002 6.440 33.799 1.00 42.70 C +ATOM 1556 CG ARG A 397 13.350 6.060 32.463 1.00 40.00 C +ATOM 1557 CD ARG A 397 14.369 5.915 31.327 1.00 38.82 C +ATOM 1558 NE ARG A 397 13.711 5.863 30.021 1.00 39.13 N +ATOM 1559 CZ ARG A 397 14.349 5.759 28.859 1.00 41.03 C +ATOM 1560 NH1 ARG A 397 15.670 5.683 28.830 1.00 40.40 N +ATOM 1561 NH2 ARG A 397 13.665 5.756 27.719 1.00 41.48 N +ATOM 1562 N PRO A 398 16.786 6.760 35.590 1.00 44.52 N +ATOM 1563 CA PRO A 398 17.360 7.285 36.834 1.00 43.20 C +ATOM 1564 C PRO A 398 16.451 8.286 37.547 1.00 42.87 C +ATOM 1565 O PRO A 398 15.874 9.157 36.906 1.00 42.05 O +ATOM 1566 CB PRO A 398 18.658 7.950 36.368 1.00 42.48 C +ATOM 1567 CG PRO A 398 19.002 7.215 35.109 1.00 43.96 C +ATOM 1568 CD PRO A 398 17.662 7.047 34.441 1.00 43.25 C +ATOM 1569 N GLY A 399 16.328 8.153 38.868 1.00 42.21 N +ATOM 1570 CA GLY A 399 15.525 9.083 39.646 1.00 41.27 C +ATOM 1571 C GLY A 399 14.041 8.827 39.853 1.00 42.23 C +ATOM 1572 O GLY A 399 13.386 9.597 40.550 1.00 42.77 O +ATOM 1573 N LEU A 400 13.493 7.772 39.261 1.00 42.45 N +ATOM 1574 CA LEU A 400 12.075 7.483 39.423 1.00 42.28 C +ATOM 1575 C LEU A 400 11.728 7.213 40.882 1.00 45.33 C +ATOM 1576 O LEU A 400 12.472 6.539 41.600 1.00 46.65 O +ATOM 1577 CB LEU A 400 11.674 6.278 38.569 1.00 41.41 C +ATOM 1578 CG LEU A 400 11.764 6.440 37.044 1.00 41.74 C +ATOM 1579 CD1 LEU A 400 11.561 5.088 36.370 1.00 39.39 C +ATOM 1580 CD2 LEU A 400 10.723 7.454 36.570 1.00 38.12 C +ATOM 1581 N LEU A 401 10.588 7.742 41.313 1.00 46.49 N +ATOM 1582 CA LEU A 401 10.120 7.558 42.678 1.00 46.91 C +ATOM 1583 C LEU A 401 9.303 6.272 42.795 1.00 48.55 C +ATOM 1584 O LEU A 401 9.602 5.407 43.621 1.00 47.70 O +ATOM 1585 CB LEU A 401 9.256 8.746 43.099 1.00 47.26 C +ATOM 1586 CG LEU A 401 9.890 10.134 42.979 1.00 48.58 C +ATOM 1587 CD1 LEU A 401 8.872 11.181 43.386 1.00 49.77 C +ATOM 1588 CD2 LEU A 401 11.131 10.227 43.851 1.00 49.16 C +ATOM 1589 N ASN A 402 8.278 6.152 41.953 1.00 49.60 N +ATOM 1590 CA ASN A 402 7.393 4.992 41.965 1.00 49.63 C +ATOM 1591 C ASN A 402 7.600 4.132 40.735 1.00 49.02 C +ATOM 1592 O ASN A 402 6.930 4.322 39.718 1.00 48.96 O +ATOM 1593 CB ASN A 402 5.937 5.445 42.005 1.00 52.45 C +ATOM 1594 CG ASN A 402 5.636 6.346 43.183 1.00 56.64 C +ATOM 1595 OD1 ASN A 402 4.613 7.038 43.199 1.00 58.93 O +ATOM 1596 ND2 ASN A 402 6.515 6.337 44.184 1.00 58.02 N +ATOM 1597 N VAL A 403 8.518 3.179 40.832 1.00 46.65 N +ATOM 1598 CA VAL A 403 8.814 2.292 39.720 1.00 44.75 C +ATOM 1599 C VAL A 403 7.696 1.313 39.380 1.00 44.82 C +ATOM 1600 O VAL A 403 7.397 1.114 38.205 1.00 44.29 O +ATOM 1601 CB VAL A 403 10.113 1.496 39.982 1.00 43.56 C +ATOM 1602 CG1 VAL A 403 10.229 0.324 39.019 1.00 43.08 C +ATOM 1603 CG2 VAL A 403 11.303 2.410 39.813 1.00 41.68 C +ATOM 1604 N LYS A 404 7.071 0.720 40.395 1.00 45.84 N +ATOM 1605 CA LYS A 404 6.016 -0.273 40.165 1.00 46.84 C +ATOM 1606 C LYS A 404 4.899 0.136 39.202 1.00 44.21 C +ATOM 1607 O LYS A 404 4.643 -0.563 38.221 1.00 45.67 O +ATOM 1608 CB LYS A 404 5.388 -0.734 41.484 1.00 49.21 C +ATOM 1609 CG LYS A 404 4.384 -1.868 41.274 1.00 55.14 C +ATOM 1610 CD LYS A 404 3.490 -2.116 42.480 1.00 59.59 C +ATOM 1611 CE LYS A 404 4.239 -2.763 43.635 1.00 62.43 C +ATOM 1612 NZ LYS A 404 3.306 -3.113 44.754 1.00 64.82 N +ATOM 1613 N PRO A 405 4.207 1.254 39.471 1.00 42.48 N +ATOM 1614 CA PRO A 405 3.138 1.638 38.541 1.00 40.79 C +ATOM 1615 C PRO A 405 3.633 1.812 37.102 1.00 39.19 C +ATOM 1616 O PRO A 405 2.924 1.469 36.156 1.00 38.97 O +ATOM 1617 CB PRO A 405 2.583 2.930 39.148 1.00 40.86 C +ATOM 1618 CG PRO A 405 3.719 3.461 39.970 1.00 44.36 C +ATOM 1619 CD PRO A 405 4.323 2.220 40.576 1.00 43.01 C +ATOM 1620 N ILE A 406 4.854 2.319 36.946 1.00 37.29 N +ATOM 1621 CA ILE A 406 5.448 2.514 35.626 1.00 36.76 C +ATOM 1622 C ILE A 406 5.648 1.176 34.906 1.00 37.57 C +ATOM 1623 O ILE A 406 5.359 1.055 33.713 1.00 35.17 O +ATOM 1624 CB ILE A 406 6.814 3.253 35.739 1.00 37.15 C +ATOM 1625 CG1 ILE A 406 6.577 4.738 36.018 1.00 34.57 C +ATOM 1626 CG2 ILE A 406 7.623 3.092 34.460 1.00 34.28 C +ATOM 1627 CD1 ILE A 406 7.816 5.479 36.446 1.00 33.39 C +ATOM 1628 N GLU A 407 6.133 0.171 35.633 1.00 38.07 N +ATOM 1629 CA GLU A 407 6.366 -1.146 35.044 1.00 39.68 C +ATOM 1630 C GLU A 407 5.067 -1.885 34.739 1.00 39.83 C +ATOM 1631 O GLU A 407 5.006 -2.676 33.790 1.00 38.21 O +ATOM 1632 CB GLU A 407 7.243 -1.996 35.961 1.00 41.88 C +ATOM 1633 CG GLU A 407 8.559 -1.332 36.338 1.00 46.09 C +ATOM 1634 CD GLU A 407 9.498 -2.279 37.069 1.00 49.24 C +ATOM 1635 OE1 GLU A 407 9.010 -3.057 37.920 1.00 47.28 O +ATOM 1636 OE2 GLU A 407 10.723 -2.237 36.796 1.00 52.12 O +ATOM 1637 N ASP A 408 4.028 -1.638 35.537 1.00 39.66 N +ATOM 1638 CA ASP A 408 2.743 -2.286 35.287 1.00 40.26 C +ATOM 1639 C ASP A 408 2.203 -1.802 33.944 1.00 38.89 C +ATOM 1640 O ASP A 408 1.603 -2.567 33.191 1.00 40.63 O +ATOM 1641 CB ASP A 408 1.732 -1.965 36.393 1.00 41.97 C +ATOM 1642 CG ASP A 408 2.088 -2.620 37.716 1.00 45.98 C +ATOM 1643 OD1 ASP A 408 2.815 -3.644 37.708 1.00 46.00 O +ATOM 1644 OD2 ASP A 408 1.626 -2.118 38.763 1.00 46.80 O +ATOM 1645 N ILE A 409 2.418 -0.527 33.650 1.00 35.92 N +ATOM 1646 CA ILE A 409 1.967 0.036 32.393 1.00 35.48 C +ATOM 1647 C ILE A 409 2.818 -0.488 31.246 1.00 35.33 C +ATOM 1648 O ILE A 409 2.272 -0.898 30.218 1.00 33.65 O +ATOM 1649 CB ILE A 409 2.031 1.580 32.403 1.00 36.21 C +ATOM 1650 CG1 ILE A 409 0.915 2.134 33.290 1.00 34.93 C +ATOM 1651 CG2 ILE A 409 1.903 2.123 30.980 1.00 36.25 C +ATOM 1652 CD1 ILE A 409 0.981 3.635 33.492 1.00 36.64 C +ATOM 1653 N GLN A 410 4.144 -0.490 31.413 1.00 34.36 N +ATOM 1654 CA GLN A 410 5.010 -0.980 30.343 1.00 34.73 C +ATOM 1655 C GLN A 410 4.739 -2.441 30.036 1.00 35.53 C +ATOM 1656 O GLN A 410 4.788 -2.845 28.878 1.00 38.40 O +ATOM 1657 CB GLN A 410 6.498 -0.820 30.670 1.00 32.71 C +ATOM 1658 CG GLN A 410 7.337 -0.557 29.411 1.00 34.79 C +ATOM 1659 CD GLN A 410 8.793 -0.976 29.533 1.00 37.96 C +ATOM 1660 OE1 GLN A 410 9.710 -0.232 29.148 1.00 37.78 O +ATOM 1661 NE2 GLN A 410 9.017 -2.180 30.049 1.00 36.99 N +ATOM 1662 N ASP A 411 4.469 -3.240 31.063 1.00 37.38 N +ATOM 1663 CA ASP A 411 4.187 -4.657 30.849 1.00 39.90 C +ATOM 1664 C ASP A 411 2.987 -4.779 29.928 1.00 37.40 C +ATOM 1665 O ASP A 411 2.937 -5.646 29.057 1.00 36.99 O +ATOM 1666 CB ASP A 411 3.900 -5.357 32.185 1.00 46.87 C +ATOM 1667 CG ASP A 411 5.169 -5.717 32.933 1.00 53.80 C +ATOM 1668 OD1 ASP A 411 6.120 -4.898 32.925 1.00 56.51 O +ATOM 1669 OD2 ASP A 411 5.216 -6.816 33.532 1.00 59.06 O +ATOM 1670 N ASN A 412 2.021 -3.894 30.136 1.00 35.87 N +ATOM 1671 CA ASN A 412 0.809 -3.851 29.329 1.00 36.92 C +ATOM 1672 C ASN A 412 1.171 -3.448 27.888 1.00 33.85 C +ATOM 1673 O ASN A 412 0.660 -4.015 26.921 1.00 33.03 O +ATOM 1674 CB ASN A 412 -0.156 -2.834 29.942 1.00 41.50 C +ATOM 1675 CG ASN A 412 -1.567 -3.025 29.481 1.00 46.24 C +ATOM 1676 OD1 ASN A 412 -2.455 -2.240 29.822 1.00 50.51 O +ATOM 1677 ND2 ASN A 412 -1.797 -4.076 28.699 1.00 51.19 N +ATOM 1678 N LEU A 413 2.070 -2.477 27.757 1.00 31.39 N +ATOM 1679 CA LEU A 413 2.516 -2.004 26.449 1.00 29.35 C +ATOM 1680 C LEU A 413 3.378 -3.059 25.736 1.00 30.14 C +ATOM 1681 O LEU A 413 3.334 -3.182 24.499 1.00 28.14 O +ATOM 1682 CB LEU A 413 3.308 -0.704 26.610 1.00 28.10 C +ATOM 1683 CG LEU A 413 2.557 0.520 27.173 1.00 28.32 C +ATOM 1684 CD1 LEU A 413 3.544 1.633 27.460 1.00 26.26 C +ATOM 1685 CD2 LEU A 413 1.503 0.997 26.182 1.00 26.61 C +ATOM 1686 N LEU A 414 4.159 -3.822 26.504 1.00 26.24 N +ATOM 1687 CA LEU A 414 5.003 -4.854 25.903 1.00 26.14 C +ATOM 1688 C LEU A 414 4.122 -5.950 25.314 1.00 26.86 C +ATOM 1689 O LEU A 414 4.386 -6.437 24.220 1.00 27.87 O +ATOM 1690 CB LEU A 414 5.980 -5.414 26.941 1.00 24.16 C +ATOM 1691 CG LEU A 414 7.092 -4.409 27.286 1.00 25.07 C +ATOM 1692 CD1 LEU A 414 7.772 -4.804 28.574 1.00 25.73 C +ATOM 1693 CD2 LEU A 414 8.089 -4.320 26.132 1.00 24.66 C +ATOM 1694 N GLN A 415 3.060 -6.315 26.027 1.00 28.03 N +ATOM 1695 CA GLN A 415 2.123 -7.317 25.529 1.00 30.17 C +ATOM 1696 C GLN A 415 1.439 -6.822 24.244 1.00 29.29 C +ATOM 1697 O GLN A 415 1.340 -7.553 23.260 1.00 30.51 O +ATOM 1698 CB GLN A 415 1.045 -7.611 26.575 1.00 30.92 C +ATOM 1699 CG GLN A 415 1.466 -8.525 27.703 1.00 34.93 C +ATOM 1700 CD GLN A 415 0.348 -8.725 28.719 1.00 39.44 C +ATOM 1701 OE1 GLN A 415 0.219 -7.968 29.677 1.00 40.82 O +ATOM 1702 NE2 GLN A 415 -0.478 -9.741 28.496 1.00 42.97 N +ATOM 1703 N ALA A 416 0.957 -5.581 24.260 1.00 28.60 N +ATOM 1704 CA ALA A 416 0.281 -5.012 23.093 1.00 26.92 C +ATOM 1705 C ALA A 416 1.230 -4.975 21.898 1.00 25.56 C +ATOM 1706 O ALA A 416 0.839 -5.269 20.768 1.00 27.81 O +ATOM 1707 CB ALA A 416 -0.236 -3.587 23.417 1.00 25.58 C +ATOM 1708 N LEU A 417 2.483 -4.618 22.151 1.00 25.49 N +ATOM 1709 CA LEU A 417 3.487 -4.560 21.094 1.00 25.57 C +ATOM 1710 C LEU A 417 3.788 -5.950 20.555 1.00 26.18 C +ATOM 1711 O LEU A 417 3.894 -6.131 19.352 1.00 28.75 O +ATOM 1712 CB LEU A 417 4.791 -3.936 21.612 1.00 23.31 C +ATOM 1713 CG LEU A 417 5.946 -3.857 20.605 1.00 23.46 C +ATOM 1714 CD1 LEU A 417 5.497 -3.081 19.373 1.00 21.08 C +ATOM 1715 CD2 LEU A 417 7.174 -3.195 21.254 1.00 21.83 C +ATOM 1716 N GLU A 418 3.936 -6.923 21.448 1.00 29.48 N +ATOM 1717 CA GLU A 418 4.234 -8.298 21.045 1.00 32.71 C +ATOM 1718 C GLU A 418 3.122 -8.878 20.173 1.00 33.79 C +ATOM 1719 O GLU A 418 3.388 -9.479 19.135 1.00 33.84 O +ATOM 1720 CB GLU A 418 4.444 -9.192 22.276 1.00 34.48 C +ATOM 1721 CG GLU A 418 4.592 -10.677 21.921 1.00 36.08 C +ATOM 1722 CD GLU A 418 4.926 -11.546 23.112 1.00 35.43 C +ATOM 1723 OE1 GLU A 418 4.217 -11.474 24.139 1.00 40.47 O +ATOM 1724 OE2 GLU A 418 5.899 -12.307 23.015 1.00 39.09 O +ATOM 1725 N LEU A 419 1.878 -8.701 20.601 1.00 33.84 N +ATOM 1726 CA LEU A 419 0.738 -9.190 19.831 1.00 34.65 C +ATOM 1727 C LEU A 419 0.700 -8.499 18.467 1.00 34.96 C +ATOM 1728 O LEU A 419 0.598 -9.148 17.421 1.00 35.39 O +ATOM 1729 CB LEU A 419 -0.560 -8.909 20.588 1.00 35.60 C +ATOM 1730 CG LEU A 419 -1.847 -9.423 19.939 1.00 39.04 C +ATOM 1731 CD1 LEU A 419 -1.709 -10.912 19.620 1.00 39.56 C +ATOM 1732 CD2 LEU A 419 -3.023 -9.180 20.878 1.00 38.46 C +ATOM 1733 N GLN A 420 0.804 -7.173 18.485 1.00 34.75 N +ATOM 1734 CA GLN A 420 0.780 -6.364 17.267 1.00 30.93 C +ATOM 1735 C GLN A 420 1.802 -6.828 16.253 1.00 30.75 C +ATOM 1736 O GLN A 420 1.527 -6.867 15.057 1.00 31.35 O +ATOM 1737 CB GLN A 420 1.040 -4.897 17.630 1.00 31.99 C +ATOM 1738 CG GLN A 420 1.445 -3.999 16.477 1.00 27.56 C +ATOM 1739 CD GLN A 420 0.299 -3.679 15.542 1.00 28.36 C +ATOM 1740 OE1 GLN A 420 -0.864 -3.884 15.872 1.00 26.51 O +ATOM 1741 NE2 GLN A 420 0.626 -3.150 14.372 1.00 28.73 N +ATOM 1742 N LEU A 421 2.998 -7.174 16.711 1.00 31.81 N +ATOM 1743 CA LEU A 421 4.023 -7.620 15.767 1.00 32.19 C +ATOM 1744 C LEU A 421 3.709 -9.013 15.223 1.00 32.49 C +ATOM 1745 O LEU A 421 3.973 -9.309 14.060 1.00 33.32 O +ATOM 1746 CB LEU A 421 5.412 -7.587 16.428 1.00 30.69 C +ATOM 1747 CG LEU A 421 5.893 -6.181 16.851 1.00 30.39 C +ATOM 1748 CD1 LEU A 421 7.186 -6.280 17.660 1.00 27.69 C +ATOM 1749 CD2 LEU A 421 6.121 -5.313 15.609 1.00 29.14 C +ATOM 1750 N LYS A 422 3.129 -9.864 16.055 1.00 35.41 N +ATOM 1751 CA LYS A 422 2.785 -11.212 15.615 1.00 40.02 C +ATOM 1752 C LYS A 422 1.710 -11.122 14.542 1.00 39.47 C +ATOM 1753 O LYS A 422 1.761 -11.822 13.535 1.00 39.74 O +ATOM 1754 CB LYS A 422 2.266 -12.046 16.793 1.00 43.45 C +ATOM 1755 CG LYS A 422 1.838 -13.460 16.409 1.00 51.35 C +ATOM 1756 CD LYS A 422 1.401 -14.286 17.624 1.00 54.25 C +ATOM 1757 CE LYS A 422 1.037 -15.717 17.219 1.00 56.69 C +ATOM 1758 NZ LYS A 422 0.617 -16.564 18.381 1.00 56.62 N +ATOM 1759 N LEU A 423 0.738 -10.242 14.761 1.00 38.51 N +ATOM 1760 CA LEU A 423 -0.351 -10.071 13.812 1.00 36.12 C +ATOM 1761 C LEU A 423 0.059 -9.332 12.557 1.00 36.25 C +ATOM 1762 O LEU A 423 -0.330 -9.716 11.462 1.00 34.38 O +ATOM 1763 CB LEU A 423 -1.514 -9.327 14.478 1.00 36.04 C +ATOM 1764 CG LEU A 423 -2.210 -10.086 15.612 1.00 36.62 C +ATOM 1765 CD1 LEU A 423 -3.201 -9.180 16.322 1.00 36.13 C +ATOM 1766 CD2 LEU A 423 -2.903 -11.316 15.037 1.00 37.49 C +ATOM 1767 N ASN A 424 0.856 -8.276 12.715 1.00 37.89 N +ATOM 1768 CA ASN A 424 1.269 -7.458 11.577 1.00 37.55 C +ATOM 1769 C ASN A 424 2.473 -7.999 10.809 1.00 38.74 C +ATOM 1770 O ASN A 424 2.664 -7.660 9.648 1.00 39.05 O +ATOM 1771 CB ASN A 424 1.516 -6.015 12.047 1.00 38.71 C +ATOM 1772 CG ASN A 424 1.516 -5.007 10.901 1.00 39.56 C +ATOM 1773 OD1 ASN A 424 0.743 -5.130 9.946 1.00 37.21 O +ATOM 1774 ND2 ASN A 424 2.374 -3.992 11.003 1.00 38.04 N +ATOM 1775 N HIS A 425 3.282 -8.840 11.444 1.00 40.40 N +ATOM 1776 CA HIS A 425 4.449 -9.426 10.774 1.00 40.97 C +ATOM 1777 C HIS A 425 4.494 -10.932 11.062 1.00 42.58 C +ATOM 1778 O HIS A 425 5.426 -11.429 11.695 1.00 40.36 O +ATOM 1779 CB HIS A 425 5.747 -8.774 11.265 1.00 40.03 C +ATOM 1780 CG HIS A 425 5.856 -7.321 10.937 1.00 39.03 C +ATOM 1781 ND1 HIS A 425 5.195 -6.344 11.649 1.00 40.85 N +ATOM 1782 CD2 HIS A 425 6.537 -6.679 9.960 1.00 39.65 C +ATOM 1783 CE1 HIS A 425 5.463 -5.162 11.125 1.00 39.83 C +ATOM 1784 NE2 HIS A 425 6.274 -5.338 10.098 1.00 42.05 N +ATOM 1785 N PRO A 426 3.490 -11.675 10.572 1.00 44.20 N +ATOM 1786 CA PRO A 426 3.362 -13.122 10.758 1.00 46.03 C +ATOM 1787 C PRO A 426 4.606 -13.904 10.365 1.00 46.82 C +ATOM 1788 O PRO A 426 4.969 -14.877 11.020 1.00 49.81 O +ATOM 1789 CB PRO A 426 2.170 -13.483 9.872 1.00 46.76 C +ATOM 1790 CG PRO A 426 1.394 -12.201 9.772 1.00 47.76 C +ATOM 1791 CD PRO A 426 2.485 -11.188 9.613 1.00 46.27 C +ATOM 1792 N GLU A 427 5.257 -13.463 9.298 1.00 47.37 N +ATOM 1793 CA GLU A 427 6.445 -14.124 8.775 1.00 48.77 C +ATOM 1794 C GLU A 427 7.761 -13.590 9.333 1.00 48.47 C +ATOM 1795 O GLU A 427 8.826 -13.900 8.803 1.00 49.81 O +ATOM 1796 CB GLU A 427 6.459 -13.987 7.252 1.00 49.64 C +ATOM 1797 CG GLU A 427 7.023 -12.656 6.741 1.00 53.80 C +ATOM 1798 CD GLU A 427 6.532 -11.430 7.519 1.00 54.70 C +ATOM 1799 OE1 GLU A 427 5.308 -11.243 7.660 1.00 53.50 O +ATOM 1800 OE2 GLU A 427 7.385 -10.640 7.981 1.00 57.76 O +ATOM 1801 N SER A 428 7.700 -12.788 10.389 1.00 47.30 N +ATOM 1802 CA SER A 428 8.914 -12.218 10.958 1.00 46.61 C +ATOM 1803 C SER A 428 9.260 -12.862 12.294 1.00 45.76 C +ATOM 1804 O SER A 428 8.646 -12.566 13.326 1.00 45.36 O +ATOM 1805 CB SER A 428 8.747 -10.711 11.125 1.00 47.46 C +ATOM 1806 OG SER A 428 9.906 -10.138 11.698 1.00 54.42 O +ATOM 1807 N SER A 429 10.258 -13.738 12.269 1.00 43.73 N +ATOM 1808 CA SER A 429 10.677 -14.454 13.469 1.00 43.66 C +ATOM 1809 C SER A 429 11.379 -13.589 14.509 1.00 40.70 C +ATOM 1810 O SER A 429 12.380 -12.937 14.216 1.00 39.40 O +ATOM 1811 CB SER A 429 11.593 -15.626 13.094 1.00 43.52 C +ATOM 1812 OG SER A 429 12.058 -16.282 14.264 1.00 45.69 O +ATOM 1813 N GLN A 430 10.844 -13.602 15.724 1.00 39.89 N +ATOM 1814 CA GLN A 430 11.409 -12.849 16.839 1.00 39.77 C +ATOM 1815 C GLN A 430 11.555 -11.349 16.567 1.00 39.57 C +ATOM 1816 O GLN A 430 12.472 -10.700 17.093 1.00 38.88 O +ATOM 1817 CB GLN A 430 12.775 -13.435 17.214 1.00 41.35 C +ATOM 1818 CG GLN A 430 12.843 -14.008 18.625 1.00 45.68 C +ATOM 1819 CD GLN A 430 11.942 -15.193 18.799 1.00 46.89 C +ATOM 1820 OE1 GLN A 430 11.902 -16.071 17.943 1.00 52.56 O +ATOM 1821 NE2 GLN A 430 11.216 -15.239 19.911 1.00 47.13 N +ATOM 1822 N LEU A 431 10.658 -10.797 15.753 1.00 35.42 N +ATOM 1823 CA LEU A 431 10.710 -9.375 15.446 1.00 35.16 C +ATOM 1824 C LEU A 431 10.688 -8.601 16.761 1.00 32.53 C +ATOM 1825 O LEU A 431 11.427 -7.635 16.941 1.00 32.27 O +ATOM 1826 CB LEU A 431 9.523 -8.969 14.561 1.00 35.11 C +ATOM 1827 CG LEU A 431 9.449 -7.504 14.116 1.00 36.40 C +ATOM 1828 CD1 LEU A 431 10.755 -7.080 13.440 1.00 35.96 C +ATOM 1829 CD2 LEU A 431 8.277 -7.334 13.167 1.00 34.38 C +ATOM 1830 N PHE A 432 9.844 -9.051 17.679 1.00 29.67 N +ATOM 1831 CA PHE A 432 9.725 -8.437 18.990 1.00 30.30 C +ATOM 1832 C PHE A 432 11.117 -8.337 19.648 1.00 32.83 C +ATOM 1833 O PHE A 432 11.562 -7.252 20.036 1.00 31.94 O +ATOM 1834 CB PHE A 432 8.772 -9.281 19.843 1.00 27.81 C +ATOM 1835 CG PHE A 432 8.449 -8.682 21.180 1.00 30.46 C +ATOM 1836 CD1 PHE A 432 8.067 -7.347 21.291 1.00 32.51 C +ATOM 1837 CD2 PHE A 432 8.489 -9.462 22.331 1.00 29.70 C +ATOM 1838 CE1 PHE A 432 7.727 -6.798 22.535 1.00 30.96 C +ATOM 1839 CE2 PHE A 432 8.151 -8.926 23.571 1.00 29.13 C +ATOM 1840 CZ PHE A 432 7.771 -7.591 23.675 1.00 28.31 C +ATOM 1841 N ALA A 433 11.811 -9.466 19.761 1.00 32.37 N +ATOM 1842 CA ALA A 433 13.143 -9.472 20.362 1.00 32.52 C +ATOM 1843 C ALA A 433 14.103 -8.536 19.617 1.00 32.38 C +ATOM 1844 O ALA A 433 14.850 -7.777 20.243 1.00 33.19 O +ATOM 1845 CB ALA A 433 13.715 -10.898 20.372 1.00 31.02 C +ATOM 1846 N LYS A 434 14.086 -8.594 18.286 1.00 31.26 N +ATOM 1847 CA LYS A 434 14.974 -7.755 17.483 1.00 31.47 C +ATOM 1848 C LYS A 434 14.692 -6.254 17.642 1.00 30.32 C +ATOM 1849 O LYS A 434 15.626 -5.449 17.605 1.00 27.64 O +ATOM 1850 CB LYS A 434 14.889 -8.147 16.007 1.00 36.81 C +ATOM 1851 CG LYS A 434 15.349 -9.576 15.687 1.00 42.27 C +ATOM 1852 CD LYS A 434 16.843 -9.785 15.944 1.00 48.23 C +ATOM 1853 CE LYS A 434 17.256 -11.235 15.629 1.00 54.30 C +ATOM 1854 NZ LYS A 434 18.716 -11.537 15.821 1.00 51.43 N +ATOM 1855 N LEU A 435 13.423 -5.875 17.821 1.00 27.47 N +ATOM 1856 CA LEU A 435 13.085 -4.456 18.000 1.00 28.77 C +ATOM 1857 C LEU A 435 13.571 -3.978 19.385 1.00 29.90 C +ATOM 1858 O LEU A 435 14.172 -2.907 19.506 1.00 29.84 O +ATOM 1859 CB LEU A 435 11.572 -4.224 17.853 1.00 24.36 C +ATOM 1860 CG LEU A 435 11.053 -2.806 18.175 1.00 27.59 C +ATOM 1861 CD1 LEU A 435 11.787 -1.762 17.347 1.00 22.37 C +ATOM 1862 CD2 LEU A 435 9.546 -2.733 17.914 1.00 25.91 C +ATOM 1863 N LEU A 436 13.328 -4.781 20.419 1.00 29.96 N +ATOM 1864 CA LEU A 436 13.770 -4.450 21.775 1.00 29.77 C +ATOM 1865 C LEU A 436 15.299 -4.283 21.866 1.00 31.70 C +ATOM 1866 O LEU A 436 15.789 -3.411 22.598 1.00 31.24 O +ATOM 1867 CB LEU A 436 13.317 -5.533 22.757 1.00 29.86 C +ATOM 1868 CG LEU A 436 11.810 -5.726 22.938 1.00 31.44 C +ATOM 1869 CD1 LEU A 436 11.562 -6.893 23.879 1.00 31.06 C +ATOM 1870 CD2 LEU A 436 11.180 -4.452 23.477 1.00 30.87 C +ATOM 1871 N GLN A 437 16.052 -5.113 21.137 1.00 30.78 N +ATOM 1872 CA GLN A 437 17.514 -5.008 21.147 1.00 31.79 C +ATOM 1873 C GLN A 437 17.937 -3.668 20.560 1.00 32.25 C +ATOM 1874 O GLN A 437 18.958 -3.104 20.944 1.00 31.83 O +ATOM 1875 CB GLN A 437 18.167 -6.136 20.336 1.00 31.60 C +ATOM 1876 CG GLN A 437 17.826 -7.539 20.830 1.00 38.17 C +ATOM 1877 CD GLN A 437 18.650 -8.629 20.153 1.00 40.65 C +ATOM 1878 OE1 GLN A 437 19.816 -8.826 20.475 1.00 45.36 O +ATOM 1879 NE2 GLN A 437 18.046 -9.334 19.210 1.00 40.92 N +ATOM 1880 N LYS A 438 17.148 -3.159 19.618 1.00 32.73 N +ATOM 1881 CA LYS A 438 17.451 -1.875 19.008 1.00 33.60 C +ATOM 1882 C LYS A 438 17.486 -0.783 20.076 1.00 33.41 C +ATOM 1883 O LYS A 438 18.127 0.253 19.896 1.00 33.34 O +ATOM 1884 CB LYS A 438 16.413 -1.541 17.932 1.00 34.31 C +ATOM 1885 CG LYS A 438 16.564 -2.375 16.684 1.00 32.38 C +ATOM 1886 CD LYS A 438 17.898 -2.089 16.026 1.00 37.51 C +ATOM 1887 CE LYS A 438 18.153 -3.020 14.839 1.00 40.74 C +ATOM 1888 NZ LYS A 438 18.273 -4.448 15.276 1.00 43.67 N +ATOM 1889 N MET A 439 16.809 -1.018 21.193 1.00 33.97 N +ATOM 1890 CA MET A 439 16.794 -0.030 22.261 1.00 36.35 C +ATOM 1891 C MET A 439 18.214 0.272 22.741 1.00 38.73 C +ATOM 1892 O MET A 439 18.467 1.326 23.322 1.00 37.63 O +ATOM 1893 CB MET A 439 15.932 -0.513 23.423 1.00 36.68 C +ATOM 1894 CG MET A 439 14.456 -0.640 23.055 1.00 37.27 C +ATOM 1895 SD MET A 439 13.402 -1.133 24.433 1.00 41.92 S +ATOM 1896 CE MET A 439 13.072 0.474 25.219 1.00 40.34 C +ATOM 1897 N THR A 440 19.141 -0.649 22.479 1.00 38.26 N +ATOM 1898 CA THR A 440 20.527 -0.468 22.879 1.00 38.80 C +ATOM 1899 C THR A 440 21.206 0.542 21.961 1.00 38.89 C +ATOM 1900 O THR A 440 21.969 1.395 22.413 1.00 39.10 O +ATOM 1901 CB THR A 440 21.318 -1.796 22.809 1.00 40.34 C +ATOM 1902 OG1 THR A 440 20.731 -2.760 23.700 1.00 41.44 O +ATOM 1903 CG2 THR A 440 22.767 -1.561 23.194 1.00 39.31 C +ATOM 1904 N ASP A 441 20.935 0.436 20.665 1.00 37.03 N +ATOM 1905 CA ASP A 441 21.527 1.350 19.703 1.00 37.31 C +ATOM 1906 C ASP A 441 21.038 2.769 19.995 1.00 36.65 C +ATOM 1907 O ASP A 441 21.778 3.735 19.819 1.00 35.97 O +ATOM 1908 CB ASP A 441 21.149 0.923 18.285 1.00 38.06 C +ATOM 1909 CG ASP A 441 21.547 -0.510 17.989 1.00 41.94 C +ATOM 1910 OD1 ASP A 441 22.670 -0.734 17.497 1.00 46.74 O +ATOM 1911 OD2 ASP A 441 20.742 -1.424 18.271 1.00 43.59 O +ATOM 1912 N LEU A 442 19.797 2.893 20.457 1.00 35.13 N +ATOM 1913 CA LEU A 442 19.247 4.204 20.764 1.00 37.38 C +ATOM 1914 C LEU A 442 20.017 4.893 21.888 1.00 37.24 C +ATOM 1915 O LEU A 442 20.415 6.049 21.741 1.00 36.32 O +ATOM 1916 CB LEU A 442 17.765 4.092 21.137 1.00 36.19 C +ATOM 1917 CG LEU A 442 16.836 3.755 19.969 1.00 35.82 C +ATOM 1918 CD1 LEU A 442 15.453 3.425 20.483 1.00 35.87 C +ATOM 1919 CD2 LEU A 442 16.787 4.925 19.014 1.00 35.07 C +ATOM 1920 N ARG A 443 20.218 4.196 23.005 1.00 38.17 N +ATOM 1921 CA ARG A 443 20.962 4.771 24.131 1.00 39.38 C +ATOM 1922 C ARG A 443 22.344 5.253 23.686 1.00 38.30 C +ATOM 1923 O ARG A 443 22.775 6.337 24.072 1.00 37.36 O +ATOM 1924 CB ARG A 443 21.130 3.749 25.268 1.00 39.28 C +ATOM 1925 CG ARG A 443 20.095 3.848 26.395 1.00 44.04 C +ATOM 1926 CD ARG A 443 20.213 5.130 27.225 1.00 43.28 C +ATOM 1927 NE ARG A 443 19.274 5.124 28.353 1.00 47.50 N +ATOM 1928 CZ ARG A 443 19.183 6.076 29.293 1.00 47.00 C +ATOM 1929 NH1 ARG A 443 19.978 7.144 29.254 1.00 42.48 N +ATOM 1930 NH2 ARG A 443 18.301 5.950 30.292 1.00 41.46 N +ATOM 1931 N GLN A 444 23.029 4.448 22.876 1.00 37.58 N +ATOM 1932 CA GLN A 444 24.364 4.808 22.397 1.00 40.07 C +ATOM 1933 C GLN A 444 24.321 6.087 21.560 1.00 39.55 C +ATOM 1934 O GLN A 444 25.213 6.926 21.656 1.00 39.37 O +ATOM 1935 CB GLN A 444 24.970 3.675 21.555 1.00 42.98 C +ATOM 1936 CG GLN A 444 24.798 2.269 22.126 1.00 48.33 C +ATOM 1937 CD GLN A 444 25.345 2.114 23.534 1.00 52.44 C +ATOM 1938 OE1 GLN A 444 26.505 2.444 23.813 1.00 55.41 O +ATOM 1939 NE2 GLN A 444 24.510 1.598 24.434 1.00 54.85 N +ATOM 1940 N ILE A 445 23.293 6.228 20.726 1.00 38.55 N +ATOM 1941 CA ILE A 445 23.161 7.421 19.902 1.00 38.06 C +ATOM 1942 C ILE A 445 23.040 8.628 20.830 1.00 37.47 C +ATOM 1943 O ILE A 445 23.729 9.637 20.650 1.00 35.03 O +ATOM 1944 CB ILE A 445 21.902 7.361 19.003 1.00 38.86 C +ATOM 1945 CG1 ILE A 445 22.029 6.216 18.001 1.00 38.72 C +ATOM 1946 CG2 ILE A 445 21.725 8.679 18.248 1.00 37.97 C +ATOM 1947 CD1 ILE A 445 23.177 6.373 17.040 1.00 40.36 C +ATOM 1948 N VAL A 446 22.174 8.508 21.832 1.00 35.78 N +ATOM 1949 CA VAL A 446 21.955 9.588 22.789 1.00 38.27 C +ATOM 1950 C VAL A 446 23.238 9.975 23.514 1.00 40.86 C +ATOM 1951 O VAL A 446 23.660 11.134 23.488 1.00 40.44 O +ATOM 1952 CB VAL A 446 20.905 9.200 23.842 1.00 35.11 C +ATOM 1953 CG1 VAL A 446 20.743 10.316 24.862 1.00 36.58 C +ATOM 1954 CG2 VAL A 446 19.589 8.922 23.172 1.00 36.59 C +ATOM 1955 N THR A 447 23.853 8.994 24.160 1.00 43.02 N +ATOM 1956 CA THR A 447 25.084 9.215 24.905 1.00 45.87 C +ATOM 1957 C THR A 447 26.175 9.828 24.034 1.00 47.08 C +ATOM 1958 O THR A 447 26.960 10.654 24.494 1.00 49.36 O +ATOM 1959 CB THR A 447 25.601 7.887 25.508 1.00 45.56 C +ATOM 1960 OG1 THR A 447 24.696 7.450 26.529 1.00 46.27 O +ATOM 1961 CG2 THR A 447 26.985 8.072 26.107 1.00 49.01 C +ATOM 1962 N GLU A 448 26.216 9.423 22.773 1.00 46.77 N +ATOM 1963 CA GLU A 448 27.216 9.927 21.842 1.00 47.05 C +ATOM 1964 C GLU A 448 26.887 11.357 21.408 1.00 45.59 C +ATOM 1965 O GLU A 448 27.775 12.205 21.278 1.00 44.89 O +ATOM 1966 CB GLU A 448 27.269 9.008 20.632 1.00 48.98 C +ATOM 1967 CG GLU A 448 28.453 9.205 19.736 1.00 54.89 C +ATOM 1968 CD GLU A 448 28.489 8.165 18.637 1.00 57.66 C +ATOM 1969 OE1 GLU A 448 27.657 8.254 17.705 1.00 58.01 O +ATOM 1970 OE2 GLU A 448 29.336 7.250 18.720 1.00 59.57 O +ATOM 1971 N HIS A 449 25.603 11.610 21.180 1.00 43.31 N +ATOM 1972 CA HIS A 449 25.135 12.925 20.771 1.00 42.43 C +ATOM 1973 C HIS A 449 25.478 13.918 21.882 1.00 42.25 C +ATOM 1974 O HIS A 449 25.923 15.039 21.630 1.00 40.66 O +ATOM 1975 CB HIS A 449 23.618 12.903 20.555 1.00 42.24 C +ATOM 1976 CG HIS A 449 23.061 14.206 20.073 1.00 41.05 C +ATOM 1977 ND1 HIS A 449 23.143 14.603 18.757 1.00 42.25 N +ATOM 1978 CD2 HIS A 449 22.467 15.225 20.738 1.00 41.12 C +ATOM 1979 CE1 HIS A 449 22.626 15.812 18.632 1.00 42.56 C +ATOM 1980 NE2 HIS A 449 22.207 16.213 19.820 1.00 41.08 N +ATOM 1981 N VAL A 450 25.264 13.480 23.116 1.00 42.66 N +ATOM 1982 CA VAL A 450 25.554 14.287 24.285 1.00 43.63 C +ATOM 1983 C VAL A 450 27.028 14.691 24.350 1.00 44.04 C +ATOM 1984 O VAL A 450 27.349 15.837 24.657 1.00 43.93 O +ATOM 1985 CB VAL A 450 25.165 13.520 25.572 1.00 43.20 C +ATOM 1986 CG1 VAL A 450 26.036 13.956 26.752 1.00 43.30 C +ATOM 1987 CG2 VAL A 450 23.708 13.778 25.881 1.00 42.49 C +ATOM 1988 N GLN A 451 27.925 13.758 24.060 1.00 44.62 N +ATOM 1989 CA GLN A 451 29.340 14.078 24.121 1.00 46.71 C +ATOM 1990 C GLN A 451 29.751 15.045 23.005 1.00 45.56 C +ATOM 1991 O GLN A 451 30.662 15.853 23.182 1.00 45.84 O +ATOM 1992 CB GLN A 451 30.177 12.797 24.063 1.00 48.73 C +ATOM 1993 CG GLN A 451 30.264 12.161 22.692 1.00 54.24 C +ATOM 1994 CD GLN A 451 30.847 10.761 22.739 1.00 57.00 C +ATOM 1995 OE1 GLN A 451 31.078 10.140 21.700 1.00 58.61 O +ATOM 1996 NE2 GLN A 451 31.082 10.253 23.948 1.00 57.73 N +ATOM 1997 N LEU A 452 29.072 14.977 21.864 1.00 43.54 N +ATOM 1998 CA LEU A 452 29.397 15.864 20.758 1.00 43.59 C +ATOM 1999 C LEU A 452 28.902 17.274 21.058 1.00 43.27 C +ATOM 2000 O LEU A 452 29.529 18.266 20.675 1.00 42.35 O +ATOM 2001 CB LEU A 452 28.771 15.359 19.456 1.00 45.75 C +ATOM 2002 CG LEU A 452 29.306 16.030 18.190 1.00 47.12 C +ATOM 2003 CD1 LEU A 452 30.829 15.976 18.191 1.00 48.13 C +ATOM 2004 CD2 LEU A 452 28.752 15.325 16.960 1.00 49.60 C +ATOM 2005 N LEU A 453 27.772 17.350 21.752 1.00 42.41 N +ATOM 2006 CA LEU A 453 27.181 18.622 22.135 1.00 43.58 C +ATOM 2007 C LEU A 453 28.125 19.388 23.073 1.00 44.16 C +ATOM 2008 O LEU A 453 28.296 20.597 22.942 1.00 44.53 O +ATOM 2009 CB LEU A 453 25.842 18.370 22.828 1.00 43.38 C +ATOM 2010 CG LEU A 453 24.596 19.037 22.247 1.00 46.19 C +ATOM 2011 CD1 LEU A 453 24.554 18.887 20.735 1.00 45.71 C +ATOM 2012 CD2 LEU A 453 23.373 18.408 22.876 1.00 45.45 C +ATOM 2013 N AGLN A 454 28.732 18.682 24.022 0.50 43.92 N +ATOM 2014 N BGLN A 454 28.732 18.675 24.016 0.50 44.14 N +ATOM 2015 CA AGLN A 454 29.652 19.323 24.958 0.50 44.26 C +ATOM 2016 CA BGLN A 454 29.659 19.293 24.959 0.50 44.67 C +ATOM 2017 C AGLN A 454 30.886 19.873 24.242 0.50 43.99 C +ATOM 2018 C BGLN A 454 30.877 19.872 24.240 0.50 44.25 C +ATOM 2019 O AGLN A 454 31.492 20.841 24.703 0.50 44.46 O +ATOM 2020 O BGLN A 454 31.463 20.855 24.695 0.50 44.70 O +ATOM 2021 CB AGLN A 454 30.065 18.336 26.056 0.50 43.90 C +ATOM 2022 CB BGLN A 454 30.118 18.268 26.001 0.50 44.74 C +ATOM 2023 CG AGLN A 454 28.910 17.951 26.974 0.50 44.34 C +ATOM 2024 CG BGLN A 454 29.013 17.788 26.930 0.50 45.77 C +ATOM 2025 CD AGLN A 454 28.394 19.126 27.788 0.50 44.49 C +ATOM 2026 CD BGLN A 454 29.489 16.717 27.892 0.50 46.91 C +ATOM 2027 OE1AGLN A 454 27.239 19.143 28.212 0.50 45.81 O +ATOM 2028 OE1BGLN A 454 30.689 16.463 28.014 0.50 47.71 O +ATOM 2029 NE2AGLN A 454 29.255 20.109 28.023 0.50 45.72 N +ATOM 2030 NE2BGLN A 454 28.551 16.088 28.588 0.50 46.43 N +ATOM 2031 N VAL A 455 31.258 19.256 23.122 1.00 43.27 N +ATOM 2032 CA VAL A 455 32.408 19.720 22.345 1.00 43.15 C +ATOM 2033 C VAL A 455 32.028 21.023 21.648 1.00 44.00 C +ATOM 2034 O VAL A 455 32.760 22.006 21.712 1.00 42.44 O +ATOM 2035 CB VAL A 455 32.849 18.675 21.274 1.00 43.20 C +ATOM 2036 CG1 VAL A 455 33.776 19.316 20.253 1.00 42.51 C +ATOM 2037 CG2 VAL A 455 33.583 17.521 21.945 1.00 43.88 C +ATOM 2038 N ILE A 456 30.868 21.018 20.998 1.00 46.66 N +ATOM 2039 CA ILE A 456 30.350 22.182 20.276 1.00 48.77 C +ATOM 2040 C ILE A 456 30.188 23.379 21.204 1.00 49.21 C +ATOM 2041 O ILE A 456 30.580 24.498 20.875 1.00 50.53 O +ATOM 2042 CB ILE A 456 28.977 21.860 19.644 1.00 50.07 C +ATOM 2043 CG1 ILE A 456 29.094 20.590 18.803 1.00 48.71 C +ATOM 2044 CG2 ILE A 456 28.505 23.019 18.778 1.00 50.48 C +ATOM 2045 CD1 ILE A 456 30.226 20.637 17.815 1.00 47.58 C +ATOM 2046 N LYS A 457 29.593 23.131 22.361 1.00 49.35 N +ATOM 2047 CA LYS A 457 29.374 24.161 23.371 1.00 50.31 C +ATOM 2048 C LYS A 457 30.673 24.938 23.647 1.00 49.66 C +ATOM 2049 O LYS A 457 30.669 26.162 23.761 1.00 48.75 O +ATOM 2050 CB LYS A 457 28.873 23.481 24.650 1.00 52.42 C +ATOM 2051 CG LYS A 457 28.871 24.324 25.916 1.00 58.15 C +ATOM 2052 CD LYS A 457 27.696 25.285 25.982 1.00 60.22 C +ATOM 2053 CE LYS A 457 27.516 25.806 27.402 1.00 62.33 C +ATOM 2054 NZ LYS A 457 28.776 26.406 27.942 1.00 64.31 N +ATOM 2055 N LYS A 458 31.786 24.214 23.725 1.00 48.60 N +ATOM 2056 CA LYS A 458 33.078 24.821 24.010 1.00 47.01 C +ATOM 2057 C LYS A 458 33.819 25.464 22.841 1.00 46.45 C +ATOM 2058 O LYS A 458 34.492 26.481 23.030 1.00 46.90 O +ATOM 2059 CB LYS A 458 33.982 23.798 24.693 1.00 46.85 C +ATOM 2060 CG LYS A 458 33.546 23.462 26.103 1.00 46.06 C +ATOM 2061 CD LYS A 458 34.397 22.352 26.670 1.00 49.13 C +ATOM 2062 CE LYS A 458 34.032 22.039 28.111 1.00 51.41 C +ATOM 2063 NZ LYS A 458 34.297 23.192 29.019 1.00 51.53 N +ATOM 2064 N THR A 459 33.704 24.901 21.641 1.00 45.13 N +ATOM 2065 CA THR A 459 34.400 25.489 20.497 1.00 46.53 C +ATOM 2066 C THR A 459 33.558 26.551 19.794 1.00 47.28 C +ATOM 2067 O THR A 459 33.998 27.176 18.833 1.00 49.21 O +ATOM 2068 CB THR A 459 34.798 24.418 19.459 1.00 46.41 C +ATOM 2069 OG1 THR A 459 33.628 23.935 18.787 1.00 44.06 O +ATOM 2070 CG2 THR A 459 35.507 23.261 20.146 1.00 45.72 C +ATOM 2071 N GLU A 460 32.341 26.747 20.275 1.00 48.19 N +ATOM 2072 CA GLU A 460 31.435 27.726 19.696 1.00 49.20 C +ATOM 2073 C GLU A 460 30.767 28.503 20.834 1.00 49.72 C +ATOM 2074 O GLU A 460 29.621 28.223 21.196 1.00 48.37 O +ATOM 2075 CB GLU A 460 30.377 27.006 18.855 1.00 51.34 C +ATOM 2076 CG GLU A 460 30.426 27.285 17.355 1.00 55.21 C +ATOM 2077 CD GLU A 460 31.774 26.986 16.730 1.00 56.59 C +ATOM 2078 OE1 GLU A 460 32.252 25.834 16.841 1.00 55.87 O +ATOM 2079 OE2 GLU A 460 32.356 27.911 16.121 1.00 58.54 O +ATOM 2080 N THR A 461 31.489 29.476 21.395 1.00 49.14 N +ATOM 2081 CA THR A 461 30.970 30.284 22.500 1.00 50.55 C +ATOM 2082 C THR A 461 29.682 31.023 22.135 1.00 50.41 C +ATOM 2083 O THR A 461 28.922 31.435 23.007 1.00 50.73 O +ATOM 2084 CB THR A 461 32.001 31.332 22.969 1.00 50.75 C +ATOM 2085 OG1 THR A 461 32.332 32.195 21.877 1.00 50.15 O +ATOM 2086 CG2 THR A 461 33.264 30.661 23.470 1.00 51.39 C +ATOM 2087 N ASP A 462 29.439 31.182 20.843 1.00 51.39 N +ATOM 2088 CA ASP A 462 28.248 31.878 20.379 1.00 54.35 C +ATOM 2089 C ASP A 462 27.147 30.911 19.973 1.00 55.15 C +ATOM 2090 O ASP A 462 26.166 31.310 19.356 1.00 54.79 O +ATOM 2091 CB ASP A 462 28.614 32.767 19.197 1.00 55.23 C +ATOM 2092 CG ASP A 462 29.224 31.984 18.061 1.00 58.18 C +ATOM 2093 OD1 ASP A 462 30.088 31.116 18.329 1.00 58.41 O +ATOM 2094 OD2 ASP A 462 28.844 32.239 16.899 1.00 60.27 O +ATOM 2095 N MET A 463 27.315 29.639 20.321 1.00 58.04 N +ATOM 2096 CA MET A 463 26.337 28.608 19.985 1.00 59.16 C +ATOM 2097 C MET A 463 25.254 28.533 21.048 1.00 59.16 C +ATOM 2098 O MET A 463 25.505 28.116 22.181 1.00 57.76 O +ATOM 2099 CB MET A 463 27.030 27.249 19.855 1.00 62.01 C +ATOM 2100 CG MET A 463 27.100 26.696 18.431 1.00 65.36 C +ATOM 2101 SD MET A 463 25.657 25.701 17.987 1.00 67.59 S +ATOM 2102 CE MET A 463 24.514 26.995 17.460 1.00 68.16 C +ATOM 2103 N SER A 464 24.047 28.938 20.676 1.00 59.24 N +ATOM 2104 CA SER A 464 22.925 28.920 21.604 1.00 60.51 C +ATOM 2105 C SER A 464 22.138 27.612 21.546 1.00 60.63 C +ATOM 2106 O SER A 464 22.054 26.964 20.505 1.00 61.91 O +ATOM 2107 CB SER A 464 21.990 30.100 21.321 1.00 58.38 C +ATOM 2108 OG SER A 464 21.674 30.172 19.946 1.00 59.49 O +ATOM 2109 N LEU A 465 21.571 27.229 22.682 1.00 60.54 N +ATOM 2110 CA LEU A 465 20.775 26.018 22.770 1.00 60.17 C +ATOM 2111 C LEU A 465 19.493 26.370 23.510 1.00 59.74 C +ATOM 2112 O LEU A 465 19.518 27.139 24.472 1.00 62.57 O +ATOM 2113 CB LEU A 465 21.534 24.926 23.522 1.00 60.33 C +ATOM 2114 CG LEU A 465 21.012 23.513 23.237 1.00 62.11 C +ATOM 2115 CD1 LEU A 465 22.112 22.687 22.593 1.00 62.46 C +ATOM 2116 CD2 LEU A 465 20.534 22.858 24.511 1.00 62.27 C +ATOM 2117 N HIS A 466 18.374 25.820 23.056 1.00 57.14 N +ATOM 2118 CA HIS A 466 17.090 26.096 23.682 1.00 55.59 C +ATOM 2119 C HIS A 466 17.053 25.593 25.126 1.00 54.79 C +ATOM 2120 O HIS A 466 17.561 24.511 25.431 1.00 54.93 O +ATOM 2121 CB HIS A 466 15.961 25.447 22.874 1.00 54.92 C +ATOM 2122 CG HIS A 466 14.602 25.964 23.223 1.00 53.72 C +ATOM 2123 ND1 HIS A 466 14.029 25.772 24.461 1.00 54.54 N +ATOM 2124 CD2 HIS A 466 13.720 26.703 22.511 1.00 54.17 C +ATOM 2125 CE1 HIS A 466 12.853 26.372 24.498 1.00 53.84 C +ATOM 2126 NE2 HIS A 466 12.642 26.945 23.327 1.00 55.07 N +ATOM 2127 N PRO A 467 16.455 26.381 26.034 1.00 53.20 N +ATOM 2128 CA PRO A 467 16.341 26.031 27.454 1.00 51.57 C +ATOM 2129 C PRO A 467 15.731 24.645 27.680 1.00 49.61 C +ATOM 2130 O PRO A 467 16.142 23.915 28.582 1.00 48.44 O +ATOM 2131 CB PRO A 467 15.459 27.145 28.009 1.00 52.38 C +ATOM 2132 CG PRO A 467 15.835 28.318 27.156 1.00 52.32 C +ATOM 2133 CD PRO A 467 15.882 27.716 25.778 1.00 52.84 C +ATOM 2134 N LEU A 468 14.750 24.290 26.856 1.00 48.04 N +ATOM 2135 CA LEU A 468 14.080 22.995 26.960 1.00 46.58 C +ATOM 2136 C LEU A 468 15.050 21.827 26.773 1.00 46.11 C +ATOM 2137 O LEU A 468 15.083 20.901 27.580 1.00 45.87 O +ATOM 2138 CB LEU A 468 12.965 22.893 25.921 1.00 45.01 C +ATOM 2139 CG LEU A 468 12.114 21.624 26.014 1.00 45.87 C +ATOM 2140 CD1 LEU A 468 11.401 21.576 27.367 1.00 44.64 C +ATOM 2141 CD2 LEU A 468 11.103 21.605 24.879 1.00 44.44 C +ATOM 2142 N LEU A 469 15.834 21.876 25.704 1.00 45.64 N +ATOM 2143 CA LEU A 469 16.807 20.828 25.406 1.00 46.70 C +ATOM 2144 C LEU A 469 17.944 20.814 26.417 1.00 48.87 C +ATOM 2145 O LEU A 469 18.477 19.753 26.761 1.00 49.15 O +ATOM 2146 CB LEU A 469 17.393 21.032 24.010 1.00 43.89 C +ATOM 2147 CG LEU A 469 16.415 20.969 22.843 1.00 41.40 C +ATOM 2148 CD1 LEU A 469 17.181 21.174 21.546 1.00 38.55 C +ATOM 2149 CD2 LEU A 469 15.704 19.609 22.847 1.00 42.12 C +ATOM 2150 N GLN A 470 18.323 21.997 26.883 1.00 49.46 N +ATOM 2151 CA GLN A 470 19.403 22.097 27.849 1.00 52.29 C +ATOM 2152 C GLN A 470 18.957 21.491 29.179 1.00 51.68 C +ATOM 2153 O GLN A 470 19.756 20.902 29.912 1.00 49.38 O +ATOM 2154 CB GLN A 470 19.804 23.564 28.029 1.00 53.13 C +ATOM 2155 CG GLN A 470 21.120 23.760 28.750 1.00 57.29 C +ATOM 2156 CD GLN A 470 21.622 25.191 28.659 1.00 60.23 C +ATOM 2157 OE1 GLN A 470 22.693 25.518 29.169 1.00 60.60 O +ATOM 2158 NE2 GLN A 470 20.846 26.052 28.004 1.00 60.79 N +ATOM 2159 N GLU A 471 17.669 21.617 29.475 1.00 52.29 N +ATOM 2160 CA GLU A 471 17.133 21.084 30.716 1.00 53.48 C +ATOM 2161 C GLU A 471 17.064 19.563 30.708 1.00 53.64 C +ATOM 2162 O GLU A 471 17.398 18.924 31.707 1.00 54.44 O +ATOM 2163 CB GLU A 471 15.743 21.655 30.988 1.00 53.54 C +ATOM 2164 CG GLU A 471 15.131 21.188 32.300 1.00 55.43 C +ATOM 2165 CD GLU A 471 15.980 21.554 33.505 1.00 58.08 C +ATOM 2166 OE1 GLU A 471 16.248 22.762 33.709 1.00 59.39 O +ATOM 2167 OE2 GLU A 471 16.378 20.632 34.249 1.00 57.99 O +ATOM 2168 N ILE A 472 16.639 18.972 29.595 1.00 53.19 N +ATOM 2169 CA ILE A 472 16.551 17.518 29.555 1.00 53.96 C +ATOM 2170 C ILE A 472 17.956 16.916 29.563 1.00 54.33 C +ATOM 2171 O ILE A 472 18.165 15.826 30.088 1.00 52.61 O +ATOM 2172 CB ILE A 472 15.719 16.999 28.324 1.00 54.03 C +ATOM 2173 CG1 ILE A 472 16.577 16.918 27.069 1.00 55.39 C +ATOM 2174 CG2 ILE A 472 14.511 17.896 28.081 1.00 53.05 C +ATOM 2175 CD1 ILE A 472 17.309 15.608 26.931 1.00 55.93 C +ATOM 2176 N TYR A 473 18.921 17.642 29.003 1.00 55.45 N +ATOM 2177 CA TYR A 473 20.308 17.179 28.964 1.00 57.55 C +ATOM 2178 C TYR A 473 21.012 17.392 30.301 1.00 59.16 C +ATOM 2179 O TYR A 473 22.089 16.851 30.547 1.00 58.15 O +ATOM 2180 CB TYR A 473 21.069 17.902 27.851 1.00 57.41 C +ATOM 2181 CG TYR A 473 20.814 17.320 26.481 1.00 59.36 C +ATOM 2182 CD1 TYR A 473 20.649 18.141 25.368 1.00 57.32 C +ATOM 2183 CD2 TYR A 473 20.744 15.938 26.296 1.00 59.30 C +ATOM 2184 CE1 TYR A 473 20.420 17.602 24.110 1.00 58.37 C +ATOM 2185 CE2 TYR A 473 20.518 15.391 25.038 1.00 60.02 C +ATOM 2186 CZ TYR A 473 20.356 16.228 23.951 1.00 58.87 C +ATOM 2187 OH TYR A 473 20.135 15.686 22.708 1.00 59.91 O +ATOM 2188 N LYS A 474 20.384 18.190 31.156 1.00 62.49 N +ATOM 2189 CA LYS A 474 20.890 18.503 32.490 1.00 66.38 C +ATOM 2190 C LYS A 474 20.709 17.270 33.371 1.00 68.27 C +ATOM 2191 O LYS A 474 19.789 17.201 34.184 1.00 69.00 O +ATOM 2192 CB LYS A 474 20.096 19.688 33.035 1.00 67.67 C +ATOM 2193 CG LYS A 474 20.147 19.917 34.521 1.00 69.99 C +ATOM 2194 CD LYS A 474 19.059 20.914 34.864 1.00 72.55 C +ATOM 2195 CE LYS A 474 19.022 21.273 36.335 1.00 74.41 C +ATOM 2196 NZ LYS A 474 17.999 22.333 36.575 1.00 76.01 N +ATOM 2197 N ASP A 475 21.612 16.312 33.190 1.00 71.06 N +ATOM 2198 CA ASP A 475 21.617 15.023 33.882 1.00 73.42 C +ATOM 2199 C ASP A 475 21.723 14.098 32.680 1.00 73.68 C +ATOM 2200 O ASP A 475 21.954 14.577 31.581 1.00 74.65 O +ATOM 2201 CB ASP A 475 20.296 14.780 34.633 1.00 75.97 C +ATOM 2202 CG ASP A 475 20.383 13.643 35.644 1.00 77.16 C +ATOM 2203 OD1 ASP A 475 21.448 13.483 36.274 1.00 77.85 O +ATOM 2204 OD2 ASP A 475 19.375 12.923 35.824 1.00 78.56 O +ATOM 2205 N ALEU A 476 21.585 12.796 32.911 0.50 73.47 N +ATOM 2206 N BLEU A 476 21.507 12.803 32.897 0.50 74.25 N +ATOM 2207 CA ALEU A 476 21.657 11.751 31.884 0.50 72.94 C +ATOM 2208 CA BLEU A 476 21.569 11.749 31.874 0.50 74.37 C +ATOM 2209 C ALEU A 476 22.594 10.661 32.404 0.50 73.28 C +ATOM 2210 C BLEU A 476 22.589 10.719 32.348 0.50 74.72 C +ATOM 2211 O ALEU A 476 23.338 10.055 31.599 0.50 73.60 O +ATOM 2212 O BLEU A 476 23.388 10.234 31.515 0.50 75.07 O +ATOM 2213 CB ALEU A 476 22.190 12.287 30.541 0.50 71.96 C +ATOM 2214 CB BLEU A 476 22.006 12.279 30.497 0.50 74.19 C +ATOM 2215 CG ALEU A 476 23.703 12.428 30.309 0.50 70.51 C +ATOM 2216 CG BLEU A 476 21.081 13.112 29.598 0.50 73.89 C +ATOM 2217 CD1ALEU A 476 24.052 11.763 28.991 0.50 70.48 C +ATOM 2218 CD1BLEU A 476 21.877 13.583 28.401 0.50 74.24 C +ATOM 2219 CD2ALEU A 476 24.139 13.881 30.298 0.50 70.04 C +ATOM 2220 CD2BLEU A 476 19.882 12.311 29.146 0.50 73.49 C +ATOM 2221 OXTALEU A 476 22.556 10.418 33.628 0.50 73.04 O +ATOM 2222 OXTBLEU A 476 22.567 10.407 33.557 0.50 74.54 O +TER 2223 LEU A 476 +END diff --git a/bench/main_benchmark/structures/SFB_FS_P13_2I4ZA_4M1EA/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_P13_2I4ZA_4M1EA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..52d83de0511ef81cd42c00b54bf234032a2d7ad8 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_P13_2I4ZA_4M1EA/state_b.pdb @@ -0,0 +1,1990 @@ +ATOM 1 N GLU A 3 12.729 -33.838 -13.525 1.00 62.93 N +ATOM 2 CA GLU A 3 11.754 -32.818 -13.036 1.00 58.90 C +ATOM 3 C GLU A 3 12.049 -32.346 -11.597 1.00 53.79 C +ATOM 4 O GLU A 3 12.691 -31.309 -11.396 1.00 51.27 O +ATOM 5 CB GLU A 3 10.310 -33.328 -13.193 1.00 60.07 C +ATOM 6 CG GLU A 3 10.048 -34.733 -12.653 1.00 62.00 C +ATOM 7 CD GLU A 3 8.870 -35.412 -13.329 1.00 65.79 C +ATOM 8 OE1 GLU A 3 7.985 -35.929 -12.615 1.00 66.01 O +ATOM 9 OE2 GLU A 3 8.826 -35.431 -14.578 1.00 66.52 O +ATOM 10 N LEU A 4 11.598 -33.120 -10.611 1.00 52.33 N +ATOM 11 CA LEU A 4 11.668 -32.714 -9.218 1.00 52.45 C +ATOM 12 C LEU A 4 13.113 -32.661 -8.711 1.00 50.95 C +ATOM 13 O LEU A 4 13.588 -31.596 -8.315 1.00 49.90 O +ATOM 14 CB LEU A 4 10.818 -33.640 -8.337 1.00 54.34 C +ATOM 15 CG LEU A 4 10.083 -32.981 -7.164 1.00 54.13 C +ATOM 16 CD1 LEU A 4 9.185 -33.979 -6.440 1.00 53.46 C +ATOM 17 CD2 LEU A 4 11.030 -32.311 -6.181 1.00 49.37 C +ATOM 18 N LYS A 5 13.798 -33.805 -8.731 1.00 50.78 N +ATOM 19 CA LYS A 5 15.193 -33.888 -8.290 1.00 52.88 C +ATOM 20 C LYS A 5 16.103 -32.927 -9.074 1.00 52.93 C +ATOM 21 O LYS A 5 17.107 -32.431 -8.550 1.00 53.75 O +ATOM 22 CB LYS A 5 15.719 -35.330 -8.364 1.00 54.47 C +ATOM 23 CG LYS A 5 16.879 -35.600 -7.409 1.00 55.24 C +ATOM 24 CD LYS A 5 17.817 -36.680 -7.920 1.00 59.77 C +ATOM 25 CE LYS A 5 19.067 -36.745 -7.052 1.00 62.47 C +ATOM 26 NZ LYS A 5 20.304 -36.969 -7.855 1.00 64.81 N +ATOM 27 N SER A 6 15.736 -32.645 -10.317 1.00 53.84 N +ATOM 28 CA SER A 6 16.489 -31.697 -11.127 1.00 56.53 C +ATOM 29 C SER A 6 16.306 -30.267 -10.623 1.00 55.93 C +ATOM 30 O SER A 6 17.261 -29.485 -10.624 1.00 57.95 O +ATOM 31 CB SER A 6 16.099 -31.798 -12.595 1.00 60.87 C +ATOM 32 OG SER A 6 17.067 -31.144 -13.388 1.00 64.87 O +ATOM 33 N ARG A 7 15.088 -29.933 -10.187 1.00 51.08 N +ATOM 34 CA ARG A 7 14.830 -28.645 -9.538 1.00 49.18 C +ATOM 35 C ARG A 7 15.541 -28.566 -8.183 1.00 46.30 C +ATOM 36 O ARG A 7 16.004 -27.487 -7.776 1.00 45.46 O +ATOM 37 CB ARG A 7 13.325 -28.402 -9.357 1.00 50.44 C +ATOM 38 CG ARG A 7 12.600 -27.826 -10.571 1.00 56.62 C +ATOM 39 CD ARG A 7 11.085 -27.759 -10.361 1.00 58.84 C +ATOM 40 NE ARG A 7 10.414 -26.870 -11.323 1.00 63.19 N +ATOM 41 CZ ARG A 7 9.131 -26.964 -11.689 1.00 63.16 C +ATOM 42 NH1 ARG A 7 8.344 -27.916 -11.194 1.00 64.67 N +ATOM 43 NH2 ARG A 7 8.625 -26.104 -12.563 1.00 60.81 N +ATOM 44 N ILE A 8 15.610 -29.708 -7.490 1.00 43.08 N +ATOM 45 CA ILE A 8 16.292 -29.804 -6.198 1.00 42.79 C +ATOM 46 C ILE A 8 17.784 -29.546 -6.393 1.00 45.35 C +ATOM 47 O ILE A 8 18.360 -28.698 -5.713 1.00 44.68 O +ATOM 48 CB ILE A 8 16.081 -31.179 -5.508 1.00 41.39 C +ATOM 49 CG1 ILE A 8 14.619 -31.365 -5.090 1.00 39.10 C +ATOM 50 CG2 ILE A 8 16.989 -31.319 -4.291 1.00 42.71 C +ATOM 51 CD1 ILE A 8 14.242 -32.817 -4.862 1.00 39.38 C +ATOM 52 N ASP A 9 18.392 -30.274 -7.328 1.00 47.91 N +ATOM 53 CA ASP A 9 19.820 -30.110 -7.655 1.00 50.26 C +ATOM 54 C ASP A 9 20.208 -28.674 -8.018 1.00 50.22 C +ATOM 55 O ASP A 9 21.225 -28.167 -7.539 1.00 51.62 O +ATOM 56 CB ASP A 9 20.238 -31.090 -8.760 1.00 54.76 C +ATOM 57 CG ASP A 9 20.149 -32.550 -8.313 1.00 58.02 C +ATOM 58 OD1 ASP A 9 19.864 -32.807 -7.122 1.00 59.28 O +ATOM 59 OD2 ASP A 9 20.358 -33.445 -9.157 1.00 60.20 O +ATOM 60 N GLN A 10 19.401 -28.025 -8.855 1.00 49.59 N +ATOM 61 CA GLN A 10 19.572 -26.599 -9.171 1.00 48.55 C +ATOM 62 C GLN A 10 19.477 -25.647 -7.962 1.00 45.88 C +ATOM 63 O GLN A 10 20.286 -24.734 -7.835 1.00 46.46 O +ATOM 64 CB GLN A 10 18.610 -26.176 -10.288 1.00 52.97 C +ATOM 65 CG GLN A 10 19.272 -26.131 -11.670 1.00 57.66 C +ATOM 66 CD GLN A 10 18.480 -26.859 -12.748 1.00 61.75 C +ATOM 67 OE1 GLN A 10 17.255 -26.712 -12.867 1.00 59.12 O +ATOM 68 NE2 GLN A 10 19.184 -27.654 -13.548 1.00 65.10 N +ATOM 69 N ALA A 11 18.507 -25.864 -7.077 1.00 43.45 N +ATOM 70 CA ALA A 11 18.354 -25.043 -5.860 1.00 42.53 C +ATOM 71 C ALA A 11 19.578 -25.139 -4.942 1.00 41.43 C +ATOM 72 O ALA A 11 20.022 -24.145 -4.363 1.00 41.02 O +ATOM 73 CB ALA A 11 17.109 -25.465 -5.097 1.00 42.03 C +ATOM 74 N THR A 12 20.111 -26.352 -4.829 1.00 40.80 N +ATOM 75 CA THR A 12 21.243 -26.663 -3.966 1.00 41.48 C +ATOM 76 C THR A 12 22.555 -26.204 -4.611 1.00 44.52 C +ATOM 77 O THR A 12 23.411 -25.612 -3.939 1.00 43.44 O +ATOM 78 CB THR A 12 21.237 -28.172 -3.632 1.00 41.70 C +ATOM 79 OG1 THR A 12 19.968 -28.510 -3.049 1.00 41.30 O +ATOM 80 CG2 THR A 12 22.348 -28.556 -2.664 1.00 41.70 C +ATOM 81 N ALA A 13 22.706 -26.456 -5.916 1.00 45.73 N +ATOM 82 CA ALA A 13 23.879 -25.958 -6.667 1.00 47.61 C +ATOM 83 C ALA A 13 24.118 -24.469 -6.408 1.00 49.72 C +ATOM 84 O ALA A 13 25.240 -24.069 -6.108 1.00 52.44 O +ATOM 85 CB ALA A 13 23.731 -26.236 -8.158 1.00 48.34 C +ATOM 86 N LYS A 14 23.057 -23.662 -6.492 1.00 51.38 N +ATOM 87 CA LYS A 14 23.152 -22.223 -6.230 1.00 53.50 C +ATOM 88 C LYS A 14 23.575 -21.903 -4.783 1.00 55.15 C +ATOM 89 O LYS A 14 24.477 -21.085 -4.566 1.00 55.89 O +ATOM 90 CB LYS A 14 21.831 -21.528 -6.573 1.00 55.26 C +ATOM 91 CG LYS A 14 21.932 -20.011 -6.734 1.00 59.56 C +ATOM 92 CD LYS A 14 22.720 -19.612 -7.980 1.00 61.80 C +ATOM 93 CE LYS A 14 23.095 -18.138 -7.957 1.00 63.42 C +ATOM 94 NZ LYS A 14 24.236 -17.816 -8.868 1.00 62.00 N +ATOM 95 N ILE A 15 22.933 -22.561 -3.811 1.00 49.83 N +ATOM 96 CA ILE A 15 23.170 -22.305 -2.380 1.00 48.22 C +ATOM 97 C ILE A 15 24.624 -22.584 -1.978 1.00 48.55 C +ATOM 98 O ILE A 15 25.210 -21.829 -1.202 1.00 47.19 O +ATOM 99 CB ILE A 15 22.163 -23.069 -1.467 1.00 44.94 C +ATOM 100 CG1 ILE A 15 20.764 -22.449 -1.599 1.00 42.48 C +ATOM 101 CG2 ILE A 15 22.594 -22.996 -0.003 1.00 44.88 C +ATOM 102 CD1 ILE A 15 19.624 -23.273 -1.031 1.00 40.74 C +ATOM 103 N SER A 16 25.188 -23.667 -2.513 1.00 51.52 N +ATOM 104 CA SER A 16 26.613 -23.975 -2.369 1.00 57.90 C +ATOM 105 C SER A 16 27.508 -22.777 -2.757 1.00 61.03 C +ATOM 106 O SER A 16 28.519 -22.510 -2.100 1.00 61.09 O +ATOM 107 CB SER A 16 26.986 -25.202 -3.219 1.00 60.59 C +ATOM 108 OG SER A 16 26.298 -26.373 -2.798 1.00 61.09 O +ATOM 109 N GLN A 17 27.120 -22.059 -3.813 1.00 61.16 N +ATOM 110 CA GLN A 17 27.873 -20.895 -4.296 1.00 62.63 C +ATOM 111 C GLN A 17 27.731 -19.665 -3.389 1.00 62.42 C +ATOM 112 O GLN A 17 28.517 -18.720 -3.491 1.00 61.72 O +ATOM 113 CB GLN A 17 27.466 -20.545 -5.730 1.00 62.71 C +ATOM 114 CG GLN A 17 27.544 -21.716 -6.699 1.00 62.83 C +ATOM 115 CD GLN A 17 27.622 -21.277 -8.147 1.00 64.24 C +ATOM 116 OE1 GLN A 17 26.875 -21.762 -8.994 1.00 62.69 O +ATOM 117 NE2 GLN A 17 28.534 -20.352 -8.440 1.00 66.63 N +ATOM 118 N LEU A 18 26.735 -19.671 -2.507 1.00 59.30 N +ATOM 119 CA LEU A 18 26.562 -18.569 -1.554 1.00 60.37 C +ATOM 120 C LEU A 18 26.983 -18.906 -0.110 1.00 61.61 C +ATOM 121 O LEU A 18 26.911 -18.055 0.788 1.00 62.38 O +ATOM 122 CB LEU A 18 25.121 -18.061 -1.582 1.00 57.98 C +ATOM 123 CG LEU A 18 24.664 -17.285 -2.817 1.00 56.84 C +ATOM 124 CD1 LEU A 18 23.238 -16.800 -2.599 1.00 54.21 C +ATOM 125 CD2 LEU A 18 25.600 -16.114 -3.119 1.00 57.01 C +ATOM 126 N TRP A 19 27.421 -20.147 0.097 1.00 59.29 N +ATOM 127 CA TRP A 19 27.717 -20.673 1.424 1.00 59.53 C +ATOM 128 C TRP A 19 28.418 -22.012 1.272 1.00 59.59 C +ATOM 129 O TRP A 19 27.906 -22.922 0.620 1.00 58.77 O +ATOM 130 CB TRP A 19 26.427 -20.848 2.236 1.00 58.41 C +ATOM 131 CG TRP A 19 26.641 -21.088 3.696 1.00 58.89 C +ATOM 132 CD1 TRP A 19 27.345 -20.298 4.564 1.00 59.27 C +ATOM 133 CD2 TRP A 19 26.130 -22.179 4.471 1.00 58.10 C +ATOM 134 NE1 TRP A 19 27.316 -20.837 5.826 1.00 57.63 N +ATOM 135 CE2 TRP A 19 26.570 -21.987 5.801 1.00 58.86 C +ATOM 136 CE3 TRP A 19 25.338 -23.296 4.173 1.00 58.14 C +ATOM 137 CZ2 TRP A 19 26.246 -22.875 6.835 1.00 56.16 C +ATOM 138 CZ3 TRP A 19 25.017 -24.178 5.202 1.00 56.90 C +ATOM 139 CH2 TRP A 19 25.474 -23.962 6.515 1.00 55.76 C +ATOM 140 N GLN A 20 29.598 -22.121 1.872 1.00 61.19 N +ATOM 141 CA GLN A 20 30.406 -23.329 1.766 1.00 62.70 C +ATOM 142 C GLN A 20 30.047 -24.342 2.866 1.00 59.91 C +ATOM 143 O GLN A 20 30.633 -25.422 2.945 1.00 61.36 O +ATOM 144 CB GLN A 20 31.902 -22.964 1.788 1.00 65.05 C +ATOM 145 CG GLN A 20 32.797 -23.871 0.940 1.00 69.03 C +ATOM 146 CD GLN A 20 32.670 -23.635 -0.566 1.00 69.16 C +ATOM 147 OE1 GLN A 20 31.986 -24.380 -1.267 1.00 66.11 O +ATOM 148 NE2 GLN A 20 33.346 -22.602 -1.067 1.00 71.48 N +ATOM 149 N GLY A 21 29.061 -23.996 3.690 1.00 57.91 N +ATOM 150 CA GLY A 21 28.616 -24.854 4.793 1.00 55.76 C +ATOM 151 C GLY A 21 27.933 -26.161 4.401 1.00 53.30 C +ATOM 152 O GLY A 21 27.265 -26.252 3.355 1.00 53.60 O +ATOM 153 N GLU A 22 28.120 -27.167 5.256 1.00 48.91 N +ATOM 154 CA GLU A 22 27.469 -28.467 5.147 1.00 47.85 C +ATOM 155 C GLU A 22 26.639 -28.687 6.426 1.00 44.96 C +ATOM 156 O GLU A 22 27.140 -29.210 7.433 1.00 41.83 O +ATOM 157 CB GLU A 22 28.504 -29.579 4.953 1.00 52.13 C +ATOM 158 CG GLU A 22 29.218 -29.525 3.604 1.00 57.13 C +ATOM 159 CD GLU A 22 30.383 -30.504 3.478 1.00 60.27 C +ATOM 160 OE1 GLU A 22 30.764 -31.153 4.477 1.00 58.56 O +ATOM 161 OE2 GLU A 22 30.932 -30.615 2.360 1.00 64.67 O +ATOM 162 N PRO A 23 25.367 -28.257 6.393 1.00 42.35 N +ATOM 163 CA PRO A 23 24.532 -28.268 7.588 1.00 41.39 C +ATOM 164 C PRO A 23 24.230 -29.682 8.085 1.00 38.88 C +ATOM 165 O PRO A 23 23.963 -30.585 7.287 1.00 39.40 O +ATOM 166 CB PRO A 23 23.244 -27.576 7.123 1.00 41.63 C +ATOM 167 CG PRO A 23 23.191 -27.815 5.652 1.00 43.47 C +ATOM 168 CD PRO A 23 24.629 -27.816 5.193 1.00 43.68 C +ATOM 169 N ALA A 24 24.284 -29.861 9.398 1.00 36.57 N +ATOM 170 CA ALA A 24 23.841 -31.102 10.040 1.00 35.96 C +ATOM 171 C ALA A 24 22.341 -31.084 10.346 1.00 33.97 C +ATOM 172 O ALA A 24 21.683 -32.121 10.300 1.00 33.88 O +ATOM 173 CB ALA A 24 24.644 -31.347 11.313 1.00 36.43 C +ATOM 174 N VAL A 25 21.811 -29.909 10.672 1.00 33.35 N +ATOM 175 CA VAL A 25 20.402 -29.765 11.094 1.00 31.58 C +ATOM 176 C VAL A 25 19.756 -28.757 10.164 1.00 32.35 C +ATOM 177 O VAL A 25 20.383 -27.743 9.822 1.00 32.51 O +ATOM 178 CB VAL A 25 20.320 -29.283 12.576 1.00 32.25 C +ATOM 179 CG1 VAL A 25 18.925 -28.771 12.962 1.00 31.39 C +ATOM 180 CG2 VAL A 25 20.777 -30.379 13.525 1.00 31.80 C +ATOM 181 N GLY A 26 18.540 -29.061 9.697 1.00 32.45 N +ATOM 182 CA GLY A 26 17.681 -28.092 8.992 1.00 33.08 C +ATOM 183 C GLY A 26 16.577 -27.612 9.932 1.00 33.90 C +ATOM 184 O GLY A 26 16.104 -28.366 10.783 1.00 31.55 O +ATOM 185 N ILE A 28 12.885 -25.248 10.501 1.00 33.52 N +ATOM 186 CA ILE A 28 11.717 -24.457 10.043 1.00 33.34 C +ATOM 187 C ILE A 28 11.016 -23.793 11.227 1.00 34.63 C +ATOM 188 O ILE A 28 10.535 -24.466 12.149 1.00 31.47 O +ATOM 189 CB ILE A 28 10.709 -25.298 9.221 1.00 30.32 C +ATOM 190 CG1 ILE A 28 11.444 -26.106 8.144 1.00 28.95 C +ATOM 191 CG2 ILE A 28 9.626 -24.400 8.602 1.00 29.39 C +ATOM 192 CD1 ILE A 28 10.527 -26.775 7.143 1.00 28.21 C +ATOM 193 N LEU A 29 10.960 -22.468 11.196 1.00 38.12 N +ATOM 194 CA LEU A 29 10.501 -21.687 12.343 1.00 39.21 C +ATOM 195 C LEU A 29 9.140 -21.030 12.081 1.00 40.22 C +ATOM 196 O LEU A 29 8.980 -20.325 11.078 1.00 41.23 O +ATOM 197 CB LEU A 29 11.556 -20.624 12.688 1.00 41.80 C +ATOM 198 CG LEU A 29 13.043 -21.015 12.696 1.00 42.01 C +ATOM 199 CD1 LEU A 29 13.915 -19.847 13.152 1.00 40.99 C +ATOM 200 CD2 LEU A 29 13.304 -22.222 13.579 1.00 40.31 C +ATOM 201 N GLY A 30 8.182 -21.235 12.994 1.00 37.44 N +ATOM 202 CA GLY A 30 6.779 -20.844 12.776 1.00 39.38 C +ATOM 203 C GLY A 30 6.302 -19.455 13.194 1.00 42.87 C +ATOM 204 O GLY A 30 7.086 -18.648 13.676 1.00 43.27 O +ATOM 205 N THR A 31 5.001 -19.193 13.017 1.00 44.95 N +ATOM 206 CA THR A 31 4.405 -17.862 13.247 1.00 46.89 C +ATOM 207 C THR A 31 4.739 -17.292 14.642 1.00 47.68 C +ATOM 208 O THR A 31 4.493 -17.939 15.663 1.00 47.29 O +ATOM 209 CB THR A 31 2.865 -17.865 13.035 1.00 48.02 C +ATOM 210 OG1 THR A 31 2.530 -18.559 11.824 1.00 48.84 O +ATOM 211 CG2 THR A 31 2.321 -16.442 12.947 1.00 47.04 C +ATOM 212 N GLY A 32 5.303 -16.083 14.665 1.00 47.99 N +ATOM 213 CA GLY A 32 5.753 -15.443 15.903 1.00 47.42 C +ATOM 214 C GLY A 32 6.973 -16.088 16.552 1.00 45.75 C +ATOM 215 O GLY A 32 7.358 -15.710 17.665 1.00 44.68 O +ATOM 216 N LEU A 33 7.579 -17.056 15.862 1.00 44.30 N +ATOM 217 CA LEU A 33 8.738 -17.793 16.381 1.00 45.42 C +ATOM 218 C LEU A 33 10.033 -17.441 15.654 1.00 51.34 C +ATOM 219 O LEU A 33 11.092 -17.992 15.964 1.00 48.72 O +ATOM 220 CB LEU A 33 8.480 -19.307 16.332 1.00 44.37 C +ATOM 221 CG LEU A 33 7.165 -19.722 17.000 1.00 42.27 C +ATOM 222 CD1 LEU A 33 6.772 -21.178 16.706 1.00 40.70 C +ATOM 223 CD2 LEU A 33 7.315 -19.470 18.492 1.00 41.49 C +ATOM 224 N GLY A 34 9.933 -16.512 14.696 1.00 56.34 N +ATOM 225 CA GLY A 34 11.079 -16.002 13.948 1.00 54.20 C +ATOM 226 C GLY A 34 12.197 -15.468 14.832 1.00 52.94 C +ATOM 227 O GLY A 34 13.342 -15.380 14.387 1.00 51.71 O +ATOM 228 N GLY A 35 11.864 -15.134 16.085 1.00 51.46 N +ATOM 229 CA GLY A 35 12.819 -14.594 17.053 1.00 52.12 C +ATOM 230 C GLY A 35 13.959 -15.555 17.319 1.00 51.94 C +ATOM 231 O GLY A 35 15.034 -15.145 17.766 1.00 51.37 O +ATOM 232 N LEU A 36 13.714 -16.834 17.017 1.00 51.08 N +ATOM 233 CA LEU A 36 14.685 -17.916 17.245 1.00 52.07 C +ATOM 234 C LEU A 36 15.959 -17.811 16.397 1.00 52.23 C +ATOM 235 O LEU A 36 17.038 -18.201 16.851 1.00 54.10 O +ATOM 236 CB LEU A 36 14.017 -19.287 17.050 1.00 49.31 C +ATOM 237 CG LEU A 36 12.956 -19.631 18.095 1.00 47.60 C +ATOM 238 CD1 LEU A 36 12.005 -20.740 17.657 1.00 45.36 C +ATOM 239 CD2 LEU A 36 13.652 -19.978 19.401 1.00 47.98 C +ATOM 240 N ALA A 37 15.833 -17.273 15.183 1.00 49.33 N +ATOM 241 CA ALA A 37 16.989 -17.064 14.305 1.00 49.28 C +ATOM 242 C ALA A 37 18.085 -16.168 14.919 1.00 50.71 C +ATOM 243 O ALA A 37 19.250 -16.262 14.534 1.00 49.84 O +ATOM 244 CB ALA A 37 16.541 -16.531 12.957 1.00 47.37 C +ATOM 245 N GLU A 38 17.708 -15.321 15.877 1.00 51.41 N +ATOM 246 CA GLU A 38 18.642 -14.409 16.550 1.00 57.24 C +ATOM 247 C GLU A 38 19.747 -15.171 17.295 1.00 58.63 C +ATOM 248 O GLU A 38 20.807 -14.614 17.598 1.00 59.64 O +ATOM 249 CB GLU A 38 17.877 -13.493 17.517 1.00 61.91 C +ATOM 250 CG GLU A 38 18.656 -12.292 18.049 1.00 70.52 C +ATOM 251 CD GLU A 38 17.891 -11.486 19.097 1.00 76.09 C +ATOM 252 OE1 GLU A 38 16.648 -11.372 19.005 1.00 76.41 O +ATOM 253 OE2 GLU A 38 18.539 -10.948 20.019 1.00 78.53 O +ATOM 254 N GLN A 39 19.494 -16.447 17.575 1.00 60.47 N +ATOM 255 CA GLN A 39 20.445 -17.296 18.292 1.00 63.39 C +ATOM 256 C GLN A 39 21.603 -17.783 17.399 1.00 59.20 C +ATOM 257 O GLN A 39 22.668 -18.153 17.900 1.00 59.62 O +ATOM 258 CB GLN A 39 19.705 -18.487 18.920 1.00 66.23 C +ATOM 259 CG GLN A 39 20.360 -19.046 20.178 1.00 67.66 C +ATOM 260 CD GLN A 39 20.011 -18.269 21.435 1.00 70.50 C +ATOM 261 OE1 GLN A 39 18.901 -17.743 21.575 1.00 73.11 O +ATOM 262 NE2 GLN A 39 20.955 -18.204 22.366 1.00 70.59 N +ATOM 263 N ILE A 40 21.383 -17.767 16.084 1.00 53.14 N +ATOM 264 CA ILE A 40 22.345 -18.269 15.101 1.00 50.75 C +ATOM 265 C ILE A 40 23.472 -17.257 14.841 1.00 51.93 C +ATOM 266 O ILE A 40 23.208 -16.063 14.677 1.00 50.94 O +ATOM 267 CB ILE A 40 21.633 -18.621 13.759 1.00 48.54 C +ATOM 268 CG1 ILE A 40 20.461 -19.592 14.008 1.00 48.05 C +ATOM 269 CG2 ILE A 40 22.617 -19.190 12.730 1.00 44.96 C +ATOM 270 CD1 ILE A 40 19.542 -19.821 12.820 1.00 48.99 C +ATOM 271 N GLU A 41 24.721 -17.733 14.816 1.00 50.89 N +ATOM 272 CA GLU A 41 25.828 -16.948 14.267 1.00 52.34 C +ATOM 273 C GLU A 41 25.771 -17.115 12.758 1.00 47.98 C +ATOM 274 O GLU A 41 26.171 -18.148 12.224 1.00 45.62 O +ATOM 275 CB GLU A 41 27.187 -17.407 14.807 1.00 57.25 C +ATOM 276 CG GLU A 41 27.447 -17.065 16.271 1.00 63.88 C +ATOM 277 CD GLU A 41 27.495 -15.571 16.548 1.00 69.68 C +ATOM 278 OE1 GLU A 41 28.116 -14.815 15.760 1.00 69.41 O +ATOM 279 OE2 GLU A 41 26.912 -15.153 17.571 1.00 72.27 O +ATOM 280 N GLN A 42 25.256 -16.085 12.096 1.00 47.13 N +ATOM 281 CA GLN A 42 24.882 -16.133 10.695 1.00 48.67 C +ATOM 282 C GLN A 42 26.049 -15.783 9.787 1.00 51.12 C +ATOM 283 O GLN A 42 26.651 -14.718 9.931 1.00 53.53 O +ATOM 284 CB GLN A 42 23.715 -15.163 10.469 1.00 49.97 C +ATOM 285 CG GLN A 42 23.583 -14.617 9.059 1.00 53.90 C +ATOM 286 CD GLN A 42 22.441 -13.626 8.926 1.00 57.06 C +ATOM 287 OE1 GLN A 42 21.279 -13.957 9.180 1.00 57.41 O +ATOM 288 NE2 GLN A 42 22.765 -12.401 8.522 1.00 57.13 N +ATOM 289 N ASP A 43 26.380 -16.694 8.872 1.00 50.83 N +ATOM 290 CA ASP A 43 27.324 -16.406 7.784 1.00 51.28 C +ATOM 291 C ASP A 43 26.627 -15.612 6.698 1.00 52.96 C +ATOM 292 O ASP A 43 27.147 -14.598 6.215 1.00 53.32 O +ATOM 293 CB ASP A 43 27.825 -17.695 7.127 1.00 51.78 C +ATOM 294 CG ASP A 43 28.659 -18.543 8.043 1.00 52.83 C +ATOM 295 OD1 ASP A 43 29.287 -18.003 8.980 1.00 53.27 O +ATOM 296 OD2 ASP A 43 28.708 -19.763 7.798 1.00 53.35 O +ATOM 297 N ILE A 44 25.456 -16.106 6.295 1.00 52.20 N +ATOM 298 CA ILE A 44 24.714 -15.559 5.161 1.00 54.40 C +ATOM 299 C ILE A 44 23.201 -15.734 5.357 1.00 53.76 C +ATOM 300 O ILE A 44 22.737 -16.726 5.937 1.00 51.78 O +ATOM 301 CB ILE A 44 25.195 -16.162 3.799 1.00 54.27 C +ATOM 302 CG1 ILE A 44 24.711 -15.329 2.597 1.00 54.59 C +ATOM 303 CG2 ILE A 44 24.771 -17.618 3.632 1.00 52.01 C +ATOM 304 CD1 ILE A 44 25.421 -13.999 2.426 1.00 55.98 C +ATOM 305 N ALA A 45 22.453 -14.729 4.919 1.00 53.65 N +ATOM 306 CA ALA A 45 21.017 -14.823 4.788 1.00 53.73 C +ATOM 307 C ALA A 45 20.727 -14.750 3.296 1.00 54.30 C +ATOM 308 O ALA A 45 21.076 -13.765 2.633 1.00 56.42 O +ATOM 309 CB ALA A 45 20.335 -13.686 5.532 1.00 53.86 C +ATOM 310 N ILE A 46 20.120 -15.806 2.767 1.00 50.93 N +ATOM 311 CA ILE A 46 19.795 -15.877 1.349 1.00 49.71 C +ATOM 312 C ILE A 46 18.318 -15.585 1.153 1.00 51.26 C +ATOM 313 O ILE A 46 17.455 -16.312 1.670 1.00 51.90 O +ATOM 314 CB ILE A 46 20.148 -17.243 0.736 1.00 45.81 C +ATOM 315 CG1 ILE A 46 21.603 -17.589 1.016 1.00 42.02 C +ATOM 316 CG2 ILE A 46 19.880 -17.245 -0.753 1.00 47.28 C +ATOM 317 CD1 ILE A 46 21.898 -19.066 0.955 1.00 40.79 C +ATOM 318 N PRO A 47 18.013 -14.498 0.430 1.00 53.30 N +ATOM 319 CA PRO A 47 16.616 -14.213 0.145 1.00 55.11 C +ATOM 320 C PRO A 47 16.043 -15.311 -0.766 1.00 56.00 C +ATOM 321 O PRO A 47 16.751 -15.814 -1.652 1.00 55.95 O +ATOM 322 CB PRO A 47 16.678 -12.848 -0.557 1.00 54.10 C +ATOM 323 CG PRO A 47 17.970 -12.243 -0.108 1.00 53.34 C +ATOM 324 CD PRO A 47 18.903 -13.416 -0.034 1.00 52.26 C +ATOM 325 N TYR A 48 14.791 -15.695 -0.516 1.00 55.93 N +ATOM 326 CA TYR A 48 14.151 -16.810 -1.223 1.00 54.28 C +ATOM 327 C TYR A 48 14.193 -16.711 -2.754 1.00 55.55 C +ATOM 328 O TYR A 48 14.302 -17.725 -3.438 1.00 51.97 O +ATOM 329 CB TYR A 48 12.722 -17.021 -0.718 1.00 52.11 C +ATOM 330 CG TYR A 48 12.627 -17.623 0.674 1.00 50.43 C +ATOM 331 CD1 TYR A 48 13.665 -18.400 1.201 1.00 49.65 C +ATOM 332 CD2 TYR A 48 11.498 -17.423 1.458 1.00 48.86 C +ATOM 333 CE1 TYR A 48 13.575 -18.957 2.468 1.00 48.95 C +ATOM 334 CE2 TYR A 48 11.394 -17.982 2.721 1.00 50.48 C +ATOM 335 CZ TYR A 48 12.439 -18.742 3.230 1.00 49.96 C +ATOM 336 OH TYR A 48 12.335 -19.298 4.495 1.00 47.43 O +ATOM 337 N SER A 49 14.150 -15.482 -3.268 1.00 62.65 N +ATOM 338 CA SER A 49 14.243 -15.188 -4.714 1.00 65.66 C +ATOM 339 C SER A 49 15.566 -15.618 -5.383 1.00 65.66 C +ATOM 340 O SER A 49 15.596 -15.898 -6.588 1.00 63.88 O +ATOM 341 CB SER A 49 14.026 -13.688 -4.967 1.00 69.13 C +ATOM 342 OG SER A 49 13.283 -13.076 -3.921 1.00 72.08 O +ATOM 343 N ASP A 50 16.656 -15.646 -4.612 1.00 64.32 N +ATOM 344 CA ASP A 50 17.971 -15.998 -5.155 1.00 65.56 C +ATOM 345 C ASP A 50 18.137 -17.507 -5.323 1.00 63.84 C +ATOM 346 O ASP A 50 19.139 -17.979 -5.882 1.00 62.23 O +ATOM 347 CB ASP A 50 19.099 -15.432 -4.285 1.00 68.80 C +ATOM 348 CG ASP A 50 19.204 -13.916 -4.368 1.00 73.12 C +ATOM 349 OD1 ASP A 50 18.941 -13.343 -5.452 1.00 73.74 O +ATOM 350 OD2 ASP A 50 19.562 -13.297 -3.342 1.00 73.79 O +ATOM 351 N ILE A 51 17.148 -18.254 -4.841 1.00 63.92 N +ATOM 352 CA ILE A 51 17.179 -19.711 -4.898 1.00 64.03 C +ATOM 353 C ILE A 51 16.210 -20.216 -5.966 1.00 63.44 C +ATOM 354 O ILE A 51 15.004 -19.976 -5.871 1.00 62.29 O +ATOM 355 CB ILE A 51 16.841 -20.350 -3.535 1.00 60.32 C +ATOM 356 CG1 ILE A 51 17.519 -19.569 -2.399 1.00 59.84 C +ATOM 357 CG2 ILE A 51 17.254 -21.818 -3.542 1.00 59.28 C +ATOM 358 CD1 ILE A 51 16.982 -19.856 -1.009 1.00 57.30 C +ATOM 359 N PRO A 52 16.738 -20.907 -6.993 1.00 65.27 N +ATOM 360 CA PRO A 52 15.879 -21.434 -8.051 1.00 65.90 C +ATOM 361 C PRO A 52 14.737 -22.272 -7.485 1.00 65.26 C +ATOM 362 O PRO A 52 14.991 -23.262 -6.790 1.00 64.28 O +ATOM 363 CB PRO A 52 16.837 -22.305 -8.873 1.00 66.27 C +ATOM 364 CG PRO A 52 18.177 -21.695 -8.663 1.00 64.45 C +ATOM 365 CD PRO A 52 18.166 -21.182 -7.251 1.00 64.27 C +ATOM 366 N HIS A 53 13.504 -21.832 -7.760 1.00 63.67 N +ATOM 367 CA HIS A 53 12.243 -22.557 -7.471 1.00 62.23 C +ATOM 368 C HIS A 53 11.635 -22.392 -6.058 1.00 64.24 C +ATOM 369 O HIS A 53 10.941 -23.283 -5.571 1.00 64.93 O +ATOM 370 CB HIS A 53 12.349 -24.041 -7.865 1.00 61.57 C +ATOM 371 CG HIS A 53 12.942 -24.264 -9.224 1.00 65.25 C +ATOM 372 ND1 HIS A 53 12.307 -23.881 -10.388 1.00 65.21 N +ATOM 373 CD2 HIS A 53 14.115 -24.825 -9.603 1.00 65.57 C +ATOM 374 CE1 HIS A 53 13.059 -24.206 -11.425 1.00 63.55 C +ATOM 375 NE2 HIS A 53 14.162 -24.778 -10.976 1.00 63.96 N +ATOM 376 N PHE A 54 11.876 -21.245 -5.424 1.00 65.05 N +ATOM 377 CA PHE A 54 11.325 -20.934 -4.098 1.00 62.45 C +ATOM 378 C PHE A 54 10.131 -19.966 -4.185 1.00 63.63 C +ATOM 379 O PHE A 54 10.131 -19.039 -4.995 1.00 61.81 O +ATOM 380 CB PHE A 54 12.410 -20.330 -3.189 1.00 58.77 C +ATOM 381 CG PHE A 54 13.061 -21.310 -2.229 1.00 52.64 C +ATOM 382 CD1 PHE A 54 13.815 -22.388 -2.692 1.00 50.98 C +ATOM 383 CD2 PHE A 54 12.966 -21.115 -0.850 1.00 48.56 C +ATOM 384 CE1 PHE A 54 14.431 -23.265 -1.799 1.00 46.30 C +ATOM 385 CE2 PHE A 54 13.588 -21.983 0.045 1.00 44.82 C +ATOM 386 CZ PHE A 54 14.324 -23.058 -0.433 1.00 43.13 C +ATOM 387 N PRO A 55 9.108 -20.187 -3.342 1.00 65.95 N +ATOM 388 CA PRO A 55 7.873 -19.382 -3.221 1.00 70.12 C +ATOM 389 C PRO A 55 8.030 -17.950 -2.629 1.00 74.48 C +ATOM 390 O PRO A 55 8.989 -17.251 -2.966 1.00 78.63 O +ATOM 391 CB PRO A 55 6.984 -20.258 -2.321 1.00 66.70 C +ATOM 392 CG PRO A 55 7.528 -21.642 -2.463 1.00 65.38 C +ATOM 393 CD PRO A 55 9.005 -21.455 -2.596 1.00 64.00 C +ATOM 394 N THR A 56 7.072 -17.532 -1.785 1.00 73.96 N +ATOM 395 CA THR A 56 7.043 -16.210 -1.108 1.00 72.42 C +ATOM 396 C THR A 56 6.313 -16.274 0.258 1.00 76.22 C +ATOM 397 O THR A 56 5.221 -16.844 0.354 1.00 71.14 O +ATOM 398 CB THR A 56 6.316 -15.157 -1.969 1.00 68.02 C +ATOM 399 OG1 THR A 56 6.769 -15.246 -3.323 1.00 70.11 O +ATOM 400 CG2 THR A 56 6.544 -13.741 -1.430 1.00 67.40 C +ATOM 401 N SER A 57 6.904 -15.684 1.304 1.00 80.17 N +ATOM 402 CA SER A 57 6.250 -15.606 2.628 1.00 82.95 C +ATOM 403 C SER A 57 5.433 -14.318 2.806 1.00 87.70 C +ATOM 404 O SER A 57 5.973 -13.211 2.725 1.00 92.02 O +ATOM 405 CB SER A 57 7.270 -15.757 3.768 1.00 78.24 C +ATOM 406 OG SER A 57 7.551 -17.120 4.043 1.00 71.95 O +ATOM 407 N THR A 58 4.133 -14.471 3.057 1.00 87.33 N +ATOM 408 CA THR A 58 3.209 -13.329 3.121 1.00 87.49 C +ATOM 409 C THR A 58 2.394 -13.234 4.426 1.00 81.68 C +ATOM 410 O THR A 58 1.729 -12.221 4.678 1.00 78.55 O +ATOM 411 CB THR A 58 2.249 -13.305 1.907 1.00 92.56 C +ATOM 412 OG1 THR A 58 1.708 -14.617 1.695 1.00 90.60 O +ATOM 413 CG2 THR A 58 2.980 -12.845 0.641 1.00 95.17 C +ATOM 414 N VAL A 59 2.445 -14.284 5.244 1.00 77.71 N +ATOM 415 CA VAL A 59 1.807 -14.277 6.567 1.00 74.88 C +ATOM 416 C VAL A 59 2.626 -13.381 7.514 1.00 74.67 C +ATOM 417 O VAL A 59 3.857 -13.499 7.584 1.00 70.57 O +ATOM 418 CB VAL A 59 1.661 -15.713 7.145 1.00 70.70 C +ATOM 419 CG1 VAL A 59 0.868 -15.713 8.445 1.00 67.12 C +ATOM 420 CG2 VAL A 59 1.007 -16.646 6.132 1.00 66.07 C +ATOM 421 N LYS A 60 1.943 -12.481 8.222 1.00 75.50 N +ATOM 422 CA LYS A 60 2.607 -11.556 9.146 1.00 74.10 C +ATOM 423 C LYS A 60 3.475 -12.264 10.188 1.00 70.77 C +ATOM 424 O LYS A 60 3.022 -13.203 10.847 1.00 68.01 O +ATOM 425 CB LYS A 60 1.597 -10.620 9.823 1.00 76.15 C +ATOM 426 CG LYS A 60 1.494 -9.232 9.195 1.00 81.93 C +ATOM 427 CD LYS A 60 2.798 -8.442 9.330 1.00 86.17 C +ATOM 428 CE LYS A 60 2.563 -6.941 9.449 1.00 86.23 C +ATOM 429 NZ LYS A 60 2.019 -6.315 8.209 1.00 86.96 N +ATOM 430 N SER A 61 4.719 -11.787 10.307 1.00 71.98 N +ATOM 431 CA SER A 61 5.789 -12.335 11.177 1.00 69.15 C +ATOM 432 C SER A 61 6.728 -13.318 10.451 1.00 66.76 C +ATOM 433 O SER A 61 7.856 -13.556 10.896 1.00 65.29 O +ATOM 434 CB SER A 61 5.252 -12.934 12.490 1.00 66.43 C +ATOM 435 OG SER A 61 4.830 -14.275 12.310 1.00 64.42 O +ATOM 436 N HIS A 62 6.253 -13.888 9.343 1.00 65.85 N +ATOM 437 CA HIS A 62 7.092 -14.726 8.483 1.00 67.62 C +ATOM 438 C HIS A 62 7.955 -13.827 7.586 1.00 67.34 C +ATOM 439 O HIS A 62 7.471 -13.249 6.602 1.00 63.70 O +ATOM 440 CB HIS A 62 6.246 -15.725 7.666 1.00 64.24 C +ATOM 441 CG HIS A 62 5.504 -16.723 8.508 1.00 64.22 C +ATOM 442 ND1 HIS A 62 5.993 -17.984 8.780 1.00 62.04 N +ATOM 443 CD2 HIS A 62 4.310 -16.642 9.142 1.00 62.56 C +ATOM 444 CE1 HIS A 62 5.134 -18.636 9.544 1.00 58.09 C +ATOM 445 NE2 HIS A 62 4.104 -17.844 9.776 1.00 59.69 N +ATOM 446 N ALA A 63 9.229 -13.702 7.960 1.00 67.74 N +ATOM 447 CA ALA A 63 10.170 -12.786 7.307 1.00 66.50 C +ATOM 448 C ALA A 63 10.605 -13.233 5.904 1.00 65.63 C +ATOM 449 O ALA A 63 10.814 -12.397 5.023 1.00 69.00 O +ATOM 450 CB ALA A 63 11.382 -12.554 8.201 1.00 67.81 C +ATOM 451 N GLY A 64 10.761 -14.543 5.710 1.00 63.28 N +ATOM 452 CA GLY A 64 11.049 -15.123 4.387 1.00 59.26 C +ATOM 453 C GLY A 64 12.470 -15.027 3.827 1.00 52.41 C +ATOM 454 O GLY A 64 12.696 -14.349 2.832 1.00 47.93 O +ATOM 455 N ARG A 65 13.417 -15.735 4.446 1.00 52.53 N +ATOM 456 CA ARG A 65 14.809 -15.811 3.953 1.00 52.51 C +ATOM 457 C ARG A 65 15.525 -17.043 4.519 1.00 48.20 C +ATOM 458 O ARG A 65 15.135 -17.550 5.562 1.00 48.98 O +ATOM 459 CB ARG A 65 15.597 -14.530 4.289 1.00 56.93 C +ATOM 460 CG ARG A 65 15.755 -14.255 5.778 1.00 59.47 C +ATOM 461 CD ARG A 65 16.534 -12.985 6.079 1.00 62.66 C +ATOM 462 NE ARG A 65 15.671 -11.805 6.125 1.00 64.84 N +ATOM 463 CZ ARG A 65 16.079 -10.563 5.861 1.00 65.85 C +ATOM 464 NH1 ARG A 65 17.344 -10.319 5.524 1.00 66.20 N +ATOM 465 NH2 ARG A 65 15.216 -9.557 5.923 1.00 64.92 N +ATOM 466 N LEU A 66 16.569 -17.511 3.834 1.00 46.72 N +ATOM 467 CA LEU A 66 17.300 -18.699 4.272 1.00 44.86 C +ATOM 468 C LEU A 66 18.556 -18.344 5.066 1.00 46.09 C +ATOM 469 O LEU A 66 19.576 -17.954 4.492 1.00 48.48 O +ATOM 470 CB LEU A 66 17.653 -19.598 3.084 1.00 44.73 C +ATOM 471 CG LEU A 66 17.905 -21.074 3.429 1.00 43.38 C +ATOM 472 CD1 LEU A 66 16.625 -21.768 3.906 1.00 41.31 C +ATOM 473 CD2 LEU A 66 18.499 -21.814 2.243 1.00 44.45 C +ATOM 474 N VAL A 67 18.458 -18.488 6.388 1.00 44.60 N +ATOM 475 CA VAL A 67 19.531 -18.166 7.329 1.00 43.36 C +ATOM 476 C VAL A 67 20.527 -19.326 7.471 1.00 43.99 C +ATOM 477 O VAL A 67 20.179 -20.410 7.954 1.00 40.47 O +ATOM 478 CB VAL A 67 18.932 -17.789 8.703 1.00 42.09 C +ATOM 479 CG1 VAL A 67 20.004 -17.595 9.769 1.00 42.84 C +ATOM 480 CG2 VAL A 67 18.078 -16.542 8.573 1.00 43.58 C +ATOM 481 N CYS A 68 21.776 -19.091 7.064 1.00 44.37 N +ATOM 482 CA CYS A 68 22.802 -20.116 7.165 1.00 42.87 C +ATOM 483 C CYS A 68 23.889 -19.695 8.153 1.00 43.71 C +ATOM 484 O CYS A 68 24.255 -18.517 8.230 1.00 43.54 O +ATOM 485 CB CYS A 68 23.378 -20.433 5.789 1.00 45.17 C +ATOM 486 SG CYS A 68 22.112 -20.636 4.512 1.00 46.08 S +ATOM 487 N GLY A 69 24.374 -20.657 8.931 1.00 44.61 N +ATOM 488 CA GLY A 69 25.396 -20.381 9.937 1.00 43.38 C +ATOM 489 C GLY A 69 25.629 -21.526 10.905 1.00 43.28 C +ATOM 490 O GLY A 69 25.660 -22.700 10.513 1.00 43.56 O +ATOM 491 N ARG A 70 25.787 -21.165 12.175 1.00 41.10 N +ATOM 492 CA ARG A 70 26.173 -22.092 13.221 1.00 41.72 C +ATOM 493 C ARG A 70 25.472 -21.742 14.525 1.00 39.91 C +ATOM 494 O ARG A 70 25.315 -20.575 14.868 1.00 40.07 O +ATOM 495 CB ARG A 70 27.702 -22.090 13.411 1.00 42.91 C +ATOM 496 CG ARG A 70 28.411 -23.102 12.524 1.00 45.18 C +ATOM 497 CD ARG A 70 29.894 -22.820 12.336 1.00 49.82 C +ATOM 498 NE ARG A 70 30.341 -23.256 11.007 1.00 56.40 N +ATOM 499 CZ ARG A 70 30.809 -24.472 10.706 1.00 58.74 C +ATOM 500 NH1 ARG A 70 30.918 -25.416 11.638 1.00 57.59 N +ATOM 501 NH2 ARG A 70 31.183 -24.744 9.459 1.00 58.87 N +ATOM 502 N LEU A 71 25.030 -22.768 15.233 1.00 39.53 N +ATOM 503 CA LEU A 71 24.448 -22.595 16.560 1.00 40.90 C +ATOM 504 C LEU A 71 25.137 -23.623 17.442 1.00 40.15 C +ATOM 505 O LEU A 71 25.124 -24.812 17.133 1.00 39.60 O +ATOM 506 CB LEU A 71 22.923 -22.785 16.514 1.00 41.10 C +ATOM 507 CG LEU A 71 22.079 -22.927 17.797 1.00 43.17 C +ATOM 508 CD1 LEU A 71 22.403 -21.877 18.858 1.00 44.73 C +ATOM 509 CD2 LEU A 71 20.592 -22.905 17.460 1.00 41.89 C +ATOM 510 N ARG A 72 25.783 -23.145 18.502 1.00 42.79 N +ATOM 511 CA ARG A 72 26.662 -23.976 19.337 1.00 46.08 C +ATOM 512 C ARG A 72 27.619 -24.829 18.511 1.00 48.19 C +ATOM 513 O ARG A 72 27.737 -26.038 18.733 1.00 48.82 O +ATOM 514 CB ARG A 72 25.852 -24.873 20.271 1.00 45.16 C +ATOM 515 CG ARG A 72 24.946 -24.116 21.220 1.00 46.15 C +ATOM 516 CD ARG A 72 25.698 -23.599 22.438 1.00 46.08 C +ATOM 517 NE ARG A 72 24.720 -23.155 23.414 1.00 44.96 N +ATOM 518 CZ ARG A 72 24.385 -23.834 24.503 1.00 45.17 C +ATOM 519 NH1 ARG A 72 24.985 -24.989 24.795 1.00 43.14 N +ATOM 520 NH2 ARG A 72 23.447 -23.344 25.304 1.00 45.79 N +ATOM 521 N GLY A 73 28.276 -24.195 17.548 1.00 50.08 N +ATOM 522 CA GLY A 73 29.226 -24.875 16.664 1.00 53.75 C +ATOM 523 C GLY A 73 28.648 -25.964 15.772 1.00 55.05 C +ATOM 524 O GLY A 73 29.397 -26.767 15.209 1.00 60.85 O +ATOM 525 N ILE A 74 27.324 -26.006 15.647 1.00 51.32 N +ATOM 526 CA ILE A 74 26.660 -27.002 14.802 1.00 46.51 C +ATOM 527 C ILE A 74 26.184 -26.281 13.539 1.00 44.11 C +ATOM 528 O ILE A 74 25.366 -25.364 13.627 1.00 45.70 O +ATOM 529 CB ILE A 74 25.476 -27.690 15.527 1.00 45.12 C +ATOM 530 CG1 ILE A 74 25.911 -28.336 16.862 1.00 46.86 C +ATOM 531 CG2 ILE A 74 24.767 -28.691 14.615 1.00 41.79 C +ATOM 532 CD1 ILE A 74 26.868 -29.518 16.741 1.00 46.95 C +ATOM 533 N PRO A 75 26.717 -26.670 12.364 1.00 41.72 N +ATOM 534 CA PRO A 75 26.327 -26.028 11.111 1.00 38.69 C +ATOM 535 C PRO A 75 24.844 -26.263 10.843 1.00 35.09 C +ATOM 536 O PRO A 75 24.368 -27.398 10.930 1.00 33.22 O +ATOM 537 CB PRO A 75 27.183 -26.751 10.065 1.00 40.56 C +ATOM 538 CG PRO A 75 27.498 -28.078 10.687 1.00 41.90 C +ATOM 539 CD PRO A 75 27.703 -27.747 12.138 1.00 42.10 C +ATOM 540 N ILE A 76 24.120 -25.190 10.548 1.00 34.55 N +ATOM 541 CA ILE A 76 22.663 -25.276 10.375 1.00 34.54 C +ATOM 542 C ILE A 76 22.143 -24.354 9.287 1.00 34.28 C +ATOM 543 O ILE A 76 22.793 -23.352 8.929 1.00 34.59 O +ATOM 544 CB ILE A 76 21.907 -24.910 11.662 1.00 36.83 C +ATOM 545 CG1 ILE A 76 22.352 -23.529 12.181 1.00 37.94 C +ATOM 546 CG2 ILE A 76 22.094 -25.986 12.726 1.00 39.94 C +ATOM 547 CD1 ILE A 76 21.394 -22.911 13.169 1.00 39.54 C +ATOM 548 N VAL A 77 20.962 -24.708 8.779 1.00 32.17 N +ATOM 549 CA VAL A 77 20.208 -23.894 7.819 1.00 34.21 C +ATOM 550 C VAL A 77 18.805 -23.722 8.390 1.00 33.20 C +ATOM 551 O VAL A 77 18.210 -24.697 8.843 1.00 30.14 O +ATOM 552 CB VAL A 77 20.167 -24.546 6.401 1.00 35.10 C +ATOM 553 CG1 VAL A 77 19.992 -26.057 6.468 1.00 34.78 C +ATOM 554 CG2 VAL A 77 19.043 -23.961 5.565 1.00 37.04 C +ATOM 555 N ALA A 78 18.309 -22.488 8.410 1.00 34.23 N +ATOM 556 CA ALA A 78 17.011 -22.193 9.016 1.00 34.45 C +ATOM 557 C ALA A 78 16.105 -21.386 8.072 1.00 35.72 C +ATOM 558 O ALA A 78 16.549 -20.423 7.423 1.00 35.68 O +ATOM 559 CB ALA A 78 17.183 -21.474 10.347 1.00 35.18 C +ATOM 560 N GLU A 80 13.434 -18.882 8.199 1.00 40.53 N +ATOM 561 CA GLU A 80 12.764 -17.905 9.057 1.00 45.50 C +ATOM 562 C GLU A 80 11.489 -17.399 8.390 1.00 46.37 C +ATOM 563 O GLU A 80 11.509 -16.438 7.608 1.00 47.39 O +ATOM 564 CB GLU A 80 13.690 -16.757 9.503 1.00 52.55 C +ATOM 565 CG GLU A 80 14.355 -15.940 8.411 1.00 60.36 C +ATOM 566 CD GLU A 80 14.926 -14.631 8.942 1.00 69.50 C +ATOM 567 OE1 GLU A 80 15.818 -14.663 9.818 1.00 71.02 O +ATOM 568 OE2 GLU A 80 14.481 -13.558 8.484 1.00 74.50 O +ATOM 569 N GLY A 81 10.389 -18.082 8.706 1.00 44.08 N +ATOM 570 CA GLY A 81 9.116 -17.886 8.025 1.00 43.05 C +ATOM 571 C GLY A 81 8.916 -18.967 6.985 1.00 41.31 C +ATOM 572 O GLY A 81 9.845 -19.302 6.244 1.00 41.31 O +ATOM 573 N ARG A 82 7.707 -19.520 6.934 1.00 38.71 N +ATOM 574 CA ARG A 82 7.427 -20.661 6.076 1.00 37.32 C +ATOM 575 C ARG A 82 6.354 -20.333 5.025 1.00 37.98 C +ATOM 576 O ARG A 82 5.936 -19.176 4.882 1.00 38.56 O +ATOM 577 CB ARG A 82 7.007 -21.861 6.939 1.00 37.74 C +ATOM 578 CG ARG A 82 5.527 -21.856 7.320 1.00 38.06 C +ATOM 579 CD ARG A 82 5.238 -22.582 8.611 1.00 36.29 C +ATOM 580 NE ARG A 82 5.750 -23.947 8.632 1.00 36.59 N +ATOM 581 CZ ARG A 82 6.009 -24.608 9.750 1.00 34.65 C +ATOM 582 NH1 ARG A 82 5.811 -24.019 10.935 1.00 32.30 N +ATOM 583 NH2 ARG A 82 6.485 -25.842 9.683 1.00 35.52 N +ATOM 584 N PHE A 83 5.924 -21.363 4.299 1.00 36.91 N +ATOM 585 CA PHE A 83 4.848 -21.250 3.313 1.00 38.45 C +ATOM 586 C PHE A 83 3.680 -22.087 3.804 1.00 35.31 C +ATOM 587 O PHE A 83 3.883 -23.135 4.419 1.00 33.84 O +ATOM 588 CB PHE A 83 5.339 -21.724 1.939 1.00 40.63 C +ATOM 589 CG PHE A 83 6.624 -21.069 1.501 1.00 42.44 C +ATOM 590 CD1 PHE A 83 6.679 -19.698 1.254 1.00 45.84 C +ATOM 591 CD2 PHE A 83 7.785 -21.817 1.354 1.00 44.54 C +ATOM 592 CE1 PHE A 83 7.872 -19.089 0.870 1.00 47.11 C +ATOM 593 CE2 PHE A 83 8.972 -21.214 0.963 1.00 45.13 C +ATOM 594 CZ PHE A 83 9.017 -19.848 0.716 1.00 45.22 C +ATOM 595 N HIS A 84 2.457 -21.614 3.576 1.00 34.92 N +ATOM 596 CA HIS A 84 1.286 -22.328 4.093 1.00 33.46 C +ATOM 597 C HIS A 84 0.324 -22.704 2.998 1.00 30.64 C +ATOM 598 O HIS A 84 0.100 -21.941 2.074 1.00 31.99 O +ATOM 599 CB HIS A 84 0.510 -21.490 5.111 1.00 35.27 C +ATOM 600 CG HIS A 84 1.262 -21.201 6.363 1.00 36.28 C +ATOM 601 ND1 HIS A 84 1.935 -20.018 6.565 1.00 37.66 N +ATOM 602 CD2 HIS A 84 1.444 -21.936 7.484 1.00 37.52 C +ATOM 603 CE1 HIS A 84 2.496 -20.032 7.760 1.00 38.10 C +ATOM 604 NE2 HIS A 84 2.209 -21.182 8.340 1.00 38.58 N +ATOM 605 N TYR A 85 -0.267 -23.880 3.130 1.00 28.36 N +ATOM 606 CA TYR A 85 -1.272 -24.326 2.188 1.00 26.40 C +ATOM 607 C TYR A 85 -2.410 -23.300 2.055 1.00 26.26 C +ATOM 608 O TYR A 85 -2.840 -22.990 0.934 1.00 28.70 O +ATOM 609 CB TYR A 85 -1.778 -25.705 2.608 1.00 27.02 C +ATOM 610 CG TYR A 85 -2.804 -26.283 1.689 1.00 28.57 C +ATOM 611 CD1 TYR A 85 -2.416 -26.876 0.482 1.00 30.66 C +ATOM 612 CD2 TYR A 85 -4.166 -26.243 2.008 1.00 28.08 C +ATOM 613 CE1 TYR A 85 -3.348 -27.416 -0.379 1.00 31.54 C +ATOM 614 CE2 TYR A 85 -5.112 -26.767 1.137 1.00 29.79 C +ATOM 615 CZ TYR A 85 -4.694 -27.360 -0.052 1.00 32.37 C +ATOM 616 OH TYR A 85 -5.609 -27.907 -0.941 1.00 34.83 O +ATOM 617 N TYR A 86 -2.872 -22.739 3.179 1.00 24.15 N +ATOM 618 CA TYR A 86 -3.999 -21.788 3.142 1.00 24.50 C +ATOM 619 C TYR A 86 -3.678 -20.516 2.359 1.00 27.65 C +ATOM 620 O TYR A 86 -4.595 -19.789 2.000 1.00 28.54 O +ATOM 621 CB TYR A 86 -4.522 -21.447 4.549 1.00 24.07 C +ATOM 622 CG TYR A 86 -3.496 -20.754 5.415 1.00 26.43 C +ATOM 623 CD1 TYR A 86 -3.082 -19.438 5.136 1.00 27.55 C +ATOM 624 CD2 TYR A 86 -2.924 -21.407 6.489 1.00 26.51 C +ATOM 625 CE1 TYR A 86 -2.135 -18.802 5.926 1.00 28.88 C +ATOM 626 CE2 TYR A 86 -1.987 -20.772 7.299 1.00 29.10 C +ATOM 627 CZ TYR A 86 -1.588 -19.476 7.007 1.00 30.67 C +ATOM 628 OH TYR A 86 -0.631 -18.864 7.790 1.00 31.40 O +ATOM 629 N GLU A 87 -2.386 -20.245 2.121 1.00 29.15 N +ATOM 630 CA GLU A 87 -1.932 -19.096 1.312 1.00 32.45 C +ATOM 631 C GLU A 87 -2.202 -19.238 -0.182 1.00 31.27 C +ATOM 632 O GLU A 87 -2.221 -18.244 -0.913 1.00 30.79 O +ATOM 633 CB GLU A 87 -0.427 -18.873 1.484 1.00 36.01 C +ATOM 634 CG GLU A 87 -0.007 -18.123 2.743 1.00 40.40 C +ATOM 635 CD GLU A 87 1.510 -18.095 2.928 1.00 42.76 C +ATOM 636 OE1 GLU A 87 2.125 -19.180 3.047 1.00 43.57 O +ATOM 637 OE2 GLU A 87 2.091 -16.989 2.961 1.00 43.51 O +ATOM 638 N GLY A 88 -2.383 -20.473 -0.636 1.00 31.32 N +ATOM 639 CA GLY A 88 -2.509 -20.770 -2.057 1.00 32.77 C +ATOM 640 C GLY A 88 -1.308 -21.512 -2.635 1.00 35.23 C +ATOM 641 O GLY A 88 -1.262 -21.760 -3.831 1.00 35.14 O +ATOM 642 N TYR A 89 -0.332 -21.870 -1.798 1.00 36.54 N +ATOM 643 CA TYR A 89 0.781 -22.722 -2.253 1.00 36.26 C +ATOM 644 C TYR A 89 0.376 -24.196 -2.321 1.00 35.24 C +ATOM 645 O TYR A 89 -0.362 -24.679 -1.458 1.00 34.63 O +ATOM 646 CB TYR A 89 2.008 -22.552 -1.353 1.00 36.18 C +ATOM 647 CG TYR A 89 2.506 -21.145 -1.337 1.00 38.63 C +ATOM 648 CD1 TYR A 89 3.102 -20.592 -2.471 1.00 43.60 C +ATOM 649 CD2 TYR A 89 2.378 -20.349 -0.207 1.00 38.25 C +ATOM 650 CE1 TYR A 89 3.560 -19.291 -2.474 1.00 44.62 C +ATOM 651 CE2 TYR A 89 2.827 -19.037 -0.208 1.00 41.32 C +ATOM 652 CZ TYR A 89 3.416 -18.520 -1.350 1.00 43.95 C +ATOM 653 OH TYR A 89 3.868 -17.222 -1.388 1.00 45.03 O +ATOM 654 N SER A 90 0.848 -24.905 -3.349 1.00 34.38 N +ATOM 655 CA SER A 90 0.677 -26.353 -3.388 1.00 33.49 C +ATOM 656 C SER A 90 1.586 -26.961 -2.329 1.00 31.71 C +ATOM 657 O SER A 90 2.531 -26.324 -1.861 1.00 31.08 O +ATOM 658 CB SER A 90 0.993 -26.922 -4.777 1.00 32.93 C +ATOM 659 OG SER A 90 2.392 -26.922 -5.007 1.00 33.56 O +ATOM 660 N LEU A 91 1.302 -28.189 -1.925 1.00 32.29 N +ATOM 661 CA LEU A 91 2.173 -28.833 -0.943 1.00 30.19 C +ATOM 662 C LEU A 91 3.544 -29.186 -1.506 1.00 29.66 C +ATOM 663 O LEU A 91 4.509 -29.253 -0.763 1.00 27.89 O +ATOM 664 CB LEU A 91 1.486 -30.027 -0.304 1.00 30.10 C +ATOM 665 CG LEU A 91 0.304 -29.706 0.627 1.00 27.86 C +ATOM 666 CD1 LEU A 91 -0.060 -30.964 1.394 1.00 24.66 C +ATOM 667 CD2 LEU A 91 0.670 -28.598 1.601 1.00 27.12 C +ATOM 668 N GLU A 92 3.644 -29.368 -2.825 1.00 31.78 N +ATOM 669 CA GLU A 92 4.968 -29.424 -3.490 1.00 31.58 C +ATOM 670 C GLU A 92 5.770 -28.161 -3.244 1.00 30.03 C +ATOM 671 O GLU A 92 6.948 -28.233 -2.910 1.00 29.64 O +ATOM 672 CB GLU A 92 4.845 -29.677 -5.004 1.00 33.25 C +ATOM 673 CG GLU A 92 3.900 -30.810 -5.353 1.00 38.41 C +ATOM 674 CD GLU A 92 2.447 -30.370 -5.347 1.00 45.90 C +ATOM 675 OE1 GLU A 92 1.715 -30.736 -4.402 1.00 47.52 O +ATOM 676 OE2 GLU A 92 2.045 -29.635 -6.278 1.00 50.95 O +ATOM 677 N GLN A 93 5.135 -26.997 -3.404 1.00 30.61 N +ATOM 678 CA GLN A 93 5.789 -25.719 -3.103 1.00 31.78 C +ATOM 679 C GLN A 93 6.122 -25.592 -1.620 1.00 30.79 C +ATOM 680 O GLN A 93 7.244 -25.227 -1.265 1.00 31.78 O +ATOM 681 CB GLN A 93 4.908 -24.551 -3.529 1.00 36.49 C +ATOM 682 CG GLN A 93 4.856 -24.309 -5.039 1.00 41.20 C +ATOM 683 CD GLN A 93 3.762 -23.333 -5.433 1.00 44.39 C +ATOM 684 OE1 GLN A 93 2.574 -23.617 -5.263 1.00 46.03 O +ATOM 685 NE2 GLN A 93 4.159 -22.179 -5.975 1.00 44.01 N +ATOM 686 N VAL A 94 5.156 -25.911 -0.760 1.00 29.38 N +ATOM 687 CA VAL A 94 5.371 -25.860 0.695 1.00 30.67 C +ATOM 688 C VAL A 94 6.607 -26.659 1.139 1.00 29.49 C +ATOM 689 O VAL A 94 7.393 -26.196 1.968 1.00 31.66 O +ATOM 690 CB VAL A 94 4.117 -26.324 1.485 1.00 31.58 C +ATOM 691 CG1 VAL A 94 4.453 -26.599 2.954 1.00 29.12 C +ATOM 692 CG2 VAL A 94 2.999 -25.288 1.386 1.00 32.70 C +ATOM 693 N THR A 95 6.782 -27.846 0.566 1.00 30.26 N +ATOM 694 CA THR A 95 7.746 -28.832 1.067 1.00 30.01 C +ATOM 695 C THR A 95 9.075 -28.853 0.293 1.00 30.35 C +ATOM 696 O THR A 95 9.989 -29.623 0.618 1.00 29.26 O +ATOM 697 CB THR A 95 7.153 -30.248 1.026 1.00 29.35 C +ATOM 698 OG1 THR A 95 6.799 -30.592 -0.331 1.00 31.53 O +ATOM 699 CG2 THR A 95 5.930 -30.380 1.959 1.00 26.27 C +ATOM 700 N PHE A 96 9.179 -28.012 -0.728 1.00 31.14 N +ATOM 701 CA PHE A 96 10.393 -27.968 -1.545 1.00 31.68 C +ATOM 702 C PHE A 96 11.629 -27.626 -0.677 1.00 32.81 C +ATOM 703 O PHE A 96 12.634 -28.333 -0.746 1.00 35.20 O +ATOM 704 CB PHE A 96 10.205 -27.031 -2.736 1.00 31.14 C +ATOM 705 CG PHE A 96 11.383 -26.975 -3.666 1.00 32.11 C +ATOM 706 CD1 PHE A 96 11.700 -28.064 -4.480 1.00 32.47 C +ATOM 707 CD2 PHE A 96 12.171 -25.823 -3.736 1.00 33.71 C +ATOM 708 CE1 PHE A 96 12.799 -28.013 -5.328 1.00 35.07 C +ATOM 709 CE2 PHE A 96 13.265 -25.761 -4.598 1.00 34.71 C +ATOM 710 CZ PHE A 96 13.574 -26.859 -5.395 1.00 35.71 C +ATOM 711 N PRO A 97 11.536 -26.612 0.208 1.00 30.85 N +ATOM 712 CA PRO A 97 12.714 -26.353 1.066 1.00 31.62 C +ATOM 713 C PRO A 97 13.215 -27.561 1.862 1.00 30.99 C +ATOM 714 O PRO A 97 14.420 -27.683 2.093 1.00 31.33 O +ATOM 715 CB PRO A 97 12.233 -25.241 2.006 1.00 31.06 C +ATOM 716 CG PRO A 97 11.175 -24.538 1.213 1.00 30.06 C +ATOM 717 CD PRO A 97 10.459 -25.642 0.472 1.00 29.92 C +ATOM 718 N VAL A 98 12.319 -28.465 2.243 1.00 30.11 N +ATOM 719 CA VAL A 98 12.714 -29.704 2.930 1.00 28.61 C +ATOM 720 C VAL A 98 13.595 -30.596 2.042 1.00 28.35 C +ATOM 721 O VAL A 98 14.631 -31.083 2.491 1.00 27.61 O +ATOM 722 CB VAL A 98 11.481 -30.494 3.437 1.00 27.24 C +ATOM 723 CG1 VAL A 98 11.906 -31.792 4.112 1.00 24.60 C +ATOM 724 CG2 VAL A 98 10.665 -29.619 4.377 1.00 27.42 C +ATOM 725 N ARG A 99 13.165 -30.811 0.797 1.00 29.16 N +ATOM 726 CA ARG A 99 13.957 -31.517 -0.217 1.00 30.62 C +ATOM 727 C ARG A 99 15.357 -30.923 -0.372 1.00 30.47 C +ATOM 728 O ARG A 99 16.345 -31.653 -0.543 1.00 30.85 O +ATOM 729 CB ARG A 99 13.254 -31.457 -1.574 1.00 32.31 C +ATOM 730 CG ARG A 99 11.865 -32.100 -1.629 1.00 32.79 C +ATOM 731 CD ARG A 99 11.940 -33.617 -1.619 1.00 32.58 C +ATOM 732 NE ARG A 99 10.624 -34.251 -1.689 1.00 33.87 N +ATOM 733 CZ ARG A 99 10.422 -35.551 -1.512 1.00 32.81 C +ATOM 734 NH1 ARG A 99 11.455 -36.341 -1.265 1.00 31.04 N +ATOM 735 NH2 ARG A 99 9.192 -36.061 -1.577 1.00 33.12 N +ATOM 736 N VAL A 100 15.414 -29.597 -0.318 1.00 29.91 N +ATOM 737 CA VAL A 100 16.643 -28.829 -0.490 1.00 31.95 C +ATOM 738 C VAL A 100 17.551 -29.051 0.735 1.00 32.35 C +ATOM 739 O VAL A 100 18.746 -29.300 0.586 1.00 31.70 O +ATOM 740 CB VAL A 100 16.314 -27.340 -0.782 1.00 32.32 C +ATOM 741 CG1 VAL A 100 17.560 -26.465 -0.807 1.00 32.89 C +ATOM 742 CG2 VAL A 100 15.596 -27.223 -2.129 1.00 32.75 C +ATOM 743 N LYS A 102 17.538 -31.717 2.666 1.00 35.60 N +ATOM 744 CA LYS A 102 18.045 -33.079 2.443 1.00 35.40 C +ATOM 745 C LYS A 102 19.241 -33.116 1.488 1.00 36.11 C +ATOM 746 O LYS A 102 20.251 -33.800 1.760 1.00 34.64 O +ATOM 747 CB LYS A 102 16.927 -33.982 1.912 1.00 35.55 C +ATOM 748 CG LYS A 102 17.378 -35.337 1.374 1.00 36.87 C +ATOM 749 CD LYS A 102 18.024 -36.176 2.452 1.00 38.59 C +ATOM 750 CE LYS A 102 18.448 -37.535 1.943 1.00 42.09 C +ATOM 751 NZ LYS A 102 18.657 -38.417 3.129 1.00 43.02 N +ATOM 752 N ALA A 103 19.117 -32.383 0.374 1.00 37.17 N +ATOM 753 CA ALA A 103 20.154 -32.317 -0.664 1.00 36.14 C +ATOM 754 C ALA A 103 21.429 -31.663 -0.164 1.00 36.78 C +ATOM 755 O ALA A 103 22.522 -32.002 -0.609 1.00 38.29 O +ATOM 756 CB ALA A 103 19.637 -31.564 -1.879 1.00 34.21 C +ATOM 757 N GLY A 105 22.376 -31.941 2.808 1.00 37.67 N +ATOM 758 CA GLY A 105 22.959 -32.995 3.621 1.00 36.32 C +ATOM 759 C GLY A 105 22.550 -32.973 5.083 1.00 34.65 C +ATOM 760 O GLY A 105 23.202 -33.611 5.909 1.00 31.76 O +ATOM 761 N VAL A 106 21.477 -32.250 5.409 1.00 33.01 N +ATOM 762 CA VAL A 106 21.006 -32.244 6.785 1.00 32.87 C +ATOM 763 C VAL A 106 20.534 -33.658 7.152 1.00 32.45 C +ATOM 764 O VAL A 106 20.050 -34.409 6.307 1.00 32.37 O +ATOM 765 CB VAL A 106 19.916 -31.169 7.061 1.00 33.31 C +ATOM 766 CG1 VAL A 106 20.206 -29.862 6.322 1.00 32.85 C +ATOM 767 CG2 VAL A 106 18.531 -31.667 6.704 1.00 31.76 C +ATOM 768 N LYS A 107 20.711 -34.034 8.407 1.00 33.53 N +ATOM 769 CA LYS A 107 20.275 -35.359 8.855 1.00 33.79 C +ATOM 770 C LYS A 107 18.995 -35.261 9.668 1.00 32.18 C +ATOM 771 O LYS A 107 18.252 -36.248 9.832 1.00 31.52 O +ATOM 772 CB LYS A 107 21.377 -36.009 9.681 1.00 35.77 C +ATOM 773 CG LYS A 107 22.567 -36.472 8.849 1.00 40.45 C +ATOM 774 CD LYS A 107 23.868 -36.419 9.639 1.00 46.79 C +ATOM 775 CE LYS A 107 23.991 -37.543 10.662 1.00 49.37 C +ATOM 776 NZ LYS A 107 25.398 -37.673 11.156 1.00 52.65 N +ATOM 777 N THR A 108 18.753 -34.066 10.193 1.00 31.37 N +ATOM 778 CA THR A 108 17.649 -33.849 11.124 1.00 29.64 C +ATOM 779 C THR A 108 16.907 -32.575 10.734 1.00 27.66 C +ATOM 780 O THR A 108 17.528 -31.554 10.402 1.00 25.19 O +ATOM 781 CB THR A 108 18.166 -33.795 12.593 1.00 28.97 C +ATOM 782 OG1 THR A 108 18.456 -35.124 13.061 1.00 28.42 O +ATOM 783 CG2 THR A 108 17.158 -33.161 13.523 1.00 29.36 C +ATOM 784 N LEU A 109 15.574 -32.652 10.739 1.00 27.81 N +ATOM 785 CA LEU A 109 14.729 -31.474 10.552 1.00 26.95 C +ATOM 786 C LEU A 109 14.108 -31.123 11.889 1.00 27.07 C +ATOM 787 O LEU A 109 13.446 -31.963 12.511 1.00 25.16 O +ATOM 788 CB LEU A 109 13.612 -31.738 9.534 1.00 27.28 C +ATOM 789 CG LEU A 109 12.642 -30.564 9.310 1.00 28.18 C +ATOM 790 CD1 LEU A 109 13.337 -29.363 8.668 1.00 30.29 C +ATOM 791 CD2 LEU A 109 11.458 -30.984 8.456 1.00 28.04 C +ATOM 792 N LEU A 110 14.321 -29.892 12.339 1.00 26.26 N +ATOM 793 CA LEU A 110 13.582 -29.400 13.474 1.00 26.13 C +ATOM 794 C LEU A 110 12.517 -28.444 12.948 1.00 27.53 C +ATOM 795 O LEU A 110 12.817 -27.523 12.152 1.00 26.69 O +ATOM 796 CB LEU A 110 14.523 -28.716 14.477 1.00 26.83 C +ATOM 797 CG LEU A 110 14.103 -28.452 15.910 1.00 28.02 C +ATOM 798 CD1 LEU A 110 15.332 -28.189 16.766 1.00 29.99 C +ATOM 799 CD2 LEU A 110 13.179 -27.253 15.976 1.00 29.11 C +ATOM 800 N VAL A 111 11.275 -28.674 13.377 1.00 27.47 N +ATOM 801 CA VAL A 111 10.134 -27.885 12.911 1.00 26.77 C +ATOM 802 C VAL A 111 9.449 -27.343 14.142 1.00 27.45 C +ATOM 803 O VAL A 111 9.301 -28.050 15.154 1.00 27.37 O +ATOM 804 CB VAL A 111 9.113 -28.692 12.038 1.00 28.70 C +ATOM 805 CG1 VAL A 111 9.702 -29.055 10.699 1.00 29.32 C +ATOM 806 CG2 VAL A 111 8.630 -29.957 12.720 1.00 28.86 C +ATOM 807 N THR A 112 9.069 -26.073 14.078 1.00 28.02 N +ATOM 808 CA THR A 112 8.268 -25.481 15.120 1.00 28.32 C +ATOM 809 C THR A 112 7.036 -24.868 14.473 1.00 27.15 C +ATOM 810 O THR A 112 7.057 -24.512 13.295 1.00 26.80 O +ATOM 811 CB THR A 112 9.000 -24.349 15.862 1.00 31.70 C +ATOM 812 OG1 THR A 112 9.220 -23.266 14.941 1.00 34.88 O +ATOM 813 CG2 THR A 112 10.345 -24.830 16.470 1.00 31.70 C +ATOM 814 N ASN A 113 5.985 -24.711 15.270 1.00 24.82 N +ATOM 815 CA ASN A 113 4.775 -24.026 14.808 1.00 25.02 C +ATOM 816 C ASN A 113 4.017 -23.429 15.983 1.00 24.56 C +ATOM 817 O ASN A 113 4.348 -23.689 17.154 1.00 24.48 O +ATOM 818 CB ASN A 113 3.876 -24.999 14.031 1.00 23.02 C +ATOM 819 CG ASN A 113 3.408 -26.166 14.888 1.00 23.23 C +ATOM 820 OD1 ASN A 113 2.837 -25.980 15.975 1.00 22.94 O +ATOM 821 ND2 ASN A 113 3.678 -27.374 14.426 1.00 24.11 N +ATOM 822 N ALA A 114 3.016 -22.617 15.666 1.00 24.39 N +ATOM 823 CA ALA A 114 2.072 -22.137 16.658 1.00 24.76 C +ATOM 824 C ALA A 114 0.811 -23.005 16.522 1.00 24.72 C +ATOM 825 O ALA A 114 0.389 -23.341 15.400 1.00 27.05 O +ATOM 826 CB ALA A 114 1.749 -20.670 16.428 1.00 24.74 C +ATOM 827 N ALA A 115 0.212 -23.365 17.652 1.00 21.94 N +ATOM 828 CA ALA A 115 -0.929 -24.267 17.617 1.00 22.09 C +ATOM 829 C ALA A 115 -2.012 -23.922 18.647 1.00 20.42 C +ATOM 830 O ALA A 115 -1.744 -23.277 19.659 1.00 22.62 O +ATOM 831 CB ALA A 115 -0.450 -25.733 17.752 1.00 20.46 C +ATOM 832 N GLY A 116 -3.249 -24.344 18.387 1.00 19.39 N +ATOM 833 CA GLY A 116 -4.312 -24.208 19.396 1.00 18.43 C +ATOM 834 C GLY A 116 -4.234 -25.392 20.338 1.00 18.77 C +ATOM 835 O GLY A 116 -3.953 -26.494 19.907 1.00 18.57 O +ATOM 836 N GLY A 117 -4.420 -25.161 21.632 1.00 20.05 N +ATOM 837 CA GLY A 117 -4.350 -26.231 22.636 1.00 20.47 C +ATOM 838 C GLY A 117 -5.722 -26.854 22.828 1.00 20.98 C +ATOM 839 O GLY A 117 -6.635 -26.202 23.363 1.00 22.04 O +ATOM 840 N ILE A 118 -5.884 -28.100 22.364 1.00 18.60 N +ATOM 841 CA ILE A 118 -7.146 -28.818 22.537 1.00 18.42 C +ATOM 842 C ILE A 118 -7.192 -29.580 23.863 1.00 20.98 C +ATOM 843 O ILE A 118 -8.227 -29.611 24.545 1.00 23.09 O +ATOM 844 CB ILE A 118 -7.372 -29.788 21.370 1.00 18.29 C +ATOM 845 CG1 ILE A 118 -7.422 -28.995 20.064 1.00 18.64 C +ATOM 846 CG2 ILE A 118 -8.633 -30.622 21.581 1.00 18.25 C +ATOM 847 CD1 ILE A 118 -7.697 -29.865 18.854 1.00 20.46 C +ATOM 848 N ASN A 119 -6.082 -30.226 24.220 1.00 21.29 N +ATOM 849 CA ASN A 119 -5.993 -30.943 25.490 1.00 21.78 C +ATOM 850 C ASN A 119 -6.126 -29.950 26.661 1.00 23.36 C +ATOM 851 O ASN A 119 -5.310 -29.018 26.762 1.00 23.23 O +ATOM 852 CB ASN A 119 -4.648 -31.668 25.585 1.00 20.56 C +ATOM 853 CG ASN A 119 -4.614 -32.673 26.725 1.00 23.69 C +ATOM 854 OD1 ASN A 119 -5.099 -32.400 27.820 1.00 24.39 O +ATOM 855 ND2 ASN A 119 -4.086 -33.857 26.457 1.00 25.76 N +ATOM 856 N PRO A 120 -7.142 -30.143 27.550 1.00 25.49 N +ATOM 857 CA PRO A 120 -7.387 -29.184 28.661 1.00 26.29 C +ATOM 858 C PRO A 120 -6.249 -29.128 29.692 1.00 27.00 C +ATOM 859 O PRO A 120 -6.187 -28.181 30.484 1.00 24.47 O +ATOM 860 CB PRO A 120 -8.665 -29.708 29.347 1.00 26.83 C +ATOM 861 CG PRO A 120 -9.217 -30.760 28.454 1.00 28.67 C +ATOM 862 CD PRO A 120 -8.128 -31.244 27.537 1.00 25.97 C +ATOM 863 N GLN A 121 -5.374 -30.139 29.687 1.00 27.51 N +ATOM 864 CA GLN A 121 -4.199 -30.159 30.593 1.00 30.65 C +ATOM 865 C GLN A 121 -3.100 -29.172 30.146 1.00 30.01 C +ATOM 866 O GLN A 121 -2.139 -28.924 30.890 1.00 32.03 O +ATOM 867 CB GLN A 121 -3.621 -31.581 30.721 1.00 33.40 C +ATOM 868 CG GLN A 121 -4.637 -32.709 30.995 1.00 37.11 C +ATOM 869 CD GLN A 121 -5.065 -32.799 32.455 1.00 38.35 C +ATOM 870 OE1 GLN A 121 -4.666 -31.967 33.279 1.00 41.42 O +ATOM 871 NE2 GLN A 121 -5.899 -33.813 32.786 1.00 36.27 N +ATOM 872 N LEU A 122 -3.237 -28.605 28.941 1.00 28.99 N +ATOM 873 CA LEU A 122 -2.301 -27.575 28.429 1.00 27.78 C +ATOM 874 C LEU A 122 -2.488 -26.177 29.031 1.00 30.16 C +ATOM 875 O LEU A 122 -3.590 -25.800 29.454 1.00 30.31 O +ATOM 876 CB LEU A 122 -2.371 -27.464 26.902 1.00 23.85 C +ATOM 877 CG LEU A 122 -1.867 -28.718 26.190 1.00 22.14 C +ATOM 878 CD1 LEU A 122 -2.359 -28.739 24.729 1.00 20.84 C +ATOM 879 CD2 LEU A 122 -0.333 -28.821 26.336 1.00 20.86 C +ATOM 880 N ASP A 123 -1.387 -25.429 29.068 1.00 28.94 N +ATOM 881 CA ASP A 123 -1.381 -24.032 29.466 1.00 30.25 C +ATOM 882 C ASP A 123 -0.927 -23.171 28.297 1.00 27.92 C +ATOM 883 O ASP A 123 -0.155 -23.624 27.438 1.00 25.53 O +ATOM 884 CB ASP A 123 -0.422 -23.826 30.642 1.00 34.52 C +ATOM 885 CG ASP A 123 -0.843 -24.588 31.873 1.00 39.41 C +ATOM 886 OD1 ASP A 123 -2.022 -25.004 31.942 1.00 40.72 O +ATOM 887 OD2 ASP A 123 0.003 -24.773 32.776 1.00 39.17 O +ATOM 888 N LEU A 124 -1.383 -21.919 28.304 1.00 28.42 N +ATOM 889 CA LEU A 124 -1.007 -20.914 27.330 1.00 30.13 C +ATOM 890 C LEU A 124 0.509 -20.726 27.321 1.00 30.33 C +ATOM 891 O LEU A 124 1.121 -20.558 28.382 1.00 30.85 O +ATOM 892 CB LEU A 124 -1.694 -19.579 27.681 1.00 31.39 C +ATOM 893 CG LEU A 124 -2.250 -18.678 26.569 1.00 34.13 C +ATOM 894 CD1 LEU A 124 -3.117 -19.458 25.601 1.00 32.40 C +ATOM 895 CD2 LEU A 124 -3.072 -17.528 27.147 1.00 34.00 C +ATOM 896 N SER A 125 1.096 -20.768 26.127 1.00 29.96 N +ATOM 897 CA SER A 125 2.548 -20.636 25.915 1.00 31.96 C +ATOM 898 C SER A 125 3.386 -21.865 26.312 1.00 29.69 C +ATOM 899 O SER A 125 4.624 -21.788 26.367 1.00 30.98 O +ATOM 900 CB SER A 125 3.117 -19.337 26.520 1.00 36.49 C +ATOM 901 OG SER A 125 3.596 -19.539 27.841 1.00 42.14 O +ATOM 902 N ASP A 126 2.728 -22.988 26.565 1.00 25.63 N +ATOM 903 CA ASP A 126 3.426 -24.272 26.668 1.00 27.33 C +ATOM 904 C ASP A 126 4.130 -24.602 25.365 1.00 26.80 C +ATOM 905 O ASP A 126 3.641 -24.292 24.290 1.00 25.53 O +ATOM 906 CB ASP A 126 2.452 -25.436 26.920 1.00 28.55 C +ATOM 907 CG ASP A 126 2.172 -25.677 28.378 1.00 30.91 C +ATOM 908 OD1 ASP A 126 2.878 -25.111 29.248 1.00 33.69 O +ATOM 909 OD2 ASP A 126 1.234 -26.462 28.644 1.00 31.21 O +ATOM 910 N VAL A 127 5.268 -25.270 25.483 1.00 26.41 N +ATOM 911 CA VAL A 127 5.931 -25.849 24.342 1.00 26.65 C +ATOM 912 C VAL A 127 5.708 -27.332 24.417 1.00 26.83 C +ATOM 913 O VAL A 127 6.168 -28.002 25.335 1.00 28.38 O +ATOM 914 CB VAL A 127 7.451 -25.571 24.358 1.00 26.29 C +ATOM 915 CG1 VAL A 127 8.146 -26.459 23.349 1.00 25.62 C +ATOM 916 CG2 VAL A 127 7.718 -24.110 24.059 1.00 26.72 C +ATOM 917 N LEU A 128 5.030 -27.858 23.415 1.00 25.04 N +ATOM 918 CA LEU A 128 4.772 -29.263 23.393 1.00 23.82 C +ATOM 919 C LEU A 128 5.726 -29.950 22.429 1.00 23.32 C +ATOM 920 O LEU A 128 5.988 -29.470 21.301 1.00 23.07 O +ATOM 921 CB LEU A 128 3.306 -29.484 23.024 1.00 23.52 C +ATOM 922 CG LEU A 128 2.751 -30.886 22.840 1.00 24.92 C +ATOM 923 CD1 LEU A 128 1.396 -30.950 23.543 1.00 24.38 C +ATOM 924 CD2 LEU A 128 2.644 -31.207 21.350 1.00 25.37 C +ATOM 925 N ILE A 129 6.256 -31.072 22.892 1.00 22.79 N +ATOM 926 CA ILE A 129 7.009 -31.965 22.040 1.00 23.51 C +ATOM 927 C ILE A 129 6.045 -32.808 21.193 1.00 22.97 C +ATOM 928 O ILE A 129 5.254 -33.598 21.732 1.00 23.44 O +ATOM 929 CB ILE A 129 7.879 -32.907 22.878 1.00 25.10 C +ATOM 930 CG1 ILE A 129 8.928 -32.096 23.651 1.00 25.96 C +ATOM 931 CG2 ILE A 129 8.533 -33.953 21.981 1.00 25.58 C +ATOM 932 CD1 ILE A 129 9.535 -32.877 24.816 1.00 25.98 C +ATOM 933 N ILE A 130 6.119 -32.655 19.877 1.00 22.48 N +ATOM 934 CA ILE A 130 5.227 -33.431 18.996 1.00 22.07 C +ATOM 935 C ILE A 130 5.639 -34.900 18.932 1.00 21.95 C +ATOM 936 O ILE A 130 6.735 -35.229 18.485 1.00 24.14 O +ATOM 937 CB ILE A 130 5.080 -32.824 17.592 1.00 22.50 C +ATOM 938 CG1 ILE A 130 4.639 -31.357 17.680 1.00 23.17 C +ATOM 939 CG2 ILE A 130 4.099 -33.664 16.768 1.00 22.01 C +ATOM 940 CD1 ILE A 130 4.564 -30.618 16.358 1.00 22.54 C +ATOM 941 N GLU A 131 4.739 -35.782 19.358 1.00 20.07 N +ATOM 942 CA GLU A 131 5.053 -37.200 19.510 1.00 20.60 C +ATOM 943 C GLU A 131 4.497 -37.962 18.320 1.00 19.22 C +ATOM 944 O GLU A 131 4.969 -39.052 17.984 1.00 18.87 O +ATOM 945 CB GLU A 131 4.419 -37.733 20.801 1.00 22.02 C +ATOM 946 CG GLU A 131 4.762 -39.170 21.111 1.00 25.90 C +ATOM 947 CD GLU A 131 3.702 -40.158 20.634 1.00 26.66 C +ATOM 948 OE1 GLU A 131 2.537 -39.769 20.417 1.00 26.02 O +ATOM 949 OE2 GLU A 131 4.042 -41.343 20.502 1.00 30.04 O +ATOM 950 N ASP A 132 3.475 -37.383 17.705 1.00 19.62 N +ATOM 951 CA ASP A 132 2.777 -38.026 16.581 1.00 19.40 C +ATOM 952 C ASP A 132 1.857 -36.994 15.961 1.00 19.59 C +ATOM 953 O ASP A 132 1.655 -35.904 16.527 1.00 17.76 O +ATOM 954 CB ASP A 132 1.949 -39.205 17.102 1.00 19.48 C +ATOM 955 CG ASP A 132 1.715 -40.293 16.024 1.00 20.96 C +ATOM 956 OD1 ASP A 132 2.228 -40.143 14.879 1.00 20.70 O +ATOM 957 OD2 ASP A 132 1.059 -41.307 16.362 1.00 21.00 O +ATOM 958 N HIS A 133 1.269 -37.319 14.810 1.00 19.87 N +ATOM 959 CA HIS A 133 0.335 -36.390 14.191 1.00 20.14 C +ATOM 960 C HIS A 133 -0.837 -37.086 13.476 1.00 19.13 C +ATOM 961 O HIS A 133 -0.801 -38.313 13.221 1.00 19.03 O +ATOM 962 CB HIS A 133 1.066 -35.407 13.263 1.00 19.69 C +ATOM 963 CG HIS A 133 1.530 -35.992 11.969 1.00 20.48 C +ATOM 964 ND1 HIS A 133 2.824 -35.830 11.519 1.00 20.86 N +ATOM 965 CD2 HIS A 133 0.861 -36.645 10.979 1.00 19.67 C +ATOM 966 CE1 HIS A 133 2.941 -36.414 10.336 1.00 21.04 C +ATOM 967 NE2 HIS A 133 1.769 -36.917 9.988 1.00 19.29 N +ATOM 968 N ILE A 134 -1.865 -36.290 13.191 1.00 18.66 N +ATOM 969 CA ILE A 134 -3.009 -36.702 12.365 1.00 18.02 C +ATOM 970 C ILE A 134 -3.059 -35.708 11.200 1.00 17.92 C +ATOM 971 O ILE A 134 -3.057 -34.483 11.413 1.00 17.42 O +ATOM 972 CB ILE A 134 -4.335 -36.695 13.205 1.00 17.49 C +ATOM 973 CG1 ILE A 134 -4.288 -37.746 14.341 1.00 17.97 C +ATOM 974 CG2 ILE A 134 -5.570 -36.970 12.329 1.00 17.96 C +ATOM 975 CD1 ILE A 134 -5.272 -37.554 15.492 1.00 16.17 C +ATOM 976 N ASN A 135 -3.073 -36.197 9.965 1.00 18.83 N +ATOM 977 CA ASN A 135 -3.138 -35.283 8.810 1.00 18.87 C +ATOM 978 C ASN A 135 -4.572 -35.125 8.313 1.00 20.01 C +ATOM 979 O ASN A 135 -5.113 -36.055 7.742 1.00 18.08 O +ATOM 980 CB ASN A 135 -2.249 -35.810 7.689 1.00 21.64 C +ATOM 981 CG ASN A 135 -2.187 -34.879 6.492 1.00 23.70 C +ATOM 982 OD1 ASN A 135 -2.613 -33.727 6.559 1.00 23.31 O +ATOM 983 ND2 ASN A 135 -1.643 -35.382 5.386 1.00 25.04 N +ATOM 984 N LEU A 136 -5.192 -33.960 8.545 1.00 19.35 N +ATOM 985 CA LEU A 136 -6.559 -33.716 8.015 1.00 20.60 C +ATOM 986 C LEU A 136 -6.600 -32.665 6.927 1.00 21.86 C +ATOM 987 O LEU A 136 -7.642 -32.018 6.698 1.00 21.82 O +ATOM 988 CB LEU A 136 -7.507 -33.280 9.117 1.00 20.60 C +ATOM 989 CG LEU A 136 -7.675 -34.252 10.280 1.00 21.01 C +ATOM 990 CD1 LEU A 136 -8.729 -33.623 11.163 1.00 21.53 C +ATOM 991 CD2 LEU A 136 -8.100 -35.624 9.761 1.00 20.85 C +ATOM 992 N PRO A 138 -6.522 -31.545 2.989 1.00 25.61 N +ATOM 993 CA PRO A 138 -7.169 -32.195 1.864 1.00 28.13 C +ATOM 994 C PRO A 138 -6.220 -32.517 0.692 1.00 28.44 C +ATOM 995 O PRO A 138 -6.686 -32.953 -0.354 1.00 30.07 O +ATOM 996 CB PRO A 138 -8.173 -31.134 1.419 1.00 27.84 C +ATOM 997 CG PRO A 138 -7.461 -29.868 1.641 1.00 27.73 C +ATOM 998 CD PRO A 138 -6.726 -30.086 2.950 1.00 27.36 C +ATOM 999 N GLU A 139 -4.920 -32.269 0.859 1.00 28.20 N +ATOM 1000 CA GLU A 139 -3.891 -32.662 -0.116 1.00 29.74 C +ATOM 1001 C GLU A 139 -2.675 -33.319 0.588 1.00 28.45 C +ATOM 1002 O GLU A 139 -2.483 -33.150 1.817 1.00 26.44 O +ATOM 1003 CB GLU A 139 -3.484 -31.477 -1.031 1.00 32.47 C +ATOM 1004 CG GLU A 139 -4.649 -30.983 -1.896 1.00 38.40 C +ATOM 1005 CD GLU A 139 -4.308 -29.931 -2.961 1.00 42.84 C +ATOM 1006 OE1 GLU A 139 -5.226 -29.153 -3.308 1.00 42.64 O +ATOM 1007 OE2 GLU A 139 -3.165 -29.881 -3.476 1.00 43.52 O +ATOM 1008 N ASN A 140 -1.912 -34.100 -0.183 1.00 26.06 N +ATOM 1009 CA ASN A 140 -0.710 -34.813 0.301 1.00 27.98 C +ATOM 1010 C ASN A 140 0.495 -34.465 -0.570 1.00 26.48 C +ATOM 1011 O ASN A 140 0.383 -34.595 -1.776 1.00 25.12 O +ATOM 1012 CB ASN A 140 -0.956 -36.327 0.241 1.00 29.56 C +ATOM 1013 CG ASN A 140 0.107 -37.133 0.977 1.00 30.58 C +ATOM 1014 OD1 ASN A 140 1.291 -37.105 0.615 1.00 29.09 O +ATOM 1015 ND2 ASN A 140 -0.319 -37.873 2.020 1.00 28.65 N +ATOM 1016 N PRO A 141 1.665 -34.077 0.020 1.00 24.81 N +ATOM 1017 CA PRO A 141 2.814 -33.668 -0.827 1.00 24.70 C +ATOM 1018 C PRO A 141 3.463 -34.788 -1.659 1.00 25.44 C +ATOM 1019 O PRO A 141 4.183 -34.500 -2.620 1.00 25.21 O +ATOM 1020 CB PRO A 141 3.835 -33.134 0.194 1.00 25.08 C +ATOM 1021 CG PRO A 141 3.518 -33.884 1.441 1.00 25.00 C +ATOM 1022 CD PRO A 141 2.017 -34.032 1.450 1.00 23.96 C +ATOM 1023 N LEU A 142 3.197 -36.040 -1.300 1.00 26.12 N +ATOM 1024 CA LEU A 142 3.732 -37.195 -2.033 1.00 27.70 C +ATOM 1025 C LEU A 142 2.863 -37.717 -3.174 1.00 28.26 C +ATOM 1026 O LEU A 142 3.292 -38.600 -3.917 1.00 29.14 O +ATOM 1027 CB LEU A 142 3.975 -38.342 -1.063 1.00 26.72 C +ATOM 1028 CG LEU A 142 4.918 -38.013 0.096 1.00 26.46 C +ATOM 1029 CD1 LEU A 142 4.876 -39.158 1.091 1.00 25.04 C +ATOM 1030 CD2 LEU A 142 6.336 -37.753 -0.412 1.00 28.02 C +ATOM 1031 N ARG A 143 1.635 -37.223 -3.296 1.00 27.88 N +ATOM 1032 CA ARG A 143 0.808 -37.585 -4.452 1.00 29.33 C +ATOM 1033 C ARG A 143 1.525 -37.190 -5.736 1.00 31.42 C +ATOM 1034 O ARG A 143 2.058 -36.087 -5.850 1.00 32.55 O +ATOM 1035 CB ARG A 143 -0.567 -36.912 -4.393 1.00 30.11 C +ATOM 1036 CG ARG A 143 -1.399 -37.101 -5.656 1.00 30.77 C +ATOM 1037 CD ARG A 143 -2.848 -36.637 -5.464 1.00 30.88 C +ATOM 1038 NE ARG A 143 -3.702 -37.099 -6.562 1.00 32.53 N +ATOM 1039 CZ ARG A 143 -4.340 -36.300 -7.412 1.00 35.66 C +ATOM 1040 NH1 ARG A 143 -4.251 -34.983 -7.287 1.00 36.40 N +ATOM 1041 NH2 ARG A 143 -5.081 -36.821 -8.387 1.00 35.15 N +ATOM 1042 N GLY A 144 1.537 -38.099 -6.700 1.00 29.80 N +ATOM 1043 CA GLY A 144 2.247 -37.880 -7.935 1.00 30.90 C +ATOM 1044 C GLY A 144 3.190 -39.048 -8.144 1.00 32.57 C +ATOM 1045 O GLY A 144 3.291 -39.919 -7.269 1.00 30.77 O +ATOM 1046 N PRO A 145 3.895 -39.066 -9.299 1.00 33.21 N +ATOM 1047 CA PRO A 145 4.936 -40.055 -9.543 1.00 35.09 C +ATOM 1048 C PRO A 145 5.948 -40.015 -8.397 1.00 37.57 C +ATOM 1049 O PRO A 145 6.193 -38.955 -7.797 1.00 37.90 O +ATOM 1050 CB PRO A 145 5.573 -39.592 -10.873 1.00 36.77 C +ATOM 1051 CG PRO A 145 4.490 -38.818 -11.565 1.00 35.09 C +ATOM 1052 CD PRO A 145 3.729 -38.139 -10.442 1.00 35.42 C +ATOM 1053 N ASN A 146 6.478 -41.178 -8.055 1.00 37.42 N +ATOM 1054 CA ASN A 146 7.497 -41.255 -7.032 1.00 36.68 C +ATOM 1055 C ASN A 146 8.844 -41.564 -7.674 1.00 37.58 C +ATOM 1056 O ASN A 146 8.945 -42.393 -8.581 1.00 38.42 O +ATOM 1057 CB ASN A 146 7.141 -42.305 -5.982 1.00 33.66 C +ATOM 1058 CG ASN A 146 8.126 -42.338 -4.832 1.00 33.01 C +ATOM 1059 OD1 ASN A 146 8.079 -41.482 -3.934 1.00 33.23 O +ATOM 1060 ND2 ASN A 146 8.998 -43.352 -4.822 1.00 31.07 N +ATOM 1061 N ASP A 147 9.876 -40.883 -7.199 1.00 39.05 N +ATOM 1062 CA ASP A 147 11.241 -41.145 -7.646 1.00 40.04 C +ATOM 1063 C ASP A 147 11.952 -41.882 -6.524 1.00 38.97 C +ATOM 1064 O ASP A 147 12.182 -41.315 -5.448 1.00 36.66 O +ATOM 1065 CB ASP A 147 11.944 -39.830 -7.979 1.00 41.11 C +ATOM 1066 CG ASP A 147 13.318 -40.032 -8.636 1.00 44.04 C +ATOM 1067 OD1 ASP A 147 13.844 -41.172 -8.684 1.00 42.64 O +ATOM 1068 OD2 ASP A 147 13.875 -39.021 -9.110 1.00 48.37 O +ATOM 1069 N GLU A 148 12.278 -43.152 -6.758 1.00 41.41 N +ATOM 1070 CA GLU A 148 12.834 -43.984 -5.689 1.00 43.99 C +ATOM 1071 C GLU A 148 14.234 -43.552 -5.264 1.00 43.69 C +ATOM 1072 O GLU A 148 14.700 -43.926 -4.190 1.00 43.22 O +ATOM 1073 CB GLU A 148 12.759 -45.488 -6.010 1.00 50.76 C +ATOM 1074 CG GLU A 148 13.590 -45.967 -7.196 1.00 59.05 C +ATOM 1075 CD GLU A 148 12.859 -45.882 -8.531 1.00 62.76 C +ATOM 1076 OE1 GLU A 148 11.908 -45.071 -8.669 1.00 61.26 O +ATOM 1077 OE2 GLU A 148 13.251 -46.631 -9.455 1.00 66.30 O +ATOM 1078 N GLU A 149 14.880 -42.739 -6.100 1.00 44.84 N +ATOM 1079 CA GLU A 149 16.127 -42.058 -5.735 1.00 46.40 C +ATOM 1080 C GLU A 149 15.875 -40.979 -4.686 1.00 41.95 C +ATOM 1081 O GLU A 149 16.795 -40.576 -3.981 1.00 43.62 O +ATOM 1082 CB GLU A 149 16.812 -41.441 -6.964 1.00 52.54 C +ATOM 1083 CG GLU A 149 17.962 -42.263 -7.521 1.00 59.11 C +ATOM 1084 CD GLU A 149 19.024 -41.405 -8.200 1.00 65.54 C +ATOM 1085 OE1 GLU A 149 18.710 -40.755 -9.228 1.00 67.34 O +ATOM 1086 OE2 GLU A 149 20.181 -41.390 -7.710 1.00 64.45 O +ATOM 1087 N LEU A 150 14.631 -40.512 -4.588 1.00 38.06 N +ATOM 1088 CA LEU A 150 14.242 -39.592 -3.506 1.00 38.10 C +ATOM 1089 C LEU A 150 13.713 -40.260 -2.233 1.00 36.37 C +ATOM 1090 O LEU A 150 14.014 -39.802 -1.145 1.00 35.82 O +ATOM 1091 CB LEU A 150 13.246 -38.533 -3.995 1.00 36.90 C +ATOM 1092 CG LEU A 150 13.751 -37.591 -5.089 1.00 38.24 C +ATOM 1093 CD1 LEU A 150 12.593 -36.738 -5.569 1.00 36.75 C +ATOM 1094 CD2 LEU A 150 14.917 -36.742 -4.604 1.00 40.31 C +ATOM 1095 N GLY A 151 12.905 -41.314 -2.386 1.00 35.64 N +ATOM 1096 CA GLY A 151 12.329 -42.058 -1.254 1.00 35.04 C +ATOM 1097 C GLY A 151 11.339 -43.115 -1.723 1.00 33.02 C +ATOM 1098 O GLY A 151 11.075 -43.213 -2.905 1.00 33.16 O +ATOM 1099 N PRO A 152 10.774 -43.905 -0.790 1.00 31.36 N +ATOM 1100 CA PRO A 152 9.922 -45.007 -1.212 1.00 30.27 C +ATOM 1101 C PRO A 152 8.530 -44.585 -1.674 1.00 29.76 C +ATOM 1102 O PRO A 152 8.068 -43.487 -1.362 1.00 30.17 O +ATOM 1103 CB PRO A 152 9.801 -45.852 0.060 1.00 30.46 C +ATOM 1104 CG PRO A 152 9.964 -44.875 1.174 1.00 30.17 C +ATOM 1105 CD PRO A 152 11.008 -43.916 0.671 1.00 30.28 C +ATOM 1106 N ARG A 153 7.856 -45.480 -2.386 1.00 28.23 N +ATOM 1107 CA ARG A 153 6.512 -45.212 -2.853 1.00 27.69 C +ATOM 1108 C ARG A 153 5.500 -45.072 -1.715 1.00 29.24 C +ATOM 1109 O ARG A 153 4.554 -44.280 -1.827 1.00 30.56 O +ATOM 1110 CB ARG A 153 6.077 -46.270 -3.894 1.00 27.44 C +ATOM 1111 CG ARG A 153 4.606 -46.219 -4.322 1.00 27.79 C +ATOM 1112 CD ARG A 153 4.278 -45.065 -5.277 1.00 28.36 C +ATOM 1113 NE ARG A 153 4.150 -43.771 -4.594 1.00 28.40 N +ATOM 1114 CZ ARG A 153 3.685 -42.669 -5.182 1.00 28.73 C +ATOM 1115 NH1 ARG A 153 3.604 -41.529 -4.515 1.00 27.74 N +ATOM 1116 NH2 ARG A 153 3.293 -42.706 -6.448 1.00 27.19 N +ATOM 1117 N PHE A 154 5.728 -45.796 -0.609 1.00 28.46 N +ATOM 1118 CA PHE A 154 4.763 -45.919 0.479 1.00 27.47 C +ATOM 1119 C PHE A 154 5.484 -45.682 1.832 1.00 26.42 C +ATOM 1120 O PHE A 154 5.758 -46.636 2.552 1.00 27.28 O +ATOM 1121 CB PHE A 154 4.097 -47.324 0.453 1.00 26.88 C +ATOM 1122 CG PHE A 154 3.274 -47.626 -0.804 1.00 27.31 C +ATOM 1123 CD1 PHE A 154 2.053 -46.984 -1.036 1.00 25.51 C +ATOM 1124 CD2 PHE A 154 3.697 -48.599 -1.718 1.00 28.18 C +ATOM 1125 CE1 PHE A 154 1.305 -47.259 -2.170 1.00 26.81 C +ATOM 1126 CE2 PHE A 154 2.948 -48.899 -2.843 1.00 26.97 C +ATOM 1127 CZ PHE A 154 1.750 -48.235 -3.075 1.00 26.51 C +ATOM 1128 N PRO A 155 5.860 -44.425 2.148 1.00 25.44 N +ATOM 1129 CA PRO A 155 6.696 -44.252 3.340 1.00 25.33 C +ATOM 1130 C PRO A 155 5.993 -44.715 4.585 1.00 24.75 C +ATOM 1131 O PRO A 155 4.762 -44.544 4.711 1.00 23.98 O +ATOM 1132 CB PRO A 155 6.940 -42.746 3.409 1.00 24.31 C +ATOM 1133 CG PRO A 155 6.160 -42.146 2.312 1.00 25.83 C +ATOM 1134 CD PRO A 155 5.869 -43.215 1.317 1.00 25.57 C +ATOM 1135 N ASP A 156 6.772 -45.323 5.475 1.00 23.89 N +ATOM 1136 CA ASP A 156 6.277 -45.790 6.745 1.00 25.83 C +ATOM 1137 C ASP A 156 6.240 -44.622 7.725 1.00 25.79 C +ATOM 1138 O ASP A 156 7.136 -43.786 7.725 1.00 25.31 O +ATOM 1139 CB ASP A 156 7.152 -46.918 7.291 1.00 27.94 C +ATOM 1140 CG ASP A 156 6.532 -47.573 8.513 1.00 29.89 C +ATOM 1141 OD1 ASP A 156 5.657 -48.440 8.347 1.00 29.83 O +ATOM 1142 OD2 ASP A 156 6.907 -47.206 9.636 1.00 28.92 O +ATOM 1143 N SER A 158 5.314 -44.996 11.197 1.00 25.04 N +ATOM 1144 CA SER A 158 5.136 -45.545 12.517 1.00 25.12 C +ATOM 1145 C SER A 158 5.913 -44.774 13.597 1.00 25.96 C +ATOM 1146 O SER A 158 5.536 -44.824 14.775 1.00 25.11 O +ATOM 1147 CB SER A 158 5.458 -47.053 12.524 1.00 25.98 C +ATOM 1148 OG SER A 158 6.830 -47.270 12.281 1.00 26.43 O +ATOM 1149 N HIS A 159 6.972 -44.058 13.195 1.00 25.99 N +ATOM 1150 CA HIS A 159 7.667 -43.127 14.104 1.00 28.15 C +ATOM 1151 C HIS A 159 8.202 -41.870 13.401 1.00 26.99 C +ATOM 1152 O HIS A 159 9.431 -41.623 13.380 1.00 25.93 O +ATOM 1153 CB HIS A 159 8.813 -43.823 14.859 1.00 32.57 C +ATOM 1154 CG HIS A 159 8.352 -44.892 15.799 1.00 39.14 C +ATOM 1155 ND1 HIS A 159 7.669 -44.617 16.970 1.00 42.97 N +ATOM 1156 CD2 HIS A 159 8.451 -46.242 15.729 1.00 42.94 C +ATOM 1157 CE1 HIS A 159 7.378 -45.752 17.583 1.00 43.97 C +ATOM 1158 NE2 HIS A 159 7.843 -46.753 16.852 1.00 45.34 N +ATOM 1159 N PRO A 160 7.288 -41.034 12.877 1.00 26.71 N +ATOM 1160 CA PRO A 160 7.708 -39.870 12.116 1.00 25.89 C +ATOM 1161 C PRO A 160 8.565 -38.892 12.947 1.00 26.26 C +ATOM 1162 O PRO A 160 9.437 -38.217 12.390 1.00 25.65 O +ATOM 1163 CB PRO A 160 6.385 -39.238 11.685 1.00 26.36 C +ATOM 1164 CG PRO A 160 5.378 -39.723 12.664 1.00 26.61 C +ATOM 1165 CD PRO A 160 5.819 -41.098 13.041 1.00 26.61 C +ATOM 1166 N TYR A 161 8.310 -38.824 14.251 1.00 24.52 N +ATOM 1167 CA TYR A 161 9.076 -37.981 15.168 1.00 24.68 C +ATOM 1168 C TYR A 161 10.091 -38.853 15.885 1.00 25.78 C +ATOM 1169 O TYR A 161 9.724 -39.811 16.562 1.00 26.96 O +ATOM 1170 CB TYR A 161 8.116 -37.252 16.136 1.00 23.30 C +ATOM 1171 CG TYR A 161 7.134 -36.419 15.331 1.00 22.53 C +ATOM 1172 CD1 TYR A 161 7.508 -35.170 14.838 1.00 22.51 C +ATOM 1173 CD2 TYR A 161 5.870 -36.913 14.989 1.00 21.99 C +ATOM 1174 CE1 TYR A 161 6.660 -34.413 14.036 1.00 22.93 C +ATOM 1175 CE2 TYR A 161 5.003 -36.175 14.181 1.00 22.35 C +ATOM 1176 CZ TYR A 161 5.399 -34.930 13.706 1.00 23.17 C +ATOM 1177 OH TYR A 161 4.553 -34.191 12.941 1.00 23.31 O +ATOM 1178 N ASP A 162 11.370 -38.530 15.715 1.00 24.24 N +ATOM 1179 CA ASP A 162 12.463 -39.367 16.226 1.00 24.76 C +ATOM 1180 C ASP A 162 12.429 -39.646 17.737 1.00 25.00 C +ATOM 1181 O ASP A 162 12.453 -38.710 18.565 1.00 24.68 O +ATOM 1182 CB ASP A 162 13.812 -38.740 15.843 1.00 26.87 C +ATOM 1183 CG ASP A 162 14.983 -39.684 16.088 1.00 28.18 C +ATOM 1184 OD1 ASP A 162 15.130 -40.621 15.297 1.00 30.18 O +ATOM 1185 OD2 ASP A 162 15.732 -39.491 17.071 1.00 27.46 O +ATOM 1186 N CYS A 163 12.427 -40.932 18.104 1.00 26.55 N +ATOM 1187 CA CYS A 163 12.352 -41.324 19.523 1.00 30.19 C +ATOM 1188 C CYS A 163 13.521 -40.777 20.327 1.00 30.89 C +ATOM 1189 O CYS A 163 13.325 -40.215 21.414 1.00 32.51 O +ATOM 1190 CB CYS A 163 12.242 -42.837 19.672 1.00 36.69 C +ATOM 1191 SG CYS A 163 10.636 -43.463 19.138 1.00 44.91 S +ATOM 1192 N GLN A 164 14.729 -40.900 19.779 1.00 31.25 N +ATOM 1193 CA GLN A 164 15.933 -40.396 20.446 1.00 32.97 C +ATOM 1194 C GLN A 164 15.928 -38.872 20.585 1.00 28.53 C +ATOM 1195 O GLN A 164 16.269 -38.347 21.651 1.00 27.47 O +ATOM 1196 CB GLN A 164 17.219 -40.848 19.740 1.00 38.71 C +ATOM 1197 CG GLN A 164 17.276 -42.317 19.322 1.00 45.07 C +ATOM 1198 CD GLN A 164 16.914 -43.270 20.441 1.00 50.44 C +ATOM 1199 OE1 GLN A 164 17.441 -43.177 21.552 1.00 55.42 O +ATOM 1200 NE2 GLN A 164 16.007 -44.198 20.154 1.00 51.24 N +ATOM 1201 N HIS A 165 15.547 -38.162 19.525 1.00 26.23 N +ATOM 1202 CA HIS A 165 15.472 -36.694 19.610 1.00 25.87 C +ATOM 1203 C HIS A 165 14.532 -36.205 20.717 1.00 24.83 C +ATOM 1204 O HIS A 165 14.856 -35.273 21.448 1.00 22.96 O +ATOM 1205 CB HIS A 165 15.117 -36.027 18.278 1.00 27.22 C +ATOM 1206 CG HIS A 165 16.194 -36.120 17.236 1.00 29.25 C +ATOM 1207 ND1 HIS A 165 17.458 -36.587 17.508 1.00 30.26 N +ATOM 1208 CD2 HIS A 165 16.195 -35.788 15.923 1.00 29.82 C +ATOM 1209 CE1 HIS A 165 18.189 -36.556 16.407 1.00 30.97 C +ATOM 1210 NE2 HIS A 165 17.448 -36.069 15.431 1.00 29.76 N +ATOM 1211 N GLU A 167 13.495 -37.795 23.461 1.00 27.31 N +ATOM 1212 CA GLU A 167 14.185 -38.131 24.703 1.00 30.54 C +ATOM 1213 C GLU A 167 15.169 -36.998 25.113 1.00 29.73 C +ATOM 1214 O GLU A 167 15.140 -36.488 26.262 1.00 29.96 O +ATOM 1215 CB GLU A 167 14.841 -39.519 24.506 1.00 36.04 C +ATOM 1216 CG GLU A 167 16.178 -39.810 25.171 1.00 44.96 C +ATOM 1217 CD GLU A 167 16.725 -41.189 24.775 1.00 53.56 C +ATOM 1218 OE1 GLU A 167 17.654 -41.251 23.933 1.00 56.47 O +ATOM 1219 OE2 GLU A 167 16.216 -42.219 25.285 1.00 54.92 O +ATOM 1220 N VAL A 168 15.996 -36.561 24.161 1.00 29.85 N +ATOM 1221 CA VAL A 168 16.949 -35.459 24.403 1.00 29.13 C +ATOM 1222 C VAL A 168 16.204 -34.163 24.713 1.00 27.34 C +ATOM 1223 O VAL A 168 16.514 -33.491 25.707 1.00 27.20 O +ATOM 1224 CB VAL A 168 17.976 -35.320 23.237 1.00 30.09 C +ATOM 1225 CG1 VAL A 168 18.680 -33.969 23.234 1.00 30.26 C +ATOM 1226 CG2 VAL A 168 18.988 -36.460 23.307 1.00 31.79 C +ATOM 1227 N ALA A 169 15.184 -33.844 23.909 1.00 25.58 N +ATOM 1228 CA ALA A 169 14.367 -32.650 24.154 1.00 24.15 C +ATOM 1229 C ALA A 169 13.811 -32.624 25.593 1.00 25.13 C +ATOM 1230 O ALA A 169 13.865 -31.571 26.263 1.00 24.20 O +ATOM 1231 CB ALA A 169 13.235 -32.543 23.135 1.00 22.46 C +ATOM 1232 N ARG A 170 13.311 -33.775 26.065 1.00 24.70 N +ATOM 1233 CA ARG A 170 12.764 -33.881 27.431 1.00 24.89 C +ATOM 1234 C ARG A 170 13.842 -33.710 28.515 1.00 25.06 C +ATOM 1235 O ARG A 170 13.642 -32.976 29.505 1.00 24.15 O +ATOM 1236 CB ARG A 170 11.967 -35.179 27.644 1.00 24.72 C +ATOM 1237 CG ARG A 170 11.642 -35.460 29.109 1.00 25.34 C +ATOM 1238 CD ARG A 170 10.351 -36.232 29.300 1.00 25.92 C +ATOM 1239 NE ARG A 170 9.181 -35.409 28.950 1.00 25.80 N +ATOM 1240 CZ ARG A 170 7.977 -35.888 28.679 1.00 23.84 C +ATOM 1241 NH1 ARG A 170 7.747 -37.201 28.704 1.00 24.90 N +ATOM 1242 NH2 ARG A 170 7.001 -35.044 28.380 1.00 22.42 N +ATOM 1243 N GLN A 171 14.973 -34.384 28.313 1.00 26.04 N +ATOM 1244 CA GLN A 171 16.126 -34.288 29.220 1.00 27.35 C +ATOM 1245 C GLN A 171 16.557 -32.839 29.389 1.00 26.01 C +ATOM 1246 O GLN A 171 16.800 -32.388 30.508 1.00 28.00 O +ATOM 1247 CB GLN A 171 17.291 -35.177 28.732 1.00 31.07 C +ATOM 1248 CG GLN A 171 17.022 -36.678 28.918 1.00 36.37 C +ATOM 1249 CD GLN A 171 17.935 -37.615 28.109 1.00 41.04 C +ATOM 1250 OE1 GLN A 171 18.630 -37.199 27.178 1.00 43.84 O +ATOM 1251 NE2 GLN A 171 17.927 -38.900 28.476 1.00 40.83 N +ATOM 1252 N VAL A 172 16.622 -32.100 28.287 1.00 25.61 N +ATOM 1253 CA VAL A 172 16.987 -30.672 28.335 1.00 25.87 C +ATOM 1254 C VAL A 172 15.942 -29.810 29.049 1.00 25.46 C +ATOM 1255 O VAL A 172 16.299 -29.007 29.920 1.00 25.07 O +ATOM 1256 CB VAL A 172 17.233 -30.075 26.939 1.00 26.69 C +ATOM 1257 CG1 VAL A 172 17.414 -28.559 27.039 1.00 26.05 C +ATOM 1258 CG2 VAL A 172 18.434 -30.737 26.269 1.00 26.77 C +ATOM 1259 N ALA A 173 14.664 -29.994 28.683 1.00 24.58 N +ATOM 1260 CA ALA A 173 13.556 -29.305 29.338 1.00 25.01 C +ATOM 1261 C ALA A 173 13.660 -29.438 30.850 1.00 24.59 C +ATOM 1262 O ALA A 173 13.545 -28.445 31.564 1.00 25.27 O +ATOM 1263 CB ALA A 173 12.201 -29.833 28.851 1.00 23.68 C +ATOM 1264 N LEU A 174 13.886 -30.667 31.323 1.00 24.99 N +ATOM 1265 CA LEU A 174 13.943 -30.929 32.757 1.00 26.88 C +ATOM 1266 C LEU A 174 15.157 -30.281 33.383 1.00 27.21 C +ATOM 1267 O LEU A 174 15.067 -29.659 34.448 1.00 27.95 O +ATOM 1268 CB LEU A 174 13.872 -32.436 33.071 1.00 27.19 C +ATOM 1269 CG LEU A 174 12.563 -33.133 32.698 1.00 27.99 C +ATOM 1270 CD1 LEU A 174 12.732 -34.655 32.695 1.00 28.70 C +ATOM 1271 CD2 LEU A 174 11.438 -32.689 33.632 1.00 30.07 C +ATOM 1272 N GLU A 175 16.285 -30.383 32.693 1.00 27.74 N +ATOM 1273 CA GLU A 175 17.504 -29.690 33.124 1.00 29.21 C +ATOM 1274 C GLU A 175 17.264 -28.181 33.280 1.00 28.76 C +ATOM 1275 O GLU A 175 17.779 -27.538 34.201 1.00 28.25 O +ATOM 1276 CB GLU A 175 18.577 -29.894 32.076 1.00 30.02 C +ATOM 1277 CG GLU A 175 19.874 -30.410 32.616 1.00 33.48 C +ATOM 1278 CD GLU A 175 20.790 -30.789 31.480 1.00 35.08 C +ATOM 1279 OE1 GLU A 175 20.606 -31.889 30.887 1.00 33.15 O +ATOM 1280 OE2 GLU A 175 21.661 -29.950 31.173 1.00 36.71 O +ATOM 1281 N LEU A 176 16.473 -27.618 32.380 1.00 28.28 N +ATOM 1282 CA LEU A 176 16.210 -26.182 32.400 1.00 28.64 C +ATOM 1283 C LEU A 176 15.034 -25.855 33.334 1.00 28.95 C +ATOM 1284 O LEU A 176 14.762 -24.690 33.633 1.00 30.18 O +ATOM 1285 CB LEU A 176 15.978 -25.667 30.974 1.00 29.14 C +ATOM 1286 CG LEU A 176 17.107 -25.796 29.924 1.00 30.69 C +ATOM 1287 CD1 LEU A 176 16.705 -25.176 28.596 1.00 31.60 C +ATOM 1288 CD2 LEU A 176 18.420 -25.179 30.397 1.00 32.52 C +ATOM 1289 N GLY A 177 14.350 -26.888 33.814 1.00 27.37 N +ATOM 1290 CA GLY A 177 13.193 -26.687 34.684 1.00 27.45 C +ATOM 1291 C GLY A 177 11.993 -26.154 33.904 1.00 26.37 C +ATOM 1292 O GLY A 177 11.241 -25.317 34.412 1.00 26.11 O +ATOM 1293 N ILE A 178 11.833 -26.630 32.669 1.00 26.14 N +ATOM 1294 CA ILE A 178 10.699 -26.253 31.802 1.00 28.49 C +ATOM 1295 C ILE A 178 9.795 -27.467 31.587 1.00 28.44 C +ATOM 1296 O ILE A 178 10.285 -28.551 31.266 1.00 26.91 O +ATOM 1297 CB ILE A 178 11.185 -25.753 30.415 1.00 31.04 C +ATOM 1298 CG1 ILE A 178 12.207 -24.623 30.565 1.00 30.86 C +ATOM 1299 CG2 ILE A 178 10.009 -25.293 29.562 1.00 32.63 C +ATOM 1300 CD1 ILE A 178 12.815 -24.112 29.270 1.00 30.33 C +ATOM 1301 N HIS A 179 8.484 -27.292 31.777 1.00 28.63 N +ATOM 1302 CA HIS A 179 7.522 -28.345 31.450 1.00 29.55 C +ATOM 1303 C HIS A 179 7.233 -28.395 29.946 1.00 27.81 C +ATOM 1304 O HIS A 179 6.659 -27.457 29.373 1.00 26.89 O +ATOM 1305 CB HIS A 179 6.216 -28.196 32.257 1.00 30.10 C +ATOM 1306 CG HIS A 179 5.191 -29.248 31.944 1.00 30.98 C +ATOM 1307 ND1 HIS A 179 5.496 -30.591 31.874 1.00 30.97 N +ATOM 1308 CD2 HIS A 179 3.867 -29.150 31.688 1.00 32.41 C +ATOM 1309 CE1 HIS A 179 4.405 -31.274 31.580 1.00 31.91 C +ATOM 1310 NE2 HIS A 179 3.399 -30.425 31.473 1.00 32.49 N +ATOM 1311 N CYS A 180 7.650 -29.487 29.314 1.00 26.08 N +ATOM 1312 CA CYS A 180 7.337 -29.740 27.925 1.00 26.87 C +ATOM 1313 C CYS A 180 6.579 -31.052 27.839 1.00 25.91 C +ATOM 1314 O CYS A 180 7.188 -32.129 27.779 1.00 24.71 O +ATOM 1315 CB CYS A 180 8.592 -29.834 27.035 1.00 28.71 C +ATOM 1316 SG CYS A 180 9.492 -28.289 26.807 1.00 30.18 S +ATOM 1317 N PRO A 181 5.236 -30.973 27.821 1.00 24.65 N +ATOM 1318 CA PRO A 181 4.472 -32.207 27.634 1.00 24.08 C +ATOM 1319 C PRO A 181 4.604 -32.745 26.184 1.00 23.64 C +ATOM 1320 O PRO A 181 4.957 -31.979 25.274 1.00 22.54 O +ATOM 1321 CB PRO A 181 3.039 -31.744 27.936 1.00 24.43 C +ATOM 1322 CG PRO A 181 2.999 -30.317 27.422 1.00 24.72 C +ATOM 1323 CD PRO A 181 4.409 -29.765 27.623 1.00 24.58 C +ATOM 1324 N LYS A 182 4.343 -34.044 25.981 1.00 21.62 N +ATOM 1325 CA LYS A 182 4.328 -34.647 24.647 1.00 22.77 C +ATOM 1326 C LYS A 182 2.869 -34.814 24.258 1.00 21.60 C +ATOM 1327 O LYS A 182 2.035 -35.072 25.136 1.00 22.61 O +ATOM 1328 CB LYS A 182 4.991 -36.033 24.658 1.00 24.54 C +ATOM 1329 CG LYS A 182 6.476 -36.011 24.991 1.00 29.81 C +ATOM 1330 CD LYS A 182 7.063 -37.393 24.781 1.00 34.42 C +ATOM 1331 CE LYS A 182 8.547 -37.403 25.125 1.00 39.94 C +ATOM 1332 NZ LYS A 182 9.039 -38.800 25.323 1.00 42.46 N +ATOM 1333 N GLY A 183 2.568 -34.688 22.964 1.00 19.79 N +ATOM 1334 CA GLY A 183 1.179 -34.756 22.496 1.00 20.41 C +ATOM 1335 C GLY A 183 1.093 -34.960 20.980 1.00 21.11 C +ATOM 1336 O GLY A 183 2.118 -34.966 20.286 1.00 21.56 O +ATOM 1337 N VAL A 184 -0.136 -35.150 20.487 1.00 19.84 N +ATOM 1338 CA VAL A 184 -0.421 -35.382 19.083 1.00 19.31 C +ATOM 1339 C VAL A 184 -0.885 -34.069 18.410 1.00 19.33 C +ATOM 1340 O VAL A 184 -1.823 -33.409 18.895 1.00 18.56 O +ATOM 1341 CB VAL A 184 -1.528 -36.448 18.955 1.00 19.72 C +ATOM 1342 CG1 VAL A 184 -1.901 -36.671 17.485 1.00 20.76 C +ATOM 1343 CG2 VAL A 184 -1.063 -37.755 19.615 1.00 19.32 C +ATOM 1344 N PHE A 185 -0.254 -33.735 17.281 1.00 19.15 N +ATOM 1345 CA PHE A 185 -0.532 -32.516 16.509 1.00 17.91 C +ATOM 1346 C PHE A 185 -1.476 -32.888 15.370 1.00 17.86 C +ATOM 1347 O PHE A 185 -1.232 -33.882 14.679 1.00 19.20 O +ATOM 1348 CB PHE A 185 0.779 -31.953 15.949 1.00 18.09 C +ATOM 1349 CG PHE A 185 0.609 -30.748 15.060 1.00 18.98 C +ATOM 1350 CD1 PHE A 185 0.402 -30.905 13.688 1.00 19.64 C +ATOM 1351 CD2 PHE A 185 0.656 -29.454 15.589 1.00 19.99 C +ATOM 1352 CE1 PHE A 185 0.252 -29.790 12.851 1.00 20.26 C +ATOM 1353 CE2 PHE A 185 0.494 -28.330 14.753 1.00 21.32 C +ATOM 1354 CZ PHE A 185 0.286 -28.517 13.388 1.00 20.99 C +ATOM 1355 N VAL A 186 -2.567 -32.139 15.211 1.00 16.96 N +ATOM 1356 CA VAL A 186 -3.461 -32.345 14.071 1.00 17.56 C +ATOM 1357 C VAL A 186 -3.321 -31.150 13.135 1.00 19.42 C +ATOM 1358 O VAL A 186 -3.411 -29.980 13.564 1.00 20.50 O +ATOM 1359 CB VAL A 186 -4.960 -32.647 14.446 1.00 16.74 C +ATOM 1360 CG1 VAL A 186 -5.646 -31.470 15.130 1.00 16.48 C +ATOM 1361 CG2 VAL A 186 -5.792 -32.978 13.194 1.00 15.85 C +ATOM 1362 N ALA A 187 -3.112 -31.453 11.858 1.00 19.03 N +ATOM 1363 CA ALA A 187 -2.998 -30.447 10.819 1.00 20.55 C +ATOM 1364 C ALA A 187 -4.334 -30.307 10.104 1.00 20.49 C +ATOM 1365 O ALA A 187 -4.909 -31.297 9.673 1.00 21.56 O +ATOM 1366 CB ALA A 187 -1.942 -30.860 9.820 1.00 20.82 C +ATOM 1367 N VAL A 188 -4.795 -29.069 9.984 1.00 19.89 N +ATOM 1368 CA VAL A 188 -5.972 -28.730 9.209 1.00 20.66 C +ATOM 1369 C VAL A 188 -5.585 -27.590 8.238 1.00 23.09 C +ATOM 1370 O VAL A 188 -4.602 -26.834 8.475 1.00 22.12 O +ATOM 1371 CB VAL A 188 -7.146 -28.309 10.115 1.00 20.79 C +ATOM 1372 CG1 VAL A 188 -7.499 -29.405 11.133 1.00 20.01 C +ATOM 1373 CG2 VAL A 188 -6.803 -27.028 10.864 1.00 21.59 C +ATOM 1374 N SER A 189 -6.330 -27.485 7.137 1.00 22.89 N +ATOM 1375 CA SER A 189 -6.052 -26.477 6.102 1.00 23.40 C +ATOM 1376 C SER A 189 -6.033 -25.030 6.637 1.00 21.79 C +ATOM 1377 O SER A 189 -5.108 -24.269 6.358 1.00 22.05 O +ATOM 1378 CB SER A 189 -7.065 -26.588 4.950 1.00 24.80 C +ATOM 1379 OG SER A 189 -8.329 -26.112 5.368 1.00 29.07 O +ATOM 1380 N GLY A 190 -7.033 -24.656 7.420 1.00 21.25 N +ATOM 1381 CA GLY A 190 -7.275 -23.234 7.706 1.00 22.20 C +ATOM 1382 C GLY A 190 -7.881 -22.596 6.452 1.00 22.31 C +ATOM 1383 O GLY A 190 -8.353 -23.325 5.575 1.00 22.64 O +ATOM 1384 N PRO A 191 -7.847 -21.242 6.329 1.00 23.25 N +ATOM 1385 CA PRO A 191 -7.234 -20.283 7.253 1.00 23.00 C +ATOM 1386 C PRO A 191 -8.096 -19.912 8.450 1.00 24.46 C +ATOM 1387 O PRO A 191 -7.566 -19.341 9.399 1.00 26.00 O +ATOM 1388 CB PRO A 191 -7.038 -19.043 6.385 1.00 22.93 C +ATOM 1389 CG PRO A 191 -8.188 -19.094 5.423 1.00 23.13 C +ATOM 1390 CD PRO A 191 -8.407 -20.565 5.141 1.00 22.83 C +ATOM 1391 N ASN A 192 -9.405 -20.195 8.396 1.00 25.62 N +ATOM 1392 CA ASN A 192 -10.287 -19.878 9.516 1.00 26.74 C +ATOM 1393 C ASN A 192 -9.908 -20.726 10.695 1.00 24.79 C +ATOM 1394 O ASN A 192 -9.342 -21.803 10.539 1.00 24.56 O +ATOM 1395 CB ASN A 192 -11.776 -20.076 9.182 1.00 28.72 C +ATOM 1396 CG ASN A 192 -12.090 -21.484 8.737 1.00 30.88 C +ATOM 1397 OD1 ASN A 192 -11.882 -21.833 7.576 1.00 35.48 O +ATOM 1398 ND2 ASN A 192 -12.591 -22.298 9.652 1.00 29.47 N +ATOM 1399 N LEU A 193 -10.200 -20.228 11.880 1.00 25.57 N +ATOM 1400 CA LEU A 193 -10.047 -21.037 13.074 1.00 26.19 C +ATOM 1401 C LEU A 193 -11.201 -22.015 13.148 1.00 24.35 C +ATOM 1402 O LEU A 193 -12.186 -21.878 12.422 1.00 24.62 O +ATOM 1403 CB LEU A 193 -9.995 -20.139 14.309 1.00 28.47 C +ATOM 1404 CG LEU A 193 -8.743 -19.258 14.393 1.00 31.66 C +ATOM 1405 CD1 LEU A 193 -9.020 -18.126 15.350 1.00 34.22 C +ATOM 1406 CD2 LEU A 193 -7.557 -20.067 14.873 1.00 33.55 C +ATOM 1407 N GLU A 194 -11.093 -22.988 14.035 1.00 22.87 N +ATOM 1408 CA GLU A 194 -12.141 -24.003 14.185 1.00 21.37 C +ATOM 1409 C GLU A 194 -13.389 -23.584 14.979 1.00 19.85 C +ATOM 1410 O GLU A 194 -13.325 -22.748 15.876 1.00 19.34 O +ATOM 1411 CB GLU A 194 -11.543 -25.292 14.764 1.00 20.41 C +ATOM 1412 CG GLU A 194 -10.420 -25.890 13.901 1.00 20.68 C +ATOM 1413 CD GLU A 194 -9.135 -25.059 13.909 1.00 24.10 C +ATOM 1414 OE1 GLU A 194 -8.683 -24.638 15.000 1.00 25.60 O +ATOM 1415 OE2 GLU A 194 -8.552 -24.808 12.827 1.00 24.76 O +ATOM 1416 N THR A 195 -14.535 -24.181 14.654 1.00 18.03 N +ATOM 1417 CA THR A 195 -15.743 -23.972 15.461 1.00 18.01 C +ATOM 1418 C THR A 195 -15.642 -24.776 16.758 1.00 17.52 C +ATOM 1419 O THR A 195 -14.828 -25.705 16.844 1.00 18.03 O +ATOM 1420 CB THR A 195 -16.996 -24.455 14.695 1.00 17.27 C +ATOM 1421 OG1 THR A 195 -16.850 -25.845 14.399 1.00 17.60 O +ATOM 1422 CG2 THR A 195 -17.147 -23.680 13.388 1.00 16.78 C +ATOM 1423 N ARG A 196 -16.470 -24.433 17.737 1.00 17.12 N +ATOM 1424 CA ARG A 196 -16.669 -25.253 18.961 1.00 18.06 C +ATOM 1425 C ARG A 196 -16.899 -26.747 18.640 1.00 17.11 C +ATOM 1426 O ARG A 196 -16.209 -27.639 19.174 1.00 16.53 O +ATOM 1427 CB ARG A 196 -17.850 -24.705 19.761 1.00 19.32 C +ATOM 1428 CG ARG A 196 -17.524 -23.361 20.441 1.00 19.45 C +ATOM 1429 CD ARG A 196 -18.774 -22.580 20.863 1.00 20.69 C +ATOM 1430 NE ARG A 196 -19.616 -22.238 19.724 1.00 20.61 N +ATOM 1431 CZ ARG A 196 -20.903 -22.572 19.600 1.00 22.64 C +ATOM 1432 NH1 ARG A 196 -21.522 -23.258 20.564 1.00 24.09 N +ATOM 1433 NH2 ARG A 196 -21.568 -22.243 18.488 1.00 21.91 N +ATOM 1434 N ALA A 197 -17.846 -27.015 17.734 1.00 16.20 N +ATOM 1435 CA ALA A 197 -18.123 -28.401 17.349 1.00 15.88 C +ATOM 1436 C ALA A 197 -16.913 -29.111 16.683 1.00 16.30 C +ATOM 1437 O ALA A 197 -16.655 -30.284 16.926 1.00 15.55 O +ATOM 1438 CB ALA A 197 -19.368 -28.468 16.502 1.00 16.62 C +ATOM 1439 N GLU A 198 -16.144 -28.385 15.876 1.00 16.50 N +ATOM 1440 CA GLU A 198 -14.893 -28.943 15.318 1.00 17.56 C +ATOM 1441 C GLU A 198 -13.828 -29.249 16.375 1.00 17.61 C +ATOM 1442 O GLU A 198 -13.167 -30.289 16.315 1.00 16.06 O +ATOM 1443 CB GLU A 198 -14.313 -28.014 14.247 1.00 17.24 C +ATOM 1444 CG GLU A 198 -15.000 -28.178 12.886 1.00 18.20 C +ATOM 1445 CD GLU A 198 -14.899 -26.926 12.012 1.00 19.54 C +ATOM 1446 OE1 GLU A 198 -14.168 -25.967 12.365 1.00 21.11 O +ATOM 1447 OE2 GLU A 198 -15.582 -26.898 10.987 1.00 19.65 O +ATOM 1448 N TYR A 199 -13.673 -28.347 17.349 1.00 16.47 N +ATOM 1449 CA TYR A 199 -12.761 -28.629 18.443 1.00 17.30 C +ATOM 1450 C TYR A 199 -13.176 -29.890 19.229 1.00 15.58 C +ATOM 1451 O TYR A 199 -12.322 -30.687 19.620 1.00 15.73 O +ATOM 1452 CB TYR A 199 -12.655 -27.423 19.399 1.00 19.28 C +ATOM 1453 CG TYR A 199 -11.857 -26.257 18.854 1.00 21.13 C +ATOM 1454 CD1 TYR A 199 -10.547 -26.444 18.344 1.00 21.26 C +ATOM 1455 CD2 TYR A 199 -12.379 -24.955 18.900 1.00 21.90 C +ATOM 1456 CE1 TYR A 199 -9.822 -25.372 17.840 1.00 22.15 C +ATOM 1457 CE2 TYR A 199 -11.655 -23.877 18.414 1.00 22.75 C +ATOM 1458 CZ TYR A 199 -10.386 -24.087 17.886 1.00 23.76 C +ATOM 1459 OH TYR A 199 -9.682 -23.001 17.401 1.00 26.98 O +ATOM 1460 N ARG A 200 -14.472 -30.078 19.464 1.00 15.16 N +ATOM 1461 CA ARG A 200 -14.921 -31.289 20.194 1.00 15.99 C +ATOM 1462 C ARG A 200 -14.503 -32.527 19.401 1.00 17.51 C +ATOM 1463 O ARG A 200 -14.018 -33.496 19.996 1.00 18.39 O +ATOM 1464 CB ARG A 200 -16.449 -31.285 20.383 1.00 16.73 C +ATOM 1465 CG ARG A 200 -16.983 -30.179 21.293 1.00 18.90 C +ATOM 1466 CD ARG A 200 -18.465 -30.417 21.559 1.00 20.79 C +ATOM 1467 NE ARG A 200 -19.123 -29.200 22.035 1.00 23.02 N +ATOM 1468 CZ ARG A 200 -19.025 -28.716 23.271 1.00 25.34 C +ATOM 1469 NH1 ARG A 200 -18.284 -29.334 24.180 1.00 26.68 N +ATOM 1470 NH2 ARG A 200 -19.679 -27.605 23.600 1.00 26.07 N +ATOM 1471 N LEU A 202 -12.068 -32.866 16.900 1.00 17.36 N +ATOM 1472 CA LEU A 202 -10.616 -33.055 16.928 1.00 18.31 C +ATOM 1473 C LEU A 202 -10.144 -33.692 18.246 1.00 19.37 C +ATOM 1474 O LEU A 202 -9.229 -34.547 18.238 1.00 17.73 O +ATOM 1475 CB LEU A 202 -9.884 -31.723 16.717 1.00 18.73 C +ATOM 1476 CG LEU A 202 -10.073 -31.073 15.331 1.00 19.75 C +ATOM 1477 CD1 LEU A 202 -9.579 -29.636 15.323 1.00 18.40 C +ATOM 1478 CD2 LEU A 202 -9.446 -31.891 14.199 1.00 21.72 C +ATOM 1479 N LYS A 203 -10.725 -33.243 19.369 1.00 18.67 N +ATOM 1480 CA LYS A 203 -10.386 -33.861 20.675 1.00 19.31 C +ATOM 1481 C LYS A 203 -10.740 -35.333 20.706 1.00 21.21 C +ATOM 1482 O LYS A 203 -9.915 -36.154 21.102 1.00 22.16 O +ATOM 1483 CB LYS A 203 -11.026 -33.166 21.858 1.00 19.62 C +ATOM 1484 CG LYS A 203 -10.442 -33.620 23.198 1.00 22.48 C +ATOM 1485 CD LYS A 203 -11.214 -32.959 24.317 1.00 26.23 C +ATOM 1486 CE LYS A 203 -10.881 -33.567 25.657 1.00 31.86 C +ATOM 1487 NZ LYS A 203 -11.353 -32.637 26.741 1.00 34.18 N +ATOM 1488 N LEU A 204 -11.971 -35.651 20.287 1.00 21.48 N +ATOM 1489 CA LEU A 204 -12.437 -37.018 20.165 1.00 23.29 C +ATOM 1490 C LEU A 204 -11.557 -37.887 19.258 1.00 22.60 C +ATOM 1491 O LEU A 204 -11.383 -39.091 19.526 1.00 21.76 O +ATOM 1492 CB LEU A 204 -13.876 -37.024 19.638 1.00 27.88 C +ATOM 1493 CG LEU A 204 -14.610 -38.352 19.824 1.00 35.68 C +ATOM 1494 CD1 LEU A 204 -15.126 -38.485 21.255 1.00 34.46 C +ATOM 1495 CD2 LEU A 204 -15.751 -38.459 18.818 1.00 37.08 C +ATOM 1496 N GLY A 206 -8.415 -37.603 18.855 1.00 20.14 N +ATOM 1497 CA GLY A 206 -7.094 -37.851 19.428 1.00 20.53 C +ATOM 1498 C GLY A 206 -6.082 -36.730 19.418 1.00 21.86 C +ATOM 1499 O GLY A 206 -4.940 -36.941 19.831 1.00 22.62 O +ATOM 1500 N ALA A 207 -6.476 -35.533 18.954 1.00 20.85 N +ATOM 1501 CA ALA A 207 -5.556 -34.389 18.890 1.00 19.18 C +ATOM 1502 C ALA A 207 -5.360 -33.662 20.220 1.00 18.16 C +ATOM 1503 O ALA A 207 -6.313 -33.376 20.920 1.00 17.38 O +ATOM 1504 CB ALA A 207 -6.026 -33.383 17.828 1.00 18.42 C +ATOM 1505 N ASP A 208 -4.117 -33.311 20.530 1.00 16.59 N +ATOM 1506 CA ASP A 208 -3.824 -32.463 21.689 1.00 18.51 C +ATOM 1507 C ASP A 208 -3.653 -31.005 21.305 1.00 18.05 C +ATOM 1508 O ASP A 208 -3.951 -30.115 22.106 1.00 17.07 O +ATOM 1509 CB ASP A 208 -2.586 -32.989 22.427 1.00 21.38 C +ATOM 1510 CG ASP A 208 -2.773 -34.432 22.902 1.00 23.43 C +ATOM 1511 OD1 ASP A 208 -3.731 -34.665 23.687 1.00 24.49 O +ATOM 1512 OD2 ASP A 208 -1.981 -35.329 22.489 1.00 24.63 O +ATOM 1513 N VAL A 209 -3.115 -30.776 20.101 1.00 18.48 N +ATOM 1514 CA VAL A 209 -3.011 -29.435 19.538 1.00 18.86 C +ATOM 1515 C VAL A 209 -3.405 -29.433 18.081 1.00 19.03 C +ATOM 1516 O VAL A 209 -3.276 -30.448 17.400 1.00 18.87 O +ATOM 1517 CB VAL A 209 -1.590 -28.851 19.628 1.00 19.79 C +ATOM 1518 CG1 VAL A 209 -1.220 -28.561 21.070 1.00 20.19 C +ATOM 1519 CG2 VAL A 209 -0.560 -29.759 18.951 1.00 20.35 C +ATOM 1520 N VAL A 210 -3.784 -28.261 17.579 1.00 19.18 N +ATOM 1521 CA VAL A 210 -4.188 -28.141 16.186 1.00 19.93 C +ATOM 1522 C VAL A 210 -3.456 -26.964 15.517 1.00 20.31 C +ATOM 1523 O VAL A 210 -3.340 -25.885 16.101 1.00 20.90 O +ATOM 1524 CB VAL A 210 -5.726 -28.003 16.095 1.00 19.61 C +ATOM 1525 CG1 VAL A 210 -6.236 -26.921 17.044 1.00 19.11 C +ATOM 1526 CG2 VAL A 210 -6.184 -27.769 14.656 1.00 18.59 C +ATOM 1527 N GLY A 211 -2.948 -27.176 14.304 1.00 20.67 N +ATOM 1528 CA GLY A 211 -2.282 -26.077 13.578 1.00 21.98 C +ATOM 1529 C GLY A 211 -2.532 -26.198 12.085 1.00 23.14 C +ATOM 1530 O GLY A 211 -3.176 -27.140 11.624 1.00 24.21 O +ATOM 1531 N SER A 213 -0.028 -26.148 9.640 1.00 25.87 N +ATOM 1532 CA SER A 213 1.266 -26.363 8.986 1.00 28.88 C +ATOM 1533 C SER A 213 1.845 -27.730 9.323 1.00 28.24 C +ATOM 1534 O SER A 213 1.152 -28.613 9.858 1.00 27.09 O +ATOM 1535 CB SER A 213 2.257 -25.294 9.465 1.00 31.73 C +ATOM 1536 OG SER A 213 2.585 -25.480 10.858 1.00 33.25 O +ATOM 1537 N THR A 214 3.115 -27.879 8.974 1.00 26.70 N +ATOM 1538 CA THR A 214 4.059 -28.794 9.622 1.00 27.13 C +ATOM 1539 C THR A 214 3.992 -30.229 9.132 1.00 26.85 C +ATOM 1540 O THR A 214 5.011 -30.765 8.683 1.00 25.90 O +ATOM 1541 CB THR A 214 4.013 -28.674 11.156 1.00 27.24 C +ATOM 1542 OG1 THR A 214 4.430 -27.351 11.496 1.00 27.66 O +ATOM 1543 CG2 THR A 214 4.963 -29.677 11.826 1.00 28.30 C +ATOM 1544 N VAL A 215 2.787 -30.813 9.156 1.00 25.33 N +ATOM 1545 CA VAL A 215 2.592 -32.181 8.684 1.00 25.50 C +ATOM 1546 C VAL A 215 3.112 -32.450 7.250 1.00 23.12 C +ATOM 1547 O VAL A 215 3.781 -33.485 7.029 1.00 21.95 O +ATOM 1548 CB VAL A 215 1.125 -32.665 8.879 1.00 24.75 C +ATOM 1549 CG1 VAL A 215 0.862 -33.927 8.066 1.00 22.45 C +ATOM 1550 CG2 VAL A 215 0.870 -32.940 10.363 1.00 24.32 C +ATOM 1551 N PRO A 216 2.799 -31.561 6.279 1.00 23.17 N +ATOM 1552 CA PRO A 216 3.365 -31.727 4.916 1.00 23.18 C +ATOM 1553 C PRO A 216 4.902 -31.844 4.932 1.00 22.05 C +ATOM 1554 O PRO A 216 5.458 -32.780 4.356 1.00 21.74 O +ATOM 1555 CB PRO A 216 2.913 -30.457 4.195 1.00 24.35 C +ATOM 1556 CG PRO A 216 1.594 -30.137 4.859 1.00 24.08 C +ATOM 1557 CD PRO A 216 1.754 -30.518 6.305 1.00 23.51 C +ATOM 1558 N GLU A 217 5.569 -30.941 5.655 1.00 21.69 N +ATOM 1559 CA GLU A 217 7.029 -30.999 5.785 1.00 23.65 C +ATOM 1560 C GLU A 217 7.528 -32.255 6.459 1.00 24.05 C +ATOM 1561 O GLU A 217 8.569 -32.788 6.049 1.00 25.49 O +ATOM 1562 CB GLU A 217 7.580 -29.786 6.541 1.00 25.42 C +ATOM 1563 CG GLU A 217 7.456 -28.482 5.759 1.00 29.91 C +ATOM 1564 CD GLU A 217 6.363 -27.588 6.297 1.00 35.03 C +ATOM 1565 OE1 GLU A 217 5.168 -28.026 6.387 1.00 36.84 O +ATOM 1566 OE2 GLU A 217 6.709 -26.434 6.629 1.00 35.81 O +ATOM 1567 N VAL A 218 6.808 -32.711 7.495 1.00 23.13 N +ATOM 1568 CA VAL A 218 7.190 -33.935 8.221 1.00 22.07 C +ATOM 1569 C VAL A 218 7.091 -35.158 7.312 1.00 21.75 C +ATOM 1570 O VAL A 218 7.994 -36.031 7.302 1.00 20.05 O +ATOM 1571 CB VAL A 218 6.378 -34.117 9.530 1.00 20.72 C +ATOM 1572 CG1 VAL A 218 6.644 -35.488 10.180 1.00 19.95 C +ATOM 1573 CG2 VAL A 218 6.718 -33.014 10.522 1.00 20.36 C +ATOM 1574 N LEU A 219 5.964 -35.228 6.585 1.00 22.52 N +ATOM 1575 CA LEU A 219 5.738 -36.252 5.570 1.00 23.22 C +ATOM 1576 C LEU A 219 6.888 -36.310 4.566 1.00 24.06 C +ATOM 1577 O LEU A 219 7.411 -37.379 4.279 1.00 25.02 O +ATOM 1578 CB LEU A 219 4.413 -36.009 4.836 1.00 22.73 C +ATOM 1579 CG LEU A 219 3.082 -36.380 5.511 1.00 24.78 C +ATOM 1580 CD1 LEU A 219 1.895 -35.942 4.627 1.00 23.93 C +ATOM 1581 CD2 LEU A 219 2.990 -37.865 5.841 1.00 25.42 C +ATOM 1582 N VAL A 220 7.287 -35.156 4.030 1.00 25.41 N +ATOM 1583 CA VAL A 220 8.413 -35.118 3.078 1.00 25.24 C +ATOM 1584 C VAL A 220 9.766 -35.459 3.736 1.00 25.33 C +ATOM 1585 O VAL A 220 10.598 -36.109 3.114 1.00 26.15 O +ATOM 1586 CB VAL A 220 8.444 -33.795 2.274 1.00 25.44 C +ATOM 1587 CG1 VAL A 220 9.776 -33.593 1.550 1.00 26.26 C +ATOM 1588 CG2 VAL A 220 7.285 -33.772 1.282 1.00 25.15 C +ATOM 1589 N ALA A 221 9.971 -35.023 4.981 1.00 24.33 N +ATOM 1590 CA ALA A 221 11.198 -35.346 5.709 1.00 24.95 C +ATOM 1591 C ALA A 221 11.354 -36.861 5.873 1.00 25.18 C +ATOM 1592 O ALA A 221 12.431 -37.410 5.654 1.00 25.96 O +ATOM 1593 CB ALA A 221 11.208 -34.647 7.074 1.00 23.63 C +ATOM 1594 N VAL A 222 10.269 -37.536 6.233 1.00 24.63 N +ATOM 1595 CA VAL A 222 10.292 -38.986 6.468 1.00 25.85 C +ATOM 1596 C VAL A 222 10.516 -39.756 5.164 1.00 26.46 C +ATOM 1597 O VAL A 222 11.297 -40.706 5.121 1.00 27.10 O +ATOM 1598 CB VAL A 222 8.984 -39.463 7.160 1.00 26.22 C +ATOM 1599 CG1 VAL A 222 8.824 -40.970 7.053 1.00 27.32 C +ATOM 1600 CG2 VAL A 222 8.980 -39.015 8.613 1.00 25.32 C +ATOM 1601 N HIS A 223 9.817 -39.359 4.105 1.00 25.70 N +ATOM 1602 CA HIS A 223 10.070 -39.907 2.767 1.00 26.07 C +ATOM 1603 C HIS A 223 11.565 -39.809 2.371 1.00 27.78 C +ATOM 1604 O HIS A 223 12.128 -40.739 1.767 1.00 27.74 O +ATOM 1605 CB HIS A 223 9.218 -39.123 1.779 1.00 26.01 C +ATOM 1606 CG HIS A 223 9.317 -39.592 0.362 1.00 26.42 C +ATOM 1607 ND1 HIS A 223 9.960 -38.861 -0.608 1.00 27.53 N +ATOM 1608 CD2 HIS A 223 8.816 -40.682 -0.259 1.00 27.03 C +ATOM 1609 CE1 HIS A 223 9.854 -39.482 -1.770 1.00 29.03 C +ATOM 1610 NE2 HIS A 223 9.163 -40.590 -1.585 1.00 28.75 N +ATOM 1611 N ALA A 224 12.190 -38.693 2.744 1.00 28.68 N +ATOM 1612 CA ALA A 224 13.598 -38.403 2.426 1.00 30.40 C +ATOM 1613 C ALA A 224 14.608 -38.988 3.411 1.00 32.04 C +ATOM 1614 O ALA A 224 15.815 -38.839 3.218 1.00 31.52 O +ATOM 1615 CB ALA A 224 13.808 -36.894 2.292 1.00 29.66 C +ATOM 1616 N GLY A 225 14.120 -39.636 4.467 1.00 33.23 N +ATOM 1617 CA GLY A 225 14.978 -40.284 5.451 1.00 34.09 C +ATOM 1618 C GLY A 225 15.550 -39.364 6.515 1.00 33.54 C +ATOM 1619 O GLY A 225 16.534 -39.707 7.168 1.00 33.09 O +ATOM 1620 N LEU A 226 14.942 -38.197 6.702 1.00 32.12 N +ATOM 1621 CA LEU A 226 15.394 -37.288 7.741 1.00 30.62 C +ATOM 1622 C LEU A 226 14.744 -37.600 9.081 1.00 30.93 C +ATOM 1623 O LEU A 226 13.588 -38.037 9.129 1.00 31.32 O +ATOM 1624 CB LEU A 226 15.087 -35.839 7.367 1.00 29.65 C +ATOM 1625 CG LEU A 226 15.601 -35.221 6.069 1.00 28.32 C +ATOM 1626 CD1 LEU A 226 15.030 -33.817 5.974 1.00 27.14 C +ATOM 1627 CD2 LEU A 226 17.117 -35.183 5.964 1.00 29.96 C +ATOM 1628 N ARG A 227 15.491 -37.358 10.157 1.00 28.39 N +ATOM 1629 CA ARG A 227 15.007 -37.581 11.514 1.00 28.65 C +ATOM 1630 C ARG A 227 14.351 -36.277 11.976 1.00 29.53 C +ATOM 1631 O ARG A 227 14.883 -35.190 11.746 1.00 32.98 O +ATOM 1632 CB ARG A 227 16.162 -38.023 12.428 1.00 28.65 C +ATOM 1633 CG ARG A 227 16.827 -39.329 11.993 1.00 30.00 C +ATOM 1634 CD ARG A 227 18.112 -39.627 12.765 1.00 33.91 C +ATOM 1635 NE ARG A 227 17.888 -39.679 14.206 1.00 38.66 N +ATOM 1636 CZ ARG A 227 18.702 -40.257 15.092 1.00 43.15 C +ATOM 1637 NH1 ARG A 227 19.821 -40.854 14.683 1.00 44.95 N +ATOM 1638 NH2 ARG A 227 18.390 -40.242 16.396 1.00 39.39 N +ATOM 1639 N VAL A 228 13.176 -36.372 12.587 1.00 26.33 N +ATOM 1640 CA VAL A 228 12.386 -35.156 12.850 1.00 23.73 C +ATOM 1641 C VAL A 228 12.238 -34.897 14.349 1.00 22.49 C +ATOM 1642 O VAL A 228 11.942 -35.810 15.129 1.00 22.69 O +ATOM 1643 CB VAL A 228 10.992 -35.259 12.212 1.00 21.95 C +ATOM 1644 CG1 VAL A 228 10.096 -34.067 12.578 1.00 21.86 C +ATOM 1645 CG2 VAL A 228 11.123 -35.386 10.705 1.00 21.85 C +ATOM 1646 N LEU A 229 12.413 -33.638 14.728 1.00 22.38 N +ATOM 1647 CA LEU A 229 12.018 -33.166 16.057 1.00 20.81 C +ATOM 1648 C LEU A 229 11.059 -31.996 15.838 1.00 20.19 C +ATOM 1649 O LEU A 229 11.406 -31.043 15.154 1.00 20.88 O +ATOM 1650 CB LEU A 229 13.278 -32.715 16.839 1.00 22.08 C +ATOM 1651 CG LEU A 229 13.140 -32.045 18.213 1.00 21.47 C +ATOM 1652 CD1 LEU A 229 12.475 -32.995 19.208 1.00 21.70 C +ATOM 1653 CD2 LEU A 229 14.503 -31.579 18.747 1.00 20.95 C +ATOM 1654 N GLY A 230 9.844 -32.080 16.371 1.00 20.35 N +ATOM 1655 CA GLY A 230 8.868 -30.978 16.215 1.00 21.80 C +ATOM 1656 C GLY A 230 8.414 -30.404 17.550 1.00 21.70 C +ATOM 1657 O GLY A 230 8.303 -31.137 18.532 1.00 22.76 O +ATOM 1658 N PHE A 231 8.140 -29.103 17.593 1.00 21.22 N +ATOM 1659 CA PHE A 231 7.608 -28.491 18.791 1.00 22.54 C +ATOM 1660 C PHE A 231 6.397 -27.661 18.375 1.00 23.51 C +ATOM 1661 O PHE A 231 6.445 -27.025 17.328 1.00 23.24 O +ATOM 1662 CB PHE A 231 8.611 -27.532 19.433 1.00 23.67 C +ATOM 1663 CG PHE A 231 9.853 -28.194 19.972 1.00 24.64 C +ATOM 1664 CD1 PHE A 231 9.881 -28.711 21.269 1.00 24.38 C +ATOM 1665 CD2 PHE A 231 10.991 -28.303 19.180 1.00 25.14 C +ATOM 1666 CE1 PHE A 231 11.026 -29.307 21.778 1.00 24.24 C +ATOM 1667 CE2 PHE A 231 12.146 -28.899 19.686 1.00 26.14 C +ATOM 1668 CZ PHE A 231 12.152 -29.416 20.989 1.00 25.71 C +ATOM 1669 N SER A 232 5.347 -27.637 19.205 1.00 23.19 N +ATOM 1670 CA SER A 232 4.277 -26.646 19.057 1.00 23.01 C +ATOM 1671 C SER A 232 4.238 -25.703 20.237 1.00 23.95 C +ATOM 1672 O SER A 232 4.303 -26.129 21.365 1.00 24.66 O +ATOM 1673 CB SER A 232 2.899 -27.303 18.961 1.00 22.52 C +ATOM 1674 OG SER A 232 2.781 -28.068 17.789 1.00 22.29 O +ATOM 1675 N VAL A 233 4.070 -24.421 19.963 1.00 23.72 N +ATOM 1676 CA VAL A 233 3.807 -23.466 21.009 1.00 24.13 C +ATOM 1677 C VAL A 233 2.281 -23.286 21.077 1.00 24.05 C +ATOM 1678 O VAL A 233 1.656 -22.948 20.066 1.00 23.61 O +ATOM 1679 CB VAL A 233 4.526 -22.148 20.723 1.00 24.25 C +ATOM 1680 CG1 VAL A 233 4.096 -21.069 21.706 1.00 26.04 C +ATOM 1681 CG2 VAL A 233 6.047 -22.357 20.781 1.00 23.27 C +ATOM 1682 N VAL A 234 1.702 -23.549 22.251 1.00 22.59 N +ATOM 1683 CA VAL A 234 0.259 -23.370 22.479 1.00 21.94 C +ATOM 1684 C VAL A 234 -0.080 -21.863 22.581 1.00 22.81 C +ATOM 1685 O VAL A 234 0.110 -21.244 23.638 1.00 23.36 O +ATOM 1686 CB VAL A 234 -0.198 -24.117 23.754 1.00 21.50 C +ATOM 1687 CG1 VAL A 234 -1.688 -23.874 24.022 1.00 21.15 C +ATOM 1688 CG2 VAL A 234 0.062 -25.624 23.656 1.00 20.14 C +ATOM 1689 N THR A 235 -0.601 -21.290 21.493 1.00 24.23 N +ATOM 1690 CA THR A 235 -0.846 -19.841 21.429 1.00 25.65 C +ATOM 1691 C THR A 235 -2.234 -19.375 21.910 1.00 26.45 C +ATOM 1692 O THR A 235 -2.426 -18.203 22.261 1.00 24.50 O +ATOM 1693 CB THR A 235 -0.572 -19.277 20.033 1.00 26.43 C +ATOM 1694 OG1 THR A 235 -1.341 -19.997 19.058 1.00 25.78 O +ATOM 1695 CG2 THR A 235 0.915 -19.405 19.710 1.00 26.22 C +ATOM 1696 N ASP A 236 -3.181 -20.295 21.925 1.00 27.10 N +ATOM 1697 CA ASP A 236 -4.551 -20.011 22.345 1.00 27.62 C +ATOM 1698 C ASP A 236 -5.155 -21.300 22.855 1.00 27.42 C +ATOM 1699 O ASP A 236 -4.792 -22.394 22.396 1.00 27.56 O +ATOM 1700 CB ASP A 236 -5.371 -19.482 21.173 1.00 27.24 C +ATOM 1701 CG ASP A 236 -5.226 -20.351 19.899 1.00 28.77 C +ATOM 1702 OD1 ASP A 236 -4.086 -20.538 19.392 1.00 30.64 O +ATOM 1703 OD2 ASP A 236 -6.258 -20.835 19.396 1.00 25.70 O +ATOM 1704 N LEU A 237 -6.074 -21.188 23.801 1.00 26.40 N +ATOM 1705 CA LEU A 237 -6.727 -22.373 24.315 1.00 26.78 C +ATOM 1706 C LEU A 237 -8.054 -22.604 23.561 1.00 26.19 C +ATOM 1707 O LEU A 237 -8.813 -21.672 23.256 1.00 24.55 O +ATOM 1708 CB LEU A 237 -6.915 -22.312 25.837 1.00 28.91 C +ATOM 1709 CG LEU A 237 -5.674 -22.144 26.749 1.00 30.21 C +ATOM 1710 CD1 LEU A 237 -6.063 -22.512 28.164 1.00 32.65 C +ATOM 1711 CD2 LEU A 237 -4.470 -22.991 26.336 1.00 28.98 C +ATOM 1712 N CYS A 238 -8.310 -23.854 23.242 1.00 26.31 N +ATOM 1713 CA CYS A 238 -9.491 -24.197 22.449 1.00 25.84 C +ATOM 1714 C CYS A 238 -10.450 -25.088 23.241 1.00 26.33 C +ATOM 1715 O CYS A 238 -10.623 -26.255 22.900 1.00 25.94 O +ATOM 1716 CB CYS A 238 -9.038 -24.878 21.151 1.00 25.59 C +ATOM 1717 SG CYS A 238 -7.804 -23.886 20.266 1.00 26.93 S +ATOM 1718 N LEU A 239 -11.055 -24.544 24.303 1.00 24.73 N +ATOM 1719 CA LEU A 239 -12.022 -25.315 25.096 1.00 24.76 C +ATOM 1720 C LEU A 239 -13.411 -24.943 24.608 1.00 24.41 C +ATOM 1721 O LEU A 239 -13.828 -23.809 24.781 1.00 26.52 O +ATOM 1722 CB LEU A 239 -11.856 -25.053 26.609 1.00 24.55 C +ATOM 1723 CG LEU A 239 -10.407 -25.070 27.111 1.00 26.00 C +ATOM 1724 CD1 LEU A 239 -10.233 -24.435 28.498 1.00 26.48 C +ATOM 1725 CD2 LEU A 239 -9.821 -26.472 27.086 1.00 26.35 C +ATOM 1726 N PRO A 240 -14.107 -25.875 23.934 1.00 23.73 N +ATOM 1727 CA PRO A 240 -15.355 -25.450 23.265 1.00 23.45 C +ATOM 1728 C PRO A 240 -16.458 -24.938 24.196 1.00 24.88 C +ATOM 1729 O PRO A 240 -17.327 -24.192 23.777 1.00 25.58 O +ATOM 1730 CB PRO A 240 -15.814 -26.705 22.503 1.00 22.26 C +ATOM 1731 CG PRO A 240 -14.865 -27.805 22.871 1.00 22.88 C +ATOM 1732 CD PRO A 240 -13.623 -27.174 23.429 1.00 24.08 C +ATOM 1733 N ASP A 241 -16.422 -25.306 25.468 1.00 26.89 N +ATOM 1734 CA ASP A 241 -17.452 -24.841 26.362 1.00 29.55 C +ATOM 1735 C ASP A 241 -17.104 -23.538 27.070 1.00 30.95 C +ATOM 1736 O ASP A 241 -17.911 -23.024 27.839 1.00 32.14 O +ATOM 1737 CB ASP A 241 -17.839 -25.949 27.329 1.00 34.19 C +ATOM 1738 CG ASP A 241 -18.758 -26.972 26.681 1.00 37.76 C +ATOM 1739 OD1 ASP A 241 -19.760 -26.570 26.025 1.00 37.00 O +ATOM 1740 OD2 ASP A 241 -18.468 -28.174 26.815 1.00 38.00 O +ATOM 1741 N ALA A 242 -15.916 -23.006 26.793 1.00 29.97 N +ATOM 1742 CA ALA A 242 -15.541 -21.677 27.231 1.00 33.11 C +ATOM 1743 C ALA A 242 -14.572 -21.092 26.200 1.00 32.57 C +ATOM 1744 O ALA A 242 -13.398 -20.854 26.501 1.00 31.49 O +ATOM 1745 CB ALA A 242 -14.880 -21.762 28.601 1.00 34.35 C +ATOM 1746 N LEU A 243 -15.053 -20.901 24.976 1.00 31.70 N +ATOM 1747 CA LEU A 243 -14.195 -20.485 23.866 1.00 30.90 C +ATOM 1748 C LEU A 243 -14.327 -18.973 23.602 1.00 31.54 C +ATOM 1749 O LEU A 243 -15.415 -18.481 23.312 1.00 30.20 O +ATOM 1750 CB LEU A 243 -14.523 -21.287 22.589 1.00 28.02 C +ATOM 1751 CG LEU A 243 -13.693 -20.970 21.337 1.00 26.68 C +ATOM 1752 CD1 LEU A 243 -12.210 -21.257 21.554 1.00 27.23 C +ATOM 1753 CD2 LEU A 243 -14.186 -21.726 20.119 1.00 24.19 C +ATOM 1754 N GLU A 244 -13.216 -18.251 23.703 1.00 31.94 N +ATOM 1755 CA GLU A 244 -13.207 -16.797 23.464 1.00 36.02 C +ATOM 1756 C GLU A 244 -12.716 -16.487 22.040 1.00 33.27 C +ATOM 1757 O GLU A 244 -11.935 -17.257 21.487 1.00 30.38 O +ATOM 1758 CB GLU A 244 -12.329 -16.088 24.506 1.00 39.96 C +ATOM 1759 CG GLU A 244 -12.947 -15.999 25.901 1.00 44.90 C +ATOM 1760 CD GLU A 244 -14.084 -14.986 25.978 1.00 52.16 C +ATOM 1761 OE1 GLU A 244 -13.819 -13.762 25.927 1.00 56.59 O +ATOM 1762 OE2 GLU A 244 -15.254 -15.411 26.087 1.00 56.00 O +ATOM 1763 N PRO A 245 -13.176 -15.366 21.439 1.00 35.55 N +ATOM 1764 CA PRO A 245 -12.639 -14.993 20.114 1.00 35.83 C +ATOM 1765 C PRO A 245 -11.110 -14.845 20.126 1.00 34.47 C +ATOM 1766 O PRO A 245 -10.542 -14.353 21.090 1.00 34.20 O +ATOM 1767 CB PRO A 245 -13.317 -13.644 19.813 1.00 38.98 C +ATOM 1768 CG PRO A 245 -13.838 -13.158 21.132 1.00 40.32 C +ATOM 1769 CD PRO A 245 -14.191 -14.398 21.908 1.00 38.92 C +ATOM 1770 N VAL A 246 -10.463 -15.315 19.069 1.00 35.21 N +ATOM 1771 CA VAL A 246 -9.012 -15.240 18.953 1.00 37.05 C +ATOM 1772 C VAL A 246 -8.687 -14.162 17.937 1.00 40.25 C +ATOM 1773 O VAL A 246 -9.323 -14.105 16.873 1.00 42.06 O +ATOM 1774 CB VAL A 246 -8.426 -16.578 18.439 1.00 37.99 C +ATOM 1775 CG1 VAL A 246 -7.006 -16.404 17.904 1.00 39.67 C +ATOM 1776 CG2 VAL A 246 -8.450 -17.638 19.517 1.00 39.08 C +ATOM 1777 N GLU A 247 -7.704 -13.319 18.248 1.00 40.85 N +ATOM 1778 CA GLU A 247 -7.165 -12.380 17.250 1.00 45.16 C +ATOM 1779 C GLU A 247 -5.645 -12.515 17.073 1.00 44.72 C +ATOM 1780 O GLU A 247 -4.898 -12.703 18.050 1.00 41.85 O +ATOM 1781 CB GLU A 247 -7.583 -10.928 17.542 1.00 48.52 C +ATOM 1782 CG GLU A 247 -9.062 -10.674 17.254 1.00 51.38 C +ATOM 1783 CD GLU A 247 -9.473 -9.214 17.374 1.00 56.52 C +ATOM 1784 OE1 GLU A 247 -8.589 -8.340 17.487 1.00 58.12 O +ATOM 1785 OE2 GLU A 247 -10.695 -8.939 17.348 1.00 58.27 O +ATOM 1786 N LEU A 248 -5.211 -12.419 15.813 1.00 44.45 N +ATOM 1787 CA LEU A 248 -3.825 -12.655 15.422 1.00 43.85 C +ATOM 1788 C LEU A 248 -2.788 -12.014 16.356 1.00 43.02 C +ATOM 1789 O LEU A 248 -1.781 -12.638 16.669 1.00 41.39 O +ATOM 1790 CB LEU A 248 -3.592 -12.235 13.968 1.00 45.28 C +ATOM 1791 CG LEU A 248 -2.171 -12.377 13.392 1.00 44.46 C +ATOM 1792 CD1 LEU A 248 -1.781 -13.834 13.176 1.00 43.59 C +ATOM 1793 CD2 LEU A 248 -2.052 -11.578 12.103 1.00 43.11 C +ATOM 1794 N ASN A 249 -3.040 -10.791 16.812 1.00 45.36 N +ATOM 1795 CA ASN A 249 -2.065 -10.094 17.662 1.00 46.20 C +ATOM 1796 C ASN A 249 -1.845 -10.700 19.029 1.00 45.94 C +ATOM 1797 O ASN A 249 -0.720 -10.681 19.532 1.00 44.38 O +ATOM 1798 CB ASN A 249 -2.370 -8.600 17.779 1.00 48.00 C +ATOM 1799 CG ASN A 249 -1.709 -7.794 16.678 1.00 53.05 C +ATOM 1800 OD1 ASN A 249 -0.480 -7.799 16.538 1.00 54.02 O +ATOM 1801 ND2 ASN A 249 -2.521 -7.100 15.881 1.00 55.30 N +ATOM 1802 N LYS A 250 -2.908 -11.241 19.625 1.00 45.93 N +ATOM 1803 CA LYS A 250 -2.787 -11.992 20.884 1.00 46.48 C +ATOM 1804 C LYS A 250 -1.966 -13.268 20.690 1.00 41.63 C +ATOM 1805 O LYS A 250 -1.116 -13.602 21.523 1.00 40.36 O +ATOM 1806 CB LYS A 250 -4.171 -12.339 21.462 1.00 49.21 C +ATOM 1807 CG LYS A 250 -4.936 -11.146 22.038 1.00 53.22 C +ATOM 1808 CD LYS A 250 -4.161 -10.435 23.151 1.00 54.71 C +ATOM 1809 CE LYS A 250 -4.313 -11.130 24.502 1.00 54.45 C +ATOM 1810 NZ LYS A 250 -3.514 -10.472 25.573 1.00 54.59 N +ATOM 1811 N ILE A 251 -2.250 -13.970 19.588 1.00 37.80 N +ATOM 1812 CA ILE A 251 -1.520 -15.165 19.164 1.00 36.24 C +ATOM 1813 C ILE A 251 -0.004 -14.898 19.105 1.00 35.46 C +ATOM 1814 O ILE A 251 0.790 -15.665 19.670 1.00 32.96 O +ATOM 1815 CB ILE A 251 -2.037 -15.656 17.783 1.00 34.90 C +ATOM 1816 CG1 ILE A 251 -3.480 -16.208 17.875 1.00 34.96 C +ATOM 1817 CG2 ILE A 251 -1.106 -16.681 17.150 1.00 34.79 C +ATOM 1818 CD1 ILE A 251 -3.771 -17.039 19.112 1.00 34.68 C +ATOM 1819 N LEU A 252 0.380 -13.814 18.426 1.00 33.71 N +ATOM 1820 CA LEU A 252 1.796 -13.471 18.249 1.00 34.65 C +ATOM 1821 C LEU A 252 2.463 -13.154 19.603 1.00 35.74 C +ATOM 1822 O LEU A 252 3.618 -13.519 19.838 1.00 37.08 O +ATOM 1823 CB LEU A 252 1.965 -12.309 17.249 1.00 35.92 C +ATOM 1824 CG LEU A 252 1.502 -12.534 15.795 1.00 36.46 C +ATOM 1825 CD1 LEU A 252 1.550 -11.243 14.987 1.00 35.76 C +ATOM 1826 CD2 LEU A 252 2.297 -13.624 15.085 1.00 35.69 C +ATOM 1827 N GLU A 253 1.723 -12.505 20.498 1.00 35.17 N +ATOM 1828 CA GLU A 253 2.222 -12.213 21.849 1.00 37.98 C +ATOM 1829 C GLU A 253 2.547 -13.480 22.654 1.00 37.77 C +ATOM 1830 O GLU A 253 3.605 -13.580 23.290 1.00 35.97 O +ATOM 1831 CB GLU A 253 1.186 -11.391 22.599 1.00 43.26 C +ATOM 1832 CG GLU A 253 1.709 -10.689 23.837 1.00 50.89 C +ATOM 1833 CD GLU A 253 1.051 -9.334 24.049 1.00 59.75 C +ATOM 1834 OE1 GLU A 253 0.081 -9.009 23.317 1.00 58.59 O +ATOM 1835 OE2 GLU A 253 1.516 -8.590 24.947 1.00 64.49 O +ATOM 1836 N VAL A 254 1.625 -14.443 22.629 1.00 36.52 N +ATOM 1837 CA VAL A 254 1.790 -15.695 23.375 1.00 35.98 C +ATOM 1838 C VAL A 254 2.843 -16.579 22.703 1.00 34.49 C +ATOM 1839 O VAL A 254 3.603 -17.260 23.394 1.00 36.00 O +ATOM 1840 CB VAL A 254 0.438 -16.444 23.569 1.00 34.67 C +ATOM 1841 CG1 VAL A 254 0.657 -17.779 24.270 1.00 32.38 C +ATOM 1842 CG2 VAL A 254 -0.525 -15.596 24.401 1.00 35.96 C +ATOM 1843 N ALA A 255 2.900 -16.538 21.370 1.00 33.42 N +ATOM 1844 CA ALA A 255 3.953 -17.219 20.588 1.00 34.98 C +ATOM 1845 C ALA A 255 5.368 -16.750 20.958 1.00 33.88 C +ATOM 1846 O ALA A 255 6.310 -17.553 20.990 1.00 32.18 O +ATOM 1847 CB ALA A 255 3.729 -17.035 19.095 1.00 34.52 C +ATOM 1848 N ALA A 256 5.504 -15.453 21.216 1.00 34.68 N +ATOM 1849 CA ALA A 256 6.777 -14.862 21.660 1.00 36.44 C +ATOM 1850 C ALA A 256 7.242 -15.425 23.015 1.00 37.62 C +ATOM 1851 O ALA A 256 8.422 -15.732 23.184 1.00 37.90 O +ATOM 1852 CB ALA A 256 6.664 -13.339 21.715 1.00 36.20 C +ATOM 1853 N ARG A 257 6.320 -15.567 23.969 1.00 37.65 N +ATOM 1854 CA ARG A 257 6.649 -16.153 25.281 1.00 39.92 C +ATOM 1855 C ARG A 257 7.052 -17.625 25.165 1.00 36.81 C +ATOM 1856 O ARG A 257 7.954 -18.085 25.871 1.00 35.99 O +ATOM 1857 CB ARG A 257 5.488 -16.004 26.272 1.00 44.95 C +ATOM 1858 CG ARG A 257 5.205 -14.562 26.693 1.00 52.54 C +ATOM 1859 CD ARG A 257 4.396 -14.467 27.984 1.00 60.18 C +ATOM 1860 NE ARG A 257 3.048 -15.036 27.865 1.00 64.59 N +ATOM 1861 CZ ARG A 257 2.594 -16.066 28.579 1.00 65.59 C +ATOM 1862 NH1 ARG A 257 3.370 -16.655 29.489 1.00 65.93 N +ATOM 1863 NH2 ARG A 257 1.354 -16.503 28.391 1.00 60.88 N +ATOM 1864 N GLY A 258 6.375 -18.367 24.284 1.00 32.95 N +ATOM 1865 CA GLY A 258 6.768 -19.741 23.997 1.00 29.14 C +ATOM 1866 C GLY A 258 8.112 -19.752 23.276 1.00 29.28 C +ATOM 1867 O GLY A 258 8.965 -20.607 23.540 1.00 28.23 O +ATOM 1868 N GLY A 259 8.291 -18.799 22.356 1.00 29.56 N +ATOM 1869 CA GLY A 259 9.537 -18.631 21.610 1.00 27.59 C +ATOM 1870 C GLY A 259 10.727 -18.382 22.523 1.00 28.49 C +ATOM 1871 O GLY A 259 11.801 -18.903 22.296 1.00 29.28 O +ATOM 1872 N ALA A 260 10.523 -17.609 23.580 1.00 30.53 N +ATOM 1873 CA ALA A 260 11.578 -17.384 24.576 1.00 32.31 C +ATOM 1874 C ALA A 260 12.058 -18.732 25.130 1.00 32.33 C +ATOM 1875 O ALA A 260 13.249 -18.927 25.324 1.00 32.60 O +ATOM 1876 CB ALA A 260 11.079 -16.481 25.690 1.00 32.62 C +ATOM 1877 N LYS A 261 11.130 -19.675 25.328 1.00 30.35 N +ATOM 1878 CA LYS A 261 11.476 -20.982 25.911 1.00 29.56 C +ATOM 1879 C LYS A 261 12.258 -21.866 24.927 1.00 28.95 C +ATOM 1880 O LYS A 261 13.221 -22.534 25.305 1.00 29.42 O +ATOM 1881 CB LYS A 261 10.223 -21.718 26.390 1.00 28.46 C +ATOM 1882 CG LYS A 261 9.409 -20.987 27.443 1.00 29.20 C +ATOM 1883 CD LYS A 261 8.090 -21.712 27.718 1.00 29.75 C +ATOM 1884 CE LYS A 261 7.190 -20.882 28.619 1.00 30.41 C +ATOM 1885 NZ LYS A 261 5.871 -21.522 28.854 1.00 30.73 N +ATOM 1886 N LEU A 262 11.842 -21.859 23.666 1.00 27.16 N +ATOM 1887 CA LEU A 262 12.582 -22.549 22.604 1.00 28.28 C +ATOM 1888 C LEU A 262 13.963 -21.959 22.393 1.00 30.88 C +ATOM 1889 O LEU A 262 14.893 -22.673 22.047 1.00 31.50 O +ATOM 1890 CB LEU A 262 11.803 -22.540 21.279 1.00 27.41 C +ATOM 1891 CG LEU A 262 10.568 -23.457 21.202 1.00 26.62 C +ATOM 1892 CD1 LEU A 262 9.775 -23.229 19.911 1.00 27.74 C +ATOM 1893 CD2 LEU A 262 10.975 -24.920 21.330 1.00 25.61 C +ATOM 1894 N ALA A 263 14.103 -20.657 22.619 1.00 31.71 N +ATOM 1895 CA ALA A 263 15.409 -20.023 22.513 1.00 32.46 C +ATOM 1896 C ALA A 263 16.375 -20.545 23.584 1.00 33.63 C +ATOM 1897 O ALA A 263 17.596 -20.436 23.420 1.00 35.11 O +ATOM 1898 CB ALA A 263 15.270 -18.511 22.578 1.00 32.97 C +ATOM 1899 N ARG A 264 15.838 -21.115 24.669 1.00 32.62 N +ATOM 1900 CA ARG A 264 16.678 -21.717 25.696 1.00 33.48 C +ATOM 1901 C ARG A 264 16.938 -23.182 25.325 1.00 31.43 C +ATOM 1902 O ARG A 264 18.091 -23.662 25.362 1.00 30.01 O +ATOM 1903 CB ARG A 264 16.043 -21.597 27.104 1.00 34.85 C +ATOM 1904 CG ARG A 264 16.027 -20.205 27.731 1.00 36.96 C +ATOM 1905 CD ARG A 264 15.297 -20.211 29.080 1.00 39.13 C +ATOM 1906 NE ARG A 264 16.114 -20.811 30.142 1.00 42.54 N +ATOM 1907 CZ ARG A 264 15.657 -21.327 31.289 1.00 44.59 C +ATOM 1908 NH1 ARG A 264 14.355 -21.336 31.575 1.00 41.93 N +ATOM 1909 NH2 ARG A 264 16.524 -21.835 32.169 1.00 45.32 N +ATOM 1910 N LEU A 265 15.869 -23.867 24.913 1.00 29.72 N +ATOM 1911 CA LEU A 265 15.871 -25.312 24.664 1.00 28.90 C +ATOM 1912 C LEU A 265 16.697 -25.705 23.451 1.00 29.14 C +ATOM 1913 O LEU A 265 17.548 -26.603 23.521 1.00 28.89 O +ATOM 1914 CB LEU A 265 14.436 -25.822 24.444 1.00 28.07 C +ATOM 1915 CG LEU A 265 13.483 -25.808 25.623 1.00 27.28 C +ATOM 1916 CD1 LEU A 265 12.043 -25.909 25.114 1.00 27.44 C +ATOM 1917 CD2 LEU A 265 13.797 -26.935 26.600 1.00 25.65 C +ATOM 1918 N ILE A 266 16.443 -25.038 22.331 1.00 28.66 N +ATOM 1919 CA ILE A 266 17.042 -25.464 21.076 1.00 28.23 C +ATOM 1920 C ILE A 266 18.606 -25.453 21.090 1.00 27.62 C +ATOM 1921 O ILE A 266 19.223 -26.406 20.614 1.00 27.83 O +ATOM 1922 CB ILE A 266 16.466 -24.690 19.854 1.00 28.55 C +ATOM 1923 CG1 ILE A 266 14.988 -25.049 19.640 1.00 30.49 C +ATOM 1924 CG2 ILE A 266 17.239 -25.017 18.589 1.00 27.27 C +ATOM 1925 CD1 ILE A 266 14.231 -24.047 18.788 1.00 30.51 C +ATOM 1926 N PRO A 267 19.233 -24.380 21.586 1.00 28.49 N +ATOM 1927 CA PRO A 267 20.707 -24.406 21.637 1.00 30.88 C +ATOM 1928 C PRO A 267 21.294 -25.497 22.519 1.00 32.60 C +ATOM 1929 O PRO A 267 22.411 -25.955 22.250 1.00 35.53 O +ATOM 1930 CB PRO A 267 21.056 -23.026 22.194 1.00 30.45 C +ATOM 1931 CG PRO A 267 19.943 -22.182 21.670 1.00 30.51 C +ATOM 1932 CD PRO A 267 18.732 -23.035 21.899 1.00 28.81 C +ATOM 1933 N GLU A 268 20.582 -25.897 23.574 1.00 31.11 N +ATOM 1934 CA GLU A 268 21.076 -26.989 24.401 1.00 31.15 C +ATOM 1935 C GLU A 268 20.823 -28.322 23.734 1.00 30.20 C +ATOM 1936 O GLU A 268 21.606 -29.266 23.889 1.00 29.75 O +ATOM 1937 CB GLU A 268 20.471 -26.959 25.799 1.00 33.33 C +ATOM 1938 CG GLU A 268 20.815 -25.716 26.600 1.00 36.22 C +ATOM 1939 CD GLU A 268 22.244 -25.721 27.101 1.00 43.40 C +ATOM 1940 OE1 GLU A 268 22.757 -24.624 27.407 1.00 46.09 O +ATOM 1941 OE2 GLU A 268 22.856 -26.810 27.190 1.00 45.57 O +ATOM 1942 N ILE A 269 19.737 -28.398 22.969 1.00 29.13 N +ATOM 1943 CA ILE A 269 19.377 -29.641 22.299 1.00 27.68 C +ATOM 1944 C ILE A 269 20.309 -30.027 21.147 1.00 27.22 C +ATOM 1945 O ILE A 269 20.700 -31.193 21.033 1.00 26.13 O +ATOM 1946 CB ILE A 269 17.901 -29.613 21.813 1.00 26.60 C +ATOM 1947 CG1 ILE A 269 16.948 -29.728 23.011 1.00 26.78 C +ATOM 1948 CG2 ILE A 269 17.664 -30.710 20.783 1.00 26.26 C +ATOM 1949 CD1 ILE A 269 15.504 -29.335 22.692 1.00 28.66 C +ATOM 1950 N LEU A 270 20.634 -29.064 20.278 1.00 29.52 N +ATOM 1951 CA LEU A 270 21.388 -29.349 19.041 1.00 31.09 C +ATOM 1952 C LEU A 270 22.703 -30.125 19.211 1.00 30.77 C +ATOM 1953 O LEU A 270 22.930 -31.077 18.479 1.00 30.29 O +ATOM 1954 CB LEU A 270 21.609 -28.097 18.178 1.00 34.56 C +ATOM 1955 CG LEU A 270 20.394 -27.530 17.436 1.00 38.32 C +ATOM 1956 CD1 LEU A 270 20.874 -26.599 16.338 1.00 42.26 C +ATOM 1957 CD2 LEU A 270 19.471 -28.600 16.863 1.00 38.85 C +ATOM 1958 N PRO A 271 23.567 -29.733 20.176 1.00 32.72 N +ATOM 1959 CA PRO A 271 24.825 -30.488 20.339 1.00 33.77 C +ATOM 1960 C PRO A 271 24.586 -31.922 20.806 1.00 34.58 C +ATOM 1961 O PRO A 271 25.428 -32.793 20.602 1.00 34.34 O +ATOM 1962 CB PRO A 271 25.548 -29.732 21.455 1.00 32.70 C +ATOM 1963 CG PRO A 271 24.943 -28.384 21.464 1.00 32.95 C +ATOM 1964 CD PRO A 271 23.506 -28.584 21.097 1.00 31.64 C +ATOM 1965 N ARG A 272 23.445 -32.145 21.450 1.00 34.39 N +ATOM 1966 CA ARG A 272 23.111 -33.443 22.029 1.00 33.02 C +ATOM 1967 C ARG A 272 22.440 -34.401 21.022 1.00 35.31 C +ATOM 1968 O ARG A 272 22.378 -35.608 21.266 1.00 39.42 O +ATOM 1969 CB ARG A 272 22.224 -33.245 23.263 1.00 31.68 C +ATOM 1970 CG ARG A 272 22.917 -32.597 24.460 1.00 30.94 C +ATOM 1971 CD ARG A 272 22.035 -32.624 25.703 1.00 30.25 C +ATOM 1972 NE ARG A 272 22.536 -31.692 26.713 1.00 31.77 N +ATOM 1973 CZ ARG A 272 22.126 -31.634 27.983 1.00 32.06 C +ATOM 1974 NH1 ARG A 272 21.196 -32.461 28.437 1.00 31.88 N +ATOM 1975 NH2 ARG A 272 22.661 -30.744 28.817 1.00 31.67 N +ATOM 1976 N ILE A 273 21.942 -33.876 19.903 1.00 34.59 N +ATOM 1977 CA ILE A 273 21.329 -34.722 18.858 1.00 37.39 C +ATOM 1978 C ILE A 273 22.148 -34.862 17.557 1.00 42.60 C +ATOM 1979 O ILE A 273 21.783 -35.644 16.672 1.00 44.00 O +ATOM 1980 CB ILE A 273 19.887 -34.256 18.491 1.00 34.22 C +ATOM 1981 CG1 ILE A 273 19.918 -32.958 17.669 1.00 34.28 C +ATOM 1982 CG2 ILE A 273 19.009 -34.120 19.746 1.00 33.42 C +ATOM 1983 CD1 ILE A 273 18.558 -32.354 17.389 1.00 34.36 C +ATOM 1984 N ALA A 274 23.228 -34.095 17.424 1.00 47.17 N +ATOM 1985 CA ALA A 274 24.056 -34.162 16.208 1.00 54.65 C +ATOM 1986 C ALA A 274 25.534 -34.413 16.512 1.00 58.90 C +ATOM 1987 O ALA A 274 25.973 -35.563 16.608 1.00 60.49 O +ATOM 1988 CB ALA A 274 23.883 -32.903 15.366 1.00 54.25 C +TER 1989 ALA A 274 +END diff --git a/bench/main_benchmark/structures/SFB_FS_RFAH_5ONDA_6C6SD/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_RFAH_5ONDA_6C6SD/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6cbd60e8c91db8481a2d540bffc1b75081e8baa0 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_RFAH_5ONDA_6C6SD/state_a.pdb @@ -0,0 +1,2164 @@ +ATOM 1 N MET A 1 -22.762 -3.190 -6.573 1.00 61.14 N +ATOM 2 CA MET A 1 -22.107 -3.797 -7.782 1.00 62.37 C +ATOM 3 C MET A 1 -22.976 -3.394 -8.978 1.00 57.30 C +ATOM 4 O MET A 1 -24.120 -2.930 -8.767 1.00 46.07 O +ATOM 5 CB MET A 1 -21.999 -5.331 -7.665 1.00 61.48 C +ATOM 6 CG MET A 1 -23.346 -6.019 -7.283 1.00 66.97 C +ATOM 7 SD MET A 1 -23.419 -7.822 -7.533 1.00105.40 S +ATOM 8 CE MET A 1 -24.206 -8.012 -9.170 1.00 77.24 C +ATOM 9 H1 MET A 1 -22.673 -3.740 -5.880 1.00 73.37 H +ATOM 10 H2 MET A 1 -22.374 -2.411 -6.385 1.00 73.37 H +ATOM 11 H3 MET A 1 -23.626 -3.058 -6.739 1.00 73.37 H +ATOM 12 HA MET A 1 -21.215 -3.431 -7.889 1.00 74.84 H +ATOM 13 HB2 MET A 1 -21.712 -5.691 -8.519 1.00 73.78 H +ATOM 14 HB3 MET A 1 -21.349 -5.548 -6.979 1.00 73.78 H +ATOM 15 HG2 MET A 1 -23.519 -5.850 -6.344 1.00 80.37 H +ATOM 16 HG3 MET A 1 -24.053 -5.624 -7.817 1.00 80.37 H +ATOM 17 HE1 MET A 1 -24.281 -8.957 -9.376 1.00 92.69 H +ATOM 18 HE2 MET A 1 -25.087 -7.607 -9.144 1.00 92.69 H +ATOM 19 HE3 MET A 1 -23.657 -7.570 -9.836 1.00 92.69 H +ATOM 20 N GLN A 2 -22.435 -3.527 -10.198 1.00 50.36 N +ATOM 21 CA GLN A 2 -23.253 -3.429 -11.408 1.00 48.77 C +ATOM 22 C GLN A 2 -24.455 -4.321 -11.275 1.00 41.83 C +ATOM 23 O GLN A 2 -24.301 -5.543 -11.131 1.00 45.52 O +ATOM 24 CB GLN A 2 -22.480 -3.863 -12.666 1.00 45.08 C +ATOM 25 CG GLN A 2 -21.435 -2.869 -13.214 1.00 57.09 C +ATOM 26 CD GLN A 2 -22.051 -1.613 -13.803 1.00 52.15 C +ATOM 27 OE1 GLN A 2 -22.610 -0.807 -13.076 1.00 59.45 O +ATOM 28 NE2 GLN A 2 -21.930 -1.427 -15.108 1.00 53.53 N +ATOM 29 H GLN A 2 -21.601 -3.673 -10.348 1.00 60.43 H +ATOM 30 HA GLN A 2 -23.554 -2.514 -11.527 1.00 58.52 H +ATOM 31 HB2 GLN A 2 -22.012 -4.688 -12.463 1.00 54.10 H +ATOM 32 HB3 GLN A 2 -23.122 -4.025 -13.374 1.00 54.10 H +ATOM 33 HG2 GLN A 2 -20.846 -2.602 -12.491 1.00 68.50 H +ATOM 34 HG3 GLN A 2 -20.923 -3.305 -13.913 1.00 68.50 H +ATOM 35 HE21 GLN A 2 -21.526 -2.013 -15.591 1.00 64.24 H +ATOM 36 HE22 GLN A 2 -22.265 -0.725 -15.475 1.00 64.24 H +ATOM 37 N SER A 3 -25.646 -3.712 -11.418 1.00 33.98 N +ATOM 38 CA SER A 3 -26.917 -4.425 -11.561 1.00 36.21 C +ATOM 39 C SER A 3 -27.712 -3.858 -12.723 1.00 35.02 C +ATOM 40 O SER A 3 -27.507 -2.721 -13.162 1.00 33.24 O +ATOM 41 CB SER A 3 -27.782 -4.313 -10.302 1.00 36.66 C +ATOM 42 OG SER A 3 -26.996 -4.702 -9.227 1.00 40.23 O +ATOM 43 H SER A 3 -25.738 -2.857 -11.434 1.00 40.78 H +ATOM 44 HA SER A 3 -26.745 -5.364 -11.735 1.00 43.45 H +ATOM 45 HB2 SER A 3 -28.068 -3.394 -10.182 1.00 44.00 H +ATOM 46 HB3 SER A 3 -28.547 -4.904 -10.377 1.00 44.00 H +ATOM 47 HG SER A 3 -27.439 -4.653 -8.515 1.00 48.28 H +ATOM 48 N TRP A 4 -28.643 -4.672 -13.187 1.00 36.83 N +ATOM 49 CA TRP A 4 -29.563 -4.309 -14.247 1.00 34.57 C +ATOM 50 C TRP A 4 -30.892 -3.897 -13.641 1.00 38.00 C +ATOM 51 O TRP A 4 -31.391 -4.561 -12.722 1.00 39.34 O +ATOM 52 CB TRP A 4 -29.802 -5.485 -15.191 1.00 38.77 C +ATOM 53 CG TRP A 4 -28.682 -5.731 -16.115 1.00 36.01 C +ATOM 54 CD1 TRP A 4 -27.639 -6.618 -15.945 1.00 40.53 C +ATOM 55 CD2 TRP A 4 -28.450 -5.062 -17.344 1.00 33.15 C +ATOM 56 NE1 TRP A 4 -26.795 -6.539 -17.015 1.00 47.88 N +ATOM 57 CE2 TRP A 4 -27.266 -5.593 -17.892 1.00 39.84 C +ATOM 58 CE3 TRP A 4 -29.114 -4.049 -18.031 1.00 33.41 C +ATOM 59 CZ2 TRP A 4 -26.743 -5.153 -19.102 1.00 41.52 C +ATOM 60 CZ3 TRP A 4 -28.615 -3.637 -19.255 1.00 35.04 C +ATOM 61 CH2 TRP A 4 -27.431 -4.180 -19.771 1.00 40.35 C +ATOM 62 H TRP A 4 -28.765 -5.470 -12.891 1.00 44.19 H +ATOM 63 HA TRP A 4 -29.204 -3.565 -14.756 1.00 41.48 H +ATOM 64 HB2 TRP A 4 -29.935 -6.288 -14.663 1.00 46.53 H +ATOM 65 HB3 TRP A 4 -30.593 -5.304 -15.722 1.00 46.53 H +ATOM 66 HD1 TRP A 4 -27.537 -7.193 -15.222 1.00 48.63 H +ATOM 67 HE1 TRP A 4 -26.084 -7.010 -17.124 1.00 57.46 H +ATOM 68 HE3 TRP A 4 -29.906 -3.693 -17.698 1.00 40.10 H +ATOM 69 HZ2 TRP A 4 -25.962 -5.519 -19.451 1.00 49.83 H +ATOM 70 HZ3 TRP A 4 -29.054 -2.966 -19.726 1.00 42.04 H +ATOM 71 HH2 TRP A 4 -27.106 -3.873 -20.587 1.00 48.42 H +ATOM 72 N TYR A 5 -31.462 -2.819 -14.186 1.00 30.74 N +ATOM 73 CA TYR A 5 -32.788 -2.321 -13.861 1.00 30.90 C +ATOM 74 C TYR A 5 -33.597 -2.183 -15.133 1.00 32.50 C +ATOM 75 O TYR A 5 -33.086 -2.351 -16.229 1.00 29.48 O +ATOM 76 CB TYR A 5 -32.716 -0.962 -13.197 1.00 32.71 C +ATOM 77 CG TYR A 5 -31.897 -1.017 -11.958 1.00 31.37 C +ATOM 78 CD1 TYR A 5 -30.522 -1.002 -12.014 1.00 32.57 C +ATOM 79 CD2 TYR A 5 -32.507 -1.133 -10.708 1.00 35.68 C +ATOM 80 CE1 TYR A 5 -29.751 -1.062 -10.845 1.00 29.58 C +ATOM 81 CE2 TYR A 5 -31.735 -1.214 -9.535 1.00 33.46 C +ATOM 82 CZ TYR A 5 -30.377 -1.180 -9.617 1.00 37.26 C +ATOM 83 OH TYR A 5 -29.633 -1.239 -8.436 1.00 42.84 O +ATOM 84 H TYR A 5 -31.070 -2.337 -14.781 1.00 36.89 H +ATOM 85 HA TYR A 5 -33.239 -2.941 -13.265 1.00 37.08 H +ATOM 86 HB2 TYR A 5 -32.306 -0.328 -13.807 1.00 39.25 H +ATOM 87 HB3 TYR A 5 -33.610 -0.672 -12.960 1.00 39.25 H +ATOM 88 HD1 TYR A 5 -30.099 -0.925 -12.838 1.00 39.08 H +ATOM 89 HD2 TYR A 5 -33.435 -1.161 -10.650 1.00 42.82 H +ATOM 90 HE1 TYR A 5 -28.823 -1.043 -10.896 1.00 35.49 H +ATOM 91 HE2 TYR A 5 -32.150 -1.280 -8.706 1.00 40.15 H +ATOM 92 HH TYR A 5 -30.147 -1.310 -7.775 1.00 51.41 H +ATOM 93 N LEU A 6 -34.874 -1.833 -14.974 1.00 29.73 N +ATOM 94 CA LEU A 6 -35.787 -1.666 -16.083 1.00 29.99 C +ATOM 95 C LEU A 6 -36.504 -0.338 -15.879 1.00 37.00 C +ATOM 96 O LEU A 6 -37.157 -0.131 -14.846 1.00 35.16 O +ATOM 97 CB LEU A 6 -36.775 -2.845 -16.141 1.00 32.50 C +ATOM 98 CG LEU A 6 -37.754 -2.822 -17.322 1.00 30.63 C +ATOM 99 CD1 LEU A 6 -36.999 -2.828 -18.682 1.00 27.89 C +ATOM 100 CD2 LEU A 6 -38.760 -3.985 -17.312 1.00 31.87 C +ATOM 101 H LEU A 6 -35.235 -1.684 -14.208 1.00 35.68 H +ATOM 102 HA LEU A 6 -35.291 -1.631 -16.916 1.00 35.99 H +ATOM 103 HB2 LEU A 6 -36.268 -3.669 -16.200 1.00 39.01 H +ATOM 104 HB3 LEU A 6 -37.302 -2.845 -15.326 1.00 39.01 H +ATOM 105 HG LEU A 6 -38.264 -1.998 -17.278 1.00 36.76 H +ATOM 106 HD11 LEU A 6 -37.649 -2.813 -19.402 1.00 33.46 H +ATOM 107 HD12 LEU A 6 -36.431 -2.044 -18.731 1.00 33.46 H +ATOM 108 HD13 LEU A 6 -36.460 -3.632 -18.739 1.00 33.46 H +ATOM 109 HD21 LEU A 6 -39.342 -3.904 -18.084 1.00 38.24 H +ATOM 110 HD22 LEU A 6 -38.273 -4.823 -17.351 1.00 38.24 H +ATOM 111 HD23 LEU A 6 -39.283 -3.943 -16.497 1.00 38.24 H +ATOM 112 N LEU A 7 -36.368 0.564 -16.840 1.00 28.78 N +ATOM 113 CA LEU A 7 -37.048 1.848 -16.793 1.00 35.36 C +ATOM 114 C LEU A 7 -38.132 1.931 -17.847 1.00 36.84 C +ATOM 115 O LEU A 7 -38.026 1.338 -18.920 1.00 38.65 O +ATOM 116 CB LEU A 7 -36.098 3.009 -17.056 1.00 31.76 C +ATOM 117 CG LEU A 7 -34.759 2.957 -16.386 1.00 35.00 C +ATOM 118 CD1 LEU A 7 -33.921 4.143 -16.863 1.00 40.19 C +ATOM 119 CD2 LEU A 7 -34.934 3.026 -14.912 1.00 42.28 C +ATOM 120 H LEU A 7 -35.880 0.454 -17.540 1.00 34.54 H +ATOM 121 HA LEU A 7 -37.453 1.970 -15.920 1.00 42.43 H +ATOM 122 HB2 LEU A 7 -35.938 3.056 -18.012 1.00 38.11 H +ATOM 123 HB3 LEU A 7 -36.533 3.826 -16.765 1.00 38.11 H +ATOM 124 HG LEU A 7 -34.302 2.132 -16.614 1.00 42.00 H +ATOM 125 HD11 LEU A 7 -33.054 4.111 -16.430 1.00 48.23 H +ATOM 126 HD12 LEU A 7 -33.813 4.087 -17.825 1.00 48.23 H +ATOM 127 HD13 LEU A 7 -34.378 4.966 -16.629 1.00 48.23 H +ATOM 128 HD21 LEU A 7 -34.062 2.992 -14.488 1.00 50.74 H +ATOM 129 HD22 LEU A 7 -35.380 3.858 -14.686 1.00 50.74 H +ATOM 130 HD23 LEU A 7 -35.473 2.273 -14.623 1.00 50.74 H +ATOM 131 N TYR A 8 -39.139 2.727 -17.544 1.00 32.56 N +ATOM 132 CA TYR A 8 -40.114 3.187 -18.512 1.00 41.15 C +ATOM 133 C TYR A 8 -39.732 4.588 -18.948 1.00 41.84 C +ATOM 134 O TYR A 8 -39.410 5.428 -18.107 1.00 39.51 O +ATOM 135 CB TYR A 8 -41.509 3.214 -17.899 1.00 39.79 C +ATOM 136 CG TYR A 8 -42.593 3.243 -18.972 1.00 41.61 C +ATOM 137 CD1 TYR A 8 -42.881 2.112 -19.698 1.00 39.95 C +ATOM 138 CD2 TYR A 8 -43.318 4.407 -19.248 1.00 48.91 C +ATOM 139 CE1 TYR A 8 -43.859 2.122 -20.691 1.00 49.65 C +ATOM 140 CE2 TYR A 8 -44.332 4.426 -20.227 1.00 42.65 C +ATOM 141 CZ TYR A 8 -44.584 3.276 -20.938 1.00 51.62 C +ATOM 142 OH TYR A 8 -45.556 3.243 -21.909 1.00 62.14 O +ATOM 143 H TYR A 8 -39.283 3.027 -16.751 1.00 39.08 H +ATOM 144 HA TYR A 8 -40.117 2.603 -19.287 1.00 49.38 H +ATOM 145 HB2 TYR A 8 -41.637 2.418 -17.360 1.00 47.74 H +ATOM 146 HB3 TYR A 8 -41.602 4.009 -17.351 1.00 47.74 H +ATOM 147 HD1 TYR A 8 -42.403 1.331 -19.537 1.00 47.94 H +ATOM 148 HD2 TYR A 8 -43.144 5.178 -18.758 1.00 58.70 H +ATOM 149 HE1 TYR A 8 -44.046 1.345 -21.167 1.00 59.58 H +ATOM 150 HE2 TYR A 8 -44.808 5.206 -20.401 1.00 51.18 H +ATOM 151 HH TYR A 8 -45.927 3.994 -21.970 1.00 74.56 H +ATOM 152 N CYS A 9 -39.813 4.863 -20.240 1.00 42.90 N +ATOM 153 CA CYS A 9 -39.444 6.178 -20.730 1.00 41.76 C +ATOM 154 C CYS A 9 -40.676 6.996 -21.037 1.00 41.45 C +ATOM 155 O CYS A 9 -41.742 6.453 -21.319 1.00 48.62 O +ATOM 156 CB CYS A 9 -38.587 6.080 -21.976 1.00 41.76 C +ATOM 157 SG CYS A 9 -36.974 5.369 -21.602 1.00 46.48 S +ATOM 158 H CYS A 9 -40.076 4.312 -20.847 1.00 51.48 H +ATOM 159 HA CYS A 9 -38.934 6.641 -20.047 1.00 50.11 H +ATOM 160 HB2 CYS A 9 -39.028 5.511 -22.626 1.00 50.11 H +ATOM 161 HB3 CYS A 9 -38.451 6.968 -22.343 1.00 50.11 H +ATOM 162 HG CYS A 9 -36.329 5.310 -22.613 1.00 55.77 H +ATOM 163 N LYS A 10 -40.527 8.316 -20.957 1.00 47.74 N +ATOM 164 CA LYS A 10 -41.621 9.211 -21.316 1.00 52.16 C +ATOM 165 C LYS A 10 -41.958 9.043 -22.794 1.00 57.00 C +ATOM 166 O LYS A 10 -41.089 8.722 -23.615 1.00 50.42 O +ATOM 167 CB LYS A 10 -41.239 10.667 -21.009 1.00 49.25 C +ATOM 168 CG LYS A 10 -41.049 10.938 -19.515 1.00 50.77 C +ATOM 169 CD LYS A 10 -40.817 12.416 -19.177 1.00 53.87 C +ATOM 170 CE LYS A 10 -42.109 13.155 -18.746 1.00 62.79 C +ATOM 171 NZ LYS A 10 -42.898 12.507 -17.620 1.00 72.27 N +ATOM 172 H LYS A 10 -39.809 8.715 -20.699 1.00 57.28 H +ATOM 173 HA LYS A 10 -42.408 8.984 -20.795 1.00 62.60 H +ATOM 174 HB2 LYS A 10 -40.405 10.875 -21.459 1.00 59.10 H +ATOM 175 HB3 LYS A 10 -41.943 11.252 -21.331 1.00 59.10 H +ATOM 176 HG2 LYS A 10 -41.844 10.647 -19.042 1.00 60.92 H +ATOM 177 HG3 LYS A 10 -40.279 10.438 -19.203 1.00 60.92 H +ATOM 178 HD2 LYS A 10 -40.182 12.476 -18.447 1.00 64.65 H +ATOM 179 HD3 LYS A 10 -40.464 12.866 -19.960 1.00 64.65 H +ATOM 180 HE2 LYS A 10 -41.868 14.048 -18.454 1.00 75.35 H +ATOM 181 HE3 LYS A 10 -42.698 13.214 -19.514 1.00 75.35 H +ATOM 182 HZ1 LYS A 10 -43.621 12.993 -17.436 1.00 86.73 H +ATOM 183 HZ2 LYS A 10 -43.153 11.689 -17.859 1.00 86.73 H +ATOM 184 HZ3 LYS A 10 -42.394 12.451 -16.888 1.00 86.73 H +ATOM 185 N ARG A 11 -43.231 9.268 -23.127 1.00 58.85 N +ATOM 186 CA ARG A 11 -43.746 9.023 -24.478 1.00 59.01 C +ATOM 187 C ARG A 11 -42.870 9.679 -25.536 1.00 59.39 C +ATOM 188 O ARG A 11 -42.701 10.904 -25.558 1.00 57.95 O +ATOM 189 CB ARG A 11 -45.183 9.539 -24.581 1.00 74.51 C +ATOM 190 CG ARG A 11 -45.785 9.480 -25.986 1.00 90.69 C +ATOM 191 CD ARG A 11 -47.337 9.571 -25.999 1.00103.78 C +ATOM 192 NE ARG A 11 -47.873 10.750 -25.308 1.00137.46 N +ATOM 193 CZ ARG A 11 -49.121 11.204 -25.440 1.00129.59 C +ATOM 194 NH1 ARG A 11 -49.975 10.594 -26.249 1.00133.03 N +ATOM 195 NH2 ARG A 11 -49.519 12.281 -24.770 1.00120.62 N +ATOM 196 H ARG A 11 -43.825 9.567 -22.581 1.00 70.62 H +ATOM 197 HA ARG A 11 -43.756 8.067 -24.645 1.00 70.82 H +ATOM 198 HB2 ARG A 11 -45.746 9.006 -23.998 1.00 89.42 H +ATOM 199 HB3 ARG A 11 -45.201 10.466 -24.293 1.00 89.42 H +ATOM 200 HG2 ARG A 11 -45.439 10.222 -26.507 1.00108.83 H +ATOM 201 HG3 ARG A 11 -45.532 8.640 -26.400 1.00108.83 H +ATOM 202 HD2 ARG A 11 -47.640 9.605 -26.920 1.00124.54 H +ATOM 203 HD3 ARG A 11 -47.699 8.783 -25.564 1.00124.54 H +ATOM 204 HE ARG A 11 -47.345 11.178 -24.781 1.00164.96 H +ATOM 205 HH11 ARG A 11 -49.729 9.896 -26.687 1.00159.64 H +ATOM 206 HH12 ARG A 11 -50.777 10.892 -26.331 1.00159.64 H +ATOM 207 HH21 ARG A 11 -48.973 12.687 -24.244 1.00144.74 H +ATOM 208 HH22 ARG A 11 -50.324 12.571 -24.862 1.00144.74 H +ATOM 209 N GLY A 12 -42.300 8.851 -26.409 1.00 60.96 N +ATOM 210 CA GLY A 12 -41.397 9.320 -27.445 1.00 54.44 C +ATOM 211 C GLY A 12 -40.049 9.835 -26.997 1.00 50.51 C +ATOM 212 O GLY A 12 -39.347 10.438 -27.801 1.00 43.87 O +ATOM 213 H GLY A 12 -42.426 8.000 -26.419 1.00 73.15 H +ATOM 214 HA2 GLY A 12 -41.239 8.593 -28.068 1.00 65.33 H +ATOM 215 HA3 GLY A 12 -41.834 10.036 -27.933 1.00 65.33 H +ATOM 216 N GLN A 13 -39.644 9.640 -25.742 1.00 52.41 N +ATOM 217 CA GLN A 13 -38.372 10.191 -25.284 1.00 50.31 C +ATOM 218 C GLN A 13 -37.328 9.115 -25.069 1.00 42.32 C +ATOM 219 O GLN A 13 -36.298 9.366 -24.460 1.00 39.69 O +ATOM 220 CB GLN A 13 -38.544 11.000 -23.993 1.00 53.78 C +ATOM 221 CG GLN A 13 -39.428 12.236 -24.125 1.00 50.32 C +ATOM 222 CD GLN A 13 -39.157 13.218 -23.034 1.00 51.58 C +ATOM 223 OE1 GLN A 13 -38.027 13.326 -22.549 1.00 57.65 O +ATOM 224 NE2 GLN A 13 -40.184 13.937 -22.617 1.00 57.18 N +ATOM 225 H GLN A 13 -40.080 9.199 -25.145 1.00 62.90 H +ATOM 226 HA GLN A 13 -38.035 10.794 -25.965 1.00 60.38 H +ATOM 227 HB2 GLN A 13 -38.941 10.426 -23.320 1.00 64.53 H +ATOM 228 HB3 GLN A 13 -37.670 11.296 -23.695 1.00 64.53 H +ATOM 229 HG2 GLN A 13 -39.251 12.669 -24.975 1.00 60.39 H +ATOM 230 HG3 GLN A 13 -40.360 11.971 -24.071 1.00 60.39 H +ATOM 231 HE21 GLN A 13 -40.958 13.831 -22.978 1.00 68.62 H +ATOM 232 HE22 GLN A 13 -40.078 14.515 -21.989 1.00 68.62 H +ATOM 233 N LEU A 14 -37.566 7.925 -25.579 1.00 43.05 N +ATOM 234 CA LEU A 14 -36.665 6.820 -25.301 1.00 45.62 C +ATOM 235 C LEU A 14 -35.258 7.097 -25.805 1.00 45.04 C +ATOM 236 O LEU A 14 -34.283 6.922 -25.075 1.00 42.78 O +ATOM 237 CB LEU A 14 -37.219 5.549 -25.930 1.00 43.65 C +ATOM 238 CG LEU A 14 -36.364 4.358 -25.555 1.00 47.38 C +ATOM 239 CD1 LEU A 14 -37.274 3.193 -25.204 1.00 47.01 C +ATOM 240 CD2 LEU A 14 -35.448 4.030 -26.695 1.00 43.58 C +ATOM 241 H LEU A 14 -38.233 7.727 -26.085 1.00 51.66 H +ATOM 242 HA LEU A 14 -36.618 6.684 -24.341 1.00 54.74 H +ATOM 243 HB2 LEU A 14 -38.120 5.395 -25.607 1.00 52.38 H +ATOM 244 HB3 LEU A 14 -37.215 5.639 -26.896 1.00 52.38 H +ATOM 245 HG LEU A 14 -35.826 4.575 -24.778 1.00 56.85 H +ATOM 246 HD11 LEU A 14 -36.728 2.428 -24.964 1.00 56.41 H +ATOM 247 HD12 LEU A 14 -37.837 3.446 -24.456 1.00 56.41 H +ATOM 248 HD13 LEU A 14 -37.823 2.979 -25.975 1.00 56.41 H +ATOM 249 HD21 LEU A 14 -34.902 3.266 -26.451 1.00 52.30 H +ATOM 250 HD22 LEU A 14 -35.982 3.819 -27.477 1.00 52.30 H +ATOM 251 HD23 LEU A 14 -34.883 4.797 -26.876 1.00 52.30 H +ATOM 252 N GLN A 15 -35.119 7.460 -27.077 1.00 44.00 N +ATOM 253 CA GLN A 15 -33.794 7.753 -27.586 1.00 48.51 C +ATOM 254 C GLN A 15 -33.162 8.854 -26.778 1.00 45.85 C +ATOM 255 O GLN A 15 -31.970 8.803 -26.503 1.00 45.65 O +ATOM 256 CB GLN A 15 -33.866 8.121 -29.073 1.00 59.40 C +ATOM 257 CG GLN A 15 -32.635 8.878 -29.605 1.00 62.30 C +ATOM 258 CD GLN A 15 -32.779 9.243 -31.099 1.00 73.60 C +ATOM 259 OE1 GLN A 15 -33.064 8.380 -31.937 1.00 78.10 O +ATOM 260 NE2 GLN A 15 -32.591 10.525 -31.426 1.00 80.32 N +ATOM 261 H GLN A 15 -35.758 7.541 -27.647 1.00 52.80 H +ATOM 262 HA GLN A 15 -33.240 6.961 -27.500 1.00 58.21 H +ATOM 263 HB2 GLN A 15 -33.954 7.305 -29.590 1.00 71.28 H +ATOM 264 HB3 GLN A 15 -34.642 8.684 -29.216 1.00 71.28 H +ATOM 265 HG2 GLN A 15 -32.526 9.701 -29.103 1.00 74.76 H +ATOM 266 HG3 GLN A 15 -31.849 8.319 -29.505 1.00 74.76 H +ATOM 267 HE21 GLN A 15 -32.396 11.100 -30.817 1.00 96.38 H +ATOM 268 HE22 GLN A 15 -32.662 10.774 -32.246 1.00 96.38 H +ATOM 269 N ARG A 16 -33.959 9.815 -26.315 1.00 48.06 N +ATOM 270 CA ARG A 16 -33.427 10.855 -25.436 1.00 45.42 C +ATOM 271 C ARG A 16 -32.916 10.266 -24.120 1.00 48.02 C +ATOM 272 O ARG A 16 -31.845 10.633 -23.628 1.00 41.20 O +ATOM 273 CB ARG A 16 -34.516 11.891 -25.163 1.00 44.61 C +ATOM 274 CG ARG A 16 -34.051 13.145 -24.466 1.00 50.50 C +ATOM 275 CD ARG A 16 -35.246 13.956 -23.952 1.00 48.43 C +ATOM 276 NE ARG A 16 -34.807 15.200 -23.339 1.00 53.54 N +ATOM 277 CZ ARG A 16 -35.412 15.815 -22.321 1.00 60.51 C +ATOM 278 NH1 ARG A 16 -36.523 15.315 -21.766 1.00 56.90 N +ATOM 279 NH2 ARG A 16 -34.888 16.940 -21.843 1.00 57.49 N +ATOM 280 H ARG A 16 -34.798 9.888 -26.492 1.00 57.68 H +ATOM 281 HA ARG A 16 -32.687 11.300 -25.878 1.00 54.50 H +ATOM 282 HB2 ARG A 16 -34.907 12.156 -26.010 1.00 53.53 H +ATOM 283 HB3 ARG A 16 -35.196 11.482 -24.606 1.00 53.53 H +ATOM 284 HG2 ARG A 16 -33.495 12.905 -23.709 1.00 60.60 H +ATOM 285 HG3 ARG A 16 -33.553 13.695 -25.091 1.00 60.60 H +ATOM 286 HD2 ARG A 16 -35.832 14.172 -24.694 1.00 58.11 H +ATOM 287 HD3 ARG A 16 -35.723 13.439 -23.285 1.00 58.11 H +ATOM 288 HE ARG A 16 -34.100 15.569 -23.659 1.00 64.25 H +ATOM 289 HH11 ARG A 16 -36.863 14.584 -22.066 1.00 68.28 H +ATOM 290 HH12 ARG A 16 -36.899 15.726 -21.111 1.00 68.28 H +ATOM 291 HH21 ARG A 16 -34.176 17.267 -22.198 1.00 68.99 H +ATOM 292 HH22 ARG A 16 -35.271 17.350 -21.192 1.00 68.99 H +ATOM 293 N ALA A 17 -33.690 9.383 -23.501 1.00 43.17 N +ATOM 294 CA ALA A 17 -33.229 8.817 -22.238 1.00 46.37 C +ATOM 295 C ALA A 17 -31.968 8.000 -22.447 1.00 43.86 C +ATOM 296 O ALA A 17 -31.049 8.020 -21.625 1.00 38.04 O +ATOM 297 CB ALA A 17 -34.317 7.938 -21.646 1.00 48.66 C +ATOM 298 H ALA A 17 -34.455 9.104 -23.775 1.00 51.80 H +ATOM 299 HA ALA A 17 -33.034 9.532 -21.613 1.00 55.65 H +ATOM 300 HB1 ALA A 17 -34.001 7.567 -20.808 1.00 58.40 H +ATOM 301 HB2 ALA A 17 -35.108 8.478 -21.492 1.00 58.40 H +ATOM 302 HB3 ALA A 17 -34.519 7.223 -22.269 1.00 58.40 H +ATOM 303 N GLN A 18 -31.919 7.246 -23.536 1.00 43.19 N +ATOM 304 CA GLN A 18 -30.704 6.510 -23.839 1.00 44.29 C +ATOM 305 C GLN A 18 -29.541 7.463 -23.927 1.00 41.79 C +ATOM 306 O GLN A 18 -28.466 7.177 -23.413 1.00 38.85 O +ATOM 307 CB GLN A 18 -30.877 5.747 -25.136 1.00 43.68 C +ATOM 308 CG GLN A 18 -29.914 4.599 -25.333 1.00 55.64 C +ATOM 309 CD GLN A 18 -30.520 3.527 -26.280 1.00 59.15 C +ATOM 310 OE1 GLN A 18 -31.452 3.818 -27.050 1.00 52.67 O +ATOM 311 NE2 GLN A 18 -29.995 2.296 -26.214 1.00 56.94 N +ATOM 312 H GLN A 18 -32.558 7.145 -24.103 1.00 51.83 H +ATOM 313 HA GLN A 18 -30.526 5.873 -23.129 1.00 53.15 H +ATOM 314 HB2 GLN A 18 -31.776 5.383 -25.162 1.00 52.42 H +ATOM 315 HB3 GLN A 18 -30.754 6.363 -25.875 1.00 52.42 H +ATOM 316 HG2 GLN A 18 -29.094 4.931 -25.731 1.00 66.77 H +ATOM 317 HG3 GLN A 18 -29.729 4.183 -24.476 1.00 66.77 H +ATOM 318 HE21 GLN A 18 -29.352 2.132 -25.668 1.00 68.32 H +ATOM 319 HE22 GLN A 18 -30.300 1.671 -26.720 1.00 68.32 H +ATOM 320 N GLU A 19 -29.752 8.630 -24.523 1.00 44.02 N +ATOM 321 CA GLU A 19 -28.653 9.577 -24.659 1.00 47.24 C +ATOM 322 C GLU A 19 -28.151 9.993 -23.300 1.00 51.77 C +ATOM 323 O GLU A 19 -26.975 9.821 -22.962 1.00 48.05 O +ATOM 324 CB GLU A 19 -29.113 10.817 -25.398 1.00 52.93 C +ATOM 325 CG GLU A 19 -29.170 10.723 -26.886 1.00 63.60 C +ATOM 326 CD GLU A 19 -29.322 12.112 -27.463 1.00 72.64 C +ATOM 327 OE1 GLU A 19 -28.679 13.041 -26.876 1.00 72.51 O +ATOM 328 OE2 GLU A 19 -30.092 12.268 -28.451 1.00 72.34 O +ATOM 329 H GLU A 19 -30.503 8.893 -24.850 1.00 52.83 H +ATOM 330 HA GLU A 19 -27.925 9.169 -25.153 1.00 56.69 H +ATOM 331 HB2 GLU A 19 -30.005 11.039 -25.089 1.00 63.52 H +ATOM 332 HB3 GLU A 19 -28.508 11.542 -25.179 1.00 63.52 H +ATOM 333 HG2 GLU A 19 -28.348 10.334 -27.222 1.00 76.32 H +ATOM 334 HG3 GLU A 19 -29.936 10.190 -27.152 1.00 76.32 H +ATOM 335 N HIS A 20 -29.048 10.551 -22.498 1.00 48.10 N +ATOM 336 CA HIS A 20 -28.617 11.140 -21.242 1.00 50.54 C +ATOM 337 C HIS A 20 -28.074 10.089 -20.285 1.00 44.47 C +ATOM 338 O HIS A 20 -27.161 10.372 -19.499 1.00 49.80 O +ATOM 339 CB HIS A 20 -29.794 11.904 -20.669 1.00 53.37 C +ATOM 340 CG HIS A 20 -30.163 13.096 -21.493 1.00 58.12 C +ATOM 341 ND1 HIS A 20 -29.595 14.337 -21.306 1.00 59.83 N +ATOM 342 CD2 HIS A 20 -31.020 13.227 -22.533 1.00 59.05 C +ATOM 343 CE1 HIS A 20 -30.107 15.187 -22.178 1.00 62.05 C +ATOM 344 NE2 HIS A 20 -30.972 14.538 -22.935 1.00 58.31 N +ATOM 345 H HIS A 20 -29.892 10.601 -22.653 1.00 57.72 H +ATOM 346 HA HIS A 20 -27.906 11.776 -21.420 1.00 60.65 H +ATOM 347 HB2 HIS A 20 -30.565 11.316 -20.631 1.00 64.04 H +ATOM 348 HB3 HIS A 20 -29.567 12.214 -19.779 1.00 64.04 H +ATOM 349 HD2 HIS A 20 -31.553 12.558 -22.897 1.00 70.86 H +ATOM 350 HE1 HIS A 20 -29.888 16.088 -22.252 1.00 74.46 H +ATOM 351 HE2 HIS A 20 -31.430 14.881 -23.578 1.00 69.98 H +ATOM 352 N LEU A 21 -28.599 8.868 -20.344 1.00 43.56 N +ATOM 353 CA LEU A 21 -28.089 7.805 -19.482 1.00 46.68 C +ATOM 354 C LEU A 21 -26.692 7.374 -19.906 1.00 47.02 C +ATOM 355 O LEU A 21 -25.796 7.204 -19.066 1.00 41.82 O +ATOM 356 CB LEU A 21 -29.037 6.616 -19.506 1.00 39.90 C +ATOM 357 CG LEU A 21 -30.324 6.805 -18.716 1.00 42.68 C +ATOM 358 CD1 LEU A 21 -31.378 5.760 -19.179 1.00 40.73 C +ATOM 359 CD2 LEU A 21 -30.035 6.737 -17.200 1.00 41.18 C +ATOM 360 H LEU A 21 -29.241 8.632 -20.864 1.00 52.27 H +ATOM 361 HA LEU A 21 -28.039 8.132 -18.570 1.00 56.02 H +ATOM 362 HB2 LEU A 21 -29.284 6.436 -20.427 1.00 47.88 H +ATOM 363 HB3 LEU A 21 -28.577 5.846 -19.136 1.00 47.88 H +ATOM 364 HG LEU A 21 -30.679 7.687 -18.908 1.00 51.21 H +ATOM 365 HD11 LEU A 21 -32.194 5.888 -18.671 1.00 48.88 H +ATOM 366 HD12 LEU A 21 -31.554 5.887 -20.125 1.00 48.88 H +ATOM 367 HD13 LEU A 21 -31.028 4.869 -19.025 1.00 48.88 H +ATOM 368 HD21 LEU A 21 -30.865 6.860 -16.714 1.00 49.41 H +ATOM 369 HD22 LEU A 21 -29.653 5.870 -16.990 1.00 49.41 H +ATOM 370 HD23 LEU A 21 -29.408 7.440 -16.966 1.00 49.41 H +ATOM 371 N GLU A 22 -26.498 7.145 -21.204 1.00 41.64 N +ATOM 372 CA GLU A 22 -25.174 6.772 -21.664 1.00 39.90 C +ATOM 373 C GLU A 22 -24.164 7.866 -21.327 1.00 42.93 C +ATOM 374 O GLU A 22 -23.027 7.553 -20.978 1.00 35.79 O +ATOM 375 CB GLU A 22 -25.183 6.465 -23.171 1.00 48.23 C +ATOM 376 CG GLU A 22 -25.581 4.989 -23.569 1.00 50.33 C +ATOM 377 CD GLU A 22 -26.100 4.867 -25.042 1.00 61.15 C +ATOM 378 OE1 GLU A 22 -26.076 5.895 -25.768 1.00 59.49 O +ATOM 379 OE2 GLU A 22 -26.550 3.755 -25.478 1.00 58.63 O +ATOM 380 H GLU A 22 -27.099 7.198 -21.817 1.00 49.97 H +ATOM 381 HA GLU A 22 -24.900 5.965 -21.200 1.00 47.88 H +ATOM 382 HB2 GLU A 22 -25.816 7.062 -23.601 1.00 57.87 H +ATOM 383 HB3 GLU A 22 -24.294 6.631 -23.522 1.00 57.87 H +ATOM 384 HG2 GLU A 22 -24.802 4.418 -23.478 1.00 60.39 H +ATOM 385 HG3 GLU A 22 -26.286 4.683 -22.978 1.00 60.39 H +ATOM 386 N ARG A 23 -24.576 9.144 -21.383 1.00 42.12 N +ATOM 387 CA ARG A 23 -23.695 10.249 -20.998 1.00 42.21 C +ATOM 388 C ARG A 23 -23.186 10.092 -19.583 1.00 50.82 C +ATOM 389 O ARG A 23 -22.070 10.538 -19.275 1.00 47.53 O +ATOM 390 CB ARG A 23 -24.408 11.607 -21.114 1.00 50.48 C +ATOM 391 CG ARG A 23 -24.616 12.165 -22.578 1.00 57.35 C +ATOM 392 CD ARG A 23 -24.894 13.658 -22.541 1.00 63.48 C +ATOM 393 NE ARG A 23 -25.860 14.091 -23.553 1.00 65.39 N +ATOM 394 CZ ARG A 23 -26.836 14.974 -23.326 1.00 74.45 C +ATOM 395 NH1 ARG A 23 -26.986 15.508 -22.110 1.00 71.98 N +ATOM 396 NH2 ARG A 23 -27.683 15.320 -24.308 1.00 74.41 N +ATOM 397 H ARG A 23 -25.359 9.392 -21.640 1.00 50.54 H +ATOM 398 HA ARG A 23 -22.928 10.262 -21.592 1.00 50.65 H +ATOM 399 HB2 ARG A 23 -25.286 11.525 -20.709 1.00 60.57 H +ATOM 400 HB3 ARG A 23 -23.890 12.266 -20.625 1.00 60.57 H +ATOM 401 HG2 ARG A 23 -23.811 12.014 -23.099 1.00 68.82 H +ATOM 402 HG3 ARG A 23 -25.374 11.721 -22.989 1.00 68.82 H +ATOM 403 HD2 ARG A 23 -25.251 13.890 -21.670 1.00 76.18 H +ATOM 404 HD3 ARG A 23 -24.065 14.137 -22.697 1.00 76.18 H +ATOM 405 HE ARG A 23 -25.762 13.796 -24.354 1.00 78.47 H +ATOM 406 HH11 ARG A 23 -26.448 15.290 -21.475 1.00 86.38 H +ATOM 407 HH12 ARG A 23 -27.617 16.074 -21.964 1.00 86.38 H +ATOM 408 HH21 ARG A 23 -27.594 14.978 -25.092 1.00 89.29 H +ATOM 409 HH22 ARG A 23 -28.311 15.886 -24.155 1.00 89.29 H +ATOM 410 N GLN A 24 -23.999 9.489 -18.710 1.00 45.09 N +ATOM 411 CA GLN A 24 -23.695 9.287 -17.302 1.00 42.72 C +ATOM 412 C GLN A 24 -23.006 7.948 -17.040 1.00 45.59 C +ATOM 413 O GLN A 24 -22.870 7.542 -15.870 1.00 47.23 O +ATOM 414 CB GLN A 24 -24.972 9.358 -16.475 1.00 43.45 C +ATOM 415 CG GLN A 24 -25.722 10.677 -16.565 1.00 47.97 C +ATOM 416 CD GLN A 24 -26.927 10.732 -15.630 1.00 52.64 C +ATOM 417 OE1 GLN A 24 -26.784 10.763 -14.395 1.00 49.01 O +ATOM 418 NE2 GLN A 24 -28.128 10.750 -16.215 1.00 46.83 N +ATOM 419 H GLN A 24 -24.770 9.176 -18.929 1.00 54.11 H +ATOM 420 HA GLN A 24 -23.102 9.994 -17.002 1.00 51.27 H +ATOM 421 HB2 GLN A 24 -25.573 8.658 -16.775 1.00 52.14 H +ATOM 422 HB3 GLN A 24 -24.745 9.213 -15.543 1.00 52.14 H +ATOM 423 HG2 GLN A 24 -25.121 11.400 -16.324 1.00 57.56 H +ATOM 424 HG3 GLN A 24 -26.040 10.799 -17.473 1.00 57.56 H +ATOM 425 HE21 GLN A 24 -28.190 10.729 -17.072 1.00 56.19 H +ATOM 426 HE22 GLN A 24 -28.840 10.781 -15.733 1.00 56.19 H +ATOM 427 N ALA A 25 -22.578 7.263 -18.101 1.00 42.63 N +ATOM 428 CA ALA A 25 -21.887 5.974 -18.032 1.00 45.97 C +ATOM 429 C ALA A 25 -22.818 4.863 -17.537 1.00 42.83 C +ATOM 430 O ALA A 25 -22.374 3.898 -16.912 1.00 45.37 O +ATOM 431 CB ALA A 25 -20.610 6.045 -17.174 1.00 47.26 C +ATOM 432 H ALA A 25 -22.683 7.540 -18.909 1.00 51.16 H +ATOM 433 HA ALA A 25 -21.611 5.733 -18.931 1.00 55.16 H +ATOM 434 HB1 ALA A 25 -20.190 5.171 -17.159 1.00 56.72 H +ATOM 435 HB2 ALA A 25 -20.005 6.696 -17.562 1.00 56.72 H +ATOM 436 HB3 ALA A 25 -20.850 6.312 -16.273 1.00 56.72 H +ATOM 437 N VAL A 26 -24.103 4.948 -17.874 1.00 38.39 N +ATOM 438 CA VAL A 26 -25.059 3.869 -17.610 1.00 39.96 C +ATOM 439 C VAL A 26 -25.238 3.083 -18.901 1.00 43.38 C +ATOM 440 O VAL A 26 -25.565 3.670 -19.940 1.00 34.96 O +ATOM 441 CB VAL A 26 -26.399 4.429 -17.123 1.00 39.11 C +ATOM 442 CG1 VAL A 26 -27.414 3.310 -16.909 1.00 37.64 C +ATOM 443 CG2 VAL A 26 -26.190 5.194 -15.811 1.00 42.07 C +ATOM 444 H VAL A 26 -24.453 5.630 -18.263 1.00 46.07 H +ATOM 445 HA VAL A 26 -24.703 3.275 -16.931 1.00 47.95 H +ATOM 446 HB VAL A 26 -26.753 5.043 -17.784 1.00 46.94 H +ATOM 447 HG11 VAL A 26 -28.248 3.697 -16.602 1.00 45.16 H +ATOM 448 HG12 VAL A 26 -27.553 2.846 -17.750 1.00 45.16 H +ATOM 449 HG13 VAL A 26 -27.069 2.694 -16.244 1.00 45.16 H +ATOM 450 HG21 VAL A 26 -27.044 5.544 -15.511 1.00 50.48 H +ATOM 451 HG22 VAL A 26 -25.829 4.587 -15.146 1.00 50.48 H +ATOM 452 HG23 VAL A 26 -25.569 5.922 -15.967 1.00 50.48 H +ATOM 453 N ASN A 27 -25.019 1.768 -18.844 1.00 37.30 N +ATOM 454 CA ASN A 27 -25.266 0.934 -20.013 1.00 40.81 C +ATOM 455 C ASN A 27 -26.752 0.795 -20.246 1.00 36.62 C +ATOM 456 O ASN A 27 -27.494 0.464 -19.325 1.00 41.25 O +ATOM 457 CB ASN A 27 -24.665 -0.448 -19.843 1.00 38.77 C +ATOM 458 CG ASN A 27 -23.175 -0.386 -19.739 1.00 46.13 C +ATOM 459 OD1 ASN A 27 -22.524 0.332 -20.505 1.00 40.77 O +ATOM 460 ND2 ASN A 27 -22.626 -1.099 -18.780 1.00 39.12 N +ATOM 461 H ASN A 27 -24.732 1.344 -18.153 1.00 44.76 H +ATOM 462 HA ASN A 27 -24.870 1.348 -20.796 1.00 48.97 H +ATOM 463 HB2 ASN A 27 -25.011 -0.850 -19.031 1.00 46.53 H +ATOM 464 HB3 ASN A 27 -24.894 -0.994 -20.612 1.00 46.53 H +ATOM 465 HD21 ASN A 27 -21.772 -1.094 -18.676 1.00 46.95 H +ATOM 466 HD22 ASN A 27 -23.119 -1.580 -18.266 1.00 46.95 H +ATOM 467 N CYS A 28 -27.165 1.030 -21.482 1.00 38.62 N +ATOM 468 CA CYS A 28 -28.552 0.976 -21.922 1.00 41.63 C +ATOM 469 C CYS A 28 -28.772 -0.173 -22.898 1.00 37.97 C +ATOM 470 O CYS A 28 -27.873 -0.548 -23.658 1.00 32.38 O +ATOM 471 CB CYS A 28 -28.957 2.280 -22.618 1.00 37.57 C +ATOM 472 SG CYS A 28 -28.950 3.581 -21.414 1.00 44.18 S +ATOM 473 H CYS A 28 -26.627 1.236 -22.121 1.00 46.34 H +ATOM 474 HA CYS A 28 -29.131 0.844 -21.155 1.00 49.96 H +ATOM 475 HB2 CYS A 28 -28.317 2.494 -23.316 1.00 45.08 H +ATOM 476 HB3 CYS A 28 -29.851 2.195 -22.984 1.00 45.08 H +ATOM 477 HG CYS A 28 -29.265 4.608 -21.947 1.00 53.02 H +ATOM 478 N LEU A 29 -30.002 -0.702 -22.878 1.00 34.28 N +ATOM 479 CA LEU A 29 -30.379 -1.839 -23.701 1.00 32.57 C +ATOM 480 C LEU A 29 -31.855 -1.726 -24.071 1.00 34.59 C +ATOM 481 O LEU A 29 -32.737 -1.714 -23.190 1.00 31.19 O +ATOM 482 CB LEU A 29 -30.070 -3.128 -22.957 1.00 32.08 C +ATOM 483 CG LEU A 29 -30.458 -4.380 -23.709 1.00 35.62 C +ATOM 484 CD1 LEU A 29 -29.790 -4.348 -25.077 1.00 33.20 C +ATOM 485 CD2 LEU A 29 -29.918 -5.518 -22.907 1.00 43.31 C +ATOM 486 H LEU A 29 -30.642 -0.408 -22.384 1.00 41.13 H +ATOM 487 HA LEU A 29 -29.859 -1.828 -24.520 1.00 39.09 H +ATOM 488 HB2 LEU A 29 -29.116 -3.169 -22.787 1.00 38.49 H +ATOM 489 HB3 LEU A 29 -30.553 -3.127 -22.116 1.00 38.49 H +ATOM 490 HG LEU A 29 -31.421 -4.455 -23.801 1.00 42.74 H +ATOM 491 HD11 LEU A 29 -30.035 -5.150 -25.566 1.00 39.84 H +ATOM 492 HD12 LEU A 29 -30.093 -3.562 -25.558 1.00 39.84 H +ATOM 493 HD13 LEU A 29 -28.828 -4.314 -24.958 1.00 39.84 H +ATOM 494 HD21 LEU A 29 -30.142 -6.351 -23.352 1.00 51.98 H +ATOM 495 HD22 LEU A 29 -28.954 -5.428 -22.840 1.00 51.98 H +ATOM 496 HD23 LEU A 29 -30.315 -5.497 -22.023 1.00 51.98 H +ATOM 497 N ALA A 30 -32.125 -1.558 -25.370 1.00 29.44 N +ATOM 498 CA ALA A 30 -33.495 -1.484 -25.880 1.00 33.45 C +ATOM 499 C ALA A 30 -33.603 -2.489 -27.003 1.00 35.38 C +ATOM 500 O ALA A 30 -33.479 -2.136 -28.175 1.00 33.16 O +ATOM 501 CB ALA A 30 -33.850 -0.076 -26.346 1.00 35.63 C +ATOM 502 H ALA A 30 -31.524 -1.485 -25.981 1.00 35.33 H +ATOM 503 HA ALA A 30 -34.115 -1.740 -25.179 1.00 40.13 H +ATOM 504 HB1 ALA A 30 -34.763 -0.073 -26.674 1.00 42.76 H +ATOM 505 HB2 ALA A 30 -33.766 0.534 -25.597 1.00 42.76 H +ATOM 506 HB3 ALA A 30 -33.242 0.184 -27.056 1.00 42.76 H +ATOM 507 N PRO A 31 -33.839 -3.752 -26.685 1.00 36.10 N +ATOM 508 CA PRO A 31 -33.756 -4.781 -27.715 1.00 35.37 C +ATOM 509 C PRO A 31 -34.859 -4.622 -28.750 1.00 35.68 C +ATOM 510 O PRO A 31 -35.963 -4.153 -28.454 1.00 31.20 O +ATOM 511 CB PRO A 31 -33.924 -6.087 -26.921 1.00 34.54 C +ATOM 512 CG PRO A 31 -33.615 -5.765 -25.613 1.00 38.50 C +ATOM 513 CD PRO A 31 -34.101 -4.355 -25.377 1.00 33.15 C +ATOM 514 HA PRO A 31 -32.888 -4.767 -28.150 1.00 42.45 H +ATOM 515 HB2 PRO A 31 -34.841 -6.395 -26.990 1.00 41.44 H +ATOM 516 HB3 PRO A 31 -33.311 -6.757 -27.263 1.00 41.44 H +ATOM 517 HG2 PRO A 31 -34.066 -6.382 -25.015 1.00 46.20 H +ATOM 518 HG3 PRO A 31 -32.654 -5.816 -25.487 1.00 46.20 H +ATOM 519 HD2 PRO A 31 -35.050 -4.345 -25.176 1.00 39.78 H +ATOM 520 HD3 PRO A 31 -33.578 -3.920 -24.686 1.00 39.78 H +ATOM 521 N MET A 32 -34.524 -4.983 -29.979 1.00 32.79 N +ATOM 522 CA MET A 32 -35.479 -5.029 -31.068 1.00 34.82 C +ATOM 523 C MET A 32 -35.802 -6.483 -31.362 1.00 36.88 C +ATOM 524 O MET A 32 -35.132 -7.405 -30.890 1.00 38.63 O +ATOM 525 CB MET A 32 -34.943 -4.351 -32.311 1.00 37.46 C +ATOM 526 CG MET A 32 -34.461 -2.942 -32.096 1.00 41.40 C +ATOM 527 SD MET A 32 -35.787 -1.806 -31.679 1.00 38.25 S +ATOM 528 CE MET A 32 -36.469 -1.505 -33.301 1.00 51.27 C +ATOM 529 H MET A 32 -33.728 -5.211 -30.211 1.00 39.35 H +ATOM 530 HA MET A 32 -36.290 -4.570 -30.799 1.00 41.78 H +ATOM 531 HB2 MET A 32 -34.195 -4.869 -32.648 1.00 44.95 H +ATOM 532 HB3 MET A 32 -35.647 -4.323 -32.977 1.00 44.95 H +ATOM 533 HG2 MET A 32 -33.820 -2.935 -31.367 1.00 49.68 H +ATOM 534 HG3 MET A 32 -34.040 -2.625 -32.910 1.00 49.68 H +ATOM 535 HE1 MET A 32 -37.215 -0.890 -33.220 1.00 61.52 H +ATOM 536 HE2 MET A 32 -35.781 -1.119 -33.866 1.00 61.52 H +ATOM 537 HE3 MET A 32 -36.773 -2.346 -33.676 1.00 61.52 H +ATOM 538 N ILE A 33 -36.893 -6.684 -32.086 1.00 29.52 N +ATOM 539 CA ILE A 33 -37.235 -8.009 -32.534 1.00 30.86 C +ATOM 540 C ILE A 33 -37.685 -7.896 -33.978 1.00 32.24 C +ATOM 541 O ILE A 33 -38.508 -7.036 -34.324 1.00 33.91 O +ATOM 542 CB ILE A 33 -38.327 -8.636 -31.655 1.00 30.51 C +ATOM 543 CG1 ILE A 33 -38.634 -10.066 -32.087 1.00 35.61 C +ATOM 544 CG2 ILE A 33 -39.557 -7.776 -31.661 1.00 28.19 C +ATOM 545 CD1 ILE A 33 -39.492 -10.824 -31.026 1.00 34.03 C +ATOM 546 H ILE A 33 -37.445 -6.071 -32.327 1.00 35.42 H +ATOM 547 HA ILE A 33 -36.449 -8.576 -32.500 1.00 37.04 H +ATOM 548 HB ILE A 33 -37.993 -8.668 -30.745 1.00 36.61 H +ATOM 549 HG12 ILE A 33 -39.130 -10.048 -32.921 1.00 42.73 H +ATOM 550 HG13 ILE A 33 -37.801 -10.549 -32.204 1.00 42.73 H +ATOM 551 HG21 ILE A 33 -40.234 -8.188 -31.101 1.00 33.83 H +ATOM 552 HG22 ILE A 33 -39.330 -6.899 -31.314 1.00 33.83 H +ATOM 553 HG23 ILE A 33 -39.883 -7.698 -32.571 1.00 33.83 H +ATOM 554 HD11 ILE A 33 -39.662 -11.725 -31.343 1.00 40.83 H +ATOM 555 HD12 ILE A 33 -39.004 -10.853 -30.189 1.00 40.83 H +ATOM 556 HD13 ILE A 33 -40.331 -10.352 -30.904 1.00 40.83 H +ATOM 557 N THR A 34 -37.204 -8.797 -34.791 1.00 35.27 N +ATOM 558 CA THR A 34 -37.622 -8.870 -36.192 1.00 37.79 C +ATOM 559 C THR A 34 -38.723 -9.903 -36.290 1.00 39.01 C +ATOM 560 O THR A 34 -38.527 -11.053 -35.880 1.00 43.08 O +ATOM 561 CB THR A 34 -36.461 -9.244 -37.091 1.00 40.07 C +ATOM 562 OG1 THR A 34 -35.544 -8.163 -37.049 1.00 38.46 O +ATOM 563 CG2 THR A 34 -36.964 -9.520 -38.591 1.00 37.19 C +ATOM 564 H THR A 34 -36.625 -9.393 -34.567 1.00 42.33 H +ATOM 565 HA THR A 34 -37.972 -8.011 -36.475 1.00 45.34 H +ATOM 566 HB THR A 34 -36.033 -10.047 -36.754 1.00 48.09 H +ATOM 567 HG1 THR A 34 -35.279 -8.041 -36.261 1.00 46.15 H +ATOM 568 HG21 THR A 34 -36.211 -9.758 -39.155 1.00 44.63 H +ATOM 569 HG22 THR A 34 -37.605 -10.249 -38.597 1.00 44.63 H +ATOM 570 HG23 THR A 34 -37.388 -8.725 -38.950 1.00 44.63 H +ATOM 571 N LEU A 35 -39.882 -9.495 -36.813 1.00 36.38 N +ATOM 572 CA LEU A 35 -40.980 -10.436 -36.955 1.00 40.33 C +ATOM 573 C LEU A 35 -41.828 -10.065 -38.171 1.00 40.95 C +ATOM 574 O LEU A 35 -41.717 -8.975 -38.740 1.00 37.57 O +ATOM 575 CB LEU A 35 -41.847 -10.476 -35.687 1.00 39.09 C +ATOM 576 CG LEU A 35 -41.942 -9.226 -34.827 1.00 44.44 C +ATOM 577 CD1 LEU A 35 -42.852 -8.230 -35.424 1.00 47.24 C +ATOM 578 CD2 LEU A 35 -42.416 -9.550 -33.462 1.00 41.78 C +ATOM 579 H LEU A 35 -40.051 -8.697 -37.085 1.00 43.65 H +ATOM 580 HA LEU A 35 -40.618 -11.324 -37.100 1.00 48.40 H +ATOM 581 HB2 LEU A 35 -42.752 -10.700 -35.956 1.00 46.90 H +ATOM 582 HB3 LEU A 35 -41.504 -11.182 -35.117 1.00 46.90 H +ATOM 583 HG LEU A 35 -41.062 -8.824 -34.753 1.00 53.33 H +ATOM 584 HD11 LEU A 35 -42.886 -7.450 -34.848 1.00 56.68 H +ATOM 585 HD12 LEU A 35 -42.517 -7.981 -36.299 1.00 56.68 H +ATOM 586 HD13 LEU A 35 -43.736 -8.620 -35.505 1.00 56.68 H +ATOM 587 HD21 LEU A 35 -42.465 -8.733 -32.943 1.00 50.14 H +ATOM 588 HD22 LEU A 35 -43.295 -9.957 -33.522 1.00 50.14 H +ATOM 589 HD23 LEU A 35 -41.792 -10.168 -33.050 1.00 50.14 H +ATOM 590 N GLU A 36 -42.690 -10.986 -38.556 1.00 37.67 N +ATOM 591 CA GLU A 36 -43.609 -10.771 -39.672 1.00 45.88 C +ATOM 592 C GLU A 36 -44.892 -10.086 -39.186 1.00 47.63 C +ATOM 593 O GLU A 36 -45.565 -10.566 -38.267 1.00 51.19 O +ATOM 594 CB GLU A 36 -43.861 -12.106 -40.378 1.00 56.68 C +ATOM 595 CG GLU A 36 -42.501 -12.609 -41.005 1.00 62.06 C +ATOM 596 CD GLU A 36 -42.528 -13.976 -41.710 1.00 79.96 C +ATOM 597 OE1 GLU A 36 -43.555 -14.348 -42.328 1.00 76.41 O +ATOM 598 OE2 GLU A 36 -41.475 -14.663 -41.659 1.00 77.81 O +ATOM 599 H GLU A 36 -42.768 -11.759 -38.185 1.00 45.21 H +ATOM 600 HA GLU A 36 -43.185 -10.177 -40.312 1.00 55.05 H +ATOM 601 HB2 GLU A 36 -44.173 -12.763 -39.736 1.00 68.02 H +ATOM 602 HB3 GLU A 36 -44.508 -11.984 -41.090 1.00 68.02 H +ATOM 603 HG2 GLU A 36 -42.209 -11.955 -41.659 1.00 74.48 H +ATOM 604 HG3 GLU A 36 -41.844 -12.667 -40.294 1.00 74.48 H +ATOM 605 N LYS A 37 -45.141 -8.901 -39.719 1.00 41.68 N +ATOM 606 CA LYS A 37 -46.336 -8.118 -39.482 1.00 46.36 C +ATOM 607 C LYS A 37 -46.989 -7.826 -40.828 1.00 44.26 C +ATOM 608 O LYS A 37 -46.365 -8.029 -41.870 1.00 37.24 O +ATOM 609 CB LYS A 37 -45.983 -6.821 -38.750 1.00 46.81 C +ATOM 610 CG LYS A 37 -45.764 -7.021 -37.230 1.00 46.14 C +ATOM 611 CD LYS A 37 -47.074 -6.940 -36.481 1.00 58.79 C +ATOM 612 CE LYS A 37 -46.902 -7.291 -34.969 1.00 51.64 C +ATOM 613 NZ LYS A 37 -46.126 -6.245 -34.320 1.00 48.72 N +ATOM 614 H LYS A 37 -44.594 -8.509 -40.255 1.00 50.01 H +ATOM 615 HA LYS A 37 -46.958 -8.625 -38.937 1.00 55.63 H +ATOM 616 HB2 LYS A 37 -45.163 -6.461 -39.124 1.00 56.18 H +ATOM 617 HB3 LYS A 37 -46.707 -6.187 -38.866 1.00 56.18 H +ATOM 618 HG2 LYS A 37 -45.376 -7.897 -37.073 1.00 55.37 H +ATOM 619 HG3 LYS A 37 -45.177 -6.326 -36.895 1.00 55.37 H +ATOM 620 HD2 LYS A 37 -47.421 -6.036 -36.545 1.00 70.55 H +ATOM 621 HD3 LYS A 37 -47.702 -7.568 -36.869 1.00 70.55 H +ATOM 622 HE2 LYS A 37 -47.772 -7.342 -34.544 1.00 61.96 H +ATOM 623 HE3 LYS A 37 -46.427 -8.132 -34.881 1.00 61.96 H +ATOM 624 HZ1 LYS A 37 -46.021 -6.435 -33.457 1.00 58.46 H +ATOM 625 HZ2 LYS A 37 -45.324 -6.181 -34.701 1.00 58.46 H +ATOM 626 HZ3 LYS A 37 -46.545 -5.464 -34.396 1.00 58.46 H +ATOM 627 N ILE A 38 -48.258 -7.342 -40.796 1.00 36.21 N +ATOM 628 CA ILE A 38 -48.981 -6.875 -41.987 1.00 42.23 C +ATOM 629 C ILE A 38 -48.730 -5.386 -42.183 1.00 40.53 C +ATOM 630 O ILE A 38 -48.861 -4.586 -41.265 1.00 47.76 O +ATOM 631 CB ILE A 38 -50.488 -7.148 -41.875 1.00 44.06 C +ATOM 632 CG1 ILE A 38 -50.757 -8.589 -41.469 1.00 45.76 C +ATOM 633 CG2 ILE A 38 -51.175 -6.874 -43.220 1.00 47.74 C +ATOM 634 CD1 ILE A 38 -50.092 -9.588 -42.409 1.00 49.25 C +ATOM 635 H ILE A 38 -48.722 -7.277 -40.074 1.00 43.46 H +ATOM 636 HA ILE A 38 -48.646 -7.344 -42.767 1.00 50.68 H +ATOM 637 HB ILE A 38 -50.865 -6.558 -41.204 1.00 52.88 H +ATOM 638 HG12 ILE A 38 -50.409 -8.737 -40.576 1.00 54.91 H +ATOM 639 HG13 ILE A 38 -51.714 -8.750 -41.485 1.00 54.91 H +ATOM 640 HG21 ILE A 38 -52.124 -7.051 -43.131 1.00 57.29 H +ATOM 641 HG22 ILE A 38 -51.033 -5.945 -43.462 1.00 57.29 H +ATOM 642 HG23 ILE A 38 -50.791 -7.455 -43.895 1.00 57.29 H +ATOM 643 HD11 ILE A 38 -50.294 -10.488 -42.107 1.00 59.10 H +ATOM 644 HD12 ILE A 38 -50.436 -9.455 -43.306 1.00 59.10 H +ATOM 645 HD13 ILE A 38 -49.133 -9.442 -42.397 1.00 59.10 H +ATOM 646 N VAL A 39 -48.305 -5.024 -43.371 1.00 46.56 N +ATOM 647 CA VAL A 39 -48.122 -3.637 -43.762 1.00 52.67 C +ATOM 648 C VAL A 39 -48.756 -3.509 -45.136 1.00 48.48 C +ATOM 649 O VAL A 39 -48.461 -4.319 -46.017 1.00 42.25 O +ATOM 650 CB VAL A 39 -46.628 -3.247 -43.821 1.00 52.48 C +ATOM 651 CG1 VAL A 39 -46.432 -1.950 -44.615 1.00 55.60 C +ATOM 652 CG2 VAL A 39 -46.024 -3.143 -42.437 1.00 54.61 C +ATOM 653 H VAL A 39 -48.108 -5.582 -43.995 1.00 55.87 H +ATOM 654 HA VAL A 39 -48.582 -3.050 -43.142 1.00 63.20 H +ATOM 655 HB VAL A 39 -46.150 -3.947 -44.292 1.00 62.97 H +ATOM 656 HG11 VAL A 39 -45.487 -1.732 -44.634 1.00 66.72 H +ATOM 657 HG12 VAL A 39 -46.760 -2.081 -45.518 1.00 66.72 H +ATOM 658 HG13 VAL A 39 -46.928 -1.238 -44.182 1.00 66.72 H +ATOM 659 HG21 VAL A 39 -45.089 -2.897 -42.518 1.00 65.54 H +ATOM 660 HG22 VAL A 39 -46.502 -2.466 -41.934 1.00 65.54 H +ATOM 661 HG23 VAL A 39 -46.103 -4.002 -41.993 1.00 65.54 H +ATOM 662 N ARG A 40 -49.651 -2.536 -45.299 1.00 56.28 N +ATOM 663 CA ARG A 40 -50.447 -2.388 -46.523 1.00 59.27 C +ATOM 664 C ARG A 40 -51.025 -3.724 -46.987 1.00 51.57 C +ATOM 665 O ARG A 40 -50.929 -4.120 -48.160 1.00 51.79 O +ATOM 666 CB ARG A 40 -49.608 -1.729 -47.622 1.00 67.64 C +ATOM 667 CG ARG A 40 -48.958 -0.462 -47.131 1.00 62.93 C +ATOM 668 CD ARG A 40 -48.250 0.327 -48.203 1.00 72.03 C +ATOM 669 NE ARG A 40 -47.072 0.837 -47.541 1.00 68.59 N +ATOM 670 CZ ARG A 40 -45.906 0.212 -47.517 1.00 62.56 C +ATOM 671 NH1 ARG A 40 -45.732 -0.925 -48.204 1.00 64.03 N +ATOM 672 NH2 ARG A 40 -44.916 0.748 -46.820 1.00 51.53 N +ATOM 673 H ARG A 40 -49.821 -1.937 -44.705 1.00 67.54 H +ATOM 674 HA ARG A 40 -51.194 -1.798 -46.334 1.00 71.13 H +ATOM 675 HB2 ARG A 40 -48.910 -2.341 -47.902 1.00 81.17 H +ATOM 676 HB3 ARG A 40 -50.181 -1.506 -48.372 1.00 81.17 H +ATOM 677 HG2 ARG A 40 -49.641 0.109 -46.746 1.00 75.51 H +ATOM 678 HG3 ARG A 40 -48.303 -0.691 -46.453 1.00 75.51 H +ATOM 679 HD2 ARG A 40 -47.988 -0.251 -48.937 1.00 86.44 H +ATOM 680 HD3 ARG A 40 -48.801 1.066 -48.505 1.00 86.44 H +ATOM 681 HE ARG A 40 -47.148 1.565 -47.090 1.00 82.31 H +ATOM 682 HH11 ARG A 40 -46.389 -1.270 -48.639 1.00 76.84 H +ATOM 683 HH12 ARG A 40 -44.968 -1.320 -48.195 1.00 76.84 H +ATOM 684 HH21 ARG A 40 -45.038 1.488 -46.400 1.00 61.84 H +ATOM 685 HH22 ARG A 40 -44.141 0.376 -46.819 1.00 61.84 H +ATOM 686 N GLY A 41 -51.667 -4.403 -46.054 1.00 47.57 N +ATOM 687 CA GLY A 41 -52.355 -5.642 -46.333 1.00 52.02 C +ATOM 688 C GLY A 41 -51.466 -6.757 -46.836 1.00 49.02 C +ATOM 689 O GLY A 41 -51.981 -7.778 -47.301 1.00 53.82 O +ATOM 690 H GLY A 41 -51.717 -4.158 -45.231 1.00 57.09 H +ATOM 691 HA2 GLY A 41 -52.793 -5.949 -45.524 1.00 62.42 H +ATOM 692 HA3 GLY A 41 -53.038 -5.479 -47.002 1.00 62.42 H +ATOM 693 N LYS A 42 -50.148 -6.595 -46.741 1.00 43.86 N +ATOM 694 CA LYS A 42 -49.189 -7.613 -47.162 1.00 49.41 C +ATOM 695 C LYS A 42 -48.350 -8.035 -45.972 1.00 46.80 C +ATOM 696 O LYS A 42 -47.893 -7.189 -45.209 1.00 44.86 O +ATOM 697 CB LYS A 42 -48.218 -7.100 -48.208 1.00 56.66 C +ATOM 698 CG LYS A 42 -48.751 -6.867 -49.617 1.00 73.65 C +ATOM 699 CD LYS A 42 -47.576 -6.664 -50.595 1.00 68.83 C +ATOM 700 CE LYS A 42 -48.052 -6.378 -52.023 1.00 67.72 C +ATOM 701 NZ LYS A 42 -48.852 -5.126 -52.075 1.00 79.35 N +ATOM 702 H LYS A 42 -49.777 -5.885 -46.429 1.00 52.64 H +ATOM 703 HA LYS A 42 -49.656 -8.388 -47.513 1.00 59.29 H +ATOM 704 HB2 LYS A 42 -47.863 -6.253 -47.896 1.00 67.99 H +ATOM 705 HB3 LYS A 42 -47.493 -7.740 -48.282 1.00 67.99 H +ATOM 706 HG2 LYS A 42 -49.261 -7.640 -49.904 1.00 88.37 H +ATOM 707 HG3 LYS A 42 -49.303 -6.070 -49.628 1.00 88.37 H +ATOM 708 HD2 LYS A 42 -47.042 -5.910 -50.299 1.00 82.59 H +ATOM 709 HD3 LYS A 42 -47.035 -7.469 -50.614 1.00 82.59 H +ATOM 710 HE2 LYS A 42 -47.282 -6.273 -52.604 1.00 81.26 H +ATOM 711 HE3 LYS A 42 -48.610 -7.110 -52.329 1.00 81.26 H +ATOM 712 HZ1 LYS A 42 -49.121 -4.972 -52.909 1.00 95.22 H +ATOM 713 HZ2 LYS A 42 -49.566 -5.199 -51.548 1.00 95.22 H +ATOM 714 HZ3 LYS A 42 -48.358 -4.438 -51.799 1.00 95.22 H +ATOM 715 N ARG A 43 -48.137 -9.333 -45.828 1.00 40.05 N +ATOM 716 CA ARG A 43 -47.257 -9.827 -44.800 1.00 48.67 C +ATOM 717 C ARG A 43 -45.807 -9.480 -45.169 1.00 47.96 C +ATOM 718 O ARG A 43 -45.366 -9.738 -46.288 1.00 40.36 O +ATOM 719 CB ARG A 43 -47.468 -11.329 -44.644 1.00 49.33 C +ATOM 720 CG ARG A 43 -47.117 -11.789 -43.257 1.00 58.86 C +ATOM 721 CD ARG A 43 -47.705 -13.114 -42.854 1.00 60.50 C +ATOM 722 NE ARG A 43 -48.101 -13.038 -41.437 1.00 68.81 N +ATOM 723 CZ ARG A 43 -49.351 -13.175 -40.985 1.00 69.80 C +ATOM 724 NH1 ARG A 43 -49.608 -13.069 -39.680 1.00 72.07 N +ATOM 725 NH2 ARG A 43 -50.345 -13.436 -41.826 1.00 71.85 N +ATOM 726 H ARG A 43 -48.493 -9.945 -46.316 1.00 48.07 H +ATOM 727 HA ARG A 43 -47.470 -9.397 -43.957 1.00 58.40 H +ATOM 728 HB2 ARG A 43 -48.401 -11.541 -44.807 1.00 59.20 H +ATOM 729 HB3 ARG A 43 -46.901 -11.800 -45.274 1.00 59.20 H +ATOM 730 HG2 ARG A 43 -46.152 -11.866 -43.194 1.00 70.63 H +ATOM 731 HG3 ARG A 43 -47.432 -11.125 -42.624 1.00 70.63 H +ATOM 732 HD2 ARG A 43 -48.491 -13.303 -43.390 1.00 72.60 H +ATOM 733 HD3 ARG A 43 -47.041 -13.814 -42.957 1.00 72.60 H +ATOM 734 HE ARG A 43 -47.482 -12.895 -40.857 1.00 82.58 H +ATOM 735 HH11 ARG A 43 -48.969 -12.908 -39.128 1.00 86.48 H +ATOM 736 HH12 ARG A 43 -50.411 -13.170 -39.390 1.00 86.48 H +ATOM 737 HH21 ARG A 43 -50.190 -13.502 -42.669 1.00 86.22 H +ATOM 738 HH22 ARG A 43 -51.147 -13.529 -41.528 1.00 86.22 H +ATOM 739 N THR A 44 -45.090 -8.835 -44.251 1.00 42.96 N +ATOM 740 CA THR A 44 -43.704 -8.454 -44.468 1.00 43.27 C +ATOM 741 C THR A 44 -42.947 -8.551 -43.146 1.00 45.01 C +ATOM 742 O THR A 44 -43.527 -8.800 -42.105 1.00 42.72 O +ATOM 743 CB THR A 44 -43.641 -7.046 -45.063 1.00 49.02 C +ATOM 744 OG1 THR A 44 -42.280 -6.610 -45.209 1.00 50.14 O +ATOM 745 CG2 THR A 44 -44.341 -6.104 -44.169 1.00 47.88 C +ATOM 746 H THR A 44 -45.394 -8.603 -43.480 1.00 51.55 H +ATOM 747 HA THR A 44 -43.297 -9.070 -45.098 1.00 51.92 H +ATOM 748 HB THR A 44 -44.081 -7.038 -45.927 1.00 58.83 H +ATOM 749 HG1 THR A 44 -41.864 -7.132 -45.718 1.00 60.17 H +ATOM 750 HG21 THR A 44 -44.306 -5.208 -44.540 1.00 57.45 H +ATOM 751 HG22 THR A 44 -45.269 -6.368 -44.071 1.00 57.45 H +ATOM 752 HG23 THR A 44 -43.919 -6.101 -43.296 1.00 57.45 H +ATOM 753 N ALA A 45 -41.632 -8.355 -43.193 1.00 46.22 N +ATOM 754 CA ALA A 45 -40.819 -8.374 -41.990 1.00 39.33 C +ATOM 755 C ALA A 45 -40.520 -6.948 -41.562 1.00 40.22 C +ATOM 756 O ALA A 45 -40.225 -6.076 -42.389 1.00 39.19 O +ATOM 757 CB ALA A 45 -39.525 -9.150 -42.200 1.00 43.78 C +ATOM 758 H ALA A 45 -41.187 -8.209 -43.915 1.00 55.46 H +ATOM 759 HA ALA A 45 -41.317 -8.805 -41.278 1.00 47.20 H +ATOM 760 HB1 ALA A 45 -39.013 -9.139 -41.376 1.00 52.53 H +ATOM 761 HB2 ALA A 45 -39.741 -10.064 -42.443 1.00 52.53 H +ATOM 762 HB3 ALA A 45 -39.017 -8.730 -42.911 1.00 52.53 H +ATOM 763 N VAL A 46 -40.620 -6.728 -40.256 1.00 31.86 N +ATOM 764 CA VAL A 46 -40.375 -5.447 -39.608 1.00 34.05 C +ATOM 765 C VAL A 46 -39.455 -5.692 -38.415 1.00 39.08 C +ATOM 766 O VAL A 46 -39.489 -6.761 -37.789 1.00 39.29 O +ATOM 767 CB VAL A 46 -41.702 -4.816 -39.106 1.00 37.62 C +ATOM 768 CG1 VAL A 46 -42.705 -4.661 -40.206 1.00 42.15 C +ATOM 769 CG2 VAL A 46 -42.284 -5.715 -38.102 1.00 37.09 C +ATOM 770 H VAL A 46 -40.842 -7.342 -39.696 1.00 38.24 H +ATOM 771 HA VAL A 46 -39.943 -4.835 -40.224 1.00 40.86 H +ATOM 772 HB VAL A 46 -41.533 -3.951 -38.701 1.00 45.15 H +ATOM 773 HG11 VAL A 46 -43.512 -4.264 -39.843 1.00 50.59 H +ATOM 774 HG12 VAL A 46 -42.333 -4.085 -40.893 1.00 50.59 H +ATOM 775 HG13 VAL A 46 -42.903 -5.534 -40.578 1.00 50.59 H +ATOM 776 HG21 VAL A 46 -43.115 -5.332 -37.780 1.00 44.51 H +ATOM 777 HG22 VAL A 46 -42.453 -6.577 -38.512 1.00 44.51 H +ATOM 778 HG23 VAL A 46 -41.658 -5.814 -37.368 1.00 44.51 H +ATOM 779 N SER A 47 -38.689 -4.668 -38.047 1.00 43.07 N +ATOM 780 CA SER A 47 -37.991 -4.642 -36.771 1.00 37.99 C +ATOM 781 C SER A 47 -38.686 -3.623 -35.886 1.00 35.65 C +ATOM 782 O SER A 47 -38.931 -2.495 -36.322 1.00 41.86 O +ATOM 783 CB SER A 47 -36.511 -4.264 -36.952 1.00 45.07 C +ATOM 784 OG SER A 47 -35.818 -4.291 -35.694 1.00 37.95 O +ATOM 785 H SER A 47 -38.557 -3.968 -38.528 1.00 51.68 H +ATOM 786 HA SER A 47 -38.043 -5.514 -36.347 1.00 45.59 H +ATOM 787 HB2 SER A 47 -36.094 -4.899 -37.556 1.00 54.09 H +ATOM 788 HB3 SER A 47 -36.457 -3.369 -37.323 1.00 54.09 H +ATOM 789 HG SER A 47 -35.857 -5.061 -35.361 1.00 45.54 H +ATOM 790 N GLU A 48 -39.054 -4.023 -34.678 1.00 32.05 N +ATOM 791 CA GLU A 48 -39.728 -3.104 -33.780 1.00 36.60 C +ATOM 792 C GLU A 48 -39.194 -3.346 -32.374 1.00 35.03 C +ATOM 793 O GLU A 48 -38.612 -4.401 -32.108 1.00 30.68 O +ATOM 794 CB GLU A 48 -41.251 -3.299 -33.824 1.00 34.21 C +ATOM 795 CG GLU A 48 -41.695 -4.682 -33.321 1.00 39.31 C +ATOM 796 CD GLU A 48 -43.238 -4.890 -33.356 1.00 44.62 C +ATOM 797 OE1 GLU A 48 -43.768 -4.835 -34.482 1.00 46.59 O +ATOM 798 OE2 GLU A 48 -43.912 -5.108 -32.279 1.00 41.78 O +ATOM 799 H GLU A 48 -38.928 -4.812 -34.358 1.00 38.46 H +ATOM 800 HA GLU A 48 -39.525 -2.191 -34.036 1.00 43.92 H +ATOM 801 HB2 GLU A 48 -41.671 -2.628 -33.263 1.00 41.05 H +ATOM 802 HB3 GLU A 48 -41.555 -3.202 -34.740 1.00 41.05 H +ATOM 803 HG2 GLU A 48 -41.291 -5.363 -33.881 1.00 47.17 H +ATOM 804 HG3 GLU A 48 -41.401 -4.791 -32.404 1.00 47.17 H +ATOM 805 N PRO A 49 -39.433 -2.413 -31.448 1.00 37.63 N +ATOM 806 CA PRO A 49 -38.917 -2.572 -30.074 1.00 34.51 C +ATOM 807 C PRO A 49 -39.535 -3.799 -29.422 1.00 34.07 C +ATOM 808 O PRO A 49 -40.726 -4.041 -29.531 1.00 30.58 O +ATOM 809 CB PRO A 49 -39.377 -1.290 -29.382 1.00 33.99 C +ATOM 810 CG PRO A 49 -39.631 -0.335 -30.415 1.00 37.73 C +ATOM 811 CD PRO A 49 -40.249 -1.197 -31.542 1.00 35.18 C +ATOM 812 HA PRO A 49 -37.949 -2.633 -30.064 1.00 41.41 H +ATOM 813 HB2 PRO A 49 -40.187 -1.468 -28.879 1.00 40.79 H +ATOM 814 HB3 PRO A 49 -38.675 -0.972 -28.792 1.00 40.79 H +ATOM 815 HG2 PRO A 49 -40.260 0.334 -30.103 1.00 45.27 H +ATOM 816 HG3 PRO A 49 -38.799 0.072 -30.704 1.00 45.27 H +ATOM 817 HD2 PRO A 49 -41.180 -1.392 -31.354 1.00 42.21 H +ATOM 818 HD3 PRO A 49 -40.133 -0.770 -32.405 1.00 42.21 H +ATOM 819 N LEU A 50 -38.711 -4.630 -28.813 1.00 27.71 N +ATOM 820 CA LEU A 50 -39.278 -5.801 -28.146 1.00 32.78 C +ATOM 821 C LEU A 50 -40.297 -5.386 -27.077 1.00 36.16 C +ATOM 822 O LEU A 50 -41.363 -6.006 -26.936 1.00 36.88 O +ATOM 823 CB LEU A 50 -38.131 -6.589 -27.520 1.00 37.41 C +ATOM 824 CG LEU A 50 -38.295 -7.954 -26.926 1.00 30.69 C +ATOM 825 CD1 LEU A 50 -38.844 -8.952 -27.942 1.00 28.82 C +ATOM 826 CD2 LEU A 50 -36.892 -8.362 -26.519 1.00 39.32 C +ATOM 827 H LEU A 50 -37.856 -4.552 -28.767 1.00 33.25 H +ATOM 828 HA LEU A 50 -39.723 -6.365 -28.798 1.00 39.34 H +ATOM 829 HB2 LEU A 50 -37.451 -6.682 -28.205 1.00 44.89 H +ATOM 830 HB3 LEU A 50 -37.770 -6.036 -26.809 1.00 44.89 H +ATOM 831 HG LEU A 50 -38.869 -7.925 -26.145 1.00 36.83 H +ATOM 832 HD11 LEU A 50 -38.933 -9.819 -27.515 1.00 34.58 H +ATOM 833 HD12 LEU A 50 -39.710 -8.644 -28.250 1.00 34.58 H +ATOM 834 HD13 LEU A 50 -38.228 -9.013 -28.689 1.00 34.58 H +ATOM 835 HD21 LEU A 50 -36.923 -9.247 -26.122 1.00 47.18 H +ATOM 836 HD22 LEU A 50 -36.326 -8.372 -27.307 1.00 47.18 H +ATOM 837 HD23 LEU A 50 -36.552 -7.722 -25.875 1.00 47.18 H +ATOM 838 N PHE A 51 -39.989 -4.332 -26.327 1.00 31.78 N +ATOM 839 CA PHE A 51 -40.766 -3.897 -25.163 1.00 32.77 C +ATOM 840 C PHE A 51 -40.933 -2.390 -25.285 1.00 33.86 C +ATOM 841 O PHE A 51 -40.052 -1.631 -24.879 1.00 31.99 O +ATOM 842 CB PHE A 51 -40.063 -4.230 -23.869 1.00 25.67 C +ATOM 843 CG PHE A 51 -39.622 -5.651 -23.738 1.00 29.86 C +ATOM 844 CD1 PHE A 51 -40.533 -6.677 -23.726 1.00 31.43 C +ATOM 845 CD2 PHE A 51 -38.244 -5.960 -23.579 1.00 29.71 C +ATOM 846 CE1 PHE A 51 -40.130 -8.005 -23.575 1.00 32.08 C +ATOM 847 CE2 PHE A 51 -37.828 -7.282 -23.473 1.00 29.54 C +ATOM 848 CZ PHE A 51 -38.777 -8.307 -23.408 1.00 28.65 C +ATOM 849 H PHE A 51 -39.306 -3.832 -26.477 1.00 38.14 H +ATOM 850 HA PHE A 51 -41.640 -4.317 -25.169 1.00 39.33 H +ATOM 851 HB2 PHE A 51 -39.274 -3.670 -23.794 1.00 30.80 H +ATOM 852 HB3 PHE A 51 -40.666 -4.041 -23.133 1.00 30.80 H +ATOM 853 HD1 PHE A 51 -41.439 -6.482 -23.807 1.00 37.71 H +ATOM 854 HD2 PHE A 51 -37.613 -5.277 -23.595 1.00 35.65 H +ATOM 855 HE1 PHE A 51 -40.764 -8.685 -23.566 1.00 38.49 H +ATOM 856 HE2 PHE A 51 -36.926 -7.476 -23.357 1.00 35.45 H +ATOM 857 HZ PHE A 51 -38.503 -9.193 -23.338 1.00 34.38 H +ATOM 858 N PRO A 52 -41.988 -1.924 -25.937 1.00 35.49 N +ATOM 859 CA PRO A 52 -42.027 -0.512 -26.332 1.00 33.53 C +ATOM 860 C PRO A 52 -41.901 0.402 -25.136 1.00 36.28 C +ATOM 861 O PRO A 52 -42.551 0.203 -24.109 1.00 36.36 O +ATOM 862 CB PRO A 52 -43.401 -0.369 -27.018 1.00 41.06 C +ATOM 863 CG PRO A 52 -43.598 -1.690 -27.711 1.00 36.56 C +ATOM 864 CD PRO A 52 -42.962 -2.732 -26.696 1.00 38.37 C +ATOM 865 HA PRO A 52 -41.322 -0.316 -26.969 1.00 40.24 H +ATOM 866 HB2 PRO A 52 -44.090 -0.222 -26.351 1.00 49.27 H +ATOM 867 HB3 PRO A 52 -43.377 0.359 -27.659 1.00 49.27 H +ATOM 868 HG2 PRO A 52 -44.544 -1.860 -27.839 1.00 43.87 H +ATOM 869 HG3 PRO A 52 -43.124 -1.694 -28.558 1.00 43.87 H +ATOM 870 HD2 PRO A 52 -43.644 -3.085 -26.103 1.00 46.04 H +ATOM 871 HD3 PRO A 52 -42.509 -3.441 -27.179 1.00 46.04 H +ATOM 872 N ASN A 53 -41.025 1.393 -25.267 1.00 37.06 N +ATOM 873 CA ASN A 53 -40.796 2.469 -24.324 1.00 41.02 C +ATOM 874 C ASN A 53 -40.051 2.022 -23.077 1.00 39.62 C +ATOM 875 O ASN A 53 -39.774 2.854 -22.231 1.00 39.91 O +ATOM 876 CB ASN A 53 -42.093 3.145 -23.899 1.00 34.27 C +ATOM 877 CG ASN A 53 -42.824 3.683 -25.078 1.00 48.24 C +ATOM 878 OD1 ASN A 53 -42.259 4.441 -25.877 1.00 49.35 O +ATOM 879 ND2 ASN A 53 -44.072 3.241 -25.257 1.00 54.69 N +ATOM 880 H ASN A 53 -40.514 1.460 -25.956 1.00 44.48 H +ATOM 881 HA ASN A 53 -40.250 3.142 -24.759 1.00 49.22 H +ATOM 882 HB2 ASN A 53 -42.663 2.499 -23.455 1.00 41.13 H +ATOM 883 HB3 ASN A 53 -41.890 3.883 -23.303 1.00 41.13 H +ATOM 884 HD21 ASN A 53 -44.534 3.517 -25.928 1.00 65.63 H +ATOM 885 HD22 ASN A 53 -44.424 2.704 -24.685 1.00 65.63 H +ATOM 886 N TYR A 54 -39.696 0.751 -22.964 1.00 37.66 N +ATOM 887 CA TYR A 54 -38.878 0.254 -21.878 1.00 33.82 C +ATOM 888 C TYR A 54 -37.416 0.227 -22.280 1.00 40.39 C +ATOM 889 O TYR A 54 -37.072 0.060 -23.464 1.00 34.21 O +ATOM 890 CB TYR A 54 -39.317 -1.154 -21.502 1.00 38.34 C +ATOM 891 CG TYR A 54 -40.543 -1.179 -20.691 1.00 38.14 C +ATOM 892 CD1 TYR A 54 -40.502 -0.935 -19.306 1.00 34.28 C +ATOM 893 CD2 TYR A 54 -41.765 -1.429 -21.299 1.00 38.08 C +ATOM 894 CE1 TYR A 54 -41.663 -0.963 -18.567 1.00 33.71 C +ATOM 895 CE2 TYR A 54 -42.890 -1.459 -20.604 1.00 31.95 C +ATOM 896 CZ TYR A 54 -42.846 -1.220 -19.209 1.00 35.70 C +ATOM 897 OH TYR A 54 -43.987 -1.265 -18.497 1.00 40.40 O +ATOM 898 H TYR A 54 -39.926 0.140 -23.524 1.00 45.20 H +ATOM 899 HA TYR A 54 -38.978 0.829 -21.103 1.00 40.59 H +ATOM 900 HB2 TYR A 54 -39.484 -1.659 -22.313 1.00 46.01 H +ATOM 901 HB3 TYR A 54 -38.611 -1.577 -20.989 1.00 46.01 H +ATOM 902 HD1 TYR A 54 -39.689 -0.764 -18.888 1.00 41.14 H +ATOM 903 HD2 TYR A 54 -41.792 -1.588 -22.215 1.00 45.70 H +ATOM 904 HE1 TYR A 54 -41.645 -0.811 -17.650 1.00 40.45 H +ATOM 905 HE2 TYR A 54 -43.699 -1.636 -21.026 1.00 38.34 H +ATOM 906 HH TYR A 54 -44.636 -1.429 -19.004 1.00 48.48 H +ATOM 907 N LEU A 55 -36.563 0.340 -21.266 1.00 33.91 N +ATOM 908 CA LEU A 55 -35.116 0.395 -21.410 1.00 33.91 C +ATOM 909 C LEU A 55 -34.456 -0.316 -20.226 1.00 35.80 C +ATOM 910 O LEU A 55 -34.675 0.034 -19.056 1.00 32.45 O +ATOM 911 CB LEU A 55 -34.690 1.850 -21.484 1.00 33.89 C +ATOM 912 CG LEU A 55 -33.307 2.197 -21.931 1.00 40.55 C +ATOM 913 CD1 LEU A 55 -33.137 1.691 -23.319 1.00 37.29 C +ATOM 914 CD2 LEU A 55 -33.145 3.727 -21.846 1.00 39.20 C +ATOM 915 H LEU A 55 -36.817 0.389 -20.446 1.00 40.69 H +ATOM 916 HA LEU A 55 -34.850 -0.050 -22.229 1.00 40.69 H +ATOM 917 HB2 LEU A 55 -35.297 2.300 -22.092 1.00 40.67 H +ATOM 918 HB3 LEU A 55 -34.797 2.231 -20.599 1.00 40.67 H +ATOM 919 HG LEU A 55 -32.653 1.774 -21.354 1.00 48.66 H +ATOM 920 HD11 LEU A 55 -32.243 1.908 -23.627 1.00 44.75 H +ATOM 921 HD12 LEU A 55 -33.264 0.729 -23.322 1.00 44.75 H +ATOM 922 HD13 LEU A 55 -33.796 2.114 -23.892 1.00 44.75 H +ATOM 923 HD21 LEU A 55 -32.250 3.966 -22.133 1.00 47.04 H +ATOM 924 HD22 LEU A 55 -33.802 4.147 -22.423 1.00 47.04 H +ATOM 925 HD23 LEU A 55 -33.284 4.008 -20.928 1.00 47.04 H +ATOM 926 N PHE A 56 -33.718 -1.371 -20.517 1.00 31.83 N +ATOM 927 CA PHE A 56 -32.903 -1.997 -19.503 1.00 30.07 C +ATOM 928 C PHE A 56 -31.682 -1.125 -19.327 1.00 35.61 C +ATOM 929 O PHE A 56 -31.082 -0.711 -20.319 1.00 34.34 O +ATOM 930 CB PHE A 56 -32.434 -3.398 -19.915 1.00 33.79 C +ATOM 931 CG PHE A 56 -33.540 -4.418 -20.028 1.00 29.53 C +ATOM 932 CD1 PHE A 56 -34.017 -5.060 -18.893 1.00 34.48 C +ATOM 933 CD2 PHE A 56 -34.076 -4.745 -21.280 1.00 30.92 C +ATOM 934 CE1 PHE A 56 -35.043 -6.003 -18.990 1.00 32.73 C +ATOM 935 CE2 PHE A 56 -35.086 -5.696 -21.383 1.00 34.29 C +ATOM 936 CZ PHE A 56 -35.568 -6.321 -20.235 1.00 30.74 C +ATOM 937 H PHE A 56 -33.672 -1.741 -21.292 1.00 38.20 H +ATOM 938 HA PHE A 56 -33.387 -2.050 -18.663 1.00 36.09 H +ATOM 939 HB2 PHE A 56 -31.999 -3.338 -20.780 1.00 40.55 H +ATOM 940 HB3 PHE A 56 -31.803 -3.721 -19.253 1.00 40.55 H +ATOM 941 HD1 PHE A 56 -33.666 -4.844 -18.059 1.00 41.38 H +ATOM 942 HD2 PHE A 56 -33.755 -4.326 -22.045 1.00 37.11 H +ATOM 943 HE1 PHE A 56 -35.362 -6.428 -18.226 1.00 39.28 H +ATOM 944 HE2 PHE A 56 -35.445 -5.906 -22.215 1.00 41.15 H +ATOM 945 HZ PHE A 56 -36.247 -6.953 -20.304 1.00 36.89 H +ATOM 946 N VAL A 57 -31.301 -0.875 -18.070 1.00 27.10 N +ATOM 947 CA VAL A 57 -30.105 -0.118 -17.754 1.00 26.93 C +ATOM 948 C VAL A 57 -29.293 -0.833 -16.681 1.00 38.91 C +ATOM 949 O VAL A 57 -29.835 -1.469 -15.771 1.00 39.60 O +ATOM 950 CB VAL A 57 -30.457 1.293 -17.299 1.00 29.66 C +ATOM 951 CG1 VAL A 57 -31.295 1.935 -18.269 1.00 29.41 C +ATOM 952 CG2 VAL A 57 -31.162 1.257 -15.940 1.00 35.71 C +ATOM 953 H VAL A 57 -31.733 -1.142 -17.376 1.00 32.51 H +ATOM 954 HA VAL A 57 -29.556 -0.048 -18.551 1.00 32.32 H +ATOM 955 HB VAL A 57 -29.644 1.814 -17.207 1.00 35.59 H +ATOM 956 HG11 VAL A 57 -31.507 2.829 -17.960 1.00 35.29 H +ATOM 957 HG12 VAL A 57 -30.822 1.979 -19.114 1.00 35.29 H +ATOM 958 HG13 VAL A 57 -32.110 1.418 -18.372 1.00 35.29 H +ATOM 959 HG21 VAL A 57 -31.376 2.165 -15.672 1.00 42.85 H +ATOM 960 HG22 VAL A 57 -31.975 0.735 -16.021 1.00 42.85 H +ATOM 961 HG23 VAL A 57 -30.570 0.850 -15.289 1.00 42.85 H +ATOM 962 N GLU A 58 -27.981 -0.655 -16.755 1.00 33.64 N +ATOM 963 CA GLU A 58 -27.037 -1.345 -15.896 1.00 35.87 C +ATOM 964 C GLU A 58 -26.150 -0.268 -15.325 1.00 37.35 C +ATOM 965 O GLU A 58 -25.595 0.529 -16.079 1.00 33.61 O +ATOM 966 CB GLU A 58 -26.187 -2.356 -16.646 1.00 32.93 C +ATOM 967 CG GLU A 58 -25.512 -3.366 -15.794 1.00 37.41 C +ATOM 968 CD GLU A 58 -24.414 -4.148 -16.493 1.00 38.70 C +ATOM 969 OE1 GLU A 58 -23.981 -3.737 -17.579 1.00 44.08 O +ATOM 970 OE2 GLU A 58 -23.997 -5.205 -15.972 1.00 44.38 O +ATOM 971 H GLU A 58 -27.604 -0.122 -17.315 1.00 40.37 H +ATOM 972 HA GLU A 58 -27.504 -1.792 -15.174 1.00 43.04 H +ATOM 973 HB2 GLU A 58 -26.755 -2.833 -17.271 1.00 39.52 H +ATOM 974 HB3 GLU A 58 -25.498 -1.878 -17.134 1.00 39.52 H +ATOM 975 HG2 GLU A 58 -25.113 -2.913 -15.034 1.00 44.89 H +ATOM 976 HG3 GLU A 58 -26.175 -4.002 -15.483 1.00 44.89 H +ATOM 977 N PHE A 59 -26.105 -0.195 -14.010 1.00 36.05 N +ATOM 978 CA PHE A 59 -25.235 0.747 -13.329 1.00 37.35 C +ATOM 979 C PHE A 59 -25.045 0.203 -11.925 1.00 38.88 C +ATOM 980 O PHE A 59 -25.710 -0.752 -11.526 1.00 34.70 O +ATOM 981 CB PHE A 59 -25.827 2.150 -13.330 1.00 34.46 C +ATOM 982 CG PHE A 59 -27.113 2.233 -12.631 1.00 40.88 C +ATOM 983 CD1 PHE A 59 -28.279 1.992 -13.326 1.00 37.97 C +ATOM 984 CD2 PHE A 59 -27.170 2.532 -11.274 1.00 39.65 C +ATOM 985 CE1 PHE A 59 -29.514 2.052 -12.677 1.00 34.18 C +ATOM 986 CE2 PHE A 59 -28.366 2.606 -10.593 1.00 37.16 C +ATOM 987 CZ PHE A 59 -29.540 2.368 -11.254 1.00 38.44 C +ATOM 988 H PHE A 59 -26.573 -0.685 -13.481 1.00 43.26 H +ATOM 989 HA PHE A 59 -24.372 0.774 -13.771 1.00 44.82 H +ATOM 990 HB2 PHE A 59 -25.208 2.753 -12.889 1.00 41.35 H +ATOM 991 HB3 PHE A 59 -25.967 2.432 -14.247 1.00 41.35 H +ATOM 992 HD1 PHE A 59 -28.243 1.787 -14.232 1.00 45.56 H +ATOM 993 HD2 PHE A 59 -26.378 2.690 -10.813 1.00 47.57 H +ATOM 994 HE1 PHE A 59 -30.303 1.892 -13.142 1.00 41.01 H +ATOM 995 HE2 PHE A 59 -28.375 2.809 -9.686 1.00 44.59 H +ATOM 996 HZ PHE A 59 -30.350 2.420 -10.801 1.00 46.13 H +ATOM 997 N ASP A 60 -24.082 0.785 -11.204 1.00 41.43 N +ATOM 998 CA ASP A 60 -23.786 0.411 -9.824 1.00 43.12 C +ATOM 999 C ASP A 60 -24.530 1.378 -8.924 1.00 35.46 C +ATOM 1000 O ASP A 60 -24.204 2.574 -8.901 1.00 37.86 O +ATOM 1001 CB ASP A 60 -22.280 0.456 -9.534 1.00 41.09 C +ATOM 1002 CG ASP A 60 -21.962 -0.078 -8.142 1.00 47.97 C +ATOM 1003 OD1 ASP A 60 -22.809 0.075 -7.212 1.00 40.29 O +ATOM 1004 OD2 ASP A 60 -20.903 -0.709 -7.999 1.00 49.19 O +ATOM 1005 H ASP A 60 -23.576 1.413 -11.503 1.00 49.72 H +ATOM 1006 HA ASP A 60 -24.110 -0.487 -9.652 1.00 51.74 H +ATOM 1007 HB2 ASP A 60 -21.813 -0.092 -10.184 1.00 49.31 H +ATOM 1008 HB3 ASP A 60 -21.972 1.374 -9.585 1.00 49.31 H +ATOM 1009 N PRO A 61 -25.552 0.949 -8.203 1.00 37.23 N +ATOM 1010 CA PRO A 61 -26.317 1.916 -7.430 1.00 34.58 C +ATOM 1011 C PRO A 61 -25.518 2.547 -6.305 1.00 42.47 C +ATOM 1012 O PRO A 61 -26.020 3.474 -5.654 1.00 45.02 O +ATOM 1013 CB PRO A 61 -27.480 1.088 -6.896 1.00 37.81 C +ATOM 1014 CG PRO A 61 -26.956 -0.309 -6.859 1.00 42.76 C +ATOM 1015 CD PRO A 61 -26.041 -0.426 -8.039 1.00 38.64 C +ATOM 1016 HA PRO A 61 -26.660 2.614 -8.010 1.00 41.50 H +ATOM 1017 HB2 PRO A 61 -27.719 1.391 -6.006 1.00 45.37 H +ATOM 1018 HB3 PRO A 61 -28.237 1.157 -7.499 1.00 45.37 H +ATOM 1019 HG2 PRO A 61 -26.467 -0.451 -6.033 1.00 51.31 H +ATOM 1020 HG3 PRO A 61 -27.692 -0.935 -6.934 1.00 51.31 H +ATOM 1021 HD2 PRO A 61 -25.307 -1.027 -7.842 1.00 46.37 H +ATOM 1022 HD3 PRO A 61 -26.535 -0.708 -8.825 1.00 46.37 H +ATOM 1023 N GLU A 62 -24.319 2.075 -6.038 1.00 40.50 N +ATOM 1024 CA GLU A 62 -23.460 2.750 -5.058 1.00 45.48 C +ATOM 1025 C GLU A 62 -22.594 3.809 -5.708 1.00 50.54 C +ATOM 1026 O GLU A 62 -22.000 4.630 -5.015 1.00 47.95 O +ATOM 1027 CB GLU A 62 -22.566 1.735 -4.349 1.00 40.34 C +ATOM 1028 CG GLU A 62 -23.352 0.691 -3.596 1.00 50.56 C +ATOM 1029 CD GLU A 62 -22.486 -0.347 -2.920 1.00 58.73 C +ATOM 1030 OE1 GLU A 62 -21.370 -0.016 -2.467 1.00 56.09 O +ATOM 1031 OE2 GLU A 62 -22.937 -1.509 -2.850 1.00 65.10 O +ATOM 1032 H GLU A 62 -23.972 1.375 -6.399 1.00 48.60 H +ATOM 1033 HA GLU A 62 -24.016 3.181 -4.391 1.00 54.57 H +ATOM 1034 HB2 GLU A 62 -22.019 1.280 -5.008 1.00 48.41 H +ATOM 1035 HB3 GLU A 62 -22.001 2.201 -3.713 1.00 48.41 H +ATOM 1036 HG2 GLU A 62 -23.880 1.130 -2.911 1.00 60.68 H +ATOM 1037 HG3 GLU A 62 -23.937 0.230 -4.218 1.00 60.68 H +ATOM 1038 N VAL A 63 -22.506 3.804 -7.030 1.00 39.15 N +ATOM 1039 CA VAL A 63 -21.776 4.821 -7.752 1.00 42.29 C +ATOM 1040 C VAL A 63 -22.712 5.891 -8.248 1.00 44.58 C +ATOM 1041 O VAL A 63 -22.472 7.076 -8.044 1.00 44.49 O +ATOM 1042 CB VAL A 63 -20.998 4.177 -8.916 1.00 44.29 C +ATOM 1043 CG1 VAL A 63 -20.256 5.231 -9.683 1.00 52.59 C +ATOM 1044 CG2 VAL A 63 -20.054 3.133 -8.384 1.00 45.41 C +ATOM 1045 H VAL A 63 -22.868 3.210 -7.536 1.00 46.98 H +ATOM 1046 HA VAL A 63 -21.135 5.236 -7.154 1.00 50.75 H +ATOM 1047 HB VAL A 63 -21.623 3.744 -9.519 1.00 53.15 H +ATOM 1048 HG11 VAL A 63 -19.772 4.809 -10.411 1.00 63.11 H +ATOM 1049 HG12 VAL A 63 -20.893 5.872 -10.036 1.00 63.11 H +ATOM 1050 HG13 VAL A 63 -19.634 5.676 -9.087 1.00 63.11 H +ATOM 1051 HG21 VAL A 63 -19.572 2.737 -9.126 1.00 54.49 H +ATOM 1052 HG22 VAL A 63 -19.432 3.555 -7.771 1.00 54.49 H +ATOM 1053 HG23 VAL A 63 -20.567 2.453 -7.920 1.00 54.49 H +ATOM 1054 N ILE A 64 -23.775 5.473 -8.937 1.00 42.68 N +ATOM 1055 CA ILE A 64 -24.806 6.353 -9.446 1.00 44.38 C +ATOM 1056 C ILE A 64 -26.054 6.003 -8.661 1.00 50.59 C +ATOM 1057 O ILE A 64 -26.411 4.820 -8.576 1.00 51.19 O +ATOM 1058 CB ILE A 64 -25.017 6.151 -10.960 1.00 50.45 C +ATOM 1059 CG1 ILE A 64 -23.665 6.035 -11.673 1.00 55.46 C +ATOM 1060 CG2 ILE A 64 -25.812 7.306 -11.555 1.00 51.60 C +ATOM 1061 CD1 ILE A 64 -23.762 5.549 -13.112 1.00 56.85 C +ATOM 1062 H ILE A 64 -23.918 4.646 -9.126 1.00 51.21 H +ATOM 1063 HA ILE A 64 -24.571 7.279 -9.276 1.00 53.26 H +ATOM 1064 HB ILE A 64 -25.513 5.329 -11.098 1.00 60.55 H +ATOM 1065 HG12 ILE A 64 -23.243 6.908 -11.684 1.00 66.55 H +ATOM 1066 HG13 ILE A 64 -23.109 5.408 -11.185 1.00 66.55 H +ATOM 1067 HG21 ILE A 64 -25.928 7.153 -12.505 1.00 61.92 H +ATOM 1068 HG22 ILE A 64 -26.676 7.352 -11.118 1.00 61.92 H +ATOM 1069 HG23 ILE A 64 -25.323 8.132 -11.410 1.00 61.92 H +ATOM 1070 HD11 ILE A 64 -22.869 5.503 -13.490 1.00 68.23 H +ATOM 1071 HD12 ILE A 64 -24.171 4.669 -13.121 1.00 68.23 H +ATOM 1072 HD13 ILE A 64 -24.305 6.172 -13.620 1.00 68.23 H +ATOM 1073 N HIS A 65 -26.691 7.006 -8.060 1.00 48.58 N +ATOM 1074 CA HIS A 65 -27.890 6.762 -7.268 1.00 51.99 C +ATOM 1075 C HIS A 65 -29.124 6.622 -8.139 1.00 51.36 C +ATOM 1076 O HIS A 65 -29.306 7.352 -9.111 1.00 49.05 O +ATOM 1077 CB HIS A 65 -28.127 7.902 -6.277 1.00 65.41 C +ATOM 1078 CG HIS A 65 -27.380 7.754 -4.983 1.00 66.64 C +ATOM 1079 ND1 HIS A 65 -26.553 6.681 -4.713 1.00 61.93 N +ATOM 1080 CD2 HIS A 65 -27.339 8.548 -3.889 1.00 61.06 C +ATOM 1081 CE1 HIS A 65 -26.033 6.822 -3.506 1.00 68.42 C +ATOM 1082 NE2 HIS A 65 -26.493 7.947 -2.986 1.00 70.33 N +ATOM 1083 H HIS A 65 -26.450 7.830 -8.096 1.00 58.30 H +ATOM 1084 HA HIS A 65 -27.778 5.940 -6.765 1.00 62.39 H +ATOM 1085 HB2 HIS A 65 -27.845 8.735 -6.688 1.00 78.49 H +ATOM 1086 HB3 HIS A 65 -29.073 7.942 -6.069 1.00 78.49 H +ATOM 1087 HD2 HIS A 65 -27.794 9.351 -3.771 1.00 73.27 H +ATOM 1088 HE1 HIS A 65 -25.445 6.231 -3.094 1.00 82.10 H +ATOM 1089 HE2 HIS A 65 -26.297 8.252 -2.207 1.00 84.40 H +ATOM 1090 N THR A 66 -29.997 5.696 -7.752 1.00 45.04 N +ATOM 1091 CA THR A 66 -31.264 5.557 -8.436 1.00 50.04 C +ATOM 1092 C THR A 66 -32.013 6.877 -8.504 1.00 51.49 C +ATOM 1093 O THR A 66 -32.750 7.122 -9.468 1.00 48.17 O +ATOM 1094 CB THR A 66 -32.111 4.497 -7.736 1.00 54.07 C +ATOM 1095 OG1 THR A 66 -32.449 4.955 -6.416 1.00 56.86 O +ATOM 1096 CG2 THR A 66 -31.320 3.166 -7.665 1.00 47.29 C +ATOM 1097 H THR A 66 -29.876 5.145 -7.102 1.00 54.05 H +ATOM 1098 HA THR A 66 -31.101 5.258 -9.345 1.00 60.05 H +ATOM 1099 HB THR A 66 -32.923 4.345 -8.244 1.00 64.88 H +ATOM 1100 HG1 THR A 66 -32.915 4.378 -6.022 1.00 68.23 H +ATOM 1101 HG21 THR A 66 -31.852 2.488 -7.221 1.00 56.75 H +ATOM 1102 HG22 THR A 66 -31.104 2.861 -8.560 1.00 56.75 H +ATOM 1103 HG23 THR A 66 -30.497 3.296 -7.169 1.00 56.75 H +ATOM 1104 N THR A 67 -31.863 7.728 -7.490 1.00 48.52 N +ATOM 1105 CA THR A 67 -32.494 9.040 -7.549 1.00 54.94 C +ATOM 1106 C THR A 67 -31.925 9.841 -8.709 1.00 51.81 C +ATOM 1107 O THR A 67 -32.657 10.586 -9.376 1.00 55.86 O +ATOM 1108 CB THR A 67 -32.306 9.789 -6.224 1.00 54.46 C +ATOM 1109 OG1 THR A 67 -30.918 9.812 -5.891 1.00 54.75 O +ATOM 1110 CG2 THR A 67 -33.076 9.103 -5.091 1.00 52.81 C +ATOM 1111 H THR A 67 -31.411 7.573 -6.774 1.00 58.22 H +ATOM 1112 HA THR A 67 -33.446 8.928 -7.699 1.00 65.93 H +ATOM 1113 HB THR A 67 -32.634 10.698 -6.314 1.00 65.35 H +ATOM 1114 HG1 THR A 67 -30.803 10.220 -5.166 1.00 65.70 H +ATOM 1115 HG21 THR A 67 -32.947 9.588 -4.261 1.00 63.38 H +ATOM 1116 HG22 THR A 67 -34.023 9.082 -5.300 1.00 63.38 H +ATOM 1117 HG23 THR A 67 -32.757 8.194 -4.977 1.00 63.38 H +ATOM 1118 N THR A 68 -30.648 9.638 -9.023 1.00 40.67 N +ATOM 1119 CA THR A 68 -30.070 10.307 -10.190 1.00 53.11 C +ATOM 1120 C THR A 68 -30.659 9.755 -11.499 1.00 49.45 C +ATOM 1121 O THR A 68 -31.001 10.525 -12.406 1.00 44.78 O +ATOM 1122 CB THR A 68 -28.541 10.185 -10.164 1.00 55.96 C +ATOM 1123 OG1 THR A 68 -28.011 10.908 -9.022 1.00 60.24 O +ATOM 1124 CG2 THR A 68 -27.945 10.762 -11.421 1.00 46.29 C +ATOM 1125 H THR A 68 -30.105 9.131 -8.590 1.00 48.81 H +ATOM 1126 HA THR A 68 -30.289 11.251 -10.145 1.00 63.73 H +ATOM 1127 HB THR A 68 -28.290 9.250 -10.104 1.00 67.16 H +ATOM 1128 HG1 THR A 68 -28.221 11.719 -9.072 1.00 72.29 H +ATOM 1129 HG21 THR A 68 -26.979 10.681 -11.397 1.00 55.55 H +ATOM 1130 HG22 THR A 68 -28.283 10.286 -12.196 1.00 55.55 H +ATOM 1131 HG23 THR A 68 -28.181 11.700 -11.499 1.00 55.55 H +ATOM 1132 N ILE A 69 -30.796 8.431 -11.610 1.00 47.17 N +ATOM 1133 CA ILE A 69 -31.438 7.838 -12.787 1.00 46.58 C +ATOM 1134 C ILE A 69 -32.878 8.300 -12.872 1.00 47.95 C +ATOM 1135 O ILE A 69 -33.380 8.604 -13.964 1.00 41.89 O +ATOM 1136 CB ILE A 69 -31.351 6.298 -12.739 1.00 44.01 C +ATOM 1137 CG1 ILE A 69 -29.889 5.813 -12.624 1.00 43.10 C +ATOM 1138 CG2 ILE A 69 -31.986 5.663 -13.967 1.00 45.10 C +ATOM 1139 CD1 ILE A 69 -28.947 6.420 -13.575 1.00 42.84 C +ATOM 1140 H ILE A 69 -30.529 7.860 -11.025 1.00 56.61 H +ATOM 1141 HA ILE A 69 -30.977 8.140 -13.585 1.00 55.90 H +ATOM 1142 HB ILE A 69 -31.835 5.992 -11.955 1.00 52.81 H +ATOM 1143 HG12 ILE A 69 -29.569 6.011 -11.730 1.00 51.72 H +ATOM 1144 HG13 ILE A 69 -29.871 4.854 -12.769 1.00 51.72 H +ATOM 1145 HG21 ILE A 69 -31.911 4.698 -13.897 1.00 54.11 H +ATOM 1146 HG22 ILE A 69 -32.920 5.920 -14.008 1.00 54.11 H +ATOM 1147 HG23 ILE A 69 -31.522 5.975 -14.759 1.00 54.11 H +ATOM 1148 HD11 ILE A 69 -28.063 6.051 -13.422 1.00 51.40 H +ATOM 1149 HD12 ILE A 69 -29.237 6.219 -14.478 1.00 51.40 H +ATOM 1150 HD13 ILE A 69 -28.934 7.380 -13.436 1.00 51.40 H +ATOM 1151 N ASN A 70 -33.564 8.382 -11.713 1.00 45.68 N +ATOM 1152 CA ASN A 70 -34.982 8.768 -11.662 1.00 49.18 C +ATOM 1153 C ASN A 70 -35.175 10.235 -12.021 1.00 50.21 C +ATOM 1154 O ASN A 70 -36.307 10.665 -12.247 1.00 51.46 O +ATOM 1155 CB ASN A 70 -35.561 8.460 -10.263 1.00 55.87 C +ATOM 1156 CG ASN A 70 -37.082 8.411 -10.236 1.00 55.02 C +ATOM 1157 OD1 ASN A 70 -37.752 8.019 -11.214 1.00 59.94 O +ATOM 1158 ND2 ASN A 70 -37.638 8.811 -9.113 1.00 71.57 N +ATOM 1159 H ASN A 70 -33.223 8.217 -10.940 1.00 54.82 H +ATOM 1160 HA ASN A 70 -35.473 8.238 -12.309 1.00 59.01 H +ATOM 1161 HB2 ASN A 70 -35.229 7.597 -9.969 1.00 67.05 H +ATOM 1162 HB3 ASN A 70 -35.274 9.151 -9.646 1.00 67.05 H +ATOM 1163 HD21 ASN A 70 -38.494 8.808 -9.033 1.00 85.88 H +ATOM 1164 HD22 ASN A 70 -37.146 9.075 -8.459 1.00 85.88 H +ATOM 1165 N ALA A 71 -34.087 11.000 -12.090 1.00 47.67 N +ATOM 1166 CA ALA A 71 -34.102 12.383 -12.544 1.00 54.47 C +ATOM 1167 C ALA A 71 -33.333 12.565 -13.860 1.00 52.71 C +ATOM 1168 O ALA A 71 -32.800 13.641 -14.128 1.00 51.46 O +ATOM 1169 CB ALA A 71 -33.515 13.286 -11.464 1.00 53.57 C +ATOM 1170 H ALA A 71 -33.302 10.727 -11.869 1.00 57.20 H +ATOM 1171 HA ALA A 71 -35.021 12.655 -12.695 1.00 65.36 H +ATOM 1172 HB1 ALA A 71 -33.530 14.204 -11.778 1.00 64.28 H +ATOM 1173 HB2 ALA A 71 -34.049 13.203 -10.659 1.00 64.28 H +ATOM 1174 HB3 ALA A 71 -32.602 13.012 -11.285 1.00 64.28 H +ATOM 1175 N THR A 72 -33.263 11.538 -14.693 1.00 49.29 N +ATOM 1176 CA THR A 72 -32.556 11.654 -15.960 1.00 50.69 C +ATOM 1177 C THR A 72 -33.525 11.993 -17.076 1.00 47.43 C +ATOM 1178 O THR A 72 -34.625 11.444 -17.162 1.00 48.71 O +ATOM 1179 CB THR A 72 -31.804 10.380 -16.298 1.00 49.77 C +ATOM 1180 OG1 THR A 72 -30.837 10.169 -15.273 1.00 42.10 O +ATOM 1181 CG2 THR A 72 -31.100 10.494 -17.686 1.00 46.98 C +ATOM 1182 H THR A 72 -33.613 10.766 -14.550 1.00 59.14 H +ATOM 1183 HA THR A 72 -31.909 12.375 -15.895 1.00 60.83 H +ATOM 1184 HB THR A 72 -32.423 9.633 -16.323 1.00 59.73 H +ATOM 1185 HG1 THR A 72 -31.219 10.091 -14.529 1.00 50.52 H +ATOM 1186 HG21 THR A 72 -30.626 9.672 -17.885 1.00 56.38 H +ATOM 1187 HG22 THR A 72 -31.760 10.654 -18.379 1.00 56.38 H +ATOM 1188 HG23 THR A 72 -30.468 11.230 -17.677 1.00 56.38 H +ATOM 1189 N ARG A 73 -33.112 12.916 -17.924 1.00 52.92 N +ATOM 1190 CA ARG A 73 -33.998 13.393 -18.972 1.00 56.31 C +ATOM 1191 C ARG A 73 -34.462 12.228 -19.821 1.00 48.06 C +ATOM 1192 O ARG A 73 -33.667 11.365 -20.199 1.00 54.18 O +ATOM 1193 CB ARG A 73 -33.278 14.441 -19.795 1.00 61.27 C +ATOM 1194 CG ARG A 73 -33.295 15.753 -19.061 1.00 63.01 C +ATOM 1195 CD ARG A 73 -32.072 16.594 -19.295 1.00 70.54 C +ATOM 1196 NE ARG A 73 -32.257 17.876 -18.621 1.00 76.08 N +ATOM 1197 CZ ARG A 73 -31.759 18.196 -17.435 1.00 70.10 C +ATOM 1198 NH1 ARG A 73 -30.996 17.337 -16.772 1.00 68.92 N +ATOM 1199 NH2 ARG A 73 -32.020 19.391 -16.921 1.00 80.26 N +ATOM 1200 H ARG A 73 -32.333 13.280 -17.917 1.00 63.50 H +ATOM 1201 HA ARG A 73 -34.778 13.805 -18.569 1.00 67.58 H +ATOM 1202 HB2 ARG A 73 -32.356 14.173 -19.931 1.00 73.53 H +ATOM 1203 HB3 ARG A 73 -33.730 14.556 -20.646 1.00 73.53 H +ATOM 1204 HG2 ARG A 73 -34.067 16.264 -19.351 1.00 75.61 H +ATOM 1205 HG3 ARG A 73 -33.355 15.577 -18.109 1.00 75.61 H +ATOM 1206 HD2 ARG A 73 -31.292 16.154 -18.923 1.00 84.64 H +ATOM 1207 HD3 ARG A 73 -31.958 16.754 -20.246 1.00 84.64 H +ATOM 1208 HE ARG A 73 -32.727 18.472 -19.026 1.00 91.30 H +ATOM 1209 HH11 ARG A 73 -30.833 16.561 -17.106 1.00 82.70 H +ATOM 1210 HH12 ARG A 73 -30.672 17.553 -16.006 1.00 82.70 H +ATOM 1211 HH21 ARG A 73 -32.509 19.948 -17.356 1.00 96.31 H +ATOM 1212 HH22 ARG A 73 -31.691 19.612 -16.158 1.00 96.31 H +ATOM 1213 N GLY A 74 -35.754 12.175 -20.074 1.00 48.26 N +ATOM 1214 CA GLY A 74 -36.361 11.074 -20.794 1.00 47.48 C +ATOM 1215 C GLY A 74 -36.966 9.993 -19.909 1.00 45.36 C +ATOM 1216 O GLY A 74 -37.864 9.276 -20.354 1.00 51.35 O +ATOM 1217 H GLY A 74 -36.315 12.780 -19.832 1.00 57.91 H +ATOM 1218 HA2 GLY A 74 -37.064 11.420 -21.365 1.00 56.98 H +ATOM 1219 HA3 GLY A 74 -35.691 10.658 -21.359 1.00 56.98 H +ATOM 1220 N VAL A 75 -36.521 9.862 -18.670 1.00 47.07 N +ATOM 1221 CA VAL A 75 -36.960 8.749 -17.843 1.00 42.33 C +ATOM 1222 C VAL A 75 -38.292 9.090 -17.184 1.00 42.76 C +ATOM 1223 O VAL A 75 -38.503 10.202 -16.682 1.00 40.62 O +ATOM 1224 CB VAL A 75 -35.889 8.396 -16.798 1.00 45.72 C +ATOM 1225 CG1 VAL A 75 -36.391 7.338 -15.853 1.00 42.56 C +ATOM 1226 CG2 VAL A 75 -34.627 7.918 -17.496 1.00 43.07 C +ATOM 1227 H VAL A 75 -35.970 10.399 -18.286 1.00 56.49 H +ATOM 1228 HA VAL A 75 -37.095 7.972 -18.407 1.00 50.80 H +ATOM 1229 HB VAL A 75 -35.670 9.187 -16.282 1.00 54.87 H +ATOM 1230 HG11 VAL A 75 -35.695 7.137 -15.207 1.00 51.07 H +ATOM 1231 HG12 VAL A 75 -37.179 7.672 -15.397 1.00 51.07 H +ATOM 1232 HG13 VAL A 75 -36.613 6.542 -16.360 1.00 51.07 H +ATOM 1233 HG21 VAL A 75 -33.960 7.698 -16.826 1.00 51.68 H +ATOM 1234 HG22 VAL A 75 -34.837 7.131 -18.024 1.00 51.68 H +ATOM 1235 HG23 VAL A 75 -34.298 8.625 -18.072 1.00 51.68 H +ATOM 1236 N SER A 76 -39.212 8.137 -17.229 1.00 45.13 N +ATOM 1237 CA SER A 76 -40.481 8.261 -16.537 1.00 45.24 C +ATOM 1238 C SER A 76 -40.386 7.627 -15.161 1.00 44.48 C +ATOM 1239 O SER A 76 -40.622 8.299 -14.155 1.00 51.04 O +ATOM 1240 CB SER A 76 -41.595 7.609 -17.360 1.00 47.32 C +ATOM 1241 OG SER A 76 -42.799 7.642 -16.635 1.00 46.49 O +ATOM 1242 H SER A 76 -39.122 7.398 -17.660 1.00 54.15 H +ATOM 1243 HA SER A 76 -40.695 9.200 -16.426 1.00 54.28 H +ATOM 1244 HB2 SER A 76 -41.708 8.098 -18.190 1.00 56.78 H +ATOM 1245 HB3 SER A 76 -41.358 6.686 -17.544 1.00 56.78 H +ATOM 1246 HG SER A 76 -42.710 7.224 -15.911 1.00 55.78 H +ATOM 1247 N HIS A 77 -40.039 6.338 -15.096 1.00 43.97 N +ATOM 1248 CA HIS A 77 -39.898 5.674 -13.799 1.00 45.49 C +ATOM 1249 C HIS A 77 -39.210 4.319 -13.948 1.00 38.80 C +ATOM 1250 O HIS A 77 -39.114 3.760 -15.042 1.00 34.47 O +ATOM 1251 CB HIS A 77 -41.254 5.472 -13.136 1.00 39.84 C +ATOM 1252 CG HIS A 77 -42.213 4.733 -13.996 1.00 38.93 C +ATOM 1253 ND1 HIS A 77 -42.926 5.336 -15.004 1.00 42.39 N +ATOM 1254 CD2 HIS A 77 -42.559 3.426 -14.018 1.00 42.08 C +ATOM 1255 CE1 HIS A 77 -43.660 4.430 -15.622 1.00 39.39 C +ATOM 1256 NE2 HIS A 77 -43.480 3.266 -15.021 1.00 38.03 N +ATOM 1257 H HIS A 77 -39.882 5.834 -15.776 1.00 52.77 H +ATOM 1258 HA HIS A 77 -39.355 6.227 -13.215 1.00 54.59 H +ATOM 1259 HB2 HIS A 77 -41.133 4.966 -12.318 1.00 47.80 H +ATOM 1260 HB3 HIS A 77 -41.639 6.340 -12.935 1.00 47.80 H +ATOM 1261 HD2 HIS A 77 -42.246 2.763 -13.447 1.00 50.50 H +ATOM 1262 HE1 HIS A 77 -44.243 4.592 -16.328 1.00 47.26 H +ATOM 1263 HE2 HIS A 77 -43.855 2.525 -15.242 1.00 45.63 H +ATOM 1264 N PHE A 78 -38.745 3.808 -12.807 1.00 36.30 N +ATOM 1265 CA PHE A 78 -38.302 2.429 -12.634 1.00 35.12 C +ATOM 1266 C PHE A 78 -39.483 1.492 -12.564 1.00 35.72 C +ATOM 1267 O PHE A 78 -40.511 1.819 -11.979 1.00 37.42 O +ATOM 1268 CB PHE A 78 -37.503 2.259 -11.320 1.00 33.34 C +ATOM 1269 CG PHE A 78 -36.138 2.787 -11.356 1.00 40.57 C +ATOM 1270 CD1 PHE A 78 -35.902 4.093 -11.060 1.00 41.44 C +ATOM 1271 CD2 PHE A 78 -35.068 1.966 -11.699 1.00 39.71 C +ATOM 1272 CE1 PHE A 78 -34.624 4.581 -11.087 1.00 42.20 C +ATOM 1273 CE2 PHE A 78 -33.794 2.446 -11.707 1.00 40.25 C +ATOM 1274 CZ PHE A 78 -33.571 3.756 -11.403 1.00 38.90 C +ATOM 1275 H PHE A 78 -38.676 4.268 -12.084 1.00 43.56 H +ATOM 1276 HA PHE A 78 -37.738 2.168 -13.379 1.00 42.14 H +ATOM 1277 HB2 PHE A 78 -37.976 2.720 -10.610 1.00 40.01 H +ATOM 1278 HB3 PHE A 78 -37.446 1.313 -11.114 1.00 40.01 H +ATOM 1279 HD1 PHE A 78 -36.609 4.654 -10.833 1.00 49.73 H +ATOM 1280 HD2 PHE A 78 -35.222 1.069 -11.893 1.00 47.65 H +ATOM 1281 HE1 PHE A 78 -34.465 5.473 -10.877 1.00 50.64 H +ATOM 1282 HE2 PHE A 78 -33.084 1.890 -11.935 1.00 48.30 H +ATOM 1283 HZ PHE A 78 -32.706 4.096 -11.426 1.00 46.68 H +ATOM 1284 N VAL A 79 -39.335 0.310 -13.162 1.00 34.01 N +ATOM 1285 CA VAL A 79 -40.155 -0.816 -12.747 1.00 34.62 C +ATOM 1286 C VAL A 79 -39.704 -1.200 -11.345 1.00 36.22 C +ATOM 1287 O VAL A 79 -38.496 -1.353 -11.074 1.00 34.54 O +ATOM 1288 CB VAL A 79 -40.032 -1.990 -13.720 1.00 34.53 C +ATOM 1289 CG1 VAL A 79 -40.783 -3.210 -13.211 1.00 34.71 C +ATOM 1290 CG2 VAL A 79 -40.548 -1.594 -15.057 1.00 30.47 C +ATOM 1291 H VAL A 79 -38.779 0.141 -13.796 1.00 40.82 H +ATOM 1292 HA VAL A 79 -41.086 -0.543 -12.708 1.00 41.55 H +ATOM 1293 HB VAL A 79 -39.097 -2.229 -13.815 1.00 41.44 H +ATOM 1294 HG11 VAL A 79 -40.683 -3.931 -13.851 1.00 41.65 H +ATOM 1295 HG12 VAL A 79 -40.413 -3.473 -12.354 1.00 41.65 H +ATOM 1296 HG13 VAL A 79 -41.721 -2.983 -13.111 1.00 41.65 H +ATOM 1297 HG21 VAL A 79 -40.464 -2.346 -15.663 1.00 36.57 H +ATOM 1298 HG22 VAL A 79 -41.480 -1.339 -14.972 1.00 36.57 H +ATOM 1299 HG23 VAL A 79 -40.029 -0.844 -15.386 1.00 36.57 H +ATOM 1300 N ARG A 80 -40.668 -1.352 -10.448 1.00 35.74 N +ATOM 1301 CA ARG A 80 -40.403 -1.613 -9.046 1.00 42.40 C +ATOM 1302 C ARG A 80 -40.765 -3.055 -8.703 1.00 43.13 C +ATOM 1303 O ARG A 80 -41.620 -3.665 -9.349 1.00 47.55 O +ATOM 1304 CB ARG A 80 -41.175 -0.598 -8.192 1.00 44.90 C +ATOM 1305 CG ARG A 80 -40.373 0.674 -8.012 1.00 47.81 C +ATOM 1306 CD ARG A 80 -41.174 1.928 -7.739 1.00 53.92 C +ATOM 1307 NE ARG A 80 -40.344 3.089 -8.065 1.00 61.59 N +ATOM 1308 CZ ARG A 80 -39.279 3.464 -7.366 1.00 58.15 C +ATOM 1309 NH1 ARG A 80 -38.924 2.779 -6.283 1.00 61.97 N +ATOM 1310 NH2 ARG A 80 -38.555 4.511 -7.762 1.00 64.40 N +ATOM 1311 H ARG A 80 -41.506 -1.307 -10.635 1.00 42.89 H +ATOM 1312 HA ARG A 80 -39.456 -1.492 -8.875 1.00 50.88 H +ATOM 1313 HB2 ARG A 80 -42.010 -0.374 -8.633 1.00 53.88 H +ATOM 1314 HB3 ARG A 80 -41.346 -0.978 -7.316 1.00 53.88 H +ATOM 1315 HG2 ARG A 80 -39.767 0.549 -7.265 1.00 57.37 H +ATOM 1316 HG3 ARG A 80 -39.861 0.828 -8.821 1.00 57.37 H +ATOM 1317 HD2 ARG A 80 -41.966 1.943 -8.299 1.00 64.70 H +ATOM 1318 HD3 ARG A 80 -41.413 1.968 -6.800 1.00 64.70 H +ATOM 1319 HE ARG A 80 -40.536 3.535 -8.775 1.00 73.91 H +ATOM 1320 HH11 ARG A 80 -39.384 2.095 -6.036 1.00 74.37 H +ATOM 1321 HH12 ARG A 80 -38.236 3.021 -5.827 1.00 74.37 H +ATOM 1322 HH21 ARG A 80 -38.790 4.957 -8.459 1.00 77.28 H +ATOM 1323 HH22 ARG A 80 -37.874 4.762 -7.301 1.00 77.28 H +ATOM 1324 N PHE A 81 -40.022 -3.624 -7.743 1.00 44.93 N +ATOM 1325 CA PHE A 81 -40.425 -4.818 -7.011 1.00 55.27 C +ATOM 1326 C PHE A 81 -40.672 -4.338 -5.584 1.00 59.58 C +ATOM 1327 O PHE A 81 -39.721 -4.085 -4.829 1.00 56.03 O +ATOM 1328 CB PHE A 81 -39.374 -5.922 -7.030 1.00 50.30 C +ATOM 1329 CG PHE A 81 -39.855 -7.217 -6.396 1.00 61.81 C +ATOM 1330 CD1 PHE A 81 -40.658 -8.111 -7.120 1.00 58.11 C +ATOM 1331 CD2 PHE A 81 -39.539 -7.524 -5.072 1.00 66.96 C +ATOM 1332 CE1 PHE A 81 -41.100 -9.294 -6.558 1.00 56.17 C +ATOM 1333 CE2 PHE A 81 -39.998 -8.712 -4.492 1.00 70.25 C +ATOM 1334 CZ PHE A 81 -40.778 -9.595 -5.235 1.00 63.67 C +ATOM 1335 H PHE A 81 -39.256 -3.321 -7.496 1.00 53.92 H +ATOM 1336 HA PHE A 81 -41.254 -5.166 -7.375 1.00 66.33 H +ATOM 1337 HB2 PHE A 81 -39.133 -6.111 -7.950 1.00 60.36 H +ATOM 1338 HB3 PHE A 81 -38.593 -5.622 -6.539 1.00 60.36 H +ATOM 1339 HD1 PHE A 81 -40.873 -7.917 -8.004 1.00 69.73 H +ATOM 1340 HD2 PHE A 81 -39.016 -6.938 -4.574 1.00 80.36 H +ATOM 1341 HE1 PHE A 81 -41.627 -9.878 -7.054 1.00 67.40 H +ATOM 1342 HE2 PHE A 81 -39.777 -8.915 -3.612 1.00 84.30 H +ATOM 1343 HZ PHE A 81 -41.080 -10.386 -4.851 1.00 76.41 H +ATOM 1344 N GLY A 82 -41.939 -4.201 -5.228 1.00 58.50 N +ATOM 1345 CA GLY A 82 -42.279 -3.555 -3.977 1.00 59.39 C +ATOM 1346 C GLY A 82 -42.131 -2.059 -4.121 1.00 53.64 C +ATOM 1347 O GLY A 82 -42.582 -1.475 -5.096 1.00 54.96 O +ATOM 1348 H GLY A 82 -42.613 -4.471 -5.689 1.00 70.21 H +ATOM 1349 HA2 GLY A 82 -43.196 -3.761 -3.735 1.00 71.26 H +ATOM 1350 HA3 GLY A 82 -41.689 -3.865 -3.271 1.00 71.26 H +ATOM 1351 N ALA A 83 -41.489 -1.424 -3.157 1.00 54.78 N +ATOM 1352 CA ALA A 83 -41.374 0.027 -3.193 1.00 56.53 C +ATOM 1353 C ALA A 83 -40.093 0.503 -3.845 1.00 58.97 C +ATOM 1354 O ALA A 83 -39.867 1.717 -3.930 1.00 59.54 O +ATOM 1355 CB ALA A 83 -41.437 0.596 -1.781 1.00 67.47 C +ATOM 1356 H ALA A 83 -41.116 -1.799 -2.479 1.00 65.74 H +ATOM 1357 HA ALA A 83 -42.119 0.390 -3.696 1.00 67.84 H +ATOM 1358 HB1 ALA A 83 -41.358 1.562 -1.827 1.00 80.96 H +ATOM 1359 HB2 ALA A 83 -42.285 0.352 -1.380 1.00 80.96 H +ATOM 1360 HB3 ALA A 83 -40.705 0.229 -1.261 1.00 80.96 H +ATOM 1361 N SER A 84 -39.254 -0.411 -4.289 1.00 52.97 N +ATOM 1362 CA SER A 84 -37.915 -0.077 -4.732 1.00 54.05 C +ATOM 1363 C SER A 84 -37.695 -0.632 -6.126 1.00 52.69 C +ATOM 1364 O SER A 84 -38.361 -1.593 -6.537 1.00 45.88 O +ATOM 1365 CB SER A 84 -36.878 -0.656 -3.767 1.00 54.58 C +ATOM 1366 OG SER A 84 -36.910 -2.064 -3.882 1.00 62.33 O +ATOM 1367 H SER A 84 -39.439 -1.249 -4.344 1.00 63.57 H +ATOM 1368 HA SER A 84 -37.810 0.887 -4.760 1.00 64.86 H +ATOM 1369 HB2 SER A 84 -35.996 -0.331 -4.006 1.00 65.50 H +ATOM 1370 HB3 SER A 84 -37.101 -0.399 -2.859 1.00 65.50 H +ATOM 1371 HG SER A 84 -36.348 -2.407 -3.360 1.00 74.79 H +ATOM 1372 N PRO A 85 -36.778 -0.035 -6.883 1.00 44.11 N +ATOM 1373 CA PRO A 85 -36.456 -0.522 -8.225 1.00 43.11 C +ATOM 1374 C PRO A 85 -36.247 -2.030 -8.284 1.00 36.61 C +ATOM 1375 O PRO A 85 -35.517 -2.600 -7.489 1.00 43.43 O +ATOM 1376 CB PRO A 85 -35.166 0.237 -8.539 1.00 46.54 C +ATOM 1377 CG PRO A 85 -35.365 1.554 -7.827 1.00 42.50 C +ATOM 1378 CD PRO A 85 -36.020 1.183 -6.546 1.00 54.04 C +ATOM 1379 HA PRO A 85 -37.147 -0.264 -8.856 1.00 51.73 H +ATOM 1380 HB2 PRO A 85 -34.402 -0.242 -8.181 1.00 55.85 H +ATOM 1381 HB3 PRO A 85 -35.081 0.367 -9.497 1.00 55.85 H +ATOM 1382 HG2 PRO A 85 -34.506 1.975 -7.666 1.00 51.00 H +ATOM 1383 HG3 PRO A 85 -35.940 2.131 -8.354 1.00 51.00 H +ATOM 1384 HD2 PRO A 85 -35.352 0.989 -5.870 1.00 64.85 H +ATOM 1385 HD3 PRO A 85 -36.622 1.887 -6.259 1.00 64.85 H +ATOM 1386 N ALA A 86 -36.915 -2.687 -9.228 1.00 35.54 N +ATOM 1387 CA ALA A 86 -36.630 -4.097 -9.459 1.00 36.56 C +ATOM 1388 C ALA A 86 -35.211 -4.244 -9.995 1.00 41.49 C +ATOM 1389 O ALA A 86 -34.839 -3.555 -10.936 1.00 40.55 O +ATOM 1390 CB ALA A 86 -37.609 -4.685 -10.465 1.00 35.82 C +ATOM 1391 H ALA A 86 -37.521 -2.349 -9.736 1.00 42.65 H +ATOM 1392 HA ALA A 86 -36.704 -4.589 -8.626 1.00 43.87 H +ATOM 1393 HB1 ALA A 86 -37.398 -5.622 -10.600 1.00 42.99 H +ATOM 1394 HB2 ALA A 86 -38.511 -4.596 -10.118 1.00 42.99 H +ATOM 1395 HB3 ALA A 86 -37.528 -4.204 -11.303 1.00 42.99 H +ATOM 1396 N ILE A 87 -34.429 -5.124 -9.388 1.00 36.85 N +ATOM 1397 CA ILE A 87 -33.145 -5.541 -9.933 1.00 37.05 C +ATOM 1398 C ILE A 87 -33.456 -6.719 -10.830 1.00 44.98 C +ATOM 1399 O ILE A 87 -33.998 -7.730 -10.368 1.00 42.60 O +ATOM 1400 CB ILE A 87 -32.164 -5.918 -8.821 1.00 42.78 C +ATOM 1401 CG1 ILE A 87 -31.717 -4.640 -8.119 1.00 40.18 C +ATOM 1402 CG2 ILE A 87 -30.970 -6.742 -9.360 1.00 46.56 C +ATOM 1403 CD1 ILE A 87 -31.977 -4.698 -6.751 1.00 50.19 C +ATOM 1404 H ILE A 87 -34.625 -5.504 -8.641 1.00 44.22 H +ATOM 1405 HA ILE A 87 -32.762 -4.828 -10.467 1.00 44.45 H +ATOM 1406 HB ILE A 87 -32.638 -6.465 -8.175 1.00 51.33 H +ATOM 1407 HG12 ILE A 87 -30.762 -4.522 -8.243 1.00 48.22 H +ATOM 1408 HG13 ILE A 87 -32.200 -3.884 -8.489 1.00 48.22 H +ATOM 1409 HG21 ILE A 87 -30.377 -6.958 -8.624 1.00 55.87 H +ATOM 1410 HG22 ILE A 87 -31.306 -7.558 -9.764 1.00 55.87 H +ATOM 1411 HG23 ILE A 87 -30.497 -6.215 -10.023 1.00 55.87 H +ATOM 1412 HD11 ILE A 87 -31.681 -3.872 -6.338 1.00 60.23 H +ATOM 1413 HD12 ILE A 87 -32.931 -4.813 -6.616 1.00 60.23 H +ATOM 1414 HD13 ILE A 87 -31.496 -5.450 -6.371 1.00 60.23 H +ATOM 1415 N VAL A 88 -33.214 -6.548 -12.123 1.00 35.36 N +ATOM 1416 CA VAL A 88 -33.555 -7.561 -13.093 1.00 34.43 C +ATOM 1417 C VAL A 88 -32.482 -8.622 -12.942 1.00 37.39 C +ATOM 1418 O VAL A 88 -31.302 -8.325 -13.150 1.00 43.63 O +ATOM 1419 CB VAL A 88 -33.623 -6.966 -14.510 1.00 34.21 C +ATOM 1420 CG1 VAL A 88 -33.927 -8.048 -15.535 1.00 42.15 C +ATOM 1421 CG2 VAL A 88 -34.682 -5.865 -14.555 1.00 35.32 C +ATOM 1422 H VAL A 88 -32.850 -5.846 -12.461 1.00 42.44 H +ATOM 1423 HA VAL A 88 -34.416 -7.951 -12.875 1.00 41.32 H +ATOM 1424 HB VAL A 88 -32.765 -6.571 -14.731 1.00 41.05 H +ATOM 1425 HG11 VAL A 88 -33.964 -7.645 -16.417 1.00 50.58 H +ATOM 1426 HG12 VAL A 88 -33.225 -8.717 -15.505 1.00 50.58 H +ATOM 1427 HG13 VAL A 88 -34.781 -8.454 -15.321 1.00 50.58 H +ATOM 1428 HG21 VAL A 88 -34.717 -5.497 -15.452 1.00 42.38 H +ATOM 1429 HG22 VAL A 88 -35.543 -6.245 -14.320 1.00 42.38 H +ATOM 1430 HG23 VAL A 88 -34.443 -5.170 -13.921 1.00 42.38 H +ATOM 1431 N PRO A 89 -32.822 -9.853 -12.599 1.00 38.10 N +ATOM 1432 CA PRO A 89 -31.797 -10.903 -12.535 1.00 41.45 C +ATOM 1433 C PRO A 89 -31.050 -11.057 -13.845 1.00 46.39 C +ATOM 1434 O PRO A 89 -31.621 -10.959 -14.935 1.00 44.37 O +ATOM 1435 CB PRO A 89 -32.597 -12.164 -12.216 1.00 43.05 C +ATOM 1436 CG PRO A 89 -34.002 -11.821 -12.574 1.00 48.59 C +ATOM 1437 CD PRO A 89 -34.145 -10.370 -12.259 1.00 41.10 C +ATOM 1438 HA PRO A 89 -31.169 -10.726 -11.818 1.00 49.74 H +ATOM 1439 HB2 PRO A 89 -32.275 -12.902 -12.757 1.00 51.66 H +ATOM 1440 HB3 PRO A 89 -32.523 -12.370 -11.271 1.00 51.66 H +ATOM 1441 HG2 PRO A 89 -34.147 -11.982 -13.519 1.00 58.31 H +ATOM 1442 HG3 PRO A 89 -34.614 -12.349 -12.038 1.00 58.31 H +ATOM 1443 HD2 PRO A 89 -34.825 -9.964 -12.819 1.00 49.32 H +ATOM 1444 HD3 PRO A 89 -34.331 -10.241 -11.316 1.00 49.32 H +ATOM 1445 N SER A 90 -29.760 -11.336 -13.737 1.00 41.68 N +ATOM 1446 CA SER A 90 -28.953 -11.473 -14.952 1.00 48.26 C +ATOM 1447 C SER A 90 -29.444 -12.616 -15.830 1.00 52.82 C +ATOM 1448 O SER A 90 -29.258 -12.578 -17.045 1.00 53.17 O +ATOM 1449 CB SER A 90 -27.479 -11.661 -14.576 1.00 57.19 C +ATOM 1450 OG SER A 90 -27.377 -12.251 -13.302 1.00 54.67 O +ATOM 1451 H SER A 90 -29.333 -11.449 -12.999 1.00 50.02 H +ATOM 1452 HA SER A 90 -29.024 -10.654 -15.467 1.00 57.92 H +ATOM 1453 HB2 SER A 90 -27.055 -12.240 -15.229 1.00 68.63 H +ATOM 1454 HB3 SER A 90 -27.041 -10.796 -14.562 1.00 68.63 H +ATOM 1455 HG SER A 90 -26.569 -12.354 -13.096 1.00 65.60 H +ATOM 1456 N ALA A 91 -30.095 -13.627 -15.250 1.00 53.21 N +ATOM 1457 CA ALA A 91 -30.606 -14.717 -16.075 1.00 59.02 C +ATOM 1458 C ALA A 91 -31.607 -14.199 -17.097 1.00 56.61 C +ATOM 1459 O ALA A 91 -31.667 -14.689 -18.231 1.00 59.98 O +ATOM 1460 CB ALA A 91 -31.265 -15.777 -15.191 1.00 64.66 C +ATOM 1461 H ALA A 91 -30.249 -13.703 -14.408 1.00 63.85 H +ATOM 1462 HA ALA A 91 -29.870 -15.131 -16.552 1.00 70.83 H +ATOM 1463 HB1 ALA A 91 -31.599 -16.493 -15.754 1.00 77.59 H +ATOM 1464 HB2 ALA A 91 -30.605 -16.123 -14.570 1.00 77.59 H +ATOM 1465 HB3 ALA A 91 -31.997 -15.370 -14.704 1.00 77.59 H +ATOM 1466 N VAL A 92 -32.422 -13.225 -16.690 1.00 50.98 N +ATOM 1467 CA VAL A 92 -33.361 -12.583 -17.588 1.00 47.68 C +ATOM 1468 C VAL A 92 -32.630 -11.891 -18.721 1.00 51.67 C +ATOM 1469 O VAL A 92 -33.010 -12.027 -19.889 1.00 43.57 O +ATOM 1470 CB VAL A 92 -34.240 -11.598 -16.816 1.00 43.30 C +ATOM 1471 CG1 VAL A 92 -35.068 -10.711 -17.756 1.00 48.96 C +ATOM 1472 CG2 VAL A 92 -35.180 -12.384 -15.962 1.00 52.86 C +ATOM 1473 H VAL A 92 -32.444 -12.919 -15.886 1.00 61.18 H +ATOM 1474 HA VAL A 92 -33.939 -13.260 -17.975 1.00 57.22 H +ATOM 1475 HB VAL A 92 -33.691 -11.035 -16.248 1.00 51.96 H +ATOM 1476 HG11 VAL A 92 -35.607 -10.105 -17.224 1.00 58.75 H +ATOM 1477 HG12 VAL A 92 -34.466 -10.206 -18.325 1.00 58.75 H +ATOM 1478 HG13 VAL A 92 -35.641 -11.275 -18.298 1.00 58.75 H +ATOM 1479 HG21 VAL A 92 -35.743 -11.771 -15.465 1.00 63.44 H +ATOM 1480 HG22 VAL A 92 -35.725 -12.949 -16.531 1.00 63.44 H +ATOM 1481 HG23 VAL A 92 -34.665 -12.931 -15.348 1.00 63.44 H +ATOM 1482 N ILE A 93 -31.613 -11.085 -18.373 1.00 45.11 N +ATOM 1483 CA ILE A 93 -30.832 -10.360 -19.362 1.00 46.35 C +ATOM 1484 C ILE A 93 -30.173 -11.345 -20.300 1.00 46.97 C +ATOM 1485 O ILE A 93 -30.157 -11.151 -21.511 1.00 47.74 O +ATOM 1486 CB ILE A 93 -29.773 -9.457 -18.690 1.00 43.91 C +ATOM 1487 CG1 ILE A 93 -30.406 -8.405 -17.776 1.00 45.90 C +ATOM 1488 CG2 ILE A 93 -28.867 -8.802 -19.754 1.00 47.86 C +ATOM 1489 CD1 ILE A 93 -31.302 -7.450 -18.436 1.00 42.93 C +ATOM 1490 H ILE A 93 -31.362 -10.947 -17.562 1.00 54.13 H +ATOM 1491 HA ILE A 93 -31.424 -9.795 -19.883 1.00 55.62 H +ATOM 1492 HB ILE A 93 -29.213 -10.025 -18.138 1.00 52.69 H +ATOM 1493 HG12 ILE A 93 -30.921 -8.862 -17.093 1.00 55.08 H +ATOM 1494 HG13 ILE A 93 -29.695 -7.895 -17.358 1.00 55.08 H +ATOM 1495 HG21 ILE A 93 -28.213 -8.242 -19.309 1.00 57.43 H +ATOM 1496 HG22 ILE A 93 -28.419 -9.499 -20.259 1.00 57.43 H +ATOM 1497 HG23 ILE A 93 -29.415 -8.264 -20.347 1.00 57.43 H +ATOM 1498 HD11 ILE A 93 -31.647 -6.831 -17.773 1.00 51.52 H +ATOM 1499 HD12 ILE A 93 -30.804 -6.966 -19.113 1.00 51.52 H +ATOM 1500 HD13 ILE A 93 -32.034 -7.936 -18.847 1.00 51.52 H +ATOM 1501 N HIS A 94 -29.635 -12.426 -19.757 1.00 50.82 N +ATOM 1502 CA HIS A 94 -28.942 -13.381 -20.603 1.00 58.69 C +ATOM 1503 C HIS A 94 -29.865 -13.908 -21.698 1.00 57.43 C +ATOM 1504 O HIS A 94 -29.433 -14.110 -22.835 1.00 54.68 O +ATOM 1505 CB HIS A 94 -28.379 -14.514 -19.749 1.00 66.91 C +ATOM 1506 CG HIS A 94 -27.580 -15.500 -20.532 1.00 89.16 C +ATOM 1507 ND1 HIS A 94 -26.323 -15.215 -21.026 1.00 91.64 N +ATOM 1508 CD2 HIS A 94 -27.869 -16.759 -20.935 1.00104.27 C +ATOM 1509 CE1 HIS A 94 -25.866 -16.264 -21.687 1.00 92.46 C +ATOM 1510 NE2 HIS A 94 -26.785 -17.214 -21.646 1.00100.61 N +ATOM 1511 H HIS A 94 -29.657 -12.627 -18.921 1.00 60.99 H +ATOM 1512 HA HIS A 94 -28.196 -12.934 -21.034 1.00 70.43 H +ATOM 1513 HB2 HIS A 94 -27.802 -14.137 -19.067 1.00 80.29 H +ATOM 1514 HB3 HIS A 94 -29.115 -14.990 -19.333 1.00 80.29 H +ATOM 1515 HD2 HIS A 94 -28.651 -17.231 -20.757 1.00125.12 H +ATOM 1516 HE1 HIS A 94 -25.040 -16.324 -22.109 1.00110.95 H +ATOM 1517 HE2 HIS A 94 -26.715 -17.991 -22.007 1.00120.73 H +ATOM 1518 N GLN A 95 -31.158 -14.077 -21.396 1.00 54.77 N +ATOM 1519 CA GLN A 95 -32.068 -14.602 -22.400 1.00 56.35 C +ATOM 1520 C GLN A 95 -32.275 -13.636 -23.543 1.00 50.94 C +ATOM 1521 O GLN A 95 -32.739 -14.050 -24.604 1.00 52.44 O +ATOM 1522 CB GLN A 95 -33.435 -14.947 -21.796 1.00 54.21 C +ATOM 1523 CG GLN A 95 -33.326 -15.982 -20.726 1.00 60.68 C +ATOM 1524 CD GLN A 95 -32.894 -17.333 -21.232 1.00 68.69 C +ATOM 1525 OE1 GLN A 95 -31.970 -17.947 -20.695 1.00 79.60 O +ATOM 1526 NE2 GLN A 95 -33.579 -17.822 -22.244 1.00 61.34 N +ATOM 1527 H GLN A 95 -31.518 -13.899 -20.636 1.00 65.73 H +ATOM 1528 HA GLN A 95 -31.692 -15.418 -22.767 1.00 67.62 H +ATOM 1529 HB2 GLN A 95 -33.821 -14.148 -21.405 1.00 65.05 H +ATOM 1530 HB3 GLN A 95 -34.014 -15.292 -22.493 1.00 65.05 H +ATOM 1531 HG2 GLN A 95 -32.673 -15.688 -20.071 1.00 72.81 H +ATOM 1532 HG3 GLN A 95 -34.192 -16.087 -20.303 1.00 72.81 H +ATOM 1533 HE21 GLN A 95 -34.222 -17.365 -22.588 1.00 73.61 H +ATOM 1534 HE22 GLN A 95 -33.376 -18.591 -22.569 1.00 73.61 H +ATOM 1535 N LEU A 96 -31.947 -12.365 -23.360 1.00 43.86 N +ATOM 1536 CA LEU A 96 -32.044 -11.443 -24.476 1.00 47.66 C +ATOM 1537 C LEU A 96 -30.936 -11.686 -25.497 1.00 49.74 C +ATOM 1538 O LEU A 96 -31.126 -11.391 -26.676 1.00 50.95 O +ATOM 1539 CB LEU A 96 -31.989 -10.009 -23.973 1.00 41.65 C +ATOM 1540 CG LEU A 96 -33.139 -9.616 -23.072 1.00 52.59 C +ATOM 1541 CD1 LEU A 96 -32.772 -8.296 -22.475 1.00 40.50 C +ATOM 1542 CD2 LEU A 96 -34.499 -9.577 -23.879 1.00 50.37 C +ATOM 1543 H LEU A 96 -31.672 -12.020 -22.622 1.00 52.63 H +ATOM 1544 HA LEU A 96 -32.896 -11.574 -24.921 1.00 57.19 H +ATOM 1545 HB2 LEU A 96 -31.168 -9.887 -23.472 1.00 49.98 H +ATOM 1546 HB3 LEU A 96 -31.997 -9.412 -24.738 1.00 49.98 H +ATOM 1547 HG LEU A 96 -33.225 -10.264 -22.356 1.00 63.10 H +ATOM 1548 HD11 LEU A 96 -33.487 -8.006 -21.887 1.00 48.60 H +ATOM 1549 HD12 LEU A 96 -31.949 -8.395 -21.972 1.00 48.60 H +ATOM 1550 HD13 LEU A 96 -32.648 -7.650 -23.188 1.00 48.60 H +ATOM 1551 HD21 LEU A 96 -35.215 -9.322 -23.277 1.00 60.45 H +ATOM 1552 HD22 LEU A 96 -34.422 -8.927 -24.596 1.00 60.45 H +ATOM 1553 HD23 LEU A 96 -34.672 -10.457 -24.248 1.00 60.45 H +ATOM 1554 N SER A 97 -29.792 -12.226 -25.067 1.00 49.29 N +ATOM 1555 CA SER A 97 -28.639 -12.496 -25.962 1.00 51.18 C +ATOM 1556 C SER A 97 -28.309 -13.983 -26.071 1.00 53.98 C +ATOM 1557 O SER A 97 -29.203 -14.831 -26.224 1.00 65.59 O +ATOM 1558 CB SER A 97 -27.386 -11.781 -25.466 1.00 55.33 C +ATOM 1559 OG SER A 97 -26.947 -12.329 -24.247 1.00 64.49 O +ATOM 1560 H SER A 97 -29.648 -12.450 -24.250 1.00 59.14 H +ATOM 1561 HA SER A 97 -28.844 -12.167 -26.851 1.00 61.42 H +ATOM 1562 HB2 SER A 97 -26.684 -11.879 -26.128 1.00 66.39 H +ATOM 1563 HB3 SER A 97 -27.590 -10.841 -25.335 1.00 66.39 H +ATOM 1564 HG SER A 97 -26.258 -11.928 -23.983 1.00 77.38 H +ATOM 1565 N ILE A 118 -29.453 -18.327 -16.937 1.00108.17 N +ATOM 1566 CA ILE A 118 -30.697 -18.881 -17.472 1.00105.62 C +ATOM 1567 C ILE A 118 -31.491 -19.553 -16.332 1.00 96.11 C +ATOM 1568 O ILE A 118 -30.907 -20.128 -15.408 1.00 94.95 O +ATOM 1569 CB ILE A 118 -30.393 -19.851 -18.669 1.00114.70 C +ATOM 1570 CG1 ILE A 118 -31.587 -20.755 -19.004 1.00106.87 C +ATOM 1571 CG2 ILE A 118 -29.182 -20.690 -18.370 1.00137.22 C +ATOM 1572 CD1 ILE A 118 -31.361 -21.659 -20.240 1.00 95.75 C +ATOM 1573 HA ILE A 118 -31.238 -18.153 -17.815 1.00126.74 H +ATOM 1574 HB ILE A 118 -30.198 -19.310 -19.451 1.00137.65 H +ATOM 1575 HG12 ILE A 118 -31.765 -21.331 -18.245 1.00128.24 H +ATOM 1576 HG13 ILE A 118 -32.360 -20.198 -19.183 1.00128.24 H +ATOM 1577 HG21 ILE A 118 -29.014 -21.279 -19.122 1.00164.67 H +ATOM 1578 HG22 ILE A 118 -28.421 -20.105 -18.231 1.00164.67 H +ATOM 1579 HG23 ILE A 118 -29.350 -21.212 -17.571 1.00164.67 H +ATOM 1580 HD11 ILE A 118 -32.154 -22.197 -20.387 1.00114.90 H +ATOM 1581 HD12 ILE A 118 -31.193 -21.099 -21.014 1.00114.90 H +ATOM 1582 HD13 ILE A 118 -30.597 -22.234 -20.075 1.00114.90 H +ATOM 1583 N THR A 119 -32.818 -19.397 -16.385 1.00 94.34 N +ATOM 1584 CA THR A 119 -33.785 -20.027 -15.486 1.00 92.50 C +ATOM 1585 C THR A 119 -34.831 -20.713 -16.353 1.00 95.99 C +ATOM 1586 O THR A 119 -34.904 -20.486 -17.568 1.00 84.80 O +ATOM 1587 CB THR A 119 -34.466 -19.001 -14.542 1.00 89.00 C +ATOM 1588 OG1 THR A 119 -33.482 -18.371 -13.710 1.00 88.38 O +ATOM 1589 CG2 THR A 119 -35.550 -19.635 -13.647 1.00 84.21 C +ATOM 1590 H THR A 119 -33.200 -18.899 -16.973 1.00113.20 H +ATOM 1591 HA THR A 119 -33.339 -20.698 -14.946 1.00111.00 H +ATOM 1592 HB THR A 119 -34.894 -18.320 -15.084 1.00106.80 H +ATOM 1593 HG1 THR A 119 -33.852 -17.816 -13.199 1.00106.05 H +ATOM 1594 HG21 THR A 119 -35.946 -18.958 -13.077 1.00101.05 H +ATOM 1595 HG22 THR A 119 -36.245 -20.030 -14.197 1.00101.05 H +ATOM 1596 HG23 THR A 119 -35.158 -20.326 -13.090 1.00101.05 H +ATOM 1597 N GLU A 120 -35.644 -21.569 -15.730 1.00 91.43 N +ATOM 1598 CA GLU A 120 -36.703 -22.219 -16.488 1.00 86.49 C +ATOM 1599 C GLU A 120 -37.873 -21.270 -16.717 1.00 88.39 C +ATOM 1600 O GLU A 120 -38.297 -21.070 -17.863 1.00 84.34 O +ATOM 1601 CB GLU A 120 -37.157 -23.489 -15.782 1.00 84.46 C +ATOM 1602 CG GLU A 120 -38.321 -24.187 -16.482 1.00 78.69 C +ATOM 1603 CD GLU A 120 -38.005 -24.568 -17.926 1.00 84.70 C +ATOM 1604 OE1 GLU A 120 -36.806 -24.530 -18.323 1.00 80.26 O +ATOM 1605 OE2 GLU A 120 -38.968 -24.908 -18.662 1.00 78.97 O +ATOM 1606 H GLU A 120 -35.603 -21.783 -14.898 1.00109.71 H +ATOM 1607 HA GLU A 120 -36.353 -22.472 -17.357 1.00103.78 H +ATOM 1608 HB2 GLU A 120 -36.414 -24.111 -15.746 1.00101.35 H +ATOM 1609 HB3 GLU A 120 -37.442 -23.263 -14.883 1.00101.35 H +ATOM 1610 HG2 GLU A 120 -38.538 -25.000 -15.999 1.00 94.42 H +ATOM 1611 HG3 GLU A 120 -39.087 -23.592 -16.490 1.00 94.42 H +ATOM 1612 N GLY A 121 -38.413 -20.683 -15.646 1.00 87.57 N +ATOM 1613 CA GLY A 121 -39.369 -19.601 -15.824 1.00 83.27 C +ATOM 1614 C GLY A 121 -38.854 -18.567 -16.804 1.00 82.02 C +ATOM 1615 O GLY A 121 -39.546 -18.180 -17.750 1.00 68.47 O +ATOM 1616 H GLY A 121 -38.245 -20.889 -14.828 1.00105.09 H +ATOM 1617 HA2 GLY A 121 -40.207 -19.957 -16.159 1.00 99.93 H +ATOM 1618 HA3 GLY A 121 -39.535 -19.167 -14.972 1.00 99.93 H +ATOM 1619 N ALA A 122 -37.608 -18.130 -16.617 1.00 84.74 N +ATOM 1620 CA ALA A 122 -37.008 -17.210 -17.572 1.00 76.13 C +ATOM 1621 C ALA A 122 -37.074 -17.788 -18.980 1.00 69.28 C +ATOM 1622 O ALA A 122 -37.633 -17.174 -19.893 1.00 60.03 O +ATOM 1623 CB ALA A 122 -35.566 -16.885 -17.171 1.00 79.78 C +ATOM 1624 H ALA A 122 -37.100 -18.348 -15.958 1.00101.68 H +ATOM 1625 HA ALA A 122 -37.512 -16.381 -17.567 1.00 91.36 H +ATOM 1626 HB1 ALA A 122 -35.189 -16.272 -17.821 1.00 95.73 H +ATOM 1627 HB2 ALA A 122 -35.567 -16.475 -16.292 1.00 95.73 H +ATOM 1628 HB3 ALA A 122 -35.050 -17.707 -17.153 1.00 95.73 H +ATOM 1629 N PHE A 123 -36.531 -18.988 -19.173 1.00 72.92 N +ATOM 1630 CA PHE A 123 -36.476 -19.544 -20.518 1.00 77.29 C +ATOM 1631 C PHE A 123 -37.856 -19.568 -21.153 1.00 69.89 C +ATOM 1632 O PHE A 123 -38.049 -19.090 -22.277 1.00 64.66 O +ATOM 1633 CB PHE A 123 -35.887 -20.952 -20.498 1.00 79.94 C +ATOM 1634 CG PHE A 123 -35.647 -21.494 -21.858 1.00 70.05 C +ATOM 1635 CD1 PHE A 123 -34.441 -21.285 -22.495 1.00 67.86 C +ATOM 1636 CD2 PHE A 123 -36.637 -22.175 -22.516 1.00 71.68 C +ATOM 1637 CE1 PHE A 123 -34.227 -21.763 -23.755 1.00 71.13 C +ATOM 1638 CE2 PHE A 123 -36.439 -22.656 -23.773 1.00 64.38 C +ATOM 1639 CZ PHE A 123 -35.233 -22.453 -24.400 1.00 76.14 C +ATOM 1640 H PHE A 123 -36.196 -19.487 -18.558 1.00 87.51 H +ATOM 1641 HA PHE A 123 -35.902 -18.986 -21.066 1.00 92.74 H +ATOM 1642 HB2 PHE A 123 -35.038 -20.932 -20.030 1.00 95.93 H +ATOM 1643 HB3 PHE A 123 -36.504 -21.546 -20.043 1.00 95.93 H +ATOM 1644 HD1 PHE A 123 -33.765 -20.817 -22.060 1.00 81.43 H +ATOM 1645 HD2 PHE A 123 -37.455 -22.311 -22.096 1.00 86.02 H +ATOM 1646 HE1 PHE A 123 -33.409 -21.625 -24.175 1.00 85.36 H +ATOM 1647 HE2 PHE A 123 -37.117 -23.123 -24.206 1.00 77.25 H +ATOM 1648 HZ PHE A 123 -35.093 -22.786 -25.257 1.00 91.37 H +ATOM 1649 N GLU A 124 -38.834 -20.125 -20.444 1.00 69.31 N +ATOM 1650 CA GLU A 124 -40.167 -20.263 -21.018 1.00 69.36 C +ATOM 1651 C GLU A 124 -40.873 -18.923 -21.093 1.00 61.67 C +ATOM 1652 O GLU A 124 -41.587 -18.640 -22.058 1.00 54.36 O +ATOM 1653 CB GLU A 124 -40.985 -21.254 -20.197 1.00 81.37 C +ATOM 1654 CG GLU A 124 -40.298 -22.605 -20.047 1.00 87.76 C +ATOM 1655 CD GLU A 124 -39.922 -23.228 -21.393 1.00 76.67 C +ATOM 1656 OE1 GLU A 124 -40.548 -22.861 -22.409 1.00 74.63 O +ATOM 1657 OE2 GLU A 124 -39.011 -24.086 -21.429 1.00 77.45 O +ATOM 1658 H GLU A 124 -38.753 -20.427 -19.643 1.00 83.17 H +ATOM 1659 HA GLU A 124 -40.089 -20.612 -21.920 1.00 83.24 H +ATOM 1660 HB2 GLU A 124 -41.124 -20.889 -19.309 1.00 97.64 H +ATOM 1661 HB3 GLU A 124 -41.838 -21.399 -20.635 1.00 97.64 H +ATOM 1662 HG2 GLU A 124 -39.485 -22.491 -19.531 1.00105.31 H +ATOM 1663 HG3 GLU A 124 -40.898 -23.216 -19.591 1.00105.31 H +ATOM 1664 N GLY A 125 -40.676 -18.077 -20.099 1.00 60.10 N +ATOM 1665 CA GLY A 125 -41.230 -16.745 -20.191 1.00 61.71 C +ATOM 1666 C GLY A 125 -40.804 -16.051 -21.467 1.00 54.29 C +ATOM 1667 O GLY A 125 -41.601 -15.373 -22.117 1.00 45.08 O +ATOM 1668 H GLY A 125 -40.237 -18.244 -19.379 1.00 72.12 H +ATOM 1669 HA2 GLY A 125 -42.199 -16.792 -20.172 1.00 74.05 H +ATOM 1670 HA3 GLY A 125 -40.931 -16.215 -19.435 1.00 74.05 H +ATOM 1671 N PHE A 126 -39.552 -16.244 -21.869 1.00 56.74 N +ATOM 1672 CA PHE A 126 -39.095 -15.580 -23.081 1.00 48.96 C +ATOM 1673 C PHE A 126 -39.534 -16.307 -24.325 1.00 51.92 C +ATOM 1674 O PHE A 126 -39.765 -15.671 -25.362 1.00 51.83 O +ATOM 1675 CB PHE A 126 -37.591 -15.417 -23.050 1.00 56.04 C +ATOM 1676 CG PHE A 126 -37.188 -14.145 -22.436 1.00 47.10 C +ATOM 1677 CD1 PHE A 126 -37.214 -12.978 -23.177 1.00 43.83 C +ATOM 1678 CD2 PHE A 126 -36.857 -14.095 -21.122 1.00 48.21 C +ATOM 1679 CE1 PHE A 126 -36.869 -11.785 -22.622 1.00 46.69 C +ATOM 1680 CE2 PHE A 126 -36.505 -12.905 -20.544 1.00 49.03 C +ATOM 1681 CZ PHE A 126 -36.519 -11.748 -21.277 1.00 49.55 C +ATOM 1682 H PHE A 126 -38.967 -16.736 -21.475 1.00 68.09 H +ATOM 1683 HA PHE A 126 -39.484 -14.692 -23.110 1.00 58.76 H +ATOM 1684 HB2 PHE A 126 -37.203 -16.139 -22.531 1.00 67.25 H +ATOM 1685 HB3 PHE A 126 -37.250 -15.437 -23.957 1.00 67.25 H +ATOM 1686 HD1 PHE A 126 -37.453 -13.012 -24.076 1.00 52.60 H +ATOM 1687 HD2 PHE A 126 -36.849 -14.875 -20.616 1.00 57.85 H +ATOM 1688 HE1 PHE A 126 -36.878 -11.006 -23.130 1.00 56.02 H +ATOM 1689 HE2 PHE A 126 -36.268 -12.879 -19.645 1.00 58.83 H +ATOM 1690 HZ PHE A 126 -36.276 -10.943 -20.881 1.00 59.46 H +ATOM 1691 N GLN A 127 -39.664 -17.628 -24.256 1.00 59.63 N +ATOM 1692 CA GLN A 127 -40.275 -18.321 -25.381 1.00 59.83 C +ATOM 1693 C GLN A 127 -41.629 -17.708 -25.677 1.00 51.59 C +ATOM 1694 O GLN A 127 -41.956 -17.446 -26.835 1.00 50.85 O +ATOM 1695 CB GLN A 127 -40.393 -19.815 -25.087 1.00 67.75 C +ATOM 1696 CG GLN A 127 -39.082 -20.574 -25.237 1.00 73.33 C +ATOM 1697 CD GLN A 127 -38.597 -20.573 -26.667 1.00 77.17 C +ATOM 1698 OE1 GLN A 127 -39.268 -21.110 -27.555 1.00 80.18 O +ATOM 1699 NE2 GLN A 127 -37.445 -19.944 -26.910 1.00 71.84 N +ATOM 1700 H GLN A 127 -39.418 -18.126 -23.600 1.00 71.56 H +ATOM 1701 HA GLN A 127 -39.716 -18.211 -26.165 1.00 71.79 H +ATOM 1702 HB2 GLN A 127 -40.700 -19.931 -24.174 1.00 81.30 H +ATOM 1703 HB3 GLN A 127 -41.034 -20.206 -25.702 1.00 81.30 H +ATOM 1704 HG2 GLN A 127 -38.404 -20.151 -24.687 1.00 88.00 H +ATOM 1705 HG3 GLN A 127 -39.212 -21.494 -24.961 1.00 88.00 H +ATOM 1706 HE21 GLN A 127 -37.011 -19.578 -26.264 1.00 86.20 H +ATOM 1707 HE22 GLN A 127 -37.131 -19.915 -27.710 1.00 86.20 H +ATOM 1708 N ALA A 128 -42.414 -17.407 -24.638 1.00 44.61 N +ATOM 1709 CA ALA A 128 -43.697 -16.764 -24.883 1.00 46.68 C +ATOM 1710 C ALA A 128 -43.506 -15.358 -25.426 1.00 50.09 C +ATOM 1711 O ALA A 128 -44.129 -14.973 -26.427 1.00 40.92 O +ATOM 1712 CB ALA A 128 -44.535 -16.745 -23.614 1.00 49.33 C +ATOM 1713 H ALA A 128 -42.230 -17.559 -23.811 1.00 53.54 H +ATOM 1714 HA ALA A 128 -44.181 -17.276 -25.550 1.00 56.01 H +ATOM 1715 HB1 ALA A 128 -45.383 -16.314 -23.803 1.00 59.19 H +ATOM 1716 HB2 ALA A 128 -44.686 -17.658 -23.322 1.00 59.19 H +ATOM 1717 HB3 ALA A 128 -44.058 -16.252 -22.929 1.00 59.19 H +ATOM 1718 N ILE A 129 -42.585 -14.604 -24.829 1.00 44.98 N +ATOM 1719 CA ILE A 129 -42.359 -13.231 -25.272 1.00 41.08 C +ATOM 1720 C ILE A 129 -41.987 -13.204 -26.745 1.00 42.73 C +ATOM 1721 O ILE A 129 -42.539 -12.423 -27.530 1.00 45.69 O +ATOM 1722 CB ILE A 129 -41.283 -12.573 -24.397 1.00 37.02 C +ATOM 1723 CG1 ILE A 129 -41.938 -12.068 -23.099 1.00 41.55 C +ATOM 1724 CG2 ILE A 129 -40.603 -11.440 -25.126 1.00 37.67 C +ATOM 1725 CD1 ILE A 129 -40.970 -11.686 -22.075 1.00 40.09 C +ATOM 1726 H ILE A 129 -42.087 -14.858 -24.176 1.00 53.98 H +ATOM 1727 HA ILE A 129 -43.180 -12.726 -25.163 1.00 49.29 H +ATOM 1728 HB ILE A 129 -40.616 -13.240 -24.169 1.00 44.42 H +ATOM 1729 HG12 ILE A 129 -42.480 -11.290 -23.302 1.00 49.86 H +ATOM 1730 HG13 ILE A 129 -42.496 -12.773 -22.733 1.00 49.86 H +ATOM 1731 HG21 ILE A 129 -39.931 -11.049 -24.545 1.00 45.21 H +ATOM 1732 HG22 ILE A 129 -40.184 -11.788 -25.929 1.00 45.21 H +ATOM 1733 HG23 ILE A 129 -41.267 -10.773 -25.361 1.00 45.21 H +ATOM 1734 HD11 ILE A 129 -41.448 -11.379 -21.289 1.00 48.11 H +ATOM 1735 HD12 ILE A 129 -40.426 -12.457 -21.852 1.00 48.11 H +ATOM 1736 HD13 ILE A 129 -40.410 -10.974 -22.421 1.00 48.11 H +ATOM 1737 N PHE A 130 -41.060 -14.064 -27.145 1.00 41.95 N +ATOM 1738 CA PHE A 130 -40.501 -13.959 -28.478 1.00 42.34 C +ATOM 1739 C PHE A 130 -41.500 -14.370 -29.536 1.00 49.55 C +ATOM 1740 O PHE A 130 -41.328 -14.026 -30.703 1.00 48.03 O +ATOM 1741 CB PHE A 130 -39.233 -14.809 -28.564 1.00 43.68 C +ATOM 1742 CG PHE A 130 -38.074 -14.223 -27.835 1.00 47.61 C +ATOM 1743 CD1 PHE A 130 -37.839 -12.862 -27.858 1.00 45.88 C +ATOM 1744 CD2 PHE A 130 -37.216 -15.029 -27.103 1.00 46.77 C +ATOM 1745 CE1 PHE A 130 -36.771 -12.329 -27.167 1.00 50.49 C +ATOM 1746 CE2 PHE A 130 -36.168 -14.490 -26.412 1.00 50.52 C +ATOM 1747 CZ PHE A 130 -35.943 -13.144 -26.438 1.00 46.59 C +ATOM 1748 H PHE A 130 -40.744 -14.707 -26.669 1.00 50.34 H +ATOM 1749 HA PHE A 130 -40.253 -13.036 -28.644 1.00 50.81 H +ATOM 1750 HB2 PHE A 130 -39.414 -15.682 -28.181 1.00 52.41 H +ATOM 1751 HB3 PHE A 130 -38.981 -14.904 -29.496 1.00 52.41 H +ATOM 1752 HD1 PHE A 130 -38.403 -12.303 -28.342 1.00 55.06 H +ATOM 1753 HD2 PHE A 130 -37.365 -15.946 -27.069 1.00 56.13 H +ATOM 1754 HE1 PHE A 130 -36.619 -11.412 -27.186 1.00 60.59 H +ATOM 1755 HE2 PHE A 130 -35.600 -15.044 -25.926 1.00 60.62 H +ATOM 1756 HZ PHE A 130 -35.219 -12.783 -25.979 1.00 55.91 H +ATOM 1757 N THR A 131 -42.550 -15.076 -29.155 1.00 45.77 N +ATOM 1758 CA THR A 131 -43.587 -15.451 -30.095 1.00 54.98 C +ATOM 1759 C THR A 131 -44.828 -14.563 -29.978 1.00 53.63 C +ATOM 1760 O THR A 131 -45.800 -14.791 -30.693 1.00 49.28 O +ATOM 1761 CB THR A 131 -43.953 -16.920 -29.870 1.00 52.68 C +ATOM 1762 OG1 THR A 131 -44.362 -17.089 -28.505 1.00 50.83 O +ATOM 1763 CG2 THR A 131 -42.736 -17.816 -30.123 1.00 49.99 C +ATOM 1764 H THR A 131 -42.686 -15.353 -28.352 1.00 54.93 H +ATOM 1765 HA THR A 131 -43.241 -15.363 -30.997 1.00 65.98 H +ATOM 1766 HB THR A 131 -44.670 -17.182 -30.468 1.00 63.22 H +ATOM 1767 HG1 THR A 131 -43.736 -16.873 -27.988 1.00 61.00 H +ATOM 1768 HG21 THR A 131 -42.973 -18.746 -29.979 1.00 59.99 H +ATOM 1769 HG22 THR A 131 -42.429 -17.708 -31.037 1.00 59.99 H +ATOM 1770 HG23 THR A 131 -42.017 -17.577 -29.518 1.00 59.99 H +ATOM 1771 N GLU A 132 -44.819 -13.548 -29.106 1.00 46.35 N +ATOM 1772 CA GLU A 132 -45.965 -12.660 -28.959 1.00 38.99 C +ATOM 1773 C GLU A 132 -45.762 -11.493 -29.925 1.00 40.66 C +ATOM 1774 O GLU A 132 -44.762 -10.774 -29.799 1.00 36.00 O +ATOM 1775 CB GLU A 132 -46.069 -12.190 -27.504 1.00 44.16 C +ATOM 1776 CG GLU A 132 -47.004 -11.047 -27.251 1.00 40.75 C +ATOM 1777 CD GLU A 132 -48.410 -11.342 -27.823 1.00 47.01 C +ATOM 1778 OE1 GLU A 132 -49.034 -12.338 -27.403 1.00 44.29 O +ATOM 1779 OE2 GLU A 132 -48.837 -10.607 -28.733 1.00 47.11 O +ATOM 1780 H GLU A 132 -44.158 -13.357 -28.590 1.00 55.62 H +ATOM 1781 HA GLU A 132 -46.780 -13.129 -29.198 1.00 46.78 H +ATOM 1782 HB2 GLU A 132 -46.371 -12.936 -26.963 1.00 53.00 H +ATOM 1783 HB3 GLU A 132 -45.188 -11.913 -27.209 1.00 53.00 H +ATOM 1784 HG2 GLU A 132 -47.087 -10.905 -26.295 1.00 48.90 H +ATOM 1785 HG3 GLU A 132 -46.661 -10.249 -27.682 1.00 48.90 H +ATOM 1786 N PRO A 133 -46.597 -11.327 -30.970 1.00 41.40 N +ATOM 1787 CA PRO A 133 -46.352 -10.249 -31.947 1.00 35.55 C +ATOM 1788 C PRO A 133 -46.731 -8.828 -31.508 1.00 38.36 C +ATOM 1789 O PRO A 133 -46.313 -7.874 -32.182 1.00 41.22 O +ATOM 1790 CB PRO A 133 -47.203 -10.675 -33.191 1.00 44.19 C +ATOM 1791 CG PRO A 133 -48.222 -11.600 -32.706 1.00 41.94 C +ATOM 1792 CD PRO A 133 -47.603 -12.292 -31.460 1.00 47.64 C +ATOM 1793 HA PRO A 133 -45.416 -10.251 -32.200 1.00 42.66 H +ATOM 1794 HB2 PRO A 133 -47.618 -9.891 -33.583 1.00 53.03 H +ATOM 1795 HB3 PRO A 133 -46.630 -11.114 -33.839 1.00 53.03 H +ATOM 1796 HG2 PRO A 133 -49.020 -11.106 -32.461 1.00 50.33 H +ATOM 1797 HG3 PRO A 133 -48.423 -12.253 -33.395 1.00 50.33 H +ATOM 1798 HD2 PRO A 133 -48.284 -12.440 -30.785 1.00 57.17 H +ATOM 1799 HD3 PRO A 133 -47.174 -13.124 -31.716 1.00 57.17 H +ATOM 1800 N ASP A 134 -47.497 -8.626 -30.443 1.00 36.25 N +ATOM 1801 CA ASP A 134 -47.838 -7.280 -29.981 1.00 37.94 C +ATOM 1802 C ASP A 134 -46.889 -6.839 -28.865 1.00 38.38 C +ATOM 1803 O ASP A 134 -46.661 -7.583 -27.911 1.00 36.38 O +ATOM 1804 CB ASP A 134 -49.284 -7.223 -29.471 1.00 40.01 C +ATOM 1805 CG ASP A 134 -49.567 -5.956 -28.691 1.00 47.87 C +ATOM 1806 OD1 ASP A 134 -49.723 -4.892 -29.321 1.00 51.81 O +ATOM 1807 OD2 ASP A 134 -49.584 -6.001 -27.433 1.00 47.62 O +ATOM 1808 H ASP A 134 -47.836 -9.255 -29.965 1.00 43.50 H +ATOM 1809 HA ASP A 134 -47.751 -6.656 -30.719 1.00 45.53 H +ATOM 1810 HB2 ASP A 134 -49.889 -7.252 -30.229 1.00 48.01 H +ATOM 1811 HB3 ASP A 134 -49.444 -7.980 -28.886 1.00 48.01 H +ATOM 1812 N GLY A 135 -46.327 -5.635 -29.000 1.00 36.24 N +ATOM 1813 CA GLY A 135 -45.288 -5.219 -28.089 1.00 38.39 C +ATOM 1814 C GLY A 135 -45.807 -5.013 -26.683 1.00 34.95 C +ATOM 1815 O GLY A 135 -45.160 -5.400 -25.702 1.00 33.95 O +ATOM 1816 H GLY A 135 -46.533 -5.057 -29.603 1.00 43.48 H +ATOM 1817 HA2 GLY A 135 -44.591 -5.893 -28.064 1.00 46.06 H +ATOM 1818 HA3 GLY A 135 -44.900 -4.385 -28.400 1.00 46.06 H +ATOM 1819 N GLU A 136 -46.999 -4.433 -26.562 1.00 39.51 N +ATOM 1820 CA GLU A 136 -47.549 -4.167 -25.234 1.00 40.66 C +ATOM 1821 C GLU A 136 -47.811 -5.465 -24.497 1.00 37.42 C +ATOM 1822 O GLU A 136 -47.540 -5.575 -23.296 1.00 37.78 O +ATOM 1823 CB GLU A 136 -48.827 -3.342 -25.343 1.00 41.23 C +ATOM 1824 CG GLU A 136 -48.585 -1.867 -25.750 1.00 45.63 C +ATOM 1825 CD GLU A 136 -47.640 -1.157 -24.767 1.00 51.35 C +ATOM 1826 OE1 GLU A 136 -47.810 -1.322 -23.520 1.00 51.37 O +ATOM 1827 OE2 GLU A 136 -46.741 -0.438 -25.250 1.00 48.82 O +ATOM 1828 H GLU A 136 -47.500 -4.189 -27.217 1.00 47.41 H +ATOM 1829 HA GLU A 136 -46.904 -3.656 -24.721 1.00 48.79 H +ATOM 1830 HB2 GLU A 136 -49.402 -3.743 -26.013 1.00 49.48 H +ATOM 1831 HB3 GLU A 136 -49.274 -3.342 -24.483 1.00 49.48 H +ATOM 1832 HG2 GLU A 136 -48.181 -1.840 -26.631 1.00 54.76 H +ATOM 1833 HG3 GLU A 136 -49.431 -1.393 -25.753 1.00 54.76 H +ATOM 1834 N ALA A 137 -48.283 -6.480 -25.200 1.00 36.08 N +ATOM 1835 CA ALA A 137 -48.371 -7.780 -24.560 1.00 30.48 C +ATOM 1836 C ALA A 137 -46.995 -8.299 -24.184 1.00 34.14 C +ATOM 1837 O ALA A 137 -46.843 -8.927 -23.130 1.00 37.10 O +ATOM 1838 CB ALA A 137 -49.092 -8.773 -25.455 1.00 39.44 C +ATOM 1839 H ALA A 137 -48.550 -6.448 -26.017 1.00 43.30 H +ATOM 1840 HA ALA A 137 -48.886 -7.690 -23.743 1.00 36.58 H +ATOM 1841 HB1 ALA A 137 -49.136 -9.630 -25.004 1.00 47.33 H +ATOM 1842 HB2 ALA A 137 -49.988 -8.445 -25.632 1.00 47.33 H +ATOM 1843 HB3 ALA A 137 -48.601 -8.861 -26.287 1.00 47.33 H +ATOM 1844 N ARG A 138 -45.964 -8.055 -25.026 1.00 35.45 N +ATOM 1845 CA ARG A 138 -44.645 -8.578 -24.690 1.00 34.07 C +ATOM 1846 C ARG A 138 -44.150 -7.950 -23.382 1.00 33.34 C +ATOM 1847 O ARG A 138 -43.593 -8.643 -22.518 1.00 36.38 O +ATOM 1848 CB ARG A 138 -43.632 -8.342 -25.849 1.00 33.26 C +ATOM 1849 CG ARG A 138 -43.693 -9.370 -27.044 1.00 33.62 C +ATOM 1850 CD ARG A 138 -42.595 -9.239 -28.044 1.00 33.38 C +ATOM 1851 NE ARG A 138 -42.449 -7.884 -28.546 1.00 30.23 N +ATOM 1852 CZ ARG A 138 -42.980 -7.427 -29.675 1.00 37.62 C +ATOM 1853 NH1 ARG A 138 -43.776 -8.219 -30.405 1.00 39.86 N +ATOM 1854 NH2 ARG A 138 -42.731 -6.167 -30.063 1.00 37.15 N +ATOM 1855 H ARG A 138 -46.010 -7.611 -25.760 1.00 42.54 H +ATOM 1856 HA ARG A 138 -44.716 -9.535 -24.550 1.00 40.88 H +ATOM 1857 HB2 ARG A 138 -43.792 -7.460 -26.219 1.00 39.91 H +ATOM 1858 HB3 ARG A 138 -42.735 -8.379 -25.482 1.00 39.91 H +ATOM 1859 HG2 ARG A 138 -43.652 -10.269 -26.680 1.00 40.35 H +ATOM 1860 HG3 ARG A 138 -44.533 -9.248 -27.514 1.00 40.35 H +ATOM 1861 HD2 ARG A 138 -41.758 -9.496 -27.628 1.00 40.05 H +ATOM 1862 HD3 ARG A 138 -42.784 -9.819 -28.797 1.00 40.05 H +ATOM 1863 HE ARG A 138 -41.983 -7.335 -28.077 1.00 36.27 H +ATOM 1864 HH11 ARG A 138 -43.922 -9.029 -30.157 1.00 47.83 H +ATOM 1865 HH12 ARG A 138 -44.130 -7.921 -31.131 1.00 47.83 H +ATOM 1866 HH21 ARG A 138 -42.231 -5.659 -29.581 1.00 44.58 H +ATOM 1867 HH22 ARG A 138 -43.094 -5.858 -30.779 1.00 44.58 H +ATOM 1868 N SER A 139 -44.366 -6.638 -23.212 1.00 30.66 N +ATOM 1869 CA SER A 139 -43.959 -5.948 -21.994 1.00 33.08 C +ATOM 1870 C SER A 139 -44.709 -6.473 -20.783 1.00 42.81 C +ATOM 1871 O SER A 139 -44.114 -6.732 -19.719 1.00 29.89 O +ATOM 1872 CB SER A 139 -44.209 -4.450 -22.153 1.00 38.05 C +ATOM 1873 OG SER A 139 -43.445 -3.960 -23.269 1.00 35.52 O +ATOM 1874 H SER A 139 -44.748 -6.130 -23.792 1.00 36.79 H +ATOM 1875 HA SER A 139 -43.009 -6.085 -21.849 1.00 39.69 H +ATOM 1876 HB2 SER A 139 -45.153 -4.298 -22.318 1.00 45.66 H +ATOM 1877 HB3 SER A 139 -43.930 -3.990 -21.346 1.00 45.66 H +ATOM 1878 HG SER A 139 -43.575 -3.136 -23.367 1.00 42.62 H +ATOM 1879 N MET A 140 -46.043 -6.602 -20.908 1.00 36.17 N +ATOM 1880 CA MET A 140 -46.766 -7.206 -19.804 1.00 41.46 C +ATOM 1881 C MET A 140 -46.153 -8.556 -19.475 1.00 37.87 C +ATOM 1882 O MET A 140 -45.924 -8.874 -18.312 1.00 31.31 O +ATOM 1883 CB MET A 140 -48.237 -7.370 -20.146 1.00 38.18 C +ATOM 1884 CG MET A 140 -49.010 -7.772 -18.945 1.00 49.15 C +ATOM 1885 SD MET A 140 -50.491 -8.598 -19.424 1.00 63.49 S +ATOM 1886 CE MET A 140 -49.883 -10.110 -20.207 1.00 62.44 C +ATOM 1887 H MET A 140 -46.518 -6.361 -21.583 1.00 43.40 H +ATOM 1888 HA MET A 140 -46.699 -6.629 -19.027 1.00 49.75 H +ATOM 1889 HB2 MET A 140 -48.589 -6.527 -20.470 1.00 45.82 H +ATOM 1890 HB3 MET A 140 -48.336 -8.060 -20.820 1.00 45.82 H +ATOM 1891 HG2 MET A 140 -48.479 -8.379 -18.406 1.00 58.98 H +ATOM 1892 HG3 MET A 140 -49.248 -6.983 -18.434 1.00 58.98 H +ATOM 1893 HE1 MET A 140 -50.641 -10.636 -20.507 1.00 74.93 H +ATOM 1894 HE2 MET A 140 -49.326 -9.871 -20.964 1.00 74.93 H +ATOM 1895 HE3 MET A 140 -49.365 -10.614 -19.560 1.00 74.93 H +ATOM 1896 N LEU A 141 -45.866 -9.372 -20.493 1.00 36.35 N +ATOM 1897 CA LEU A 141 -45.231 -10.646 -20.185 1.00 38.33 C +ATOM 1898 C LEU A 141 -43.924 -10.412 -19.445 1.00 37.00 C +ATOM 1899 O LEU A 141 -43.572 -11.143 -18.504 1.00 36.77 O +ATOM 1900 CB LEU A 141 -44.995 -11.446 -21.458 1.00 35.11 C +ATOM 1901 CG LEU A 141 -46.274 -11.856 -22.209 1.00 40.01 C +ATOM 1902 CD1 LEU A 141 -45.914 -12.573 -23.465 1.00 44.07 C +ATOM 1903 CD2 LEU A 141 -47.129 -12.735 -21.331 1.00 39.95 C +ATOM 1904 H LEU A 141 -46.020 -9.219 -21.326 1.00 43.62 H +ATOM 1905 HA LEU A 141 -45.816 -11.162 -19.609 1.00 46.00 H +ATOM 1906 HB2 LEU A 141 -44.458 -10.912 -22.064 1.00 42.13 H +ATOM 1907 HB3 LEU A 141 -44.516 -12.258 -21.229 1.00 42.13 H +ATOM 1908 HG LEU A 141 -46.783 -11.063 -22.440 1.00 48.01 H +ATOM 1909 HD11 LEU A 141 -46.728 -12.826 -23.928 1.00 52.88 H +ATOM 1910 HD12 LEU A 141 -45.384 -11.983 -24.024 1.00 52.88 H +ATOM 1911 HD13 LEU A 141 -45.401 -13.365 -23.240 1.00 52.88 H +ATOM 1912 HD21 LEU A 141 -47.930 -12.983 -21.819 1.00 47.94 H +ATOM 1913 HD22 LEU A 141 -46.625 -13.529 -21.095 1.00 47.94 H +ATOM 1914 HD23 LEU A 141 -47.368 -12.243 -20.530 1.00 47.94 H +ATOM 1915 N LEU A 142 -43.218 -9.358 -19.822 1.00 36.83 N +ATOM 1916 CA LEU A 142 -41.896 -9.167 -19.262 1.00 33.63 C +ATOM 1917 C LEU A 142 -42.032 -8.833 -17.799 1.00 37.99 C +ATOM 1918 O LEU A 142 -41.330 -9.384 -16.937 1.00 36.18 O +ATOM 1919 CB LEU A 142 -41.157 -8.051 -20.013 1.00 30.70 C +ATOM 1920 CG LEU A 142 -39.912 -7.487 -19.318 1.00 31.32 C +ATOM 1921 CD1 LEU A 142 -38.852 -8.592 -19.343 1.00 34.48 C +ATOM 1922 CD2 LEU A 142 -39.379 -6.206 -20.064 1.00 31.47 C +ATOM 1923 H LEU A 142 -43.472 -8.758 -20.383 1.00 44.20 H +ATOM 1924 HA LEU A 142 -41.385 -9.987 -19.346 1.00 40.35 H +ATOM 1925 HB2 LEU A 142 -40.876 -8.396 -20.875 1.00 36.83 H +ATOM 1926 HB3 LEU A 142 -41.772 -7.313 -20.147 1.00 36.83 H +ATOM 1927 HG LEU A 142 -40.115 -7.261 -18.397 1.00 37.59 H +ATOM 1928 HD11 LEU A 142 -38.048 -8.267 -18.909 1.00 41.38 H +ATOM 1929 HD12 LEU A 142 -39.194 -9.367 -18.871 1.00 41.38 H +ATOM 1930 HD13 LEU A 142 -38.661 -8.824 -20.265 1.00 41.38 H +ATOM 1931 HD21 LEU A 142 -38.594 -5.875 -19.601 1.00 37.76 H +ATOM 1932 HD22 LEU A 142 -39.150 -6.444 -20.976 1.00 37.76 H +ATOM 1933 HD23 LEU A 142 -40.074 -5.529 -20.063 1.00 37.76 H +ATOM 1934 N LEU A 143 -42.875 -7.863 -17.508 1.00 34.59 N +ATOM 1935 CA LEU A 143 -43.043 -7.481 -16.125 1.00 31.83 C +ATOM 1936 C LEU A 143 -43.404 -8.696 -15.273 1.00 37.95 C +ATOM 1937 O LEU A 143 -42.846 -8.900 -14.191 1.00 38.75 O +ATOM 1938 CB LEU A 143 -44.123 -6.413 -16.006 1.00 38.23 C +ATOM 1939 CG LEU A 143 -43.927 -5.120 -16.790 1.00 42.25 C +ATOM 1940 CD1 LEU A 143 -44.900 -4.063 -16.311 1.00 43.43 C +ATOM 1941 CD2 LEU A 143 -42.596 -4.598 -16.664 1.00 41.98 C +ATOM 1942 H LEU A 143 -43.349 -7.421 -18.074 1.00 41.51 H +ATOM 1943 HA LEU A 143 -42.211 -7.111 -15.792 1.00 38.19 H +ATOM 1944 HB2 LEU A 143 -44.961 -6.801 -16.303 1.00 45.87 H +ATOM 1945 HB3 LEU A 143 -44.200 -6.168 -15.071 1.00 45.87 H +ATOM 1946 HG LEU A 143 -44.100 -5.287 -17.730 1.00 50.70 H +ATOM 1947 HD11 LEU A 143 -44.759 -3.251 -16.821 1.00 52.12 H +ATOM 1948 HD12 LEU A 143 -45.805 -4.385 -16.442 1.00 52.12 H +ATOM 1949 HD13 LEU A 143 -44.742 -3.894 -15.369 1.00 52.12 H +ATOM 1950 HD21 LEU A 143 -42.527 -3.780 -17.180 1.00 50.38 H +ATOM 1951 HD22 LEU A 143 -42.416 -4.416 -15.728 1.00 50.38 H +ATOM 1952 HD23 LEU A 143 -41.966 -5.255 -17.000 1.00 50.38 H +ATOM 1953 N ASN A 144 -44.339 -9.524 -15.742 1.00 37.52 N +ATOM 1954 CA ASN A 144 -44.732 -10.676 -14.933 1.00 37.77 C +ATOM 1955 C ASN A 144 -43.555 -11.595 -14.698 1.00 38.70 C +ATOM 1956 O ASN A 144 -43.379 -12.147 -13.606 1.00 41.98 O +ATOM 1957 CB ASN A 144 -45.859 -11.474 -15.614 1.00 40.84 C +ATOM 1958 CG ASN A 144 -47.150 -10.657 -15.807 1.00 43.60 C +ATOM 1959 OD1 ASN A 144 -47.362 -9.634 -15.152 1.00 46.64 O +ATOM 1960 ND2 ASN A 144 -48.009 -11.110 -16.735 1.00 52.07 N +ATOM 1961 H ASN A 144 -44.746 -9.445 -16.495 1.00 45.02 H +ATOM 1962 HA ASN A 144 -45.055 -10.367 -14.071 1.00 45.33 H +ATOM 1963 HB2 ASN A 144 -45.555 -11.763 -16.489 1.00 49.00 H +ATOM 1964 HB3 ASN A 144 -46.073 -12.246 -15.067 1.00 49.00 H +ATOM 1965 HD21 ASN A 144 -48.744 -10.689 -16.883 1.00 62.48 H +ATOM 1966 HD22 ASN A 144 -47.827 -11.826 -17.176 1.00 62.48 H +ATOM 1967 N LEU A 145 -42.745 -11.783 -15.723 1.00 38.45 N +ATOM 1968 CA LEU A 145 -41.628 -12.701 -15.630 1.00 39.20 C +ATOM 1969 C LEU A 145 -40.564 -12.182 -14.662 1.00 44.50 C +ATOM 1970 O LEU A 145 -39.952 -12.956 -13.904 1.00 44.50 O +ATOM 1971 CB LEU A 145 -41.089 -12.884 -17.040 1.00 41.30 C +ATOM 1972 CG LEU A 145 -39.710 -13.460 -17.259 1.00 48.10 C +ATOM 1973 CD1 LEU A 145 -39.494 -14.711 -16.432 1.00 59.55 C +ATOM 1974 CD2 LEU A 145 -39.543 -13.713 -18.741 1.00 55.51 C +ATOM 1975 H LEU A 145 -42.820 -11.390 -16.485 1.00 46.14 H +ATOM 1976 HA LEU A 145 -41.943 -13.560 -15.308 1.00 47.04 H +ATOM 1977 HB2 LEU A 145 -41.706 -13.464 -17.513 1.00 49.56 H +ATOM 1978 HB3 LEU A 145 -41.093 -12.013 -17.467 1.00 49.56 H +ATOM 1979 HG LEU A 145 -39.047 -12.805 -16.990 1.00 57.71 H +ATOM 1980 HD11 LEU A 145 -38.600 -15.049 -16.600 1.00 71.46 H +ATOM 1981 HD12 LEU A 145 -39.594 -14.490 -15.493 1.00 71.46 H +ATOM 1982 HD13 LEU A 145 -40.153 -15.375 -16.688 1.00 71.46 H +ATOM 1983 HD21 LEU A 145 -38.661 -14.083 -18.901 1.00 66.61 H +ATOM 1984 HD22 LEU A 145 -40.224 -14.340 -19.032 1.00 66.61 H +ATOM 1985 HD23 LEU A 145 -39.641 -12.873 -19.217 1.00 66.61 H +ATOM 1986 N ILE A 146 -40.350 -10.872 -14.642 1.00 42.43 N +ATOM 1987 CA ILE A 146 -39.368 -10.311 -13.721 1.00 40.77 C +ATOM 1988 C ILE A 146 -39.852 -10.464 -12.285 1.00 47.43 C +ATOM 1989 O ILE A 146 -39.104 -10.857 -11.387 1.00 40.50 O +ATOM 1990 CB ILE A 146 -39.087 -8.837 -14.068 1.00 40.20 C +ATOM 1991 CG1 ILE A 146 -38.155 -8.756 -15.291 1.00 46.60 C +ATOM 1992 CG2 ILE A 146 -38.425 -8.072 -12.855 1.00 42.92 C +ATOM 1993 CD1 ILE A 146 -38.352 -7.458 -16.084 1.00 38.24 C +ATOM 1994 H ILE A 146 -40.750 -10.297 -15.141 1.00 50.92 H +ATOM 1995 HA ILE A 146 -38.536 -10.802 -13.809 1.00 48.92 H +ATOM 1996 HB ILE A 146 -39.927 -8.404 -14.287 1.00 48.24 H +ATOM 1997 HG12 ILE A 146 -37.234 -8.790 -14.991 1.00 55.92 H +ATOM 1998 HG13 ILE A 146 -38.342 -9.502 -15.882 1.00 55.92 H +ATOM 1999 HG21 ILE A 146 -38.265 -7.151 -13.113 1.00 51.51 H +ATOM 2000 HG22 ILE A 146 -39.028 -8.104 -12.096 1.00 51.51 H +ATOM 2001 HG23 ILE A 146 -37.586 -8.504 -12.631 1.00 51.51 H +ATOM 2002 HD11 ILE A 146 -37.745 -7.456 -16.841 1.00 45.89 H +ATOM 2003 HD12 ILE A 146 -39.269 -7.414 -16.395 1.00 45.89 H +ATOM 2004 HD13 ILE A 146 -38.162 -6.703 -15.505 1.00 45.89 H +ATOM 2005 N ASN A 147 -41.122 -10.147 -12.051 1.00 49.87 N +ATOM 2006 CA ASN A 147 -41.729 -10.364 -10.754 1.00 48.03 C +ATOM 2007 C ASN A 147 -41.538 -11.802 -10.279 1.00 52.37 C +ATOM 2008 O ASN A 147 -40.996 -12.059 -9.195 1.00 54.63 O +ATOM 2009 CB ASN A 147 -43.189 -10.001 -10.880 1.00 50.64 C +ATOM 2010 CG ASN A 147 -43.775 -9.634 -9.595 1.00 59.96 C +ATOM 2011 OD1 ASN A 147 -44.592 -10.378 -9.046 1.00 62.97 O +ATOM 2012 ND2 ASN A 147 -43.372 -8.469 -9.075 1.00 62.25 N +ATOM 2013 H ASN A 147 -41.653 -9.803 -12.634 1.00 59.85 H +ATOM 2014 HA ASN A 147 -41.320 -9.771 -10.104 1.00 57.64 H +ATOM 2015 HB2 ASN A 147 -43.278 -9.245 -11.480 1.00 60.77 H +ATOM 2016 HB3 ASN A 147 -43.677 -10.764 -11.228 1.00 60.77 H +ATOM 2017 HD21 ASN A 147 -43.686 -8.204 -8.320 1.00 74.70 H +ATOM 2018 HD22 ASN A 147 -42.800 -7.986 -9.497 1.00 74.70 H +ATOM 2019 N LYS A 148 -41.978 -12.757 -11.090 1.00 43.00 N +ATOM 2020 CA LYS A 148 -41.848 -14.166 -10.738 1.00 47.73 C +ATOM 2021 C LYS A 148 -40.403 -14.551 -10.453 1.00 57.04 C +ATOM 2022 O LYS A 148 -40.123 -15.238 -9.467 1.00 53.79 O +ATOM 2023 CB LYS A 148 -42.442 -15.017 -11.857 1.00 51.67 C +ATOM 2024 CG LYS A 148 -42.029 -16.475 -11.905 1.00 62.80 C +ATOM 2025 CD LYS A 148 -42.888 -17.228 -12.995 1.00 74.44 C +ATOM 2026 CE LYS A 148 -42.180 -18.462 -13.572 1.00 67.11 C +ATOM 2027 NZ LYS A 148 -43.061 -19.291 -14.445 1.00 81.59 N +ATOM 2028 H LYS A 148 -42.356 -12.616 -11.849 1.00 51.60 H +ATOM 2029 HA LYS A 148 -42.362 -14.335 -9.933 1.00 57.28 H +ATOM 2030 HB2 LYS A 148 -43.408 -14.996 -11.771 1.00 62.01 H +ATOM 2031 HB3 LYS A 148 -42.188 -14.620 -12.705 1.00 62.01 H +ATOM 2032 HG2 LYS A 148 -41.092 -16.542 -12.147 1.00 75.36 H +ATOM 2033 HG3 LYS A 148 -42.190 -16.889 -11.042 1.00 75.36 H +ATOM 2034 HD2 LYS A 148 -43.720 -17.522 -12.593 1.00 89.32 H +ATOM 2035 HD3 LYS A 148 -43.070 -16.619 -13.728 1.00 89.32 H +ATOM 2036 HE2 LYS A 148 -41.422 -18.171 -14.103 1.00 80.54 H +ATOM 2037 HE3 LYS A 148 -41.875 -19.021 -12.840 1.00 80.54 H +ATOM 2038 HZ1 LYS A 148 -42.610 -19.992 -14.755 1.00 97.90 H +ATOM 2039 HZ2 LYS A 148 -43.763 -19.581 -13.981 1.00 97.90 H +ATOM 2040 HZ3 LYS A 148 -43.350 -18.806 -15.133 1.00 97.90 H +ATOM 2041 N GLU A 149 -39.464 -14.127 -11.310 1.00 57.65 N +ATOM 2042 CA GLU A 149 -38.076 -14.547 -11.141 1.00 55.19 C +ATOM 2043 C GLU A 149 -37.453 -13.946 -9.888 1.00 58.65 C +ATOM 2044 O GLU A 149 -36.621 -14.590 -9.251 1.00 57.87 O +ATOM 2045 CB GLU A 149 -37.259 -14.168 -12.367 1.00 59.85 C +ATOM 2046 CG GLU A 149 -37.485 -15.094 -13.555 1.00 70.31 C +ATOM 2047 CD GLU A 149 -36.981 -16.492 -13.296 1.00 82.96 C +ATOM 2048 OE1 GLU A 149 -35.885 -16.618 -12.710 1.00 92.73 O +ATOM 2049 OE2 GLU A 149 -37.689 -17.458 -13.659 1.00 84.55 O +ATOM 2050 H GLU A 149 -39.605 -13.607 -11.980 1.00 69.18 H +ATOM 2051 HA GLU A 149 -38.049 -15.513 -11.052 1.00 66.22 H +ATOM 2052 HB2 GLU A 149 -37.501 -13.269 -12.639 1.00 71.82 H +ATOM 2053 HB3 GLU A 149 -36.316 -14.201 -12.139 1.00 71.82 H +ATOM 2054 HG2 GLU A 149 -38.436 -15.146 -13.740 1.00 84.37 H +ATOM 2055 HG3 GLU A 149 -37.014 -14.742 -14.326 1.00 84.37 H +ATOM 2056 N ILE A 150 -37.836 -12.724 -9.523 1.00 48.61 N +ATOM 2057 CA ILE A 150 -37.330 -12.114 -8.304 1.00 57.74 C +ATOM 2058 C ILE A 150 -37.887 -12.837 -7.081 1.00 64.21 C +ATOM 2059 O ILE A 150 -37.142 -13.241 -6.182 1.00 66.55 O +ATOM 2060 CB ILE A 150 -37.672 -10.616 -8.276 1.00 53.93 C +ATOM 2061 CG1 ILE A 150 -36.928 -9.884 -9.387 1.00 48.01 C +ATOM 2062 CG2 ILE A 150 -37.274 -9.993 -6.892 1.00 59.68 C +ATOM 2063 CD1 ILE A 150 -37.246 -8.389 -9.498 1.00 47.11 C +ATOM 2064 H ILE A 150 -38.385 -12.231 -9.965 1.00 58.33 H +ATOM 2065 HA ILE A 150 -36.364 -12.200 -8.287 1.00 69.29 H +ATOM 2066 HB ILE A 150 -38.626 -10.507 -8.409 1.00 64.72 H +ATOM 2067 HG12 ILE A 150 -35.975 -9.970 -9.230 1.00 57.61 H +ATOM 2068 HG13 ILE A 150 -37.157 -10.296 -10.235 1.00 57.61 H +ATOM 2069 HG21 ILE A 150 -37.498 -9.049 -6.896 1.00 71.61 H +ATOM 2070 HG22 ILE A 150 -37.765 -10.448 -6.190 1.00 71.61 H +ATOM 2071 HG23 ILE A 150 -36.321 -10.107 -6.758 1.00 71.61 H +ATOM 2072 HD11 ILE A 150 -36.730 -8.010 -10.227 1.00 56.53 H +ATOM 2073 HD12 ILE A 150 -38.194 -8.280 -9.671 1.00 56.53 H +ATOM 2074 HD13 ILE A 150 -37.009 -7.954 -8.664 1.00 56.53 H +ATOM 2075 N LYS A 151 -39.206 -13.007 -7.027 1.00 63.46 N +ATOM 2076 CA LYS A 151 -39.797 -13.797 -5.954 1.00 69.43 C +ATOM 2077 C LYS A 151 -39.073 -15.130 -5.798 1.00 70.64 C +ATOM 2078 O LYS A 151 -38.756 -15.545 -4.676 1.00 78.65 O +ATOM 2079 CB LYS A 151 -41.281 -14.006 -6.228 1.00 56.55 C +ATOM 2080 CG LYS A 151 -42.093 -12.719 -6.137 1.00 65.66 C +ATOM 2081 CD LYS A 151 -43.596 -12.991 -5.937 1.00 62.77 C +ATOM 2082 CE LYS A 151 -44.459 -11.721 -6.067 1.00 62.05 C +ATOM 2083 NZ LYS A 151 -44.323 -10.754 -4.922 1.00 70.10 N +ATOM 2084 H LYS A 151 -39.770 -12.681 -7.589 1.00 76.15 H +ATOM 2085 HA LYS A 151 -39.712 -13.310 -5.120 1.00 83.31 H +ATOM 2086 HB2 LYS A 151 -41.388 -14.365 -7.123 1.00 67.86 H +ATOM 2087 HB3 LYS A 151 -41.636 -14.630 -5.577 1.00 67.86 H +ATOM 2088 HG2 LYS A 151 -41.778 -12.197 -5.383 1.00 78.79 H +ATOM 2089 HG3 LYS A 151 -41.984 -12.216 -6.960 1.00 78.79 H +ATOM 2090 HD2 LYS A 151 -43.893 -13.625 -6.608 1.00 75.33 H +ATOM 2091 HD3 LYS A 151 -43.734 -13.358 -5.050 1.00 75.33 H +ATOM 2092 HE2 LYS A 151 -44.203 -11.255 -6.878 1.00 74.46 H +ATOM 2093 HE3 LYS A 151 -45.391 -11.984 -6.121 1.00 74.46 H +ATOM 2094 HZ1 LYS A 151 -44.845 -10.046 -5.059 1.00 84.12 H +ATOM 2095 HZ2 LYS A 151 -44.564 -11.148 -4.161 1.00 84.12 H +ATOM 2096 HZ3 LYS A 151 -43.479 -10.481 -4.852 1.00 84.12 H +ATOM 2097 N HIS A 152 -38.753 -15.789 -6.914 1.00 69.40 N +ATOM 2098 CA HIS A 152 -38.079 -17.079 -6.848 1.00 75.50 C +ATOM 2099 C HIS A 152 -36.695 -17.000 -6.203 1.00 78.30 C +ATOM 2100 O HIS A 152 -36.204 -18.019 -5.708 1.00 86.49 O +ATOM 2101 CB HIS A 152 -37.954 -17.685 -8.242 1.00 91.46 C +ATOM 2102 CG HIS A 152 -37.613 -19.144 -8.234 1.00128.72 C +ATOM 2103 ND1 HIS A 152 -36.366 -19.617 -7.880 1.00135.95 N +ATOM 2104 CD2 HIS A 152 -38.359 -20.236 -8.527 1.00137.72 C +ATOM 2105 CE1 HIS A 152 -36.359 -20.936 -7.960 1.00122.53 C +ATOM 2106 NE2 HIS A 152 -37.556 -21.337 -8.352 1.00131.85 N +ATOM 2107 H HIS A 152 -38.915 -15.511 -7.712 1.00 83.28 H +ATOM 2108 HA HIS A 152 -38.618 -17.682 -6.312 1.00 90.60 H +ATOM 2109 HB2 HIS A 152 -38.800 -17.581 -8.706 1.00109.75 H +ATOM 2110 HB3 HIS A 152 -37.254 -17.219 -8.725 1.00109.75 H +ATOM 2111 HD1 HIS A 152 -35.697 -19.129 -7.646 1.00163.14 H +ATOM 2112 HD2 HIS A 152 -39.249 -20.239 -8.800 1.00165.27 H +ATOM 2113 HE1 HIS A 152 -35.634 -21.488 -7.774 1.00147.04 H +ATOM 2114 N SER A 153 -36.047 -15.837 -6.201 1.00 76.90 N +ATOM 2115 CA SER A 153 -34.734 -15.702 -5.573 1.00 79.28 C +ATOM 2116 C SER A 153 -34.822 -15.393 -4.079 1.00 78.15 C +ATOM 2117 O SER A 153 -33.787 -15.262 -3.426 1.00 78.97 O +ATOM 2118 CB SER A 153 -33.914 -14.614 -6.291 1.00 73.93 C +ATOM 2119 OG SER A 153 -34.267 -13.307 -5.860 1.00 72.39 O +ATOM 2120 H SER A 153 -36.345 -15.112 -6.556 1.00 92.28 H +ATOM 2121 HA SER A 153 -34.257 -16.541 -5.670 1.00 95.14 H +ATOM 2122 HB2 SER A 153 -32.973 -14.760 -6.105 1.00 88.72 H +ATOM 2123 HB3 SER A 153 -34.074 -14.682 -7.245 1.00 88.72 H +ATOM 2124 HG SER A 153 -35.079 -13.162 -6.016 1.00 86.87 H +ATOM 2125 N VAL A 154 -36.027 -15.290 -3.532 1.00 86.70 N +ATOM 2126 CA VAL A 154 -36.250 -14.983 -2.126 1.00 92.98 C +ATOM 2127 C VAL A 154 -36.264 -16.281 -1.323 1.00101.06 C +ATOM 2128 O VAL A 154 -36.480 -17.371 -1.863 1.00 97.56 O +ATOM 2129 CB VAL A 154 -37.574 -14.195 -1.960 1.00 97.66 C +ATOM 2130 CG1 VAL A 154 -37.991 -14.060 -0.503 1.00110.13 C +ATOM 2131 CG2 VAL A 154 -37.460 -12.819 -2.606 1.00 81.81 C +ATOM 2132 H VAL A 154 -36.757 -15.399 -3.973 1.00104.04 H +ATOM 2133 HA VAL A 154 -35.524 -14.430 -1.799 1.00111.58 H +ATOM 2134 HB VAL A 154 -38.279 -14.676 -2.421 1.00117.19 H +ATOM 2135 HG11 VAL A 154 -38.821 -13.560 -0.457 1.00132.15 H +ATOM 2136 HG12 VAL A 154 -38.116 -14.945 -0.127 1.00132.15 H +ATOM 2137 HG13 VAL A 154 -37.295 -13.589 -0.018 1.00132.15 H +ATOM 2138 HG21 VAL A 154 -38.299 -12.346 -2.490 1.00 98.17 H +ATOM 2139 HG22 VAL A 154 -36.741 -12.329 -2.178 1.00 98.17 H +ATOM 2140 HG23 VAL A 154 -37.270 -12.929 -3.551 1.00 98.17 H +ATOM 2141 N LYS A 155 -36.018 -16.163 -0.017 1.00111.97 N +ATOM 2142 CA LYS A 155 -36.004 -17.318 0.884 1.00111.27 C +ATOM 2143 C LYS A 155 -37.295 -17.412 1.694 1.00126.73 C +ATOM 2144 O LYS A 155 -37.278 -17.764 2.876 1.00156.38 O +ATOM 2145 CB LYS A 155 -34.802 -17.252 1.833 1.00109.57 C +ATOM 2146 CG LYS A 155 -34.831 -16.099 2.838 1.00105.64 C +ATOM 2147 CD LYS A 155 -33.788 -16.300 3.932 1.00 99.38 C +ATOM 2148 CE LYS A 155 -34.072 -15.454 5.162 1.00101.51 C +ATOM 2149 NZ LYS A 155 -35.288 -15.908 5.894 1.00106.83 N +ATOM 2150 H LYS A 155 -35.855 -15.416 0.377 1.00134.37 H +ATOM 2151 HA LYS A 155 -35.923 -18.128 0.355 1.00133.52 H +ATOM 2152 HB2 LYS A 155 -34.763 -18.079 2.338 1.00131.48 H +ATOM 2153 HB3 LYS A 155 -33.996 -17.157 1.302 1.00131.48 H +ATOM 2154 HG2 LYS A 155 -34.637 -15.267 2.379 1.00126.77 H +ATOM 2155 HG3 LYS A 155 -35.706 -16.058 3.255 1.00126.77 H +ATOM 2156 HD2 LYS A 155 -33.785 -17.232 4.201 1.00119.25 H +ATOM 2157 HD3 LYS A 155 -32.916 -16.050 3.588 1.00119.25 H +ATOM 2158 HE2 LYS A 155 -33.317 -15.511 5.768 1.00121.81 H +ATOM 2159 HE3 LYS A 155 -34.211 -14.534 4.888 1.00121.81 H +ATOM 2160 HZ1 LYS A 155 -35.424 -15.392 6.606 1.00128.19 H +ATOM 2161 HZ2 LYS A 155 -35.999 -15.859 5.361 1.00128.19 H +ATOM 2162 HZ3 LYS A 155 -35.184 -16.750 6.162 1.00128.19 H +TER 2163 LYS A 155 +END diff --git a/bench/main_benchmark/structures/SFB_FS_RFAH_5ONDA_6C6SD/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_RFAH_5ONDA_6C6SD/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..025630b398f32a97aadda2b76e0d564c1eb5275a --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_RFAH_5ONDA_6C6SD/state_b.pdb @@ -0,0 +1,1288 @@ +ATOM 1 N GLN D 2 191.866 201.701 122.583 1.00 69.01 N +ATOM 2 CA GLN D 2 190.842 202.013 123.571 1.00 69.01 C +ATOM 3 C GLN D 2 189.443 201.709 123.078 1.00 69.01 C +ATOM 4 O GLN D 2 189.229 201.467 121.893 1.00 69.01 O +ATOM 5 CB GLN D 2 190.899 203.482 123.975 1.00 69.01 C +ATOM 6 CG GLN D 2 192.055 203.861 124.854 1.00 69.01 C +ATOM 7 CD GLN D 2 192.008 205.321 125.236 1.00 69.01 C +ATOM 8 OE1 GLN D 2 191.170 206.075 124.744 1.00 69.01 O +ATOM 9 NE2 GLN D 2 192.889 205.724 126.136 1.00 69.01 N +ATOM 10 N SER D 3 188.496 201.741 124.010 1.00 69.61 N +ATOM 11 CA SER D 3 187.082 201.626 123.695 1.00 69.61 C +ATOM 12 C SER D 3 186.284 202.204 124.855 1.00 69.61 C +ATOM 13 O SER D 3 186.840 202.672 125.853 1.00 69.61 O +ATOM 14 CB SER D 3 186.675 200.178 123.420 1.00 69.61 C +ATOM 15 OG SER D 3 185.309 200.115 123.068 1.00 69.61 O +ATOM 16 N TRP D 4 184.966 202.171 124.702 1.00 70.13 N +ATOM 17 CA TRP D 4 184.040 202.741 125.668 1.00 70.13 C +ATOM 18 C TRP D 4 183.257 201.639 126.361 1.00 70.13 C +ATOM 19 O TRP D 4 182.752 200.721 125.715 1.00 70.13 O +ATOM 20 CB TRP D 4 183.075 203.701 124.981 1.00 70.13 C +ATOM 21 CG TRP D 4 183.701 204.963 124.552 1.00 70.13 C +ATOM 22 CD1 TRP D 4 184.275 205.221 123.347 1.00 70.13 C +ATOM 23 CD2 TRP D 4 183.794 206.169 125.308 1.00 70.13 C +ATOM 24 NE1 TRP D 4 184.744 206.508 123.313 1.00 70.13 N +ATOM 25 CE2 TRP D 4 184.459 207.111 124.509 1.00 70.13 C +ATOM 26 CE3 TRP D 4 183.385 206.541 126.585 1.00 70.13 C +ATOM 27 CZ2 TRP D 4 184.715 208.403 124.944 1.00 70.13 C +ATOM 28 CZ3 TRP D 4 183.652 207.816 127.022 1.00 70.13 C +ATOM 29 CH2 TRP D 4 184.314 208.733 126.207 1.00 70.13 C +ATOM 30 N TYR D 5 183.148 201.749 127.677 1.00 67.06 N +ATOM 31 CA TYR D 5 182.386 200.823 128.491 1.00 67.06 C +ATOM 32 C TYR D 5 181.378 201.592 129.329 1.00 67.06 C +ATOM 33 O TYR D 5 181.467 202.811 129.493 1.00 67.06 O +ATOM 34 CB TYR D 5 183.297 200.012 129.405 1.00 67.06 C +ATOM 35 CG TYR D 5 184.236 199.111 128.671 1.00 67.06 C +ATOM 36 CD1 TYR D 5 183.818 197.880 128.207 1.00 67.06 C +ATOM 37 CD2 TYR D 5 185.540 199.493 128.437 1.00 67.06 C +ATOM 38 CE1 TYR D 5 184.676 197.051 127.542 1.00 67.06 C +ATOM 39 CE2 TYR D 5 186.407 198.673 127.770 1.00 67.06 C +ATOM 40 CZ TYR D 5 185.968 197.455 127.320 1.00 67.06 C +ATOM 41 OH TYR D 5 186.831 196.632 126.649 1.00 67.06 O +ATOM 42 N LEU D 6 180.429 200.853 129.888 1.00 63.61 N +ATOM 43 CA LEU D 6 179.368 201.423 130.697 1.00 63.61 C +ATOM 44 C LEU D 6 179.498 200.860 132.099 1.00 63.61 C +ATOM 45 O LEU D 6 179.640 199.647 132.266 1.00 63.61 O +ATOM 46 CB LEU D 6 178.002 201.072 130.120 1.00 63.61 C +ATOM 47 CG LEU D 6 176.798 201.971 130.404 1.00 63.61 C +ATOM 48 CD1 LEU D 6 175.704 201.696 129.391 1.00 63.61 C +ATOM 49 CD2 LEU D 6 176.242 201.943 131.801 1.00 63.61 C +ATOM 50 N LEU D 7 179.426 201.726 133.100 1.00 65.26 N +ATOM 51 CA LEU D 7 179.502 201.321 134.495 1.00 65.26 C +ATOM 52 C LEU D 7 178.239 201.746 135.214 1.00 65.26 C +ATOM 53 O LEU D 7 177.882 202.926 135.191 1.00 65.26 O +ATOM 54 CB LEU D 7 180.704 201.939 135.192 1.00 65.26 C +ATOM 55 CG LEU D 7 182.067 201.426 134.808 1.00 65.26 C +ATOM 56 CD1 LEU D 7 183.087 202.253 135.518 1.00 65.26 C +ATOM 57 CD2 LEU D 7 182.156 199.993 135.234 1.00 65.26 C +ATOM 58 N TYR D 8 177.572 200.800 135.855 1.00 73.50 N +ATOM 59 CA TYR D 8 176.566 201.147 136.838 1.00 73.50 C +ATOM 60 C TYR D 8 177.275 201.305 138.167 1.00 73.50 C +ATOM 61 O TYR D 8 178.117 200.476 138.524 1.00 73.50 O +ATOM 62 CB TYR D 8 175.503 200.060 136.916 1.00 73.50 C +ATOM 63 CG TYR D 8 174.361 200.341 137.859 1.00 73.50 C +ATOM 64 CD1 TYR D 8 173.376 201.245 137.524 1.00 73.50 C +ATOM 65 CD2 TYR D 8 174.255 199.685 139.070 1.00 73.50 C +ATOM 66 CE1 TYR D 8 172.323 201.498 138.358 1.00 73.50 C +ATOM 67 CE2 TYR D 8 173.202 199.929 139.919 1.00 73.50 C +ATOM 68 CZ TYR D 8 172.240 200.840 139.554 1.00 73.50 C +ATOM 69 OH TYR D 8 171.181 201.105 140.389 1.00 73.50 O +ATOM 70 N CYS D 9 176.972 202.379 138.880 1.00 79.34 N +ATOM 71 CA CYS D 9 177.643 202.695 140.131 1.00 79.34 C +ATOM 72 C CYS D 9 176.696 202.487 141.303 1.00 79.34 C +ATOM 73 O CYS D 9 175.535 202.106 141.141 1.00 79.34 O +ATOM 74 CB CYS D 9 178.171 204.124 140.109 1.00 79.34 C +ATOM 75 SG CYS D 9 179.479 204.359 138.915 1.00 79.34 S +ATOM 76 N LYS D 10 177.211 202.735 142.500 1.00 94.38 N +ATOM 77 CA LYS D 10 176.379 202.706 143.685 1.00 94.38 C +ATOM 78 C LYS D 10 175.439 203.907 143.671 1.00 94.38 C +ATOM 79 O LYS D 10 175.655 204.876 142.940 1.00 94.38 O +ATOM 80 CB LYS D 10 177.255 202.714 144.933 1.00 94.38 C +ATOM 81 CG LYS D 10 178.155 201.494 145.034 1.00 94.38 C +ATOM 82 CD LYS D 10 179.101 201.586 146.216 1.00 94.38 C +ATOM 83 CE LYS D 10 178.378 201.355 147.524 1.00 94.38 C +ATOM 84 NZ LYS D 10 177.960 199.934 147.657 1.00 94.38 N +ATOM 85 N ARG D 11 174.373 203.839 144.469 1.00112.67 N +ATOM 86 CA ARG D 11 173.421 204.943 144.485 1.00112.67 C +ATOM 87 C ARG D 11 174.019 206.136 145.208 1.00112.67 C +ATOM 88 O ARG D 11 174.405 206.040 146.376 1.00112.67 O +ATOM 89 CB ARG D 11 172.095 204.556 145.132 1.00112.67 C +ATOM 90 CG ARG D 11 171.086 205.713 145.071 1.00112.67 C +ATOM 91 CD ARG D 11 169.712 205.375 145.626 1.00112.67 C +ATOM 92 NE ARG D 11 168.998 204.404 144.800 1.00112.67 N +ATOM 93 CZ ARG D 11 168.274 204.719 143.730 1.00112.67 C +ATOM 94 NH1 ARG D 11 168.164 205.982 143.348 1.00112.67 N +ATOM 95 NH2 ARG D 11 167.655 203.772 143.041 1.00112.67 N +ATOM 96 N GLY D 12 174.092 207.257 144.502 1.00125.55 N +ATOM 97 CA GLY D 12 174.607 208.469 145.089 1.00125.55 C +ATOM 98 C GLY D 12 176.092 208.452 145.338 1.00125.55 C +ATOM 99 O GLY D 12 176.549 209.052 146.307 1.00125.55 O +ATOM 100 N GLN D 13 176.867 207.762 144.508 1.00113.47 N +ATOM 101 CA GLN D 13 178.316 207.850 144.623 1.00113.47 C +ATOM 102 C GLN D 13 178.977 208.061 143.274 1.00113.47 C +ATOM 103 O GLN D 13 180.151 207.713 143.109 1.00113.47 O +ATOM 104 CB GLN D 13 178.911 206.616 145.297 1.00113.47 C +ATOM 105 CG GLN D 13 178.606 206.507 146.760 1.00113.47 C +ATOM 106 CD GLN D 13 179.357 205.384 147.412 1.00113.47 C +ATOM 107 OE1 GLN D 13 180.095 204.658 146.754 1.00113.47 O +ATOM 108 NE2 GLN D 13 179.186 205.236 148.719 1.00113.47 N +ATOM 109 N LEU D 14 178.242 208.628 142.314 1.00 97.48 N +ATOM 110 CA LEU D 14 178.816 208.906 141.005 1.00 97.48 C +ATOM 111 C LEU D 14 179.920 209.942 141.112 1.00 97.48 C +ATOM 112 O LEU D 14 180.929 209.846 140.413 1.00 97.48 O +ATOM 113 CB LEU D 14 177.724 209.377 140.050 1.00 97.48 C +ATOM 114 CG LEU D 14 177.965 209.333 138.540 1.00 97.48 C +ATOM 115 CD1 LEU D 14 176.635 209.143 137.846 1.00 97.48 C +ATOM 116 CD2 LEU D 14 178.640 210.565 137.983 1.00 97.48 C +ATOM 117 N GLN D 15 179.765 210.912 142.017 1.00 99.25 N +ATOM 118 CA GLN D 15 180.806 211.913 142.228 1.00 99.25 C +ATOM 119 C GLN D 15 182.061 211.298 142.826 1.00 99.25 C +ATOM 120 O GLN D 15 183.176 211.631 142.411 1.00 99.25 O +ATOM 121 CB GLN D 15 180.292 213.027 143.135 1.00 99.25 C +ATOM 122 CG GLN D 15 179.114 213.777 142.572 1.00 99.25 C +ATOM 123 CD GLN D 15 179.461 214.506 141.303 1.00 99.25 C +ATOM 124 OE1 GLN D 15 180.552 215.056 141.171 1.00 99.25 O +ATOM 125 NE2 GLN D 15 178.536 214.511 140.354 1.00 99.25 N +ATOM 126 N ARG D 16 181.903 210.384 143.786 1.00 98.99 N +ATOM 127 CA ARG D 16 183.073 209.802 144.432 1.00 98.99 C +ATOM 128 C ARG D 16 183.798 208.854 143.488 1.00 98.99 C +ATOM 129 O ARG D 16 185.029 208.909 143.370 1.00 98.99 O +ATOM 130 CB ARG D 16 182.658 209.104 145.730 1.00 98.99 C +ATOM 131 CG ARG D 16 183.824 208.670 146.606 1.00 98.99 C +ATOM 132 CD ARG D 16 183.372 208.263 148.011 1.00 98.99 C +ATOM 133 NE ARG D 16 182.610 207.019 148.068 1.00 98.99 N +ATOM 134 CZ ARG D 16 183.159 205.819 148.221 1.00 98.99 C +ATOM 135 NH1 ARG D 16 184.471 205.700 148.341 1.00 98.99 N +ATOM 136 NH2 ARG D 16 182.397 204.740 148.267 1.00 98.99 N +ATOM 137 N ALA D 17 183.045 208.024 142.761 1.00 97.13 N +ATOM 138 CA ALA D 17 183.644 207.167 141.744 1.00 97.13 C +ATOM 139 C ALA D 17 184.256 207.978 140.615 1.00 97.13 C +ATOM 140 O ALA D 17 185.281 207.582 140.050 1.00 97.13 O +ATOM 141 CB ALA D 17 182.600 206.211 141.182 1.00 97.13 C +ATOM 142 N GLN D 18 183.664 209.129 140.310 1.00 93.05 N +ATOM 143 CA GLN D 18 184.194 210.002 139.282 1.00 93.05 C +ATOM 144 C GLN D 18 185.508 210.614 139.732 1.00 93.05 C +ATOM 145 O GLN D 18 186.445 210.719 138.942 1.00 93.05 O +ATOM 146 CB GLN D 18 183.150 211.067 138.979 1.00 93.05 C +ATOM 147 CG GLN D 18 183.312 211.817 137.696 1.00 93.05 C +ATOM 148 CD GLN D 18 182.141 212.752 137.465 1.00 93.05 C +ATOM 149 OE1 GLN D 18 181.295 212.927 138.340 1.00 93.05 O +ATOM 150 NE2 GLN D 18 182.066 213.328 136.274 1.00 93.05 N +ATOM 151 N GLU D 19 185.611 210.964 141.016 1.00 96.47 N +ATOM 152 CA GLU D 19 186.860 211.493 141.558 1.00 96.47 C +ATOM 153 C GLU D 19 187.958 210.437 141.558 1.00 96.47 C +ATOM 154 O GLU D 19 189.118 210.736 141.243 1.00 96.47 O +ATOM 155 CB GLU D 19 186.630 212.017 142.972 1.00 96.47 C +ATOM 156 CG GLU D 19 187.849 212.653 143.613 1.00 96.47 C +ATOM 157 CD GLU D 19 187.580 213.131 145.032 1.00 96.47 C +ATOM 158 OE1 GLU D 19 186.441 212.954 145.516 1.00 96.47 O +ATOM 159 OE2 GLU D 19 188.510 213.678 145.664 1.00 96.47 O +ATOM 160 N HIS D 20 187.608 209.191 141.884 1.00 91.69 N +ATOM 161 CA HIS D 20 188.604 208.122 141.834 1.00 91.69 C +ATOM 162 C HIS D 20 189.044 207.824 140.406 1.00 91.69 C +ATOM 163 O HIS D 20 190.234 207.607 140.152 1.00 91.69 O +ATOM 164 CB HIS D 20 188.075 206.863 142.506 1.00 91.69 C +ATOM 165 CG HIS D 20 188.055 206.944 143.998 1.00 91.69 C +ATOM 166 ND1 HIS D 20 189.178 206.727 144.765 1.00 91.69 N +ATOM 167 CD2 HIS D 20 187.060 207.243 144.865 1.00 91.69 C +ATOM 168 CE1 HIS D 20 188.869 206.867 146.041 1.00 91.69 C +ATOM 169 NE2 HIS D 20 187.592 207.187 146.129 1.00 91.69 N +ATOM 170 N LEU D 21 188.118 207.840 139.454 1.00 90.10 N +ATOM 171 CA LEU D 21 188.513 207.583 138.078 1.00 90.10 C +ATOM 172 C LEU D 21 189.180 208.780 137.421 1.00 90.10 C +ATOM 173 O LEU D 21 189.820 208.618 136.378 1.00 90.10 O +ATOM 174 CB LEU D 21 187.308 207.138 137.261 1.00 90.10 C +ATOM 175 CG LEU D 21 186.808 205.745 137.620 1.00 90.10 C +ATOM 176 CD1 LEU D 21 185.546 205.437 136.855 1.00 90.10 C +ATOM 177 CD2 LEU D 21 187.888 204.741 137.294 1.00 90.10 C +ATOM 178 N GLU D 22 189.035 209.972 137.989 1.00 91.07 N +ATOM 179 CA GLU D 22 189.841 211.098 137.542 1.00 91.07 C +ATOM 180 C GLU D 22 191.238 211.058 138.142 1.00 91.07 C +ATOM 181 O GLU D 22 192.191 211.515 137.504 1.00 91.07 O +ATOM 182 CB GLU D 22 189.141 212.414 137.884 1.00 91.07 C +ATOM 183 CG GLU D 22 187.943 212.735 136.992 1.00 91.07 C +ATOM 184 CD GLU D 22 187.108 213.893 137.517 1.00 91.07 C +ATOM 185 OE1 GLU D 22 187.391 214.377 138.634 1.00 91.07 O +ATOM 186 OE2 GLU D 22 186.154 214.304 136.821 1.00 91.07 O +ATOM 187 N ARG D 23 191.384 210.524 139.361 1.00 95.01 N +ATOM 188 CA ARG D 23 192.726 210.251 139.871 1.00 95.01 C +ATOM 189 C ARG D 23 193.402 209.134 139.100 1.00 95.01 C +ATOM 190 O ARG D 23 194.631 209.109 139.000 1.00 95.01 O +ATOM 191 CB ARG D 23 192.702 209.909 141.357 1.00 95.01 C +ATOM 192 CG ARG D 23 192.661 211.128 142.242 1.00 95.01 C +ATOM 193 CD ARG D 23 192.974 210.768 143.671 1.00 95.01 C +ATOM 194 NE ARG D 23 191.901 209.998 144.276 1.00 95.01 N +ATOM 195 CZ ARG D 23 190.885 210.552 144.923 1.00 95.01 C +ATOM 196 NH1 ARG D 23 190.824 211.869 145.057 1.00 95.01 N +ATOM 197 NH2 ARG D 23 189.942 209.795 145.454 1.00 95.01 N +ATOM 198 N GLN D 24 192.629 208.202 138.562 1.00 85.60 N +ATOM 199 CA GLN D 24 193.177 207.289 137.578 1.00 85.60 C +ATOM 200 C GLN D 24 193.098 207.937 136.200 1.00 85.60 C +ATOM 201 O GLN D 24 192.623 209.063 136.041 1.00 85.60 O +ATOM 202 CB GLN D 24 192.445 205.959 137.642 1.00 85.60 C +ATOM 203 CG GLN D 24 192.767 205.176 138.892 1.00 85.60 C +ATOM 204 CD GLN D 24 191.917 203.944 139.028 1.00 85.60 C +ATOM 205 OE1 GLN D 24 190.971 203.748 138.271 1.00 85.60 O +ATOM 206 NE2 GLN D 24 192.258 203.091 139.977 1.00 85.60 N +ATOM 207 N ALA D 25 193.566 207.225 135.181 1.00 82.74 N +ATOM 208 CA ALA D 25 193.693 207.785 133.838 1.00 82.74 C +ATOM 209 C ALA D 25 192.517 207.409 132.952 1.00 82.74 C +ATOM 210 O ALA D 25 192.685 207.116 131.766 1.00 82.74 O +ATOM 211 CB ALA D 25 195.006 207.345 133.202 1.00 82.74 C +ATOM 212 N VAL D 26 191.312 207.399 133.508 1.00 81.03 N +ATOM 213 CA VAL D 26 190.130 206.875 132.837 1.00 81.03 C +ATOM 214 C VAL D 26 189.172 208.021 132.552 1.00 81.03 C +ATOM 215 O VAL D 26 188.677 208.671 133.480 1.00 81.03 O +ATOM 216 CB VAL D 26 189.461 205.793 133.689 1.00 81.03 C +ATOM 217 CG1 VAL D 26 188.187 205.351 133.048 1.00 81.03 C +ATOM 218 CG2 VAL D 26 190.409 204.635 133.851 1.00 81.03 C +ATOM 219 N ASN D 27 188.893 208.255 131.271 1.00 78.23 N +ATOM 220 CA ASN D 27 188.033 209.359 130.866 1.00 78.23 C +ATOM 221 C ASN D 27 186.571 209.011 131.100 1.00 78.23 C +ATOM 222 O ASN D 27 186.052 208.055 130.515 1.00 78.23 O +ATOM 223 CB ASN D 27 188.255 209.701 129.395 1.00 78.23 C +ATOM 224 CG ASN D 27 189.588 210.375 129.146 1.00 78.23 C +ATOM 225 OD1 ASN D 27 190.023 211.221 129.925 1.00 78.23 O +ATOM 226 ND2 ASN D 27 190.238 210.012 128.047 1.00 78.23 N +ATOM 227 N CYS D 28 185.907 209.799 131.936 1.00 81.37 N +ATOM 228 CA CYS D 28 184.519 209.582 132.310 1.00 81.37 C +ATOM 229 C CYS D 28 183.584 210.405 131.440 1.00 81.37 C +ATOM 230 O CYS D 28 183.995 211.341 130.754 1.00 81.37 O +ATOM 231 CB CYS D 28 184.285 209.949 133.774 1.00 81.37 C +ATOM 232 SG CYS D 28 185.123 208.892 134.945 1.00 81.37 S +ATOM 233 N LEU D 29 182.306 210.041 131.491 1.00 77.97 N +ATOM 234 CA LEU D 29 181.271 210.765 130.760 1.00 77.97 C +ATOM 235 C LEU D 29 179.937 210.516 131.447 1.00 77.97 C +ATOM 236 O LEU D 29 179.507 209.365 131.566 1.00 77.97 O +ATOM 237 CB LEU D 29 181.224 210.329 129.307 1.00 77.97 C +ATOM 238 CG LEU D 29 180.203 211.092 128.477 1.00 77.97 C +ATOM 239 CD1 LEU D 29 180.574 212.552 128.439 1.00 77.97 C +ATOM 240 CD2 LEU D 29 180.142 210.529 127.085 1.00 77.97 C +ATOM 241 N ALA D 30 179.293 211.580 131.890 1.00 93.94 N +ATOM 242 CA ALA D 30 177.988 211.471 132.521 1.00 93.94 C +ATOM 243 C ALA D 30 177.204 212.737 132.227 1.00 93.94 C +ATOM 244 O ALA D 30 177.651 213.831 132.591 1.00 93.94 O +ATOM 245 CB ALA D 30 178.120 211.259 134.027 1.00 93.94 C +ATOM 246 N PRO D 31 176.055 212.638 131.565 1.00 99.12 N +ATOM 247 CA PRO D 31 175.311 213.848 131.204 1.00 99.12 C +ATOM 248 C PRO D 31 174.699 214.517 132.422 1.00 99.12 C +ATOM 249 O PRO D 31 173.714 214.040 132.993 1.00 99.12 O +ATOM 250 CB PRO D 31 174.236 213.324 130.244 1.00 99.12 C +ATOM 251 CG PRO D 31 174.770 212.029 129.746 1.00 99.12 C +ATOM 252 CD PRO D 31 175.515 211.446 130.898 1.00 99.12 C +ATOM 253 N MET D 32 175.302 215.623 132.829 1.00112.05 N +ATOM 254 CA MET D 32 174.878 216.368 134.002 1.00112.05 C +ATOM 255 C MET D 32 173.889 217.434 133.573 1.00112.05 C +ATOM 256 O MET D 32 174.175 218.215 132.664 1.00112.05 O +ATOM 257 CB MET D 32 176.069 217.024 134.694 1.00112.05 C +ATOM 258 CG MET D 32 177.039 216.063 135.311 1.00112.05 C +ATOM 259 SD MET D 32 176.286 215.127 136.642 1.00112.05 S +ATOM 260 CE MET D 32 177.637 214.037 137.049 1.00112.05 C +ATOM 261 N ILE D 33 172.739 217.480 134.225 1.00119.19 N +ATOM 262 CA ILE D 33 171.787 218.557 134.009 1.00119.19 C +ATOM 263 C ILE D 33 171.481 219.186 135.362 1.00119.19 C +ATOM 264 O ILE D 33 171.425 218.498 136.387 1.00119.19 O +ATOM 265 CB ILE D 33 170.522 218.054 133.272 1.00119.19 C +ATOM 266 CG1 ILE D 33 169.607 219.211 132.866 1.00119.19 C +ATOM 267 CG2 ILE D 33 169.784 216.982 134.054 1.00119.19 C +ATOM 268 CD1 ILE D 33 168.575 218.810 131.851 1.00119.19 C +ATOM 269 N THR D 34 171.382 220.509 135.384 1.00131.99 N +ATOM 270 CA THR D 34 171.122 221.204 136.636 1.00131.99 C +ATOM 271 C THR D 34 169.632 221.150 136.921 1.00131.99 C +ATOM 272 O THR D 34 168.851 221.871 136.296 1.00131.99 O +ATOM 273 CB THR D 34 171.612 222.643 136.564 1.00131.99 C +ATOM 274 OG1 THR D 34 173.015 222.654 136.282 1.00131.99 O +ATOM 275 CG2 THR D 34 171.378 223.334 137.885 1.00131.99 C +ATOM 276 N LEU D 35 169.235 220.289 137.849 1.00141.16 N +ATOM 277 CA LEU D 35 167.838 220.092 138.200 1.00141.16 C +ATOM 278 C LEU D 35 167.553 220.758 139.537 1.00141.16 C +ATOM 279 O LEU D 35 168.312 220.587 140.496 1.00141.16 O +ATOM 280 CB LEU D 35 167.496 218.604 138.251 1.00141.16 C +ATOM 281 CG LEU D 35 167.619 217.911 136.892 1.00141.16 C +ATOM 282 CD1 LEU D 35 167.315 216.418 136.930 1.00141.16 C +ATOM 283 CD2 LEU D 35 166.736 218.589 135.889 1.00141.16 C +ATOM 284 N GLU D 36 166.482 221.540 139.583 1.00155.07 N +ATOM 285 CA GLU D 36 166.053 222.231 140.796 1.00155.07 C +ATOM 286 C GLU D 36 165.445 221.218 141.758 1.00155.07 C +ATOM 287 O GLU D 36 164.323 220.753 141.565 1.00155.07 O +ATOM 288 CB GLU D 36 165.073 223.338 140.424 1.00155.07 C +ATOM 289 CG GLU D 36 164.501 224.138 141.576 1.00155.07 C +ATOM 290 CD GLU D 36 163.163 223.598 142.030 1.00155.07 C +ATOM 291 OE1 GLU D 36 162.432 223.036 141.195 1.00155.07 O +ATOM 292 OE2 GLU D 36 162.841 223.714 143.220 1.00155.07 O +ATOM 293 N LYS D 37 166.180 220.874 142.812 1.00159.92 N +ATOM 294 CA LYS D 37 165.789 219.782 143.693 1.00159.92 C +ATOM 295 C LYS D 37 165.715 220.279 145.129 1.00159.92 C +ATOM 296 O LYS D 37 166.622 220.974 145.595 1.00159.92 O +ATOM 297 CB LYS D 37 166.779 218.615 143.564 1.00159.92 C +ATOM 298 CG LYS D 37 166.404 217.339 144.310 1.00159.92 C +ATOM 299 CD LYS D 37 167.204 217.175 145.596 1.00159.92 C +ATOM 300 CE LYS D 37 166.890 215.862 146.295 1.00159.92 C +ATOM 301 NZ LYS D 37 167.371 214.689 145.521 1.00159.92 N +ATOM 302 N ILE D 38 164.636 219.925 145.823 1.00165.28 N +ATOM 303 CA ILE D 38 164.516 220.235 147.246 1.00165.28 C +ATOM 304 C ILE D 38 165.428 219.287 148.017 1.00165.28 C +ATOM 305 O ILE D 38 165.179 218.081 148.071 1.00165.28 O +ATOM 306 CB ILE D 38 163.067 220.127 147.732 1.00165.28 C +ATOM 307 CG1 ILE D 38 162.204 221.186 147.054 1.00165.28 C +ATOM 308 CG2 ILE D 38 162.994 220.266 149.250 1.00165.28 C +ATOM 309 CD1 ILE D 38 160.742 221.048 147.367 1.00165.28 C +ATOM 310 N VAL D 39 166.483 219.826 148.622 1.00170.49 N +ATOM 311 CA VAL D 39 167.456 218.986 149.305 1.00170.49 C +ATOM 312 C VAL D 39 167.003 218.758 150.738 1.00170.49 C +ATOM 313 O VAL D 39 166.642 217.639 151.118 1.00170.49 O +ATOM 314 CB VAL D 39 168.853 219.629 149.264 1.00170.49 C +ATOM 315 CG1 VAL D 39 169.868 218.759 149.992 1.00170.49 C +ATOM 316 CG2 VAL D 39 169.273 219.888 147.827 1.00170.49 C +ATOM 317 N ARG D 40 167.000 219.824 151.538 1.00180.99 N +ATOM 318 CA ARG D 40 166.449 219.804 152.895 1.00180.99 C +ATOM 319 C ARG D 40 165.712 221.128 153.048 1.00180.99 C +ATOM 320 O ARG D 40 166.274 222.107 153.544 1.00180.99 O +ATOM 321 CB ARG D 40 167.530 219.649 153.954 1.00180.99 C +ATOM 322 CG ARG D 40 168.269 218.335 153.934 1.00180.99 C +ATOM 323 CD ARG D 40 169.325 218.302 155.009 1.00180.99 C +ATOM 324 NE ARG D 40 170.101 217.073 154.942 1.00180.99 N +ATOM 325 CZ ARG D 40 171.217 216.945 154.237 1.00180.99 C +ATOM 326 NH1 ARG D 40 171.694 217.970 153.544 1.00180.99 N +ATOM 327 NH2 ARG D 40 171.855 215.792 154.227 1.00180.99 N +ATOM 328 N GLY D 41 164.458 221.159 152.605 1.00178.66 N +ATOM 329 CA GLY D 41 163.654 222.362 152.664 1.00178.66 C +ATOM 330 C GLY D 41 164.058 223.494 151.744 1.00178.66 C +ATOM 331 O GLY D 41 163.311 224.474 151.641 1.00178.66 O +ATOM 332 N LYS D 42 165.194 223.401 151.062 1.00171.43 N +ATOM 333 CA LYS D 42 165.739 224.494 150.276 1.00171.43 C +ATOM 334 C LYS D 42 165.808 224.068 148.823 1.00171.43 C +ATOM 335 O LYS D 42 166.466 223.078 148.490 1.00171.43 O +ATOM 336 CB LYS D 42 167.121 224.894 150.787 1.00171.43 C +ATOM 337 CG LYS D 42 167.082 225.533 152.159 1.00171.43 C +ATOM 338 CD LYS D 42 168.474 225.791 152.703 1.00171.43 C +ATOM 339 CE LYS D 42 169.150 226.939 151.977 1.00171.43 C +ATOM 340 NZ LYS D 42 170.460 227.277 152.597 1.00171.43 N +ATOM 341 N ARG D 43 165.135 224.826 147.962 1.00169.03 N +ATOM 342 CA ARG D 43 165.072 224.528 146.537 1.00169.03 C +ATOM 343 C ARG D 43 166.420 224.867 145.912 1.00169.03 C +ATOM 344 O ARG D 43 166.671 225.976 145.437 1.00169.03 O +ATOM 345 CB ARG D 43 163.932 225.299 145.893 1.00169.03 C +ATOM 346 CG ARG D 43 162.568 224.811 146.332 1.00169.03 C +ATOM 347 CD ARG D 43 161.466 225.518 145.581 1.00169.03 C +ATOM 348 NE ARG D 43 160.159 224.954 145.890 1.00169.03 N +ATOM 349 CZ ARG D 43 159.026 225.371 145.341 1.00169.03 C +ATOM 350 NH1 ARG D 43 159.042 226.357 144.457 1.00169.03 N +ATOM 351 NH2 ARG D 43 157.879 224.805 145.675 1.00169.03 N +ATOM 352 N THR D 44 167.314 223.885 145.933 1.00158.64 N +ATOM 353 CA THR D 44 168.681 224.071 145.467 1.00158.64 C +ATOM 354 C THR D 44 168.840 223.432 144.094 1.00158.64 C +ATOM 355 O THR D 44 168.609 222.230 143.932 1.00158.64 O +ATOM 356 CB THR D 44 169.674 223.468 146.460 1.00158.64 C +ATOM 357 OG1 THR D 44 169.517 224.100 147.738 1.00158.64 O +ATOM 358 CG2 THR D 44 171.101 223.668 145.977 1.00158.64 C +ATOM 359 N ALA D 45 169.229 224.233 143.109 1.00145.16 N +ATOM 360 CA ALA D 45 169.500 223.714 141.774 1.00145.16 C +ATOM 361 C ALA D 45 170.815 222.950 141.798 1.00145.16 C +ATOM 362 O ALA D 45 171.887 223.551 141.909 1.00145.16 O +ATOM 363 CB ALA D 45 169.545 224.857 140.764 1.00145.16 C +ATOM 364 N VAL D 46 170.741 221.626 141.701 1.00135.01 N +ATOM 365 CA VAL D 46 171.905 220.755 141.798 1.00135.01 C +ATOM 366 C VAL D 46 172.201 220.201 140.414 1.00135.01 C +ATOM 367 O VAL D 46 171.299 219.693 139.741 1.00135.01 O +ATOM 368 CB VAL D 46 171.668 219.617 142.808 1.00135.01 C +ATOM 369 CG1 VAL D 46 172.854 218.672 142.852 1.00135.01 C +ATOM 370 CG2 VAL D 46 171.392 220.184 144.184 1.00135.01 C +ATOM 371 N SER D 47 173.458 220.306 139.981 1.00127.12 N +ATOM 372 CA SER D 47 173.871 219.737 138.699 1.00127.12 C +ATOM 373 C SER D 47 173.994 218.226 138.866 1.00127.12 C +ATOM 374 O SER D 47 175.076 217.671 139.071 1.00127.12 O +ATOM 375 CB SER D 47 175.177 220.354 138.222 1.00127.12 C +ATOM 376 OG SER D 47 176.251 219.964 139.056 1.00127.12 O +ATOM 377 N GLU D 48 172.856 217.550 138.761 1.00122.68 N +ATOM 378 CA GLU D 48 172.802 216.126 139.036 1.00122.68 C +ATOM 379 C GLU D 48 172.746 215.347 137.729 1.00122.68 C +ATOM 380 O GLU D 48 172.482 215.929 136.674 1.00122.68 O +ATOM 381 CB GLU D 48 171.595 215.814 139.936 1.00122.68 C +ATOM 382 CG GLU D 48 170.221 216.048 139.361 1.00122.68 C +ATOM 383 CD GLU D 48 169.149 215.781 140.406 1.00122.68 C +ATOM 384 OE1 GLU D 48 169.519 215.474 141.555 1.00122.68 O +ATOM 385 OE2 GLU D 48 167.946 215.862 140.097 1.00122.68 O +ATOM 386 N PRO D 49 173.068 214.048 137.731 1.00103.86 N +ATOM 387 CA PRO D 49 173.032 213.302 136.470 1.00103.86 C +ATOM 388 C PRO D 49 171.623 213.167 135.935 1.00103.86 C +ATOM 389 O PRO D 49 170.673 212.932 136.683 1.00103.86 O +ATOM 390 CB PRO D 49 173.616 211.939 136.846 1.00103.86 C +ATOM 391 CG PRO D 49 174.467 212.212 137.994 1.00103.86 C +ATOM 392 CD PRO D 49 173.766 213.270 138.772 1.00103.86 C +ATOM 393 N LEU D 50 171.498 213.374 134.625 1.00 93.06 N +ATOM 394 CA LEU D 50 170.222 213.162 133.961 1.00 93.06 C +ATOM 395 C LEU D 50 169.824 211.703 134.019 1.00 93.06 C +ATOM 396 O LEU D 50 168.640 211.379 134.155 1.00 93.06 O +ATOM 397 CB LEU D 50 170.307 213.657 132.519 1.00 93.06 C +ATOM 398 CG LEU D 50 169.034 213.596 131.686 1.00 93.06 C +ATOM 399 CD1 LEU D 50 168.849 214.892 130.951 1.00 93.06 C +ATOM 400 CD2 LEU D 50 169.145 212.490 130.673 1.00 93.06 C +ATOM 401 N PHE D 51 170.796 210.828 133.951 1.00 84.79 N +ATOM 402 CA PHE D 51 170.600 209.407 134.149 1.00 84.79 C +ATOM 403 C PHE D 51 170.695 209.083 135.629 1.00 84.79 C +ATOM 404 O PHE D 51 171.083 209.916 136.447 1.00 84.79 O +ATOM 405 CB PHE D 51 171.646 208.658 133.337 1.00 84.79 C +ATOM 406 CG PHE D 51 171.446 208.782 131.863 1.00 84.79 C +ATOM 407 CD1 PHE D 51 170.180 208.967 131.338 1.00 84.79 C +ATOM 408 CD2 PHE D 51 172.528 208.799 131.006 1.00 84.79 C +ATOM 409 CE1 PHE D 51 169.993 209.095 129.979 1.00 84.79 C +ATOM 410 CE2 PHE D 51 172.346 208.947 129.647 1.00 84.79 C +ATOM 411 CZ PHE D 51 171.077 209.096 129.135 1.00 84.79 C +ATOM 412 N PRO D 52 170.340 207.879 136.015 1.00 78.27 N +ATOM 413 CA PRO D 52 170.762 207.361 137.321 1.00 78.27 C +ATOM 414 C PRO D 52 172.239 207.011 137.356 1.00 78.27 C +ATOM 415 O PRO D 52 173.040 207.519 136.565 1.00 78.27 O +ATOM 416 CB PRO D 52 169.890 206.120 137.506 1.00 78.27 C +ATOM 417 CG PRO D 52 168.707 206.367 136.669 1.00 78.27 C +ATOM 418 CD PRO D 52 169.214 207.102 135.474 1.00 78.27 C +ATOM 419 N ASN D 53 172.616 206.138 138.291 1.00 75.64 N +ATOM 420 CA ASN D 53 173.989 205.773 138.647 1.00 75.64 C +ATOM 421 C ASN D 53 174.917 205.353 137.501 1.00 75.64 C +ATOM 422 O ASN D 53 176.112 205.146 137.723 1.00 75.64 O +ATOM 423 CB ASN D 53 173.922 204.624 139.643 1.00 75.64 C +ATOM 424 CG ASN D 53 173.091 204.960 140.852 1.00 75.64 C +ATOM 425 OD1 ASN D 53 173.135 206.074 141.357 1.00 75.64 O +ATOM 426 ND2 ASN D 53 172.323 203.994 141.324 1.00 75.64 N +ATOM 427 N TYR D 54 174.360 205.187 136.299 1.00 75.67 N +ATOM 428 CA TYR D 54 175.083 204.947 135.058 1.00 75.67 C +ATOM 429 C TYR D 54 176.193 205.958 134.827 1.00 75.67 C +ATOM 430 O TYR D 54 176.118 207.110 135.258 1.00 75.67 O +ATOM 431 CB TYR D 54 174.087 205.013 133.908 1.00 75.67 C +ATOM 432 CG TYR D 54 173.185 203.830 133.869 1.00 75.67 C +ATOM 433 CD1 TYR D 54 173.666 202.580 134.188 1.00 75.67 C +ATOM 434 CD2 TYR D 54 171.836 203.969 133.632 1.00 75.67 C +ATOM 435 CE1 TYR D 54 172.858 201.484 134.171 1.00 75.67 C +ATOM 436 CE2 TYR D 54 171.007 202.874 133.648 1.00 75.67 C +ATOM 437 CZ TYR D 54 171.527 201.632 133.918 1.00 75.67 C +ATOM 438 OH TYR D 54 170.723 200.520 133.926 1.00 75.67 O +ATOM 439 N LEU D 55 177.218 205.514 134.109 1.00 71.11 N +ATOM 440 CA LEU D 55 178.392 206.323 133.833 1.00 71.11 C +ATOM 441 C LEU D 55 179.090 205.698 132.638 1.00 71.11 C +ATOM 442 O LEU D 55 178.976 204.493 132.420 1.00 71.11 O +ATOM 443 CB LEU D 55 179.304 206.359 135.061 1.00 71.11 C +ATOM 444 CG LEU D 55 180.487 207.296 135.212 1.00 71.11 C +ATOM 445 CD1 LEU D 55 180.660 207.567 136.678 1.00 71.11 C +ATOM 446 CD2 LEU D 55 181.733 206.669 134.691 1.00 71.11 C +ATOM 447 N PHE D 56 179.796 206.504 131.862 1.00 70.76 N +ATOM 448 CA PHE D 56 180.542 205.997 130.724 1.00 70.76 C +ATOM 449 C PHE D 56 182.026 206.147 130.989 1.00 70.76 C +ATOM 450 O PHE D 56 182.464 207.169 131.514 1.00 70.76 O +ATOM 451 CB PHE D 56 180.189 206.761 129.453 1.00 70.76 C +ATOM 452 CG PHE D 56 178.821 206.480 128.920 1.00 70.76 C +ATOM 453 CD1 PHE D 56 178.109 205.372 129.316 1.00 70.76 C +ATOM 454 CD2 PHE D 56 178.252 207.333 128.002 1.00 70.76 C +ATOM 455 CE1 PHE D 56 176.857 205.135 128.808 1.00 70.76 C +ATOM 456 CE2 PHE D 56 177.004 207.088 127.496 1.00 70.76 C +ATOM 457 CZ PHE D 56 176.309 205.989 127.901 1.00 70.76 C +ATOM 458 N VAL D 57 182.804 205.151 130.594 1.00 70.82 N +ATOM 459 CA VAL D 57 184.252 205.248 130.675 1.00 70.82 C +ATOM 460 C VAL D 57 184.847 204.948 129.313 1.00 70.82 C +ATOM 461 O VAL D 57 184.263 204.227 128.502 1.00 70.82 O +ATOM 462 CB VAL D 57 184.851 204.299 131.726 1.00 70.82 C +ATOM 463 CG1 VAL D 57 184.463 204.736 133.104 1.00 70.82 C +ATOM 464 CG2 VAL D 57 184.388 202.900 131.487 1.00 70.82 C +ATOM 465 N GLU D 58 186.015 205.518 129.059 1.00 75.45 N +ATOM 466 CA GLU D 58 186.812 205.142 127.903 1.00 75.45 C +ATOM 467 C GLU D 58 188.166 204.682 128.400 1.00 75.45 C +ATOM 468 O GLU D 58 188.932 205.487 128.936 1.00 75.45 O +ATOM 469 CB GLU D 58 186.999 206.295 126.923 1.00 75.45 C +ATOM 470 CG GLU D 58 187.715 205.840 125.664 1.00 75.45 C +ATOM 471 CD GLU D 58 188.068 206.968 124.727 1.00 75.45 C +ATOM 472 OE1 GLU D 58 187.873 208.142 125.097 1.00 75.45 O +ATOM 473 OE2 GLU D 58 188.539 206.676 123.609 1.00 75.45 O +ATOM 474 N PHE D 59 188.470 203.407 128.198 1.00 70.04 N +ATOM 475 CA PHE D 59 189.811 202.924 128.485 1.00 70.04 C +ATOM 476 C PHE D 59 190.105 201.743 127.574 1.00 70.04 C +ATOM 477 O PHE D 59 189.279 201.346 126.750 1.00 70.04 O +ATOM 478 CB PHE D 59 189.979 202.569 129.969 1.00 70.04 C +ATOM 479 CG PHE D 59 189.159 201.399 130.424 1.00 70.04 C +ATOM 480 CD1 PHE D 59 187.874 201.584 130.889 1.00 70.04 C +ATOM 481 CD2 PHE D 59 189.693 200.119 130.444 1.00 70.04 C +ATOM 482 CE1 PHE D 59 187.125 200.516 131.333 1.00 70.04 C +ATOM 483 CE2 PHE D 59 188.941 199.049 130.876 1.00 70.04 C +ATOM 484 CZ PHE D 59 187.657 199.251 131.319 1.00 70.04 C +ATOM 485 N ASP D 60 191.294 201.185 127.732 1.00 74.57 N +ATOM 486 CA ASP D 60 191.690 199.969 127.065 1.00 74.57 C +ATOM 487 C ASP D 60 192.034 198.951 128.140 1.00 74.57 C +ATOM 488 O ASP D 60 192.594 199.324 129.177 1.00 74.57 O +ATOM 489 CB ASP D 60 192.896 200.216 126.158 1.00 74.57 C +ATOM 490 CG ASP D 60 193.184 199.055 125.240 1.00 74.57 C +ATOM 491 OD1 ASP D 60 192.467 198.910 124.229 1.00 74.57 O +ATOM 492 OD2 ASP D 60 194.116 198.282 125.534 1.00 74.57 O +ATOM 493 N PRO D 61 191.684 197.675 127.948 1.00 76.46 N +ATOM 494 CA PRO D 61 191.965 196.673 128.988 1.00 76.46 C +ATOM 495 C PRO D 61 193.440 196.410 129.211 1.00 76.46 C +ATOM 496 O PRO D 61 193.807 195.939 130.293 1.00 76.46 O +ATOM 497 CB PRO D 61 191.258 195.417 128.465 1.00 76.46 C +ATOM 498 CG PRO D 61 190.214 195.928 127.557 1.00 76.46 C +ATOM 499 CD PRO D 61 190.796 197.139 126.907 1.00 76.46 C +ATOM 500 N GLU D 62 194.297 196.708 128.237 1.00 78.41 N +ATOM 501 CA GLU D 62 195.725 196.499 128.428 1.00 78.41 C +ATOM 502 C GLU D 62 196.311 197.540 129.367 1.00 78.41 C +ATOM 503 O GLU D 62 197.192 197.228 130.174 1.00 78.41 O +ATOM 504 CB GLU D 62 196.432 196.543 127.081 1.00 78.41 C +ATOM 505 CG GLU D 62 195.995 195.454 126.135 1.00 78.41 C +ATOM 506 CD GLU D 62 196.610 195.607 124.764 1.00 78.41 C +ATOM 507 OE1 GLU D 62 197.260 196.643 124.517 1.00 78.41 O +ATOM 508 OE2 GLU D 62 196.444 194.691 123.933 1.00 78.41 O +ATOM 509 N VAL D 63 195.829 198.777 129.285 1.00 74.93 N +ATOM 510 CA VAL D 63 196.395 199.859 130.083 1.00 74.93 C +ATOM 511 C VAL D 63 195.964 199.738 131.538 1.00 74.93 C +ATOM 512 O VAL D 63 196.796 199.583 132.439 1.00 74.93 O +ATOM 513 CB VAL D 63 195.996 201.220 129.493 1.00 74.93 C +ATOM 514 CG1 VAL D 63 196.490 202.337 130.385 1.00 74.93 C +ATOM 515 CG2 VAL D 63 196.549 201.362 128.090 1.00 74.93 C +ATOM 516 N ILE D 64 194.660 199.818 131.789 1.00 72.86 N +ATOM 517 CA ILE D 64 194.080 199.570 133.104 1.00 72.86 C +ATOM 518 C ILE D 64 193.029 198.490 132.934 1.00 72.86 C +ATOM 519 O ILE D 64 192.176 198.587 132.047 1.00 72.86 O +ATOM 520 CB ILE D 64 193.464 200.840 133.712 1.00 72.86 C +ATOM 521 CG1 ILE D 64 194.517 201.931 133.862 1.00 72.86 C +ATOM 522 CG2 ILE D 64 192.879 200.541 135.067 1.00 72.86 C +ATOM 523 CD1 ILE D 64 193.938 203.282 134.204 1.00 72.86 C +ATOM 524 N HIS D 65 193.091 197.464 133.773 1.00 76.76 N +ATOM 525 CA HIS D 65 192.299 196.277 133.518 1.00 76.76 C +ATOM 526 C HIS D 65 190.877 196.445 134.052 1.00 76.76 C +ATOM 527 O HIS D 65 190.602 197.279 134.922 1.00 76.76 O +ATOM 528 CB HIS D 65 192.977 195.056 134.132 1.00 76.76 C +ATOM 529 CG HIS D 65 192.376 193.760 133.701 1.00 76.76 C +ATOM 530 ND1 HIS D 65 192.561 193.246 132.439 1.00 76.76 N +ATOM 531 CD2 HIS D 65 191.556 192.899 134.344 1.00 76.76 C +ATOM 532 CE1 HIS D 65 191.901 192.109 132.331 1.00 76.76 C +ATOM 533 NE2 HIS D 65 191.283 191.874 133.473 1.00 76.76 N +ATOM 534 N THR D 66 189.962 195.644 133.494 1.00 73.83 N +ATOM 535 CA THR D 66 188.554 195.721 133.860 1.00 73.83 C +ATOM 536 C THR D 66 188.320 195.325 135.304 1.00 73.83 C +ATOM 537 O THR D 66 187.377 195.816 135.924 1.00 73.83 O +ATOM 538 CB THR D 66 187.727 194.827 132.950 1.00 73.83 C +ATOM 539 OG1 THR D 66 188.184 193.478 133.086 1.00 73.83 O +ATOM 540 CG2 THR D 66 187.882 195.253 131.521 1.00 73.83 C +ATOM 541 N THR D 67 189.163 194.452 135.855 1.00 75.31 N +ATOM 542 CA THR D 67 189.097 194.157 137.281 1.00 75.31 C +ATOM 543 C THR D 67 189.413 195.395 138.104 1.00 75.31 C +ATOM 544 O THR D 67 188.748 195.671 139.108 1.00 75.31 O +ATOM 545 CB THR D 67 190.070 193.035 137.622 1.00 75.31 C +ATOM 546 OG1 THR D 67 189.778 191.898 136.807 1.00 75.31 O +ATOM 547 CG2 THR D 67 189.944 192.640 139.074 1.00 75.31 C +ATOM 548 N THR D 68 190.406 196.169 137.667 1.00 77.29 N +ATOM 549 CA THR D 68 190.780 197.388 138.370 1.00 77.29 C +ATOM 550 C THR D 68 189.684 198.438 138.263 1.00 77.29 C +ATOM 551 O THR D 68 189.398 199.144 139.236 1.00 77.29 O +ATOM 552 CB THR D 68 192.103 197.903 137.810 1.00 77.29 C +ATOM 553 OG1 THR D 68 193.090 196.877 137.938 1.00 77.29 O +ATOM 554 CG2 THR D 68 192.581 199.122 138.556 1.00 77.29 C +ATOM 555 N ILE D 69 189.027 198.520 137.107 1.00 74.76 N +ATOM 556 CA ILE D 69 187.899 199.435 136.971 1.00 74.76 C +ATOM 557 C ILE D 69 186.724 198.957 137.810 1.00 74.76 C +ATOM 558 O ILE D 69 185.988 199.759 138.394 1.00 74.76 O +ATOM 559 CB ILE D 69 187.516 199.585 135.490 1.00 74.76 C +ATOM 560 CG1 ILE D 69 188.718 200.054 134.687 1.00 74.76 C +ATOM 561 CG2 ILE D 69 186.430 200.605 135.318 1.00 74.76 C +ATOM 562 CD1 ILE D 69 189.253 201.375 135.145 1.00 74.76 C +ATOM 563 N ASN D 70 186.559 197.643 137.919 1.00 74.25 N +ATOM 564 CA ASN D 70 185.468 197.071 138.692 1.00 74.25 C +ATOM 565 C ASN D 70 185.692 197.259 140.186 1.00 74.25 C +ATOM 566 O ASN D 70 184.730 197.347 140.952 1.00 74.25 O +ATOM 567 CB ASN D 70 185.350 195.592 138.328 1.00 74.25 C +ATOM 568 CG ASN D 70 184.035 194.985 138.725 1.00 74.25 C +ATOM 569 OD1 ASN D 70 183.174 195.642 139.298 1.00 74.25 O +ATOM 570 ND2 ASN D 70 183.862 193.713 138.400 1.00 74.25 N +ATOM 571 N ALA D 71 186.945 197.350 140.615 1.00 79.38 N +ATOM 572 CA ALA D 71 187.267 197.508 142.021 1.00 79.38 C +ATOM 573 C ALA D 71 187.425 198.961 142.427 1.00 79.38 C +ATOM 574 O ALA D 71 187.934 199.236 143.515 1.00 79.38 O +ATOM 575 CB ALA D 71 188.541 196.736 142.358 1.00 79.38 C +ATOM 576 N THR D 72 187.015 199.892 141.579 1.00 81.70 N +ATOM 577 CA THR D 72 187.162 201.306 141.872 1.00 81.70 C +ATOM 578 C THR D 72 186.173 201.713 142.961 1.00 81.70 C +ATOM 579 O THR D 72 185.055 201.201 143.030 1.00 81.70 O +ATOM 580 CB THR D 72 186.949 202.113 140.593 1.00 81.70 C +ATOM 581 OG1 THR D 72 187.802 201.590 139.571 1.00 81.70 O +ATOM 582 CG2 THR D 72 187.300 203.565 140.786 1.00 81.70 C +ATOM 583 N ARG D 73 186.615 202.611 143.842 1.00 88.46 N +ATOM 584 CA ARG D 73 185.815 203.074 144.975 1.00 88.46 C +ATOM 585 C ARG D 73 184.614 203.862 144.471 1.00 88.46 C +ATOM 586 O ARG D 73 184.739 205.013 144.054 1.00 88.46 O +ATOM 587 CB ARG D 73 186.660 203.941 145.898 1.00 88.46 C +ATOM 588 CG ARG D 73 187.898 203.285 146.441 1.00 88.46 C +ATOM 589 CD ARG D 73 187.530 202.158 147.349 1.00 88.46 C +ATOM 590 NE ARG D 73 188.705 201.551 147.957 1.00 88.46 N +ATOM 591 CZ ARG D 73 189.176 201.897 149.147 1.00 88.46 C +ATOM 592 NH1 ARG D 73 188.555 202.827 149.859 1.00 88.46 N +ATOM 593 NH2 ARG D 73 190.256 201.309 149.633 1.00 88.46 N +ATOM 594 N GLY D 74 183.436 203.253 144.529 1.00 90.99 N +ATOM 595 CA GLY D 74 182.216 203.898 144.100 1.00 90.99 C +ATOM 596 C GLY D 74 181.566 203.289 142.882 1.00 90.99 C +ATOM 597 O GLY D 74 180.582 203.846 142.387 1.00 90.99 O +ATOM 598 N VAL D 75 182.070 202.166 142.389 1.00 77.92 N +ATOM 599 CA VAL D 75 181.571 201.532 141.178 1.00 77.92 C +ATOM 600 C VAL D 75 180.930 200.207 141.556 1.00 77.92 C +ATOM 601 O VAL D 75 181.544 199.392 142.253 1.00 77.92 O +ATOM 602 CB VAL D 75 182.701 201.321 140.162 1.00 77.92 C +ATOM 603 CG1 VAL D 75 182.192 200.585 138.954 1.00 77.92 C +ATOM 604 CG2 VAL D 75 183.290 202.645 139.762 1.00 77.92 C +ATOM 605 N SER D 76 179.699 199.988 141.096 1.00 76.76 N +ATOM 606 CA SER D 76 179.054 198.700 141.335 1.00 76.76 C +ATOM 607 C SER D 76 179.558 197.635 140.368 1.00 76.76 C +ATOM 608 O SER D 76 180.243 196.696 140.780 1.00 76.76 O +ATOM 609 CB SER D 76 177.535 198.839 141.237 1.00 76.76 C +ATOM 610 OG SER D 76 176.921 197.567 141.291 1.00 76.76 O +ATOM 611 N HIS D 77 179.276 197.793 139.074 1.00 66.86 N +ATOM 612 CA HIS D 77 179.646 196.759 138.111 1.00 66.86 C +ATOM 613 C HIS D 77 179.577 197.290 136.689 1.00 66.86 C +ATOM 614 O HIS D 77 178.833 198.225 136.389 1.00 66.86 O +ATOM 615 CB HIS D 77 178.747 195.529 138.232 1.00 66.86 C +ATOM 616 CG HIS D 77 177.293 195.829 138.086 1.00 66.86 C +ATOM 617 ND1 HIS D 77 176.531 196.298 139.130 1.00 66.86 N +ATOM 618 CD2 HIS D 77 176.457 195.717 137.030 1.00 66.86 C +ATOM 619 CE1 HIS D 77 175.286 196.460 138.723 1.00 66.86 C +ATOM 620 NE2 HIS D 77 175.216 196.122 137.450 1.00 66.86 N +ATOM 621 N PHE D 78 180.349 196.653 135.811 1.00 66.96 N +ATOM 622 CA PHE D 78 180.138 196.804 134.381 1.00 66.96 C +ATOM 623 C PHE D 78 178.782 196.257 133.974 1.00 66.96 C +ATOM 624 O PHE D 78 178.268 195.310 134.565 1.00 66.96 O +ATOM 625 CB PHE D 78 181.197 196.053 133.592 1.00 66.96 C +ATOM 626 CG PHE D 78 182.512 196.723 133.545 1.00 66.96 C +ATOM 627 CD1 PHE D 78 182.766 197.685 132.593 1.00 66.96 C +ATOM 628 CD2 PHE D 78 183.505 196.376 134.426 1.00 66.96 C +ATOM 629 CE1 PHE D 78 183.975 198.302 132.540 1.00 66.96 C +ATOM 630 CE2 PHE D 78 184.724 196.987 134.373 1.00 66.96 C +ATOM 631 CZ PHE D 78 184.958 197.948 133.429 1.00 66.96 C +ATOM 632 N VAL D 79 178.216 196.834 132.927 1.00 66.41 N +ATOM 633 CA VAL D 79 177.025 196.263 132.319 1.00 66.41 C +ATOM 634 C VAL D 79 177.485 195.165 131.377 1.00 66.41 C +ATOM 635 O VAL D 79 178.282 195.410 130.468 1.00 66.41 O +ATOM 636 CB VAL D 79 176.225 197.333 131.578 1.00 66.41 C +ATOM 637 CG1 VAL D 79 174.985 196.727 130.969 1.00 66.41 C +ATOM 638 CG2 VAL D 79 175.871 198.393 132.536 1.00 66.41 C +ATOM 639 N ARG D 80 177.005 193.948 131.599 1.00 66.18 N +ATOM 640 CA ARG D 80 177.596 192.804 130.927 1.00 66.18 C +ATOM 641 C ARG D 80 176.744 192.236 129.807 1.00 66.18 C +ATOM 642 O ARG D 80 177.248 192.087 128.691 1.00 66.18 O +ATOM 643 CB ARG D 80 177.910 191.706 131.944 1.00 66.18 C +ATOM 644 CG ARG D 80 179.024 192.096 132.864 1.00 66.18 C +ATOM 645 CD ARG D 80 179.480 190.945 133.717 1.00 66.18 C +ATOM 646 NE ARG D 80 180.559 191.357 134.601 1.00 66.18 N +ATOM 647 CZ ARG D 80 181.837 191.368 134.250 1.00 66.18 C +ATOM 648 NH1 ARG D 80 182.190 190.996 133.031 1.00 66.18 N +ATOM 649 NH2 ARG D 80 182.759 191.762 135.114 1.00 66.18 N +ATOM 650 N PHE D 81 175.485 191.897 130.096 1.00 61.82 N +ATOM 651 CA PHE D 81 174.516 191.119 129.313 1.00 61.82 C +ATOM 652 C PHE D 81 174.891 189.647 129.212 1.00 61.82 C +ATOM 653 O PHE D 81 174.148 188.881 128.602 1.00 61.82 O +ATOM 654 CB PHE D 81 174.295 191.634 127.881 1.00 61.82 C +ATOM 655 CG PHE D 81 173.742 193.014 127.799 1.00 61.82 C +ATOM 656 CD1 PHE D 81 173.086 193.594 128.870 1.00 61.82 C +ATOM 657 CD2 PHE D 81 173.892 193.741 126.637 1.00 61.82 C +ATOM 658 CE1 PHE D 81 172.593 194.863 128.780 1.00 61.82 C +ATOM 659 CE2 PHE D 81 173.393 195.010 126.541 1.00 61.82 C +ATOM 660 CZ PHE D 81 172.749 195.572 127.615 1.00 61.82 C +ATOM 661 N GLY D 82 175.997 189.220 129.807 1.00 67.85 N +ATOM 662 CA GLY D 82 176.530 187.890 129.600 1.00 67.85 C +ATOM 663 C GLY D 82 177.909 187.778 130.209 1.00 67.85 C +ATOM 664 O GLY D 82 178.104 188.141 131.371 1.00 67.85 O +ATOM 665 N ALA D 83 178.885 187.293 129.448 1.00 62.25 N +ATOM 666 CA ALA D 83 180.228 187.181 129.999 1.00 62.25 C +ATOM 667 C ALA D 83 180.951 188.524 129.991 1.00 62.25 C +ATOM 668 O ALA D 83 181.229 189.099 131.048 1.00 62.25 O +ATOM 669 CB ALA D 83 181.028 186.142 129.214 1.00 62.25 C +ATOM 670 N SER D 84 181.226 189.051 128.812 1.00 65.62 N +ATOM 671 CA SER D 84 182.061 190.229 128.664 1.00 65.62 C +ATOM 672 C SER D 84 181.277 191.494 128.992 1.00 65.62 C +ATOM 673 O SER D 84 180.057 191.526 128.832 1.00 65.62 O +ATOM 674 CB SER D 84 182.593 190.311 127.238 1.00 65.62 C +ATOM 675 OG SER D 84 183.338 191.495 127.022 1.00 65.62 O +ATOM 676 N PRO D 85 181.946 192.538 129.480 1.00 62.12 N +ATOM 677 CA PRO D 85 181.282 193.837 129.609 1.00 62.12 C +ATOM 678 C PRO D 85 180.898 194.390 128.251 1.00 62.12 C +ATOM 679 O PRO D 85 181.514 194.080 127.230 1.00 62.12 O +ATOM 680 CB PRO D 85 182.342 194.714 130.278 1.00 62.12 C +ATOM 681 CG PRO D 85 183.217 193.761 130.984 1.00 62.12 C +ATOM 682 CD PRO D 85 183.270 192.544 130.120 1.00 62.12 C +ATOM 683 N ALA D 86 179.863 195.218 128.247 1.00 66.73 N +ATOM 684 CA ALA D 86 179.283 195.684 126.999 1.00 66.73 C +ATOM 685 C ALA D 86 180.160 196.732 126.328 1.00 66.73 C +ATOM 686 O ALA D 86 180.857 197.502 126.990 1.00 66.73 O +ATOM 687 CB ALA D 86 177.893 196.261 127.247 1.00 66.73 C +ATOM 688 N ILE D 87 180.126 196.745 125.002 1.00 66.48 N +ATOM 689 CA ILE D 87 180.714 197.806 124.199 1.00 66.48 C +ATOM 690 C ILE D 87 179.585 198.690 123.702 1.00 66.48 C +ATOM 691 O ILE D 87 178.689 198.219 122.995 1.00 66.48 O +ATOM 692 CB ILE D 87 181.507 197.243 123.014 1.00 66.48 C +ATOM 693 CG1 ILE D 87 182.727 196.469 123.494 1.00 66.48 C +ATOM 694 CG2 ILE D 87 181.909 198.360 122.070 1.00 66.48 C +ATOM 695 CD1 ILE D 87 183.747 197.343 124.143 1.00 66.48 C +ATOM 696 N VAL D 88 179.612 199.965 124.064 1.00 71.18 N +ATOM 697 CA VAL D 88 178.710 200.910 123.419 1.00 71.18 C +ATOM 698 C VAL D 88 179.405 201.396 122.154 1.00 71.18 C +ATOM 699 O VAL D 88 180.633 201.560 122.144 1.00 71.18 O +ATOM 700 CB VAL D 88 178.309 202.057 124.358 1.00 71.18 C +ATOM 701 CG1 VAL D 88 177.454 201.525 125.474 1.00 71.18 C +ATOM 702 CG2 VAL D 88 179.521 202.722 124.945 1.00 71.18 C +ATOM 703 N PRO D 89 178.686 201.573 121.054 1.00 81.50 N +ATOM 704 CA PRO D 89 179.327 202.044 119.825 1.00 81.50 C +ATOM 705 C PRO D 89 179.638 203.527 119.916 1.00 81.50 C +ATOM 706 O PRO D 89 179.202 204.233 120.825 1.00 81.50 O +ATOM 707 CB PRO D 89 178.285 201.747 118.747 1.00 81.50 C +ATOM 708 CG PRO D 89 176.994 201.780 119.472 1.00 81.50 C +ATOM 709 CD PRO D 89 177.263 201.261 120.849 1.00 81.50 C +ATOM 710 N SER D 90 180.420 203.998 118.946 1.00 83.75 N +ATOM 711 CA SER D 90 180.861 205.385 118.964 1.00 83.75 C +ATOM 712 C SER D 90 179.735 206.357 118.655 1.00 83.75 C +ATOM 713 O SER D 90 179.832 207.534 119.021 1.00 83.75 O +ATOM 714 CB SER D 90 182.002 205.580 117.974 1.00 83.75 C +ATOM 715 OG SER D 90 183.125 204.811 118.359 1.00 83.75 O +ATOM 716 N ALA D 91 178.668 205.887 118.009 1.00 90.33 N +ATOM 717 CA ALA D 91 177.539 206.759 117.720 1.00 90.33 C +ATOM 718 C ALA D 91 176.805 207.160 118.987 1.00 90.33 C +ATOM 719 O ALA D 91 176.303 208.281 119.075 1.00 90.33 O +ATOM 720 CB ALA D 91 176.583 206.073 116.750 1.00 90.33 C +ATOM 721 N VAL D 92 176.763 206.277 119.985 1.00 89.15 N +ATOM 722 CA VAL D 92 176.072 206.592 121.229 1.00 89.15 C +ATOM 723 C VAL D 92 176.856 207.623 122.027 1.00 89.15 C +ATOM 724 O VAL D 92 176.277 208.568 122.577 1.00 89.15 O +ATOM 725 CB VAL D 92 175.829 205.303 122.031 1.00 89.15 C +ATOM 726 CG1 VAL D 92 175.191 205.606 123.366 1.00 89.15 C +ATOM 727 CG2 VAL D 92 174.955 204.367 121.232 1.00 89.15 C +ATOM 728 N ILE D 93 178.183 207.482 122.069 1.00 83.14 N +ATOM 729 CA ILE D 93 179.029 208.481 122.717 1.00 83.14 C +ATOM 730 C ILE D 93 178.939 209.811 121.980 1.00 83.14 C +ATOM 731 O ILE D 93 178.896 210.883 122.598 1.00 83.14 O +ATOM 732 CB ILE D 93 180.479 207.975 122.789 1.00 83.14 C +ATOM 733 CG1 ILE D 93 180.540 206.644 123.526 1.00 83.14 C +ATOM 734 CG2 ILE D 93 181.357 208.968 123.503 1.00 83.14 C +ATOM 735 CD1 ILE D 93 180.089 206.729 124.947 1.00 83.14 C +ATOM 736 N HIS D 94 178.852 209.759 120.650 1.00 91.61 N +ATOM 737 CA HIS D 94 178.779 210.987 119.870 1.00 91.61 C +ATOM 738 C HIS D 94 177.436 211.686 120.041 1.00 91.61 C +ATOM 739 O HIS D 94 177.377 212.918 120.105 1.00 91.61 O +ATOM 740 CB HIS D 94 179.044 210.685 118.400 1.00 91.61 C +ATOM 741 CG HIS D 94 178.987 211.894 117.527 1.00 91.61 C +ATOM 742 ND1 HIS D 94 179.949 212.879 117.560 1.00 91.61 N +ATOM 743 CD2 HIS D 94 178.080 212.283 116.602 1.00 91.61 C +ATOM 744 CE1 HIS D 94 179.638 213.823 116.691 1.00 91.61 C +ATOM 745 NE2 HIS D 94 178.509 213.485 116.095 1.00 91.61 N +ATOM 746 N GLN D 95 176.351 210.923 120.128 1.00 93.32 N +ATOM 747 CA GLN D 95 175.035 211.513 120.305 1.00 93.32 C +ATOM 748 C GLN D 95 174.703 211.791 121.760 1.00 93.32 C +ATOM 749 O GLN D 95 173.642 212.358 122.038 1.00 93.32 O +ATOM 750 CB GLN D 95 173.962 210.611 119.704 1.00 93.32 C +ATOM 751 CG GLN D 95 174.009 210.525 118.196 1.00 93.32 C +ATOM 752 CD GLN D 95 172.885 209.678 117.645 1.00 93.32 C +ATOM 753 OE1 GLN D 95 172.093 209.117 118.401 1.00 93.32 O +ATOM 754 NE2 GLN D 95 172.804 209.584 116.325 1.00 93.32 N +ATOM 755 N LEU D 96 175.559 211.390 122.690 1.00 94.76 N +ATOM 756 CA LEU D 96 175.453 211.830 124.073 1.00 94.76 C +ATOM 757 C LEU D 96 176.521 212.863 124.394 1.00 94.76 C +ATOM 758 O LEU D 96 176.822 213.136 125.555 1.00 94.76 O +ATOM 759 CB LEU D 96 175.524 210.658 125.040 1.00 94.76 C +ATOM 760 CG LEU D 96 174.157 210.081 125.387 1.00 94.76 C +ATOM 761 CD1 LEU D 96 173.527 209.269 124.268 1.00 94.76 C +ATOM 762 CD2 LEU D 96 174.283 209.257 126.636 1.00 94.76 C +ATOM 763 N SER D 97 177.080 213.452 123.374 1.00 99.85 N +ATOM 764 CA SER D 97 177.855 214.661 123.584 1.00 99.85 C +ATOM 765 C SER D 97 176.958 215.879 123.705 1.00 99.85 C +ATOM 766 O SER D 97 176.951 216.528 124.751 1.00 99.85 O +ATOM 767 CB SER D 97 178.836 214.856 122.434 1.00 99.85 C +ATOM 768 OG SER D 97 178.138 215.119 121.230 1.00 99.85 O +ATOM 769 N VAL D 98 176.196 216.190 122.675 1.00103.01 N +ATOM 770 CA VAL D 98 175.140 217.186 122.771 1.00103.01 C +ATOM 771 C VAL D 98 173.810 216.479 122.999 1.00103.01 C +ATOM 772 O VAL D 98 173.394 215.605 122.227 1.00103.01 O +ATOM 773 CB VAL D 98 175.131 218.108 121.533 1.00103.01 C +ATOM 774 CG1 VAL D 98 175.155 217.325 120.216 1.00103.01 C +ATOM 775 CG2 VAL D 98 173.933 219.039 121.587 1.00103.01 C +ATOM 776 N TYR D 99 173.169 216.821 124.116 1.00104.45 N +ATOM 777 CA TYR D 99 171.966 216.146 124.585 1.00104.45 C +ATOM 778 C TYR D 99 171.324 217.068 125.616 1.00104.45 C +ATOM 779 O TYR D 99 171.607 218.270 125.631 1.00104.45 O +ATOM 780 CB TYR D 99 172.310 214.750 125.145 1.00104.45 C +ATOM 781 CG TYR D 99 171.142 213.784 125.310 1.00104.45 C +ATOM 782 CD1 TYR D 99 170.480 213.270 124.206 1.00104.45 C +ATOM 783 CD2 TYR D 99 170.729 213.366 126.571 1.00104.45 C +ATOM 784 CE1 TYR D 99 169.420 212.390 124.354 1.00104.45 C +ATOM 785 CE2 TYR D 99 169.675 212.494 126.726 1.00104.45 C +ATOM 786 CZ TYR D 99 169.028 212.007 125.617 1.00104.45 C +ATOM 787 OH TYR D 99 167.984 211.133 125.780 1.00104.45 O +ATOM 788 N LYS D 100 170.426 216.523 126.429 1.00115.25 N +ATOM 789 CA LYS D 100 169.711 217.090 127.566 1.00115.25 C +ATOM 790 C LYS D 100 168.829 218.279 127.186 1.00115.25 C +ATOM 791 O LYS D 100 168.869 219.304 127.879 1.00115.25 O +ATOM 792 CB LYS D 100 170.740 217.494 128.626 1.00115.25 C +ATOM 793 CG LYS D 100 171.629 216.329 129.051 1.00115.25 C +ATOM 794 CD LYS D 100 172.647 216.710 130.107 1.00115.25 C +ATOM 795 CE LYS D 100 173.821 217.446 129.485 1.00115.25 C +ATOM 796 NZ LYS D 100 174.909 217.669 130.477 1.00115.25 N +ATOM 797 N PRO D 101 167.997 218.198 126.113 1.00126.48 N +ATOM 798 CA PRO D 101 167.438 219.441 125.565 1.00126.48 C +ATOM 799 C PRO D 101 166.261 220.034 126.335 1.00126.48 C +ATOM 800 O PRO D 101 166.238 221.249 126.553 1.00126.48 O +ATOM 801 CB PRO D 101 167.033 219.030 124.143 1.00126.48 C +ATOM 802 CG PRO D 101 166.647 217.600 124.267 1.00126.48 C +ATOM 803 CD PRO D 101 167.471 217.016 125.388 1.00126.48 C +ATOM 804 N LYS D 102 165.307 219.200 126.765 1.00135.60 N +ATOM 805 CA LYS D 102 163.930 219.627 126.999 1.00135.60 C +ATOM 806 C LYS D 102 163.739 220.632 128.121 1.00135.60 C +ATOM 807 O LYS D 102 163.442 221.801 127.863 1.00135.60 O +ATOM 808 CB LYS D 102 163.040 218.416 127.288 1.00135.60 C +ATOM 809 CG LYS D 102 162.839 217.503 126.107 1.00135.60 C +ATOM 810 CD LYS D 102 162.127 218.243 125.001 1.00135.60 C +ATOM 811 CE LYS D 102 160.690 218.532 125.380 1.00135.60 C +ATOM 812 NZ LYS D 102 159.979 219.225 124.270 1.00135.60 N +ATOM 813 N ASP D 103 163.955 220.206 129.357 1.00145.45 N +ATOM 814 CA ASP D 103 163.484 220.970 130.496 1.00145.45 C +ATOM 815 C ASP D 103 164.432 220.767 131.668 1.00145.45 C +ATOM 816 O ASP D 103 165.566 220.304 131.517 1.00145.45 O +ATOM 817 CB ASP D 103 162.059 220.557 130.896 1.00145.45 C +ATOM 818 CG ASP D 103 160.994 221.109 129.975 1.00145.45 C +ATOM 819 OD1 ASP D 103 161.157 222.234 129.465 1.00145.45 O +ATOM 820 OD2 ASP D 103 159.981 220.411 129.766 1.00145.45 O +ATOM 821 N ILE D 104 163.928 221.122 132.841 1.00152.53 N +ATOM 822 CA ILE D 104 164.552 220.979 134.144 1.00152.53 C +ATOM 823 C ILE D 104 163.625 219.999 134.859 1.00152.53 C +ATOM 824 O ILE D 104 163.176 220.259 135.975 1.00152.53 O +ATOM 825 CB ILE D 104 164.693 222.337 134.860 1.00152.53 C +ATOM 826 CG1 ILE D 104 165.307 223.360 133.910 1.00152.53 C +ATOM 827 CG2 ILE D 104 165.641 222.258 136.052 1.00152.53 C +ATOM 828 CD1 ILE D 104 165.231 224.785 134.411 1.00152.53 C +ATOM 829 N VAL D 105 163.250 218.929 134.142 1.00153.83 N +ATOM 830 CA VAL D 105 162.064 218.073 134.284 1.00153.83 C +ATOM 831 C VAL D 105 161.620 217.764 135.717 1.00153.83 C +ATOM 832 O VAL D 105 160.422 217.845 136.022 1.00153.83 O +ATOM 833 CB VAL D 105 162.317 216.766 133.505 1.00153.83 C +ATOM 834 CG1 VAL D 105 161.125 215.830 133.582 1.00153.83 C +ATOM 835 CG2 VAL D 105 162.668 217.072 132.058 1.00153.83 C +ATOM 836 N ASP D 106 162.579 217.439 136.612 1.00156.83 N +ATOM 837 CA ASP D 106 162.386 217.365 138.068 1.00156.83 C +ATOM 838 C ASP D 106 161.321 216.389 138.560 1.00156.83 C +ATOM 839 O ASP D 106 160.207 216.815 138.894 1.00156.83 O +ATOM 840 CB ASP D 106 162.065 218.741 138.653 1.00156.83 C +ATOM 841 CG ASP D 106 163.298 219.569 138.902 1.00156.83 C +ATOM 842 OD1 ASP D 106 164.366 218.979 139.150 1.00156.83 O +ATOM 843 OD2 ASP D 106 163.198 220.812 138.857 1.00156.83 O +ATOM 844 N PRO D 107 161.599 215.087 138.580 1.00153.34 N +ATOM 845 CA PRO D 107 160.685 214.149 139.252 1.00153.34 C +ATOM 846 C PRO D 107 160.609 214.414 140.750 1.00153.34 C +ATOM 847 O PRO D 107 161.630 214.591 141.421 1.00153.34 O +ATOM 848 CB PRO D 107 161.303 212.780 138.951 1.00153.34 C +ATOM 849 CG PRO D 107 162.749 213.064 138.750 1.00153.34 C +ATOM 850 CD PRO D 107 162.822 214.420 138.103 1.00153.34 C +ATOM 851 N ALA D 108 159.371 214.490 141.251 1.00160.24 N +ATOM 852 CA ALA D 108 159.006 214.599 142.669 1.00160.24 C +ATOM 853 C ALA D 108 159.495 215.884 143.334 1.00160.24 C +ATOM 854 O ALA D 108 159.531 215.961 144.565 1.00160.24 O +ATOM 855 CB ALA D 108 159.478 213.382 143.478 1.00160.24 C +ATOM 856 N THR D 109 159.882 216.916 142.559 1.00164.31 N +ATOM 857 CA THR D 109 159.955 218.199 143.245 1.00164.31 C +ATOM 858 C THR D 109 158.873 219.114 142.698 1.00164.31 C +ATOM 859 O THR D 109 158.664 219.162 141.481 1.00164.31 O +ATOM 860 CB THR D 109 161.308 218.909 143.108 1.00164.31 C +ATOM 861 OG1 THR D 109 161.498 219.324 141.756 1.00164.31 O +ATOM 862 CG2 THR D 109 162.443 217.996 143.524 1.00164.31 C +ATOM 863 N PRO D 110 158.166 219.828 143.566 1.00168.30 N +ATOM 864 CA PRO D 110 157.016 220.610 143.113 1.00168.30 C +ATOM 865 C PRO D 110 157.420 221.851 142.333 1.00168.30 C +ATOM 866 O PRO D 110 158.327 222.599 142.704 1.00168.30 O +ATOM 867 CB PRO D 110 156.315 220.991 144.419 1.00168.30 C +ATOM 868 CG PRO D 110 156.792 220.006 145.416 1.00168.30 C +ATOM 869 CD PRO D 110 158.199 219.712 145.033 1.00168.30 C +ATOM 870 N TYR D 111 156.714 222.054 141.224 1.00169.37 N +ATOM 871 CA TYR D 111 156.709 223.284 140.460 1.00169.37 C +ATOM 872 C TYR D 111 155.570 224.166 140.948 1.00169.37 C +ATOM 873 O TYR D 111 154.533 223.656 141.379 1.00169.37 O +ATOM 874 CB TYR D 111 156.522 223.020 138.963 1.00169.37 C +ATOM 875 CG TYR D 111 157.714 222.436 138.257 1.00169.37 C +ATOM 876 CD1 TYR D 111 158.981 222.490 138.819 1.00169.37 C +ATOM 877 CD2 TYR D 111 157.566 221.831 137.018 1.00169.37 C +ATOM 878 CE1 TYR D 111 160.070 221.958 138.160 1.00169.37 C +ATOM 879 CE2 TYR D 111 158.642 221.296 136.356 1.00169.37 C +ATOM 880 CZ TYR D 111 159.890 221.360 136.930 1.00169.37 C +ATOM 881 OH TYR D 111 160.958 220.821 136.258 1.00169.37 O +ATOM 882 N PRO D 112 155.732 225.485 140.912 1.00176.13 N +ATOM 883 CA PRO D 112 154.617 226.361 141.279 1.00176.13 C +ATOM 884 C PRO D 112 153.534 226.377 140.211 1.00176.13 C +ATOM 885 O PRO D 112 153.794 226.196 139.019 1.00176.13 O +ATOM 886 CB PRO D 112 155.277 227.733 141.437 1.00176.13 C +ATOM 887 CG PRO D 112 156.505 227.659 140.604 1.00176.13 C +ATOM 888 CD PRO D 112 156.977 226.238 140.688 1.00176.13 C +ATOM 889 N GLY D 113 152.304 226.600 140.663 1.00176.89 N +ATOM 890 CA GLY D 113 151.128 226.475 139.822 1.00176.89 C +ATOM 891 C GLY D 113 150.592 225.063 139.775 1.00176.89 C +ATOM 892 O GLY D 113 149.966 224.675 138.781 1.00176.89 O +ATOM 893 N ASP D 114 150.811 224.287 140.836 1.00177.00 N +ATOM 894 CA ASP D 114 150.483 222.869 140.875 1.00177.00 C +ATOM 895 C ASP D 114 149.708 222.562 142.153 1.00177.00 C +ATOM 896 O ASP D 114 149.306 223.463 142.895 1.00177.00 O +ATOM 897 CB ASP D 114 151.749 222.007 140.791 1.00177.00 C +ATOM 898 CG ASP D 114 152.465 222.138 139.454 1.00177.00 C +ATOM 899 OD1 ASP D 114 151.798 222.410 138.434 1.00177.00 O +ATOM 900 OD2 ASP D 114 153.699 221.962 139.423 1.00177.00 O +ATOM 901 N LYS D 115 149.508 221.272 142.413 1.00172.06 N +ATOM 902 CA LYS D 115 148.739 220.805 143.557 1.00172.06 C +ATOM 903 C LYS D 115 149.581 219.865 144.410 1.00172.06 C +ATOM 904 O LYS D 115 150.226 218.951 143.888 1.00172.06 O +ATOM 905 CB LYS D 115 147.470 220.091 143.097 1.00172.06 C +ATOM 906 CG LYS D 115 146.500 220.981 142.350 1.00172.06 C +ATOM 907 CD LYS D 115 145.221 220.244 142.012 1.00172.06 C +ATOM 908 CE LYS D 115 144.261 221.139 141.253 1.00172.06 C +ATOM 909 NZ LYS D 115 143.004 220.423 140.912 1.00172.06 N +ATOM 910 N VAL D 116 149.566 220.087 145.726 1.00175.25 N +ATOM 911 CA VAL D 116 150.420 219.347 146.655 1.00175.25 C +ATOM 912 C VAL D 116 149.608 218.759 147.801 1.00175.25 C +ATOM 913 O VAL D 116 148.374 218.769 147.777 1.00175.25 O +ATOM 914 CB VAL D 116 151.554 220.227 147.212 1.00175.25 C +ATOM 915 CG1 VAL D 116 152.536 220.594 146.123 1.00175.25 C +ATOM 916 CG2 VAL D 116 150.990 221.474 147.850 1.00175.25 C +ATOM 917 N ILE D 117 150.308 218.206 148.793 1.00173.51 N +ATOM 918 CA ILE D 117 149.726 217.659 150.010 1.00173.51 C +ATOM 919 C ILE D 117 150.667 218.060 151.144 1.00173.51 C +ATOM 920 O ILE D 117 151.820 218.431 150.920 1.00173.51 O +ATOM 921 CB ILE D 117 149.547 216.118 149.913 1.00173.51 C +ATOM 922 CG1 ILE D 117 148.538 215.574 150.934 1.00173.51 C +ATOM 923 CG2 ILE D 117 150.884 215.391 150.041 1.00173.51 C +ATOM 924 CD1 ILE D 117 147.122 216.008 150.686 1.00173.51 C +ATOM 925 N ILE D 118 150.161 218.019 152.371 1.00179.73 N +ATOM 926 CA ILE D 118 150.920 218.432 153.544 1.00179.73 C +ATOM 927 C ILE D 118 151.254 217.192 154.363 1.00179.73 C +ATOM 928 O ILE D 118 150.401 216.314 154.545 1.00179.73 O +ATOM 929 CB ILE D 118 150.134 219.475 154.356 1.00179.73 C +ATOM 930 CG1 ILE D 118 149.926 220.725 153.498 1.00179.73 C +ATOM 931 CG2 ILE D 118 150.853 219.863 155.636 1.00179.73 C +ATOM 932 CD1 ILE D 118 148.950 221.709 154.069 1.00179.73 C +ATOM 933 N THR D 119 152.505 217.108 154.840 1.00181.31 N +ATOM 934 CA THR D 119 153.038 215.896 155.450 1.00181.31 C +ATOM 935 C THR D 119 153.208 215.956 156.962 1.00181.31 C +ATOM 936 O THR D 119 153.350 214.901 157.584 1.00181.31 O +ATOM 937 CB THR D 119 154.402 215.548 154.835 1.00181.31 C +ATOM 938 OG1 THR D 119 155.330 216.610 155.100 1.00181.31 O +ATOM 939 CG2 THR D 119 154.273 215.346 153.330 1.00181.31 C +ATOM 940 N GLU D 120 153.231 217.142 157.565 1.00180.63 N +ATOM 941 CA GLU D 120 153.365 217.277 159.010 1.00180.63 C +ATOM 942 C GLU D 120 152.447 218.379 159.516 1.00180.63 C +ATOM 943 O GLU D 120 151.682 218.981 158.759 1.00180.63 O +ATOM 944 CB GLU D 120 154.806 217.606 159.439 1.00180.63 C +ATOM 945 CG GLU D 120 155.824 216.495 159.271 1.00180.63 C +ATOM 946 CD GLU D 120 157.218 216.930 159.690 1.00180.63 C +ATOM 947 OE1 GLU D 120 157.408 218.132 159.977 1.00180.63 O +ATOM 948 OE2 GLU D 120 158.124 216.072 159.735 1.00180.63 O +ATOM 949 N GLY D 121 152.536 218.634 160.816 1.00180.69 N +ATOM 950 CA GLY D 121 151.906 219.796 161.397 1.00180.69 C +ATOM 951 C GLY D 121 150.404 219.666 161.559 1.00180.69 C +ATOM 952 O GLY D 121 149.793 218.620 161.322 1.00180.69 O +ATOM 953 N ALA D 122 149.802 220.785 161.967 1.00182.26 N +ATOM 954 CA ALA D 122 148.367 220.860 162.211 1.00182.26 C +ATOM 955 C ALA D 122 147.553 221.036 160.937 1.00182.26 C +ATOM 956 O ALA D 122 146.330 221.189 161.020 1.00182.26 O +ATOM 957 CB ALA D 122 148.060 222.003 163.181 1.00182.26 C +ATOM 958 N PHE D 123 148.192 221.031 159.772 1.00179.56 N +ATOM 959 CA PHE D 123 147.493 221.023 158.500 1.00179.56 C +ATOM 960 C PHE D 123 147.793 219.779 157.684 1.00179.56 C +ATOM 961 O PHE D 123 147.601 219.794 156.466 1.00179.56 O +ATOM 962 CB PHE D 123 147.851 222.264 157.689 1.00179.56 C +ATOM 963 CG PHE D 123 147.421 223.546 158.329 1.00179.56 C +ATOM 964 CD1 PHE D 123 146.091 223.936 158.302 1.00179.56 C +ATOM 965 CD2 PHE D 123 148.353 224.383 158.924 1.00179.56 C +ATOM 966 CE1 PHE D 123 145.691 225.123 158.885 1.00179.56 C +ATOM 967 CE2 PHE D 123 147.962 225.573 159.505 1.00179.56 C +ATOM 968 CZ PHE D 123 146.628 225.944 159.485 1.00179.56 C +ATOM 969 N GLU D 124 148.255 218.712 158.331 1.00179.02 N +ATOM 970 CA GLU D 124 148.657 217.499 157.633 1.00179.02 C +ATOM 971 C GLU D 124 147.451 216.799 157.022 1.00179.02 C +ATOM 972 O GLU D 124 146.508 216.434 157.728 1.00179.02 O +ATOM 973 CB GLU D 124 149.373 216.560 158.597 1.00179.02 C +ATOM 974 CG GLU D 124 149.882 215.289 157.956 1.00179.02 C +ATOM 975 CD GLU D 124 150.612 214.398 158.938 1.00179.02 C +ATOM 976 OE1 GLU D 124 150.689 214.754 160.132 1.00179.02 O +ATOM 977 OE2 GLU D 124 151.120 213.341 158.514 1.00179.02 O +ATOM 978 N GLY D 125 147.490 216.605 155.707 1.00179.30 N +ATOM 979 CA GLY D 125 146.379 216.033 154.977 1.00179.30 C +ATOM 980 C GLY D 125 145.554 217.026 154.193 1.00179.30 C +ATOM 981 O GLY D 125 144.392 216.733 153.886 1.00179.30 O +ATOM 982 N PHE D 126 146.116 218.183 153.858 1.00181.20 N +ATOM 983 CA PHE D 126 145.393 219.268 153.211 1.00181.20 C +ATOM 984 C PHE D 126 146.027 219.562 151.860 1.00181.20 C +ATOM 985 O PHE D 126 147.213 219.896 151.787 1.00181.20 O +ATOM 986 CB PHE D 126 145.398 220.511 154.098 1.00181.20 C +ATOM 987 CG PHE D 126 144.470 220.423 155.274 1.00181.20 C +ATOM 988 CD1 PHE D 126 143.429 219.507 155.293 1.00181.20 C +ATOM 989 CD2 PHE D 126 144.638 221.258 156.362 1.00181.20 C +ATOM 990 CE1 PHE D 126 142.570 219.432 156.375 1.00181.20 C +ATOM 991 CE2 PHE D 126 143.791 221.183 157.452 1.00181.20 C +ATOM 992 CZ PHE D 126 142.755 220.272 157.456 1.00181.20 C +ATOM 993 N GLN D 127 145.238 219.434 150.798 1.00181.09 N +ATOM 994 CA GLN D 127 145.711 219.724 149.454 1.00181.09 C +ATOM 995 C GLN D 127 145.855 221.227 149.257 1.00181.09 C +ATOM 996 O GLN D 127 145.050 222.019 149.754 1.00181.09 O +ATOM 997 CB GLN D 127 144.749 219.150 148.417 1.00181.09 C +ATOM 998 CG GLN D 127 144.658 217.637 148.426 1.00181.09 C +ATOM 999 CD GLN D 127 143.617 217.113 147.462 1.00181.09 C +ATOM 1000 OE1 GLN D 127 142.903 217.886 146.825 1.00181.09 O +ATOM 1001 NE2 GLN D 127 143.524 215.795 147.349 1.00181.09 N +ATOM 1002 N ALA D 128 146.883 221.624 148.513 1.00181.32 N +ATOM 1003 CA ALA D 128 147.210 223.039 148.446 1.00181.32 C +ATOM 1004 C ALA D 128 147.667 223.423 147.047 1.00181.32 C +ATOM 1005 O ALA D 128 148.252 222.623 146.311 1.00181.32 O +ATOM 1006 CB ALA D 128 148.281 223.405 149.479 1.00181.32 C +ATOM 1007 N ILE D 129 147.402 224.680 146.708 1.00184.80 N +ATOM 1008 CA ILE D 129 147.736 225.273 145.419 1.00184.80 C +ATOM 1009 C ILE D 129 148.945 226.174 145.621 1.00184.80 C +ATOM 1010 O ILE D 129 149.002 226.924 146.598 1.00184.80 O +ATOM 1011 CB ILE D 129 146.548 226.093 144.862 1.00184.80 C +ATOM 1012 CG1 ILE D 129 145.271 225.256 144.796 1.00184.80 C +ATOM 1013 CG2 ILE D 129 146.859 226.651 143.476 1.00184.80 C +ATOM 1014 CD1 ILE D 129 145.324 224.138 143.805 1.00184.80 C +ATOM 1015 N PHE D 130 149.913 226.118 144.716 1.00181.42 N +ATOM 1016 CA PHE D 130 150.948 227.143 144.755 1.00181.42 C +ATOM 1017 C PHE D 130 150.408 228.449 144.208 1.00181.42 C +ATOM 1018 O PHE D 130 150.025 228.531 143.037 1.00181.42 O +ATOM 1019 CB PHE D 130 152.180 226.747 143.962 1.00181.42 C +ATOM 1020 CG PHE D 130 153.059 225.777 144.650 1.00181.42 C +ATOM 1021 CD1 PHE D 130 153.852 226.181 145.713 1.00181.42 C +ATOM 1022 CD2 PHE D 130 153.141 224.477 144.203 1.00181.42 C +ATOM 1023 CE1 PHE D 130 154.677 225.289 146.342 1.00181.42 C +ATOM 1024 CE2 PHE D 130 153.961 223.587 144.819 1.00181.42 C +ATOM 1025 CZ PHE D 130 154.733 223.985 145.892 1.00181.42 C +ATOM 1026 N THR D 131 150.382 229.473 145.052 1.00188.58 N +ATOM 1027 CA THR D 131 150.238 230.820 144.529 1.00188.58 C +ATOM 1028 C THR D 131 151.590 231.358 144.083 1.00188.58 C +ATOM 1029 O THR D 131 151.814 231.594 142.891 1.00188.58 O +ATOM 1030 CB THR D 131 149.614 231.732 145.584 1.00188.58 C +ATOM 1031 OG1 THR D 131 150.478 231.802 146.725 1.00188.58 O +ATOM 1032 CG2 THR D 131 148.264 231.185 146.005 1.00188.58 C +ATOM 1033 N GLU D 132 152.513 231.524 145.029 1.00186.63 N +ATOM 1034 CA GLU D 132 153.815 232.101 144.734 1.00186.63 C +ATOM 1035 C GLU D 132 154.835 231.720 145.801 1.00186.63 C +ATOM 1036 O GLU D 132 154.798 232.281 146.901 1.00186.63 O +ATOM 1037 CB GLU D 132 153.712 233.624 144.629 1.00186.63 C +ATOM 1038 CG GLU D 132 154.996 234.314 144.203 1.00186.63 C +ATOM 1039 CD GLU D 132 155.359 234.034 142.759 1.00186.63 C +ATOM 1040 OE1 GLU D 132 154.444 233.813 141.939 1.00186.63 O +ATOM 1041 OE2 GLU D 132 156.566 234.028 142.445 1.00186.63 O +ATOM 1042 N PRO D 133 155.738 230.777 145.534 1.00186.47 N +ATOM 1043 CA PRO D 133 156.855 230.544 146.461 1.00186.47 C +ATOM 1044 C PRO D 133 157.781 231.751 146.518 1.00186.47 C +ATOM 1045 O PRO D 133 157.889 232.513 145.554 1.00186.47 O +ATOM 1046 CB PRO D 133 157.558 229.322 145.864 1.00186.47 C +ATOM 1047 CG PRO D 133 157.230 229.387 144.413 1.00186.47 C +ATOM 1048 CD PRO D 133 155.837 229.944 144.327 1.00186.47 C +ATOM 1049 N ASP D 134 158.459 231.921 147.662 1.00189.49 N +ATOM 1050 CA ASP D 134 159.184 233.169 147.908 1.00189.49 C +ATOM 1051 C ASP D 134 160.460 233.281 147.077 1.00189.49 C +ATOM 1052 O ASP D 134 160.993 234.383 146.903 1.00189.49 O +ATOM 1053 CB ASP D 134 159.503 233.329 149.404 1.00189.49 C +ATOM 1054 CG ASP D 134 160.446 232.251 149.955 1.00189.49 C +ATOM 1055 OD1 ASP D 134 160.754 231.257 149.269 1.00189.49 O +ATOM 1056 OD2 ASP D 134 160.910 232.425 151.101 1.00189.49 O +ATOM 1057 N GLY D 135 160.967 232.160 146.576 1.00187.24 N +ATOM 1058 CA GLY D 135 162.203 232.147 145.823 1.00187.24 C +ATOM 1059 C GLY D 135 162.724 230.735 145.686 1.00187.24 C +ATOM 1060 O GLY D 135 161.987 229.827 145.289 1.00187.24 O +ATOM 1061 N GLU D 136 163.997 230.538 146.012 1.00180.72 N +ATOM 1062 CA GLU D 136 164.585 229.211 146.068 1.00180.72 C +ATOM 1063 C GLU D 136 164.826 228.743 147.500 1.00180.72 C +ATOM 1064 O GLU D 136 165.624 227.826 147.713 1.00180.72 O +ATOM 1065 CB GLU D 136 165.892 229.185 145.271 1.00180.72 C +ATOM 1066 CG GLU D 136 165.712 229.470 143.785 1.00180.72 C +ATOM 1067 CD GLU D 136 164.919 228.393 143.060 1.00180.72 C +ATOM 1068 OE1 GLU D 136 165.036 227.207 143.428 1.00180.72 O +ATOM 1069 OE2 GLU D 136 164.171 228.734 142.119 1.00180.72 O +ATOM 1070 N ALA D 137 164.156 229.353 148.479 1.00184.06 N +ATOM 1071 CA ALA D 137 164.348 229.042 149.892 1.00184.06 C +ATOM 1072 C ALA D 137 163.139 228.365 150.529 1.00184.06 C +ATOM 1073 O ALA D 137 163.289 227.340 151.199 1.00184.06 O +ATOM 1074 CB ALA D 137 164.691 230.322 150.663 1.00184.06 C +ATOM 1075 N ARG D 138 161.942 228.930 150.358 1.00186.94 N +ATOM 1076 CA ARG D 138 160.719 228.383 150.943 1.00186.94 C +ATOM 1077 C ARG D 138 159.586 228.421 149.925 1.00186.94 C +ATOM 1078 O ARG D 138 159.835 228.601 148.728 1.00186.94 O +ATOM 1079 CB ARG D 138 160.313 229.155 152.199 1.00186.94 C +ATOM 1080 CG ARG D 138 161.226 228.977 153.396 1.00186.94 C +ATOM 1081 CD ARG D 138 160.735 229.819 154.562 1.00186.94 C +ATOM 1082 NE ARG D 138 161.599 229.702 155.731 1.00186.94 N +ATOM 1083 CZ ARG D 138 162.637 230.496 155.972 1.00186.94 C +ATOM 1084 NH1 ARG D 138 162.940 231.467 155.121 1.00186.94 N +ATOM 1085 NH2 ARG D 138 163.374 230.320 157.060 1.00186.94 N +ATOM 1086 N SER D 139 158.344 228.238 150.374 1.00187.49 N +ATOM 1087 CA SER D 139 157.209 228.351 149.470 1.00187.49 C +ATOM 1088 C SER D 139 156.016 228.928 150.215 1.00187.49 C +ATOM 1089 O SER D 139 155.994 228.986 151.445 1.00187.49 O +ATOM 1090 CB SER D 139 156.838 227.003 148.847 1.00187.49 C +ATOM 1091 OG SER D 139 157.868 226.539 147.999 1.00187.49 O +ATOM 1092 N MET D 140 155.028 229.373 149.443 1.00187.23 N +ATOM 1093 CA MET D 140 153.772 229.877 149.976 1.00187.23 C +ATOM 1094 C MET D 140 152.628 229.137 149.300 1.00187.23 C +ATOM 1095 O MET D 140 152.624 228.948 148.080 1.00187.23 O +ATOM 1096 CB MET D 140 153.635 231.382 149.763 1.00187.23 C +ATOM 1097 CG MET D 140 154.723 232.202 150.435 1.00187.23 C +ATOM 1098 SD MET D 140 154.596 233.968 150.103 1.00187.23 S +ATOM 1099 CE MET D 140 153.163 234.389 151.087 1.00187.23 C +ATOM 1100 N LEU D 141 151.667 228.712 150.107 1.00185.36 N +ATOM 1101 CA LEU D 141 150.685 227.724 149.705 1.00185.36 C +ATOM 1102 C LEU D 141 149.287 228.219 150.044 1.00185.36 C +ATOM 1103 O LEU D 141 149.063 228.862 151.075 1.00185.36 O +ATOM 1104 CB LEU D 141 150.938 226.370 150.395 1.00185.36 C +ATOM 1105 CG LEU D 141 152.066 225.438 149.932 1.00185.36 C +ATOM 1106 CD1 LEU D 141 153.456 225.906 150.358 1.00185.36 C +ATOM 1107 CD2 LEU D 141 151.818 224.040 150.456 1.00185.36 C +ATOM 1108 N LEU D 142 148.354 227.906 149.150 1.00186.45 N +ATOM 1109 CA LEU D 142 146.920 228.101 149.313 1.00186.45 C +ATOM 1110 C LEU D 142 146.372 226.777 149.829 1.00186.45 C +ATOM 1111 O LEU D 142 146.127 225.845 149.061 1.00186.45 O +ATOM 1112 CB LEU D 142 146.268 228.510 147.994 1.00186.45 C +ATOM 1113 CG LEU D 142 144.745 228.655 147.943 1.00186.45 C +ATOM 1114 CD1 LEU D 142 144.242 229.746 148.870 1.00186.45 C +ATOM 1115 CD2 LEU D 142 144.296 228.905 146.513 1.00186.45 C +ATOM 1116 N LEU D 143 146.205 226.708 151.142 1.00188.16 N +ATOM 1117 CA LEU D 143 145.754 225.513 151.832 1.00188.16 C +ATOM 1118 C LEU D 143 144.236 225.464 151.830 1.00188.16 C +ATOM 1119 O LEU D 143 143.576 226.500 151.944 1.00188.16 O +ATOM 1120 CB LEU D 143 146.243 225.531 153.279 1.00188.16 C +ATOM 1121 CG LEU D 143 147.682 225.254 153.705 1.00188.16 C +ATOM 1122 CD1 LEU D 143 148.661 226.363 153.330 1.00188.16 C +ATOM 1123 CD2 LEU D 143 147.664 225.086 155.202 1.00188.16 C +ATOM 1124 N ASN D 144 143.680 224.259 151.736 1.00188.38 N +ATOM 1125 CA ASN D 144 142.236 224.110 151.830 1.00188.38 C +ATOM 1126 C ASN D 144 141.808 223.823 153.264 1.00188.38 C +ATOM 1127 O ASN D 144 142.596 223.365 154.095 1.00188.38 O +ATOM 1128 CB ASN D 144 141.695 223.024 150.880 1.00188.38 C +ATOM 1129 CG ASN D 144 142.278 221.630 151.129 1.00188.38 C +ATOM 1130 OD1 ASN D 144 143.112 221.421 152.001 1.00188.38 O +ATOM 1131 ND2 ASN D 144 141.806 220.661 150.354 1.00188.38 N +ATOM 1132 N LEU D 145 140.550 224.138 153.546 1.00194.19 N +ATOM 1133 CA LEU D 145 139.869 223.711 154.754 1.00194.19 C +ATOM 1134 C LEU D 145 138.469 223.283 154.353 1.00194.19 C +ATOM 1135 O LEU D 145 138.100 223.326 153.177 1.00194.19 O +ATOM 1136 CB LEU D 145 139.817 224.818 155.818 1.00194.19 C +ATOM 1137 CG LEU D 145 141.092 225.264 156.541 1.00194.19 C +ATOM 1138 CD1 LEU D 145 140.803 226.475 157.410 1.00194.19 C +ATOM 1139 CD2 LEU D 145 141.659 224.141 157.390 1.00194.19 C +ATOM 1140 N ILE D 146 137.679 222.863 155.343 1.00194.41 N +ATOM 1141 CA ILE D 146 136.297 222.478 155.065 1.00194.41 C +ATOM 1142 C ILE D 146 135.350 223.669 155.026 1.00194.41 C +ATOM 1143 O ILE D 146 134.182 223.504 154.651 1.00194.41 O +ATOM 1144 CB ILE D 146 135.832 221.423 156.088 1.00194.41 C +ATOM 1145 CG1 ILE D 146 135.934 221.962 157.516 1.00194.41 C +ATOM 1146 CG2 ILE D 146 136.652 220.155 155.944 1.00194.41 C +ATOM 1147 CD1 ILE D 146 135.300 221.055 158.552 1.00194.41 C +ATOM 1148 N ASN D 147 135.816 224.863 155.406 1.00195.20 N +ATOM 1149 CA ASN D 147 135.050 226.096 155.255 1.00195.20 C +ATOM 1150 C ASN D 147 135.709 227.077 154.294 1.00195.20 C +ATOM 1151 O ASN D 147 135.096 227.475 153.300 1.00195.20 O +ATOM 1152 CB ASN D 147 134.837 226.776 156.618 1.00195.20 C +ATOM 1153 CG ASN D 147 133.755 226.117 157.444 1.00195.20 C +ATOM 1154 OD1 ASN D 147 132.699 225.760 156.928 1.00195.20 O +ATOM 1155 ND2 ASN D 147 134.004 225.970 158.737 1.00195.20 N +ATOM 1156 N LYS D 148 136.951 227.475 154.558 1.00193.13 N +ATOM 1157 CA LYS D 148 137.567 228.567 153.818 1.00193.13 C +ATOM 1158 C LYS D 148 139.047 228.277 153.625 1.00193.13 C +ATOM 1159 O LYS D 148 139.729 227.856 154.562 1.00193.13 O +ATOM 1160 CB LYS D 148 137.382 229.905 154.551 1.00193.13 C +ATOM 1161 CG LYS D 148 137.912 231.121 153.792 1.00193.13 C +ATOM 1162 CD LYS D 148 137.641 232.425 154.531 1.00193.13 C +ATOM 1163 CE LYS D 148 138.576 232.581 155.715 1.00193.13 C +ATOM 1164 NZ LYS D 148 138.418 233.897 156.383 1.00193.13 N +ATOM 1165 N GLU D 149 139.536 228.508 152.408 1.00191.40 N +ATOM 1166 CA GLU D 149 140.950 228.316 152.122 1.00191.40 C +ATOM 1167 C GLU D 149 141.787 229.422 152.750 1.00191.40 C +ATOM 1168 O GLU D 149 141.363 230.578 152.830 1.00191.40 O +ATOM 1169 CB GLU D 149 141.190 228.265 150.612 1.00191.40 C +ATOM 1170 CG GLU D 149 140.717 226.973 149.955 1.00191.40 C +ATOM 1171 CD GLU D 149 141.023 226.922 148.470 1.00191.40 C +ATOM 1172 OE1 GLU D 149 141.454 227.955 147.917 1.00191.40 O +ATOM 1173 OE2 GLU D 149 140.842 225.848 147.859 1.00191.40 O +ATOM 1174 N ILE D 150 142.985 229.054 153.201 1.00191.41 N +ATOM 1175 CA ILE D 150 143.927 229.990 153.801 1.00191.41 C +ATOM 1176 C ILE D 150 145.219 229.950 152.998 1.00191.41 C +ATOM 1177 O ILE D 150 145.330 229.239 152.001 1.00191.41 O +ATOM 1178 CB ILE D 150 144.210 229.673 155.281 1.00191.41 C +ATOM 1179 CG1 ILE D 150 144.859 228.297 155.402 1.00191.41 C +ATOM 1180 CG2 ILE D 150 142.929 229.732 156.099 1.00191.41 C +ATOM 1181 CD1 ILE D 150 145.406 228.018 156.767 1.00191.41 C +ATOM 1182 N LYS D 151 146.201 230.737 153.435 1.00186.86 N +ATOM 1183 CA LYS D 151 147.520 230.757 152.815 1.00186.86 C +ATOM 1184 C LYS D 151 148.598 230.794 153.886 1.00186.86 C +ATOM 1185 O LYS D 151 148.361 231.244 155.012 1.00186.86 O +ATOM 1186 CB LYS D 151 147.692 231.954 151.869 1.00186.86 C +ATOM 1187 CG LYS D 151 146.851 231.869 150.614 1.00186.86 C +ATOM 1188 CD LYS D 151 147.016 233.084 149.740 1.00186.86 C +ATOM 1189 CE LYS D 151 146.183 232.928 148.487 1.00186.86 C +ATOM 1190 NZ LYS D 151 144.730 232.861 148.801 1.00186.86 N +ATOM 1191 N HIS D 152 149.790 230.321 153.521 1.00189.33 N +ATOM 1192 CA HIS D 152 150.869 230.213 154.497 1.00189.33 C +ATOM 1193 C HIS D 152 152.226 230.168 153.807 1.00189.33 C +ATOM 1194 O HIS D 152 152.365 229.609 152.720 1.00189.33 O +ATOM 1195 CB HIS D 152 150.695 228.971 155.374 1.00189.33 C +ATOM 1196 CG HIS D 152 151.638 228.921 156.529 1.00189.33 C +ATOM 1197 ND1 HIS D 152 152.898 228.376 156.434 1.00189.33 N +ATOM 1198 CD2 HIS D 152 151.516 229.372 157.799 1.00189.33 C +ATOM 1199 CE1 HIS D 152 153.508 228.477 157.601 1.00189.33 C +ATOM 1200 NE2 HIS D 152 152.691 229.079 158.446 1.00189.33 N +ATOM 1201 N SER D 153 153.231 230.743 154.469 1.00190.47 N +ATOM 1202 CA SER D 153 154.618 230.714 154.004 1.00190.47 C +ATOM 1203 C SER D 153 155.390 229.703 154.850 1.00190.47 C +ATOM 1204 O SER D 153 155.723 229.970 156.007 1.00190.47 O +ATOM 1205 CB SER D 153 155.241 232.102 154.091 1.00190.47 C +ATOM 1206 OG SER D 153 155.341 232.530 155.437 1.00190.47 O +ATOM 1207 N VAL D 154 155.698 228.550 154.258 1.00189.04 N +ATOM 1208 CA VAL D 154 156.269 227.416 154.975 1.00189.04 C +ATOM 1209 C VAL D 154 157.516 226.934 154.233 1.00189.04 C +ATOM 1210 O VAL D 154 157.677 227.183 153.031 1.00189.04 O +ATOM 1211 CB VAL D 154 155.212 226.293 155.126 1.00189.04 C +ATOM 1212 CG1 VAL D 154 154.935 225.591 153.797 1.00189.04 C +ATOM 1213 CG2 VAL D 154 155.548 225.313 156.251 1.00189.04 C +ATOM 1214 N LYS D 155 158.413 226.269 154.964 1.00185.64 N +ATOM 1215 CA LYS D 155 159.539 225.580 154.353 1.00185.64 C +ATOM 1216 C LYS D 155 159.071 224.346 153.589 1.00185.64 C +ATOM 1217 O LYS D 155 157.906 223.943 153.646 1.00185.64 O +ATOM 1218 CB LYS D 155 160.568 225.158 155.401 1.00185.64 C +ATOM 1219 CG LYS D 155 161.373 226.290 155.987 1.00185.64 C +ATOM 1220 CD LYS D 155 162.426 225.762 156.940 1.00185.64 C +ATOM 1221 CE LYS D 155 163.218 226.897 157.557 1.00185.64 C +ATOM 1222 NZ LYS D 155 164.238 226.401 158.518 1.00185.64 N +ATOM 1223 N ASN D 156 160.015 223.721 152.898 1.00183.07 N +ATOM 1224 CA ASN D 156 159.693 222.693 151.924 1.00183.07 C +ATOM 1225 C ASN D 156 159.775 221.279 152.489 1.00183.07 C +ATOM 1226 O ASN D 156 159.702 220.318 151.719 1.00183.07 O +ATOM 1227 CB ASN D 156 160.620 222.835 150.714 1.00183.07 C +ATOM 1228 CG ASN D 156 160.495 224.193 150.041 1.00183.07 C +ATOM 1229 OD1 ASN D 156 159.394 224.707 149.854 1.00183.07 O +ATOM 1230 ND2 ASN D 156 161.632 224.788 149.695 1.00183.07 N +ATOM 1231 N THR D 157 159.925 221.123 153.805 1.00182.00 N +ATOM 1232 CA THR D 157 159.898 219.796 154.412 1.00182.00 C +ATOM 1233 C THR D 157 158.513 219.388 154.886 1.00182.00 C +ATOM 1234 O THR D 157 158.197 218.193 154.891 1.00182.00 O +ATOM 1235 CB THR D 157 160.856 219.722 155.603 1.00182.00 C +ATOM 1236 OG1 THR D 157 160.483 220.699 156.583 1.00182.00 O +ATOM 1237 CG2 THR D 157 162.281 219.958 155.161 1.00182.00 C +ATOM 1238 N GLU D 158 157.677 220.347 155.279 1.00182.25 N +ATOM 1239 CA GLU D 158 156.386 220.032 155.876 1.00182.25 C +ATOM 1240 C GLU D 158 155.290 219.777 154.848 1.00182.25 C +ATOM 1241 O GLU D 158 154.138 219.566 155.239 1.00182.25 O +ATOM 1242 CB GLU D 158 155.958 221.160 156.816 1.00182.25 C +ATOM 1243 CG GLU D 158 156.914 221.370 157.978 1.00182.25 C +ATOM 1244 CD GLU D 158 156.431 222.435 158.942 1.00182.25 C +ATOM 1245 OE1 GLU D 158 155.368 223.033 158.678 1.00182.25 O +ATOM 1246 OE2 GLU D 158 157.119 222.683 159.955 1.00182.25 O +ATOM 1247 N PHE D 159 155.614 219.789 153.556 1.00180.78 N +ATOM 1248 CA PHE D 159 154.650 219.462 152.519 1.00180.78 C +ATOM 1249 C PHE D 159 155.398 218.809 151.368 1.00180.78 C +ATOM 1250 O PHE D 159 156.597 219.027 151.183 1.00180.78 O +ATOM 1251 CB PHE D 159 153.879 220.707 152.054 1.00180.78 C +ATOM 1252 CG PHE D 159 154.682 221.649 151.193 1.00180.78 C +ATOM 1253 CD1 PHE D 159 155.552 222.565 151.760 1.00180.78 C +ATOM 1254 CD2 PHE D 159 154.514 221.657 149.815 1.00180.78 C +ATOM 1255 CE1 PHE D 159 156.270 223.440 150.964 1.00180.78 C +ATOM 1256 CE2 PHE D 159 155.231 222.520 149.019 1.00180.78 C +ATOM 1257 CZ PHE D 159 156.107 223.418 149.592 1.00180.78 C +ATOM 1258 N ARG D 160 154.679 217.994 150.598 1.00174.46 N +ATOM 1259 CA ARG D 160 155.248 217.294 149.451 1.00174.46 C +ATOM 1260 C ARG D 160 154.219 217.267 148.331 1.00174.46 C +ATOM 1261 O ARG D 160 153.030 217.464 148.559 1.00174.46 O +ATOM 1262 CB ARG D 160 155.684 215.864 149.810 1.00174.46 C +ATOM 1263 CG ARG D 160 156.931 215.788 150.681 1.00174.46 C +ATOM 1264 CD ARG D 160 157.264 214.372 151.101 1.00174.46 C +ATOM 1265 NE ARG D 160 158.430 214.347 151.977 1.00174.46 N +ATOM 1266 CZ ARG D 160 158.898 213.253 152.567 1.00174.46 C +ATOM 1267 NH1 ARG D 160 158.295 212.089 152.376 1.00174.46 N +ATOM 1268 NH2 ARG D 160 159.967 213.325 153.350 1.00174.46 N +ATOM 1269 N LYS D 161 154.679 217.004 147.114 1.00171.15 N +ATOM 1270 CA LYS D 161 153.782 217.044 145.968 1.00171.15 C +ATOM 1271 C LYS D 161 152.903 215.795 145.935 1.00171.15 C +ATOM 1272 O LYS D 161 153.289 214.727 146.421 1.00171.15 O +ATOM 1273 CB LYS D 161 154.587 217.178 144.672 1.00171.15 C +ATOM 1274 CG LYS D 161 153.788 217.575 143.440 1.00171.15 C +ATOM 1275 CD LYS D 161 154.701 217.831 142.261 1.00171.15 C +ATOM 1276 CE LYS D 161 153.915 218.235 141.027 1.00171.15 C +ATOM 1277 NZ LYS D 161 154.817 218.498 139.870 1.00171.15 N +ATOM 1278 N LEU D 162 151.695 215.953 145.393 1.00170.68 N +ATOM 1279 CA LEU D 162 150.754 214.853 145.189 1.00170.68 C +ATOM 1280 C LEU D 162 151.302 213.764 144.273 1.00170.68 C +ATOM 1281 O LEU D 162 152.180 214.011 143.447 1.00170.68 O +ATOM 1282 CB LEU D 162 149.441 215.373 144.600 1.00170.68 C +ATOM 1283 CG LEU D 162 148.513 216.237 145.448 1.00170.68 C +ATOM 1284 CD1 LEU D 162 147.372 216.726 144.593 1.00170.68 C +ATOM 1285 CD2 LEU D 162 147.974 215.437 146.604 1.00170.68 C +ATOM 1286 OXT LEU D 162 150.868 212.613 144.332 1.00170.68 O +TER 1287 LEU D 162 +END diff --git a/bench/main_benchmark/structures/SFB_FS_SELECASE_4QHFA_4QHGA/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_SELECASE_4QHFA_4QHGA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..10c888faa58b4651d6bd484adc532011c9755d13 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_SELECASE_4QHFA_4QHGA/state_a.pdb @@ -0,0 +1,916 @@ +ATOM 1 N MET A 1 45.892 16.874 -14.423 1.00 64.84 N +ATOM 2 CA MET A 1 45.695 17.382 -13.067 1.00 60.19 C +ATOM 3 C MET A 1 44.339 18.092 -12.926 1.00 60.48 C +ATOM 4 O MET A 1 44.028 18.993 -13.710 1.00 62.48 O +ATOM 5 CB MET A 1 46.828 18.349 -12.705 1.00 61.80 C +ATOM 6 CG MET A 1 46.888 18.704 -11.233 1.00 62.23 C +ATOM 7 SD MET A 1 47.675 20.300 -10.893 1.00 66.58 S +ATOM 8 CE MET A 1 49.135 20.183 -11.952 1.00 65.51 C +ATOM 9 N LYS A 2 43.564 17.712 -11.904 1.00 51.95 N +ATOM 10 CA LYS A 2 42.253 18.301 -11.613 1.00 48.98 C +ATOM 11 C LYS A 2 42.425 19.670 -10.948 1.00 49.85 C +ATOM 12 O LYS A 2 43.160 19.782 -9.964 1.00 46.41 O +ATOM 13 CB LYS A 2 41.434 17.358 -10.713 1.00 48.52 C +ATOM 14 CG LYS A 2 39.996 17.817 -10.418 1.00 52.70 C +ATOM 15 CD LYS A 2 39.087 17.773 -11.647 1.00 58.52 C +ATOM 16 CE LYS A 2 37.870 18.641 -11.460 1.00 55.04 C +ATOM 17 NZ LYS A 2 37.048 18.694 -12.692 1.00 67.07 N +ATOM 18 N ASP A 3 41.744 20.704 -11.494 1.00 47.02 N +ATOM 19 CA ASP A 3 41.772 22.081 -10.987 1.00 45.52 C +ATOM 20 C ASP A 3 41.498 22.099 -9.476 1.00 42.16 C +ATOM 21 O ASP A 3 40.496 21.554 -9.024 1.00 39.31 O +ATOM 22 CB ASP A 3 40.747 22.960 -11.742 1.00 50.13 C +ATOM 23 CG ASP A 3 40.713 24.424 -11.329 1.00 63.29 C +ATOM 24 OD1 ASP A 3 41.796 25.042 -11.229 1.00 66.04 O +ATOM 25 OD2 ASP A 3 39.608 24.956 -11.135 1.00 71.53 O +ATOM 26 N ARG A 4 42.406 22.706 -8.707 1.00 36.36 N +ATOM 27 CA ARG A 4 42.281 22.761 -7.254 1.00 33.42 C +ATOM 28 C ARG A 4 41.190 23.733 -6.800 1.00 37.40 C +ATOM 29 O ARG A 4 40.580 23.484 -5.765 1.00 36.69 O +ATOM 30 CB ARG A 4 43.622 23.105 -6.592 1.00 31.38 C +ATOM 31 CG ARG A 4 44.748 22.083 -6.832 1.00 37.03 C +ATOM 32 CD ARG A 4 44.274 20.639 -6.883 1.00 36.47 C +ATOM 33 NE ARG A 4 45.357 19.705 -6.602 1.00 37.65 N +ATOM 34 CZ ARG A 4 45.571 18.574 -7.257 1.00 48.48 C +ATOM 35 NH1 ARG A 4 44.795 18.233 -8.282 1.00 37.71 N +ATOM 36 NH2 ARG A 4 46.563 17.776 -6.900 1.00 38.23 N +ATOM 37 N LYS A 5 40.911 24.800 -7.579 1.00 35.90 N +ATOM 38 CA LYS A 5 39.878 25.795 -7.271 1.00 36.73 C +ATOM 39 C LYS A 5 38.514 25.127 -7.136 1.00 40.10 C +ATOM 40 O LYS A 5 37.799 25.403 -6.171 1.00 39.69 O +ATOM 41 CB LYS A 5 39.833 26.899 -8.352 1.00 42.08 C +ATOM 42 CG LYS A 5 38.838 28.015 -8.047 1.00 55.66 C +ATOM 43 CD LYS A 5 38.581 28.877 -9.277 1.00 71.68 C +ATOM 44 CE LYS A 5 37.362 29.760 -9.133 1.00 85.30 C +ATOM 45 NZ LYS A 5 37.618 30.932 -8.253 1.00 95.47 N +ATOM 46 N ILE A 6 38.165 24.240 -8.091 1.00 37.75 N +ATOM 47 CA ILE A 6 36.895 23.505 -8.109 1.00 36.79 C +ATOM 48 C ILE A 6 36.806 22.612 -6.859 1.00 36.03 C +ATOM 49 O ILE A 6 35.780 22.603 -6.184 1.00 33.72 O +ATOM 50 CB ILE A 6 36.746 22.669 -9.421 1.00 42.11 C +ATOM 51 CG1 ILE A 6 36.762 23.549 -10.730 1.00 47.16 C +ATOM 52 CG2 ILE A 6 35.531 21.750 -9.385 1.00 42.67 C +ATOM 53 CD1 ILE A 6 35.839 24.887 -10.840 1.00 51.93 C +ATOM 54 N LEU A 7 37.895 21.872 -6.553 1.00 31.85 N +ATOM 55 CA LEU A 7 37.935 20.984 -5.386 1.00 29.40 C +ATOM 56 C LEU A 7 37.843 21.772 -4.058 1.00 31.29 C +ATOM 57 O LEU A 7 37.140 21.338 -3.140 1.00 29.01 O +ATOM 58 CB LEU A 7 39.206 20.123 -5.411 1.00 28.93 C +ATOM 59 CG LEU A 7 39.353 19.191 -6.629 1.00 35.25 C +ATOM 60 CD1 LEU A 7 40.710 18.483 -6.613 1.00 34.58 C +ATOM 61 CD2 LEU A 7 38.190 18.190 -6.712 1.00 35.06 C +ATOM 62 N ASN A 8 38.550 22.912 -3.960 1.00 28.45 N +ATOM 63 CA ASN A 8 38.558 23.757 -2.747 1.00 27.75 C +ATOM 64 C ASN A 8 37.149 24.271 -2.459 1.00 32.59 C +ATOM 65 O ASN A 8 36.683 24.205 -1.318 1.00 30.93 O +ATOM 66 CB ASN A 8 39.536 24.935 -2.919 1.00 25.50 C +ATOM 67 CG ASN A 8 40.992 24.553 -2.833 1.00 38.92 C +ATOM 68 OD1 ASN A 8 41.343 23.538 -2.238 1.00 27.69 O +ATOM 69 ND2 ASN A 8 41.884 25.370 -3.413 1.00 27.55 N +ATOM 70 N GLU A 9 36.474 24.758 -3.522 1.00 31.23 N +ATOM 71 CA GLU A 9 35.105 25.278 -3.499 1.00 32.56 C +ATOM 72 C GLU A 9 34.103 24.207 -3.058 1.00 35.51 C +ATOM 73 O GLU A 9 33.320 24.463 -2.135 1.00 34.38 O +ATOM 74 CB GLU A 9 34.705 25.818 -4.878 1.00 36.21 C +ATOM 75 CG GLU A 9 35.171 27.232 -5.160 1.00 50.41 C +ATOM 76 CD GLU A 9 34.420 27.856 -6.323 1.00 79.43 C +ATOM 77 OE1 GLU A 9 34.823 27.624 -7.485 1.00 63.19 O +ATOM 78 OE2 GLU A 9 33.385 28.516 -6.076 1.00 82.09 O +ATOM 79 N ILE A 10 34.146 23.005 -3.688 1.00 31.88 N +ATOM 80 CA ILE A 10 33.213 21.915 -3.346 1.00 31.18 C +ATOM 81 C ILE A 10 33.461 21.464 -1.902 1.00 32.35 C +ATOM 82 O ILE A 10 32.506 21.248 -1.155 1.00 30.53 O +ATOM 83 CB ILE A 10 33.264 20.710 -4.339 1.00 34.55 C +ATOM 84 CG1 ILE A 10 32.782 21.104 -5.752 1.00 36.39 C +ATOM 85 CG2 ILE A 10 32.425 19.540 -3.793 1.00 36.25 C +ATOM 86 CD1 ILE A 10 33.226 20.142 -6.853 1.00 40.29 C +ATOM 87 N LEU A 11 34.734 21.333 -1.510 1.00 28.56 N +ATOM 88 CA LEU A 11 35.060 20.929 -0.147 1.00 27.28 C +ATOM 89 C LEU A 11 34.480 21.927 0.874 1.00 32.81 C +ATOM 90 O LEU A 11 33.766 21.505 1.782 1.00 32.14 O +ATOM 91 CB LEU A 11 36.578 20.775 0.049 1.00 26.37 C +ATOM 92 CG LEU A 11 37.025 20.182 1.398 1.00 29.27 C +ATOM 93 CD1 LEU A 11 36.371 18.804 1.679 1.00 26.44 C +ATOM 94 CD2 LEU A 11 38.546 20.121 1.491 1.00 26.95 C +ATOM 95 N SER A 12 34.763 23.240 0.697 1.00 28.64 N +ATOM 96 CA SER A 12 34.295 24.311 1.584 1.00 29.55 C +ATOM 97 C SER A 12 32.759 24.320 1.701 1.00 32.25 C +ATOM 98 O SER A 12 32.215 24.324 2.814 1.00 31.18 O +ATOM 99 CB SER A 12 34.800 25.666 1.084 1.00 33.68 C +ATOM 100 OG SER A 12 34.264 26.719 1.865 1.00 42.83 O +ATOM 101 N ASN A 13 32.073 24.284 0.553 1.00 28.62 N +ATOM 102 CA ASN A 13 30.614 24.292 0.497 1.00 28.36 C +ATOM 103 C ASN A 13 29.999 23.088 1.202 1.00 31.83 C +ATOM 104 O ASN A 13 29.034 23.269 1.937 1.00 33.12 O +ATOM 105 CB ASN A 13 30.128 24.312 -0.956 1.00 28.34 C +ATOM 106 CG ASN A 13 30.386 25.587 -1.724 1.00 52.48 C +ATOM 107 OD1 ASN A 13 30.298 25.609 -2.958 1.00 51.09 O +ATOM 108 ND2 ASN A 13 30.710 26.671 -1.037 1.00 45.09 N +ATOM 109 N THR A 14 30.543 21.877 0.981 1.00 26.90 N +ATOM 110 CA THR A 14 29.987 20.639 1.550 1.00 27.17 C +ATOM 111 C THR A 14 30.187 20.607 3.065 1.00 30.81 C +ATOM 112 O THR A 14 29.279 20.201 3.797 1.00 29.63 O +ATOM 113 CB THR A 14 30.561 19.400 0.850 1.00 34.58 C +ATOM 114 OG1 THR A 14 30.455 19.576 -0.578 1.00 31.17 O +ATOM 115 CG2 THR A 14 29.823 18.126 1.251 1.00 34.42 C +ATOM 116 N ILE A 15 31.368 21.061 3.536 1.00 28.95 N +ATOM 117 CA ILE A 15 31.670 21.168 4.964 1.00 28.57 C +ATOM 118 C ILE A 15 30.645 22.118 5.595 1.00 33.66 C +ATOM 119 O ILE A 15 30.100 21.810 6.664 1.00 32.99 O +ATOM 120 CB ILE A 15 33.147 21.617 5.192 1.00 30.45 C +ATOM 121 CG1 ILE A 15 34.116 20.418 4.989 1.00 27.81 C +ATOM 122 CG2 ILE A 15 33.350 22.255 6.571 1.00 31.29 C +ATOM 123 CD1 ILE A 15 35.555 20.825 4.789 1.00 31.46 C +ATOM 124 N ASN A 16 30.341 23.241 4.902 1.00 31.04 N +ATOM 125 CA ASN A 16 29.370 24.206 5.410 1.00 33.27 C +ATOM 126 C ASN A 16 27.973 23.595 5.482 1.00 36.37 C +ATOM 127 O ASN A 16 27.324 23.702 6.524 1.00 36.33 O +ATOM 128 CB ASN A 16 29.355 25.483 4.573 1.00 38.03 C +ATOM 129 CG ASN A 16 28.360 26.521 5.055 1.00 68.54 C +ATOM 130 OD1 ASN A 16 28.218 26.782 6.259 1.00 59.28 O +ATOM 131 ND2 ASN A 16 27.631 27.120 4.122 1.00 63.85 N +ATOM 132 N GLU A 17 27.525 22.923 4.396 1.00 31.91 N +ATOM 133 CA GLU A 17 26.186 22.321 4.358 1.00 31.92 C +ATOM 134 C GLU A 17 26.048 21.151 5.342 1.00 33.55 C +ATOM 135 O GLU A 17 24.954 20.907 5.825 1.00 33.30 O +ATOM 136 CB GLU A 17 25.824 21.875 2.939 1.00 33.21 C +ATOM 137 CG GLU A 17 25.485 23.042 2.023 1.00 41.76 C +ATOM 138 CD GLU A 17 25.227 22.642 0.586 1.00 58.83 C +ATOM 139 OE1 GLU A 17 25.912 23.181 -0.309 1.00 62.68 O +ATOM 140 OE2 GLU A 17 24.345 21.787 0.351 1.00 56.14 O +ATOM 141 N LEU A 18 27.151 20.466 5.682 1.00 29.69 N +ATOM 142 CA LEU A 18 27.070 19.350 6.624 1.00 29.59 C +ATOM 143 C LEU A 18 27.307 19.788 8.070 1.00 33.77 C +ATOM 144 O LEU A 18 27.370 18.925 8.955 1.00 33.15 O +ATOM 145 CB LEU A 18 28.035 18.222 6.233 1.00 28.73 C +ATOM 146 CG LEU A 18 27.645 17.475 4.962 1.00 32.33 C +ATOM 147 CD1 LEU A 18 28.711 16.486 4.564 1.00 30.58 C +ATOM 148 CD2 LEU A 18 26.236 16.842 5.062 1.00 33.42 C +ATOM 149 N ASN A 19 27.383 21.127 8.310 1.00 31.02 N +ATOM 150 CA ASN A 19 27.624 21.781 9.612 1.00 33.40 C +ATOM 151 C ASN A 19 28.906 21.241 10.269 1.00 38.18 C +ATOM 152 O ASN A 19 28.915 20.881 11.448 1.00 38.84 O +ATOM 153 CB ASN A 19 26.405 21.646 10.564 1.00 33.39 C +ATOM 154 CG ASN A 19 25.148 22.272 10.028 1.00 49.26 C +ATOM 155 OD1 ASN A 19 24.127 21.602 9.866 1.00 44.76 O +ATOM 156 ND2 ASN A 19 25.197 23.563 9.711 1.00 42.38 N +ATOM 157 N LEU A 20 29.986 21.208 9.495 1.00 34.87 N +ATOM 158 CA LEU A 20 31.294 20.747 9.957 1.00 35.20 C +ATOM 159 C LEU A 20 32.354 21.869 9.891 1.00 41.51 C +ATOM 160 O LEU A 20 33.558 21.572 9.932 1.00 39.69 O +ATOM 161 CB LEU A 20 31.754 19.538 9.109 1.00 33.25 C +ATOM 162 CG LEU A 20 30.906 18.254 9.202 1.00 36.53 C +ATOM 163 CD1 LEU A 20 31.209 17.329 8.027 1.00 34.32 C +ATOM 164 CD2 LEU A 20 31.117 17.541 10.530 1.00 38.05 C +ATOM 165 N ASN A 21 31.910 23.151 9.796 1.00 40.98 N +ATOM 166 CA ASN A 21 32.789 24.335 9.696 1.00 42.89 C +ATOM 167 C ASN A 21 33.807 24.417 10.815 1.00 50.99 C +ATOM 168 O ASN A 21 34.894 24.954 10.604 1.00 51.94 O +ATOM 169 CB ASN A 21 31.986 25.630 9.658 1.00 45.95 C +ATOM 170 CG ASN A 21 31.402 25.971 8.310 1.00 64.58 C +ATOM 171 OD1 ASN A 21 31.860 25.512 7.253 1.00 53.42 O +ATOM 172 ND2 ASN A 21 30.387 26.819 8.321 1.00 60.10 N +ATOM 173 N ASP A 22 33.477 23.864 11.993 1.00 50.61 N +ATOM 174 CA ASP A 22 34.352 23.828 13.166 1.00 53.59 C +ATOM 175 C ASP A 22 35.608 22.956 12.908 1.00 56.28 C +ATOM 176 O ASP A 22 36.634 23.150 13.566 1.00 57.44 O +ATOM 177 CB ASP A 22 33.571 23.313 14.388 1.00 58.07 C +ATOM 178 CG ASP A 22 32.834 22.009 14.123 1.00 71.16 C +ATOM 179 OD1 ASP A 22 31.803 22.041 13.405 1.00 71.00 O +ATOM 180 OD2 ASP A 22 33.299 20.955 14.611 1.00 78.21 O +ATOM 181 N LYS A 23 35.539 22.047 11.909 1.00 50.93 N +ATOM 182 CA LYS A 23 36.628 21.134 11.534 1.00 49.28 C +ATOM 183 C LYS A 23 37.296 21.534 10.208 1.00 51.37 C +ATOM 184 O LYS A 23 38.214 20.835 9.760 1.00 49.23 O +ATOM 185 CB LYS A 23 36.098 19.684 11.441 1.00 50.42 C +ATOM 186 CG LYS A 23 35.602 19.120 12.777 1.00 66.86 C +ATOM 187 CD LYS A 23 35.626 17.596 12.825 1.00 78.79 C +ATOM 188 CE LYS A 23 35.227 17.074 14.188 1.00 93.92 C +ATOM 189 NZ LYS A 23 35.086 15.593 14.197 1.00104.17 N +ATOM 190 N LYS A 24 36.862 22.675 9.606 1.00 47.85 N +ATOM 191 CA LYS A 24 37.319 23.190 8.305 1.00 46.00 C +ATOM 192 C LYS A 24 38.850 23.268 8.156 1.00 50.33 C +ATOM 193 O LYS A 24 39.369 22.876 7.109 1.00 49.29 O +ATOM 194 CB LYS A 24 36.706 24.563 7.998 1.00 48.56 C +ATOM 195 CG LYS A 24 36.692 24.865 6.506 1.00 54.26 C +ATOM 196 CD LYS A 24 35.871 26.080 6.171 1.00 60.36 C +ATOM 197 CE LYS A 24 35.973 26.409 4.708 1.00 59.29 C +ATOM 198 NZ LYS A 24 37.223 27.135 4.392 1.00 72.02 N +ATOM 199 N ALA A 25 39.563 23.750 9.184 1.00 47.62 N +ATOM 200 CA ALA A 25 41.019 23.880 9.149 1.00 47.81 C +ATOM 201 C ALA A 25 41.754 22.513 9.139 1.00 49.20 C +ATOM 202 O ALA A 25 42.922 22.466 8.763 1.00 48.87 O +ATOM 203 CB ALA A 25 41.490 24.703 10.340 1.00 51.96 C +ATOM 204 N ASN A 26 41.086 21.418 9.542 1.00 43.50 N +ATOM 205 CA ASN A 26 41.735 20.109 9.666 1.00 42.95 C +ATOM 206 C ASN A 26 41.480 19.185 8.481 1.00 43.43 C +ATOM 207 O ASN A 26 42.278 18.279 8.236 1.00 44.35 O +ATOM 208 CB ASN A 26 41.246 19.411 10.940 1.00 46.89 C +ATOM 209 CG ASN A 26 41.226 20.299 12.170 1.00 74.87 C +ATOM 210 OD1 ASN A 26 42.256 20.540 12.808 1.00 67.66 O +ATOM 211 ND2 ASN A 26 40.051 20.823 12.516 1.00 62.40 N +ATOM 212 N ILE A 27 40.376 19.403 7.757 1.00 35.37 N +ATOM 213 CA ILE A 27 39.943 18.545 6.660 1.00 32.13 C +ATOM 214 C ILE A 27 40.660 18.911 5.377 1.00 33.81 C +ATOM 215 O ILE A 27 40.618 20.066 4.959 1.00 30.97 O +ATOM 216 CB ILE A 27 38.394 18.627 6.482 1.00 33.82 C +ATOM 217 CG1 ILE A 27 37.649 18.217 7.796 1.00 34.78 C +ATOM 218 CG2 ILE A 27 37.939 17.773 5.270 1.00 31.66 C +ATOM 219 CD1 ILE A 27 36.142 18.505 7.834 1.00 37.32 C +ATOM 220 N LYS A 28 41.273 17.912 4.724 1.00 30.64 N +ATOM 221 CA LYS A 28 41.926 18.128 3.437 1.00 30.24 C +ATOM 222 C LYS A 28 41.692 16.939 2.487 1.00 32.88 C +ATOM 223 O LYS A 28 41.375 15.831 2.925 1.00 32.48 O +ATOM 224 CB LYS A 28 43.432 18.411 3.610 1.00 32.94 C +ATOM 225 CG LYS A 28 44.278 17.243 4.071 1.00 42.61 C +ATOM 226 CD LYS A 28 45.767 17.636 4.081 1.00 56.50 C +ATOM 227 CE LYS A 28 46.628 16.678 4.880 1.00 63.16 C +ATOM 228 NZ LYS A 28 48.073 17.056 4.862 1.00 64.09 N +ATOM 229 N ILE A 29 41.899 17.182 1.191 1.00 27.26 N +ATOM 230 CA ILE A 29 41.822 16.178 0.141 1.00 26.16 C +ATOM 231 C ILE A 29 43.224 15.820 -0.310 1.00 30.24 C +ATOM 232 O ILE A 29 44.060 16.701 -0.444 1.00 29.10 O +ATOM 233 CB ILE A 29 40.976 16.679 -1.061 1.00 28.42 C +ATOM 234 CG1 ILE A 29 39.529 17.039 -0.643 1.00 27.75 C +ATOM 235 CG2 ILE A 29 41.001 15.687 -2.239 1.00 30.14 C +ATOM 236 CD1 ILE A 29 38.762 17.815 -1.723 1.00 29.36 C +ATOM 237 N LYS A 30 43.465 14.535 -0.572 1.00 29.36 N +ATOM 238 CA LYS A 30 44.698 14.027 -1.166 1.00 31.51 C +ATOM 239 C LYS A 30 44.307 13.148 -2.343 1.00 36.49 C +ATOM 240 O LYS A 30 43.298 12.440 -2.279 1.00 36.43 O +ATOM 241 CB LYS A 30 45.589 13.291 -0.159 1.00 35.30 C +ATOM 242 CG LYS A 30 46.366 14.252 0.717 1.00 41.73 C +ATOM 243 CD LYS A 30 47.640 13.644 1.217 1.00 50.53 C +ATOM 244 CE LYS A 30 48.327 14.543 2.212 1.00 66.93 C +ATOM 245 NZ LYS A 30 49.560 13.909 2.766 1.00 79.80 N +ATOM 246 N ILE A 31 45.029 13.284 -3.446 1.00 33.69 N +ATOM 247 CA ILE A 31 44.765 12.548 -4.672 1.00 35.72 C +ATOM 248 C ILE A 31 45.883 11.525 -4.866 1.00 41.90 C +ATOM 249 O ILE A 31 47.042 11.909 -5.017 1.00 41.44 O +ATOM 250 CB ILE A 31 44.618 13.526 -5.877 1.00 38.96 C +ATOM 251 CG1 ILE A 31 43.460 14.537 -5.624 1.00 37.40 C +ATOM 252 CG2 ILE A 31 44.375 12.750 -7.179 1.00 41.37 C +ATOM 253 CD1 ILE A 31 43.551 15.779 -6.458 1.00 37.82 C +ATOM 254 N LYS A 32 45.538 10.217 -4.843 1.00 41.15 N +ATOM 255 CA LYS A 32 46.523 9.138 -5.010 1.00 44.35 C +ATOM 256 C LYS A 32 45.864 7.871 -5.539 1.00 51.62 C +ATOM 257 O LYS A 32 44.668 7.683 -5.310 1.00 49.04 O +ATOM 258 CB LYS A 32 47.279 8.838 -3.690 1.00 47.66 C +ATOM 259 CG LYS A 32 46.439 8.270 -2.544 1.00 60.02 C +ATOM 260 CD LYS A 32 47.288 8.012 -1.307 1.00 72.27 C +ATOM 261 CE LYS A 32 47.492 6.540 -1.054 1.00 90.48 C +ATOM 262 NZ LYS A 32 48.375 6.301 0.118 1.00101.75 N +ATOM 263 N PRO A 33 46.611 6.983 -6.251 1.00 53.29 N +ATOM 264 CA PRO A 33 45.997 5.735 -6.717 1.00 56.62 C +ATOM 265 C PRO A 33 45.462 4.926 -5.541 1.00 62.58 C +ATOM 266 O PRO A 33 46.136 4.801 -4.512 1.00 62.82 O +ATOM 267 CB PRO A 33 47.154 4.998 -7.417 1.00 62.18 C +ATOM 268 CG PRO A 33 48.164 6.023 -7.706 1.00 64.90 C +ATOM 269 CD PRO A 33 48.042 7.045 -6.621 1.00 56.66 C +ATOM 270 N LEU A 34 44.224 4.452 -5.663 1.00 60.05 N +ATOM 271 CA LEU A 34 43.586 3.607 -4.659 1.00 61.48 C +ATOM 272 C LEU A 34 43.205 2.274 -5.321 1.00 73.51 C +ATOM 273 O LEU A 34 42.882 2.245 -6.515 1.00 74.77 O +ATOM 274 CB LEU A 34 42.365 4.295 -4.013 1.00 57.86 C +ATOM 275 CG LEU A 34 42.602 5.575 -3.177 1.00 57.50 C +ATOM 276 CD1 LEU A 34 41.282 6.184 -2.733 1.00 54.84 C +ATOM 277 CD2 LEU A 34 43.465 5.305 -1.946 1.00 59.72 C +ATOM 278 N LYS A 35 43.301 1.169 -4.579 1.00 74.94 N +ATOM 279 CA LYS A 35 42.946 -0.138 -5.136 1.00 80.38 C +ATOM 280 C LYS A 35 41.563 -0.550 -4.635 1.00 85.37 C +ATOM 281 O LYS A 35 41.296 -0.462 -3.435 1.00 84.05 O +ATOM 282 CB LYS A 35 44.007 -1.197 -4.804 1.00 87.87 C +ATOM 283 CG LYS A 35 45.250 -1.119 -5.698 1.00105.97 C +ATOM 284 CD LYS A 35 46.412 -0.410 -5.009 1.00113.80 C +ATOM 285 CE LYS A 35 47.311 0.318 -5.979 1.00121.27 C +ATOM 286 NZ LYS A 35 48.493 0.909 -5.296 1.00126.46 N +ATOM 287 N ARG A 36 40.680 -0.955 -5.581 1.00 83.54 N +ATOM 288 CA ARG A 36 39.281 -1.407 -5.446 1.00 84.11 C +ATOM 289 C ARG A 36 38.361 -0.405 -4.654 1.00 80.38 C +ATOM 290 O ARG A 36 37.365 -0.838 -4.054 1.00 80.89 O +ATOM 291 CB ARG A 36 39.173 -2.848 -4.868 1.00 91.75 C +ATOM 292 CG ARG A 36 39.708 -3.065 -3.452 1.00107.39 C +ATOM 293 CD ARG A 36 39.252 -4.362 -2.819 1.00127.97 C +ATOM 294 NE ARG A 36 39.265 -4.242 -1.360 1.00138.43 N +ATOM 295 CZ ARG A 36 39.049 -5.242 -0.513 1.00157.03 C +ATOM 296 NH1 ARG A 36 38.807 -6.467 -0.967 1.00148.79 N +ATOM 297 NH2 ARG A 36 39.080 -5.028 0.796 1.00143.59 N +ATOM 298 N LYS A 37 38.640 0.928 -4.730 1.00 69.58 N +ATOM 299 CA LYS A 37 37.805 1.952 -4.077 1.00 64.11 C +ATOM 300 C LYS A 37 37.973 3.348 -4.717 1.00 63.36 C +ATOM 301 O LYS A 37 39.079 3.745 -5.073 1.00 61.88 O +ATOM 302 CB LYS A 37 38.013 2.020 -2.547 1.00 64.52 C +ATOM 303 CG LYS A 37 39.450 2.031 -2.062 1.00 80.21 C +ATOM 304 CD LYS A 37 39.498 2.007 -0.541 1.00 91.19 C +ATOM 305 CE LYS A 37 40.818 1.493 -0.019 1.00107.76 C +ATOM 306 NZ LYS A 37 40.856 1.485 1.467 1.00117.45 N +ATOM 307 N ILE A 38 36.848 4.077 -4.858 1.00 58.26 N +ATOM 308 CA ILE A 38 36.738 5.428 -5.442 1.00 55.14 C +ATOM 309 C ILE A 38 37.311 6.498 -4.491 1.00 52.00 C +ATOM 310 O ILE A 38 37.939 7.468 -4.940 1.00 48.77 O +ATOM 311 CB ILE A 38 35.250 5.759 -5.777 1.00 58.80 C +ATOM 312 CG1 ILE A 38 34.519 4.578 -6.444 1.00 63.80 C +ATOM 313 CG2 ILE A 38 35.139 7.031 -6.633 1.00 59.52 C +ATOM 314 CD1 ILE A 38 33.080 4.424 -6.025 1.00 70.49 C +ATOM 315 N ALA A 39 37.026 6.352 -3.187 1.00 46.31 N +ATOM 316 CA ALA A 39 37.461 7.288 -2.152 1.00 43.18 C +ATOM 317 C ALA A 39 37.492 6.624 -0.789 1.00 49.73 C +ATOM 318 O ALA A 39 36.888 5.577 -0.590 1.00 52.78 O +ATOM 319 CB ALA A 39 36.536 8.500 -2.110 1.00 40.98 C +ATOM 320 N SER A 40 38.189 7.244 0.152 1.00 45.59 N +ATOM 321 CA SER A 40 38.285 6.781 1.531 1.00 46.56 C +ATOM 322 C SER A 40 38.554 7.983 2.428 1.00 48.44 C +ATOM 323 O SER A 40 38.725 9.095 1.928 1.00 46.18 O +ATOM 324 CB SER A 40 39.374 5.722 1.677 1.00 51.99 C +ATOM 325 OG SER A 40 40.626 6.230 1.251 1.00 61.38 O +ATOM 326 N ILE A 41 38.579 7.772 3.741 1.00 45.92 N +ATOM 327 CA ILE A 41 38.835 8.852 4.678 1.00 44.40 C +ATOM 328 C ILE A 41 39.669 8.335 5.851 1.00 51.61 C +ATOM 329 O ILE A 41 39.423 7.246 6.363 1.00 54.49 O +ATOM 330 CB ILE A 41 37.515 9.560 5.135 1.00 45.59 C +ATOM 331 CG1 ILE A 41 37.805 10.846 5.961 1.00 44.35 C +ATOM 332 CG2 ILE A 41 36.541 8.601 5.862 1.00 48.42 C +ATOM 333 CD1 ILE A 41 36.654 11.847 6.087 1.00 45.83 C +ATOM 334 N SER A 42 40.683 9.105 6.233 1.00 48.23 N +ATOM 335 CA SER A 42 41.479 8.828 7.415 1.00 51.27 C +ATOM 336 C SER A 42 40.819 9.646 8.510 1.00 56.86 C +ATOM 337 O SER A 42 40.911 10.877 8.497 1.00 53.68 O +ATOM 338 CB SER A 42 42.942 9.196 7.194 1.00 54.19 C +ATOM 339 OG SER A 42 43.675 8.997 8.391 1.00 63.74 O +ATOM 340 N LEU A 43 40.052 8.980 9.382 1.00 57.35 N +ATOM 341 CA LEU A 43 39.277 9.648 10.427 1.00 58.20 C +ATOM 342 C LEU A 43 40.166 10.250 11.514 1.00 66.45 C +ATOM 343 O LEU A 43 39.719 11.159 12.218 1.00 66.96 O +ATOM 344 CB LEU A 43 38.223 8.703 11.024 1.00 60.14 C +ATOM 345 CG LEU A 43 37.147 8.196 10.041 1.00 63.48 C +ATOM 346 CD1 LEU A 43 36.275 7.133 10.662 1.00 66.45 C +ATOM 347 CD2 LEU A 43 36.275 9.314 9.536 1.00 63.46 C +ATOM 348 N THR A 44 41.433 9.798 11.604 1.00 64.91 N +ATOM 349 CA THR A 44 42.413 10.307 12.549 1.00 67.39 C +ATOM 350 C THR A 44 43.124 11.526 11.934 1.00 69.75 C +ATOM 351 O THR A 44 43.372 12.505 12.647 1.00 72.46 O +ATOM 352 CB THR A 44 43.412 9.184 12.952 1.00 80.70 C +ATOM 353 OG1 THR A 44 42.692 8.038 13.425 1.00 81.17 O +ATOM 354 CG2 THR A 44 44.407 9.626 14.023 1.00 82.70 C +ATOM 355 N ASN A 45 43.478 11.452 10.633 1.00 60.84 N +ATOM 356 CA ASN A 45 44.206 12.504 9.924 1.00 57.64 C +ATOM 357 C ASN A 45 43.295 13.535 9.252 1.00 56.27 C +ATOM 358 O ASN A 45 43.811 14.498 8.684 1.00 56.04 O +ATOM 359 CB ASN A 45 45.128 11.888 8.868 1.00 60.71 C +ATOM 360 CG ASN A 45 46.298 11.124 9.441 1.00 90.54 C +ATOM 361 OD1 ASN A 45 46.242 9.903 9.637 1.00 84.04 O +ATOM 362 ND2 ASN A 45 47.395 11.825 9.705 1.00 84.43 N +ATOM 363 N LYS A 46 41.958 13.336 9.305 1.00 49.16 N +ATOM 364 CA LYS A 46 40.912 14.187 8.691 1.00 46.18 C +ATOM 365 C LYS A 46 41.199 14.388 7.178 1.00 45.61 C +ATOM 366 O LYS A 46 41.016 15.486 6.650 1.00 44.73 O +ATOM 367 CB LYS A 46 40.792 15.545 9.425 1.00 49.16 C +ATOM 368 CG LYS A 46 40.499 15.435 10.918 1.00 58.67 C +ATOM 369 CD LYS A 46 39.045 15.704 11.235 1.00 62.06 C +ATOM 370 CE LYS A 46 38.654 15.177 12.592 1.00 78.10 C +ATOM 371 NZ LYS A 46 39.250 15.968 13.703 1.00 91.22 N +ATOM 372 N THR A 47 41.693 13.329 6.503 1.00 38.64 N +ATOM 373 CA THR A 47 42.066 13.404 5.103 1.00 36.19 C +ATOM 374 C THR A 47 41.164 12.522 4.262 1.00 38.02 C +ATOM 375 O THR A 47 41.007 11.345 4.555 1.00 39.66 O +ATOM 376 CB THR A 47 43.556 13.040 4.923 1.00 45.62 C +ATOM 377 OG1 THR A 47 44.341 13.911 5.739 1.00 45.90 O +ATOM 378 CG2 THR A 47 44.028 13.168 3.477 1.00 41.25 C +ATOM 379 N ILE A 48 40.595 13.098 3.208 1.00 32.13 N +ATOM 380 CA ILE A 48 39.780 12.400 2.210 1.00 31.23 C +ATOM 381 C ILE A 48 40.702 12.062 1.058 1.00 35.96 C +ATOM 382 O ILE A 48 41.308 12.965 0.475 1.00 35.53 O +ATOM 383 CB ILE A 48 38.550 13.246 1.741 1.00 32.57 C +ATOM 384 CG1 ILE A 48 37.595 13.559 2.913 1.00 32.51 C +ATOM 385 CG2 ILE A 48 37.802 12.551 0.566 1.00 33.91 C +ATOM 386 CD1 ILE A 48 36.684 14.822 2.653 1.00 38.69 C +ATOM 387 N TYR A 49 40.817 10.779 0.731 1.00 33.65 N +ATOM 388 CA TYR A 49 41.637 10.319 -0.386 1.00 34.28 C +ATOM 389 C TYR A 49 40.745 10.088 -1.591 1.00 36.19 C +ATOM 390 O TYR A 49 39.708 9.435 -1.458 1.00 34.65 O +ATOM 391 CB TYR A 49 42.397 9.030 -0.011 1.00 38.59 C +ATOM 392 CG TYR A 49 43.417 9.219 1.094 1.00 42.17 C +ATOM 393 CD1 TYR A 49 44.720 9.613 0.806 1.00 45.45 C +ATOM 394 CD2 TYR A 49 43.075 9.013 2.429 1.00 43.49 C +ATOM 395 CE1 TYR A 49 45.668 9.771 1.817 1.00 48.80 C +ATOM 396 CE2 TYR A 49 44.008 9.192 3.450 1.00 45.65 C +ATOM 397 CZ TYR A 49 45.309 9.554 3.138 1.00 55.32 C +ATOM 398 OH TYR A 49 46.241 9.720 4.136 1.00 57.73 O +ATOM 399 N ILE A 50 41.091 10.672 -2.746 1.00 32.66 N +ATOM 400 CA ILE A 50 40.294 10.440 -3.960 1.00 33.97 C +ATOM 401 C ILE A 50 41.179 9.621 -4.898 1.00 40.73 C +ATOM 402 O ILE A 50 42.359 9.944 -5.056 1.00 39.36 O +ATOM 403 CB ILE A 50 39.712 11.730 -4.633 1.00 35.77 C +ATOM 404 CG1 ILE A 50 38.861 12.549 -3.649 1.00 33.82 C +ATOM 405 CG2 ILE A 50 38.871 11.367 -5.882 1.00 38.90 C +ATOM 406 CD1 ILE A 50 38.419 13.940 -4.171 1.00 38.07 C +ATOM 407 N ASN A 51 40.625 8.544 -5.482 1.00 41.11 N +ATOM 408 CA ASN A 51 41.383 7.680 -6.382 1.00 43.92 C +ATOM 409 C ASN A 51 41.824 8.462 -7.635 1.00 48.82 C +ATOM 410 O ASN A 51 40.989 8.831 -8.472 1.00 49.61 O +ATOM 411 CB ASN A 51 40.578 6.432 -6.758 1.00 44.21 C +ATOM 412 CG ASN A 51 41.404 5.321 -7.359 1.00 57.71 C +ATOM 413 OD1 ASN A 51 42.503 5.522 -7.882 1.00 53.84 O +ATOM 414 ND2 ASN A 51 40.899 4.110 -7.283 1.00 52.69 N +ATOM 415 N LYS A 52 43.145 8.728 -7.736 1.00 44.66 N +ATOM 416 CA LYS A 52 43.782 9.440 -8.856 1.00 45.16 C +ATOM 417 C LYS A 52 43.410 8.811 -10.211 1.00 53.55 C +ATOM 418 O LYS A 52 43.309 9.524 -11.214 1.00 54.11 O +ATOM 419 CB LYS A 52 45.312 9.428 -8.691 1.00 46.86 C +ATOM 420 CG LYS A 52 46.064 10.380 -9.625 1.00 53.29 C +ATOM 421 CD LYS A 52 47.562 10.151 -9.589 1.00 61.99 C +ATOM 422 CE LYS A 52 48.356 11.344 -10.084 1.00 77.22 C +ATOM 423 NZ LYS A 52 48.205 11.580 -11.546 1.00 88.02 N +ATOM 424 N ASN A 53 43.196 7.485 -10.226 1.00 53.67 N +ATOM 425 CA ASN A 53 42.885 6.727 -11.443 1.00 58.40 C +ATOM 426 C ASN A 53 41.457 6.954 -11.943 1.00 63.66 C +ATOM 427 O ASN A 53 41.209 6.697 -13.118 1.00 66.11 O +ATOM 428 CB ASN A 53 43.127 5.223 -11.229 1.00 59.26 C +ATOM 429 CG ASN A 53 44.523 4.872 -10.761 1.00 77.04 C +ATOM 430 OD1 ASN A 53 45.503 5.587 -11.018 1.00 64.87 O +ATOM 431 ND2 ASN A 53 44.634 3.770 -10.030 1.00 70.42 N +ATOM 432 N ILE A 54 40.528 7.431 -11.080 1.00 58.07 N +ATOM 433 CA ILE A 54 39.121 7.630 -11.484 1.00 58.49 C +ATOM 434 C ILE A 54 38.756 9.129 -11.568 1.00 57.92 C +ATOM 435 O ILE A 54 37.822 9.479 -12.303 1.00 57.74 O +ATOM 436 CB ILE A 54 38.171 6.856 -10.521 1.00 61.94 C +ATOM 437 CG1 ILE A 54 38.440 5.333 -10.598 1.00 66.95 C +ATOM 438 CG2 ILE A 54 36.686 7.144 -10.815 1.00 64.73 C +ATOM 439 CD1 ILE A 54 38.157 4.565 -9.307 1.00 76.42 C +ATOM 440 N LEU A 55 39.491 10.002 -10.829 1.00 50.36 N +ATOM 441 CA LEU A 55 39.231 11.446 -10.740 1.00 48.20 C +ATOM 442 C LEU A 55 39.078 12.139 -12.127 1.00 54.29 C +ATOM 443 O LEU A 55 38.122 12.914 -12.248 1.00 52.52 O +ATOM 444 CB LEU A 55 40.289 12.179 -9.871 1.00 45.46 C +ATOM 445 CG LEU A 55 40.064 13.678 -9.606 1.00 48.52 C +ATOM 446 CD1 LEU A 55 38.643 13.972 -9.112 1.00 48.57 C +ATOM 447 CD2 LEU A 55 41.067 14.206 -8.613 1.00 48.85 C +ATOM 448 N PRO A 56 39.915 11.876 -13.178 1.00 55.34 N +ATOM 449 CA PRO A 56 39.700 12.556 -14.474 1.00 58.01 C +ATOM 450 C PRO A 56 38.373 12.197 -15.167 1.00 65.41 C +ATOM 451 O PRO A 56 37.950 12.937 -16.051 1.00 67.54 O +ATOM 452 CB PRO A 56 40.890 12.082 -15.327 1.00 62.72 C +ATOM 453 CG PRO A 56 41.925 11.650 -14.335 1.00 64.94 C +ATOM 454 CD PRO A 56 41.126 11.024 -13.239 1.00 58.71 C +ATOM 455 N TYR A 57 37.720 11.084 -14.770 1.00 62.23 N +ATOM 456 CA TYR A 57 36.445 10.628 -15.346 1.00 64.78 C +ATOM 457 C TYR A 57 35.213 11.331 -14.705 1.00 63.99 C +ATOM 458 O TYR A 57 34.150 11.358 -15.319 1.00 66.14 O +ATOM 459 CB TYR A 57 36.280 9.093 -15.162 1.00 68.37 C +ATOM 460 CG TYR A 57 37.326 8.193 -15.793 1.00 73.45 C +ATOM 461 CD1 TYR A 57 38.591 8.061 -15.231 1.00 73.64 C +ATOM 462 CD2 TYR A 57 36.996 7.341 -16.840 1.00 80.30 C +ATOM 463 CE1 TYR A 57 39.546 7.207 -15.784 1.00 78.56 C +ATOM 464 CE2 TYR A 57 37.935 6.464 -17.387 1.00 85.22 C +ATOM 465 CZ TYR A 57 39.215 6.412 -16.865 1.00 91.14 C +ATOM 466 OH TYR A 57 40.146 5.556 -17.403 1.00 96.80 O +ATOM 467 N LEU A 58 35.357 11.893 -13.482 1.00 53.73 N +ATOM 468 CA LEU A 58 34.249 12.462 -12.690 1.00 49.67 C +ATOM 469 C LEU A 58 33.763 13.863 -13.061 1.00 51.25 C +ATOM 470 O LEU A 58 34.548 14.772 -13.311 1.00 47.82 O +ATOM 471 CB LEU A 58 34.608 12.483 -11.190 1.00 44.90 C +ATOM 472 CG LEU A 58 35.050 11.153 -10.576 1.00 49.00 C +ATOM 473 CD1 LEU A 58 35.452 11.330 -9.136 1.00 44.91 C +ATOM 474 CD2 LEU A 58 33.988 10.049 -10.751 1.00 51.52 C +ATOM 475 N SER A 59 32.429 14.041 -12.999 1.00 50.08 N +ATOM 476 CA SER A 59 31.788 15.343 -13.170 1.00 50.58 C +ATOM 477 C SER A 59 31.872 16.084 -11.819 1.00 52.01 C +ATOM 478 O SER A 59 32.204 15.454 -10.812 1.00 47.62 O +ATOM 479 CB SER A 59 30.343 15.173 -13.620 1.00 55.85 C +ATOM 480 OG SER A 59 29.533 14.790 -12.523 1.00 60.42 O +ATOM 481 N ASP A 60 31.560 17.396 -11.789 1.00 50.31 N +ATOM 482 CA ASP A 60 31.625 18.201 -10.564 1.00 47.07 C +ATOM 483 C ASP A 60 30.594 17.743 -9.532 1.00 48.04 C +ATOM 484 O ASP A 60 30.910 17.731 -8.345 1.00 44.11 O +ATOM 485 CB ASP A 60 31.448 19.695 -10.874 1.00 50.87 C +ATOM 486 CG ASP A 60 32.651 20.363 -11.538 1.00 60.45 C +ATOM 487 OD1 ASP A 60 33.636 19.651 -11.857 1.00 59.90 O +ATOM 488 OD2 ASP A 60 32.601 21.593 -11.749 1.00 66.98 O +ATOM 489 N GLU A 61 29.383 17.325 -9.985 1.00 46.41 N +ATOM 490 CA GLU A 61 28.337 16.809 -9.095 1.00 43.67 C +ATOM 491 C GLU A 61 28.781 15.477 -8.474 1.00 43.18 C +ATOM 492 O GLU A 61 28.541 15.256 -7.293 1.00 40.30 O +ATOM 493 CB GLU A 61 26.998 16.666 -9.841 1.00 48.58 C +ATOM 494 CG GLU A 61 25.803 16.364 -8.942 1.00 55.57 C +ATOM 495 CD GLU A 61 25.165 17.482 -8.124 1.00 74.30 C +ATOM 496 OE1 GLU A 61 23.947 17.371 -7.846 1.00 68.38 O +ATOM 497 OE2 GLU A 61 25.872 18.438 -7.724 1.00 57.52 O +ATOM 498 N GLU A 62 29.471 14.618 -9.254 1.00 41.32 N +ATOM 499 CA GLU A 62 29.996 13.322 -8.808 1.00 39.64 C +ATOM 500 C GLU A 62 31.060 13.525 -7.727 1.00 39.28 C +ATOM 501 O GLU A 62 31.037 12.824 -6.716 1.00 37.81 O +ATOM 502 CB GLU A 62 30.553 12.525 -9.984 1.00 43.65 C +ATOM 503 CG GLU A 62 29.470 11.846 -10.796 1.00 54.66 C +ATOM 504 CD GLU A 62 29.798 11.602 -12.254 1.00 66.73 C +ATOM 505 OE1 GLU A 62 30.985 11.383 -12.586 1.00 53.96 O +ATOM 506 OE2 GLU A 62 28.856 11.658 -13.075 1.00 66.73 O +ATOM 507 N ILE A 63 31.950 14.513 -7.917 1.00 34.88 N +ATOM 508 CA ILE A 63 32.973 14.895 -6.952 1.00 31.93 C +ATOM 509 C ILE A 63 32.274 15.385 -5.669 1.00 33.79 C +ATOM 510 O ILE A 63 32.621 14.940 -4.580 1.00 32.36 O +ATOM 511 CB ILE A 63 33.944 15.949 -7.535 1.00 34.97 C +ATOM 512 CG1 ILE A 63 34.796 15.350 -8.683 1.00 37.03 C +ATOM 513 CG2 ILE A 63 34.845 16.549 -6.423 1.00 31.08 C +ATOM 514 CD1 ILE A 63 35.311 16.376 -9.711 1.00 39.31 C +ATOM 515 N ARG A 64 31.261 16.253 -5.811 1.00 31.24 N +ATOM 516 CA ARG A 64 30.465 16.760 -4.692 1.00 30.14 C +ATOM 517 C ARG A 64 29.818 15.590 -3.917 1.00 30.84 C +ATOM 518 O ARG A 64 29.842 15.591 -2.683 1.00 27.58 O +ATOM 519 CB ARG A 64 29.381 17.741 -5.213 1.00 33.72 C +ATOM 520 CG ARG A 64 28.681 18.501 -4.089 1.00 47.60 C +ATOM 521 CD ARG A 64 27.717 19.554 -4.595 1.00 62.44 C +ATOM 522 NE ARG A 64 26.315 19.195 -4.357 1.00 74.40 N +ATOM 523 CZ ARG A 64 25.650 19.422 -3.225 1.00 87.70 C +ATOM 524 NH1 ARG A 64 26.256 19.998 -2.193 1.00 80.30 N +ATOM 525 NH2 ARG A 64 24.377 19.068 -3.115 1.00 69.82 N +ATOM 526 N PHE A 65 29.298 14.573 -4.651 1.00 27.67 N +ATOM 527 CA PHE A 65 28.661 13.400 -4.058 1.00 28.96 C +ATOM 528 C PHE A 65 29.679 12.609 -3.234 1.00 33.07 C +ATOM 529 O PHE A 65 29.428 12.329 -2.055 1.00 31.63 O +ATOM 530 CB PHE A 65 28.003 12.520 -5.140 1.00 33.51 C +ATOM 531 CG PHE A 65 27.208 11.359 -4.592 1.00 36.50 C +ATOM 532 CD1 PHE A 65 25.895 11.536 -4.155 1.00 39.47 C +ATOM 533 CD2 PHE A 65 27.756 10.078 -4.544 1.00 40.06 C +ATOM 534 CE1 PHE A 65 25.158 10.460 -3.652 1.00 41.79 C +ATOM 535 CE2 PHE A 65 27.017 9.002 -4.033 1.00 44.34 C +ATOM 536 CZ PHE A 65 25.725 9.203 -3.583 1.00 42.61 C +ATOM 537 N ILE A 66 30.840 12.296 -3.846 1.00 29.43 N +ATOM 538 CA ILE A 66 31.919 11.548 -3.214 1.00 29.22 C +ATOM 539 C ILE A 66 32.407 12.278 -1.964 1.00 30.80 C +ATOM 540 O ILE A 66 32.504 11.656 -0.909 1.00 30.88 O +ATOM 541 CB ILE A 66 33.042 11.301 -4.253 1.00 34.42 C +ATOM 542 CG1 ILE A 66 32.631 10.164 -5.188 1.00 38.67 C +ATOM 543 CG2 ILE A 66 34.382 10.994 -3.598 1.00 35.22 C +ATOM 544 CD1 ILE A 66 33.234 10.257 -6.580 1.00 50.67 C +ATOM 545 N LEU A 67 32.656 13.588 -2.049 1.00 27.94 N +ATOM 546 CA LEU A 67 33.125 14.342 -0.894 1.00 27.01 C +ATOM 547 C LEU A 67 32.065 14.371 0.213 1.00 30.68 C +ATOM 548 O LEU A 67 32.420 14.188 1.376 1.00 29.08 O +ATOM 549 CB LEU A 67 33.558 15.751 -1.288 1.00 26.72 C +ATOM 550 CG LEU A 67 34.823 15.828 -2.165 1.00 32.21 C +ATOM 551 CD1 LEU A 67 35.108 17.257 -2.587 1.00 32.28 C +ATOM 552 CD2 LEU A 67 36.042 15.230 -1.461 1.00 33.30 C +ATOM 553 N ALA A 68 30.769 14.502 -0.150 1.00 27.94 N +ATOM 554 CA ALA A 68 29.663 14.500 0.827 1.00 26.94 C +ATOM 555 C ALA A 68 29.599 13.175 1.576 1.00 33.08 C +ATOM 556 O ALA A 68 29.434 13.173 2.791 1.00 32.92 O +ATOM 557 CB ALA A 68 28.331 14.758 0.125 1.00 28.27 C +ATOM 558 N HIS A 69 29.746 12.056 0.851 1.00 31.73 N +ATOM 559 CA HIS A 69 29.696 10.705 1.403 1.00 34.24 C +ATOM 560 C HIS A 69 30.847 10.481 2.436 1.00 34.77 C +ATOM 561 O HIS A 69 30.599 9.938 3.506 1.00 34.96 O +ATOM 562 CB HIS A 69 29.760 9.663 0.255 1.00 37.72 C +ATOM 563 CG HIS A 69 29.919 8.244 0.711 1.00 43.93 C +ATOM 564 ND1 HIS A 69 31.166 7.644 0.781 1.00 46.96 N +ATOM 565 CD2 HIS A 69 28.982 7.344 1.084 1.00 47.77 C +ATOM 566 CE1 HIS A 69 30.947 6.406 1.200 1.00 48.87 C +ATOM 567 NE2 HIS A 69 29.651 6.184 1.405 1.00 50.05 N +ATOM 568 N GLU A 70 32.077 10.877 2.104 1.00 27.84 N +ATOM 569 CA GLU A 70 33.216 10.681 3.008 1.00 26.68 C +ATOM 570 C GLU A 70 33.080 11.581 4.239 1.00 28.23 C +ATOM 571 O GLU A 70 33.299 11.115 5.353 1.00 28.49 O +ATOM 572 CB GLU A 70 34.575 10.897 2.293 1.00 26.95 C +ATOM 573 CG GLU A 70 34.821 9.931 1.136 1.00 29.54 C +ATOM 574 CD GLU A 70 34.616 8.453 1.427 1.00 40.78 C +ATOM 575 OE1 GLU A 70 35.091 7.972 2.480 1.00 41.23 O +ATOM 576 OE2 GLU A 70 33.976 7.772 0.597 1.00 40.07 O +ATOM 577 N LEU A 71 32.617 12.810 4.056 1.00 24.38 N +ATOM 578 CA LEU A 71 32.401 13.711 5.189 1.00 25.63 C +ATOM 579 C LEU A 71 31.268 13.205 6.106 1.00 29.99 C +ATOM 580 O LEU A 71 31.359 13.381 7.309 1.00 30.71 O +ATOM 581 CB LEU A 71 32.114 15.140 4.716 1.00 25.29 C +ATOM 582 CG LEU A 71 33.323 15.902 4.131 1.00 28.93 C +ATOM 583 CD1 LEU A 71 32.851 17.132 3.351 1.00 27.98 C +ATOM 584 CD2 LEU A 71 34.327 16.294 5.226 1.00 28.59 C +ATOM 585 N LEU A 72 30.254 12.517 5.550 1.00 26.76 N +ATOM 586 CA LEU A 72 29.181 11.942 6.371 1.00 28.01 C +ATOM 587 C LEU A 72 29.731 10.747 7.216 1.00 32.38 C +ATOM 588 O LEU A 72 29.221 10.490 8.309 1.00 32.56 O +ATOM 589 CB LEU A 72 27.967 11.567 5.518 1.00 28.50 C +ATOM 590 CG LEU A 72 27.064 12.772 5.119 1.00 31.71 C +ATOM 591 CD1 LEU A 72 26.019 12.350 4.065 1.00 32.91 C +ATOM 592 CD2 LEU A 72 26.359 13.378 6.337 1.00 28.83 C +ATOM 593 N HIS A 73 30.808 10.076 6.744 1.00 27.98 N +ATOM 594 CA HIS A 73 31.499 9.055 7.538 1.00 30.83 C +ATOM 595 C HIS A 73 32.254 9.743 8.699 1.00 35.92 C +ATOM 596 O HIS A 73 32.237 9.252 9.829 1.00 35.68 O +ATOM 597 CB HIS A 73 32.450 8.193 6.684 1.00 32.02 C +ATOM 598 CG HIS A 73 31.732 7.120 5.933 1.00 37.16 C +ATOM 599 ND1 HIS A 73 31.068 6.094 6.599 1.00 41.82 N +ATOM 600 CD2 HIS A 73 31.555 6.962 4.601 1.00 37.97 C +ATOM 601 CE1 HIS A 73 30.522 5.350 5.654 1.00 42.18 C +ATOM 602 NE2 HIS A 73 30.786 5.831 4.438 1.00 40.88 N +ATOM 603 N LEU A 74 32.838 10.923 8.434 1.00 33.92 N +ATOM 604 CA LEU A 74 33.502 11.719 9.478 1.00 35.62 C +ATOM 605 C LEU A 74 32.473 12.171 10.524 1.00 36.62 C +ATOM 606 O LEU A 74 32.720 12.076 11.727 1.00 38.12 O +ATOM 607 CB LEU A 74 34.200 12.937 8.845 1.00 34.96 C +ATOM 608 CG LEU A 74 35.131 13.749 9.739 1.00 42.45 C +ATOM 609 CD1 LEU A 74 36.495 13.078 9.871 1.00 45.18 C +ATOM 610 CD2 LEU A 74 35.331 15.123 9.180 1.00 43.09 C +ATOM 611 N LYS A 75 31.284 12.567 10.057 1.00 29.61 N +ATOM 612 CA LYS A 75 30.223 13.053 10.921 1.00 29.24 C +ATOM 613 C LYS A 75 29.547 11.946 11.740 1.00 34.79 C +ATOM 614 O LYS A 75 29.302 12.150 12.927 1.00 34.53 O +ATOM 615 CB LYS A 75 29.162 13.780 10.071 1.00 28.68 C +ATOM 616 CG LYS A 75 28.115 14.519 10.885 1.00 35.09 C +ATOM 617 CD LYS A 75 27.262 15.420 10.019 1.00 39.78 C +ATOM 618 CE LYS A 75 26.355 16.278 10.869 1.00 41.22 C +ATOM 619 NZ LYS A 75 25.516 17.170 10.015 1.00 40.44 N +ATOM 620 N TYR A 76 29.197 10.811 11.109 1.00 32.49 N +ATOM 621 CA TYR A 76 28.379 9.799 11.766 1.00 34.41 C +ATOM 622 C TYR A 76 29.051 8.476 12.122 1.00 41.86 C +ATOM 623 O TYR A 76 28.518 7.756 12.977 1.00 43.19 O +ATOM 624 CB TYR A 76 27.162 9.501 10.894 1.00 35.13 C +ATOM 625 CG TYR A 76 26.168 10.636 10.900 1.00 35.67 C +ATOM 626 CD1 TYR A 76 25.389 10.899 12.024 1.00 39.38 C +ATOM 627 CD2 TYR A 76 26.005 11.453 9.786 1.00 33.56 C +ATOM 628 CE1 TYR A 76 24.482 11.956 12.044 1.00 38.86 C +ATOM 629 CE2 TYR A 76 25.070 12.486 9.781 1.00 33.86 C +ATOM 630 CZ TYR A 76 24.311 12.735 10.913 1.00 41.66 C +ATOM 631 OH TYR A 76 23.385 13.754 10.932 1.00 41.85 O +ATOM 632 N GLY A 77 30.165 8.148 11.487 1.00 29.76 N +ATOM 633 CA GLY A 77 30.835 6.889 11.780 1.00 30.92 C +ATOM 634 C GLY A 77 30.947 5.935 10.608 1.00 36.41 C +ATOM 635 O GLY A 77 30.759 6.328 9.458 1.00 35.96 O +ATOM 636 N LYS A 78 31.235 4.667 10.908 1.00 35.15 N +ATOM 637 CA LYS A 78 31.523 3.604 9.938 1.00 36.54 C +ATOM 638 C LYS A 78 30.321 3.204 9.064 1.00 42.92 C +ATOM 639 O LYS A 78 30.463 3.082 7.845 1.00 43.18 O +ATOM 640 CB LYS A 78 32.058 2.368 10.684 1.00 39.17 C +ATOM 641 CG LYS A 78 32.662 1.292 9.788 1.00 50.83 C +ATOM 642 CD LYS A 78 33.059 0.068 10.597 1.00 58.99 C +ATOM 643 CE LYS A 78 33.906 -0.922 9.830 1.00 73.09 C +ATOM 644 NZ LYS A 78 33.146 -1.590 8.742 1.00 87.03 N +ATOM 645 N TYR A 79 29.172 2.951 9.680 1.00 39.88 N +ATOM 646 CA TYR A 79 28.007 2.459 8.965 1.00 40.15 C +ATOM 647 C TYR A 79 27.022 3.586 8.608 1.00 46.25 C +ATOM 648 O TYR A 79 26.938 4.608 9.306 1.00 44.01 O +ATOM 649 CB TYR A 79 27.339 1.330 9.774 1.00 41.26 C +ATOM 650 CG TYR A 79 28.296 0.179 10.054 1.00 43.08 C +ATOM 651 CD1 TYR A 79 28.896 -0.526 9.014 1.00 45.12 C +ATOM 652 CD2 TYR A 79 28.637 -0.172 11.357 1.00 43.64 C +ATOM 653 CE1 TYR A 79 29.806 -1.551 9.261 1.00 46.85 C +ATOM 654 CE2 TYR A 79 29.503 -1.236 11.618 1.00 44.79 C +ATOM 655 CZ TYR A 79 30.099 -1.912 10.565 1.00 54.06 C +ATOM 656 OH TYR A 79 30.986 -2.941 10.804 1.00 57.12 O +ATOM 657 N HIS A 80 26.321 3.394 7.468 1.00 45.03 N +ATOM 658 CA HIS A 80 25.330 4.305 6.886 1.00 45.32 C +ATOM 659 C HIS A 80 24.024 4.245 7.661 1.00 48.25 C +ATOM 660 O HIS A 80 23.006 3.794 7.143 1.00 47.53 O +ATOM 661 CB HIS A 80 25.084 3.992 5.388 1.00 47.33 C +ATOM 662 CG HIS A 80 26.322 3.957 4.537 1.00 51.27 C +ATOM 663 ND1 HIS A 80 26.416 3.118 3.441 1.00 54.49 N +ATOM 664 CD2 HIS A 80 27.467 4.668 4.634 1.00 52.30 C +ATOM 665 CE1 HIS A 80 27.613 3.342 2.913 1.00 53.28 C +ATOM 666 NE2 HIS A 80 28.278 4.269 3.591 1.00 52.44 N +ATOM 667 N ILE A 81 24.057 4.734 8.904 1.00 45.33 N +ATOM 668 CA ILE A 81 22.911 4.821 9.805 1.00 45.59 C +ATOM 669 C ILE A 81 21.830 5.706 9.152 1.00 51.98 C +ATOM 670 O ILE A 81 22.127 6.425 8.193 1.00 52.91 O +ATOM 671 CB ILE A 81 23.322 5.321 11.225 1.00 47.69 C +ATOM 672 CG1 ILE A 81 24.020 6.707 11.182 1.00 46.67 C +ATOM 673 CG2 ILE A 81 24.181 4.263 11.948 1.00 47.63 C +ATOM 674 CD1 ILE A 81 24.006 7.483 12.495 1.00 55.89 C +ATOM 675 N ASN A 82 20.586 5.646 9.646 1.00 47.83 N +ATOM 676 CA ASN A 82 19.475 6.399 9.063 1.00 47.44 C +ATOM 677 C ASN A 82 19.836 7.869 8.799 1.00 47.36 C +ATOM 678 O ASN A 82 19.639 8.339 7.676 1.00 45.38 O +ATOM 679 CB ASN A 82 18.230 6.300 9.939 1.00 50.67 C +ATOM 680 CG ASN A 82 17.702 4.892 10.041 1.00 85.82 C +ATOM 681 OD1 ASN A 82 17.316 4.276 9.044 1.00 81.68 O +ATOM 682 ND2 ASN A 82 17.705 4.340 11.248 1.00 82.17 N +ATOM 683 N GLU A 83 20.400 8.565 9.816 1.00 41.96 N +ATOM 684 CA GLU A 83 20.773 9.978 9.757 1.00 40.24 C +ATOM 685 C GLU A 83 21.751 10.283 8.625 1.00 41.56 C +ATOM 686 O GLU A 83 21.688 11.377 8.061 1.00 39.93 O +ATOM 687 CB GLU A 83 21.362 10.438 11.083 1.00 41.16 C +ATOM 688 CG GLU A 83 20.557 11.540 11.746 1.00 57.21 C +ATOM 689 CD GLU A 83 21.128 12.067 13.050 1.00 88.43 C +ATOM 690 OE1 GLU A 83 21.115 11.316 14.054 1.00 94.13 O +ATOM 691 OE2 GLU A 83 21.574 13.238 13.072 1.00 81.63 O +ATOM 692 N PHE A 84 22.625 9.311 8.281 1.00 37.45 N +ATOM 693 CA PHE A 84 23.624 9.416 7.218 1.00 36.45 C +ATOM 694 C PHE A 84 22.919 9.487 5.851 1.00 40.55 C +ATOM 695 O PHE A 84 23.110 10.458 5.107 1.00 38.62 O +ATOM 696 CB PHE A 84 24.609 8.210 7.292 1.00 37.97 C +ATOM 697 CG PHE A 84 25.764 8.152 6.312 1.00 38.25 C +ATOM 698 CD1 PHE A 84 25.534 8.013 4.944 1.00 40.99 C +ATOM 699 CD2 PHE A 84 27.077 8.119 6.764 1.00 39.18 C +ATOM 700 CE1 PHE A 84 26.599 7.957 4.042 1.00 41.45 C +ATOM 701 CE2 PHE A 84 28.138 8.014 5.867 1.00 41.75 C +ATOM 702 CZ PHE A 84 27.892 7.959 4.512 1.00 40.26 C +ATOM 703 N GLU A 85 22.129 8.460 5.516 1.00 39.18 N +ATOM 704 CA GLU A 85 21.412 8.383 4.237 1.00 40.22 C +ATOM 705 C GLU A 85 20.386 9.521 4.033 1.00 39.47 C +ATOM 706 O GLU A 85 20.127 9.889 2.886 1.00 38.26 O +ATOM 707 CB GLU A 85 20.697 7.027 4.085 1.00 43.70 C +ATOM 708 CG GLU A 85 21.099 6.292 2.812 1.00 56.41 C +ATOM 709 CD GLU A 85 22.418 5.547 2.861 1.00 83.60 C +ATOM 710 OE1 GLU A 85 23.476 6.195 2.695 1.00 89.81 O +ATOM 711 OE2 GLU A 85 22.394 4.305 3.020 1.00 83.66 O +ATOM 712 N GLU A 86 19.783 10.047 5.112 1.00 34.45 N +ATOM 713 CA GLU A 86 18.792 11.122 4.978 1.00 34.15 C +ATOM 714 C GLU A 86 19.505 12.436 4.626 1.00 36.09 C +ATOM 715 O GLU A 86 19.013 13.181 3.782 1.00 37.06 O +ATOM 716 CB GLU A 86 17.905 11.261 6.228 1.00 35.66 C +ATOM 717 CG GLU A 86 16.884 10.131 6.393 1.00 46.42 C +ATOM 718 CD GLU A 86 15.841 9.907 5.303 1.00 60.29 C +ATOM 719 OE1 GLU A 86 15.331 10.898 4.732 1.00 45.51 O +ATOM 720 OE2 GLU A 86 15.510 8.730 5.040 1.00 58.34 O +ATOM 721 N GLU A 87 20.676 12.687 5.226 1.00 30.40 N +ATOM 722 CA GLU A 87 21.497 13.864 4.940 1.00 29.53 C +ATOM 723 C GLU A 87 22.005 13.822 3.508 1.00 33.45 C +ATOM 724 O GLU A 87 21.988 14.839 2.818 1.00 32.94 O +ATOM 725 CB GLU A 87 22.685 13.962 5.906 1.00 29.86 C +ATOM 726 CG GLU A 87 22.305 14.519 7.257 1.00 38.42 C +ATOM 727 CD GLU A 87 23.255 15.566 7.784 1.00 45.83 C +ATOM 728 OE1 GLU A 87 23.807 15.357 8.884 1.00 31.87 O +ATOM 729 OE2 GLU A 87 23.448 16.597 7.103 1.00 32.66 O +ATOM 730 N LEU A 88 22.440 12.643 3.060 1.00 31.22 N +ATOM 731 CA LEU A 88 22.912 12.442 1.692 1.00 31.97 C +ATOM 732 C LEU A 88 21.770 12.688 0.692 1.00 34.41 C +ATOM 733 O LEU A 88 22.001 13.338 -0.326 1.00 34.70 O +ATOM 734 CB LEU A 88 23.500 11.026 1.517 1.00 32.29 C +ATOM 735 CG LEU A 88 24.393 10.801 0.299 1.00 36.68 C +ATOM 736 CD1 LEU A 88 25.550 11.799 0.253 1.00 34.65 C +ATOM 737 CD2 LEU A 88 24.919 9.366 0.274 1.00 39.60 C +ATOM 738 N LEU A 89 20.547 12.216 0.998 1.00 29.86 N +ATOM 739 CA LEU A 89 19.386 12.433 0.122 1.00 31.22 C +ATOM 740 C LEU A 89 18.972 13.936 0.111 1.00 33.27 C +ATOM 741 O LEU A 89 18.564 14.469 -0.920 1.00 32.40 O +ATOM 742 CB LEU A 89 18.183 11.543 0.540 1.00 33.11 C +ATOM 743 CG LEU A 89 16.983 11.558 -0.420 1.00 40.46 C +ATOM 744 CD1 LEU A 89 17.312 10.867 -1.732 1.00 40.84 C +ATOM 745 CD2 LEU A 89 15.724 10.946 0.234 1.00 46.70 C +ATOM 746 N PHE A 90 19.092 14.599 1.263 1.00 28.75 N +ATOM 747 CA PHE A 90 18.803 16.018 1.397 1.00 27.36 C +ATOM 748 C PHE A 90 19.732 16.823 0.451 1.00 30.64 C +ATOM 749 O PHE A 90 19.265 17.715 -0.237 1.00 29.79 O +ATOM 750 CB PHE A 90 18.982 16.456 2.856 1.00 27.44 C +ATOM 751 CG PHE A 90 18.550 17.878 3.122 1.00 27.97 C +ATOM 752 CD1 PHE A 90 17.199 18.195 3.292 1.00 28.36 C +ATOM 753 CD2 PHE A 90 19.492 18.894 3.253 1.00 27.74 C +ATOM 754 CE1 PHE A 90 16.800 19.509 3.539 1.00 28.64 C +ATOM 755 CE2 PHE A 90 19.088 20.214 3.491 1.00 29.49 C +ATOM 756 CZ PHE A 90 17.748 20.505 3.663 1.00 27.42 C +ATOM 757 N LEU A 91 21.027 16.495 0.414 1.00 28.41 N +ATOM 758 CA LEU A 91 21.963 17.171 -0.490 1.00 29.53 C +ATOM 759 C LEU A 91 21.760 16.747 -1.944 1.00 32.16 C +ATOM 760 O LEU A 91 21.980 17.557 -2.848 1.00 30.44 O +ATOM 761 CB LEU A 91 23.417 16.887 -0.108 1.00 29.79 C +ATOM 762 CG LEU A 91 23.934 17.246 1.290 1.00 35.63 C +ATOM 763 CD1 LEU A 91 25.442 17.079 1.334 1.00 35.42 C +ATOM 764 CD2 LEU A 91 23.634 18.658 1.662 1.00 38.84 C +ATOM 765 N PHE A 92 21.372 15.472 -2.171 1.00 28.92 N +ATOM 766 CA PHE A 92 21.217 14.927 -3.525 1.00 29.78 C +ATOM 767 C PHE A 92 19.889 14.209 -3.741 1.00 35.55 C +ATOM 768 O PHE A 92 19.810 12.977 -3.584 1.00 34.01 O +ATOM 769 CB PHE A 92 22.373 13.977 -3.865 1.00 30.95 C +ATOM 770 CG PHE A 92 23.719 14.608 -3.667 1.00 32.55 C +ATOM 771 CD1 PHE A 92 24.292 15.384 -4.662 1.00 35.70 C +ATOM 772 CD2 PHE A 92 24.413 14.436 -2.478 1.00 34.92 C +ATOM 773 CE1 PHE A 92 25.545 15.953 -4.480 1.00 36.89 C +ATOM 774 CE2 PHE A 92 25.656 15.022 -2.290 1.00 37.01 C +ATOM 775 CZ PHE A 92 26.213 15.779 -3.289 1.00 36.12 C +ATOM 776 N PRO A 93 18.841 14.963 -4.153 1.00 35.93 N +ATOM 777 CA PRO A 93 17.558 14.313 -4.492 1.00 38.31 C +ATOM 778 C PRO A 93 17.727 13.375 -5.708 1.00 46.88 C +ATOM 779 O PRO A 93 17.085 12.332 -5.746 1.00 47.66 O +ATOM 780 CB PRO A 93 16.631 15.493 -4.796 1.00 40.29 C +ATOM 781 CG PRO A 93 17.534 16.592 -5.238 1.00 43.51 C +ATOM 782 CD PRO A 93 18.793 16.421 -4.408 1.00 37.76 C +ATOM 783 N ASN A 94 18.669 13.704 -6.638 1.00 45.38 N +ATOM 784 CA ASN A 94 19.021 12.932 -7.855 1.00 46.47 C +ATOM 785 C ASN A 94 20.130 11.897 -7.585 1.00 49.64 C +ATOM 786 O ASN A 94 20.864 11.537 -8.508 1.00 50.13 O +ATOM 787 CB ASN A 94 19.467 13.880 -8.995 1.00 46.32 C +ATOM 788 CG ASN A 94 20.709 14.708 -8.691 1.00 71.89 C +ATOM 789 OD1 ASN A 94 21.036 15.021 -7.535 1.00 57.75 O +ATOM 790 ND2 ASN A 94 21.428 15.091 -9.736 1.00 70.51 N +ATOM 791 N LYS A 95 20.231 11.420 -6.329 1.00 44.32 N +ATOM 792 CA LYS A 95 21.185 10.435 -5.814 1.00 43.15 C +ATOM 793 C LYS A 95 21.339 9.211 -6.748 1.00 49.03 C +ATOM 794 O LYS A 95 22.459 8.776 -7.018 1.00 47.66 O +ATOM 795 CB LYS A 95 20.718 9.982 -4.422 1.00 44.77 C +ATOM 796 CG LYS A 95 21.725 9.169 -3.621 1.00 47.55 C +ATOM 797 CD LYS A 95 21.507 9.336 -2.126 1.00 51.48 C +ATOM 798 CE LYS A 95 20.456 8.429 -1.535 1.00 67.21 C +ATOM 799 NZ LYS A 95 20.417 8.537 -0.050 1.00 76.51 N +ATOM 800 N GLU A 96 20.212 8.671 -7.219 1.00 48.53 N +ATOM 801 CA GLU A 96 20.094 7.506 -8.106 1.00 49.79 C +ATOM 802 C GLU A 96 20.749 7.757 -9.488 1.00 51.61 C +ATOM 803 O GLU A 96 21.483 6.890 -9.948 1.00 50.31 O +ATOM 804 CB GLU A 96 18.605 7.083 -8.257 1.00 53.22 C +ATOM 805 CG GLU A 96 17.634 8.181 -8.678 1.00 67.61 C +ATOM 806 CD GLU A 96 16.988 8.985 -7.565 1.00 94.35 C +ATOM 807 OE1 GLU A 96 17.694 9.808 -6.937 1.00 74.33 O +ATOM 808 OE2 GLU A 96 15.760 8.836 -7.360 1.00 96.88 O +ATOM 809 N ALA A 97 20.510 8.935 -10.125 1.00 47.98 N +ATOM 810 CA ALA A 97 21.118 9.317 -11.409 1.00 47.83 C +ATOM 811 C ALA A 97 22.638 9.559 -11.282 1.00 50.69 C +ATOM 812 O ALA A 97 23.375 9.292 -12.239 1.00 50.14 O +ATOM 813 CB ALA A 97 20.454 10.559 -11.968 1.00 48.56 C +ATOM 814 N ILE A 98 23.101 10.090 -10.121 1.00 45.36 N +ATOM 815 CA ILE A 98 24.529 10.314 -9.878 1.00 43.55 C +ATOM 816 C ILE A 98 25.240 8.959 -9.858 1.00 47.95 C +ATOM 817 O ILE A 98 26.257 8.789 -10.539 1.00 45.85 O +ATOM 818 CB ILE A 98 24.818 11.128 -8.582 1.00 44.99 C +ATOM 819 CG1 ILE A 98 24.367 12.591 -8.754 1.00 45.76 C +ATOM 820 CG2 ILE A 98 26.320 11.064 -8.215 1.00 41.41 C +ATOM 821 CD1 ILE A 98 24.007 13.318 -7.478 1.00 45.39 C +ATOM 822 N LEU A 99 24.691 8.005 -9.083 1.00 47.16 N +ATOM 823 CA LEU A 99 25.263 6.671 -8.934 1.00 49.09 C +ATOM 824 C LEU A 99 25.303 5.876 -10.265 1.00 55.72 C +ATOM 825 O LEU A 99 26.278 5.153 -10.485 1.00 55.77 O +ATOM 826 CB LEU A 99 24.522 5.876 -7.848 1.00 49.85 C +ATOM 827 CG LEU A 99 24.839 6.287 -6.400 1.00 52.60 C +ATOM 828 CD1 LEU A 99 23.771 5.824 -5.468 1.00 53.06 C +ATOM 829 CD2 LEU A 99 26.165 5.717 -5.939 1.00 56.74 C +ATOM 830 N ILE A 100 24.315 6.054 -11.173 1.00 53.40 N +ATOM 831 CA ILE A 100 24.347 5.327 -12.451 1.00 54.62 C +ATOM 832 C ILE A 100 25.467 5.901 -13.358 1.00 57.39 C +ATOM 833 O ILE A 100 26.128 5.123 -14.051 1.00 56.77 O +ATOM 834 CB ILE A 100 22.980 5.206 -13.193 1.00 59.62 C +ATOM 835 CG1 ILE A 100 22.510 6.528 -13.809 1.00 60.30 C +ATOM 836 CG2 ILE A 100 21.886 4.588 -12.306 1.00 60.95 C +ATOM 837 CD1 ILE A 100 22.529 6.496 -15.297 1.00 73.03 C +ATOM 838 N ASN A 101 25.681 7.237 -13.345 1.00 53.16 N +ATOM 839 CA ASN A 101 26.759 7.850 -14.127 1.00 53.72 C +ATOM 840 C ASN A 101 28.105 7.460 -13.524 1.00 57.53 C +ATOM 841 O ASN A 101 29.068 7.231 -14.264 1.00 56.93 O +ATOM 842 CB ASN A 101 26.614 9.381 -14.193 1.00 58.13 C +ATOM 843 CG ASN A 101 25.547 9.902 -15.143 1.00 82.16 C +ATOM 844 OD1 ASN A 101 24.617 9.199 -15.552 1.00 76.06 O +ATOM 845 ND2 ASN A 101 25.648 11.171 -15.496 1.00 75.70 N +ATOM 846 N LEU A 102 28.155 7.355 -12.167 1.00 53.58 N +ATOM 847 CA LEU A 102 29.343 6.970 -11.391 1.00 52.47 C +ATOM 848 C LEU A 102 29.795 5.536 -11.747 1.00 53.16 C +ATOM 849 O LEU A 102 30.976 5.335 -12.037 1.00 51.93 O +ATOM 850 CB LEU A 102 29.050 7.092 -9.880 1.00 52.20 C +ATOM 851 CG LEU A 102 30.229 7.395 -8.944 1.00 56.75 C +ATOM 852 CD1 LEU A 102 30.869 8.729 -9.269 1.00 57.06 C +ATOM 853 CD2 LEU A 102 29.774 7.428 -7.493 1.00 57.72 C +ATOM 854 N ILE A 103 28.843 4.572 -11.782 1.00 48.37 N +ATOM 855 CA ILE A 103 29.096 3.162 -12.110 1.00 49.88 C +ATOM 856 C ILE A 103 29.591 3.039 -13.571 1.00 52.53 C +ATOM 857 O ILE A 103 30.620 2.401 -13.803 1.00 51.56 O +ATOM 858 CB ILE A 103 27.834 2.284 -11.828 1.00 54.52 C +ATOM 859 CG1 ILE A 103 27.619 2.108 -10.301 1.00 54.68 C +ATOM 860 CG2 ILE A 103 27.910 0.911 -12.537 1.00 56.59 C +ATOM 861 CD1 ILE A 103 26.159 1.902 -9.850 1.00 58.72 C +ATOM 862 N ASN A 104 28.880 3.694 -14.527 1.00 48.38 N +ATOM 863 CA ASN A 104 29.213 3.713 -15.965 1.00 48.26 C +ATOM 864 C ASN A 104 30.654 4.243 -16.243 1.00 50.60 C +ATOM 865 O ASN A 104 31.305 3.788 -17.186 1.00 49.73 O +ATOM 866 CB ASN A 104 28.186 4.576 -16.733 1.00 42.21 C +ATOM 867 CG ASN A 104 28.058 4.211 -18.199 1.00 53.35 C +ATOM 868 OD1 ASN A 104 28.253 3.064 -18.600 1.00 48.12 O +ATOM 869 ND2 ASN A 104 27.691 5.169 -19.035 1.00 43.30 N +ATOM 870 N LYS A 105 31.127 5.193 -15.419 1.00 48.17 N +ATOM 871 CA LYS A 105 32.465 5.798 -15.507 1.00 49.49 C +ATOM 872 C LYS A 105 33.551 4.908 -14.883 1.00 58.34 C +ATOM 873 O LYS A 105 34.711 4.969 -15.310 1.00 57.60 O +ATOM 874 CB LYS A 105 32.478 7.185 -14.848 1.00 49.79 C +ATOM 875 CG LYS A 105 31.888 8.239 -15.770 1.00 49.33 C +ATOM 876 CD LYS A 105 31.593 9.525 -15.069 1.00 48.24 C +ATOM 877 CE LYS A 105 31.025 10.502 -16.061 1.00 54.82 C +ATOM 878 NZ LYS A 105 31.216 11.913 -15.645 1.00 55.44 N +ATOM 879 N LEU A 106 33.177 4.090 -13.877 1.00 58.59 N +ATOM 880 CA LEU A 106 34.088 3.158 -13.215 1.00 60.50 C +ATOM 881 C LEU A 106 34.370 1.982 -14.132 1.00 69.38 C +ATOM 882 O LEU A 106 35.399 1.331 -13.976 1.00 70.07 O +ATOM 883 CB LEU A 106 33.517 2.690 -11.876 1.00 60.97 C +ATOM 884 CG LEU A 106 34.214 3.241 -10.636 1.00 65.65 C +ATOM 885 CD1 LEU A 106 33.779 4.673 -10.337 1.00 65.08 C +ATOM 886 CD2 LEU A 106 33.947 2.361 -9.442 1.00 69.45 C +ATOM 887 N HIS A 107 33.483 1.751 -15.135 1.00 68.87 N +ATOM 888 CA HIS A 107 33.642 0.734 -16.180 1.00 70.62 C +ATOM 889 C HIS A 107 34.772 1.158 -17.138 1.00 76.72 C +ATOM 890 O HIS A 107 35.199 0.354 -17.968 1.00 77.97 O +ATOM 891 CB HIS A 107 32.320 0.500 -16.940 1.00 72.00 C +ATOM 892 CG HIS A 107 31.287 -0.262 -16.168 1.00 75.92 C +ATOM 893 ND1 HIS A 107 31.551 -1.514 -15.639 1.00 78.43 N +ATOM 894 CD2 HIS A 107 30.000 0.059 -15.902 1.00 77.83 C +ATOM 895 CE1 HIS A 107 30.434 -1.897 -15.045 1.00 78.31 C +ATOM 896 NE2 HIS A 107 29.472 -0.988 -15.180 1.00 78.36 N +ATOM 897 N GLN A 108 35.254 2.429 -16.991 1.00 73.35 N +ATOM 898 CA GLN A 108 36.385 3.100 -17.662 1.00 73.33 C +ATOM 899 C GLN A 108 36.092 3.446 -19.137 1.00 78.82 C +ATOM 900 O GLN A 108 35.030 4.003 -19.427 1.00 78.61 O +ATOM 901 CB GLN A 108 37.695 2.282 -17.534 1.00 75.15 C +ATOM 902 CG GLN A 108 38.204 2.116 -16.103 1.00 86.69 C +ATOM 903 CD GLN A 108 38.594 0.689 -15.802 1.00103.60 C +ATOM 904 OE1 GLN A 108 39.437 0.086 -16.480 1.00 97.60 O +ATOM 905 NE2 GLN A 108 38.002 0.125 -14.759 1.00 95.65 N +ATOM 906 N LYS A 109 37.071 3.186 -20.043 1.00 76.40 N +ATOM 907 CA LYS A 109 37.030 3.459 -21.483 1.00104.55 C +ATOM 908 C LYS A 109 36.330 2.325 -22.234 1.00140.94 C +ATOM 909 O LYS A 109 36.033 2.452 -23.422 1.00105.84 O +ATOM 910 CB LYS A 109 38.462 3.651 -22.021 1.00107.14 C +ATOM 911 CG LYS A 109 38.913 5.104 -22.078 1.00116.05 C +ATOM 912 CD LYS A 109 40.429 5.262 -22.007 1.00123.69 C +ATOM 913 CE LYS A 109 40.882 5.793 -20.667 1.00128.38 C +ATOM 914 NZ LYS A 109 42.291 6.266 -20.702 1.00134.06 N +TER 915 LYS A 109 +END diff --git a/bench/main_benchmark/structures/SFB_FS_SELECASE_4QHFA_4QHGA/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_SELECASE_4QHFA_4QHGA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e29af0dd23bda9a3c011295b861d7fbe53ec5156 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_SELECASE_4QHFA_4QHGA/state_b.pdb @@ -0,0 +1,916 @@ +ATOM 1 N ASP A 3 -6.309 -15.433 14.790 1.00 73.92 N +ATOM 2 CA ASP A 3 -5.967 -14.274 15.620 1.00 70.84 C +ATOM 3 C ASP A 3 -4.814 -13.468 15.009 1.00 70.93 C +ATOM 4 O ASP A 3 -4.911 -12.243 14.958 1.00 68.34 O +ATOM 5 CB ASP A 3 -5.633 -14.701 17.063 1.00 72.85 C +ATOM 6 CG ASP A 3 -6.835 -15.111 17.901 1.00 87.62 C +ATOM 7 OD1 ASP A 3 -7.948 -15.222 17.335 1.00 90.22 O +ATOM 8 OD2 ASP A 3 -6.662 -15.329 19.120 1.00 93.78 O +ATOM 9 N ARG A 4 -3.745 -14.148 14.530 1.00 67.52 N +ATOM 10 CA ARG A 4 -2.588 -13.515 13.870 1.00 65.67 C +ATOM 11 C ARG A 4 -3.015 -12.905 12.519 1.00 67.40 C +ATOM 12 O ARG A 4 -2.482 -11.865 12.115 1.00 65.83 O +ATOM 13 CB ARG A 4 -1.441 -14.534 13.674 1.00 67.00 C +ATOM 14 CG ARG A 4 -0.070 -13.926 13.337 1.00 74.72 C +ATOM 15 CD ARG A 4 0.554 -13.175 14.507 1.00 81.55 C +ATOM 16 NE ARG A 4 1.945 -12.785 14.255 1.00 84.96 N +ATOM 17 CZ ARG A 4 2.319 -11.654 13.662 1.00 91.84 C +ATOM 18 NH1 ARG A 4 1.408 -10.793 13.222 1.00 65.42 N +ATOM 19 NH2 ARG A 4 3.606 -11.385 13.487 1.00 82.96 N +ATOM 20 N LYS A 5 -3.987 -13.543 11.843 1.00 63.59 N +ATOM 21 CA LYS A 5 -4.548 -13.069 10.577 1.00 63.40 C +ATOM 22 C LYS A 5 -5.340 -11.770 10.827 1.00 63.43 C +ATOM 23 O LYS A 5 -5.195 -10.821 10.059 1.00 62.16 O +ATOM 24 CB LYS A 5 -5.420 -14.160 9.923 1.00 68.83 C +ATOM 25 CG LYS A 5 -5.923 -13.834 8.513 1.00 87.81 C +ATOM 26 CD LYS A 5 -4.882 -14.090 7.417 1.00 98.58 C +ATOM 27 CE LYS A 5 -5.423 -13.812 6.034 1.00110.38 C +ATOM 28 NZ LYS A 5 -5.663 -12.362 5.799 1.00117.13 N +ATOM 29 N ILE A 6 -6.121 -11.717 11.933 1.00 57.96 N +ATOM 30 CA ILE A 6 -6.902 -10.546 12.364 1.00 55.69 C +ATOM 31 C ILE A 6 -5.925 -9.407 12.759 1.00 56.78 C +ATOM 32 O ILE A 6 -6.214 -8.245 12.469 1.00 55.37 O +ATOM 33 CB ILE A 6 -7.899 -10.929 13.504 1.00 58.69 C +ATOM 34 CG1 ILE A 6 -9.044 -11.815 12.944 1.00 61.36 C +ATOM 35 CG2 ILE A 6 -8.464 -9.690 14.241 1.00 56.73 C +ATOM 36 CD1 ILE A 6 -9.858 -12.593 13.986 1.00 66.10 C +ATOM 37 N LEU A 7 -4.765 -9.746 13.368 1.00 52.37 N +ATOM 38 CA LEU A 7 -3.727 -8.776 13.744 1.00 50.76 C +ATOM 39 C LEU A 7 -3.187 -8.039 12.502 1.00 51.81 C +ATOM 40 O LEU A 7 -3.140 -6.805 12.483 1.00 49.24 O +ATOM 41 CB LEU A 7 -2.572 -9.473 14.492 1.00 51.45 C +ATOM 42 CG LEU A 7 -2.549 -9.291 16.002 1.00 56.71 C +ATOM 43 CD1 LEU A 7 -1.906 -10.476 16.682 1.00 58.41 C +ATOM 44 CD2 LEU A 7 -1.831 -8.005 16.395 1.00 58.72 C +ATOM 45 N ASN A 8 -2.840 -8.805 11.446 1.00 48.18 N +ATOM 46 CA ASN A 8 -2.327 -8.258 10.193 1.00 46.68 C +ATOM 47 C ASN A 8 -3.436 -7.555 9.415 1.00 49.05 C +ATOM 48 O ASN A 8 -3.144 -6.583 8.716 1.00 48.19 O +ATOM 49 CB ASN A 8 -1.675 -9.349 9.349 1.00 49.45 C +ATOM 50 CG ASN A 8 -0.376 -9.899 9.910 1.00 73.23 C +ATOM 51 OD1 ASN A 8 0.377 -9.225 10.625 1.00 63.61 O +ATOM 52 ND2 ASN A 8 -0.058 -11.133 9.554 1.00 68.62 N +ATOM 53 N GLU A 9 -4.706 -8.007 9.559 1.00 45.09 N +ATOM 54 CA GLU A 9 -5.842 -7.378 8.879 1.00 45.51 C +ATOM 55 C GLU A 9 -6.133 -6.000 9.489 1.00 46.74 C +ATOM 56 O GLU A 9 -6.306 -5.035 8.745 1.00 46.82 O +ATOM 57 CB GLU A 9 -7.090 -8.267 8.915 1.00 48.95 C +ATOM 58 CG GLU A 9 -7.089 -9.393 7.894 1.00 60.03 C +ATOM 59 CD GLU A 9 -8.146 -10.471 8.074 1.00 78.08 C +ATOM 60 OE1 GLU A 9 -8.146 -11.432 7.271 1.00 76.96 O +ATOM 61 OE2 GLU A 9 -8.977 -10.357 9.006 1.00 64.36 O +ATOM 62 N ILE A 10 -6.132 -5.892 10.830 1.00 42.03 N +ATOM 63 CA ILE A 10 -6.333 -4.607 11.505 1.00 39.70 C +ATOM 64 C ILE A 10 -5.168 -3.706 11.128 1.00 42.79 C +ATOM 65 O ILE A 10 -5.416 -2.597 10.671 1.00 42.05 O +ATOM 66 CB ILE A 10 -6.541 -4.711 13.030 1.00 41.20 C +ATOM 67 CG1 ILE A 10 -7.862 -5.446 13.359 1.00 42.60 C +ATOM 68 CG2 ILE A 10 -6.547 -3.307 13.648 1.00 39.99 C +ATOM 69 CD1 ILE A 10 -7.968 -5.961 14.823 1.00 46.74 C +ATOM 70 N LEU A 11 -3.918 -4.217 11.200 1.00 40.73 N +ATOM 71 CA LEU A 11 -2.724 -3.455 10.799 1.00 39.90 C +ATOM 72 C LEU A 11 -2.879 -2.878 9.393 1.00 42.90 C +ATOM 73 O LEU A 11 -2.676 -1.677 9.224 1.00 41.79 O +ATOM 74 CB LEU A 11 -1.431 -4.297 10.873 1.00 39.77 C +ATOM 75 CG LEU A 11 -0.127 -3.562 10.494 1.00 42.84 C +ATOM 76 CD1 LEU A 11 0.269 -2.521 11.553 1.00 41.14 C +ATOM 77 CD2 LEU A 11 0.996 -4.531 10.256 1.00 45.77 C +ATOM 78 N SER A 12 -3.273 -3.712 8.407 1.00 41.18 N +ATOM 79 CA SER A 12 -3.462 -3.292 7.008 1.00 42.21 C +ATOM 80 C SER A 12 -4.557 -2.213 6.893 1.00 48.00 C +ATOM 81 O SER A 12 -4.338 -1.214 6.214 1.00 47.78 O +ATOM 82 CB SER A 12 -3.787 -4.488 6.118 1.00 45.73 C +ATOM 83 OG SER A 12 -3.969 -4.102 4.764 1.00 53.73 O +ATOM 84 N ASN A 13 -5.685 -2.379 7.610 1.00 46.40 N +ATOM 85 CA ASN A 13 -6.790 -1.412 7.608 1.00 47.30 C +ATOM 86 C ASN A 13 -6.376 -0.079 8.236 1.00 49.55 C +ATOM 87 O ASN A 13 -6.711 0.977 7.694 1.00 50.39 O +ATOM 88 CB ASN A 13 -8.009 -1.969 8.345 1.00 49.82 C +ATOM 89 CG ASN A 13 -8.670 -3.157 7.694 1.00 81.22 C +ATOM 90 OD1 ASN A 13 -8.616 -3.357 6.470 1.00 81.14 O +ATOM 91 ND2 ASN A 13 -9.341 -3.960 8.510 1.00 74.66 N +ATOM 92 N THR A 14 -5.630 -0.134 9.356 1.00 43.72 N +ATOM 93 CA THR A 14 -5.158 1.037 10.089 1.00 42.07 C +ATOM 94 C THR A 14 -4.187 1.831 9.206 1.00 47.61 C +ATOM 95 O THR A 14 -4.315 3.054 9.134 1.00 48.07 O +ATOM 96 CB THR A 14 -4.548 0.641 11.447 1.00 46.55 C +ATOM 97 OG1 THR A 14 -5.406 -0.295 12.113 1.00 41.45 O +ATOM 98 CG2 THR A 14 -4.338 1.836 12.349 1.00 43.39 C +ATOM 99 N ILE A 15 -3.274 1.146 8.489 1.00 44.49 N +ATOM 100 CA ILE A 15 -2.330 1.786 7.558 1.00 44.88 C +ATOM 101 C ILE A 15 -3.111 2.601 6.490 1.00 50.67 C +ATOM 102 O ILE A 15 -2.725 3.733 6.199 1.00 50.55 O +ATOM 103 CB ILE A 15 -1.362 0.739 6.915 1.00 47.69 C +ATOM 104 CG1 ILE A 15 -0.355 0.203 7.967 1.00 46.15 C +ATOM 105 CG2 ILE A 15 -0.623 1.307 5.685 1.00 48.56 C +ATOM 106 CD1 ILE A 15 0.327 -1.167 7.596 1.00 51.23 C +ATOM 107 N ASN A 16 -4.223 2.049 5.966 1.00 49.52 N +ATOM 108 CA ASN A 16 -5.040 2.706 4.930 1.00 51.68 C +ATOM 109 C ASN A 16 -5.823 3.920 5.474 1.00 56.28 C +ATOM 110 O ASN A 16 -5.828 4.971 4.828 1.00 56.69 O +ATOM 111 CB ASN A 16 -6.007 1.711 4.263 1.00 50.86 C +ATOM 112 CG ASN A 16 -5.350 0.599 3.468 1.00 68.18 C +ATOM 113 OD1 ASN A 16 -5.932 -0.477 3.271 1.00 62.06 O +ATOM 114 ND2 ASN A 16 -4.148 0.830 2.961 1.00 58.03 N +ATOM 115 N GLU A 17 -6.466 3.779 6.648 1.00 52.94 N +ATOM 116 CA GLU A 17 -7.244 4.841 7.296 1.00 53.72 C +ATOM 117 C GLU A 17 -6.368 6.046 7.697 1.00 58.63 C +ATOM 118 O GLU A 17 -6.852 7.177 7.696 1.00 59.62 O +ATOM 119 CB GLU A 17 -7.968 4.295 8.537 1.00 54.40 C +ATOM 120 CG GLU A 17 -9.313 4.956 8.784 1.00 67.77 C +ATOM 121 CD GLU A 17 -10.494 4.002 8.798 1.00 92.67 C +ATOM 122 OE1 GLU A 17 -11.164 3.868 7.748 1.00 89.43 O +ATOM 123 OE2 GLU A 17 -10.754 3.393 9.862 1.00 84.88 O +ATOM 124 N LEU A 18 -5.090 5.795 8.030 1.00 54.17 N +ATOM 125 CA LEU A 18 -4.123 6.808 8.452 1.00 53.32 C +ATOM 126 C LEU A 18 -3.351 7.405 7.266 1.00 58.10 C +ATOM 127 O LEU A 18 -2.460 8.229 7.474 1.00 56.57 O +ATOM 128 CB LEU A 18 -3.137 6.193 9.466 1.00 51.67 C +ATOM 129 CG LEU A 18 -3.489 6.316 10.949 1.00 55.07 C +ATOM 130 CD1 LEU A 18 -4.670 5.456 11.317 1.00 55.21 C +ATOM 131 CD2 LEU A 18 -2.327 5.886 11.795 1.00 56.39 C +ATOM 132 N ASN A 19 -3.699 6.990 6.028 1.00 56.65 N +ATOM 133 CA ASN A 19 -3.108 7.447 4.763 1.00 58.01 C +ATOM 134 C ASN A 19 -1.579 7.255 4.773 1.00 61.96 C +ATOM 135 O ASN A 19 -0.824 8.123 4.328 1.00 61.22 O +ATOM 136 CB ASN A 19 -3.504 8.915 4.462 1.00 61.82 C +ATOM 137 CG ASN A 19 -4.993 9.212 4.571 1.00 87.49 C +ATOM 138 OD1 ASN A 19 -5.426 10.060 5.362 1.00 81.86 O +ATOM 139 ND2 ASN A 19 -5.814 8.527 3.779 1.00 78.31 N +ATOM 140 N LEU A 20 -1.134 6.102 5.295 1.00 59.43 N +ATOM 141 CA LEU A 20 0.283 5.764 5.394 1.00 59.02 C +ATOM 142 C LEU A 20 0.706 4.829 4.273 1.00 67.46 C +ATOM 143 O LEU A 20 1.906 4.647 4.067 1.00 66.35 O +ATOM 144 CB LEU A 20 0.614 5.149 6.768 1.00 56.97 C +ATOM 145 CG LEU A 20 0.730 6.137 7.933 1.00 59.83 C +ATOM 146 CD1 LEU A 20 0.647 5.429 9.252 1.00 58.32 C +ATOM 147 CD2 LEU A 20 2.018 6.920 7.866 1.00 61.95 C +ATOM 148 N ASN A 21 -0.273 4.268 3.517 1.00 69.39 N +ATOM 149 CA ASN A 21 -0.024 3.368 2.382 1.00 72.29 C +ATOM 150 C ASN A 21 0.869 4.061 1.360 1.00 81.01 C +ATOM 151 O ASN A 21 1.606 3.401 0.631 1.00 81.11 O +ATOM 152 CB ASN A 21 -1.328 2.901 1.746 1.00 74.17 C +ATOM 153 CG ASN A 21 -1.288 1.450 1.355 1.00104.01 C +ATOM 154 OD1 ASN A 21 -1.462 0.549 2.182 1.00101.19 O +ATOM 155 ND2 ASN A 21 -1.032 1.191 0.089 1.00101.04 N +ATOM 156 N ASP A 22 0.820 5.404 1.354 1.00 80.72 N +ATOM 157 CA ASP A 22 1.663 6.276 0.552 1.00 82.65 C +ATOM 158 C ASP A 22 2.827 6.732 1.432 1.00 86.90 C +ATOM 159 O ASP A 22 2.597 7.421 2.433 1.00 86.07 O +ATOM 160 CB ASP A 22 0.867 7.469 -0.037 1.00 86.38 C +ATOM 161 CG ASP A 22 -0.159 8.101 0.890 1.00 98.28 C +ATOM 162 OD1 ASP A 22 0.226 8.984 1.689 1.00 97.76 O +ATOM 163 OD2 ASP A 22 -1.352 7.738 0.789 1.00105.90 O +ATOM 164 N LYS A 23 4.060 6.249 1.102 1.00 84.09 N +ATOM 165 CA LYS A 23 5.391 6.508 1.702 1.00 83.11 C +ATOM 166 C LYS A 23 6.051 5.257 2.334 1.00 85.60 C +ATOM 167 O LYS A 23 7.281 5.161 2.281 1.00 85.57 O +ATOM 168 CB LYS A 23 5.431 7.677 2.716 1.00 84.89 C +ATOM 169 CG LYS A 23 5.377 9.056 2.052 1.00 99.47 C +ATOM 170 CD LYS A 23 6.191 10.111 2.782 1.00108.32 C +ATOM 171 CE LYS A 23 7.379 10.548 1.958 1.00117.36 C +ATOM 172 NZ LYS A 23 7.738 11.969 2.202 1.00123.94 N +ATOM 173 N LYS A 24 5.278 4.318 2.928 1.00 80.57 N +ATOM 174 CA LYS A 24 5.894 3.151 3.582 1.00 79.00 C +ATOM 175 C LYS A 24 5.075 1.839 3.396 1.00 81.67 C +ATOM 176 O LYS A 24 5.449 1.046 2.534 1.00 82.54 O +ATOM 177 CB LYS A 24 6.208 3.419 5.084 1.00 79.60 C +ATOM 178 CG LYS A 24 5.081 4.032 5.946 1.00 91.00 C +ATOM 179 CD LYS A 24 4.949 5.564 5.844 1.00 99.60 C +ATOM 180 CE LYS A 24 5.866 6.331 6.766 1.00109.42 C +ATOM 181 NZ LYS A 24 5.705 7.800 6.595 1.00118.36 N +ATOM 182 N ALA A 25 4.017 1.588 4.220 1.00 75.43 N +ATOM 183 CA ALA A 25 3.122 0.408 4.228 1.00 74.47 C +ATOM 184 C ALA A 25 3.838 -0.930 4.559 1.00 75.16 C +ATOM 185 O ALA A 25 3.156 -1.899 4.908 1.00 74.72 O +ATOM 186 CB ALA A 25 2.368 0.280 2.908 1.00 76.91 C +ATOM 187 N ASN A 26 5.189 -0.983 4.484 1.00 69.20 N +ATOM 188 CA ASN A 26 5.975 -2.197 4.767 1.00 67.61 C +ATOM 189 C ASN A 26 6.217 -2.355 6.286 1.00 63.64 C +ATOM 190 O ASN A 26 7.323 -2.666 6.741 1.00 63.54 O +ATOM 191 CB ASN A 26 7.296 -2.187 3.985 1.00 71.22 C +ATOM 192 CG ASN A 26 7.926 -3.550 3.790 1.00104.96 C +ATOM 193 OD1 ASN A 26 7.305 -4.602 4.012 1.00100.10 O +ATOM 194 ND2 ASN A 26 9.181 -3.557 3.351 1.00 99.77 N +ATOM 195 N ILE A 27 5.149 -2.170 7.054 1.00 54.33 N +ATOM 196 CA ILE A 27 5.148 -2.272 8.503 1.00 50.89 C +ATOM 197 C ILE A 27 4.881 -3.732 8.898 1.00 49.51 C +ATOM 198 O ILE A 27 4.068 -4.417 8.276 1.00 48.91 O +ATOM 199 CB ILE A 27 4.131 -1.262 9.114 1.00 52.86 C +ATOM 200 CG1 ILE A 27 4.533 0.186 8.757 1.00 52.89 C +ATOM 201 CG2 ILE A 27 4.016 -1.405 10.635 1.00 53.19 C +ATOM 202 CD1 ILE A 27 3.582 0.906 7.893 1.00 61.62 C +ATOM 203 N LYS A 28 5.618 -4.205 9.902 1.00 42.10 N +ATOM 204 CA LYS A 28 5.497 -5.546 10.458 1.00 41.84 C +ATOM 205 C LYS A 28 5.063 -5.458 11.911 1.00 43.28 C +ATOM 206 O LYS A 28 5.322 -4.449 12.573 1.00 39.51 O +ATOM 207 CB LYS A 28 6.845 -6.305 10.387 1.00 45.06 C +ATOM 208 CG LYS A 28 7.515 -6.376 9.022 1.00 56.83 C +ATOM 209 CD LYS A 28 8.973 -6.770 9.193 1.00 68.26 C +ATOM 210 CE LYS A 28 9.767 -6.682 7.915 1.00 83.21 C +ATOM 211 NZ LYS A 28 11.149 -7.200 8.095 1.00 93.42 N +ATOM 212 N ILE A 29 4.439 -6.526 12.411 1.00 41.37 N +ATOM 213 CA ILE A 29 4.085 -6.670 13.819 1.00 41.27 C +ATOM 214 C ILE A 29 4.924 -7.821 14.371 1.00 45.38 C +ATOM 215 O ILE A 29 4.902 -8.918 13.811 1.00 45.53 O +ATOM 216 CB ILE A 29 2.564 -6.881 14.084 1.00 44.68 C +ATOM 217 CG1 ILE A 29 1.748 -5.623 13.750 1.00 44.16 C +ATOM 218 CG2 ILE A 29 2.317 -7.308 15.546 1.00 45.52 C +ATOM 219 CD1 ILE A 29 0.222 -5.834 13.766 1.00 49.82 C +ATOM 220 N LYS A 30 5.649 -7.574 15.463 1.00 42.08 N +ATOM 221 CA LYS A 30 6.411 -8.620 16.136 1.00 43.31 C +ATOM 222 C LYS A 30 5.874 -8.748 17.544 1.00 48.14 C +ATOM 223 O LYS A 30 5.635 -7.740 18.199 1.00 47.55 O +ATOM 224 CB LYS A 30 7.924 -8.352 16.113 1.00 45.39 C +ATOM 225 CG LYS A 30 8.565 -8.769 14.793 1.00 54.58 C +ATOM 226 CD LYS A 30 10.068 -8.521 14.758 1.00 63.82 C +ATOM 227 CE LYS A 30 10.649 -8.842 13.395 1.00 73.32 C +ATOM 228 NZ LYS A 30 12.135 -8.762 13.376 1.00 78.69 N +ATOM 229 N ILE A 31 5.590 -9.976 17.969 1.00 46.56 N +ATOM 230 CA ILE A 31 5.077 -10.271 19.300 1.00 46.51 C +ATOM 231 C ILE A 31 6.255 -10.755 20.139 1.00 52.77 C +ATOM 232 O ILE A 31 6.825 -11.807 19.847 1.00 55.11 O +ATOM 233 CB ILE A 31 3.909 -11.303 19.272 1.00 50.45 C +ATOM 234 CG1 ILE A 31 2.783 -10.929 18.254 1.00 50.17 C +ATOM 235 CG2 ILE A 31 3.351 -11.560 20.676 1.00 50.93 C +ATOM 236 CD1 ILE A 31 2.023 -9.626 18.452 1.00 58.74 C +ATOM 237 N LYS A 32 6.646 -9.969 21.146 1.00 47.88 N +ATOM 238 CA LYS A 32 7.755 -10.310 22.032 1.00 47.93 C +ATOM 239 C LYS A 32 7.453 -9.842 23.467 1.00 50.25 C +ATOM 240 O LYS A 32 6.668 -8.907 23.642 1.00 47.87 O +ATOM 241 CB LYS A 32 9.082 -9.698 21.510 1.00 49.68 C +ATOM 242 CG LYS A 32 9.216 -8.178 21.639 1.00 54.90 C +ATOM 243 CD LYS A 32 10.626 -7.693 21.280 1.00 65.56 C +ATOM 244 CE LYS A 32 11.479 -7.295 22.463 1.00 74.01 C +ATOM 245 NZ LYS A 32 12.044 -8.467 23.174 1.00 81.85 N +ATOM 246 N PRO A 33 8.054 -10.438 24.517 1.00 48.56 N +ATOM 247 CA PRO A 33 7.799 -9.909 25.859 1.00 48.10 C +ATOM 248 C PRO A 33 8.555 -8.587 26.040 1.00 50.49 C +ATOM 249 O PRO A 33 9.721 -8.468 25.656 1.00 50.64 O +ATOM 250 CB PRO A 33 8.297 -11.020 26.797 1.00 52.18 C +ATOM 251 CG PRO A 33 8.804 -12.130 25.904 1.00 58.18 C +ATOM 252 CD PRO A 33 9.032 -11.544 24.556 1.00 52.29 C +ATOM 253 N LEU A 34 7.850 -7.572 26.524 1.00 45.38 N +ATOM 254 CA LEU A 34 8.414 -6.254 26.804 1.00 44.63 C +ATOM 255 C LEU A 34 8.429 -6.087 28.327 1.00 53.12 C +ATOM 256 O LEU A 34 7.499 -6.541 28.994 1.00 52.88 O +ATOM 257 CB LEU A 34 7.618 -5.130 26.101 1.00 41.78 C +ATOM 258 CG LEU A 34 7.608 -5.132 24.563 1.00 45.13 C +ATOM 259 CD1 LEU A 34 6.549 -4.192 24.020 1.00 42.93 C +ATOM 260 CD2 LEU A 34 8.990 -4.792 23.978 1.00 47.08 C +ATOM 261 N LYS A 35 9.492 -5.481 28.873 1.00 52.78 N +ATOM 262 CA LYS A 35 9.669 -5.319 30.316 1.00 54.69 C +ATOM 263 C LYS A 35 8.801 -4.211 30.917 1.00 58.00 C +ATOM 264 O LYS A 35 8.334 -4.362 32.049 1.00 58.90 O +ATOM 265 CB LYS A 35 11.149 -5.034 30.647 1.00 59.16 C +ATOM 266 CG LYS A 35 12.098 -6.208 30.394 1.00 76.17 C +ATOM 267 CD LYS A 35 12.310 -7.073 31.633 1.00 87.71 C +ATOM 268 CE LYS A 35 13.266 -8.219 31.398 1.00 99.04 C +ATOM 269 NZ LYS A 35 14.689 -7.781 31.428 1.00107.77 N +ATOM 270 N ARG A 36 8.618 -3.086 30.205 1.00 52.97 N +ATOM 271 CA ARG A 36 7.899 -1.947 30.786 1.00 52.08 C +ATOM 272 C ARG A 36 6.902 -1.265 29.845 1.00 52.70 C +ATOM 273 O ARG A 36 6.384 -0.200 30.190 1.00 53.98 O +ATOM 274 CB ARG A 36 8.908 -0.895 31.314 1.00 54.19 C +ATOM 275 CG ARG A 36 10.322 -1.014 30.750 1.00 65.63 C +ATOM 276 CD ARG A 36 11.318 -0.184 31.524 1.00 80.39 C +ATOM 277 NE ARG A 36 11.339 1.195 31.048 1.00 93.53 N +ATOM 278 CZ ARG A 36 12.135 1.647 30.083 1.00111.58 C +ATOM 279 NH1 ARG A 36 12.996 0.831 29.485 1.00101.08 N +ATOM 280 NH2 ARG A 36 12.078 2.917 29.712 1.00100.03 N +ATOM 281 N LYS A 37 6.583 -1.872 28.702 1.00 45.61 N +ATOM 282 CA LYS A 37 5.652 -1.265 27.746 1.00 42.67 C +ATOM 283 C LYS A 37 4.623 -2.262 27.212 1.00 43.87 C +ATOM 284 O LYS A 37 4.897 -3.458 27.183 1.00 44.43 O +ATOM 285 CB LYS A 37 6.445 -0.664 26.562 1.00 43.86 C +ATOM 286 CG LYS A 37 7.268 0.564 26.959 1.00 47.95 C +ATOM 287 CD LYS A 37 8.174 1.057 25.865 1.00 49.01 C +ATOM 288 CE LYS A 37 8.780 2.382 26.237 1.00 55.13 C +ATOM 289 NZ LYS A 37 9.678 2.897 25.172 1.00 67.59 N +ATOM 290 N ILE A 38 3.442 -1.758 26.776 1.00 37.63 N +ATOM 291 CA ILE A 38 2.368 -2.534 26.134 1.00 36.11 C +ATOM 292 C ILE A 38 2.709 -2.702 24.637 1.00 38.18 C +ATOM 293 O ILE A 38 2.455 -3.743 24.030 1.00 38.32 O +ATOM 294 CB ILE A 38 0.989 -1.820 26.320 1.00 38.42 C +ATOM 295 CG1 ILE A 38 0.461 -1.954 27.777 1.00 39.61 C +ATOM 296 CG2 ILE A 38 -0.058 -2.323 25.304 1.00 37.62 C +ATOM 297 CD1 ILE A 38 -0.663 -0.968 28.128 1.00 46.48 C +ATOM 298 N ALA A 39 3.231 -1.638 24.042 1.00 33.35 N +ATOM 299 CA ALA A 39 3.576 -1.588 22.634 1.00 33.31 C +ATOM 300 C ALA A 39 4.698 -0.625 22.402 1.00 37.94 C +ATOM 301 O ALA A 39 4.934 0.283 23.200 1.00 36.90 O +ATOM 302 CB ALA A 39 2.363 -1.183 21.795 1.00 33.09 C +ATOM 303 N SER A 40 5.394 -0.824 21.296 1.00 35.23 N +ATOM 304 CA SER A 40 6.501 0.025 20.905 1.00 35.38 C +ATOM 305 C SER A 40 6.624 -0.036 19.409 1.00 38.99 C +ATOM 306 O SER A 40 6.011 -0.898 18.785 1.00 38.84 O +ATOM 307 CB SER A 40 7.785 -0.448 21.584 1.00 40.84 C +ATOM 308 OG SER A 40 8.801 0.523 21.412 1.00 55.25 O +ATOM 309 N ILE A 41 7.396 0.878 18.822 1.00 35.42 N +ATOM 310 CA ILE A 41 7.628 0.893 17.387 1.00 33.71 C +ATOM 311 C ILE A 41 9.063 1.294 17.095 1.00 37.12 C +ATOM 312 O ILE A 41 9.607 2.182 17.751 1.00 36.74 O +ATOM 313 CB ILE A 41 6.616 1.778 16.603 1.00 35.41 C +ATOM 314 CG1 ILE A 41 6.786 1.582 15.052 1.00 35.80 C +ATOM 315 CG2 ILE A 41 6.668 3.281 17.048 1.00 33.64 C +ATOM 316 CD1 ILE A 41 5.697 2.223 14.100 1.00 41.80 C +ATOM 317 N SER A 42 9.666 0.627 16.110 1.00 34.49 N +ATOM 318 CA SER A 42 10.962 0.986 15.565 1.00 35.08 C +ATOM 319 C SER A 42 10.648 1.641 14.245 1.00 38.48 C +ATOM 320 O SER A 42 10.137 0.978 13.347 1.00 36.47 O +ATOM 321 CB SER A 42 11.882 -0.224 15.420 1.00 38.48 C +ATOM 322 OG SER A 42 12.980 0.129 14.594 1.00 43.02 O +ATOM 323 N LEU A 43 10.851 2.956 14.156 1.00 36.89 N +ATOM 324 CA LEU A 43 10.528 3.691 12.937 1.00 37.86 C +ATOM 325 C LEU A 43 11.529 3.367 11.825 1.00 43.99 C +ATOM 326 O LEU A 43 11.126 3.302 10.668 1.00 44.75 O +ATOM 327 CB LEU A 43 10.433 5.215 13.191 1.00 37.91 C +ATOM 328 CG LEU A 43 9.496 5.685 14.338 1.00 41.75 C +ATOM 329 CD1 LEU A 43 9.487 7.192 14.437 1.00 42.55 C +ATOM 330 CD2 LEU A 43 8.048 5.225 14.115 1.00 42.08 C +ATOM 331 N THR A 44 12.801 3.102 12.167 1.00 41.68 N +ATOM 332 CA THR A 44 13.807 2.732 11.160 1.00 43.10 C +ATOM 333 C THR A 44 13.556 1.323 10.590 1.00 47.82 C +ATOM 334 O THR A 44 13.716 1.119 9.388 1.00 47.59 O +ATOM 335 CB THR A 44 15.214 2.805 11.731 1.00 46.87 C +ATOM 336 OG1 THR A 44 15.304 1.918 12.842 1.00 43.90 O +ATOM 337 CG2 THR A 44 15.602 4.198 12.129 1.00 45.70 C +ATOM 338 N ASN A 45 13.173 0.355 11.455 1.00 45.32 N +ATOM 339 CA ASN A 45 12.909 -1.023 11.018 1.00 46.17 C +ATOM 340 C ASN A 45 11.442 -1.208 10.616 1.00 48.93 C +ATOM 341 O ASN A 45 11.087 -2.269 10.106 1.00 49.19 O +ATOM 342 CB ASN A 45 13.311 -2.038 12.100 1.00 46.24 C +ATOM 343 CG ASN A 45 14.761 -1.947 12.516 1.00 67.71 C +ATOM 344 OD1 ASN A 45 15.090 -1.921 13.708 1.00 61.81 O +ATOM 345 ND2 ASN A 45 15.659 -1.883 11.544 1.00 60.11 N +ATOM 346 N LYS A 46 10.607 -0.162 10.826 1.00 44.27 N +ATOM 347 CA LYS A 46 9.164 -0.108 10.529 1.00 42.90 C +ATOM 348 C LYS A 46 8.468 -1.300 11.206 1.00 44.84 C +ATOM 349 O LYS A 46 7.688 -2.011 10.575 1.00 45.07 O +ATOM 350 CB LYS A 46 8.909 -0.072 8.998 1.00 46.14 C +ATOM 351 CG LYS A 46 9.607 1.072 8.255 1.00 55.86 C +ATOM 352 CD LYS A 46 8.824 2.382 8.305 1.00 66.50 C +ATOM 353 CE LYS A 46 9.421 3.466 7.430 1.00 72.67 C +ATOM 354 NZ LYS A 46 10.584 4.137 8.070 1.00 71.49 N +ATOM 355 N THR A 47 8.796 -1.543 12.483 1.00 39.05 N +ATOM 356 CA THR A 47 8.265 -2.700 13.190 1.00 38.12 C +ATOM 357 C THR A 47 7.568 -2.285 14.462 1.00 40.26 C +ATOM 358 O THR A 47 8.142 -1.561 15.273 1.00 39.61 O +ATOM 359 CB THR A 47 9.400 -3.693 13.466 1.00 43.75 C +ATOM 360 OG1 THR A 47 10.038 -3.994 12.224 1.00 41.20 O +ATOM 361 CG2 THR A 47 8.923 -4.991 14.132 1.00 41.61 C +ATOM 362 N ILE A 48 6.321 -2.747 14.628 1.00 35.56 N +ATOM 363 CA ILE A 48 5.541 -2.528 15.838 1.00 34.07 C +ATOM 364 C ILE A 48 5.744 -3.752 16.709 1.00 38.21 C +ATOM 365 O ILE A 48 5.534 -4.869 16.242 1.00 38.79 O +ATOM 366 CB ILE A 48 4.042 -2.232 15.560 1.00 36.81 C +ATOM 367 CG1 ILE A 48 3.872 -0.923 14.744 1.00 36.06 C +ATOM 368 CG2 ILE A 48 3.234 -2.186 16.886 1.00 37.10 C +ATOM 369 CD1 ILE A 48 2.509 -0.683 14.200 1.00 35.27 C +ATOM 370 N TYR A 49 6.197 -3.545 17.957 1.00 34.20 N +ATOM 371 CA TYR A 49 6.403 -4.609 18.924 1.00 34.64 C +ATOM 372 C TYR A 49 5.248 -4.591 19.926 1.00 39.12 C +ATOM 373 O TYR A 49 4.969 -3.548 20.517 1.00 36.14 O +ATOM 374 CB TYR A 49 7.774 -4.476 19.622 1.00 36.08 C +ATOM 375 CG TYR A 49 8.955 -4.491 18.664 1.00 38.34 C +ATOM 376 CD1 TYR A 49 9.535 -5.689 18.258 1.00 41.34 C +ATOM 377 CD2 TYR A 49 9.493 -3.306 18.171 1.00 38.30 C +ATOM 378 CE1 TYR A 49 10.621 -5.706 17.379 1.00 42.54 C +ATOM 379 CE2 TYR A 49 10.577 -3.310 17.293 1.00 39.50 C +ATOM 380 CZ TYR A 49 11.142 -4.512 16.904 1.00 48.91 C +ATOM 381 OH TYR A 49 12.204 -4.507 16.024 1.00 51.69 O +ATOM 382 N ILE A 50 4.534 -5.726 20.062 1.00 38.46 N +ATOM 383 CA ILE A 50 3.422 -5.849 21.018 1.00 38.45 C +ATOM 384 C ILE A 50 3.841 -6.826 22.116 1.00 40.11 C +ATOM 385 O ILE A 50 4.396 -7.896 21.820 1.00 40.14 O +ATOM 386 CB ILE A 50 2.071 -6.235 20.360 1.00 42.19 C +ATOM 387 CG1 ILE A 50 1.676 -5.186 19.298 1.00 41.59 C +ATOM 388 CG2 ILE A 50 0.950 -6.376 21.438 1.00 43.91 C +ATOM 389 CD1 ILE A 50 0.567 -5.619 18.351 1.00 53.56 C +ATOM 390 N ASN A 51 3.600 -6.433 23.383 1.00 35.53 N +ATOM 391 CA ASN A 51 3.960 -7.215 24.564 1.00 36.56 C +ATOM 392 C ASN A 51 3.217 -8.557 24.583 1.00 41.71 C +ATOM 393 O ASN A 51 1.984 -8.595 24.663 1.00 40.78 O +ATOM 394 CB ASN A 51 3.704 -6.422 25.848 1.00 36.13 C +ATOM 395 CG ASN A 51 4.409 -6.967 27.058 1.00 50.72 C +ATOM 396 OD1 ASN A 51 4.760 -8.156 27.151 1.00 49.56 O +ATOM 397 ND2 ASN A 51 4.619 -6.107 28.028 1.00 42.85 N +ATOM 398 N LYS A 52 3.992 -9.655 24.503 1.00 40.36 N +ATOM 399 CA LYS A 52 3.502 -11.041 24.480 1.00 41.84 C +ATOM 400 C LYS A 52 2.690 -11.389 25.741 1.00 47.22 C +ATOM 401 O LYS A 52 1.724 -12.145 25.654 1.00 48.16 O +ATOM 402 CB LYS A 52 4.691 -12.010 24.333 1.00 45.30 C +ATOM 403 CG LYS A 52 4.319 -13.416 23.889 1.00 51.50 C +ATOM 404 CD LYS A 52 5.532 -14.335 23.910 1.00 61.27 C +ATOM 405 CE LYS A 52 5.166 -15.791 23.707 1.00 75.21 C +ATOM 406 NZ LYS A 52 4.816 -16.101 22.291 1.00 80.88 N +ATOM 407 N ASN A 53 3.077 -10.839 26.896 1.00 44.06 N +ATOM 408 CA ASN A 53 2.417 -11.113 28.172 1.00 44.91 C +ATOM 409 C ASN A 53 1.033 -10.440 28.287 1.00 47.58 C +ATOM 410 O ASN A 53 0.172 -10.962 28.998 1.00 48.92 O +ATOM 411 CB ASN A 53 3.315 -10.674 29.338 1.00 46.64 C +ATOM 412 CG ASN A 53 4.759 -11.122 29.222 1.00 68.90 C +ATOM 413 OD1 ASN A 53 5.059 -12.301 29.015 1.00 62.62 O +ATOM 414 ND2 ASN A 53 5.689 -10.185 29.363 1.00 61.63 N +ATOM 415 N ILE A 54 0.820 -9.315 27.579 1.00 41.53 N +ATOM 416 CA ILE A 54 -0.414 -8.502 27.580 1.00 40.37 C +ATOM 417 C ILE A 54 -1.371 -8.896 26.431 1.00 42.84 C +ATOM 418 O ILE A 54 -2.594 -8.820 26.600 1.00 41.93 O +ATOM 419 CB ILE A 54 -0.044 -6.972 27.475 1.00 42.20 C +ATOM 420 CG1 ILE A 54 1.001 -6.516 28.550 1.00 44.00 C +ATOM 421 CG2 ILE A 54 -1.270 -6.050 27.473 1.00 41.67 C +ATOM 422 CD1 ILE A 54 0.554 -6.426 30.017 1.00 50.84 C +ATOM 423 N LEU A 55 -0.816 -9.242 25.249 1.00 39.51 N +ATOM 424 CA LEU A 55 -1.574 -9.570 24.038 1.00 39.24 C +ATOM 425 C LEU A 55 -2.809 -10.485 24.271 1.00 45.32 C +ATOM 426 O LEU A 55 -3.877 -10.087 23.798 1.00 44.75 O +ATOM 427 CB LEU A 55 -0.683 -10.170 22.937 1.00 39.69 C +ATOM 428 CG LEU A 55 -1.397 -10.541 21.613 1.00 44.33 C +ATOM 429 CD1 LEU A 55 -2.031 -9.306 20.932 1.00 42.94 C +ATOM 430 CD2 LEU A 55 -0.478 -11.283 20.685 1.00 46.75 C +ATOM 431 N PRO A 56 -2.750 -11.646 24.984 1.00 44.38 N +ATOM 432 CA PRO A 56 -3.976 -12.470 25.146 1.00 45.68 C +ATOM 433 C PRO A 56 -5.191 -11.747 25.744 1.00 49.25 C +ATOM 434 O PRO A 56 -6.325 -12.126 25.452 1.00 49.68 O +ATOM 435 CB PRO A 56 -3.533 -13.578 26.106 1.00 48.89 C +ATOM 436 CG PRO A 56 -2.075 -13.683 25.919 1.00 53.30 C +ATOM 437 CD PRO A 56 -1.591 -12.296 25.637 1.00 46.80 C +ATOM 438 N TYR A 57 -4.953 -10.709 26.561 1.00 44.67 N +ATOM 439 CA TYR A 57 -5.981 -9.950 27.281 1.00 43.98 C +ATOM 440 C TYR A 57 -6.501 -8.718 26.534 1.00 45.43 C +ATOM 441 O TYR A 57 -7.330 -8.006 27.090 1.00 45.64 O +ATOM 442 CB TYR A 57 -5.412 -9.503 28.643 1.00 45.83 C +ATOM 443 CG TYR A 57 -4.778 -10.634 29.423 1.00 50.40 C +ATOM 444 CD1 TYR A 57 -5.560 -11.559 30.108 1.00 54.21 C +ATOM 445 CD2 TYR A 57 -3.398 -10.808 29.437 1.00 51.68 C +ATOM 446 CE1 TYR A 57 -4.984 -12.616 30.812 1.00 57.50 C +ATOM 447 CE2 TYR A 57 -2.809 -11.862 30.134 1.00 54.73 C +ATOM 448 CZ TYR A 57 -3.606 -12.758 30.830 1.00 64.07 C +ATOM 449 OH TYR A 57 -3.033 -13.805 31.513 1.00 65.38 O +ATOM 450 N LEU A 58 -6.055 -8.458 25.294 1.00 40.02 N +ATOM 451 CA LEU A 58 -6.507 -7.259 24.580 1.00 38.47 C +ATOM 452 C LEU A 58 -7.767 -7.510 23.754 1.00 41.36 C +ATOM 453 O LEU A 58 -7.874 -8.556 23.121 1.00 42.17 O +ATOM 454 CB LEU A 58 -5.396 -6.688 23.671 1.00 37.10 C +ATOM 455 CG LEU A 58 -4.079 -6.308 24.347 1.00 40.76 C +ATOM 456 CD1 LEU A 58 -3.013 -5.983 23.315 1.00 40.60 C +ATOM 457 CD2 LEU A 58 -4.255 -5.166 25.322 1.00 38.84 C +ATOM 458 N SER A 59 -8.710 -6.543 23.762 1.00 36.19 N +ATOM 459 CA SER A 59 -9.944 -6.614 22.957 1.00 36.75 C +ATOM 460 C SER A 59 -9.670 -6.015 21.563 1.00 43.46 C +ATOM 461 O SER A 59 -8.586 -5.458 21.345 1.00 43.14 O +ATOM 462 CB SER A 59 -11.099 -5.895 23.654 1.00 37.77 C +ATOM 463 OG SER A 59 -10.871 -4.499 23.770 1.00 44.22 O +ATOM 464 N ASP A 60 -10.625 -6.139 20.624 1.00 42.35 N +ATOM 465 CA ASP A 60 -10.508 -5.622 19.252 1.00 42.60 C +ATOM 466 C ASP A 60 -10.272 -4.095 19.252 1.00 43.42 C +ATOM 467 O ASP A 60 -9.339 -3.628 18.597 1.00 42.12 O +ATOM 468 CB ASP A 60 -11.768 -5.988 18.448 1.00 47.47 C +ATOM 469 CG ASP A 60 -11.765 -5.501 17.016 1.00 65.74 C +ATOM 470 OD1 ASP A 60 -11.187 -6.198 16.152 1.00 69.58 O +ATOM 471 OD2 ASP A 60 -12.355 -4.433 16.756 1.00 73.04 O +ATOM 472 N GLU A 61 -11.077 -3.339 20.026 1.00 40.10 N +ATOM 473 CA GLU A 61 -10.961 -1.880 20.159 1.00 39.53 C +ATOM 474 C GLU A 61 -9.556 -1.463 20.666 1.00 40.65 C +ATOM 475 O GLU A 61 -8.991 -0.526 20.117 1.00 37.23 O +ATOM 476 CB GLU A 61 -12.056 -1.318 21.089 1.00 41.81 C +ATOM 477 CG GLU A 61 -12.135 0.204 21.056 1.00 53.19 C +ATOM 478 CD GLU A 61 -13.279 0.866 21.798 1.00 68.91 C +ATOM 479 OE1 GLU A 61 -13.616 0.415 22.917 1.00 70.76 O +ATOM 480 OE2 GLU A 61 -13.787 1.891 21.290 1.00 52.02 O +ATOM 481 N GLU A 62 -9.011 -2.172 21.702 1.00 38.13 N +ATOM 482 CA GLU A 62 -7.691 -1.940 22.312 1.00 36.69 C +ATOM 483 C GLU A 62 -6.553 -2.188 21.318 1.00 39.00 C +ATOM 484 O GLU A 62 -5.639 -1.363 21.240 1.00 36.79 O +ATOM 485 CB GLU A 62 -7.481 -2.801 23.572 1.00 38.02 C +ATOM 486 CG GLU A 62 -8.248 -2.306 24.791 1.00 45.90 C +ATOM 487 CD GLU A 62 -8.575 -3.327 25.870 1.00 56.72 C +ATOM 488 OE1 GLU A 62 -8.216 -4.517 25.722 1.00 46.71 O +ATOM 489 OE2 GLU A 62 -9.189 -2.925 26.881 1.00 44.31 O +ATOM 490 N ILE A 63 -6.602 -3.300 20.559 1.00 35.64 N +ATOM 491 CA ILE A 63 -5.578 -3.600 19.543 1.00 34.68 C +ATOM 492 C ILE A 63 -5.578 -2.479 18.477 1.00 36.33 C +ATOM 493 O ILE A 63 -4.512 -1.968 18.134 1.00 34.38 O +ATOM 494 CB ILE A 63 -5.776 -5.000 18.919 1.00 39.01 C +ATOM 495 CG1 ILE A 63 -5.591 -6.101 19.984 1.00 40.04 C +ATOM 496 CG2 ILE A 63 -4.826 -5.226 17.735 1.00 39.62 C +ATOM 497 CD1 ILE A 63 -6.375 -7.426 19.700 1.00 46.22 C +ATOM 498 N ARG A 64 -6.777 -2.083 18.002 1.00 32.89 N +ATOM 499 CA ARG A 64 -6.982 -1.017 17.011 1.00 32.32 C +ATOM 500 C ARG A 64 -6.438 0.314 17.527 1.00 34.13 C +ATOM 501 O ARG A 64 -5.711 0.985 16.794 1.00 33.06 O +ATOM 502 CB ARG A 64 -8.468 -0.877 16.657 1.00 34.32 C +ATOM 503 CG ARG A 64 -8.983 -1.982 15.744 1.00 41.24 C +ATOM 504 CD ARG A 64 -10.399 -1.733 15.263 1.00 45.93 C +ATOM 505 NE ARG A 64 -11.033 -2.962 14.773 1.00 50.47 N +ATOM 506 CZ ARG A 64 -11.001 -3.382 13.509 1.00 69.70 C +ATOM 507 NH1 ARG A 64 -10.374 -2.670 12.578 1.00 52.47 N +ATOM 508 NH2 ARG A 64 -11.598 -4.515 13.165 1.00 65.38 N +ATOM 509 N PHE A 65 -6.714 0.650 18.809 1.00 29.86 N +ATOM 510 CA PHE A 65 -6.207 1.870 19.431 1.00 29.66 C +ATOM 511 C PHE A 65 -4.664 1.848 19.499 1.00 33.08 C +ATOM 512 O PHE A 65 -4.025 2.810 19.093 1.00 32.20 O +ATOM 513 CB PHE A 65 -6.822 2.096 20.837 1.00 31.84 C +ATOM 514 CG PHE A 65 -6.188 3.270 21.550 1.00 33.49 C +ATOM 515 CD1 PHE A 65 -6.480 4.577 21.169 1.00 36.98 C +ATOM 516 CD2 PHE A 65 -5.247 3.069 22.556 1.00 35.39 C +ATOM 517 CE1 PHE A 65 -5.849 5.658 21.783 1.00 38.04 C +ATOM 518 CE2 PHE A 65 -4.603 4.150 23.156 1.00 38.33 C +ATOM 519 CZ PHE A 65 -4.915 5.439 22.772 1.00 37.16 C +ATOM 520 N ILE A 66 -4.085 0.742 19.992 1.00 31.44 N +ATOM 521 CA ILE A 66 -2.643 0.538 20.137 1.00 31.48 C +ATOM 522 C ILE A 66 -1.919 0.640 18.767 1.00 35.05 C +ATOM 523 O ILE A 66 -0.879 1.294 18.682 1.00 34.87 O +ATOM 524 CB ILE A 66 -2.394 -0.824 20.844 1.00 35.18 C +ATOM 525 CG1 ILE A 66 -2.592 -0.667 22.371 1.00 35.57 C +ATOM 526 CG2 ILE A 66 -1.007 -1.400 20.518 1.00 35.93 C +ATOM 527 CD1 ILE A 66 -2.949 -1.937 23.134 1.00 37.75 C +ATOM 528 N LEU A 67 -2.473 0.018 17.714 1.00 31.51 N +ATOM 529 CA LEU A 67 -1.868 0.041 16.383 1.00 31.81 C +ATOM 530 C LEU A 67 -1.931 1.436 15.771 1.00 36.13 C +ATOM 531 O LEU A 67 -0.928 1.871 15.201 1.00 35.62 O +ATOM 532 CB LEU A 67 -2.499 -0.998 15.440 1.00 32.72 C +ATOM 533 CG LEU A 67 -2.242 -2.471 15.782 1.00 37.82 C +ATOM 534 CD1 LEU A 67 -2.916 -3.387 14.773 1.00 39.16 C +ATOM 535 CD2 LEU A 67 -0.749 -2.782 15.907 1.00 38.44 C +ATOM 536 N ALA A 68 -3.075 2.156 15.932 1.00 32.34 N +ATOM 537 CA ALA A 68 -3.212 3.536 15.437 1.00 31.89 C +ATOM 538 C ALA A 68 -2.239 4.480 16.160 1.00 33.43 C +ATOM 539 O ALA A 68 -1.653 5.343 15.514 1.00 33.70 O +ATOM 540 CB ALA A 68 -4.646 4.029 15.589 1.00 32.80 C +ATOM 541 N HIS A 69 -2.035 4.287 17.480 1.00 28.45 N +ATOM 542 CA HIS A 69 -1.121 5.110 18.274 1.00 27.54 C +ATOM 543 C HIS A 69 0.324 4.953 17.809 1.00 31.67 C +ATOM 544 O HIS A 69 1.064 5.935 17.742 1.00 31.60 O +ATOM 545 CB HIS A 69 -1.216 4.777 19.787 1.00 27.15 C +ATOM 546 CG HIS A 69 -0.566 5.822 20.650 1.00 29.52 C +ATOM 547 ND1 HIS A 69 0.819 5.880 20.804 1.00 30.91 N +ATOM 548 CD2 HIS A 69 -1.122 6.861 21.315 1.00 30.89 C +ATOM 549 CE1 HIS A 69 1.050 6.943 21.564 1.00 30.55 C +ATOM 550 NE2 HIS A 69 -0.087 7.570 21.890 1.00 31.08 N +ATOM 551 N GLU A 70 0.730 3.723 17.505 1.00 29.04 N +ATOM 552 CA GLU A 70 2.098 3.438 17.092 1.00 28.84 C +ATOM 553 C GLU A 70 2.371 3.859 15.656 1.00 33.07 C +ATOM 554 O GLU A 70 3.428 4.435 15.386 1.00 33.09 O +ATOM 555 CB GLU A 70 2.422 1.958 17.325 1.00 29.74 C +ATOM 556 CG GLU A 70 2.467 1.621 18.811 1.00 34.74 C +ATOM 557 CD GLU A 70 3.133 2.678 19.669 1.00 43.41 C +ATOM 558 OE1 GLU A 70 4.385 2.689 19.727 1.00 28.20 O +ATOM 559 OE2 GLU A 70 2.409 3.555 20.197 1.00 41.37 O +ATOM 560 N LEU A 71 1.409 3.642 14.760 1.00 30.35 N +ATOM 561 CA LEU A 71 1.545 4.021 13.350 1.00 30.62 C +ATOM 562 C LEU A 71 1.559 5.544 13.185 1.00 32.11 C +ATOM 563 O LEU A 71 2.205 6.029 12.268 1.00 32.03 O +ATOM 564 CB LEU A 71 0.421 3.407 12.499 1.00 31.84 C +ATOM 565 CG LEU A 71 0.523 1.908 12.199 1.00 38.62 C +ATOM 566 CD1 LEU A 71 -0.751 1.400 11.557 1.00 40.19 C +ATOM 567 CD2 LEU A 71 1.710 1.589 11.291 1.00 42.44 C +ATOM 568 N LEU A 72 0.882 6.292 14.076 1.00 27.62 N +ATOM 569 CA LEU A 72 0.855 7.760 14.020 1.00 28.61 C +ATOM 570 C LEU A 72 2.251 8.384 14.304 1.00 31.59 C +ATOM 571 O LEU A 72 2.470 9.535 13.934 1.00 31.81 O +ATOM 572 CB LEU A 72 -0.219 8.361 14.950 1.00 28.93 C +ATOM 573 CG LEU A 72 -1.628 8.512 14.364 1.00 35.27 C +ATOM 574 CD1 LEU A 72 -2.641 8.829 15.453 1.00 35.91 C +ATOM 575 CD2 LEU A 72 -1.673 9.573 13.220 1.00 37.36 C +ATOM 576 N HIS A 73 3.201 7.615 14.895 1.00 28.81 N +ATOM 577 CA HIS A 73 4.594 8.079 15.100 1.00 28.86 C +ATOM 578 C HIS A 73 5.340 8.142 13.773 1.00 32.10 C +ATOM 579 O HIS A 73 6.396 8.764 13.694 1.00 32.75 O +ATOM 580 CB HIS A 73 5.359 7.184 16.080 1.00 29.21 C +ATOM 581 CG HIS A 73 4.754 7.174 17.439 1.00 32.28 C +ATOM 582 ND1 HIS A 73 4.521 8.342 18.128 1.00 34.48 N +ATOM 583 CD2 HIS A 73 4.331 6.134 18.186 1.00 32.79 C +ATOM 584 CE1 HIS A 73 3.952 7.982 19.260 1.00 32.91 C +ATOM 585 NE2 HIS A 73 3.786 6.667 19.316 1.00 32.62 N +ATOM 586 N LEU A 74 4.794 7.493 12.731 1.00 28.28 N +ATOM 587 CA LEU A 74 5.355 7.532 11.379 1.00 29.04 C +ATOM 588 C LEU A 74 4.879 8.778 10.646 1.00 32.67 C +ATOM 589 O LEU A 74 5.473 9.181 9.643 1.00 32.43 O +ATOM 590 CB LEU A 74 4.959 6.274 10.593 1.00 29.54 C +ATOM 591 CG LEU A 74 5.704 5.004 10.963 1.00 35.48 C +ATOM 592 CD1 LEU A 74 4.957 3.776 10.462 1.00 36.40 C +ATOM 593 CD2 LEU A 74 7.122 5.023 10.394 1.00 39.50 C +ATOM 594 N LYS A 75 3.799 9.386 11.151 1.00 30.28 N +ATOM 595 CA LYS A 75 3.185 10.566 10.567 1.00 31.70 C +ATOM 596 C LYS A 75 3.628 11.843 11.265 1.00 36.14 C +ATOM 597 O LYS A 75 4.097 12.769 10.605 1.00 36.06 O +ATOM 598 CB LYS A 75 1.651 10.439 10.660 1.00 34.95 C +ATOM 599 CG LYS A 75 0.950 10.198 9.345 1.00 53.37 C +ATOM 600 CD LYS A 75 0.220 11.438 8.868 1.00 61.14 C +ATOM 601 CE LYS A 75 -1.126 11.093 8.290 1.00 66.94 C +ATOM 602 NZ LYS A 75 -1.898 12.306 7.917 1.00 77.91 N +ATOM 603 N TYR A 76 3.429 11.914 12.597 1.00 33.19 N +ATOM 604 CA TYR A 76 3.696 13.124 13.372 1.00 33.67 C +ATOM 605 C TYR A 76 4.560 12.871 14.590 1.00 37.02 C +ATOM 606 O TYR A 76 4.275 11.956 15.355 1.00 34.83 O +ATOM 607 CB TYR A 76 2.358 13.740 13.841 1.00 34.76 C +ATOM 608 CG TYR A 76 1.367 13.988 12.733 1.00 36.18 C +ATOM 609 CD1 TYR A 76 1.573 15.005 11.802 1.00 39.62 C +ATOM 610 CD2 TYR A 76 0.191 13.253 12.646 1.00 36.54 C +ATOM 611 CE1 TYR A 76 0.648 15.262 10.795 1.00 41.27 C +ATOM 612 CE2 TYR A 76 -0.761 13.523 11.659 1.00 38.16 C +ATOM 613 CZ TYR A 76 -0.531 14.537 10.743 1.00 47.57 C +ATOM 614 OH TYR A 76 -1.441 14.802 9.748 1.00 53.11 O +ATOM 615 N GLY A 77 5.567 13.719 14.779 1.00 36.33 N +ATOM 616 CA GLY A 77 6.472 13.647 15.923 1.00 37.60 C +ATOM 617 C GLY A 77 6.199 14.722 16.955 1.00 44.99 C +ATOM 618 O GLY A 77 5.148 15.365 16.914 1.00 43.96 O +ATOM 619 N LYS A 78 7.165 14.946 17.872 1.00 46.09 N +ATOM 620 CA LYS A 78 7.078 15.928 18.963 1.00 48.59 C +ATOM 621 C LYS A 78 6.739 17.345 18.478 1.00 54.96 C +ATOM 622 O LYS A 78 6.011 18.042 19.180 1.00 56.11 O +ATOM 623 CB LYS A 78 8.381 15.959 19.776 1.00 52.93 C +ATOM 624 CG LYS A 78 8.352 15.056 21.008 1.00 68.01 C +ATOM 625 CD LYS A 78 8.278 15.857 22.302 1.00 79.05 C +ATOM 626 CE LYS A 78 6.874 15.967 22.846 1.00 91.12 C +ATOM 627 NZ LYS A 78 6.820 16.839 24.049 1.00101.67 N +ATOM 628 N TYR A 79 7.237 17.759 17.281 1.00 51.69 N +ATOM 629 CA TYR A 79 6.969 19.084 16.702 1.00 53.15 C +ATOM 630 C TYR A 79 5.495 19.217 16.250 1.00 56.32 C +ATOM 631 O TYR A 79 4.964 20.331 16.253 1.00 57.18 O +ATOM 632 CB TYR A 79 7.931 19.394 15.527 1.00 55.50 C +ATOM 633 CG TYR A 79 7.761 20.785 14.950 1.00 59.84 C +ATOM 634 CD1 TYR A 79 8.278 21.901 15.602 1.00 63.88 C +ATOM 635 CD2 TYR A 79 7.059 20.989 13.767 1.00 60.93 C +ATOM 636 CE1 TYR A 79 8.099 23.186 15.089 1.00 66.83 C +ATOM 637 CE2 TYR A 79 6.855 22.271 13.256 1.00 63.87 C +ATOM 638 CZ TYR A 79 7.389 23.365 13.914 1.00 74.38 C +ATOM 639 OH TYR A 79 7.199 24.628 13.408 1.00 80.26 O +ATOM 640 N HIS A 80 4.840 18.092 15.877 1.00 50.54 N +ATOM 641 CA HIS A 80 3.439 18.084 15.441 1.00 49.56 C +ATOM 642 C HIS A 80 2.584 17.227 16.375 1.00 48.39 C +ATOM 643 O HIS A 80 1.757 16.426 15.929 1.00 46.74 O +ATOM 644 CB HIS A 80 3.323 17.614 13.983 1.00 50.75 C +ATOM 645 CG HIS A 80 3.888 18.596 13.010 1.00 56.30 C +ATOM 646 ND1 HIS A 80 3.271 19.814 12.772 1.00 60.32 N +ATOM 647 CD2 HIS A 80 5.006 18.517 12.258 1.00 58.39 C +ATOM 648 CE1 HIS A 80 4.032 20.431 11.887 1.00 61.07 C +ATOM 649 NE2 HIS A 80 5.082 19.683 11.542 1.00 60.36 N +ATOM 650 N ILE A 81 2.762 17.435 17.679 1.00 43.33 N +ATOM 651 CA ILE A 81 2.034 16.721 18.716 1.00 42.65 C +ATOM 652 C ILE A 81 0.522 17.058 18.647 1.00 46.64 C +ATOM 653 O ILE A 81 -0.303 16.162 18.848 1.00 45.26 O +ATOM 654 CB ILE A 81 2.659 16.971 20.129 1.00 46.71 C +ATOM 655 CG1 ILE A 81 2.003 16.093 21.221 1.00 46.49 C +ATOM 656 CG2 ILE A 81 2.677 18.459 20.527 1.00 49.55 C +ATOM 657 CD1 ILE A 81 2.272 14.537 21.068 1.00 54.60 C +ATOM 658 N ASN A 82 0.168 18.320 18.318 1.00 44.16 N +ATOM 659 CA ASN A 82 -1.222 18.746 18.187 1.00 44.76 C +ATOM 660 C ASN A 82 -1.885 18.011 17.015 1.00 46.83 C +ATOM 661 O ASN A 82 -3.030 17.584 17.145 1.00 46.89 O +ATOM 662 CB ASN A 82 -1.307 20.264 18.008 1.00 51.76 C +ATOM 663 CG ASN A 82 -0.844 21.047 19.220 1.00 84.91 C +ATOM 664 OD1 ASN A 82 0.315 21.468 19.314 1.00 80.22 O +ATOM 665 ND2 ASN A 82 -1.739 21.251 20.184 1.00 77.60 N +ATOM 666 N GLU A 83 -1.158 17.824 15.893 1.00 42.06 N +ATOM 667 CA GLU A 83 -1.668 17.092 14.721 1.00 41.62 C +ATOM 668 C GLU A 83 -1.801 15.598 15.043 1.00 43.69 C +ATOM 669 O GLU A 83 -2.750 14.960 14.581 1.00 44.35 O +ATOM 670 CB GLU A 83 -0.781 17.304 13.483 1.00 43.29 C +ATOM 671 CG GLU A 83 -0.827 18.720 12.916 1.00 55.71 C +ATOM 672 CD GLU A 83 0.163 19.741 13.454 1.00 78.26 C +ATOM 673 OE1 GLU A 83 0.582 20.619 12.665 1.00 93.61 O +ATOM 674 OE2 GLU A 83 0.507 19.688 14.656 1.00 63.73 O +ATOM 675 N PHE A 84 -0.875 15.057 15.863 1.00 37.70 N +ATOM 676 CA PHE A 84 -0.885 13.659 16.318 1.00 35.60 C +ATOM 677 C PHE A 84 -2.157 13.363 17.132 1.00 39.31 C +ATOM 678 O PHE A 84 -2.871 12.412 16.817 1.00 38.14 O +ATOM 679 CB PHE A 84 0.366 13.358 17.173 1.00 36.38 C +ATOM 680 CG PHE A 84 0.470 11.936 17.689 1.00 36.00 C +ATOM 681 CD1 PHE A 84 -0.252 11.527 18.808 1.00 37.86 C +ATOM 682 CD2 PHE A 84 1.328 11.023 17.088 1.00 36.77 C +ATOM 683 CE1 PHE A 84 -0.170 10.209 19.271 1.00 38.29 C +ATOM 684 CE2 PHE A 84 1.433 9.714 17.575 1.00 38.97 C +ATOM 685 CZ PHE A 84 0.676 9.314 18.657 1.00 36.57 C +ATOM 686 N GLU A 85 -2.404 14.162 18.195 1.00 37.06 N +ATOM 687 CA GLU A 85 -3.547 14.033 19.096 1.00 37.73 C +ATOM 688 C GLU A 85 -4.866 14.259 18.374 1.00 43.51 C +ATOM 689 O GLU A 85 -5.836 13.563 18.679 1.00 42.91 O +ATOM 690 CB GLU A 85 -3.430 15.007 20.276 1.00 40.20 C +ATOM 691 CG GLU A 85 -2.542 14.503 21.402 1.00 51.30 C +ATOM 692 CD GLU A 85 -2.988 13.199 22.039 1.00 69.43 C +ATOM 693 OE1 GLU A 85 -4.177 13.097 22.422 1.00 69.71 O +ATOM 694 OE2 GLU A 85 -2.157 12.266 22.119 1.00 54.19 O +ATOM 695 N GLU A 86 -4.902 15.209 17.405 1.00 40.97 N +ATOM 696 CA GLU A 86 -6.098 15.509 16.609 1.00 41.90 C +ATOM 697 C GLU A 86 -6.560 14.275 15.831 1.00 44.66 C +ATOM 698 O GLU A 86 -7.738 13.923 15.910 1.00 44.68 O +ATOM 699 CB GLU A 86 -5.863 16.688 15.652 1.00 44.69 C +ATOM 700 CG GLU A 86 -7.128 17.206 14.983 1.00 56.27 C +ATOM 701 CD GLU A 86 -8.264 17.610 15.905 1.00 75.96 C +ATOM 702 OE1 GLU A 86 -8.003 18.319 16.904 1.00 77.61 O +ATOM 703 OE2 GLU A 86 -9.422 17.232 15.614 1.00 68.26 O +ATOM 704 N GLU A 87 -5.634 13.623 15.099 1.00 39.56 N +ATOM 705 CA GLU A 87 -5.906 12.407 14.347 1.00 38.92 C +ATOM 706 C GLU A 87 -6.291 11.265 15.295 1.00 40.27 C +ATOM 707 O GLU A 87 -7.268 10.574 15.038 1.00 40.64 O +ATOM 708 CB GLU A 87 -4.693 12.003 13.495 1.00 39.68 C +ATOM 709 CG GLU A 87 -4.757 12.538 12.075 1.00 53.48 C +ATOM 710 CD GLU A 87 -4.414 11.563 10.963 1.00 70.99 C +ATOM 711 OE1 GLU A 87 -4.866 10.396 11.016 1.00 63.71 O +ATOM 712 OE2 GLU A 87 -3.769 12.002 9.986 1.00 63.86 O +ATOM 713 N LEU A 88 -5.546 11.082 16.396 1.00 35.16 N +ATOM 714 CA LEU A 88 -5.842 10.024 17.364 1.00 34.29 C +ATOM 715 C LEU A 88 -7.245 10.208 17.967 1.00 37.99 C +ATOM 716 O LEU A 88 -8.000 9.240 18.043 1.00 36.42 O +ATOM 717 CB LEU A 88 -4.776 9.989 18.467 1.00 33.92 C +ATOM 718 CG LEU A 88 -4.846 8.822 19.451 1.00 38.83 C +ATOM 719 CD1 LEU A 88 -4.563 7.485 18.763 1.00 37.83 C +ATOM 720 CD2 LEU A 88 -3.893 9.047 20.597 1.00 42.41 C +ATOM 721 N LEU A 89 -7.604 11.452 18.346 1.00 35.65 N +ATOM 722 CA LEU A 89 -8.913 11.734 18.922 1.00 36.78 C +ATOM 723 C LEU A 89 -10.032 11.586 17.913 1.00 40.89 C +ATOM 724 O LEU A 89 -11.102 11.160 18.307 1.00 40.96 O +ATOM 725 CB LEU A 89 -8.973 13.118 19.551 1.00 38.50 C +ATOM 726 CG LEU A 89 -8.373 13.223 20.939 1.00 43.96 C +ATOM 727 CD1 LEU A 89 -8.009 14.647 21.245 1.00 46.09 C +ATOM 728 CD2 LEU A 89 -9.324 12.667 22.012 1.00 46.28 C +ATOM 729 N PHE A 90 -9.809 11.905 16.624 1.00 38.39 N +ATOM 730 CA PHE A 90 -10.877 11.766 15.635 1.00 39.85 C +ATOM 731 C PHE A 90 -11.201 10.280 15.401 1.00 43.37 C +ATOM 732 O PHE A 90 -12.368 9.942 15.206 1.00 45.25 O +ATOM 733 CB APHE A 90 -10.548 12.480 14.319 0.63 42.40 C +ATOM 734 CB BPHE A 90 -10.526 12.510 14.321 0.37 42.73 C +ATOM 735 CG APHE A 90 -11.723 13.277 13.814 0.63 46.33 C +ATOM 736 CG BPHE A 90 -10.431 11.703 13.043 0.37 44.49 C +ATOM 737 CD1APHE A 90 -12.783 12.652 13.164 0.63 50.54 C +ATOM 738 CD1BPHE A 90 -11.559 11.460 12.269 0.37 49.37 C +ATOM 739 CD2APHE A 90 -11.794 14.649 14.024 0.63 50.01 C +ATOM 740 CD2BPHE A 90 -9.206 11.227 12.591 0.37 45.48 C +ATOM 741 CE1APHE A 90 -13.885 13.385 12.723 0.63 54.15 C +ATOM 742 CE1BPHE A 90 -11.470 10.717 11.088 0.37 50.61 C +ATOM 743 CE2APHE A 90 -12.900 15.384 13.583 0.63 55.66 C +ATOM 744 CE2BPHE A 90 -9.116 10.493 11.405 0.37 48.66 C +ATOM 745 CZ APHE A 90 -13.936 14.748 12.932 0.63 54.96 C +ATOM 746 CZ BPHE A 90 -10.248 10.244 10.660 0.37 48.45 C +ATOM 747 N LEU A 91 -10.193 9.404 15.448 1.00 38.41 N +ATOM 748 CA LEU A 91 -10.419 7.960 15.319 1.00 37.89 C +ATOM 749 C LEU A 91 -10.983 7.390 16.622 1.00 37.86 C +ATOM 750 O LEU A 91 -11.955 6.639 16.581 1.00 37.71 O +ATOM 751 CB LEU A 91 -9.133 7.220 14.940 1.00 37.33 C +ATOM 752 CG LEU A 91 -8.526 7.538 13.579 1.00 44.02 C +ATOM 753 CD1 LEU A 91 -7.060 7.128 13.541 1.00 43.33 C +ATOM 754 CD2 LEU A 91 -9.333 6.902 12.443 1.00 48.35 C +ATOM 755 N PHE A 92 -10.380 7.760 17.773 1.00 33.13 N +ATOM 756 CA PHE A 92 -10.768 7.268 19.104 1.00 32.97 C +ATOM 757 C PHE A 92 -11.045 8.434 20.098 1.00 36.15 C +ATOM 758 O PHE A 92 -10.187 8.747 20.932 1.00 33.76 O +ATOM 759 CB PHE A 92 -9.688 6.319 19.670 1.00 33.61 C +ATOM 760 CG PHE A 92 -9.363 5.137 18.786 1.00 34.93 C +ATOM 761 CD1 PHE A 92 -10.130 3.980 18.834 1.00 37.74 C +ATOM 762 CD2 PHE A 92 -8.287 5.182 17.906 1.00 37.24 C +ATOM 763 CE1 PHE A 92 -9.845 2.898 18.001 1.00 38.91 C +ATOM 764 CE2 PHE A 92 -8.004 4.100 17.068 1.00 40.05 C +ATOM 765 CZ PHE A 92 -8.797 2.972 17.108 1.00 38.30 C +ATOM 766 N PRO A 93 -12.246 9.066 20.052 1.00 33.93 N +ATOM 767 CA PRO A 93 -12.528 10.168 21.000 1.00 34.67 C +ATOM 768 C PRO A 93 -12.699 9.685 22.447 1.00 38.11 C +ATOM 769 O PRO A 93 -12.614 10.486 23.373 1.00 37.39 O +ATOM 770 CB PRO A 93 -13.806 10.808 20.452 1.00 38.67 C +ATOM 771 CG PRO A 93 -14.446 9.760 19.621 1.00 43.27 C +ATOM 772 CD PRO A 93 -13.367 8.851 19.112 1.00 36.76 C +ATOM 773 N ASN A 94 -12.898 8.372 22.635 1.00 34.83 N +ATOM 774 CA ASN A 94 -13.029 7.724 23.940 1.00 34.76 C +ATOM 775 C ASN A 94 -11.661 7.152 24.395 1.00 37.87 C +ATOM 776 O ASN A 94 -11.630 6.335 25.316 1.00 38.63 O +ATOM 777 CB ASN A 94 -14.101 6.602 23.868 1.00 35.75 C +ATOM 778 CG ASN A 94 -13.856 5.521 22.812 1.00 53.77 C +ATOM 779 OD1 ASN A 94 -13.151 5.715 21.810 1.00 39.24 O +ATOM 780 ND2 ASN A 94 -14.485 4.360 22.985 1.00 47.18 N +ATOM 781 N LYS A 95 -10.536 7.604 23.774 1.00 33.39 N +ATOM 782 CA LYS A 95 -9.173 7.111 24.051 1.00 32.12 C +ATOM 783 C LYS A 95 -8.831 7.020 25.555 1.00 36.35 C +ATOM 784 O LYS A 95 -8.181 6.050 25.936 1.00 35.50 O +ATOM 785 CB LYS A 95 -8.081 7.908 23.309 1.00 33.92 C +ATOM 786 CG LYS A 95 -7.983 9.396 23.614 1.00 47.57 C +ATOM 787 CD LYS A 95 -6.706 9.979 23.024 1.00 56.11 C +ATOM 788 CE LYS A 95 -5.849 10.629 24.081 1.00 64.08 C +ATOM 789 NZ LYS A 95 -4.407 10.603 23.712 1.00 70.50 N +ATOM 790 N GLU A 96 -9.280 7.983 26.392 1.00 33.98 N +ATOM 791 CA GLU A 96 -8.998 7.972 27.840 1.00 35.18 C +ATOM 792 C GLU A 96 -9.741 6.836 28.540 1.00 41.22 C +ATOM 793 O GLU A 96 -9.119 6.112 29.316 1.00 42.11 O +ATOM 794 CB GLU A 96 -9.304 9.322 28.510 1.00 37.80 C +ATOM 795 CG GLU A 96 -8.258 10.372 28.144 1.00 49.77 C +ATOM 796 CD GLU A 96 -8.272 11.725 28.833 1.00 71.39 C +ATOM 797 OE1 GLU A 96 -9.206 12.010 29.619 1.00 53.50 O +ATOM 798 OE2 GLU A 96 -7.333 12.511 28.573 1.00 74.61 O +ATOM 799 N ALA A 97 -11.030 6.628 28.223 1.00 38.25 N +ATOM 800 CA ALA A 97 -11.801 5.514 28.782 1.00 38.39 C +ATOM 801 C ALA A 97 -11.228 4.146 28.319 1.00 41.65 C +ATOM 802 O ALA A 97 -11.238 3.205 29.112 1.00 42.02 O +ATOM 803 CB ALA A 97 -13.266 5.637 28.402 1.00 39.97 C +ATOM 804 N ILE A 98 -10.697 4.048 27.070 1.00 36.69 N +ATOM 805 CA ILE A 98 -10.069 2.818 26.553 1.00 35.43 C +ATOM 806 C ILE A 98 -8.859 2.485 27.426 1.00 41.23 C +ATOM 807 O ILE A 98 -8.722 1.359 27.899 1.00 41.60 O +ATOM 808 CB ILE A 98 -9.647 2.949 25.058 1.00 37.26 C +ATOM 809 CG1 ILE A 98 -10.863 3.106 24.112 1.00 37.70 C +ATOM 810 CG2 ILE A 98 -8.723 1.776 24.622 1.00 36.33 C +ATOM 811 CD1 ILE A 98 -10.497 3.466 22.650 1.00 32.21 C +ATOM 812 N LEU A 99 -7.986 3.480 27.628 1.00 39.04 N +ATOM 813 CA LEU A 99 -6.767 3.342 28.399 1.00 39.89 C +ATOM 814 C LEU A 99 -7.061 3.003 29.866 1.00 41.36 C +ATOM 815 O LEU A 99 -6.406 2.111 30.403 1.00 40.58 O +ATOM 816 CB LEU A 99 -5.925 4.622 28.291 1.00 40.90 C +ATOM 817 CG LEU A 99 -5.228 4.841 26.943 1.00 47.15 C +ATOM 818 CD1 LEU A 99 -4.863 6.303 26.749 1.00 48.56 C +ATOM 819 CD2 LEU A 99 -3.994 3.965 26.807 1.00 51.45 C +ATOM 820 N ILE A 100 -8.076 3.654 30.479 1.00 36.13 N +ATOM 821 CA ILE A 100 -8.455 3.424 31.876 1.00 37.08 C +ATOM 822 C ILE A 100 -8.969 1.996 32.053 1.00 41.25 C +ATOM 823 O ILE A 100 -8.543 1.318 32.992 1.00 41.66 O +ATOM 824 CB ILE A 100 -9.474 4.484 32.423 1.00 41.24 C +ATOM 825 CG1 ILE A 100 -8.847 5.904 32.552 1.00 42.28 C +ATOM 826 CG2 ILE A 100 -10.132 4.048 33.747 1.00 42.21 C +ATOM 827 CD1 ILE A 100 -7.701 6.094 33.568 1.00 55.74 C +ATOM 828 N ASN A 101 -9.876 1.545 31.164 1.00 37.50 N +ATOM 829 CA ASN A 101 -10.452 0.204 31.228 1.00 37.35 C +ATOM 830 C ASN A 101 -9.378 -0.877 30.973 1.00 39.61 C +ATOM 831 O ASN A 101 -9.440 -1.936 31.584 1.00 39.81 O +ATOM 832 CB ASN A 101 -11.619 0.065 30.252 1.00 39.13 C +ATOM 833 CG ASN A 101 -12.222 -1.324 30.205 1.00 70.85 C +ATOM 834 OD1 ASN A 101 -12.842 -1.793 31.167 1.00 76.40 O +ATOM 835 ND2 ASN A 101 -12.014 -2.029 29.101 1.00 56.86 N +ATOM 836 N LEU A 102 -8.394 -0.607 30.101 1.00 35.75 N +ATOM 837 CA LEU A 102 -7.336 -1.568 29.814 1.00 35.64 C +ATOM 838 C LEU A 102 -6.475 -1.837 31.068 1.00 40.56 C +ATOM 839 O LEU A 102 -6.273 -3.005 31.423 1.00 40.53 O +ATOM 840 CB LEU A 102 -6.463 -1.097 28.637 1.00 34.81 C +ATOM 841 CG LEU A 102 -5.273 -1.974 28.261 1.00 39.75 C +ATOM 842 CD1 LEU A 102 -5.698 -3.424 28.061 1.00 40.85 C +ATOM 843 CD2 LEU A 102 -4.591 -1.445 27.016 1.00 42.59 C +ATOM 844 N ILE A 103 -5.996 -0.771 31.731 1.00 37.50 N +ATOM 845 CA ILE A 103 -5.159 -0.854 32.931 1.00 38.83 C +ATOM 846 C ILE A 103 -5.913 -1.570 34.056 1.00 42.66 C +ATOM 847 O ILE A 103 -5.323 -2.444 34.692 1.00 41.60 O +ATOM 848 CB ILE A 103 -4.628 0.547 33.367 1.00 42.94 C +ATOM 849 CG1 ILE A 103 -3.822 1.228 32.223 1.00 43.39 C +ATOM 850 CG2 ILE A 103 -3.783 0.476 34.639 1.00 44.18 C +ATOM 851 CD1 ILE A 103 -2.824 0.296 31.347 1.00 52.16 C +ATOM 852 N ASN A 104 -7.217 -1.231 34.265 1.00 39.29 N +ATOM 853 CA ASN A 104 -8.068 -1.871 35.268 1.00 40.13 C +ATOM 854 C ASN A 104 -8.181 -3.370 34.998 1.00 41.68 C +ATOM 855 O ASN A 104 -7.946 -4.154 35.902 1.00 42.20 O +ATOM 856 CB ASN A 104 -9.472 -1.245 35.297 1.00 44.86 C +ATOM 857 CG ASN A 104 -9.579 0.149 35.872 1.00 71.50 C +ATOM 858 OD1 ASN A 104 -8.596 0.800 36.241 1.00 62.09 O +ATOM 859 ND2 ASN A 104 -10.801 0.648 35.935 1.00 69.88 N +ATOM 860 N LYS A 105 -8.507 -3.760 33.746 1.00 36.44 N +ATOM 861 CA LYS A 105 -8.670 -5.157 33.323 1.00 36.18 C +ATOM 862 C LYS A 105 -7.385 -5.966 33.561 1.00 40.77 C +ATOM 863 O LYS A 105 -7.466 -7.054 34.134 1.00 41.29 O +ATOM 864 CB LYS A 105 -9.094 -5.228 31.847 1.00 36.40 C +ATOM 865 CG LYS A 105 -9.336 -6.646 31.327 1.00 38.13 C +ATOM 866 CD LYS A 105 -9.881 -6.688 29.889 1.00 44.14 C +ATOM 867 CE LYS A 105 -9.011 -5.971 28.879 1.00 45.77 C +ATOM 868 NZ LYS A 105 -9.470 -6.224 27.495 1.00 57.05 N +ATOM 869 N LEU A 106 -6.215 -5.429 33.153 1.00 37.27 N +ATOM 870 CA LEU A 106 -4.908 -6.087 33.340 1.00 37.97 C +ATOM 871 C LEU A 106 -4.562 -6.226 34.819 1.00 42.77 C +ATOM 872 O LEU A 106 -3.948 -7.223 35.214 1.00 44.25 O +ATOM 873 CB LEU A 106 -3.782 -5.316 32.621 1.00 36.98 C +ATOM 874 CG LEU A 106 -3.786 -5.325 31.086 1.00 40.42 C +ATOM 875 CD1 LEU A 106 -2.731 -4.385 30.560 1.00 39.59 C +ATOM 876 CD2 LEU A 106 -3.537 -6.734 30.527 1.00 43.58 C +ATOM 877 N HIS A 107 -4.977 -5.246 35.634 1.00 38.51 N +ATOM 878 CA HIS A 107 -4.732 -5.247 37.075 1.00 40.40 C +ATOM 879 C HIS A 107 -5.566 -6.294 37.825 1.00 48.86 C +ATOM 880 O HIS A 107 -5.077 -6.872 38.800 1.00 49.55 O +ATOM 881 CB HIS A 107 -5.002 -3.865 37.669 1.00 40.19 C +ATOM 882 CG HIS A 107 -4.529 -3.739 39.080 1.00 44.70 C +ATOM 883 ND1 HIS A 107 -3.215 -4.001 39.427 1.00 47.07 N +ATOM 884 CD2 HIS A 107 -5.206 -3.375 40.189 1.00 46.65 C +ATOM 885 CE1 HIS A 107 -3.138 -3.789 40.730 1.00 47.45 C +ATOM 886 NE2 HIS A 107 -4.300 -3.392 41.226 1.00 47.94 N +ATOM 887 N GLN A 108 -6.825 -6.509 37.398 1.00 48.37 N +ATOM 888 CA GLN A 108 -7.738 -7.468 38.023 1.00 51.52 C +ATOM 889 C GLN A 108 -7.498 -8.894 37.543 1.00 60.09 C +ATOM 890 O GLN A 108 -7.647 -9.827 38.332 1.00 62.08 O +ATOM 891 CB GLN A 108 -9.194 -7.083 37.742 1.00 52.73 C +ATOM 892 CG GLN A 108 -9.776 -6.160 38.787 1.00 67.85 C +ATOM 893 CD GLN A 108 -10.182 -4.850 38.186 1.00 85.79 C +ATOM 894 OE1 GLN A 108 -11.256 -4.721 37.595 1.00 81.92 O +ATOM 895 NE2 GLN A 108 -9.329 -3.847 38.333 1.00 78.75 N +ATOM 896 N LYS A 109 -7.146 -9.065 36.258 1.00 58.53 N +ATOM 897 CA LYS A 109 -6.952 -10.373 35.635 1.00 60.89 C +ATOM 898 C LYS A 109 -5.679 -11.068 36.078 1.00 69.37 C +ATOM 899 O LYS A 109 -4.590 -10.511 35.959 1.00 68.61 O +ATOM 900 CB LYS A 109 -6.969 -10.273 34.100 1.00 62.02 C +ATOM 901 CG LYS A 109 -8.385 -10.205 33.521 1.00 77.82 C +ATOM 902 CD LYS A 109 -8.482 -10.724 32.083 1.00 85.16 C +ATOM 903 CE LYS A 109 -8.718 -12.218 32.001 1.00 96.24 C +ATOM 904 NZ LYS A 109 -8.954 -12.670 30.603 1.00104.01 N +ATOM 905 N LYS A 110 -5.828 -12.309 36.573 1.00 70.29 N +ATOM 906 CA LYS A 110 -4.713 -13.174 36.949 1.00 77.55 C +ATOM 907 C LYS A 110 -4.806 -14.495 36.170 1.00100.88 C +ATOM 908 O LYS A 110 -3.788 -14.900 35.569 1.00105.71 O +ATOM 909 CB LYS A 110 -4.639 -13.418 38.466 1.00 82.21 C +ATOM 910 CG LYS A 110 -3.238 -13.194 39.053 1.00 98.13 C +ATOM 911 CD LYS A 110 -2.180 -14.171 38.507 1.00108.06 C +ATOM 912 CE LYS A 110 -0.897 -14.142 39.289 1.00119.92 C +ATOM 913 NZ LYS A 110 -0.399 -15.518 39.550 1.00131.11 N +ATOM 914 OXT LYS A 110 -5.904 -15.092 36.118 1.00123.95 O +TER 915 LYS A 110 +END diff --git a/bench/main_benchmark/structures/SFB_FS_XCL1_1J8IA_2JP1A/state_a.pdb b/bench/main_benchmark/structures/SFB_FS_XCL1_1J8IA_2JP1A/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..ff9e7246bfc984abbe8ebb9eb28b2815bc249c42 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_XCL1_1J8IA_2JP1A/state_a.pdb @@ -0,0 +1,1469 @@ +MODEL 1 +ATOM 1 N VAL A 1 -13.518 6.697 -26.447 1.00 0.00 N +ATOM 2 CA VAL A 1 -12.770 6.697 -27.692 1.00 0.00 C +ATOM 3 C VAL A 1 -11.331 7.139 -27.418 1.00 0.00 C +ATOM 4 O VAL A 1 -10.384 6.447 -27.789 1.00 0.00 O +ATOM 5 CB VAL A 1 -13.477 7.574 -28.728 1.00 0.00 C +ATOM 6 CG1 VAL A 1 -12.605 7.767 -29.970 1.00 0.00 C +ATOM 7 CG2 VAL A 1 -14.841 6.990 -29.101 1.00 0.00 C +ATOM 8 H VAL A 1 -12.959 6.697 -25.618 1.00 0.00 H +ATOM 9 HA VAL A 1 -12.757 5.674 -28.069 1.00 0.00 H +ATOM 10 HB VAL A 1 -13.643 8.553 -28.280 1.00 0.00 H +ATOM 11 HG11 VAL A 1 -12.275 8.804 -30.025 1.00 0.00 H +ATOM 12 HG12 VAL A 1 -11.736 7.112 -29.909 1.00 0.00 H +ATOM 13 HG13 VAL A 1 -13.183 7.522 -30.861 1.00 0.00 H +ATOM 14 HG21 VAL A 1 -15.093 7.278 -30.122 1.00 0.00 H +ATOM 15 HG22 VAL A 1 -14.803 5.903 -29.029 1.00 0.00 H +ATOM 16 HG23 VAL A 1 -15.599 7.372 -28.418 1.00 0.00 H +ATOM 17 N GLY A 2 -11.212 8.288 -26.770 1.00 0.00 N +ATOM 18 CA GLY A 2 -9.905 8.830 -26.441 1.00 0.00 C +ATOM 19 C GLY A 2 -10.034 10.103 -25.602 1.00 0.00 C +ATOM 20 O GLY A 2 -10.910 10.930 -25.853 1.00 0.00 O +ATOM 21 H GLY A 2 -11.987 8.844 -26.471 1.00 0.00 H +ATOM 22 HA2 GLY A 2 -9.326 8.087 -25.893 1.00 0.00 H +ATOM 23 HA3 GLY A 2 -9.357 9.049 -27.357 1.00 0.00 H +ATOM 24 N SER A 3 -9.149 10.221 -24.623 1.00 0.00 N +ATOM 25 CA SER A 3 -9.153 11.379 -23.745 1.00 0.00 C +ATOM 26 C SER A 3 -8.127 11.192 -22.627 1.00 0.00 C +ATOM 27 O SER A 3 -7.352 10.236 -22.644 1.00 0.00 O +ATOM 28 CB SER A 3 -10.544 11.617 -23.154 1.00 0.00 C +ATOM 29 OG SER A 3 -11.127 12.827 -23.632 1.00 0.00 O +ATOM 30 H SER A 3 -8.440 9.544 -24.426 1.00 0.00 H +ATOM 31 HA SER A 3 -8.879 12.222 -24.379 1.00 0.00 H +ATOM 32 HB2 SER A 3 -11.193 10.778 -23.405 1.00 0.00 H +ATOM 33 HB3 SER A 3 -10.475 11.653 -22.067 1.00 0.00 H +ATOM 34 HG SER A 3 -12.125 12.752 -23.624 1.00 0.00 H +ATOM 35 N GLU A 4 -8.153 12.120 -21.681 1.00 0.00 N +ATOM 36 CA GLU A 4 -7.234 12.069 -20.557 1.00 0.00 C +ATOM 37 C GLU A 4 -7.647 10.964 -19.583 1.00 0.00 C +ATOM 38 O GLU A 4 -8.678 10.319 -19.771 1.00 0.00 O +ATOM 39 CB GLU A 4 -7.158 13.423 -19.849 1.00 0.00 C +ATOM 40 CG GLU A 4 -8.522 13.822 -19.281 1.00 0.00 C +ATOM 41 CD GLU A 4 -9.203 14.864 -20.170 1.00 0.00 C +ATOM 42 OE1 GLU A 4 -8.552 15.899 -20.433 1.00 0.00 O +ATOM 43 OE2 GLU A 4 -10.359 14.603 -20.568 1.00 0.00 O +ATOM 44 H GLU A 4 -8.786 12.894 -21.675 1.00 0.00 H +ATOM 45 HA GLU A 4 -6.261 11.837 -20.989 1.00 0.00 H +ATOM 46 HB2 GLU A 4 -6.424 13.376 -19.045 1.00 0.00 H +ATOM 47 HB3 GLU A 4 -6.815 14.185 -20.549 1.00 0.00 H +ATOM 48 HG2 GLU A 4 -9.157 12.940 -19.196 1.00 0.00 H +ATOM 49 HG3 GLU A 4 -8.397 14.223 -18.275 1.00 0.00 H +ATOM 50 N VAL A 5 -6.822 10.779 -18.563 1.00 0.00 N +ATOM 51 CA VAL A 5 -7.089 9.763 -17.559 1.00 0.00 C +ATOM 52 C VAL A 5 -7.709 8.537 -18.233 1.00 0.00 C +ATOM 53 O VAL A 5 -8.931 8.415 -18.306 1.00 0.00 O +ATOM 54 CB VAL A 5 -7.968 10.342 -16.448 1.00 0.00 C +ATOM 55 CG1 VAL A 5 -9.194 11.048 -17.031 1.00 0.00 C +ATOM 56 CG2 VAL A 5 -8.382 9.256 -15.454 1.00 0.00 C +ATOM 57 H VAL A 5 -5.986 11.308 -18.417 1.00 0.00 H +ATOM 58 HA VAL A 5 -6.134 9.476 -17.119 1.00 0.00 H +ATOM 59 HB VAL A 5 -7.379 11.084 -15.908 1.00 0.00 H +ATOM 60 HG11 VAL A 5 -8.894 12.009 -17.450 1.00 0.00 H +ATOM 61 HG12 VAL A 5 -9.630 10.430 -17.816 1.00 0.00 H +ATOM 62 HG13 VAL A 5 -9.929 11.209 -16.243 1.00 0.00 H +ATOM 63 HG21 VAL A 5 -8.874 9.717 -14.597 1.00 0.00 H +ATOM 64 HG22 VAL A 5 -9.070 8.563 -15.938 1.00 0.00 H +ATOM 65 HG23 VAL A 5 -7.498 8.715 -15.118 1.00 0.00 H +ATOM 66 N SER A 6 -6.838 7.659 -18.707 1.00 0.00 N +ATOM 67 CA SER A 6 -7.284 6.446 -19.373 1.00 0.00 C +ATOM 68 C SER A 6 -7.157 5.252 -18.425 1.00 0.00 C +ATOM 69 O SER A 6 -7.616 4.155 -18.738 1.00 0.00 O +ATOM 70 CB SER A 6 -6.485 6.195 -20.653 1.00 0.00 C +ATOM 71 OG SER A 6 -7.322 6.155 -21.806 1.00 0.00 O +ATOM 72 H SER A 6 -5.845 7.765 -18.643 1.00 0.00 H +ATOM 73 HA SER A 6 -8.329 6.624 -19.626 1.00 0.00 H +ATOM 74 HB2 SER A 6 -5.738 6.979 -20.774 1.00 0.00 H +ATOM 75 HB3 SER A 6 -5.945 5.252 -20.564 1.00 0.00 H +ATOM 76 HG SER A 6 -8.099 5.548 -21.643 1.00 0.00 H +ATOM 77 N ASP A 7 -6.531 5.506 -17.284 1.00 0.00 N +ATOM 78 CA ASP A 7 -6.338 4.466 -16.289 1.00 0.00 C +ATOM 79 C ASP A 7 -6.723 5.007 -14.911 1.00 0.00 C +ATOM 80 O ASP A 7 -7.422 4.339 -14.150 1.00 0.00 O +ATOM 81 CB ASP A 7 -4.875 4.024 -16.231 1.00 0.00 C +ATOM 82 CG ASP A 7 -4.556 2.741 -17.002 1.00 0.00 C +ATOM 83 OD1 ASP A 7 -5.067 2.619 -18.136 1.00 0.00 O +ATOM 84 OD2 ASP A 7 -3.809 1.912 -16.440 1.00 0.00 O +ATOM 85 H ASP A 7 -6.161 6.402 -17.037 1.00 0.00 H +ATOM 86 HA ASP A 7 -6.978 3.643 -16.607 1.00 0.00 H +ATOM 87 HB2 ASP A 7 -4.252 4.829 -16.621 1.00 0.00 H +ATOM 88 HB3 ASP A 7 -4.595 3.881 -15.187 1.00 0.00 H +ATOM 89 N LYS A 8 -6.251 6.213 -14.630 1.00 0.00 N +ATOM 90 CA LYS A 8 -6.537 6.852 -13.357 1.00 0.00 C +ATOM 91 C LYS A 8 -5.530 6.368 -12.311 1.00 0.00 C +ATOM 92 O LYS A 8 -4.671 5.540 -12.608 1.00 0.00 O +ATOM 93 CB LYS A 8 -7.996 6.622 -12.958 1.00 0.00 C +ATOM 94 CG LYS A 8 -8.649 7.925 -12.493 1.00 0.00 C +ATOM 95 CD LYS A 8 -9.425 7.715 -11.191 1.00 0.00 C +ATOM 96 CE LYS A 8 -8.981 8.715 -10.121 1.00 0.00 C +ATOM 97 NZ LYS A 8 -9.924 8.706 -8.981 1.00 0.00 N +ATOM 98 H LYS A 8 -5.684 6.750 -15.255 1.00 0.00 H +ATOM 99 HA LYS A 8 -6.405 7.925 -13.493 1.00 0.00 H +ATOM 100 HB2 LYS A 8 -8.549 6.216 -13.805 1.00 0.00 H +ATOM 101 HB3 LYS A 8 -8.047 5.881 -12.161 1.00 0.00 H +ATOM 102 HG2 LYS A 8 -7.884 8.687 -12.346 1.00 0.00 H +ATOM 103 HG3 LYS A 8 -9.323 8.295 -13.266 1.00 0.00 H +ATOM 104 HD2 LYS A 8 -10.493 7.827 -11.378 1.00 0.00 H +ATOM 105 HD3 LYS A 8 -9.269 6.698 -10.831 1.00 0.00 H +ATOM 106 HE2 LYS A 8 -7.979 8.464 -9.774 1.00 0.00 H +ATOM 107 HE3 LYS A 8 -8.929 9.716 -10.550 1.00 0.00 H +ATOM 108 HZ1 LYS A 8 -9.440 8.431 -8.150 1.00 0.00 H +ATOM 109 HZ2 LYS A 8 -10.306 9.622 -8.856 1.00 0.00 H +ATOM 110 HZ3 LYS A 8 -10.664 8.059 -9.165 1.00 0.00 H +ATOM 111 N ARG A 9 -5.670 6.907 -11.109 1.00 0.00 N +ATOM 112 CA ARG A 9 -4.783 6.541 -10.017 1.00 0.00 C +ATOM 113 C ARG A 9 -5.369 5.367 -9.229 1.00 0.00 C +ATOM 114 O ARG A 9 -4.813 4.270 -9.239 1.00 0.00 O +ATOM 115 CB ARG A 9 -4.559 7.721 -9.070 1.00 0.00 C +ATOM 116 CG ARG A 9 -3.127 7.728 -8.533 1.00 0.00 C +ATOM 117 CD ARG A 9 -2.619 9.159 -8.343 1.00 0.00 C +ATOM 118 NE ARG A 9 -1.268 9.142 -7.740 1.00 0.00 N +ATOM 119 CZ ARG A 9 -0.535 10.239 -7.506 1.00 0.00 C +ATOM 120 NH1 ARG A 9 -1.019 11.448 -7.823 1.00 0.00 N +ATOM 121 NH2 ARG A 9 0.681 10.127 -6.955 1.00 0.00 N +ATOM 122 H ARG A 9 -6.372 7.580 -10.876 1.00 0.00 H +ATOM 123 HA ARG A 9 -3.847 6.261 -10.501 1.00 0.00 H +ATOM 124 HB2 ARG A 9 -4.759 8.656 -9.595 1.00 0.00 H +ATOM 125 HB3 ARG A 9 -5.263 7.665 -8.240 1.00 0.00 H +ATOM 126 HG2 ARG A 9 -3.088 7.196 -7.583 1.00 0.00 H +ATOM 127 HG3 ARG A 9 -2.473 7.196 -9.223 1.00 0.00 H +ATOM 128 HD2 ARG A 9 -2.591 9.674 -9.304 1.00 0.00 H +ATOM 129 HD3 ARG A 9 -3.305 9.715 -7.703 1.00 0.00 H +ATOM 130 HE ARG A 9 -0.877 8.255 -7.492 1.00 0.00 H +ATOM 131 HH11 ARG A 9 -1.927 11.531 -8.234 1.00 0.00 H +ATOM 132 HH12 ARG A 9 -0.472 12.267 -7.648 1.00 0.00 H +ATOM 133 HH21 ARG A 9 1.042 9.225 -6.719 1.00 0.00 H +ATOM 134 HH22 ARG A 9 1.228 10.946 -6.780 1.00 0.00 H +ATOM 135 N THR A 10 -6.482 5.639 -8.565 1.00 0.00 N +ATOM 136 CA THR A 10 -7.149 4.619 -7.773 1.00 0.00 C +ATOM 137 C THR A 10 -7.487 3.406 -8.641 1.00 0.00 C +ATOM 138 O THR A 10 -6.734 2.434 -8.675 1.00 0.00 O +ATOM 139 CB THR A 10 -8.374 5.257 -7.116 1.00 0.00 C +ATOM 140 OG1 THR A 10 -7.826 6.205 -6.204 1.00 0.00 O +ATOM 141 CG2 THR A 10 -9.136 4.277 -6.221 1.00 0.00 C +ATOM 142 H THR A 10 -6.927 6.534 -8.562 1.00 0.00 H +ATOM 143 HA THR A 10 -6.459 4.278 -7.001 1.00 0.00 H +ATOM 144 HB THR A 10 -9.035 5.694 -7.865 1.00 0.00 H +ATOM 145 HG1 THR A 10 -7.430 6.973 -6.706 1.00 0.00 H +ATOM 146 HG21 THR A 10 -9.226 4.695 -5.218 1.00 0.00 H +ATOM 147 HG22 THR A 10 -10.130 4.106 -6.634 1.00 0.00 H +ATOM 148 HG23 THR A 10 -8.594 3.332 -6.174 1.00 0.00 H +ATOM 149 N CYS A 11 -8.620 3.502 -9.321 1.00 0.00 N +ATOM 150 CA CYS A 11 -9.067 2.425 -10.187 1.00 0.00 C +ATOM 151 C CYS A 11 -10.370 2.860 -10.862 1.00 0.00 C +ATOM 152 O CYS A 11 -10.620 4.053 -11.024 1.00 0.00 O +ATOM 153 CB CYS A 11 -9.234 1.113 -9.417 1.00 0.00 C +ATOM 154 SG CYS A 11 -10.714 1.036 -8.343 1.00 0.00 S +ATOM 155 H CYS A 11 -9.227 4.297 -9.287 1.00 0.00 H +ATOM 156 HA CYS A 11 -8.281 2.270 -10.926 1.00 0.00 H +ATOM 157 HB2 CYS A 11 -9.278 0.292 -10.132 1.00 0.00 H +ATOM 158 HB3 CYS A 11 -8.348 0.953 -8.802 1.00 0.00 H +ATOM 159 N VAL A 12 -11.164 1.868 -11.237 1.00 0.00 N +ATOM 160 CA VAL A 12 -12.435 2.134 -11.891 1.00 0.00 C +ATOM 161 C VAL A 12 -13.578 1.721 -10.962 1.00 0.00 C +ATOM 162 O VAL A 12 -14.230 2.571 -10.358 1.00 0.00 O +ATOM 163 CB VAL A 12 -12.482 1.428 -13.247 1.00 0.00 C +ATOM 164 CG1 VAL A 12 -12.486 2.443 -14.393 1.00 0.00 C +ATOM 165 CG2 VAL A 12 -11.323 0.441 -13.393 1.00 0.00 C +ATOM 166 H VAL A 12 -10.953 0.900 -11.101 1.00 0.00 H +ATOM 167 HA VAL A 12 -12.496 3.208 -12.066 1.00 0.00 H +ATOM 168 HB VAL A 12 -13.412 0.862 -13.298 1.00 0.00 H +ATOM 169 HG11 VAL A 12 -12.778 1.945 -15.318 1.00 0.00 H +ATOM 170 HG12 VAL A 12 -13.194 3.240 -14.170 1.00 0.00 H +ATOM 171 HG13 VAL A 12 -11.487 2.865 -14.507 1.00 0.00 H +ATOM 172 HG21 VAL A 12 -11.325 0.023 -14.400 1.00 0.00 H +ATOM 173 HG22 VAL A 12 -10.380 0.959 -13.216 1.00 0.00 H +ATOM 174 HG23 VAL A 12 -11.437 -0.363 -12.666 1.00 0.00 H +ATOM 175 N SER A 13 -13.786 0.415 -10.876 1.00 0.00 N +ATOM 176 CA SER A 13 -14.839 -0.121 -10.031 1.00 0.00 C +ATOM 177 C SER A 13 -14.228 -0.837 -8.824 1.00 0.00 C +ATOM 178 O SER A 13 -13.054 -0.645 -8.513 1.00 0.00 O +ATOM 179 CB SER A 13 -15.741 -1.077 -10.814 1.00 0.00 C +ATOM 180 OG SER A 13 -17.100 -0.648 -10.815 1.00 0.00 O +ATOM 181 H SER A 13 -13.251 -0.270 -11.371 1.00 0.00 H +ATOM 182 HA SER A 13 -15.419 0.744 -9.709 1.00 0.00 H +ATOM 183 HB2 SER A 13 -15.384 -1.152 -11.841 1.00 0.00 H +ATOM 184 HB3 SER A 13 -15.676 -2.074 -10.380 1.00 0.00 H +ATOM 185 HG SER A 13 -17.147 0.339 -10.664 1.00 0.00 H +ATOM 186 N LEU A 14 -15.053 -1.647 -8.177 1.00 0.00 N +ATOM 187 CA LEU A 14 -14.609 -2.393 -7.012 1.00 0.00 C +ATOM 188 C LEU A 14 -14.566 -3.884 -7.352 1.00 0.00 C +ATOM 189 O LEU A 14 -15.591 -4.563 -7.310 1.00 0.00 O +ATOM 190 CB LEU A 14 -15.482 -2.063 -5.800 1.00 0.00 C +ATOM 191 CG LEU A 14 -14.961 -0.958 -4.879 1.00 0.00 C +ATOM 192 CD1 LEU A 14 -15.966 -0.652 -3.767 1.00 0.00 C +ATOM 193 CD2 LEU A 14 -13.581 -1.314 -4.322 1.00 0.00 C +ATOM 194 H LEU A 14 -16.007 -1.798 -8.437 1.00 0.00 H +ATOM 195 HA LEU A 14 -13.596 -2.062 -6.779 1.00 0.00 H +ATOM 196 HB2 LEU A 14 -16.471 -1.774 -6.157 1.00 0.00 H +ATOM 197 HB3 LEU A 14 -15.609 -2.971 -5.210 1.00 0.00 H +ATOM 198 HG LEU A 14 -14.845 -0.048 -5.468 1.00 0.00 H +ATOM 199 HD11 LEU A 14 -15.485 -0.048 -2.997 1.00 0.00 H +ATOM 200 HD12 LEU A 14 -16.812 -0.103 -4.182 1.00 0.00 H +ATOM 201 HD13 LEU A 14 -16.319 -1.585 -3.329 1.00 0.00 H +ATOM 202 HD21 LEU A 14 -12.886 -0.500 -4.526 1.00 0.00 H +ATOM 203 HD22 LEU A 14 -13.653 -1.469 -3.245 1.00 0.00 H +ATOM 204 HD23 LEU A 14 -13.222 -2.227 -4.797 1.00 0.00 H +ATOM 205 N THR A 15 -13.370 -4.349 -7.680 1.00 0.00 N +ATOM 206 CA THR A 15 -13.180 -5.748 -8.026 1.00 0.00 C +ATOM 207 C THR A 15 -13.732 -6.030 -9.425 1.00 0.00 C +ATOM 208 O THR A 15 -13.527 -5.243 -10.348 1.00 0.00 O +ATOM 209 CB THR A 15 -13.831 -6.598 -6.933 1.00 0.00 C +ATOM 210 OG1 THR A 15 -13.589 -5.867 -5.734 1.00 0.00 O +ATOM 211 CG2 THR A 15 -13.103 -7.926 -6.713 1.00 0.00 C +ATOM 212 H THR A 15 -12.541 -3.790 -7.711 1.00 0.00 H +ATOM 213 HA THR A 15 -12.110 -5.952 -8.058 1.00 0.00 H +ATOM 214 HB THR A 15 -14.887 -6.763 -7.146 1.00 0.00 H +ATOM 215 HG1 THR A 15 -12.620 -5.919 -5.491 1.00 0.00 H +ATOM 216 HG21 THR A 15 -13.560 -8.698 -7.333 1.00 0.00 H +ATOM 217 HG22 THR A 15 -12.054 -7.814 -6.986 1.00 0.00 H +ATOM 218 HG23 THR A 15 -13.177 -8.211 -5.664 1.00 0.00 H +ATOM 219 N THR A 16 -14.422 -7.156 -9.538 1.00 0.00 N +ATOM 220 CA THR A 16 -15.005 -7.552 -10.809 1.00 0.00 C +ATOM 221 C THR A 16 -13.959 -8.248 -11.681 1.00 0.00 C +ATOM 222 O THR A 16 -14.285 -8.782 -12.741 1.00 0.00 O +ATOM 223 CB THR A 16 -15.608 -6.306 -11.461 1.00 0.00 C +ATOM 224 OG1 THR A 16 -16.773 -6.791 -12.123 1.00 0.00 O +ATOM 225 CG2 THR A 16 -14.737 -5.757 -12.593 1.00 0.00 C +ATOM 226 H THR A 16 -14.584 -7.790 -8.782 1.00 0.00 H +ATOM 227 HA THR A 16 -15.793 -8.278 -10.613 1.00 0.00 H +ATOM 228 HB THR A 16 -15.810 -5.536 -10.716 1.00 0.00 H +ATOM 229 HG1 THR A 16 -17.569 -6.701 -11.525 1.00 0.00 H +ATOM 230 HG21 THR A 16 -13.692 -5.991 -12.392 1.00 0.00 H +ATOM 231 HG22 THR A 16 -15.038 -6.213 -13.536 1.00 0.00 H +ATOM 232 HG23 THR A 16 -14.862 -4.676 -12.656 1.00 0.00 H +ATOM 233 N GLN A 17 -12.723 -8.221 -11.204 1.00 0.00 N +ATOM 234 CA GLN A 17 -11.627 -8.843 -11.927 1.00 0.00 C +ATOM 235 C GLN A 17 -10.666 -9.523 -10.951 1.00 0.00 C +ATOM 236 O GLN A 17 -9.704 -8.910 -10.492 1.00 0.00 O +ATOM 237 CB GLN A 17 -10.893 -7.820 -12.796 1.00 0.00 C +ATOM 238 CG GLN A 17 -10.421 -6.628 -11.960 1.00 0.00 C +ATOM 239 CD GLN A 17 -10.418 -5.343 -12.790 1.00 0.00 C +ATOM 240 OE1 GLN A 17 -11.450 -4.825 -13.184 1.00 0.00 O +ATOM 241 NE2 GLN A 17 -9.203 -4.859 -13.033 1.00 0.00 N +ATOM 242 H GLN A 17 -12.467 -7.785 -10.341 1.00 0.00 H +ATOM 243 HA GLN A 17 -12.092 -9.590 -12.571 1.00 0.00 H +ATOM 244 HB2 GLN A 17 -10.037 -8.293 -13.277 1.00 0.00 H +ATOM 245 HB3 GLN A 17 -11.553 -7.472 -13.591 1.00 0.00 H +ATOM 246 HG2 GLN A 17 -11.073 -6.505 -11.095 1.00 0.00 H +ATOM 247 HG3 GLN A 17 -9.419 -6.822 -11.579 1.00 0.00 H +ATOM 248 HE21 GLN A 17 -8.396 -5.333 -12.681 1.00 0.00 H +ATOM 249 HE22 GLN A 17 -9.097 -4.021 -13.569 1.00 0.00 H +ATOM 250 N ARG A 18 -10.959 -10.783 -10.663 1.00 0.00 N +ATOM 251 CA ARG A 18 -10.133 -11.554 -9.750 1.00 0.00 C +ATOM 252 C ARG A 18 -8.780 -11.867 -10.393 1.00 0.00 C +ATOM 253 O ARG A 18 -8.610 -12.918 -11.009 1.00 0.00 O +ATOM 254 CB ARG A 18 -10.819 -12.864 -9.358 1.00 0.00 C +ATOM 255 CG ARG A 18 -10.726 -13.102 -7.849 1.00 0.00 C +ATOM 256 CD ARG A 18 -10.158 -14.490 -7.547 1.00 0.00 C +ATOM 257 NE ARG A 18 -10.928 -15.124 -6.453 1.00 0.00 N +ATOM 258 CZ ARG A 18 -12.128 -15.697 -6.613 1.00 0.00 C +ATOM 259 NH1 ARG A 18 -12.705 -15.719 -7.823 1.00 0.00 N +ATOM 260 NH2 ARG A 18 -12.753 -16.248 -5.564 1.00 0.00 N +ATOM 261 H ARG A 18 -11.743 -11.275 -11.040 1.00 0.00 H +ATOM 262 HA ARG A 18 -10.012 -10.914 -8.875 1.00 0.00 H +ATOM 263 HB2 ARG A 18 -11.865 -12.835 -9.661 1.00 0.00 H +ATOM 264 HB3 ARG A 18 -10.355 -13.695 -9.890 1.00 0.00 H +ATOM 265 HG2 ARG A 18 -10.092 -12.340 -7.396 1.00 0.00 H +ATOM 266 HG3 ARG A 18 -11.714 -13.003 -7.400 1.00 0.00 H +ATOM 267 HD2 ARG A 18 -10.202 -15.112 -8.441 1.00 0.00 H +ATOM 268 HD3 ARG A 18 -9.108 -14.410 -7.265 1.00 0.00 H +ATOM 269 HE ARG A 18 -10.526 -15.125 -5.537 1.00 0.00 H +ATOM 270 HH11 ARG A 18 -12.238 -15.308 -8.606 1.00 0.00 H +ATOM 271 HH12 ARG A 18 -13.601 -16.146 -7.942 1.00 0.00 H +ATOM 272 HH21 ARG A 18 -12.323 -16.232 -4.661 1.00 0.00 H +ATOM 273 HH22 ARG A 18 -13.649 -16.675 -5.683 1.00 0.00 H +ATOM 274 N LEU A 19 -7.853 -10.935 -10.229 1.00 0.00 N +ATOM 275 CA LEU A 19 -6.521 -11.098 -10.787 1.00 0.00 C +ATOM 276 C LEU A 19 -5.692 -11.993 -9.862 1.00 0.00 C +ATOM 277 O LEU A 19 -5.816 -11.913 -8.641 1.00 0.00 O +ATOM 278 CB LEU A 19 -5.883 -9.735 -11.058 1.00 0.00 C +ATOM 279 CG LEU A 19 -6.232 -9.085 -12.398 1.00 0.00 C +ATOM 280 CD1 LEU A 19 -7.631 -8.467 -12.360 1.00 0.00 C +ATOM 281 CD2 LEU A 19 -5.167 -8.067 -12.808 1.00 0.00 C +ATOM 282 H LEU A 19 -7.999 -10.083 -9.727 1.00 0.00 H +ATOM 283 HA LEU A 19 -6.628 -11.601 -11.748 1.00 0.00 H +ATOM 284 HB2 LEU A 19 -6.175 -9.053 -10.259 1.00 0.00 H +ATOM 285 HB3 LEU A 19 -4.800 -9.845 -11.001 1.00 0.00 H +ATOM 286 HG LEU A 19 -6.245 -9.863 -13.162 1.00 0.00 H +ATOM 287 HD11 LEU A 19 -8.368 -9.219 -12.644 1.00 0.00 H +ATOM 288 HD12 LEU A 19 -7.844 -8.112 -11.351 1.00 0.00 H +ATOM 289 HD13 LEU A 19 -7.678 -7.630 -13.057 1.00 0.00 H +ATOM 290 HD21 LEU A 19 -5.175 -7.230 -12.109 1.00 0.00 H +ATOM 291 HD22 LEU A 19 -4.186 -8.541 -12.795 1.00 0.00 H +ATOM 292 HD23 LEU A 19 -5.380 -7.702 -13.813 1.00 0.00 H +ATOM 293 N PRO A 20 -4.843 -12.845 -10.497 1.00 0.00 N +ATOM 294 CA PRO A 20 -3.994 -13.753 -9.745 1.00 0.00 C +ATOM 295 C PRO A 20 -2.822 -13.005 -9.106 1.00 0.00 C +ATOM 296 O PRO A 20 -2.220 -12.135 -9.734 1.00 0.00 O +ATOM 297 CB PRO A 20 -3.552 -14.803 -10.751 1.00 0.00 C +ATOM 298 CG PRO A 20 -3.787 -14.190 -12.122 1.00 0.00 C +ATOM 299 CD PRO A 20 -4.670 -12.966 -11.941 1.00 0.00 C +ATOM 300 HA PRO A 20 -4.505 -14.158 -8.987 1.00 0.00 H +ATOM 301 HB2 PRO A 20 -2.501 -15.059 -10.613 1.00 0.00 H +ATOM 302 HB3 PRO A 20 -4.123 -15.723 -10.632 1.00 0.00 H +ATOM 303 HG2 PRO A 20 -2.839 -13.912 -12.584 1.00 0.00 H +ATOM 304 HG3 PRO A 20 -4.265 -14.911 -12.786 1.00 0.00 H +ATOM 305 HD2 PRO A 20 -4.202 -12.075 -12.360 1.00 0.00 H +ATOM 306 HD3 PRO A 20 -5.628 -13.091 -12.446 1.00 0.00 H +ATOM 307 N VAL A 21 -2.532 -13.372 -7.866 1.00 0.00 N +ATOM 308 CA VAL A 21 -1.443 -12.747 -7.136 1.00 0.00 C +ATOM 309 C VAL A 21 -0.171 -12.796 -7.985 1.00 0.00 C +ATOM 310 O VAL A 21 0.672 -11.904 -7.899 1.00 0.00 O +ATOM 311 CB VAL A 21 -1.276 -13.417 -5.771 1.00 0.00 C +ATOM 312 CG1 VAL A 21 0.025 -12.973 -5.098 1.00 0.00 C +ATOM 313 CG2 VAL A 21 -2.482 -13.138 -4.872 1.00 0.00 C +ATOM 314 H VAL A 21 -3.027 -14.081 -7.363 1.00 0.00 H +ATOM 315 HA VAL A 21 -1.714 -11.704 -6.969 1.00 0.00 H +ATOM 316 HB VAL A 21 -1.219 -14.494 -5.930 1.00 0.00 H +ATOM 317 HG11 VAL A 21 -0.104 -12.986 -4.015 1.00 0.00 H +ATOM 318 HG12 VAL A 21 0.829 -13.653 -5.377 1.00 0.00 H +ATOM 319 HG13 VAL A 21 0.275 -11.962 -5.421 1.00 0.00 H +ATOM 320 HG21 VAL A 21 -3.042 -14.060 -4.718 1.00 0.00 H +ATOM 321 HG22 VAL A 21 -2.137 -12.757 -3.910 1.00 0.00 H +ATOM 322 HG23 VAL A 21 -3.125 -12.397 -5.346 1.00 0.00 H +ATOM 323 N SER A 22 -0.073 -13.846 -8.787 1.00 0.00 N +ATOM 324 CA SER A 22 1.082 -14.022 -9.651 1.00 0.00 C +ATOM 325 C SER A 22 1.169 -12.867 -10.650 1.00 0.00 C +ATOM 326 O SER A 22 2.254 -12.532 -11.124 1.00 0.00 O +ATOM 327 CB SER A 22 1.016 -15.360 -10.392 1.00 0.00 C +ATOM 328 OG SER A 22 2.230 -15.649 -11.080 1.00 0.00 O +ATOM 329 H SER A 22 -0.763 -14.567 -8.851 1.00 0.00 H +ATOM 330 HA SER A 22 1.944 -14.019 -8.985 1.00 0.00 H +ATOM 331 HB2 SER A 22 0.804 -16.158 -9.680 1.00 0.00 H +ATOM 332 HB3 SER A 22 0.191 -15.340 -11.104 1.00 0.00 H +ATOM 333 HG SER A 22 2.943 -15.006 -10.802 1.00 0.00 H +ATOM 334 N ARG A 23 0.013 -12.289 -10.941 1.00 0.00 N +ATOM 335 CA ARG A 23 -0.055 -11.178 -11.874 1.00 0.00 C +ATOM 336 C ARG A 23 -0.021 -9.847 -11.120 1.00 0.00 C +ATOM 337 O ARG A 23 -0.002 -8.782 -11.734 1.00 0.00 O +ATOM 338 CB ARG A 23 -1.329 -11.245 -12.719 1.00 0.00 C +ATOM 339 CG ARG A 23 -1.005 -11.127 -14.210 1.00 0.00 C +ATOM 340 CD ARG A 23 -0.222 -12.348 -14.699 1.00 0.00 C +ATOM 341 NE ARG A 23 -0.373 -12.492 -16.164 1.00 0.00 N +ATOM 342 CZ ARG A 23 -1.507 -12.868 -16.769 1.00 0.00 C +ATOM 343 NH1 ARG A 23 -2.598 -13.141 -16.039 1.00 0.00 N +ATOM 344 NH2 ARG A 23 -1.552 -12.972 -18.105 1.00 0.00 N +ATOM 345 H ARG A 23 -0.865 -12.567 -10.551 1.00 0.00 H +ATOM 346 HA ARG A 23 0.825 -11.292 -12.508 1.00 0.00 H +ATOM 347 HB2 ARG A 23 -1.846 -12.185 -12.529 1.00 0.00 H +ATOM 348 HB3 ARG A 23 -2.006 -10.443 -12.426 1.00 0.00 H +ATOM 349 HG2 ARG A 23 -1.929 -11.031 -14.780 1.00 0.00 H +ATOM 350 HG3 ARG A 23 -0.424 -10.223 -14.389 1.00 0.00 H +ATOM 351 HD2 ARG A 23 0.831 -12.241 -14.442 1.00 0.00 H +ATOM 352 HD3 ARG A 23 -0.583 -13.246 -14.198 1.00 0.00 H +ATOM 353 HE ARG A 23 0.422 -12.296 -16.738 1.00 0.00 H +ATOM 354 HH11 ARG A 23 -2.564 -13.063 -15.043 1.00 0.00 H +ATOM 355 HH12 ARG A 23 -3.444 -13.422 -16.491 1.00 0.00 H +ATOM 356 HH21 ARG A 23 -0.738 -12.769 -18.649 1.00 0.00 H +ATOM 357 HH22 ARG A 23 -2.399 -13.253 -18.556 1.00 0.00 H +ATOM 358 N ILE A 24 -0.015 -9.953 -9.799 1.00 0.00 N +ATOM 359 CA ILE A 24 0.016 -8.771 -8.954 1.00 0.00 C +ATOM 360 C ILE A 24 1.405 -8.636 -8.325 1.00 0.00 C +ATOM 361 O ILE A 24 2.074 -9.635 -8.068 1.00 0.00 O +ATOM 362 CB ILE A 24 -1.121 -8.813 -7.931 1.00 0.00 C +ATOM 363 CG1 ILE A 24 -2.453 -9.147 -8.606 1.00 0.00 C +ATOM 364 CG2 ILE A 24 -1.192 -7.508 -7.136 1.00 0.00 C +ATOM 365 CD1 ILE A 24 -3.359 -9.945 -7.666 1.00 0.00 C +ATOM 366 H ILE A 24 -0.030 -10.823 -9.307 1.00 0.00 H +ATOM 367 HA ILE A 24 -0.158 -7.907 -9.595 1.00 0.00 H +ATOM 368 HB ILE A 24 -0.911 -9.613 -7.220 1.00 0.00 H +ATOM 369 HG12 ILE A 24 -2.954 -8.226 -8.905 1.00 0.00 H +ATOM 370 HG13 ILE A 24 -2.271 -9.720 -9.515 1.00 0.00 H +ATOM 371 HG21 ILE A 24 -1.756 -7.673 -6.218 1.00 0.00 H +ATOM 372 HG22 ILE A 24 -0.183 -7.178 -6.889 1.00 0.00 H +ATOM 373 HG23 ILE A 24 -1.688 -6.745 -7.735 1.00 0.00 H +ATOM 374 HD11 ILE A 24 -3.572 -10.919 -8.107 1.00 0.00 H +ATOM 375 HD12 ILE A 24 -2.858 -10.081 -6.708 1.00 0.00 H +ATOM 376 HD13 ILE A 24 -4.292 -9.403 -7.515 1.00 0.00 H +ATOM 377 N LYS A 25 1.796 -7.391 -8.095 1.00 0.00 N +ATOM 378 CA LYS A 25 3.092 -7.112 -7.501 1.00 0.00 C +ATOM 379 C LYS A 25 2.902 -6.717 -6.035 1.00 0.00 C +ATOM 380 O LYS A 25 3.139 -7.522 -5.136 1.00 0.00 O +ATOM 381 CB LYS A 25 3.846 -6.067 -8.326 1.00 0.00 C +ATOM 382 CG LYS A 25 5.356 -6.174 -8.099 1.00 0.00 C +ATOM 383 CD LYS A 25 5.767 -5.463 -6.807 1.00 0.00 C +ATOM 384 CE LYS A 25 6.715 -4.299 -7.100 1.00 0.00 C +ATOM 385 NZ LYS A 25 6.604 -3.263 -6.049 1.00 0.00 N +ATOM 386 H LYS A 25 1.246 -6.583 -8.307 1.00 0.00 H +ATOM 387 HA LYS A 25 3.674 -8.033 -7.538 1.00 0.00 H +ATOM 388 HB2 LYS A 25 3.624 -6.205 -9.385 1.00 0.00 H +ATOM 389 HB3 LYS A 25 3.504 -5.069 -8.057 1.00 0.00 H +ATOM 390 HG2 LYS A 25 5.646 -7.223 -8.049 1.00 0.00 H +ATOM 391 HG3 LYS A 25 5.886 -5.736 -8.944 1.00 0.00 H +ATOM 392 HD2 LYS A 25 4.879 -5.094 -6.293 1.00 0.00 H +ATOM 393 HD3 LYS A 25 6.252 -6.172 -6.137 1.00 0.00 H +ATOM 394 HE2 LYS A 25 7.741 -4.662 -7.154 1.00 0.00 H +ATOM 395 HE3 LYS A 25 6.479 -3.865 -8.072 1.00 0.00 H +ATOM 396 HZ1 LYS A 25 5.800 -2.695 -6.224 1.00 0.00 H +ATOM 397 HZ2 LYS A 25 6.513 -3.704 -5.155 1.00 0.00 H +ATOM 398 HZ3 LYS A 25 7.424 -2.691 -6.057 1.00 0.00 H +ATOM 399 N THR A 26 2.477 -5.477 -5.840 1.00 0.00 N +ATOM 400 CA THR A 26 2.253 -4.966 -4.498 1.00 0.00 C +ATOM 401 C THR A 26 0.792 -4.543 -4.326 1.00 0.00 C +ATOM 402 O THR A 26 0.037 -4.499 -5.296 1.00 0.00 O +ATOM 403 CB THR A 26 3.247 -3.829 -4.253 1.00 0.00 C +ATOM 404 OG1 THR A 26 3.313 -3.726 -2.834 1.00 0.00 O +ATOM 405 CG2 THR A 26 2.705 -2.470 -4.701 1.00 0.00 C +ATOM 406 H THR A 26 2.287 -4.829 -6.577 1.00 0.00 H +ATOM 407 HA THR A 26 2.438 -5.771 -3.788 1.00 0.00 H +ATOM 408 HB THR A 26 4.205 -4.042 -4.727 1.00 0.00 H +ATOM 409 HG1 THR A 26 3.790 -2.886 -2.574 1.00 0.00 H +ATOM 410 HG21 THR A 26 1.787 -2.615 -5.270 1.00 0.00 H +ATOM 411 HG22 THR A 26 2.497 -1.856 -3.825 1.00 0.00 H +ATOM 412 HG23 THR A 26 3.446 -1.972 -5.326 1.00 0.00 H +ATOM 413 N TYR A 27 0.439 -4.243 -3.085 1.00 0.00 N +ATOM 414 CA TYR A 27 -0.917 -3.826 -2.773 1.00 0.00 C +ATOM 415 C TYR A 27 -0.920 -2.698 -1.740 1.00 0.00 C +ATOM 416 O TYR A 27 0.027 -2.557 -0.967 1.00 0.00 O +ATOM 417 CB TYR A 27 -1.609 -5.052 -2.174 1.00 0.00 C +ATOM 418 CG TYR A 27 -1.009 -5.518 -0.847 1.00 0.00 C +ATOM 419 CD1 TYR A 27 0.266 -6.047 -0.814 1.00 0.00 C +ATOM 420 CD2 TYR A 27 -1.741 -5.410 0.318 1.00 0.00 C +ATOM 421 CE1 TYR A 27 0.831 -6.486 0.436 1.00 0.00 C +ATOM 422 CE2 TYR A 27 -1.176 -5.849 1.568 1.00 0.00 C +ATOM 423 CZ TYR A 27 0.082 -6.365 1.565 1.00 0.00 C +ATOM 424 OH TYR A 27 0.616 -6.780 2.745 1.00 0.00 O +ATOM 425 H TYR A 27 1.060 -4.282 -2.302 1.00 0.00 H +ATOM 426 HA TYR A 27 -1.379 -3.467 -3.693 1.00 0.00 H +ATOM 427 HB2 TYR A 27 -2.664 -4.824 -2.024 1.00 0.00 H +ATOM 428 HB3 TYR A 27 -1.559 -5.871 -2.891 1.00 0.00 H +ATOM 429 HD1 TYR A 27 0.844 -6.133 -1.733 1.00 0.00 H +ATOM 430 HD2 TYR A 27 -2.748 -4.992 0.292 1.00 0.00 H +ATOM 431 HE1 TYR A 27 1.836 -6.906 0.476 1.00 0.00 H +ATOM 432 HE2 TYR A 27 -1.744 -5.769 2.495 1.00 0.00 H +ATOM 433 HH TYR A 27 0.172 -6.307 3.506 1.00 0.00 H +ATOM 434 N THR A 28 -1.995 -1.923 -1.759 1.00 0.00 N +ATOM 435 CA THR A 28 -2.133 -0.812 -0.833 1.00 0.00 C +ATOM 436 C THR A 28 -3.566 -0.736 -0.301 1.00 0.00 C +ATOM 437 O THR A 28 -4.515 -0.629 -1.077 1.00 0.00 O +ATOM 438 CB THR A 28 -1.683 0.461 -1.552 1.00 0.00 C +ATOM 439 OG1 THR A 28 -0.401 0.739 -0.996 1.00 0.00 O +ATOM 440 CG2 THR A 28 -2.527 1.679 -1.169 1.00 0.00 C +ATOM 441 H THR A 28 -2.760 -2.045 -2.391 1.00 0.00 H +ATOM 442 HA THR A 28 -1.484 -0.995 0.023 1.00 0.00 H +ATOM 443 HB THR A 28 -1.676 0.316 -2.632 1.00 0.00 H +ATOM 444 HG1 THR A 28 0.290 0.157 -1.424 1.00 0.00 H +ATOM 445 HG21 THR A 28 -2.355 1.926 -0.121 1.00 0.00 H +ATOM 446 HG22 THR A 28 -2.245 2.527 -1.793 1.00 0.00 H +ATOM 447 HG23 THR A 28 -3.583 1.452 -1.320 1.00 0.00 H +ATOM 448 N ILE A 29 -3.677 -0.794 1.018 1.00 0.00 N +ATOM 449 CA ILE A 29 -4.978 -0.733 1.662 1.00 0.00 C +ATOM 450 C ILE A 29 -5.084 0.565 2.466 1.00 0.00 C +ATOM 451 O ILE A 29 -4.197 0.884 3.255 1.00 0.00 O +ATOM 452 CB ILE A 29 -5.223 -1.993 2.494 1.00 0.00 C +ATOM 453 CG1 ILE A 29 -5.138 -3.249 1.625 1.00 0.00 C +ATOM 454 CG2 ILE A 29 -6.554 -1.905 3.244 1.00 0.00 C +ATOM 455 CD1 ILE A 29 -5.469 -4.502 2.438 1.00 0.00 C +ATOM 456 H ILE A 29 -2.900 -0.881 1.641 1.00 0.00 H +ATOM 457 HA ILE A 29 -5.732 -0.715 0.875 1.00 0.00 H +ATOM 458 HB ILE A 29 -4.436 -2.066 3.244 1.00 0.00 H +ATOM 459 HG12 ILE A 29 -5.829 -3.163 0.786 1.00 0.00 H +ATOM 460 HG13 ILE A 29 -4.136 -3.338 1.205 1.00 0.00 H +ATOM 461 HG21 ILE A 29 -6.748 -0.868 3.520 1.00 0.00 H +ATOM 462 HG22 ILE A 29 -7.358 -2.266 2.603 1.00 0.00 H +ATOM 463 HG23 ILE A 29 -6.505 -2.517 4.145 1.00 0.00 H +ATOM 464 HD11 ILE A 29 -4.874 -4.510 3.352 1.00 0.00 H +ATOM 465 HD12 ILE A 29 -6.528 -4.500 2.694 1.00 0.00 H +ATOM 466 HD13 ILE A 29 -5.240 -5.390 1.848 1.00 0.00 H +ATOM 467 N THR A 30 -6.177 1.278 2.237 1.00 0.00 N +ATOM 468 CA THR A 30 -6.411 2.533 2.929 1.00 0.00 C +ATOM 469 C THR A 30 -7.413 2.336 4.068 1.00 0.00 C +ATOM 470 O THR A 30 -8.103 1.319 4.124 1.00 0.00 O +ATOM 471 CB THR A 30 -6.861 3.567 1.895 1.00 0.00 C +ATOM 472 OG1 THR A 30 -8.004 2.973 1.286 1.00 0.00 O +ATOM 473 CG2 THR A 30 -5.863 3.719 0.746 1.00 0.00 C +ATOM 474 H THR A 30 -6.894 1.011 1.593 1.00 0.00 H +ATOM 475 HA THR A 30 -5.473 2.856 3.382 1.00 0.00 H +ATOM 476 HB THR A 30 -7.061 4.529 2.368 1.00 0.00 H +ATOM 477 HG1 THR A 30 -7.721 2.383 0.530 1.00 0.00 H +ATOM 478 HG21 THR A 30 -5.740 2.760 0.242 1.00 0.00 H +ATOM 479 HG22 THR A 30 -6.236 4.457 0.036 1.00 0.00 H +ATOM 480 HG23 THR A 30 -4.902 4.048 1.140 1.00 0.00 H +ATOM 481 N GLU A 31 -7.463 3.325 4.948 1.00 0.00 N +ATOM 482 CA GLU A 31 -8.370 3.273 6.082 1.00 0.00 C +ATOM 483 C GLU A 31 -9.367 4.432 6.019 1.00 0.00 C +ATOM 484 O GLU A 31 -10.425 4.379 6.643 1.00 0.00 O +ATOM 485 CB GLU A 31 -7.597 3.286 7.403 1.00 0.00 C +ATOM 486 CG GLU A 31 -7.768 1.962 8.151 1.00 0.00 C +ATOM 487 CD GLU A 31 -6.603 1.013 7.860 1.00 0.00 C +ATOM 488 OE1 GLU A 31 -5.464 1.521 7.785 1.00 0.00 O +ATOM 489 OE2 GLU A 31 -6.880 -0.197 7.719 1.00 0.00 O +ATOM 490 H GLU A 31 -6.899 4.149 4.896 1.00 0.00 H +ATOM 491 HA GLU A 31 -8.898 2.324 5.987 1.00 0.00 H +ATOM 492 HB2 GLU A 31 -6.540 3.464 7.208 1.00 0.00 H +ATOM 493 HB3 GLU A 31 -7.949 4.108 8.026 1.00 0.00 H +ATOM 494 HG2 GLU A 31 -7.828 2.151 9.223 1.00 0.00 H +ATOM 495 HG3 GLU A 31 -8.707 1.493 7.857 1.00 0.00 H +ATOM 496 N GLY A 32 -8.993 5.451 5.259 1.00 0.00 N +ATOM 497 CA GLY A 32 -9.841 6.620 5.106 1.00 0.00 C +ATOM 498 C GLY A 32 -11.117 6.275 4.335 1.00 0.00 C +ATOM 499 O GLY A 32 -11.388 5.106 4.068 1.00 0.00 O +ATOM 500 H GLY A 32 -8.130 5.485 4.755 1.00 0.00 H +ATOM 501 HA2 GLY A 32 -10.100 7.017 6.087 1.00 0.00 H +ATOM 502 HA3 GLY A 32 -9.295 7.403 4.580 1.00 0.00 H +ATOM 503 N SER A 33 -11.867 7.315 4.000 1.00 0.00 N +ATOM 504 CA SER A 33 -13.108 7.136 3.266 1.00 0.00 C +ATOM 505 C SER A 33 -12.916 6.098 2.158 1.00 0.00 C +ATOM 506 O SER A 33 -13.867 5.425 1.762 1.00 0.00 O +ATOM 507 CB SER A 33 -13.593 8.461 2.673 1.00 0.00 C +ATOM 508 OG SER A 33 -14.533 9.113 3.522 1.00 0.00 O +ATOM 509 H SER A 33 -11.639 8.263 4.221 1.00 0.00 H +ATOM 510 HA SER A 33 -13.830 6.782 4.001 1.00 0.00 H +ATOM 511 HB2 SER A 33 -12.739 9.117 2.506 1.00 0.00 H +ATOM 512 HB3 SER A 33 -14.049 8.278 1.700 1.00 0.00 H +ATOM 513 HG SER A 33 -14.056 9.711 4.166 1.00 0.00 H +ATOM 514 N LEU A 34 -11.681 6.000 1.690 1.00 0.00 N +ATOM 515 CA LEU A 34 -11.352 5.055 0.636 1.00 0.00 C +ATOM 516 C LEU A 34 -11.585 3.631 1.144 1.00 0.00 C +ATOM 517 O LEU A 34 -12.374 2.884 0.568 1.00 0.00 O +ATOM 518 CB LEU A 34 -9.933 5.300 0.121 1.00 0.00 C +ATOM 519 CG LEU A 34 -9.811 5.669 -1.360 1.00 0.00 C +ATOM 520 CD1 LEU A 34 -8.365 6.011 -1.722 1.00 0.00 C +ATOM 521 CD2 LEU A 34 -10.378 4.560 -2.249 1.00 0.00 C +ATOM 522 H LEU A 34 -10.913 6.551 2.018 1.00 0.00 H +ATOM 523 HA LEU A 34 -12.033 5.242 -0.194 1.00 0.00 H +ATOM 524 HB2 LEU A 34 -9.485 6.100 0.711 1.00 0.00 H +ATOM 525 HB3 LEU A 34 -9.342 4.402 0.301 1.00 0.00 H +ATOM 526 HG LEU A 34 -10.409 6.562 -1.539 1.00 0.00 H +ATOM 527 HD11 LEU A 34 -8.329 7.003 -2.174 1.00 0.00 H +ATOM 528 HD12 LEU A 34 -7.752 6.000 -0.821 1.00 0.00 H +ATOM 529 HD13 LEU A 34 -7.984 5.275 -2.430 1.00 0.00 H +ATOM 530 HD21 LEU A 34 -11.055 3.936 -1.665 1.00 0.00 H +ATOM 531 HD22 LEU A 34 -10.922 5.005 -3.082 1.00 0.00 H +ATOM 532 HD23 LEU A 34 -9.561 3.949 -2.633 1.00 0.00 H +ATOM 533 N ARG A 35 -10.883 3.297 2.217 1.00 0.00 N +ATOM 534 CA ARG A 35 -11.003 1.976 2.809 1.00 0.00 C +ATOM 535 C ARG A 35 -11.164 0.917 1.716 1.00 0.00 C +ATOM 536 O ARG A 35 -12.090 0.109 1.761 1.00 0.00 O +ATOM 537 CB ARG A 35 -12.199 1.904 3.759 1.00 0.00 C +ATOM 538 CG ARG A 35 -12.028 0.770 4.772 1.00 0.00 C +ATOM 539 CD ARG A 35 -12.753 1.091 6.081 1.00 0.00 C +ATOM 540 NE ARG A 35 -14.013 0.319 6.164 1.00 0.00 N +ATOM 541 CZ ARG A 35 -14.070 -1.010 6.330 1.00 0.00 C +ATOM 542 NH1 ARG A 35 -12.940 -1.722 6.431 1.00 0.00 N +ATOM 543 NH2 ARG A 35 -15.259 -1.626 6.395 1.00 0.00 N +ATOM 544 H ARG A 35 -10.243 3.911 2.680 1.00 0.00 H +ATOM 545 HA ARG A 35 -10.073 1.832 3.360 1.00 0.00 H +ATOM 546 HB2 ARG A 35 -12.308 2.853 4.285 1.00 0.00 H +ATOM 547 HB3 ARG A 35 -13.114 1.751 3.187 1.00 0.00 H +ATOM 548 HG2 ARG A 35 -12.419 -0.157 4.354 1.00 0.00 H +ATOM 549 HG3 ARG A 35 -10.968 0.610 4.969 1.00 0.00 H +ATOM 550 HD2 ARG A 35 -12.112 0.849 6.929 1.00 0.00 H +ATOM 551 HD3 ARG A 35 -12.966 2.158 6.137 1.00 0.00 H +ATOM 552 HE ARG A 35 -14.875 0.820 6.092 1.00 0.00 H +ATOM 553 HH11 ARG A 35 -12.053 -1.262 6.383 1.00 0.00 H +ATOM 554 HH12 ARG A 35 -12.983 -2.713 6.555 1.00 0.00 H +ATOM 555 HH21 ARG A 35 -16.102 -1.094 6.319 1.00 0.00 H +ATOM 556 HH22 ARG A 35 -15.302 -2.617 6.518 1.00 0.00 H +ATOM 557 N ALA A 36 -10.249 0.957 0.758 1.00 0.00 N +ATOM 558 CA ALA A 36 -10.279 0.012 -0.345 1.00 0.00 C +ATOM 559 C ALA A 36 -8.894 -0.617 -0.510 1.00 0.00 C +ATOM 560 O ALA A 36 -7.891 -0.033 -0.103 1.00 0.00 O +ATOM 561 CB ALA A 36 -10.752 0.723 -1.614 1.00 0.00 C +ATOM 562 H ALA A 36 -9.500 1.618 0.728 1.00 0.00 H +ATOM 563 HA ALA A 36 -10.996 -0.770 -0.093 1.00 0.00 H +ATOM 564 HB1 ALA A 36 -10.317 1.721 -1.655 1.00 0.00 H +ATOM 565 HB2 ALA A 36 -10.435 0.153 -2.489 1.00 0.00 H +ATOM 566 HB3 ALA A 36 -11.839 0.799 -1.605 1.00 0.00 H +ATOM 567 N VAL A 37 -8.883 -1.799 -1.107 1.00 0.00 N +ATOM 568 CA VAL A 37 -7.637 -2.513 -1.331 1.00 0.00 C +ATOM 569 C VAL A 37 -7.148 -2.242 -2.755 1.00 0.00 C +ATOM 570 O VAL A 37 -7.836 -2.561 -3.723 1.00 0.00 O +ATOM 571 CB VAL A 37 -7.828 -4.003 -1.038 1.00 0.00 C +ATOM 572 CG1 VAL A 37 -8.697 -4.210 0.204 1.00 0.00 C +ATOM 573 CG2 VAL A 37 -8.419 -4.729 -2.248 1.00 0.00 C +ATOM 574 H VAL A 37 -9.703 -2.268 -1.435 1.00 0.00 H +ATOM 575 HA VAL A 37 -6.903 -2.122 -0.626 1.00 0.00 H +ATOM 576 HB VAL A 37 -6.847 -4.433 -0.836 1.00 0.00 H +ATOM 577 HG11 VAL A 37 -8.137 -3.918 1.093 1.00 0.00 H +ATOM 578 HG12 VAL A 37 -9.597 -3.600 0.124 1.00 0.00 H +ATOM 579 HG13 VAL A 37 -8.977 -5.261 0.281 1.00 0.00 H +ATOM 580 HG21 VAL A 37 -7.616 -5.018 -2.926 1.00 0.00 H +ATOM 581 HG22 VAL A 37 -8.951 -5.619 -1.914 1.00 0.00 H +ATOM 582 HG23 VAL A 37 -9.111 -4.065 -2.767 1.00 0.00 H +ATOM 583 N ILE A 38 -5.962 -1.656 -2.837 1.00 0.00 N +ATOM 584 CA ILE A 38 -5.372 -1.338 -4.126 1.00 0.00 C +ATOM 585 C ILE A 38 -4.340 -2.408 -4.487 1.00 0.00 C +ATOM 586 O ILE A 38 -3.412 -2.664 -3.721 1.00 0.00 O +ATOM 587 CB ILE A 38 -4.808 0.084 -4.121 1.00 0.00 C +ATOM 588 CG1 ILE A 38 -5.911 1.110 -3.852 1.00 0.00 C +ATOM 589 CG2 ILE A 38 -4.055 0.379 -5.420 1.00 0.00 C +ATOM 590 CD1 ILE A 38 -6.849 1.235 -5.053 1.00 0.00 C +ATOM 591 H ILE A 38 -5.409 -1.400 -2.044 1.00 0.00 H +ATOM 592 HA ILE A 38 -6.172 -1.366 -4.867 1.00 0.00 H +ATOM 593 HB ILE A 38 -4.088 0.163 -3.307 1.00 0.00 H +ATOM 594 HG12 ILE A 38 -6.480 0.814 -2.970 1.00 0.00 H +ATOM 595 HG13 ILE A 38 -5.464 2.080 -3.632 1.00 0.00 H +ATOM 596 HG21 ILE A 38 -4.472 -0.224 -6.227 1.00 0.00 H +ATOM 597 HG22 ILE A 38 -4.157 1.436 -5.667 1.00 0.00 H +ATOM 598 HG23 ILE A 38 -3.001 0.136 -5.292 1.00 0.00 H +ATOM 599 HD11 ILE A 38 -6.737 0.361 -5.695 1.00 0.00 H +ATOM 600 HD12 ILE A 38 -7.880 1.301 -4.704 1.00 0.00 H +ATOM 601 HD13 ILE A 38 -6.599 2.134 -5.617 1.00 0.00 H +ATOM 602 N PHE A 39 -4.536 -3.004 -5.655 1.00 0.00 N +ATOM 603 CA PHE A 39 -3.633 -4.040 -6.127 1.00 0.00 C +ATOM 604 C PHE A 39 -2.835 -3.561 -7.341 1.00 0.00 C +ATOM 605 O PHE A 39 -3.410 -3.251 -8.383 1.00 0.00 O +ATOM 606 CB PHE A 39 -4.498 -5.233 -6.539 1.00 0.00 C +ATOM 607 CG PHE A 39 -5.153 -5.962 -5.364 1.00 0.00 C +ATOM 608 CD1 PHE A 39 -4.421 -6.266 -4.259 1.00 0.00 C +ATOM 609 CD2 PHE A 39 -6.468 -6.305 -5.424 1.00 0.00 C +ATOM 610 CE1 PHE A 39 -5.030 -6.943 -3.168 1.00 0.00 C +ATOM 611 CE2 PHE A 39 -7.076 -6.981 -4.334 1.00 0.00 C +ATOM 612 CZ PHE A 39 -6.344 -7.286 -3.229 1.00 0.00 C +ATOM 613 H PHE A 39 -5.293 -2.790 -6.272 1.00 0.00 H +ATOM 614 HA PHE A 39 -2.948 -4.268 -5.310 1.00 0.00 H +ATOM 615 HB2 PHE A 39 -5.277 -4.887 -7.218 1.00 0.00 H +ATOM 616 HB3 PHE A 39 -3.882 -5.941 -7.094 1.00 0.00 H +ATOM 617 HD1 PHE A 39 -3.368 -5.991 -4.210 1.00 0.00 H +ATOM 618 HD2 PHE A 39 -7.055 -6.061 -6.310 1.00 0.00 H +ATOM 619 HE1 PHE A 39 -4.443 -7.187 -2.283 1.00 0.00 H +ATOM 620 HE2 PHE A 39 -8.130 -7.256 -4.382 1.00 0.00 H +ATOM 621 HZ PHE A 39 -6.811 -7.805 -2.392 1.00 0.00 H +ATOM 622 N ILE A 40 -1.522 -3.515 -7.165 1.00 0.00 N +ATOM 623 CA ILE A 40 -0.639 -3.078 -8.233 1.00 0.00 C +ATOM 624 C ILE A 40 -0.010 -4.303 -8.901 1.00 0.00 C +ATOM 625 O ILE A 40 0.476 -5.204 -8.220 1.00 0.00 O +ATOM 626 CB ILE A 40 0.384 -2.071 -7.705 1.00 0.00 C +ATOM 627 CG1 ILE A 40 -0.270 -1.078 -6.743 1.00 0.00 C +ATOM 628 CG2 ILE A 40 1.104 -1.366 -8.856 1.00 0.00 C +ATOM 629 CD1 ILE A 40 0.750 -0.061 -6.226 1.00 0.00 C +ATOM 630 H ILE A 40 -1.063 -3.769 -6.314 1.00 0.00 H +ATOM 631 HA ILE A 40 -1.251 -2.559 -8.971 1.00 0.00 H +ATOM 632 HB ILE A 40 1.139 -2.617 -7.139 1.00 0.00 H +ATOM 633 HG12 ILE A 40 -1.083 -0.557 -7.249 1.00 0.00 H +ATOM 634 HG13 ILE A 40 -0.711 -1.615 -5.903 1.00 0.00 H +ATOM 635 HG21 ILE A 40 1.662 -0.513 -8.467 1.00 0.00 H +ATOM 636 HG22 ILE A 40 1.792 -2.062 -9.336 1.00 0.00 H +ATOM 637 HG23 ILE A 40 0.371 -1.019 -9.584 1.00 0.00 H +ATOM 638 HD11 ILE A 40 1.758 -0.437 -6.403 1.00 0.00 H +ATOM 639 HD12 ILE A 40 0.617 0.885 -6.751 1.00 0.00 H +ATOM 640 HD13 ILE A 40 0.601 0.092 -5.157 1.00 0.00 H +ATOM 641 N THR A 41 -0.038 -4.295 -10.225 1.00 0.00 N +ATOM 642 CA THR A 41 0.524 -5.393 -10.992 1.00 0.00 C +ATOM 643 C THR A 41 1.923 -5.032 -11.495 1.00 0.00 C +ATOM 644 O THR A 41 2.316 -3.867 -11.466 1.00 0.00 O +ATOM 645 CB THR A 41 -0.456 -5.735 -12.117 1.00 0.00 C +ATOM 646 OG1 THR A 41 -0.921 -4.466 -12.569 1.00 0.00 O +ATOM 647 CG2 THR A 41 -1.717 -6.433 -11.603 1.00 0.00 C +ATOM 648 H THR A 41 -0.435 -3.557 -10.772 1.00 0.00 H +ATOM 649 HA THR A 41 0.633 -6.253 -10.332 1.00 0.00 H +ATOM 650 HB THR A 41 0.031 -6.329 -12.890 1.00 0.00 H +ATOM 651 HG1 THR A 41 -0.152 -3.833 -12.662 1.00 0.00 H +ATOM 652 HG21 THR A 41 -2.300 -5.734 -11.004 1.00 0.00 H +ATOM 653 HG22 THR A 41 -2.314 -6.773 -12.449 1.00 0.00 H +ATOM 654 HG23 THR A 41 -1.434 -7.289 -10.991 1.00 0.00 H +ATOM 655 N LYS A 42 2.638 -6.054 -11.943 1.00 0.00 N +ATOM 656 CA LYS A 42 3.986 -5.859 -12.451 1.00 0.00 C +ATOM 657 C LYS A 42 3.926 -5.034 -13.738 1.00 0.00 C +ATOM 658 O LYS A 42 4.956 -4.584 -14.239 1.00 0.00 O +ATOM 659 CB LYS A 42 4.697 -7.203 -12.614 1.00 0.00 C +ATOM 660 CG LYS A 42 3.891 -8.144 -13.513 1.00 0.00 C +ATOM 661 CD LYS A 42 3.873 -9.564 -12.944 1.00 0.00 C +ATOM 662 CE LYS A 42 3.299 -9.580 -11.526 1.00 0.00 C +ATOM 663 NZ LYS A 42 4.217 -10.281 -10.602 1.00 0.00 N +ATOM 664 H LYS A 42 2.312 -6.999 -11.963 1.00 0.00 H +ATOM 665 HA LYS A 42 4.538 -5.291 -11.702 1.00 0.00 H +ATOM 666 HB2 LYS A 42 5.687 -7.046 -13.041 1.00 0.00 H +ATOM 667 HB3 LYS A 42 4.841 -7.663 -11.636 1.00 0.00 H +ATOM 668 HG2 LYS A 42 2.871 -7.774 -13.610 1.00 0.00 H +ATOM 669 HG3 LYS A 42 4.323 -8.155 -14.513 1.00 0.00 H +ATOM 670 HD2 LYS A 42 3.278 -10.211 -13.588 1.00 0.00 H +ATOM 671 HD3 LYS A 42 4.885 -9.969 -12.934 1.00 0.00 H +ATOM 672 HE2 LYS A 42 3.137 -8.558 -11.182 1.00 0.00 H +ATOM 673 HE3 LYS A 42 2.327 -10.073 -11.526 1.00 0.00 H +ATOM 674 HZ1 LYS A 42 4.349 -11.222 -10.913 1.00 0.00 H +ATOM 675 HZ2 LYS A 42 5.099 -9.809 -10.586 1.00 0.00 H +ATOM 676 HZ3 LYS A 42 3.825 -10.286 -9.682 1.00 0.00 H +ATOM 677 N ARG A 43 2.711 -4.861 -14.237 1.00 0.00 N +ATOM 678 CA ARG A 43 2.504 -4.098 -15.456 1.00 0.00 C +ATOM 679 C ARG A 43 2.343 -2.612 -15.132 1.00 0.00 C +ATOM 680 O ARG A 43 2.477 -1.763 -16.012 1.00 0.00 O +ATOM 681 CB ARG A 43 1.264 -4.587 -16.208 1.00 0.00 C +ATOM 682 CG ARG A 43 1.608 -4.958 -17.651 1.00 0.00 C +ATOM 683 CD ARG A 43 0.736 -4.182 -18.640 1.00 0.00 C +ATOM 684 NE ARG A 43 1.103 -2.748 -18.621 1.00 0.00 N +ATOM 685 CZ ARG A 43 0.656 -1.847 -19.506 1.00 0.00 C +ATOM 686 NH1 ARG A 43 -0.176 -2.225 -20.486 1.00 0.00 N +ATOM 687 NH2 ARG A 43 1.042 -0.567 -19.411 1.00 0.00 N +ATOM 688 H ARG A 43 1.879 -5.230 -13.823 1.00 0.00 H +ATOM 689 HA ARG A 43 3.400 -4.275 -16.051 1.00 0.00 H +ATOM 690 HB2 ARG A 43 0.842 -5.452 -15.696 1.00 0.00 H +ATOM 691 HB3 ARG A 43 0.500 -3.809 -16.201 1.00 0.00 H +ATOM 692 HG2 ARG A 43 2.660 -4.746 -17.844 1.00 0.00 H +ATOM 693 HG3 ARG A 43 1.467 -6.029 -17.799 1.00 0.00 H +ATOM 694 HD2 ARG A 43 0.864 -4.585 -19.645 1.00 0.00 H +ATOM 695 HD3 ARG A 43 -0.316 -4.300 -18.381 1.00 0.00 H +ATOM 696 HE ARG A 43 1.723 -2.432 -17.903 1.00 0.00 H +ATOM 697 HH11 ARG A 43 -0.464 -3.180 -20.556 1.00 0.00 H +ATOM 698 HH12 ARG A 43 -0.509 -1.552 -21.146 1.00 0.00 H +ATOM 699 HH21 ARG A 43 1.663 -0.285 -18.680 1.00 0.00 H +ATOM 700 HH22 ARG A 43 0.709 0.106 -20.072 1.00 0.00 H +ATOM 701 N GLY A 44 2.058 -2.343 -13.866 1.00 0.00 N +ATOM 702 CA GLY A 44 1.878 -0.973 -13.415 1.00 0.00 C +ATOM 703 C GLY A 44 0.393 -0.633 -13.277 1.00 0.00 C +ATOM 704 O GLY A 44 0.041 0.465 -12.848 1.00 0.00 O +ATOM 705 H GLY A 44 1.952 -3.039 -13.157 1.00 0.00 H +ATOM 706 HA2 GLY A 44 2.377 -0.834 -12.456 1.00 0.00 H +ATOM 707 HA3 GLY A 44 2.347 -0.289 -14.122 1.00 0.00 H +ATOM 708 N LEU A 45 -0.439 -1.595 -13.648 1.00 0.00 N +ATOM 709 CA LEU A 45 -1.878 -1.411 -13.571 1.00 0.00 C +ATOM 710 C LEU A 45 -2.340 -1.634 -12.129 1.00 0.00 C +ATOM 711 O LEU A 45 -2.197 -2.730 -11.590 1.00 0.00 O +ATOM 712 CB LEU A 45 -2.588 -2.306 -14.589 1.00 0.00 C +ATOM 713 CG LEU A 45 -3.342 -1.583 -15.707 1.00 0.00 C +ATOM 714 CD1 LEU A 45 -3.304 -2.391 -17.005 1.00 0.00 C +ATOM 715 CD2 LEU A 45 -4.773 -1.251 -15.279 1.00 0.00 C +ATOM 716 H LEU A 45 -0.145 -2.485 -13.996 1.00 0.00 H +ATOM 717 HA LEU A 45 -2.091 -0.378 -13.846 1.00 0.00 H +ATOM 718 HB2 LEU A 45 -1.848 -2.964 -15.043 1.00 0.00 H +ATOM 719 HB3 LEU A 45 -3.294 -2.942 -14.054 1.00 0.00 H +ATOM 720 HG LEU A 45 -2.837 -0.637 -15.903 1.00 0.00 H +ATOM 721 HD11 LEU A 45 -2.333 -2.265 -17.484 1.00 0.00 H +ATOM 722 HD12 LEU A 45 -3.464 -3.446 -16.781 1.00 0.00 H +ATOM 723 HD13 LEU A 45 -4.089 -2.039 -17.675 1.00 0.00 H +ATOM 724 HD21 LEU A 45 -4.783 -0.297 -14.753 1.00 0.00 H +ATOM 725 HD22 LEU A 45 -5.410 -1.187 -16.161 1.00 0.00 H +ATOM 726 HD23 LEU A 45 -5.145 -2.035 -14.618 1.00 0.00 H +ATOM 727 N LYS A 46 -2.885 -0.576 -11.546 1.00 0.00 N +ATOM 728 CA LYS A 46 -3.368 -0.643 -10.177 1.00 0.00 C +ATOM 729 C LYS A 46 -4.898 -0.642 -10.181 1.00 0.00 C +ATOM 730 O LYS A 46 -5.521 0.137 -10.900 1.00 0.00 O +ATOM 731 CB LYS A 46 -2.755 0.480 -9.337 1.00 0.00 C +ATOM 732 CG LYS A 46 -2.976 1.842 -9.998 1.00 0.00 C +ATOM 733 CD LYS A 46 -2.461 2.973 -9.106 1.00 0.00 C +ATOM 734 CE LYS A 46 -0.986 2.767 -8.756 1.00 0.00 C +ATOM 735 NZ LYS A 46 -0.219 4.012 -8.984 1.00 0.00 N +ATOM 736 H LYS A 46 -2.998 0.312 -11.991 1.00 0.00 H +ATOM 737 HA LYS A 46 -3.024 -1.587 -9.755 1.00 0.00 H +ATOM 738 HB2 LYS A 46 -3.199 0.478 -8.342 1.00 0.00 H +ATOM 739 HB3 LYS A 46 -1.687 0.302 -9.211 1.00 0.00 H +ATOM 740 HG2 LYS A 46 -2.465 1.871 -10.960 1.00 0.00 H +ATOM 741 HG3 LYS A 46 -4.038 1.986 -10.197 1.00 0.00 H +ATOM 742 HD2 LYS A 46 -2.587 3.929 -9.616 1.00 0.00 H +ATOM 743 HD3 LYS A 46 -3.053 3.019 -8.192 1.00 0.00 H +ATOM 744 HE2 LYS A 46 -0.893 2.461 -7.713 1.00 0.00 H +ATOM 745 HE3 LYS A 46 -0.571 1.961 -9.362 1.00 0.00 H +ATOM 746 HZ1 LYS A 46 -0.182 4.205 -9.964 1.00 0.00 H +ATOM 747 HZ2 LYS A 46 -0.668 4.771 -8.512 1.00 0.00 H +ATOM 748 HZ3 LYS A 46 0.709 3.901 -8.630 1.00 0.00 H +ATOM 749 N VAL A 47 -5.461 -1.526 -9.369 1.00 0.00 N +ATOM 750 CA VAL A 47 -6.906 -1.637 -9.270 1.00 0.00 C +ATOM 751 C VAL A 47 -7.312 -1.653 -7.794 1.00 0.00 C +ATOM 752 O VAL A 47 -6.509 -2.002 -6.930 1.00 0.00 O +ATOM 753 CB VAL A 47 -7.390 -2.870 -10.036 1.00 0.00 C +ATOM 754 CG1 VAL A 47 -7.467 -4.091 -9.118 1.00 0.00 C +ATOM 755 CG2 VAL A 47 -8.738 -2.603 -10.708 1.00 0.00 C +ATOM 756 H VAL A 47 -4.947 -2.156 -8.787 1.00 0.00 H +ATOM 757 HA VAL A 47 -7.337 -0.755 -9.742 1.00 0.00 H +ATOM 758 HB VAL A 47 -6.662 -3.085 -10.819 1.00 0.00 H +ATOM 759 HG11 VAL A 47 -7.796 -4.957 -9.692 1.00 0.00 H +ATOM 760 HG12 VAL A 47 -6.483 -4.289 -8.693 1.00 0.00 H +ATOM 761 HG13 VAL A 47 -8.177 -3.897 -8.314 1.00 0.00 H +ATOM 762 HG21 VAL A 47 -9.207 -3.551 -10.970 1.00 0.00 H +ATOM 763 HG22 VAL A 47 -9.384 -2.055 -10.022 1.00 0.00 H +ATOM 764 HG23 VAL A 47 -8.583 -2.012 -11.611 1.00 0.00 H +ATOM 765 N CYS A 48 -8.557 -1.272 -7.552 1.00 0.00 N +ATOM 766 CA CYS A 48 -9.079 -1.238 -6.196 1.00 0.00 C +ATOM 767 C CYS A 48 -10.077 -2.387 -6.037 1.00 0.00 C +ATOM 768 O CYS A 48 -10.659 -2.848 -7.017 1.00 0.00 O +ATOM 769 CB CYS A 48 -9.710 0.116 -5.867 1.00 0.00 C +ATOM 770 SG CYS A 48 -11.415 0.341 -6.493 1.00 0.00 S +ATOM 771 H CYS A 48 -9.204 -0.990 -8.261 1.00 0.00 H +ATOM 772 HA CYS A 48 -8.227 -1.370 -5.529 1.00 0.00 H +ATOM 773 HB2 CYS A 48 -9.716 0.245 -4.785 1.00 0.00 H +ATOM 774 HB3 CYS A 48 -9.080 0.905 -6.278 1.00 0.00 H +ATOM 775 N ALA A 49 -10.243 -2.815 -4.794 1.00 0.00 N +ATOM 776 CA ALA A 49 -11.160 -3.902 -4.494 1.00 0.00 C +ATOM 777 C ALA A 49 -11.679 -3.744 -3.063 1.00 0.00 C +ATOM 778 O ALA A 49 -11.021 -3.130 -2.225 1.00 0.00 O +ATOM 779 CB ALA A 49 -10.455 -5.241 -4.715 1.00 0.00 C +ATOM 780 H ALA A 49 -9.765 -2.435 -4.003 1.00 0.00 H +ATOM 781 HA ALA A 49 -11.999 -3.828 -5.186 1.00 0.00 H +ATOM 782 HB1 ALA A 49 -10.653 -5.593 -5.727 1.00 0.00 H +ATOM 783 HB2 ALA A 49 -9.382 -5.114 -4.577 1.00 0.00 H +ATOM 784 HB3 ALA A 49 -10.829 -5.971 -3.997 1.00 0.00 H +ATOM 785 N ASP A 50 -12.854 -4.310 -2.828 1.00 0.00 N +ATOM 786 CA ASP A 50 -13.468 -4.241 -1.513 1.00 0.00 C +ATOM 787 C ASP A 50 -12.839 -5.299 -0.604 1.00 0.00 C +ATOM 788 O ASP A 50 -12.735 -6.465 -0.983 1.00 0.00 O +ATOM 789 CB ASP A 50 -14.971 -4.518 -1.592 1.00 0.00 C +ATOM 790 CG ASP A 50 -15.854 -3.272 -1.693 1.00 0.00 C +ATOM 791 OD1 ASP A 50 -15.353 -2.190 -1.318 1.00 0.00 O +ATOM 792 OD2 ASP A 50 -17.008 -3.431 -2.144 1.00 0.00 O +ATOM 793 H ASP A 50 -13.382 -4.808 -3.516 1.00 0.00 H +ATOM 794 HA ASP A 50 -13.281 -3.226 -1.163 1.00 0.00 H +ATOM 795 HB2 ASP A 50 -15.163 -5.153 -2.457 1.00 0.00 H +ATOM 796 HB3 ASP A 50 -15.267 -5.084 -0.709 1.00 0.00 H +ATOM 797 N PRO A 51 -12.425 -4.843 0.608 1.00 0.00 N +ATOM 798 CA PRO A 51 -11.809 -5.737 1.574 1.00 0.00 C +ATOM 799 C PRO A 51 -12.856 -6.638 2.231 1.00 0.00 C +ATOM 800 O PRO A 51 -12.532 -7.426 3.119 1.00 0.00 O +ATOM 801 CB PRO A 51 -11.106 -4.823 2.564 1.00 0.00 C +ATOM 802 CG PRO A 51 -11.737 -3.451 2.386 1.00 0.00 C +ATOM 803 CD PRO A 51 -12.532 -3.469 1.090 1.00 0.00 C +ATOM 804 HA PRO A 51 -11.167 -6.352 1.117 1.00 0.00 H +ATOM 805 HB2 PRO A 51 -11.234 -5.181 3.585 1.00 0.00 H +ATOM 806 HB3 PRO A 51 -10.034 -4.787 2.370 1.00 0.00 H +ATOM 807 HG2 PRO A 51 -12.387 -3.217 3.229 1.00 0.00 H +ATOM 808 HG3 PRO A 51 -10.969 -2.679 2.352 1.00 0.00 H +ATOM 809 HD2 PRO A 51 -13.572 -3.188 1.259 1.00 0.00 H +ATOM 810 HD3 PRO A 51 -12.126 -2.762 0.366 1.00 0.00 H +ATOM 811 N GLN A 52 -14.090 -6.492 1.771 1.00 0.00 N +ATOM 812 CA GLN A 52 -15.186 -7.283 2.304 1.00 0.00 C +ATOM 813 C GLN A 52 -15.199 -8.672 1.661 1.00 0.00 C +ATOM 814 O GLN A 52 -15.941 -9.553 2.094 1.00 0.00 O +ATOM 815 CB GLN A 52 -16.525 -6.572 2.100 1.00 0.00 C +ATOM 816 CG GLN A 52 -17.685 -7.430 2.609 1.00 0.00 C +ATOM 817 CD GLN A 52 -18.482 -8.022 1.444 1.00 0.00 C +ATOM 818 OE1 GLN A 52 -18.152 -9.061 0.897 1.00 0.00 O +ATOM 819 NE2 GLN A 52 -19.546 -7.304 1.097 1.00 0.00 N +ATOM 820 H GLN A 52 -14.345 -5.849 1.049 1.00 0.00 H +ATOM 821 HA GLN A 52 -14.987 -7.371 3.372 1.00 0.00 H +ATOM 822 HB2 GLN A 52 -16.517 -5.617 2.625 1.00 0.00 H +ATOM 823 HB3 GLN A 52 -16.667 -6.352 1.042 1.00 0.00 H +ATOM 824 HG2 GLN A 52 -17.299 -8.234 3.235 1.00 0.00 H +ATOM 825 HG3 GLN A 52 -18.342 -6.826 3.234 1.00 0.00 H +ATOM 826 HE21 GLN A 52 -19.761 -6.459 1.587 1.00 0.00 H +ATOM 827 HE22 GLN A 52 -20.131 -7.608 0.345 1.00 0.00 H +ATOM 828 N ALA A 53 -14.371 -8.824 0.639 1.00 0.00 N +ATOM 829 CA ALA A 53 -14.278 -10.090 -0.067 1.00 0.00 C +ATOM 830 C ALA A 53 -13.202 -10.958 0.589 1.00 0.00 C +ATOM 831 O ALA A 53 -12.086 -10.497 0.824 1.00 0.00 O +ATOM 832 CB ALA A 53 -13.993 -9.830 -1.548 1.00 0.00 C +ATOM 833 H ALA A 53 -13.771 -8.102 0.293 1.00 0.00 H +ATOM 834 HA ALA A 53 -15.242 -10.591 0.022 1.00 0.00 H +ATOM 835 HB1 ALA A 53 -14.825 -9.277 -1.986 1.00 0.00 H +ATOM 836 HB2 ALA A 53 -13.078 -9.246 -1.645 1.00 0.00 H +ATOM 837 HB3 ALA A 53 -13.875 -10.780 -2.068 1.00 0.00 H +ATOM 838 N THR A 54 -13.576 -12.198 0.867 1.00 0.00 N +ATOM 839 CA THR A 54 -12.657 -13.134 1.492 1.00 0.00 C +ATOM 840 C THR A 54 -11.541 -13.518 0.518 1.00 0.00 C +ATOM 841 O THR A 54 -10.388 -13.668 0.917 1.00 0.00 O +ATOM 842 CB THR A 54 -13.468 -14.332 1.989 1.00 0.00 C +ATOM 843 OG1 THR A 54 -14.046 -13.878 3.210 1.00 0.00 O +ATOM 844 CG2 THR A 54 -12.581 -15.506 2.411 1.00 0.00 C +ATOM 845 H THR A 54 -14.486 -12.565 0.673 1.00 0.00 H +ATOM 846 HA THR A 54 -12.184 -12.638 2.340 1.00 0.00 H +ATOM 847 HB THR A 54 -14.198 -14.645 1.243 1.00 0.00 H +ATOM 848 HG1 THR A 54 -15.002 -14.167 3.264 1.00 0.00 H +ATOM 849 HG21 THR A 54 -11.834 -15.158 3.125 1.00 0.00 H +ATOM 850 HG22 THR A 54 -13.195 -16.277 2.874 1.00 0.00 H +ATOM 851 HG23 THR A 54 -12.081 -15.917 1.534 1.00 0.00 H +ATOM 852 N TRP A 55 -11.925 -13.664 -0.742 1.00 0.00 N +ATOM 853 CA TRP A 55 -10.971 -14.027 -1.777 1.00 0.00 C +ATOM 854 C TRP A 55 -9.896 -12.940 -1.831 1.00 0.00 C +ATOM 855 O TRP A 55 -8.723 -13.233 -2.060 1.00 0.00 O +ATOM 856 CB TRP A 55 -11.674 -14.241 -3.119 1.00 0.00 C +ATOM 857 CG TRP A 55 -11.806 -12.970 -3.962 1.00 0.00 C +ATOM 858 CD1 TRP A 55 -12.914 -12.261 -4.217 1.00 0.00 C +ATOM 859 CD2 TRP A 55 -10.742 -12.283 -4.653 1.00 0.00 C +ATOM 860 NE1 TRP A 55 -12.643 -11.171 -5.019 1.00 0.00 N +ATOM 861 CE2 TRP A 55 -11.280 -11.185 -5.293 1.00 0.00 C +ATOM 862 CE3 TRP A 55 -9.370 -12.579 -4.736 1.00 0.00 C +ATOM 863 CZ2 TRP A 55 -10.519 -10.295 -6.060 1.00 0.00 C +ATOM 864 CZ3 TRP A 55 -8.623 -11.680 -5.507 1.00 0.00 C +ATOM 865 CH2 TRP A 55 -9.150 -10.570 -6.157 1.00 0.00 C +ATOM 866 H TRP A 55 -12.865 -13.540 -1.059 1.00 0.00 H +ATOM 867 HA TRP A 55 -10.523 -14.981 -1.498 1.00 0.00 H +ATOM 868 HB2 TRP A 55 -11.123 -14.988 -3.691 1.00 0.00 H +ATOM 869 HB3 TRP A 55 -12.668 -14.648 -2.936 1.00 0.00 H +ATOM 870 HD1 TRP A 55 -13.904 -12.513 -3.838 1.00 0.00 H +ATOM 871 HE1 TRP A 55 -13.365 -10.435 -5.373 1.00 0.00 H +ATOM 872 HE3 TRP A 55 -8.921 -13.439 -4.240 1.00 0.00 H +ATOM 873 HZ2 TRP A 55 -10.969 -9.435 -6.556 1.00 0.00 H +ATOM 874 HZ3 TRP A 55 -7.553 -11.863 -5.604 1.00 0.00 H +ATOM 875 HH2 TRP A 55 -8.500 -9.917 -6.739 1.00 0.00 H +ATOM 876 N VAL A 56 -10.334 -11.708 -1.618 1.00 0.00 N +ATOM 877 CA VAL A 56 -9.423 -10.576 -1.639 1.00 0.00 C +ATOM 878 C VAL A 56 -8.477 -10.665 -0.440 1.00 0.00 C +ATOM 879 O VAL A 56 -7.265 -10.521 -0.590 1.00 0.00 O +ATOM 880 CB VAL A 56 -10.216 -9.268 -1.680 1.00 0.00 C +ATOM 881 CG1 VAL A 56 -9.285 -8.059 -1.559 1.00 0.00 C +ATOM 882 CG2 VAL A 56 -11.066 -9.181 -2.949 1.00 0.00 C +ATOM 883 H VAL A 56 -11.289 -11.478 -1.432 1.00 0.00 H +ATOM 884 HA VAL A 56 -8.836 -10.643 -2.555 1.00 0.00 H +ATOM 885 HB VAL A 56 -10.890 -9.258 -0.824 1.00 0.00 H +ATOM 886 HG11 VAL A 56 -9.720 -7.333 -0.873 1.00 0.00 H +ATOM 887 HG12 VAL A 56 -8.316 -8.383 -1.179 1.00 0.00 H +ATOM 888 HG13 VAL A 56 -9.156 -7.601 -2.540 1.00 0.00 H +ATOM 889 HG21 VAL A 56 -11.687 -8.286 -2.909 1.00 0.00 H +ATOM 890 HG22 VAL A 56 -10.413 -9.132 -3.821 1.00 0.00 H +ATOM 891 HG23 VAL A 56 -11.703 -10.062 -3.021 1.00 0.00 H +ATOM 892 N ARG A 57 -9.067 -10.902 0.722 1.00 0.00 N +ATOM 893 CA ARG A 57 -8.292 -11.011 1.946 1.00 0.00 C +ATOM 894 C ARG A 57 -7.288 -12.162 1.838 1.00 0.00 C +ATOM 895 O ARG A 57 -6.189 -12.085 2.385 1.00 0.00 O +ATOM 896 CB ARG A 57 -9.200 -11.248 3.154 1.00 0.00 C +ATOM 897 CG ARG A 57 -8.951 -10.201 4.241 1.00 0.00 C +ATOM 898 CD ARG A 57 -10.245 -9.866 4.987 1.00 0.00 C +ATOM 899 NE ARG A 57 -10.062 -10.084 6.439 1.00 0.00 N +ATOM 900 CZ ARG A 57 -10.923 -9.663 7.376 1.00 0.00 C +ATOM 901 NH1 ARG A 57 -12.031 -9.000 7.018 1.00 0.00 N +ATOM 902 NH2 ARG A 57 -10.676 -9.906 8.670 1.00 0.00 N +ATOM 903 H ARG A 57 -10.054 -11.018 0.835 1.00 0.00 H +ATOM 904 HA ARG A 57 -7.781 -10.053 2.039 1.00 0.00 H +ATOM 905 HB2 ARG A 57 -10.244 -11.213 2.841 1.00 0.00 H +ATOM 906 HB3 ARG A 57 -9.022 -12.245 3.558 1.00 0.00 H +ATOM 907 HG2 ARG A 57 -8.207 -10.572 4.945 1.00 0.00 H +ATOM 908 HG3 ARG A 57 -8.542 -9.296 3.792 1.00 0.00 H +ATOM 909 HD2 ARG A 57 -10.526 -8.830 4.798 1.00 0.00 H +ATOM 910 HD3 ARG A 57 -11.059 -10.490 4.617 1.00 0.00 H +ATOM 911 HE ARG A 57 -9.246 -10.576 6.741 1.00 0.00 H +ATOM 912 HH11 ARG A 57 -12.215 -8.819 6.052 1.00 0.00 H +ATOM 913 HH12 ARG A 57 -12.673 -8.685 7.717 1.00 0.00 H +ATOM 914 HH21 ARG A 57 -9.850 -10.401 8.937 1.00 0.00 H +ATOM 915 HH22 ARG A 57 -11.319 -9.592 9.369 1.00 0.00 H +ATOM 916 N ASP A 58 -7.703 -13.201 1.128 1.00 0.00 N +ATOM 917 CA ASP A 58 -6.854 -14.365 0.941 1.00 0.00 C +ATOM 918 C ASP A 58 -5.681 -13.995 0.032 1.00 0.00 C +ATOM 919 O ASP A 58 -4.538 -14.357 0.309 1.00 0.00 O +ATOM 920 CB ASP A 58 -7.625 -15.508 0.276 1.00 0.00 C +ATOM 921 CG ASP A 58 -7.114 -16.911 0.607 1.00 0.00 C +ATOM 922 OD1 ASP A 58 -7.437 -17.385 1.718 1.00 0.00 O +ATOM 923 OD2 ASP A 58 -6.413 -17.479 -0.258 1.00 0.00 O +ATOM 924 H ASP A 58 -8.598 -13.255 0.686 1.00 0.00 H +ATOM 925 HA ASP A 58 -6.532 -14.649 1.943 1.00 0.00 H +ATOM 926 HB2 ASP A 58 -8.672 -15.439 0.571 1.00 0.00 H +ATOM 927 HB3 ASP A 58 -7.589 -15.370 -0.805 1.00 0.00 H +ATOM 928 N VAL A 59 -6.003 -13.278 -1.035 1.00 0.00 N +ATOM 929 CA VAL A 59 -4.990 -12.855 -1.986 1.00 0.00 C +ATOM 930 C VAL A 59 -4.058 -11.843 -1.316 1.00 0.00 C +ATOM 931 O VAL A 59 -2.853 -11.845 -1.563 1.00 0.00 O +ATOM 932 CB VAL A 59 -5.655 -12.309 -3.251 1.00 0.00 C +ATOM 933 CG1 VAL A 59 -4.834 -11.167 -3.853 1.00 0.00 C +ATOM 934 CG2 VAL A 59 -5.881 -13.422 -4.276 1.00 0.00 C +ATOM 935 H VAL A 59 -6.935 -12.988 -1.253 1.00 0.00 H +ATOM 936 HA VAL A 59 -4.410 -13.736 -2.263 1.00 0.00 H +ATOM 937 HB VAL A 59 -6.630 -11.909 -2.971 1.00 0.00 H +ATOM 938 HG11 VAL A 59 -3.772 -11.388 -3.748 1.00 0.00 H +ATOM 939 HG12 VAL A 59 -5.080 -11.060 -4.910 1.00 0.00 H +ATOM 940 HG13 VAL A 59 -5.065 -10.239 -3.331 1.00 0.00 H +ATOM 941 HG21 VAL A 59 -5.534 -14.370 -3.865 1.00 0.00 H +ATOM 942 HG22 VAL A 59 -6.944 -13.493 -4.507 1.00 0.00 H +ATOM 943 HG23 VAL A 59 -5.325 -13.196 -5.187 1.00 0.00 H +ATOM 944 N VAL A 60 -4.652 -11.003 -0.481 1.00 0.00 N +ATOM 945 CA VAL A 60 -3.890 -9.987 0.226 1.00 0.00 C +ATOM 946 C VAL A 60 -2.822 -10.665 1.087 1.00 0.00 C +ATOM 947 O VAL A 60 -1.693 -10.185 1.173 1.00 0.00 O +ATOM 948 CB VAL A 60 -4.833 -9.095 1.036 1.00 0.00 C +ATOM 949 CG1 VAL A 60 -4.087 -8.403 2.178 1.00 0.00 C +ATOM 950 CG2 VAL A 60 -5.528 -8.072 0.135 1.00 0.00 C +ATOM 951 H VAL A 60 -5.633 -11.008 -0.286 1.00 0.00 H +ATOM 952 HA VAL A 60 -3.397 -9.366 -0.521 1.00 0.00 H +ATOM 953 HB VAL A 60 -5.602 -9.731 1.475 1.00 0.00 H +ATOM 954 HG11 VAL A 60 -4.628 -7.504 2.473 1.00 0.00 H +ATOM 955 HG12 VAL A 60 -4.016 -9.080 3.029 1.00 0.00 H +ATOM 956 HG13 VAL A 60 -3.085 -8.131 1.845 1.00 0.00 H +ATOM 957 HG21 VAL A 60 -6.386 -7.650 0.659 1.00 0.00 H +ATOM 958 HG22 VAL A 60 -4.828 -7.276 -0.118 1.00 0.00 H +ATOM 959 HG23 VAL A 60 -5.867 -8.562 -0.778 1.00 0.00 H +ATOM 960 N ARG A 61 -3.217 -11.770 1.702 1.00 0.00 N +ATOM 961 CA ARG A 61 -2.307 -12.518 2.553 1.00 0.00 C +ATOM 962 C ARG A 61 -1.068 -12.943 1.762 1.00 0.00 C +ATOM 963 O ARG A 61 0.056 -12.802 2.240 1.00 0.00 O +ATOM 964 CB ARG A 61 -2.988 -13.762 3.128 1.00 0.00 C +ATOM 965 CG ARG A 61 -1.982 -14.645 3.869 1.00 0.00 C +ATOM 966 CD ARG A 61 -1.451 -13.941 5.120 1.00 0.00 C +ATOM 967 NE ARG A 61 -1.838 -14.699 6.330 1.00 0.00 N +ATOM 968 CZ ARG A 61 -1.201 -14.614 7.506 1.00 0.00 C +ATOM 969 NH1 ARG A 61 -0.143 -13.803 7.637 1.00 0.00 N +ATOM 970 NH2 ARG A 61 -1.623 -15.340 8.550 1.00 0.00 N +ATOM 971 H ARG A 61 -4.137 -12.154 1.627 1.00 0.00 H +ATOM 972 HA ARG A 61 -2.043 -11.827 3.354 1.00 0.00 H +ATOM 973 HB2 ARG A 61 -3.785 -13.462 3.809 1.00 0.00 H +ATOM 974 HB3 ARG A 61 -3.453 -14.331 2.323 1.00 0.00 H +ATOM 975 HG2 ARG A 61 -2.456 -15.585 4.150 1.00 0.00 H +ATOM 976 HG3 ARG A 61 -1.152 -14.891 3.206 1.00 0.00 H +ATOM 977 HD2 ARG A 61 -0.366 -13.855 5.066 1.00 0.00 H +ATOM 978 HD3 ARG A 61 -1.849 -12.927 5.173 1.00 0.00 H +ATOM 979 HE ARG A 61 -2.625 -15.314 6.266 1.00 0.00 H +ATOM 980 HH11 ARG A 61 0.172 -13.262 6.857 1.00 0.00 H +ATOM 981 HH12 ARG A 61 0.333 -13.740 8.514 1.00 0.00 H +ATOM 982 HH21 ARG A 61 -2.413 -15.945 8.453 1.00 0.00 H +ATOM 983 HH22 ARG A 61 -1.147 -15.276 9.428 1.00 0.00 H +ATOM 984 N SER A 62 -1.317 -13.454 0.565 1.00 0.00 N +ATOM 985 CA SER A 62 -0.236 -13.901 -0.297 1.00 0.00 C +ATOM 986 C SER A 62 0.544 -12.695 -0.825 1.00 0.00 C +ATOM 987 O SER A 62 1.774 -12.686 -0.796 1.00 0.00 O +ATOM 988 CB SER A 62 -0.769 -14.739 -1.460 1.00 0.00 C +ATOM 989 OG SER A 62 0.209 -15.649 -1.956 1.00 0.00 O +ATOM 990 H SER A 62 -2.234 -13.565 0.184 1.00 0.00 H +ATOM 991 HA SER A 62 0.400 -14.521 0.335 1.00 0.00 H +ATOM 992 HB2 SER A 62 -1.648 -15.294 -1.134 1.00 0.00 H +ATOM 993 HB3 SER A 62 -1.090 -14.078 -2.266 1.00 0.00 H +ATOM 994 HG SER A 62 1.117 -15.385 -1.630 1.00 0.00 H +ATOM 995 N MET A 63 -0.203 -11.707 -1.296 1.00 0.00 N +ATOM 996 CA MET A 63 0.403 -10.499 -1.829 1.00 0.00 C +ATOM 997 C MET A 63 1.570 -10.039 -0.954 1.00 0.00 C +ATOM 998 O MET A 63 2.609 -9.625 -1.466 1.00 0.00 O +ATOM 999 CB MET A 63 -0.648 -9.391 -1.904 1.00 0.00 C +ATOM 1000 CG MET A 63 -1.525 -9.549 -3.148 1.00 0.00 C +ATOM 1001 SD MET A 63 -0.526 -9.414 -4.621 1.00 0.00 S +ATOM 1002 CE MET A 63 0.311 -7.873 -4.287 1.00 0.00 C +ATOM 1003 H MET A 63 -1.202 -11.723 -1.316 1.00 0.00 H +ATOM 1004 HA MET A 63 0.768 -10.768 -2.821 1.00 0.00 H +ATOM 1005 HB2 MET A 63 -1.271 -9.414 -1.010 1.00 0.00 H +ATOM 1006 HB3 MET A 63 -0.156 -8.418 -1.924 1.00 0.00 H +ATOM 1007 HG2 MET A 63 -2.028 -10.516 -3.127 1.00 0.00 H +ATOM 1008 HG3 MET A 63 -2.303 -8.786 -3.154 1.00 0.00 H +ATOM 1009 HE1 MET A 63 -0.416 -7.128 -3.964 1.00 0.00 H +ATOM 1010 HE2 MET A 63 1.051 -8.024 -3.502 1.00 0.00 H +ATOM 1011 HE3 MET A 63 0.808 -7.527 -5.193 1.00 0.00 H +ATOM 1012 N ASP A 64 1.360 -10.126 0.351 1.00 0.00 N +ATOM 1013 CA ASP A 64 2.381 -9.723 1.303 1.00 0.00 C +ATOM 1014 C ASP A 64 3.652 -10.540 1.057 1.00 0.00 C +ATOM 1015 O ASP A 64 4.755 -9.995 1.062 1.00 0.00 O +ATOM 1016 CB ASP A 64 1.926 -9.978 2.741 1.00 0.00 C +ATOM 1017 CG ASP A 64 2.569 -9.072 3.793 1.00 0.00 C +ATOM 1018 OD1 ASP A 64 3.530 -8.365 3.422 1.00 0.00 O +ATOM 1019 OD2 ASP A 64 2.083 -9.106 4.944 1.00 0.00 O +ATOM 1020 H ASP A 64 0.512 -10.464 0.759 1.00 0.00 H +ATOM 1021 HA ASP A 64 2.531 -8.657 1.128 1.00 0.00 H +ATOM 1022 HB2 ASP A 64 0.844 -9.856 2.790 1.00 0.00 H +ATOM 1023 HB3 ASP A 64 2.142 -11.015 2.996 1.00 0.00 H +ATOM 1024 N ARG A 65 3.454 -11.833 0.848 1.00 0.00 N +ATOM 1025 CA ARG A 65 4.570 -12.730 0.601 1.00 0.00 C +ATOM 1026 C ARG A 65 5.163 -12.471 -0.786 1.00 0.00 C +ATOM 1027 O ARG A 65 6.369 -12.608 -0.985 1.00 0.00 O +ATOM 1028 CB ARG A 65 4.132 -14.193 0.695 1.00 0.00 C +ATOM 1029 CG ARG A 65 5.105 -15.106 -0.054 1.00 0.00 C +ATOM 1030 CD ARG A 65 5.192 -16.480 0.615 1.00 0.00 C +ATOM 1031 NE ARG A 65 6.198 -17.316 -0.078 1.00 0.00 N +ATOM 1032 CZ ARG A 65 6.466 -18.589 0.244 1.00 0.00 C +ATOM 1033 NH1 ARG A 65 5.806 -19.179 1.250 1.00 0.00 N +ATOM 1034 NH2 ARG A 65 7.395 -19.271 -0.440 1.00 0.00 N +ATOM 1035 H ARG A 65 2.554 -12.268 0.846 1.00 0.00 H +ATOM 1036 HA ARG A 65 5.291 -12.500 1.385 1.00 0.00 H +ATOM 1037 HB2 ARG A 65 4.078 -14.493 1.741 1.00 0.00 H +ATOM 1038 HB3 ARG A 65 3.130 -14.304 0.279 1.00 0.00 H +ATOM 1039 HG2 ARG A 65 4.779 -15.221 -1.088 1.00 0.00 H +ATOM 1040 HG3 ARG A 65 6.093 -14.647 -0.080 1.00 0.00 H +ATOM 1041 HD2 ARG A 65 5.463 -16.366 1.664 1.00 0.00 H +ATOM 1042 HD3 ARG A 65 4.219 -16.969 0.588 1.00 0.00 H +ATOM 1043 HE ARG A 65 6.708 -16.906 -0.834 1.00 0.00 H +ATOM 1044 HH11 ARG A 65 5.113 -18.670 1.760 1.00 0.00 H +ATOM 1045 HH12 ARG A 65 6.007 -20.129 1.490 1.00 0.00 H +ATOM 1046 HH21 ARG A 65 7.887 -18.831 -1.190 1.00 0.00 H +ATOM 1047 HH22 ARG A 65 7.595 -20.221 -0.199 1.00 0.00 H +ATOM 1048 N LYS A 66 4.287 -12.100 -1.708 1.00 0.00 N +ATOM 1049 CA LYS A 66 4.709 -11.820 -3.070 1.00 0.00 C +ATOM 1050 C LYS A 66 5.573 -10.557 -3.083 1.00 0.00 C +ATOM 1051 O LYS A 66 6.531 -10.463 -3.849 1.00 0.00 O +ATOM 1052 CB LYS A 66 3.498 -11.745 -4.002 1.00 0.00 C +ATOM 1053 CG LYS A 66 3.898 -11.218 -5.381 1.00 0.00 C +ATOM 1054 CD LYS A 66 3.555 -12.231 -6.476 1.00 0.00 C +ATOM 1055 CE LYS A 66 4.357 -11.954 -7.749 1.00 0.00 C +ATOM 1056 NZ LYS A 66 5.488 -12.901 -7.865 1.00 0.00 N +ATOM 1057 H LYS A 66 3.308 -11.990 -1.538 1.00 0.00 H +ATOM 1058 HA LYS A 66 5.320 -12.659 -3.403 1.00 0.00 H +ATOM 1059 HB2 LYS A 66 3.049 -12.734 -4.102 1.00 0.00 H +ATOM 1060 HB3 LYS A 66 2.739 -11.095 -3.566 1.00 0.00 H +ATOM 1061 HG2 LYS A 66 3.385 -10.277 -5.578 1.00 0.00 H +ATOM 1062 HG3 LYS A 66 4.967 -11.008 -5.398 1.00 0.00 H +ATOM 1063 HD2 LYS A 66 3.765 -13.240 -6.121 1.00 0.00 H +ATOM 1064 HD3 LYS A 66 2.488 -12.186 -6.696 1.00 0.00 H +ATOM 1065 HE2 LYS A 66 3.708 -12.044 -8.621 1.00 0.00 H +ATOM 1066 HE3 LYS A 66 4.731 -10.931 -7.735 1.00 0.00 H +ATOM 1067 HZ1 LYS A 66 6.296 -12.511 -7.425 1.00 0.00 H +ATOM 1068 HZ2 LYS A 66 5.248 -13.763 -7.418 1.00 0.00 H +ATOM 1069 HZ3 LYS A 66 5.684 -13.071 -8.831 1.00 0.00 H +ATOM 1070 N SER A 67 5.203 -9.617 -2.225 1.00 0.00 N +ATOM 1071 CA SER A 67 5.932 -8.364 -2.128 1.00 0.00 C +ATOM 1072 C SER A 67 6.410 -8.147 -0.691 1.00 0.00 C +ATOM 1073 O SER A 67 6.372 -7.027 -0.183 1.00 0.00 O +ATOM 1074 CB SER A 67 5.068 -7.187 -2.583 1.00 0.00 C +ATOM 1075 OG SER A 67 5.840 -6.171 -3.218 1.00 0.00 O +ATOM 1076 H SER A 67 4.423 -9.701 -1.606 1.00 0.00 H +ATOM 1077 HA SER A 67 6.782 -8.472 -2.802 1.00 0.00 H +ATOM 1078 HB2 SER A 67 4.303 -7.544 -3.273 1.00 0.00 H +ATOM 1079 HB3 SER A 67 4.549 -6.764 -1.723 1.00 0.00 H +ATOM 1080 HG SER A 67 5.486 -5.269 -2.972 1.00 0.00 H +ATOM 1081 N ASN A 68 6.850 -9.235 -0.076 1.00 0.00 N +ATOM 1082 CA ASN A 68 7.335 -9.178 1.292 1.00 0.00 C +ATOM 1083 C ASN A 68 8.658 -8.411 1.328 1.00 0.00 C +ATOM 1084 O ASN A 68 8.819 -7.480 2.116 1.00 0.00 O +ATOM 1085 CB ASN A 68 7.587 -10.582 1.846 1.00 0.00 C +ATOM 1086 CG ASN A 68 6.651 -10.884 3.019 1.00 0.00 C +ATOM 1087 OD1 ASN A 68 5.744 -10.131 3.333 1.00 0.00 O +ATOM 1088 ND2 ASN A 68 6.922 -12.025 3.646 1.00 0.00 N +ATOM 1089 H ASN A 68 6.878 -10.142 -0.497 1.00 0.00 H +ATOM 1090 HA ASN A 68 6.547 -8.677 1.854 1.00 0.00 H +ATOM 1091 HB2 ASN A 68 7.438 -11.320 1.058 1.00 0.00 H +ATOM 1092 HB3 ASN A 68 8.623 -10.667 2.172 1.00 0.00 H +ATOM 1093 HD21 ASN A 68 7.681 -12.598 3.337 1.00 0.00 H +ATOM 1094 HD22 ASN A 68 6.365 -12.311 4.426 1.00 0.00 H +ATOM 1095 N THR A 69 9.572 -8.831 0.465 1.00 0.00 N +ATOM 1096 CA THR A 69 10.876 -8.195 0.389 1.00 0.00 C +ATOM 1097 C THR A 69 11.042 -7.478 -0.953 1.00 0.00 C +ATOM 1098 O THR A 69 11.980 -7.758 -1.698 1.00 0.00 O +ATOM 1099 CB THR A 69 11.940 -9.265 0.641 1.00 0.00 C +ATOM 1100 OG1 THR A 69 11.618 -9.777 1.932 1.00 0.00 O +ATOM 1101 CG2 THR A 69 13.339 -8.671 0.815 1.00 0.00 C +ATOM 1102 H THR A 69 9.433 -9.589 -0.172 1.00 0.00 H +ATOM 1103 HA THR A 69 10.934 -7.434 1.167 1.00 0.00 H +ATOM 1104 HB THR A 69 11.931 -10.017 -0.148 1.00 0.00 H +ATOM 1105 HG1 THR A 69 12.231 -10.532 2.163 1.00 0.00 H +ATOM 1106 HG21 THR A 69 13.545 -8.531 1.876 1.00 0.00 H +ATOM 1107 HG22 THR A 69 14.077 -9.350 0.388 1.00 0.00 H +ATOM 1108 HG23 THR A 69 13.391 -7.709 0.304 1.00 0.00 H +ATOM 1109 N ARG A 70 10.117 -6.568 -1.220 1.00 0.00 N +ATOM 1110 CA ARG A 70 10.149 -5.810 -2.459 1.00 0.00 C +ATOM 1111 C ARG A 70 9.234 -4.588 -2.356 1.00 0.00 C +ATOM 1112 O ARG A 70 9.602 -3.494 -2.783 1.00 0.00 O +ATOM 1113 CB ARG A 70 9.707 -6.671 -3.643 1.00 0.00 C +ATOM 1114 CG ARG A 70 10.078 -6.008 -4.972 1.00 0.00 C +ATOM 1115 CD ARG A 70 10.555 -7.047 -5.989 1.00 0.00 C +ATOM 1116 NE ARG A 70 10.379 -6.527 -7.363 1.00 0.00 N +ATOM 1117 CZ ARG A 70 11.115 -5.542 -7.894 1.00 0.00 C +ATOM 1118 NH1 ARG A 70 12.082 -4.963 -7.169 1.00 0.00 N +ATOM 1119 NH2 ARG A 70 10.885 -5.135 -9.150 1.00 0.00 N +ATOM 1120 H ARG A 70 9.357 -6.347 -0.608 1.00 0.00 H +ATOM 1121 HA ARG A 70 11.190 -5.511 -2.576 1.00 0.00 H +ATOM 1122 HB2 ARG A 70 10.177 -7.652 -3.579 1.00 0.00 H +ATOM 1123 HB3 ARG A 70 8.630 -6.830 -3.601 1.00 0.00 H +ATOM 1124 HG2 ARG A 70 9.215 -5.474 -5.369 1.00 0.00 H +ATOM 1125 HG3 ARG A 70 10.862 -5.269 -4.807 1.00 0.00 H +ATOM 1126 HD2 ARG A 70 11.604 -7.286 -5.813 1.00 0.00 H +ATOM 1127 HD3 ARG A 70 9.992 -7.973 -5.866 1.00 0.00 H +ATOM 1128 HE ARG A 70 9.665 -6.938 -7.932 1.00 0.00 H +ATOM 1129 HH11 ARG A 70 12.254 -5.267 -6.231 1.00 0.00 H +ATOM 1130 HH12 ARG A 70 12.632 -4.227 -7.565 1.00 0.00 H +ATOM 1131 HH21 ARG A 70 10.164 -5.567 -9.691 1.00 0.00 H +ATOM 1132 HH22 ARG A 70 11.435 -4.399 -9.546 1.00 0.00 H +ATOM 1133 N ASN A 71 8.058 -4.814 -1.788 1.00 0.00 N +ATOM 1134 CA ASN A 71 7.088 -3.745 -1.624 1.00 0.00 C +ATOM 1135 C ASN A 71 7.813 -2.463 -1.208 1.00 0.00 C +ATOM 1136 O ASN A 71 7.818 -1.481 -1.948 1.00 0.00 O +ATOM 1137 CB ASN A 71 6.070 -4.088 -0.534 1.00 0.00 C +ATOM 1138 CG ASN A 71 4.993 -3.006 -0.430 1.00 0.00 C +ATOM 1139 OD1 ASN A 71 5.271 -1.818 -0.390 1.00 0.00 O +ATOM 1140 ND2 ASN A 71 3.752 -3.481 -0.389 1.00 0.00 N +ATOM 1141 H ASN A 71 7.767 -5.706 -1.443 1.00 0.00 H +ATOM 1142 HA ASN A 71 6.599 -3.652 -2.593 1.00 0.00 H +ATOM 1143 HB2 ASN A 71 5.605 -5.048 -0.755 1.00 0.00 H +ATOM 1144 HB3 ASN A 71 6.579 -4.192 0.424 1.00 0.00 H +ATOM 1145 HD21 ASN A 71 3.592 -4.467 -0.426 1.00 0.00 H +ATOM 1146 HD22 ASN A 71 2.977 -2.851 -0.321 1.00 0.00 H +ATOM 1147 N ASN A 72 8.407 -2.515 -0.025 1.00 0.00 N +ATOM 1148 CA ASN A 72 9.133 -1.370 0.498 1.00 0.00 C +ATOM 1149 C ASN A 72 9.702 -1.719 1.875 1.00 0.00 C +ATOM 1150 O ASN A 72 9.282 -1.157 2.885 1.00 0.00 O +ATOM 1151 CB ASN A 72 8.211 -0.160 0.661 1.00 0.00 C +ATOM 1152 CG ASN A 72 7.061 -0.472 1.621 1.00 0.00 C +ATOM 1153 OD1 ASN A 72 6.668 -1.611 1.811 1.00 0.00 O +ATOM 1154 ND2 ASN A 72 6.546 0.601 2.214 1.00 0.00 N +ATOM 1155 H ASN A 72 8.398 -3.318 0.571 1.00 0.00 H +ATOM 1156 HA ASN A 72 9.912 -1.166 -0.235 1.00 0.00 H +ATOM 1157 HB2 ASN A 72 8.782 0.689 1.035 1.00 0.00 H +ATOM 1158 HB3 ASN A 72 7.810 0.129 -0.311 1.00 0.00 H +ATOM 1159 HD21 ASN A 72 6.915 1.509 2.014 1.00 0.00 H +ATOM 1160 HD22 ASN A 72 5.789 0.500 2.860 1.00 0.00 H +ATOM 1161 N MET A 73 10.650 -2.645 1.871 1.00 0.00 N +ATOM 1162 CA MET A 73 11.281 -3.075 3.107 1.00 0.00 C +ATOM 1163 C MET A 73 12.360 -2.083 3.546 1.00 0.00 C +ATOM 1164 O MET A 73 13.487 -2.477 3.841 1.00 0.00 O +ATOM 1165 CB MET A 73 11.908 -4.456 2.907 1.00 0.00 C +ATOM 1166 CG MET A 73 13.129 -4.376 1.987 1.00 0.00 C +ATOM 1167 SD MET A 73 12.770 -5.161 0.425 1.00 0.00 S +ATOM 1168 CE MET A 73 12.529 -3.719 -0.599 1.00 0.00 C +ATOM 1169 H MET A 73 10.986 -3.098 1.045 1.00 0.00 H +ATOM 1170 HA MET A 73 10.483 -3.106 3.848 1.00 0.00 H +ATOM 1171 HB2 MET A 73 12.202 -4.870 3.871 1.00 0.00 H +ATOM 1172 HB3 MET A 73 11.171 -5.136 2.479 1.00 0.00 H +ATOM 1173 HG2 MET A 73 13.404 -3.334 1.825 1.00 0.00 H +ATOM 1174 HG3 MET A 73 13.983 -4.861 2.460 1.00 0.00 H +ATOM 1175 HE1 MET A 73 12.620 -2.821 0.012 1.00 0.00 H +ATOM 1176 HE2 MET A 73 13.283 -3.702 -1.385 1.00 0.00 H +ATOM 1177 HE3 MET A 73 11.536 -3.754 -1.048 1.00 0.00 H +ATOM 1178 N ILE A 74 11.977 -0.815 3.574 1.00 0.00 N +ATOM 1179 CA ILE A 74 12.898 0.236 3.972 1.00 0.00 C +ATOM 1180 C ILE A 74 12.109 1.392 4.592 1.00 0.00 C +ATOM 1181 O ILE A 74 10.885 1.445 4.475 1.00 0.00 O +ATOM 1182 CB ILE A 74 13.776 0.655 2.791 1.00 0.00 C +ATOM 1183 CG1 ILE A 74 12.966 0.696 1.493 1.00 0.00 C +ATOM 1184 CG2 ILE A 74 15.003 -0.251 2.672 1.00 0.00 C +ATOM 1185 CD1 ILE A 74 12.040 1.914 1.464 1.00 0.00 C +ATOM 1186 H ILE A 74 11.058 -0.503 3.332 1.00 0.00 H +ATOM 1187 HA ILE A 74 13.558 -0.179 4.733 1.00 0.00 H +ATOM 1188 HB ILE A 74 14.139 1.666 2.976 1.00 0.00 H +ATOM 1189 HG12 ILE A 74 13.642 0.728 0.639 1.00 0.00 H +ATOM 1190 HG13 ILE A 74 12.376 -0.216 1.399 1.00 0.00 H +ATOM 1191 HG21 ILE A 74 14.804 -1.038 1.944 1.00 0.00 H +ATOM 1192 HG22 ILE A 74 15.859 0.338 2.345 1.00 0.00 H +ATOM 1193 HG23 ILE A 74 15.219 -0.699 3.642 1.00 0.00 H +ATOM 1194 HD11 ILE A 74 12.417 2.674 2.149 1.00 0.00 H +ATOM 1195 HD12 ILE A 74 12.007 2.321 0.453 1.00 0.00 H +ATOM 1196 HD13 ILE A 74 11.037 1.615 1.768 1.00 0.00 H +ATOM 1197 N GLN A 75 12.841 2.287 5.237 1.00 0.00 N +ATOM 1198 CA GLN A 75 12.226 3.438 5.875 1.00 0.00 C +ATOM 1199 C GLN A 75 13.254 4.557 6.058 1.00 0.00 C +ATOM 1200 O GLN A 75 13.914 4.633 7.093 1.00 0.00 O +ATOM 1201 CB GLN A 75 11.593 3.050 7.212 1.00 0.00 C +ATOM 1202 CG GLN A 75 10.092 2.796 7.055 1.00 0.00 C +ATOM 1203 CD GLN A 75 9.326 3.245 8.302 1.00 0.00 C +ATOM 1204 OE1 GLN A 75 9.871 3.363 9.387 1.00 0.00 O +ATOM 1205 NE2 GLN A 75 8.037 3.488 8.086 1.00 0.00 N +ATOM 1206 H GLN A 75 13.836 2.236 5.327 1.00 0.00 H +ATOM 1207 HA GLN A 75 11.443 3.765 5.190 1.00 0.00 H +ATOM 1208 HB2 GLN A 75 12.078 2.156 7.603 1.00 0.00 H +ATOM 1209 HB3 GLN A 75 11.756 3.845 7.940 1.00 0.00 H +ATOM 1210 HG2 GLN A 75 9.718 3.330 6.182 1.00 0.00 H +ATOM 1211 HG3 GLN A 75 9.916 1.734 6.879 1.00 0.00 H +ATOM 1212 HE21 GLN A 75 7.653 3.371 7.170 1.00 0.00 H +ATOM 1213 HE22 GLN A 75 7.452 3.787 8.839 1.00 0.00 H +ATOM 1214 N THR A 76 13.357 5.396 5.038 1.00 0.00 N +ATOM 1215 CA THR A 76 14.293 6.506 5.074 1.00 0.00 C +ATOM 1216 C THR A 76 14.304 7.149 6.463 1.00 0.00 C +ATOM 1217 O THR A 76 13.367 6.974 7.240 1.00 0.00 O +ATOM 1218 CB THR A 76 13.915 7.480 3.957 1.00 0.00 C +ATOM 1219 OG1 THR A 76 12.490 7.478 3.962 1.00 0.00 O +ATOM 1220 CG2 THR A 76 14.283 6.951 2.569 1.00 0.00 C +ATOM 1221 H THR A 76 12.815 5.326 4.200 1.00 0.00 H +ATOM 1222 HA THR A 76 15.295 6.117 4.894 1.00 0.00 H +ATOM 1223 HB THR A 76 14.357 8.461 4.129 1.00 0.00 H +ATOM 1224 HG1 THR A 76 12.144 7.925 3.137 1.00 0.00 H +ATOM 1225 HG21 THR A 76 14.259 7.769 1.850 1.00 0.00 H +ATOM 1226 HG22 THR A 76 15.284 6.521 2.598 1.00 0.00 H +ATOM 1227 HG23 THR A 76 13.567 6.184 2.271 1.00 0.00 H +ATOM 1228 N LYS A 77 15.376 7.881 6.732 1.00 0.00 N +ATOM 1229 CA LYS A 77 15.522 8.551 8.013 1.00 0.00 C +ATOM 1230 C LYS A 77 15.469 10.065 7.801 1.00 0.00 C +ATOM 1231 O LYS A 77 16.455 10.672 7.386 1.00 0.00 O +ATOM 1232 CB LYS A 77 16.788 8.074 8.726 1.00 0.00 C +ATOM 1233 CG LYS A 77 16.442 7.192 9.928 1.00 0.00 C +ATOM 1234 CD LYS A 77 17.379 5.985 10.011 1.00 0.00 C +ATOM 1235 CE LYS A 77 18.361 6.132 11.174 1.00 0.00 C +ATOM 1236 NZ LYS A 77 18.951 4.821 11.523 1.00 0.00 N +ATOM 1237 H LYS A 77 16.134 8.018 6.095 1.00 0.00 H +ATOM 1238 HA LYS A 77 14.674 8.259 8.633 1.00 0.00 H +ATOM 1239 HB2 LYS A 77 17.414 7.516 8.030 1.00 0.00 H +ATOM 1240 HB3 LYS A 77 17.370 8.934 9.057 1.00 0.00 H +ATOM 1241 HG2 LYS A 77 16.515 7.777 10.845 1.00 0.00 H +ATOM 1242 HG3 LYS A 77 15.410 6.852 9.848 1.00 0.00 H +ATOM 1243 HD2 LYS A 77 16.793 5.074 10.137 1.00 0.00 H +ATOM 1244 HD3 LYS A 77 17.929 5.883 9.076 1.00 0.00 H +ATOM 1245 HE2 LYS A 77 19.151 6.833 10.904 1.00 0.00 H +ATOM 1246 HE3 LYS A 77 17.848 6.549 12.041 1.00 0.00 H +ATOM 1247 HZ1 LYS A 77 19.284 4.845 12.466 1.00 0.00 H +ATOM 1248 HZ2 LYS A 77 18.256 4.108 11.434 1.00 0.00 H +ATOM 1249 HZ3 LYS A 77 19.713 4.623 10.906 1.00 0.00 H +ATOM 1250 N PRO A 78 14.277 10.646 8.102 1.00 0.00 N +ATOM 1251 CA PRO A 78 14.083 12.078 7.948 1.00 0.00 C +ATOM 1252 C PRO A 78 14.782 12.850 9.069 1.00 0.00 C +ATOM 1253 O PRO A 78 15.226 12.258 10.052 1.00 0.00 O +ATOM 1254 CB PRO A 78 12.575 12.272 7.945 1.00 0.00 C +ATOM 1255 CG PRO A 78 11.991 11.011 8.559 1.00 0.00 C +ATOM 1256 CD PRO A 78 13.087 9.959 8.595 1.00 0.00 C +ATOM 1257 HA PRO A 78 14.500 12.396 7.097 1.00 0.00 H +ATOM 1258 HB2 PRO A 78 12.293 13.154 8.520 1.00 0.00 H +ATOM 1259 HB3 PRO A 78 12.203 12.421 6.931 1.00 0.00 H +ATOM 1260 HG2 PRO A 78 11.621 11.212 9.565 1.00 0.00 H +ATOM 1261 HG3 PRO A 78 11.142 10.658 7.973 1.00 0.00 H +ATOM 1262 HD2 PRO A 78 13.239 9.580 9.606 1.00 0.00 H +ATOM 1263 HD3 PRO A 78 12.836 9.103 7.969 1.00 0.00 H +ATOM 1264 N THR A 79 14.858 14.160 8.884 1.00 0.00 N +ATOM 1265 CA THR A 79 15.496 15.019 9.867 1.00 0.00 C +ATOM 1266 C THR A 79 14.459 15.567 10.849 1.00 0.00 C +ATOM 1267 O THR A 79 13.262 15.555 10.565 1.00 0.00 O +ATOM 1268 CB THR A 79 16.260 16.111 9.116 1.00 0.00 C +ATOM 1269 OG1 THR A 79 16.802 15.439 7.983 1.00 0.00 O +ATOM 1270 CG2 THR A 79 17.490 16.599 9.884 1.00 0.00 C +ATOM 1271 H THR A 79 14.494 14.633 8.082 1.00 0.00 H +ATOM 1272 HA THR A 79 16.197 14.417 10.446 1.00 0.00 H +ATOM 1273 HB THR A 79 15.602 16.943 8.865 1.00 0.00 H +ATOM 1274 HG1 THR A 79 17.484 14.769 8.276 1.00 0.00 H +ATOM 1275 HG21 THR A 79 17.952 15.758 10.402 1.00 0.00 H +ATOM 1276 HG22 THR A 79 18.205 17.033 9.186 1.00 0.00 H +ATOM 1277 HG23 THR A 79 17.189 17.353 10.612 1.00 0.00 H +ATOM 1278 N GLY A 80 14.955 16.037 11.984 1.00 0.00 N +ATOM 1279 CA GLY A 80 14.086 16.589 13.009 1.00 0.00 C +ATOM 1280 C GLY A 80 14.626 17.926 13.523 1.00 0.00 C +ATOM 1281 O GLY A 80 14.627 18.919 12.798 1.00 0.00 O +ATOM 1282 H GLY A 80 15.930 16.044 12.207 1.00 0.00 H +ATOM 1283 HA2 GLY A 80 13.084 16.729 12.605 1.00 0.00 H +ATOM 1284 HA3 GLY A 80 14.001 15.885 13.837 1.00 0.00 H +ATOM 1285 N THR A 81 15.071 17.907 14.771 1.00 0.00 N +ATOM 1286 CA THR A 81 15.612 19.104 15.391 1.00 0.00 C +ATOM 1287 C THR A 81 16.552 18.733 16.539 1.00 0.00 C +ATOM 1288 O THR A 81 17.337 17.792 16.424 1.00 0.00 O +ATOM 1289 CB THR A 81 14.438 19.982 15.827 1.00 0.00 C +ATOM 1290 OG1 THR A 81 15.057 21.152 16.357 1.00 0.00 O +ATOM 1291 CG2 THR A 81 13.676 19.393 17.016 1.00 0.00 C +ATOM 1292 H THR A 81 15.067 17.094 15.354 1.00 0.00 H +ATOM 1293 HA THR A 81 16.208 19.636 14.649 1.00 0.00 H +ATOM 1294 HB THR A 81 13.765 20.177 14.992 1.00 0.00 H +ATOM 1295 HG1 THR A 81 14.522 21.961 16.114 1.00 0.00 H +ATOM 1296 HG21 THR A 81 14.029 18.380 17.208 1.00 0.00 H +ATOM 1297 HG22 THR A 81 13.846 20.010 17.898 1.00 0.00 H +ATOM 1298 HG23 THR A 81 12.610 19.369 16.789 1.00 0.00 H +ATOM 1299 N GLN A 82 16.442 19.490 17.621 1.00 0.00 N +ATOM 1300 CA GLN A 82 17.273 19.252 18.789 1.00 0.00 C +ATOM 1301 C GLN A 82 16.723 20.016 19.995 1.00 0.00 C +ATOM 1302 O GLN A 82 15.830 20.849 19.853 1.00 0.00 O +ATOM 1303 CB GLN A 82 18.728 19.635 18.514 1.00 0.00 C +ATOM 1304 CG GLN A 82 19.681 18.521 18.953 1.00 0.00 C +ATOM 1305 CD GLN A 82 20.537 18.038 17.781 1.00 0.00 C +ATOM 1306 OE1 GLN A 82 20.048 17.727 16.708 1.00 0.00 O +ATOM 1307 NE2 GLN A 82 21.840 17.992 18.046 1.00 0.00 N +ATOM 1308 H GLN A 82 15.801 20.253 17.706 1.00 0.00 H +ATOM 1309 HA GLN A 82 17.214 18.179 18.972 1.00 0.00 H +ATOM 1310 HB2 GLN A 82 18.861 19.833 17.451 1.00 0.00 H +ATOM 1311 HB3 GLN A 82 18.972 20.556 19.043 1.00 0.00 H +ATOM 1312 HG2 GLN A 82 20.325 18.883 19.754 1.00 0.00 H +ATOM 1313 HG3 GLN A 82 19.108 17.686 19.358 1.00 0.00 H +ATOM 1314 HE21 GLN A 82 22.176 18.260 18.949 1.00 0.00 H +ATOM 1315 HE22 GLN A 82 22.483 17.689 17.343 1.00 0.00 H +ATOM 1316 N GLN A 83 17.281 19.705 21.156 1.00 0.00 N +ATOM 1317 CA GLN A 83 16.858 20.351 22.387 1.00 0.00 C +ATOM 1318 C GLN A 83 17.995 20.339 23.411 1.00 0.00 C +ATOM 1319 O GLN A 83 18.942 19.564 23.283 1.00 0.00 O +ATOM 1320 CB GLN A 83 15.603 19.685 22.953 1.00 0.00 C +ATOM 1321 CG GLN A 83 14.664 20.722 23.574 1.00 0.00 C +ATOM 1322 CD GLN A 83 13.276 20.127 23.820 1.00 0.00 C +ATOM 1323 OE1 GLN A 83 13.029 19.446 24.802 1.00 0.00 O +ATOM 1324 NE2 GLN A 83 12.387 20.421 22.876 1.00 0.00 N +ATOM 1325 H GLN A 83 18.007 19.026 21.264 1.00 0.00 H +ATOM 1326 HA GLN A 83 16.622 21.378 22.108 1.00 0.00 H +ATOM 1327 HB2 GLN A 83 15.083 19.147 22.160 1.00 0.00 H +ATOM 1328 HB3 GLN A 83 15.885 18.948 23.705 1.00 0.00 H +ATOM 1329 HG2 GLN A 83 15.083 21.079 24.515 1.00 0.00 H +ATOM 1330 HG3 GLN A 83 14.582 21.585 22.914 1.00 0.00 H +ATOM 1331 HE21 GLN A 83 12.654 20.986 22.095 1.00 0.00 H +ATOM 1332 HE22 GLN A 83 11.450 20.078 22.947 1.00 0.00 H +ATOM 1333 N SER A 84 17.864 21.206 24.404 1.00 0.00 N +ATOM 1334 CA SER A 84 18.868 21.305 25.449 1.00 0.00 C +ATOM 1335 C SER A 84 18.293 22.043 26.659 1.00 0.00 C +ATOM 1336 O SER A 84 17.193 22.590 26.592 1.00 0.00 O +ATOM 1337 CB SER A 84 20.124 22.016 24.941 1.00 0.00 C +ATOM 1338 OG SER A 84 19.855 23.360 24.550 1.00 0.00 O +ATOM 1339 H SER A 84 17.090 21.833 24.500 1.00 0.00 H +ATOM 1340 HA SER A 84 19.114 20.276 25.710 1.00 0.00 H +ATOM 1341 HB2 SER A 84 20.884 22.011 25.722 1.00 0.00 H +ATOM 1342 HB3 SER A 84 20.534 21.467 24.093 1.00 0.00 H +ATOM 1343 HG SER A 84 20.282 23.551 23.667 1.00 0.00 H +ATOM 1344 N THR A 85 19.062 22.035 27.738 1.00 0.00 N +ATOM 1345 CA THR A 85 18.643 22.697 28.961 1.00 0.00 C +ATOM 1346 C THR A 85 19.862 23.148 29.768 1.00 0.00 C +ATOM 1347 O THR A 85 20.973 22.671 29.541 1.00 0.00 O +ATOM 1348 CB THR A 85 17.728 21.740 29.727 1.00 0.00 C +ATOM 1349 OG1 THR A 85 16.953 21.112 28.710 1.00 0.00 O +ATOM 1350 CG2 THR A 85 16.694 22.476 30.582 1.00 0.00 C +ATOM 1351 H THR A 85 19.956 21.588 27.784 1.00 0.00 H +ATOM 1352 HA THR A 85 18.087 23.595 28.693 1.00 0.00 H +ATOM 1353 HB THR A 85 18.311 21.045 30.333 1.00 0.00 H +ATOM 1354 HG1 THR A 85 17.457 20.340 28.323 1.00 0.00 H +ATOM 1355 HG21 THR A 85 16.457 23.434 30.120 1.00 0.00 H +ATOM 1356 HG22 THR A 85 15.789 21.874 30.656 1.00 0.00 H +ATOM 1357 HG23 THR A 85 17.101 22.645 31.579 1.00 0.00 H +ATOM 1358 N ASN A 86 19.614 24.064 30.693 1.00 0.00 N +ATOM 1359 CA ASN A 86 20.677 24.585 31.535 1.00 0.00 C +ATOM 1360 C ASN A 86 20.158 24.744 32.966 1.00 0.00 C +ATOM 1361 O ASN A 86 18.963 24.598 33.216 1.00 0.00 O +ATOM 1362 CB ASN A 86 21.144 25.957 31.046 1.00 0.00 C +ATOM 1363 CG ASN A 86 22.441 25.842 30.243 1.00 0.00 C +ATOM 1364 OD1 ASN A 86 23.536 25.823 30.781 1.00 0.00 O +ATOM 1365 ND2 ASN A 86 22.257 25.766 28.928 1.00 0.00 N +ATOM 1366 H ASN A 86 18.708 24.447 30.872 1.00 0.00 H +ATOM 1367 HA ASN A 86 21.484 23.855 31.463 1.00 0.00 H +ATOM 1368 HB2 ASN A 86 20.369 26.411 30.429 1.00 0.00 H +ATOM 1369 HB3 ASN A 86 21.298 26.618 31.900 1.00 0.00 H +ATOM 1370 HD21 ASN A 86 21.332 25.787 28.550 1.00 0.00 H +ATOM 1371 HD22 ASN A 86 23.045 25.687 28.317 1.00 0.00 H +ATOM 1372 N THR A 87 21.083 25.041 33.867 1.00 0.00 N +ATOM 1373 CA THR A 87 20.733 25.221 35.266 1.00 0.00 C +ATOM 1374 C THR A 87 21.667 26.240 35.922 1.00 0.00 C +ATOM 1375 O THR A 87 22.582 26.753 35.279 1.00 0.00 O +ATOM 1376 CB THR A 87 20.762 23.848 35.941 1.00 0.00 C +ATOM 1377 OG1 THR A 87 22.132 23.461 35.882 1.00 0.00 O +ATOM 1378 CG2 THR A 87 20.037 22.778 35.123 1.00 0.00 C +ATOM 1379 H THR A 87 22.053 25.158 33.655 1.00 0.00 H +ATOM 1380 HA THR A 87 19.725 25.631 35.318 1.00 0.00 H +ATOM 1381 HB THR A 87 20.361 23.904 36.953 1.00 0.00 H +ATOM 1382 HG1 THR A 87 22.431 23.405 34.929 1.00 0.00 H +ATOM 1383 HG21 THR A 87 18.996 23.070 34.985 1.00 0.00 H +ATOM 1384 HG22 THR A 87 20.518 22.676 34.150 1.00 0.00 H +ATOM 1385 HG23 THR A 87 20.080 21.826 35.651 1.00 0.00 H +ATOM 1386 N ALA A 88 21.403 26.505 37.193 1.00 0.00 N +ATOM 1387 CA ALA A 88 22.208 27.454 37.943 1.00 0.00 C +ATOM 1388 C ALA A 88 21.837 27.372 39.425 1.00 0.00 C +ATOM 1389 O ALA A 88 20.749 27.788 39.820 1.00 0.00 O +ATOM 1390 CB ALA A 88 22.010 28.858 37.368 1.00 0.00 C +ATOM 1391 H ALA A 88 20.657 26.084 37.708 1.00 0.00 H +ATOM 1392 HA ALA A 88 23.254 27.170 37.822 1.00 0.00 H +ATOM 1393 HB1 ALA A 88 22.675 29.000 36.517 1.00 0.00 H +ATOM 1394 HB2 ALA A 88 20.976 28.975 37.045 1.00 0.00 H +ATOM 1395 HB3 ALA A 88 22.237 29.599 38.134 1.00 0.00 H +ATOM 1396 N VAL A 89 22.762 26.833 40.205 1.00 0.00 N +ATOM 1397 CA VAL A 89 22.546 26.691 41.635 1.00 0.00 C +ATOM 1398 C VAL A 89 23.896 26.534 42.337 1.00 0.00 C +ATOM 1399 O VAL A 89 24.629 25.582 42.075 1.00 0.00 O +ATOM 1400 CB VAL A 89 21.591 25.526 41.907 1.00 0.00 C +ATOM 1401 CG1 VAL A 89 22.262 24.185 41.603 1.00 0.00 C +ATOM 1402 CG2 VAL A 89 21.073 25.567 43.345 1.00 0.00 C +ATOM 1403 H VAL A 89 23.645 26.496 39.876 1.00 0.00 H +ATOM 1404 HA VAL A 89 22.071 27.606 41.988 1.00 0.00 H +ATOM 1405 HB VAL A 89 20.736 25.632 41.239 1.00 0.00 H +ATOM 1406 HG11 VAL A 89 21.516 23.391 41.633 1.00 0.00 H +ATOM 1407 HG12 VAL A 89 22.715 24.222 40.612 1.00 0.00 H +ATOM 1408 HG13 VAL A 89 23.033 23.988 42.348 1.00 0.00 H +ATOM 1409 HG21 VAL A 89 21.484 24.726 43.904 1.00 0.00 H +ATOM 1410 HG22 VAL A 89 21.381 26.501 43.816 1.00 0.00 H +ATOM 1411 HG23 VAL A 89 19.985 25.503 43.342 1.00 0.00 H +ATOM 1412 N THR A 90 24.183 27.483 43.217 1.00 0.00 N +ATOM 1413 CA THR A 90 25.432 27.462 43.959 1.00 0.00 C +ATOM 1414 C THR A 90 25.158 27.336 45.459 1.00 0.00 C +ATOM 1415 O THR A 90 24.135 27.811 45.950 1.00 0.00 O +ATOM 1416 CB THR A 90 26.223 28.718 43.589 1.00 0.00 C +ATOM 1417 OG1 THR A 90 26.463 28.577 42.192 1.00 0.00 O +ATOM 1418 CG2 THR A 90 27.622 28.732 44.208 1.00 0.00 C +ATOM 1419 H THR A 90 23.581 28.253 43.425 1.00 0.00 H +ATOM 1420 HA THR A 90 25.994 26.576 43.661 1.00 0.00 H +ATOM 1421 HB THR A 90 25.670 29.618 43.855 1.00 0.00 H +ATOM 1422 HG1 THR A 90 26.133 29.386 41.705 1.00 0.00 H +ATOM 1423 HG21 THR A 90 27.750 27.851 44.837 1.00 0.00 H +ATOM 1424 HG22 THR A 90 28.370 28.725 43.416 1.00 0.00 H +ATOM 1425 HG23 THR A 90 27.742 29.631 44.813 1.00 0.00 H +ATOM 1426 N LEU A 91 26.091 26.693 46.147 1.00 0.00 N +ATOM 1427 CA LEU A 91 25.963 26.498 47.581 1.00 0.00 C +ATOM 1428 C LEU A 91 25.420 27.779 48.218 1.00 0.00 C +ATOM 1429 O LEU A 91 25.582 28.867 47.668 1.00 0.00 O +ATOM 1430 CB LEU A 91 27.291 26.029 48.178 1.00 0.00 C +ATOM 1431 CG LEU A 91 28.291 27.130 48.539 1.00 0.00 C +ATOM 1432 CD1 LEU A 91 28.907 26.881 49.916 1.00 0.00 C +ATOM 1433 CD2 LEU A 91 29.357 27.279 47.452 1.00 0.00 C +ATOM 1434 H LEU A 91 26.920 26.309 45.740 1.00 0.00 H +ATOM 1435 HA LEU A 91 25.239 25.700 47.739 1.00 0.00 H +ATOM 1436 HB2 LEU A 91 27.078 25.451 49.077 1.00 0.00 H +ATOM 1437 HB3 LEU A 91 27.767 25.352 47.469 1.00 0.00 H +ATOM 1438 HG LEU A 91 27.752 28.076 48.593 1.00 0.00 H +ATOM 1439 HD11 LEU A 91 29.594 27.693 50.159 1.00 0.00 H +ATOM 1440 HD12 LEU A 91 28.117 26.838 50.666 1.00 0.00 H +ATOM 1441 HD13 LEU A 91 29.450 25.936 49.906 1.00 0.00 H +ATOM 1442 HD21 LEU A 91 29.848 28.248 47.554 1.00 0.00 H +ATOM 1443 HD22 LEU A 91 30.097 26.485 47.557 1.00 0.00 H +ATOM 1444 HD23 LEU A 91 28.888 27.212 46.470 1.00 0.00 H +ATOM 1445 N THR A 92 24.788 27.607 49.370 1.00 0.00 N +ATOM 1446 CA THR A 92 24.220 28.735 50.088 1.00 0.00 C +ATOM 1447 C THR A 92 25.184 29.214 51.175 1.00 0.00 C +ATOM 1448 O THR A 92 25.743 28.406 51.914 1.00 0.00 O +ATOM 1449 CB THR A 92 22.854 28.311 50.631 1.00 0.00 C +ATOM 1450 OG1 THR A 92 22.525 29.326 51.575 1.00 0.00 O +ATOM 1451 CG2 THR A 92 22.928 27.033 51.468 1.00 0.00 C +ATOM 1452 H THR A 92 24.660 26.718 49.810 1.00 0.00 H +ATOM 1453 HA THR A 92 24.093 29.560 49.387 1.00 0.00 H +ATOM 1454 HB THR A 92 22.129 28.206 49.823 1.00 0.00 H +ATOM 1455 HG1 THR A 92 23.111 29.246 52.382 1.00 0.00 H +ATOM 1456 HG21 THR A 92 23.006 26.169 50.807 1.00 0.00 H +ATOM 1457 HG22 THR A 92 23.802 27.074 52.118 1.00 0.00 H +ATOM 1458 HG23 THR A 92 22.027 26.944 52.076 1.00 0.00 H +ATOM 1459 N GLY A 93 25.348 30.528 51.238 1.00 0.00 N +ATOM 1460 CA GLY A 93 26.235 31.124 52.222 1.00 0.00 C +ATOM 1461 C GLY A 93 27.174 32.141 51.570 1.00 0.00 C +ATOM 1462 O GLY A 93 27.170 33.317 51.932 1.00 0.00 O +ATOM 1463 H GLY A 93 24.890 31.178 50.633 1.00 0.00 H +ATOM 1464 HA2 GLY A 93 25.646 31.614 52.998 1.00 0.00 H +ATOM 1465 HA3 GLY A 93 26.820 30.345 52.710 1.00 0.00 H +TER 1466 GLY A 93 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_FS_XCL1_1J8IA_2JP1A/state_b.pdb b/bench/main_benchmark/structures/SFB_FS_XCL1_1J8IA_2JP1A/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a902293417746ef7553534943b45008c569f6f11 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_FS_XCL1_1J8IA_2JP1A/state_b.pdb @@ -0,0 +1,965 @@ +MODEL 1 +ATOM 1 N VAL A 1 -0.513 -10.640 16.821 1.00 3.00 N +ATOM 2 CA VAL A 1 -0.093 -9.547 17.706 1.00 12.15 C +ATOM 3 C VAL A 1 0.042 -10.055 19.130 1.00 74.11 C +ATOM 4 O VAL A 1 -0.023 -11.264 19.368 1.00 63.14 O +ATOM 5 CB VAL A 1 -1.072 -8.334 17.658 1.00 22.12 C +ATOM 6 CG1 VAL A 1 -1.093 -7.714 16.270 1.00 34.42 C +ATOM 7 CG2 VAL A 1 -2.481 -8.741 18.084 1.00 33.35 C +ATOM 8 H1 VAL A 1 0.177 -11.415 16.852 1.00 37.45 H +ATOM 9 H2 VAL A 1 -0.614 -10.331 15.836 1.00 37.45 H +ATOM 10 H3 VAL A 1 -1.428 -11.022 17.131 1.00 37.45 H +ATOM 11 HA VAL A 1 0.884 -9.230 17.370 1.00 3.01 H +ATOM 12 HB VAL A 1 -0.707 -7.586 18.345 1.00 21.30 H +ATOM 13 HG11 VAL A 1 -0.104 -7.365 16.016 1.00 37.45 H +ATOM 14 HG12 VAL A 1 -1.782 -6.881 16.258 1.00 37.45 H +ATOM 15 HG13 VAL A 1 -1.412 -8.453 15.550 1.00 37.45 H +ATOM 16 HG21 VAL A 1 -2.454 -9.126 19.092 1.00 37.45 H +ATOM 17 HG22 VAL A 1 -2.854 -9.503 17.417 1.00 37.45 H +ATOM 18 HG23 VAL A 1 -3.132 -7.880 18.043 1.00 37.45 H +ATOM 19 N GLY A 2 0.242 -9.153 20.069 1.00 30.34 N +ATOM 20 CA GLY A 2 0.418 -9.543 21.450 1.00 65.01 C +ATOM 21 C GLY A 2 1.881 -9.707 21.755 1.00 2.53 C +ATOM 22 O GLY A 2 2.274 -10.598 22.518 1.00 50.44 O +ATOM 23 H GLY A 2 0.277 -8.201 19.833 1.00 53.30 H +ATOM 24 HA2 GLY A 2 -0.014 -8.786 22.085 1.00 37.45 H +ATOM 25 HA3 GLY A 2 -0.086 -10.483 21.617 1.00 37.45 H +ATOM 26 N SER A 3 2.675 -8.842 21.141 1.00 1.25 N +ATOM 27 CA SER A 3 4.119 -8.861 21.210 1.00 62.12 C +ATOM 28 C SER A 3 4.675 -10.018 20.370 1.00 44.20 C +ATOM 29 O SER A 3 4.831 -11.157 20.844 1.00 54.15 O +ATOM 30 CB SER A 3 4.658 -8.859 22.673 1.00 13.03 C +ATOM 31 OG SER A 3 6.088 -8.804 22.730 1.00 51.25 O +ATOM 32 H SER A 3 2.258 -8.142 20.598 1.00 45.05 H +ATOM 33 HA SER A 3 4.431 -7.953 20.716 1.00 65.33 H +ATOM 34 HB2 SER A 3 4.258 -8.007 23.200 1.00 37.45 H +ATOM 35 HB3 SER A 3 4.324 -9.760 23.165 1.00 37.45 H +ATOM 36 HG SER A 3 6.351 -9.611 23.193 1.00 50.55 H +ATOM 37 N GLU A 4 4.887 -9.740 19.100 1.00 60.43 N +ATOM 38 CA GLU A 4 5.463 -10.692 18.189 1.00 1.12 C +ATOM 39 C GLU A 4 6.593 -10.029 17.449 1.00 12.42 C +ATOM 40 O GLU A 4 6.390 -9.020 16.768 1.00 12.23 O +ATOM 41 CB GLU A 4 4.426 -11.233 17.185 1.00 12.35 C +ATOM 42 CG GLU A 4 4.997 -12.311 16.260 1.00 41.51 C +ATOM 43 CD GLU A 4 3.999 -12.854 15.265 1.00 62.34 C +ATOM 44 OE1 GLU A 4 3.021 -13.490 15.684 1.00 34.23 O +ATOM 45 OE2 GLU A 4 4.215 -12.707 14.043 1.00 13.24 O +ATOM 46 H GLU A 4 4.650 -8.852 18.753 1.00 34.42 H +ATOM 47 HA GLU A 4 5.856 -11.510 18.772 1.00 3.42 H +ATOM 48 HB2 GLU A 4 3.595 -11.654 17.731 1.00 37.45 H +ATOM 49 HB3 GLU A 4 4.073 -10.416 16.574 1.00 37.45 H +ATOM 50 HG2 GLU A 4 5.826 -11.889 15.712 1.00 37.45 H +ATOM 51 HG3 GLU A 4 5.358 -13.125 16.872 1.00 37.45 H +ATOM 52 N VAL A 5 7.770 -10.553 17.603 1.00 33.35 N +ATOM 53 CA VAL A 5 8.918 -10.019 16.935 1.00 1.13 C +ATOM 54 C VAL A 5 9.525 -11.034 15.983 1.00 63.24 C +ATOM 55 O VAL A 5 10.355 -11.871 16.359 1.00 63.23 O +ATOM 56 CB VAL A 5 9.979 -9.426 17.914 1.00 34.23 C +ATOM 57 CG1 VAL A 5 9.435 -8.176 18.579 1.00 11.10 C +ATOM 58 CG2 VAL A 5 10.363 -10.440 18.987 1.00 1.43 C +ATOM 59 H VAL A 5 7.880 -11.342 18.180 1.00 34.23 H +ATOM 60 HA VAL A 5 8.541 -9.213 16.319 1.00 14.04 H +ATOM 61 HB VAL A 5 10.864 -9.163 17.351 1.00 42.34 H +ATOM 62 HG11 VAL A 5 9.207 -7.433 17.829 1.00 37.45 H +ATOM 63 HG12 VAL A 5 10.180 -7.789 19.258 1.00 37.45 H +ATOM 64 HG13 VAL A 5 8.539 -8.424 19.130 1.00 37.45 H +ATOM 65 HG21 VAL A 5 9.483 -10.714 19.549 1.00 37.45 H +ATOM 66 HG22 VAL A 5 11.091 -10.001 19.650 1.00 37.45 H +ATOM 67 HG23 VAL A 5 10.779 -11.321 18.522 1.00 37.45 H +ATOM 68 N SER A 6 9.076 -10.997 14.765 1.00 4.43 N +ATOM 69 CA SER A 6 9.568 -11.899 13.775 1.00 32.41 C +ATOM 70 C SER A 6 10.729 -11.256 13.070 1.00 21.41 C +ATOM 71 O SER A 6 10.869 -10.037 13.081 1.00 70.30 O +ATOM 72 CB SER A 6 8.466 -12.243 12.763 1.00 41.51 C +ATOM 73 OG SER A 6 8.922 -13.210 11.810 1.00 1.11 O +ATOM 74 H SER A 6 8.396 -10.336 14.505 1.00 13.00 H +ATOM 75 HA SER A 6 9.895 -12.806 14.262 1.00 55.51 H +ATOM 76 HB2 SER A 6 7.608 -12.630 13.288 1.00 37.45 H +ATOM 77 HB3 SER A 6 8.180 -11.346 12.236 1.00 37.45 H +ATOM 78 HG SER A 6 8.563 -14.059 12.099 1.00 72.02 H +ATOM 79 N ASP A 7 11.574 -12.053 12.506 1.00 72.34 N +ATOM 80 CA ASP A 7 12.660 -11.538 11.719 1.00 22.32 C +ATOM 81 C ASP A 7 12.357 -11.708 10.271 1.00 31.35 C +ATOM 82 O ASP A 7 13.070 -11.222 9.427 1.00 13.22 O +ATOM 83 CB ASP A 7 13.995 -12.193 12.075 1.00 72.22 C +ATOM 84 CG ASP A 7 14.510 -11.788 13.434 1.00 42.32 C +ATOM 85 OD1 ASP A 7 14.056 -12.345 14.449 1.00 73.21 O +ATOM 86 OD2 ASP A 7 15.408 -10.918 13.505 1.00 71.32 O +ATOM 87 H ASP A 7 11.467 -13.023 12.622 1.00 74.32 H +ATOM 88 HA ASP A 7 12.725 -10.480 11.929 1.00 14.00 H +ATOM 89 HB2 ASP A 7 13.881 -13.265 12.063 1.00 37.45 H +ATOM 90 HB3 ASP A 7 14.729 -11.910 11.334 1.00 37.45 H +ATOM 91 N LYS A 8 11.271 -12.398 9.983 1.00 2.34 N +ATOM 92 CA LYS A 8 10.877 -12.636 8.617 1.00 74.32 C +ATOM 93 C LYS A 8 9.919 -11.550 8.170 1.00 23.23 C +ATOM 94 O LYS A 8 10.306 -10.615 7.479 1.00 44.41 O +ATOM 95 CB LYS A 8 10.211 -14.009 8.470 1.00 63.51 C +ATOM 96 CG LYS A 8 11.058 -15.182 8.924 1.00 64.24 C +ATOM 97 CD LYS A 8 10.289 -16.482 8.783 1.00 4.43 C +ATOM 98 CE LYS A 8 11.083 -17.666 9.300 1.00 1.23 C +ATOM 99 NZ LYS A 8 10.319 -18.929 9.188 1.00 3.11 N +ATOM 100 H LYS A 8 10.705 -12.739 10.709 1.00 42.20 H +ATOM 101 HA LYS A 8 11.748 -12.597 7.980 1.00 0.54 H +ATOM 102 HB2 LYS A 8 9.309 -14.017 9.063 1.00 37.45 H +ATOM 103 HB3 LYS A 8 9.945 -14.163 7.436 1.00 37.45 H +ATOM 104 HG2 LYS A 8 11.951 -15.229 8.316 1.00 37.45 H +ATOM 105 HG3 LYS A 8 11.330 -15.043 9.960 1.00 37.45 H +ATOM 106 HD2 LYS A 8 9.370 -16.404 9.342 1.00 37.45 H +ATOM 107 HD3 LYS A 8 10.057 -16.639 7.738 1.00 37.45 H +ATOM 108 HE2 LYS A 8 11.995 -17.745 8.729 1.00 37.45 H +ATOM 109 HE3 LYS A 8 11.327 -17.491 10.337 1.00 37.45 H +ATOM 110 HZ1 LYS A 8 10.059 -19.124 8.199 1.00 37.45 H +ATOM 111 HZ2 LYS A 8 9.441 -18.866 9.743 1.00 37.45 H +ATOM 112 HZ3 LYS A 8 10.868 -19.732 9.555 1.00 37.45 H +ATOM 113 N ARG A 9 8.677 -11.660 8.604 1.00 10.13 N +ATOM 114 CA ARG A 9 7.643 -10.715 8.243 1.00 51.22 C +ATOM 115 C ARG A 9 6.755 -10.514 9.423 1.00 14.44 C +ATOM 116 O ARG A 9 6.152 -11.473 9.925 1.00 35.22 O +ATOM 117 CB ARG A 9 6.763 -11.270 7.143 1.00 14.21 C +ATOM 118 CG ARG A 9 7.487 -11.728 5.896 1.00 45.45 C +ATOM 119 CD ARG A 9 6.529 -12.450 4.982 1.00 13.12 C +ATOM 120 NE ARG A 9 7.149 -12.842 3.726 1.00 5.14 N +ATOM 121 CZ ARG A 9 7.568 -14.065 3.417 1.00 4.51 C +ATOM 122 NH1 ARG A 9 7.570 -15.035 4.331 1.00 33.42 N +ATOM 123 NH2 ARG A 9 7.996 -14.312 2.195 1.00 74.24 N +ATOM 124 H ARG A 9 8.424 -12.400 9.200 1.00 41.14 H +ATOM 125 HA ARG A 9 8.080 -9.785 7.913 1.00 13.24 H +ATOM 126 HB2 ARG A 9 6.138 -12.053 7.542 1.00 37.45 H +ATOM 127 HB3 ARG A 9 6.135 -10.430 6.868 1.00 37.45 H +ATOM 128 HG2 ARG A 9 7.900 -10.868 5.388 1.00 37.45 H +ATOM 129 HG3 ARG A 9 8.285 -12.399 6.181 1.00 37.45 H +ATOM 130 HD2 ARG A 9 6.159 -13.331 5.481 1.00 37.45 H +ATOM 131 HD3 ARG A 9 5.700 -11.791 4.769 1.00 37.45 H +ATOM 132 HE ARG A 9 7.192 -12.116 3.049 1.00 12.33 H +ATOM 133 HH11 ARG A 9 7.260 -14.879 5.272 1.00 37.45 H +ATOM 134 HH12 ARG A 9 7.878 -15.963 4.120 1.00 37.45 H +ATOM 135 HH21 ARG A 9 8.010 -13.590 1.501 1.00 37.45 H +ATOM 136 HH22 ARG A 9 8.320 -15.210 1.886 1.00 37.45 H +ATOM 137 N THR A 10 6.678 -9.337 9.894 1.00 71.15 N +ATOM 138 CA THR A 10 5.796 -9.072 10.968 1.00 5.55 C +ATOM 139 C THR A 10 4.617 -8.218 10.466 1.00 13.41 C +ATOM 140 O THR A 10 4.787 -7.386 9.562 1.00 32.24 O +ATOM 141 CB THR A 10 6.532 -8.366 12.122 1.00 71.13 C +ATOM 142 OG1 THR A 10 7.726 -9.109 12.453 1.00 63.40 O +ATOM 143 CG2 THR A 10 5.646 -8.335 13.339 1.00 12.22 C +ATOM 144 H THR A 10 7.208 -8.607 9.515 1.00 15.20 H +ATOM 145 HA THR A 10 5.418 -10.019 11.321 1.00 23.15 H +ATOM 146 HB THR A 10 6.782 -7.358 11.833 1.00 65.45 H +ATOM 147 HG1 THR A 10 8.506 -8.631 12.140 1.00 0.04 H +ATOM 148 HG21 THR A 10 6.137 -7.827 14.155 1.00 37.45 H +ATOM 149 HG22 THR A 10 5.429 -9.359 13.602 1.00 37.45 H +ATOM 150 HG23 THR A 10 4.729 -7.838 13.059 1.00 37.45 H +ATOM 151 N CYS A 11 3.441 -8.455 10.994 1.00 71.31 N +ATOM 152 CA CYS A 11 2.301 -7.622 10.710 1.00 12.20 C +ATOM 153 C CYS A 11 1.800 -7.078 12.025 1.00 74.34 C +ATOM 154 O CYS A 11 1.955 -7.730 13.064 1.00 74.51 O +ATOM 155 CB CYS A 11 1.158 -8.401 10.031 1.00 2.14 C +ATOM 156 SG CYS A 11 1.545 -9.181 8.433 1.00 50.40 S +ATOM 157 H CYS A 11 3.298 -9.204 11.613 1.00 11.54 H +ATOM 158 HA CYS A 11 2.627 -6.807 10.074 1.00 43.44 H +ATOM 159 HB2 CYS A 11 0.767 -9.163 10.684 1.00 37.45 H +ATOM 160 HB3 CYS A 11 0.358 -7.696 9.853 1.00 37.45 H +ATOM 161 N VAL A 12 1.235 -5.904 12.012 1.00 11.15 N +ATOM 162 CA VAL A 12 0.702 -5.306 13.238 1.00 10.14 C +ATOM 163 C VAL A 12 -0.614 -4.585 12.965 1.00 34.40 C +ATOM 164 O VAL A 12 -0.770 -3.947 11.927 1.00 61.44 O +ATOM 165 CB VAL A 12 1.707 -4.286 13.899 1.00 72.04 C +ATOM 166 CG1 VAL A 12 1.123 -3.703 15.178 1.00 40.13 C +ATOM 167 CG2 VAL A 12 3.060 -4.928 14.194 1.00 21.41 C +ATOM 168 H VAL A 12 1.192 -5.432 11.147 1.00 33.12 H +ATOM 169 HA VAL A 12 0.502 -6.100 13.941 1.00 71.14 H +ATOM 170 HB VAL A 12 1.853 -3.473 13.203 1.00 63.32 H +ATOM 171 HG11 VAL A 12 0.949 -4.492 15.896 1.00 37.45 H +ATOM 172 HG12 VAL A 12 0.186 -3.216 14.952 1.00 37.45 H +ATOM 173 HG13 VAL A 12 1.808 -2.981 15.590 1.00 37.45 H +ATOM 174 HG21 VAL A 12 2.919 -5.753 14.876 1.00 37.45 H +ATOM 175 HG22 VAL A 12 3.719 -4.198 14.639 1.00 37.45 H +ATOM 176 HG23 VAL A 12 3.492 -5.292 13.275 1.00 37.45 H +ATOM 177 N SER A 13 -1.552 -4.727 13.873 1.00 70.14 N +ATOM 178 CA SER A 13 -2.783 -3.997 13.843 1.00 14.43 C +ATOM 179 C SER A 13 -2.814 -3.010 14.980 1.00 73.03 C +ATOM 180 O SER A 13 -2.502 -3.353 16.126 1.00 40.05 O +ATOM 181 CB SER A 13 -3.980 -4.950 13.940 1.00 44.21 C +ATOM 182 OG SER A 13 -3.771 -5.917 14.976 1.00 63.10 O +ATOM 183 H SER A 13 -1.448 -5.342 14.629 1.00 41.04 H +ATOM 184 HA SER A 13 -2.842 -3.459 12.908 1.00 55.34 H +ATOM 185 HB2 SER A 13 -4.858 -4.370 14.200 1.00 37.45 H +ATOM 186 HB3 SER A 13 -4.125 -5.459 13.000 1.00 37.45 H +ATOM 187 HG SER A 13 -4.494 -5.902 15.618 1.00 53.33 H +ATOM 188 N LEU A 14 -3.142 -1.806 14.678 1.00 42.22 N +ATOM 189 CA LEU A 14 -3.319 -0.813 15.683 1.00 11.01 C +ATOM 190 C LEU A 14 -4.742 -0.306 15.603 1.00 60.54 C +ATOM 191 O LEU A 14 -5.284 -0.091 14.500 1.00 30.10 O +ATOM 192 CB LEU A 14 -2.222 0.295 15.594 1.00 23.04 C +ATOM 193 CG LEU A 14 -2.086 1.070 14.286 1.00 55.55 C +ATOM 194 CD1 LEU A 14 -3.184 2.095 14.142 1.00 0.35 C +ATOM 195 CD2 LEU A 14 -0.715 1.706 14.174 1.00 21.20 C +ATOM 196 H LEU A 14 -3.273 -1.568 13.731 1.00 65.14 H +ATOM 197 HA LEU A 14 -3.227 -1.333 16.625 1.00 44.24 H +ATOM 198 HB2 LEU A 14 -2.429 1.038 16.352 1.00 37.45 H +ATOM 199 HB3 LEU A 14 -1.264 -0.152 15.818 1.00 37.45 H +ATOM 200 HG LEU A 14 -2.199 0.368 13.473 1.00 45.40 H +ATOM 201 HD11 LEU A 14 -3.128 2.799 14.959 1.00 37.45 H +ATOM 202 HD12 LEU A 14 -4.145 1.600 14.165 1.00 37.45 H +ATOM 203 HD13 LEU A 14 -3.080 2.624 13.209 1.00 37.45 H +ATOM 204 HD21 LEU A 14 -0.648 2.259 13.250 1.00 37.45 H +ATOM 205 HD22 LEU A 14 0.043 0.937 14.189 1.00 37.45 H +ATOM 206 HD23 LEU A 14 -0.562 2.379 15.006 1.00 37.45 H +ATOM 207 N THR A 15 -5.355 -0.159 16.722 1.00 75.44 N +ATOM 208 CA THR A 15 -6.732 0.203 16.773 1.00 10.43 C +ATOM 209 C THR A 15 -6.851 1.662 17.247 1.00 42.40 C +ATOM 210 O THR A 15 -6.381 2.012 18.332 1.00 2.41 O +ATOM 211 CB THR A 15 -7.466 -0.761 17.722 1.00 41.35 C +ATOM 212 OG1 THR A 15 -7.038 -2.113 17.416 1.00 21.43 O +ATOM 213 CG2 THR A 15 -8.947 -0.705 17.472 1.00 44.05 C +ATOM 214 H THR A 15 -4.869 -0.280 17.567 1.00 12.01 H +ATOM 215 HA THR A 15 -7.146 0.109 15.781 1.00 13.55 H +ATOM 216 HB THR A 15 -7.255 -0.510 18.750 1.00 34.10 H +ATOM 217 HG1 THR A 15 -6.074 -2.153 17.501 1.00 74.54 H +ATOM 218 HG21 THR A 15 -9.079 -1.004 16.442 1.00 37.45 H +ATOM 219 HG22 THR A 15 -9.325 0.294 17.621 1.00 37.45 H +ATOM 220 HG23 THR A 15 -9.444 -1.414 18.118 1.00 37.45 H +ATOM 221 N THR A 16 -7.450 2.498 16.424 1.00 54.43 N +ATOM 222 CA THR A 16 -7.525 3.928 16.682 1.00 31.51 C +ATOM 223 C THR A 16 -8.949 4.443 16.492 1.00 13.23 C +ATOM 224 O THR A 16 -9.884 3.640 16.388 1.00 51.23 O +ATOM 225 CB THR A 16 -6.577 4.668 15.717 1.00 54.04 C +ATOM 226 OG1 THR A 16 -6.803 4.210 14.366 1.00 11.12 O +ATOM 227 CG2 THR A 16 -5.135 4.431 16.084 1.00 22.53 C +ATOM 228 H THR A 16 -7.892 2.157 15.618 1.00 65.44 H +ATOM 229 HA THR A 16 -7.187 4.101 17.692 1.00 3.45 H +ATOM 230 HB THR A 16 -6.794 5.725 15.777 1.00 13.10 H +ATOM 231 HG1 THR A 16 -6.209 3.465 14.240 1.00 30.40 H +ATOM 232 HG21 THR A 16 -4.970 3.364 16.043 1.00 37.45 H +ATOM 233 HG22 THR A 16 -4.947 4.791 17.083 1.00 37.45 H +ATOM 234 HG23 THR A 16 -4.501 4.932 15.368 1.00 37.45 H +ATOM 235 N GLN A 17 -9.128 5.775 16.479 1.00 13.04 N +ATOM 236 CA GLN A 17 -10.429 6.349 16.195 1.00 31.51 C +ATOM 237 C GLN A 17 -10.738 6.109 14.735 1.00 73.51 C +ATOM 238 O GLN A 17 -10.171 6.741 13.813 1.00 51.14 O +ATOM 239 CB GLN A 17 -10.512 7.840 16.580 1.00 32.23 C +ATOM 240 CG GLN A 17 -9.474 8.737 15.934 1.00 33.12 C +ATOM 241 CD GLN A 17 -9.572 10.154 16.415 1.00 41.22 C +ATOM 242 OE1 GLN A 17 -8.938 10.534 17.396 1.00 60.23 O +ATOM 243 NE2 GLN A 17 -10.376 10.935 15.756 1.00 60.42 N +ATOM 244 H GLN A 17 -8.374 6.379 16.651 1.00 34.10 H +ATOM 245 HA GLN A 17 -11.143 5.778 16.770 1.00 45.21 H +ATOM 246 HB2 GLN A 17 -11.483 8.200 16.272 1.00 37.45 H +ATOM 247 HB3 GLN A 17 -10.440 7.944 17.651 1.00 37.45 H +ATOM 248 HG2 GLN A 17 -8.491 8.360 16.177 1.00 37.45 H +ATOM 249 HG3 GLN A 17 -9.614 8.720 14.863 1.00 37.45 H +ATOM 250 HE21 GLN A 17 -10.875 10.574 14.996 1.00 37.45 H +ATOM 251 HE22 GLN A 17 -10.458 11.868 16.049 1.00 37.45 H +ATOM 252 N ARG A 18 -11.581 5.184 14.500 1.00 50.12 N +ATOM 253 CA ARG A 18 -11.805 4.732 13.190 1.00 24.10 C +ATOM 254 C ARG A 18 -13.223 4.770 12.750 1.00 43.23 C +ATOM 255 O ARG A 18 -14.151 4.675 13.544 1.00 24.41 O +ATOM 256 CB ARG A 18 -11.199 3.369 13.011 1.00 12.34 C +ATOM 257 CG ARG A 18 -9.690 3.347 12.975 1.00 34.35 C +ATOM 258 CD ARG A 18 -9.145 3.858 11.647 1.00 22.02 C +ATOM 259 NE ARG A 18 -9.564 5.230 11.342 1.00 22.32 N +ATOM 260 CZ ARG A 18 -10.042 5.632 10.158 1.00 61.14 C +ATOM 261 NH1 ARG A 18 -10.251 4.740 9.175 1.00 32.32 N +ATOM 262 NH2 ARG A 18 -10.346 6.919 9.969 1.00 24.23 N +ATOM 263 H ARG A 18 -12.086 4.757 15.227 1.00 24.30 H +ATOM 264 HA ARG A 18 -11.250 5.393 12.544 1.00 72.25 H +ATOM 265 HB2 ARG A 18 -11.476 2.768 13.859 1.00 37.45 H +ATOM 266 HB3 ARG A 18 -11.568 2.973 12.078 1.00 37.45 H +ATOM 267 HG2 ARG A 18 -9.323 3.975 13.775 1.00 37.45 H +ATOM 268 HG3 ARG A 18 -9.375 2.329 13.139 1.00 37.45 H +ATOM 269 HD2 ARG A 18 -8.066 3.833 11.686 1.00 37.45 H +ATOM 270 HD3 ARG A 18 -9.488 3.200 10.863 1.00 37.45 H +ATOM 271 HE ARG A 18 -9.440 5.839 12.111 1.00 41.35 H +ATOM 272 HH11 ARG A 18 -10.056 3.761 9.300 1.00 37.45 H +ATOM 273 HH12 ARG A 18 -10.608 4.977 8.269 1.00 37.45 H +ATOM 274 HH21 ARG A 18 -10.223 7.599 10.695 1.00 37.45 H +ATOM 275 HH22 ARG A 18 -10.705 7.266 9.099 1.00 37.45 H +ATOM 276 N LEU A 19 -13.364 4.968 11.479 1.00 4.33 N +ATOM 277 CA LEU A 19 -14.617 4.961 10.817 1.00 75.33 C +ATOM 278 C LEU A 19 -14.759 3.620 10.111 1.00 41.44 C +ATOM 279 O LEU A 19 -13.745 3.020 9.721 1.00 11.11 O +ATOM 280 CB LEU A 19 -14.710 6.183 9.850 1.00 12.20 C +ATOM 281 CG LEU A 19 -13.570 6.384 8.806 1.00 12.13 C +ATOM 282 CD1 LEU A 19 -13.601 5.372 7.667 1.00 54.11 C +ATOM 283 CD2 LEU A 19 -13.571 7.795 8.271 1.00 63.54 C +ATOM 284 H LEU A 19 -12.573 5.094 10.921 1.00 13.22 H +ATOM 285 HA LEU A 19 -15.387 5.040 11.570 1.00 50.43 H +ATOM 286 HB2 LEU A 19 -15.636 6.101 9.301 1.00 37.45 H +ATOM 287 HB3 LEU A 19 -14.764 7.074 10.458 1.00 37.45 H +ATOM 288 HG LEU A 19 -12.632 6.232 9.320 1.00 14.34 H +ATOM 289 HD11 LEU A 19 -13.500 4.376 8.073 1.00 37.45 H +ATOM 290 HD12 LEU A 19 -12.777 5.570 6.999 1.00 37.45 H +ATOM 291 HD13 LEU A 19 -14.533 5.455 7.128 1.00 37.45 H +ATOM 292 HD21 LEU A 19 -14.524 8.029 7.822 1.00 37.45 H +ATOM 293 HD22 LEU A 19 -12.787 7.877 7.532 1.00 37.45 H +ATOM 294 HD23 LEU A 19 -13.356 8.480 9.081 1.00 37.45 H +ATOM 295 N PRO A 20 -15.969 3.106 9.982 1.00 52.23 N +ATOM 296 CA PRO A 20 -16.196 1.828 9.344 1.00 40.42 C +ATOM 297 C PRO A 20 -16.049 1.898 7.835 1.00 5.43 C +ATOM 298 O PRO A 20 -16.393 2.895 7.202 1.00 31.00 O +ATOM 299 CB PRO A 20 -17.631 1.487 9.723 1.00 75.31 C +ATOM 300 CG PRO A 20 -18.282 2.804 9.928 1.00 51.21 C +ATOM 301 CD PRO A 20 -17.216 3.716 10.458 1.00 65.23 C +ATOM 302 HA PRO A 20 -15.531 1.071 9.728 1.00 52.32 H +ATOM 303 HB2 PRO A 20 -18.091 0.933 8.918 1.00 37.45 H +ATOM 304 HB3 PRO A 20 -17.640 0.895 10.626 1.00 37.45 H +ATOM 305 HG2 PRO A 20 -18.651 3.177 8.983 1.00 37.45 H +ATOM 306 HG3 PRO A 20 -19.090 2.716 10.639 1.00 37.45 H +ATOM 307 HD2 PRO A 20 -17.324 4.711 10.058 1.00 37.45 H +ATOM 308 HD3 PRO A 20 -17.238 3.719 11.537 1.00 37.45 H +ATOM 309 N VAL A 21 -15.525 0.857 7.283 1.00 72.53 N +ATOM 310 CA VAL A 21 -15.385 0.726 5.862 1.00 74.12 C +ATOM 311 C VAL A 21 -15.920 -0.647 5.460 1.00 13.40 C +ATOM 312 O VAL A 21 -15.730 -1.625 6.195 1.00 64.40 O +ATOM 313 CB VAL A 21 -13.903 0.943 5.387 1.00 44.14 C +ATOM 314 CG1 VAL A 21 -12.944 -0.076 5.993 1.00 63.51 C +ATOM 315 CG2 VAL A 21 -13.799 0.959 3.864 1.00 63.32 C +ATOM 316 H VAL A 21 -15.228 0.127 7.863 1.00 75.34 H +ATOM 317 HA VAL A 21 -16.022 1.473 5.413 1.00 33.14 H +ATOM 318 HB VAL A 21 -13.599 1.913 5.753 1.00 10.33 H +ATOM 319 HG11 VAL A 21 -12.969 0.000 7.070 1.00 37.45 H +ATOM 320 HG12 VAL A 21 -11.941 0.114 5.641 1.00 37.45 H +ATOM 321 HG13 VAL A 21 -13.248 -1.070 5.697 1.00 37.45 H +ATOM 322 HG21 VAL A 21 -12.770 1.105 3.573 1.00 37.45 H +ATOM 323 HG22 VAL A 21 -14.404 1.763 3.469 1.00 37.45 H +ATOM 324 HG23 VAL A 21 -14.153 0.016 3.474 1.00 37.45 H +ATOM 325 N SER A 22 -16.622 -0.706 4.346 1.00 64.11 N +ATOM 326 CA SER A 22 -17.237 -1.934 3.873 1.00 53.35 C +ATOM 327 C SER A 22 -16.218 -3.056 3.647 1.00 52.34 C +ATOM 328 O SER A 22 -16.294 -4.119 4.284 1.00 42.23 O +ATOM 329 CB SER A 22 -18.056 -1.641 2.613 1.00 54.41 C +ATOM 330 OG SER A 22 -17.282 -0.905 1.664 1.00 15.45 O +ATOM 331 H SER A 22 -16.740 0.106 3.811 1.00 65.02 H +ATOM 332 HA SER A 22 -17.917 -2.262 4.645 1.00 34.13 H +ATOM 333 HB2 SER A 22 -18.364 -2.573 2.162 1.00 37.45 H +ATOM 334 HB3 SER A 22 -18.928 -1.062 2.877 1.00 37.45 H +ATOM 335 HG SER A 22 -17.550 0.019 1.739 1.00 72.20 H +ATOM 336 N ARG A 23 -15.271 -2.821 2.777 1.00 51.34 N +ATOM 337 CA ARG A 23 -14.281 -3.807 2.472 1.00 61.41 C +ATOM 338 C ARG A 23 -12.893 -3.363 2.871 1.00 52.02 C +ATOM 339 O ARG A 23 -12.663 -2.186 3.172 1.00 62.10 O +ATOM 340 CB ARG A 23 -14.358 -4.247 1.025 1.00 0.05 C +ATOM 341 CG ARG A 23 -15.667 -4.954 0.719 1.00 14.24 C +ATOM 342 CD ARG A 23 -15.693 -5.514 -0.668 1.00 73.24 C +ATOM 343 NE ARG A 23 -15.600 -4.478 -1.701 1.00 53.34 N +ATOM 344 CZ ARG A 23 -15.561 -4.717 -3.016 1.00 31.33 C +ATOM 345 NH1 ARG A 23 -15.652 -5.958 -3.473 1.00 22.34 N +ATOM 346 NH2 ARG A 23 -15.448 -3.716 -3.874 1.00 32.31 N +ATOM 347 H ARG A 23 -15.221 -1.951 2.327 1.00 30.44 H +ATOM 348 HA ARG A 23 -14.532 -4.665 3.082 1.00 24.31 H +ATOM 349 HB2 ARG A 23 -14.272 -3.382 0.386 1.00 37.45 H +ATOM 350 HB3 ARG A 23 -13.547 -4.929 0.817 1.00 37.45 H +ATOM 351 HG2 ARG A 23 -15.800 -5.763 1.421 1.00 37.45 H +ATOM 352 HG3 ARG A 23 -16.472 -4.245 0.833 1.00 37.45 H +ATOM 353 HD2 ARG A 23 -14.830 -6.161 -0.726 1.00 37.45 H +ATOM 354 HD3 ARG A 23 -16.598 -6.090 -0.788 1.00 37.45 H +ATOM 355 HE ARG A 23 -15.565 -3.554 -1.357 1.00 1.42 H +ATOM 356 HH11 ARG A 23 -15.756 -6.759 -2.878 1.00 37.45 H +ATOM 357 HH12 ARG A 23 -15.631 -6.145 -4.460 1.00 37.45 H +ATOM 358 HH21 ARG A 23 -15.388 -2.755 -3.591 1.00 37.45 H +ATOM 359 HH22 ARG A 23 -15.426 -3.892 -4.863 1.00 37.45 H +ATOM 360 N ILE A 24 -11.979 -4.291 2.875 1.00 41.33 N +ATOM 361 CA ILE A 24 -10.641 -4.059 3.354 1.00 20.11 C +ATOM 362 C ILE A 24 -9.780 -3.578 2.220 1.00 4.12 C +ATOM 363 O ILE A 24 -9.695 -4.237 1.179 1.00 41.10 O +ATOM 364 CB ILE A 24 -10.023 -5.368 3.938 1.00 12.55 C +ATOM 365 CG1 ILE A 24 -10.914 -5.952 5.053 1.00 10.11 C +ATOM 366 CG2 ILE A 24 -8.598 -5.139 4.449 1.00 71.32 C +ATOM 367 CD1 ILE A 24 -11.172 -5.008 6.206 1.00 12.24 C +ATOM 368 H ILE A 24 -12.188 -5.164 2.494 1.00 54.33 H +ATOM 369 HA ILE A 24 -10.668 -3.314 4.135 1.00 45.15 H +ATOM 370 HB ILE A 24 -9.967 -6.087 3.132 1.00 43.02 H +ATOM 371 HG12 ILE A 24 -11.874 -6.218 4.636 1.00 37.45 H +ATOM 372 HG13 ILE A 24 -10.442 -6.841 5.447 1.00 37.45 H +ATOM 373 HG21 ILE A 24 -8.201 -6.061 4.846 1.00 37.45 H +ATOM 374 HG22 ILE A 24 -8.610 -4.390 5.226 1.00 37.45 H +ATOM 375 HG23 ILE A 24 -7.974 -4.798 3.635 1.00 37.45 H +ATOM 376 HD11 ILE A 24 -11.695 -4.135 5.847 1.00 37.45 H +ATOM 377 HD12 ILE A 24 -10.232 -4.711 6.644 1.00 37.45 H +ATOM 378 HD13 ILE A 24 -11.774 -5.506 6.952 1.00 37.45 H +ATOM 379 N LYS A 25 -9.146 -2.452 2.398 1.00 13.12 N +ATOM 380 CA LYS A 25 -8.290 -1.941 1.363 1.00 45.01 C +ATOM 381 C LYS A 25 -6.893 -2.475 1.550 1.00 34.54 C +ATOM 382 O LYS A 25 -6.449 -2.681 2.675 1.00 14.02 O +ATOM 383 CB LYS A 25 -8.221 -0.415 1.349 1.00 42.04 C +ATOM 384 CG LYS A 25 -9.531 0.336 1.161 1.00 22.12 C +ATOM 385 CD LYS A 25 -10.310 -0.164 -0.038 1.00 2.25 C +ATOM 386 CE LYS A 25 -11.299 0.890 -0.552 1.00 42.43 C +ATOM 387 NZ LYS A 25 -12.145 1.477 0.510 1.00 71.10 N +ATOM 388 H LYS A 25 -9.262 -1.977 3.249 1.00 33.43 H +ATOM 389 HA LYS A 25 -8.676 -2.286 0.416 1.00 3.24 H +ATOM 390 HB2 LYS A 25 -7.774 -0.078 2.270 1.00 37.45 H +ATOM 391 HB3 LYS A 25 -7.557 -0.140 0.541 1.00 37.45 H +ATOM 392 HG2 LYS A 25 -10.140 0.207 2.043 1.00 37.45 H +ATOM 393 HG3 LYS A 25 -9.318 1.386 1.028 1.00 37.45 H +ATOM 394 HD2 LYS A 25 -9.616 -0.423 -0.823 1.00 37.45 H +ATOM 395 HD3 LYS A 25 -10.859 -1.046 0.270 1.00 37.45 H +ATOM 396 HE2 LYS A 25 -10.741 1.687 -1.018 1.00 37.45 H +ATOM 397 HE3 LYS A 25 -11.933 0.426 -1.293 1.00 37.45 H +ATOM 398 HZ1 LYS A 25 -12.885 2.060 0.069 1.00 37.45 H +ATOM 399 HZ2 LYS A 25 -11.560 2.095 1.119 1.00 37.45 H +ATOM 400 HZ3 LYS A 25 -12.602 0.735 1.074 1.00 37.45 H +ATOM 401 N THR A 26 -6.224 -2.713 0.467 1.00 61.41 N +ATOM 402 CA THR A 26 -4.865 -3.156 0.483 1.00 20.54 C +ATOM 403 C THR A 26 -4.029 -2.140 -0.273 1.00 51.04 C +ATOM 404 O THR A 26 -4.349 -1.782 -1.409 1.00 43.44 O +ATOM 405 CB THR A 26 -4.779 -4.530 -0.205 1.00 34.21 C +ATOM 406 OG1 THR A 26 -5.672 -5.431 0.467 1.00 61.50 O +ATOM 407 CG2 THR A 26 -3.366 -5.093 -0.153 1.00 41.02 C +ATOM 408 H THR A 26 -6.648 -2.590 -0.409 1.00 23.30 H +ATOM 409 HA THR A 26 -4.473 -3.240 1.488 1.00 61.31 H +ATOM 410 HB THR A 26 -5.092 -4.423 -1.233 1.00 41.14 H +ATOM 411 HG1 THR A 26 -5.938 -4.989 1.282 1.00 70.31 H +ATOM 412 HG21 THR A 26 -2.690 -4.413 -0.651 1.00 37.45 H +ATOM 413 HG22 THR A 26 -3.341 -6.053 -0.647 1.00 37.45 H +ATOM 414 HG23 THR A 26 -3.066 -5.213 0.878 1.00 37.45 H +ATOM 415 N TYR A 27 -2.995 -1.668 0.354 1.00 0.04 N +ATOM 416 CA TYR A 27 -2.101 -0.715 -0.238 1.00 40.34 C +ATOM 417 C TYR A 27 -0.713 -1.203 -0.201 1.00 13.44 C +ATOM 418 O TYR A 27 -0.232 -1.637 0.840 1.00 54.41 O +ATOM 419 CB TYR A 27 -2.231 0.664 0.390 1.00 71.12 C +ATOM 420 CG TYR A 27 -3.467 1.375 -0.048 1.00 41.03 C +ATOM 421 CD1 TYR A 27 -4.666 1.231 0.628 1.00 13.33 C +ATOM 422 CD2 TYR A 27 -3.437 2.165 -1.177 1.00 3.24 C +ATOM 423 CE1 TYR A 27 -5.807 1.857 0.181 1.00 73.14 C +ATOM 424 CE2 TYR A 27 -4.563 2.803 -1.629 1.00 12.02 C +ATOM 425 CZ TYR A 27 -5.754 2.640 -0.948 1.00 44.13 C +ATOM 426 OH TYR A 27 -6.900 3.250 -1.412 1.00 55.33 O +ATOM 427 H TYR A 27 -2.819 -1.968 1.276 1.00 34.04 H +ATOM 428 HA TYR A 27 -2.399 -0.642 -1.272 1.00 63.35 H +ATOM 429 HB2 TYR A 27 -2.269 0.569 1.465 1.00 37.45 H +ATOM 430 HB3 TYR A 27 -1.377 1.260 0.106 1.00 37.45 H +ATOM 431 HD1 TYR A 27 -4.697 0.614 1.513 1.00 23.14 H +ATOM 432 HD2 TYR A 27 -2.493 2.281 -1.691 1.00 41.23 H +ATOM 433 HE1 TYR A 27 -6.736 1.737 0.717 1.00 22.23 H +ATOM 434 HE2 TYR A 27 -4.496 3.410 -2.517 1.00 11.15 H +ATOM 435 HH TYR A 27 -7.424 3.579 -0.658 1.00 42.12 H +ATOM 436 N THR A 28 -0.074 -1.159 -1.324 1.00 62.13 N +ATOM 437 CA THR A 28 1.247 -1.687 -1.445 1.00 62.10 C +ATOM 438 C THR A 28 2.274 -0.594 -1.728 1.00 10.43 C +ATOM 439 O THR A 28 2.083 0.255 -2.620 1.00 0.10 O +ATOM 440 CB THR A 28 1.302 -2.758 -2.559 1.00 21.13 C +ATOM 441 OG1 THR A 28 0.854 -2.174 -3.798 1.00 1.02 O +ATOM 442 CG2 THR A 28 0.409 -3.949 -2.227 1.00 63.52 C +ATOM 443 H THR A 28 -0.511 -0.758 -2.109 1.00 44.34 H +ATOM 444 HA THR A 28 1.483 -2.162 -0.504 1.00 15.45 H +ATOM 445 HB THR A 28 2.323 -3.092 -2.674 1.00 62.04 H +ATOM 446 HG1 THR A 28 1.314 -1.330 -3.907 1.00 23.33 H +ATOM 447 HG21 THR A 28 0.445 -4.658 -3.041 1.00 37.45 H +ATOM 448 HG22 THR A 28 -0.608 -3.608 -2.101 1.00 37.45 H +ATOM 449 HG23 THR A 28 0.747 -4.427 -1.322 1.00 37.45 H +ATOM 450 N ILE A 29 3.335 -0.605 -0.967 1.00 51.11 N +ATOM 451 CA ILE A 29 4.431 0.307 -1.145 1.00 75.13 C +ATOM 452 C ILE A 29 5.723 -0.466 -1.268 1.00 55.20 C +ATOM 453 O ILE A 29 6.028 -1.325 -0.431 1.00 34.10 O +ATOM 454 CB ILE A 29 4.501 1.328 0.021 1.00 62.51 C +ATOM 455 CG1 ILE A 29 3.261 2.230 -0.033 1.00 4.42 C +ATOM 456 CG2 ILE A 29 5.807 2.153 0.000 1.00 61.03 C +ATOM 457 CD1 ILE A 29 3.169 3.211 1.082 1.00 72.33 C +ATOM 458 H ILE A 29 3.394 -1.256 -0.228 1.00 43.21 H +ATOM 459 HA ILE A 29 4.264 0.845 -2.068 1.00 1.25 H +ATOM 460 HB ILE A 29 4.474 0.774 0.948 1.00 12.04 H +ATOM 461 HG12 ILE A 29 3.278 2.792 -0.954 1.00 37.45 H +ATOM 462 HG13 ILE A 29 2.377 1.610 -0.015 1.00 37.45 H +ATOM 463 HG21 ILE A 29 5.866 2.728 -0.910 1.00 37.45 H +ATOM 464 HG22 ILE A 29 6.653 1.484 0.057 1.00 37.45 H +ATOM 465 HG23 ILE A 29 5.847 2.817 0.854 1.00 37.45 H +ATOM 466 HD11 ILE A 29 2.264 3.791 0.982 1.00 37.45 H +ATOM 467 HD12 ILE A 29 4.035 3.852 1.071 1.00 37.45 H +ATOM 468 HD13 ILE A 29 3.147 2.643 1.996 1.00 37.45 H +ATOM 469 N THR A 30 6.449 -0.197 -2.316 1.00 61.15 N +ATOM 470 CA THR A 30 7.698 -0.837 -2.544 1.00 0.33 C +ATOM 471 C THR A 30 8.819 0.122 -2.171 1.00 1.03 C +ATOM 472 O THR A 30 8.770 1.311 -2.503 1.00 52.11 O +ATOM 473 CB THR A 30 7.835 -1.326 -4.026 1.00 23.11 C +ATOM 474 OG1 THR A 30 9.076 -2.003 -4.214 1.00 34.23 O +ATOM 475 CG2 THR A 30 7.730 -0.173 -5.022 1.00 22.20 C +ATOM 476 H THR A 30 6.164 0.478 -2.964 1.00 60.44 H +ATOM 477 HA THR A 30 7.751 -1.693 -1.886 1.00 52.54 H +ATOM 478 HB THR A 30 7.037 -2.030 -4.219 1.00 24.05 H +ATOM 479 HG1 THR A 30 9.301 -2.000 -5.149 1.00 12.43 H +ATOM 480 HG21 THR A 30 8.520 0.538 -4.835 1.00 37.45 H +ATOM 481 HG22 THR A 30 6.772 0.312 -4.912 1.00 37.45 H +ATOM 482 HG23 THR A 30 7.823 -0.559 -6.026 1.00 37.45 H +ATOM 483 N GLU A 31 9.780 -0.371 -1.447 1.00 61.20 N +ATOM 484 CA GLU A 31 10.893 0.430 -1.036 1.00 33.32 C +ATOM 485 C GLU A 31 12.170 -0.390 -1.091 1.00 52.14 C +ATOM 486 O GLU A 31 12.463 -1.182 -0.177 1.00 41.03 O +ATOM 487 CB GLU A 31 10.643 1.002 0.370 1.00 21.22 C +ATOM 488 CG GLU A 31 11.755 1.881 0.893 1.00 4.33 C +ATOM 489 CD GLU A 31 12.088 3.000 -0.044 1.00 63.33 C +ATOM 490 OE1 GLU A 31 11.347 3.987 -0.087 1.00 74.21 O +ATOM 491 OE2 GLU A 31 13.110 2.923 -0.737 1.00 13.20 O +ATOM 492 H GLU A 31 9.733 -1.313 -1.171 1.00 43.43 H +ATOM 493 HA GLU A 31 10.980 1.249 -1.733 1.00 32.54 H +ATOM 494 HB2 GLU A 31 9.735 1.587 0.353 1.00 37.45 H +ATOM 495 HB3 GLU A 31 10.508 0.181 1.058 1.00 37.45 H +ATOM 496 HG2 GLU A 31 11.431 2.319 1.821 1.00 37.45 H +ATOM 497 HG3 GLU A 31 12.629 1.282 1.086 1.00 37.45 H +ATOM 498 N GLY A 32 12.903 -0.232 -2.184 1.00 1.52 N +ATOM 499 CA GLY A 32 14.131 -0.971 -2.397 1.00 12.15 C +ATOM 500 C GLY A 32 13.866 -2.443 -2.641 1.00 74.10 C +ATOM 501 O GLY A 32 13.773 -2.892 -3.781 1.00 75.32 O +ATOM 502 H GLY A 32 12.594 0.405 -2.861 1.00 54.14 H +ATOM 503 HA2 GLY A 32 14.649 -0.557 -3.252 1.00 37.45 H +ATOM 504 HA3 GLY A 32 14.756 -0.871 -1.521 1.00 37.45 H +ATOM 505 N SER A 33 13.750 -3.180 -1.569 1.00 71.02 N +ATOM 506 CA SER A 33 13.433 -4.581 -1.614 1.00 64.31 C +ATOM 507 C SER A 33 12.414 -4.921 -0.531 1.00 74.25 C +ATOM 508 O SER A 33 12.173 -6.083 -0.208 1.00 15.32 O +ATOM 509 CB SER A 33 14.701 -5.412 -1.475 1.00 22.32 C +ATOM 510 OG SER A 33 15.442 -5.041 -0.315 1.00 40.42 O +ATOM 511 H SER A 33 13.889 -2.747 -0.702 1.00 51.21 H +ATOM 512 HA SER A 33 12.992 -4.764 -2.577 1.00 51.34 H +ATOM 513 HB2 SER A 33 14.436 -6.455 -1.398 1.00 37.45 H +ATOM 514 HB3 SER A 33 15.319 -5.260 -2.347 1.00 37.45 H +ATOM 515 HG SER A 33 16.365 -5.054 -0.593 1.00 3.10 H +ATOM 516 N LEU A 34 11.809 -3.904 0.003 1.00 52.34 N +ATOM 517 CA LEU A 34 10.852 -4.035 1.028 1.00 54.01 C +ATOM 518 C LEU A 34 9.466 -3.780 0.502 1.00 23.04 C +ATOM 519 O LEU A 34 9.233 -2.822 -0.229 1.00 2.41 O +ATOM 520 CB LEU A 34 11.184 -3.053 2.131 1.00 44.31 C +ATOM 521 CG LEU A 34 10.100 -2.811 3.169 1.00 34.41 C +ATOM 522 CD1 LEU A 34 9.842 -4.042 4.033 1.00 62.42 C +ATOM 523 CD2 LEU A 34 10.392 -1.574 4.000 1.00 62.45 C +ATOM 524 H LEU A 34 11.972 -2.984 -0.302 1.00 45.34 H +ATOM 525 HA LEU A 34 10.914 -5.031 1.438 1.00 43.02 H +ATOM 526 HB2 LEU A 34 12.034 -3.502 2.630 1.00 37.45 H +ATOM 527 HB3 LEU A 34 11.486 -2.115 1.688 1.00 37.45 H +ATOM 528 HG LEU A 34 9.223 -2.615 2.573 1.00 55.40 H +ATOM 529 HD11 LEU A 34 9.070 -3.818 4.754 1.00 37.45 H +ATOM 530 HD12 LEU A 34 10.750 -4.314 4.548 1.00 37.45 H +ATOM 531 HD13 LEU A 34 9.524 -4.862 3.406 1.00 37.45 H +ATOM 532 HD21 LEU A 34 10.453 -0.703 3.360 1.00 37.45 H +ATOM 533 HD22 LEU A 34 11.332 -1.701 4.517 1.00 37.45 H +ATOM 534 HD23 LEU A 34 9.603 -1.421 4.721 1.00 37.45 H +ATOM 535 N ARG A 35 8.577 -4.651 0.842 1.00 43.41 N +ATOM 536 CA ARG A 35 7.181 -4.484 0.529 1.00 23.10 C +ATOM 537 C ARG A 35 6.393 -4.179 1.785 1.00 10.32 C +ATOM 538 O ARG A 35 6.340 -4.994 2.708 1.00 61.42 O +ATOM 539 CB ARG A 35 6.617 -5.722 -0.149 1.00 14.20 C +ATOM 540 CG ARG A 35 7.149 -5.982 -1.538 1.00 23.25 C +ATOM 541 CD ARG A 35 6.773 -4.862 -2.480 1.00 1.21 C +ATOM 542 NE ARG A 35 7.147 -5.152 -3.863 1.00 42.40 N +ATOM 543 CZ ARG A 35 6.482 -4.715 -4.942 1.00 20.23 C +ATOM 544 NH1 ARG A 35 5.285 -4.131 -4.812 1.00 45.43 N +ATOM 545 NH2 ARG A 35 6.978 -4.921 -6.145 1.00 32.22 N +ATOM 546 H ARG A 35 8.867 -5.464 1.323 1.00 41.44 H +ATOM 547 HA ARG A 35 7.090 -3.644 -0.144 1.00 44.13 H +ATOM 548 HB2 ARG A 35 6.866 -6.578 0.460 1.00 37.45 H +ATOM 549 HB3 ARG A 35 5.542 -5.630 -0.202 1.00 37.45 H +ATOM 550 HG2 ARG A 35 8.223 -6.070 -1.499 1.00 37.45 H +ATOM 551 HG3 ARG A 35 6.721 -6.903 -1.905 1.00 37.45 H +ATOM 552 HD2 ARG A 35 5.715 -4.674 -2.421 1.00 37.45 H +ATOM 553 HD3 ARG A 35 7.299 -3.970 -2.170 1.00 37.45 H +ATOM 554 HE ARG A 35 7.972 -5.677 -3.963 1.00 10.41 H +ATOM 555 HH11 ARG A 35 4.848 -4.015 -3.916 1.00 37.45 H +ATOM 556 HH12 ARG A 35 4.769 -3.789 -5.605 1.00 37.45 H +ATOM 557 HH21 ARG A 35 7.846 -5.404 -6.307 1.00 37.45 H +ATOM 558 HH22 ARG A 35 6.520 -4.602 -6.978 1.00 37.45 H +ATOM 559 N ALA A 36 5.823 -3.008 1.832 1.00 14.03 N +ATOM 560 CA ALA A 36 4.984 -2.618 2.929 1.00 64.51 C +ATOM 561 C ALA A 36 3.538 -2.666 2.474 1.00 22.02 C +ATOM 562 O ALA A 36 3.161 -1.989 1.505 1.00 61.41 O +ATOM 563 CB ALA A 36 5.352 -1.221 3.404 1.00 1.01 C +ATOM 564 H ALA A 36 5.959 -2.362 1.102 1.00 61.24 H +ATOM 565 HA ALA A 36 5.130 -3.318 3.738 1.00 20.03 H +ATOM 566 HB1 ALA A 36 4.719 -0.944 4.232 1.00 37.45 H +ATOM 567 HB2 ALA A 36 5.218 -0.520 2.594 1.00 37.45 H +ATOM 568 HB3 ALA A 36 6.385 -1.208 3.720 1.00 37.45 H +ATOM 569 N VAL A 37 2.744 -3.478 3.129 1.00 25.01 N +ATOM 570 CA VAL A 37 1.344 -3.613 2.777 1.00 43.24 C +ATOM 571 C VAL A 37 0.451 -3.115 3.891 1.00 55.40 C +ATOM 572 O VAL A 37 0.567 -3.537 5.038 1.00 35.23 O +ATOM 573 CB VAL A 37 0.957 -5.065 2.383 1.00 45.20 C +ATOM 574 CG1 VAL A 37 -0.530 -5.162 2.078 1.00 41.23 C +ATOM 575 CG2 VAL A 37 1.734 -5.496 1.171 1.00 41.44 C +ATOM 576 H VAL A 37 3.103 -4.002 3.882 1.00 2.21 H +ATOM 577 HA VAL A 37 1.182 -2.973 1.921 1.00 23.04 H +ATOM 578 HB VAL A 37 1.197 -5.729 3.200 1.00 4.52 H +ATOM 579 HG11 VAL A 37 -0.779 -6.176 1.801 1.00 37.45 H +ATOM 580 HG12 VAL A 37 -0.775 -4.494 1.265 1.00 37.45 H +ATOM 581 HG13 VAL A 37 -1.094 -4.880 2.955 1.00 37.45 H +ATOM 582 HG21 VAL A 37 1.394 -6.470 0.853 1.00 37.45 H +ATOM 583 HG22 VAL A 37 2.794 -5.501 1.380 1.00 37.45 H +ATOM 584 HG23 VAL A 37 1.515 -4.773 0.401 1.00 37.45 H +ATOM 585 N ILE A 38 -0.416 -2.225 3.543 1.00 44.01 N +ATOM 586 CA ILE A 38 -1.345 -1.624 4.432 1.00 3.11 C +ATOM 587 C ILE A 38 -2.740 -2.179 4.181 1.00 41.21 C +ATOM 588 O ILE A 38 -3.241 -2.132 3.055 1.00 63.21 O +ATOM 589 CB ILE A 38 -1.331 -0.102 4.189 1.00 25.33 C +ATOM 590 CG1 ILE A 38 -0.025 0.504 4.666 1.00 3.32 C +ATOM 591 CG2 ILE A 38 -2.513 0.605 4.806 1.00 30.03 C +ATOM 592 CD1 ILE A 38 0.107 1.955 4.315 1.00 50.42 C +ATOM 593 H ILE A 38 -0.453 -1.929 2.606 1.00 5.54 H +ATOM 594 HA ILE A 38 -1.042 -1.806 5.452 1.00 12.32 H +ATOM 595 HB ILE A 38 -1.388 0.044 3.122 1.00 32.45 H +ATOM 596 HG12 ILE A 38 0.034 0.414 5.740 1.00 37.45 H +ATOM 597 HG13 ILE A 38 0.795 -0.030 4.214 1.00 37.45 H +ATOM 598 HG21 ILE A 38 -3.428 0.200 4.401 1.00 37.45 H +ATOM 599 HG22 ILE A 38 -2.451 1.654 4.547 1.00 37.45 H +ATOM 600 HG23 ILE A 38 -2.498 0.490 5.879 1.00 37.45 H +ATOM 601 HD11 ILE A 38 -0.791 2.485 4.594 1.00 37.45 H +ATOM 602 HD12 ILE A 38 0.221 1.981 3.241 1.00 37.45 H +ATOM 603 HD13 ILE A 38 0.960 2.389 4.819 1.00 37.45 H +ATOM 604 N PHE A 39 -3.335 -2.732 5.203 1.00 64.24 N +ATOM 605 CA PHE A 39 -4.690 -3.183 5.142 1.00 31.34 C +ATOM 606 C PHE A 39 -5.540 -2.237 5.954 1.00 43.34 C +ATOM 607 O PHE A 39 -5.331 -2.075 7.169 1.00 34.24 O +ATOM 608 CB PHE A 39 -4.847 -4.620 5.660 1.00 4.32 C +ATOM 609 CG PHE A 39 -4.144 -5.674 4.854 1.00 70.14 C +ATOM 610 CD1 PHE A 39 -4.776 -6.270 3.775 1.00 1.02 C +ATOM 611 CD2 PHE A 39 -2.863 -6.087 5.186 1.00 74.21 C +ATOM 612 CE1 PHE A 39 -4.144 -7.254 3.041 1.00 4.30 C +ATOM 613 CE2 PHE A 39 -2.225 -7.069 4.454 1.00 55.01 C +ATOM 614 CZ PHE A 39 -2.868 -7.654 3.379 1.00 64.03 C +ATOM 615 H PHE A 39 -2.860 -2.842 6.061 1.00 20.45 H +ATOM 616 HA PHE A 39 -5.017 -3.129 4.113 1.00 60.13 H +ATOM 617 HB2 PHE A 39 -4.436 -4.676 6.654 1.00 37.45 H +ATOM 618 HB3 PHE A 39 -5.897 -4.871 5.698 1.00 37.45 H +ATOM 619 HD1 PHE A 39 -5.773 -5.956 3.507 1.00 51.13 H +ATOM 620 HD2 PHE A 39 -2.360 -5.628 6.023 1.00 62.44 H +ATOM 621 HE1 PHE A 39 -4.651 -7.708 2.201 1.00 71.55 H +ATOM 622 HE2 PHE A 39 -1.228 -7.382 4.720 1.00 62.51 H +ATOM 623 HZ PHE A 39 -2.373 -8.424 2.808 1.00 11.04 H +ATOM 624 N ILE A 40 -6.460 -1.600 5.300 1.00 24.15 N +ATOM 625 CA ILE A 40 -7.317 -0.649 5.951 1.00 52.21 C +ATOM 626 C ILE A 40 -8.522 -1.368 6.499 1.00 62.54 C +ATOM 627 O ILE A 40 -9.285 -1.980 5.743 1.00 54.52 O +ATOM 628 CB ILE A 40 -7.778 0.470 4.985 1.00 70.24 C +ATOM 629 CG1 ILE A 40 -6.568 1.197 4.351 1.00 20.23 C +ATOM 630 CG2 ILE A 40 -8.711 1.457 5.684 1.00 64.52 C +ATOM 631 CD1 ILE A 40 -5.594 1.769 5.330 1.00 51.51 C +ATOM 632 H ILE A 40 -6.562 -1.800 4.344 1.00 61.12 H +ATOM 633 HA ILE A 40 -6.773 -0.203 6.771 1.00 33.21 H +ATOM 634 HB ILE A 40 -8.347 -0.002 4.199 1.00 2.34 H +ATOM 635 HG12 ILE A 40 -6.007 0.583 3.666 1.00 37.45 H +ATOM 636 HG13 ILE A 40 -6.958 2.046 3.819 1.00 37.45 H +ATOM 637 HG21 ILE A 40 -9.591 0.935 6.034 1.00 37.45 H +ATOM 638 HG22 ILE A 40 -9.005 2.235 4.996 1.00 37.45 H +ATOM 639 HG23 ILE A 40 -8.199 1.897 6.528 1.00 37.45 H +ATOM 640 HD11 ILE A 40 -6.110 2.528 5.892 1.00 37.45 H +ATOM 641 HD12 ILE A 40 -4.781 2.220 4.780 1.00 37.45 H +ATOM 642 HD13 ILE A 40 -5.207 0.987 5.966 1.00 37.45 H +ATOM 643 N THR A 41 -8.685 -1.308 7.795 1.00 71.31 N +ATOM 644 CA THR A 41 -9.768 -1.981 8.445 1.00 25.13 C +ATOM 645 C THR A 41 -10.642 -0.964 9.170 1.00 33.10 C +ATOM 646 O THR A 41 -10.236 0.189 9.368 1.00 1.44 O +ATOM 647 CB THR A 41 -9.241 -3.021 9.475 1.00 34.23 C +ATOM 648 OG1 THR A 41 -8.505 -2.351 10.501 1.00 24.03 O +ATOM 649 CG2 THR A 41 -8.329 -4.047 8.811 1.00 43.11 C +ATOM 650 H THR A 41 -8.066 -0.773 8.340 1.00 13.41 H +ATOM 651 HA THR A 41 -10.352 -2.500 7.700 1.00 5.15 H +ATOM 652 HB THR A 41 -10.084 -3.530 9.918 1.00 23.41 H +ATOM 653 HG1 THR A 41 -7.800 -1.834 10.088 1.00 44.13 H +ATOM 654 HG21 THR A 41 -7.491 -3.537 8.356 1.00 37.45 H +ATOM 655 HG22 THR A 41 -8.869 -4.592 8.054 1.00 37.45 H +ATOM 656 HG23 THR A 41 -7.963 -4.737 9.558 1.00 37.45 H +ATOM 657 N LYS A 42 -11.822 -1.389 9.566 1.00 75.33 N +ATOM 658 CA LYS A 42 -12.760 -0.548 10.311 1.00 24.35 C +ATOM 659 C LYS A 42 -12.257 -0.283 11.735 1.00 23.10 C +ATOM 660 O LYS A 42 -12.734 0.630 12.403 1.00 3.24 O +ATOM 661 CB LYS A 42 -14.172 -1.201 10.383 1.00 22.15 C +ATOM 662 CG LYS A 42 -14.293 -2.450 11.287 1.00 51.03 C +ATOM 663 CD LYS A 42 -13.405 -3.610 10.855 1.00 53.24 C +ATOM 664 CE LYS A 42 -13.480 -4.763 11.831 1.00 5.15 C +ATOM 665 NZ LYS A 42 -14.849 -5.329 11.934 1.00 10.44 N +ATOM 666 H LYS A 42 -12.107 -2.291 9.308 1.00 54.41 H +ATOM 667 HA LYS A 42 -12.839 0.394 9.796 1.00 25.42 H +ATOM 668 HB2 LYS A 42 -14.864 -0.470 10.772 1.00 37.45 H +ATOM 669 HB3 LYS A 42 -14.478 -1.473 9.384 1.00 37.45 H +ATOM 670 HG2 LYS A 42 -14.008 -2.170 12.290 1.00 37.45 H +ATOM 671 HG3 LYS A 42 -15.324 -2.773 11.292 1.00 37.45 H +ATOM 672 HD2 LYS A 42 -13.729 -3.963 9.889 1.00 37.45 H +ATOM 673 HD3 LYS A 42 -12.382 -3.267 10.796 1.00 37.45 H +ATOM 674 HE2 LYS A 42 -12.776 -5.518 11.517 1.00 37.45 H +ATOM 675 HE3 LYS A 42 -13.168 -4.366 12.786 1.00 37.45 H +ATOM 676 HZ1 LYS A 42 -15.176 -5.658 11.002 1.00 37.45 H +ATOM 677 HZ2 LYS A 42 -15.528 -4.626 12.290 1.00 37.45 H +ATOM 678 HZ3 LYS A 42 -14.867 -6.148 12.573 1.00 37.45 H +ATOM 679 N ARG A 43 -11.311 -1.105 12.195 1.00 51.55 N +ATOM 680 CA ARG A 43 -10.775 -0.969 13.540 1.00 13.15 C +ATOM 681 C ARG A 43 -9.507 -0.139 13.522 1.00 54.02 C +ATOM 682 O ARG A 43 -9.128 0.464 14.524 1.00 1.23 O +ATOM 683 CB ARG A 43 -10.497 -2.344 14.190 1.00 31.31 C +ATOM 684 CG ARG A 43 -9.474 -3.201 13.452 1.00 3.44 C +ATOM 685 CD ARG A 43 -9.159 -4.486 14.201 1.00 11.34 C +ATOM 686 NE ARG A 43 -8.530 -4.236 15.506 1.00 31.13 N +ATOM 687 CZ ARG A 43 -8.223 -5.186 16.408 1.00 23.50 C +ATOM 688 NH1 ARG A 43 -8.541 -6.461 16.188 1.00 21.22 N +ATOM 689 NH2 ARG A 43 -7.608 -4.848 17.528 1.00 31.22 N +ATOM 690 H ARG A 43 -10.970 -1.802 11.599 1.00 52.03 H +ATOM 691 HA ARG A 43 -11.513 -0.447 14.131 1.00 4.51 H +ATOM 692 HB2 ARG A 43 -10.142 -2.195 15.199 1.00 37.45 H +ATOM 693 HB3 ARG A 43 -11.426 -2.891 14.231 1.00 37.45 H +ATOM 694 HG2 ARG A 43 -9.868 -3.451 12.478 1.00 37.45 H +ATOM 695 HG3 ARG A 43 -8.567 -2.627 13.331 1.00 37.45 H +ATOM 696 HD2 ARG A 43 -10.074 -5.036 14.358 1.00 37.45 H +ATOM 697 HD3 ARG A 43 -8.485 -5.081 13.602 1.00 37.45 H +ATOM 698 HE ARG A 43 -8.306 -3.300 15.716 1.00 72.03 H +ATOM 699 HH11 ARG A 43 -9.014 -6.778 15.366 1.00 37.45 H +ATOM 700 HH12 ARG A 43 -8.301 -7.163 16.864 1.00 37.45 H +ATOM 701 HH21 ARG A 43 -7.364 -3.887 17.714 1.00 37.45 H +ATOM 702 HH22 ARG A 43 -7.357 -5.515 18.233 1.00 37.45 H +ATOM 703 N GLY A 44 -8.846 -0.097 12.391 1.00 74.21 N +ATOM 704 CA GLY A 44 -7.641 0.675 12.332 1.00 13.11 C +ATOM 705 C GLY A 44 -6.730 0.332 11.209 1.00 34.24 C +ATOM 706 O GLY A 44 -7.165 0.045 10.083 1.00 73.14 O +ATOM 707 H GLY A 44 -9.194 -0.589 11.612 1.00 52.51 H +ATOM 708 HA2 GLY A 44 -7.882 1.720 12.215 1.00 37.45 H +ATOM 709 HA3 GLY A 44 -7.104 0.546 13.260 1.00 37.45 H +ATOM 710 N LEU A 45 -5.477 0.328 11.519 1.00 13.04 N +ATOM 711 CA LEU A 45 -4.443 0.158 10.553 1.00 61.04 C +ATOM 712 C LEU A 45 -3.749 -1.157 10.798 1.00 32.22 C +ATOM 713 O LEU A 45 -3.257 -1.415 11.899 1.00 21.21 O +ATOM 714 CB LEU A 45 -3.452 1.330 10.690 1.00 72.40 C +ATOM 715 CG LEU A 45 -2.256 1.366 9.743 1.00 3.32 C +ATOM 716 CD1 LEU A 45 -2.713 1.439 8.302 1.00 21.22 C +ATOM 717 CD2 LEU A 45 -1.348 2.546 10.083 1.00 31.22 C +ATOM 718 H LEU A 45 -5.220 0.413 12.463 1.00 64.33 H +ATOM 719 HA LEU A 45 -4.871 0.181 9.563 1.00 15.41 H +ATOM 720 HB2 LEU A 45 -4.001 2.251 10.561 1.00 37.45 H +ATOM 721 HB3 LEU A 45 -3.075 1.307 11.701 1.00 37.45 H +ATOM 722 HG LEU A 45 -1.684 0.460 9.869 1.00 54.40 H +ATOM 723 HD11 LEU A 45 -3.299 0.562 8.072 1.00 37.45 H +ATOM 724 HD12 LEU A 45 -1.852 1.485 7.653 1.00 37.45 H +ATOM 725 HD13 LEU A 45 -3.321 2.321 8.160 1.00 37.45 H +ATOM 726 HD21 LEU A 45 -1.897 3.471 9.992 1.00 37.45 H +ATOM 727 HD22 LEU A 45 -0.513 2.566 9.399 1.00 37.45 H +ATOM 728 HD23 LEU A 45 -0.954 2.458 11.090 1.00 37.45 H +ATOM 729 N LYS A 46 -3.747 -1.986 9.799 1.00 13.10 N +ATOM 730 CA LYS A 46 -3.112 -3.265 9.857 1.00 34.24 C +ATOM 731 C LYS A 46 -2.011 -3.213 8.812 1.00 23.34 C +ATOM 732 O LYS A 46 -2.276 -2.964 7.649 1.00 71.44 O +ATOM 733 CB LYS A 46 -4.175 -4.334 9.506 1.00 42.01 C +ATOM 734 CG LYS A 46 -3.836 -5.823 9.738 1.00 41.31 C +ATOM 735 CD LYS A 46 -2.612 -6.327 9.000 1.00 21.44 C +ATOM 736 CE LYS A 46 -2.513 -7.847 9.099 1.00 35.02 C +ATOM 737 NZ LYS A 46 -2.551 -8.334 10.497 1.00 24.21 N +ATOM 738 H LYS A 46 -4.185 -1.746 8.952 1.00 12.23 H +ATOM 739 HA LYS A 46 -2.706 -3.444 10.840 1.00 43.41 H +ATOM 740 HB2 LYS A 46 -5.051 -4.121 10.101 1.00 37.45 H +ATOM 741 HB3 LYS A 46 -4.445 -4.197 8.471 1.00 37.45 H +ATOM 742 HG2 LYS A 46 -3.655 -6.000 10.787 1.00 37.45 H +ATOM 743 HG3 LYS A 46 -4.691 -6.398 9.415 1.00 37.45 H +ATOM 744 HD2 LYS A 46 -2.688 -6.039 7.964 1.00 37.45 H +ATOM 745 HD3 LYS A 46 -1.728 -5.889 9.439 1.00 37.45 H +ATOM 746 HE2 LYS A 46 -3.340 -8.281 8.558 1.00 37.45 H +ATOM 747 HE3 LYS A 46 -1.587 -8.161 8.639 1.00 37.45 H +ATOM 748 HZ1 LYS A 46 -3.470 -8.128 10.941 1.00 37.45 H +ATOM 749 HZ2 LYS A 46 -1.800 -7.950 11.103 1.00 37.45 H +ATOM 750 HZ3 LYS A 46 -2.448 -9.367 10.512 1.00 37.45 H +ATOM 751 N VAL A 47 -0.809 -3.426 9.213 1.00 34.23 N +ATOM 752 CA VAL A 47 0.299 -3.314 8.305 1.00 21.03 C +ATOM 753 C VAL A 47 1.095 -4.605 8.270 1.00 3.41 C +ATOM 754 O VAL A 47 1.252 -5.263 9.290 1.00 62.43 O +ATOM 755 CB VAL A 47 1.221 -2.124 8.690 1.00 34.11 C +ATOM 756 CG1 VAL A 47 1.922 -2.367 10.022 1.00 65.02 C +ATOM 757 CG2 VAL A 47 2.215 -1.803 7.584 1.00 64.24 C +ATOM 758 H VAL A 47 -0.648 -3.662 10.155 1.00 20.31 H +ATOM 759 HA VAL A 47 -0.103 -3.127 7.320 1.00 40.24 H +ATOM 760 HB VAL A 47 0.578 -1.268 8.828 1.00 24.31 H +ATOM 761 HG11 VAL A 47 2.586 -1.544 10.235 1.00 37.45 H +ATOM 762 HG12 VAL A 47 2.489 -3.284 9.965 1.00 37.45 H +ATOM 763 HG13 VAL A 47 1.185 -2.454 10.805 1.00 37.45 H +ATOM 764 HG21 VAL A 47 1.681 -1.531 6.686 1.00 37.45 H +ATOM 765 HG22 VAL A 47 2.823 -2.675 7.391 1.00 37.45 H +ATOM 766 HG23 VAL A 47 2.844 -0.981 7.893 1.00 37.45 H +ATOM 767 N CYS A 48 1.530 -4.978 7.110 1.00 55.40 N +ATOM 768 CA CYS A 48 2.369 -6.135 6.927 1.00 45.53 C +ATOM 769 C CYS A 48 3.652 -5.765 6.254 1.00 53.22 C +ATOM 770 O CYS A 48 3.674 -4.910 5.365 1.00 62.24 O +ATOM 771 CB CYS A 48 1.662 -7.242 6.150 1.00 31.12 C +ATOM 772 SG CYS A 48 0.408 -8.132 7.109 1.00 40.52 S +ATOM 773 H CYS A 48 1.295 -4.438 6.318 1.00 23.53 H +ATOM 774 HA CYS A 48 2.608 -6.511 7.911 1.00 1.44 H +ATOM 775 HB2 CYS A 48 1.171 -6.810 5.290 1.00 37.45 H +ATOM 776 HB3 CYS A 48 2.395 -7.962 5.814 1.00 37.45 H +ATOM 777 N ALA A 49 4.718 -6.381 6.685 1.00 50.04 N +ATOM 778 CA ALA A 49 6.001 -6.151 6.081 1.00 2.22 C +ATOM 779 C ALA A 49 6.521 -7.425 5.441 1.00 12.22 C +ATOM 780 O ALA A 49 6.628 -8.448 6.094 1.00 32.14 O +ATOM 781 CB ALA A 49 6.985 -5.698 7.129 1.00 65.51 C +ATOM 782 H ALA A 49 4.635 -6.990 7.455 1.00 13.35 H +ATOM 783 HA ALA A 49 5.885 -5.348 5.365 1.00 45.31 H +ATOM 784 HB1 ALA A 49 7.097 -6.473 7.873 1.00 37.45 H +ATOM 785 HB2 ALA A 49 6.607 -4.803 7.598 1.00 37.45 H +ATOM 786 HB3 ALA A 49 7.939 -5.495 6.668 1.00 37.45 H +ATOM 787 N ASP A 50 6.835 -7.337 4.185 1.00 43.42 N +ATOM 788 CA ASP A 50 7.418 -8.424 3.406 1.00 33.24 C +ATOM 789 C ASP A 50 8.741 -7.938 2.807 1.00 44.21 C +ATOM 790 O ASP A 50 8.764 -7.276 1.765 1.00 65.21 O +ATOM 791 CB ASP A 50 6.444 -8.874 2.291 1.00 64.54 C +ATOM 792 CG ASP A 50 6.980 -9.991 1.401 1.00 4.44 C +ATOM 793 OD1 ASP A 50 6.805 -11.179 1.750 1.00 13.22 O +ATOM 794 OD2 ASP A 50 7.534 -9.701 0.327 1.00 42.13 O +ATOM 795 H ASP A 50 6.654 -6.486 3.736 1.00 50.11 H +ATOM 796 HA ASP A 50 7.612 -9.248 4.075 1.00 74.32 H +ATOM 797 HB2 ASP A 50 5.537 -9.231 2.755 1.00 37.45 H +ATOM 798 HB3 ASP A 50 6.201 -8.023 1.673 1.00 37.45 H +ATOM 799 N PRO A 51 9.857 -8.156 3.504 1.00 11.11 N +ATOM 800 CA PRO A 51 11.146 -7.709 3.050 1.00 72.25 C +ATOM 801 C PRO A 51 11.971 -8.785 2.364 1.00 11.22 C +ATOM 802 O PRO A 51 12.128 -9.912 2.868 1.00 34.44 O +ATOM 803 CB PRO A 51 11.834 -7.317 4.367 1.00 31.10 C +ATOM 804 CG PRO A 51 11.087 -8.050 5.458 1.00 3.32 C +ATOM 805 CD PRO A 51 9.956 -8.806 4.804 1.00 3.14 C +ATOM 806 HA PRO A 51 11.135 -6.836 2.410 1.00 45.12 H +ATOM 807 HB2 PRO A 51 12.869 -7.619 4.330 1.00 37.45 H +ATOM 808 HB3 PRO A 51 11.773 -6.248 4.499 1.00 37.45 H +ATOM 809 HG2 PRO A 51 11.747 -8.738 5.965 1.00 37.45 H +ATOM 810 HG3 PRO A 51 10.691 -7.328 6.157 1.00 37.45 H +ATOM 811 HD2 PRO A 51 10.200 -9.854 4.703 1.00 37.45 H +ATOM 812 HD3 PRO A 51 9.050 -8.672 5.376 1.00 37.45 H +ATOM 813 N GLN A 52 12.520 -8.393 1.226 1.00 71.21 N +ATOM 814 CA GLN A 52 13.499 -9.164 0.446 1.00 65.10 C +ATOM 815 C GLN A 52 13.064 -10.611 0.132 1.00 74.13 C +ATOM 816 O GLN A 52 13.923 -11.458 -0.167 1.00 11.20 O +ATOM 817 CB GLN A 52 14.807 -9.194 1.207 1.00 33.22 C +ATOM 818 CG GLN A 52 15.267 -7.831 1.684 1.00 73.54 C +ATOM 819 CD GLN A 52 16.577 -7.913 2.426 1.00 52.31 C +ATOM 820 OE1 GLN A 52 17.419 -8.758 2.132 1.00 73.44 O +ATOM 821 NE2 GLN A 52 16.740 -7.095 3.417 1.00 45.14 N +ATOM 822 H GLN A 52 12.249 -7.513 0.870 1.00 31.12 H +ATOM 823 HA GLN A 52 13.676 -8.641 -0.482 1.00 22.22 H +ATOM 824 HB2 GLN A 52 14.689 -9.829 2.072 1.00 37.45 H +ATOM 825 HB3 GLN A 52 15.576 -9.606 0.570 1.00 37.45 H +ATOM 826 HG2 GLN A 52 15.360 -7.182 0.824 1.00 37.45 H +ATOM 827 HG3 GLN A 52 14.501 -7.423 2.330 1.00 37.45 H +ATOM 828 HE21 GLN A 52 16.009 -6.482 3.622 1.00 37.45 H +ATOM 829 HE22 GLN A 52 17.585 -7.156 3.919 1.00 37.45 H +ATOM 830 N ALA A 53 11.772 -10.884 0.157 1.00 55.14 N +ATOM 831 CA ALA A 53 11.271 -12.227 -0.110 1.00 22.21 C +ATOM 832 C ALA A 53 11.596 -12.612 -1.527 1.00 35.43 C +ATOM 833 O ALA A 53 12.329 -13.578 -1.791 1.00 41.22 O +ATOM 834 CB ALA A 53 9.776 -12.278 0.092 1.00 3.33 C +ATOM 835 H ALA A 53 11.142 -10.155 0.348 1.00 11.22 H +ATOM 836 HA ALA A 53 11.743 -12.914 0.575 1.00 41.22 H +ATOM 837 HB1 ALA A 53 9.513 -11.980 1.096 1.00 37.45 H +ATOM 838 HB2 ALA A 53 9.437 -13.285 -0.102 1.00 37.45 H +ATOM 839 HB3 ALA A 53 9.319 -11.612 -0.627 1.00 37.45 H +ATOM 840 N THR A 54 11.077 -11.848 -2.418 1.00 4.13 N +ATOM 841 CA THR A 54 11.303 -12.017 -3.793 1.00 15.23 C +ATOM 842 C THR A 54 12.260 -10.936 -4.240 1.00 24.01 C +ATOM 843 O THR A 54 12.662 -10.076 -3.431 1.00 13.11 O +ATOM 844 CB THR A 54 9.970 -11.892 -4.557 1.00 52.11 C +ATOM 845 OG1 THR A 54 9.351 -10.637 -4.230 1.00 32.41 O +ATOM 846 CG2 THR A 54 9.023 -13.022 -4.180 1.00 24.23 C +ATOM 847 H THR A 54 10.501 -11.098 -2.153 1.00 43.41 H +ATOM 848 HA THR A 54 11.725 -12.994 -3.974 1.00 31.32 H +ATOM 849 HB THR A 54 10.169 -11.932 -5.618 1.00 53.30 H +ATOM 850 HG1 THR A 54 8.719 -10.438 -4.933 1.00 41.13 H +ATOM 851 HG21 THR A 54 8.812 -12.975 -3.122 1.00 37.45 H +ATOM 852 HG22 THR A 54 9.477 -13.974 -4.413 1.00 37.45 H +ATOM 853 HG23 THR A 54 8.102 -12.923 -4.735 1.00 37.45 H +ATOM 854 N TRP A 55 12.670 -10.981 -5.460 1.00 33.41 N +ATOM 855 CA TRP A 55 13.478 -9.922 -5.983 1.00 51.12 C +ATOM 856 C TRP A 55 12.596 -8.773 -6.379 1.00 10.43 C +ATOM 857 O TRP A 55 11.726 -8.906 -7.242 1.00 64.22 O +ATOM 858 CB TRP A 55 14.383 -10.381 -7.117 1.00 75.15 C +ATOM 859 CG TRP A 55 15.482 -11.292 -6.658 1.00 42.31 C +ATOM 860 CD1 TRP A 55 15.486 -12.655 -6.658 1.00 14.05 C +ATOM 861 CD2 TRP A 55 16.746 -10.887 -6.113 1.00 20.22 C +ATOM 862 NE1 TRP A 55 16.677 -13.122 -6.157 1.00 41.41 N +ATOM 863 CE2 TRP A 55 17.466 -12.054 -5.816 1.00 73.33 C +ATOM 864 CE3 TRP A 55 17.340 -9.644 -5.853 1.00 34.22 C +ATOM 865 CZ2 TRP A 55 18.751 -12.021 -5.270 1.00 2.41 C +ATOM 866 CZ3 TRP A 55 18.611 -9.613 -5.313 1.00 75.02 C +ATOM 867 CH2 TRP A 55 19.303 -10.794 -5.026 1.00 30.31 C +ATOM 868 H TRP A 55 12.410 -11.745 -6.017 1.00 43.22 H +ATOM 869 HA TRP A 55 14.087 -9.586 -5.157 1.00 13.15 H +ATOM 870 HB2 TRP A 55 13.798 -10.899 -7.862 1.00 37.45 H +ATOM 871 HB3 TRP A 55 14.835 -9.510 -7.566 1.00 37.45 H +ATOM 872 HD1 TRP A 55 14.668 -13.268 -7.007 1.00 72.52 H +ATOM 873 HE1 TRP A 55 16.931 -14.065 -6.055 1.00 4.00 H +ATOM 874 HE3 TRP A 55 16.821 -8.721 -6.067 1.00 54.32 H +ATOM 875 HZ2 TRP A 55 19.304 -12.921 -5.042 1.00 24.21 H +ATOM 876 HZ3 TRP A 55 19.083 -8.664 -5.104 1.00 62.03 H +ATOM 877 HH2 TRP A 55 20.296 -10.721 -4.605 1.00 61.45 H +ATOM 878 N VAL A 56 12.791 -7.676 -5.718 1.00 51.41 N +ATOM 879 CA VAL A 56 11.977 -6.505 -5.899 1.00 3.21 C +ATOM 880 C VAL A 56 12.794 -5.453 -6.641 1.00 52.13 C +ATOM 881 O VAL A 56 14.027 -5.471 -6.584 1.00 2.14 O +ATOM 882 CB VAL A 56 11.557 -5.941 -4.514 1.00 45.22 C +ATOM 883 CG1 VAL A 56 10.587 -4.778 -4.629 1.00 54.52 C +ATOM 884 CG2 VAL A 56 11.001 -7.028 -3.605 1.00 12.00 C +ATOM 885 H VAL A 56 13.530 -7.624 -5.079 1.00 64.33 H +ATOM 886 HA VAL A 56 11.091 -6.760 -6.460 1.00 63.33 H +ATOM 887 HB VAL A 56 12.477 -5.583 -4.083 1.00 71.43 H +ATOM 888 HG11 VAL A 56 9.692 -5.106 -5.139 1.00 37.45 H +ATOM 889 HG12 VAL A 56 11.048 -3.981 -5.194 1.00 37.45 H +ATOM 890 HG13 VAL A 56 10.328 -4.421 -3.645 1.00 37.45 H +ATOM 891 HG21 VAL A 56 10.143 -7.482 -4.075 1.00 37.45 H +ATOM 892 HG22 VAL A 56 10.709 -6.600 -2.658 1.00 37.45 H +ATOM 893 HG23 VAL A 56 11.758 -7.781 -3.442 1.00 37.45 H +ATOM 894 N ARG A 57 12.125 -4.581 -7.350 1.00 53.41 N +ATOM 895 CA ARG A 57 12.773 -3.510 -8.063 1.00 73.22 C +ATOM 896 C ARG A 57 12.950 -2.330 -7.140 1.00 61.44 C +ATOM 897 O ARG A 57 12.089 -2.066 -6.289 1.00 13.21 O +ATOM 898 CB ARG A 57 11.952 -3.121 -9.288 1.00 43.34 C +ATOM 899 CG ARG A 57 11.819 -4.250 -10.276 1.00 54.22 C +ATOM 900 CD ARG A 57 10.958 -3.888 -11.466 1.00 50.33 C +ATOM 901 NE ARG A 57 10.876 -5.008 -12.407 1.00 44.43 N +ATOM 902 CZ ARG A 57 9.987 -5.147 -13.397 1.00 31.42 C +ATOM 903 NH1 ARG A 57 9.027 -4.241 -13.585 1.00 54.12 N +ATOM 904 NH2 ARG A 57 10.057 -6.210 -14.191 1.00 24.33 N +ATOM 905 H ARG A 57 11.147 -4.652 -7.390 1.00 52.10 H +ATOM 906 HA ARG A 57 13.745 -3.856 -8.384 1.00 43.14 H +ATOM 907 HB2 ARG A 57 10.962 -2.828 -8.966 1.00 37.45 H +ATOM 908 HB3 ARG A 57 12.421 -2.285 -9.785 1.00 37.45 H +ATOM 909 HG2 ARG A 57 12.809 -4.508 -10.625 1.00 37.45 H +ATOM 910 HG3 ARG A 57 11.388 -5.094 -9.762 1.00 37.45 H +ATOM 911 HD2 ARG A 57 9.968 -3.628 -11.122 1.00 37.45 H +ATOM 912 HD3 ARG A 57 11.401 -3.041 -11.969 1.00 37.45 H +ATOM 913 HE ARG A 57 11.570 -5.688 -12.257 1.00 14.43 H +ATOM 914 HH11 ARG A 57 8.931 -3.431 -13.001 1.00 37.45 H +ATOM 915 HH12 ARG A 57 8.352 -4.322 -14.322 1.00 37.45 H +ATOM 916 HH21 ARG A 57 10.754 -6.927 -14.082 1.00 37.45 H +ATOM 917 HH22 ARG A 57 9.419 -6.363 -14.948 1.00 37.45 H +ATOM 918 N ASP A 58 14.038 -1.612 -7.311 1.00 74.33 N +ATOM 919 CA ASP A 58 14.380 -0.480 -6.445 1.00 60.24 C +ATOM 920 C ASP A 58 13.592 0.768 -6.874 1.00 12.33 C +ATOM 921 O ASP A 58 14.154 1.779 -7.292 1.00 44.25 O +ATOM 922 CB ASP A 58 15.911 -0.228 -6.470 1.00 64.42 C +ATOM 923 CG ASP A 58 16.403 0.796 -5.449 1.00 63.31 C +ATOM 924 OD1 ASP A 58 16.754 0.398 -4.312 1.00 53.42 O +ATOM 925 OD2 ASP A 58 16.473 2.006 -5.775 1.00 4.13 O +ATOM 926 H ASP A 58 14.638 -1.837 -8.053 1.00 41.43 H +ATOM 927 HA ASP A 58 14.079 -0.743 -5.441 1.00 62.10 H +ATOM 928 HB2 ASP A 58 16.431 -1.154 -6.281 1.00 37.45 H +ATOM 929 HB3 ASP A 58 16.178 0.118 -7.457 1.00 37.45 H +ATOM 930 N VAL A 59 12.268 0.633 -6.823 1.00 41.03 N +ATOM 931 CA VAL A 59 11.298 1.691 -7.145 1.00 45.04 C +ATOM 932 C VAL A 59 11.358 2.127 -8.628 1.00 53.12 C +ATOM 933 O VAL A 59 12.346 2.719 -9.102 1.00 55.14 O +ATOM 934 CB VAL A 59 11.418 2.923 -6.194 1.00 0.34 C +ATOM 935 CG1 VAL A 59 10.373 3.978 -6.532 1.00 62.23 C +ATOM 936 CG2 VAL A 59 11.272 2.484 -4.740 1.00 51.24 C +ATOM 937 H VAL A 59 11.944 -0.259 -6.559 1.00 71.04 H +ATOM 938 HA VAL A 59 10.324 1.245 -6.997 1.00 60.13 H +ATOM 939 HB VAL A 59 12.399 3.357 -6.322 1.00 31.42 H +ATOM 940 HG11 VAL A 59 9.387 3.552 -6.417 1.00 37.45 H +ATOM 941 HG12 VAL A 59 10.504 4.301 -7.554 1.00 37.45 H +ATOM 942 HG13 VAL A 59 10.480 4.824 -5.869 1.00 37.45 H +ATOM 943 HG21 VAL A 59 11.346 3.341 -4.089 1.00 37.45 H +ATOM 944 HG22 VAL A 59 12.053 1.780 -4.499 1.00 37.45 H +ATOM 945 HG23 VAL A 59 10.310 2.013 -4.601 1.00 37.45 H +ATOM 946 N VAL A 60 10.308 1.834 -9.345 1.00 1.54 N +ATOM 947 CA VAL A 60 10.199 2.176 -10.755 1.00 61.24 C +ATOM 948 C VAL A 60 8.758 2.558 -11.104 1.00 64.21 C +ATOM 949 O VAL A 60 8.000 3.019 -10.230 1.00 42.35 O +ATOM 950 CB VAL A 60 10.689 1.014 -11.671 1.00 72.24 C +ATOM 951 CG1 VAL A 60 9.907 -0.258 -11.405 1.00 14.25 C +ATOM 952 CG2 VAL A 60 10.594 1.400 -13.137 1.00 1.31 C +ATOM 953 H VAL A 60 9.545 1.376 -8.928 1.00 22.41 H +ATOM 954 HA VAL A 60 10.828 3.039 -10.923 1.00 10.03 H +ATOM 955 HB VAL A 60 11.726 0.820 -11.437 1.00 13.33 H +ATOM 956 HG11 VAL A 60 8.860 -0.075 -11.589 1.00 37.45 H +ATOM 957 HG12 VAL A 60 10.042 -0.558 -10.377 1.00 37.45 H +ATOM 958 HG13 VAL A 60 10.255 -1.042 -12.064 1.00 37.45 H +ATOM 959 HG21 VAL A 60 9.567 1.625 -13.382 1.00 37.45 H +ATOM 960 HG22 VAL A 60 10.938 0.579 -13.749 1.00 37.45 H +ATOM 961 HG23 VAL A 60 11.206 2.270 -13.320 1.00 37.45 H +TER 962 VAL A 60 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_ASYN_1XQ8A_1XQ8A/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_ASYN_1XQ8A_1XQ8A/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..820e94afd7e567d4b553d19bee080f219ce45a4f --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_ASYN_1XQ8A_1XQ8A/state_a.pdb @@ -0,0 +1,2019 @@ +ATOM 1 N MET A 1 250.965 35.980 1.756 1.00 3.51 N +ATOM 2 CA MET A 1 250.631 34.877 0.809 1.00 2.95 C +ATOM 3 C MET A 1 249.137 34.933 0.477 1.00 1.98 C +ATOM 4 O MET A 1 248.722 34.621 -0.622 1.00 2.25 O +ATOM 5 CB MET A 1 250.966 33.522 1.452 1.00 3.46 C +ATOM 6 CG MET A 1 252.471 33.254 1.353 1.00 4.04 C +ATOM 7 SD MET A 1 253.361 34.426 2.407 1.00 4.85 S +ATOM 8 CE MET A 1 254.923 34.409 1.490 1.00 5.59 C +ATOM 9 H1 MET A 1 251.445 35.587 2.589 1.00 3.73 H +ATOM 10 H2 MET A 1 250.089 36.458 2.050 1.00 3.86 H +ATOM 11 H3 MET A 1 251.593 36.664 1.288 1.00 3.91 H +ATOM 12 HA MET A 1 251.201 35.001 -0.100 1.00 3.41 H +ATOM 13 HB2 MET A 1 250.671 33.533 2.488 1.00 3.61 H +ATOM 14 HB3 MET A 1 250.432 32.738 0.937 1.00 3.81 H +ATOM 15 HG2 MET A 1 252.679 32.245 1.681 1.00 4.25 H +ATOM 16 HG3 MET A 1 252.793 33.372 0.327 1.00 4.29 H +ATOM 17 HE1 MET A 1 255.062 33.437 1.041 1.00 5.95 H +ATOM 18 HE2 MET A 1 255.741 34.609 2.164 1.00 5.89 H +ATOM 19 HE3 MET A 1 254.898 35.169 0.719 1.00 5.77 H +ATOM 20 N ASP A 2 248.321 35.325 1.418 1.00 1.45 N +ATOM 21 CA ASP A 2 246.860 35.394 1.143 1.00 0.95 C +ATOM 22 C ASP A 2 246.615 36.397 0.013 1.00 0.90 C +ATOM 23 O ASP A 2 246.715 37.594 0.194 1.00 0.86 O +ATOM 24 CB ASP A 2 246.122 35.851 2.403 1.00 1.58 C +ATOM 25 CG ASP A 2 246.270 34.789 3.492 1.00 2.20 C +ATOM 26 OD1 ASP A 2 247.395 34.465 3.827 1.00 2.76 O +ATOM 27 OD2 ASP A 2 245.256 34.323 3.978 1.00 2.76 O +ATOM 28 H ASP A 2 248.670 35.570 2.300 1.00 1.98 H +ATOM 29 HA ASP A 2 246.503 34.419 0.846 1.00 1.27 H +ATOM 30 HB2 ASP A 2 246.543 36.782 2.749 1.00 2.05 H +ATOM 31 HB3 ASP A 2 245.078 35.990 2.177 1.00 2.06 H +ATOM 32 N VAL A 3 246.315 35.909 -1.159 1.00 0.95 N +ATOM 33 CA VAL A 3 246.085 36.822 -2.313 1.00 0.96 C +ATOM 34 C VAL A 3 245.072 37.899 -1.920 1.00 0.91 C +ATOM 35 O VAL A 3 244.919 38.896 -2.594 1.00 0.91 O +ATOM 36 CB VAL A 3 245.544 36.021 -3.498 1.00 1.07 C +ATOM 37 CG1 VAL A 3 245.317 36.957 -4.685 1.00 1.14 C +ATOM 38 CG2 VAL A 3 246.556 34.939 -3.886 1.00 1.36 C +ATOM 39 H VAL A 3 246.266 34.938 -1.285 1.00 1.01 H +ATOM 40 HA VAL A 3 247.018 37.291 -2.592 1.00 0.95 H +ATOM 41 HB VAL A 3 244.609 35.558 -3.222 1.00 1.33 H +ATOM 42 HG11 VAL A 3 246.184 37.586 -4.819 1.00 1.52 H +ATOM 43 HG12 VAL A 3 244.451 37.573 -4.497 1.00 1.71 H +ATOM 44 HG13 VAL A 3 245.156 36.373 -5.578 1.00 1.47 H +ATOM 45 HG21 VAL A 3 246.306 34.545 -4.859 1.00 1.90 H +ATOM 46 HG22 VAL A 3 246.525 34.143 -3.158 1.00 1.65 H +ATOM 47 HG23 VAL A 3 247.546 35.365 -3.912 1.00 1.70 H +ATOM 48 N PHE A 4 244.376 37.704 -0.834 1.00 0.91 N +ATOM 49 CA PHE A 4 243.374 38.718 -0.399 1.00 0.91 C +ATOM 50 C PHE A 4 244.096 39.896 0.259 1.00 0.84 C +ATOM 51 O PHE A 4 243.835 41.043 -0.045 1.00 0.85 O +ATOM 52 CB PHE A 4 242.409 38.085 0.605 1.00 0.95 C +ATOM 53 CG PHE A 4 241.536 37.072 -0.102 1.00 1.29 C +ATOM 54 CD1 PHE A 4 240.340 37.483 -0.703 1.00 2.00 C +ATOM 55 CD2 PHE A 4 241.923 35.727 -0.159 1.00 2.02 C +ATOM 56 CE1 PHE A 4 239.528 36.550 -1.361 1.00 2.63 C +ATOM 57 CE2 PHE A 4 241.114 34.796 -0.817 1.00 2.68 C +ATOM 58 CZ PHE A 4 239.915 35.205 -1.418 1.00 2.77 C +ATOM 59 H PHE A 4 244.511 36.891 -0.304 1.00 0.92 H +ATOM 60 HA PHE A 4 242.822 39.069 -1.258 1.00 0.95 H +ATOM 61 HB2 PHE A 4 242.971 37.593 1.383 1.00 1.20 H +ATOM 62 HB3 PHE A 4 241.787 38.852 1.038 1.00 1.22 H +ATOM 63 HD1 PHE A 4 240.043 38.520 -0.658 1.00 2.52 H +ATOM 64 HD2 PHE A 4 242.845 35.408 0.302 1.00 2.53 H +ATOM 65 HE1 PHE A 4 238.605 36.869 -1.827 1.00 3.38 H +ATOM 66 HE2 PHE A 4 241.412 33.762 -0.860 1.00 3.46 H +ATOM 67 HZ PHE A 4 239.291 34.483 -1.924 1.00 3.41 H +ATOM 68 N MET A 5 245.006 39.623 1.154 1.00 0.81 N +ATOM 69 CA MET A 5 245.745 40.728 1.827 1.00 0.78 C +ATOM 70 C MET A 5 246.319 41.670 0.766 1.00 0.75 C +ATOM 71 O MET A 5 246.161 42.874 0.839 1.00 0.74 O +ATOM 72 CB MET A 5 246.887 40.143 2.665 1.00 0.79 C +ATOM 73 CG MET A 5 246.334 39.584 3.979 1.00 0.86 C +ATOM 74 SD MET A 5 245.789 40.953 5.032 1.00 1.56 S +ATOM 75 CE MET A 5 244.855 39.976 6.239 1.00 1.89 C +ATOM 76 H MET A 5 245.204 38.690 1.382 1.00 0.82 H +ATOM 77 HA MET A 5 245.069 41.276 2.467 1.00 0.80 H +ATOM 78 HB2 MET A 5 247.373 39.347 2.110 1.00 0.82 H +ATOM 79 HB3 MET A 5 247.609 40.912 2.884 1.00 0.77 H +ATOM 80 HG2 MET A 5 245.498 38.933 3.774 1.00 1.20 H +ATOM 81 HG3 MET A 5 247.106 39.027 4.484 1.00 1.32 H +ATOM 82 HE1 MET A 5 243.807 39.991 5.976 1.00 2.18 H +ATOM 83 HE2 MET A 5 244.981 40.399 7.223 1.00 2.49 H +ATOM 84 HE3 MET A 5 245.216 38.956 6.238 1.00 2.24 H +ATOM 85 N LYS A 6 246.987 41.132 -0.217 1.00 0.76 N +ATOM 86 CA LYS A 6 247.572 41.993 -1.282 1.00 0.77 C +ATOM 87 C LYS A 6 246.484 42.898 -1.862 1.00 0.78 C +ATOM 88 O LYS A 6 246.600 44.108 -1.859 1.00 0.78 O +ATOM 89 CB LYS A 6 248.148 41.110 -2.391 1.00 0.82 C +ATOM 90 CG LYS A 6 249.479 40.506 -1.936 1.00 1.38 C +ATOM 91 CD LYS A 6 250.038 39.620 -3.052 1.00 1.77 C +ATOM 92 CE LYS A 6 251.429 39.117 -2.662 1.00 2.48 C +ATOM 93 NZ LYS A 6 252.413 40.228 -2.808 1.00 2.74 N +ATOM 94 H LYS A 6 247.104 40.159 -0.254 1.00 0.78 H +ATOM 95 HA LYS A 6 248.359 42.602 -0.861 1.00 0.76 H +ATOM 96 HB2 LYS A 6 247.452 40.315 -2.614 1.00 1.09 H +ATOM 97 HB3 LYS A 6 248.314 41.706 -3.278 1.00 1.21 H +ATOM 98 HG2 LYS A 6 250.182 41.300 -1.718 1.00 1.93 H +ATOM 99 HG3 LYS A 6 249.322 39.909 -1.052 1.00 1.95 H +ATOM 100 HD2 LYS A 6 249.379 38.779 -3.205 1.00 2.14 H +ATOM 101 HD3 LYS A 6 250.107 40.192 -3.965 1.00 2.15 H +ATOM 102 HE2 LYS A 6 251.416 38.780 -1.637 1.00 3.06 H +ATOM 103 HE3 LYS A 6 251.711 38.298 -3.305 1.00 2.98 H +ATOM 104 HZ1 LYS A 6 251.912 41.104 -3.056 1.00 2.91 H +ATOM 105 HZ2 LYS A 6 253.093 39.991 -3.560 1.00 3.19 H +ATOM 106 HZ3 LYS A 6 252.919 40.363 -1.911 1.00 3.05 H +ATOM 107 N GLY A 7 245.425 42.323 -2.363 1.00 0.81 N +ATOM 108 CA GLY A 7 244.331 43.152 -2.944 1.00 0.85 C +ATOM 109 C GLY A 7 243.885 44.199 -1.922 1.00 0.83 C +ATOM 110 O GLY A 7 243.463 45.283 -2.274 1.00 0.86 O +ATOM 111 H GLY A 7 245.350 41.345 -2.358 1.00 0.82 H +ATOM 112 HA2 GLY A 7 244.690 43.645 -3.835 1.00 0.87 H +ATOM 113 HA3 GLY A 7 243.491 42.516 -3.193 1.00 0.89 H +ATOM 114 N LEU A 8 243.972 43.885 -0.659 1.00 0.81 N +ATOM 115 CA LEU A 8 243.551 44.864 0.384 1.00 0.81 C +ATOM 116 C LEU A 8 244.608 45.965 0.507 1.00 0.77 C +ATOM 117 O LEU A 8 244.303 47.140 0.455 1.00 0.77 O +ATOM 118 CB LEU A 8 243.400 44.140 1.731 1.00 0.81 C +ATOM 119 CG LEU A 8 242.543 44.985 2.700 1.00 1.35 C +ATOM 120 CD1 LEU A 8 241.053 44.699 2.476 1.00 2.04 C +ATOM 121 CD2 LEU A 8 242.900 44.634 4.149 1.00 1.96 C +ATOM 122 H LEU A 8 244.314 43.005 -0.395 1.00 0.79 H +ATOM 123 HA LEU A 8 242.609 45.304 0.101 1.00 0.85 H +ATOM 124 HB2 LEU A 8 242.927 43.185 1.569 1.00 1.15 H +ATOM 125 HB3 LEU A 8 244.383 43.986 2.160 1.00 1.07 H +ATOM 126 HG LEU A 8 242.731 46.035 2.528 1.00 2.07 H +ATOM 127 HD11 LEU A 8 240.843 43.666 2.723 1.00 2.45 H +ATOM 128 HD12 LEU A 8 240.795 44.879 1.444 1.00 2.57 H +ATOM 129 HD13 LEU A 8 240.465 45.346 3.109 1.00 2.49 H +ATOM 130 HD21 LEU A 8 242.752 43.578 4.310 1.00 2.49 H +ATOM 131 HD22 LEU A 8 242.266 45.194 4.822 1.00 2.29 H +ATOM 132 HD23 LEU A 8 243.934 44.885 4.335 1.00 2.47 H +ATOM 133 N SER A 9 245.849 45.594 0.671 1.00 0.74 N +ATOM 134 CA SER A 9 246.922 46.620 0.797 1.00 0.71 C +ATOM 135 C SER A 9 247.017 47.422 -0.502 1.00 0.73 C +ATOM 136 O SER A 9 247.512 48.529 -0.524 1.00 0.71 O +ATOM 137 CB SER A 9 248.259 45.928 1.067 1.00 0.71 C +ATOM 138 OG SER A 9 249.322 46.817 0.737 1.00 1.48 O +ATOM 139 H SER A 9 246.074 44.641 0.711 1.00 0.74 H +ATOM 140 HA SER A 9 246.689 47.286 1.615 1.00 0.70 H +ATOM 141 HB2 SER A 9 248.328 45.669 2.111 1.00 1.32 H +ATOM 142 HB3 SER A 9 248.325 45.026 0.468 1.00 1.17 H +ATOM 143 HG SER A 9 249.194 47.626 1.231 1.00 1.90 H +ATOM 144 N LYS A 10 246.549 46.869 -1.587 1.00 0.77 N +ATOM 145 CA LYS A 10 246.614 47.601 -2.883 1.00 0.80 C +ATOM 146 C LYS A 10 245.547 48.697 -2.903 1.00 0.80 C +ATOM 147 O LYS A 10 245.779 49.794 -3.372 1.00 0.80 O +ATOM 148 CB LYS A 10 246.366 46.624 -4.034 1.00 0.86 C +ATOM 149 CG LYS A 10 246.575 47.342 -5.366 1.00 1.36 C +ATOM 150 CD LYS A 10 246.404 46.350 -6.517 1.00 1.79 C +ATOM 151 CE LYS A 10 246.628 47.068 -7.851 1.00 2.29 C +ATOM 152 NZ LYS A 10 248.089 47.270 -8.068 1.00 3.12 N +ATOM 153 H LYS A 10 246.155 45.972 -1.550 1.00 0.78 H +ATOM 154 HA LYS A 10 247.591 48.048 -2.994 1.00 0.79 H +ATOM 155 HB2 LYS A 10 247.054 45.794 -3.959 1.00 1.03 H +ATOM 156 HB3 LYS A 10 245.355 46.256 -3.981 1.00 1.31 H +ATOM 157 HG2 LYS A 10 245.850 48.139 -5.465 1.00 1.86 H +ATOM 158 HG3 LYS A 10 247.569 47.756 -5.397 1.00 1.91 H +ATOM 159 HD2 LYS A 10 247.122 45.554 -6.413 1.00 2.25 H +ATOM 160 HD3 LYS A 10 245.408 45.938 -6.495 1.00 2.07 H +ATOM 161 HE2 LYS A 10 246.225 46.465 -8.654 1.00 2.53 H +ATOM 162 HE3 LYS A 10 246.129 48.028 -7.837 1.00 2.57 H +ATOM 163 HZ1 LYS A 10 248.577 47.304 -7.148 1.00 3.39 H +ATOM 164 HZ2 LYS A 10 248.242 48.168 -8.576 1.00 3.59 H +ATOM 165 HZ3 LYS A 10 248.467 46.480 -8.632 1.00 3.54 H +ATOM 166 N ALA A 11 244.380 48.413 -2.394 1.00 0.82 N +ATOM 167 CA ALA A 11 243.302 49.441 -2.385 1.00 0.84 C +ATOM 168 C ALA A 11 243.698 50.587 -1.451 1.00 0.79 C +ATOM 169 O ALA A 11 243.573 51.746 -1.786 1.00 0.80 O +ATOM 170 CB ALA A 11 241.997 48.810 -1.893 1.00 0.87 C +ATOM 171 H ALA A 11 244.213 47.524 -2.017 1.00 0.82 H +ATOM 172 HA ALA A 11 243.162 49.824 -3.385 1.00 0.87 H +ATOM 173 HB1 ALA A 11 242.095 48.550 -0.851 1.00 1.31 H +ATOM 174 HB2 ALA A 11 241.790 47.917 -2.468 1.00 1.35 H +ATOM 175 HB3 ALA A 11 241.187 49.513 -2.014 1.00 1.33 H +ATOM 176 N LYS A 12 244.174 50.270 -0.277 1.00 0.74 N +ATOM 177 CA LYS A 12 244.578 51.340 0.678 1.00 0.70 C +ATOM 178 C LYS A 12 245.586 52.274 0.002 1.00 0.69 C +ATOM 179 O LYS A 12 245.625 53.461 0.273 1.00 0.68 O +ATOM 180 CB LYS A 12 245.218 50.703 1.914 1.00 0.67 C +ATOM 181 CG LYS A 12 245.457 51.782 2.979 1.00 1.28 C +ATOM 182 CD LYS A 12 246.043 51.153 4.252 1.00 1.86 C +ATOM 183 CE LYS A 12 244.946 50.436 5.054 1.00 2.50 C +ATOM 184 NZ LYS A 12 245.469 50.110 6.408 1.00 3.02 N +ATOM 185 H LYS A 12 244.266 49.328 -0.024 1.00 0.74 H +ATOM 186 HA LYS A 12 243.707 51.906 0.974 1.00 0.72 H +ATOM 187 HB2 LYS A 12 244.557 49.945 2.302 1.00 1.07 H +ATOM 188 HB3 LYS A 12 246.159 50.255 1.642 1.00 1.07 H +ATOM 189 HG2 LYS A 12 246.152 52.514 2.591 1.00 1.99 H +ATOM 190 HG3 LYS A 12 244.525 52.269 3.212 1.00 1.72 H +ATOM 191 HD2 LYS A 12 246.808 50.442 3.981 1.00 2.25 H +ATOM 192 HD3 LYS A 12 246.479 51.927 4.864 1.00 2.36 H +ATOM 193 HE2 LYS A 12 244.083 51.077 5.147 1.00 2.81 H +ATOM 194 HE3 LYS A 12 244.664 49.523 4.554 1.00 2.96 H +ATOM 195 HZ1 LYS A 12 246.382 50.585 6.550 1.00 3.28 H +ATOM 196 HZ2 LYS A 12 245.598 49.079 6.492 1.00 3.55 H +ATOM 197 HZ3 LYS A 12 244.794 50.437 7.129 1.00 3.19 H +ATOM 198 N GLU A 13 246.397 51.753 -0.878 1.00 0.69 N +ATOM 199 CA GLU A 13 247.398 52.614 -1.570 1.00 0.70 C +ATOM 200 C GLU A 13 246.672 53.631 -2.452 1.00 0.73 C +ATOM 201 O GLU A 13 247.123 54.740 -2.638 1.00 0.72 O +ATOM 202 CB GLU A 13 248.308 51.743 -2.439 1.00 0.72 C +ATOM 203 CG GLU A 13 249.388 52.614 -3.081 1.00 1.32 C +ATOM 204 CD GLU A 13 250.336 51.735 -3.896 1.00 1.84 C +ATOM 205 OE1 GLU A 13 250.293 50.531 -3.717 1.00 2.34 O +ATOM 206 OE2 GLU A 13 251.086 52.280 -4.688 1.00 2.49 O +ATOM 207 H GLU A 13 246.347 50.796 -1.084 1.00 0.71 H +ATOM 208 HA GLU A 13 247.994 53.135 -0.835 1.00 0.67 H +ATOM 209 HB2 GLU A 13 248.772 50.983 -1.826 1.00 1.06 H +ATOM 210 HB3 GLU A 13 247.720 51.270 -3.212 1.00 1.11 H +ATOM 211 HG2 GLU A 13 248.924 53.343 -3.730 1.00 1.90 H +ATOM 212 HG3 GLU A 13 249.945 53.123 -2.312 1.00 1.89 H +ATOM 213 N GLY A 14 245.547 53.258 -3.000 1.00 0.77 N +ATOM 214 CA GLY A 14 244.792 54.203 -3.870 1.00 0.81 C +ATOM 215 C GLY A 14 244.016 55.192 -2.998 1.00 0.80 C +ATOM 216 O GLY A 14 243.986 56.374 -3.264 1.00 0.80 O +ATOM 217 H GLY A 14 245.200 52.356 -2.839 1.00 0.77 H +ATOM 218 HA2 GLY A 14 245.485 54.744 -4.502 1.00 0.82 H +ATOM 219 HA3 GLY A 14 244.099 53.654 -4.484 1.00 0.85 H +ATOM 220 N VAL A 15 243.389 54.714 -1.958 1.00 0.78 N +ATOM 221 CA VAL A 15 242.617 55.628 -1.069 1.00 0.79 C +ATOM 222 C VAL A 15 243.547 56.715 -0.526 1.00 0.74 C +ATOM 223 O VAL A 15 243.170 57.863 -0.404 1.00 0.74 O +ATOM 224 CB VAL A 15 242.030 54.830 0.096 1.00 0.81 C +ATOM 225 CG1 VAL A 15 241.289 55.779 1.044 1.00 1.48 C +ATOM 226 CG2 VAL A 15 241.054 53.784 -0.446 1.00 1.40 C +ATOM 227 H VAL A 15 243.427 53.755 -1.761 1.00 0.78 H +ATOM 228 HA VAL A 15 241.817 56.086 -1.632 1.00 0.82 H +ATOM 229 HB VAL A 15 242.829 54.338 0.631 1.00 1.39 H +ATOM 230 HG11 VAL A 15 242.006 56.382 1.581 1.00 2.09 H +ATOM 231 HG12 VAL A 15 240.707 55.203 1.748 1.00 1.99 H +ATOM 232 HG13 VAL A 15 240.634 56.419 0.474 1.00 1.94 H +ATOM 233 HG21 VAL A 15 240.186 54.281 -0.854 1.00 1.93 H +ATOM 234 HG22 VAL A 15 240.751 53.127 0.355 1.00 1.90 H +ATOM 235 HG23 VAL A 15 241.537 53.208 -1.221 1.00 1.97 H +ATOM 236 N VAL A 16 244.761 56.363 -0.203 1.00 0.70 N +ATOM 237 CA VAL A 16 245.714 57.376 0.331 1.00 0.66 C +ATOM 238 C VAL A 16 246.142 58.314 -0.799 1.00 0.66 C +ATOM 239 O VAL A 16 246.127 59.522 -0.656 1.00 0.66 O +ATOM 240 CB VAL A 16 246.944 56.669 0.900 1.00 0.63 C +ATOM 241 CG1 VAL A 16 248.003 57.701 1.291 1.00 1.09 C +ATOM 242 CG2 VAL A 16 246.543 55.869 2.138 1.00 1.12 C +ATOM 243 H VAL A 16 245.046 55.431 -0.311 1.00 0.70 H +ATOM 244 HA VAL A 16 245.233 57.947 1.111 1.00 0.66 H +ATOM 245 HB VAL A 16 247.351 56.000 0.154 1.00 0.96 H +ATOM 246 HG11 VAL A 16 247.538 58.499 1.850 1.00 1.47 H +ATOM 247 HG12 VAL A 16 248.459 58.105 0.398 1.00 1.60 H +ATOM 248 HG13 VAL A 16 248.760 57.229 1.901 1.00 1.66 H +ATOM 249 HG21 VAL A 16 247.395 55.315 2.503 1.00 1.68 H +ATOM 250 HG22 VAL A 16 245.753 55.178 1.883 1.00 1.54 H +ATOM 251 HG23 VAL A 16 246.198 56.544 2.910 1.00 1.67 H +ATOM 252 N ALA A 17 246.516 57.770 -1.924 1.00 0.69 N +ATOM 253 CA ALA A 17 246.942 58.632 -3.062 1.00 0.71 C +ATOM 254 C ALA A 17 245.806 59.588 -3.428 1.00 0.74 C +ATOM 255 O ALA A 17 246.026 60.742 -3.730 1.00 0.74 O +ATOM 256 CB ALA A 17 247.279 57.753 -4.269 1.00 0.75 C +ATOM 257 H ALA A 17 246.515 56.795 -2.021 1.00 0.70 H +ATOM 258 HA ALA A 17 247.814 59.201 -2.776 1.00 0.69 H +ATOM 259 HB1 ALA A 17 248.206 57.226 -4.086 1.00 1.31 H +ATOM 260 HB2 ALA A 17 247.383 58.374 -5.148 1.00 1.22 H +ATOM 261 HB3 ALA A 17 246.484 57.039 -4.427 1.00 1.26 H +ATOM 262 N ALA A 18 244.590 59.115 -3.404 1.00 0.77 N +ATOM 263 CA ALA A 18 243.440 59.997 -3.748 1.00 0.81 C +ATOM 264 C ALA A 18 243.275 61.062 -2.662 1.00 0.79 C +ATOM 265 O ALA A 18 242.883 62.181 -2.931 1.00 0.81 O +ATOM 266 CB ALA A 18 242.163 59.160 -3.839 1.00 0.86 C +ATOM 267 H ALA A 18 244.433 58.179 -3.157 1.00 0.78 H +ATOM 268 HA ALA A 18 243.626 60.477 -4.698 1.00 0.84 H +ATOM 269 HB1 ALA A 18 241.918 58.771 -2.862 1.00 1.35 H +ATOM 270 HB2 ALA A 18 242.317 58.339 -4.524 1.00 1.22 H +ATOM 271 HB3 ALA A 18 241.353 59.778 -4.195 1.00 1.39 H +ATOM 272 N ALA A 19 243.568 60.723 -1.436 1.00 0.75 N +ATOM 273 CA ALA A 19 243.428 61.716 -0.334 1.00 0.73 C +ATOM 274 C ALA A 19 244.385 62.885 -0.576 1.00 0.71 C +ATOM 275 O ALA A 19 243.985 64.031 -0.608 1.00 0.72 O +ATOM 276 CB ALA A 19 243.765 61.048 1.000 1.00 0.70 C +ATOM 277 H ALA A 19 243.880 59.815 -1.241 1.00 0.74 H +ATOM 278 HA ALA A 19 242.412 62.083 -0.307 1.00 0.76 H +ATOM 279 HB1 ALA A 19 243.779 61.792 1.782 1.00 1.14 H +ATOM 280 HB2 ALA A 19 244.734 60.579 0.931 1.00 1.24 H +ATOM 281 HB3 ALA A 19 243.020 60.300 1.227 1.00 1.30 H +ATOM 282 N GLU A 20 245.648 62.604 -0.748 1.00 0.69 N +ATOM 283 CA GLU A 20 246.629 63.699 -0.987 1.00 0.68 C +ATOM 284 C GLU A 20 246.130 64.590 -2.126 1.00 0.71 C +ATOM 285 O GLU A 20 246.217 65.799 -2.067 1.00 0.69 O +ATOM 286 CB GLU A 20 247.984 63.097 -1.368 1.00 0.70 C +ATOM 287 CG GLU A 20 248.569 62.357 -0.163 1.00 0.69 C +ATOM 288 CD GLU A 20 249.879 61.680 -0.571 1.00 1.40 C +ATOM 289 OE1 GLU A 20 250.268 61.834 -1.720 1.00 2.07 O +ATOM 290 OE2 GLU A 20 250.469 61.017 0.269 1.00 2.14 O +ATOM 291 H GLU A 20 245.951 61.672 -0.720 1.00 0.69 H +ATOM 292 HA GLU A 20 246.737 64.289 -0.089 1.00 0.66 H +ATOM 293 HB2 GLU A 20 247.853 62.405 -2.187 1.00 0.73 H +ATOM 294 HB3 GLU A 20 248.659 63.886 -1.666 1.00 0.71 H +ATOM 295 HG2 GLU A 20 248.759 63.060 0.635 1.00 1.13 H +ATOM 296 HG3 GLU A 20 247.868 61.609 0.175 1.00 1.12 H +ATOM 297 N LYS A 21 245.605 64.000 -3.165 1.00 0.78 N +ATOM 298 CA LYS A 21 245.101 64.811 -4.308 1.00 0.82 C +ATOM 299 C LYS A 21 243.825 65.546 -3.890 1.00 0.82 C +ATOM 300 O LYS A 21 243.731 66.754 -3.986 1.00 0.83 O +ATOM 301 CB LYS A 21 244.794 63.890 -5.490 1.00 0.90 C +ATOM 302 CG LYS A 21 244.708 64.710 -6.782 1.00 1.54 C +ATOM 303 CD LYS A 21 244.539 63.764 -7.970 1.00 1.81 C +ATOM 304 CE LYS A 21 244.476 64.575 -9.265 1.00 2.16 C +ATOM 305 NZ LYS A 21 244.345 63.646 -10.425 1.00 2.60 N +ATOM 306 H LYS A 21 245.544 63.022 -3.194 1.00 0.80 H +ATOM 307 HA LYS A 21 245.852 65.530 -4.598 1.00 0.81 H +ATOM 308 HB2 LYS A 21 245.582 63.157 -5.584 1.00 1.10 H +ATOM 309 HB3 LYS A 21 243.853 63.386 -5.324 1.00 1.41 H +ATOM 310 HG2 LYS A 21 243.861 65.377 -6.730 1.00 2.25 H +ATOM 311 HG3 LYS A 21 245.614 65.285 -6.907 1.00 1.91 H +ATOM 312 HD2 LYS A 21 245.377 63.084 -8.011 1.00 2.10 H +ATOM 313 HD3 LYS A 21 243.626 63.201 -7.856 1.00 2.39 H +ATOM 314 HE2 LYS A 21 243.624 65.236 -9.234 1.00 2.62 H +ATOM 315 HE3 LYS A 21 245.380 65.158 -9.368 1.00 2.60 H +ATOM 316 HZ1 LYS A 21 243.347 63.378 -10.543 1.00 3.06 H +ATOM 317 HZ2 LYS A 21 244.918 62.795 -10.252 1.00 2.89 H +ATOM 318 HZ3 LYS A 21 244.680 64.116 -11.287 1.00 2.93 H +ATOM 319 N THR A 22 242.837 64.828 -3.432 1.00 0.83 N +ATOM 320 CA THR A 22 241.570 65.488 -3.011 1.00 0.86 C +ATOM 321 C THR A 22 241.875 66.541 -1.943 1.00 0.82 C +ATOM 322 O THR A 22 241.228 67.564 -1.863 1.00 0.85 O +ATOM 323 CB THR A 22 240.614 64.439 -2.437 1.00 0.88 C +ATOM 324 OG1 THR A 22 240.545 63.332 -3.321 1.00 1.55 O +ATOM 325 CG2 THR A 22 239.221 65.053 -2.265 1.00 1.10 C +ATOM 326 H THR A 22 242.928 63.854 -3.366 1.00 0.83 H +ATOM 327 HA THR A 22 241.111 65.964 -3.865 1.00 0.90 H +ATOM 328 HB THR A 22 240.976 64.113 -1.477 1.00 1.36 H +ATOM 329 HG1 THR A 22 239.647 63.270 -3.654 1.00 1.97 H +ATOM 330 HG21 THR A 22 239.254 65.799 -1.485 1.00 1.64 H +ATOM 331 HG22 THR A 22 238.519 64.277 -1.994 1.00 1.70 H +ATOM 332 HG23 THR A 22 238.913 65.509 -3.195 1.00 1.59 H +ATOM 333 N LYS A 23 242.859 66.298 -1.121 1.00 0.77 N +ATOM 334 CA LYS A 23 243.207 67.286 -0.061 1.00 0.76 C +ATOM 335 C LYS A 23 243.887 68.498 -0.700 1.00 0.75 C +ATOM 336 O LYS A 23 243.809 69.603 -0.198 1.00 0.76 O +ATOM 337 CB LYS A 23 244.159 66.638 0.946 1.00 0.75 C +ATOM 338 CG LYS A 23 244.407 67.612 2.099 1.00 1.25 C +ATOM 339 CD LYS A 23 245.316 66.958 3.140 1.00 1.63 C +ATOM 340 CE LYS A 23 245.546 67.933 4.298 1.00 2.38 C +ATOM 341 NZ LYS A 23 246.414 67.292 5.324 1.00 2.87 N +ATOM 342 H LYS A 23 243.370 65.466 -1.202 1.00 0.75 H +ATOM 343 HA LYS A 23 242.307 67.603 0.446 1.00 0.78 H +ATOM 344 HB2 LYS A 23 243.717 65.730 1.327 1.00 1.15 H +ATOM 345 HB3 LYS A 23 245.098 66.410 0.461 1.00 1.16 H +ATOM 346 HG2 LYS A 23 244.882 68.505 1.717 1.00 1.93 H +ATOM 347 HG3 LYS A 23 243.465 67.872 2.561 1.00 1.83 H +ATOM 348 HD2 LYS A 23 244.847 66.058 3.513 1.00 2.05 H +ATOM 349 HD3 LYS A 23 246.263 66.711 2.687 1.00 2.06 H +ATOM 350 HE2 LYS A 23 246.027 68.827 3.928 1.00 2.79 H +ATOM 351 HE3 LYS A 23 244.596 68.193 4.741 1.00 2.92 H +ATOM 352 HZ1 LYS A 23 247.411 67.515 5.125 1.00 3.02 H +ATOM 353 HZ2 LYS A 23 246.276 66.261 5.300 1.00 3.31 H +ATOM 354 HZ3 LYS A 23 246.163 67.655 6.264 1.00 3.27 H +ATOM 355 N GLN A 24 244.560 68.299 -1.801 1.00 0.75 N +ATOM 356 CA GLN A 24 245.247 69.438 -2.475 1.00 0.77 C +ATOM 357 C GLN A 24 244.241 70.199 -3.342 1.00 0.78 C +ATOM 358 O GLN A 24 244.418 71.364 -3.636 1.00 0.78 O +ATOM 359 CB GLN A 24 246.374 68.900 -3.359 1.00 0.81 C +ATOM 360 CG GLN A 24 247.169 70.069 -3.937 1.00 1.22 C +ATOM 361 CD GLN A 24 248.358 69.537 -4.735 1.00 1.62 C +ATOM 362 OE1 GLN A 24 248.727 68.385 -4.605 1.00 1.90 O +ATOM 363 NE2 GLN A 24 248.986 70.338 -5.554 1.00 2.51 N +ATOM 364 H GLN A 24 244.613 67.400 -2.186 1.00 0.76 H +ATOM 365 HA GLN A 24 245.659 70.104 -1.731 1.00 0.76 H +ATOM 366 HB2 GLN A 24 247.029 68.276 -2.767 1.00 1.23 H +ATOM 367 HB3 GLN A 24 245.954 68.320 -4.165 1.00 1.44 H +ATOM 368 HG2 GLN A 24 246.534 70.653 -4.585 1.00 1.91 H +ATOM 369 HG3 GLN A 24 247.531 70.687 -3.134 1.00 1.81 H +ATOM 370 HE21 GLN A 24 248.693 71.268 -5.648 1.00 2.95 H +ATOM 371 HE22 GLN A 24 249.748 70.009 -6.075 1.00 3.00 H +ATOM 372 N GLY A 25 243.188 69.548 -3.755 1.00 0.81 N +ATOM 373 CA GLY A 25 242.173 70.234 -4.603 1.00 0.85 C +ATOM 374 C GLY A 25 241.392 71.239 -3.754 1.00 0.85 C +ATOM 375 O GLY A 25 241.241 72.391 -4.118 1.00 0.87 O +ATOM 376 H GLY A 25 243.066 68.608 -3.509 1.00 0.82 H +ATOM 377 HA2 GLY A 25 242.667 70.754 -5.408 1.00 0.87 H +ATOM 378 HA3 GLY A 25 241.488 69.504 -5.008 1.00 0.89 H +ATOM 379 N VAL A 26 240.898 70.816 -2.623 1.00 0.83 N +ATOM 380 CA VAL A 26 240.129 71.749 -1.752 1.00 0.85 C +ATOM 381 C VAL A 26 241.026 72.919 -1.343 1.00 0.81 C +ATOM 382 O VAL A 26 240.572 74.034 -1.178 1.00 0.83 O +ATOM 383 CB VAL A 26 239.659 71.005 -0.500 1.00 0.87 C +ATOM 384 CG1 VAL A 26 238.609 69.962 -0.892 1.00 0.92 C +ATOM 385 CG2 VAL A 26 240.849 70.303 0.152 1.00 0.82 C +ATOM 386 H VAL A 26 241.033 69.886 -2.346 1.00 0.82 H +ATOM 387 HA VAL A 26 239.272 72.123 -2.292 1.00 0.89 H +ATOM 388 HB VAL A 26 239.226 71.709 0.196 1.00 0.89 H +ATOM 389 HG11 VAL A 26 237.804 70.446 -1.424 1.00 1.45 H +ATOM 390 HG12 VAL A 26 238.221 69.492 -0.003 1.00 1.35 H +ATOM 391 HG13 VAL A 26 239.061 69.215 -1.527 1.00 1.24 H +ATOM 392 HG21 VAL A 26 241.289 69.610 -0.549 1.00 1.39 H +ATOM 393 HG22 VAL A 26 240.512 69.762 1.026 1.00 1.24 H +ATOM 394 HG23 VAL A 26 241.586 71.035 0.446 1.00 1.22 H +ATOM 395 N ALA A 27 242.297 72.673 -1.178 1.00 0.77 N +ATOM 396 CA ALA A 27 243.222 73.771 -0.780 1.00 0.76 C +ATOM 397 C ALA A 27 243.146 74.901 -1.808 1.00 0.76 C +ATOM 398 O ALA A 27 242.914 76.043 -1.470 1.00 0.76 O +ATOM 399 CB ALA A 27 244.653 73.233 -0.719 1.00 0.75 C +ATOM 400 H ALA A 27 242.642 71.767 -1.315 1.00 0.77 H +ATOM 401 HA ALA A 27 242.938 74.148 0.192 1.00 0.77 H +ATOM 402 HB1 ALA A 27 244.843 72.620 -1.585 1.00 1.10 H +ATOM 403 HB2 ALA A 27 244.777 72.644 0.176 1.00 1.10 H +ATOM 404 HB3 ALA A 27 245.350 74.057 -0.703 1.00 1.26 H +ATOM 405 N GLU A 28 243.341 74.590 -3.061 1.00 0.78 N +ATOM 406 CA GLU A 28 243.279 75.647 -4.109 1.00 0.80 C +ATOM 407 C GLU A 28 241.845 76.168 -4.223 1.00 0.82 C +ATOM 408 O GLU A 28 241.615 77.344 -4.436 1.00 0.83 O +ATOM 409 CB GLU A 28 243.717 75.060 -5.452 1.00 0.86 C +ATOM 410 CG GLU A 28 245.205 74.707 -5.400 1.00 0.96 C +ATOM 411 CD GLU A 28 245.618 74.036 -6.709 1.00 1.48 C +ATOM 412 OE1 GLU A 28 244.769 73.906 -7.577 1.00 2.12 O +ATOM 413 OE2 GLU A 28 246.772 73.666 -6.823 1.00 2.23 O +ATOM 414 H GLU A 28 243.528 73.662 -3.312 1.00 0.79 H +ATOM 415 HA GLU A 28 243.937 76.460 -3.840 1.00 0.79 H +ATOM 416 HB2 GLU A 28 243.144 74.168 -5.659 1.00 0.87 H +ATOM 417 HB3 GLU A 28 243.550 75.787 -6.232 1.00 0.87 H +ATOM 418 HG2 GLU A 28 245.781 75.609 -5.260 1.00 1.37 H +ATOM 419 HG3 GLU A 28 245.384 74.034 -4.578 1.00 1.57 H +ATOM 420 N ALA A 29 240.877 75.304 -4.085 1.00 0.84 N +ATOM 421 CA ALA A 29 239.459 75.752 -4.185 1.00 0.90 C +ATOM 422 C ALA A 29 239.180 76.805 -3.112 1.00 0.89 C +ATOM 423 O ALA A 29 238.546 77.810 -3.364 1.00 0.92 O +ATOM 424 CB ALA A 29 238.530 74.554 -3.978 1.00 0.96 C +ATOM 425 H ALA A 29 241.082 74.361 -3.914 1.00 0.84 H +ATOM 426 HA ALA A 29 239.284 76.178 -5.162 1.00 0.92 H +ATOM 427 HB1 ALA A 29 238.883 73.720 -4.566 1.00 1.34 H +ATOM 428 HB2 ALA A 29 237.530 74.815 -4.290 1.00 1.56 H +ATOM 429 HB3 ALA A 29 238.522 74.281 -2.934 1.00 1.28 H +ATOM 430 N ALA A 30 239.649 76.584 -1.915 1.00 0.88 N +ATOM 431 CA ALA A 30 239.411 77.574 -0.827 1.00 0.92 C +ATOM 432 C ALA A 30 239.882 78.956 -1.284 1.00 0.91 C +ATOM 433 O ALA A 30 239.115 79.898 -1.334 1.00 0.95 O +ATOM 434 CB ALA A 30 240.192 77.157 0.422 1.00 0.95 C +ATOM 435 H ALA A 30 240.159 75.768 -1.731 1.00 0.87 H +ATOM 436 HA ALA A 30 238.356 77.610 -0.597 1.00 0.96 H +ATOM 437 HB1 ALA A 30 241.230 77.007 0.162 1.00 1.41 H +ATOM 438 HB2 ALA A 30 239.780 76.240 0.812 1.00 1.36 H +ATOM 439 HB3 ALA A 30 240.116 77.933 1.172 1.00 1.41 H +ATOM 440 N GLY A 31 241.138 79.086 -1.612 1.00 0.88 N +ATOM 441 CA GLY A 31 241.659 80.407 -2.064 1.00 0.91 C +ATOM 442 C GLY A 31 240.901 80.860 -3.313 1.00 0.90 C +ATOM 443 O GLY A 31 240.775 82.037 -3.580 1.00 0.94 O +ATOM 444 H GLY A 31 241.740 78.314 -1.559 1.00 0.86 H +ATOM 445 HA2 GLY A 31 241.523 81.135 -1.276 1.00 0.94 H +ATOM 446 HA3 GLY A 31 242.707 80.320 -2.297 1.00 0.94 H +ATOM 447 N LYS A 32 240.398 79.935 -4.084 1.00 0.89 N +ATOM 448 CA LYS A 32 239.650 80.320 -5.314 1.00 0.92 C +ATOM 449 C LYS A 32 238.311 80.947 -4.916 1.00 0.94 C +ATOM 450 O LYS A 32 237.913 81.970 -5.437 1.00 0.96 O +ATOM 451 CB LYS A 32 239.409 79.073 -6.178 1.00 0.95 C +ATOM 452 CG LYS A 32 239.072 79.498 -7.611 1.00 1.41 C +ATOM 453 CD LYS A 32 238.972 78.259 -8.502 1.00 1.79 C +ATOM 454 CE LYS A 32 238.767 78.690 -9.957 1.00 2.48 C +ATOM 455 NZ LYS A 32 237.481 79.433 -10.082 1.00 3.13 N +ATOM 456 H LYS A 32 240.512 78.989 -3.855 1.00 0.89 H +ATOM 457 HA LYS A 32 240.231 81.040 -5.872 1.00 0.95 H +ATOM 458 HB2 LYS A 32 240.298 78.461 -6.185 1.00 1.18 H +ATOM 459 HB3 LYS A 32 238.589 78.505 -5.772 1.00 1.37 H +ATOM 460 HG2 LYS A 32 238.129 80.025 -7.616 1.00 2.02 H +ATOM 461 HG3 LYS A 32 239.849 80.144 -7.987 1.00 1.87 H +ATOM 462 HD2 LYS A 32 239.885 77.685 -8.422 1.00 2.12 H +ATOM 463 HD3 LYS A 32 238.134 77.654 -8.185 1.00 2.22 H +ATOM 464 HE2 LYS A 32 239.583 79.327 -10.262 1.00 2.80 H +ATOM 465 HE3 LYS A 32 238.739 77.814 -10.589 1.00 2.97 H +ATOM 466 HZ1 LYS A 32 237.549 80.117 -10.863 1.00 3.60 H +ATOM 467 HZ2 LYS A 32 237.281 79.936 -9.194 1.00 3.55 H +ATOM 468 HZ3 LYS A 32 236.713 78.761 -10.282 1.00 3.28 H +ATOM 469 N THR A 33 237.616 80.345 -3.989 1.00 0.97 N +ATOM 470 CA THR A 33 236.308 80.910 -3.552 1.00 1.03 C +ATOM 471 C THR A 33 236.547 82.264 -2.882 1.00 1.03 C +ATOM 472 O THR A 33 235.669 83.102 -2.819 1.00 1.07 O +ATOM 473 CB THR A 33 235.647 79.957 -2.554 1.00 1.12 C +ATOM 474 OG1 THR A 33 235.622 78.649 -3.099 1.00 1.47 O +ATOM 475 CG2 THR A 33 234.218 80.421 -2.270 1.00 1.69 C +ATOM 476 H THR A 33 237.957 79.524 -3.577 1.00 0.97 H +ATOM 477 HA THR A 33 235.665 81.039 -4.410 1.00 1.05 H +ATOM 478 HB THR A 33 236.207 79.952 -1.635 1.00 1.32 H +ATOM 479 HG1 THR A 33 236.519 78.413 -3.351 1.00 1.90 H +ATOM 480 HG21 THR A 33 233.701 79.665 -1.699 1.00 2.17 H +ATOM 481 HG22 THR A 33 233.699 80.586 -3.203 1.00 2.02 H +ATOM 482 HG23 THR A 33 234.244 81.343 -1.705 1.00 2.18 H +ATOM 483 N LYS A 34 237.733 82.480 -2.382 1.00 1.04 N +ATOM 484 CA LYS A 34 238.042 83.775 -1.713 1.00 1.11 C +ATOM 485 C LYS A 34 237.940 84.913 -2.734 1.00 1.08 C +ATOM 486 O LYS A 34 237.502 86.001 -2.427 1.00 1.11 O +ATOM 487 CB LYS A 34 239.464 83.717 -1.143 1.00 1.19 C +ATOM 488 CG LYS A 34 239.651 84.817 -0.095 1.00 1.78 C +ATOM 489 CD LYS A 34 241.034 84.681 0.544 1.00 2.13 C +ATOM 490 CE LYS A 34 241.239 85.799 1.570 1.00 2.87 C +ATOM 491 NZ LYS A 34 240.283 85.617 2.702 1.00 3.37 N +ATOM 492 H LYS A 34 238.423 81.788 -2.446 1.00 1.02 H +ATOM 493 HA LYS A 34 237.337 83.944 -0.912 1.00 1.17 H +ATOM 494 HB2 LYS A 34 239.625 82.751 -0.682 1.00 1.54 H +ATOM 495 HB3 LYS A 34 240.179 83.857 -1.940 1.00 1.52 H +ATOM 496 HG2 LYS A 34 239.565 85.783 -0.568 1.00 2.32 H +ATOM 497 HG3 LYS A 34 238.897 84.721 0.667 1.00 2.30 H +ATOM 498 HD2 LYS A 34 241.112 83.721 1.033 1.00 2.52 H +ATOM 499 HD3 LYS A 34 241.793 84.756 -0.224 1.00 2.28 H +ATOM 500 HE2 LYS A 34 242.252 85.762 1.944 1.00 3.18 H +ATOM 501 HE3 LYS A 34 241.062 86.754 1.100 1.00 3.40 H +ATOM 502 HZ1 LYS A 34 240.213 86.505 3.241 1.00 3.79 H +ATOM 503 HZ2 LYS A 34 240.625 84.858 3.325 1.00 3.60 H +ATOM 504 HZ3 LYS A 34 239.347 85.364 2.328 1.00 3.65 H +ATOM 505 N GLU A 35 238.353 84.668 -3.948 1.00 1.06 N +ATOM 506 CA GLU A 35 238.286 85.729 -4.991 1.00 1.12 C +ATOM 507 C GLU A 35 236.867 85.798 -5.562 1.00 1.07 C +ATOM 508 O GLU A 35 236.469 86.792 -6.142 1.00 1.09 O +ATOM 509 CB GLU A 35 239.272 85.397 -6.114 1.00 1.21 C +ATOM 510 CG GLU A 35 239.250 86.501 -7.176 1.00 1.69 C +ATOM 511 CD GLU A 35 240.279 86.182 -8.264 1.00 2.36 C +ATOM 512 OE1 GLU A 35 239.986 85.351 -9.107 1.00 2.87 O +ATOM 513 OE2 GLU A 35 241.344 86.776 -8.235 1.00 3.03 O +ATOM 514 H GLU A 35 238.710 83.783 -4.173 1.00 1.05 H +ATOM 515 HA GLU A 35 238.545 86.682 -4.554 1.00 1.20 H +ATOM 516 HB2 GLU A 35 240.267 85.311 -5.703 1.00 1.59 H +ATOM 517 HB3 GLU A 35 238.990 84.457 -6.569 1.00 1.43 H +ATOM 518 HG2 GLU A 35 238.269 86.563 -7.620 1.00 2.24 H +ATOM 519 HG3 GLU A 35 239.498 87.445 -6.718 1.00 2.06 H +ATOM 520 N GLY A 36 236.103 84.753 -5.406 1.00 1.07 N +ATOM 521 CA GLY A 36 234.713 84.760 -5.944 1.00 1.13 C +ATOM 522 C GLY A 36 233.936 85.937 -5.351 1.00 1.13 C +ATOM 523 O GLY A 36 233.416 86.769 -6.062 1.00 1.19 O +ATOM 524 H GLY A 36 236.443 83.962 -4.938 1.00 1.09 H +ATOM 525 HA2 GLY A 36 234.747 84.855 -7.019 1.00 1.18 H +ATOM 526 HA3 GLY A 36 234.220 83.837 -5.677 1.00 1.19 H +ATOM 527 N VAL A 37 233.850 86.010 -4.051 1.00 1.15 N +ATOM 528 CA VAL A 37 233.103 87.132 -3.415 1.00 1.25 C +ATOM 529 C VAL A 37 233.694 88.467 -3.873 1.00 1.15 C +ATOM 530 O VAL A 37 233.004 89.460 -3.972 1.00 1.22 O +ATOM 531 CB VAL A 37 233.215 87.020 -1.894 1.00 1.42 C +ATOM 532 CG1 VAL A 37 232.559 85.719 -1.430 1.00 2.05 C +ATOM 533 CG2 VAL A 37 234.691 87.019 -1.488 1.00 1.72 C +ATOM 534 H VAL A 37 234.276 85.326 -3.493 1.00 1.15 H +ATOM 535 HA VAL A 37 232.064 87.081 -3.703 1.00 1.35 H +ATOM 536 HB VAL A 37 232.712 87.861 -1.434 1.00 1.89 H +ATOM 537 HG11 VAL A 37 232.431 85.744 -0.359 1.00 2.45 H +ATOM 538 HG12 VAL A 37 233.189 84.882 -1.697 1.00 2.35 H +ATOM 539 HG13 VAL A 37 231.596 85.613 -1.906 1.00 2.66 H +ATOM 540 HG21 VAL A 37 235.144 87.956 -1.770 1.00 2.26 H +ATOM 541 HG22 VAL A 37 235.201 86.210 -1.988 1.00 2.23 H +ATOM 542 HG23 VAL A 37 234.769 86.890 -0.420 1.00 1.96 H +ATOM 543 N LEU A 38 234.969 88.499 -4.154 1.00 1.05 N +ATOM 544 CA LEU A 38 235.608 89.771 -4.604 1.00 1.02 C +ATOM 545 C LEU A 38 235.442 89.915 -6.121 1.00 0.91 C +ATOM 546 O LEU A 38 235.911 89.095 -6.885 1.00 0.86 O +ATOM 547 CB LEU A 38 237.103 89.742 -4.250 1.00 1.08 C +ATOM 548 CG LEU A 38 237.738 91.126 -4.490 1.00 1.63 C +ATOM 549 CD1 LEU A 38 237.469 92.056 -3.294 1.00 2.30 C +ATOM 550 CD2 LEU A 38 239.253 90.971 -4.669 1.00 2.37 C +ATOM 551 H LEU A 38 235.509 87.686 -4.068 1.00 1.05 H +ATOM 552 HA LEU A 38 235.136 90.608 -4.112 1.00 1.09 H +ATOM 553 HB2 LEU A 38 237.220 89.459 -3.211 1.00 1.39 H +ATOM 554 HB3 LEU A 38 237.597 89.009 -4.872 1.00 1.33 H +ATOM 555 HG LEU A 38 237.316 91.565 -5.381 1.00 2.16 H +ATOM 556 HD11 LEU A 38 236.427 92.326 -3.263 1.00 2.81 H +ATOM 557 HD12 LEU A 38 238.066 92.950 -3.399 1.00 2.71 H +ATOM 558 HD13 LEU A 38 237.740 91.555 -2.372 1.00 2.69 H +ATOM 559 HD21 LEU A 38 239.637 90.309 -3.909 1.00 2.81 H +ATOM 560 HD22 LEU A 38 239.729 91.936 -4.581 1.00 2.74 H +ATOM 561 HD23 LEU A 38 239.456 90.555 -5.646 1.00 2.90 H +ATOM 562 N TYR A 39 234.787 90.954 -6.563 1.00 0.93 N +ATOM 563 CA TYR A 39 234.600 91.145 -8.029 1.00 0.89 C +ATOM 564 C TYR A 39 235.964 91.427 -8.673 1.00 0.86 C +ATOM 565 O TYR A 39 236.909 91.807 -8.012 1.00 0.99 O +ATOM 566 CB TYR A 39 233.639 92.333 -8.274 1.00 1.01 C +ATOM 567 CG TYR A 39 232.210 91.865 -8.113 1.00 1.47 C +ATOM 568 CD1 TYR A 39 231.607 91.855 -6.851 1.00 2.17 C +ATOM 569 CD2 TYR A 39 231.491 91.438 -9.235 1.00 2.41 C +ATOM 570 CE1 TYR A 39 230.284 91.417 -6.713 1.00 3.18 C +ATOM 571 CE2 TYR A 39 230.170 91.000 -9.096 1.00 3.42 C +ATOM 572 CZ TYR A 39 229.565 90.988 -7.836 1.00 3.67 C +ATOM 573 OH TYR A 39 228.262 90.553 -7.700 1.00 4.83 O +ATOM 574 H TYR A 39 234.422 91.609 -5.932 1.00 1.02 H +ATOM 575 HA TYR A 39 234.190 90.241 -8.457 1.00 0.90 H +ATOM 576 HB2 TYR A 39 233.843 93.115 -7.556 1.00 1.49 H +ATOM 577 HB3 TYR A 39 233.782 92.714 -9.276 1.00 1.54 H +ATOM 578 HD1 TYR A 39 232.157 92.187 -5.985 1.00 2.47 H +ATOM 579 HD2 TYR A 39 231.956 91.447 -10.209 1.00 2.76 H +ATOM 580 HE1 TYR A 39 229.819 91.408 -5.741 1.00 3.91 H +ATOM 581 HE2 TYR A 39 229.616 90.671 -9.962 1.00 4.29 H +ATOM 582 HH TYR A 39 227.925 90.352 -8.575 1.00 5.05 H +ATOM 583 N VAL A 40 236.065 91.244 -9.964 1.00 0.81 N +ATOM 584 CA VAL A 40 237.357 91.500 -10.667 1.00 0.89 C +ATOM 585 C VAL A 40 237.062 92.042 -12.068 1.00 0.81 C +ATOM 586 O VAL A 40 236.938 91.297 -13.021 1.00 0.77 O +ATOM 587 CB VAL A 40 238.148 90.194 -10.779 1.00 1.03 C +ATOM 588 CG1 VAL A 40 239.598 90.498 -11.162 1.00 1.54 C +ATOM 589 CG2 VAL A 40 238.120 89.465 -9.435 1.00 1.92 C +ATOM 590 H VAL A 40 235.285 90.940 -10.474 1.00 0.80 H +ATOM 591 HA VAL A 40 237.937 92.229 -10.116 1.00 1.02 H +ATOM 592 HB VAL A 40 237.701 89.569 -11.537 1.00 1.26 H +ATOM 593 HG11 VAL A 40 239.613 91.235 -11.951 1.00 2.17 H +ATOM 594 HG12 VAL A 40 240.076 89.590 -11.505 1.00 1.98 H +ATOM 595 HG13 VAL A 40 240.126 90.877 -10.302 1.00 1.96 H +ATOM 596 HG21 VAL A 40 238.777 88.610 -9.476 1.00 2.46 H +ATOM 597 HG22 VAL A 40 237.112 89.136 -9.226 1.00 2.31 H +ATOM 598 HG23 VAL A 40 238.448 90.135 -8.654 1.00 2.42 H +ATOM 599 N GLY A 41 236.944 93.336 -12.198 1.00 0.84 N +ATOM 600 CA GLY A 41 236.650 93.934 -13.533 1.00 0.81 C +ATOM 601 C GLY A 41 237.594 93.354 -14.590 1.00 0.80 C +ATOM 602 O GLY A 41 237.417 93.567 -15.772 1.00 0.83 O +ATOM 603 H GLY A 41 237.043 93.916 -11.414 1.00 0.91 H +ATOM 604 HA2 GLY A 41 235.626 93.715 -13.805 1.00 0.77 H +ATOM 605 HA3 GLY A 41 236.788 95.003 -13.484 1.00 0.88 H +ATOM 606 N SER A 42 238.597 92.625 -14.180 1.00 0.79 N +ATOM 607 CA SER A 42 239.545 92.040 -15.171 1.00 0.81 C +ATOM 608 C SER A 42 238.938 90.770 -15.776 1.00 0.78 C +ATOM 609 O SER A 42 238.948 90.578 -16.973 1.00 0.81 O +ATOM 610 CB SER A 42 240.866 91.698 -14.476 1.00 0.87 C +ATOM 611 OG SER A 42 241.887 91.563 -15.455 1.00 1.67 O +ATOM 612 H SER A 42 238.727 92.465 -13.222 1.00 0.79 H +ATOM 613 HA SER A 42 239.730 92.757 -15.958 1.00 0.83 H +ATOM 614 HB2 SER A 42 241.132 92.486 -13.795 1.00 1.33 H +ATOM 615 HB3 SER A 42 240.757 90.769 -13.927 1.00 1.17 H +ATOM 616 HG SER A 42 241.969 92.403 -15.913 1.00 2.13 H +ATOM 617 N LYS A 43 238.407 89.901 -14.956 1.00 0.81 N +ATOM 618 CA LYS A 43 237.800 88.643 -15.487 1.00 0.83 C +ATOM 619 C LYS A 43 236.346 88.906 -15.889 1.00 0.70 C +ATOM 620 O LYS A 43 235.428 88.649 -15.135 1.00 0.85 O +ATOM 621 CB LYS A 43 237.839 87.559 -14.406 1.00 1.11 C +ATOM 622 CG LYS A 43 237.363 86.230 -15.008 1.00 1.69 C +ATOM 623 CD LYS A 43 237.489 85.099 -13.964 1.00 2.28 C +ATOM 624 CE LYS A 43 238.894 84.476 -13.994 1.00 2.80 C +ATOM 625 NZ LYS A 43 239.864 85.398 -13.336 1.00 3.35 N +ATOM 626 H LYS A 43 238.407 90.074 -13.991 1.00 0.86 H +ATOM 627 HA LYS A 43 238.357 88.309 -16.350 1.00 0.84 H +ATOM 628 HB2 LYS A 43 238.850 87.452 -14.045 1.00 1.36 H +ATOM 629 HB3 LYS A 43 237.188 87.837 -13.589 1.00 1.61 H +ATOM 630 HG2 LYS A 43 236.329 86.330 -15.305 1.00 2.21 H +ATOM 631 HG3 LYS A 43 237.957 85.998 -15.877 1.00 2.03 H +ATOM 632 HD2 LYS A 43 237.296 85.492 -12.976 1.00 2.63 H +ATOM 633 HD3 LYS A 43 236.761 84.331 -14.184 1.00 2.73 H +ATOM 634 HE2 LYS A 43 238.879 83.537 -13.458 1.00 3.07 H +ATOM 635 HE3 LYS A 43 239.200 84.298 -15.014 1.00 3.26 H +ATOM 636 HZ1 LYS A 43 240.263 86.042 -14.047 1.00 3.64 H +ATOM 637 HZ2 LYS A 43 240.628 84.843 -12.900 1.00 3.68 H +ATOM 638 HZ3 LYS A 43 239.379 85.951 -12.604 1.00 3.72 H +ATOM 639 N THR A 44 236.130 89.413 -17.074 1.00 0.56 N +ATOM 640 CA THR A 44 234.736 89.693 -17.533 1.00 0.61 C +ATOM 641 C THR A 44 234.188 88.469 -18.272 1.00 0.60 C +ATOM 642 O THR A 44 234.923 87.571 -18.635 1.00 0.57 O +ATOM 643 CB THR A 44 234.747 90.897 -18.480 1.00 0.69 C +ATOM 644 OG1 THR A 44 235.267 92.027 -17.795 1.00 0.72 O +ATOM 645 CG2 THR A 44 233.323 91.199 -18.954 1.00 0.93 C +ATOM 646 H THR A 44 236.887 89.610 -17.666 1.00 0.57 H +ATOM 647 HA THR A 44 234.107 89.911 -16.681 1.00 0.73 H +ATOM 648 HB THR A 44 235.368 90.678 -19.335 1.00 0.69 H +ATOM 649 HG1 THR A 44 235.583 92.654 -18.451 1.00 0.75 H +ATOM 650 HG21 THR A 44 233.283 92.200 -19.356 1.00 1.40 H +ATOM 651 HG22 THR A 44 232.641 91.118 -18.120 1.00 1.34 H +ATOM 652 HG23 THR A 44 233.040 90.492 -19.719 1.00 1.41 H +ATOM 653 N LYS A 45 232.902 88.424 -18.492 1.00 0.66 N +ATOM 654 CA LYS A 45 232.309 87.258 -19.206 1.00 0.69 C +ATOM 655 C LYS A 45 233.092 86.996 -20.495 1.00 0.65 C +ATOM 656 O LYS A 45 233.601 85.913 -20.715 1.00 0.62 O +ATOM 657 CB LYS A 45 230.849 87.560 -19.552 1.00 0.81 C +ATOM 658 CG LYS A 45 230.102 87.962 -18.276 1.00 1.45 C +ATOM 659 CD LYS A 45 228.645 88.281 -18.612 1.00 1.58 C +ATOM 660 CE LYS A 45 227.956 88.860 -17.375 1.00 2.07 C +ATOM 661 NZ LYS A 45 228.080 87.902 -16.240 1.00 2.83 N +ATOM 662 H LYS A 45 232.327 89.156 -18.187 1.00 0.70 H +ATOM 663 HA LYS A 45 232.355 86.385 -18.572 1.00 0.69 H +ATOM 664 HB2 LYS A 45 230.807 88.370 -20.266 1.00 1.33 H +ATOM 665 HB3 LYS A 45 230.388 86.680 -19.974 1.00 1.27 H +ATOM 666 HG2 LYS A 45 230.138 87.148 -17.565 1.00 2.08 H +ATOM 667 HG3 LYS A 45 230.570 88.835 -17.846 1.00 2.11 H +ATOM 668 HD2 LYS A 45 228.609 88.999 -19.417 1.00 1.96 H +ATOM 669 HD3 LYS A 45 228.138 87.377 -18.913 1.00 2.02 H +ATOM 670 HE2 LYS A 45 228.422 89.799 -17.107 1.00 2.49 H +ATOM 671 HE3 LYS A 45 226.912 89.030 -17.591 1.00 2.41 H +ATOM 672 HZ1 LYS A 45 227.563 87.029 -16.461 1.00 3.24 H +ATOM 673 HZ2 LYS A 45 227.680 88.333 -15.380 1.00 3.13 H +ATOM 674 HZ3 LYS A 45 229.083 87.679 -16.081 1.00 3.29 H +ATOM 675 N GLU A 46 233.194 87.977 -21.348 1.00 0.67 N +ATOM 676 CA GLU A 46 233.942 87.783 -22.622 1.00 0.68 C +ATOM 677 C GLU A 46 235.317 87.181 -22.322 1.00 0.63 C +ATOM 678 O GLU A 46 235.844 86.404 -23.091 1.00 0.63 O +ATOM 679 CB GLU A 46 234.119 89.133 -23.321 1.00 0.75 C +ATOM 680 CG GLU A 46 234.800 88.927 -24.675 1.00 1.43 C +ATOM 681 CD GLU A 46 234.918 90.273 -25.394 1.00 1.87 C +ATOM 682 OE1 GLU A 46 234.706 91.286 -24.747 1.00 2.71 O +ATOM 683 OE2 GLU A 46 235.217 90.268 -26.578 1.00 2.06 O +ATOM 684 H GLU A 46 232.778 88.842 -21.152 1.00 0.71 H +ATOM 685 HA GLU A 46 233.389 87.115 -23.266 1.00 0.70 H +ATOM 686 HB2 GLU A 46 233.151 89.592 -23.470 1.00 1.16 H +ATOM 687 HB3 GLU A 46 234.733 89.776 -22.708 1.00 1.24 H +ATOM 688 HG2 GLU A 46 235.787 88.512 -24.522 1.00 2.03 H +ATOM 689 HG3 GLU A 46 234.215 88.249 -25.273 1.00 2.03 H +ATOM 690 N GLY A 47 235.899 87.532 -21.208 1.00 0.61 N +ATOM 691 CA GLY A 47 237.238 86.978 -20.862 1.00 0.61 C +ATOM 692 C GLY A 47 237.108 85.484 -20.561 1.00 0.58 C +ATOM 693 O GLY A 47 237.957 84.690 -20.924 1.00 0.59 O +ATOM 694 H GLY A 47 235.456 88.160 -20.600 1.00 0.62 H +ATOM 695 HA2 GLY A 47 237.913 87.124 -21.693 1.00 0.65 H +ATOM 696 HA3 GLY A 47 237.622 87.485 -19.989 1.00 0.64 H +ATOM 697 N VAL A 48 236.052 85.092 -19.904 1.00 0.58 N +ATOM 698 CA VAL A 48 235.867 83.650 -19.580 1.00 0.59 C +ATOM 699 C VAL A 48 235.676 82.859 -20.876 1.00 0.56 C +ATOM 700 O VAL A 48 236.275 81.821 -21.076 1.00 0.56 O +ATOM 701 CB VAL A 48 234.634 83.484 -18.690 1.00 0.68 C +ATOM 702 CG1 VAL A 48 234.320 81.995 -18.512 1.00 1.27 C +ATOM 703 CG2 VAL A 48 234.907 84.111 -17.321 1.00 1.24 C +ATOM 704 H VAL A 48 235.380 85.747 -19.622 1.00 0.60 H +ATOM 705 HA VAL A 48 236.739 83.284 -19.060 1.00 0.61 H +ATOM 706 HB VAL A 48 233.791 83.978 -19.151 1.00 1.18 H +ATOM 707 HG11 VAL A 48 235.231 81.457 -18.292 1.00 1.71 H +ATOM 708 HG12 VAL A 48 233.885 81.608 -19.421 1.00 1.91 H +ATOM 709 HG13 VAL A 48 233.622 81.867 -17.696 1.00 1.81 H +ATOM 710 HG21 VAL A 48 234.000 84.115 -16.735 1.00 1.84 H +ATOM 711 HG22 VAL A 48 235.253 85.127 -17.454 1.00 1.74 H +ATOM 712 HG23 VAL A 48 235.665 83.533 -16.808 1.00 1.77 H +ATOM 713 N VAL A 49 234.847 83.342 -21.760 1.00 0.58 N +ATOM 714 CA VAL A 49 234.620 82.618 -23.042 1.00 0.59 C +ATOM 715 C VAL A 49 235.959 82.411 -23.753 1.00 0.56 C +ATOM 716 O VAL A 49 236.209 81.376 -24.340 1.00 0.56 O +ATOM 717 CB VAL A 49 233.690 83.440 -23.936 1.00 0.65 C +ATOM 718 CG1 VAL A 49 233.581 82.784 -25.315 1.00 0.91 C +ATOM 719 CG2 VAL A 49 232.298 83.510 -23.297 1.00 0.84 C +ATOM 720 H VAL A 49 234.375 84.182 -21.581 1.00 0.60 H +ATOM 721 HA VAL A 49 234.169 81.658 -22.839 1.00 0.60 H +ATOM 722 HB VAL A 49 234.088 84.436 -24.043 1.00 0.86 H +ATOM 723 HG11 VAL A 49 232.760 83.227 -25.861 1.00 1.35 H +ATOM 724 HG12 VAL A 49 233.403 81.725 -25.195 1.00 1.45 H +ATOM 725 HG13 VAL A 49 234.501 82.937 -25.860 1.00 1.44 H +ATOM 726 HG21 VAL A 49 231.684 84.205 -23.848 1.00 1.44 H +ATOM 727 HG22 VAL A 49 232.387 83.843 -22.273 1.00 1.32 H +ATOM 728 HG23 VAL A 49 231.845 82.531 -23.321 1.00 1.37 H +ATOM 729 N HIS A 50 236.822 83.389 -23.709 1.00 0.56 N +ATOM 730 CA HIS A 50 238.143 83.250 -24.383 1.00 0.57 C +ATOM 731 C HIS A 50 238.999 82.237 -23.621 1.00 0.55 C +ATOM 732 O HIS A 50 239.860 81.588 -24.181 1.00 0.57 O +ATOM 733 CB HIS A 50 238.853 84.606 -24.401 1.00 0.60 C +ATOM 734 CG HIS A 50 240.184 84.467 -25.087 1.00 0.64 C +ATOM 735 ND1 HIS A 50 240.325 83.834 -26.314 1.00 1.33 N +ATOM 736 CD2 HIS A 50 241.440 84.882 -24.733 1.00 1.21 C +ATOM 737 CE1 HIS A 50 241.628 83.887 -26.653 1.00 1.11 C +ATOM 738 NE2 HIS A 50 242.349 84.516 -25.723 1.00 0.87 N +ATOM 739 H HIS A 50 236.600 84.217 -23.232 1.00 0.57 H +ATOM 740 HA HIS A 50 237.997 82.906 -25.396 1.00 0.60 H +ATOM 741 HB2 HIS A 50 238.244 85.323 -24.930 1.00 0.64 H +ATOM 742 HB3 HIS A 50 239.005 84.946 -23.387 1.00 0.59 H +ATOM 743 HD1 HIS A 50 239.606 83.419 -26.840 1.00 2.14 H +ATOM 744 HD2 HIS A 50 241.685 85.408 -23.822 1.00 2.14 H +ATOM 745 HE1 HIS A 50 242.039 83.467 -27.563 1.00 1.73 H +ATOM 746 HE2 HIS A 50 243.315 84.691 -25.736 1.00 1.21 H +ATOM 747 N GLY A 51 238.768 82.091 -22.345 1.00 0.53 N +ATOM 748 CA GLY A 51 239.568 81.118 -21.549 1.00 0.55 C +ATOM 749 C GLY A 51 239.228 79.694 -21.992 1.00 0.54 C +ATOM 750 O GLY A 51 240.076 78.960 -22.458 1.00 0.57 O +ATOM 751 H GLY A 51 238.067 82.620 -21.910 1.00 0.53 H +ATOM 752 HA2 GLY A 51 240.622 81.305 -21.708 1.00 0.57 H +ATOM 753 HA3 GLY A 51 239.339 81.231 -20.503 1.00 0.56 H +ATOM 754 N VAL A 52 237.992 79.301 -21.853 1.00 0.53 N +ATOM 755 CA VAL A 52 237.598 77.925 -22.267 1.00 0.55 C +ATOM 756 C VAL A 52 237.970 77.712 -23.736 1.00 0.56 C +ATOM 757 O VAL A 52 238.262 76.613 -24.158 1.00 0.58 O +ATOM 758 CB VAL A 52 236.088 77.753 -22.093 1.00 0.56 C +ATOM 759 CG1 VAL A 52 235.725 77.906 -20.615 1.00 0.58 C +ATOM 760 CG2 VAL A 52 235.354 78.819 -22.912 1.00 0.56 C +ATOM 761 H VAL A 52 237.323 79.910 -21.477 1.00 0.53 H +ATOM 762 HA VAL A 52 238.116 77.202 -21.655 1.00 0.56 H +ATOM 763 HB VAL A 52 235.796 76.772 -22.435 1.00 0.58 H +ATOM 764 HG11 VAL A 52 236.078 77.044 -20.066 1.00 1.24 H +ATOM 765 HG12 VAL A 52 234.650 77.983 -20.513 1.00 1.17 H +ATOM 766 HG13 VAL A 52 236.191 78.798 -20.222 1.00 1.02 H +ATOM 767 HG21 VAL A 52 235.708 79.799 -22.627 1.00 1.16 H +ATOM 768 HG22 VAL A 52 234.292 78.748 -22.725 1.00 1.16 H +ATOM 769 HG23 VAL A 52 235.546 78.658 -23.961 1.00 1.10 H +ATOM 770 N ALA A 53 237.959 78.756 -24.519 1.00 0.56 N +ATOM 771 CA ALA A 53 238.312 78.612 -25.959 1.00 0.60 C +ATOM 772 C ALA A 53 239.798 78.271 -26.088 1.00 0.62 C +ATOM 773 O ALA A 53 240.201 77.524 -26.957 1.00 0.65 O +ATOM 774 CB ALA A 53 238.027 79.927 -26.688 1.00 0.62 C +ATOM 775 H ALA A 53 237.718 79.636 -24.159 1.00 0.55 H +ATOM 776 HA ALA A 53 237.722 77.822 -26.398 1.00 0.62 H +ATOM 777 HB1 ALA A 53 238.768 80.662 -26.408 1.00 1.08 H +ATOM 778 HB2 ALA A 53 237.043 80.285 -26.419 1.00 1.10 H +ATOM 779 HB3 ALA A 53 238.069 79.764 -27.755 1.00 1.16 H +ATOM 780 N THR A 54 240.617 78.812 -25.227 1.00 0.61 N +ATOM 781 CA THR A 54 242.076 78.519 -25.300 1.00 0.65 C +ATOM 782 C THR A 54 242.342 77.115 -24.752 1.00 0.64 C +ATOM 783 O THR A 54 243.127 76.366 -25.293 1.00 0.66 O +ATOM 784 CB THR A 54 242.845 79.547 -24.467 1.00 0.67 C +ATOM 785 OG1 THR A 54 242.436 80.856 -24.836 1.00 1.12 O +ATOM 786 CG2 THR A 54 244.348 79.390 -24.714 1.00 1.19 C +ATOM 787 H THR A 54 240.272 79.412 -24.533 1.00 0.59 H +ATOM 788 HA THR A 54 242.403 78.572 -26.328 1.00 0.68 H +ATOM 789 HB THR A 54 242.641 79.388 -23.423 1.00 1.01 H +ATOM 790 HG1 THR A 54 242.375 81.382 -24.037 1.00 1.51 H +ATOM 791 HG21 THR A 54 244.579 79.707 -25.718 1.00 1.50 H +ATOM 792 HG22 THR A 54 244.628 78.356 -24.590 1.00 1.87 H +ATOM 793 HG23 THR A 54 244.894 80.000 -24.010 1.00 1.71 H +ATOM 794 N VAL A 55 241.692 76.754 -23.680 1.00 0.61 N +ATOM 795 CA VAL A 55 241.908 75.398 -23.098 1.00 0.61 C +ATOM 796 C VAL A 55 241.458 74.334 -24.101 1.00 0.59 C +ATOM 797 O VAL A 55 241.880 73.195 -24.045 1.00 0.59 O +ATOM 798 CB VAL A 55 241.095 75.261 -21.810 1.00 0.61 C +ATOM 799 CG1 VAL A 55 241.195 73.826 -21.285 1.00 0.63 C +ATOM 800 CG2 VAL A 55 241.644 76.227 -20.757 1.00 0.63 C +ATOM 801 H VAL A 55 241.062 77.373 -23.257 1.00 0.60 H +ATOM 802 HA VAL A 55 242.957 75.265 -22.877 1.00 0.63 H +ATOM 803 HB VAL A 55 240.056 75.497 -22.012 1.00 0.60 H +ATOM 804 HG11 VAL A 55 242.224 73.503 -21.325 1.00 1.10 H +ATOM 805 HG12 VAL A 55 240.593 73.176 -21.899 1.00 1.07 H +ATOM 806 HG13 VAL A 55 240.846 73.789 -20.266 1.00 1.22 H +ATOM 807 HG21 VAL A 55 242.697 76.035 -20.608 1.00 1.08 H +ATOM 808 HG22 VAL A 55 241.117 76.080 -19.826 1.00 1.26 H +ATOM 809 HG23 VAL A 55 241.508 77.242 -21.095 1.00 1.26 H +ATOM 810 N ALA A 56 240.600 74.692 -25.017 1.00 0.59 N +ATOM 811 CA ALA A 56 240.124 73.700 -26.021 1.00 0.59 C +ATOM 812 C ALA A 56 241.249 73.394 -27.010 1.00 0.59 C +ATOM 813 O ALA A 56 241.280 72.348 -27.629 1.00 0.60 O +ATOM 814 CB ALA A 56 238.923 74.274 -26.776 1.00 0.62 C +ATOM 815 H ALA A 56 240.270 75.615 -25.044 1.00 0.60 H +ATOM 816 HA ALA A 56 239.831 72.791 -25.517 1.00 0.59 H +ATOM 817 HB1 ALA A 56 238.228 74.704 -26.070 1.00 1.13 H +ATOM 818 HB2 ALA A 56 238.436 73.486 -27.327 1.00 1.14 H +ATOM 819 HB3 ALA A 56 239.260 75.037 -27.460 1.00 1.16 H +ATOM 820 N GLU A 57 242.177 74.299 -27.166 1.00 0.60 N +ATOM 821 CA GLU A 57 243.300 74.058 -28.116 1.00 0.63 C +ATOM 822 C GLU A 57 244.308 73.101 -27.478 1.00 0.63 C +ATOM 823 O GLU A 57 244.834 72.218 -28.123 1.00 0.65 O +ATOM 824 CB GLU A 57 243.988 75.386 -28.437 1.00 0.66 C +ATOM 825 CG GLU A 57 243.039 76.274 -29.243 1.00 1.29 C +ATOM 826 CD GLU A 57 243.701 77.629 -29.498 1.00 1.92 C +ATOM 827 OE1 GLU A 57 244.839 77.797 -29.086 1.00 2.44 O +ATOM 828 OE2 GLU A 57 243.061 78.474 -30.099 1.00 2.61 O +ATOM 829 H GLU A 57 242.135 75.136 -26.659 1.00 0.60 H +ATOM 830 HA GLU A 57 242.915 73.622 -29.026 1.00 0.65 H +ATOM 831 HB2 GLU A 57 244.252 75.885 -27.517 1.00 0.93 H +ATOM 832 HB3 GLU A 57 244.880 75.199 -29.018 1.00 1.18 H +ATOM 833 HG2 GLU A 57 242.815 75.799 -30.188 1.00 1.92 H +ATOM 834 HG3 GLU A 57 242.126 76.422 -28.689 1.00 1.87 H +ATOM 835 N LYS A 58 244.578 73.266 -26.212 1.00 0.62 N +ATOM 836 CA LYS A 58 245.550 72.364 -25.533 1.00 0.64 C +ATOM 837 C LYS A 58 244.936 70.969 -25.396 1.00 0.61 C +ATOM 838 O LYS A 58 245.603 69.966 -25.566 1.00 0.62 O +ATOM 839 CB LYS A 58 245.876 72.918 -24.144 1.00 0.68 C +ATOM 840 CG LYS A 58 246.660 74.223 -24.285 1.00 1.43 C +ATOM 841 CD LYS A 58 246.938 74.801 -22.896 1.00 1.92 C +ATOM 842 CE LYS A 58 247.728 76.101 -23.031 1.00 2.77 C +ATOM 843 NZ LYS A 58 247.970 76.679 -21.678 1.00 3.39 N +ATOM 844 H LYS A 58 244.140 73.983 -25.708 1.00 0.61 H +ATOM 845 HA LYS A 58 246.456 72.303 -26.119 1.00 0.68 H +ATOM 846 HB2 LYS A 58 244.957 73.104 -23.605 1.00 1.09 H +ATOM 847 HB3 LYS A 58 246.471 72.200 -23.602 1.00 1.14 H +ATOM 848 HG2 LYS A 58 247.596 74.026 -24.790 1.00 2.15 H +ATOM 849 HG3 LYS A 58 246.082 74.931 -24.860 1.00 1.92 H +ATOM 850 HD2 LYS A 58 245.999 74.998 -22.394 1.00 2.14 H +ATOM 851 HD3 LYS A 58 247.513 74.090 -22.321 1.00 2.40 H +ATOM 852 HE2 LYS A 58 248.675 75.900 -23.512 1.00 3.26 H +ATOM 853 HE3 LYS A 58 247.162 76.804 -23.625 1.00 3.05 H +ATOM 854 HZ1 LYS A 58 248.169 75.915 -21.003 1.00 3.55 H +ATOM 855 HZ2 LYS A 58 247.126 77.201 -21.371 1.00 3.83 H +ATOM 856 HZ3 LYS A 58 248.784 77.325 -21.717 1.00 3.79 H +ATOM 857 N THR A 59 243.669 70.897 -25.090 1.00 0.59 N +ATOM 858 CA THR A 59 243.012 69.569 -24.943 1.00 0.58 C +ATOM 859 C THR A 59 243.330 68.704 -26.165 1.00 0.55 C +ATOM 860 O THR A 59 243.348 67.493 -26.090 1.00 0.54 O +ATOM 861 CB THR A 59 241.497 69.760 -24.834 1.00 0.65 C +ATOM 862 OG1 THR A 59 241.210 70.727 -23.829 1.00 0.95 O +ATOM 863 CG2 THR A 59 240.834 68.432 -24.466 1.00 1.29 C +ATOM 864 H THR A 59 243.150 71.718 -24.959 1.00 0.61 H +ATOM 865 HA THR A 59 243.378 69.082 -24.051 1.00 0.61 H +ATOM 866 HB THR A 59 241.110 70.097 -25.782 1.00 1.13 H +ATOM 867 HG1 THR A 59 241.994 71.265 -23.708 1.00 1.48 H +ATOM 868 HG21 THR A 59 241.182 67.655 -25.131 1.00 1.88 H +ATOM 869 HG22 THR A 59 239.761 68.528 -24.561 1.00 1.84 H +ATOM 870 HG23 THR A 59 241.085 68.175 -23.447 1.00 1.70 H +ATOM 871 N LYS A 60 243.578 69.319 -27.289 1.00 0.60 N +ATOM 872 CA LYS A 60 243.893 68.532 -28.514 1.00 0.67 C +ATOM 873 C LYS A 60 245.296 67.934 -28.390 1.00 0.67 C +ATOM 874 O LYS A 60 245.534 66.808 -28.773 1.00 0.70 O +ATOM 875 CB LYS A 60 243.835 69.450 -29.738 1.00 0.80 C +ATOM 876 CG LYS A 60 242.386 69.840 -30.030 1.00 0.89 C +ATOM 877 CD LYS A 60 242.350 70.788 -31.232 1.00 1.33 C +ATOM 878 CE LYS A 60 240.902 71.179 -31.536 1.00 1.66 C +ATOM 879 NZ LYS A 60 240.184 70.005 -32.108 1.00 2.08 N +ATOM 880 H LYS A 60 243.556 70.298 -27.327 1.00 0.64 H +ATOM 881 HA LYS A 60 243.171 67.737 -28.627 1.00 0.67 H +ATOM 882 HB2 LYS A 60 244.419 70.342 -29.548 1.00 0.83 H +ATOM 883 HB3 LYS A 60 244.244 68.935 -30.591 1.00 0.85 H +ATOM 884 HG2 LYS A 60 241.811 68.954 -30.250 1.00 1.32 H +ATOM 885 HG3 LYS A 60 241.966 70.336 -29.170 1.00 1.01 H +ATOM 886 HD2 LYS A 60 242.926 71.676 -31.007 1.00 1.90 H +ATOM 887 HD3 LYS A 60 242.776 70.295 -32.093 1.00 1.96 H +ATOM 888 HE2 LYS A 60 240.415 71.493 -30.626 1.00 2.27 H +ATOM 889 HE3 LYS A 60 240.891 71.991 -32.249 1.00 2.03 H +ATOM 890 HZ1 LYS A 60 239.895 69.364 -31.345 1.00 2.40 H +ATOM 891 HZ2 LYS A 60 240.815 69.501 -32.762 1.00 2.56 H +ATOM 892 HZ3 LYS A 60 239.341 70.329 -32.620 1.00 2.41 H +ATOM 893 N GLU A 61 246.226 68.680 -27.860 1.00 0.69 N +ATOM 894 CA GLU A 61 247.612 68.153 -27.713 1.00 0.79 C +ATOM 895 C GLU A 61 247.638 67.076 -26.626 1.00 0.76 C +ATOM 896 O GLU A 61 248.515 66.229 -26.595 1.00 0.84 O +ATOM 897 CB GLU A 61 248.553 69.295 -27.322 1.00 0.86 C +ATOM 898 CG GLU A 61 248.673 70.279 -28.488 1.00 0.93 C +ATOM 899 CD GLU A 61 249.543 71.467 -28.069 1.00 1.54 C +ATOM 900 OE1 GLU A 61 250.013 71.464 -26.942 1.00 2.19 O +ATOM 901 OE2 GLU A 61 249.723 72.362 -28.881 1.00 2.19 O +ATOM 902 H GLU A 61 246.013 69.588 -27.560 1.00 0.67 H +ATOM 903 HA GLU A 61 247.936 67.725 -28.651 1.00 0.88 H +ATOM 904 HB2 GLU A 61 248.159 69.806 -26.455 1.00 0.78 H +ATOM 905 HB3 GLU A 61 249.530 68.895 -27.090 1.00 0.97 H +ATOM 906 HG2 GLU A 61 249.125 69.784 -29.335 1.00 1.29 H +ATOM 907 HG3 GLU A 61 247.690 70.633 -28.761 1.00 1.22 H +ATOM 908 N GLN A 62 246.686 67.097 -25.733 1.00 0.67 N +ATOM 909 CA GLN A 62 246.659 66.075 -24.649 1.00 0.70 C +ATOM 910 C GLN A 62 246.074 64.769 -25.192 1.00 0.67 C +ATOM 911 O GLN A 62 246.723 63.743 -25.201 1.00 0.69 O +ATOM 912 CB GLN A 62 245.791 66.580 -23.494 1.00 0.68 C +ATOM 913 CG GLN A 62 245.897 65.614 -22.311 1.00 1.40 C +ATOM 914 CD GLN A 62 245.059 66.142 -21.144 1.00 1.96 C +ATOM 915 OE1 GLN A 62 243.935 65.723 -20.946 1.00 2.49 O +ATOM 916 NE2 GLN A 62 245.561 67.050 -20.358 1.00 2.65 N +ATOM 917 H GLN A 62 245.990 67.785 -25.776 1.00 0.63 H +ATOM 918 HA GLN A 62 247.663 65.898 -24.294 1.00 0.80 H +ATOM 919 HB2 GLN A 62 246.133 67.561 -23.190 1.00 1.07 H +ATOM 920 HB3 GLN A 62 244.764 66.640 -23.816 1.00 1.04 H +ATOM 921 HG2 GLN A 62 245.532 64.642 -22.609 1.00 2.06 H +ATOM 922 HG3 GLN A 62 246.928 65.533 -22.004 1.00 1.90 H +ATOM 923 HE21 GLN A 62 246.465 67.390 -20.516 1.00 2.89 H +ATOM 924 HE22 GLN A 62 245.032 67.394 -19.610 1.00 3.26 H +ATOM 925 N VAL A 63 244.849 64.798 -25.642 1.00 0.64 N +ATOM 926 CA VAL A 63 244.223 63.559 -26.182 1.00 0.64 C +ATOM 927 C VAL A 63 245.153 62.926 -27.220 1.00 0.67 C +ATOM 928 O VAL A 63 245.199 61.720 -27.374 1.00 0.67 O +ATOM 929 CB VAL A 63 242.887 63.907 -26.840 1.00 0.68 C +ATOM 930 CG1 VAL A 63 241.966 64.560 -25.808 1.00 0.82 C +ATOM 931 CG2 VAL A 63 243.127 64.882 -27.996 1.00 0.80 C +ATOM 932 H VAL A 63 244.340 65.636 -25.623 1.00 0.64 H +ATOM 933 HA VAL A 63 244.056 62.860 -25.376 1.00 0.63 H +ATOM 934 HB VAL A 63 242.428 63.007 -27.214 1.00 0.69 H +ATOM 935 HG11 VAL A 63 242.468 65.404 -25.358 1.00 1.20 H +ATOM 936 HG12 VAL A 63 241.715 63.842 -25.043 1.00 1.50 H +ATOM 937 HG13 VAL A 63 241.060 64.897 -26.296 1.00 1.27 H +ATOM 938 HG21 VAL A 63 243.591 64.357 -28.820 1.00 1.24 H +ATOM 939 HG22 VAL A 63 243.777 65.677 -27.666 1.00 1.25 H +ATOM 940 HG23 VAL A 63 242.185 65.298 -28.318 1.00 1.39 H +ATOM 941 N THR A 64 245.893 63.727 -27.936 1.00 0.74 N +ATOM 942 CA THR A 64 246.817 63.168 -28.963 1.00 0.84 C +ATOM 943 C THR A 64 247.916 62.357 -28.273 1.00 0.82 C +ATOM 944 O THR A 64 248.223 61.248 -28.665 1.00 0.85 O +ATOM 945 CB THR A 64 247.448 64.315 -29.759 1.00 1.00 C +ATOM 946 OG1 THR A 64 247.853 65.338 -28.863 1.00 1.23 O +ATOM 947 CG2 THR A 64 246.431 64.878 -30.754 1.00 1.48 C +ATOM 948 H THR A 64 245.841 64.696 -27.798 1.00 0.75 H +ATOM 949 HA THR A 64 246.264 62.526 -29.633 1.00 0.87 H +ATOM 950 HB THR A 64 248.305 63.951 -30.298 1.00 1.26 H +ATOM 951 HG1 THR A 64 247.160 65.449 -28.206 1.00 1.30 H +ATOM 952 HG21 THR A 64 246.760 65.846 -31.101 1.00 1.81 H +ATOM 953 HG22 THR A 64 245.469 64.977 -30.273 1.00 2.01 H +ATOM 954 HG23 THR A 64 246.343 64.206 -31.597 1.00 1.97 H +ATOM 955 N ASN A 65 248.515 62.901 -27.249 1.00 0.83 N +ATOM 956 CA ASN A 65 249.593 62.159 -26.537 1.00 0.92 C +ATOM 957 C ASN A 65 248.999 60.928 -25.849 1.00 0.87 C +ATOM 958 O ASN A 65 249.529 59.839 -25.935 1.00 0.99 O +ATOM 959 CB ASN A 65 250.232 63.071 -25.487 1.00 1.01 C +ATOM 960 CG ASN A 65 251.221 64.024 -26.163 1.00 1.66 C +ATOM 961 OD1 ASN A 65 251.152 65.224 -25.979 1.00 2.37 O +ATOM 962 ND2 ASN A 65 252.148 63.536 -26.942 1.00 2.34 N +ATOM 963 H ASN A 65 248.256 63.798 -26.949 1.00 0.82 H +ATOM 964 HA ASN A 65 250.345 61.847 -27.247 1.00 1.04 H +ATOM 965 HB2 ASN A 65 249.460 63.644 -24.995 1.00 1.41 H +ATOM 966 HB3 ASN A 65 250.758 62.472 -24.758 1.00 1.33 H +ATOM 967 HD21 ASN A 65 252.206 62.567 -27.091 1.00 2.59 H +ATOM 968 HD22 ASN A 65 252.789 64.137 -27.378 1.00 3.00 H +ATOM 969 N VAL A 66 247.898 61.092 -25.166 1.00 0.78 N +ATOM 970 CA VAL A 66 247.271 59.931 -24.473 1.00 0.84 C +ATOM 971 C VAL A 66 246.561 59.047 -25.500 1.00 0.79 C +ATOM 972 O VAL A 66 246.426 57.854 -25.319 1.00 0.83 O +ATOM 973 CB VAL A 66 246.255 60.438 -23.449 1.00 0.87 C +ATOM 974 CG1 VAL A 66 245.651 59.252 -22.694 1.00 1.37 C +ATOM 975 CG2 VAL A 66 246.956 61.369 -22.456 1.00 1.50 C +ATOM 976 H VAL A 66 247.485 61.979 -25.108 1.00 0.75 H +ATOM 977 HA VAL A 66 248.034 59.357 -23.970 1.00 0.98 H +ATOM 978 HB VAL A 66 245.469 60.977 -23.956 1.00 1.52 H +ATOM 979 HG11 VAL A 66 244.990 59.618 -21.923 1.00 1.89 H +ATOM 980 HG12 VAL A 66 246.443 58.672 -22.244 1.00 2.01 H +ATOM 981 HG13 VAL A 66 245.095 58.634 -23.381 1.00 1.77 H +ATOM 982 HG21 VAL A 66 246.224 61.815 -21.800 1.00 2.06 H +ATOM 983 HG22 VAL A 66 247.470 62.150 -22.997 1.00 1.98 H +ATOM 984 HG23 VAL A 66 247.666 60.804 -21.872 1.00 2.03 H +ATOM 985 N GLY A 67 246.113 59.622 -26.583 1.00 0.72 N +ATOM 986 CA GLY A 67 245.412 58.815 -27.621 1.00 0.71 C +ATOM 987 C GLY A 67 246.240 57.571 -27.949 1.00 0.77 C +ATOM 988 O GLY A 67 245.709 56.509 -28.190 1.00 0.77 O +ATOM 989 H GLY A 67 246.238 60.585 -26.713 1.00 0.71 H +ATOM 990 HA2 GLY A 67 244.439 58.515 -27.249 1.00 0.68 H +ATOM 991 HA3 GLY A 67 245.285 59.407 -28.514 1.00 0.73 H +ATOM 992 N GLY A 68 247.539 57.695 -27.956 1.00 0.85 N +ATOM 993 CA GLY A 68 248.399 56.519 -28.269 1.00 0.94 C +ATOM 994 C GLY A 68 248.528 55.635 -27.027 1.00 0.96 C +ATOM 995 O GLY A 68 248.929 54.491 -27.107 1.00 1.01 O +ATOM 996 H GLY A 68 247.949 58.562 -27.755 1.00 0.85 H +ATOM 997 HA2 GLY A 68 247.953 55.950 -29.073 1.00 0.96 H +ATOM 998 HA3 GLY A 68 249.377 56.857 -28.567 1.00 1.00 H +ATOM 999 N ALA A 69 248.192 56.155 -25.878 1.00 0.96 N +ATOM 1000 CA ALA A 69 248.297 55.344 -24.632 1.00 1.02 C +ATOM 1001 C ALA A 69 247.064 54.448 -24.498 1.00 0.92 C +ATOM 1002 O ALA A 69 247.172 53.263 -24.246 1.00 0.91 O +ATOM 1003 CB ALA A 69 248.383 56.278 -23.422 1.00 1.09 C +ATOM 1004 H ALA A 69 247.870 57.080 -25.835 1.00 0.94 H +ATOM 1005 HA ALA A 69 249.185 54.730 -24.674 1.00 1.13 H +ATOM 1006 HB1 ALA A 69 248.406 55.690 -22.515 1.00 1.54 H +ATOM 1007 HB2 ALA A 69 247.522 56.928 -23.407 1.00 1.50 H +ATOM 1008 HB3 ALA A 69 249.278 56.872 -23.488 1.00 1.49 H +ATOM 1009 N VAL A 70 245.892 55.001 -24.662 1.00 0.86 N +ATOM 1010 CA VAL A 70 244.658 54.175 -24.541 1.00 0.80 C +ATOM 1011 C VAL A 70 244.704 53.033 -25.560 1.00 0.77 C +ATOM 1012 O VAL A 70 244.246 51.939 -25.298 1.00 0.74 O +ATOM 1013 CB VAL A 70 243.426 55.048 -24.801 1.00 0.83 C +ATOM 1014 CG1 VAL A 70 243.242 56.028 -23.642 1.00 1.46 C +ATOM 1015 CG2 VAL A 70 243.618 55.829 -26.101 1.00 1.00 C +ATOM 1016 H VAL A 70 245.825 55.957 -24.864 1.00 0.88 H +ATOM 1017 HA VAL A 70 244.601 53.761 -23.545 1.00 0.80 H +ATOM 1018 HB VAL A 70 242.548 54.421 -24.882 1.00 1.50 H +ATOM 1019 HG11 VAL A 70 242.857 55.500 -22.782 1.00 2.15 H +ATOM 1020 HG12 VAL A 70 242.545 56.801 -23.927 1.00 1.86 H +ATOM 1021 HG13 VAL A 70 244.194 56.474 -23.394 1.00 1.81 H +ATOM 1022 HG21 VAL A 70 244.513 56.432 -26.031 1.00 1.67 H +ATOM 1023 HG22 VAL A 70 242.761 56.471 -26.266 1.00 1.53 H +ATOM 1024 HG23 VAL A 70 243.712 55.137 -26.923 1.00 1.52 H +ATOM 1025 N VAL A 71 245.252 53.276 -26.720 1.00 0.80 N +ATOM 1026 CA VAL A 71 245.327 52.198 -27.746 1.00 0.83 C +ATOM 1027 C VAL A 71 246.249 51.086 -27.240 1.00 0.88 C +ATOM 1028 O VAL A 71 245.937 49.915 -27.337 1.00 0.87 O +ATOM 1029 CB VAL A 71 245.879 52.774 -29.054 1.00 0.93 C +ATOM 1030 CG1 VAL A 71 246.150 51.637 -30.042 1.00 1.02 C +ATOM 1031 CG2 VAL A 71 244.855 53.735 -29.660 1.00 0.88 C +ATOM 1032 H VAL A 71 245.617 54.165 -26.914 1.00 0.83 H +ATOM 1033 HA VAL A 71 244.339 51.796 -27.917 1.00 0.77 H +ATOM 1034 HB VAL A 71 246.800 53.302 -28.854 1.00 1.00 H +ATOM 1035 HG11 VAL A 71 245.302 50.970 -30.064 1.00 1.50 H +ATOM 1036 HG12 VAL A 71 247.028 51.094 -29.733 1.00 1.40 H +ATOM 1037 HG13 VAL A 71 246.310 52.047 -31.027 1.00 1.43 H +ATOM 1038 HG21 VAL A 71 245.241 54.133 -30.587 1.00 1.33 H +ATOM 1039 HG22 VAL A 71 244.668 54.547 -28.974 1.00 1.17 H +ATOM 1040 HG23 VAL A 71 243.933 53.209 -29.851 1.00 1.40 H +ATOM 1041 N THR A 72 247.382 51.443 -26.699 1.00 0.95 N +ATOM 1042 CA THR A 72 248.321 50.407 -26.186 1.00 1.02 C +ATOM 1043 C THR A 72 247.687 49.698 -24.987 1.00 0.98 C +ATOM 1044 O THR A 72 247.803 48.500 -24.829 1.00 0.99 O +ATOM 1045 CB THR A 72 249.628 51.073 -25.752 1.00 1.11 C +ATOM 1046 OG1 THR A 72 249.336 52.150 -24.870 1.00 1.58 O +ATOM 1047 CG2 THR A 72 250.363 51.605 -26.983 1.00 1.58 C +ATOM 1048 H THR A 72 247.614 52.392 -26.630 1.00 0.96 H +ATOM 1049 HA THR A 72 248.524 49.687 -26.965 1.00 1.06 H +ATOM 1050 HB THR A 72 250.252 50.355 -25.247 1.00 1.30 H +ATOM 1051 HG1 THR A 72 250.116 52.703 -24.804 1.00 1.71 H +ATOM 1052 HG21 THR A 72 249.671 52.149 -27.608 1.00 2.04 H +ATOM 1053 HG22 THR A 72 250.777 50.776 -27.537 1.00 2.13 H +ATOM 1054 HG23 THR A 72 251.160 52.260 -26.672 1.00 1.96 H +ATOM 1055 N GLY A 73 247.012 50.429 -24.143 1.00 0.95 N +ATOM 1056 CA GLY A 73 246.370 49.797 -22.956 1.00 0.93 C +ATOM 1057 C GLY A 73 245.344 48.763 -23.421 1.00 0.87 C +ATOM 1058 O GLY A 73 245.390 47.611 -23.034 1.00 0.88 O +ATOM 1059 H GLY A 73 246.926 51.394 -24.291 1.00 0.94 H +ATOM 1060 HA2 GLY A 73 247.126 49.312 -22.356 1.00 0.99 H +ATOM 1061 HA3 GLY A 73 245.875 50.553 -22.368 1.00 0.92 H +ATOM 1062 N VAL A 74 244.421 49.162 -24.254 1.00 0.84 N +ATOM 1063 CA VAL A 74 243.394 48.199 -24.743 1.00 0.80 C +ATOM 1064 C VAL A 74 244.089 46.949 -25.285 1.00 0.81 C +ATOM 1065 O VAL A 74 243.626 45.841 -25.102 1.00 0.79 O +ATOM 1066 CB VAL A 74 242.572 48.851 -25.857 1.00 0.79 C +ATOM 1067 CG1 VAL A 74 241.644 47.813 -26.490 1.00 0.84 C +ATOM 1068 CG2 VAL A 74 241.736 49.989 -25.267 1.00 0.82 C +ATOM 1069 H VAL A 74 244.404 50.093 -24.557 1.00 0.85 H +ATOM 1070 HA VAL A 74 242.742 47.924 -23.927 1.00 0.78 H +ATOM 1071 HB VAL A 74 243.239 49.246 -26.613 1.00 0.78 H +ATOM 1072 HG11 VAL A 74 241.161 47.239 -25.714 1.00 1.27 H +ATOM 1073 HG12 VAL A 74 242.220 47.151 -27.119 1.00 1.33 H +ATOM 1074 HG13 VAL A 74 240.895 48.315 -27.088 1.00 1.36 H +ATOM 1075 HG21 VAL A 74 241.316 50.580 -26.067 1.00 1.26 H +ATOM 1076 HG22 VAL A 74 242.366 50.617 -24.652 1.00 1.22 H +ATOM 1077 HG23 VAL A 74 240.939 49.576 -24.664 1.00 1.42 H +ATOM 1078 N THR A 75 245.200 47.118 -25.949 1.00 0.85 N +ATOM 1079 CA THR A 75 245.924 45.938 -26.500 1.00 0.88 C +ATOM 1080 C THR A 75 246.298 44.994 -25.355 1.00 0.89 C +ATOM 1081 O THR A 75 246.192 43.788 -25.469 1.00 0.88 O +ATOM 1082 CB THR A 75 247.194 46.404 -27.214 1.00 0.96 C +ATOM 1083 OG1 THR A 75 246.875 47.473 -28.096 1.00 1.39 O +ATOM 1084 CG2 THR A 75 247.796 45.244 -28.007 1.00 1.70 C +ATOM 1085 H THR A 75 245.559 48.020 -26.085 1.00 0.87 H +ATOM 1086 HA THR A 75 245.286 45.419 -27.200 1.00 0.87 H +ATOM 1087 HB THR A 75 247.912 46.744 -26.482 1.00 1.36 H +ATOM 1088 HG1 THR A 75 247.093 48.297 -27.654 1.00 1.68 H +ATOM 1089 HG21 THR A 75 247.035 44.801 -28.633 1.00 2.19 H +ATOM 1090 HG22 THR A 75 248.175 44.497 -27.321 1.00 2.27 H +ATOM 1091 HG23 THR A 75 248.602 45.613 -28.628 1.00 2.15 H +ATOM 1092 N ALA A 76 246.734 45.533 -24.249 1.00 0.91 N +ATOM 1093 CA ALA A 76 247.112 44.667 -23.097 1.00 0.94 C +ATOM 1094 C ALA A 76 245.872 43.930 -22.589 1.00 0.87 C +ATOM 1095 O ALA A 76 245.922 42.765 -22.259 1.00 0.87 O +ATOM 1096 CB ALA A 76 247.685 45.533 -21.973 1.00 0.99 C +ATOM 1097 H ALA A 76 246.812 46.507 -24.176 1.00 0.92 H +ATOM 1098 HA ALA A 76 247.854 43.949 -23.413 1.00 0.98 H +ATOM 1099 HB1 ALA A 76 248.077 44.898 -21.194 1.00 1.34 H +ATOM 1100 HB2 ALA A 76 246.903 46.158 -21.568 1.00 1.36 H +ATOM 1101 HB3 ALA A 76 248.476 46.155 -22.366 1.00 1.34 H +ATOM 1102 N VAL A 77 244.756 44.604 -22.525 1.00 0.82 N +ATOM 1103 CA VAL A 77 243.512 43.943 -22.042 1.00 0.77 C +ATOM 1104 C VAL A 77 243.063 42.899 -23.065 1.00 0.73 C +ATOM 1105 O VAL A 77 242.492 41.880 -22.722 1.00 0.73 O +ATOM 1106 CB VAL A 77 242.412 44.991 -21.867 1.00 0.75 C +ATOM 1107 CG1 VAL A 77 241.165 44.332 -21.274 1.00 0.78 C +ATOM 1108 CG2 VAL A 77 242.903 46.095 -20.929 1.00 1.02 C +ATOM 1109 H VAL A 77 244.736 45.545 -22.797 1.00 0.82 H +ATOM 1110 HA VAL A 77 243.705 43.460 -21.095 1.00 0.80 H +ATOM 1111 HB VAL A 77 242.167 45.417 -22.830 1.00 0.92 H +ATOM 1112 HG11 VAL A 77 241.439 43.759 -20.401 1.00 1.32 H +ATOM 1113 HG12 VAL A 77 240.720 43.680 -22.008 1.00 1.37 H +ATOM 1114 HG13 VAL A 77 240.452 45.097 -20.995 1.00 1.25 H +ATOM 1115 HG21 VAL A 77 243.612 46.723 -21.450 1.00 1.43 H +ATOM 1116 HG22 VAL A 77 243.382 45.649 -20.070 1.00 1.48 H +ATOM 1117 HG23 VAL A 77 242.064 46.692 -20.605 1.00 1.51 H +ATOM 1118 N ALA A 78 243.319 43.142 -24.322 1.00 0.73 N +ATOM 1119 CA ALA A 78 242.908 42.167 -25.370 1.00 0.72 C +ATOM 1120 C ALA A 78 243.600 40.825 -25.120 1.00 0.75 C +ATOM 1121 O ALA A 78 242.970 39.786 -25.093 1.00 0.73 O +ATOM 1122 CB ALA A 78 243.313 42.700 -26.746 1.00 0.77 C +ATOM 1123 H ALA A 78 243.782 43.967 -24.576 1.00 0.74 H +ATOM 1124 HA ALA A 78 241.837 42.032 -25.337 1.00 0.69 H +ATOM 1125 HB1 ALA A 78 244.365 42.947 -26.738 1.00 1.34 H +ATOM 1126 HB2 ALA A 78 242.733 43.582 -26.976 1.00 1.32 H +ATOM 1127 HB3 ALA A 78 243.128 41.941 -27.496 1.00 1.13 H +ATOM 1128 N GLN A 79 244.892 40.838 -24.940 1.00 0.81 N +ATOM 1129 CA GLN A 79 245.622 39.563 -24.691 1.00 0.86 C +ATOM 1130 C GLN A 79 245.280 39.049 -23.292 1.00 0.84 C +ATOM 1131 O GLN A 79 245.494 37.901 -22.972 1.00 0.85 O +ATOM 1132 CB GLN A 79 247.129 39.810 -24.792 1.00 0.95 C +ATOM 1133 CG GLN A 79 247.495 40.147 -26.239 1.00 0.98 C +ATOM 1134 CD GLN A 79 248.988 40.469 -26.320 1.00 1.59 C +ATOM 1135 OE1 GLN A 79 249.699 40.348 -25.343 1.00 2.53 O +ATOM 1136 NE2 GLN A 79 249.500 40.879 -27.447 1.00 1.94 N +ATOM 1137 H GLN A 79 245.382 41.686 -24.967 1.00 0.83 H +ATOM 1138 HA GLN A 79 245.327 38.829 -25.427 1.00 0.86 H +ATOM 1139 HB2 GLN A 79 247.403 40.634 -24.147 1.00 0.95 H +ATOM 1140 HB3 GLN A 79 247.662 38.918 -24.486 1.00 1.05 H +ATOM 1141 HG2 GLN A 79 247.270 39.304 -26.876 1.00 1.45 H +ATOM 1142 HG3 GLN A 79 246.928 41.004 -26.563 1.00 1.38 H +ATOM 1143 HE21 GLN A 79 248.932 40.981 -28.239 1.00 1.96 H +ATOM 1144 HE22 GLN A 79 250.456 41.086 -27.501 1.00 2.65 H +ATOM 1145 N LYS A 80 244.752 39.899 -22.454 1.00 0.82 N +ATOM 1146 CA LYS A 80 244.392 39.467 -21.074 1.00 0.83 C +ATOM 1147 C LYS A 80 243.030 38.767 -21.106 1.00 0.76 C +ATOM 1148 O LYS A 80 242.694 38.001 -20.225 1.00 0.78 O +ATOM 1149 CB LYS A 80 244.322 40.698 -20.162 1.00 0.87 C +ATOM 1150 CG LYS A 80 244.458 40.268 -18.696 1.00 1.36 C +ATOM 1151 CD LYS A 80 244.535 41.504 -17.799 1.00 1.67 C +ATOM 1152 CE LYS A 80 244.788 41.067 -16.353 1.00 2.10 C +ATOM 1153 NZ LYS A 80 243.609 40.307 -15.849 1.00 2.90 N +ATOM 1154 H LYS A 80 244.591 40.824 -22.734 1.00 0.82 H +ATOM 1155 HA LYS A 80 245.141 38.782 -20.704 1.00 0.89 H +ATOM 1156 HB2 LYS A 80 245.127 41.376 -20.412 1.00 1.27 H +ATOM 1157 HB3 LYS A 80 243.375 41.200 -20.300 1.00 1.15 H +ATOM 1158 HG2 LYS A 80 243.603 39.672 -18.415 1.00 1.95 H +ATOM 1159 HG3 LYS A 80 245.353 39.684 -18.573 1.00 1.91 H +ATOM 1160 HD2 LYS A 80 245.343 42.139 -18.133 1.00 2.13 H +ATOM 1161 HD3 LYS A 80 243.602 42.050 -17.853 1.00 2.14 H +ATOM 1162 HE2 LYS A 80 245.666 40.436 -16.314 1.00 2.29 H +ATOM 1163 HE3 LYS A 80 244.943 41.938 -15.735 1.00 2.52 H +ATOM 1164 HZ1 LYS A 80 243.065 39.936 -16.654 1.00 3.38 H +ATOM 1165 HZ2 LYS A 80 243.008 40.941 -15.282 1.00 3.33 H +ATOM 1166 HZ3 LYS A 80 243.932 39.514 -15.257 1.00 3.14 H +ATOM 1167 N THR A 81 242.246 39.024 -22.118 1.00 0.71 N +ATOM 1168 CA THR A 81 240.906 38.378 -22.210 1.00 0.67 C +ATOM 1169 C THR A 81 241.056 36.962 -22.772 1.00 0.66 C +ATOM 1170 O THR A 81 240.565 36.005 -22.206 1.00 0.66 O +ATOM 1171 CB THR A 81 240.007 39.200 -23.137 1.00 0.64 C +ATOM 1172 OG1 THR A 81 240.083 40.574 -22.774 1.00 1.21 O +ATOM 1173 CG2 THR A 81 238.561 38.712 -23.013 1.00 1.34 C +ATOM 1174 H THR A 81 242.539 39.644 -22.818 1.00 0.70 H +ATOM 1175 HA THR A 81 240.461 38.329 -21.227 1.00 0.69 H +ATOM 1176 HB THR A 81 240.337 39.078 -24.158 1.00 1.09 H +ATOM 1177 HG1 THR A 81 239.229 40.975 -22.945 1.00 1.60 H +ATOM 1178 HG21 THR A 81 237.973 39.116 -23.826 1.00 1.78 H +ATOM 1179 HG22 THR A 81 238.147 39.043 -22.069 1.00 1.87 H +ATOM 1180 HG23 THR A 81 238.543 37.630 -23.058 1.00 1.97 H +ATOM 1181 N VAL A 82 241.727 36.820 -23.883 1.00 0.68 N +ATOM 1182 CA VAL A 82 241.902 35.465 -24.478 1.00 0.70 C +ATOM 1183 C VAL A 82 242.469 34.513 -23.423 1.00 0.72 C +ATOM 1184 O VAL A 82 242.094 33.362 -23.349 1.00 0.72 O +ATOM 1185 CB VAL A 82 242.864 35.545 -25.665 1.00 0.77 C +ATOM 1186 CG1 VAL A 82 242.289 36.486 -26.724 1.00 0.77 C +ATOM 1187 CG2 VAL A 82 244.215 36.079 -25.186 1.00 0.82 C +ATOM 1188 H VAL A 82 242.113 37.604 -24.326 1.00 0.69 H +ATOM 1189 HA VAL A 82 240.945 35.096 -24.816 1.00 0.67 H +ATOM 1190 HB VAL A 82 242.995 34.558 -26.092 1.00 0.80 H +ATOM 1191 HG11 VAL A 82 241.468 36.001 -27.230 1.00 1.21 H +ATOM 1192 HG12 VAL A 82 243.059 36.734 -27.441 1.00 1.27 H +ATOM 1193 HG13 VAL A 82 241.935 37.391 -26.247 1.00 1.21 H +ATOM 1194 HG21 VAL A 82 244.722 35.314 -24.618 1.00 1.24 H +ATOM 1195 HG22 VAL A 82 244.058 36.945 -24.562 1.00 1.33 H +ATOM 1196 HG23 VAL A 82 244.816 36.352 -26.037 1.00 1.37 H +ATOM 1197 N GLU A 83 243.367 34.985 -22.603 1.00 0.78 N +ATOM 1198 CA GLU A 83 243.954 34.103 -21.555 1.00 0.84 C +ATOM 1199 C GLU A 83 242.852 33.661 -20.591 1.00 0.83 C +ATOM 1200 O GLU A 83 242.758 32.504 -20.226 1.00 0.85 O +ATOM 1201 CB GLU A 83 245.032 34.868 -20.785 1.00 0.95 C +ATOM 1202 CG GLU A 83 246.232 35.108 -21.699 1.00 1.36 C +ATOM 1203 CD GLU A 83 247.269 35.960 -20.968 1.00 1.80 C +ATOM 1204 OE1 GLU A 83 247.033 36.295 -19.820 1.00 2.43 O +ATOM 1205 OE2 GLU A 83 248.288 36.262 -21.567 1.00 2.34 O +ATOM 1206 H GLU A 83 243.655 35.919 -22.675 1.00 0.79 H +ATOM 1207 HA GLU A 83 244.393 33.233 -22.022 1.00 0.86 H +ATOM 1208 HB2 GLU A 83 244.635 35.815 -20.451 1.00 1.32 H +ATOM 1209 HB3 GLU A 83 245.344 34.287 -19.930 1.00 1.18 H +ATOM 1210 HG2 GLU A 83 246.673 34.160 -21.971 1.00 1.80 H +ATOM 1211 HG3 GLU A 83 245.912 35.622 -22.592 1.00 1.97 H +ATOM 1212 N GLY A 84 242.011 34.570 -20.180 1.00 0.84 N +ATOM 1213 CA GLY A 84 240.914 34.200 -19.242 1.00 0.90 C +ATOM 1214 C GLY A 84 240.073 33.082 -19.860 1.00 0.82 C +ATOM 1215 O GLY A 84 239.442 32.312 -19.165 1.00 0.87 O +ATOM 1216 H GLY A 84 242.099 35.495 -20.490 1.00 0.84 H +ATOM 1217 HA2 GLY A 84 241.338 33.861 -18.307 1.00 0.97 H +ATOM 1218 HA3 GLY A 84 240.287 35.060 -19.061 1.00 0.99 H +ATOM 1219 N ALA A 85 240.060 32.987 -21.162 1.00 0.75 N +ATOM 1220 CA ALA A 85 239.261 31.918 -21.823 1.00 0.78 C +ATOM 1221 C ALA A 85 239.719 30.552 -21.308 1.00 0.76 C +ATOM 1222 O ALA A 85 238.930 29.642 -21.152 1.00 0.81 O +ATOM 1223 CB ALA A 85 239.467 31.989 -23.337 1.00 0.83 C +ATOM 1224 H ALA A 85 240.577 33.619 -21.704 1.00 0.74 H +ATOM 1225 HA ALA A 85 238.215 32.057 -21.595 1.00 0.86 H +ATOM 1226 HB1 ALA A 85 239.372 33.012 -23.665 1.00 1.45 H +ATOM 1227 HB2 ALA A 85 238.724 31.384 -23.830 1.00 1.34 H +ATOM 1228 HB3 ALA A 85 240.454 31.623 -23.584 1.00 1.15 H +ATOM 1229 N GLY A 86 240.988 30.403 -21.042 1.00 0.78 N +ATOM 1230 CA GLY A 86 241.494 29.096 -20.535 1.00 0.87 C +ATOM 1231 C GLY A 86 240.656 28.658 -19.334 1.00 0.88 C +ATOM 1232 O GLY A 86 240.273 27.509 -19.217 1.00 0.93 O +ATOM 1233 H GLY A 86 241.607 31.151 -21.173 1.00 0.79 H +ATOM 1234 HA2 GLY A 86 241.419 28.355 -21.314 1.00 0.90 H +ATOM 1235 HA3 GLY A 86 242.523 29.203 -20.229 1.00 0.97 H +ATOM 1236 N SER A 87 240.365 29.564 -18.441 1.00 0.92 N +ATOM 1237 CA SER A 87 239.549 29.200 -17.249 1.00 1.04 C +ATOM 1238 C SER A 87 238.187 28.677 -17.707 1.00 1.01 C +ATOM 1239 O SER A 87 237.671 27.712 -17.178 1.00 1.10 O +ATOM 1240 CB SER A 87 239.352 30.435 -16.369 1.00 1.19 C +ATOM 1241 OG SER A 87 238.611 30.077 -15.211 1.00 1.62 O +ATOM 1242 H SER A 87 240.681 30.485 -18.555 1.00 0.92 H +ATOM 1243 HA SER A 87 240.058 28.433 -16.684 1.00 1.12 H +ATOM 1244 HB2 SER A 87 240.311 30.823 -16.066 1.00 1.31 H +ATOM 1245 HB3 SER A 87 238.818 31.189 -16.929 1.00 1.27 H +ATOM 1246 HG SER A 87 238.525 30.858 -14.656 1.00 1.87 H +ATOM 1247 N ILE A 88 237.600 29.306 -18.689 1.00 0.95 N +ATOM 1248 CA ILE A 88 236.273 28.842 -19.181 1.00 1.07 C +ATOM 1249 C ILE A 88 236.399 27.411 -19.706 1.00 1.09 C +ATOM 1250 O ILE A 88 235.558 26.572 -19.457 1.00 1.23 O +ATOM 1251 CB ILE A 88 235.798 29.761 -20.308 1.00 1.12 C +ATOM 1252 CG1 ILE A 88 235.795 31.214 -19.815 1.00 1.37 C +ATOM 1253 CG2 ILE A 88 234.380 29.364 -20.726 1.00 1.64 C +ATOM 1254 CD1 ILE A 88 235.417 32.154 -20.968 1.00 1.95 C +ATOM 1255 H ILE A 88 238.033 30.081 -19.103 1.00 0.89 H +ATOM 1256 HA ILE A 88 235.559 28.867 -18.371 1.00 1.20 H +ATOM 1257 HB ILE A 88 236.463 29.668 -21.152 1.00 1.31 H +ATOM 1258 HG12 ILE A 88 235.077 31.319 -19.015 1.00 1.76 H +ATOM 1259 HG13 ILE A 88 236.779 31.471 -19.451 1.00 1.92 H +ATOM 1260 HG21 ILE A 88 234.374 28.339 -21.067 1.00 2.09 H +ATOM 1261 HG22 ILE A 88 234.046 30.006 -21.527 1.00 1.95 H +ATOM 1262 HG23 ILE A 88 233.716 29.465 -19.882 1.00 2.17 H +ATOM 1263 HD11 ILE A 88 235.728 33.160 -20.730 1.00 2.47 H +ATOM 1264 HD12 ILE A 88 234.349 32.134 -21.110 1.00 2.37 H +ATOM 1265 HD13 ILE A 88 235.905 31.832 -21.876 1.00 2.33 H +ATOM 1266 N ALA A 89 237.448 27.124 -20.428 1.00 1.02 N +ATOM 1267 CA ALA A 89 237.628 25.745 -20.965 1.00 1.13 C +ATOM 1268 C ALA A 89 237.531 24.738 -19.817 1.00 1.19 C +ATOM 1269 O ALA A 89 236.936 23.689 -19.948 1.00 1.33 O +ATOM 1270 CB ALA A 89 239.001 25.631 -21.630 1.00 1.15 C +ATOM 1271 H ALA A 89 238.118 27.814 -20.615 1.00 0.93 H +ATOM 1272 HA ALA A 89 236.856 25.538 -21.692 1.00 1.26 H +ATOM 1273 HB1 ALA A 89 239.166 24.609 -21.943 1.00 1.67 H +ATOM 1274 HB2 ALA A 89 239.766 25.918 -20.927 1.00 1.44 H +ATOM 1275 HB3 ALA A 89 239.037 26.284 -22.495 1.00 1.49 H +ATOM 1276 N ALA A 90 238.113 25.051 -18.692 1.00 1.15 N +ATOM 1277 CA ALA A 90 238.053 24.113 -17.536 1.00 1.29 C +ATOM 1278 C ALA A 90 236.604 23.979 -17.067 1.00 1.39 C +ATOM 1279 O ALA A 90 236.112 22.891 -16.833 1.00 1.54 O +ATOM 1280 CB ALA A 90 238.912 24.656 -16.392 1.00 1.36 C +ATOM 1281 H ALA A 90 238.589 25.904 -18.606 1.00 1.08 H +ATOM 1282 HA ALA A 90 238.425 23.145 -17.838 1.00 1.36 H +ATOM 1283 HB1 ALA A 90 239.937 24.762 -16.728 1.00 1.88 H +ATOM 1284 HB2 ALA A 90 238.873 23.972 -15.558 1.00 1.74 H +ATOM 1285 HB3 ALA A 90 238.534 25.619 -16.083 1.00 1.53 H +ATOM 1286 N ALA A 91 235.913 25.077 -16.926 1.00 1.38 N +ATOM 1287 CA ALA A 91 234.495 25.012 -16.474 1.00 1.59 C +ATOM 1288 C ALA A 91 233.712 24.072 -17.392 1.00 1.71 C +ATOM 1289 O ALA A 91 232.910 23.278 -16.944 1.00 1.93 O +ATOM 1290 CB ALA A 91 233.877 26.410 -16.528 1.00 1.61 C +ATOM 1291 H ALA A 91 236.327 25.944 -17.118 1.00 1.28 H +ATOM 1292 HA ALA A 91 234.457 24.640 -15.460 1.00 1.72 H +ATOM 1293 HB1 ALA A 91 234.367 27.049 -15.808 1.00 1.91 H +ATOM 1294 HB2 ALA A 91 232.825 26.346 -16.293 1.00 1.85 H +ATOM 1295 HB3 ALA A 91 234.001 26.821 -17.518 1.00 1.92 H +ATOM 1296 N THR A 92 233.934 24.160 -18.675 1.00 1.66 N +ATOM 1297 CA THR A 92 233.202 23.271 -19.620 1.00 1.89 C +ATOM 1298 C THR A 92 233.827 21.876 -19.592 1.00 1.98 C +ATOM 1299 O THR A 92 233.141 20.878 -19.487 1.00 2.13 O +ATOM 1300 CB THR A 92 233.294 23.844 -21.036 1.00 1.93 C +ATOM 1301 OG1 THR A 92 232.972 25.226 -21.004 1.00 1.88 O +ATOM 1302 CG2 THR A 92 232.313 23.112 -21.953 1.00 2.24 C +ATOM 1303 H THR A 92 234.583 24.810 -19.017 1.00 1.52 H +ATOM 1304 HA THR A 92 232.165 23.208 -19.324 1.00 2.04 H +ATOM 1305 HB THR A 92 234.299 23.717 -21.410 1.00 1.85 H +ATOM 1306 HG1 THR A 92 233.435 25.659 -21.726 1.00 2.16 H +ATOM 1307 HG21 THR A 92 232.456 23.438 -22.972 1.00 2.46 H +ATOM 1308 HG22 THR A 92 231.303 23.332 -21.647 1.00 2.43 H +ATOM 1309 HG23 THR A 92 232.484 22.049 -21.889 1.00 2.71 H +ATOM 1310 N GLY A 93 235.126 21.796 -19.685 1.00 1.94 N +ATOM 1311 CA GLY A 93 235.794 20.465 -19.663 1.00 2.08 C +ATOM 1312 C GLY A 93 235.898 19.970 -18.221 1.00 1.89 C +ATOM 1313 O GLY A 93 236.833 20.280 -17.513 1.00 2.11 O +ATOM 1314 H GLY A 93 235.662 22.612 -19.768 1.00 1.83 H +ATOM 1315 HA2 GLY A 93 235.214 19.763 -20.244 1.00 2.22 H +ATOM 1316 HA3 GLY A 93 236.786 20.552 -20.081 1.00 2.44 H +ATOM 1317 N PHE A 94 234.945 19.196 -17.781 1.00 1.84 N +ATOM 1318 CA PHE A 94 234.991 18.679 -16.386 1.00 2.04 C +ATOM 1319 C PHE A 94 236.264 17.852 -16.195 1.00 2.21 C +ATOM 1320 O PHE A 94 236.727 17.190 -17.102 1.00 2.23 O +ATOM 1321 CB PHE A 94 233.761 17.804 -16.131 1.00 2.31 C +ATOM 1322 CG PHE A 94 232.512 18.601 -16.426 1.00 2.63 C +ATOM 1323 CD1 PHE A 94 231.991 18.630 -17.724 1.00 3.18 C +ATOM 1324 CD2 PHE A 94 231.877 19.314 -15.400 1.00 3.12 C +ATOM 1325 CE1 PHE A 94 230.836 19.371 -17.997 1.00 3.92 C +ATOM 1326 CE2 PHE A 94 230.722 20.056 -15.674 1.00 3.79 C +ATOM 1327 CZ PHE A 94 230.202 20.084 -16.973 1.00 4.10 C +ATOM 1328 H PHE A 94 234.200 18.952 -18.369 1.00 1.91 H +ATOM 1329 HA PHE A 94 234.992 19.509 -15.694 1.00 2.25 H +ATOM 1330 HB2 PHE A 94 233.797 16.938 -16.778 1.00 2.37 H +ATOM 1331 HB3 PHE A 94 233.749 17.486 -15.102 1.00 2.79 H +ATOM 1332 HD1 PHE A 94 232.481 18.081 -18.514 1.00 3.41 H +ATOM 1333 HD2 PHE A 94 232.278 19.290 -14.399 1.00 3.39 H +ATOM 1334 HE1 PHE A 94 230.432 19.392 -18.997 1.00 4.63 H +ATOM 1335 HE2 PHE A 94 230.231 20.604 -14.886 1.00 4.37 H +ATOM 1336 HZ PHE A 94 229.312 20.656 -17.184 1.00 4.79 H +ATOM 1337 N VAL A 95 236.836 17.884 -15.023 1.00 2.59 N +ATOM 1338 CA VAL A 95 238.080 17.099 -14.782 1.00 2.95 C +ATOM 1339 C VAL A 95 237.849 15.644 -15.206 1.00 2.86 C +ATOM 1340 O VAL A 95 237.236 14.871 -14.498 1.00 2.99 O +ATOM 1341 CB VAL A 95 238.446 17.162 -13.289 1.00 3.58 C +ATOM 1342 CG1 VAL A 95 239.190 18.468 -12.993 1.00 3.96 C +ATOM 1343 CG2 VAL A 95 237.166 17.111 -12.448 1.00 3.97 C +ATOM 1344 H VAL A 95 236.449 18.425 -14.305 1.00 2.77 H +ATOM 1345 HA VAL A 95 238.885 17.516 -15.371 1.00 3.02 H +ATOM 1346 HB VAL A 95 239.082 16.322 -13.034 1.00 3.93 H +ATOM 1347 HG11 VAL A 95 240.146 18.459 -13.496 1.00 4.22 H +ATOM 1348 HG12 VAL A 95 239.343 18.561 -11.931 1.00 4.12 H +ATOM 1349 HG13 VAL A 95 238.607 19.303 -13.345 1.00 4.30 H +ATOM 1350 HG21 VAL A 95 237.420 16.907 -11.419 1.00 4.20 H +ATOM 1351 HG22 VAL A 95 236.519 16.328 -12.819 1.00 4.20 H +ATOM 1352 HG23 VAL A 95 236.655 18.060 -12.512 1.00 4.33 H +ATOM 1353 N LYS A 96 238.335 15.267 -16.360 1.00 2.87 N +ATOM 1354 CA LYS A 96 238.143 13.864 -16.832 1.00 2.92 C +ATOM 1355 C LYS A 96 238.475 12.890 -15.697 1.00 3.33 C +ATOM 1356 O LYS A 96 239.099 13.249 -14.721 1.00 3.82 O +ATOM 1357 CB LYS A 96 239.066 13.593 -18.025 1.00 3.28 C +ATOM 1358 CG LYS A 96 238.538 12.412 -18.845 1.00 3.63 C +ATOM 1359 CD LYS A 96 239.408 12.233 -20.089 1.00 3.90 C +ATOM 1360 CE LYS A 96 238.928 11.013 -20.876 1.00 4.67 C +ATOM 1361 NZ LYS A 96 237.549 11.255 -21.384 1.00 5.01 N +ATOM 1362 H LYS A 96 238.825 15.908 -16.917 1.00 2.99 H +ATOM 1363 HA LYS A 96 237.115 13.726 -17.134 1.00 2.84 H +ATOM 1364 HB2 LYS A 96 239.105 14.473 -18.653 1.00 3.52 H +ATOM 1365 HB3 LYS A 96 240.062 13.368 -17.670 1.00 3.72 H +ATOM 1366 HG2 LYS A 96 238.570 11.511 -18.249 1.00 4.02 H +ATOM 1367 HG3 LYS A 96 237.521 12.609 -19.146 1.00 3.92 H +ATOM 1368 HD2 LYS A 96 239.334 13.115 -20.704 1.00 3.93 H +ATOM 1369 HD3 LYS A 96 240.436 12.086 -19.794 1.00 4.09 H +ATOM 1370 HE2 LYS A 96 239.587 10.837 -21.708 1.00 5.13 H +ATOM 1371 HE3 LYS A 96 238.927 10.148 -20.232 1.00 4.98 H +ATOM 1372 HZ1 LYS A 96 237.559 11.267 -22.422 1.00 5.45 H +ATOM 1373 HZ2 LYS A 96 237.203 12.173 -21.030 1.00 5.10 H +ATOM 1374 HZ3 LYS A 96 236.920 10.495 -21.055 1.00 5.14 H +ATOM 1375 N LYS A 97 238.052 11.660 -15.814 1.00 3.40 N +ATOM 1376 CA LYS A 97 238.337 10.665 -14.741 1.00 3.96 C +ATOM 1377 C LYS A 97 238.308 9.252 -15.331 1.00 4.01 C +ATOM 1378 O LYS A 97 237.257 8.697 -15.588 1.00 3.79 O +ATOM 1379 CB LYS A 97 237.269 10.789 -13.648 1.00 4.31 C +ATOM 1380 CG LYS A 97 235.912 11.096 -14.292 1.00 4.55 C +ATOM 1381 CD LYS A 97 234.791 10.816 -13.286 1.00 5.16 C +ATOM 1382 CE LYS A 97 234.943 11.728 -12.055 1.00 5.79 C +ATOM 1383 NZ LYS A 97 235.805 11.048 -11.045 1.00 6.31 N +ATOM 1384 H LYS A 97 237.543 11.391 -16.607 1.00 3.26 H +ATOM 1385 HA LYS A 97 239.312 10.857 -14.316 1.00 4.34 H +ATOM 1386 HB2 LYS A 97 237.207 9.864 -13.088 1.00 4.61 H +ATOM 1387 HB3 LYS A 97 237.533 11.595 -12.977 1.00 4.58 H +ATOM 1388 HG2 LYS A 97 235.881 12.132 -14.587 1.00 4.84 H +ATOM 1389 HG3 LYS A 97 235.773 10.473 -15.163 1.00 4.51 H +ATOM 1390 HD2 LYS A 97 233.837 11.002 -13.755 1.00 5.37 H +ATOM 1391 HD3 LYS A 97 234.837 9.786 -12.976 1.00 5.37 H +ATOM 1392 HE2 LYS A 97 235.399 12.666 -12.342 1.00 5.99 H +ATOM 1393 HE3 LYS A 97 233.969 11.921 -11.626 1.00 6.06 H +ATOM 1394 HZ1 LYS A 97 236.674 10.708 -11.503 1.00 6.41 H +ATOM 1395 HZ2 LYS A 97 235.290 10.242 -10.633 1.00 6.43 H +ATOM 1396 HZ3 LYS A 97 236.055 11.721 -10.293 1.00 6.79 H +ATOM 1397 N ASP A 98 239.455 8.671 -15.566 1.00 4.55 N +ATOM 1398 CA ASP A 98 239.500 7.297 -16.159 1.00 4.79 C +ATOM 1399 C ASP A 98 239.626 6.252 -15.049 1.00 5.00 C +ATOM 1400 O ASP A 98 240.626 6.177 -14.364 1.00 5.47 O +ATOM 1401 CB ASP A 98 240.702 7.195 -17.099 1.00 5.25 C +ATOM 1402 CG ASP A 98 240.574 5.938 -17.959 1.00 5.54 C +ATOM 1403 OD1 ASP A 98 240.152 4.924 -17.431 1.00 5.96 O +ATOM 1404 OD2 ASP A 98 240.906 6.011 -19.130 1.00 5.72 O +ATOM 1405 H ASP A 98 240.292 9.144 -15.364 1.00 4.93 H +ATOM 1406 HA ASP A 98 238.597 7.111 -16.722 1.00 4.75 H +ATOM 1407 HB2 ASP A 98 240.736 8.067 -17.737 1.00 5.37 H +ATOM 1408 HB3 ASP A 98 241.611 7.137 -16.517 1.00 5.64 H +ATOM 1409 N GLN A 99 238.620 5.437 -14.871 1.00 4.95 N +ATOM 1410 CA GLN A 99 238.686 4.391 -13.809 1.00 5.34 C +ATOM 1411 C GLN A 99 237.433 3.509 -13.882 1.00 5.40 C +ATOM 1412 O GLN A 99 237.467 2.342 -13.544 1.00 5.60 O +ATOM 1413 CB GLN A 99 238.755 5.067 -12.434 1.00 5.82 C +ATOM 1414 CG GLN A 99 237.765 6.236 -12.385 1.00 5.91 C +ATOM 1415 CD GLN A 99 237.520 6.640 -10.927 1.00 6.76 C +ATOM 1416 OE1 GLN A 99 236.540 6.241 -10.328 1.00 7.26 O +ATOM 1417 NE2 GLN A 99 238.375 7.416 -10.326 1.00 7.23 N +ATOM 1418 H GLN A 99 237.826 5.508 -15.439 1.00 4.87 H +ATOM 1419 HA GLN A 99 239.566 3.780 -13.956 1.00 5.61 H +ATOM 1420 HB2 GLN A 99 238.503 4.348 -11.666 1.00 6.24 H +ATOM 1421 HB3 GLN A 99 239.755 5.438 -12.264 1.00 6.08 H +ATOM 1422 HG2 GLN A 99 238.176 7.077 -12.932 1.00 5.69 H +ATOM 1423 HG3 GLN A 99 236.827 5.936 -12.833 1.00 6.00 H +ATOM 1424 HE21 GLN A 99 239.167 7.737 -10.805 1.00 7.07 H +ATOM 1425 HE22 GLN A 99 238.223 7.682 -9.393 1.00 7.91 H +ATOM 1426 N LEU A 100 236.329 4.067 -14.318 1.00 5.54 N +ATOM 1427 CA LEU A 100 235.053 3.286 -14.415 1.00 5.81 C +ATOM 1428 C LEU A 100 234.671 3.101 -15.884 1.00 5.81 C +ATOM 1429 O LEU A 100 235.096 3.845 -16.748 1.00 6.19 O +ATOM 1430 CB LEU A 100 233.929 4.057 -13.712 1.00 6.54 C +ATOM 1431 CG LEU A 100 234.192 4.128 -12.200 1.00 7.15 C +ATOM 1432 CD1 LEU A 100 233.235 5.146 -11.575 1.00 7.54 C +ATOM 1433 CD2 LEU A 100 233.972 2.747 -11.547 1.00 7.54 C +ATOM 1434 H LEU A 100 236.338 5.012 -14.579 1.00 5.67 H +ATOM 1435 HA LEU A 100 235.170 2.316 -13.954 1.00 5.86 H +ATOM 1436 HB2 LEU A 100 233.879 5.058 -14.114 1.00 6.74 H +ATOM 1437 HB3 LEU A 100 232.989 3.561 -13.892 1.00 6.77 H +ATOM 1438 HG LEU A 100 235.211 4.451 -12.030 1.00 7.43 H +ATOM 1439 HD11 LEU A 100 232.232 4.959 -11.931 1.00 7.75 H +ATOM 1440 HD12 LEU A 100 233.540 6.145 -11.859 1.00 7.83 H +ATOM 1441 HD13 LEU A 100 233.263 5.050 -10.501 1.00 7.62 H +ATOM 1442 HD21 LEU A 100 233.125 2.258 -12.000 1.00 7.75 H +ATOM 1443 HD22 LEU A 100 233.787 2.871 -10.488 1.00 7.64 H +ATOM 1444 HD23 LEU A 100 234.852 2.140 -11.681 1.00 7.83 H +ATOM 1445 N GLY A 101 233.864 2.108 -16.169 1.00 5.72 N +ATOM 1446 CA GLY A 101 233.424 1.846 -17.576 1.00 6.03 C +ATOM 1447 C GLY A 101 231.900 1.695 -17.603 1.00 6.35 C +ATOM 1448 O GLY A 101 231.300 1.523 -18.646 1.00 6.59 O +ATOM 1449 H GLY A 101 233.537 1.528 -15.448 1.00 5.68 H +ATOM 1450 HA2 GLY A 101 233.716 2.668 -18.216 1.00 6.26 H +ATOM 1451 HA3 GLY A 101 233.877 0.937 -17.932 1.00 6.11 H +ATOM 1452 N LYS A 102 231.273 1.759 -16.460 1.00 6.63 N +ATOM 1453 CA LYS A 102 229.791 1.622 -16.403 1.00 7.13 C +ATOM 1454 C LYS A 102 229.356 0.405 -17.225 1.00 7.38 C +ATOM 1455 O LYS A 102 229.090 0.504 -18.406 1.00 7.58 O +ATOM 1456 CB LYS A 102 229.129 2.885 -16.964 1.00 7.56 C +ATOM 1457 CG LYS A 102 227.659 2.932 -16.538 1.00 8.14 C +ATOM 1458 CD LYS A 102 227.036 4.258 -16.983 1.00 8.58 C +ATOM 1459 CE LYS A 102 225.597 4.340 -16.471 1.00 9.20 C +ATOM 1460 NZ LYS A 102 224.806 3.209 -17.029 1.00 9.81 N +ATOM 1461 H LYS A 102 231.780 1.896 -15.635 1.00 6.69 H +ATOM 1462 HA LYS A 102 229.492 1.485 -15.376 1.00 7.22 H +ATOM 1463 HB2 LYS A 102 229.642 3.755 -16.584 1.00 7.51 H +ATOM 1464 HB3 LYS A 102 229.189 2.872 -18.043 1.00 7.78 H +ATOM 1465 HG2 LYS A 102 227.126 2.111 -16.996 1.00 8.50 H +ATOM 1466 HG3 LYS A 102 227.592 2.849 -15.463 1.00 8.16 H +ATOM 1467 HD2 LYS A 102 227.611 5.079 -16.580 1.00 8.54 H +ATOM 1468 HD3 LYS A 102 227.035 4.310 -18.063 1.00 8.76 H +ATOM 1469 HE2 LYS A 102 225.596 4.283 -15.392 1.00 9.25 H +ATOM 1470 HE3 LYS A 102 225.156 5.275 -16.784 1.00 9.41 H +ATOM 1471 HZ1 LYS A 102 225.056 2.331 -16.531 1.00 10.04 H +ATOM 1472 HZ2 LYS A 102 225.021 3.107 -18.042 1.00 9.92 H +ATOM 1473 HZ3 LYS A 102 223.793 3.398 -16.909 1.00 10.10 H +ATOM 1474 N ASN A 103 229.282 -0.745 -16.609 1.00 7.62 N +ATOM 1475 CA ASN A 103 228.863 -1.973 -17.347 1.00 8.04 C +ATOM 1476 C ASN A 103 228.041 -2.863 -16.417 1.00 8.26 C +ATOM 1477 O ASN A 103 228.505 -3.879 -15.940 1.00 8.45 O +ATOM 1478 CB ASN A 103 230.108 -2.734 -17.808 1.00 8.10 C +ATOM 1479 CG ASN A 103 230.905 -1.867 -18.782 1.00 8.29 C +ATOM 1480 OD1 ASN A 103 230.363 -1.352 -19.739 1.00 8.55 O +ATOM 1481 ND2 ASN A 103 232.179 -1.679 -18.574 1.00 8.47 N +ATOM 1482 H ASN A 103 229.503 -0.802 -15.657 1.00 7.69 H +ATOM 1483 HA ASN A 103 228.265 -1.702 -18.206 1.00 8.40 H +ATOM 1484 HB2 ASN A 103 230.719 -2.971 -16.950 1.00 8.40 H +ATOM 1485 HB3 ASN A 103 229.811 -3.647 -18.299 1.00 8.03 H +ATOM 1486 HD21 ASN A 103 232.614 -2.090 -17.799 1.00 8.46 H +ATOM 1487 HD22 ASN A 103 232.700 -1.124 -19.192 1.00 8.79 H +ATOM 1488 N GLU A 104 226.820 -2.488 -16.145 1.00 8.47 N +ATOM 1489 CA GLU A 104 225.976 -3.314 -15.236 1.00 8.88 C +ATOM 1490 C GLU A 104 225.700 -4.672 -15.888 1.00 8.80 C +ATOM 1491 O GLU A 104 225.754 -5.695 -15.240 1.00 8.54 O +ATOM 1492 CB GLU A 104 224.660 -2.576 -14.939 1.00 9.35 C +ATOM 1493 CG GLU A 104 223.776 -2.498 -16.190 1.00 9.73 C +ATOM 1494 CD GLU A 104 224.539 -1.806 -17.321 1.00 10.26 C +ATOM 1495 OE1 GLU A 104 225.117 -0.762 -17.068 1.00 10.62 O +ATOM 1496 OE2 GLU A 104 224.534 -2.334 -18.422 1.00 10.50 O +ATOM 1497 H GLU A 104 226.462 -1.663 -16.531 1.00 8.51 H +ATOM 1498 HA GLU A 104 226.508 -3.471 -14.310 1.00 9.14 H +ATOM 1499 HB2 GLU A 104 224.126 -3.103 -14.165 1.00 9.44 H +ATOM 1500 HB3 GLU A 104 224.882 -1.576 -14.599 1.00 9.59 H +ATOM 1501 HG2 GLU A 104 223.484 -3.490 -16.498 1.00 9.84 H +ATOM 1502 HG3 GLU A 104 222.889 -1.924 -15.961 1.00 9.77 H +ATOM 1503 N GLU A 105 225.413 -4.684 -17.165 1.00 9.25 N +ATOM 1504 CA GLU A 105 225.136 -5.971 -17.881 1.00 9.39 C +ATOM 1505 C GLU A 105 224.555 -5.644 -19.268 1.00 9.66 C +ATOM 1506 O GLU A 105 223.521 -5.015 -19.384 1.00 9.84 O +ATOM 1507 CB GLU A 105 224.127 -6.843 -17.070 1.00 9.80 C +ATOM 1508 CG GLU A 105 224.818 -8.103 -16.517 1.00 10.32 C +ATOM 1509 CD GLU A 105 223.924 -8.764 -15.469 1.00 10.66 C +ATOM 1510 OE1 GLU A 105 223.524 -8.074 -14.547 1.00 10.87 O +ATOM 1511 OE2 GLU A 105 223.658 -9.947 -15.607 1.00 10.89 O +ATOM 1512 H GLU A 105 225.383 -3.842 -17.660 1.00 9.63 H +ATOM 1513 HA GLU A 105 226.068 -6.506 -18.011 1.00 9.25 H +ATOM 1514 HB2 GLU A 105 223.727 -6.270 -16.250 1.00 9.75 H +ATOM 1515 HB3 GLU A 105 223.310 -7.150 -17.708 1.00 10.03 H +ATOM 1516 HG2 GLU A 105 224.995 -8.797 -17.327 1.00 10.57 H +ATOM 1517 HG3 GLU A 105 225.760 -7.837 -16.069 1.00 10.43 H +ATOM 1518 N GLY A 106 225.205 -6.073 -20.313 1.00 9.89 N +ATOM 1519 CA GLY A 106 224.685 -5.797 -21.681 1.00 10.35 C +ATOM 1520 C GLY A 106 223.550 -6.778 -21.997 1.00 10.43 C +ATOM 1521 O GLY A 106 223.427 -7.263 -23.106 1.00 10.73 O +ATOM 1522 H GLY A 106 226.034 -6.585 -20.200 1.00 9.89 H +ATOM 1523 HA2 GLY A 106 224.314 -4.781 -21.726 1.00 10.65 H +ATOM 1524 HA3 GLY A 106 225.481 -5.926 -22.398 1.00 10.51 H +ATOM 1525 N ALA A 107 222.732 -7.079 -21.027 1.00 10.35 N +ATOM 1526 CA ALA A 107 221.614 -8.030 -21.256 1.00 10.57 C +ATOM 1527 C ALA A 107 222.151 -9.319 -21.889 1.00 10.53 C +ATOM 1528 O ALA A 107 221.702 -9.731 -22.936 1.00 10.82 O +ATOM 1529 CB ALA A 107 220.587 -7.390 -22.195 1.00 11.04 C +ATOM 1530 H ALA A 107 222.859 -6.684 -20.139 1.00 10.27 H +ATOM 1531 HA ALA A 107 221.144 -8.262 -20.313 1.00 10.65 H +ATOM 1532 HB1 ALA A 107 220.070 -6.594 -21.678 1.00 11.24 H +ATOM 1533 HB2 ALA A 107 219.876 -8.138 -22.508 1.00 11.22 H +ATOM 1534 HB3 ALA A 107 221.092 -6.986 -23.060 1.00 11.20 H +ATOM 1535 N PRO A 108 223.105 -9.952 -21.253 1.00 10.35 N +ATOM 1536 CA PRO A 108 223.712 -11.218 -21.759 1.00 10.46 C +ATOM 1537 C PRO A 108 222.823 -12.435 -21.468 1.00 10.47 C +ATOM 1538 O PRO A 108 223.219 -13.359 -20.786 1.00 10.45 O +ATOM 1539 CB PRO A 108 225.027 -11.302 -20.979 1.00 10.48 C +ATOM 1540 CG PRO A 108 224.713 -10.665 -19.666 1.00 10.43 C +ATOM 1541 CD PRO A 108 223.719 -9.538 -19.973 1.00 10.25 C +ATOM 1542 HA PRO A 108 223.918 -11.143 -22.814 1.00 10.72 H +ATOM 1543 HB2 PRO A 108 225.328 -12.333 -20.844 1.00 10.46 H +ATOM 1544 HB3 PRO A 108 225.800 -10.744 -21.485 1.00 10.75 H +ATOM 1545 HG2 PRO A 108 224.265 -11.392 -19.001 1.00 10.54 H +ATOM 1546 HG3 PRO A 108 225.606 -10.255 -19.222 1.00 10.59 H +ATOM 1547 HD2 PRO A 108 222.972 -9.464 -19.192 1.00 10.26 H +ATOM 1548 HD3 PRO A 108 224.239 -8.604 -20.091 1.00 10.24 H +ATOM 1549 N GLN A 109 221.618 -12.438 -21.971 1.00 10.69 N +ATOM 1550 CA GLN A 109 220.711 -13.593 -21.712 1.00 10.86 C +ATOM 1551 C GLN A 109 221.375 -14.888 -22.190 1.00 10.48 C +ATOM 1552 O GLN A 109 222.330 -15.358 -21.606 1.00 10.53 O +ATOM 1553 CB GLN A 109 219.395 -13.391 -22.464 1.00 11.07 C +ATOM 1554 CG GLN A 109 218.647 -12.200 -21.866 1.00 11.24 C +ATOM 1555 CD GLN A 109 217.326 -12.001 -22.609 1.00 11.64 C +ATOM 1556 OE1 GLN A 109 216.577 -12.939 -22.798 1.00 11.81 O +ATOM 1557 NE2 GLN A 109 217.004 -10.811 -23.040 1.00 12.00 N +ATOM 1558 H GLN A 109 221.309 -11.681 -22.512 1.00 10.87 H +ATOM 1559 HA GLN A 109 220.511 -13.663 -20.653 1.00 11.28 H +ATOM 1560 HB2 GLN A 109 219.603 -13.201 -23.507 1.00 11.11 H +ATOM 1561 HB3 GLN A 109 218.787 -14.280 -22.370 1.00 11.31 H +ATOM 1562 HG2 GLN A 109 218.446 -12.386 -20.821 1.00 11.29 H +ATOM 1563 HG3 GLN A 109 219.249 -11.311 -21.966 1.00 11.27 H +ATOM 1564 HE21 GLN A 109 217.607 -10.054 -22.887 1.00 12.01 H +ATOM 1565 HE22 GLN A 109 216.160 -10.673 -23.515 1.00 12.39 H +ATOM 1566 N GLU A 110 220.878 -15.469 -23.249 1.00 10.29 N +ATOM 1567 CA GLU A 110 221.488 -16.734 -23.756 1.00 10.06 C +ATOM 1568 C GLU A 110 220.873 -17.086 -25.115 1.00 10.19 C +ATOM 1569 O GLU A 110 221.412 -17.876 -25.863 1.00 10.41 O +ATOM 1570 CB GLU A 110 221.212 -17.867 -22.758 1.00 10.21 C +ATOM 1571 CG GLU A 110 221.979 -19.126 -23.177 1.00 10.04 C +ATOM 1572 CD GLU A 110 221.759 -20.229 -22.137 1.00 10.50 C +ATOM 1573 OE1 GLU A 110 220.617 -20.451 -21.772 1.00 10.75 O +ATOM 1574 OE2 GLU A 110 222.734 -20.833 -21.725 1.00 10.80 O +ATOM 1575 H GLU A 110 220.109 -15.076 -23.711 1.00 10.43 H +ATOM 1576 HA GLU A 110 222.555 -16.602 -23.864 1.00 9.91 H +ATOM 1577 HB2 GLU A 110 221.530 -17.565 -21.771 1.00 10.52 H +ATOM 1578 HB3 GLU A 110 220.152 -18.083 -22.744 1.00 10.38 H +ATOM 1579 HG2 GLU A 110 221.623 -19.464 -24.138 1.00 10.03 H +ATOM 1580 HG3 GLU A 110 223.032 -18.902 -23.243 1.00 9.86 H +ATOM 1581 N GLY A 111 219.749 -16.506 -25.438 1.00 10.23 N +ATOM 1582 CA GLY A 111 219.106 -16.813 -26.747 1.00 10.52 C +ATOM 1583 C GLY A 111 217.981 -15.811 -27.016 1.00 10.22 C +ATOM 1584 O GLY A 111 217.753 -14.896 -26.251 1.00 10.32 O +ATOM 1585 H GLY A 111 219.331 -15.871 -24.824 1.00 10.19 H +ATOM 1586 HA2 GLY A 111 219.847 -16.743 -27.534 1.00 10.91 H +ATOM 1587 HA3 GLY A 111 218.699 -17.815 -26.720 1.00 10.74 H +ATOM 1588 N ILE A 112 217.276 -15.977 -28.099 1.00 10.08 N +ATOM 1589 CA ILE A 112 216.163 -15.039 -28.422 1.00 10.05 C +ATOM 1590 C ILE A 112 214.934 -15.389 -27.573 1.00 9.95 C +ATOM 1591 O ILE A 112 214.213 -14.519 -27.129 1.00 10.04 O +ATOM 1592 CB ILE A 112 215.809 -15.134 -29.922 1.00 10.26 C +ATOM 1593 CG1 ILE A 112 215.858 -16.616 -30.389 1.00 10.38 C +ATOM 1594 CG2 ILE A 112 216.775 -14.268 -30.746 1.00 10.48 C +ATOM 1595 CD1 ILE A 112 217.265 -17.022 -30.865 1.00 10.70 C +ATOM 1596 H ILE A 112 217.473 -16.724 -28.699 1.00 10.16 H +ATOM 1597 HA ILE A 112 216.472 -14.030 -28.191 1.00 10.21 H +ATOM 1598 HB ILE A 112 214.808 -14.753 -30.068 1.00 10.47 H +ATOM 1599 HG12 ILE A 112 215.566 -17.260 -29.570 1.00 10.57 H +ATOM 1600 HG13 ILE A 112 215.162 -16.753 -31.207 1.00 10.32 H +ATOM 1601 HG21 ILE A 112 216.526 -13.226 -30.613 1.00 10.66 H +ATOM 1602 HG22 ILE A 112 216.688 -14.528 -31.790 1.00 10.59 H +ATOM 1603 HG23 ILE A 112 217.788 -14.442 -30.413 1.00 10.56 H +ATOM 1604 HD11 ILE A 112 218.017 -16.477 -30.317 1.00 11.05 H +ATOM 1605 HD12 ILE A 112 217.364 -16.802 -31.918 1.00 10.89 H +ATOM 1606 HD13 ILE A 112 217.406 -18.083 -30.710 1.00 10.61 H +ATOM 1607 N LEU A 113 214.689 -16.651 -27.353 1.00 9.98 N +ATOM 1608 CA LEU A 113 213.504 -17.053 -26.543 1.00 10.10 C +ATOM 1609 C LEU A 113 213.723 -16.642 -25.085 1.00 10.16 C +ATOM 1610 O LEU A 113 214.840 -16.456 -24.640 1.00 10.44 O +ATOM 1611 CB LEU A 113 213.314 -18.574 -26.607 1.00 10.47 C +ATOM 1612 CG LEU A 113 213.148 -19.027 -28.062 1.00 10.74 C +ATOM 1613 CD1 LEU A 113 213.002 -20.552 -28.093 1.00 10.93 C +ATOM 1614 CD2 LEU A 113 211.897 -18.373 -28.680 1.00 11.26 C +ATOM 1615 H LEU A 113 215.284 -17.338 -27.726 1.00 10.07 H +ATOM 1616 HA LEU A 113 212.624 -16.563 -26.923 1.00 10.12 H +ATOM 1617 HB2 LEU A 113 214.178 -19.063 -26.179 1.00 10.70 H +ATOM 1618 HB3 LEU A 113 212.437 -18.850 -26.045 1.00 10.56 H +ATOM 1619 HG LEU A 113 214.023 -18.740 -28.628 1.00 10.68 H +ATOM 1620 HD11 LEU A 113 212.724 -20.868 -29.088 1.00 11.01 H +ATOM 1621 HD12 LEU A 113 212.237 -20.854 -27.392 1.00 11.04 H +ATOM 1622 HD13 LEU A 113 213.941 -21.008 -27.818 1.00 11.09 H +ATOM 1623 HD21 LEU A 113 211.548 -18.968 -29.514 1.00 11.54 H +ATOM 1624 HD22 LEU A 113 212.146 -17.383 -29.032 1.00 11.47 H +ATOM 1625 HD23 LEU A 113 211.115 -18.305 -27.935 1.00 11.37 H +ATOM 1626 N GLU A 114 212.666 -16.497 -24.337 1.00 10.11 N +ATOM 1627 CA GLU A 114 212.809 -16.099 -22.908 1.00 10.38 C +ATOM 1628 C GLU A 114 213.757 -17.071 -22.194 1.00 9.94 C +ATOM 1629 O GLU A 114 214.069 -16.907 -21.031 1.00 10.16 O +ATOM 1630 CB GLU A 114 211.438 -16.134 -22.230 1.00 10.82 C +ATOM 1631 CG GLU A 114 210.553 -15.028 -22.812 1.00 11.27 C +ATOM 1632 CD GLU A 114 209.164 -15.090 -22.170 1.00 11.70 C +ATOM 1633 OE1 GLU A 114 209.080 -14.919 -20.965 1.00 11.75 O +ATOM 1634 OE2 GLU A 114 208.210 -15.310 -22.894 1.00 12.14 O +ATOM 1635 H GLU A 114 211.774 -16.652 -24.715 1.00 10.04 H +ATOM 1636 HA GLU A 114 213.207 -15.096 -22.850 1.00 10.78 H +ATOM 1637 HB2 GLU A 114 210.974 -17.093 -22.401 1.00 11.07 H +ATOM 1638 HB3 GLU A 114 211.559 -15.977 -21.169 1.00 10.82 H +ATOM 1639 HG2 GLU A 114 211.002 -14.064 -22.607 1.00 11.36 H +ATOM 1640 HG3 GLU A 114 210.463 -15.164 -23.878 1.00 11.43 H +ATOM 1641 N ASP A 115 214.206 -18.088 -22.880 1.00 9.54 N +ATOM 1642 CA ASP A 115 215.125 -19.076 -22.250 1.00 9.33 C +ATOM 1643 C ASP A 115 214.433 -19.734 -21.057 1.00 9.15 C +ATOM 1644 O ASP A 115 215.058 -20.054 -20.065 1.00 9.40 O +ATOM 1645 CB ASP A 115 216.404 -18.374 -21.782 1.00 9.74 C +ATOM 1646 CG ASP A 115 217.474 -19.422 -21.477 1.00 10.00 C +ATOM 1647 OD1 ASP A 115 217.776 -20.208 -22.362 1.00 10.21 O +ATOM 1648 OD2 ASP A 115 217.972 -19.423 -20.362 1.00 10.19 O +ATOM 1649 H ASP A 115 213.933 -18.205 -23.811 1.00 9.53 H +ATOM 1650 HA ASP A 115 215.380 -19.836 -22.973 1.00 9.28 H +ATOM 1651 HB2 ASP A 115 216.757 -17.713 -22.560 1.00 9.80 H +ATOM 1652 HB3 ASP A 115 216.203 -17.804 -20.890 1.00 10.04 H +ATOM 1653 N MET A 116 213.142 -19.944 -21.153 1.00 8.95 N +ATOM 1654 CA MET A 116 212.386 -20.594 -20.038 1.00 9.00 C +ATOM 1655 C MET A 116 211.477 -21.713 -20.586 1.00 8.93 C +ATOM 1656 O MET A 116 210.379 -21.906 -20.103 1.00 9.23 O +ATOM 1657 CB MET A 116 211.521 -19.534 -19.339 1.00 9.49 C +ATOM 1658 CG MET A 116 211.107 -20.025 -17.945 1.00 9.79 C +ATOM 1659 SD MET A 116 209.591 -19.176 -17.432 1.00 9.96 S +ATOM 1660 CE MET A 116 210.290 -17.512 -17.297 1.00 10.65 C +ATOM 1661 H MET A 116 212.668 -19.679 -21.967 1.00 8.94 H +ATOM 1662 HA MET A 116 213.073 -21.020 -19.321 1.00 9.00 H +ATOM 1663 HB2 MET A 116 212.085 -18.619 -19.244 1.00 9.64 H +ATOM 1664 HB3 MET A 116 210.636 -19.347 -19.927 1.00 9.73 H +ATOM 1665 HG2 MET A 116 210.927 -21.089 -17.970 1.00 9.93 H +ATOM 1666 HG3 MET A 116 211.895 -19.810 -17.237 1.00 10.02 H +ATOM 1667 HE1 MET A 116 210.526 -17.142 -18.284 1.00 10.82 H +ATOM 1668 HE2 MET A 116 211.190 -17.546 -16.704 1.00 10.91 H +ATOM 1669 HE3 MET A 116 209.573 -16.857 -16.822 1.00 10.87 H +ATOM 1670 N PRO A 117 211.925 -22.460 -21.573 1.00 8.74 N +ATOM 1671 CA PRO A 117 211.121 -23.582 -22.150 1.00 8.79 C +ATOM 1672 C PRO A 117 211.034 -24.756 -21.170 1.00 8.92 C +ATOM 1673 O PRO A 117 210.263 -25.675 -21.352 1.00 9.07 O +ATOM 1674 CB PRO A 117 211.910 -23.984 -23.406 1.00 8.81 C +ATOM 1675 CG PRO A 117 213.320 -23.610 -23.089 1.00 8.82 C +ATOM 1676 CD PRO A 117 213.231 -22.331 -22.255 1.00 8.70 C +ATOM 1677 HA PRO A 117 210.135 -23.245 -22.424 1.00 9.00 H +ATOM 1678 HB2 PRO A 117 211.824 -25.049 -23.591 1.00 8.85 H +ATOM 1679 HB3 PRO A 117 211.563 -23.426 -24.263 1.00 9.02 H +ATOM 1680 HG2 PRO A 117 213.795 -24.401 -22.515 1.00 8.86 H +ATOM 1681 HG3 PRO A 117 213.875 -23.421 -23.995 1.00 9.08 H +ATOM 1682 HD2 PRO A 117 214.043 -22.283 -21.537 1.00 8.72 H +ATOM 1683 HD3 PRO A 117 213.232 -21.467 -22.901 1.00 8.81 H +ATOM 1684 N VAL A 118 211.835 -24.727 -20.138 1.00 9.10 N +ATOM 1685 CA VAL A 118 211.826 -25.836 -19.146 1.00 9.48 C +ATOM 1686 C VAL A 118 210.409 -26.046 -18.610 1.00 9.26 C +ATOM 1687 O VAL A 118 209.719 -25.108 -18.259 1.00 9.38 O +ATOM 1688 CB VAL A 118 212.761 -25.483 -17.990 1.00 10.05 C +ATOM 1689 CG1 VAL A 118 212.196 -24.286 -17.220 1.00 10.23 C +ATOM 1690 CG2 VAL A 118 212.880 -26.682 -17.047 1.00 10.62 C +ATOM 1691 H VAL A 118 212.454 -23.975 -20.022 1.00 9.15 H +ATOM 1692 HA VAL A 118 212.173 -26.742 -19.621 1.00 9.74 H +ATOM 1693 HB VAL A 118 213.737 -25.230 -18.379 1.00 10.17 H +ATOM 1694 HG11 VAL A 118 211.879 -23.527 -17.919 1.00 10.23 H +ATOM 1695 HG12 VAL A 118 212.957 -23.883 -16.570 1.00 10.44 H +ATOM 1696 HG13 VAL A 118 211.351 -24.607 -16.629 1.00 10.38 H +ATOM 1697 HG21 VAL A 118 211.942 -26.826 -16.533 1.00 10.90 H +ATOM 1698 HG22 VAL A 118 213.662 -26.493 -16.325 1.00 10.73 H +ATOM 1699 HG23 VAL A 118 213.121 -27.568 -17.617 1.00 10.83 H +ATOM 1700 N ASP A 119 209.973 -27.277 -18.540 1.00 9.13 N +ATOM 1701 CA ASP A 119 208.599 -27.571 -18.026 1.00 9.08 C +ATOM 1702 C ASP A 119 208.695 -27.974 -16.540 1.00 8.95 C +ATOM 1703 O ASP A 119 209.448 -28.865 -16.200 1.00 9.03 O +ATOM 1704 CB ASP A 119 208.009 -28.737 -18.824 1.00 9.13 C +ATOM 1705 CG ASP A 119 208.118 -28.436 -20.320 1.00 9.37 C +ATOM 1706 OD1 ASP A 119 207.583 -27.424 -20.741 1.00 9.48 O +ATOM 1707 OD2 ASP A 119 208.735 -29.223 -21.020 1.00 9.67 O +ATOM 1708 H ASP A 119 210.554 -28.014 -18.824 1.00 9.18 H +ATOM 1709 HA ASP A 119 207.976 -26.701 -18.150 1.00 9.36 H +ATOM 1710 HB2 ASP A 119 208.557 -29.642 -18.596 1.00 9.10 H +ATOM 1711 HB3 ASP A 119 206.970 -28.869 -18.558 1.00 9.32 H +ATOM 1712 N PRO A 120 207.954 -27.342 -15.652 1.00 9.01 N +ATOM 1713 CA PRO A 120 208.007 -27.684 -14.200 1.00 9.18 C +ATOM 1714 C PRO A 120 207.283 -29.002 -13.892 1.00 9.06 C +ATOM 1715 O PRO A 120 207.390 -29.542 -12.810 1.00 9.22 O +ATOM 1716 CB PRO A 120 207.312 -26.496 -13.522 1.00 9.52 C +ATOM 1717 CG PRO A 120 206.353 -25.980 -14.544 1.00 9.55 C +ATOM 1718 CD PRO A 120 206.991 -26.254 -15.912 1.00 9.20 C +ATOM 1719 HA PRO A 120 209.033 -27.738 -13.869 1.00 9.39 H +ATOM 1720 HB2 PRO A 120 206.788 -26.817 -12.630 1.00 9.54 H +ATOM 1721 HB3 PRO A 120 208.036 -25.730 -13.277 1.00 9.90 H +ATOM 1722 HG2 PRO A 120 205.407 -26.505 -14.459 1.00 9.73 H +ATOM 1723 HG3 PRO A 120 206.199 -24.918 -14.418 1.00 9.84 H +ATOM 1724 HD2 PRO A 120 206.238 -26.573 -16.623 1.00 9.24 H +ATOM 1725 HD3 PRO A 120 207.512 -25.377 -16.273 1.00 9.28 H +ATOM 1726 N ASP A 121 206.543 -29.514 -14.833 1.00 8.99 N +ATOM 1727 CA ASP A 121 205.807 -30.786 -14.594 1.00 9.03 C +ATOM 1728 C ASP A 121 206.797 -31.927 -14.356 1.00 9.16 C +ATOM 1729 O ASP A 121 206.559 -32.803 -13.549 1.00 9.24 O +ATOM 1730 CB ASP A 121 204.940 -31.106 -15.813 1.00 9.32 C +ATOM 1731 CG ASP A 121 205.814 -31.154 -17.071 1.00 9.71 C +ATOM 1732 OD1 ASP A 121 206.981 -30.816 -16.974 1.00 10.10 O +ATOM 1733 OD2 ASP A 121 205.297 -31.522 -18.113 1.00 9.83 O +ATOM 1734 H ASP A 121 206.466 -29.058 -15.698 1.00 9.04 H +ATOM 1735 HA ASP A 121 205.175 -30.677 -13.725 1.00 9.01 H +ATOM 1736 HB2 ASP A 121 204.461 -32.067 -15.671 1.00 9.44 H +ATOM 1737 HB3 ASP A 121 204.186 -30.342 -15.931 1.00 9.41 H +ATOM 1738 N ASN A 122 207.903 -31.927 -15.046 1.00 9.45 N +ATOM 1739 CA ASN A 122 208.898 -33.018 -14.848 1.00 9.87 C +ATOM 1740 C ASN A 122 210.200 -32.673 -15.580 1.00 10.05 C +ATOM 1741 O ASN A 122 210.914 -33.542 -16.036 1.00 10.41 O +ATOM 1742 CB ASN A 122 208.333 -34.329 -15.401 1.00 10.31 C +ATOM 1743 CG ASN A 122 207.895 -34.124 -16.850 1.00 10.57 C +ATOM 1744 OD1 ASN A 122 207.381 -35.030 -17.477 1.00 10.54 O +ATOM 1745 ND2 ASN A 122 208.076 -32.962 -17.414 1.00 11.06 N +ATOM 1746 H ASN A 122 208.080 -31.211 -15.692 1.00 9.56 H +ATOM 1747 HA ASN A 122 209.101 -33.130 -13.794 1.00 10.02 H +ATOM 1748 HB2 ASN A 122 209.094 -35.094 -15.361 1.00 10.28 H +ATOM 1749 HB3 ASN A 122 207.485 -34.635 -14.810 1.00 10.72 H +ATOM 1750 HD21 ASN A 122 208.492 -32.233 -16.908 1.00 11.24 H +ATOM 1751 HD22 ASN A 122 207.796 -32.818 -18.341 1.00 11.38 H +ATOM 1752 N GLU A 123 210.509 -31.410 -15.694 1.00 10.03 N +ATOM 1753 CA GLU A 123 211.762 -30.999 -16.395 1.00 10.47 C +ATOM 1754 C GLU A 123 211.656 -31.340 -17.884 1.00 10.80 C +ATOM 1755 O GLU A 123 211.865 -30.502 -18.740 1.00 11.19 O +ATOM 1756 CB GLU A 123 212.967 -31.732 -15.772 1.00 10.42 C +ATOM 1757 CG GLU A 123 214.248 -30.919 -15.991 1.00 10.81 C +ATOM 1758 CD GLU A 123 214.545 -30.838 -17.488 1.00 11.11 C +ATOM 1759 OE1 GLU A 123 214.434 -31.856 -18.149 1.00 11.13 O +ATOM 1760 OE2 GLU A 123 214.881 -29.757 -17.948 1.00 11.51 O +ATOM 1761 H GLU A 123 209.914 -30.727 -15.318 1.00 9.88 H +ATOM 1762 HA GLU A 123 211.892 -29.931 -16.286 1.00 10.85 H +ATOM 1763 HB2 GLU A 123 212.799 -31.856 -14.711 1.00 10.21 H +ATOM 1764 HB3 GLU A 123 213.082 -32.704 -16.230 1.00 10.53 H +ATOM 1765 HG2 GLU A 123 214.118 -29.920 -15.593 1.00 10.92 H +ATOM 1766 HG3 GLU A 123 215.073 -31.404 -15.491 1.00 10.98 H +ATOM 1767 N ALA A 124 211.332 -32.565 -18.201 1.00 10.87 N +ATOM 1768 CA ALA A 124 211.208 -32.963 -19.633 1.00 11.45 C +ATOM 1769 C ALA A 124 210.294 -34.185 -19.737 1.00 11.44 C +ATOM 1770 O ALA A 124 209.293 -34.278 -19.057 1.00 11.63 O +ATOM 1771 CB ALA A 124 212.592 -33.305 -20.194 1.00 11.92 C +ATOM 1772 H ALA A 124 211.169 -33.225 -17.496 1.00 10.70 H +ATOM 1773 HA ALA A 124 210.780 -32.147 -20.199 1.00 11.76 H +ATOM 1774 HB1 ALA A 124 212.502 -33.561 -21.241 1.00 12.17 H +ATOM 1775 HB2 ALA A 124 213.006 -34.144 -19.649 1.00 12.11 H +ATOM 1776 HB3 ALA A 124 213.244 -32.451 -20.089 1.00 11.99 H +ATOM 1777 N TYR A 125 210.625 -35.126 -20.578 1.00 11.45 N +ATOM 1778 CA TYR A 125 209.764 -36.334 -20.708 1.00 11.70 C +ATOM 1779 C TYR A 125 209.556 -36.947 -19.324 1.00 11.82 C +ATOM 1780 O TYR A 125 208.490 -36.856 -18.750 1.00 11.87 O +ATOM 1781 CB TYR A 125 210.456 -37.354 -21.616 1.00 12.08 C +ATOM 1782 CG TYR A 125 210.617 -36.770 -22.999 1.00 11.99 C +ATOM 1783 CD1 TYR A 125 211.704 -35.934 -23.285 1.00 12.11 C +ATOM 1784 CD2 TYR A 125 209.681 -37.068 -23.998 1.00 12.02 C +ATOM 1785 CE1 TYR A 125 211.853 -35.395 -24.567 1.00 12.26 C +ATOM 1786 CE2 TYR A 125 209.832 -36.529 -25.282 1.00 12.16 C +ATOM 1787 CZ TYR A 125 210.917 -35.693 -25.567 1.00 12.28 C +ATOM 1788 OH TYR A 125 211.065 -35.162 -26.832 1.00 12.63 O +ATOM 1789 H TYR A 125 211.438 -35.040 -21.120 1.00 11.44 H +ATOM 1790 HA TYR A 125 208.810 -36.057 -21.131 1.00 11.74 H +ATOM 1791 HB2 TYR A 125 211.428 -37.595 -21.209 1.00 12.29 H +ATOM 1792 HB3 TYR A 125 209.858 -38.250 -21.670 1.00 12.42 H +ATOM 1793 HD1 TYR A 125 212.426 -35.699 -22.516 1.00 12.26 H +ATOM 1794 HD2 TYR A 125 208.843 -37.716 -23.776 1.00 12.10 H +ATOM 1795 HE1 TYR A 125 212.691 -34.751 -24.786 1.00 12.52 H +ATOM 1796 HE2 TYR A 125 209.113 -36.757 -26.053 1.00 12.34 H +ATOM 1797 HH TYR A 125 211.980 -34.887 -26.935 1.00 12.87 H +ATOM 1798 N GLU A 126 210.573 -37.561 -18.778 1.00 12.06 N +ATOM 1799 CA GLU A 126 210.447 -38.174 -17.420 1.00 12.38 C +ATOM 1800 C GLU A 126 211.813 -38.164 -16.735 1.00 12.74 C +ATOM 1801 O GLU A 126 212.571 -39.109 -16.834 1.00 12.99 O +ATOM 1802 CB GLU A 126 209.962 -39.626 -17.529 1.00 12.49 C +ATOM 1803 CG GLU A 126 208.506 -39.667 -17.996 1.00 12.83 C +ATOM 1804 CD GLU A 126 208.040 -41.120 -18.069 1.00 13.31 C +ATOM 1805 OE1 GLU A 126 208.830 -41.992 -17.743 1.00 13.68 O +ATOM 1806 OE2 GLU A 126 206.900 -41.335 -18.449 1.00 13.46 O +ATOM 1807 H GLU A 126 211.428 -37.610 -19.257 1.00 12.16 H +ATOM 1808 HA GLU A 126 209.748 -37.603 -16.826 1.00 12.50 H +ATOM 1809 HB2 GLU A 126 210.583 -40.155 -18.238 1.00 12.39 H +ATOM 1810 HB3 GLU A 126 210.040 -40.100 -16.563 1.00 12.63 H +ATOM 1811 HG2 GLU A 126 207.888 -39.122 -17.298 1.00 12.89 H +ATOM 1812 HG3 GLU A 126 208.426 -39.221 -18.973 1.00 12.87 H +ATOM 1813 N MET A 127 212.140 -37.111 -16.031 1.00 12.95 N +ATOM 1814 CA MET A 127 213.462 -37.068 -15.339 1.00 13.47 C +ATOM 1815 C MET A 127 214.554 -37.380 -16.385 1.00 13.66 C +ATOM 1816 O MET A 127 214.261 -37.444 -17.565 1.00 13.92 O +ATOM 1817 CB MET A 127 213.455 -38.108 -14.189 1.00 13.87 C +ATOM 1818 CG MET A 127 212.016 -38.368 -13.711 1.00 14.26 C +ATOM 1819 SD MET A 127 212.047 -38.942 -11.993 1.00 14.67 S +ATOM 1820 CE MET A 127 211.834 -37.329 -11.203 1.00 15.18 C +ATOM 1821 H MET A 127 211.522 -36.357 -15.953 1.00 12.87 H +ATOM 1822 HA MET A 127 213.623 -36.078 -14.935 1.00 13.60 H +ATOM 1823 HB2 MET A 127 213.887 -39.037 -14.532 1.00 13.94 H +ATOM 1824 HB3 MET A 127 214.027 -37.727 -13.355 1.00 13.98 H +ATOM 1825 HG2 MET A 127 211.441 -37.453 -13.769 1.00 14.44 H +ATOM 1826 HG3 MET A 127 211.558 -39.126 -14.334 1.00 14.30 H +ATOM 1827 HE1 MET A 127 212.509 -36.615 -11.655 1.00 15.30 H +ATOM 1828 HE2 MET A 127 212.051 -37.411 -10.151 1.00 15.24 H +ATOM 1829 HE3 MET A 127 210.812 -36.997 -11.332 1.00 15.46 H +ATOM 1830 N PRO A 128 215.795 -37.574 -15.991 1.00 13.68 N +ATOM 1831 CA PRO A 128 216.889 -37.878 -16.964 1.00 14.01 C +ATOM 1832 C PRO A 128 216.546 -39.075 -17.859 1.00 14.23 C +ATOM 1833 O PRO A 128 215.658 -39.847 -17.562 1.00 14.60 O +ATOM 1834 CB PRO A 128 218.109 -38.164 -16.075 1.00 14.09 C +ATOM 1835 CG PRO A 128 217.820 -37.447 -14.796 1.00 13.89 C +ATOM 1836 CD PRO A 128 216.307 -37.529 -14.608 1.00 13.58 C +ATOM 1837 HA PRO A 128 217.085 -37.012 -17.576 1.00 14.21 H +ATOM 1838 HB2 PRO A 128 218.208 -39.229 -15.897 1.00 14.21 H +ATOM 1839 HB3 PRO A 128 219.010 -37.773 -16.526 1.00 14.30 H +ATOM 1840 HG2 PRO A 128 218.334 -37.928 -13.974 1.00 14.07 H +ATOM 1841 HG3 PRO A 128 218.122 -36.413 -14.873 1.00 13.97 H +ATOM 1842 HD2 PRO A 128 216.054 -38.430 -14.071 1.00 13.56 H +ATOM 1843 HD3 PRO A 128 215.938 -36.654 -14.097 1.00 13.50 H +ATOM 1844 N SER A 129 217.220 -39.212 -18.966 1.00 14.15 N +ATOM 1845 CA SER A 129 216.913 -40.337 -19.897 1.00 14.52 C +ATOM 1846 C SER A 129 217.059 -41.683 -19.182 1.00 14.61 C +ATOM 1847 O SER A 129 216.243 -42.564 -19.353 1.00 14.73 O +ATOM 1848 CB SER A 129 217.881 -40.291 -21.078 1.00 14.64 C +ATOM 1849 OG SER A 129 219.215 -40.393 -20.598 1.00 14.80 O +ATOM 1850 H SER A 129 217.916 -38.564 -19.199 1.00 13.95 H +ATOM 1851 HA SER A 129 215.903 -40.236 -20.262 1.00 14.81 H +ATOM 1852 HB2 SER A 129 217.680 -41.113 -21.744 1.00 14.87 H +ATOM 1853 HB3 SER A 129 217.751 -39.358 -21.610 1.00 14.55 H +ATOM 1854 HG SER A 129 219.400 -41.321 -20.427 1.00 14.78 H +ATOM 1855 N GLU A 130 218.090 -41.845 -18.384 1.00 14.69 N +ATOM 1856 CA GLU A 130 218.311 -43.138 -17.652 1.00 14.92 C +ATOM 1857 C GLU A 130 217.871 -44.329 -18.514 1.00 15.03 C +ATOM 1858 O GLU A 130 217.932 -44.283 -19.727 1.00 15.30 O +ATOM 1859 CB GLU A 130 217.541 -43.142 -16.319 1.00 14.96 C +ATOM 1860 CG GLU A 130 216.025 -43.059 -16.552 1.00 15.13 C +ATOM 1861 CD GLU A 130 215.299 -43.191 -15.210 1.00 15.41 C +ATOM 1862 OE1 GLU A 130 215.958 -43.482 -14.227 1.00 15.64 O +ATOM 1863 OE2 GLU A 130 214.095 -42.997 -15.190 1.00 15.53 O +ATOM 1864 H GLU A 130 218.730 -41.113 -18.271 1.00 14.69 H +ATOM 1865 HA GLU A 130 219.366 -43.237 -17.443 1.00 15.15 H +ATOM 1866 HB2 GLU A 130 217.765 -44.049 -15.782 1.00 15.09 H +ATOM 1867 HB3 GLU A 130 217.854 -42.293 -15.727 1.00 14.91 H +ATOM 1868 HG2 GLU A 130 215.781 -42.108 -16.994 1.00 15.05 H +ATOM 1869 HG3 GLU A 130 215.710 -43.851 -17.205 1.00 15.31 H +ATOM 1870 N GLU A 131 217.419 -45.395 -17.896 1.00 14.94 N +ATOM 1871 CA GLU A 131 216.959 -46.593 -18.673 1.00 15.19 C +ATOM 1872 C GLU A 131 215.631 -47.085 -18.097 1.00 14.97 C +ATOM 1873 O GLU A 131 215.425 -48.267 -17.903 1.00 14.83 O +ATOM 1874 CB GLU A 131 218.007 -47.703 -18.565 1.00 15.40 C +ATOM 1875 CG GLU A 131 219.275 -47.283 -19.309 1.00 15.63 C +ATOM 1876 CD GLU A 131 220.349 -48.358 -19.132 1.00 15.84 C +ATOM 1877 OE1 GLU A 131 220.071 -49.342 -18.464 1.00 16.06 O +ATOM 1878 OE2 GLU A 131 221.430 -48.180 -19.667 1.00 15.91 O +ATOM 1879 H GLU A 131 217.372 -45.406 -16.917 1.00 14.80 H +ATOM 1880 HA GLU A 131 216.819 -46.330 -19.712 1.00 15.53 H +ATOM 1881 HB2 GLU A 131 218.242 -47.877 -17.526 1.00 15.57 H +ATOM 1882 HB3 GLU A 131 217.619 -48.608 -19.003 1.00 15.39 H +ATOM 1883 HG2 GLU A 131 219.052 -47.163 -20.359 1.00 15.73 H +ATOM 1884 HG3 GLU A 131 219.636 -46.348 -18.909 1.00 15.70 H +ATOM 1885 N GLY A 132 214.731 -46.185 -17.818 1.00 15.06 N +ATOM 1886 CA GLY A 132 213.413 -46.594 -17.249 1.00 14.96 C +ATOM 1887 C GLY A 132 213.602 -47.009 -15.788 1.00 14.88 C +ATOM 1888 O GLY A 132 212.973 -46.476 -14.899 1.00 14.98 O +ATOM 1889 H GLY A 132 214.924 -45.240 -17.981 1.00 15.29 H +ATOM 1890 HA2 GLY A 132 212.720 -45.763 -17.303 1.00 14.94 H +ATOM 1891 HA3 GLY A 132 213.019 -47.428 -17.810 1.00 15.09 H +ATOM 1892 N TYR A 133 214.469 -47.955 -15.542 1.00 14.85 N +ATOM 1893 CA TYR A 133 214.710 -48.416 -14.142 1.00 14.90 C +ATOM 1894 C TYR A 133 213.380 -48.884 -13.526 1.00 14.86 C +ATOM 1895 O TYR A 133 213.111 -50.066 -13.446 1.00 15.29 O +ATOM 1896 CB TYR A 133 215.297 -47.256 -13.320 1.00 15.17 C +ATOM 1897 CG TYR A 133 216.028 -47.799 -12.107 1.00 15.60 C +ATOM 1898 CD1 TYR A 133 215.308 -48.241 -10.993 1.00 15.66 C +ATOM 1899 CD2 TYR A 133 217.428 -47.862 -12.104 1.00 16.11 C +ATOM 1900 CE1 TYR A 133 215.985 -48.743 -9.875 1.00 16.20 C +ATOM 1901 CE2 TYR A 133 218.107 -48.364 -10.987 1.00 16.64 C +ATOM 1902 CZ TYR A 133 217.384 -48.804 -9.873 1.00 16.68 C +ATOM 1903 OH TYR A 133 218.051 -49.302 -8.770 1.00 17.32 O +ATOM 1904 H TYR A 133 214.964 -48.368 -16.285 1.00 14.88 H +ATOM 1905 HA TYR A 133 215.409 -49.241 -14.156 1.00 14.95 H +ATOM 1906 HB2 TYR A 133 215.991 -46.702 -13.938 1.00 15.47 H +ATOM 1907 HB3 TYR A 133 214.504 -46.599 -12.998 1.00 14.91 H +ATOM 1908 HD1 TYR A 133 214.230 -48.193 -10.996 1.00 15.38 H +ATOM 1909 HD2 TYR A 133 217.984 -47.521 -12.965 1.00 16.21 H +ATOM 1910 HE1 TYR A 133 215.429 -49.083 -9.014 1.00 16.36 H +ATOM 1911 HE2 TYR A 133 219.187 -48.410 -10.985 1.00 17.12 H +ATOM 1912 HH TYR A 133 217.950 -50.259 -8.770 1.00 17.39 H +ATOM 1913 N GLN A 134 212.542 -47.973 -13.107 1.00 14.50 N +ATOM 1914 CA GLN A 134 211.229 -48.375 -12.520 1.00 14.59 C +ATOM 1915 C GLN A 134 210.224 -47.228 -12.684 1.00 14.69 C +ATOM 1916 O GLN A 134 210.475 -46.105 -12.292 1.00 14.94 O +ATOM 1917 CB GLN A 134 211.400 -48.720 -11.036 1.00 14.70 C +ATOM 1918 CG GLN A 134 211.647 -47.443 -10.221 1.00 15.01 C +ATOM 1919 CD GLN A 134 212.188 -47.818 -8.838 1.00 15.33 C +ATOM 1920 OE1 GLN A 134 213.224 -47.335 -8.426 1.00 15.39 O +ATOM 1921 NE2 GLN A 134 211.525 -48.667 -8.099 1.00 15.71 N +ATOM 1922 H GLN A 134 212.770 -47.025 -13.189 1.00 14.26 H +ATOM 1923 HA GLN A 134 210.858 -49.244 -13.044 1.00 14.70 H +ATOM 1924 HB2 GLN A 134 210.502 -49.204 -10.679 1.00 14.59 H +ATOM 1925 HB3 GLN A 134 212.236 -49.391 -10.917 1.00 14.84 H +ATOM 1926 HG2 GLN A 134 212.364 -46.818 -10.733 1.00 15.03 H +ATOM 1927 HG3 GLN A 134 210.716 -46.905 -10.103 1.00 15.17 H +ATOM 1928 HE21 GLN A 134 210.691 -49.056 -8.430 1.00 15.77 H +ATOM 1929 HE22 GLN A 134 211.862 -48.917 -7.216 1.00 16.02 H +ATOM 1930 N ASP A 135 209.093 -47.510 -13.259 1.00 14.65 N +ATOM 1931 CA ASP A 135 208.060 -46.452 -13.454 1.00 14.91 C +ATOM 1932 C ASP A 135 206.722 -47.122 -13.753 1.00 14.69 C +ATOM 1933 O ASP A 135 205.672 -46.522 -13.635 1.00 14.51 O +ATOM 1934 CB ASP A 135 208.456 -45.553 -14.628 1.00 15.30 C +ATOM 1935 CG ASP A 135 207.475 -44.384 -14.728 1.00 15.81 C +ATOM 1936 OD1 ASP A 135 207.278 -43.713 -13.726 1.00 16.16 O +ATOM 1937 OD2 ASP A 135 206.936 -44.180 -15.804 1.00 15.98 O +ATOM 1938 H ASP A 135 208.918 -48.426 -13.565 1.00 14.56 H +ATOM 1939 HA ASP A 135 207.973 -45.859 -12.555 1.00 15.17 H +ATOM 1940 HB2 ASP A 135 209.455 -45.172 -14.470 1.00 15.37 H +ATOM 1941 HB3 ASP A 135 208.428 -46.124 -15.544 1.00 15.29 H +ATOM 1942 N TYR A 136 206.763 -48.370 -14.140 1.00 14.86 N +ATOM 1943 CA TYR A 136 205.514 -49.124 -14.459 1.00 14.86 C +ATOM 1944 C TYR A 136 205.556 -50.487 -13.759 1.00 14.76 C +ATOM 1945 O TYR A 136 206.481 -51.258 -13.919 1.00 14.90 O +ATOM 1946 CB TYR A 136 205.419 -49.308 -15.980 1.00 15.22 C +ATOM 1947 CG TYR A 136 206.802 -49.525 -16.555 1.00 15.55 C +ATOM 1948 CD1 TYR A 136 207.349 -50.810 -16.607 1.00 15.96 C +ATOM 1949 CD2 TYR A 136 207.534 -48.433 -17.037 1.00 15.64 C +ATOM 1950 CE1 TYR A 136 208.630 -51.007 -17.143 1.00 16.44 C +ATOM 1951 CE2 TYR A 136 208.814 -48.627 -17.571 1.00 16.13 C +ATOM 1952 CZ TYR A 136 209.363 -49.915 -17.624 1.00 16.52 C +ATOM 1953 OH TYR A 136 210.622 -50.108 -18.153 1.00 17.15 O +ATOM 1954 H TYR A 136 207.630 -48.820 -14.222 1.00 15.12 H +ATOM 1955 HA TYR A 136 204.649 -48.575 -14.110 1.00 14.84 H +ATOM 1956 HB2 TYR A 136 204.795 -50.163 -16.207 1.00 15.33 H +ATOM 1957 HB3 TYR A 136 204.984 -48.427 -16.420 1.00 15.28 H +ATOM 1958 HD1 TYR A 136 206.788 -51.648 -16.235 1.00 16.02 H +ATOM 1959 HD2 TYR A 136 207.110 -47.441 -16.997 1.00 15.45 H +ATOM 1960 HE1 TYR A 136 209.053 -52.001 -17.186 1.00 16.86 H +ATOM 1961 HE2 TYR A 136 209.380 -47.785 -17.942 1.00 16.32 H +ATOM 1962 HH TYR A 136 211.173 -50.500 -17.472 1.00 17.22 H +ATOM 1963 N GLU A 137 204.560 -50.776 -12.966 1.00 14.68 N +ATOM 1964 CA GLU A 137 204.521 -52.071 -12.226 1.00 14.75 C +ATOM 1965 C GLU A 137 204.582 -53.261 -13.210 1.00 14.91 C +ATOM 1966 O GLU A 137 205.514 -54.042 -13.173 1.00 15.12 O +ATOM 1967 CB GLU A 137 203.222 -52.128 -11.381 1.00 14.78 C +ATOM 1968 CG GLU A 137 203.508 -51.721 -9.927 1.00 14.97 C +ATOM 1969 CD GLU A 137 204.174 -52.885 -9.188 1.00 15.36 C +ATOM 1970 OE1 GLU A 137 204.883 -53.642 -9.828 1.00 15.79 O +ATOM 1971 OE2 GLU A 137 203.961 -53.000 -7.992 1.00 15.36 O +ATOM 1972 H GLU A 137 203.834 -50.130 -12.844 1.00 14.68 H +ATOM 1973 HA GLU A 137 205.380 -52.124 -11.571 1.00 14.84 H +ATOM 1974 HB2 GLU A 137 202.499 -51.445 -11.798 1.00 14.79 H +ATOM 1975 HB3 GLU A 137 202.814 -53.131 -11.397 1.00 14.83 H +ATOM 1976 HG2 GLU A 137 204.166 -50.863 -9.917 1.00 14.82 H +ATOM 1977 HG3 GLU A 137 202.579 -51.470 -9.438 1.00 15.16 H +ATOM 1978 N PRO A 138 203.603 -53.410 -14.073 1.00 14.99 N +ATOM 1979 CA PRO A 138 203.568 -54.538 -15.057 1.00 15.34 C +ATOM 1980 C PRO A 138 204.796 -54.541 -15.973 1.00 15.66 C +ATOM 1981 O PRO A 138 205.557 -53.600 -16.003 1.00 16.07 O +ATOM 1982 CB PRO A 138 202.271 -54.297 -15.861 1.00 15.48 C +ATOM 1983 CG PRO A 138 201.937 -52.860 -15.630 1.00 15.37 C +ATOM 1984 CD PRO A 138 202.422 -52.541 -14.220 1.00 14.97 C +ATOM 1985 HA PRO A 138 203.502 -55.477 -14.535 1.00 15.44 H +ATOM 1986 HB2 PRO A 138 202.431 -54.487 -16.918 1.00 15.71 H +ATOM 1987 HB3 PRO A 138 201.476 -54.927 -15.488 1.00 15.59 H +ATOM 1988 HG2 PRO A 138 202.453 -52.239 -16.352 1.00 15.58 H +ATOM 1989 HG3 PRO A 138 200.873 -52.702 -15.695 1.00 15.53 H +ATOM 1990 HD2 PRO A 138 202.684 -51.498 -14.141 1.00 15.00 H +ATOM 1991 HD3 PRO A 138 201.672 -52.804 -13.491 1.00 14.81 H +ATOM 1992 N GLU A 139 204.999 -55.601 -16.702 1.00 15.61 N +ATOM 1993 CA GLU A 139 206.187 -55.672 -17.600 1.00 16.09 C +ATOM 1994 C GLU A 139 206.185 -54.473 -18.554 1.00 16.38 C +ATOM 1995 O GLU A 139 207.221 -54.039 -19.019 1.00 16.44 O +ATOM 1996 CB GLU A 139 206.135 -56.966 -18.418 1.00 16.07 C +ATOM 1997 CG GLU A 139 206.291 -58.180 -17.491 1.00 16.39 C +ATOM 1998 CD GLU A 139 204.947 -58.517 -16.837 1.00 16.51 C +ATOM 1999 OE1 GLU A 139 204.004 -57.770 -17.045 1.00 16.68 O +ATOM 2000 OE2 GLU A 139 204.889 -59.511 -16.134 1.00 16.57 O +ATOM 2001 H GLU A 139 204.376 -56.357 -16.653 1.00 15.37 H +ATOM 2002 HA GLU A 139 207.088 -55.654 -17.007 1.00 16.41 H +ATOM 2003 HB2 GLU A 139 205.190 -57.022 -18.938 1.00 16.05 H +ATOM 2004 HB3 GLU A 139 206.940 -56.965 -19.139 1.00 16.00 H +ATOM 2005 HG2 GLU A 139 206.628 -59.026 -18.071 1.00 16.56 H +ATOM 2006 HG3 GLU A 139 207.020 -57.962 -16.722 1.00 16.52 H +ATOM 2007 N ALA A 140 205.034 -53.935 -18.851 1.00 16.70 N +ATOM 2008 CA ALA A 140 204.971 -52.762 -19.777 1.00 17.17 C +ATOM 2009 C ALA A 140 203.730 -51.927 -19.454 1.00 17.37 C +ATOM 2010 O ALA A 140 202.844 -52.453 -18.799 1.00 17.40 O +ATOM 2011 CB ALA A 140 204.885 -53.253 -21.221 1.00 17.38 C +ATOM 2012 OXT ALA A 140 203.683 -50.781 -19.870 1.00 17.61 O +ATOM 2013 H ALA A 140 204.211 -54.299 -18.466 1.00 16.73 H +ATOM 2014 HA ALA A 140 205.856 -52.152 -19.656 1.00 17.38 H +ATOM 2015 HB1 ALA A 140 205.662 -53.979 -21.401 1.00 17.32 H +ATOM 2016 HB2 ALA A 140 205.012 -52.418 -21.895 1.00 17.57 H +ATOM 2017 HB3 ALA A 140 203.919 -53.708 -21.388 1.00 17.54 H +TER 2018 ALA A 140 +END diff --git a/bench/main_benchmark/structures/SFB_ID_ASYN_1XQ8A_1XQ8A/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_ASYN_1XQ8A_1XQ8A/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..820e94afd7e567d4b553d19bee080f219ce45a4f --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_ASYN_1XQ8A_1XQ8A/state_b.pdb @@ -0,0 +1,2019 @@ +ATOM 1 N MET A 1 250.965 35.980 1.756 1.00 3.51 N +ATOM 2 CA MET A 1 250.631 34.877 0.809 1.00 2.95 C +ATOM 3 C MET A 1 249.137 34.933 0.477 1.00 1.98 C +ATOM 4 O MET A 1 248.722 34.621 -0.622 1.00 2.25 O +ATOM 5 CB MET A 1 250.966 33.522 1.452 1.00 3.46 C +ATOM 6 CG MET A 1 252.471 33.254 1.353 1.00 4.04 C +ATOM 7 SD MET A 1 253.361 34.426 2.407 1.00 4.85 S +ATOM 8 CE MET A 1 254.923 34.409 1.490 1.00 5.59 C +ATOM 9 H1 MET A 1 251.445 35.587 2.589 1.00 3.73 H +ATOM 10 H2 MET A 1 250.089 36.458 2.050 1.00 3.86 H +ATOM 11 H3 MET A 1 251.593 36.664 1.288 1.00 3.91 H +ATOM 12 HA MET A 1 251.201 35.001 -0.100 1.00 3.41 H +ATOM 13 HB2 MET A 1 250.671 33.533 2.488 1.00 3.61 H +ATOM 14 HB3 MET A 1 250.432 32.738 0.937 1.00 3.81 H +ATOM 15 HG2 MET A 1 252.679 32.245 1.681 1.00 4.25 H +ATOM 16 HG3 MET A 1 252.793 33.372 0.327 1.00 4.29 H +ATOM 17 HE1 MET A 1 255.062 33.437 1.041 1.00 5.95 H +ATOM 18 HE2 MET A 1 255.741 34.609 2.164 1.00 5.89 H +ATOM 19 HE3 MET A 1 254.898 35.169 0.719 1.00 5.77 H +ATOM 20 N ASP A 2 248.321 35.325 1.418 1.00 1.45 N +ATOM 21 CA ASP A 2 246.860 35.394 1.143 1.00 0.95 C +ATOM 22 C ASP A 2 246.615 36.397 0.013 1.00 0.90 C +ATOM 23 O ASP A 2 246.715 37.594 0.194 1.00 0.86 O +ATOM 24 CB ASP A 2 246.122 35.851 2.403 1.00 1.58 C +ATOM 25 CG ASP A 2 246.270 34.789 3.492 1.00 2.20 C +ATOM 26 OD1 ASP A 2 247.395 34.465 3.827 1.00 2.76 O +ATOM 27 OD2 ASP A 2 245.256 34.323 3.978 1.00 2.76 O +ATOM 28 H ASP A 2 248.670 35.570 2.300 1.00 1.98 H +ATOM 29 HA ASP A 2 246.503 34.419 0.846 1.00 1.27 H +ATOM 30 HB2 ASP A 2 246.543 36.782 2.749 1.00 2.05 H +ATOM 31 HB3 ASP A 2 245.078 35.990 2.177 1.00 2.06 H +ATOM 32 N VAL A 3 246.315 35.909 -1.159 1.00 0.95 N +ATOM 33 CA VAL A 3 246.085 36.822 -2.313 1.00 0.96 C +ATOM 34 C VAL A 3 245.072 37.899 -1.920 1.00 0.91 C +ATOM 35 O VAL A 3 244.919 38.896 -2.594 1.00 0.91 O +ATOM 36 CB VAL A 3 245.544 36.021 -3.498 1.00 1.07 C +ATOM 37 CG1 VAL A 3 245.317 36.957 -4.685 1.00 1.14 C +ATOM 38 CG2 VAL A 3 246.556 34.939 -3.886 1.00 1.36 C +ATOM 39 H VAL A 3 246.266 34.938 -1.285 1.00 1.01 H +ATOM 40 HA VAL A 3 247.018 37.291 -2.592 1.00 0.95 H +ATOM 41 HB VAL A 3 244.609 35.558 -3.222 1.00 1.33 H +ATOM 42 HG11 VAL A 3 246.184 37.586 -4.819 1.00 1.52 H +ATOM 43 HG12 VAL A 3 244.451 37.573 -4.497 1.00 1.71 H +ATOM 44 HG13 VAL A 3 245.156 36.373 -5.578 1.00 1.47 H +ATOM 45 HG21 VAL A 3 246.306 34.545 -4.859 1.00 1.90 H +ATOM 46 HG22 VAL A 3 246.525 34.143 -3.158 1.00 1.65 H +ATOM 47 HG23 VAL A 3 247.546 35.365 -3.912 1.00 1.70 H +ATOM 48 N PHE A 4 244.376 37.704 -0.834 1.00 0.91 N +ATOM 49 CA PHE A 4 243.374 38.718 -0.399 1.00 0.91 C +ATOM 50 C PHE A 4 244.096 39.896 0.259 1.00 0.84 C +ATOM 51 O PHE A 4 243.835 41.043 -0.045 1.00 0.85 O +ATOM 52 CB PHE A 4 242.409 38.085 0.605 1.00 0.95 C +ATOM 53 CG PHE A 4 241.536 37.072 -0.102 1.00 1.29 C +ATOM 54 CD1 PHE A 4 240.340 37.483 -0.703 1.00 2.00 C +ATOM 55 CD2 PHE A 4 241.923 35.727 -0.159 1.00 2.02 C +ATOM 56 CE1 PHE A 4 239.528 36.550 -1.361 1.00 2.63 C +ATOM 57 CE2 PHE A 4 241.114 34.796 -0.817 1.00 2.68 C +ATOM 58 CZ PHE A 4 239.915 35.205 -1.418 1.00 2.77 C +ATOM 59 H PHE A 4 244.511 36.891 -0.304 1.00 0.92 H +ATOM 60 HA PHE A 4 242.822 39.069 -1.258 1.00 0.95 H +ATOM 61 HB2 PHE A 4 242.971 37.593 1.383 1.00 1.20 H +ATOM 62 HB3 PHE A 4 241.787 38.852 1.038 1.00 1.22 H +ATOM 63 HD1 PHE A 4 240.043 38.520 -0.658 1.00 2.52 H +ATOM 64 HD2 PHE A 4 242.845 35.408 0.302 1.00 2.53 H +ATOM 65 HE1 PHE A 4 238.605 36.869 -1.827 1.00 3.38 H +ATOM 66 HE2 PHE A 4 241.412 33.762 -0.860 1.00 3.46 H +ATOM 67 HZ PHE A 4 239.291 34.483 -1.924 1.00 3.41 H +ATOM 68 N MET A 5 245.006 39.623 1.154 1.00 0.81 N +ATOM 69 CA MET A 5 245.745 40.728 1.827 1.00 0.78 C +ATOM 70 C MET A 5 246.319 41.670 0.766 1.00 0.75 C +ATOM 71 O MET A 5 246.161 42.874 0.839 1.00 0.74 O +ATOM 72 CB MET A 5 246.887 40.143 2.665 1.00 0.79 C +ATOM 73 CG MET A 5 246.334 39.584 3.979 1.00 0.86 C +ATOM 74 SD MET A 5 245.789 40.953 5.032 1.00 1.56 S +ATOM 75 CE MET A 5 244.855 39.976 6.239 1.00 1.89 C +ATOM 76 H MET A 5 245.204 38.690 1.382 1.00 0.82 H +ATOM 77 HA MET A 5 245.069 41.276 2.467 1.00 0.80 H +ATOM 78 HB2 MET A 5 247.373 39.347 2.110 1.00 0.82 H +ATOM 79 HB3 MET A 5 247.609 40.912 2.884 1.00 0.77 H +ATOM 80 HG2 MET A 5 245.498 38.933 3.774 1.00 1.20 H +ATOM 81 HG3 MET A 5 247.106 39.027 4.484 1.00 1.32 H +ATOM 82 HE1 MET A 5 243.807 39.991 5.976 1.00 2.18 H +ATOM 83 HE2 MET A 5 244.981 40.399 7.223 1.00 2.49 H +ATOM 84 HE3 MET A 5 245.216 38.956 6.238 1.00 2.24 H +ATOM 85 N LYS A 6 246.987 41.132 -0.217 1.00 0.76 N +ATOM 86 CA LYS A 6 247.572 41.993 -1.282 1.00 0.77 C +ATOM 87 C LYS A 6 246.484 42.898 -1.862 1.00 0.78 C +ATOM 88 O LYS A 6 246.600 44.108 -1.859 1.00 0.78 O +ATOM 89 CB LYS A 6 248.148 41.110 -2.391 1.00 0.82 C +ATOM 90 CG LYS A 6 249.479 40.506 -1.936 1.00 1.38 C +ATOM 91 CD LYS A 6 250.038 39.620 -3.052 1.00 1.77 C +ATOM 92 CE LYS A 6 251.429 39.117 -2.662 1.00 2.48 C +ATOM 93 NZ LYS A 6 252.413 40.228 -2.808 1.00 2.74 N +ATOM 94 H LYS A 6 247.104 40.159 -0.254 1.00 0.78 H +ATOM 95 HA LYS A 6 248.359 42.602 -0.861 1.00 0.76 H +ATOM 96 HB2 LYS A 6 247.452 40.315 -2.614 1.00 1.09 H +ATOM 97 HB3 LYS A 6 248.314 41.706 -3.278 1.00 1.21 H +ATOM 98 HG2 LYS A 6 250.182 41.300 -1.718 1.00 1.93 H +ATOM 99 HG3 LYS A 6 249.322 39.909 -1.052 1.00 1.95 H +ATOM 100 HD2 LYS A 6 249.379 38.779 -3.205 1.00 2.14 H +ATOM 101 HD3 LYS A 6 250.107 40.192 -3.965 1.00 2.15 H +ATOM 102 HE2 LYS A 6 251.416 38.780 -1.637 1.00 3.06 H +ATOM 103 HE3 LYS A 6 251.711 38.298 -3.305 1.00 2.98 H +ATOM 104 HZ1 LYS A 6 251.912 41.104 -3.056 1.00 2.91 H +ATOM 105 HZ2 LYS A 6 253.093 39.991 -3.560 1.00 3.19 H +ATOM 106 HZ3 LYS A 6 252.919 40.363 -1.911 1.00 3.05 H +ATOM 107 N GLY A 7 245.425 42.323 -2.363 1.00 0.81 N +ATOM 108 CA GLY A 7 244.331 43.152 -2.944 1.00 0.85 C +ATOM 109 C GLY A 7 243.885 44.199 -1.922 1.00 0.83 C +ATOM 110 O GLY A 7 243.463 45.283 -2.274 1.00 0.86 O +ATOM 111 H GLY A 7 245.350 41.345 -2.358 1.00 0.82 H +ATOM 112 HA2 GLY A 7 244.690 43.645 -3.835 1.00 0.87 H +ATOM 113 HA3 GLY A 7 243.491 42.516 -3.193 1.00 0.89 H +ATOM 114 N LEU A 8 243.972 43.885 -0.659 1.00 0.81 N +ATOM 115 CA LEU A 8 243.551 44.864 0.384 1.00 0.81 C +ATOM 116 C LEU A 8 244.608 45.965 0.507 1.00 0.77 C +ATOM 117 O LEU A 8 244.303 47.140 0.455 1.00 0.77 O +ATOM 118 CB LEU A 8 243.400 44.140 1.731 1.00 0.81 C +ATOM 119 CG LEU A 8 242.543 44.985 2.700 1.00 1.35 C +ATOM 120 CD1 LEU A 8 241.053 44.699 2.476 1.00 2.04 C +ATOM 121 CD2 LEU A 8 242.900 44.634 4.149 1.00 1.96 C +ATOM 122 H LEU A 8 244.314 43.005 -0.395 1.00 0.79 H +ATOM 123 HA LEU A 8 242.609 45.304 0.101 1.00 0.85 H +ATOM 124 HB2 LEU A 8 242.927 43.185 1.569 1.00 1.15 H +ATOM 125 HB3 LEU A 8 244.383 43.986 2.160 1.00 1.07 H +ATOM 126 HG LEU A 8 242.731 46.035 2.528 1.00 2.07 H +ATOM 127 HD11 LEU A 8 240.843 43.666 2.723 1.00 2.45 H +ATOM 128 HD12 LEU A 8 240.795 44.879 1.444 1.00 2.57 H +ATOM 129 HD13 LEU A 8 240.465 45.346 3.109 1.00 2.49 H +ATOM 130 HD21 LEU A 8 242.752 43.578 4.310 1.00 2.49 H +ATOM 131 HD22 LEU A 8 242.266 45.194 4.822 1.00 2.29 H +ATOM 132 HD23 LEU A 8 243.934 44.885 4.335 1.00 2.47 H +ATOM 133 N SER A 9 245.849 45.594 0.671 1.00 0.74 N +ATOM 134 CA SER A 9 246.922 46.620 0.797 1.00 0.71 C +ATOM 135 C SER A 9 247.017 47.422 -0.502 1.00 0.73 C +ATOM 136 O SER A 9 247.512 48.529 -0.524 1.00 0.71 O +ATOM 137 CB SER A 9 248.259 45.928 1.067 1.00 0.71 C +ATOM 138 OG SER A 9 249.322 46.817 0.737 1.00 1.48 O +ATOM 139 H SER A 9 246.074 44.641 0.711 1.00 0.74 H +ATOM 140 HA SER A 9 246.689 47.286 1.615 1.00 0.70 H +ATOM 141 HB2 SER A 9 248.328 45.669 2.111 1.00 1.32 H +ATOM 142 HB3 SER A 9 248.325 45.026 0.468 1.00 1.17 H +ATOM 143 HG SER A 9 249.194 47.626 1.231 1.00 1.90 H +ATOM 144 N LYS A 10 246.549 46.869 -1.587 1.00 0.77 N +ATOM 145 CA LYS A 10 246.614 47.601 -2.883 1.00 0.80 C +ATOM 146 C LYS A 10 245.547 48.697 -2.903 1.00 0.80 C +ATOM 147 O LYS A 10 245.779 49.794 -3.372 1.00 0.80 O +ATOM 148 CB LYS A 10 246.366 46.624 -4.034 1.00 0.86 C +ATOM 149 CG LYS A 10 246.575 47.342 -5.366 1.00 1.36 C +ATOM 150 CD LYS A 10 246.404 46.350 -6.517 1.00 1.79 C +ATOM 151 CE LYS A 10 246.628 47.068 -7.851 1.00 2.29 C +ATOM 152 NZ LYS A 10 248.089 47.270 -8.068 1.00 3.12 N +ATOM 153 H LYS A 10 246.155 45.972 -1.550 1.00 0.78 H +ATOM 154 HA LYS A 10 247.591 48.048 -2.994 1.00 0.79 H +ATOM 155 HB2 LYS A 10 247.054 45.794 -3.959 1.00 1.03 H +ATOM 156 HB3 LYS A 10 245.355 46.256 -3.981 1.00 1.31 H +ATOM 157 HG2 LYS A 10 245.850 48.139 -5.465 1.00 1.86 H +ATOM 158 HG3 LYS A 10 247.569 47.756 -5.397 1.00 1.91 H +ATOM 159 HD2 LYS A 10 247.122 45.554 -6.413 1.00 2.25 H +ATOM 160 HD3 LYS A 10 245.408 45.938 -6.495 1.00 2.07 H +ATOM 161 HE2 LYS A 10 246.225 46.465 -8.654 1.00 2.53 H +ATOM 162 HE3 LYS A 10 246.129 48.028 -7.837 1.00 2.57 H +ATOM 163 HZ1 LYS A 10 248.577 47.304 -7.148 1.00 3.39 H +ATOM 164 HZ2 LYS A 10 248.242 48.168 -8.576 1.00 3.59 H +ATOM 165 HZ3 LYS A 10 248.467 46.480 -8.632 1.00 3.54 H +ATOM 166 N ALA A 11 244.380 48.413 -2.394 1.00 0.82 N +ATOM 167 CA ALA A 11 243.302 49.441 -2.385 1.00 0.84 C +ATOM 168 C ALA A 11 243.698 50.587 -1.451 1.00 0.79 C +ATOM 169 O ALA A 11 243.573 51.746 -1.786 1.00 0.80 O +ATOM 170 CB ALA A 11 241.997 48.810 -1.893 1.00 0.87 C +ATOM 171 H ALA A 11 244.213 47.524 -2.017 1.00 0.82 H +ATOM 172 HA ALA A 11 243.162 49.824 -3.385 1.00 0.87 H +ATOM 173 HB1 ALA A 11 242.095 48.550 -0.851 1.00 1.31 H +ATOM 174 HB2 ALA A 11 241.790 47.917 -2.468 1.00 1.35 H +ATOM 175 HB3 ALA A 11 241.187 49.513 -2.014 1.00 1.33 H +ATOM 176 N LYS A 12 244.174 50.270 -0.277 1.00 0.74 N +ATOM 177 CA LYS A 12 244.578 51.340 0.678 1.00 0.70 C +ATOM 178 C LYS A 12 245.586 52.274 0.002 1.00 0.69 C +ATOM 179 O LYS A 12 245.625 53.461 0.273 1.00 0.68 O +ATOM 180 CB LYS A 12 245.218 50.703 1.914 1.00 0.67 C +ATOM 181 CG LYS A 12 245.457 51.782 2.979 1.00 1.28 C +ATOM 182 CD LYS A 12 246.043 51.153 4.252 1.00 1.86 C +ATOM 183 CE LYS A 12 244.946 50.436 5.054 1.00 2.50 C +ATOM 184 NZ LYS A 12 245.469 50.110 6.408 1.00 3.02 N +ATOM 185 H LYS A 12 244.266 49.328 -0.024 1.00 0.74 H +ATOM 186 HA LYS A 12 243.707 51.906 0.974 1.00 0.72 H +ATOM 187 HB2 LYS A 12 244.557 49.945 2.302 1.00 1.07 H +ATOM 188 HB3 LYS A 12 246.159 50.255 1.642 1.00 1.07 H +ATOM 189 HG2 LYS A 12 246.152 52.514 2.591 1.00 1.99 H +ATOM 190 HG3 LYS A 12 244.525 52.269 3.212 1.00 1.72 H +ATOM 191 HD2 LYS A 12 246.808 50.442 3.981 1.00 2.25 H +ATOM 192 HD3 LYS A 12 246.479 51.927 4.864 1.00 2.36 H +ATOM 193 HE2 LYS A 12 244.083 51.077 5.147 1.00 2.81 H +ATOM 194 HE3 LYS A 12 244.664 49.523 4.554 1.00 2.96 H +ATOM 195 HZ1 LYS A 12 246.382 50.585 6.550 1.00 3.28 H +ATOM 196 HZ2 LYS A 12 245.598 49.079 6.492 1.00 3.55 H +ATOM 197 HZ3 LYS A 12 244.794 50.437 7.129 1.00 3.19 H +ATOM 198 N GLU A 13 246.397 51.753 -0.878 1.00 0.69 N +ATOM 199 CA GLU A 13 247.398 52.614 -1.570 1.00 0.70 C +ATOM 200 C GLU A 13 246.672 53.631 -2.452 1.00 0.73 C +ATOM 201 O GLU A 13 247.123 54.740 -2.638 1.00 0.72 O +ATOM 202 CB GLU A 13 248.308 51.743 -2.439 1.00 0.72 C +ATOM 203 CG GLU A 13 249.388 52.614 -3.081 1.00 1.32 C +ATOM 204 CD GLU A 13 250.336 51.735 -3.896 1.00 1.84 C +ATOM 205 OE1 GLU A 13 250.293 50.531 -3.717 1.00 2.34 O +ATOM 206 OE2 GLU A 13 251.086 52.280 -4.688 1.00 2.49 O +ATOM 207 H GLU A 13 246.347 50.796 -1.084 1.00 0.71 H +ATOM 208 HA GLU A 13 247.994 53.135 -0.835 1.00 0.67 H +ATOM 209 HB2 GLU A 13 248.772 50.983 -1.826 1.00 1.06 H +ATOM 210 HB3 GLU A 13 247.720 51.270 -3.212 1.00 1.11 H +ATOM 211 HG2 GLU A 13 248.924 53.343 -3.730 1.00 1.90 H +ATOM 212 HG3 GLU A 13 249.945 53.123 -2.312 1.00 1.89 H +ATOM 213 N GLY A 14 245.547 53.258 -3.000 1.00 0.77 N +ATOM 214 CA GLY A 14 244.792 54.203 -3.870 1.00 0.81 C +ATOM 215 C GLY A 14 244.016 55.192 -2.998 1.00 0.80 C +ATOM 216 O GLY A 14 243.986 56.374 -3.264 1.00 0.80 O +ATOM 217 H GLY A 14 245.200 52.356 -2.839 1.00 0.77 H +ATOM 218 HA2 GLY A 14 245.485 54.744 -4.502 1.00 0.82 H +ATOM 219 HA3 GLY A 14 244.099 53.654 -4.484 1.00 0.85 H +ATOM 220 N VAL A 15 243.389 54.714 -1.958 1.00 0.78 N +ATOM 221 CA VAL A 15 242.617 55.628 -1.069 1.00 0.79 C +ATOM 222 C VAL A 15 243.547 56.715 -0.526 1.00 0.74 C +ATOM 223 O VAL A 15 243.170 57.863 -0.404 1.00 0.74 O +ATOM 224 CB VAL A 15 242.030 54.830 0.096 1.00 0.81 C +ATOM 225 CG1 VAL A 15 241.289 55.779 1.044 1.00 1.48 C +ATOM 226 CG2 VAL A 15 241.054 53.784 -0.446 1.00 1.40 C +ATOM 227 H VAL A 15 243.427 53.755 -1.761 1.00 0.78 H +ATOM 228 HA VAL A 15 241.817 56.086 -1.632 1.00 0.82 H +ATOM 229 HB VAL A 15 242.829 54.338 0.631 1.00 1.39 H +ATOM 230 HG11 VAL A 15 242.006 56.382 1.581 1.00 2.09 H +ATOM 231 HG12 VAL A 15 240.707 55.203 1.748 1.00 1.99 H +ATOM 232 HG13 VAL A 15 240.634 56.419 0.474 1.00 1.94 H +ATOM 233 HG21 VAL A 15 240.186 54.281 -0.854 1.00 1.93 H +ATOM 234 HG22 VAL A 15 240.751 53.127 0.355 1.00 1.90 H +ATOM 235 HG23 VAL A 15 241.537 53.208 -1.221 1.00 1.97 H +ATOM 236 N VAL A 16 244.761 56.363 -0.203 1.00 0.70 N +ATOM 237 CA VAL A 16 245.714 57.376 0.331 1.00 0.66 C +ATOM 238 C VAL A 16 246.142 58.314 -0.799 1.00 0.66 C +ATOM 239 O VAL A 16 246.127 59.522 -0.656 1.00 0.66 O +ATOM 240 CB VAL A 16 246.944 56.669 0.900 1.00 0.63 C +ATOM 241 CG1 VAL A 16 248.003 57.701 1.291 1.00 1.09 C +ATOM 242 CG2 VAL A 16 246.543 55.869 2.138 1.00 1.12 C +ATOM 243 H VAL A 16 245.046 55.431 -0.311 1.00 0.70 H +ATOM 244 HA VAL A 16 245.233 57.947 1.111 1.00 0.66 H +ATOM 245 HB VAL A 16 247.351 56.000 0.154 1.00 0.96 H +ATOM 246 HG11 VAL A 16 247.538 58.499 1.850 1.00 1.47 H +ATOM 247 HG12 VAL A 16 248.459 58.105 0.398 1.00 1.60 H +ATOM 248 HG13 VAL A 16 248.760 57.229 1.901 1.00 1.66 H +ATOM 249 HG21 VAL A 16 247.395 55.315 2.503 1.00 1.68 H +ATOM 250 HG22 VAL A 16 245.753 55.178 1.883 1.00 1.54 H +ATOM 251 HG23 VAL A 16 246.198 56.544 2.910 1.00 1.67 H +ATOM 252 N ALA A 17 246.516 57.770 -1.924 1.00 0.69 N +ATOM 253 CA ALA A 17 246.942 58.632 -3.062 1.00 0.71 C +ATOM 254 C ALA A 17 245.806 59.588 -3.428 1.00 0.74 C +ATOM 255 O ALA A 17 246.026 60.742 -3.730 1.00 0.74 O +ATOM 256 CB ALA A 17 247.279 57.753 -4.269 1.00 0.75 C +ATOM 257 H ALA A 17 246.515 56.795 -2.021 1.00 0.70 H +ATOM 258 HA ALA A 17 247.814 59.201 -2.776 1.00 0.69 H +ATOM 259 HB1 ALA A 17 248.206 57.226 -4.086 1.00 1.31 H +ATOM 260 HB2 ALA A 17 247.383 58.374 -5.148 1.00 1.22 H +ATOM 261 HB3 ALA A 17 246.484 57.039 -4.427 1.00 1.26 H +ATOM 262 N ALA A 18 244.590 59.115 -3.404 1.00 0.77 N +ATOM 263 CA ALA A 18 243.440 59.997 -3.748 1.00 0.81 C +ATOM 264 C ALA A 18 243.275 61.062 -2.662 1.00 0.79 C +ATOM 265 O ALA A 18 242.883 62.181 -2.931 1.00 0.81 O +ATOM 266 CB ALA A 18 242.163 59.160 -3.839 1.00 0.86 C +ATOM 267 H ALA A 18 244.433 58.179 -3.157 1.00 0.78 H +ATOM 268 HA ALA A 18 243.626 60.477 -4.698 1.00 0.84 H +ATOM 269 HB1 ALA A 18 241.918 58.771 -2.862 1.00 1.35 H +ATOM 270 HB2 ALA A 18 242.317 58.339 -4.524 1.00 1.22 H +ATOM 271 HB3 ALA A 18 241.353 59.778 -4.195 1.00 1.39 H +ATOM 272 N ALA A 19 243.568 60.723 -1.436 1.00 0.75 N +ATOM 273 CA ALA A 19 243.428 61.716 -0.334 1.00 0.73 C +ATOM 274 C ALA A 19 244.385 62.885 -0.576 1.00 0.71 C +ATOM 275 O ALA A 19 243.985 64.031 -0.608 1.00 0.72 O +ATOM 276 CB ALA A 19 243.765 61.048 1.000 1.00 0.70 C +ATOM 277 H ALA A 19 243.880 59.815 -1.241 1.00 0.74 H +ATOM 278 HA ALA A 19 242.412 62.083 -0.307 1.00 0.76 H +ATOM 279 HB1 ALA A 19 243.779 61.792 1.782 1.00 1.14 H +ATOM 280 HB2 ALA A 19 244.734 60.579 0.931 1.00 1.24 H +ATOM 281 HB3 ALA A 19 243.020 60.300 1.227 1.00 1.30 H +ATOM 282 N GLU A 20 245.648 62.604 -0.748 1.00 0.69 N +ATOM 283 CA GLU A 20 246.629 63.699 -0.987 1.00 0.68 C +ATOM 284 C GLU A 20 246.130 64.590 -2.126 1.00 0.71 C +ATOM 285 O GLU A 20 246.217 65.799 -2.067 1.00 0.69 O +ATOM 286 CB GLU A 20 247.984 63.097 -1.368 1.00 0.70 C +ATOM 287 CG GLU A 20 248.569 62.357 -0.163 1.00 0.69 C +ATOM 288 CD GLU A 20 249.879 61.680 -0.571 1.00 1.40 C +ATOM 289 OE1 GLU A 20 250.268 61.834 -1.720 1.00 2.07 O +ATOM 290 OE2 GLU A 20 250.469 61.017 0.269 1.00 2.14 O +ATOM 291 H GLU A 20 245.951 61.672 -0.720 1.00 0.69 H +ATOM 292 HA GLU A 20 246.737 64.289 -0.089 1.00 0.66 H +ATOM 293 HB2 GLU A 20 247.853 62.405 -2.187 1.00 0.73 H +ATOM 294 HB3 GLU A 20 248.659 63.886 -1.666 1.00 0.71 H +ATOM 295 HG2 GLU A 20 248.759 63.060 0.635 1.00 1.13 H +ATOM 296 HG3 GLU A 20 247.868 61.609 0.175 1.00 1.12 H +ATOM 297 N LYS A 21 245.605 64.000 -3.165 1.00 0.78 N +ATOM 298 CA LYS A 21 245.101 64.811 -4.308 1.00 0.82 C +ATOM 299 C LYS A 21 243.825 65.546 -3.890 1.00 0.82 C +ATOM 300 O LYS A 21 243.731 66.754 -3.986 1.00 0.83 O +ATOM 301 CB LYS A 21 244.794 63.890 -5.490 1.00 0.90 C +ATOM 302 CG LYS A 21 244.708 64.710 -6.782 1.00 1.54 C +ATOM 303 CD LYS A 21 244.539 63.764 -7.970 1.00 1.81 C +ATOM 304 CE LYS A 21 244.476 64.575 -9.265 1.00 2.16 C +ATOM 305 NZ LYS A 21 244.345 63.646 -10.425 1.00 2.60 N +ATOM 306 H LYS A 21 245.544 63.022 -3.194 1.00 0.80 H +ATOM 307 HA LYS A 21 245.852 65.530 -4.598 1.00 0.81 H +ATOM 308 HB2 LYS A 21 245.582 63.157 -5.584 1.00 1.10 H +ATOM 309 HB3 LYS A 21 243.853 63.386 -5.324 1.00 1.41 H +ATOM 310 HG2 LYS A 21 243.861 65.377 -6.730 1.00 2.25 H +ATOM 311 HG3 LYS A 21 245.614 65.285 -6.907 1.00 1.91 H +ATOM 312 HD2 LYS A 21 245.377 63.084 -8.011 1.00 2.10 H +ATOM 313 HD3 LYS A 21 243.626 63.201 -7.856 1.00 2.39 H +ATOM 314 HE2 LYS A 21 243.624 65.236 -9.234 1.00 2.62 H +ATOM 315 HE3 LYS A 21 245.380 65.158 -9.368 1.00 2.60 H +ATOM 316 HZ1 LYS A 21 243.347 63.378 -10.543 1.00 3.06 H +ATOM 317 HZ2 LYS A 21 244.918 62.795 -10.252 1.00 2.89 H +ATOM 318 HZ3 LYS A 21 244.680 64.116 -11.287 1.00 2.93 H +ATOM 319 N THR A 22 242.837 64.828 -3.432 1.00 0.83 N +ATOM 320 CA THR A 22 241.570 65.488 -3.011 1.00 0.86 C +ATOM 321 C THR A 22 241.875 66.541 -1.943 1.00 0.82 C +ATOM 322 O THR A 22 241.228 67.564 -1.863 1.00 0.85 O +ATOM 323 CB THR A 22 240.614 64.439 -2.437 1.00 0.88 C +ATOM 324 OG1 THR A 22 240.545 63.332 -3.321 1.00 1.55 O +ATOM 325 CG2 THR A 22 239.221 65.053 -2.265 1.00 1.10 C +ATOM 326 H THR A 22 242.928 63.854 -3.366 1.00 0.83 H +ATOM 327 HA THR A 22 241.111 65.964 -3.865 1.00 0.90 H +ATOM 328 HB THR A 22 240.976 64.113 -1.477 1.00 1.36 H +ATOM 329 HG1 THR A 22 239.647 63.270 -3.654 1.00 1.97 H +ATOM 330 HG21 THR A 22 239.254 65.799 -1.485 1.00 1.64 H +ATOM 331 HG22 THR A 22 238.519 64.277 -1.994 1.00 1.70 H +ATOM 332 HG23 THR A 22 238.913 65.509 -3.195 1.00 1.59 H +ATOM 333 N LYS A 23 242.859 66.298 -1.121 1.00 0.77 N +ATOM 334 CA LYS A 23 243.207 67.286 -0.061 1.00 0.76 C +ATOM 335 C LYS A 23 243.887 68.498 -0.700 1.00 0.75 C +ATOM 336 O LYS A 23 243.809 69.603 -0.198 1.00 0.76 O +ATOM 337 CB LYS A 23 244.159 66.638 0.946 1.00 0.75 C +ATOM 338 CG LYS A 23 244.407 67.612 2.099 1.00 1.25 C +ATOM 339 CD LYS A 23 245.316 66.958 3.140 1.00 1.63 C +ATOM 340 CE LYS A 23 245.546 67.933 4.298 1.00 2.38 C +ATOM 341 NZ LYS A 23 246.414 67.292 5.324 1.00 2.87 N +ATOM 342 H LYS A 23 243.370 65.466 -1.202 1.00 0.75 H +ATOM 343 HA LYS A 23 242.307 67.603 0.446 1.00 0.78 H +ATOM 344 HB2 LYS A 23 243.717 65.730 1.327 1.00 1.15 H +ATOM 345 HB3 LYS A 23 245.098 66.410 0.461 1.00 1.16 H +ATOM 346 HG2 LYS A 23 244.882 68.505 1.717 1.00 1.93 H +ATOM 347 HG3 LYS A 23 243.465 67.872 2.561 1.00 1.83 H +ATOM 348 HD2 LYS A 23 244.847 66.058 3.513 1.00 2.05 H +ATOM 349 HD3 LYS A 23 246.263 66.711 2.687 1.00 2.06 H +ATOM 350 HE2 LYS A 23 246.027 68.827 3.928 1.00 2.79 H +ATOM 351 HE3 LYS A 23 244.596 68.193 4.741 1.00 2.92 H +ATOM 352 HZ1 LYS A 23 247.411 67.515 5.125 1.00 3.02 H +ATOM 353 HZ2 LYS A 23 246.276 66.261 5.300 1.00 3.31 H +ATOM 354 HZ3 LYS A 23 246.163 67.655 6.264 1.00 3.27 H +ATOM 355 N GLN A 24 244.560 68.299 -1.801 1.00 0.75 N +ATOM 356 CA GLN A 24 245.247 69.438 -2.475 1.00 0.77 C +ATOM 357 C GLN A 24 244.241 70.199 -3.342 1.00 0.78 C +ATOM 358 O GLN A 24 244.418 71.364 -3.636 1.00 0.78 O +ATOM 359 CB GLN A 24 246.374 68.900 -3.359 1.00 0.81 C +ATOM 360 CG GLN A 24 247.169 70.069 -3.937 1.00 1.22 C +ATOM 361 CD GLN A 24 248.358 69.537 -4.735 1.00 1.62 C +ATOM 362 OE1 GLN A 24 248.727 68.385 -4.605 1.00 1.90 O +ATOM 363 NE2 GLN A 24 248.986 70.338 -5.554 1.00 2.51 N +ATOM 364 H GLN A 24 244.613 67.400 -2.186 1.00 0.76 H +ATOM 365 HA GLN A 24 245.659 70.104 -1.731 1.00 0.76 H +ATOM 366 HB2 GLN A 24 247.029 68.276 -2.767 1.00 1.23 H +ATOM 367 HB3 GLN A 24 245.954 68.320 -4.165 1.00 1.44 H +ATOM 368 HG2 GLN A 24 246.534 70.653 -4.585 1.00 1.91 H +ATOM 369 HG3 GLN A 24 247.531 70.687 -3.134 1.00 1.81 H +ATOM 370 HE21 GLN A 24 248.693 71.268 -5.648 1.00 2.95 H +ATOM 371 HE22 GLN A 24 249.748 70.009 -6.075 1.00 3.00 H +ATOM 372 N GLY A 25 243.188 69.548 -3.755 1.00 0.81 N +ATOM 373 CA GLY A 25 242.173 70.234 -4.603 1.00 0.85 C +ATOM 374 C GLY A 25 241.392 71.239 -3.754 1.00 0.85 C +ATOM 375 O GLY A 25 241.241 72.391 -4.118 1.00 0.87 O +ATOM 376 H GLY A 25 243.066 68.608 -3.509 1.00 0.82 H +ATOM 377 HA2 GLY A 25 242.667 70.754 -5.408 1.00 0.87 H +ATOM 378 HA3 GLY A 25 241.488 69.504 -5.008 1.00 0.89 H +ATOM 379 N VAL A 26 240.898 70.816 -2.623 1.00 0.83 N +ATOM 380 CA VAL A 26 240.129 71.749 -1.752 1.00 0.85 C +ATOM 381 C VAL A 26 241.026 72.919 -1.343 1.00 0.81 C +ATOM 382 O VAL A 26 240.572 74.034 -1.178 1.00 0.83 O +ATOM 383 CB VAL A 26 239.659 71.005 -0.500 1.00 0.87 C +ATOM 384 CG1 VAL A 26 238.609 69.962 -0.892 1.00 0.92 C +ATOM 385 CG2 VAL A 26 240.849 70.303 0.152 1.00 0.82 C +ATOM 386 H VAL A 26 241.033 69.886 -2.346 1.00 0.82 H +ATOM 387 HA VAL A 26 239.272 72.123 -2.292 1.00 0.89 H +ATOM 388 HB VAL A 26 239.226 71.709 0.196 1.00 0.89 H +ATOM 389 HG11 VAL A 26 237.804 70.446 -1.424 1.00 1.45 H +ATOM 390 HG12 VAL A 26 238.221 69.492 -0.003 1.00 1.35 H +ATOM 391 HG13 VAL A 26 239.061 69.215 -1.527 1.00 1.24 H +ATOM 392 HG21 VAL A 26 241.289 69.610 -0.549 1.00 1.39 H +ATOM 393 HG22 VAL A 26 240.512 69.762 1.026 1.00 1.24 H +ATOM 394 HG23 VAL A 26 241.586 71.035 0.446 1.00 1.22 H +ATOM 395 N ALA A 27 242.297 72.673 -1.178 1.00 0.77 N +ATOM 396 CA ALA A 27 243.222 73.771 -0.780 1.00 0.76 C +ATOM 397 C ALA A 27 243.146 74.901 -1.808 1.00 0.76 C +ATOM 398 O ALA A 27 242.914 76.043 -1.470 1.00 0.76 O +ATOM 399 CB ALA A 27 244.653 73.233 -0.719 1.00 0.75 C +ATOM 400 H ALA A 27 242.642 71.767 -1.315 1.00 0.77 H +ATOM 401 HA ALA A 27 242.938 74.148 0.192 1.00 0.77 H +ATOM 402 HB1 ALA A 27 244.843 72.620 -1.585 1.00 1.10 H +ATOM 403 HB2 ALA A 27 244.777 72.644 0.176 1.00 1.10 H +ATOM 404 HB3 ALA A 27 245.350 74.057 -0.703 1.00 1.26 H +ATOM 405 N GLU A 28 243.341 74.590 -3.061 1.00 0.78 N +ATOM 406 CA GLU A 28 243.279 75.647 -4.109 1.00 0.80 C +ATOM 407 C GLU A 28 241.845 76.168 -4.223 1.00 0.82 C +ATOM 408 O GLU A 28 241.615 77.344 -4.436 1.00 0.83 O +ATOM 409 CB GLU A 28 243.717 75.060 -5.452 1.00 0.86 C +ATOM 410 CG GLU A 28 245.205 74.707 -5.400 1.00 0.96 C +ATOM 411 CD GLU A 28 245.618 74.036 -6.709 1.00 1.48 C +ATOM 412 OE1 GLU A 28 244.769 73.906 -7.577 1.00 2.12 O +ATOM 413 OE2 GLU A 28 246.772 73.666 -6.823 1.00 2.23 O +ATOM 414 H GLU A 28 243.528 73.662 -3.312 1.00 0.79 H +ATOM 415 HA GLU A 28 243.937 76.460 -3.840 1.00 0.79 H +ATOM 416 HB2 GLU A 28 243.144 74.168 -5.659 1.00 0.87 H +ATOM 417 HB3 GLU A 28 243.550 75.787 -6.232 1.00 0.87 H +ATOM 418 HG2 GLU A 28 245.781 75.609 -5.260 1.00 1.37 H +ATOM 419 HG3 GLU A 28 245.384 74.034 -4.578 1.00 1.57 H +ATOM 420 N ALA A 29 240.877 75.304 -4.085 1.00 0.84 N +ATOM 421 CA ALA A 29 239.459 75.752 -4.185 1.00 0.90 C +ATOM 422 C ALA A 29 239.180 76.805 -3.112 1.00 0.89 C +ATOM 423 O ALA A 29 238.546 77.810 -3.364 1.00 0.92 O +ATOM 424 CB ALA A 29 238.530 74.554 -3.978 1.00 0.96 C +ATOM 425 H ALA A 29 241.082 74.361 -3.914 1.00 0.84 H +ATOM 426 HA ALA A 29 239.284 76.178 -5.162 1.00 0.92 H +ATOM 427 HB1 ALA A 29 238.883 73.720 -4.566 1.00 1.34 H +ATOM 428 HB2 ALA A 29 237.530 74.815 -4.290 1.00 1.56 H +ATOM 429 HB3 ALA A 29 238.522 74.281 -2.934 1.00 1.28 H +ATOM 430 N ALA A 30 239.649 76.584 -1.915 1.00 0.88 N +ATOM 431 CA ALA A 30 239.411 77.574 -0.827 1.00 0.92 C +ATOM 432 C ALA A 30 239.882 78.956 -1.284 1.00 0.91 C +ATOM 433 O ALA A 30 239.115 79.898 -1.334 1.00 0.95 O +ATOM 434 CB ALA A 30 240.192 77.157 0.422 1.00 0.95 C +ATOM 435 H ALA A 30 240.159 75.768 -1.731 1.00 0.87 H +ATOM 436 HA ALA A 30 238.356 77.610 -0.597 1.00 0.96 H +ATOM 437 HB1 ALA A 30 241.230 77.007 0.162 1.00 1.41 H +ATOM 438 HB2 ALA A 30 239.780 76.240 0.812 1.00 1.36 H +ATOM 439 HB3 ALA A 30 240.116 77.933 1.172 1.00 1.41 H +ATOM 440 N GLY A 31 241.138 79.086 -1.612 1.00 0.88 N +ATOM 441 CA GLY A 31 241.659 80.407 -2.064 1.00 0.91 C +ATOM 442 C GLY A 31 240.901 80.860 -3.313 1.00 0.90 C +ATOM 443 O GLY A 31 240.775 82.037 -3.580 1.00 0.94 O +ATOM 444 H GLY A 31 241.740 78.314 -1.559 1.00 0.86 H +ATOM 445 HA2 GLY A 31 241.523 81.135 -1.276 1.00 0.94 H +ATOM 446 HA3 GLY A 31 242.707 80.320 -2.297 1.00 0.94 H +ATOM 447 N LYS A 32 240.398 79.935 -4.084 1.00 0.89 N +ATOM 448 CA LYS A 32 239.650 80.320 -5.314 1.00 0.92 C +ATOM 449 C LYS A 32 238.311 80.947 -4.916 1.00 0.94 C +ATOM 450 O LYS A 32 237.913 81.970 -5.437 1.00 0.96 O +ATOM 451 CB LYS A 32 239.409 79.073 -6.178 1.00 0.95 C +ATOM 452 CG LYS A 32 239.072 79.498 -7.611 1.00 1.41 C +ATOM 453 CD LYS A 32 238.972 78.259 -8.502 1.00 1.79 C +ATOM 454 CE LYS A 32 238.767 78.690 -9.957 1.00 2.48 C +ATOM 455 NZ LYS A 32 237.481 79.433 -10.082 1.00 3.13 N +ATOM 456 H LYS A 32 240.512 78.989 -3.855 1.00 0.89 H +ATOM 457 HA LYS A 32 240.231 81.040 -5.872 1.00 0.95 H +ATOM 458 HB2 LYS A 32 240.298 78.461 -6.185 1.00 1.18 H +ATOM 459 HB3 LYS A 32 238.589 78.505 -5.772 1.00 1.37 H +ATOM 460 HG2 LYS A 32 238.129 80.025 -7.616 1.00 2.02 H +ATOM 461 HG3 LYS A 32 239.849 80.144 -7.987 1.00 1.87 H +ATOM 462 HD2 LYS A 32 239.885 77.685 -8.422 1.00 2.12 H +ATOM 463 HD3 LYS A 32 238.134 77.654 -8.185 1.00 2.22 H +ATOM 464 HE2 LYS A 32 239.583 79.327 -10.262 1.00 2.80 H +ATOM 465 HE3 LYS A 32 238.739 77.814 -10.589 1.00 2.97 H +ATOM 466 HZ1 LYS A 32 237.549 80.117 -10.863 1.00 3.60 H +ATOM 467 HZ2 LYS A 32 237.281 79.936 -9.194 1.00 3.55 H +ATOM 468 HZ3 LYS A 32 236.713 78.761 -10.282 1.00 3.28 H +ATOM 469 N THR A 33 237.616 80.345 -3.989 1.00 0.97 N +ATOM 470 CA THR A 33 236.308 80.910 -3.552 1.00 1.03 C +ATOM 471 C THR A 33 236.547 82.264 -2.882 1.00 1.03 C +ATOM 472 O THR A 33 235.669 83.102 -2.819 1.00 1.07 O +ATOM 473 CB THR A 33 235.647 79.957 -2.554 1.00 1.12 C +ATOM 474 OG1 THR A 33 235.622 78.649 -3.099 1.00 1.47 O +ATOM 475 CG2 THR A 33 234.218 80.421 -2.270 1.00 1.69 C +ATOM 476 H THR A 33 237.957 79.524 -3.577 1.00 0.97 H +ATOM 477 HA THR A 33 235.665 81.039 -4.410 1.00 1.05 H +ATOM 478 HB THR A 33 236.207 79.952 -1.635 1.00 1.32 H +ATOM 479 HG1 THR A 33 236.519 78.413 -3.351 1.00 1.90 H +ATOM 480 HG21 THR A 33 233.701 79.665 -1.699 1.00 2.17 H +ATOM 481 HG22 THR A 33 233.699 80.586 -3.203 1.00 2.02 H +ATOM 482 HG23 THR A 33 234.244 81.343 -1.705 1.00 2.18 H +ATOM 483 N LYS A 34 237.733 82.480 -2.382 1.00 1.04 N +ATOM 484 CA LYS A 34 238.042 83.775 -1.713 1.00 1.11 C +ATOM 485 C LYS A 34 237.940 84.913 -2.734 1.00 1.08 C +ATOM 486 O LYS A 34 237.502 86.001 -2.427 1.00 1.11 O +ATOM 487 CB LYS A 34 239.464 83.717 -1.143 1.00 1.19 C +ATOM 488 CG LYS A 34 239.651 84.817 -0.095 1.00 1.78 C +ATOM 489 CD LYS A 34 241.034 84.681 0.544 1.00 2.13 C +ATOM 490 CE LYS A 34 241.239 85.799 1.570 1.00 2.87 C +ATOM 491 NZ LYS A 34 240.283 85.617 2.702 1.00 3.37 N +ATOM 492 H LYS A 34 238.423 81.788 -2.446 1.00 1.02 H +ATOM 493 HA LYS A 34 237.337 83.944 -0.912 1.00 1.17 H +ATOM 494 HB2 LYS A 34 239.625 82.751 -0.682 1.00 1.54 H +ATOM 495 HB3 LYS A 34 240.179 83.857 -1.940 1.00 1.52 H +ATOM 496 HG2 LYS A 34 239.565 85.783 -0.568 1.00 2.32 H +ATOM 497 HG3 LYS A 34 238.897 84.721 0.667 1.00 2.30 H +ATOM 498 HD2 LYS A 34 241.112 83.721 1.033 1.00 2.52 H +ATOM 499 HD3 LYS A 34 241.793 84.756 -0.224 1.00 2.28 H +ATOM 500 HE2 LYS A 34 242.252 85.762 1.944 1.00 3.18 H +ATOM 501 HE3 LYS A 34 241.062 86.754 1.100 1.00 3.40 H +ATOM 502 HZ1 LYS A 34 240.213 86.505 3.241 1.00 3.79 H +ATOM 503 HZ2 LYS A 34 240.625 84.858 3.325 1.00 3.60 H +ATOM 504 HZ3 LYS A 34 239.347 85.364 2.328 1.00 3.65 H +ATOM 505 N GLU A 35 238.353 84.668 -3.948 1.00 1.06 N +ATOM 506 CA GLU A 35 238.286 85.729 -4.991 1.00 1.12 C +ATOM 507 C GLU A 35 236.867 85.798 -5.562 1.00 1.07 C +ATOM 508 O GLU A 35 236.469 86.792 -6.142 1.00 1.09 O +ATOM 509 CB GLU A 35 239.272 85.397 -6.114 1.00 1.21 C +ATOM 510 CG GLU A 35 239.250 86.501 -7.176 1.00 1.69 C +ATOM 511 CD GLU A 35 240.279 86.182 -8.264 1.00 2.36 C +ATOM 512 OE1 GLU A 35 239.986 85.351 -9.107 1.00 2.87 O +ATOM 513 OE2 GLU A 35 241.344 86.776 -8.235 1.00 3.03 O +ATOM 514 H GLU A 35 238.710 83.783 -4.173 1.00 1.05 H +ATOM 515 HA GLU A 35 238.545 86.682 -4.554 1.00 1.20 H +ATOM 516 HB2 GLU A 35 240.267 85.311 -5.703 1.00 1.59 H +ATOM 517 HB3 GLU A 35 238.990 84.457 -6.569 1.00 1.43 H +ATOM 518 HG2 GLU A 35 238.269 86.563 -7.620 1.00 2.24 H +ATOM 519 HG3 GLU A 35 239.498 87.445 -6.718 1.00 2.06 H +ATOM 520 N GLY A 36 236.103 84.753 -5.406 1.00 1.07 N +ATOM 521 CA GLY A 36 234.713 84.760 -5.944 1.00 1.13 C +ATOM 522 C GLY A 36 233.936 85.937 -5.351 1.00 1.13 C +ATOM 523 O GLY A 36 233.416 86.769 -6.062 1.00 1.19 O +ATOM 524 H GLY A 36 236.443 83.962 -4.938 1.00 1.09 H +ATOM 525 HA2 GLY A 36 234.747 84.855 -7.019 1.00 1.18 H +ATOM 526 HA3 GLY A 36 234.220 83.837 -5.677 1.00 1.19 H +ATOM 527 N VAL A 37 233.850 86.010 -4.051 1.00 1.15 N +ATOM 528 CA VAL A 37 233.103 87.132 -3.415 1.00 1.25 C +ATOM 529 C VAL A 37 233.694 88.467 -3.873 1.00 1.15 C +ATOM 530 O VAL A 37 233.004 89.460 -3.972 1.00 1.22 O +ATOM 531 CB VAL A 37 233.215 87.020 -1.894 1.00 1.42 C +ATOM 532 CG1 VAL A 37 232.559 85.719 -1.430 1.00 2.05 C +ATOM 533 CG2 VAL A 37 234.691 87.019 -1.488 1.00 1.72 C +ATOM 534 H VAL A 37 234.276 85.326 -3.493 1.00 1.15 H +ATOM 535 HA VAL A 37 232.064 87.081 -3.703 1.00 1.35 H +ATOM 536 HB VAL A 37 232.712 87.861 -1.434 1.00 1.89 H +ATOM 537 HG11 VAL A 37 232.431 85.744 -0.359 1.00 2.45 H +ATOM 538 HG12 VAL A 37 233.189 84.882 -1.697 1.00 2.35 H +ATOM 539 HG13 VAL A 37 231.596 85.613 -1.906 1.00 2.66 H +ATOM 540 HG21 VAL A 37 235.144 87.956 -1.770 1.00 2.26 H +ATOM 541 HG22 VAL A 37 235.201 86.210 -1.988 1.00 2.23 H +ATOM 542 HG23 VAL A 37 234.769 86.890 -0.420 1.00 1.96 H +ATOM 543 N LEU A 38 234.969 88.499 -4.154 1.00 1.05 N +ATOM 544 CA LEU A 38 235.608 89.771 -4.604 1.00 1.02 C +ATOM 545 C LEU A 38 235.442 89.915 -6.121 1.00 0.91 C +ATOM 546 O LEU A 38 235.911 89.095 -6.885 1.00 0.86 O +ATOM 547 CB LEU A 38 237.103 89.742 -4.250 1.00 1.08 C +ATOM 548 CG LEU A 38 237.738 91.126 -4.490 1.00 1.63 C +ATOM 549 CD1 LEU A 38 237.469 92.056 -3.294 1.00 2.30 C +ATOM 550 CD2 LEU A 38 239.253 90.971 -4.669 1.00 2.37 C +ATOM 551 H LEU A 38 235.509 87.686 -4.068 1.00 1.05 H +ATOM 552 HA LEU A 38 235.136 90.608 -4.112 1.00 1.09 H +ATOM 553 HB2 LEU A 38 237.220 89.459 -3.211 1.00 1.39 H +ATOM 554 HB3 LEU A 38 237.597 89.009 -4.872 1.00 1.33 H +ATOM 555 HG LEU A 38 237.316 91.565 -5.381 1.00 2.16 H +ATOM 556 HD11 LEU A 38 236.427 92.326 -3.263 1.00 2.81 H +ATOM 557 HD12 LEU A 38 238.066 92.950 -3.399 1.00 2.71 H +ATOM 558 HD13 LEU A 38 237.740 91.555 -2.372 1.00 2.69 H +ATOM 559 HD21 LEU A 38 239.637 90.309 -3.909 1.00 2.81 H +ATOM 560 HD22 LEU A 38 239.729 91.936 -4.581 1.00 2.74 H +ATOM 561 HD23 LEU A 38 239.456 90.555 -5.646 1.00 2.90 H +ATOM 562 N TYR A 39 234.787 90.954 -6.563 1.00 0.93 N +ATOM 563 CA TYR A 39 234.600 91.145 -8.029 1.00 0.89 C +ATOM 564 C TYR A 39 235.964 91.427 -8.673 1.00 0.86 C +ATOM 565 O TYR A 39 236.909 91.807 -8.012 1.00 0.99 O +ATOM 566 CB TYR A 39 233.639 92.333 -8.274 1.00 1.01 C +ATOM 567 CG TYR A 39 232.210 91.865 -8.113 1.00 1.47 C +ATOM 568 CD1 TYR A 39 231.607 91.855 -6.851 1.00 2.17 C +ATOM 569 CD2 TYR A 39 231.491 91.438 -9.235 1.00 2.41 C +ATOM 570 CE1 TYR A 39 230.284 91.417 -6.713 1.00 3.18 C +ATOM 571 CE2 TYR A 39 230.170 91.000 -9.096 1.00 3.42 C +ATOM 572 CZ TYR A 39 229.565 90.988 -7.836 1.00 3.67 C +ATOM 573 OH TYR A 39 228.262 90.553 -7.700 1.00 4.83 O +ATOM 574 H TYR A 39 234.422 91.609 -5.932 1.00 1.02 H +ATOM 575 HA TYR A 39 234.190 90.241 -8.457 1.00 0.90 H +ATOM 576 HB2 TYR A 39 233.843 93.115 -7.556 1.00 1.49 H +ATOM 577 HB3 TYR A 39 233.782 92.714 -9.276 1.00 1.54 H +ATOM 578 HD1 TYR A 39 232.157 92.187 -5.985 1.00 2.47 H +ATOM 579 HD2 TYR A 39 231.956 91.447 -10.209 1.00 2.76 H +ATOM 580 HE1 TYR A 39 229.819 91.408 -5.741 1.00 3.91 H +ATOM 581 HE2 TYR A 39 229.616 90.671 -9.962 1.00 4.29 H +ATOM 582 HH TYR A 39 227.925 90.352 -8.575 1.00 5.05 H +ATOM 583 N VAL A 40 236.065 91.244 -9.964 1.00 0.81 N +ATOM 584 CA VAL A 40 237.357 91.500 -10.667 1.00 0.89 C +ATOM 585 C VAL A 40 237.062 92.042 -12.068 1.00 0.81 C +ATOM 586 O VAL A 40 236.938 91.297 -13.021 1.00 0.77 O +ATOM 587 CB VAL A 40 238.148 90.194 -10.779 1.00 1.03 C +ATOM 588 CG1 VAL A 40 239.598 90.498 -11.162 1.00 1.54 C +ATOM 589 CG2 VAL A 40 238.120 89.465 -9.435 1.00 1.92 C +ATOM 590 H VAL A 40 235.285 90.940 -10.474 1.00 0.80 H +ATOM 591 HA VAL A 40 237.937 92.229 -10.116 1.00 1.02 H +ATOM 592 HB VAL A 40 237.701 89.569 -11.537 1.00 1.26 H +ATOM 593 HG11 VAL A 40 239.613 91.235 -11.951 1.00 2.17 H +ATOM 594 HG12 VAL A 40 240.076 89.590 -11.505 1.00 1.98 H +ATOM 595 HG13 VAL A 40 240.126 90.877 -10.302 1.00 1.96 H +ATOM 596 HG21 VAL A 40 238.777 88.610 -9.476 1.00 2.46 H +ATOM 597 HG22 VAL A 40 237.112 89.136 -9.226 1.00 2.31 H +ATOM 598 HG23 VAL A 40 238.448 90.135 -8.654 1.00 2.42 H +ATOM 599 N GLY A 41 236.944 93.336 -12.198 1.00 0.84 N +ATOM 600 CA GLY A 41 236.650 93.934 -13.533 1.00 0.81 C +ATOM 601 C GLY A 41 237.594 93.354 -14.590 1.00 0.80 C +ATOM 602 O GLY A 41 237.417 93.567 -15.772 1.00 0.83 O +ATOM 603 H GLY A 41 237.043 93.916 -11.414 1.00 0.91 H +ATOM 604 HA2 GLY A 41 235.626 93.715 -13.805 1.00 0.77 H +ATOM 605 HA3 GLY A 41 236.788 95.003 -13.484 1.00 0.88 H +ATOM 606 N SER A 42 238.597 92.625 -14.180 1.00 0.79 N +ATOM 607 CA SER A 42 239.545 92.040 -15.171 1.00 0.81 C +ATOM 608 C SER A 42 238.938 90.770 -15.776 1.00 0.78 C +ATOM 609 O SER A 42 238.948 90.578 -16.973 1.00 0.81 O +ATOM 610 CB SER A 42 240.866 91.698 -14.476 1.00 0.87 C +ATOM 611 OG SER A 42 241.887 91.563 -15.455 1.00 1.67 O +ATOM 612 H SER A 42 238.727 92.465 -13.222 1.00 0.79 H +ATOM 613 HA SER A 42 239.730 92.757 -15.958 1.00 0.83 H +ATOM 614 HB2 SER A 42 241.132 92.486 -13.795 1.00 1.33 H +ATOM 615 HB3 SER A 42 240.757 90.769 -13.927 1.00 1.17 H +ATOM 616 HG SER A 42 241.969 92.403 -15.913 1.00 2.13 H +ATOM 617 N LYS A 43 238.407 89.901 -14.956 1.00 0.81 N +ATOM 618 CA LYS A 43 237.800 88.643 -15.487 1.00 0.83 C +ATOM 619 C LYS A 43 236.346 88.906 -15.889 1.00 0.70 C +ATOM 620 O LYS A 43 235.428 88.649 -15.135 1.00 0.85 O +ATOM 621 CB LYS A 43 237.839 87.559 -14.406 1.00 1.11 C +ATOM 622 CG LYS A 43 237.363 86.230 -15.008 1.00 1.69 C +ATOM 623 CD LYS A 43 237.489 85.099 -13.964 1.00 2.28 C +ATOM 624 CE LYS A 43 238.894 84.476 -13.994 1.00 2.80 C +ATOM 625 NZ LYS A 43 239.864 85.398 -13.336 1.00 3.35 N +ATOM 626 H LYS A 43 238.407 90.074 -13.991 1.00 0.86 H +ATOM 627 HA LYS A 43 238.357 88.309 -16.350 1.00 0.84 H +ATOM 628 HB2 LYS A 43 238.850 87.452 -14.045 1.00 1.36 H +ATOM 629 HB3 LYS A 43 237.188 87.837 -13.589 1.00 1.61 H +ATOM 630 HG2 LYS A 43 236.329 86.330 -15.305 1.00 2.21 H +ATOM 631 HG3 LYS A 43 237.957 85.998 -15.877 1.00 2.03 H +ATOM 632 HD2 LYS A 43 237.296 85.492 -12.976 1.00 2.63 H +ATOM 633 HD3 LYS A 43 236.761 84.331 -14.184 1.00 2.73 H +ATOM 634 HE2 LYS A 43 238.879 83.537 -13.458 1.00 3.07 H +ATOM 635 HE3 LYS A 43 239.200 84.298 -15.014 1.00 3.26 H +ATOM 636 HZ1 LYS A 43 240.263 86.042 -14.047 1.00 3.64 H +ATOM 637 HZ2 LYS A 43 240.628 84.843 -12.900 1.00 3.68 H +ATOM 638 HZ3 LYS A 43 239.379 85.951 -12.604 1.00 3.72 H +ATOM 639 N THR A 44 236.130 89.413 -17.074 1.00 0.56 N +ATOM 640 CA THR A 44 234.736 89.693 -17.533 1.00 0.61 C +ATOM 641 C THR A 44 234.188 88.469 -18.272 1.00 0.60 C +ATOM 642 O THR A 44 234.923 87.571 -18.635 1.00 0.57 O +ATOM 643 CB THR A 44 234.747 90.897 -18.480 1.00 0.69 C +ATOM 644 OG1 THR A 44 235.267 92.027 -17.795 1.00 0.72 O +ATOM 645 CG2 THR A 44 233.323 91.199 -18.954 1.00 0.93 C +ATOM 646 H THR A 44 236.887 89.610 -17.666 1.00 0.57 H +ATOM 647 HA THR A 44 234.107 89.911 -16.681 1.00 0.73 H +ATOM 648 HB THR A 44 235.368 90.678 -19.335 1.00 0.69 H +ATOM 649 HG1 THR A 44 235.583 92.654 -18.451 1.00 0.75 H +ATOM 650 HG21 THR A 44 233.283 92.200 -19.356 1.00 1.40 H +ATOM 651 HG22 THR A 44 232.641 91.118 -18.120 1.00 1.34 H +ATOM 652 HG23 THR A 44 233.040 90.492 -19.719 1.00 1.41 H +ATOM 653 N LYS A 45 232.902 88.424 -18.492 1.00 0.66 N +ATOM 654 CA LYS A 45 232.309 87.258 -19.206 1.00 0.69 C +ATOM 655 C LYS A 45 233.092 86.996 -20.495 1.00 0.65 C +ATOM 656 O LYS A 45 233.601 85.913 -20.715 1.00 0.62 O +ATOM 657 CB LYS A 45 230.849 87.560 -19.552 1.00 0.81 C +ATOM 658 CG LYS A 45 230.102 87.962 -18.276 1.00 1.45 C +ATOM 659 CD LYS A 45 228.645 88.281 -18.612 1.00 1.58 C +ATOM 660 CE LYS A 45 227.956 88.860 -17.375 1.00 2.07 C +ATOM 661 NZ LYS A 45 228.080 87.902 -16.240 1.00 2.83 N +ATOM 662 H LYS A 45 232.327 89.156 -18.187 1.00 0.70 H +ATOM 663 HA LYS A 45 232.355 86.385 -18.572 1.00 0.69 H +ATOM 664 HB2 LYS A 45 230.807 88.370 -20.266 1.00 1.33 H +ATOM 665 HB3 LYS A 45 230.388 86.680 -19.974 1.00 1.27 H +ATOM 666 HG2 LYS A 45 230.138 87.148 -17.565 1.00 2.08 H +ATOM 667 HG3 LYS A 45 230.570 88.835 -17.846 1.00 2.11 H +ATOM 668 HD2 LYS A 45 228.609 88.999 -19.417 1.00 1.96 H +ATOM 669 HD3 LYS A 45 228.138 87.377 -18.913 1.00 2.02 H +ATOM 670 HE2 LYS A 45 228.422 89.799 -17.107 1.00 2.49 H +ATOM 671 HE3 LYS A 45 226.912 89.030 -17.591 1.00 2.41 H +ATOM 672 HZ1 LYS A 45 227.563 87.029 -16.461 1.00 3.24 H +ATOM 673 HZ2 LYS A 45 227.680 88.333 -15.380 1.00 3.13 H +ATOM 674 HZ3 LYS A 45 229.083 87.679 -16.081 1.00 3.29 H +ATOM 675 N GLU A 46 233.194 87.977 -21.348 1.00 0.67 N +ATOM 676 CA GLU A 46 233.942 87.783 -22.622 1.00 0.68 C +ATOM 677 C GLU A 46 235.317 87.181 -22.322 1.00 0.63 C +ATOM 678 O GLU A 46 235.844 86.404 -23.091 1.00 0.63 O +ATOM 679 CB GLU A 46 234.119 89.133 -23.321 1.00 0.75 C +ATOM 680 CG GLU A 46 234.800 88.927 -24.675 1.00 1.43 C +ATOM 681 CD GLU A 46 234.918 90.273 -25.394 1.00 1.87 C +ATOM 682 OE1 GLU A 46 234.706 91.286 -24.747 1.00 2.71 O +ATOM 683 OE2 GLU A 46 235.217 90.268 -26.578 1.00 2.06 O +ATOM 684 H GLU A 46 232.778 88.842 -21.152 1.00 0.71 H +ATOM 685 HA GLU A 46 233.389 87.115 -23.266 1.00 0.70 H +ATOM 686 HB2 GLU A 46 233.151 89.592 -23.470 1.00 1.16 H +ATOM 687 HB3 GLU A 46 234.733 89.776 -22.708 1.00 1.24 H +ATOM 688 HG2 GLU A 46 235.787 88.512 -24.522 1.00 2.03 H +ATOM 689 HG3 GLU A 46 234.215 88.249 -25.273 1.00 2.03 H +ATOM 690 N GLY A 47 235.899 87.532 -21.208 1.00 0.61 N +ATOM 691 CA GLY A 47 237.238 86.978 -20.862 1.00 0.61 C +ATOM 692 C GLY A 47 237.108 85.484 -20.561 1.00 0.58 C +ATOM 693 O GLY A 47 237.957 84.690 -20.924 1.00 0.59 O +ATOM 694 H GLY A 47 235.456 88.160 -20.600 1.00 0.62 H +ATOM 695 HA2 GLY A 47 237.913 87.124 -21.693 1.00 0.65 H +ATOM 696 HA3 GLY A 47 237.622 87.485 -19.989 1.00 0.64 H +ATOM 697 N VAL A 48 236.052 85.092 -19.904 1.00 0.58 N +ATOM 698 CA VAL A 48 235.867 83.650 -19.580 1.00 0.59 C +ATOM 699 C VAL A 48 235.676 82.859 -20.876 1.00 0.56 C +ATOM 700 O VAL A 48 236.275 81.821 -21.076 1.00 0.56 O +ATOM 701 CB VAL A 48 234.634 83.484 -18.690 1.00 0.68 C +ATOM 702 CG1 VAL A 48 234.320 81.995 -18.512 1.00 1.27 C +ATOM 703 CG2 VAL A 48 234.907 84.111 -17.321 1.00 1.24 C +ATOM 704 H VAL A 48 235.380 85.747 -19.622 1.00 0.60 H +ATOM 705 HA VAL A 48 236.739 83.284 -19.060 1.00 0.61 H +ATOM 706 HB VAL A 48 233.791 83.978 -19.151 1.00 1.18 H +ATOM 707 HG11 VAL A 48 235.231 81.457 -18.292 1.00 1.71 H +ATOM 708 HG12 VAL A 48 233.885 81.608 -19.421 1.00 1.91 H +ATOM 709 HG13 VAL A 48 233.622 81.867 -17.696 1.00 1.81 H +ATOM 710 HG21 VAL A 48 234.000 84.115 -16.735 1.00 1.84 H +ATOM 711 HG22 VAL A 48 235.253 85.127 -17.454 1.00 1.74 H +ATOM 712 HG23 VAL A 48 235.665 83.533 -16.808 1.00 1.77 H +ATOM 713 N VAL A 49 234.847 83.342 -21.760 1.00 0.58 N +ATOM 714 CA VAL A 49 234.620 82.618 -23.042 1.00 0.59 C +ATOM 715 C VAL A 49 235.959 82.411 -23.753 1.00 0.56 C +ATOM 716 O VAL A 49 236.209 81.376 -24.340 1.00 0.56 O +ATOM 717 CB VAL A 49 233.690 83.440 -23.936 1.00 0.65 C +ATOM 718 CG1 VAL A 49 233.581 82.784 -25.315 1.00 0.91 C +ATOM 719 CG2 VAL A 49 232.298 83.510 -23.297 1.00 0.84 C +ATOM 720 H VAL A 49 234.375 84.182 -21.581 1.00 0.60 H +ATOM 721 HA VAL A 49 234.169 81.658 -22.839 1.00 0.60 H +ATOM 722 HB VAL A 49 234.088 84.436 -24.043 1.00 0.86 H +ATOM 723 HG11 VAL A 49 232.760 83.227 -25.861 1.00 1.35 H +ATOM 724 HG12 VAL A 49 233.403 81.725 -25.195 1.00 1.45 H +ATOM 725 HG13 VAL A 49 234.501 82.937 -25.860 1.00 1.44 H +ATOM 726 HG21 VAL A 49 231.684 84.205 -23.848 1.00 1.44 H +ATOM 727 HG22 VAL A 49 232.387 83.843 -22.273 1.00 1.32 H +ATOM 728 HG23 VAL A 49 231.845 82.531 -23.321 1.00 1.37 H +ATOM 729 N HIS A 50 236.822 83.389 -23.709 1.00 0.56 N +ATOM 730 CA HIS A 50 238.143 83.250 -24.383 1.00 0.57 C +ATOM 731 C HIS A 50 238.999 82.237 -23.621 1.00 0.55 C +ATOM 732 O HIS A 50 239.860 81.588 -24.181 1.00 0.57 O +ATOM 733 CB HIS A 50 238.853 84.606 -24.401 1.00 0.60 C +ATOM 734 CG HIS A 50 240.184 84.467 -25.087 1.00 0.64 C +ATOM 735 ND1 HIS A 50 240.325 83.834 -26.314 1.00 1.33 N +ATOM 736 CD2 HIS A 50 241.440 84.882 -24.733 1.00 1.21 C +ATOM 737 CE1 HIS A 50 241.628 83.887 -26.653 1.00 1.11 C +ATOM 738 NE2 HIS A 50 242.349 84.516 -25.723 1.00 0.87 N +ATOM 739 H HIS A 50 236.600 84.217 -23.232 1.00 0.57 H +ATOM 740 HA HIS A 50 237.997 82.906 -25.396 1.00 0.60 H +ATOM 741 HB2 HIS A 50 238.244 85.323 -24.930 1.00 0.64 H +ATOM 742 HB3 HIS A 50 239.005 84.946 -23.387 1.00 0.59 H +ATOM 743 HD1 HIS A 50 239.606 83.419 -26.840 1.00 2.14 H +ATOM 744 HD2 HIS A 50 241.685 85.408 -23.822 1.00 2.14 H +ATOM 745 HE1 HIS A 50 242.039 83.467 -27.563 1.00 1.73 H +ATOM 746 HE2 HIS A 50 243.315 84.691 -25.736 1.00 1.21 H +ATOM 747 N GLY A 51 238.768 82.091 -22.345 1.00 0.53 N +ATOM 748 CA GLY A 51 239.568 81.118 -21.549 1.00 0.55 C +ATOM 749 C GLY A 51 239.228 79.694 -21.992 1.00 0.54 C +ATOM 750 O GLY A 51 240.076 78.960 -22.458 1.00 0.57 O +ATOM 751 H GLY A 51 238.067 82.620 -21.910 1.00 0.53 H +ATOM 752 HA2 GLY A 51 240.622 81.305 -21.708 1.00 0.57 H +ATOM 753 HA3 GLY A 51 239.339 81.231 -20.503 1.00 0.56 H +ATOM 754 N VAL A 52 237.992 79.301 -21.853 1.00 0.53 N +ATOM 755 CA VAL A 52 237.598 77.925 -22.267 1.00 0.55 C +ATOM 756 C VAL A 52 237.970 77.712 -23.736 1.00 0.56 C +ATOM 757 O VAL A 52 238.262 76.613 -24.158 1.00 0.58 O +ATOM 758 CB VAL A 52 236.088 77.753 -22.093 1.00 0.56 C +ATOM 759 CG1 VAL A 52 235.725 77.906 -20.615 1.00 0.58 C +ATOM 760 CG2 VAL A 52 235.354 78.819 -22.912 1.00 0.56 C +ATOM 761 H VAL A 52 237.323 79.910 -21.477 1.00 0.53 H +ATOM 762 HA VAL A 52 238.116 77.202 -21.655 1.00 0.56 H +ATOM 763 HB VAL A 52 235.796 76.772 -22.435 1.00 0.58 H +ATOM 764 HG11 VAL A 52 236.078 77.044 -20.066 1.00 1.24 H +ATOM 765 HG12 VAL A 52 234.650 77.983 -20.513 1.00 1.17 H +ATOM 766 HG13 VAL A 52 236.191 78.798 -20.222 1.00 1.02 H +ATOM 767 HG21 VAL A 52 235.708 79.799 -22.627 1.00 1.16 H +ATOM 768 HG22 VAL A 52 234.292 78.748 -22.725 1.00 1.16 H +ATOM 769 HG23 VAL A 52 235.546 78.658 -23.961 1.00 1.10 H +ATOM 770 N ALA A 53 237.959 78.756 -24.519 1.00 0.56 N +ATOM 771 CA ALA A 53 238.312 78.612 -25.959 1.00 0.60 C +ATOM 772 C ALA A 53 239.798 78.271 -26.088 1.00 0.62 C +ATOM 773 O ALA A 53 240.201 77.524 -26.957 1.00 0.65 O +ATOM 774 CB ALA A 53 238.027 79.927 -26.688 1.00 0.62 C +ATOM 775 H ALA A 53 237.718 79.636 -24.159 1.00 0.55 H +ATOM 776 HA ALA A 53 237.722 77.822 -26.398 1.00 0.62 H +ATOM 777 HB1 ALA A 53 238.768 80.662 -26.408 1.00 1.08 H +ATOM 778 HB2 ALA A 53 237.043 80.285 -26.419 1.00 1.10 H +ATOM 779 HB3 ALA A 53 238.069 79.764 -27.755 1.00 1.16 H +ATOM 780 N THR A 54 240.617 78.812 -25.227 1.00 0.61 N +ATOM 781 CA THR A 54 242.076 78.519 -25.300 1.00 0.65 C +ATOM 782 C THR A 54 242.342 77.115 -24.752 1.00 0.64 C +ATOM 783 O THR A 54 243.127 76.366 -25.293 1.00 0.66 O +ATOM 784 CB THR A 54 242.845 79.547 -24.467 1.00 0.67 C +ATOM 785 OG1 THR A 54 242.436 80.856 -24.836 1.00 1.12 O +ATOM 786 CG2 THR A 54 244.348 79.390 -24.714 1.00 1.19 C +ATOM 787 H THR A 54 240.272 79.412 -24.533 1.00 0.59 H +ATOM 788 HA THR A 54 242.403 78.572 -26.328 1.00 0.68 H +ATOM 789 HB THR A 54 242.641 79.388 -23.423 1.00 1.01 H +ATOM 790 HG1 THR A 54 242.375 81.382 -24.037 1.00 1.51 H +ATOM 791 HG21 THR A 54 244.579 79.707 -25.718 1.00 1.50 H +ATOM 792 HG22 THR A 54 244.628 78.356 -24.590 1.00 1.87 H +ATOM 793 HG23 THR A 54 244.894 80.000 -24.010 1.00 1.71 H +ATOM 794 N VAL A 55 241.692 76.754 -23.680 1.00 0.61 N +ATOM 795 CA VAL A 55 241.908 75.398 -23.098 1.00 0.61 C +ATOM 796 C VAL A 55 241.458 74.334 -24.101 1.00 0.59 C +ATOM 797 O VAL A 55 241.880 73.195 -24.045 1.00 0.59 O +ATOM 798 CB VAL A 55 241.095 75.261 -21.810 1.00 0.61 C +ATOM 799 CG1 VAL A 55 241.195 73.826 -21.285 1.00 0.63 C +ATOM 800 CG2 VAL A 55 241.644 76.227 -20.757 1.00 0.63 C +ATOM 801 H VAL A 55 241.062 77.373 -23.257 1.00 0.60 H +ATOM 802 HA VAL A 55 242.957 75.265 -22.877 1.00 0.63 H +ATOM 803 HB VAL A 55 240.056 75.497 -22.012 1.00 0.60 H +ATOM 804 HG11 VAL A 55 242.224 73.503 -21.325 1.00 1.10 H +ATOM 805 HG12 VAL A 55 240.593 73.176 -21.899 1.00 1.07 H +ATOM 806 HG13 VAL A 55 240.846 73.789 -20.266 1.00 1.22 H +ATOM 807 HG21 VAL A 55 242.697 76.035 -20.608 1.00 1.08 H +ATOM 808 HG22 VAL A 55 241.117 76.080 -19.826 1.00 1.26 H +ATOM 809 HG23 VAL A 55 241.508 77.242 -21.095 1.00 1.26 H +ATOM 810 N ALA A 56 240.600 74.692 -25.017 1.00 0.59 N +ATOM 811 CA ALA A 56 240.124 73.700 -26.021 1.00 0.59 C +ATOM 812 C ALA A 56 241.249 73.394 -27.010 1.00 0.59 C +ATOM 813 O ALA A 56 241.280 72.348 -27.629 1.00 0.60 O +ATOM 814 CB ALA A 56 238.923 74.274 -26.776 1.00 0.62 C +ATOM 815 H ALA A 56 240.270 75.615 -25.044 1.00 0.60 H +ATOM 816 HA ALA A 56 239.831 72.791 -25.517 1.00 0.59 H +ATOM 817 HB1 ALA A 56 238.228 74.704 -26.070 1.00 1.13 H +ATOM 818 HB2 ALA A 56 238.436 73.486 -27.327 1.00 1.14 H +ATOM 819 HB3 ALA A 56 239.260 75.037 -27.460 1.00 1.16 H +ATOM 820 N GLU A 57 242.177 74.299 -27.166 1.00 0.60 N +ATOM 821 CA GLU A 57 243.300 74.058 -28.116 1.00 0.63 C +ATOM 822 C GLU A 57 244.308 73.101 -27.478 1.00 0.63 C +ATOM 823 O GLU A 57 244.834 72.218 -28.123 1.00 0.65 O +ATOM 824 CB GLU A 57 243.988 75.386 -28.437 1.00 0.66 C +ATOM 825 CG GLU A 57 243.039 76.274 -29.243 1.00 1.29 C +ATOM 826 CD GLU A 57 243.701 77.629 -29.498 1.00 1.92 C +ATOM 827 OE1 GLU A 57 244.839 77.797 -29.086 1.00 2.44 O +ATOM 828 OE2 GLU A 57 243.061 78.474 -30.099 1.00 2.61 O +ATOM 829 H GLU A 57 242.135 75.136 -26.659 1.00 0.60 H +ATOM 830 HA GLU A 57 242.915 73.622 -29.026 1.00 0.65 H +ATOM 831 HB2 GLU A 57 244.252 75.885 -27.517 1.00 0.93 H +ATOM 832 HB3 GLU A 57 244.880 75.199 -29.018 1.00 1.18 H +ATOM 833 HG2 GLU A 57 242.815 75.799 -30.188 1.00 1.92 H +ATOM 834 HG3 GLU A 57 242.126 76.422 -28.689 1.00 1.87 H +ATOM 835 N LYS A 58 244.578 73.266 -26.212 1.00 0.62 N +ATOM 836 CA LYS A 58 245.550 72.364 -25.533 1.00 0.64 C +ATOM 837 C LYS A 58 244.936 70.969 -25.396 1.00 0.61 C +ATOM 838 O LYS A 58 245.603 69.966 -25.566 1.00 0.62 O +ATOM 839 CB LYS A 58 245.876 72.918 -24.144 1.00 0.68 C +ATOM 840 CG LYS A 58 246.660 74.223 -24.285 1.00 1.43 C +ATOM 841 CD LYS A 58 246.938 74.801 -22.896 1.00 1.92 C +ATOM 842 CE LYS A 58 247.728 76.101 -23.031 1.00 2.77 C +ATOM 843 NZ LYS A 58 247.970 76.679 -21.678 1.00 3.39 N +ATOM 844 H LYS A 58 244.140 73.983 -25.708 1.00 0.61 H +ATOM 845 HA LYS A 58 246.456 72.303 -26.119 1.00 0.68 H +ATOM 846 HB2 LYS A 58 244.957 73.104 -23.605 1.00 1.09 H +ATOM 847 HB3 LYS A 58 246.471 72.200 -23.602 1.00 1.14 H +ATOM 848 HG2 LYS A 58 247.596 74.026 -24.790 1.00 2.15 H +ATOM 849 HG3 LYS A 58 246.082 74.931 -24.860 1.00 1.92 H +ATOM 850 HD2 LYS A 58 245.999 74.998 -22.394 1.00 2.14 H +ATOM 851 HD3 LYS A 58 247.513 74.090 -22.321 1.00 2.40 H +ATOM 852 HE2 LYS A 58 248.675 75.900 -23.512 1.00 3.26 H +ATOM 853 HE3 LYS A 58 247.162 76.804 -23.625 1.00 3.05 H +ATOM 854 HZ1 LYS A 58 248.169 75.915 -21.003 1.00 3.55 H +ATOM 855 HZ2 LYS A 58 247.126 77.201 -21.371 1.00 3.83 H +ATOM 856 HZ3 LYS A 58 248.784 77.325 -21.717 1.00 3.79 H +ATOM 857 N THR A 59 243.669 70.897 -25.090 1.00 0.59 N +ATOM 858 CA THR A 59 243.012 69.569 -24.943 1.00 0.58 C +ATOM 859 C THR A 59 243.330 68.704 -26.165 1.00 0.55 C +ATOM 860 O THR A 59 243.348 67.493 -26.090 1.00 0.54 O +ATOM 861 CB THR A 59 241.497 69.760 -24.834 1.00 0.65 C +ATOM 862 OG1 THR A 59 241.210 70.727 -23.829 1.00 0.95 O +ATOM 863 CG2 THR A 59 240.834 68.432 -24.466 1.00 1.29 C +ATOM 864 H THR A 59 243.150 71.718 -24.959 1.00 0.61 H +ATOM 865 HA THR A 59 243.378 69.082 -24.051 1.00 0.61 H +ATOM 866 HB THR A 59 241.110 70.097 -25.782 1.00 1.13 H +ATOM 867 HG1 THR A 59 241.994 71.265 -23.708 1.00 1.48 H +ATOM 868 HG21 THR A 59 241.182 67.655 -25.131 1.00 1.88 H +ATOM 869 HG22 THR A 59 239.761 68.528 -24.561 1.00 1.84 H +ATOM 870 HG23 THR A 59 241.085 68.175 -23.447 1.00 1.70 H +ATOM 871 N LYS A 60 243.578 69.319 -27.289 1.00 0.60 N +ATOM 872 CA LYS A 60 243.893 68.532 -28.514 1.00 0.67 C +ATOM 873 C LYS A 60 245.296 67.934 -28.390 1.00 0.67 C +ATOM 874 O LYS A 60 245.534 66.808 -28.773 1.00 0.70 O +ATOM 875 CB LYS A 60 243.835 69.450 -29.738 1.00 0.80 C +ATOM 876 CG LYS A 60 242.386 69.840 -30.030 1.00 0.89 C +ATOM 877 CD LYS A 60 242.350 70.788 -31.232 1.00 1.33 C +ATOM 878 CE LYS A 60 240.902 71.179 -31.536 1.00 1.66 C +ATOM 879 NZ LYS A 60 240.184 70.005 -32.108 1.00 2.08 N +ATOM 880 H LYS A 60 243.556 70.298 -27.327 1.00 0.64 H +ATOM 881 HA LYS A 60 243.171 67.737 -28.627 1.00 0.67 H +ATOM 882 HB2 LYS A 60 244.419 70.342 -29.548 1.00 0.83 H +ATOM 883 HB3 LYS A 60 244.244 68.935 -30.591 1.00 0.85 H +ATOM 884 HG2 LYS A 60 241.811 68.954 -30.250 1.00 1.32 H +ATOM 885 HG3 LYS A 60 241.966 70.336 -29.170 1.00 1.01 H +ATOM 886 HD2 LYS A 60 242.926 71.676 -31.007 1.00 1.90 H +ATOM 887 HD3 LYS A 60 242.776 70.295 -32.093 1.00 1.96 H +ATOM 888 HE2 LYS A 60 240.415 71.493 -30.626 1.00 2.27 H +ATOM 889 HE3 LYS A 60 240.891 71.991 -32.249 1.00 2.03 H +ATOM 890 HZ1 LYS A 60 239.895 69.364 -31.345 1.00 2.40 H +ATOM 891 HZ2 LYS A 60 240.815 69.501 -32.762 1.00 2.56 H +ATOM 892 HZ3 LYS A 60 239.341 70.329 -32.620 1.00 2.41 H +ATOM 893 N GLU A 61 246.226 68.680 -27.860 1.00 0.69 N +ATOM 894 CA GLU A 61 247.612 68.153 -27.713 1.00 0.79 C +ATOM 895 C GLU A 61 247.638 67.076 -26.626 1.00 0.76 C +ATOM 896 O GLU A 61 248.515 66.229 -26.595 1.00 0.84 O +ATOM 897 CB GLU A 61 248.553 69.295 -27.322 1.00 0.86 C +ATOM 898 CG GLU A 61 248.673 70.279 -28.488 1.00 0.93 C +ATOM 899 CD GLU A 61 249.543 71.467 -28.069 1.00 1.54 C +ATOM 900 OE1 GLU A 61 250.013 71.464 -26.942 1.00 2.19 O +ATOM 901 OE2 GLU A 61 249.723 72.362 -28.881 1.00 2.19 O +ATOM 902 H GLU A 61 246.013 69.588 -27.560 1.00 0.67 H +ATOM 903 HA GLU A 61 247.936 67.725 -28.651 1.00 0.88 H +ATOM 904 HB2 GLU A 61 248.159 69.806 -26.455 1.00 0.78 H +ATOM 905 HB3 GLU A 61 249.530 68.895 -27.090 1.00 0.97 H +ATOM 906 HG2 GLU A 61 249.125 69.784 -29.335 1.00 1.29 H +ATOM 907 HG3 GLU A 61 247.690 70.633 -28.761 1.00 1.22 H +ATOM 908 N GLN A 62 246.686 67.097 -25.733 1.00 0.67 N +ATOM 909 CA GLN A 62 246.659 66.075 -24.649 1.00 0.70 C +ATOM 910 C GLN A 62 246.074 64.769 -25.192 1.00 0.67 C +ATOM 911 O GLN A 62 246.723 63.743 -25.201 1.00 0.69 O +ATOM 912 CB GLN A 62 245.791 66.580 -23.494 1.00 0.68 C +ATOM 913 CG GLN A 62 245.897 65.614 -22.311 1.00 1.40 C +ATOM 914 CD GLN A 62 245.059 66.142 -21.144 1.00 1.96 C +ATOM 915 OE1 GLN A 62 243.935 65.723 -20.946 1.00 2.49 O +ATOM 916 NE2 GLN A 62 245.561 67.050 -20.358 1.00 2.65 N +ATOM 917 H GLN A 62 245.990 67.785 -25.776 1.00 0.63 H +ATOM 918 HA GLN A 62 247.663 65.898 -24.294 1.00 0.80 H +ATOM 919 HB2 GLN A 62 246.133 67.561 -23.190 1.00 1.07 H +ATOM 920 HB3 GLN A 62 244.764 66.640 -23.816 1.00 1.04 H +ATOM 921 HG2 GLN A 62 245.532 64.642 -22.609 1.00 2.06 H +ATOM 922 HG3 GLN A 62 246.928 65.533 -22.004 1.00 1.90 H +ATOM 923 HE21 GLN A 62 246.465 67.390 -20.516 1.00 2.89 H +ATOM 924 HE22 GLN A 62 245.032 67.394 -19.610 1.00 3.26 H +ATOM 925 N VAL A 63 244.849 64.798 -25.642 1.00 0.64 N +ATOM 926 CA VAL A 63 244.223 63.559 -26.182 1.00 0.64 C +ATOM 927 C VAL A 63 245.153 62.926 -27.220 1.00 0.67 C +ATOM 928 O VAL A 63 245.199 61.720 -27.374 1.00 0.67 O +ATOM 929 CB VAL A 63 242.887 63.907 -26.840 1.00 0.68 C +ATOM 930 CG1 VAL A 63 241.966 64.560 -25.808 1.00 0.82 C +ATOM 931 CG2 VAL A 63 243.127 64.882 -27.996 1.00 0.80 C +ATOM 932 H VAL A 63 244.340 65.636 -25.623 1.00 0.64 H +ATOM 933 HA VAL A 63 244.056 62.860 -25.376 1.00 0.63 H +ATOM 934 HB VAL A 63 242.428 63.007 -27.214 1.00 0.69 H +ATOM 935 HG11 VAL A 63 242.468 65.404 -25.358 1.00 1.20 H +ATOM 936 HG12 VAL A 63 241.715 63.842 -25.043 1.00 1.50 H +ATOM 937 HG13 VAL A 63 241.060 64.897 -26.296 1.00 1.27 H +ATOM 938 HG21 VAL A 63 243.591 64.357 -28.820 1.00 1.24 H +ATOM 939 HG22 VAL A 63 243.777 65.677 -27.666 1.00 1.25 H +ATOM 940 HG23 VAL A 63 242.185 65.298 -28.318 1.00 1.39 H +ATOM 941 N THR A 64 245.893 63.727 -27.936 1.00 0.74 N +ATOM 942 CA THR A 64 246.817 63.168 -28.963 1.00 0.84 C +ATOM 943 C THR A 64 247.916 62.357 -28.273 1.00 0.82 C +ATOM 944 O THR A 64 248.223 61.248 -28.665 1.00 0.85 O +ATOM 945 CB THR A 64 247.448 64.315 -29.759 1.00 1.00 C +ATOM 946 OG1 THR A 64 247.853 65.338 -28.863 1.00 1.23 O +ATOM 947 CG2 THR A 64 246.431 64.878 -30.754 1.00 1.48 C +ATOM 948 H THR A 64 245.841 64.696 -27.798 1.00 0.75 H +ATOM 949 HA THR A 64 246.264 62.526 -29.633 1.00 0.87 H +ATOM 950 HB THR A 64 248.305 63.951 -30.298 1.00 1.26 H +ATOM 951 HG1 THR A 64 247.160 65.449 -28.206 1.00 1.30 H +ATOM 952 HG21 THR A 64 246.760 65.846 -31.101 1.00 1.81 H +ATOM 953 HG22 THR A 64 245.469 64.977 -30.273 1.00 2.01 H +ATOM 954 HG23 THR A 64 246.343 64.206 -31.597 1.00 1.97 H +ATOM 955 N ASN A 65 248.515 62.901 -27.249 1.00 0.83 N +ATOM 956 CA ASN A 65 249.593 62.159 -26.537 1.00 0.92 C +ATOM 957 C ASN A 65 248.999 60.928 -25.849 1.00 0.87 C +ATOM 958 O ASN A 65 249.529 59.839 -25.935 1.00 0.99 O +ATOM 959 CB ASN A 65 250.232 63.071 -25.487 1.00 1.01 C +ATOM 960 CG ASN A 65 251.221 64.024 -26.163 1.00 1.66 C +ATOM 961 OD1 ASN A 65 251.152 65.224 -25.979 1.00 2.37 O +ATOM 962 ND2 ASN A 65 252.148 63.536 -26.942 1.00 2.34 N +ATOM 963 H ASN A 65 248.256 63.798 -26.949 1.00 0.82 H +ATOM 964 HA ASN A 65 250.345 61.847 -27.247 1.00 1.04 H +ATOM 965 HB2 ASN A 65 249.460 63.644 -24.995 1.00 1.41 H +ATOM 966 HB3 ASN A 65 250.758 62.472 -24.758 1.00 1.33 H +ATOM 967 HD21 ASN A 65 252.206 62.567 -27.091 1.00 2.59 H +ATOM 968 HD22 ASN A 65 252.789 64.137 -27.378 1.00 3.00 H +ATOM 969 N VAL A 66 247.898 61.092 -25.166 1.00 0.78 N +ATOM 970 CA VAL A 66 247.271 59.931 -24.473 1.00 0.84 C +ATOM 971 C VAL A 66 246.561 59.047 -25.500 1.00 0.79 C +ATOM 972 O VAL A 66 246.426 57.854 -25.319 1.00 0.83 O +ATOM 973 CB VAL A 66 246.255 60.438 -23.449 1.00 0.87 C +ATOM 974 CG1 VAL A 66 245.651 59.252 -22.694 1.00 1.37 C +ATOM 975 CG2 VAL A 66 246.956 61.369 -22.456 1.00 1.50 C +ATOM 976 H VAL A 66 247.485 61.979 -25.108 1.00 0.75 H +ATOM 977 HA VAL A 66 248.034 59.357 -23.970 1.00 0.98 H +ATOM 978 HB VAL A 66 245.469 60.977 -23.956 1.00 1.52 H +ATOM 979 HG11 VAL A 66 244.990 59.618 -21.923 1.00 1.89 H +ATOM 980 HG12 VAL A 66 246.443 58.672 -22.244 1.00 2.01 H +ATOM 981 HG13 VAL A 66 245.095 58.634 -23.381 1.00 1.77 H +ATOM 982 HG21 VAL A 66 246.224 61.815 -21.800 1.00 2.06 H +ATOM 983 HG22 VAL A 66 247.470 62.150 -22.997 1.00 1.98 H +ATOM 984 HG23 VAL A 66 247.666 60.804 -21.872 1.00 2.03 H +ATOM 985 N GLY A 67 246.113 59.622 -26.583 1.00 0.72 N +ATOM 986 CA GLY A 67 245.412 58.815 -27.621 1.00 0.71 C +ATOM 987 C GLY A 67 246.240 57.571 -27.949 1.00 0.77 C +ATOM 988 O GLY A 67 245.709 56.509 -28.190 1.00 0.77 O +ATOM 989 H GLY A 67 246.238 60.585 -26.713 1.00 0.71 H +ATOM 990 HA2 GLY A 67 244.439 58.515 -27.249 1.00 0.68 H +ATOM 991 HA3 GLY A 67 245.285 59.407 -28.514 1.00 0.73 H +ATOM 992 N GLY A 68 247.539 57.695 -27.956 1.00 0.85 N +ATOM 993 CA GLY A 68 248.399 56.519 -28.269 1.00 0.94 C +ATOM 994 C GLY A 68 248.528 55.635 -27.027 1.00 0.96 C +ATOM 995 O GLY A 68 248.929 54.491 -27.107 1.00 1.01 O +ATOM 996 H GLY A 68 247.949 58.562 -27.755 1.00 0.85 H +ATOM 997 HA2 GLY A 68 247.953 55.950 -29.073 1.00 0.96 H +ATOM 998 HA3 GLY A 68 249.377 56.857 -28.567 1.00 1.00 H +ATOM 999 N ALA A 69 248.192 56.155 -25.878 1.00 0.96 N +ATOM 1000 CA ALA A 69 248.297 55.344 -24.632 1.00 1.02 C +ATOM 1001 C ALA A 69 247.064 54.448 -24.498 1.00 0.92 C +ATOM 1002 O ALA A 69 247.172 53.263 -24.246 1.00 0.91 O +ATOM 1003 CB ALA A 69 248.383 56.278 -23.422 1.00 1.09 C +ATOM 1004 H ALA A 69 247.870 57.080 -25.835 1.00 0.94 H +ATOM 1005 HA ALA A 69 249.185 54.730 -24.674 1.00 1.13 H +ATOM 1006 HB1 ALA A 69 248.406 55.690 -22.515 1.00 1.54 H +ATOM 1007 HB2 ALA A 69 247.522 56.928 -23.407 1.00 1.50 H +ATOM 1008 HB3 ALA A 69 249.278 56.872 -23.488 1.00 1.49 H +ATOM 1009 N VAL A 70 245.892 55.001 -24.662 1.00 0.86 N +ATOM 1010 CA VAL A 70 244.658 54.175 -24.541 1.00 0.80 C +ATOM 1011 C VAL A 70 244.704 53.033 -25.560 1.00 0.77 C +ATOM 1012 O VAL A 70 244.246 51.939 -25.298 1.00 0.74 O +ATOM 1013 CB VAL A 70 243.426 55.048 -24.801 1.00 0.83 C +ATOM 1014 CG1 VAL A 70 243.242 56.028 -23.642 1.00 1.46 C +ATOM 1015 CG2 VAL A 70 243.618 55.829 -26.101 1.00 1.00 C +ATOM 1016 H VAL A 70 245.825 55.957 -24.864 1.00 0.88 H +ATOM 1017 HA VAL A 70 244.601 53.761 -23.545 1.00 0.80 H +ATOM 1018 HB VAL A 70 242.548 54.421 -24.882 1.00 1.50 H +ATOM 1019 HG11 VAL A 70 242.857 55.500 -22.782 1.00 2.15 H +ATOM 1020 HG12 VAL A 70 242.545 56.801 -23.927 1.00 1.86 H +ATOM 1021 HG13 VAL A 70 244.194 56.474 -23.394 1.00 1.81 H +ATOM 1022 HG21 VAL A 70 244.513 56.432 -26.031 1.00 1.67 H +ATOM 1023 HG22 VAL A 70 242.761 56.471 -26.266 1.00 1.53 H +ATOM 1024 HG23 VAL A 70 243.712 55.137 -26.923 1.00 1.52 H +ATOM 1025 N VAL A 71 245.252 53.276 -26.720 1.00 0.80 N +ATOM 1026 CA VAL A 71 245.327 52.198 -27.746 1.00 0.83 C +ATOM 1027 C VAL A 71 246.249 51.086 -27.240 1.00 0.88 C +ATOM 1028 O VAL A 71 245.937 49.915 -27.337 1.00 0.87 O +ATOM 1029 CB VAL A 71 245.879 52.774 -29.054 1.00 0.93 C +ATOM 1030 CG1 VAL A 71 246.150 51.637 -30.042 1.00 1.02 C +ATOM 1031 CG2 VAL A 71 244.855 53.735 -29.660 1.00 0.88 C +ATOM 1032 H VAL A 71 245.617 54.165 -26.914 1.00 0.83 H +ATOM 1033 HA VAL A 71 244.339 51.796 -27.917 1.00 0.77 H +ATOM 1034 HB VAL A 71 246.800 53.302 -28.854 1.00 1.00 H +ATOM 1035 HG11 VAL A 71 245.302 50.970 -30.064 1.00 1.50 H +ATOM 1036 HG12 VAL A 71 247.028 51.094 -29.733 1.00 1.40 H +ATOM 1037 HG13 VAL A 71 246.310 52.047 -31.027 1.00 1.43 H +ATOM 1038 HG21 VAL A 71 245.241 54.133 -30.587 1.00 1.33 H +ATOM 1039 HG22 VAL A 71 244.668 54.547 -28.974 1.00 1.17 H +ATOM 1040 HG23 VAL A 71 243.933 53.209 -29.851 1.00 1.40 H +ATOM 1041 N THR A 72 247.382 51.443 -26.699 1.00 0.95 N +ATOM 1042 CA THR A 72 248.321 50.407 -26.186 1.00 1.02 C +ATOM 1043 C THR A 72 247.687 49.698 -24.987 1.00 0.98 C +ATOM 1044 O THR A 72 247.803 48.500 -24.829 1.00 0.99 O +ATOM 1045 CB THR A 72 249.628 51.073 -25.752 1.00 1.11 C +ATOM 1046 OG1 THR A 72 249.336 52.150 -24.870 1.00 1.58 O +ATOM 1047 CG2 THR A 72 250.363 51.605 -26.983 1.00 1.58 C +ATOM 1048 H THR A 72 247.614 52.392 -26.630 1.00 0.96 H +ATOM 1049 HA THR A 72 248.524 49.687 -26.965 1.00 1.06 H +ATOM 1050 HB THR A 72 250.252 50.355 -25.247 1.00 1.30 H +ATOM 1051 HG1 THR A 72 250.116 52.703 -24.804 1.00 1.71 H +ATOM 1052 HG21 THR A 72 249.671 52.149 -27.608 1.00 2.04 H +ATOM 1053 HG22 THR A 72 250.777 50.776 -27.537 1.00 2.13 H +ATOM 1054 HG23 THR A 72 251.160 52.260 -26.672 1.00 1.96 H +ATOM 1055 N GLY A 73 247.012 50.429 -24.143 1.00 0.95 N +ATOM 1056 CA GLY A 73 246.370 49.797 -22.956 1.00 0.93 C +ATOM 1057 C GLY A 73 245.344 48.763 -23.421 1.00 0.87 C +ATOM 1058 O GLY A 73 245.390 47.611 -23.034 1.00 0.88 O +ATOM 1059 H GLY A 73 246.926 51.394 -24.291 1.00 0.94 H +ATOM 1060 HA2 GLY A 73 247.126 49.312 -22.356 1.00 0.99 H +ATOM 1061 HA3 GLY A 73 245.875 50.553 -22.368 1.00 0.92 H +ATOM 1062 N VAL A 74 244.421 49.162 -24.254 1.00 0.84 N +ATOM 1063 CA VAL A 74 243.394 48.199 -24.743 1.00 0.80 C +ATOM 1064 C VAL A 74 244.089 46.949 -25.285 1.00 0.81 C +ATOM 1065 O VAL A 74 243.626 45.841 -25.102 1.00 0.79 O +ATOM 1066 CB VAL A 74 242.572 48.851 -25.857 1.00 0.79 C +ATOM 1067 CG1 VAL A 74 241.644 47.813 -26.490 1.00 0.84 C +ATOM 1068 CG2 VAL A 74 241.736 49.989 -25.267 1.00 0.82 C +ATOM 1069 H VAL A 74 244.404 50.093 -24.557 1.00 0.85 H +ATOM 1070 HA VAL A 74 242.742 47.924 -23.927 1.00 0.78 H +ATOM 1071 HB VAL A 74 243.239 49.246 -26.613 1.00 0.78 H +ATOM 1072 HG11 VAL A 74 241.161 47.239 -25.714 1.00 1.27 H +ATOM 1073 HG12 VAL A 74 242.220 47.151 -27.119 1.00 1.33 H +ATOM 1074 HG13 VAL A 74 240.895 48.315 -27.088 1.00 1.36 H +ATOM 1075 HG21 VAL A 74 241.316 50.580 -26.067 1.00 1.26 H +ATOM 1076 HG22 VAL A 74 242.366 50.617 -24.652 1.00 1.22 H +ATOM 1077 HG23 VAL A 74 240.939 49.576 -24.664 1.00 1.42 H +ATOM 1078 N THR A 75 245.200 47.118 -25.949 1.00 0.85 N +ATOM 1079 CA THR A 75 245.924 45.938 -26.500 1.00 0.88 C +ATOM 1080 C THR A 75 246.298 44.994 -25.355 1.00 0.89 C +ATOM 1081 O THR A 75 246.192 43.788 -25.469 1.00 0.88 O +ATOM 1082 CB THR A 75 247.194 46.404 -27.214 1.00 0.96 C +ATOM 1083 OG1 THR A 75 246.875 47.473 -28.096 1.00 1.39 O +ATOM 1084 CG2 THR A 75 247.796 45.244 -28.007 1.00 1.70 C +ATOM 1085 H THR A 75 245.559 48.020 -26.085 1.00 0.87 H +ATOM 1086 HA THR A 75 245.286 45.419 -27.200 1.00 0.87 H +ATOM 1087 HB THR A 75 247.912 46.744 -26.482 1.00 1.36 H +ATOM 1088 HG1 THR A 75 247.093 48.297 -27.654 1.00 1.68 H +ATOM 1089 HG21 THR A 75 247.035 44.801 -28.633 1.00 2.19 H +ATOM 1090 HG22 THR A 75 248.175 44.497 -27.321 1.00 2.27 H +ATOM 1091 HG23 THR A 75 248.602 45.613 -28.628 1.00 2.15 H +ATOM 1092 N ALA A 76 246.734 45.533 -24.249 1.00 0.91 N +ATOM 1093 CA ALA A 76 247.112 44.667 -23.097 1.00 0.94 C +ATOM 1094 C ALA A 76 245.872 43.930 -22.589 1.00 0.87 C +ATOM 1095 O ALA A 76 245.922 42.765 -22.259 1.00 0.87 O +ATOM 1096 CB ALA A 76 247.685 45.533 -21.973 1.00 0.99 C +ATOM 1097 H ALA A 76 246.812 46.507 -24.176 1.00 0.92 H +ATOM 1098 HA ALA A 76 247.854 43.949 -23.413 1.00 0.98 H +ATOM 1099 HB1 ALA A 76 248.077 44.898 -21.194 1.00 1.34 H +ATOM 1100 HB2 ALA A 76 246.903 46.158 -21.568 1.00 1.36 H +ATOM 1101 HB3 ALA A 76 248.476 46.155 -22.366 1.00 1.34 H +ATOM 1102 N VAL A 77 244.756 44.604 -22.525 1.00 0.82 N +ATOM 1103 CA VAL A 77 243.512 43.943 -22.042 1.00 0.77 C +ATOM 1104 C VAL A 77 243.063 42.899 -23.065 1.00 0.73 C +ATOM 1105 O VAL A 77 242.492 41.880 -22.722 1.00 0.73 O +ATOM 1106 CB VAL A 77 242.412 44.991 -21.867 1.00 0.75 C +ATOM 1107 CG1 VAL A 77 241.165 44.332 -21.274 1.00 0.78 C +ATOM 1108 CG2 VAL A 77 242.903 46.095 -20.929 1.00 1.02 C +ATOM 1109 H VAL A 77 244.736 45.545 -22.797 1.00 0.82 H +ATOM 1110 HA VAL A 77 243.705 43.460 -21.095 1.00 0.80 H +ATOM 1111 HB VAL A 77 242.167 45.417 -22.830 1.00 0.92 H +ATOM 1112 HG11 VAL A 77 241.439 43.759 -20.401 1.00 1.32 H +ATOM 1113 HG12 VAL A 77 240.720 43.680 -22.008 1.00 1.37 H +ATOM 1114 HG13 VAL A 77 240.452 45.097 -20.995 1.00 1.25 H +ATOM 1115 HG21 VAL A 77 243.612 46.723 -21.450 1.00 1.43 H +ATOM 1116 HG22 VAL A 77 243.382 45.649 -20.070 1.00 1.48 H +ATOM 1117 HG23 VAL A 77 242.064 46.692 -20.605 1.00 1.51 H +ATOM 1118 N ALA A 78 243.319 43.142 -24.322 1.00 0.73 N +ATOM 1119 CA ALA A 78 242.908 42.167 -25.370 1.00 0.72 C +ATOM 1120 C ALA A 78 243.600 40.825 -25.120 1.00 0.75 C +ATOM 1121 O ALA A 78 242.970 39.786 -25.093 1.00 0.73 O +ATOM 1122 CB ALA A 78 243.313 42.700 -26.746 1.00 0.77 C +ATOM 1123 H ALA A 78 243.782 43.967 -24.576 1.00 0.74 H +ATOM 1124 HA ALA A 78 241.837 42.032 -25.337 1.00 0.69 H +ATOM 1125 HB1 ALA A 78 244.365 42.947 -26.738 1.00 1.34 H +ATOM 1126 HB2 ALA A 78 242.733 43.582 -26.976 1.00 1.32 H +ATOM 1127 HB3 ALA A 78 243.128 41.941 -27.496 1.00 1.13 H +ATOM 1128 N GLN A 79 244.892 40.838 -24.940 1.00 0.81 N +ATOM 1129 CA GLN A 79 245.622 39.563 -24.691 1.00 0.86 C +ATOM 1130 C GLN A 79 245.280 39.049 -23.292 1.00 0.84 C +ATOM 1131 O GLN A 79 245.494 37.901 -22.972 1.00 0.85 O +ATOM 1132 CB GLN A 79 247.129 39.810 -24.792 1.00 0.95 C +ATOM 1133 CG GLN A 79 247.495 40.147 -26.239 1.00 0.98 C +ATOM 1134 CD GLN A 79 248.988 40.469 -26.320 1.00 1.59 C +ATOM 1135 OE1 GLN A 79 249.699 40.348 -25.343 1.00 2.53 O +ATOM 1136 NE2 GLN A 79 249.500 40.879 -27.447 1.00 1.94 N +ATOM 1137 H GLN A 79 245.382 41.686 -24.967 1.00 0.83 H +ATOM 1138 HA GLN A 79 245.327 38.829 -25.427 1.00 0.86 H +ATOM 1139 HB2 GLN A 79 247.403 40.634 -24.147 1.00 0.95 H +ATOM 1140 HB3 GLN A 79 247.662 38.918 -24.486 1.00 1.05 H +ATOM 1141 HG2 GLN A 79 247.270 39.304 -26.876 1.00 1.45 H +ATOM 1142 HG3 GLN A 79 246.928 41.004 -26.563 1.00 1.38 H +ATOM 1143 HE21 GLN A 79 248.932 40.981 -28.239 1.00 1.96 H +ATOM 1144 HE22 GLN A 79 250.456 41.086 -27.501 1.00 2.65 H +ATOM 1145 N LYS A 80 244.752 39.899 -22.454 1.00 0.82 N +ATOM 1146 CA LYS A 80 244.392 39.467 -21.074 1.00 0.83 C +ATOM 1147 C LYS A 80 243.030 38.767 -21.106 1.00 0.76 C +ATOM 1148 O LYS A 80 242.694 38.001 -20.225 1.00 0.78 O +ATOM 1149 CB LYS A 80 244.322 40.698 -20.162 1.00 0.87 C +ATOM 1150 CG LYS A 80 244.458 40.268 -18.696 1.00 1.36 C +ATOM 1151 CD LYS A 80 244.535 41.504 -17.799 1.00 1.67 C +ATOM 1152 CE LYS A 80 244.788 41.067 -16.353 1.00 2.10 C +ATOM 1153 NZ LYS A 80 243.609 40.307 -15.849 1.00 2.90 N +ATOM 1154 H LYS A 80 244.591 40.824 -22.734 1.00 0.82 H +ATOM 1155 HA LYS A 80 245.141 38.782 -20.704 1.00 0.89 H +ATOM 1156 HB2 LYS A 80 245.127 41.376 -20.412 1.00 1.27 H +ATOM 1157 HB3 LYS A 80 243.375 41.200 -20.300 1.00 1.15 H +ATOM 1158 HG2 LYS A 80 243.603 39.672 -18.415 1.00 1.95 H +ATOM 1159 HG3 LYS A 80 245.353 39.684 -18.573 1.00 1.91 H +ATOM 1160 HD2 LYS A 80 245.343 42.139 -18.133 1.00 2.13 H +ATOM 1161 HD3 LYS A 80 243.602 42.050 -17.853 1.00 2.14 H +ATOM 1162 HE2 LYS A 80 245.666 40.436 -16.314 1.00 2.29 H +ATOM 1163 HE3 LYS A 80 244.943 41.938 -15.735 1.00 2.52 H +ATOM 1164 HZ1 LYS A 80 243.065 39.936 -16.654 1.00 3.38 H +ATOM 1165 HZ2 LYS A 80 243.008 40.941 -15.282 1.00 3.33 H +ATOM 1166 HZ3 LYS A 80 243.932 39.514 -15.257 1.00 3.14 H +ATOM 1167 N THR A 81 242.246 39.024 -22.118 1.00 0.71 N +ATOM 1168 CA THR A 81 240.906 38.378 -22.210 1.00 0.67 C +ATOM 1169 C THR A 81 241.056 36.962 -22.772 1.00 0.66 C +ATOM 1170 O THR A 81 240.565 36.005 -22.206 1.00 0.66 O +ATOM 1171 CB THR A 81 240.007 39.200 -23.137 1.00 0.64 C +ATOM 1172 OG1 THR A 81 240.083 40.574 -22.774 1.00 1.21 O +ATOM 1173 CG2 THR A 81 238.561 38.712 -23.013 1.00 1.34 C +ATOM 1174 H THR A 81 242.539 39.644 -22.818 1.00 0.70 H +ATOM 1175 HA THR A 81 240.461 38.329 -21.227 1.00 0.69 H +ATOM 1176 HB THR A 81 240.337 39.078 -24.158 1.00 1.09 H +ATOM 1177 HG1 THR A 81 239.229 40.975 -22.945 1.00 1.60 H +ATOM 1178 HG21 THR A 81 237.973 39.116 -23.826 1.00 1.78 H +ATOM 1179 HG22 THR A 81 238.147 39.043 -22.069 1.00 1.87 H +ATOM 1180 HG23 THR A 81 238.543 37.630 -23.058 1.00 1.97 H +ATOM 1181 N VAL A 82 241.727 36.820 -23.883 1.00 0.68 N +ATOM 1182 CA VAL A 82 241.902 35.465 -24.478 1.00 0.70 C +ATOM 1183 C VAL A 82 242.469 34.513 -23.423 1.00 0.72 C +ATOM 1184 O VAL A 82 242.094 33.362 -23.349 1.00 0.72 O +ATOM 1185 CB VAL A 82 242.864 35.545 -25.665 1.00 0.77 C +ATOM 1186 CG1 VAL A 82 242.289 36.486 -26.724 1.00 0.77 C +ATOM 1187 CG2 VAL A 82 244.215 36.079 -25.186 1.00 0.82 C +ATOM 1188 H VAL A 82 242.113 37.604 -24.326 1.00 0.69 H +ATOM 1189 HA VAL A 82 240.945 35.096 -24.816 1.00 0.67 H +ATOM 1190 HB VAL A 82 242.995 34.558 -26.092 1.00 0.80 H +ATOM 1191 HG11 VAL A 82 241.468 36.001 -27.230 1.00 1.21 H +ATOM 1192 HG12 VAL A 82 243.059 36.734 -27.441 1.00 1.27 H +ATOM 1193 HG13 VAL A 82 241.935 37.391 -26.247 1.00 1.21 H +ATOM 1194 HG21 VAL A 82 244.722 35.314 -24.618 1.00 1.24 H +ATOM 1195 HG22 VAL A 82 244.058 36.945 -24.562 1.00 1.33 H +ATOM 1196 HG23 VAL A 82 244.816 36.352 -26.037 1.00 1.37 H +ATOM 1197 N GLU A 83 243.367 34.985 -22.603 1.00 0.78 N +ATOM 1198 CA GLU A 83 243.954 34.103 -21.555 1.00 0.84 C +ATOM 1199 C GLU A 83 242.852 33.661 -20.591 1.00 0.83 C +ATOM 1200 O GLU A 83 242.758 32.504 -20.226 1.00 0.85 O +ATOM 1201 CB GLU A 83 245.032 34.868 -20.785 1.00 0.95 C +ATOM 1202 CG GLU A 83 246.232 35.108 -21.699 1.00 1.36 C +ATOM 1203 CD GLU A 83 247.269 35.960 -20.968 1.00 1.80 C +ATOM 1204 OE1 GLU A 83 247.033 36.295 -19.820 1.00 2.43 O +ATOM 1205 OE2 GLU A 83 248.288 36.262 -21.567 1.00 2.34 O +ATOM 1206 H GLU A 83 243.655 35.919 -22.675 1.00 0.79 H +ATOM 1207 HA GLU A 83 244.393 33.233 -22.022 1.00 0.86 H +ATOM 1208 HB2 GLU A 83 244.635 35.815 -20.451 1.00 1.32 H +ATOM 1209 HB3 GLU A 83 245.344 34.287 -19.930 1.00 1.18 H +ATOM 1210 HG2 GLU A 83 246.673 34.160 -21.971 1.00 1.80 H +ATOM 1211 HG3 GLU A 83 245.912 35.622 -22.592 1.00 1.97 H +ATOM 1212 N GLY A 84 242.011 34.570 -20.180 1.00 0.84 N +ATOM 1213 CA GLY A 84 240.914 34.200 -19.242 1.00 0.90 C +ATOM 1214 C GLY A 84 240.073 33.082 -19.860 1.00 0.82 C +ATOM 1215 O GLY A 84 239.442 32.312 -19.165 1.00 0.87 O +ATOM 1216 H GLY A 84 242.099 35.495 -20.490 1.00 0.84 H +ATOM 1217 HA2 GLY A 84 241.338 33.861 -18.307 1.00 0.97 H +ATOM 1218 HA3 GLY A 84 240.287 35.060 -19.061 1.00 0.99 H +ATOM 1219 N ALA A 85 240.060 32.987 -21.162 1.00 0.75 N +ATOM 1220 CA ALA A 85 239.261 31.918 -21.823 1.00 0.78 C +ATOM 1221 C ALA A 85 239.719 30.552 -21.308 1.00 0.76 C +ATOM 1222 O ALA A 85 238.930 29.642 -21.152 1.00 0.81 O +ATOM 1223 CB ALA A 85 239.467 31.989 -23.337 1.00 0.83 C +ATOM 1224 H ALA A 85 240.577 33.619 -21.704 1.00 0.74 H +ATOM 1225 HA ALA A 85 238.215 32.057 -21.595 1.00 0.86 H +ATOM 1226 HB1 ALA A 85 239.372 33.012 -23.665 1.00 1.45 H +ATOM 1227 HB2 ALA A 85 238.724 31.384 -23.830 1.00 1.34 H +ATOM 1228 HB3 ALA A 85 240.454 31.623 -23.584 1.00 1.15 H +ATOM 1229 N GLY A 86 240.988 30.403 -21.042 1.00 0.78 N +ATOM 1230 CA GLY A 86 241.494 29.096 -20.535 1.00 0.87 C +ATOM 1231 C GLY A 86 240.656 28.658 -19.334 1.00 0.88 C +ATOM 1232 O GLY A 86 240.273 27.509 -19.217 1.00 0.93 O +ATOM 1233 H GLY A 86 241.607 31.151 -21.173 1.00 0.79 H +ATOM 1234 HA2 GLY A 86 241.419 28.355 -21.314 1.00 0.90 H +ATOM 1235 HA3 GLY A 86 242.523 29.203 -20.229 1.00 0.97 H +ATOM 1236 N SER A 87 240.365 29.564 -18.441 1.00 0.92 N +ATOM 1237 CA SER A 87 239.549 29.200 -17.249 1.00 1.04 C +ATOM 1238 C SER A 87 238.187 28.677 -17.707 1.00 1.01 C +ATOM 1239 O SER A 87 237.671 27.712 -17.178 1.00 1.10 O +ATOM 1240 CB SER A 87 239.352 30.435 -16.369 1.00 1.19 C +ATOM 1241 OG SER A 87 238.611 30.077 -15.211 1.00 1.62 O +ATOM 1242 H SER A 87 240.681 30.485 -18.555 1.00 0.92 H +ATOM 1243 HA SER A 87 240.058 28.433 -16.684 1.00 1.12 H +ATOM 1244 HB2 SER A 87 240.311 30.823 -16.066 1.00 1.31 H +ATOM 1245 HB3 SER A 87 238.818 31.189 -16.929 1.00 1.27 H +ATOM 1246 HG SER A 87 238.525 30.858 -14.656 1.00 1.87 H +ATOM 1247 N ILE A 88 237.600 29.306 -18.689 1.00 0.95 N +ATOM 1248 CA ILE A 88 236.273 28.842 -19.181 1.00 1.07 C +ATOM 1249 C ILE A 88 236.399 27.411 -19.706 1.00 1.09 C +ATOM 1250 O ILE A 88 235.558 26.572 -19.457 1.00 1.23 O +ATOM 1251 CB ILE A 88 235.798 29.761 -20.308 1.00 1.12 C +ATOM 1252 CG1 ILE A 88 235.795 31.214 -19.815 1.00 1.37 C +ATOM 1253 CG2 ILE A 88 234.380 29.364 -20.726 1.00 1.64 C +ATOM 1254 CD1 ILE A 88 235.417 32.154 -20.968 1.00 1.95 C +ATOM 1255 H ILE A 88 238.033 30.081 -19.103 1.00 0.89 H +ATOM 1256 HA ILE A 88 235.559 28.867 -18.371 1.00 1.20 H +ATOM 1257 HB ILE A 88 236.463 29.668 -21.152 1.00 1.31 H +ATOM 1258 HG12 ILE A 88 235.077 31.319 -19.015 1.00 1.76 H +ATOM 1259 HG13 ILE A 88 236.779 31.471 -19.451 1.00 1.92 H +ATOM 1260 HG21 ILE A 88 234.374 28.339 -21.067 1.00 2.09 H +ATOM 1261 HG22 ILE A 88 234.046 30.006 -21.527 1.00 1.95 H +ATOM 1262 HG23 ILE A 88 233.716 29.465 -19.882 1.00 2.17 H +ATOM 1263 HD11 ILE A 88 235.728 33.160 -20.730 1.00 2.47 H +ATOM 1264 HD12 ILE A 88 234.349 32.134 -21.110 1.00 2.37 H +ATOM 1265 HD13 ILE A 88 235.905 31.832 -21.876 1.00 2.33 H +ATOM 1266 N ALA A 89 237.448 27.124 -20.428 1.00 1.02 N +ATOM 1267 CA ALA A 89 237.628 25.745 -20.965 1.00 1.13 C +ATOM 1268 C ALA A 89 237.531 24.738 -19.817 1.00 1.19 C +ATOM 1269 O ALA A 89 236.936 23.689 -19.948 1.00 1.33 O +ATOM 1270 CB ALA A 89 239.001 25.631 -21.630 1.00 1.15 C +ATOM 1271 H ALA A 89 238.118 27.814 -20.615 1.00 0.93 H +ATOM 1272 HA ALA A 89 236.856 25.538 -21.692 1.00 1.26 H +ATOM 1273 HB1 ALA A 89 239.166 24.609 -21.943 1.00 1.67 H +ATOM 1274 HB2 ALA A 89 239.766 25.918 -20.927 1.00 1.44 H +ATOM 1275 HB3 ALA A 89 239.037 26.284 -22.495 1.00 1.49 H +ATOM 1276 N ALA A 90 238.113 25.051 -18.692 1.00 1.15 N +ATOM 1277 CA ALA A 90 238.053 24.113 -17.536 1.00 1.29 C +ATOM 1278 C ALA A 90 236.604 23.979 -17.067 1.00 1.39 C +ATOM 1279 O ALA A 90 236.112 22.891 -16.833 1.00 1.54 O +ATOM 1280 CB ALA A 90 238.912 24.656 -16.392 1.00 1.36 C +ATOM 1281 H ALA A 90 238.589 25.904 -18.606 1.00 1.08 H +ATOM 1282 HA ALA A 90 238.425 23.145 -17.838 1.00 1.36 H +ATOM 1283 HB1 ALA A 90 239.937 24.762 -16.728 1.00 1.88 H +ATOM 1284 HB2 ALA A 90 238.873 23.972 -15.558 1.00 1.74 H +ATOM 1285 HB3 ALA A 90 238.534 25.619 -16.083 1.00 1.53 H +ATOM 1286 N ALA A 91 235.913 25.077 -16.926 1.00 1.38 N +ATOM 1287 CA ALA A 91 234.495 25.012 -16.474 1.00 1.59 C +ATOM 1288 C ALA A 91 233.712 24.072 -17.392 1.00 1.71 C +ATOM 1289 O ALA A 91 232.910 23.278 -16.944 1.00 1.93 O +ATOM 1290 CB ALA A 91 233.877 26.410 -16.528 1.00 1.61 C +ATOM 1291 H ALA A 91 236.327 25.944 -17.118 1.00 1.28 H +ATOM 1292 HA ALA A 91 234.457 24.640 -15.460 1.00 1.72 H +ATOM 1293 HB1 ALA A 91 234.367 27.049 -15.808 1.00 1.91 H +ATOM 1294 HB2 ALA A 91 232.825 26.346 -16.293 1.00 1.85 H +ATOM 1295 HB3 ALA A 91 234.001 26.821 -17.518 1.00 1.92 H +ATOM 1296 N THR A 92 233.934 24.160 -18.675 1.00 1.66 N +ATOM 1297 CA THR A 92 233.202 23.271 -19.620 1.00 1.89 C +ATOM 1298 C THR A 92 233.827 21.876 -19.592 1.00 1.98 C +ATOM 1299 O THR A 92 233.141 20.878 -19.487 1.00 2.13 O +ATOM 1300 CB THR A 92 233.294 23.844 -21.036 1.00 1.93 C +ATOM 1301 OG1 THR A 92 232.972 25.226 -21.004 1.00 1.88 O +ATOM 1302 CG2 THR A 92 232.313 23.112 -21.953 1.00 2.24 C +ATOM 1303 H THR A 92 234.583 24.810 -19.017 1.00 1.52 H +ATOM 1304 HA THR A 92 232.165 23.208 -19.324 1.00 2.04 H +ATOM 1305 HB THR A 92 234.299 23.717 -21.410 1.00 1.85 H +ATOM 1306 HG1 THR A 92 233.435 25.659 -21.726 1.00 2.16 H +ATOM 1307 HG21 THR A 92 232.456 23.438 -22.972 1.00 2.46 H +ATOM 1308 HG22 THR A 92 231.303 23.332 -21.647 1.00 2.43 H +ATOM 1309 HG23 THR A 92 232.484 22.049 -21.889 1.00 2.71 H +ATOM 1310 N GLY A 93 235.126 21.796 -19.685 1.00 1.94 N +ATOM 1311 CA GLY A 93 235.794 20.465 -19.663 1.00 2.08 C +ATOM 1312 C GLY A 93 235.898 19.970 -18.221 1.00 1.89 C +ATOM 1313 O GLY A 93 236.833 20.280 -17.513 1.00 2.11 O +ATOM 1314 H GLY A 93 235.662 22.612 -19.768 1.00 1.83 H +ATOM 1315 HA2 GLY A 93 235.214 19.763 -20.244 1.00 2.22 H +ATOM 1316 HA3 GLY A 93 236.786 20.552 -20.081 1.00 2.44 H +ATOM 1317 N PHE A 94 234.945 19.196 -17.781 1.00 1.84 N +ATOM 1318 CA PHE A 94 234.991 18.679 -16.386 1.00 2.04 C +ATOM 1319 C PHE A 94 236.264 17.852 -16.195 1.00 2.21 C +ATOM 1320 O PHE A 94 236.727 17.190 -17.102 1.00 2.23 O +ATOM 1321 CB PHE A 94 233.761 17.804 -16.131 1.00 2.31 C +ATOM 1322 CG PHE A 94 232.512 18.601 -16.426 1.00 2.63 C +ATOM 1323 CD1 PHE A 94 231.991 18.630 -17.724 1.00 3.18 C +ATOM 1324 CD2 PHE A 94 231.877 19.314 -15.400 1.00 3.12 C +ATOM 1325 CE1 PHE A 94 230.836 19.371 -17.997 1.00 3.92 C +ATOM 1326 CE2 PHE A 94 230.722 20.056 -15.674 1.00 3.79 C +ATOM 1327 CZ PHE A 94 230.202 20.084 -16.973 1.00 4.10 C +ATOM 1328 H PHE A 94 234.200 18.952 -18.369 1.00 1.91 H +ATOM 1329 HA PHE A 94 234.992 19.509 -15.694 1.00 2.25 H +ATOM 1330 HB2 PHE A 94 233.797 16.938 -16.778 1.00 2.37 H +ATOM 1331 HB3 PHE A 94 233.749 17.486 -15.102 1.00 2.79 H +ATOM 1332 HD1 PHE A 94 232.481 18.081 -18.514 1.00 3.41 H +ATOM 1333 HD2 PHE A 94 232.278 19.290 -14.399 1.00 3.39 H +ATOM 1334 HE1 PHE A 94 230.432 19.392 -18.997 1.00 4.63 H +ATOM 1335 HE2 PHE A 94 230.231 20.604 -14.886 1.00 4.37 H +ATOM 1336 HZ PHE A 94 229.312 20.656 -17.184 1.00 4.79 H +ATOM 1337 N VAL A 95 236.836 17.884 -15.023 1.00 2.59 N +ATOM 1338 CA VAL A 95 238.080 17.099 -14.782 1.00 2.95 C +ATOM 1339 C VAL A 95 237.849 15.644 -15.206 1.00 2.86 C +ATOM 1340 O VAL A 95 237.236 14.871 -14.498 1.00 2.99 O +ATOM 1341 CB VAL A 95 238.446 17.162 -13.289 1.00 3.58 C +ATOM 1342 CG1 VAL A 95 239.190 18.468 -12.993 1.00 3.96 C +ATOM 1343 CG2 VAL A 95 237.166 17.111 -12.448 1.00 3.97 C +ATOM 1344 H VAL A 95 236.449 18.425 -14.305 1.00 2.77 H +ATOM 1345 HA VAL A 95 238.885 17.516 -15.371 1.00 3.02 H +ATOM 1346 HB VAL A 95 239.082 16.322 -13.034 1.00 3.93 H +ATOM 1347 HG11 VAL A 95 240.146 18.459 -13.496 1.00 4.22 H +ATOM 1348 HG12 VAL A 95 239.343 18.561 -11.931 1.00 4.12 H +ATOM 1349 HG13 VAL A 95 238.607 19.303 -13.345 1.00 4.30 H +ATOM 1350 HG21 VAL A 95 237.420 16.907 -11.419 1.00 4.20 H +ATOM 1351 HG22 VAL A 95 236.519 16.328 -12.819 1.00 4.20 H +ATOM 1352 HG23 VAL A 95 236.655 18.060 -12.512 1.00 4.33 H +ATOM 1353 N LYS A 96 238.335 15.267 -16.360 1.00 2.87 N +ATOM 1354 CA LYS A 96 238.143 13.864 -16.832 1.00 2.92 C +ATOM 1355 C LYS A 96 238.475 12.890 -15.697 1.00 3.33 C +ATOM 1356 O LYS A 96 239.099 13.249 -14.721 1.00 3.82 O +ATOM 1357 CB LYS A 96 239.066 13.593 -18.025 1.00 3.28 C +ATOM 1358 CG LYS A 96 238.538 12.412 -18.845 1.00 3.63 C +ATOM 1359 CD LYS A 96 239.408 12.233 -20.089 1.00 3.90 C +ATOM 1360 CE LYS A 96 238.928 11.013 -20.876 1.00 4.67 C +ATOM 1361 NZ LYS A 96 237.549 11.255 -21.384 1.00 5.01 N +ATOM 1362 H LYS A 96 238.825 15.908 -16.917 1.00 2.99 H +ATOM 1363 HA LYS A 96 237.115 13.726 -17.134 1.00 2.84 H +ATOM 1364 HB2 LYS A 96 239.105 14.473 -18.653 1.00 3.52 H +ATOM 1365 HB3 LYS A 96 240.062 13.368 -17.670 1.00 3.72 H +ATOM 1366 HG2 LYS A 96 238.570 11.511 -18.249 1.00 4.02 H +ATOM 1367 HG3 LYS A 96 237.521 12.609 -19.146 1.00 3.92 H +ATOM 1368 HD2 LYS A 96 239.334 13.115 -20.704 1.00 3.93 H +ATOM 1369 HD3 LYS A 96 240.436 12.086 -19.794 1.00 4.09 H +ATOM 1370 HE2 LYS A 96 239.587 10.837 -21.708 1.00 5.13 H +ATOM 1371 HE3 LYS A 96 238.927 10.148 -20.232 1.00 4.98 H +ATOM 1372 HZ1 LYS A 96 237.559 11.267 -22.422 1.00 5.45 H +ATOM 1373 HZ2 LYS A 96 237.203 12.173 -21.030 1.00 5.10 H +ATOM 1374 HZ3 LYS A 96 236.920 10.495 -21.055 1.00 5.14 H +ATOM 1375 N LYS A 97 238.052 11.660 -15.814 1.00 3.40 N +ATOM 1376 CA LYS A 97 238.337 10.665 -14.741 1.00 3.96 C +ATOM 1377 C LYS A 97 238.308 9.252 -15.331 1.00 4.01 C +ATOM 1378 O LYS A 97 237.257 8.697 -15.588 1.00 3.79 O +ATOM 1379 CB LYS A 97 237.269 10.789 -13.648 1.00 4.31 C +ATOM 1380 CG LYS A 97 235.912 11.096 -14.292 1.00 4.55 C +ATOM 1381 CD LYS A 97 234.791 10.816 -13.286 1.00 5.16 C +ATOM 1382 CE LYS A 97 234.943 11.728 -12.055 1.00 5.79 C +ATOM 1383 NZ LYS A 97 235.805 11.048 -11.045 1.00 6.31 N +ATOM 1384 H LYS A 97 237.543 11.391 -16.607 1.00 3.26 H +ATOM 1385 HA LYS A 97 239.312 10.857 -14.316 1.00 4.34 H +ATOM 1386 HB2 LYS A 97 237.207 9.864 -13.088 1.00 4.61 H +ATOM 1387 HB3 LYS A 97 237.533 11.595 -12.977 1.00 4.58 H +ATOM 1388 HG2 LYS A 97 235.881 12.132 -14.587 1.00 4.84 H +ATOM 1389 HG3 LYS A 97 235.773 10.473 -15.163 1.00 4.51 H +ATOM 1390 HD2 LYS A 97 233.837 11.002 -13.755 1.00 5.37 H +ATOM 1391 HD3 LYS A 97 234.837 9.786 -12.976 1.00 5.37 H +ATOM 1392 HE2 LYS A 97 235.399 12.666 -12.342 1.00 5.99 H +ATOM 1393 HE3 LYS A 97 233.969 11.921 -11.626 1.00 6.06 H +ATOM 1394 HZ1 LYS A 97 236.674 10.708 -11.503 1.00 6.41 H +ATOM 1395 HZ2 LYS A 97 235.290 10.242 -10.633 1.00 6.43 H +ATOM 1396 HZ3 LYS A 97 236.055 11.721 -10.293 1.00 6.79 H +ATOM 1397 N ASP A 98 239.455 8.671 -15.566 1.00 4.55 N +ATOM 1398 CA ASP A 98 239.500 7.297 -16.159 1.00 4.79 C +ATOM 1399 C ASP A 98 239.626 6.252 -15.049 1.00 5.00 C +ATOM 1400 O ASP A 98 240.626 6.177 -14.364 1.00 5.47 O +ATOM 1401 CB ASP A 98 240.702 7.195 -17.099 1.00 5.25 C +ATOM 1402 CG ASP A 98 240.574 5.938 -17.959 1.00 5.54 C +ATOM 1403 OD1 ASP A 98 240.152 4.924 -17.431 1.00 5.96 O +ATOM 1404 OD2 ASP A 98 240.906 6.011 -19.130 1.00 5.72 O +ATOM 1405 H ASP A 98 240.292 9.144 -15.364 1.00 4.93 H +ATOM 1406 HA ASP A 98 238.597 7.111 -16.722 1.00 4.75 H +ATOM 1407 HB2 ASP A 98 240.736 8.067 -17.737 1.00 5.37 H +ATOM 1408 HB3 ASP A 98 241.611 7.137 -16.517 1.00 5.64 H +ATOM 1409 N GLN A 99 238.620 5.437 -14.871 1.00 4.95 N +ATOM 1410 CA GLN A 99 238.686 4.391 -13.809 1.00 5.34 C +ATOM 1411 C GLN A 99 237.433 3.509 -13.882 1.00 5.40 C +ATOM 1412 O GLN A 99 237.467 2.342 -13.544 1.00 5.60 O +ATOM 1413 CB GLN A 99 238.755 5.067 -12.434 1.00 5.82 C +ATOM 1414 CG GLN A 99 237.765 6.236 -12.385 1.00 5.91 C +ATOM 1415 CD GLN A 99 237.520 6.640 -10.927 1.00 6.76 C +ATOM 1416 OE1 GLN A 99 236.540 6.241 -10.328 1.00 7.26 O +ATOM 1417 NE2 GLN A 99 238.375 7.416 -10.326 1.00 7.23 N +ATOM 1418 H GLN A 99 237.826 5.508 -15.439 1.00 4.87 H +ATOM 1419 HA GLN A 99 239.566 3.780 -13.956 1.00 5.61 H +ATOM 1420 HB2 GLN A 99 238.503 4.348 -11.666 1.00 6.24 H +ATOM 1421 HB3 GLN A 99 239.755 5.438 -12.264 1.00 6.08 H +ATOM 1422 HG2 GLN A 99 238.176 7.077 -12.932 1.00 5.69 H +ATOM 1423 HG3 GLN A 99 236.827 5.936 -12.833 1.00 6.00 H +ATOM 1424 HE21 GLN A 99 239.167 7.737 -10.805 1.00 7.07 H +ATOM 1425 HE22 GLN A 99 238.223 7.682 -9.393 1.00 7.91 H +ATOM 1426 N LEU A 100 236.329 4.067 -14.318 1.00 5.54 N +ATOM 1427 CA LEU A 100 235.053 3.286 -14.415 1.00 5.81 C +ATOM 1428 C LEU A 100 234.671 3.101 -15.884 1.00 5.81 C +ATOM 1429 O LEU A 100 235.096 3.845 -16.748 1.00 6.19 O +ATOM 1430 CB LEU A 100 233.929 4.057 -13.712 1.00 6.54 C +ATOM 1431 CG LEU A 100 234.192 4.128 -12.200 1.00 7.15 C +ATOM 1432 CD1 LEU A 100 233.235 5.146 -11.575 1.00 7.54 C +ATOM 1433 CD2 LEU A 100 233.972 2.747 -11.547 1.00 7.54 C +ATOM 1434 H LEU A 100 236.338 5.012 -14.579 1.00 5.67 H +ATOM 1435 HA LEU A 100 235.170 2.316 -13.954 1.00 5.86 H +ATOM 1436 HB2 LEU A 100 233.879 5.058 -14.114 1.00 6.74 H +ATOM 1437 HB3 LEU A 100 232.989 3.561 -13.892 1.00 6.77 H +ATOM 1438 HG LEU A 100 235.211 4.451 -12.030 1.00 7.43 H +ATOM 1439 HD11 LEU A 100 232.232 4.959 -11.931 1.00 7.75 H +ATOM 1440 HD12 LEU A 100 233.540 6.145 -11.859 1.00 7.83 H +ATOM 1441 HD13 LEU A 100 233.263 5.050 -10.501 1.00 7.62 H +ATOM 1442 HD21 LEU A 100 233.125 2.258 -12.000 1.00 7.75 H +ATOM 1443 HD22 LEU A 100 233.787 2.871 -10.488 1.00 7.64 H +ATOM 1444 HD23 LEU A 100 234.852 2.140 -11.681 1.00 7.83 H +ATOM 1445 N GLY A 101 233.864 2.108 -16.169 1.00 5.72 N +ATOM 1446 CA GLY A 101 233.424 1.846 -17.576 1.00 6.03 C +ATOM 1447 C GLY A 101 231.900 1.695 -17.603 1.00 6.35 C +ATOM 1448 O GLY A 101 231.300 1.523 -18.646 1.00 6.59 O +ATOM 1449 H GLY A 101 233.537 1.528 -15.448 1.00 5.68 H +ATOM 1450 HA2 GLY A 101 233.716 2.668 -18.216 1.00 6.26 H +ATOM 1451 HA3 GLY A 101 233.877 0.937 -17.932 1.00 6.11 H +ATOM 1452 N LYS A 102 231.273 1.759 -16.460 1.00 6.63 N +ATOM 1453 CA LYS A 102 229.791 1.622 -16.403 1.00 7.13 C +ATOM 1454 C LYS A 102 229.356 0.405 -17.225 1.00 7.38 C +ATOM 1455 O LYS A 102 229.090 0.504 -18.406 1.00 7.58 O +ATOM 1456 CB LYS A 102 229.129 2.885 -16.964 1.00 7.56 C +ATOM 1457 CG LYS A 102 227.659 2.932 -16.538 1.00 8.14 C +ATOM 1458 CD LYS A 102 227.036 4.258 -16.983 1.00 8.58 C +ATOM 1459 CE LYS A 102 225.597 4.340 -16.471 1.00 9.20 C +ATOM 1460 NZ LYS A 102 224.806 3.209 -17.029 1.00 9.81 N +ATOM 1461 H LYS A 102 231.780 1.896 -15.635 1.00 6.69 H +ATOM 1462 HA LYS A 102 229.492 1.485 -15.376 1.00 7.22 H +ATOM 1463 HB2 LYS A 102 229.642 3.755 -16.584 1.00 7.51 H +ATOM 1464 HB3 LYS A 102 229.189 2.872 -18.043 1.00 7.78 H +ATOM 1465 HG2 LYS A 102 227.126 2.111 -16.996 1.00 8.50 H +ATOM 1466 HG3 LYS A 102 227.592 2.849 -15.463 1.00 8.16 H +ATOM 1467 HD2 LYS A 102 227.611 5.079 -16.580 1.00 8.54 H +ATOM 1468 HD3 LYS A 102 227.035 4.310 -18.063 1.00 8.76 H +ATOM 1469 HE2 LYS A 102 225.596 4.283 -15.392 1.00 9.25 H +ATOM 1470 HE3 LYS A 102 225.156 5.275 -16.784 1.00 9.41 H +ATOM 1471 HZ1 LYS A 102 225.056 2.331 -16.531 1.00 10.04 H +ATOM 1472 HZ2 LYS A 102 225.021 3.107 -18.042 1.00 9.92 H +ATOM 1473 HZ3 LYS A 102 223.793 3.398 -16.909 1.00 10.10 H +ATOM 1474 N ASN A 103 229.282 -0.745 -16.609 1.00 7.62 N +ATOM 1475 CA ASN A 103 228.863 -1.973 -17.347 1.00 8.04 C +ATOM 1476 C ASN A 103 228.041 -2.863 -16.417 1.00 8.26 C +ATOM 1477 O ASN A 103 228.505 -3.879 -15.940 1.00 8.45 O +ATOM 1478 CB ASN A 103 230.108 -2.734 -17.808 1.00 8.10 C +ATOM 1479 CG ASN A 103 230.905 -1.867 -18.782 1.00 8.29 C +ATOM 1480 OD1 ASN A 103 230.363 -1.352 -19.739 1.00 8.55 O +ATOM 1481 ND2 ASN A 103 232.179 -1.679 -18.574 1.00 8.47 N +ATOM 1482 H ASN A 103 229.503 -0.802 -15.657 1.00 7.69 H +ATOM 1483 HA ASN A 103 228.265 -1.702 -18.206 1.00 8.40 H +ATOM 1484 HB2 ASN A 103 230.719 -2.971 -16.950 1.00 8.40 H +ATOM 1485 HB3 ASN A 103 229.811 -3.647 -18.299 1.00 8.03 H +ATOM 1486 HD21 ASN A 103 232.614 -2.090 -17.799 1.00 8.46 H +ATOM 1487 HD22 ASN A 103 232.700 -1.124 -19.192 1.00 8.79 H +ATOM 1488 N GLU A 104 226.820 -2.488 -16.145 1.00 8.47 N +ATOM 1489 CA GLU A 104 225.976 -3.314 -15.236 1.00 8.88 C +ATOM 1490 C GLU A 104 225.700 -4.672 -15.888 1.00 8.80 C +ATOM 1491 O GLU A 104 225.754 -5.695 -15.240 1.00 8.54 O +ATOM 1492 CB GLU A 104 224.660 -2.576 -14.939 1.00 9.35 C +ATOM 1493 CG GLU A 104 223.776 -2.498 -16.190 1.00 9.73 C +ATOM 1494 CD GLU A 104 224.539 -1.806 -17.321 1.00 10.26 C +ATOM 1495 OE1 GLU A 104 225.117 -0.762 -17.068 1.00 10.62 O +ATOM 1496 OE2 GLU A 104 224.534 -2.334 -18.422 1.00 10.50 O +ATOM 1497 H GLU A 104 226.462 -1.663 -16.531 1.00 8.51 H +ATOM 1498 HA GLU A 104 226.508 -3.471 -14.310 1.00 9.14 H +ATOM 1499 HB2 GLU A 104 224.126 -3.103 -14.165 1.00 9.44 H +ATOM 1500 HB3 GLU A 104 224.882 -1.576 -14.599 1.00 9.59 H +ATOM 1501 HG2 GLU A 104 223.484 -3.490 -16.498 1.00 9.84 H +ATOM 1502 HG3 GLU A 104 222.889 -1.924 -15.961 1.00 9.77 H +ATOM 1503 N GLU A 105 225.413 -4.684 -17.165 1.00 9.25 N +ATOM 1504 CA GLU A 105 225.136 -5.971 -17.881 1.00 9.39 C +ATOM 1505 C GLU A 105 224.555 -5.644 -19.268 1.00 9.66 C +ATOM 1506 O GLU A 105 223.521 -5.015 -19.384 1.00 9.84 O +ATOM 1507 CB GLU A 105 224.127 -6.843 -17.070 1.00 9.80 C +ATOM 1508 CG GLU A 105 224.818 -8.103 -16.517 1.00 10.32 C +ATOM 1509 CD GLU A 105 223.924 -8.764 -15.469 1.00 10.66 C +ATOM 1510 OE1 GLU A 105 223.524 -8.074 -14.547 1.00 10.87 O +ATOM 1511 OE2 GLU A 105 223.658 -9.947 -15.607 1.00 10.89 O +ATOM 1512 H GLU A 105 225.383 -3.842 -17.660 1.00 9.63 H +ATOM 1513 HA GLU A 105 226.068 -6.506 -18.011 1.00 9.25 H +ATOM 1514 HB2 GLU A 105 223.727 -6.270 -16.250 1.00 9.75 H +ATOM 1515 HB3 GLU A 105 223.310 -7.150 -17.708 1.00 10.03 H +ATOM 1516 HG2 GLU A 105 224.995 -8.797 -17.327 1.00 10.57 H +ATOM 1517 HG3 GLU A 105 225.760 -7.837 -16.069 1.00 10.43 H +ATOM 1518 N GLY A 106 225.205 -6.073 -20.313 1.00 9.89 N +ATOM 1519 CA GLY A 106 224.685 -5.797 -21.681 1.00 10.35 C +ATOM 1520 C GLY A 106 223.550 -6.778 -21.997 1.00 10.43 C +ATOM 1521 O GLY A 106 223.427 -7.263 -23.106 1.00 10.73 O +ATOM 1522 H GLY A 106 226.034 -6.585 -20.200 1.00 9.89 H +ATOM 1523 HA2 GLY A 106 224.314 -4.781 -21.726 1.00 10.65 H +ATOM 1524 HA3 GLY A 106 225.481 -5.926 -22.398 1.00 10.51 H +ATOM 1525 N ALA A 107 222.732 -7.079 -21.027 1.00 10.35 N +ATOM 1526 CA ALA A 107 221.614 -8.030 -21.256 1.00 10.57 C +ATOM 1527 C ALA A 107 222.151 -9.319 -21.889 1.00 10.53 C +ATOM 1528 O ALA A 107 221.702 -9.731 -22.936 1.00 10.82 O +ATOM 1529 CB ALA A 107 220.587 -7.390 -22.195 1.00 11.04 C +ATOM 1530 H ALA A 107 222.859 -6.684 -20.139 1.00 10.27 H +ATOM 1531 HA ALA A 107 221.144 -8.262 -20.313 1.00 10.65 H +ATOM 1532 HB1 ALA A 107 220.070 -6.594 -21.678 1.00 11.24 H +ATOM 1533 HB2 ALA A 107 219.876 -8.138 -22.508 1.00 11.22 H +ATOM 1534 HB3 ALA A 107 221.092 -6.986 -23.060 1.00 11.20 H +ATOM 1535 N PRO A 108 223.105 -9.952 -21.253 1.00 10.35 N +ATOM 1536 CA PRO A 108 223.712 -11.218 -21.759 1.00 10.46 C +ATOM 1537 C PRO A 108 222.823 -12.435 -21.468 1.00 10.47 C +ATOM 1538 O PRO A 108 223.219 -13.359 -20.786 1.00 10.45 O +ATOM 1539 CB PRO A 108 225.027 -11.302 -20.979 1.00 10.48 C +ATOM 1540 CG PRO A 108 224.713 -10.665 -19.666 1.00 10.43 C +ATOM 1541 CD PRO A 108 223.719 -9.538 -19.973 1.00 10.25 C +ATOM 1542 HA PRO A 108 223.918 -11.143 -22.814 1.00 10.72 H +ATOM 1543 HB2 PRO A 108 225.328 -12.333 -20.844 1.00 10.46 H +ATOM 1544 HB3 PRO A 108 225.800 -10.744 -21.485 1.00 10.75 H +ATOM 1545 HG2 PRO A 108 224.265 -11.392 -19.001 1.00 10.54 H +ATOM 1546 HG3 PRO A 108 225.606 -10.255 -19.222 1.00 10.59 H +ATOM 1547 HD2 PRO A 108 222.972 -9.464 -19.192 1.00 10.26 H +ATOM 1548 HD3 PRO A 108 224.239 -8.604 -20.091 1.00 10.24 H +ATOM 1549 N GLN A 109 221.618 -12.438 -21.971 1.00 10.69 N +ATOM 1550 CA GLN A 109 220.711 -13.593 -21.712 1.00 10.86 C +ATOM 1551 C GLN A 109 221.375 -14.888 -22.190 1.00 10.48 C +ATOM 1552 O GLN A 109 222.330 -15.358 -21.606 1.00 10.53 O +ATOM 1553 CB GLN A 109 219.395 -13.391 -22.464 1.00 11.07 C +ATOM 1554 CG GLN A 109 218.647 -12.200 -21.866 1.00 11.24 C +ATOM 1555 CD GLN A 109 217.326 -12.001 -22.609 1.00 11.64 C +ATOM 1556 OE1 GLN A 109 216.577 -12.939 -22.798 1.00 11.81 O +ATOM 1557 NE2 GLN A 109 217.004 -10.811 -23.040 1.00 12.00 N +ATOM 1558 H GLN A 109 221.309 -11.681 -22.512 1.00 10.87 H +ATOM 1559 HA GLN A 109 220.511 -13.663 -20.653 1.00 11.28 H +ATOM 1560 HB2 GLN A 109 219.603 -13.201 -23.507 1.00 11.11 H +ATOM 1561 HB3 GLN A 109 218.787 -14.280 -22.370 1.00 11.31 H +ATOM 1562 HG2 GLN A 109 218.446 -12.386 -20.821 1.00 11.29 H +ATOM 1563 HG3 GLN A 109 219.249 -11.311 -21.966 1.00 11.27 H +ATOM 1564 HE21 GLN A 109 217.607 -10.054 -22.887 1.00 12.01 H +ATOM 1565 HE22 GLN A 109 216.160 -10.673 -23.515 1.00 12.39 H +ATOM 1566 N GLU A 110 220.878 -15.469 -23.249 1.00 10.29 N +ATOM 1567 CA GLU A 110 221.488 -16.734 -23.756 1.00 10.06 C +ATOM 1568 C GLU A 110 220.873 -17.086 -25.115 1.00 10.19 C +ATOM 1569 O GLU A 110 221.412 -17.876 -25.863 1.00 10.41 O +ATOM 1570 CB GLU A 110 221.212 -17.867 -22.758 1.00 10.21 C +ATOM 1571 CG GLU A 110 221.979 -19.126 -23.177 1.00 10.04 C +ATOM 1572 CD GLU A 110 221.759 -20.229 -22.137 1.00 10.50 C +ATOM 1573 OE1 GLU A 110 220.617 -20.451 -21.772 1.00 10.75 O +ATOM 1574 OE2 GLU A 110 222.734 -20.833 -21.725 1.00 10.80 O +ATOM 1575 H GLU A 110 220.109 -15.076 -23.711 1.00 10.43 H +ATOM 1576 HA GLU A 110 222.555 -16.602 -23.864 1.00 9.91 H +ATOM 1577 HB2 GLU A 110 221.530 -17.565 -21.771 1.00 10.52 H +ATOM 1578 HB3 GLU A 110 220.152 -18.083 -22.744 1.00 10.38 H +ATOM 1579 HG2 GLU A 110 221.623 -19.464 -24.138 1.00 10.03 H +ATOM 1580 HG3 GLU A 110 223.032 -18.902 -23.243 1.00 9.86 H +ATOM 1581 N GLY A 111 219.749 -16.506 -25.438 1.00 10.23 N +ATOM 1582 CA GLY A 111 219.106 -16.813 -26.747 1.00 10.52 C +ATOM 1583 C GLY A 111 217.981 -15.811 -27.016 1.00 10.22 C +ATOM 1584 O GLY A 111 217.753 -14.896 -26.251 1.00 10.32 O +ATOM 1585 H GLY A 111 219.331 -15.871 -24.824 1.00 10.19 H +ATOM 1586 HA2 GLY A 111 219.847 -16.743 -27.534 1.00 10.91 H +ATOM 1587 HA3 GLY A 111 218.699 -17.815 -26.720 1.00 10.74 H +ATOM 1588 N ILE A 112 217.276 -15.977 -28.099 1.00 10.08 N +ATOM 1589 CA ILE A 112 216.163 -15.039 -28.422 1.00 10.05 C +ATOM 1590 C ILE A 112 214.934 -15.389 -27.573 1.00 9.95 C +ATOM 1591 O ILE A 112 214.213 -14.519 -27.129 1.00 10.04 O +ATOM 1592 CB ILE A 112 215.809 -15.134 -29.922 1.00 10.26 C +ATOM 1593 CG1 ILE A 112 215.858 -16.616 -30.389 1.00 10.38 C +ATOM 1594 CG2 ILE A 112 216.775 -14.268 -30.746 1.00 10.48 C +ATOM 1595 CD1 ILE A 112 217.265 -17.022 -30.865 1.00 10.70 C +ATOM 1596 H ILE A 112 217.473 -16.724 -28.699 1.00 10.16 H +ATOM 1597 HA ILE A 112 216.472 -14.030 -28.191 1.00 10.21 H +ATOM 1598 HB ILE A 112 214.808 -14.753 -30.068 1.00 10.47 H +ATOM 1599 HG12 ILE A 112 215.566 -17.260 -29.570 1.00 10.57 H +ATOM 1600 HG13 ILE A 112 215.162 -16.753 -31.207 1.00 10.32 H +ATOM 1601 HG21 ILE A 112 216.526 -13.226 -30.613 1.00 10.66 H +ATOM 1602 HG22 ILE A 112 216.688 -14.528 -31.790 1.00 10.59 H +ATOM 1603 HG23 ILE A 112 217.788 -14.442 -30.413 1.00 10.56 H +ATOM 1604 HD11 ILE A 112 218.017 -16.477 -30.317 1.00 11.05 H +ATOM 1605 HD12 ILE A 112 217.364 -16.802 -31.918 1.00 10.89 H +ATOM 1606 HD13 ILE A 112 217.406 -18.083 -30.710 1.00 10.61 H +ATOM 1607 N LEU A 113 214.689 -16.651 -27.353 1.00 9.98 N +ATOM 1608 CA LEU A 113 213.504 -17.053 -26.543 1.00 10.10 C +ATOM 1609 C LEU A 113 213.723 -16.642 -25.085 1.00 10.16 C +ATOM 1610 O LEU A 113 214.840 -16.456 -24.640 1.00 10.44 O +ATOM 1611 CB LEU A 113 213.314 -18.574 -26.607 1.00 10.47 C +ATOM 1612 CG LEU A 113 213.148 -19.027 -28.062 1.00 10.74 C +ATOM 1613 CD1 LEU A 113 213.002 -20.552 -28.093 1.00 10.93 C +ATOM 1614 CD2 LEU A 113 211.897 -18.373 -28.680 1.00 11.26 C +ATOM 1615 H LEU A 113 215.284 -17.338 -27.726 1.00 10.07 H +ATOM 1616 HA LEU A 113 212.624 -16.563 -26.923 1.00 10.12 H +ATOM 1617 HB2 LEU A 113 214.178 -19.063 -26.179 1.00 10.70 H +ATOM 1618 HB3 LEU A 113 212.437 -18.850 -26.045 1.00 10.56 H +ATOM 1619 HG LEU A 113 214.023 -18.740 -28.628 1.00 10.68 H +ATOM 1620 HD11 LEU A 113 212.724 -20.868 -29.088 1.00 11.01 H +ATOM 1621 HD12 LEU A 113 212.237 -20.854 -27.392 1.00 11.04 H +ATOM 1622 HD13 LEU A 113 213.941 -21.008 -27.818 1.00 11.09 H +ATOM 1623 HD21 LEU A 113 211.548 -18.968 -29.514 1.00 11.54 H +ATOM 1624 HD22 LEU A 113 212.146 -17.383 -29.032 1.00 11.47 H +ATOM 1625 HD23 LEU A 113 211.115 -18.305 -27.935 1.00 11.37 H +ATOM 1626 N GLU A 114 212.666 -16.497 -24.337 1.00 10.11 N +ATOM 1627 CA GLU A 114 212.809 -16.099 -22.908 1.00 10.38 C +ATOM 1628 C GLU A 114 213.757 -17.071 -22.194 1.00 9.94 C +ATOM 1629 O GLU A 114 214.069 -16.907 -21.031 1.00 10.16 O +ATOM 1630 CB GLU A 114 211.438 -16.134 -22.230 1.00 10.82 C +ATOM 1631 CG GLU A 114 210.553 -15.028 -22.812 1.00 11.27 C +ATOM 1632 CD GLU A 114 209.164 -15.090 -22.170 1.00 11.70 C +ATOM 1633 OE1 GLU A 114 209.080 -14.919 -20.965 1.00 11.75 O +ATOM 1634 OE2 GLU A 114 208.210 -15.310 -22.894 1.00 12.14 O +ATOM 1635 H GLU A 114 211.774 -16.652 -24.715 1.00 10.04 H +ATOM 1636 HA GLU A 114 213.207 -15.096 -22.850 1.00 10.78 H +ATOM 1637 HB2 GLU A 114 210.974 -17.093 -22.401 1.00 11.07 H +ATOM 1638 HB3 GLU A 114 211.559 -15.977 -21.169 1.00 10.82 H +ATOM 1639 HG2 GLU A 114 211.002 -14.064 -22.607 1.00 11.36 H +ATOM 1640 HG3 GLU A 114 210.463 -15.164 -23.878 1.00 11.43 H +ATOM 1641 N ASP A 115 214.206 -18.088 -22.880 1.00 9.54 N +ATOM 1642 CA ASP A 115 215.125 -19.076 -22.250 1.00 9.33 C +ATOM 1643 C ASP A 115 214.433 -19.734 -21.057 1.00 9.15 C +ATOM 1644 O ASP A 115 215.058 -20.054 -20.065 1.00 9.40 O +ATOM 1645 CB ASP A 115 216.404 -18.374 -21.782 1.00 9.74 C +ATOM 1646 CG ASP A 115 217.474 -19.422 -21.477 1.00 10.00 C +ATOM 1647 OD1 ASP A 115 217.776 -20.208 -22.362 1.00 10.21 O +ATOM 1648 OD2 ASP A 115 217.972 -19.423 -20.362 1.00 10.19 O +ATOM 1649 H ASP A 115 213.933 -18.205 -23.811 1.00 9.53 H +ATOM 1650 HA ASP A 115 215.380 -19.836 -22.973 1.00 9.28 H +ATOM 1651 HB2 ASP A 115 216.757 -17.713 -22.560 1.00 9.80 H +ATOM 1652 HB3 ASP A 115 216.203 -17.804 -20.890 1.00 10.04 H +ATOM 1653 N MET A 116 213.142 -19.944 -21.153 1.00 8.95 N +ATOM 1654 CA MET A 116 212.386 -20.594 -20.038 1.00 9.00 C +ATOM 1655 C MET A 116 211.477 -21.713 -20.586 1.00 8.93 C +ATOM 1656 O MET A 116 210.379 -21.906 -20.103 1.00 9.23 O +ATOM 1657 CB MET A 116 211.521 -19.534 -19.339 1.00 9.49 C +ATOM 1658 CG MET A 116 211.107 -20.025 -17.945 1.00 9.79 C +ATOM 1659 SD MET A 116 209.591 -19.176 -17.432 1.00 9.96 S +ATOM 1660 CE MET A 116 210.290 -17.512 -17.297 1.00 10.65 C +ATOM 1661 H MET A 116 212.668 -19.679 -21.967 1.00 8.94 H +ATOM 1662 HA MET A 116 213.073 -21.020 -19.321 1.00 9.00 H +ATOM 1663 HB2 MET A 116 212.085 -18.619 -19.244 1.00 9.64 H +ATOM 1664 HB3 MET A 116 210.636 -19.347 -19.927 1.00 9.73 H +ATOM 1665 HG2 MET A 116 210.927 -21.089 -17.970 1.00 9.93 H +ATOM 1666 HG3 MET A 116 211.895 -19.810 -17.237 1.00 10.02 H +ATOM 1667 HE1 MET A 116 210.526 -17.142 -18.284 1.00 10.82 H +ATOM 1668 HE2 MET A 116 211.190 -17.546 -16.704 1.00 10.91 H +ATOM 1669 HE3 MET A 116 209.573 -16.857 -16.822 1.00 10.87 H +ATOM 1670 N PRO A 117 211.925 -22.460 -21.573 1.00 8.74 N +ATOM 1671 CA PRO A 117 211.121 -23.582 -22.150 1.00 8.79 C +ATOM 1672 C PRO A 117 211.034 -24.756 -21.170 1.00 8.92 C +ATOM 1673 O PRO A 117 210.263 -25.675 -21.352 1.00 9.07 O +ATOM 1674 CB PRO A 117 211.910 -23.984 -23.406 1.00 8.81 C +ATOM 1675 CG PRO A 117 213.320 -23.610 -23.089 1.00 8.82 C +ATOM 1676 CD PRO A 117 213.231 -22.331 -22.255 1.00 8.70 C +ATOM 1677 HA PRO A 117 210.135 -23.245 -22.424 1.00 9.00 H +ATOM 1678 HB2 PRO A 117 211.824 -25.049 -23.591 1.00 8.85 H +ATOM 1679 HB3 PRO A 117 211.563 -23.426 -24.263 1.00 9.02 H +ATOM 1680 HG2 PRO A 117 213.795 -24.401 -22.515 1.00 8.86 H +ATOM 1681 HG3 PRO A 117 213.875 -23.421 -23.995 1.00 9.08 H +ATOM 1682 HD2 PRO A 117 214.043 -22.283 -21.537 1.00 8.72 H +ATOM 1683 HD3 PRO A 117 213.232 -21.467 -22.901 1.00 8.81 H +ATOM 1684 N VAL A 118 211.835 -24.727 -20.138 1.00 9.10 N +ATOM 1685 CA VAL A 118 211.826 -25.836 -19.146 1.00 9.48 C +ATOM 1686 C VAL A 118 210.409 -26.046 -18.610 1.00 9.26 C +ATOM 1687 O VAL A 118 209.719 -25.108 -18.259 1.00 9.38 O +ATOM 1688 CB VAL A 118 212.761 -25.483 -17.990 1.00 10.05 C +ATOM 1689 CG1 VAL A 118 212.196 -24.286 -17.220 1.00 10.23 C +ATOM 1690 CG2 VAL A 118 212.880 -26.682 -17.047 1.00 10.62 C +ATOM 1691 H VAL A 118 212.454 -23.975 -20.022 1.00 9.15 H +ATOM 1692 HA VAL A 118 212.173 -26.742 -19.621 1.00 9.74 H +ATOM 1693 HB VAL A 118 213.737 -25.230 -18.379 1.00 10.17 H +ATOM 1694 HG11 VAL A 118 211.879 -23.527 -17.919 1.00 10.23 H +ATOM 1695 HG12 VAL A 118 212.957 -23.883 -16.570 1.00 10.44 H +ATOM 1696 HG13 VAL A 118 211.351 -24.607 -16.629 1.00 10.38 H +ATOM 1697 HG21 VAL A 118 211.942 -26.826 -16.533 1.00 10.90 H +ATOM 1698 HG22 VAL A 118 213.662 -26.493 -16.325 1.00 10.73 H +ATOM 1699 HG23 VAL A 118 213.121 -27.568 -17.617 1.00 10.83 H +ATOM 1700 N ASP A 119 209.973 -27.277 -18.540 1.00 9.13 N +ATOM 1701 CA ASP A 119 208.599 -27.571 -18.026 1.00 9.08 C +ATOM 1702 C ASP A 119 208.695 -27.974 -16.540 1.00 8.95 C +ATOM 1703 O ASP A 119 209.448 -28.865 -16.200 1.00 9.03 O +ATOM 1704 CB ASP A 119 208.009 -28.737 -18.824 1.00 9.13 C +ATOM 1705 CG ASP A 119 208.118 -28.436 -20.320 1.00 9.37 C +ATOM 1706 OD1 ASP A 119 207.583 -27.424 -20.741 1.00 9.48 O +ATOM 1707 OD2 ASP A 119 208.735 -29.223 -21.020 1.00 9.67 O +ATOM 1708 H ASP A 119 210.554 -28.014 -18.824 1.00 9.18 H +ATOM 1709 HA ASP A 119 207.976 -26.701 -18.150 1.00 9.36 H +ATOM 1710 HB2 ASP A 119 208.557 -29.642 -18.596 1.00 9.10 H +ATOM 1711 HB3 ASP A 119 206.970 -28.869 -18.558 1.00 9.32 H +ATOM 1712 N PRO A 120 207.954 -27.342 -15.652 1.00 9.01 N +ATOM 1713 CA PRO A 120 208.007 -27.684 -14.200 1.00 9.18 C +ATOM 1714 C PRO A 120 207.283 -29.002 -13.892 1.00 9.06 C +ATOM 1715 O PRO A 120 207.390 -29.542 -12.810 1.00 9.22 O +ATOM 1716 CB PRO A 120 207.312 -26.496 -13.522 1.00 9.52 C +ATOM 1717 CG PRO A 120 206.353 -25.980 -14.544 1.00 9.55 C +ATOM 1718 CD PRO A 120 206.991 -26.254 -15.912 1.00 9.20 C +ATOM 1719 HA PRO A 120 209.033 -27.738 -13.869 1.00 9.39 H +ATOM 1720 HB2 PRO A 120 206.788 -26.817 -12.630 1.00 9.54 H +ATOM 1721 HB3 PRO A 120 208.036 -25.730 -13.277 1.00 9.90 H +ATOM 1722 HG2 PRO A 120 205.407 -26.505 -14.459 1.00 9.73 H +ATOM 1723 HG3 PRO A 120 206.199 -24.918 -14.418 1.00 9.84 H +ATOM 1724 HD2 PRO A 120 206.238 -26.573 -16.623 1.00 9.24 H +ATOM 1725 HD3 PRO A 120 207.512 -25.377 -16.273 1.00 9.28 H +ATOM 1726 N ASP A 121 206.543 -29.514 -14.833 1.00 8.99 N +ATOM 1727 CA ASP A 121 205.807 -30.786 -14.594 1.00 9.03 C +ATOM 1728 C ASP A 121 206.797 -31.927 -14.356 1.00 9.16 C +ATOM 1729 O ASP A 121 206.559 -32.803 -13.549 1.00 9.24 O +ATOM 1730 CB ASP A 121 204.940 -31.106 -15.813 1.00 9.32 C +ATOM 1731 CG ASP A 121 205.814 -31.154 -17.071 1.00 9.71 C +ATOM 1732 OD1 ASP A 121 206.981 -30.816 -16.974 1.00 10.10 O +ATOM 1733 OD2 ASP A 121 205.297 -31.522 -18.113 1.00 9.83 O +ATOM 1734 H ASP A 121 206.466 -29.058 -15.698 1.00 9.04 H +ATOM 1735 HA ASP A 121 205.175 -30.677 -13.725 1.00 9.01 H +ATOM 1736 HB2 ASP A 121 204.461 -32.067 -15.671 1.00 9.44 H +ATOM 1737 HB3 ASP A 121 204.186 -30.342 -15.931 1.00 9.41 H +ATOM 1738 N ASN A 122 207.903 -31.927 -15.046 1.00 9.45 N +ATOM 1739 CA ASN A 122 208.898 -33.018 -14.848 1.00 9.87 C +ATOM 1740 C ASN A 122 210.200 -32.673 -15.580 1.00 10.05 C +ATOM 1741 O ASN A 122 210.914 -33.542 -16.036 1.00 10.41 O +ATOM 1742 CB ASN A 122 208.333 -34.329 -15.401 1.00 10.31 C +ATOM 1743 CG ASN A 122 207.895 -34.124 -16.850 1.00 10.57 C +ATOM 1744 OD1 ASN A 122 207.381 -35.030 -17.477 1.00 10.54 O +ATOM 1745 ND2 ASN A 122 208.076 -32.962 -17.414 1.00 11.06 N +ATOM 1746 H ASN A 122 208.080 -31.211 -15.692 1.00 9.56 H +ATOM 1747 HA ASN A 122 209.101 -33.130 -13.794 1.00 10.02 H +ATOM 1748 HB2 ASN A 122 209.094 -35.094 -15.361 1.00 10.28 H +ATOM 1749 HB3 ASN A 122 207.485 -34.635 -14.810 1.00 10.72 H +ATOM 1750 HD21 ASN A 122 208.492 -32.233 -16.908 1.00 11.24 H +ATOM 1751 HD22 ASN A 122 207.796 -32.818 -18.341 1.00 11.38 H +ATOM 1752 N GLU A 123 210.509 -31.410 -15.694 1.00 10.03 N +ATOM 1753 CA GLU A 123 211.762 -30.999 -16.395 1.00 10.47 C +ATOM 1754 C GLU A 123 211.656 -31.340 -17.884 1.00 10.80 C +ATOM 1755 O GLU A 123 211.865 -30.502 -18.740 1.00 11.19 O +ATOM 1756 CB GLU A 123 212.967 -31.732 -15.772 1.00 10.42 C +ATOM 1757 CG GLU A 123 214.248 -30.919 -15.991 1.00 10.81 C +ATOM 1758 CD GLU A 123 214.545 -30.838 -17.488 1.00 11.11 C +ATOM 1759 OE1 GLU A 123 214.434 -31.856 -18.149 1.00 11.13 O +ATOM 1760 OE2 GLU A 123 214.881 -29.757 -17.948 1.00 11.51 O +ATOM 1761 H GLU A 123 209.914 -30.727 -15.318 1.00 9.88 H +ATOM 1762 HA GLU A 123 211.892 -29.931 -16.286 1.00 10.85 H +ATOM 1763 HB2 GLU A 123 212.799 -31.856 -14.711 1.00 10.21 H +ATOM 1764 HB3 GLU A 123 213.082 -32.704 -16.230 1.00 10.53 H +ATOM 1765 HG2 GLU A 123 214.118 -29.920 -15.593 1.00 10.92 H +ATOM 1766 HG3 GLU A 123 215.073 -31.404 -15.491 1.00 10.98 H +ATOM 1767 N ALA A 124 211.332 -32.565 -18.201 1.00 10.87 N +ATOM 1768 CA ALA A 124 211.208 -32.963 -19.633 1.00 11.45 C +ATOM 1769 C ALA A 124 210.294 -34.185 -19.737 1.00 11.44 C +ATOM 1770 O ALA A 124 209.293 -34.278 -19.057 1.00 11.63 O +ATOM 1771 CB ALA A 124 212.592 -33.305 -20.194 1.00 11.92 C +ATOM 1772 H ALA A 124 211.169 -33.225 -17.496 1.00 10.70 H +ATOM 1773 HA ALA A 124 210.780 -32.147 -20.199 1.00 11.76 H +ATOM 1774 HB1 ALA A 124 212.502 -33.561 -21.241 1.00 12.17 H +ATOM 1775 HB2 ALA A 124 213.006 -34.144 -19.649 1.00 12.11 H +ATOM 1776 HB3 ALA A 124 213.244 -32.451 -20.089 1.00 11.99 H +ATOM 1777 N TYR A 125 210.625 -35.126 -20.578 1.00 11.45 N +ATOM 1778 CA TYR A 125 209.764 -36.334 -20.708 1.00 11.70 C +ATOM 1779 C TYR A 125 209.556 -36.947 -19.324 1.00 11.82 C +ATOM 1780 O TYR A 125 208.490 -36.856 -18.750 1.00 11.87 O +ATOM 1781 CB TYR A 125 210.456 -37.354 -21.616 1.00 12.08 C +ATOM 1782 CG TYR A 125 210.617 -36.770 -22.999 1.00 11.99 C +ATOM 1783 CD1 TYR A 125 211.704 -35.934 -23.285 1.00 12.11 C +ATOM 1784 CD2 TYR A 125 209.681 -37.068 -23.998 1.00 12.02 C +ATOM 1785 CE1 TYR A 125 211.853 -35.395 -24.567 1.00 12.26 C +ATOM 1786 CE2 TYR A 125 209.832 -36.529 -25.282 1.00 12.16 C +ATOM 1787 CZ TYR A 125 210.917 -35.693 -25.567 1.00 12.28 C +ATOM 1788 OH TYR A 125 211.065 -35.162 -26.832 1.00 12.63 O +ATOM 1789 H TYR A 125 211.438 -35.040 -21.120 1.00 11.44 H +ATOM 1790 HA TYR A 125 208.810 -36.057 -21.131 1.00 11.74 H +ATOM 1791 HB2 TYR A 125 211.428 -37.595 -21.209 1.00 12.29 H +ATOM 1792 HB3 TYR A 125 209.858 -38.250 -21.670 1.00 12.42 H +ATOM 1793 HD1 TYR A 125 212.426 -35.699 -22.516 1.00 12.26 H +ATOM 1794 HD2 TYR A 125 208.843 -37.716 -23.776 1.00 12.10 H +ATOM 1795 HE1 TYR A 125 212.691 -34.751 -24.786 1.00 12.52 H +ATOM 1796 HE2 TYR A 125 209.113 -36.757 -26.053 1.00 12.34 H +ATOM 1797 HH TYR A 125 211.980 -34.887 -26.935 1.00 12.87 H +ATOM 1798 N GLU A 126 210.573 -37.561 -18.778 1.00 12.06 N +ATOM 1799 CA GLU A 126 210.447 -38.174 -17.420 1.00 12.38 C +ATOM 1800 C GLU A 126 211.813 -38.164 -16.735 1.00 12.74 C +ATOM 1801 O GLU A 126 212.571 -39.109 -16.834 1.00 12.99 O +ATOM 1802 CB GLU A 126 209.962 -39.626 -17.529 1.00 12.49 C +ATOM 1803 CG GLU A 126 208.506 -39.667 -17.996 1.00 12.83 C +ATOM 1804 CD GLU A 126 208.040 -41.120 -18.069 1.00 13.31 C +ATOM 1805 OE1 GLU A 126 208.830 -41.992 -17.743 1.00 13.68 O +ATOM 1806 OE2 GLU A 126 206.900 -41.335 -18.449 1.00 13.46 O +ATOM 1807 H GLU A 126 211.428 -37.610 -19.257 1.00 12.16 H +ATOM 1808 HA GLU A 126 209.748 -37.603 -16.826 1.00 12.50 H +ATOM 1809 HB2 GLU A 126 210.583 -40.155 -18.238 1.00 12.39 H +ATOM 1810 HB3 GLU A 126 210.040 -40.100 -16.563 1.00 12.63 H +ATOM 1811 HG2 GLU A 126 207.888 -39.122 -17.298 1.00 12.89 H +ATOM 1812 HG3 GLU A 126 208.426 -39.221 -18.973 1.00 12.87 H +ATOM 1813 N MET A 127 212.140 -37.111 -16.031 1.00 12.95 N +ATOM 1814 CA MET A 127 213.462 -37.068 -15.339 1.00 13.47 C +ATOM 1815 C MET A 127 214.554 -37.380 -16.385 1.00 13.66 C +ATOM 1816 O MET A 127 214.261 -37.444 -17.565 1.00 13.92 O +ATOM 1817 CB MET A 127 213.455 -38.108 -14.189 1.00 13.87 C +ATOM 1818 CG MET A 127 212.016 -38.368 -13.711 1.00 14.26 C +ATOM 1819 SD MET A 127 212.047 -38.942 -11.993 1.00 14.67 S +ATOM 1820 CE MET A 127 211.834 -37.329 -11.203 1.00 15.18 C +ATOM 1821 H MET A 127 211.522 -36.357 -15.953 1.00 12.87 H +ATOM 1822 HA MET A 127 213.623 -36.078 -14.935 1.00 13.60 H +ATOM 1823 HB2 MET A 127 213.887 -39.037 -14.532 1.00 13.94 H +ATOM 1824 HB3 MET A 127 214.027 -37.727 -13.355 1.00 13.98 H +ATOM 1825 HG2 MET A 127 211.441 -37.453 -13.769 1.00 14.44 H +ATOM 1826 HG3 MET A 127 211.558 -39.126 -14.334 1.00 14.30 H +ATOM 1827 HE1 MET A 127 212.509 -36.615 -11.655 1.00 15.30 H +ATOM 1828 HE2 MET A 127 212.051 -37.411 -10.151 1.00 15.24 H +ATOM 1829 HE3 MET A 127 210.812 -36.997 -11.332 1.00 15.46 H +ATOM 1830 N PRO A 128 215.795 -37.574 -15.991 1.00 13.68 N +ATOM 1831 CA PRO A 128 216.889 -37.878 -16.964 1.00 14.01 C +ATOM 1832 C PRO A 128 216.546 -39.075 -17.859 1.00 14.23 C +ATOM 1833 O PRO A 128 215.658 -39.847 -17.562 1.00 14.60 O +ATOM 1834 CB PRO A 128 218.109 -38.164 -16.075 1.00 14.09 C +ATOM 1835 CG PRO A 128 217.820 -37.447 -14.796 1.00 13.89 C +ATOM 1836 CD PRO A 128 216.307 -37.529 -14.608 1.00 13.58 C +ATOM 1837 HA PRO A 128 217.085 -37.012 -17.576 1.00 14.21 H +ATOM 1838 HB2 PRO A 128 218.208 -39.229 -15.897 1.00 14.21 H +ATOM 1839 HB3 PRO A 128 219.010 -37.773 -16.526 1.00 14.30 H +ATOM 1840 HG2 PRO A 128 218.334 -37.928 -13.974 1.00 14.07 H +ATOM 1841 HG3 PRO A 128 218.122 -36.413 -14.873 1.00 13.97 H +ATOM 1842 HD2 PRO A 128 216.054 -38.430 -14.071 1.00 13.56 H +ATOM 1843 HD3 PRO A 128 215.938 -36.654 -14.097 1.00 13.50 H +ATOM 1844 N SER A 129 217.220 -39.212 -18.966 1.00 14.15 N +ATOM 1845 CA SER A 129 216.913 -40.337 -19.897 1.00 14.52 C +ATOM 1846 C SER A 129 217.059 -41.683 -19.182 1.00 14.61 C +ATOM 1847 O SER A 129 216.243 -42.564 -19.353 1.00 14.73 O +ATOM 1848 CB SER A 129 217.881 -40.291 -21.078 1.00 14.64 C +ATOM 1849 OG SER A 129 219.215 -40.393 -20.598 1.00 14.80 O +ATOM 1850 H SER A 129 217.916 -38.564 -19.199 1.00 13.95 H +ATOM 1851 HA SER A 129 215.903 -40.236 -20.262 1.00 14.81 H +ATOM 1852 HB2 SER A 129 217.680 -41.113 -21.744 1.00 14.87 H +ATOM 1853 HB3 SER A 129 217.751 -39.358 -21.610 1.00 14.55 H +ATOM 1854 HG SER A 129 219.400 -41.321 -20.427 1.00 14.78 H +ATOM 1855 N GLU A 130 218.090 -41.845 -18.384 1.00 14.69 N +ATOM 1856 CA GLU A 130 218.311 -43.138 -17.652 1.00 14.92 C +ATOM 1857 C GLU A 130 217.871 -44.329 -18.514 1.00 15.03 C +ATOM 1858 O GLU A 130 217.932 -44.283 -19.727 1.00 15.30 O +ATOM 1859 CB GLU A 130 217.541 -43.142 -16.319 1.00 14.96 C +ATOM 1860 CG GLU A 130 216.025 -43.059 -16.552 1.00 15.13 C +ATOM 1861 CD GLU A 130 215.299 -43.191 -15.210 1.00 15.41 C +ATOM 1862 OE1 GLU A 130 215.958 -43.482 -14.227 1.00 15.64 O +ATOM 1863 OE2 GLU A 130 214.095 -42.997 -15.190 1.00 15.53 O +ATOM 1864 H GLU A 130 218.730 -41.113 -18.271 1.00 14.69 H +ATOM 1865 HA GLU A 130 219.366 -43.237 -17.443 1.00 15.15 H +ATOM 1866 HB2 GLU A 130 217.765 -44.049 -15.782 1.00 15.09 H +ATOM 1867 HB3 GLU A 130 217.854 -42.293 -15.727 1.00 14.91 H +ATOM 1868 HG2 GLU A 130 215.781 -42.108 -16.994 1.00 15.05 H +ATOM 1869 HG3 GLU A 130 215.710 -43.851 -17.205 1.00 15.31 H +ATOM 1870 N GLU A 131 217.419 -45.395 -17.896 1.00 14.94 N +ATOM 1871 CA GLU A 131 216.959 -46.593 -18.673 1.00 15.19 C +ATOM 1872 C GLU A 131 215.631 -47.085 -18.097 1.00 14.97 C +ATOM 1873 O GLU A 131 215.425 -48.267 -17.903 1.00 14.83 O +ATOM 1874 CB GLU A 131 218.007 -47.703 -18.565 1.00 15.40 C +ATOM 1875 CG GLU A 131 219.275 -47.283 -19.309 1.00 15.63 C +ATOM 1876 CD GLU A 131 220.349 -48.358 -19.132 1.00 15.84 C +ATOM 1877 OE1 GLU A 131 220.071 -49.342 -18.464 1.00 16.06 O +ATOM 1878 OE2 GLU A 131 221.430 -48.180 -19.667 1.00 15.91 O +ATOM 1879 H GLU A 131 217.372 -45.406 -16.917 1.00 14.80 H +ATOM 1880 HA GLU A 131 216.819 -46.330 -19.712 1.00 15.53 H +ATOM 1881 HB2 GLU A 131 218.242 -47.877 -17.526 1.00 15.57 H +ATOM 1882 HB3 GLU A 131 217.619 -48.608 -19.003 1.00 15.39 H +ATOM 1883 HG2 GLU A 131 219.052 -47.163 -20.359 1.00 15.73 H +ATOM 1884 HG3 GLU A 131 219.636 -46.348 -18.909 1.00 15.70 H +ATOM 1885 N GLY A 132 214.731 -46.185 -17.818 1.00 15.06 N +ATOM 1886 CA GLY A 132 213.413 -46.594 -17.249 1.00 14.96 C +ATOM 1887 C GLY A 132 213.602 -47.009 -15.788 1.00 14.88 C +ATOM 1888 O GLY A 132 212.973 -46.476 -14.899 1.00 14.98 O +ATOM 1889 H GLY A 132 214.924 -45.240 -17.981 1.00 15.29 H +ATOM 1890 HA2 GLY A 132 212.720 -45.763 -17.303 1.00 14.94 H +ATOM 1891 HA3 GLY A 132 213.019 -47.428 -17.810 1.00 15.09 H +ATOM 1892 N TYR A 133 214.469 -47.955 -15.542 1.00 14.85 N +ATOM 1893 CA TYR A 133 214.710 -48.416 -14.142 1.00 14.90 C +ATOM 1894 C TYR A 133 213.380 -48.884 -13.526 1.00 14.86 C +ATOM 1895 O TYR A 133 213.111 -50.066 -13.446 1.00 15.29 O +ATOM 1896 CB TYR A 133 215.297 -47.256 -13.320 1.00 15.17 C +ATOM 1897 CG TYR A 133 216.028 -47.799 -12.107 1.00 15.60 C +ATOM 1898 CD1 TYR A 133 215.308 -48.241 -10.993 1.00 15.66 C +ATOM 1899 CD2 TYR A 133 217.428 -47.862 -12.104 1.00 16.11 C +ATOM 1900 CE1 TYR A 133 215.985 -48.743 -9.875 1.00 16.20 C +ATOM 1901 CE2 TYR A 133 218.107 -48.364 -10.987 1.00 16.64 C +ATOM 1902 CZ TYR A 133 217.384 -48.804 -9.873 1.00 16.68 C +ATOM 1903 OH TYR A 133 218.051 -49.302 -8.770 1.00 17.32 O +ATOM 1904 H TYR A 133 214.964 -48.368 -16.285 1.00 14.88 H +ATOM 1905 HA TYR A 133 215.409 -49.241 -14.156 1.00 14.95 H +ATOM 1906 HB2 TYR A 133 215.991 -46.702 -13.938 1.00 15.47 H +ATOM 1907 HB3 TYR A 133 214.504 -46.599 -12.998 1.00 14.91 H +ATOM 1908 HD1 TYR A 133 214.230 -48.193 -10.996 1.00 15.38 H +ATOM 1909 HD2 TYR A 133 217.984 -47.521 -12.965 1.00 16.21 H +ATOM 1910 HE1 TYR A 133 215.429 -49.083 -9.014 1.00 16.36 H +ATOM 1911 HE2 TYR A 133 219.187 -48.410 -10.985 1.00 17.12 H +ATOM 1912 HH TYR A 133 217.950 -50.259 -8.770 1.00 17.39 H +ATOM 1913 N GLN A 134 212.542 -47.973 -13.107 1.00 14.50 N +ATOM 1914 CA GLN A 134 211.229 -48.375 -12.520 1.00 14.59 C +ATOM 1915 C GLN A 134 210.224 -47.228 -12.684 1.00 14.69 C +ATOM 1916 O GLN A 134 210.475 -46.105 -12.292 1.00 14.94 O +ATOM 1917 CB GLN A 134 211.400 -48.720 -11.036 1.00 14.70 C +ATOM 1918 CG GLN A 134 211.647 -47.443 -10.221 1.00 15.01 C +ATOM 1919 CD GLN A 134 212.188 -47.818 -8.838 1.00 15.33 C +ATOM 1920 OE1 GLN A 134 213.224 -47.335 -8.426 1.00 15.39 O +ATOM 1921 NE2 GLN A 134 211.525 -48.667 -8.099 1.00 15.71 N +ATOM 1922 H GLN A 134 212.770 -47.025 -13.189 1.00 14.26 H +ATOM 1923 HA GLN A 134 210.858 -49.244 -13.044 1.00 14.70 H +ATOM 1924 HB2 GLN A 134 210.502 -49.204 -10.679 1.00 14.59 H +ATOM 1925 HB3 GLN A 134 212.236 -49.391 -10.917 1.00 14.84 H +ATOM 1926 HG2 GLN A 134 212.364 -46.818 -10.733 1.00 15.03 H +ATOM 1927 HG3 GLN A 134 210.716 -46.905 -10.103 1.00 15.17 H +ATOM 1928 HE21 GLN A 134 210.691 -49.056 -8.430 1.00 15.77 H +ATOM 1929 HE22 GLN A 134 211.862 -48.917 -7.216 1.00 16.02 H +ATOM 1930 N ASP A 135 209.093 -47.510 -13.259 1.00 14.65 N +ATOM 1931 CA ASP A 135 208.060 -46.452 -13.454 1.00 14.91 C +ATOM 1932 C ASP A 135 206.722 -47.122 -13.753 1.00 14.69 C +ATOM 1933 O ASP A 135 205.672 -46.522 -13.635 1.00 14.51 O +ATOM 1934 CB ASP A 135 208.456 -45.553 -14.628 1.00 15.30 C +ATOM 1935 CG ASP A 135 207.475 -44.384 -14.728 1.00 15.81 C +ATOM 1936 OD1 ASP A 135 207.278 -43.713 -13.726 1.00 16.16 O +ATOM 1937 OD2 ASP A 135 206.936 -44.180 -15.804 1.00 15.98 O +ATOM 1938 H ASP A 135 208.918 -48.426 -13.565 1.00 14.56 H +ATOM 1939 HA ASP A 135 207.973 -45.859 -12.555 1.00 15.17 H +ATOM 1940 HB2 ASP A 135 209.455 -45.172 -14.470 1.00 15.37 H +ATOM 1941 HB3 ASP A 135 208.428 -46.124 -15.544 1.00 15.29 H +ATOM 1942 N TYR A 136 206.763 -48.370 -14.140 1.00 14.86 N +ATOM 1943 CA TYR A 136 205.514 -49.124 -14.459 1.00 14.86 C +ATOM 1944 C TYR A 136 205.556 -50.487 -13.759 1.00 14.76 C +ATOM 1945 O TYR A 136 206.481 -51.258 -13.919 1.00 14.90 O +ATOM 1946 CB TYR A 136 205.419 -49.308 -15.980 1.00 15.22 C +ATOM 1947 CG TYR A 136 206.802 -49.525 -16.555 1.00 15.55 C +ATOM 1948 CD1 TYR A 136 207.349 -50.810 -16.607 1.00 15.96 C +ATOM 1949 CD2 TYR A 136 207.534 -48.433 -17.037 1.00 15.64 C +ATOM 1950 CE1 TYR A 136 208.630 -51.007 -17.143 1.00 16.44 C +ATOM 1951 CE2 TYR A 136 208.814 -48.627 -17.571 1.00 16.13 C +ATOM 1952 CZ TYR A 136 209.363 -49.915 -17.624 1.00 16.52 C +ATOM 1953 OH TYR A 136 210.622 -50.108 -18.153 1.00 17.15 O +ATOM 1954 H TYR A 136 207.630 -48.820 -14.222 1.00 15.12 H +ATOM 1955 HA TYR A 136 204.649 -48.575 -14.110 1.00 14.84 H +ATOM 1956 HB2 TYR A 136 204.795 -50.163 -16.207 1.00 15.33 H +ATOM 1957 HB3 TYR A 136 204.984 -48.427 -16.420 1.00 15.28 H +ATOM 1958 HD1 TYR A 136 206.788 -51.648 -16.235 1.00 16.02 H +ATOM 1959 HD2 TYR A 136 207.110 -47.441 -16.997 1.00 15.45 H +ATOM 1960 HE1 TYR A 136 209.053 -52.001 -17.186 1.00 16.86 H +ATOM 1961 HE2 TYR A 136 209.380 -47.785 -17.942 1.00 16.32 H +ATOM 1962 HH TYR A 136 211.173 -50.500 -17.472 1.00 17.22 H +ATOM 1963 N GLU A 137 204.560 -50.776 -12.966 1.00 14.68 N +ATOM 1964 CA GLU A 137 204.521 -52.071 -12.226 1.00 14.75 C +ATOM 1965 C GLU A 137 204.582 -53.261 -13.210 1.00 14.91 C +ATOM 1966 O GLU A 137 205.514 -54.042 -13.173 1.00 15.12 O +ATOM 1967 CB GLU A 137 203.222 -52.128 -11.381 1.00 14.78 C +ATOM 1968 CG GLU A 137 203.508 -51.721 -9.927 1.00 14.97 C +ATOM 1969 CD GLU A 137 204.174 -52.885 -9.188 1.00 15.36 C +ATOM 1970 OE1 GLU A 137 204.883 -53.642 -9.828 1.00 15.79 O +ATOM 1971 OE2 GLU A 137 203.961 -53.000 -7.992 1.00 15.36 O +ATOM 1972 H GLU A 137 203.834 -50.130 -12.844 1.00 14.68 H +ATOM 1973 HA GLU A 137 205.380 -52.124 -11.571 1.00 14.84 H +ATOM 1974 HB2 GLU A 137 202.499 -51.445 -11.798 1.00 14.79 H +ATOM 1975 HB3 GLU A 137 202.814 -53.131 -11.397 1.00 14.83 H +ATOM 1976 HG2 GLU A 137 204.166 -50.863 -9.917 1.00 14.82 H +ATOM 1977 HG3 GLU A 137 202.579 -51.470 -9.438 1.00 15.16 H +ATOM 1978 N PRO A 138 203.603 -53.410 -14.073 1.00 14.99 N +ATOM 1979 CA PRO A 138 203.568 -54.538 -15.057 1.00 15.34 C +ATOM 1980 C PRO A 138 204.796 -54.541 -15.973 1.00 15.66 C +ATOM 1981 O PRO A 138 205.557 -53.600 -16.003 1.00 16.07 O +ATOM 1982 CB PRO A 138 202.271 -54.297 -15.861 1.00 15.48 C +ATOM 1983 CG PRO A 138 201.937 -52.860 -15.630 1.00 15.37 C +ATOM 1984 CD PRO A 138 202.422 -52.541 -14.220 1.00 14.97 C +ATOM 1985 HA PRO A 138 203.502 -55.477 -14.535 1.00 15.44 H +ATOM 1986 HB2 PRO A 138 202.431 -54.487 -16.918 1.00 15.71 H +ATOM 1987 HB3 PRO A 138 201.476 -54.927 -15.488 1.00 15.59 H +ATOM 1988 HG2 PRO A 138 202.453 -52.239 -16.352 1.00 15.58 H +ATOM 1989 HG3 PRO A 138 200.873 -52.702 -15.695 1.00 15.53 H +ATOM 1990 HD2 PRO A 138 202.684 -51.498 -14.141 1.00 15.00 H +ATOM 1991 HD3 PRO A 138 201.672 -52.804 -13.491 1.00 14.81 H +ATOM 1992 N GLU A 139 204.999 -55.601 -16.702 1.00 15.61 N +ATOM 1993 CA GLU A 139 206.187 -55.672 -17.600 1.00 16.09 C +ATOM 1994 C GLU A 139 206.185 -54.473 -18.554 1.00 16.38 C +ATOM 1995 O GLU A 139 207.221 -54.039 -19.019 1.00 16.44 O +ATOM 1996 CB GLU A 139 206.135 -56.966 -18.418 1.00 16.07 C +ATOM 1997 CG GLU A 139 206.291 -58.180 -17.491 1.00 16.39 C +ATOM 1998 CD GLU A 139 204.947 -58.517 -16.837 1.00 16.51 C +ATOM 1999 OE1 GLU A 139 204.004 -57.770 -17.045 1.00 16.68 O +ATOM 2000 OE2 GLU A 139 204.889 -59.511 -16.134 1.00 16.57 O +ATOM 2001 H GLU A 139 204.376 -56.357 -16.653 1.00 15.37 H +ATOM 2002 HA GLU A 139 207.088 -55.654 -17.007 1.00 16.41 H +ATOM 2003 HB2 GLU A 139 205.190 -57.022 -18.938 1.00 16.05 H +ATOM 2004 HB3 GLU A 139 206.940 -56.965 -19.139 1.00 16.00 H +ATOM 2005 HG2 GLU A 139 206.628 -59.026 -18.071 1.00 16.56 H +ATOM 2006 HG3 GLU A 139 207.020 -57.962 -16.722 1.00 16.52 H +ATOM 2007 N ALA A 140 205.034 -53.935 -18.851 1.00 16.70 N +ATOM 2008 CA ALA A 140 204.971 -52.762 -19.777 1.00 17.17 C +ATOM 2009 C ALA A 140 203.730 -51.927 -19.454 1.00 17.37 C +ATOM 2010 O ALA A 140 202.844 -52.453 -18.799 1.00 17.40 O +ATOM 2011 CB ALA A 140 204.885 -53.253 -21.221 1.00 17.38 C +ATOM 2012 OXT ALA A 140 203.683 -50.781 -19.870 1.00 17.61 O +ATOM 2013 H ALA A 140 204.211 -54.299 -18.466 1.00 16.73 H +ATOM 2014 HA ALA A 140 205.856 -52.152 -19.656 1.00 17.38 H +ATOM 2015 HB1 ALA A 140 205.662 -53.979 -21.401 1.00 17.32 H +ATOM 2016 HB2 ALA A 140 205.012 -52.418 -21.895 1.00 17.57 H +ATOM 2017 HB3 ALA A 140 203.919 -53.708 -21.388 1.00 17.54 H +TER 2018 ALA A 140 +END diff --git a/bench/main_benchmark/structures/SFB_ID_BAD_1G5JB_1G5JB/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_BAD_1G5JB_1G5JB/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..afd4f9e7e2ad2d9c578d490dfc5c0479f0b4b870 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_BAD_1G5JB_1G5JB/state_a.pdb @@ -0,0 +1,435 @@ +ATOM 1 N ASN B 301 17.420 1.247 9.647 1.00 2.85 N +ATOM 2 CA ASN B 301 16.609 2.492 9.660 1.00 2.29 C +ATOM 3 C ASN B 301 15.432 2.394 8.694 1.00 1.80 C +ATOM 4 O ASN B 301 15.553 1.833 7.606 1.00 2.36 O +ATOM 5 CB ASN B 301 17.512 3.665 9.274 1.00 2.88 C +ATOM 6 CG ASN B 301 17.759 4.610 10.433 1.00 3.28 C +ATOM 7 OD1 ASN B 301 17.107 5.647 10.555 1.00 3.51 O +ATOM 8 ND2 ASN B 301 18.707 4.255 11.294 1.00 3.99 N +ATOM 9 H1 ASN B 301 18.095 1.300 10.436 1.00 3.26 H +ATOM 10 H2 ASN B 301 17.913 1.200 8.732 1.00 3.07 H +ATOM 11 H3 ASN B 301 16.770 0.444 9.766 1.00 3.22 H +ATOM 12 HA ASN B 301 16.232 2.647 10.660 1.00 2.52 H +ATOM 13 HB2 ASN B 301 18.464 3.284 8.936 1.00 3.35 H +ATOM 14 HB3 ASN B 301 17.047 4.221 8.473 1.00 3.26 H +ATOM 15 HD21 ASN B 301 19.186 3.416 11.134 1.00 4.24 H +ATOM 16 HD22 ASN B 301 18.888 4.848 12.053 1.00 4.50 H +ATOM 17 N LEU B 302 14.293 2.946 9.102 1.00 1.28 N +ATOM 18 CA LEU B 302 13.092 2.923 8.274 1.00 0.88 C +ATOM 19 C LEU B 302 12.163 4.079 8.634 1.00 0.76 C +ATOM 20 O LEU B 302 11.327 3.962 9.530 1.00 1.06 O +ATOM 21 CB LEU B 302 12.359 1.590 8.438 1.00 0.84 C +ATOM 22 CG LEU B 302 11.787 1.002 7.147 1.00 1.59 C +ATOM 23 CD1 LEU B 302 11.169 2.097 6.291 1.00 2.30 C +ATOM 24 CD2 LEU B 302 12.871 0.266 6.373 1.00 2.43 C +ATOM 25 H LEU B 302 14.259 3.380 9.980 1.00 1.69 H +ATOM 26 HA LEU B 302 13.398 3.030 7.244 1.00 1.14 H +ATOM 27 HB2 LEU B 302 13.048 0.873 8.862 1.00 1.25 H +ATOM 28 HB3 LEU B 302 11.544 1.734 9.133 1.00 1.48 H +ATOM 29 HG LEU B 302 11.011 0.293 7.394 1.00 2.16 H +ATOM 30 HD11 LEU B 302 10.622 1.650 5.474 1.00 2.80 H +ATOM 31 HD12 LEU B 302 11.950 2.731 5.898 1.00 2.74 H +ATOM 32 HD13 LEU B 302 10.495 2.688 6.895 1.00 2.70 H +ATOM 33 HD21 LEU B 302 12.459 -0.115 5.451 1.00 2.97 H +ATOM 34 HD22 LEU B 302 13.243 -0.555 6.968 1.00 2.74 H +ATOM 35 HD23 LEU B 302 13.680 0.946 6.152 1.00 2.85 H +ATOM 36 N TRP B 303 12.319 5.197 7.930 1.00 0.77 N +ATOM 37 CA TRP B 303 11.497 6.378 8.175 1.00 0.70 C +ATOM 38 C TRP B 303 10.106 6.215 7.572 1.00 0.59 C +ATOM 39 O TRP B 303 9.096 6.429 8.252 1.00 0.62 O +ATOM 40 CB TRP B 303 12.172 7.622 7.594 1.00 0.85 C +ATOM 41 CG TRP B 303 11.495 8.903 7.977 1.00 0.98 C +ATOM 42 CD1 TRP B 303 10.191 9.241 7.753 1.00 1.53 C +ATOM 43 CD2 TRP B 303 12.090 10.020 8.648 1.00 1.47 C +ATOM 44 NE1 TRP B 303 9.939 10.499 8.246 1.00 1.52 N +ATOM 45 CE2 TRP B 303 11.088 10.997 8.800 1.00 1.42 C +ATOM 46 CE3 TRP B 303 13.372 10.287 9.136 1.00 2.48 C +ATOM 47 CZ2 TRP B 303 11.330 12.221 9.419 1.00 1.99 C +ATOM 48 CZ3 TRP B 303 13.611 11.502 9.750 1.00 3.23 C +ATOM 49 CH2 TRP B 303 12.594 12.456 9.887 1.00 2.90 C +ATOM 50 H TRP B 303 13.004 5.229 7.230 1.00 1.09 H +ATOM 51 HA TRP B 303 11.401 6.499 9.244 1.00 0.79 H +ATOM 52 HB2 TRP B 303 13.192 7.667 7.946 1.00 0.96 H +ATOM 53 HB3 TRP B 303 12.171 7.552 6.516 1.00 0.94 H +ATOM 54 HD1 TRP B 303 9.472 8.604 7.260 1.00 2.25 H +ATOM 55 HE1 TRP B 303 9.076 10.963 8.208 1.00 1.97 H +ATOM 56 HE3 TRP B 303 14.168 9.564 9.039 1.00 2.80 H +ATOM 57 HZ2 TRP B 303 10.557 12.967 9.533 1.00 1.96 H +ATOM 58 HZ3 TRP B 303 14.595 11.727 10.133 1.00 4.15 H +ATOM 59 HH2 TRP B 303 12.826 13.392 10.373 1.00 3.52 H +ATOM 60 N ALA B 304 10.063 5.839 6.291 1.00 0.55 N +ATOM 61 CA ALA B 304 8.800 5.650 5.586 1.00 0.59 C +ATOM 62 C ALA B 304 7.914 4.634 6.319 1.00 0.69 C +ATOM 63 O ALA B 304 7.379 4.979 7.363 1.00 1.21 O +ATOM 64 CB ALA B 304 9.059 5.252 4.139 1.00 0.57 C +ATOM 65 H ALA B 304 10.904 5.690 5.810 1.00 0.58 H +ATOM 66 HA ALA B 304 8.289 6.603 5.580 1.00 0.76 H +ATOM 67 HB1 ALA B 304 9.545 6.066 3.623 1.00 1.16 H +ATOM 68 HB2 ALA B 304 9.696 4.380 4.115 1.00 1.09 H +ATOM 69 HB3 ALA B 304 8.121 5.025 3.654 1.00 1.14 H +ATOM 70 N ALA B 305 7.771 3.401 5.770 1.00 0.44 N +ATOM 71 CA ALA B 305 6.954 2.322 6.367 1.00 0.58 C +ATOM 72 C ALA B 305 6.215 2.744 7.637 1.00 0.65 C +ATOM 73 O ALA B 305 5.001 2.936 7.625 1.00 0.57 O +ATOM 74 CB ALA B 305 7.832 1.115 6.657 1.00 0.64 C +ATOM 75 H ALA B 305 8.231 3.202 4.929 1.00 0.56 H +ATOM 76 HA ALA B 305 6.223 2.023 5.631 1.00 0.74 H +ATOM 77 HB1 ALA B 305 7.384 0.232 6.226 1.00 1.22 H +ATOM 78 HB2 ALA B 305 8.810 1.269 6.226 1.00 1.20 H +ATOM 79 HB3 ALA B 305 7.926 0.986 7.725 1.00 1.18 H +ATOM 80 N GLN B 306 6.962 2.902 8.727 1.00 0.90 N +ATOM 81 CA GLN B 306 6.382 3.319 9.997 1.00 1.05 C +ATOM 82 C GLN B 306 5.488 4.547 9.815 1.00 0.94 C +ATOM 83 O GLN B 306 4.268 4.461 9.960 1.00 0.85 O +ATOM 84 CB GLN B 306 7.488 3.623 11.009 1.00 1.38 C +ATOM 85 CG GLN B 306 7.192 3.109 12.409 1.00 1.39 C +ATOM 86 CD GLN B 306 7.807 3.976 13.489 1.00 1.88 C +ATOM 87 OE1 GLN B 306 7.970 5.184 13.315 1.00 2.52 O +ATOM 88 NE2 GLN B 306 8.154 3.363 14.615 1.00 2.34 N +ATOM 89 H GLN B 306 7.927 2.745 8.672 1.00 1.01 H +ATOM 90 HA GLN B 306 5.780 2.503 10.369 1.00 1.07 H +ATOM 91 HB2 GLN B 306 8.406 3.167 10.669 1.00 1.86 H +ATOM 92 HB3 GLN B 306 7.626 4.693 11.064 1.00 1.87 H +ATOM 93 HG2 GLN B 306 6.122 3.087 12.552 1.00 1.78 H +ATOM 94 HG3 GLN B 306 7.588 2.108 12.502 1.00 1.76 H +ATOM 95 HE21 GLN B 306 7.995 2.398 14.684 1.00 2.59 H +ATOM 96 HE22 GLN B 306 8.554 3.900 15.331 1.00 2.78 H +ATOM 97 N ARG B 307 6.096 5.692 9.490 1.00 1.01 N +ATOM 98 CA ARG B 307 5.333 6.923 9.288 1.00 1.01 C +ATOM 99 C ARG B 307 4.432 6.797 8.064 1.00 0.82 C +ATOM 100 O ARG B 307 3.261 7.178 8.093 1.00 0.79 O +ATOM 101 CB ARG B 307 6.278 8.115 9.123 1.00 1.25 C +ATOM 102 CG ARG B 307 5.597 9.462 9.302 1.00 1.41 C +ATOM 103 CD ARG B 307 6.611 10.588 9.413 1.00 2.02 C +ATOM 104 NE ARG B 307 6.145 11.663 10.286 1.00 2.64 N +ATOM 105 CZ ARG B 307 6.651 12.895 10.284 1.00 3.22 C +ATOM 106 NH1 ARG B 307 7.637 13.218 9.455 1.00 3.46 N +ATOM 107 NH2 ARG B 307 6.169 13.809 11.115 1.00 4.03 N +ATOM 108 H ARG B 307 7.075 5.707 9.379 1.00 1.10 H +ATOM 109 HA ARG B 307 4.716 7.080 10.161 1.00 1.03 H +ATOM 110 HB2 ARG B 307 7.069 8.036 9.854 1.00 1.68 H +ATOM 111 HB3 ARG B 307 6.710 8.083 8.134 1.00 1.50 H +ATOM 112 HG2 ARG B 307 4.959 9.648 8.451 1.00 1.72 H +ATOM 113 HG3 ARG B 307 5.001 9.436 10.203 1.00 1.91 H +ATOM 114 HD2 ARG B 307 7.532 10.188 9.812 1.00 2.41 H +ATOM 115 HD3 ARG B 307 6.792 10.990 8.427 1.00 2.47 H +ATOM 116 HE ARG B 307 5.417 11.456 10.907 1.00 3.01 H +ATOM 117 HH11 ARG B 307 8.008 12.537 8.824 1.00 3.29 H +ATOM 118 HH12 ARG B 307 8.010 14.146 9.461 1.00 4.10 H +ATOM 119 HH21 ARG B 307 5.427 13.573 11.742 1.00 4.34 H +ATOM 120 HH22 ARG B 307 6.549 14.734 11.115 1.00 4.54 H +ATOM 121 N TYR B 308 4.998 6.247 6.998 1.00 0.79 N +ATOM 122 CA TYR B 308 4.289 6.033 5.742 1.00 0.72 C +ATOM 123 C TYR B 308 2.890 5.475 5.994 1.00 0.64 C +ATOM 124 O TYR B 308 1.900 5.981 5.464 1.00 0.65 O +ATOM 125 CB TYR B 308 5.104 5.064 4.884 1.00 0.79 C +ATOM 126 CG TYR B 308 4.605 4.878 3.472 1.00 0.54 C +ATOM 127 CD1 TYR B 308 3.630 5.705 2.930 1.00 0.84 C +ATOM 128 CD2 TYR B 308 5.130 3.869 2.676 1.00 0.63 C +ATOM 129 CE1 TYR B 308 3.189 5.526 1.631 1.00 0.73 C +ATOM 130 CE2 TYR B 308 4.698 3.685 1.378 1.00 0.67 C +ATOM 131 CZ TYR B 308 3.725 4.516 0.861 1.00 0.40 C +ATOM 132 OH TYR B 308 3.286 4.336 -0.430 1.00 0.58 O +ATOM 133 H TYR B 308 5.933 5.964 7.060 1.00 0.87 H +ATOM 134 HA TYR B 308 4.208 6.980 5.231 1.00 0.81 H +ATOM 135 HB2 TYR B 308 6.116 5.429 4.819 1.00 0.92 H +ATOM 136 HB3 TYR B 308 5.110 4.095 5.362 1.00 1.00 H +ATOM 137 HD1 TYR B 308 3.214 6.495 3.536 1.00 1.32 H +ATOM 138 HD2 TYR B 308 5.885 3.216 3.090 1.00 1.02 H +ATOM 139 HE1 TYR B 308 2.429 6.177 1.224 1.00 1.13 H +ATOM 140 HE2 TYR B 308 5.120 2.889 0.776 1.00 1.14 H +ATOM 141 HH TYR B 308 2.327 4.303 -0.441 1.00 0.87 H +ATOM 142 N GLY B 309 2.819 4.433 6.816 1.00 0.66 N +ATOM 143 CA GLY B 309 1.543 3.824 7.136 1.00 0.72 C +ATOM 144 C GLY B 309 0.677 4.723 7.995 1.00 0.67 C +ATOM 145 O GLY B 309 -0.528 4.830 7.772 1.00 0.75 O +ATOM 146 H GLY B 309 3.642 4.079 7.214 1.00 0.70 H +ATOM 147 HA2 GLY B 309 1.019 3.607 6.217 1.00 0.77 H +ATOM 148 HA3 GLY B 309 1.720 2.900 7.666 1.00 0.81 H +ATOM 149 N ARG B 310 1.291 5.372 8.980 1.00 0.64 N +ATOM 150 CA ARG B 310 0.564 6.269 9.871 1.00 0.68 C +ATOM 151 C ARG B 310 -0.212 7.311 9.071 1.00 0.61 C +ATOM 152 O ARG B 310 -1.423 7.464 9.238 1.00 0.60 O +ATOM 153 CB ARG B 310 1.530 6.962 10.834 1.00 0.78 C +ATOM 154 CG ARG B 310 0.878 7.410 12.132 1.00 1.00 C +ATOM 155 CD ARG B 310 1.866 8.135 13.032 1.00 1.37 C +ATOM 156 NE ARG B 310 1.289 8.451 14.336 1.00 1.77 N +ATOM 157 CZ ARG B 310 1.972 9.001 15.338 1.00 2.31 C +ATOM 158 NH1 ARG B 310 3.258 9.299 15.195 1.00 2.80 N +ATOM 159 NH2 ARG B 310 1.366 9.255 16.490 1.00 2.95 N +ATOM 160 H ARG B 310 2.256 5.247 9.108 1.00 0.66 H +ATOM 161 HA ARG B 310 -0.135 5.675 10.440 1.00 0.78 H +ATOM 162 HB2 ARG B 310 2.331 6.278 11.077 1.00 0.98 H +ATOM 163 HB3 ARG B 310 1.946 7.831 10.346 1.00 0.95 H +ATOM 164 HG2 ARG B 310 0.061 8.078 11.901 1.00 1.46 H +ATOM 165 HG3 ARG B 310 0.500 6.542 12.652 1.00 1.28 H +ATOM 166 HD2 ARG B 310 2.731 7.505 13.175 1.00 1.66 H +ATOM 167 HD3 ARG B 310 2.167 9.053 12.549 1.00 1.96 H +ATOM 168 HE ARG B 310 0.341 8.243 14.473 1.00 2.18 H +ATOM 169 HH11 ARG B 310 3.725 9.112 14.331 1.00 2.82 H +ATOM 170 HH12 ARG B 310 3.762 9.712 15.954 1.00 3.46 H +ATOM 171 HH21 ARG B 310 0.398 9.033 16.606 1.00 3.22 H +ATOM 172 HH22 ARG B 310 1.877 9.668 17.244 1.00 3.43 H +ATOM 173 N GLU B 311 0.493 8.022 8.197 1.00 0.63 N +ATOM 174 CA GLU B 311 -0.130 9.045 7.368 1.00 0.69 C +ATOM 175 C GLU B 311 -1.280 8.454 6.561 1.00 0.65 C +ATOM 176 O GLU B 311 -2.356 9.046 6.468 1.00 0.74 O +ATOM 177 CB GLU B 311 0.903 9.670 6.427 1.00 0.80 C +ATOM 178 CG GLU B 311 0.769 11.178 6.293 1.00 0.95 C +ATOM 179 CD GLU B 311 2.108 11.870 6.131 1.00 1.28 C +ATOM 180 OE1 GLU B 311 3.110 11.171 5.869 1.00 1.99 O +ATOM 181 OE2 GLU B 311 2.155 13.111 6.265 1.00 1.88 O +ATOM 182 H GLU B 311 1.454 7.852 8.106 1.00 0.67 H +ATOM 183 HA GLU B 311 -0.520 9.811 8.022 1.00 0.74 H +ATOM 184 HB2 GLU B 311 1.892 9.450 6.800 1.00 1.23 H +ATOM 185 HB3 GLU B 311 0.791 9.232 5.447 1.00 1.09 H +ATOM 186 HG2 GLU B 311 0.161 11.398 5.429 1.00 1.54 H +ATOM 187 HG3 GLU B 311 0.286 11.564 7.179 1.00 1.51 H +ATOM 188 N LEU B 312 -1.047 7.281 5.982 1.00 0.60 N +ATOM 189 CA LEU B 312 -2.066 6.606 5.186 1.00 0.65 C +ATOM 190 C LEU B 312 -3.272 6.238 6.045 1.00 0.62 C +ATOM 191 O LEU B 312 -4.403 6.199 5.560 1.00 0.65 O +ATOM 192 CB LEU B 312 -1.484 5.347 4.538 1.00 0.75 C +ATOM 193 CG LEU B 312 -1.759 5.198 3.040 1.00 1.38 C +ATOM 194 CD1 LEU B 312 -3.225 4.876 2.796 1.00 2.06 C +ATOM 195 CD2 LEU B 312 -1.356 6.462 2.295 1.00 2.08 C +ATOM 196 H LEU B 312 -0.169 6.857 6.094 1.00 0.58 H +ATOM 197 HA LEU B 312 -2.385 7.286 4.410 1.00 0.72 H +ATOM 198 HB2 LEU B 312 -0.413 5.355 4.687 1.00 0.89 H +ATOM 199 HB3 LEU B 312 -1.894 4.486 5.043 1.00 1.03 H +ATOM 200 HG LEU B 312 -1.170 4.380 2.654 1.00 2.00 H +ATOM 201 HD11 LEU B 312 -3.364 3.805 2.800 1.00 2.44 H +ATOM 202 HD12 LEU B 312 -3.526 5.274 1.838 1.00 2.37 H +ATOM 203 HD13 LEU B 312 -3.826 5.321 3.575 1.00 2.70 H +ATOM 204 HD21 LEU B 312 -2.135 7.204 2.397 1.00 2.63 H +ATOM 205 HD22 LEU B 312 -1.213 6.232 1.249 1.00 2.51 H +ATOM 206 HD23 LEU B 312 -0.436 6.847 2.709 1.00 2.48 H +ATOM 207 N ARG B 313 -3.023 5.969 7.324 1.00 0.61 N +ATOM 208 CA ARG B 313 -4.088 5.605 8.251 1.00 0.65 C +ATOM 209 C ARG B 313 -5.103 6.735 8.387 1.00 0.61 C +ATOM 210 O ARG B 313 -6.303 6.528 8.211 1.00 0.63 O +ATOM 211 CB ARG B 313 -3.505 5.261 9.623 1.00 0.71 C +ATOM 212 CG ARG B 313 -4.538 4.747 10.613 1.00 0.88 C +ATOM 213 CD ARG B 313 -4.493 5.524 11.919 1.00 1.33 C +ATOM 214 NE ARG B 313 -5.012 4.742 13.039 1.00 1.38 N +ATOM 215 CZ ARG B 313 -4.942 5.129 14.312 1.00 1.75 C +ATOM 216 NH1 ARG B 313 -4.374 6.285 14.635 1.00 2.34 N +ATOM 217 NH2 ARG B 313 -5.441 4.355 15.266 1.00 2.35 N +ATOM 218 H ARG B 313 -2.101 6.017 7.651 1.00 0.61 H +ATOM 219 HA ARG B 313 -4.589 4.734 7.854 1.00 0.72 H +ATOM 220 HB2 ARG B 313 -2.748 4.501 9.499 1.00 0.85 H +ATOM 221 HB3 ARG B 313 -3.049 6.146 10.040 1.00 1.01 H +ATOM 222 HG2 ARG B 313 -5.521 4.851 10.178 1.00 1.29 H +ATOM 223 HG3 ARG B 313 -4.340 3.705 10.816 1.00 1.25 H +ATOM 224 HD2 ARG B 313 -3.468 5.795 12.126 1.00 1.89 H +ATOM 225 HD3 ARG B 313 -5.087 6.420 11.811 1.00 2.01 H +ATOM 226 HE ARG B 313 -5.435 3.883 12.832 1.00 1.89 H +ATOM 227 HH11 ARG B 313 -3.994 6.876 13.924 1.00 2.49 H +ATOM 228 HH12 ARG B 313 -4.327 6.566 15.594 1.00 2.99 H +ATOM 229 HH21 ARG B 313 -5.869 3.483 15.029 1.00 2.68 H +ATOM 230 HH22 ARG B 313 -5.389 4.644 16.222 1.00 2.82 H +ATOM 231 N ARG B 314 -4.612 7.931 8.700 1.00 0.58 N +ATOM 232 CA ARG B 314 -5.479 9.094 8.858 1.00 0.58 C +ATOM 233 C ARG B 314 -6.443 9.213 7.682 1.00 0.52 C +ATOM 234 O ARG B 314 -7.663 9.193 7.858 1.00 0.51 O +ATOM 235 CB ARG B 314 -4.641 10.369 8.978 1.00 0.61 C +ATOM 236 CG ARG B 314 -5.267 11.425 9.875 1.00 1.23 C +ATOM 237 CD ARG B 314 -4.234 12.433 10.353 1.00 1.57 C +ATOM 238 NE ARG B 314 -4.835 13.484 11.172 1.00 1.94 N +ATOM 239 CZ ARG B 314 -4.135 14.408 11.828 1.00 2.60 C +ATOM 240 NH1 ARG B 314 -2.808 14.418 11.767 1.00 3.14 N +ATOM 241 NH2 ARG B 314 -4.765 15.326 12.548 1.00 3.26 N +ATOM 242 H ARG B 314 -3.644 8.033 8.828 1.00 0.59 H +ATOM 243 HA ARG B 314 -6.050 8.961 9.765 1.00 0.63 H +ATOM 244 HB2 ARG B 314 -3.673 10.113 9.381 1.00 0.94 H +ATOM 245 HB3 ARG B 314 -4.511 10.794 7.994 1.00 1.09 H +ATOM 246 HG2 ARG B 314 -6.033 11.946 9.321 1.00 1.92 H +ATOM 247 HG3 ARG B 314 -5.707 10.939 10.733 1.00 1.87 H +ATOM 248 HD2 ARG B 314 -3.489 11.916 10.939 1.00 2.11 H +ATOM 249 HD3 ARG B 314 -3.765 12.885 9.492 1.00 2.08 H +ATOM 250 HE ARG B 314 -5.813 13.503 11.236 1.00 2.25 H +ATOM 251 HH11 ARG B 314 -2.324 13.731 11.227 1.00 3.13 H +ATOM 252 HH12 ARG B 314 -2.292 15.117 12.263 1.00 3.85 H +ATOM 253 HH21 ARG B 314 -5.763 15.324 12.598 1.00 3.46 H +ATOM 254 HH22 ARG B 314 -4.241 16.021 13.041 1.00 3.83 H +ATOM 255 N MET B 315 -5.888 9.331 6.480 1.00 0.49 N +ATOM 256 CA MET B 315 -6.699 9.447 5.276 1.00 0.45 C +ATOM 257 C MET B 315 -7.762 8.354 5.240 1.00 0.40 C +ATOM 258 O MET B 315 -8.863 8.562 4.733 1.00 0.40 O +ATOM 259 CB MET B 315 -5.817 9.361 4.030 1.00 0.46 C +ATOM 260 CG MET B 315 -5.245 10.701 3.596 1.00 0.56 C +ATOM 261 SD MET B 315 -3.532 10.579 3.046 1.00 1.30 S +ATOM 262 CE MET B 315 -2.718 11.644 4.234 1.00 1.22 C +ATOM 263 H MET B 315 -4.911 9.337 6.402 1.00 0.52 H +ATOM 264 HA MET B 315 -7.189 10.409 5.296 1.00 0.47 H +ATOM 265 HB2 MET B 315 -4.994 8.691 4.230 1.00 0.51 H +ATOM 266 HB3 MET B 315 -6.403 8.964 3.214 1.00 0.51 H +ATOM 267 HG2 MET B 315 -5.842 11.086 2.783 1.00 1.01 H +ATOM 268 HG3 MET B 315 -5.293 11.385 4.431 1.00 1.14 H +ATOM 269 HE1 MET B 315 -2.125 11.044 4.909 1.00 1.50 H +ATOM 270 HE2 MET B 315 -3.461 12.191 4.796 1.00 1.85 H +ATOM 271 HE3 MET B 315 -2.076 12.340 3.713 1.00 1.64 H +ATOM 272 N SER B 316 -7.423 7.190 5.788 1.00 0.39 N +ATOM 273 CA SER B 316 -8.348 6.063 5.825 1.00 0.37 C +ATOM 274 C SER B 316 -9.574 6.400 6.667 1.00 0.38 C +ATOM 275 O SER B 316 -10.710 6.257 6.213 1.00 0.36 O +ATOM 276 CB SER B 316 -7.652 4.823 6.389 1.00 0.41 C +ATOM 277 OG SER B 316 -8.113 4.529 7.697 1.00 1.28 O +ATOM 278 H SER B 316 -6.531 7.088 6.180 1.00 0.43 H +ATOM 279 HA SER B 316 -8.665 5.859 4.813 1.00 0.34 H +ATOM 280 HB2 SER B 316 -7.856 3.976 5.751 1.00 0.95 H +ATOM 281 HB3 SER B 316 -6.586 4.996 6.426 1.00 1.04 H +ATOM 282 HG SER B 316 -7.361 4.393 8.278 1.00 1.77 H +ATOM 283 N ASP B 317 -9.333 6.855 7.895 1.00 0.43 N +ATOM 284 CA ASP B 317 -10.417 7.220 8.800 1.00 0.47 C +ATOM 285 C ASP B 317 -11.423 8.117 8.090 1.00 0.46 C +ATOM 286 O ASP B 317 -12.634 7.925 8.207 1.00 0.48 O +ATOM 287 CB ASP B 317 -9.861 7.932 10.035 1.00 0.53 C +ATOM 288 CG ASP B 317 -10.773 7.799 11.239 1.00 1.11 C +ATOM 289 OD1 ASP B 317 -11.972 8.128 11.115 1.00 1.80 O +ATOM 290 OD2 ASP B 317 -10.289 7.365 12.305 1.00 1.76 O +ATOM 291 H ASP B 317 -8.406 6.950 8.196 1.00 0.46 H +ATOM 292 HA ASP B 317 -10.913 6.312 9.108 1.00 0.48 H +ATOM 293 HB2 ASP B 317 -8.901 7.507 10.286 1.00 0.81 H +ATOM 294 HB3 ASP B 317 -9.739 8.982 9.813 1.00 0.75 H +ATOM 295 N GLU B 318 -10.912 9.091 7.345 1.00 0.44 N +ATOM 296 CA GLU B 318 -11.764 10.013 6.605 1.00 0.46 C +ATOM 297 C GLU B 318 -12.264 9.368 5.314 1.00 0.41 C +ATOM 298 O GLU B 318 -13.357 9.673 4.837 1.00 0.43 O +ATOM 299 CB GLU B 318 -11.002 11.300 6.285 1.00 0.50 C +ATOM 300 CG GLU B 318 -11.423 12.484 7.140 1.00 1.00 C +ATOM 301 CD GLU B 318 -11.085 13.816 6.499 1.00 1.65 C +ATOM 302 OE1 GLU B 318 -10.219 13.838 5.598 1.00 2.28 O +ATOM 303 OE2 GLU B 318 -11.685 14.836 6.897 1.00 2.36 O +ATOM 304 H GLU B 318 -9.936 9.188 7.287 1.00 0.44 H +ATOM 305 HA GLU B 318 -12.614 10.252 7.227 1.00 0.51 H +ATOM 306 HB2 GLU B 318 -9.947 11.128 6.441 1.00 0.81 H +ATOM 307 HB3 GLU B 318 -11.167 11.555 5.249 1.00 0.81 H +ATOM 308 HG2 GLU B 318 -12.490 12.439 7.296 1.00 1.66 H +ATOM 309 HG3 GLU B 318 -10.918 12.422 8.093 1.00 1.38 H +ATOM 310 N PHE B 319 -11.453 8.473 4.756 1.00 0.35 N +ATOM 311 CA PHE B 319 -11.804 7.778 3.522 1.00 0.31 C +ATOM 312 C PHE B 319 -13.215 7.205 3.605 1.00 0.33 C +ATOM 313 O PHE B 319 -13.986 7.285 2.649 1.00 0.43 O +ATOM 314 CB PHE B 319 -10.793 6.658 3.254 1.00 0.28 C +ATOM 315 CG PHE B 319 -10.891 6.033 1.887 1.00 0.29 C +ATOM 316 CD1 PHE B 319 -11.333 6.760 0.789 1.00 0.42 C +ATOM 317 CD2 PHE B 319 -10.523 4.709 1.701 1.00 0.28 C +ATOM 318 CE1 PHE B 319 -11.407 6.176 -0.462 1.00 0.51 C +ATOM 319 CE2 PHE B 319 -10.592 4.122 0.453 1.00 0.34 C +ATOM 320 CZ PHE B 319 -11.035 4.856 -0.631 1.00 0.45 C +ATOM 321 H PHE B 319 -10.595 8.274 5.185 1.00 0.35 H +ATOM 322 HA PHE B 319 -11.762 8.494 2.718 1.00 0.34 H +ATOM 323 HB2 PHE B 319 -9.796 7.055 3.359 1.00 0.33 H +ATOM 324 HB3 PHE B 319 -10.938 5.876 3.986 1.00 0.29 H +ATOM 325 HD1 PHE B 319 -11.625 7.790 0.914 1.00 0.50 H +ATOM 326 HD2 PHE B 319 -10.179 4.132 2.547 1.00 0.31 H +ATOM 327 HE1 PHE B 319 -11.753 6.751 -1.307 1.00 0.65 H +ATOM 328 HE2 PHE B 319 -10.300 3.090 0.326 1.00 0.37 H +ATOM 329 HZ PHE B 319 -11.089 4.401 -1.610 1.00 0.54 H +ATOM 330 N VAL B 320 -13.547 6.631 4.758 1.00 0.32 N +ATOM 331 CA VAL B 320 -14.868 6.048 4.969 1.00 0.34 C +ATOM 332 C VAL B 320 -15.666 6.853 5.989 1.00 0.45 C +ATOM 333 O VAL B 320 -15.098 7.461 6.896 1.00 0.79 O +ATOM 334 CB VAL B 320 -14.770 4.590 5.452 1.00 0.38 C +ATOM 335 CG1 VAL B 320 -13.439 3.979 5.042 1.00 1.04 C +ATOM 336 CG2 VAL B 320 -14.958 4.513 6.960 1.00 1.24 C +ATOM 337 H VAL B 320 -12.889 6.601 5.484 1.00 0.36 H +ATOM 338 HA VAL B 320 -15.393 6.059 4.025 1.00 0.35 H +ATOM 339 HB VAL B 320 -15.560 4.023 4.983 1.00 0.94 H +ATOM 340 HG11 VAL B 320 -13.453 2.917 5.243 1.00 1.57 H +ATOM 341 HG12 VAL B 320 -12.642 4.441 5.606 1.00 1.68 H +ATOM 342 HG13 VAL B 320 -13.276 4.143 3.988 1.00 1.63 H +ATOM 343 HG21 VAL B 320 -14.647 3.541 7.312 1.00 1.73 H +ATOM 344 HG22 VAL B 320 -16.000 4.666 7.200 1.00 1.66 H +ATOM 345 HG23 VAL B 320 -14.363 5.277 7.436 1.00 1.89 H +ATOM 346 N ASP B 321 -16.987 6.853 5.835 1.00 0.43 N +ATOM 347 CA ASP B 321 -17.862 7.583 6.745 1.00 0.49 C +ATOM 348 C ASP B 321 -19.323 7.451 6.324 1.00 0.62 C +ATOM 349 O ASP B 321 -20.214 7.343 7.166 1.00 1.27 O +ATOM 350 CB ASP B 321 -17.467 9.061 6.793 1.00 0.64 C +ATOM 351 CG ASP B 321 -17.471 9.615 8.204 1.00 1.23 C +ATOM 352 OD1 ASP B 321 -17.241 8.832 9.149 1.00 1.97 O +ATOM 353 OD2 ASP B 321 -17.704 10.831 8.364 1.00 1.94 O +ATOM 354 H ASP B 321 -17.382 6.349 5.093 1.00 0.61 H +ATOM 355 HA ASP B 321 -17.745 7.157 7.730 1.00 0.56 H +ATOM 356 HB2 ASP B 321 -16.475 9.177 6.383 1.00 1.19 H +ATOM 357 HB3 ASP B 321 -18.166 9.633 6.199 1.00 1.03 H +ATOM 358 N SER B 322 -19.562 7.463 5.016 1.00 0.58 N +ATOM 359 CA SER B 322 -20.916 7.348 4.487 1.00 0.60 C +ATOM 360 C SER B 322 -21.231 5.908 4.094 1.00 0.54 C +ATOM 361 O SER B 322 -22.306 5.392 4.401 1.00 0.71 O +ATOM 362 CB SER B 322 -21.093 8.269 3.278 1.00 0.75 C +ATOM 363 OG SER B 322 -20.866 9.622 3.630 1.00 1.39 O +ATOM 364 H SER B 322 -18.811 7.555 4.393 1.00 1.02 H +ATOM 365 HA SER B 322 -21.602 7.654 5.263 1.00 0.66 H +ATOM 366 HB2 SER B 322 -20.391 7.987 2.508 1.00 1.24 H +ATOM 367 HB3 SER B 322 -22.100 8.172 2.899 1.00 1.30 H +ATOM 368 HG SER B 322 -20.573 10.110 2.856 1.00 1.73 H +ATOM 369 N PHE B 323 -20.291 5.265 3.410 1.00 0.44 N +ATOM 370 CA PHE B 323 -20.474 3.885 2.974 1.00 0.44 C +ATOM 371 C PHE B 323 -20.855 2.990 4.148 1.00 0.53 C +ATOM 372 O PHE B 323 -21.801 2.208 4.064 1.00 1.00 O +ATOM 373 CB PHE B 323 -19.199 3.357 2.311 1.00 0.47 C +ATOM 374 CG PHE B 323 -18.606 4.293 1.293 1.00 0.42 C +ATOM 375 CD1 PHE B 323 -19.364 5.309 0.730 1.00 1.23 C +ATOM 376 CD2 PHE B 323 -17.284 4.154 0.901 1.00 1.28 C +ATOM 377 CE1 PHE B 323 -18.813 6.166 -0.204 1.00 1.24 C +ATOM 378 CE2 PHE B 323 -16.729 5.007 -0.032 1.00 1.28 C +ATOM 379 CZ PHE B 323 -17.494 6.014 -0.585 1.00 0.43 C +ATOM 380 H PHE B 323 -19.455 5.729 3.192 1.00 0.49 H +ATOM 381 HA PHE B 323 -21.276 3.870 2.251 1.00 0.46 H +ATOM 382 HB2 PHE B 323 -18.454 3.182 3.071 1.00 0.57 H +ATOM 383 HB3 PHE B 323 -19.423 2.424 1.814 1.00 0.51 H +ATOM 384 HD1 PHE B 323 -20.395 5.429 1.024 1.00 2.13 H +ATOM 385 HD2 PHE B 323 -16.685 3.367 1.332 1.00 2.18 H +ATOM 386 HE1 PHE B 323 -19.412 6.954 -0.633 1.00 2.14 H +ATOM 387 HE2 PHE B 323 -15.698 4.887 -0.328 1.00 2.18 H +ATOM 388 HZ PHE B 323 -17.061 6.682 -1.315 1.00 0.46 H +ATOM 389 N LYS B 324 -20.110 3.109 5.242 1.00 0.79 N +ATOM 390 CA LYS B 324 -20.369 2.310 6.434 1.00 0.85 C +ATOM 391 C LYS B 324 -21.635 2.782 7.142 1.00 0.92 C +ATOM 392 O LYS B 324 -21.825 3.978 7.364 1.00 1.45 O +ATOM 393 CB LYS B 324 -19.178 2.384 7.392 1.00 0.99 C +ATOM 394 CG LYS B 324 -18.881 3.790 7.888 1.00 0.96 C +ATOM 395 CD LYS B 324 -17.803 3.787 8.959 1.00 1.74 C +ATOM 396 CE LYS B 324 -18.294 3.137 10.242 1.00 2.16 C +ATOM 397 NZ LYS B 324 -17.309 3.281 11.350 1.00 2.91 N +ATOM 398 H LYS B 324 -19.368 3.750 5.248 1.00 1.21 H +ATOM 399 HA LYS B 324 -20.506 1.286 6.123 1.00 0.88 H +ATOM 400 HB2 LYS B 324 -19.381 1.758 8.249 1.00 1.54 H +ATOM 401 HB3 LYS B 324 -18.300 2.011 6.886 1.00 1.47 H +ATOM 402 HG2 LYS B 324 -18.547 4.391 7.056 1.00 1.07 H +ATOM 403 HG3 LYS B 324 -19.785 4.213 8.301 1.00 1.40 H +ATOM 404 HD2 LYS B 324 -16.948 3.238 8.594 1.00 2.20 H +ATOM 405 HD3 LYS B 324 -17.515 4.807 9.169 1.00 2.25 H +ATOM 406 HE2 LYS B 324 -19.222 3.604 10.535 1.00 2.48 H +ATOM 407 HE3 LYS B 324 -18.463 2.087 10.057 1.00 2.30 H +ATOM 408 HZ1 LYS B 324 -17.423 2.505 12.033 1.00 3.27 H +ATOM 409 HZ2 LYS B 324 -17.454 4.186 11.842 1.00 3.27 H +ATOM 410 HZ3 LYS B 324 -16.340 3.257 10.972 1.00 3.32 H +ATOM 411 N LYS B 325 -22.498 1.835 7.495 1.00 1.52 N +ATOM 412 CA LYS B 325 -23.746 2.153 8.178 1.00 1.71 C +ATOM 413 C LYS B 325 -24.718 2.856 7.236 1.00 2.33 C +ATOM 414 O LYS B 325 -24.254 3.666 6.405 1.00 2.95 O +ATOM 415 CB LYS B 325 -23.473 3.035 9.398 1.00 2.35 C +ATOM 416 CG LYS B 325 -24.580 2.992 10.439 1.00 2.90 C +ATOM 417 CD LYS B 325 -25.623 4.068 10.186 1.00 3.59 C +ATOM 418 CE LYS B 325 -26.977 3.675 10.754 1.00 4.49 C +ATOM 419 NZ LYS B 325 -27.790 4.865 11.129 1.00 5.48 N +ATOM 420 OXT LYS B 325 -25.934 2.590 7.335 1.00 2.93 O +ATOM 421 H LYS B 325 -22.290 0.899 7.291 1.00 2.18 H +ATOM 422 HA LYS B 325 -24.190 1.226 8.507 1.00 1.86 H +ATOM 423 HB2 LYS B 325 -22.556 2.708 9.866 1.00 2.83 H +ATOM 424 HB3 LYS B 325 -23.355 4.057 9.070 1.00 2.79 H +ATOM 425 HG2 LYS B 325 -25.059 2.025 10.401 1.00 3.25 H +ATOM 426 HG3 LYS B 325 -24.147 3.144 11.417 1.00 3.19 H +ATOM 427 HD2 LYS B 325 -25.301 4.986 10.655 1.00 3.74 H +ATOM 428 HD3 LYS B 325 -25.720 4.220 9.121 1.00 3.80 H +ATOM 429 HE2 LYS B 325 -27.513 3.104 10.011 1.00 4.53 H +ATOM 430 HE3 LYS B 325 -26.822 3.065 11.632 1.00 4.79 H +ATOM 431 HZ1 LYS B 325 -27.217 5.527 11.690 1.00 5.92 H +ATOM 432 HZ2 LYS B 325 -28.613 4.574 11.692 1.00 5.79 H +ATOM 433 HZ3 LYS B 325 -28.125 5.353 10.273 1.00 5.75 H +TER 434 LYS B 325 +END diff --git a/bench/main_benchmark/structures/SFB_ID_BAD_1G5JB_1G5JB/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_BAD_1G5JB_1G5JB/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..afd4f9e7e2ad2d9c578d490dfc5c0479f0b4b870 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_BAD_1G5JB_1G5JB/state_b.pdb @@ -0,0 +1,435 @@ +ATOM 1 N ASN B 301 17.420 1.247 9.647 1.00 2.85 N +ATOM 2 CA ASN B 301 16.609 2.492 9.660 1.00 2.29 C +ATOM 3 C ASN B 301 15.432 2.394 8.694 1.00 1.80 C +ATOM 4 O ASN B 301 15.553 1.833 7.606 1.00 2.36 O +ATOM 5 CB ASN B 301 17.512 3.665 9.274 1.00 2.88 C +ATOM 6 CG ASN B 301 17.759 4.610 10.433 1.00 3.28 C +ATOM 7 OD1 ASN B 301 17.107 5.647 10.555 1.00 3.51 O +ATOM 8 ND2 ASN B 301 18.707 4.255 11.294 1.00 3.99 N +ATOM 9 H1 ASN B 301 18.095 1.300 10.436 1.00 3.26 H +ATOM 10 H2 ASN B 301 17.913 1.200 8.732 1.00 3.07 H +ATOM 11 H3 ASN B 301 16.770 0.444 9.766 1.00 3.22 H +ATOM 12 HA ASN B 301 16.232 2.647 10.660 1.00 2.52 H +ATOM 13 HB2 ASN B 301 18.464 3.284 8.936 1.00 3.35 H +ATOM 14 HB3 ASN B 301 17.047 4.221 8.473 1.00 3.26 H +ATOM 15 HD21 ASN B 301 19.186 3.416 11.134 1.00 4.24 H +ATOM 16 HD22 ASN B 301 18.888 4.848 12.053 1.00 4.50 H +ATOM 17 N LEU B 302 14.293 2.946 9.102 1.00 1.28 N +ATOM 18 CA LEU B 302 13.092 2.923 8.274 1.00 0.88 C +ATOM 19 C LEU B 302 12.163 4.079 8.634 1.00 0.76 C +ATOM 20 O LEU B 302 11.327 3.962 9.530 1.00 1.06 O +ATOM 21 CB LEU B 302 12.359 1.590 8.438 1.00 0.84 C +ATOM 22 CG LEU B 302 11.787 1.002 7.147 1.00 1.59 C +ATOM 23 CD1 LEU B 302 11.169 2.097 6.291 1.00 2.30 C +ATOM 24 CD2 LEU B 302 12.871 0.266 6.373 1.00 2.43 C +ATOM 25 H LEU B 302 14.259 3.380 9.980 1.00 1.69 H +ATOM 26 HA LEU B 302 13.398 3.030 7.244 1.00 1.14 H +ATOM 27 HB2 LEU B 302 13.048 0.873 8.862 1.00 1.25 H +ATOM 28 HB3 LEU B 302 11.544 1.734 9.133 1.00 1.48 H +ATOM 29 HG LEU B 302 11.011 0.293 7.394 1.00 2.16 H +ATOM 30 HD11 LEU B 302 10.622 1.650 5.474 1.00 2.80 H +ATOM 31 HD12 LEU B 302 11.950 2.731 5.898 1.00 2.74 H +ATOM 32 HD13 LEU B 302 10.495 2.688 6.895 1.00 2.70 H +ATOM 33 HD21 LEU B 302 12.459 -0.115 5.451 1.00 2.97 H +ATOM 34 HD22 LEU B 302 13.243 -0.555 6.968 1.00 2.74 H +ATOM 35 HD23 LEU B 302 13.680 0.946 6.152 1.00 2.85 H +ATOM 36 N TRP B 303 12.319 5.197 7.930 1.00 0.77 N +ATOM 37 CA TRP B 303 11.497 6.378 8.175 1.00 0.70 C +ATOM 38 C TRP B 303 10.106 6.215 7.572 1.00 0.59 C +ATOM 39 O TRP B 303 9.096 6.429 8.252 1.00 0.62 O +ATOM 40 CB TRP B 303 12.172 7.622 7.594 1.00 0.85 C +ATOM 41 CG TRP B 303 11.495 8.903 7.977 1.00 0.98 C +ATOM 42 CD1 TRP B 303 10.191 9.241 7.753 1.00 1.53 C +ATOM 43 CD2 TRP B 303 12.090 10.020 8.648 1.00 1.47 C +ATOM 44 NE1 TRP B 303 9.939 10.499 8.246 1.00 1.52 N +ATOM 45 CE2 TRP B 303 11.088 10.997 8.800 1.00 1.42 C +ATOM 46 CE3 TRP B 303 13.372 10.287 9.136 1.00 2.48 C +ATOM 47 CZ2 TRP B 303 11.330 12.221 9.419 1.00 1.99 C +ATOM 48 CZ3 TRP B 303 13.611 11.502 9.750 1.00 3.23 C +ATOM 49 CH2 TRP B 303 12.594 12.456 9.887 1.00 2.90 C +ATOM 50 H TRP B 303 13.004 5.229 7.230 1.00 1.09 H +ATOM 51 HA TRP B 303 11.401 6.499 9.244 1.00 0.79 H +ATOM 52 HB2 TRP B 303 13.192 7.667 7.946 1.00 0.96 H +ATOM 53 HB3 TRP B 303 12.171 7.552 6.516 1.00 0.94 H +ATOM 54 HD1 TRP B 303 9.472 8.604 7.260 1.00 2.25 H +ATOM 55 HE1 TRP B 303 9.076 10.963 8.208 1.00 1.97 H +ATOM 56 HE3 TRP B 303 14.168 9.564 9.039 1.00 2.80 H +ATOM 57 HZ2 TRP B 303 10.557 12.967 9.533 1.00 1.96 H +ATOM 58 HZ3 TRP B 303 14.595 11.727 10.133 1.00 4.15 H +ATOM 59 HH2 TRP B 303 12.826 13.392 10.373 1.00 3.52 H +ATOM 60 N ALA B 304 10.063 5.839 6.291 1.00 0.55 N +ATOM 61 CA ALA B 304 8.800 5.650 5.586 1.00 0.59 C +ATOM 62 C ALA B 304 7.914 4.634 6.319 1.00 0.69 C +ATOM 63 O ALA B 304 7.379 4.979 7.363 1.00 1.21 O +ATOM 64 CB ALA B 304 9.059 5.252 4.139 1.00 0.57 C +ATOM 65 H ALA B 304 10.904 5.690 5.810 1.00 0.58 H +ATOM 66 HA ALA B 304 8.289 6.603 5.580 1.00 0.76 H +ATOM 67 HB1 ALA B 304 9.545 6.066 3.623 1.00 1.16 H +ATOM 68 HB2 ALA B 304 9.696 4.380 4.115 1.00 1.09 H +ATOM 69 HB3 ALA B 304 8.121 5.025 3.654 1.00 1.14 H +ATOM 70 N ALA B 305 7.771 3.401 5.770 1.00 0.44 N +ATOM 71 CA ALA B 305 6.954 2.322 6.367 1.00 0.58 C +ATOM 72 C ALA B 305 6.215 2.744 7.637 1.00 0.65 C +ATOM 73 O ALA B 305 5.001 2.936 7.625 1.00 0.57 O +ATOM 74 CB ALA B 305 7.832 1.115 6.657 1.00 0.64 C +ATOM 75 H ALA B 305 8.231 3.202 4.929 1.00 0.56 H +ATOM 76 HA ALA B 305 6.223 2.023 5.631 1.00 0.74 H +ATOM 77 HB1 ALA B 305 7.384 0.232 6.226 1.00 1.22 H +ATOM 78 HB2 ALA B 305 8.810 1.269 6.226 1.00 1.20 H +ATOM 79 HB3 ALA B 305 7.926 0.986 7.725 1.00 1.18 H +ATOM 80 N GLN B 306 6.962 2.902 8.727 1.00 0.90 N +ATOM 81 CA GLN B 306 6.382 3.319 9.997 1.00 1.05 C +ATOM 82 C GLN B 306 5.488 4.547 9.815 1.00 0.94 C +ATOM 83 O GLN B 306 4.268 4.461 9.960 1.00 0.85 O +ATOM 84 CB GLN B 306 7.488 3.623 11.009 1.00 1.38 C +ATOM 85 CG GLN B 306 7.192 3.109 12.409 1.00 1.39 C +ATOM 86 CD GLN B 306 7.807 3.976 13.489 1.00 1.88 C +ATOM 87 OE1 GLN B 306 7.970 5.184 13.315 1.00 2.52 O +ATOM 88 NE2 GLN B 306 8.154 3.363 14.615 1.00 2.34 N +ATOM 89 H GLN B 306 7.927 2.745 8.672 1.00 1.01 H +ATOM 90 HA GLN B 306 5.780 2.503 10.369 1.00 1.07 H +ATOM 91 HB2 GLN B 306 8.406 3.167 10.669 1.00 1.86 H +ATOM 92 HB3 GLN B 306 7.626 4.693 11.064 1.00 1.87 H +ATOM 93 HG2 GLN B 306 6.122 3.087 12.552 1.00 1.78 H +ATOM 94 HG3 GLN B 306 7.588 2.108 12.502 1.00 1.76 H +ATOM 95 HE21 GLN B 306 7.995 2.398 14.684 1.00 2.59 H +ATOM 96 HE22 GLN B 306 8.554 3.900 15.331 1.00 2.78 H +ATOM 97 N ARG B 307 6.096 5.692 9.490 1.00 1.01 N +ATOM 98 CA ARG B 307 5.333 6.923 9.288 1.00 1.01 C +ATOM 99 C ARG B 307 4.432 6.797 8.064 1.00 0.82 C +ATOM 100 O ARG B 307 3.261 7.178 8.093 1.00 0.79 O +ATOM 101 CB ARG B 307 6.278 8.115 9.123 1.00 1.25 C +ATOM 102 CG ARG B 307 5.597 9.462 9.302 1.00 1.41 C +ATOM 103 CD ARG B 307 6.611 10.588 9.413 1.00 2.02 C +ATOM 104 NE ARG B 307 6.145 11.663 10.286 1.00 2.64 N +ATOM 105 CZ ARG B 307 6.651 12.895 10.284 1.00 3.22 C +ATOM 106 NH1 ARG B 307 7.637 13.218 9.455 1.00 3.46 N +ATOM 107 NH2 ARG B 307 6.169 13.809 11.115 1.00 4.03 N +ATOM 108 H ARG B 307 7.075 5.707 9.379 1.00 1.10 H +ATOM 109 HA ARG B 307 4.716 7.080 10.161 1.00 1.03 H +ATOM 110 HB2 ARG B 307 7.069 8.036 9.854 1.00 1.68 H +ATOM 111 HB3 ARG B 307 6.710 8.083 8.134 1.00 1.50 H +ATOM 112 HG2 ARG B 307 4.959 9.648 8.451 1.00 1.72 H +ATOM 113 HG3 ARG B 307 5.001 9.436 10.203 1.00 1.91 H +ATOM 114 HD2 ARG B 307 7.532 10.188 9.812 1.00 2.41 H +ATOM 115 HD3 ARG B 307 6.792 10.990 8.427 1.00 2.47 H +ATOM 116 HE ARG B 307 5.417 11.456 10.907 1.00 3.01 H +ATOM 117 HH11 ARG B 307 8.008 12.537 8.824 1.00 3.29 H +ATOM 118 HH12 ARG B 307 8.010 14.146 9.461 1.00 4.10 H +ATOM 119 HH21 ARG B 307 5.427 13.573 11.742 1.00 4.34 H +ATOM 120 HH22 ARG B 307 6.549 14.734 11.115 1.00 4.54 H +ATOM 121 N TYR B 308 4.998 6.247 6.998 1.00 0.79 N +ATOM 122 CA TYR B 308 4.289 6.033 5.742 1.00 0.72 C +ATOM 123 C TYR B 308 2.890 5.475 5.994 1.00 0.64 C +ATOM 124 O TYR B 308 1.900 5.981 5.464 1.00 0.65 O +ATOM 125 CB TYR B 308 5.104 5.064 4.884 1.00 0.79 C +ATOM 126 CG TYR B 308 4.605 4.878 3.472 1.00 0.54 C +ATOM 127 CD1 TYR B 308 3.630 5.705 2.930 1.00 0.84 C +ATOM 128 CD2 TYR B 308 5.130 3.869 2.676 1.00 0.63 C +ATOM 129 CE1 TYR B 308 3.189 5.526 1.631 1.00 0.73 C +ATOM 130 CE2 TYR B 308 4.698 3.685 1.378 1.00 0.67 C +ATOM 131 CZ TYR B 308 3.725 4.516 0.861 1.00 0.40 C +ATOM 132 OH TYR B 308 3.286 4.336 -0.430 1.00 0.58 O +ATOM 133 H TYR B 308 5.933 5.964 7.060 1.00 0.87 H +ATOM 134 HA TYR B 308 4.208 6.980 5.231 1.00 0.81 H +ATOM 135 HB2 TYR B 308 6.116 5.429 4.819 1.00 0.92 H +ATOM 136 HB3 TYR B 308 5.110 4.095 5.362 1.00 1.00 H +ATOM 137 HD1 TYR B 308 3.214 6.495 3.536 1.00 1.32 H +ATOM 138 HD2 TYR B 308 5.885 3.216 3.090 1.00 1.02 H +ATOM 139 HE1 TYR B 308 2.429 6.177 1.224 1.00 1.13 H +ATOM 140 HE2 TYR B 308 5.120 2.889 0.776 1.00 1.14 H +ATOM 141 HH TYR B 308 2.327 4.303 -0.441 1.00 0.87 H +ATOM 142 N GLY B 309 2.819 4.433 6.816 1.00 0.66 N +ATOM 143 CA GLY B 309 1.543 3.824 7.136 1.00 0.72 C +ATOM 144 C GLY B 309 0.677 4.723 7.995 1.00 0.67 C +ATOM 145 O GLY B 309 -0.528 4.830 7.772 1.00 0.75 O +ATOM 146 H GLY B 309 3.642 4.079 7.214 1.00 0.70 H +ATOM 147 HA2 GLY B 309 1.019 3.607 6.217 1.00 0.77 H +ATOM 148 HA3 GLY B 309 1.720 2.900 7.666 1.00 0.81 H +ATOM 149 N ARG B 310 1.291 5.372 8.980 1.00 0.64 N +ATOM 150 CA ARG B 310 0.564 6.269 9.871 1.00 0.68 C +ATOM 151 C ARG B 310 -0.212 7.311 9.071 1.00 0.61 C +ATOM 152 O ARG B 310 -1.423 7.464 9.238 1.00 0.60 O +ATOM 153 CB ARG B 310 1.530 6.962 10.834 1.00 0.78 C +ATOM 154 CG ARG B 310 0.878 7.410 12.132 1.00 1.00 C +ATOM 155 CD ARG B 310 1.866 8.135 13.032 1.00 1.37 C +ATOM 156 NE ARG B 310 1.289 8.451 14.336 1.00 1.77 N +ATOM 157 CZ ARG B 310 1.972 9.001 15.338 1.00 2.31 C +ATOM 158 NH1 ARG B 310 3.258 9.299 15.195 1.00 2.80 N +ATOM 159 NH2 ARG B 310 1.366 9.255 16.490 1.00 2.95 N +ATOM 160 H ARG B 310 2.256 5.247 9.108 1.00 0.66 H +ATOM 161 HA ARG B 310 -0.135 5.675 10.440 1.00 0.78 H +ATOM 162 HB2 ARG B 310 2.331 6.278 11.077 1.00 0.98 H +ATOM 163 HB3 ARG B 310 1.946 7.831 10.346 1.00 0.95 H +ATOM 164 HG2 ARG B 310 0.061 8.078 11.901 1.00 1.46 H +ATOM 165 HG3 ARG B 310 0.500 6.542 12.652 1.00 1.28 H +ATOM 166 HD2 ARG B 310 2.731 7.505 13.175 1.00 1.66 H +ATOM 167 HD3 ARG B 310 2.167 9.053 12.549 1.00 1.96 H +ATOM 168 HE ARG B 310 0.341 8.243 14.473 1.00 2.18 H +ATOM 169 HH11 ARG B 310 3.725 9.112 14.331 1.00 2.82 H +ATOM 170 HH12 ARG B 310 3.762 9.712 15.954 1.00 3.46 H +ATOM 171 HH21 ARG B 310 0.398 9.033 16.606 1.00 3.22 H +ATOM 172 HH22 ARG B 310 1.877 9.668 17.244 1.00 3.43 H +ATOM 173 N GLU B 311 0.493 8.022 8.197 1.00 0.63 N +ATOM 174 CA GLU B 311 -0.130 9.045 7.368 1.00 0.69 C +ATOM 175 C GLU B 311 -1.280 8.454 6.561 1.00 0.65 C +ATOM 176 O GLU B 311 -2.356 9.046 6.468 1.00 0.74 O +ATOM 177 CB GLU B 311 0.903 9.670 6.427 1.00 0.80 C +ATOM 178 CG GLU B 311 0.769 11.178 6.293 1.00 0.95 C +ATOM 179 CD GLU B 311 2.108 11.870 6.131 1.00 1.28 C +ATOM 180 OE1 GLU B 311 3.110 11.171 5.869 1.00 1.99 O +ATOM 181 OE2 GLU B 311 2.155 13.111 6.265 1.00 1.88 O +ATOM 182 H GLU B 311 1.454 7.852 8.106 1.00 0.67 H +ATOM 183 HA GLU B 311 -0.520 9.811 8.022 1.00 0.74 H +ATOM 184 HB2 GLU B 311 1.892 9.450 6.800 1.00 1.23 H +ATOM 185 HB3 GLU B 311 0.791 9.232 5.447 1.00 1.09 H +ATOM 186 HG2 GLU B 311 0.161 11.398 5.429 1.00 1.54 H +ATOM 187 HG3 GLU B 311 0.286 11.564 7.179 1.00 1.51 H +ATOM 188 N LEU B 312 -1.047 7.281 5.982 1.00 0.60 N +ATOM 189 CA LEU B 312 -2.066 6.606 5.186 1.00 0.65 C +ATOM 190 C LEU B 312 -3.272 6.238 6.045 1.00 0.62 C +ATOM 191 O LEU B 312 -4.403 6.199 5.560 1.00 0.65 O +ATOM 192 CB LEU B 312 -1.484 5.347 4.538 1.00 0.75 C +ATOM 193 CG LEU B 312 -1.759 5.198 3.040 1.00 1.38 C +ATOM 194 CD1 LEU B 312 -3.225 4.876 2.796 1.00 2.06 C +ATOM 195 CD2 LEU B 312 -1.356 6.462 2.295 1.00 2.08 C +ATOM 196 H LEU B 312 -0.169 6.857 6.094 1.00 0.58 H +ATOM 197 HA LEU B 312 -2.385 7.286 4.410 1.00 0.72 H +ATOM 198 HB2 LEU B 312 -0.413 5.355 4.687 1.00 0.89 H +ATOM 199 HB3 LEU B 312 -1.894 4.486 5.043 1.00 1.03 H +ATOM 200 HG LEU B 312 -1.170 4.380 2.654 1.00 2.00 H +ATOM 201 HD11 LEU B 312 -3.364 3.805 2.800 1.00 2.44 H +ATOM 202 HD12 LEU B 312 -3.526 5.274 1.838 1.00 2.37 H +ATOM 203 HD13 LEU B 312 -3.826 5.321 3.575 1.00 2.70 H +ATOM 204 HD21 LEU B 312 -2.135 7.204 2.397 1.00 2.63 H +ATOM 205 HD22 LEU B 312 -1.213 6.232 1.249 1.00 2.51 H +ATOM 206 HD23 LEU B 312 -0.436 6.847 2.709 1.00 2.48 H +ATOM 207 N ARG B 313 -3.023 5.969 7.324 1.00 0.61 N +ATOM 208 CA ARG B 313 -4.088 5.605 8.251 1.00 0.65 C +ATOM 209 C ARG B 313 -5.103 6.735 8.387 1.00 0.61 C +ATOM 210 O ARG B 313 -6.303 6.528 8.211 1.00 0.63 O +ATOM 211 CB ARG B 313 -3.505 5.261 9.623 1.00 0.71 C +ATOM 212 CG ARG B 313 -4.538 4.747 10.613 1.00 0.88 C +ATOM 213 CD ARG B 313 -4.493 5.524 11.919 1.00 1.33 C +ATOM 214 NE ARG B 313 -5.012 4.742 13.039 1.00 1.38 N +ATOM 215 CZ ARG B 313 -4.942 5.129 14.312 1.00 1.75 C +ATOM 216 NH1 ARG B 313 -4.374 6.285 14.635 1.00 2.34 N +ATOM 217 NH2 ARG B 313 -5.441 4.355 15.266 1.00 2.35 N +ATOM 218 H ARG B 313 -2.101 6.017 7.651 1.00 0.61 H +ATOM 219 HA ARG B 313 -4.589 4.734 7.854 1.00 0.72 H +ATOM 220 HB2 ARG B 313 -2.748 4.501 9.499 1.00 0.85 H +ATOM 221 HB3 ARG B 313 -3.049 6.146 10.040 1.00 1.01 H +ATOM 222 HG2 ARG B 313 -5.521 4.851 10.178 1.00 1.29 H +ATOM 223 HG3 ARG B 313 -4.340 3.705 10.816 1.00 1.25 H +ATOM 224 HD2 ARG B 313 -3.468 5.795 12.126 1.00 1.89 H +ATOM 225 HD3 ARG B 313 -5.087 6.420 11.811 1.00 2.01 H +ATOM 226 HE ARG B 313 -5.435 3.883 12.832 1.00 1.89 H +ATOM 227 HH11 ARG B 313 -3.994 6.876 13.924 1.00 2.49 H +ATOM 228 HH12 ARG B 313 -4.327 6.566 15.594 1.00 2.99 H +ATOM 229 HH21 ARG B 313 -5.869 3.483 15.029 1.00 2.68 H +ATOM 230 HH22 ARG B 313 -5.389 4.644 16.222 1.00 2.82 H +ATOM 231 N ARG B 314 -4.612 7.931 8.700 1.00 0.58 N +ATOM 232 CA ARG B 314 -5.479 9.094 8.858 1.00 0.58 C +ATOM 233 C ARG B 314 -6.443 9.213 7.682 1.00 0.52 C +ATOM 234 O ARG B 314 -7.663 9.193 7.858 1.00 0.51 O +ATOM 235 CB ARG B 314 -4.641 10.369 8.978 1.00 0.61 C +ATOM 236 CG ARG B 314 -5.267 11.425 9.875 1.00 1.23 C +ATOM 237 CD ARG B 314 -4.234 12.433 10.353 1.00 1.57 C +ATOM 238 NE ARG B 314 -4.835 13.484 11.172 1.00 1.94 N +ATOM 239 CZ ARG B 314 -4.135 14.408 11.828 1.00 2.60 C +ATOM 240 NH1 ARG B 314 -2.808 14.418 11.767 1.00 3.14 N +ATOM 241 NH2 ARG B 314 -4.765 15.326 12.548 1.00 3.26 N +ATOM 242 H ARG B 314 -3.644 8.033 8.828 1.00 0.59 H +ATOM 243 HA ARG B 314 -6.050 8.961 9.765 1.00 0.63 H +ATOM 244 HB2 ARG B 314 -3.673 10.113 9.381 1.00 0.94 H +ATOM 245 HB3 ARG B 314 -4.511 10.794 7.994 1.00 1.09 H +ATOM 246 HG2 ARG B 314 -6.033 11.946 9.321 1.00 1.92 H +ATOM 247 HG3 ARG B 314 -5.707 10.939 10.733 1.00 1.87 H +ATOM 248 HD2 ARG B 314 -3.489 11.916 10.939 1.00 2.11 H +ATOM 249 HD3 ARG B 314 -3.765 12.885 9.492 1.00 2.08 H +ATOM 250 HE ARG B 314 -5.813 13.503 11.236 1.00 2.25 H +ATOM 251 HH11 ARG B 314 -2.324 13.731 11.227 1.00 3.13 H +ATOM 252 HH12 ARG B 314 -2.292 15.117 12.263 1.00 3.85 H +ATOM 253 HH21 ARG B 314 -5.763 15.324 12.598 1.00 3.46 H +ATOM 254 HH22 ARG B 314 -4.241 16.021 13.041 1.00 3.83 H +ATOM 255 N MET B 315 -5.888 9.331 6.480 1.00 0.49 N +ATOM 256 CA MET B 315 -6.699 9.447 5.276 1.00 0.45 C +ATOM 257 C MET B 315 -7.762 8.354 5.240 1.00 0.40 C +ATOM 258 O MET B 315 -8.863 8.562 4.733 1.00 0.40 O +ATOM 259 CB MET B 315 -5.817 9.361 4.030 1.00 0.46 C +ATOM 260 CG MET B 315 -5.245 10.701 3.596 1.00 0.56 C +ATOM 261 SD MET B 315 -3.532 10.579 3.046 1.00 1.30 S +ATOM 262 CE MET B 315 -2.718 11.644 4.234 1.00 1.22 C +ATOM 263 H MET B 315 -4.911 9.337 6.402 1.00 0.52 H +ATOM 264 HA MET B 315 -7.189 10.409 5.296 1.00 0.47 H +ATOM 265 HB2 MET B 315 -4.994 8.691 4.230 1.00 0.51 H +ATOM 266 HB3 MET B 315 -6.403 8.964 3.214 1.00 0.51 H +ATOM 267 HG2 MET B 315 -5.842 11.086 2.783 1.00 1.01 H +ATOM 268 HG3 MET B 315 -5.293 11.385 4.431 1.00 1.14 H +ATOM 269 HE1 MET B 315 -2.125 11.044 4.909 1.00 1.50 H +ATOM 270 HE2 MET B 315 -3.461 12.191 4.796 1.00 1.85 H +ATOM 271 HE3 MET B 315 -2.076 12.340 3.713 1.00 1.64 H +ATOM 272 N SER B 316 -7.423 7.190 5.788 1.00 0.39 N +ATOM 273 CA SER B 316 -8.348 6.063 5.825 1.00 0.37 C +ATOM 274 C SER B 316 -9.574 6.400 6.667 1.00 0.38 C +ATOM 275 O SER B 316 -10.710 6.257 6.213 1.00 0.36 O +ATOM 276 CB SER B 316 -7.652 4.823 6.389 1.00 0.41 C +ATOM 277 OG SER B 316 -8.113 4.529 7.697 1.00 1.28 O +ATOM 278 H SER B 316 -6.531 7.088 6.180 1.00 0.43 H +ATOM 279 HA SER B 316 -8.665 5.859 4.813 1.00 0.34 H +ATOM 280 HB2 SER B 316 -7.856 3.976 5.751 1.00 0.95 H +ATOM 281 HB3 SER B 316 -6.586 4.996 6.426 1.00 1.04 H +ATOM 282 HG SER B 316 -7.361 4.393 8.278 1.00 1.77 H +ATOM 283 N ASP B 317 -9.333 6.855 7.895 1.00 0.43 N +ATOM 284 CA ASP B 317 -10.417 7.220 8.800 1.00 0.47 C +ATOM 285 C ASP B 317 -11.423 8.117 8.090 1.00 0.46 C +ATOM 286 O ASP B 317 -12.634 7.925 8.207 1.00 0.48 O +ATOM 287 CB ASP B 317 -9.861 7.932 10.035 1.00 0.53 C +ATOM 288 CG ASP B 317 -10.773 7.799 11.239 1.00 1.11 C +ATOM 289 OD1 ASP B 317 -11.972 8.128 11.115 1.00 1.80 O +ATOM 290 OD2 ASP B 317 -10.289 7.365 12.305 1.00 1.76 O +ATOM 291 H ASP B 317 -8.406 6.950 8.196 1.00 0.46 H +ATOM 292 HA ASP B 317 -10.913 6.312 9.108 1.00 0.48 H +ATOM 293 HB2 ASP B 317 -8.901 7.507 10.286 1.00 0.81 H +ATOM 294 HB3 ASP B 317 -9.739 8.982 9.813 1.00 0.75 H +ATOM 295 N GLU B 318 -10.912 9.091 7.345 1.00 0.44 N +ATOM 296 CA GLU B 318 -11.764 10.013 6.605 1.00 0.46 C +ATOM 297 C GLU B 318 -12.264 9.368 5.314 1.00 0.41 C +ATOM 298 O GLU B 318 -13.357 9.673 4.837 1.00 0.43 O +ATOM 299 CB GLU B 318 -11.002 11.300 6.285 1.00 0.50 C +ATOM 300 CG GLU B 318 -11.423 12.484 7.140 1.00 1.00 C +ATOM 301 CD GLU B 318 -11.085 13.816 6.499 1.00 1.65 C +ATOM 302 OE1 GLU B 318 -10.219 13.838 5.598 1.00 2.28 O +ATOM 303 OE2 GLU B 318 -11.685 14.836 6.897 1.00 2.36 O +ATOM 304 H GLU B 318 -9.936 9.188 7.287 1.00 0.44 H +ATOM 305 HA GLU B 318 -12.614 10.252 7.227 1.00 0.51 H +ATOM 306 HB2 GLU B 318 -9.947 11.128 6.441 1.00 0.81 H +ATOM 307 HB3 GLU B 318 -11.167 11.555 5.249 1.00 0.81 H +ATOM 308 HG2 GLU B 318 -12.490 12.439 7.296 1.00 1.66 H +ATOM 309 HG3 GLU B 318 -10.918 12.422 8.093 1.00 1.38 H +ATOM 310 N PHE B 319 -11.453 8.473 4.756 1.00 0.35 N +ATOM 311 CA PHE B 319 -11.804 7.778 3.522 1.00 0.31 C +ATOM 312 C PHE B 319 -13.215 7.205 3.605 1.00 0.33 C +ATOM 313 O PHE B 319 -13.986 7.285 2.649 1.00 0.43 O +ATOM 314 CB PHE B 319 -10.793 6.658 3.254 1.00 0.28 C +ATOM 315 CG PHE B 319 -10.891 6.033 1.887 1.00 0.29 C +ATOM 316 CD1 PHE B 319 -11.333 6.760 0.789 1.00 0.42 C +ATOM 317 CD2 PHE B 319 -10.523 4.709 1.701 1.00 0.28 C +ATOM 318 CE1 PHE B 319 -11.407 6.176 -0.462 1.00 0.51 C +ATOM 319 CE2 PHE B 319 -10.592 4.122 0.453 1.00 0.34 C +ATOM 320 CZ PHE B 319 -11.035 4.856 -0.631 1.00 0.45 C +ATOM 321 H PHE B 319 -10.595 8.274 5.185 1.00 0.35 H +ATOM 322 HA PHE B 319 -11.762 8.494 2.718 1.00 0.34 H +ATOM 323 HB2 PHE B 319 -9.796 7.055 3.359 1.00 0.33 H +ATOM 324 HB3 PHE B 319 -10.938 5.876 3.986 1.00 0.29 H +ATOM 325 HD1 PHE B 319 -11.625 7.790 0.914 1.00 0.50 H +ATOM 326 HD2 PHE B 319 -10.179 4.132 2.547 1.00 0.31 H +ATOM 327 HE1 PHE B 319 -11.753 6.751 -1.307 1.00 0.65 H +ATOM 328 HE2 PHE B 319 -10.300 3.090 0.326 1.00 0.37 H +ATOM 329 HZ PHE B 319 -11.089 4.401 -1.610 1.00 0.54 H +ATOM 330 N VAL B 320 -13.547 6.631 4.758 1.00 0.32 N +ATOM 331 CA VAL B 320 -14.868 6.048 4.969 1.00 0.34 C +ATOM 332 C VAL B 320 -15.666 6.853 5.989 1.00 0.45 C +ATOM 333 O VAL B 320 -15.098 7.461 6.896 1.00 0.79 O +ATOM 334 CB VAL B 320 -14.770 4.590 5.452 1.00 0.38 C +ATOM 335 CG1 VAL B 320 -13.439 3.979 5.042 1.00 1.04 C +ATOM 336 CG2 VAL B 320 -14.958 4.513 6.960 1.00 1.24 C +ATOM 337 H VAL B 320 -12.889 6.601 5.484 1.00 0.36 H +ATOM 338 HA VAL B 320 -15.393 6.059 4.025 1.00 0.35 H +ATOM 339 HB VAL B 320 -15.560 4.023 4.983 1.00 0.94 H +ATOM 340 HG11 VAL B 320 -13.453 2.917 5.243 1.00 1.57 H +ATOM 341 HG12 VAL B 320 -12.642 4.441 5.606 1.00 1.68 H +ATOM 342 HG13 VAL B 320 -13.276 4.143 3.988 1.00 1.63 H +ATOM 343 HG21 VAL B 320 -14.647 3.541 7.312 1.00 1.73 H +ATOM 344 HG22 VAL B 320 -16.000 4.666 7.200 1.00 1.66 H +ATOM 345 HG23 VAL B 320 -14.363 5.277 7.436 1.00 1.89 H +ATOM 346 N ASP B 321 -16.987 6.853 5.835 1.00 0.43 N +ATOM 347 CA ASP B 321 -17.862 7.583 6.745 1.00 0.49 C +ATOM 348 C ASP B 321 -19.323 7.451 6.324 1.00 0.62 C +ATOM 349 O ASP B 321 -20.214 7.343 7.166 1.00 1.27 O +ATOM 350 CB ASP B 321 -17.467 9.061 6.793 1.00 0.64 C +ATOM 351 CG ASP B 321 -17.471 9.615 8.204 1.00 1.23 C +ATOM 352 OD1 ASP B 321 -17.241 8.832 9.149 1.00 1.97 O +ATOM 353 OD2 ASP B 321 -17.704 10.831 8.364 1.00 1.94 O +ATOM 354 H ASP B 321 -17.382 6.349 5.093 1.00 0.61 H +ATOM 355 HA ASP B 321 -17.745 7.157 7.730 1.00 0.56 H +ATOM 356 HB2 ASP B 321 -16.475 9.177 6.383 1.00 1.19 H +ATOM 357 HB3 ASP B 321 -18.166 9.633 6.199 1.00 1.03 H +ATOM 358 N SER B 322 -19.562 7.463 5.016 1.00 0.58 N +ATOM 359 CA SER B 322 -20.916 7.348 4.487 1.00 0.60 C +ATOM 360 C SER B 322 -21.231 5.908 4.094 1.00 0.54 C +ATOM 361 O SER B 322 -22.306 5.392 4.401 1.00 0.71 O +ATOM 362 CB SER B 322 -21.093 8.269 3.278 1.00 0.75 C +ATOM 363 OG SER B 322 -20.866 9.622 3.630 1.00 1.39 O +ATOM 364 H SER B 322 -18.811 7.555 4.393 1.00 1.02 H +ATOM 365 HA SER B 322 -21.602 7.654 5.263 1.00 0.66 H +ATOM 366 HB2 SER B 322 -20.391 7.987 2.508 1.00 1.24 H +ATOM 367 HB3 SER B 322 -22.100 8.172 2.899 1.00 1.30 H +ATOM 368 HG SER B 322 -20.573 10.110 2.856 1.00 1.73 H +ATOM 369 N PHE B 323 -20.291 5.265 3.410 1.00 0.44 N +ATOM 370 CA PHE B 323 -20.474 3.885 2.974 1.00 0.44 C +ATOM 371 C PHE B 323 -20.855 2.990 4.148 1.00 0.53 C +ATOM 372 O PHE B 323 -21.801 2.208 4.064 1.00 1.00 O +ATOM 373 CB PHE B 323 -19.199 3.357 2.311 1.00 0.47 C +ATOM 374 CG PHE B 323 -18.606 4.293 1.293 1.00 0.42 C +ATOM 375 CD1 PHE B 323 -19.364 5.309 0.730 1.00 1.23 C +ATOM 376 CD2 PHE B 323 -17.284 4.154 0.901 1.00 1.28 C +ATOM 377 CE1 PHE B 323 -18.813 6.166 -0.204 1.00 1.24 C +ATOM 378 CE2 PHE B 323 -16.729 5.007 -0.032 1.00 1.28 C +ATOM 379 CZ PHE B 323 -17.494 6.014 -0.585 1.00 0.43 C +ATOM 380 H PHE B 323 -19.455 5.729 3.192 1.00 0.49 H +ATOM 381 HA PHE B 323 -21.276 3.870 2.251 1.00 0.46 H +ATOM 382 HB2 PHE B 323 -18.454 3.182 3.071 1.00 0.57 H +ATOM 383 HB3 PHE B 323 -19.423 2.424 1.814 1.00 0.51 H +ATOM 384 HD1 PHE B 323 -20.395 5.429 1.024 1.00 2.13 H +ATOM 385 HD2 PHE B 323 -16.685 3.367 1.332 1.00 2.18 H +ATOM 386 HE1 PHE B 323 -19.412 6.954 -0.633 1.00 2.14 H +ATOM 387 HE2 PHE B 323 -15.698 4.887 -0.328 1.00 2.18 H +ATOM 388 HZ PHE B 323 -17.061 6.682 -1.315 1.00 0.46 H +ATOM 389 N LYS B 324 -20.110 3.109 5.242 1.00 0.79 N +ATOM 390 CA LYS B 324 -20.369 2.310 6.434 1.00 0.85 C +ATOM 391 C LYS B 324 -21.635 2.782 7.142 1.00 0.92 C +ATOM 392 O LYS B 324 -21.825 3.978 7.364 1.00 1.45 O +ATOM 393 CB LYS B 324 -19.178 2.384 7.392 1.00 0.99 C +ATOM 394 CG LYS B 324 -18.881 3.790 7.888 1.00 0.96 C +ATOM 395 CD LYS B 324 -17.803 3.787 8.959 1.00 1.74 C +ATOM 396 CE LYS B 324 -18.294 3.137 10.242 1.00 2.16 C +ATOM 397 NZ LYS B 324 -17.309 3.281 11.350 1.00 2.91 N +ATOM 398 H LYS B 324 -19.368 3.750 5.248 1.00 1.21 H +ATOM 399 HA LYS B 324 -20.506 1.286 6.123 1.00 0.88 H +ATOM 400 HB2 LYS B 324 -19.381 1.758 8.249 1.00 1.54 H +ATOM 401 HB3 LYS B 324 -18.300 2.011 6.886 1.00 1.47 H +ATOM 402 HG2 LYS B 324 -18.547 4.391 7.056 1.00 1.07 H +ATOM 403 HG3 LYS B 324 -19.785 4.213 8.301 1.00 1.40 H +ATOM 404 HD2 LYS B 324 -16.948 3.238 8.594 1.00 2.20 H +ATOM 405 HD3 LYS B 324 -17.515 4.807 9.169 1.00 2.25 H +ATOM 406 HE2 LYS B 324 -19.222 3.604 10.535 1.00 2.48 H +ATOM 407 HE3 LYS B 324 -18.463 2.087 10.057 1.00 2.30 H +ATOM 408 HZ1 LYS B 324 -17.423 2.505 12.033 1.00 3.27 H +ATOM 409 HZ2 LYS B 324 -17.454 4.186 11.842 1.00 3.27 H +ATOM 410 HZ3 LYS B 324 -16.340 3.257 10.972 1.00 3.32 H +ATOM 411 N LYS B 325 -22.498 1.835 7.495 1.00 1.52 N +ATOM 412 CA LYS B 325 -23.746 2.153 8.178 1.00 1.71 C +ATOM 413 C LYS B 325 -24.718 2.856 7.236 1.00 2.33 C +ATOM 414 O LYS B 325 -24.254 3.666 6.405 1.00 2.95 O +ATOM 415 CB LYS B 325 -23.473 3.035 9.398 1.00 2.35 C +ATOM 416 CG LYS B 325 -24.580 2.992 10.439 1.00 2.90 C +ATOM 417 CD LYS B 325 -25.623 4.068 10.186 1.00 3.59 C +ATOM 418 CE LYS B 325 -26.977 3.675 10.754 1.00 4.49 C +ATOM 419 NZ LYS B 325 -27.790 4.865 11.129 1.00 5.48 N +ATOM 420 OXT LYS B 325 -25.934 2.590 7.335 1.00 2.93 O +ATOM 421 H LYS B 325 -22.290 0.899 7.291 1.00 2.18 H +ATOM 422 HA LYS B 325 -24.190 1.226 8.507 1.00 1.86 H +ATOM 423 HB2 LYS B 325 -22.556 2.708 9.866 1.00 2.83 H +ATOM 424 HB3 LYS B 325 -23.355 4.057 9.070 1.00 2.79 H +ATOM 425 HG2 LYS B 325 -25.059 2.025 10.401 1.00 3.25 H +ATOM 426 HG3 LYS B 325 -24.147 3.144 11.417 1.00 3.19 H +ATOM 427 HD2 LYS B 325 -25.301 4.986 10.655 1.00 3.74 H +ATOM 428 HD3 LYS B 325 -25.720 4.220 9.121 1.00 3.80 H +ATOM 429 HE2 LYS B 325 -27.513 3.104 10.011 1.00 4.53 H +ATOM 430 HE3 LYS B 325 -26.822 3.065 11.632 1.00 4.79 H +ATOM 431 HZ1 LYS B 325 -27.217 5.527 11.690 1.00 5.92 H +ATOM 432 HZ2 LYS B 325 -28.613 4.574 11.692 1.00 5.79 H +ATOM 433 HZ3 LYS B 325 -28.125 5.353 10.273 1.00 5.75 H +TER 434 LYS B 325 +END diff --git a/bench/main_benchmark/structures/SFB_ID_BID_1DDBA_1DDBA/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_BID_1DDBA_1DDBA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a722696b1fb26c997d362cca9f9d312435fb5266 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_BID_1DDBA_1DDBA/state_a.pdb @@ -0,0 +1,2995 @@ +MODEL 1 +ATOM 1 N MET A 1 37.333 3.085 -17.325 1.00 0.00 N +ATOM 2 CA MET A 1 36.101 3.368 -16.610 1.00 0.00 C +ATOM 3 C MET A 1 34.889 3.247 -17.537 1.00 0.00 C +ATOM 4 O MET A 1 34.902 3.765 -18.652 1.00 0.00 O +ATOM 5 CB MET A 1 36.160 4.782 -16.029 1.00 0.00 C +ATOM 6 CG MET A 1 36.274 5.827 -17.141 1.00 0.00 C +ATOM 7 SD MET A 1 36.868 7.371 -16.470 1.00 0.00 S +ATOM 8 CE MET A 1 35.859 8.519 -17.391 1.00 0.00 C +ATOM 9 H MET A 1 37.220 2.871 -18.295 1.00 0.00 H +ATOM 10 HA MET A 1 36.040 2.617 -15.822 1.00 0.00 H +ATOM 11 HB2 MET A 1 35.266 4.973 -15.436 1.00 0.00 H +ATOM 12 HB3 MET A 1 37.013 4.867 -15.357 1.00 0.00 H +ATOM 13 HG2 MET A 1 36.953 5.473 -17.916 1.00 0.00 H +ATOM 14 HG3 MET A 1 35.302 5.976 -17.612 1.00 0.00 H +ATOM 15 HE1 MET A 1 34.903 8.052 -17.630 1.00 0.00 H +ATOM 16 HE2 MET A 1 35.687 9.413 -16.793 1.00 0.00 H +ATOM 17 HE3 MET A 1 36.370 8.792 -18.315 1.00 0.00 H +ATOM 18 N ASP A 2 33.871 2.559 -17.041 1.00 0.00 N +ATOM 19 CA ASP A 2 32.654 2.364 -17.810 1.00 0.00 C +ATOM 20 C ASP A 2 31.782 1.313 -17.119 1.00 0.00 C +ATOM 21 O ASP A 2 32.247 0.215 -16.820 1.00 0.00 O +ATOM 22 CB ASP A 2 32.969 1.863 -19.221 1.00 0.00 C +ATOM 23 CG ASP A 2 31.829 1.111 -19.910 1.00 0.00 C +ATOM 24 OD1 ASP A 2 30.890 1.722 -20.441 1.00 0.00 O +ATOM 25 OD2 ASP A 2 31.932 -0.175 -19.888 1.00 0.00 O +ATOM 26 H ASP A 2 33.869 2.141 -16.132 1.00 0.00 H +ATOM 27 HA ASP A 2 32.178 3.343 -17.846 1.00 0.00 H +ATOM 28 HB2 ASP A 2 33.248 2.716 -19.840 1.00 0.00 H +ATOM 29 HB3 ASP A 2 33.839 1.208 -19.172 1.00 0.00 H +ATOM 30 N SER A 3 30.533 1.688 -16.886 1.00 0.00 N +ATOM 31 CA SER A 3 29.592 0.792 -16.236 1.00 0.00 C +ATOM 32 C SER A 3 28.261 1.511 -16.002 1.00 0.00 C +ATOM 33 O SER A 3 28.233 2.606 -15.444 1.00 0.00 O +ATOM 34 CB SER A 3 30.153 0.271 -14.912 1.00 0.00 C +ATOM 35 OG SER A 3 30.563 -1.091 -15.005 1.00 0.00 O +ATOM 36 H SER A 3 30.163 2.584 -17.132 1.00 0.00 H +ATOM 37 HA SER A 3 29.461 -0.040 -16.927 1.00 0.00 H +ATOM 38 HB2 SER A 3 31.001 0.885 -14.610 1.00 0.00 H +ATOM 39 HB3 SER A 3 29.396 0.369 -14.133 1.00 0.00 H +ATOM 40 HG SER A 3 29.923 -1.676 -14.507 1.00 0.00 H +ATOM 41 N GLU A 4 27.191 0.864 -16.441 1.00 0.00 N +ATOM 42 CA GLU A 4 25.861 1.428 -16.287 1.00 0.00 C +ATOM 43 C GLU A 4 24.823 0.531 -16.965 1.00 0.00 C +ATOM 44 O GLU A 4 24.899 0.288 -18.168 1.00 0.00 O +ATOM 45 CB GLU A 4 25.801 2.852 -16.842 1.00 0.00 C +ATOM 46 CG GLU A 4 26.596 2.967 -18.144 1.00 0.00 C +ATOM 47 CD GLU A 4 26.398 4.341 -18.788 1.00 0.00 C +ATOM 48 OE1 GLU A 4 25.419 5.036 -18.477 1.00 0.00 O +ATOM 49 OE2 GLU A 4 27.306 4.681 -19.639 1.00 0.00 O +ATOM 50 H GLU A 4 27.223 -0.027 -16.894 1.00 0.00 H +ATOM 51 HA GLU A 4 25.681 1.455 -15.212 1.00 0.00 H +ATOM 52 HB2 GLU A 4 24.763 3.134 -17.019 1.00 0.00 H +ATOM 53 HB3 GLU A 4 26.200 3.550 -16.106 1.00 0.00 H +ATOM 54 HG2 GLU A 4 27.655 2.805 -17.944 1.00 0.00 H +ATOM 55 HG3 GLU A 4 26.279 2.188 -18.838 1.00 0.00 H +ATOM 56 N VAL A 5 23.877 0.064 -16.163 1.00 0.00 N +ATOM 57 CA VAL A 5 22.825 -0.800 -16.671 1.00 0.00 C +ATOM 58 C VAL A 5 21.692 -0.873 -15.645 1.00 0.00 C +ATOM 59 O VAL A 5 21.936 -0.822 -14.441 1.00 0.00 O +ATOM 60 CB VAL A 5 23.401 -2.173 -17.025 1.00 0.00 C +ATOM 61 CG1 VAL A 5 23.890 -2.901 -15.772 1.00 0.00 C +ATOM 62 CG2 VAL A 5 22.377 -3.017 -17.785 1.00 0.00 C +ATOM 63 H VAL A 5 23.822 0.267 -15.186 1.00 0.00 H +ATOM 64 HA VAL A 5 22.442 -0.349 -17.586 1.00 0.00 H +ATOM 65 HB VAL A 5 24.259 -2.018 -17.679 1.00 0.00 H +ATOM 66 HG11 VAL A 5 23.161 -2.776 -14.971 1.00 0.00 H +ATOM 67 HG12 VAL A 5 24.010 -3.962 -15.992 1.00 0.00 H +ATOM 68 HG13 VAL A 5 24.848 -2.485 -15.460 1.00 0.00 H +ATOM 69 HG21 VAL A 5 21.387 -2.862 -17.356 1.00 0.00 H +ATOM 70 HG22 VAL A 5 22.368 -2.720 -18.834 1.00 0.00 H +ATOM 71 HG23 VAL A 5 22.645 -4.071 -17.708 1.00 0.00 H +ATOM 72 N SER A 6 20.477 -0.991 -16.161 1.00 0.00 N +ATOM 73 CA SER A 6 19.306 -1.072 -15.305 1.00 0.00 C +ATOM 74 C SER A 6 18.036 -0.870 -16.135 1.00 0.00 C +ATOM 75 O SER A 6 17.931 0.095 -16.890 1.00 0.00 O +ATOM 76 CB SER A 6 19.374 -0.038 -14.179 1.00 0.00 C +ATOM 77 OG SER A 6 19.720 -0.630 -12.930 1.00 0.00 O +ATOM 78 H SER A 6 20.287 -1.031 -17.142 1.00 0.00 H +ATOM 79 HA SER A 6 19.329 -2.074 -14.878 1.00 0.00 H +ATOM 80 HB2 SER A 6 20.108 0.727 -14.433 1.00 0.00 H +ATOM 81 HB3 SER A 6 18.410 0.463 -14.088 1.00 0.00 H +ATOM 82 HG SER A 6 20.106 0.061 -12.319 1.00 0.00 H +ATOM 83 N ASN A 7 17.104 -1.797 -15.966 1.00 0.00 N +ATOM 84 CA ASN A 7 15.846 -1.733 -16.691 1.00 0.00 C +ATOM 85 C ASN A 7 15.011 -2.972 -16.363 1.00 0.00 C +ATOM 86 O ASN A 7 15.542 -3.978 -15.896 1.00 0.00 O +ATOM 87 CB ASN A 7 16.081 -1.707 -18.202 1.00 0.00 C +ATOM 88 CG ASN A 7 14.932 -1.001 -18.924 1.00 0.00 C +ATOM 89 OD1 ASN A 7 14.178 -0.236 -18.346 1.00 0.00 O +ATOM 90 ND2 ASN A 7 14.840 -1.300 -20.217 1.00 0.00 N +ATOM 91 H ASN A 7 17.198 -2.579 -15.350 1.00 0.00 H +ATOM 92 HA ASN A 7 15.371 -0.810 -16.358 1.00 0.00 H +ATOM 93 HB2 ASN A 7 17.020 -1.196 -18.419 1.00 0.00 H +ATOM 94 HB3 ASN A 7 16.179 -2.726 -18.576 1.00 0.00 H +ATOM 95 HD21 ASN A 7 15.491 -1.936 -20.630 1.00 0.00 H +ATOM 96 HD22 ASN A 7 14.120 -0.888 -20.775 1.00 0.00 H +ATOM 97 N GLY A 8 13.716 -2.859 -16.622 1.00 0.00 N +ATOM 98 CA GLY A 8 12.802 -3.958 -16.361 1.00 0.00 C +ATOM 99 C GLY A 8 11.462 -3.442 -15.832 1.00 0.00 C +ATOM 100 O GLY A 8 11.390 -2.918 -14.721 1.00 0.00 O +ATOM 101 H GLY A 8 13.292 -2.037 -17.003 1.00 0.00 H +ATOM 102 HA2 GLY A 8 12.641 -4.527 -17.277 1.00 0.00 H +ATOM 103 HA3 GLY A 8 13.246 -4.640 -15.636 1.00 0.00 H +ATOM 104 N SER A 9 10.435 -3.609 -16.651 1.00 0.00 N +ATOM 105 CA SER A 9 9.102 -3.167 -16.279 1.00 0.00 C +ATOM 106 C SER A 9 8.052 -4.085 -16.909 1.00 0.00 C +ATOM 107 O SER A 9 8.341 -4.798 -17.868 1.00 0.00 O +ATOM 108 CB SER A 9 8.863 -1.717 -16.705 1.00 0.00 C +ATOM 109 OG SER A 9 7.483 -1.365 -16.651 1.00 0.00 O +ATOM 110 H SER A 9 10.502 -4.036 -17.553 1.00 0.00 H +ATOM 111 HA SER A 9 9.068 -3.236 -15.192 1.00 0.00 H +ATOM 112 HB2 SER A 9 9.433 -1.051 -16.058 1.00 0.00 H +ATOM 113 HB3 SER A 9 9.235 -1.571 -17.719 1.00 0.00 H +ATOM 114 HG SER A 9 7.123 -1.532 -15.734 1.00 0.00 H +ATOM 115 N GLY A 10 6.854 -4.036 -16.344 1.00 0.00 N +ATOM 116 CA GLY A 10 5.760 -4.854 -16.838 1.00 0.00 C +ATOM 117 C GLY A 10 5.303 -5.858 -15.777 1.00 0.00 C +ATOM 118 O GLY A 10 5.764 -5.815 -14.637 1.00 0.00 O +ATOM 119 H GLY A 10 6.627 -3.453 -15.564 1.00 0.00 H +ATOM 120 HA2 GLY A 10 4.924 -4.216 -17.123 1.00 0.00 H +ATOM 121 HA3 GLY A 10 6.075 -5.386 -17.735 1.00 0.00 H +ATOM 122 N LEU A 11 4.402 -6.738 -16.189 1.00 0.00 N +ATOM 123 CA LEU A 11 3.878 -7.750 -15.289 1.00 0.00 C +ATOM 124 C LEU A 11 3.061 -7.073 -14.186 1.00 0.00 C +ATOM 125 O LEU A 11 3.484 -6.062 -13.628 1.00 0.00 O +ATOM 126 CB LEU A 11 5.010 -8.635 -14.760 1.00 0.00 C +ATOM 127 CG LEU A 11 5.401 -9.821 -15.643 1.00 0.00 C +ATOM 128 CD1 LEU A 11 4.233 -10.797 -15.800 1.00 0.00 C +ATOM 129 CD2 LEU A 11 5.936 -9.346 -16.995 1.00 0.00 C +ATOM 130 H LEU A 11 4.032 -6.766 -17.118 1.00 0.00 H +ATOM 131 HA LEU A 11 3.213 -8.390 -15.868 1.00 0.00 H +ATOM 132 HB2 LEU A 11 5.892 -8.012 -14.611 1.00 0.00 H +ATOM 133 HB3 LEU A 11 4.719 -9.016 -13.781 1.00 0.00 H +ATOM 134 HG LEU A 11 6.209 -10.362 -15.150 1.00 0.00 H +ATOM 135 HD11 LEU A 11 3.474 -10.579 -15.049 1.00 0.00 H +ATOM 136 HD12 LEU A 11 3.802 -10.690 -16.795 1.00 0.00 H +ATOM 137 HD13 LEU A 11 4.592 -11.818 -15.667 1.00 0.00 H +ATOM 138 HD21 LEU A 11 6.027 -8.260 -16.989 1.00 0.00 H +ATOM 139 HD22 LEU A 11 6.915 -9.791 -17.175 1.00 0.00 H +ATOM 140 HD23 LEU A 11 5.249 -9.649 -17.785 1.00 0.00 H +ATOM 141 N GLY A 12 1.906 -7.658 -13.906 1.00 0.00 N +ATOM 142 CA GLY A 12 1.026 -7.123 -12.881 1.00 0.00 C +ATOM 143 C GLY A 12 -0.294 -6.644 -13.487 1.00 0.00 C +ATOM 144 O GLY A 12 -0.753 -7.185 -14.492 1.00 0.00 O +ATOM 145 H GLY A 12 1.570 -8.480 -14.365 1.00 0.00 H +ATOM 146 HA2 GLY A 12 0.829 -7.889 -12.130 1.00 0.00 H +ATOM 147 HA3 GLY A 12 1.518 -6.295 -12.370 1.00 0.00 H +ATOM 148 N ALA A 13 -0.868 -5.633 -12.851 1.00 0.00 N +ATOM 149 CA ALA A 13 -2.127 -5.075 -13.315 1.00 0.00 C +ATOM 150 C ALA A 13 -3.264 -6.040 -12.974 1.00 0.00 C +ATOM 151 O ALA A 13 -3.189 -7.228 -13.284 1.00 0.00 O +ATOM 152 CB ALA A 13 -2.036 -4.787 -14.815 1.00 0.00 C +ATOM 153 H ALA A 13 -0.489 -5.198 -12.034 1.00 0.00 H +ATOM 154 HA ALA A 13 -2.288 -4.135 -12.786 1.00 0.00 H +ATOM 155 HB1 ALA A 13 -1.018 -4.492 -15.067 1.00 0.00 H +ATOM 156 HB2 ALA A 13 -2.304 -5.684 -15.373 1.00 0.00 H +ATOM 157 HB3 ALA A 13 -2.722 -3.980 -15.072 1.00 0.00 H +ATOM 158 N LYS A 14 -4.292 -5.493 -12.341 1.00 0.00 N +ATOM 159 CA LYS A 14 -5.443 -6.291 -11.955 1.00 0.00 C +ATOM 160 C LYS A 14 -6.564 -5.364 -11.480 1.00 0.00 C +ATOM 161 O LYS A 14 -6.301 -4.323 -10.881 1.00 0.00 O +ATOM 162 CB LYS A 14 -5.042 -7.349 -10.925 1.00 0.00 C +ATOM 163 CG LYS A 14 -5.341 -8.758 -11.440 1.00 0.00 C +ATOM 164 CD LYS A 14 -4.476 -9.798 -10.726 1.00 0.00 C +ATOM 165 CE LYS A 14 -5.133 -11.179 -10.767 1.00 0.00 C +ATOM 166 NZ LYS A 14 -4.136 -12.217 -11.115 1.00 0.00 N +ATOM 167 H LYS A 14 -4.345 -4.526 -12.093 1.00 0.00 H +ATOM 168 HA LYS A 14 -5.787 -6.821 -12.844 1.00 0.00 H +ATOM 169 HB2 LYS A 14 -3.979 -7.258 -10.700 1.00 0.00 H +ATOM 170 HB3 LYS A 14 -5.580 -7.176 -9.993 1.00 0.00 H +ATOM 171 HG2 LYS A 14 -6.395 -8.989 -11.287 1.00 0.00 H +ATOM 172 HG3 LYS A 14 -5.158 -8.803 -12.514 1.00 0.00 H +ATOM 173 HD2 LYS A 14 -3.493 -9.844 -11.197 1.00 0.00 H +ATOM 174 HD3 LYS A 14 -4.319 -9.497 -9.690 1.00 0.00 H +ATOM 175 HE2 LYS A 14 -5.579 -11.405 -9.799 1.00 0.00 H +ATOM 176 HE3 LYS A 14 -5.940 -11.182 -11.500 1.00 0.00 H +ATOM 177 HZ1 LYS A 14 -4.250 -12.549 -12.066 1.00 0.00 H +ATOM 178 HZ2 LYS A 14 -3.186 -11.872 -11.036 1.00 0.00 H +ATOM 179 N HIS A 15 -7.791 -5.777 -11.765 1.00 0.00 N +ATOM 180 CA HIS A 15 -8.953 -4.997 -11.374 1.00 0.00 C +ATOM 181 C HIS A 15 -9.027 -4.916 -9.848 1.00 0.00 C +ATOM 182 O HIS A 15 -9.136 -3.828 -9.285 1.00 0.00 O +ATOM 183 CB HIS A 15 -10.226 -5.568 -12.001 1.00 0.00 C +ATOM 184 CG HIS A 15 -10.232 -5.544 -13.511 1.00 0.00 C +ATOM 185 ND1 HIS A 15 -10.419 -6.680 -14.278 1.00 0.00 N +ATOM 186 CD2 HIS A 15 -10.074 -4.510 -14.386 1.00 0.00 C +ATOM 187 CE1 HIS A 15 -10.372 -6.335 -15.556 1.00 0.00 C +ATOM 188 NE2 HIS A 15 -10.157 -4.989 -15.621 1.00 0.00 N +ATOM 189 H HIS A 15 -7.996 -6.626 -12.252 1.00 0.00 H +ATOM 190 HA HIS A 15 -8.805 -3.994 -11.776 1.00 0.00 H +ATOM 191 HB2 HIS A 15 -10.355 -6.597 -11.664 1.00 0.00 H +ATOM 192 HB3 HIS A 15 -11.084 -5.003 -11.635 1.00 0.00 H +ATOM 193 HD1 HIS A 15 -10.564 -7.606 -13.927 1.00 0.00 H +ATOM 194 HD2 HIS A 15 -9.906 -3.467 -14.117 1.00 0.00 H +ATOM 195 HE1 HIS A 15 -10.485 -7.007 -16.406 1.00 0.00 H +ATOM 196 N ILE A 16 -8.965 -6.083 -9.222 1.00 0.00 N +ATOM 197 CA ILE A 16 -9.025 -6.158 -7.773 1.00 0.00 C +ATOM 198 C ILE A 16 -7.819 -5.427 -7.179 1.00 0.00 C +ATOM 199 O ILE A 16 -7.909 -4.852 -6.095 1.00 0.00 O +ATOM 200 CB ILE A 16 -9.147 -7.613 -7.316 1.00 0.00 C +ATOM 201 CG1 ILE A 16 -9.717 -7.697 -5.899 1.00 0.00 C +ATOM 202 CG2 ILE A 16 -7.807 -8.341 -7.439 1.00 0.00 C +ATOM 203 CD1 ILE A 16 -11.119 -7.087 -5.834 1.00 0.00 C +ATOM 204 H ILE A 16 -8.877 -6.963 -9.688 1.00 0.00 H +ATOM 205 HA ILE A 16 -9.931 -5.643 -7.455 1.00 0.00 H +ATOM 206 HB ILE A 16 -9.851 -8.120 -7.977 1.00 0.00 H +ATOM 207 HG12 ILE A 16 -9.755 -8.738 -5.579 1.00 0.00 H +ATOM 208 HG13 ILE A 16 -9.057 -7.175 -5.206 1.00 0.00 H +ATOM 209 HG21 ILE A 16 -7.417 -8.216 -8.449 1.00 0.00 H +ATOM 210 HG22 ILE A 16 -7.100 -7.924 -6.722 1.00 0.00 H +ATOM 211 HG23 ILE A 16 -7.950 -9.402 -7.234 1.00 0.00 H +ATOM 212 HD11 ILE A 16 -11.436 -6.798 -6.837 1.00 0.00 H +ATOM 213 HD12 ILE A 16 -11.816 -7.820 -5.430 1.00 0.00 H +ATOM 214 HD13 ILE A 16 -11.103 -6.207 -5.191 1.00 0.00 H +ATOM 215 N THR A 17 -6.718 -5.473 -7.914 1.00 0.00 N +ATOM 216 CA THR A 17 -5.496 -4.822 -7.474 1.00 0.00 C +ATOM 217 C THR A 17 -5.764 -3.353 -7.141 1.00 0.00 C +ATOM 218 O THR A 17 -5.614 -2.935 -5.994 1.00 0.00 O +ATOM 219 CB THR A 17 -4.438 -5.015 -8.562 1.00 0.00 C +ATOM 220 OG1 THR A 17 -3.714 -6.168 -8.142 1.00 0.00 O +ATOM 221 CG2 THR A 17 -3.392 -3.899 -8.567 1.00 0.00 C +ATOM 222 H THR A 17 -6.653 -5.943 -8.795 1.00 0.00 H +ATOM 223 HA THR A 17 -5.163 -5.302 -6.554 1.00 0.00 H +ATOM 224 HB THR A 17 -4.903 -5.117 -9.543 1.00 0.00 H +ATOM 225 HG1 THR A 17 -3.267 -5.991 -7.265 1.00 0.00 H +ATOM 226 HG21 THR A 17 -3.820 -2.998 -8.128 1.00 0.00 H +ATOM 227 HG22 THR A 17 -2.525 -4.211 -7.984 1.00 0.00 H +ATOM 228 HG23 THR A 17 -3.085 -3.693 -9.593 1.00 0.00 H +ATOM 229 N ASP A 18 -6.156 -2.610 -8.166 1.00 0.00 N +ATOM 230 CA ASP A 18 -6.447 -1.196 -7.997 1.00 0.00 C +ATOM 231 C ASP A 18 -7.428 -1.016 -6.836 1.00 0.00 C +ATOM 232 O ASP A 18 -7.341 -0.042 -6.091 1.00 0.00 O +ATOM 233 CB ASP A 18 -7.091 -0.612 -9.255 1.00 0.00 C +ATOM 234 CG ASP A 18 -6.110 -0.021 -10.270 1.00 0.00 C +ATOM 235 OD1 ASP A 18 -5.143 0.662 -9.900 1.00 0.00 O +ATOM 236 OD2 ASP A 18 -6.373 -0.290 -11.504 1.00 0.00 O +ATOM 237 H ASP A 18 -6.276 -2.957 -9.096 1.00 0.00 H +ATOM 238 HA ASP A 18 -5.482 -0.726 -7.804 1.00 0.00 H +ATOM 239 HB2 ASP A 18 -7.670 -1.394 -9.746 1.00 0.00 H +ATOM 240 HB3 ASP A 18 -7.795 0.166 -8.958 1.00 0.00 H +ATOM 241 N LEU A 19 -8.338 -1.972 -6.720 1.00 0.00 N +ATOM 242 CA LEU A 19 -9.334 -1.932 -5.663 1.00 0.00 C +ATOM 243 C LEU A 19 -8.630 -1.852 -4.307 1.00 0.00 C +ATOM 244 O LEU A 19 -9.139 -1.232 -3.375 1.00 0.00 O +ATOM 245 CB LEU A 19 -10.296 -3.115 -5.788 1.00 0.00 C +ATOM 246 CG LEU A 19 -11.663 -2.806 -6.403 1.00 0.00 C +ATOM 247 CD1 LEU A 19 -12.265 -4.052 -7.054 1.00 0.00 C +ATOM 248 CD2 LEU A 19 -12.604 -2.190 -5.365 1.00 0.00 C +ATOM 249 H LEU A 19 -8.401 -2.761 -7.331 1.00 0.00 H +ATOM 250 HA LEU A 19 -9.921 -1.023 -5.802 1.00 0.00 H +ATOM 251 HB2 LEU A 19 -9.816 -3.886 -6.390 1.00 0.00 H +ATOM 252 HB3 LEU A 19 -10.453 -3.536 -4.795 1.00 0.00 H +ATOM 253 HG LEU A 19 -11.524 -2.066 -7.191 1.00 0.00 H +ATOM 254 HD11 LEU A 19 -12.226 -4.885 -6.352 1.00 0.00 H +ATOM 255 HD12 LEU A 19 -13.302 -3.855 -7.326 1.00 0.00 H +ATOM 256 HD13 LEU A 19 -11.697 -4.305 -7.950 1.00 0.00 H +ATOM 257 HD21 LEU A 19 -12.406 -2.631 -4.388 1.00 0.00 H +ATOM 258 HD22 LEU A 19 -12.438 -1.114 -5.318 1.00 0.00 H +ATOM 259 HD23 LEU A 19 -13.637 -2.386 -5.651 1.00 0.00 H +ATOM 260 N LEU A 20 -7.470 -2.490 -4.240 1.00 0.00 N +ATOM 261 CA LEU A 20 -6.691 -2.499 -3.014 1.00 0.00 C +ATOM 262 C LEU A 20 -6.221 -1.077 -2.702 1.00 0.00 C +ATOM 263 O LEU A 20 -6.271 -0.641 -1.553 1.00 0.00 O +ATOM 264 CB LEU A 20 -5.552 -3.516 -3.111 1.00 0.00 C +ATOM 265 CG LEU A 20 -4.516 -3.471 -1.986 1.00 0.00 C +ATOM 266 CD1 LEU A 20 -3.544 -2.305 -2.181 1.00 0.00 C +ATOM 267 CD2 LEU A 20 -5.195 -3.428 -0.616 1.00 0.00 C +ATOM 268 H LEU A 20 -7.064 -2.992 -5.003 1.00 0.00 H +ATOM 269 HA LEU A 20 -7.350 -2.829 -2.211 1.00 0.00 H +ATOM 270 HB2 LEU A 20 -5.985 -4.516 -3.139 1.00 0.00 H +ATOM 271 HB3 LEU A 20 -5.036 -3.365 -4.059 1.00 0.00 H +ATOM 272 HG LEU A 20 -3.929 -4.389 -2.025 1.00 0.00 H +ATOM 273 HD11 LEU A 20 -3.141 -2.334 -3.193 1.00 0.00 H +ATOM 274 HD12 LEU A 20 -4.071 -1.364 -2.027 1.00 0.00 H +ATOM 275 HD13 LEU A 20 -2.729 -2.387 -1.462 1.00 0.00 H +ATOM 276 HD21 LEU A 20 -6.275 -3.354 -0.748 1.00 0.00 H +ATOM 277 HD22 LEU A 20 -4.958 -4.337 -0.064 1.00 0.00 H +ATOM 278 HD23 LEU A 20 -4.837 -2.561 -0.060 1.00 0.00 H +ATOM 279 N VAL A 21 -5.776 -0.393 -3.746 1.00 0.00 N +ATOM 280 CA VAL A 21 -5.298 0.971 -3.599 1.00 0.00 C +ATOM 281 C VAL A 21 -6.453 1.866 -3.145 1.00 0.00 C +ATOM 282 O VAL A 21 -6.415 2.428 -2.052 1.00 0.00 O +ATOM 283 CB VAL A 21 -4.652 1.443 -4.903 1.00 0.00 C +ATOM 284 CG1 VAL A 21 -5.519 2.497 -5.594 1.00 0.00 C +ATOM 285 CG2 VAL A 21 -3.238 1.973 -4.654 1.00 0.00 C +ATOM 286 H VAL A 21 -5.739 -0.755 -4.678 1.00 0.00 H +ATOM 287 HA VAL A 21 -4.531 0.969 -2.824 1.00 0.00 H +ATOM 288 HB VAL A 21 -4.575 0.584 -5.569 1.00 0.00 H +ATOM 289 HG11 VAL A 21 -5.890 3.206 -4.852 1.00 0.00 H +ATOM 290 HG12 VAL A 21 -4.924 3.028 -6.337 1.00 0.00 H +ATOM 291 HG13 VAL A 21 -6.362 2.010 -6.084 1.00 0.00 H +ATOM 292 HG21 VAL A 21 -2.641 1.201 -4.170 1.00 0.00 H +ATOM 293 HG22 VAL A 21 -2.780 2.245 -5.605 1.00 0.00 H +ATOM 294 HG23 VAL A 21 -3.288 2.851 -4.010 1.00 0.00 H +ATOM 295 N PHE A 22 -7.453 1.970 -4.009 1.00 0.00 N +ATOM 296 CA PHE A 22 -8.617 2.786 -3.711 1.00 0.00 C +ATOM 297 C PHE A 22 -9.371 2.243 -2.495 1.00 0.00 C +ATOM 298 O PHE A 22 -9.969 3.007 -1.739 1.00 0.00 O +ATOM 299 CB PHE A 22 -9.533 2.723 -4.935 1.00 0.00 C +ATOM 300 CG PHE A 22 -10.464 3.929 -5.078 1.00 0.00 C +ATOM 301 CD1 PHE A 22 -10.396 4.950 -4.183 1.00 0.00 C +ATOM 302 CD2 PHE A 22 -11.360 3.978 -6.100 1.00 0.00 C +ATOM 303 CE1 PHE A 22 -11.261 6.069 -4.316 1.00 0.00 C +ATOM 304 CE2 PHE A 22 -12.224 5.097 -6.233 1.00 0.00 C +ATOM 305 CZ PHE A 22 -12.156 6.119 -5.338 1.00 0.00 C +ATOM 306 H PHE A 22 -7.476 1.509 -4.896 1.00 0.00 H +ATOM 307 HA PHE A 22 -8.259 3.793 -3.494 1.00 0.00 H +ATOM 308 HB2 PHE A 22 -8.919 2.643 -5.831 1.00 0.00 H +ATOM 309 HB3 PHE A 22 -10.135 1.816 -4.879 1.00 0.00 H +ATOM 310 HD1 PHE A 22 -9.678 4.911 -3.364 1.00 0.00 H +ATOM 311 HD2 PHE A 22 -11.414 3.159 -6.817 1.00 0.00 H +ATOM 312 HE1 PHE A 22 -11.206 6.888 -3.599 1.00 0.00 H +ATOM 313 HE2 PHE A 22 -12.942 5.137 -7.052 1.00 0.00 H +ATOM 314 HZ PHE A 22 -12.820 6.978 -5.440 1.00 0.00 H +ATOM 315 N GLY A 23 -9.319 0.928 -2.346 1.00 0.00 N +ATOM 316 CA GLY A 23 -9.990 0.273 -1.235 1.00 0.00 C +ATOM 317 C GLY A 23 -9.232 0.501 0.074 1.00 0.00 C +ATOM 318 O GLY A 23 -9.843 0.724 1.118 1.00 0.00 O +ATOM 319 H GLY A 23 -8.830 0.313 -2.965 1.00 0.00 H +ATOM 320 HA2 GLY A 23 -11.006 0.657 -1.143 1.00 0.00 H +ATOM 321 HA3 GLY A 23 -10.069 -0.796 -1.433 1.00 0.00 H +ATOM 322 N PHE A 24 -7.912 0.437 -0.024 1.00 0.00 N +ATOM 323 CA PHE A 24 -7.065 0.634 1.139 1.00 0.00 C +ATOM 324 C PHE A 24 -7.422 1.932 1.865 1.00 0.00 C +ATOM 325 O PHE A 24 -7.710 1.920 3.061 1.00 0.00 O +ATOM 326 CB PHE A 24 -5.624 0.727 0.633 1.00 0.00 C +ATOM 327 CG PHE A 24 -4.663 1.404 1.612 1.00 0.00 C +ATOM 328 CD1 PHE A 24 -4.776 2.735 1.866 1.00 0.00 C +ATOM 329 CD2 PHE A 24 -3.695 0.674 2.229 1.00 0.00 C +ATOM 330 CE1 PHE A 24 -3.884 3.363 2.774 1.00 0.00 C +ATOM 331 CE2 PHE A 24 -2.803 1.302 3.137 1.00 0.00 C +ATOM 332 CZ PHE A 24 -2.916 2.633 3.391 1.00 0.00 C +ATOM 333 H PHE A 24 -7.423 0.256 -0.877 1.00 0.00 H +ATOM 334 HA PHE A 24 -7.231 -0.212 1.807 1.00 0.00 H +ATOM 335 HB2 PHE A 24 -5.260 -0.278 0.418 1.00 0.00 H +ATOM 336 HB3 PHE A 24 -5.615 1.277 -0.308 1.00 0.00 H +ATOM 337 HD1 PHE A 24 -5.552 3.320 1.371 1.00 0.00 H +ATOM 338 HD2 PHE A 24 -3.604 -0.393 2.025 1.00 0.00 H +ATOM 339 HE1 PHE A 24 -3.975 4.430 2.978 1.00 0.00 H +ATOM 340 HE2 PHE A 24 -2.027 0.717 3.632 1.00 0.00 H +ATOM 341 HZ PHE A 24 -2.231 3.116 4.089 1.00 0.00 H +ATOM 342 N LEU A 25 -7.393 3.021 1.112 1.00 0.00 N +ATOM 343 CA LEU A 25 -7.710 4.325 1.669 1.00 0.00 C +ATOM 344 C LEU A 25 -9.146 4.313 2.198 1.00 0.00 C +ATOM 345 O LEU A 25 -9.417 4.833 3.279 1.00 0.00 O +ATOM 346 CB LEU A 25 -7.443 5.427 0.640 1.00 0.00 C +ATOM 347 CG LEU A 25 -6.874 6.735 1.192 1.00 0.00 C +ATOM 348 CD1 LEU A 25 -5.706 6.468 2.143 1.00 0.00 C +ATOM 349 CD2 LEU A 25 -6.483 7.684 0.057 1.00 0.00 C +ATOM 350 H LEU A 25 -7.158 3.023 0.140 1.00 0.00 H +ATOM 351 HA LEU A 25 -7.034 4.496 2.507 1.00 0.00 H +ATOM 352 HB2 LEU A 25 -6.751 5.038 -0.107 1.00 0.00 H +ATOM 353 HB3 LEU A 25 -8.377 5.649 0.124 1.00 0.00 H +ATOM 354 HG LEU A 25 -7.654 7.230 1.771 1.00 0.00 H +ATOM 355 HD11 LEU A 25 -5.366 5.439 2.021 1.00 0.00 H +ATOM 356 HD12 LEU A 25 -4.887 7.150 1.914 1.00 0.00 H +ATOM 357 HD13 LEU A 25 -6.032 6.623 3.171 1.00 0.00 H +ATOM 358 HD21 LEU A 25 -6.598 7.174 -0.899 1.00 0.00 H +ATOM 359 HD22 LEU A 25 -7.128 8.563 0.080 1.00 0.00 H +ATOM 360 HD23 LEU A 25 -5.445 7.993 0.182 1.00 0.00 H +ATOM 361 N GLN A 26 -10.028 3.714 1.411 1.00 0.00 N +ATOM 362 CA GLN A 26 -11.428 3.628 1.787 1.00 0.00 C +ATOM 363 C GLN A 26 -11.562 3.113 3.222 1.00 0.00 C +ATOM 364 O GLN A 26 -12.479 3.504 3.942 1.00 0.00 O +ATOM 365 CB GLN A 26 -12.204 2.740 0.812 1.00 0.00 C +ATOM 366 CG GLN A 26 -13.610 3.292 0.567 1.00 0.00 C +ATOM 367 CD GLN A 26 -14.635 2.599 1.467 1.00 0.00 C +ATOM 368 OE1 GLN A 26 -14.588 1.402 1.698 1.00 0.00 O +ATOM 369 NE2 GLN A 26 -15.562 3.416 1.959 1.00 0.00 N +ATOM 370 H GLN A 26 -9.799 3.294 0.533 1.00 0.00 H +ATOM 371 HA GLN A 26 -11.809 4.647 1.723 1.00 0.00 H +ATOM 372 HB2 GLN A 26 -11.665 2.675 -0.133 1.00 0.00 H +ATOM 373 HB3 GLN A 26 -12.271 1.728 1.210 1.00 0.00 H +ATOM 374 HG2 GLN A 26 -13.621 4.365 0.757 1.00 0.00 H +ATOM 375 HG3 GLN A 26 -13.883 3.150 -0.478 1.00 0.00 H +ATOM 376 HE21 GLN A 26 -15.544 4.389 1.730 1.00 0.00 H +ATOM 377 HE22 GLN A 26 -16.277 3.057 2.559 1.00 0.00 H +ATOM 378 N SER A 27 -10.634 2.244 3.594 1.00 0.00 N +ATOM 379 CA SER A 27 -10.636 1.672 4.930 1.00 0.00 C +ATOM 380 C SER A 27 -9.963 2.632 5.912 1.00 0.00 C +ATOM 381 O SER A 27 -10.566 3.035 6.905 1.00 0.00 O +ATOM 382 CB SER A 27 -9.933 0.314 4.948 1.00 0.00 C +ATOM 383 OG SER A 27 -9.007 0.207 6.026 1.00 0.00 O +ATOM 384 H SER A 27 -9.891 1.931 3.002 1.00 0.00 H +ATOM 385 HA SER A 27 -11.688 1.539 5.185 1.00 0.00 H +ATOM 386 HB2 SER A 27 -10.676 -0.479 5.029 1.00 0.00 H +ATOM 387 HB3 SER A 27 -9.409 0.164 4.004 1.00 0.00 H +ATOM 388 HG SER A 27 -8.185 0.740 5.826 1.00 0.00 H +ATOM 389 N SER A 28 -8.721 2.972 5.600 1.00 0.00 N +ATOM 390 CA SER A 28 -7.958 3.878 6.442 1.00 0.00 C +ATOM 391 C SER A 28 -7.046 4.752 5.580 1.00 0.00 C +ATOM 392 O SER A 28 -7.433 5.176 4.492 1.00 0.00 O +ATOM 393 CB SER A 28 -7.134 3.107 7.475 1.00 0.00 C +ATOM 394 OG SER A 28 -6.583 3.967 8.469 1.00 0.00 O +ATOM 395 H SER A 28 -8.237 2.640 4.790 1.00 0.00 H +ATOM 396 HA SER A 28 -8.701 4.489 6.954 1.00 0.00 H +ATOM 397 HB2 SER A 28 -7.762 2.356 7.953 1.00 0.00 H +ATOM 398 HB3 SER A 28 -6.328 2.574 6.970 1.00 0.00 H +ATOM 399 HG SER A 28 -6.535 3.489 9.346 1.00 0.00 H +ATOM 400 N GLY A 29 -5.851 4.996 6.097 1.00 0.00 N +ATOM 401 CA GLY A 29 -4.880 5.812 5.388 1.00 0.00 C +ATOM 402 C GLY A 29 -5.156 7.301 5.600 1.00 0.00 C +ATOM 403 O GLY A 29 -5.575 7.711 6.682 1.00 0.00 O +ATOM 404 H GLY A 29 -5.544 4.647 6.983 1.00 0.00 H +ATOM 405 HA2 GLY A 29 -3.875 5.571 5.735 1.00 0.00 H +ATOM 406 HA3 GLY A 29 -4.914 5.580 4.324 1.00 0.00 H +ATOM 407 N CYS A 30 -4.911 8.072 4.551 1.00 0.00 N +ATOM 408 CA CYS A 30 -5.128 9.507 4.609 1.00 0.00 C +ATOM 409 C CYS A 30 -6.581 9.757 5.018 1.00 0.00 C +ATOM 410 O CYS A 30 -6.960 9.503 6.160 1.00 0.00 O +ATOM 411 CB CYS A 30 -4.784 10.185 3.281 1.00 0.00 C +ATOM 412 SG CYS A 30 -4.812 12.004 3.481 1.00 0.00 S +ATOM 413 H CYS A 30 -4.571 7.731 3.674 1.00 0.00 H +ATOM 414 HA CYS A 30 -4.442 9.898 5.360 1.00 0.00 H +ATOM 415 HB2 CYS A 30 -3.799 9.864 2.943 1.00 0.00 H +ATOM 416 HB3 CYS A 30 -5.498 9.885 2.514 1.00 0.00 H +ATOM 417 HG CYS A 30 -6.136 12.117 3.538 1.00 0.00 H +ATOM 418 N THR A 31 -7.355 10.252 4.063 1.00 0.00 N +ATOM 419 CA THR A 31 -8.757 10.539 4.309 1.00 0.00 C +ATOM 420 C THR A 31 -9.602 10.160 3.091 1.00 0.00 C +ATOM 421 O THR A 31 -9.062 9.853 2.029 1.00 0.00 O +ATOM 422 CB THR A 31 -8.877 12.014 4.696 1.00 0.00 C +ATOM 423 OG1 THR A 31 -7.795 12.225 5.599 1.00 0.00 O +ATOM 424 CG2 THR A 31 -10.124 12.300 5.536 1.00 0.00 C +ATOM 425 H THR A 31 -7.038 10.456 3.136 1.00 0.00 H +ATOM 426 HA THR A 31 -9.095 9.917 5.138 1.00 0.00 H +ATOM 427 HB THR A 31 -8.848 12.652 3.813 1.00 0.00 H +ATOM 428 HG1 THR A 31 -7.712 13.199 5.812 1.00 0.00 H +ATOM 429 HG21 THR A 31 -10.602 11.359 5.808 1.00 0.00 H +ATOM 430 HG22 THR A 31 -9.838 12.838 6.440 1.00 0.00 H +ATOM 431 HG23 THR A 31 -10.820 12.907 4.957 1.00 0.00 H +ATOM 432 N ARG A 32 -10.912 10.194 3.285 1.00 0.00 N +ATOM 433 CA ARG A 32 -11.836 9.857 2.215 1.00 0.00 C +ATOM 434 C ARG A 32 -11.474 10.624 0.941 1.00 0.00 C +ATOM 435 O ARG A 32 -11.267 10.022 -0.111 1.00 0.00 O +ATOM 436 CB ARG A 32 -13.277 10.187 2.609 1.00 0.00 C +ATOM 437 CG ARG A 32 -13.392 11.625 3.117 1.00 0.00 C +ATOM 438 CD ARG A 32 -14.586 11.780 4.061 1.00 0.00 C +ATOM 439 NE ARG A 32 -14.840 13.213 4.326 1.00 0.00 N +ATOM 440 CZ ARG A 32 -16.012 13.702 4.784 1.00 0.00 C +ATOM 441 NH1 ARG A 32 -17.049 12.875 5.033 1.00 0.00 N +ATOM 442 NH2 ARG A 32 -16.129 15.002 4.984 1.00 0.00 N +ATOM 443 H ARG A 32 -11.342 10.444 4.152 1.00 0.00 H +ATOM 444 HA ARG A 32 -11.719 8.783 2.073 1.00 0.00 H +ATOM 445 HB2 ARG A 32 -13.933 10.047 1.750 1.00 0.00 H +ATOM 446 HB3 ARG A 32 -13.614 9.496 3.382 1.00 0.00 H +ATOM 447 HG2 ARG A 32 -12.475 11.906 3.636 1.00 0.00 H +ATOM 448 HG3 ARG A 32 -13.501 12.306 2.272 1.00 0.00 H +ATOM 449 HD2 ARG A 32 -15.471 11.320 3.620 1.00 0.00 H +ATOM 450 HD3 ARG A 32 -14.389 11.258 4.998 1.00 0.00 H +ATOM 451 HE ARG A 32 -14.097 13.861 4.154 1.00 0.00 H +ATOM 452 HH22 ARG A 32 -16.961 15.443 5.321 1.00 0.00 H +ATOM 453 N GLN A 33 -11.410 11.940 1.079 1.00 0.00 N +ATOM 454 CA GLN A 33 -11.077 12.795 -0.048 1.00 0.00 C +ATOM 455 C GLN A 33 -9.789 12.313 -0.718 1.00 0.00 C +ATOM 456 O GLN A 33 -9.590 12.524 -1.913 1.00 0.00 O +ATOM 457 CB GLN A 33 -10.954 14.256 0.390 1.00 0.00 C +ATOM 458 CG GLN A 33 -11.500 15.198 -0.685 1.00 0.00 C +ATOM 459 CD GLN A 33 -11.441 16.654 -0.219 1.00 0.00 C +ATOM 460 OE1 GLN A 33 -11.348 16.952 0.961 1.00 0.00 O +ATOM 461 NE2 GLN A 33 -11.500 17.542 -1.208 1.00 0.00 N +ATOM 462 H GLN A 33 -11.580 12.422 1.939 1.00 0.00 H +ATOM 463 HA GLN A 33 -11.913 12.699 -0.741 1.00 0.00 H +ATOM 464 HB2 GLN A 33 -11.498 14.407 1.322 1.00 0.00 H +ATOM 465 HB3 GLN A 33 -9.909 14.493 0.589 1.00 0.00 H +ATOM 466 HG2 GLN A 33 -10.923 15.083 -1.602 1.00 0.00 H +ATOM 467 HG3 GLN A 33 -12.530 14.929 -0.920 1.00 0.00 H +ATOM 468 HE21 GLN A 33 -11.576 17.230 -2.155 1.00 0.00 H +ATOM 469 HE22 GLN A 33 -11.469 18.520 -1.004 1.00 0.00 H +ATOM 470 N GLU A 34 -8.948 11.674 0.081 1.00 0.00 N +ATOM 471 CA GLU A 34 -7.684 11.160 -0.419 1.00 0.00 C +ATOM 472 C GLU A 34 -7.929 10.005 -1.392 1.00 0.00 C +ATOM 473 O GLU A 34 -7.501 10.057 -2.544 1.00 0.00 O +ATOM 474 CB GLU A 34 -6.775 10.724 0.731 1.00 0.00 C +ATOM 475 CG GLU A 34 -5.324 10.590 0.264 1.00 0.00 C +ATOM 476 CD GLU A 34 -4.538 11.873 0.541 1.00 0.00 C +ATOM 477 OE1 GLU A 34 -5.136 12.952 0.668 1.00 0.00 O +ATOM 478 OE2 GLU A 34 -3.260 11.721 0.626 1.00 0.00 O +ATOM 479 H GLU A 34 -9.117 11.506 1.053 1.00 0.00 H +ATOM 480 HA GLU A 34 -7.220 11.994 -0.945 1.00 0.00 H +ATOM 481 HB2 GLU A 34 -6.834 11.451 1.542 1.00 0.00 H +ATOM 482 HB3 GLU A 34 -7.121 9.771 1.132 1.00 0.00 H +ATOM 483 HG2 GLU A 34 -4.850 9.751 0.773 1.00 0.00 H +ATOM 484 HG3 GLU A 34 -5.302 10.369 -0.804 1.00 0.00 H +ATOM 485 N LEU A 35 -8.618 8.989 -0.893 1.00 0.00 N +ATOM 486 CA LEU A 35 -8.925 7.823 -1.703 1.00 0.00 C +ATOM 487 C LEU A 35 -9.449 8.278 -3.067 1.00 0.00 C +ATOM 488 O LEU A 35 -9.222 7.613 -4.077 1.00 0.00 O +ATOM 489 CB LEU A 35 -9.881 6.889 -0.958 1.00 0.00 C +ATOM 490 CG LEU A 35 -11.372 7.100 -1.229 1.00 0.00 C +ATOM 491 CD1 LEU A 35 -12.027 5.811 -1.728 1.00 0.00 C +ATOM 492 CD2 LEU A 35 -12.079 7.661 0.007 1.00 0.00 C +ATOM 493 H LEU A 35 -8.963 8.954 0.045 1.00 0.00 H +ATOM 494 HA LEU A 35 -7.994 7.276 -1.856 1.00 0.00 H +ATOM 495 HB2 LEU A 35 -9.627 5.860 -1.216 1.00 0.00 H +ATOM 496 HB3 LEU A 35 -9.706 7.001 0.112 1.00 0.00 H +ATOM 497 HG LEU A 35 -11.474 7.841 -2.021 1.00 0.00 H +ATOM 498 HD11 LEU A 35 -11.256 5.122 -2.072 1.00 0.00 H +ATOM 499 HD12 LEU A 35 -12.590 5.351 -0.916 1.00 0.00 H +ATOM 500 HD13 LEU A 35 -12.702 6.042 -2.552 1.00 0.00 H +ATOM 501 HD21 LEU A 35 -11.336 8.023 0.718 1.00 0.00 H +ATOM 502 HD22 LEU A 35 -12.730 8.483 -0.289 1.00 0.00 H +ATOM 503 HD23 LEU A 35 -12.674 6.875 0.473 1.00 0.00 H +ATOM 504 N GLU A 36 -10.139 9.409 -3.052 1.00 0.00 N +ATOM 505 CA GLU A 36 -10.697 9.962 -4.275 1.00 0.00 C +ATOM 506 C GLU A 36 -9.577 10.441 -5.200 1.00 0.00 C +ATOM 507 O GLU A 36 -9.587 10.152 -6.395 1.00 0.00 O +ATOM 508 CB GLU A 36 -11.677 11.095 -3.967 1.00 0.00 C +ATOM 509 CG GLU A 36 -12.311 11.636 -5.251 1.00 0.00 C +ATOM 510 CD GLU A 36 -12.476 13.155 -5.183 1.00 0.00 C +ATOM 511 OE1 GLU A 36 -12.911 13.686 -4.150 1.00 0.00 O +ATOM 512 OE2 GLU A 36 -12.133 13.789 -6.253 1.00 0.00 O +ATOM 513 H GLU A 36 -10.319 9.944 -2.226 1.00 0.00 H +ATOM 514 HA GLU A 36 -11.237 9.139 -4.744 1.00 0.00 H +ATOM 515 HB2 GLU A 36 -12.457 10.734 -3.296 1.00 0.00 H +ATOM 516 HB3 GLU A 36 -11.157 11.900 -3.447 1.00 0.00 H +ATOM 517 HG2 GLU A 36 -11.689 11.372 -6.106 1.00 0.00 H +ATOM 518 HG3 GLU A 36 -13.283 11.167 -5.406 1.00 0.00 H +ATOM 519 N VAL A 37 -8.637 11.167 -4.611 1.00 0.00 N +ATOM 520 CA VAL A 37 -7.512 11.690 -5.368 1.00 0.00 C +ATOM 521 C VAL A 37 -6.653 10.527 -5.865 1.00 0.00 C +ATOM 522 O VAL A 37 -6.422 10.389 -7.066 1.00 0.00 O +ATOM 523 CB VAL A 37 -6.728 12.691 -4.516 1.00 0.00 C +ATOM 524 CG1 VAL A 37 -5.525 12.020 -3.851 1.00 0.00 C +ATOM 525 CG2 VAL A 37 -6.293 13.898 -5.349 1.00 0.00 C +ATOM 526 H VAL A 37 -8.636 11.399 -3.639 1.00 0.00 H +ATOM 527 HA VAL A 37 -7.914 12.223 -6.229 1.00 0.00 H +ATOM 528 HB VAL A 37 -7.390 13.049 -3.727 1.00 0.00 H +ATOM 529 HG11 VAL A 37 -5.008 11.395 -4.580 1.00 0.00 H +ATOM 530 HG12 VAL A 37 -4.842 12.784 -3.479 1.00 0.00 H +ATOM 531 HG13 VAL A 37 -5.866 11.402 -3.020 1.00 0.00 H +ATOM 532 HG21 VAL A 37 -7.113 14.206 -5.997 1.00 0.00 H +ATOM 533 HG22 VAL A 37 -6.025 14.720 -4.685 1.00 0.00 H +ATOM 534 HG23 VAL A 37 -5.430 13.627 -5.958 1.00 0.00 H +ATOM 535 N LEU A 38 -6.202 9.718 -4.918 1.00 0.00 N +ATOM 536 CA LEU A 38 -5.373 8.571 -5.245 1.00 0.00 C +ATOM 537 C LEU A 38 -6.207 7.549 -6.020 1.00 0.00 C +ATOM 538 O LEU A 38 -5.785 7.068 -7.071 1.00 0.00 O +ATOM 539 CB LEU A 38 -4.722 8.002 -3.982 1.00 0.00 C +ATOM 540 CG LEU A 38 -4.323 9.024 -2.915 1.00 0.00 C +ATOM 541 CD1 LEU A 38 -3.986 8.332 -1.593 1.00 0.00 C +ATOM 542 CD2 LEU A 38 -3.176 9.910 -3.407 1.00 0.00 C +ATOM 543 H LEU A 38 -6.394 9.837 -3.943 1.00 0.00 H +ATOM 544 HA LEU A 38 -4.568 8.922 -5.891 1.00 0.00 H +ATOM 545 HB2 LEU A 38 -5.412 7.287 -3.532 1.00 0.00 H +ATOM 546 HB3 LEU A 38 -3.832 7.445 -4.275 1.00 0.00 H +ATOM 547 HG LEU A 38 -5.176 9.675 -2.729 1.00 0.00 H +ATOM 548 HD11 LEU A 38 -4.795 7.653 -1.321 1.00 0.00 H +ATOM 549 HD12 LEU A 38 -3.060 7.768 -1.703 1.00 0.00 H +ATOM 550 HD13 LEU A 38 -3.864 9.082 -0.811 1.00 0.00 H +ATOM 551 HD21 LEU A 38 -2.743 9.476 -4.308 1.00 0.00 H +ATOM 552 HD22 LEU A 38 -3.557 10.906 -3.630 1.00 0.00 H +ATOM 553 HD23 LEU A 38 -2.412 9.978 -2.632 1.00 0.00 H +ATOM 554 N GLY A 39 -7.375 7.248 -5.472 1.00 0.00 N +ATOM 555 CA GLY A 39 -8.271 6.292 -6.099 1.00 0.00 C +ATOM 556 C GLY A 39 -8.627 6.726 -7.522 1.00 0.00 C +ATOM 557 O GLY A 39 -8.673 5.901 -8.434 1.00 0.00 O +ATOM 558 H GLY A 39 -7.710 7.643 -4.617 1.00 0.00 H +ATOM 559 HA2 GLY A 39 -7.802 5.308 -6.122 1.00 0.00 H +ATOM 560 HA3 GLY A 39 -9.181 6.197 -5.506 1.00 0.00 H +ATOM 561 N ARG A 40 -8.870 8.020 -7.668 1.00 0.00 N +ATOM 562 CA ARG A 40 -9.221 8.574 -8.965 1.00 0.00 C +ATOM 563 C ARG A 40 -8.212 8.125 -10.024 1.00 0.00 C +ATOM 564 O ARG A 40 -7.143 8.718 -10.160 1.00 0.00 O +ATOM 565 CB ARG A 40 -9.255 10.103 -8.920 1.00 0.00 C +ATOM 566 CG ARG A 40 -9.095 10.697 -10.321 1.00 0.00 C +ATOM 567 CD ARG A 40 -7.689 11.269 -10.516 1.00 0.00 C +ATOM 568 NE ARG A 40 -7.736 12.748 -10.485 1.00 0.00 N +ATOM 569 CZ ARG A 40 -6.810 13.547 -11.056 1.00 0.00 C +ATOM 570 NH1 ARG A 40 -5.754 13.015 -11.707 1.00 0.00 N +ATOM 571 NH2 ARG A 40 -6.951 14.856 -10.967 1.00 0.00 N +ATOM 572 H ARG A 40 -8.831 8.685 -6.922 1.00 0.00 H +ATOM 573 HA ARG A 40 -10.214 8.180 -9.178 1.00 0.00 H +ATOM 574 HB2 ARG A 40 -10.198 10.436 -8.486 1.00 0.00 H +ATOM 575 HB3 ARG A 40 -8.459 10.470 -8.272 1.00 0.00 H +ATOM 576 HG2 ARG A 40 -9.285 9.928 -11.070 1.00 0.00 H +ATOM 577 HG3 ARG A 40 -9.835 11.482 -10.474 1.00 0.00 H +ATOM 578 HD2 ARG A 40 -7.026 10.902 -9.733 1.00 0.00 H +ATOM 579 HD3 ARG A 40 -7.278 10.930 -11.467 1.00 0.00 H +ATOM 580 HE ARG A 40 -8.503 13.183 -10.012 1.00 0.00 H +ATOM 581 HH22 ARG A 40 -6.311 15.516 -11.361 1.00 0.00 H +ATOM 582 N GLU A 41 -8.587 7.081 -10.748 1.00 0.00 N +ATOM 583 CA GLU A 41 -7.729 6.545 -11.791 1.00 0.00 C +ATOM 584 C GLU A 41 -8.569 6.072 -12.979 1.00 0.00 C +ATOM 585 O GLU A 41 -9.540 5.338 -12.804 1.00 0.00 O +ATOM 586 CB GLU A 41 -6.854 5.412 -11.252 1.00 0.00 C +ATOM 587 CG GLU A 41 -5.412 5.881 -11.050 1.00 0.00 C +ATOM 588 CD GLU A 41 -4.418 4.854 -11.596 1.00 0.00 C +ATOM 589 OE1 GLU A 41 -4.154 4.966 -12.854 1.00 0.00 O +ATOM 590 OE2 GLU A 41 -3.935 3.997 -10.841 1.00 0.00 O +ATOM 591 H GLU A 41 -9.458 6.604 -10.631 1.00 0.00 H +ATOM 592 HA GLU A 41 -7.091 7.375 -12.095 1.00 0.00 H +ATOM 593 HB2 GLU A 41 -7.259 5.052 -10.306 1.00 0.00 H +ATOM 594 HB3 GLU A 41 -6.872 4.572 -11.946 1.00 0.00 H +ATOM 595 HG2 GLU A 41 -5.263 6.838 -11.551 1.00 0.00 H +ATOM 596 HG3 GLU A 41 -5.224 6.045 -9.988 1.00 0.00 H +ATOM 597 N LEU A 42 -8.164 6.512 -14.161 1.00 0.00 N +ATOM 598 CA LEU A 42 -8.867 6.143 -15.378 1.00 0.00 C +ATOM 599 C LEU A 42 -8.098 5.026 -16.087 1.00 0.00 C +ATOM 600 O LEU A 42 -7.052 5.271 -16.685 1.00 0.00 O +ATOM 601 CB LEU A 42 -9.108 7.375 -16.253 1.00 0.00 C +ATOM 602 CG LEU A 42 -10.501 8.001 -16.160 1.00 0.00 C +ATOM 603 CD1 LEU A 42 -11.569 7.043 -16.692 1.00 0.00 C +ATOM 604 CD2 LEU A 42 -10.803 8.459 -14.732 1.00 0.00 C +ATOM 605 H LEU A 42 -7.373 7.109 -14.295 1.00 0.00 H +ATOM 606 HA LEU A 42 -9.844 5.758 -15.087 1.00 0.00 H +ATOM 607 HB2 LEU A 42 -8.372 8.134 -15.987 1.00 0.00 H +ATOM 608 HB3 LEU A 42 -8.923 7.100 -17.291 1.00 0.00 H +ATOM 609 HG LEU A 42 -10.520 8.887 -16.794 1.00 0.00 H +ATOM 610 HD11 LEU A 42 -11.117 6.072 -16.898 1.00 0.00 H +ATOM 611 HD12 LEU A 42 -12.356 6.926 -15.948 1.00 0.00 H +ATOM 612 HD13 LEU A 42 -11.994 7.447 -17.611 1.00 0.00 H +ATOM 613 HD21 LEU A 42 -9.962 8.208 -14.085 1.00 0.00 H +ATOM 614 HD22 LEU A 42 -10.960 9.537 -14.722 1.00 0.00 H +ATOM 615 HD23 LEU A 42 -11.701 7.958 -14.372 1.00 0.00 H +ATOM 616 N PRO A 43 -8.662 3.792 -15.995 1.00 0.00 N +ATOM 617 CA PRO A 43 -8.041 2.637 -16.621 1.00 0.00 C +ATOM 618 C PRO A 43 -8.249 2.656 -18.136 1.00 0.00 C +ATOM 619 O PRO A 43 -8.600 3.689 -18.705 1.00 0.00 O +ATOM 620 CB PRO A 43 -8.681 1.433 -15.949 1.00 0.00 C +ATOM 621 CG PRO A 43 -9.962 1.945 -15.309 1.00 0.00 C +ATOM 622 CD PRO A 43 -9.900 3.464 -15.295 1.00 0.00 C +ATOM 623 HA PRO A 43 -7.051 2.656 -16.480 1.00 0.00 H +ATOM 624 HB2 PRO A 43 -8.894 0.648 -16.674 1.00 0.00 H +ATOM 625 HB3 PRO A 43 -8.016 1.003 -15.200 1.00 0.00 H +ATOM 626 HG2 PRO A 43 -10.832 1.604 -15.870 1.00 0.00 H +ATOM 627 HG3 PRO A 43 -10.063 1.558 -14.295 1.00 0.00 H +ATOM 628 HD2 PRO A 43 -10.765 3.900 -15.795 1.00 0.00 H +ATOM 629 HD3 PRO A 43 -9.893 3.851 -14.276 1.00 0.00 H +ATOM 630 N VAL A 44 -8.023 1.502 -18.747 1.00 0.00 N +ATOM 631 CA VAL A 44 -8.181 1.374 -20.186 1.00 0.00 C +ATOM 632 C VAL A 44 -9.632 1.007 -20.504 1.00 0.00 C +ATOM 633 O VAL A 44 -9.965 -0.171 -20.627 1.00 0.00 O +ATOM 634 CB VAL A 44 -7.174 0.361 -20.735 1.00 0.00 C +ATOM 635 CG1 VAL A 44 -7.489 0.009 -22.190 1.00 0.00 C +ATOM 636 CG2 VAL A 44 -5.742 0.881 -20.594 1.00 0.00 C +ATOM 637 H VAL A 44 -7.737 0.667 -18.277 1.00 0.00 H +ATOM 638 HA VAL A 44 -7.959 2.345 -20.629 1.00 0.00 H +ATOM 639 HB VAL A 44 -7.259 -0.550 -20.143 1.00 0.00 H +ATOM 640 HG11 VAL A 44 -8.498 -0.398 -22.255 1.00 0.00 H +ATOM 641 HG12 VAL A 44 -7.418 0.906 -22.805 1.00 0.00 H +ATOM 642 HG13 VAL A 44 -6.774 -0.733 -22.547 1.00 0.00 H +ATOM 643 HG21 VAL A 44 -5.674 1.526 -19.718 1.00 0.00 H +ATOM 644 HG22 VAL A 44 -5.059 0.039 -20.479 1.00 0.00 H +ATOM 645 HG23 VAL A 44 -5.472 1.448 -21.485 1.00 0.00 H +ATOM 646 N GLN A 45 -10.456 2.037 -20.629 1.00 0.00 N +ATOM 647 CA GLN A 45 -11.863 1.837 -20.930 1.00 0.00 C +ATOM 648 C GLN A 45 -12.671 3.075 -20.534 1.00 0.00 C +ATOM 649 O GLN A 45 -12.821 4.003 -21.327 1.00 0.00 O +ATOM 650 CB GLN A 45 -12.401 0.585 -20.235 1.00 0.00 C +ATOM 651 CG GLN A 45 -12.457 -0.598 -21.203 1.00 0.00 C +ATOM 652 CD GLN A 45 -13.809 -0.659 -21.917 1.00 0.00 C +ATOM 653 OE1 GLN A 45 -14.857 -0.788 -21.307 1.00 0.00 O +ATOM 654 NE2 GLN A 45 -13.727 -0.558 -23.241 1.00 0.00 N +ATOM 655 H GLN A 45 -10.176 2.992 -20.527 1.00 0.00 H +ATOM 656 HA GLN A 45 -11.910 1.695 -22.010 1.00 0.00 H +ATOM 657 HB2 GLN A 45 -11.765 0.335 -19.386 1.00 0.00 H +ATOM 658 HB3 GLN A 45 -13.397 0.784 -19.840 1.00 0.00 H +ATOM 659 HG2 GLN A 45 -11.657 -0.509 -21.939 1.00 0.00 H +ATOM 660 HG3 GLN A 45 -12.287 -1.527 -20.658 1.00 0.00 H +ATOM 661 HE21 GLN A 45 -12.834 -0.454 -23.680 1.00 0.00 H +ATOM 662 HE22 GLN A 45 -14.558 -0.587 -23.797 1.00 0.00 H +ATOM 663 N ALA A 46 -13.172 3.047 -19.307 1.00 0.00 N +ATOM 664 CA ALA A 46 -13.961 4.155 -18.796 1.00 0.00 C +ATOM 665 C ALA A 46 -14.521 3.784 -17.422 1.00 0.00 C +ATOM 666 O ALA A 46 -15.735 3.703 -17.244 1.00 0.00 O +ATOM 667 CB ALA A 46 -15.062 4.503 -19.800 1.00 0.00 C +ATOM 668 H ALA A 46 -13.045 2.288 -18.669 1.00 0.00 H +ATOM 669 HA ALA A 46 -13.298 5.013 -18.690 1.00 0.00 H +ATOM 670 HB1 ALA A 46 -15.123 3.723 -20.558 1.00 0.00 H +ATOM 671 HB2 ALA A 46 -16.016 4.580 -19.280 1.00 0.00 H +ATOM 672 HB3 ALA A 46 -14.830 5.456 -20.277 1.00 0.00 H +ATOM 673 N TYR A 47 -13.609 3.570 -16.485 1.00 0.00 N +ATOM 674 CA TYR A 47 -13.997 3.210 -15.131 1.00 0.00 C +ATOM 675 C TYR A 47 -15.206 4.028 -14.672 1.00 0.00 C +ATOM 676 O TYR A 47 -15.540 5.044 -15.279 1.00 0.00 O +ATOM 677 CB TYR A 47 -12.798 3.552 -14.244 1.00 0.00 C +ATOM 678 CG TYR A 47 -13.121 3.587 -12.749 1.00 0.00 C +ATOM 679 CD1 TYR A 47 -13.456 2.424 -12.087 1.00 0.00 C +ATOM 680 CD2 TYR A 47 -13.077 4.784 -12.062 1.00 0.00 C +ATOM 681 CE1 TYR A 47 -13.759 2.458 -10.680 1.00 0.00 C +ATOM 682 CE2 TYR A 47 -13.381 4.818 -10.655 1.00 0.00 C +ATOM 683 CZ TYR A 47 -13.707 3.653 -10.033 1.00 0.00 C +ATOM 684 OH TYR A 47 -13.994 3.685 -8.704 1.00 0.00 O +ATOM 685 H TYR A 47 -12.623 3.638 -16.638 1.00 0.00 H +ATOM 686 HA TYR A 47 -14.260 2.152 -15.127 1.00 0.00 H +ATOM 687 HB2 TYR A 47 -12.010 2.819 -14.418 1.00 0.00 H +ATOM 688 HB3 TYR A 47 -12.403 4.522 -14.543 1.00 0.00 H +ATOM 689 HD1 TYR A 47 -13.491 1.479 -12.630 1.00 0.00 H +ATOM 690 HD2 TYR A 47 -12.813 5.703 -12.585 1.00 0.00 H +ATOM 691 HE1 TYR A 47 -14.025 1.546 -10.145 1.00 0.00 H +ATOM 692 HE2 TYR A 47 -13.350 5.756 -10.100 1.00 0.00 H +ATOM 693 HH TYR A 47 -13.827 2.787 -8.297 1.00 0.00 H +ATOM 694 N TRP A 48 -15.829 3.554 -13.603 1.00 0.00 N +ATOM 695 CA TRP A 48 -16.993 4.228 -13.055 1.00 0.00 C +ATOM 696 C TRP A 48 -17.745 3.231 -12.170 1.00 0.00 C +ATOM 697 O TRP A 48 -17.912 2.070 -12.541 1.00 0.00 O +ATOM 698 CB TRP A 48 -17.863 4.813 -14.169 1.00 0.00 C +ATOM 699 CG TRP A 48 -17.843 6.341 -14.238 1.00 0.00 C +ATOM 700 CD1 TRP A 48 -18.826 7.162 -14.630 1.00 0.00 C +ATOM 701 CD2 TRP A 48 -16.739 7.203 -13.888 1.00 0.00 C +ATOM 702 NE1 TRP A 48 -18.439 8.485 -14.558 1.00 0.00 N +ATOM 703 CE2 TRP A 48 -17.130 8.510 -14.093 1.00 0.00 C +ATOM 704 CE3 TRP A 48 -15.454 6.887 -13.415 1.00 0.00 C +ATOM 705 CZ2 TRP A 48 -16.294 9.607 -13.850 1.00 0.00 C +ATOM 706 CZ3 TRP A 48 -14.630 7.994 -13.177 1.00 0.00 C +ATOM 707 CH2 TRP A 48 -15.008 9.317 -13.378 1.00 0.00 C +ATOM 708 H TRP A 48 -15.551 2.727 -13.114 1.00 0.00 H +ATOM 709 HA TRP A 48 -16.641 5.067 -12.454 1.00 0.00 H +ATOM 710 HB2 TRP A 48 -17.529 4.411 -15.126 1.00 0.00 H +ATOM 711 HB3 TRP A 48 -18.891 4.479 -14.026 1.00 0.00 H +ATOM 712 HD1 TRP A 48 -19.809 6.828 -14.963 1.00 0.00 H +ATOM 713 HE1 TRP A 48 -19.048 9.351 -14.819 1.00 0.00 H +ATOM 714 HE3 TRP A 48 -15.121 5.863 -13.245 1.00 0.00 H +ATOM 715 HZ2 TRP A 48 -16.626 10.631 -14.020 1.00 0.00 H +ATOM 716 HZ3 TRP A 48 -13.622 7.806 -12.808 1.00 0.00 H +ATOM 717 HH2 TRP A 48 -14.307 10.125 -13.168 1.00 0.00 H +ATOM 718 N GLU A 49 -18.177 3.720 -11.017 1.00 0.00 N +ATOM 719 CA GLU A 49 -18.907 2.887 -10.077 1.00 0.00 C +ATOM 720 C GLU A 49 -19.956 3.717 -9.335 1.00 0.00 C +ATOM 721 O GLU A 49 -20.473 4.695 -9.873 1.00 0.00 O +ATOM 722 CB GLU A 49 -17.953 2.204 -9.095 1.00 0.00 C +ATOM 723 CG GLU A 49 -18.366 0.752 -8.849 1.00 0.00 C +ATOM 724 CD GLU A 49 -17.597 0.156 -7.668 1.00 0.00 C +ATOM 725 OE1 GLU A 49 -16.587 0.728 -7.233 1.00 0.00 O +ATOM 726 OE2 GLU A 49 -18.085 -0.943 -7.199 1.00 0.00 O +ATOM 727 H GLU A 49 -18.037 4.666 -10.723 1.00 0.00 H +ATOM 728 HA GLU A 49 -19.398 2.127 -10.685 1.00 0.00 H +ATOM 729 HB2 GLU A 49 -16.937 2.235 -9.488 1.00 0.00 H +ATOM 730 HB3 GLU A 49 -17.946 2.749 -8.151 1.00 0.00 H +ATOM 731 HG2 GLU A 49 -19.437 0.703 -8.652 1.00 0.00 H +ATOM 732 HG3 GLU A 49 -18.180 0.160 -9.745 1.00 0.00 H +ATOM 733 N ALA A 50 -20.240 3.296 -8.111 1.00 0.00 N +ATOM 734 CA ALA A 50 -21.219 3.988 -7.290 1.00 0.00 C +ATOM 735 C ALA A 50 -21.658 3.072 -6.146 1.00 0.00 C +ATOM 736 O ALA A 50 -21.432 1.863 -6.192 1.00 0.00 O +ATOM 737 CB ALA A 50 -22.393 4.435 -8.163 1.00 0.00 C +ATOM 738 H ALA A 50 -19.816 2.499 -7.681 1.00 0.00 H +ATOM 739 HA ALA A 50 -20.736 4.871 -6.872 1.00 0.00 H +ATOM 740 HB1 ALA A 50 -22.472 3.779 -9.030 1.00 0.00 H +ATOM 741 HB2 ALA A 50 -23.316 4.384 -7.584 1.00 0.00 H +ATOM 742 HB3 ALA A 50 -22.229 5.459 -8.496 1.00 0.00 H +ATOM 743 N ASP A 51 -22.277 3.682 -5.146 1.00 0.00 N +ATOM 744 CA ASP A 51 -22.750 2.936 -3.992 1.00 0.00 C +ATOM 745 C ASP A 51 -23.586 3.858 -3.102 1.00 0.00 C +ATOM 746 O ASP A 51 -23.047 4.744 -2.440 1.00 0.00 O +ATOM 747 CB ASP A 51 -21.579 2.409 -3.160 1.00 0.00 C +ATOM 748 CG ASP A 51 -21.975 1.696 -1.865 1.00 0.00 C +ATOM 749 OD1 ASP A 51 -22.775 2.213 -1.071 1.00 0.00 O +ATOM 750 OD2 ASP A 51 -21.418 0.547 -1.684 1.00 0.00 O +ATOM 751 H ASP A 51 -22.457 4.665 -5.117 1.00 0.00 H +ATOM 752 HA ASP A 51 -23.333 2.112 -4.403 1.00 0.00 H +ATOM 753 HB2 ASP A 51 -20.998 1.721 -3.773 1.00 0.00 H +ATOM 754 HB3 ASP A 51 -20.925 3.245 -2.911 1.00 0.00 H +ATOM 755 N LEU A 52 -24.889 3.618 -3.115 1.00 0.00 N +ATOM 756 CA LEU A 52 -25.804 4.415 -2.317 1.00 0.00 C +ATOM 757 C LEU A 52 -25.125 4.800 -1.001 1.00 0.00 C +ATOM 758 O LEU A 52 -24.274 4.067 -0.500 1.00 0.00 O +ATOM 759 CB LEU A 52 -27.133 3.680 -2.131 1.00 0.00 C +ATOM 760 CG LEU A 52 -27.207 2.718 -0.943 1.00 0.00 C +ATOM 761 CD1 LEU A 52 -28.659 2.454 -0.541 1.00 0.00 C +ATOM 762 CD2 LEU A 52 -26.449 1.423 -1.238 1.00 0.00 C +ATOM 763 H LEU A 52 -25.319 2.895 -3.656 1.00 0.00 H +ATOM 764 HA LEU A 52 -26.016 5.327 -2.876 1.00 0.00 H +ATOM 765 HB2 LEU A 52 -27.924 4.422 -2.022 1.00 0.00 H +ATOM 766 HB3 LEU A 52 -27.345 3.119 -3.041 1.00 0.00 H +ATOM 767 HG LEU A 52 -26.718 3.190 -0.091 1.00 0.00 H +ATOM 768 HD11 LEU A 52 -29.218 2.102 -1.409 1.00 0.00 H +ATOM 769 HD12 LEU A 52 -28.688 1.695 0.241 1.00 0.00 H +ATOM 770 HD13 LEU A 52 -29.107 3.375 -0.170 1.00 0.00 H +ATOM 771 HD21 LEU A 52 -26.783 1.015 -2.192 1.00 0.00 H +ATOM 772 HD22 LEU A 52 -25.380 1.630 -1.287 1.00 0.00 H +ATOM 773 HD23 LEU A 52 -26.643 0.700 -0.446 1.00 0.00 H +ATOM 774 N GLU A 53 -25.527 5.949 -0.479 1.00 0.00 N +ATOM 775 CA GLU A 53 -24.968 6.440 0.769 1.00 0.00 C +ATOM 776 C GLU A 53 -25.915 6.136 1.932 1.00 0.00 C +ATOM 777 O GLU A 53 -27.034 5.672 1.720 1.00 0.00 O +ATOM 778 CB GLU A 53 -24.668 7.938 0.684 1.00 0.00 C +ATOM 779 CG GLU A 53 -23.254 8.244 1.182 1.00 0.00 C +ATOM 780 CD GLU A 53 -22.390 8.822 0.059 1.00 0.00 C +ATOM 781 OE1 GLU A 53 -22.926 9.376 -0.912 1.00 0.00 O +ATOM 782 OE2 GLU A 53 -21.119 8.680 0.222 1.00 0.00 O +ATOM 783 H GLU A 53 -26.220 6.540 -0.892 1.00 0.00 H +ATOM 784 HA GLU A 53 -24.033 5.896 0.902 1.00 0.00 H +ATOM 785 HB2 GLU A 53 -24.776 8.276 -0.347 1.00 0.00 H +ATOM 786 HB3 GLU A 53 -25.395 8.493 1.278 1.00 0.00 H +ATOM 787 HG2 GLU A 53 -23.302 8.952 2.010 1.00 0.00 H +ATOM 788 HG3 GLU A 53 -22.796 7.333 1.567 1.00 0.00 H +ATOM 789 N ASP A 54 -25.431 6.409 3.135 1.00 0.00 N +ATOM 790 CA ASP A 54 -26.220 6.169 4.331 1.00 0.00 C +ATOM 791 C ASP A 54 -26.375 7.480 5.105 1.00 0.00 C +ATOM 792 O ASP A 54 -25.714 8.470 4.795 1.00 0.00 O +ATOM 793 CB ASP A 54 -25.535 5.155 5.249 1.00 0.00 C +ATOM 794 CG ASP A 54 -26.343 4.753 6.484 1.00 0.00 C +ATOM 795 OD1 ASP A 54 -27.492 4.221 6.235 1.00 0.00 O +ATOM 796 OD2 ASP A 54 -25.898 4.938 7.627 1.00 0.00 O +ATOM 797 H ASP A 54 -24.519 6.785 3.298 1.00 0.00 H +ATOM 798 HA ASP A 54 -27.174 5.782 3.972 1.00 0.00 H +ATOM 799 HB2 ASP A 54 -25.311 4.258 4.672 1.00 0.00 H +ATOM 800 HB3 ASP A 54 -24.582 5.570 5.576 1.00 0.00 H +ATOM 801 N GLU A 55 -27.251 7.443 6.098 1.00 0.00 N +ATOM 802 CA GLU A 55 -27.500 8.616 6.920 1.00 0.00 C +ATOM 803 C GLU A 55 -27.997 8.198 8.305 1.00 0.00 C +ATOM 804 O GLU A 55 -28.129 7.008 8.588 1.00 0.00 O +ATOM 805 CB GLU A 55 -28.497 9.558 6.242 1.00 0.00 C +ATOM 806 CG GLU A 55 -29.896 8.939 6.200 1.00 0.00 C +ATOM 807 CD GLU A 55 -30.790 9.672 5.198 1.00 0.00 C +ATOM 808 OE1 GLU A 55 -30.690 9.430 3.986 1.00 0.00 O +ATOM 809 OE2 GLU A 55 -31.612 10.519 5.718 1.00 0.00 O +ATOM 810 H GLU A 55 -27.784 6.634 6.344 1.00 0.00 H +ATOM 811 HA GLU A 55 -26.537 9.118 7.008 1.00 0.00 H +ATOM 812 HB2 GLU A 55 -28.530 10.506 6.779 1.00 0.00 H +ATOM 813 HB3 GLU A 55 -28.163 9.779 5.228 1.00 0.00 H +ATOM 814 HG2 GLU A 55 -29.823 7.887 5.927 1.00 0.00 H +ATOM 815 HG3 GLU A 55 -30.345 8.981 7.192 1.00 0.00 H +ATOM 816 N LEU A 56 -28.258 9.199 9.132 1.00 0.00 N +ATOM 817 CA LEU A 56 -28.737 8.950 10.481 1.00 0.00 C +ATOM 818 C LEU A 56 -29.611 10.122 10.932 1.00 0.00 C +ATOM 819 O LEU A 56 -29.822 11.070 10.177 1.00 0.00 O +ATOM 820 CB LEU A 56 -27.565 8.661 11.421 1.00 0.00 C +ATOM 821 CG LEU A 56 -26.888 9.883 12.045 1.00 0.00 C +ATOM 822 CD1 LEU A 56 -26.915 9.803 13.573 1.00 0.00 C +ATOM 823 CD2 LEU A 56 -25.467 10.058 11.505 1.00 0.00 C +ATOM 824 H LEU A 56 -28.148 10.164 8.894 1.00 0.00 H +ATOM 825 HA LEU A 56 -29.354 8.052 10.448 1.00 0.00 H +ATOM 826 HB2 LEU A 56 -27.920 8.016 12.225 1.00 0.00 H +ATOM 827 HB3 LEU A 56 -26.814 8.096 10.869 1.00 0.00 H +ATOM 828 HG LEU A 56 -27.453 10.770 11.759 1.00 0.00 H +ATOM 829 HD11 LEU A 56 -27.944 9.694 13.913 1.00 0.00 H +ATOM 830 HD12 LEU A 56 -26.330 8.944 13.902 1.00 0.00 H +ATOM 831 HD13 LEU A 56 -26.488 10.715 13.991 1.00 0.00 H +ATOM 832 HD21 LEU A 56 -25.495 10.092 10.416 1.00 0.00 H +ATOM 833 HD22 LEU A 56 -25.046 10.988 11.887 1.00 0.00 H +ATOM 834 HD23 LEU A 56 -24.850 9.220 11.827 1.00 0.00 H +ATOM 835 N GLN A 57 -30.097 10.019 12.160 1.00 0.00 N +ATOM 836 CA GLN A 57 -30.944 11.058 12.720 1.00 0.00 C +ATOM 837 C GLN A 57 -31.028 10.912 14.241 1.00 0.00 C +ATOM 838 O GLN A 57 -31.357 9.841 14.748 1.00 0.00 O +ATOM 839 CB GLN A 57 -32.337 11.030 12.089 1.00 0.00 C +ATOM 840 CG GLN A 57 -32.805 9.592 11.857 1.00 0.00 C +ATOM 841 CD GLN A 57 -32.885 9.275 10.362 1.00 0.00 C +ATOM 842 OE1 GLN A 57 -32.077 9.720 9.563 1.00 0.00 O +ATOM 843 NE2 GLN A 57 -33.902 8.485 10.030 1.00 0.00 N +ATOM 844 H GLN A 57 -29.921 9.244 12.768 1.00 0.00 H +ATOM 845 HA GLN A 57 -30.455 11.999 12.465 1.00 0.00 H +ATOM 846 HB2 GLN A 57 -33.045 11.546 12.737 1.00 0.00 H +ATOM 847 HB3 GLN A 57 -32.322 11.568 11.141 1.00 0.00 H +ATOM 848 HG2 GLN A 57 -32.117 8.899 12.343 1.00 0.00 H +ATOM 849 HG3 GLN A 57 -33.782 9.445 12.316 1.00 0.00 H +ATOM 850 HE21 GLN A 57 -34.529 8.154 10.736 1.00 0.00 H +ATOM 851 HE22 GLN A 57 -34.039 8.221 9.076 1.00 0.00 H +ATOM 852 N THR A 58 -30.724 12.005 14.926 1.00 0.00 N +ATOM 853 CA THR A 58 -30.761 12.012 16.378 1.00 0.00 C +ATOM 854 C THR A 58 -32.164 12.367 16.874 1.00 0.00 C +ATOM 855 O THR A 58 -33.114 12.393 16.094 1.00 0.00 O +ATOM 856 CB THR A 58 -29.680 12.975 16.874 1.00 0.00 C +ATOM 857 OG1 THR A 58 -29.915 14.171 16.137 1.00 0.00 O +ATOM 858 CG2 THR A 58 -28.274 12.545 16.449 1.00 0.00 C +ATOM 859 H THR A 58 -30.457 12.872 14.506 1.00 0.00 H +ATOM 860 HA THR A 58 -30.542 11.005 16.733 1.00 0.00 H +ATOM 861 HB THR A 58 -29.738 13.102 17.955 1.00 0.00 H +ATOM 862 HG1 THR A 58 -30.502 14.787 16.663 1.00 0.00 H +ATOM 863 HG21 THR A 58 -28.343 11.685 15.784 1.00 0.00 H +ATOM 864 HG22 THR A 58 -27.784 13.369 15.929 1.00 0.00 H +ATOM 865 HG23 THR A 58 -27.694 12.277 17.332 1.00 0.00 H +ATOM 866 N ASP A 59 -32.250 12.632 18.170 1.00 0.00 N +ATOM 867 CA ASP A 59 -33.521 12.984 18.779 1.00 0.00 C +ATOM 868 C ASP A 59 -33.264 13.782 20.059 1.00 0.00 C +ATOM 869 O ASP A 59 -32.193 13.679 20.655 1.00 0.00 O +ATOM 870 CB ASP A 59 -34.318 11.733 19.153 1.00 0.00 C +ATOM 871 CG ASP A 59 -33.934 11.098 20.491 1.00 0.00 C +ATOM 872 OD1 ASP A 59 -34.113 11.701 21.560 1.00 0.00 O +ATOM 873 OD2 ASP A 59 -33.423 9.916 20.407 1.00 0.00 O +ATOM 874 H ASP A 59 -31.472 12.609 18.798 1.00 0.00 H +ATOM 875 HA ASP A 59 -34.049 13.566 18.024 1.00 0.00 H +ATOM 876 HB2 ASP A 59 -35.377 11.990 19.181 1.00 0.00 H +ATOM 877 HB3 ASP A 59 -34.190 10.990 18.366 1.00 0.00 H +ATOM 878 N GLY A 60 -34.266 14.559 20.445 1.00 0.00 N +ATOM 879 CA GLY A 60 -34.162 15.373 21.644 1.00 0.00 C +ATOM 880 C GLY A 60 -35.330 15.102 22.594 1.00 0.00 C +ATOM 881 O GLY A 60 -35.308 14.132 23.349 1.00 0.00 O +ATOM 882 H GLY A 60 -35.134 14.637 19.955 1.00 0.00 H +ATOM 883 HA2 GLY A 60 -33.220 15.163 22.150 1.00 0.00 H +ATOM 884 HA3 GLY A 60 -34.148 16.429 21.371 1.00 0.00 H +ATOM 885 N SER A 61 -36.322 15.977 22.526 1.00 0.00 N +ATOM 886 CA SER A 61 -37.497 15.844 23.370 1.00 0.00 C +ATOM 887 C SER A 61 -37.189 16.356 24.779 1.00 0.00 C +ATOM 888 O SER A 61 -36.038 16.337 25.213 1.00 0.00 O +ATOM 889 CB SER A 61 -37.974 14.391 23.426 1.00 0.00 C +ATOM 890 OG SER A 61 -37.371 13.672 24.498 1.00 0.00 O +ATOM 891 H SER A 61 -36.333 16.764 21.908 1.00 0.00 H +ATOM 892 HA SER A 61 -38.263 16.459 22.899 1.00 0.00 H +ATOM 893 HB2 SER A 61 -39.058 14.370 23.539 1.00 0.00 H +ATOM 894 HB3 SER A 61 -37.742 13.897 22.483 1.00 0.00 H +ATOM 895 HG SER A 61 -36.479 13.319 24.215 1.00 0.00 H +ATOM 896 N GLN A 62 -38.238 16.802 25.454 1.00 0.00 N +ATOM 897 CA GLN A 62 -38.094 17.318 26.805 1.00 0.00 C +ATOM 898 C GLN A 62 -39.194 16.756 27.708 1.00 0.00 C +ATOM 899 O GLN A 62 -38.916 15.986 28.626 1.00 0.00 O +ATOM 900 CB GLN A 62 -38.108 18.848 26.811 1.00 0.00 C +ATOM 901 CG GLN A 62 -37.471 19.397 28.090 1.00 0.00 C +ATOM 902 CD GLN A 62 -38.467 20.254 28.874 1.00 0.00 C +ATOM 903 OE1 GLN A 62 -39.665 20.024 28.865 1.00 0.00 O +ATOM 904 NE2 GLN A 62 -37.906 21.252 29.551 1.00 0.00 N +ATOM 905 H GLN A 62 -39.171 16.815 25.094 1.00 0.00 H +ATOM 906 HA GLN A 62 -37.120 16.969 27.147 1.00 0.00 H +ATOM 907 HB2 GLN A 62 -37.569 19.224 25.942 1.00 0.00 H +ATOM 908 HB3 GLN A 62 -39.134 19.207 26.729 1.00 0.00 H +ATOM 909 HG2 GLN A 62 -37.127 18.571 28.712 1.00 0.00 H +ATOM 910 HG3 GLN A 62 -36.594 19.992 27.837 1.00 0.00 H +ATOM 911 HE21 GLN A 62 -36.915 21.385 29.516 1.00 0.00 H +ATOM 912 HE22 GLN A 62 -38.475 21.868 30.096 1.00 0.00 H +ATOM 913 N ALA A 63 -40.421 17.164 27.416 1.00 0.00 N +ATOM 914 CA ALA A 63 -41.564 16.710 28.190 1.00 0.00 C +ATOM 915 C ALA A 63 -41.613 15.181 28.171 1.00 0.00 C +ATOM 916 O ALA A 63 -41.768 14.574 27.113 1.00 0.00 O +ATOM 917 CB ALA A 63 -42.841 17.341 27.632 1.00 0.00 C +ATOM 918 H ALA A 63 -40.639 17.790 26.668 1.00 0.00 H +ATOM 919 HA ALA A 63 -41.425 17.048 29.217 1.00 0.00 H +ATOM 920 HB1 ALA A 63 -42.730 18.425 27.609 1.00 0.00 H +ATOM 921 HB2 ALA A 63 -43.018 16.972 26.622 1.00 0.00 H +ATOM 922 HB3 ALA A 63 -43.685 17.076 28.269 1.00 0.00 H +ATOM 923 N SER A 64 -41.478 14.602 29.355 1.00 0.00 N +ATOM 924 CA SER A 64 -41.505 13.155 29.488 1.00 0.00 C +ATOM 925 C SER A 64 -41.675 12.768 30.959 1.00 0.00 C +ATOM 926 O SER A 64 -40.899 13.196 31.811 1.00 0.00 O +ATOM 927 CB SER A 64 -40.232 12.526 28.918 1.00 0.00 C +ATOM 928 OG SER A 64 -40.053 12.840 27.540 1.00 0.00 O +ATOM 929 H SER A 64 -41.352 15.103 30.212 1.00 0.00 H +ATOM 930 HA SER A 64 -42.365 12.828 28.904 1.00 0.00 H +ATOM 931 HB2 SER A 64 -39.369 12.876 29.485 1.00 0.00 H +ATOM 932 HB3 SER A 64 -40.277 11.444 29.041 1.00 0.00 H +ATOM 933 HG SER A 64 -40.922 12.754 27.053 1.00 0.00 H +ATOM 934 N ARG A 65 -42.697 11.962 31.211 1.00 0.00 N +ATOM 935 CA ARG A 65 -42.979 11.512 32.563 1.00 0.00 C +ATOM 936 C ARG A 65 -42.273 10.183 32.839 1.00 0.00 C +ATOM 937 O ARG A 65 -42.142 9.349 31.945 1.00 0.00 O +ATOM 938 CB ARG A 65 -44.483 11.338 32.783 1.00 0.00 C +ATOM 939 CG ARG A 65 -44.791 11.029 34.250 1.00 0.00 C +ATOM 940 CD ARG A 65 -46.300 10.980 34.495 1.00 0.00 C +ATOM 941 NE ARG A 65 -46.805 9.607 34.268 1.00 0.00 N +ATOM 942 CZ ARG A 65 -47.184 9.130 33.064 1.00 0.00 C +ATOM 943 NH1 ARG A 65 -47.118 9.911 31.965 1.00 0.00 N +ATOM 944 NH2 ARG A 65 -47.620 7.887 32.977 1.00 0.00 N +ATOM 945 H ARG A 65 -43.323 11.618 30.511 1.00 0.00 H +ATOM 946 HA ARG A 65 -42.592 12.303 33.206 1.00 0.00 H +ATOM 947 HB2 ARG A 65 -45.006 12.246 32.482 1.00 0.00 H +ATOM 948 HB3 ARG A 65 -44.855 10.531 32.152 1.00 0.00 H +ATOM 949 HG2 ARG A 65 -44.342 10.074 34.526 1.00 0.00 H +ATOM 950 HG3 ARG A 65 -44.340 11.789 34.887 1.00 0.00 H +ATOM 951 HD2 ARG A 65 -46.522 11.294 35.514 1.00 0.00 H +ATOM 952 HD3 ARG A 65 -46.808 11.678 33.829 1.00 0.00 H +ATOM 953 HE ARG A 65 -46.870 8.996 35.056 1.00 0.00 H +ATOM 954 HH22 ARG A 65 -47.920 7.457 32.124 1.00 0.00 H +ATOM 955 N SER A 66 -41.836 10.028 34.080 1.00 0.00 N +ATOM 956 CA SER A 66 -41.147 8.814 34.485 1.00 0.00 C +ATOM 957 C SER A 66 -41.753 7.605 33.770 1.00 0.00 C +ATOM 958 O SER A 66 -42.849 7.163 34.111 1.00 0.00 O +ATOM 959 CB SER A 66 -41.214 8.623 36.001 1.00 0.00 C +ATOM 960 OG SER A 66 -42.512 8.223 36.432 1.00 0.00 O +ATOM 961 H SER A 66 -41.947 10.712 34.802 1.00 0.00 H +ATOM 962 HA SER A 66 -40.110 8.957 34.182 1.00 0.00 H +ATOM 963 HB2 SER A 66 -40.484 7.872 36.304 1.00 0.00 H +ATOM 964 HB3 SER A 66 -40.938 9.553 36.497 1.00 0.00 H +ATOM 965 HG SER A 66 -42.521 8.104 37.425 1.00 0.00 H +ATOM 966 N PHE A 67 -41.013 7.104 32.791 1.00 0.00 N +ATOM 967 CA PHE A 67 -41.464 5.955 32.025 1.00 0.00 C +ATOM 968 C PHE A 67 -40.415 5.538 30.993 1.00 0.00 C +ATOM 969 O PHE A 67 -40.385 6.069 29.883 1.00 0.00 O +ATOM 970 CB PHE A 67 -42.741 6.377 31.295 1.00 0.00 C +ATOM 971 CG PHE A 67 -43.467 5.226 30.595 1.00 0.00 C +ATOM 972 CD1 PHE A 67 -44.191 4.335 31.324 1.00 0.00 C +ATOM 973 CD2 PHE A 67 -43.388 5.094 29.244 1.00 0.00 C +ATOM 974 CE1 PHE A 67 -44.864 3.267 30.675 1.00 0.00 C +ATOM 975 CE2 PHE A 67 -44.061 4.026 28.594 1.00 0.00 C +ATOM 976 CZ PHE A 67 -44.785 3.135 29.323 1.00 0.00 C +ATOM 977 H PHE A 67 -40.123 7.470 32.520 1.00 0.00 H +ATOM 978 HA PHE A 67 -41.622 5.138 32.730 1.00 0.00 H +ATOM 979 HB2 PHE A 67 -43.421 6.839 32.011 1.00 0.00 H +ATOM 980 HB3 PHE A 67 -42.490 7.138 30.556 1.00 0.00 H +ATOM 981 HD1 PHE A 67 -44.254 4.440 32.407 1.00 0.00 H +ATOM 982 HD2 PHE A 67 -42.807 5.808 28.660 1.00 0.00 H +ATOM 983 HE1 PHE A 67 -45.444 2.552 31.259 1.00 0.00 H +ATOM 984 HE2 PHE A 67 -43.998 3.920 27.511 1.00 0.00 H +ATOM 985 HZ PHE A 67 -45.302 2.315 28.825 1.00 0.00 H +ATOM 986 N ASN A 68 -39.579 4.592 31.395 1.00 0.00 N +ATOM 987 CA ASN A 68 -38.530 4.098 30.518 1.00 0.00 C +ATOM 988 C ASN A 68 -37.670 3.087 31.278 1.00 0.00 C +ATOM 989 O ASN A 68 -37.620 3.109 32.507 1.00 0.00 O +ATOM 990 CB ASN A 68 -37.621 5.237 30.052 1.00 0.00 C +ATOM 991 CG ASN A 68 -37.990 5.689 28.638 1.00 0.00 C +ATOM 992 OD1 ASN A 68 -38.970 5.255 28.055 1.00 0.00 O +ATOM 993 ND2 ASN A 68 -37.153 6.584 28.120 1.00 0.00 N +ATOM 994 H ASN A 68 -39.609 4.166 32.299 1.00 0.00 H +ATOM 995 HA ASN A 68 -39.052 3.650 29.672 1.00 0.00 H +ATOM 996 HB2 ASN A 68 -37.703 6.078 30.740 1.00 0.00 H +ATOM 997 HB3 ASN A 68 -36.581 4.908 30.072 1.00 0.00 H +ATOM 998 HD21 ASN A 68 -36.367 6.899 28.652 1.00 0.00 H +ATOM 999 HD22 ASN A 68 -37.310 6.941 27.199 1.00 0.00 H +ATOM 1000 N GLN A 69 -37.014 2.224 30.516 1.00 0.00 N +ATOM 1001 CA GLN A 69 -36.159 1.207 31.102 1.00 0.00 C +ATOM 1002 C GLN A 69 -35.433 0.427 30.004 1.00 0.00 C +ATOM 1003 O GLN A 69 -35.772 -0.723 29.727 1.00 0.00 O +ATOM 1004 CB GLN A 69 -36.963 0.267 32.003 1.00 0.00 C +ATOM 1005 CG GLN A 69 -36.449 0.315 33.443 1.00 0.00 C +ATOM 1006 CD GLN A 69 -37.163 -0.720 34.315 1.00 0.00 C +ATOM 1007 OE1 GLN A 69 -37.616 -1.753 33.851 1.00 0.00 O +ATOM 1008 NE2 GLN A 69 -37.237 -0.386 35.600 1.00 0.00 N +ATOM 1009 H GLN A 69 -37.060 2.213 29.517 1.00 0.00 H +ATOM 1010 HA GLN A 69 -35.435 1.751 31.709 1.00 0.00 H +ATOM 1011 HB2 GLN A 69 -38.016 0.547 31.979 1.00 0.00 H +ATOM 1012 HB3 GLN A 69 -36.895 -0.752 31.623 1.00 0.00 H +ATOM 1013 HG2 GLN A 69 -35.375 0.129 33.456 1.00 0.00 H +ATOM 1014 HG3 GLN A 69 -36.604 1.312 33.855 1.00 0.00 H +ATOM 1015 HE21 GLN A 69 -36.844 0.478 35.916 1.00 0.00 H +ATOM 1016 HE22 GLN A 69 -37.686 -0.998 36.251 1.00 0.00 H +ATOM 1017 N GLY A 70 -34.447 1.083 29.409 1.00 0.00 N +ATOM 1018 CA GLY A 70 -33.671 0.465 28.348 1.00 0.00 C +ATOM 1019 C GLY A 70 -32.826 1.505 27.610 1.00 0.00 C +ATOM 1020 O GLY A 70 -33.325 2.568 27.243 1.00 0.00 O +ATOM 1021 H GLY A 70 -34.178 2.017 29.641 1.00 0.00 H +ATOM 1022 HA2 GLY A 70 -33.022 -0.304 28.768 1.00 0.00 H +ATOM 1023 HA3 GLY A 70 -34.340 -0.032 27.645 1.00 0.00 H +ATOM 1024 N ARG A 71 -31.562 1.162 27.413 1.00 0.00 N +ATOM 1025 CA ARG A 71 -30.643 2.054 26.725 1.00 0.00 C +ATOM 1026 C ARG A 71 -29.584 1.246 25.972 1.00 0.00 C +ATOM 1027 O ARG A 71 -28.397 1.565 26.031 1.00 0.00 O +ATOM 1028 CB ARG A 71 -29.950 2.998 27.710 1.00 0.00 C +ATOM 1029 CG ARG A 71 -29.893 4.423 27.155 1.00 0.00 C +ATOM 1030 CD ARG A 71 -28.457 4.951 27.147 1.00 0.00 C +ATOM 1031 NE ARG A 71 -28.008 5.216 28.532 1.00 0.00 N +ATOM 1032 CZ ARG A 71 -28.308 6.336 29.224 1.00 0.00 C +ATOM 1033 NH1 ARG A 71 -29.061 7.306 28.665 1.00 0.00 N +ATOM 1034 NH2 ARG A 71 -27.853 6.467 30.457 1.00 0.00 N +ATOM 1035 H ARG A 71 -31.164 0.296 27.714 1.00 0.00 H +ATOM 1036 HA ARG A 71 -31.269 2.620 26.035 1.00 0.00 H +ATOM 1037 HB2 ARG A 71 -30.485 2.995 28.659 1.00 0.00 H +ATOM 1038 HB3 ARG A 71 -28.940 2.642 27.911 1.00 0.00 H +ATOM 1039 HG2 ARG A 71 -30.296 4.439 26.142 1.00 0.00 H +ATOM 1040 HG3 ARG A 71 -30.522 5.077 27.759 1.00 0.00 H +ATOM 1041 HD2 ARG A 71 -27.796 4.225 26.674 1.00 0.00 H +ATOM 1042 HD3 ARG A 71 -28.401 5.866 26.557 1.00 0.00 H +ATOM 1043 HE ARG A 71 -27.447 4.522 28.984 1.00 0.00 H +ATOM 1044 HH22 ARG A 71 -28.029 7.264 31.035 1.00 0.00 H +ATOM 1045 N ILE A 72 -30.051 0.216 25.282 1.00 0.00 N +ATOM 1046 CA ILE A 72 -29.158 -0.640 24.519 1.00 0.00 C +ATOM 1047 C ILE A 72 -28.998 -0.072 23.107 1.00 0.00 C +ATOM 1048 O ILE A 72 -29.931 0.516 22.561 1.00 0.00 O +ATOM 1049 CB ILE A 72 -29.651 -2.088 24.547 1.00 0.00 C +ATOM 1050 CG1 ILE A 72 -29.517 -2.686 25.949 1.00 0.00 C +ATOM 1051 CG2 ILE A 72 -28.931 -2.932 23.493 1.00 0.00 C +ATOM 1052 CD1 ILE A 72 -30.880 -2.780 26.637 1.00 0.00 C +ATOM 1053 H ILE A 72 -31.017 -0.037 25.239 1.00 0.00 H +ATOM 1054 HA ILE A 72 -28.186 -0.620 25.011 1.00 0.00 H +ATOM 1055 HB ILE A 72 -30.711 -2.093 24.295 1.00 0.00 H +ATOM 1056 HG12 ILE A 72 -29.069 -3.677 25.884 1.00 0.00 H +ATOM 1057 HG13 ILE A 72 -28.845 -2.071 26.547 1.00 0.00 H +ATOM 1058 HG21 ILE A 72 -29.086 -2.492 22.508 1.00 0.00 H +ATOM 1059 HG22 ILE A 72 -27.865 -2.959 23.715 1.00 0.00 H +ATOM 1060 HG23 ILE A 72 -29.331 -3.946 23.505 1.00 0.00 H +ATOM 1061 HD11 ILE A 72 -31.629 -3.106 25.916 1.00 0.00 H +ATOM 1062 HD12 ILE A 72 -30.825 -3.498 27.455 1.00 0.00 H +ATOM 1063 HD13 ILE A 72 -31.156 -1.802 27.031 1.00 0.00 H +ATOM 1064 N GLU A 73 -27.809 -0.268 22.556 1.00 0.00 N +ATOM 1065 CA GLU A 73 -27.515 0.217 21.218 1.00 0.00 C +ATOM 1066 C GLU A 73 -27.687 -0.908 20.196 1.00 0.00 C +ATOM 1067 O GLU A 73 -27.648 -2.085 20.550 1.00 0.00 O +ATOM 1068 CB GLU A 73 -26.107 0.812 21.148 1.00 0.00 C +ATOM 1069 CG GLU A 73 -26.161 2.320 20.894 1.00 0.00 C +ATOM 1070 CD GLU A 73 -26.341 3.090 22.204 1.00 0.00 C +ATOM 1071 OE1 GLU A 73 -27.071 2.633 23.096 1.00 0.00 O +ATOM 1072 OE2 GLU A 73 -25.690 4.201 22.277 1.00 0.00 O +ATOM 1073 H GLU A 73 -27.056 -0.747 23.007 1.00 0.00 H +ATOM 1074 HA GLU A 73 -28.245 1.004 21.029 1.00 0.00 H +ATOM 1075 HB2 GLU A 73 -25.578 0.615 22.080 1.00 0.00 H +ATOM 1076 HB3 GLU A 73 -25.543 0.325 20.353 1.00 0.00 H +ATOM 1077 HG2 GLU A 73 -25.243 2.642 20.402 1.00 0.00 H +ATOM 1078 HG3 GLU A 73 -26.983 2.549 20.217 1.00 0.00 H +ATOM 1079 N PRO A 74 -27.879 -0.495 18.914 1.00 0.00 N +ATOM 1080 CA PRO A 74 -28.057 -1.455 17.838 1.00 0.00 C +ATOM 1081 C PRO A 74 -26.727 -2.112 17.464 1.00 0.00 C +ATOM 1082 O PRO A 74 -25.661 -1.554 17.719 1.00 0.00 O +ATOM 1083 CB PRO A 74 -28.667 -0.658 16.697 1.00 0.00 C +ATOM 1084 CG PRO A 74 -28.380 0.802 17.008 1.00 0.00 C +ATOM 1085 CD PRO A 74 -27.932 0.890 18.457 1.00 0.00 C +ATOM 1086 HA PRO A 74 -28.657 -2.200 18.132 1.00 0.00 H +ATOM 1087 HB2 PRO A 74 -28.231 -0.947 15.741 1.00 0.00 H +ATOM 1088 HB3 PRO A 74 -29.740 -0.838 16.624 1.00 0.00 H +ATOM 1089 HG2 PRO A 74 -27.605 1.188 16.344 1.00 0.00 H +ATOM 1090 HG3 PRO A 74 -29.270 1.409 16.845 1.00 0.00 H +ATOM 1091 HD2 PRO A 74 -26.958 1.372 18.542 1.00 0.00 H +ATOM 1092 HD3 PRO A 74 -28.631 1.477 19.053 1.00 0.00 H +ATOM 1093 N ASP A 75 -26.833 -3.289 16.865 1.00 0.00 N +ATOM 1094 CA ASP A 75 -25.652 -4.029 16.453 1.00 0.00 C +ATOM 1095 C ASP A 75 -26.024 -4.985 15.318 1.00 0.00 C +ATOM 1096 O ASP A 75 -26.752 -5.953 15.530 1.00 0.00 O +ATOM 1097 CB ASP A 75 -25.093 -4.861 17.608 1.00 0.00 C +ATOM 1098 CG ASP A 75 -24.744 -4.067 18.868 1.00 0.00 C +ATOM 1099 OD1 ASP A 75 -23.892 -3.166 18.840 1.00 0.00 O +ATOM 1100 OD2 ASP A 75 -25.397 -4.409 19.927 1.00 0.00 O +ATOM 1101 H ASP A 75 -27.704 -3.737 16.660 1.00 0.00 H +ATOM 1102 HA ASP A 75 -24.934 -3.270 16.141 1.00 0.00 H +ATOM 1103 HB2 ASP A 75 -25.822 -5.628 17.870 1.00 0.00 H +ATOM 1104 HB3 ASP A 75 -24.197 -5.378 17.263 1.00 0.00 H +ATOM 1105 N SER A 76 -25.507 -4.679 14.136 1.00 0.00 N +ATOM 1106 CA SER A 76 -25.776 -5.500 12.968 1.00 0.00 C +ATOM 1107 C SER A 76 -24.578 -5.463 12.016 1.00 0.00 C +ATOM 1108 O SER A 76 -24.162 -4.392 11.577 1.00 0.00 O +ATOM 1109 CB SER A 76 -27.041 -5.032 12.246 1.00 0.00 C +ATOM 1110 OG SER A 76 -28.160 -5.865 12.537 1.00 0.00 O +ATOM 1111 H SER A 76 -24.916 -3.890 13.972 1.00 0.00 H +ATOM 1112 HA SER A 76 -25.929 -6.508 13.352 1.00 0.00 H +ATOM 1113 HB2 SER A 76 -27.267 -4.006 12.538 1.00 0.00 H +ATOM 1114 HB3 SER A 76 -26.864 -5.026 11.170 1.00 0.00 H +ATOM 1115 HG SER A 76 -28.475 -5.700 13.472 1.00 0.00 H +ATOM 1116 N GLU A 77 -24.057 -6.646 11.726 1.00 0.00 N +ATOM 1117 CA GLU A 77 -22.916 -6.763 10.835 1.00 0.00 C +ATOM 1118 C GLU A 77 -23.280 -7.610 9.614 1.00 0.00 C +ATOM 1119 O GLU A 77 -23.642 -8.778 9.750 1.00 0.00 O +ATOM 1120 CB GLU A 77 -21.706 -7.348 11.567 1.00 0.00 C +ATOM 1121 CG GLU A 77 -22.118 -8.524 12.454 1.00 0.00 C +ATOM 1122 CD GLU A 77 -22.366 -8.066 13.892 1.00 0.00 C +ATOM 1123 OE1 GLU A 77 -21.307 -7.961 14.622 1.00 0.00 O +ATOM 1124 OE2 GLU A 77 -23.521 -7.827 14.277 1.00 0.00 O +ATOM 1125 H GLU A 77 -24.402 -7.513 12.087 1.00 0.00 H +ATOM 1126 HA GLU A 77 -22.686 -5.744 10.523 1.00 0.00 H +ATOM 1127 HB2 GLU A 77 -20.962 -7.678 10.842 1.00 0.00 H +ATOM 1128 HB3 GLU A 77 -21.237 -6.575 12.176 1.00 0.00 H +ATOM 1129 HG2 GLU A 77 -23.021 -8.986 12.055 1.00 0.00 H +ATOM 1130 HG3 GLU A 77 -21.338 -9.285 12.441 1.00 0.00 H +ATOM 1131 N SER A 78 -23.171 -6.989 8.449 1.00 0.00 N +ATOM 1132 CA SER A 78 -23.484 -7.672 7.205 1.00 0.00 C +ATOM 1133 C SER A 78 -22.878 -6.911 6.023 1.00 0.00 C +ATOM 1134 O SER A 78 -23.409 -5.884 5.603 1.00 0.00 O +ATOM 1135 CB SER A 78 -24.996 -7.818 7.022 1.00 0.00 C +ATOM 1136 OG SER A 78 -25.339 -8.203 5.694 1.00 0.00 O +ATOM 1137 H SER A 78 -22.875 -6.039 8.347 1.00 0.00 H +ATOM 1138 HA SER A 78 -23.032 -8.660 7.296 1.00 0.00 H +ATOM 1139 HB2 SER A 78 -25.376 -8.560 7.724 1.00 0.00 H +ATOM 1140 HB3 SER A 78 -25.483 -6.873 7.263 1.00 0.00 H +ATOM 1141 HG SER A 78 -25.128 -7.461 5.057 1.00 0.00 H +ATOM 1142 N GLN A 79 -21.774 -7.444 5.521 1.00 0.00 N +ATOM 1143 CA GLN A 79 -21.090 -6.829 4.397 1.00 0.00 C +ATOM 1144 C GLN A 79 -20.718 -7.888 3.357 1.00 0.00 C +ATOM 1145 O GLN A 79 -20.027 -8.856 3.671 1.00 0.00 O +ATOM 1146 CB GLN A 79 -19.852 -6.059 4.862 1.00 0.00 C +ATOM 1147 CG GLN A 79 -20.013 -4.559 4.611 1.00 0.00 C +ATOM 1148 CD GLN A 79 -20.189 -4.268 3.120 1.00 0.00 C +ATOM 1149 OE1 GLN A 79 -19.512 -4.821 2.269 1.00 0.00 O +ATOM 1150 NE2 GLN A 79 -21.135 -3.373 2.851 1.00 0.00 N +ATOM 1151 H GLN A 79 -21.348 -8.280 5.869 1.00 0.00 H +ATOM 1152 HA GLN A 79 -21.807 -6.127 3.970 1.00 0.00 H +ATOM 1153 HB2 GLN A 79 -19.687 -6.238 5.925 1.00 0.00 H +ATOM 1154 HB3 GLN A 79 -18.971 -6.428 4.336 1.00 0.00 H +ATOM 1155 HG2 GLN A 79 -20.875 -4.184 5.163 1.00 0.00 H +ATOM 1156 HG3 GLN A 79 -19.138 -4.028 4.988 1.00 0.00 H +ATOM 1157 HE21 GLN A 79 -21.656 -2.956 3.597 1.00 0.00 H +ATOM 1158 HE22 GLN A 79 -21.326 -3.116 1.904 1.00 0.00 H +ATOM 1159 N GLU A 80 -21.193 -7.668 2.140 1.00 0.00 N +ATOM 1160 CA GLU A 80 -20.919 -8.592 1.052 1.00 0.00 C +ATOM 1161 C GLU A 80 -19.504 -8.374 0.514 1.00 0.00 C +ATOM 1162 O GLU A 80 -18.906 -7.322 0.737 1.00 0.00 O +ATOM 1163 CB GLU A 80 -21.958 -8.449 -0.063 1.00 0.00 C +ATOM 1164 CG GLU A 80 -22.892 -9.660 -0.100 1.00 0.00 C +ATOM 1165 CD GLU A 80 -24.139 -9.365 -0.937 1.00 0.00 C +ATOM 1166 OE1 GLU A 80 -24.507 -8.193 -1.109 1.00 0.00 O +ATOM 1167 OE2 GLU A 80 -24.730 -10.404 -1.419 1.00 0.00 O +ATOM 1168 H GLU A 80 -21.754 -6.878 1.892 1.00 0.00 H +ATOM 1169 HA GLU A 80 -21.000 -9.587 1.489 1.00 0.00 H +ATOM 1170 HB2 GLU A 80 -22.539 -7.540 0.091 1.00 0.00 H +ATOM 1171 HB3 GLU A 80 -21.453 -8.345 -1.024 1.00 0.00 H +ATOM 1172 HG2 GLU A 80 -22.365 -10.518 -0.516 1.00 0.00 H +ATOM 1173 HG3 GLU A 80 -23.187 -9.927 0.915 1.00 0.00 H +ATOM 1174 N GLU A 81 -19.008 -9.385 -0.184 1.00 0.00 N +ATOM 1175 CA GLU A 81 -17.674 -9.317 -0.756 1.00 0.00 C +ATOM 1176 C GLU A 81 -16.622 -9.289 0.355 1.00 0.00 C +ATOM 1177 O GLU A 81 -16.569 -8.345 1.141 1.00 0.00 O +ATOM 1178 CB GLU A 81 -17.533 -8.102 -1.675 1.00 0.00 C +ATOM 1179 CG GLU A 81 -17.847 -8.474 -3.126 1.00 0.00 C +ATOM 1180 CD GLU A 81 -19.205 -7.913 -3.553 1.00 0.00 C +ATOM 1181 OE1 GLU A 81 -20.166 -7.951 -2.771 1.00 0.00 O +ATOM 1182 OE2 GLU A 81 -19.242 -7.422 -4.746 1.00 0.00 O +ATOM 1183 H GLU A 81 -19.501 -10.237 -0.361 1.00 0.00 H +ATOM 1184 HA GLU A 81 -17.565 -10.227 -1.346 1.00 0.00 H +ATOM 1185 HB2 GLU A 81 -18.205 -7.311 -1.345 1.00 0.00 H +ATOM 1186 HB3 GLU A 81 -16.519 -7.707 -1.609 1.00 0.00 H +ATOM 1187 HG2 GLU A 81 -17.067 -8.087 -3.782 1.00 0.00 H +ATOM 1188 HG3 GLU A 81 -17.847 -9.558 -3.236 1.00 0.00 H +ATOM 1189 N ILE A 82 -15.810 -10.336 0.383 1.00 0.00 N +ATOM 1190 CA ILE A 82 -14.762 -10.443 1.384 1.00 0.00 C +ATOM 1191 C ILE A 82 -13.431 -10.003 0.772 1.00 0.00 C +ATOM 1192 O ILE A 82 -12.616 -9.370 1.441 1.00 0.00 O +ATOM 1193 CB ILE A 82 -14.730 -11.853 1.977 1.00 0.00 C +ATOM 1194 CG1 ILE A 82 -14.899 -12.911 0.884 1.00 0.00 C +ATOM 1195 CG2 ILE A 82 -15.770 -12.005 3.088 1.00 0.00 C +ATOM 1196 CD1 ILE A 82 -14.300 -14.250 1.320 1.00 0.00 C +ATOM 1197 H ILE A 82 -15.860 -11.100 -0.260 1.00 0.00 H +ATOM 1198 HA ILE A 82 -15.013 -9.759 2.195 1.00 0.00 H +ATOM 1199 HB ILE A 82 -13.751 -12.011 2.429 1.00 0.00 H +ATOM 1200 HG12 ILE A 82 -15.958 -13.039 0.658 1.00 0.00 H +ATOM 1201 HG13 ILE A 82 -14.416 -12.573 -0.032 1.00 0.00 H +ATOM 1202 HG21 ILE A 82 -16.687 -11.490 2.801 1.00 0.00 H +ATOM 1203 HG22 ILE A 82 -15.983 -13.063 3.245 1.00 0.00 H +ATOM 1204 HG23 ILE A 82 -15.383 -11.572 4.010 1.00 0.00 H +ATOM 1205 HD11 ILE A 82 -14.595 -14.463 2.347 1.00 0.00 H +ATOM 1206 HD12 ILE A 82 -14.665 -15.041 0.665 1.00 0.00 H +ATOM 1207 HD13 ILE A 82 -13.213 -14.199 1.257 1.00 0.00 H +ATOM 1208 N ILE A 83 -13.253 -10.355 -0.492 1.00 0.00 N +ATOM 1209 CA ILE A 83 -12.034 -10.003 -1.202 1.00 0.00 C +ATOM 1210 C ILE A 83 -11.784 -8.500 -1.064 1.00 0.00 C +ATOM 1211 O ILE A 83 -10.725 -8.084 -0.598 1.00 0.00 O +ATOM 1212 CB ILE A 83 -12.102 -10.485 -2.653 1.00 0.00 C +ATOM 1213 CG1 ILE A 83 -11.265 -11.750 -2.850 1.00 0.00 C +ATOM 1214 CG2 ILE A 83 -11.693 -9.371 -3.620 1.00 0.00 C +ATOM 1215 CD1 ILE A 83 -12.130 -13.006 -2.718 1.00 0.00 C +ATOM 1216 H ILE A 83 -13.921 -10.869 -1.029 1.00 0.00 H +ATOM 1217 HA ILE A 83 -11.212 -10.536 -0.724 1.00 0.00 H +ATOM 1218 HB ILE A 83 -13.136 -10.744 -2.879 1.00 0.00 H +ATOM 1219 HG12 ILE A 83 -10.794 -11.730 -3.833 1.00 0.00 H +ATOM 1220 HG13 ILE A 83 -10.462 -11.778 -2.113 1.00 0.00 H +ATOM 1221 HG21 ILE A 83 -10.810 -8.862 -3.235 1.00 0.00 H +ATOM 1222 HG22 ILE A 83 -11.468 -9.802 -4.595 1.00 0.00 H +ATOM 1223 HG23 ILE A 83 -12.511 -8.657 -3.717 1.00 0.00 H +ATOM 1224 HD11 ILE A 83 -13.178 -12.718 -2.634 1.00 0.00 H +ATOM 1225 HD12 ILE A 83 -11.995 -13.634 -3.598 1.00 0.00 H +ATOM 1226 HD13 ILE A 83 -11.833 -13.559 -1.827 1.00 0.00 H +ATOM 1227 N HIS A 84 -12.778 -7.727 -1.477 1.00 0.00 N +ATOM 1228 CA HIS A 84 -12.679 -6.279 -1.406 1.00 0.00 C +ATOM 1229 C HIS A 84 -12.345 -5.858 0.027 1.00 0.00 C +ATOM 1230 O HIS A 84 -11.559 -4.936 0.239 1.00 0.00 O +ATOM 1231 CB HIS A 84 -13.954 -5.620 -1.936 1.00 0.00 C +ATOM 1232 CG HIS A 84 -14.112 -5.707 -3.435 1.00 0.00 C +ATOM 1233 ND1 HIS A 84 -14.225 -6.910 -4.109 1.00 0.00 N +ATOM 1234 CD2 HIS A 84 -14.176 -4.727 -4.382 1.00 0.00 C +ATOM 1235 CE1 HIS A 84 -14.349 -6.655 -5.403 1.00 0.00 C +ATOM 1236 NE2 HIS A 84 -14.318 -5.301 -5.570 1.00 0.00 N +ATOM 1237 H HIS A 84 -13.636 -8.074 -1.855 1.00 0.00 H +ATOM 1238 HA HIS A 84 -11.857 -5.989 -2.061 1.00 0.00 H +ATOM 1239 HB2 HIS A 84 -14.816 -6.089 -1.462 1.00 0.00 H +ATOM 1240 HB3 HIS A 84 -13.958 -4.571 -1.640 1.00 0.00 H +ATOM 1241 HD1 HIS A 84 -14.214 -7.818 -3.690 1.00 0.00 H +ATOM 1242 HD2 HIS A 84 -14.119 -3.655 -4.195 1.00 0.00 H +ATOM 1243 HE1 HIS A 84 -14.458 -7.396 -6.195 1.00 0.00 H +ATOM 1244 N ASN A 85 -12.959 -6.554 0.972 1.00 0.00 N +ATOM 1245 CA ASN A 85 -12.737 -6.263 2.379 1.00 0.00 C +ATOM 1246 C ASN A 85 -11.236 -6.307 2.673 1.00 0.00 C +ATOM 1247 O ASN A 85 -10.711 -5.436 3.365 1.00 0.00 O +ATOM 1248 CB ASN A 85 -13.424 -7.300 3.270 1.00 0.00 C +ATOM 1249 CG ASN A 85 -14.013 -6.643 4.520 1.00 0.00 C +ATOM 1250 OD1 ASN A 85 -13.522 -6.802 5.626 1.00 0.00 O +ATOM 1251 ND2 ASN A 85 -15.090 -5.900 4.284 1.00 0.00 N +ATOM 1252 H ASN A 85 -13.597 -7.302 0.791 1.00 0.00 H +ATOM 1253 HA ASN A 85 -13.165 -5.274 2.538 1.00 0.00 H +ATOM 1254 HB2 ASN A 85 -14.215 -7.799 2.710 1.00 0.00 H +ATOM 1255 HB3 ASN A 85 -12.707 -8.067 3.561 1.00 0.00 H +ATOM 1256 HD21 ASN A 85 -15.442 -5.811 3.353 1.00 0.00 H +ATOM 1257 HD22 ASN A 85 -15.548 -5.429 5.039 1.00 0.00 H +ATOM 1258 N ILE A 86 -10.589 -7.329 2.134 1.00 0.00 N +ATOM 1259 CA ILE A 86 -9.160 -7.498 2.330 1.00 0.00 C +ATOM 1260 C ILE A 86 -8.423 -6.292 1.743 1.00 0.00 C +ATOM 1261 O ILE A 86 -7.405 -5.859 2.281 1.00 0.00 O +ATOM 1262 CB ILE A 86 -8.695 -8.839 1.761 1.00 0.00 C +ATOM 1263 CG1 ILE A 86 -7.721 -9.533 2.716 1.00 0.00 C +ATOM 1264 CG2 ILE A 86 -8.099 -8.665 0.362 1.00 0.00 C +ATOM 1265 CD1 ILE A 86 -8.463 -10.144 3.906 1.00 0.00 C +ATOM 1266 H ILE A 86 -11.025 -8.033 1.572 1.00 0.00 H +ATOM 1267 HA ILE A 86 -8.978 -7.523 3.404 1.00 0.00 H +ATOM 1268 HB ILE A 86 -9.565 -9.488 1.661 1.00 0.00 H +ATOM 1269 HG12 ILE A 86 -7.176 -10.312 2.183 1.00 0.00 H +ATOM 1270 HG13 ILE A 86 -6.983 -8.815 3.073 1.00 0.00 H +ATOM 1271 HG21 ILE A 86 -8.620 -7.860 -0.157 1.00 0.00 H +ATOM 1272 HG22 ILE A 86 -7.041 -8.418 0.446 1.00 0.00 H +ATOM 1273 HG23 ILE A 86 -8.213 -9.592 -0.199 1.00 0.00 H +ATOM 1274 HD11 ILE A 86 -9.463 -9.717 3.969 1.00 0.00 H +ATOM 1275 HD12 ILE A 86 -8.536 -11.224 3.773 1.00 0.00 H +ATOM 1276 HD13 ILE A 86 -7.917 -9.928 4.824 1.00 0.00 H +ATOM 1277 N ALA A 87 -8.966 -5.784 0.646 1.00 0.00 N +ATOM 1278 CA ALA A 87 -8.373 -4.637 -0.020 1.00 0.00 C +ATOM 1279 C ALA A 87 -8.279 -3.472 0.967 1.00 0.00 C +ATOM 1280 O ALA A 87 -7.190 -2.964 1.232 1.00 0.00 O +ATOM 1281 CB ALA A 87 -9.196 -4.285 -1.261 1.00 0.00 C +ATOM 1282 H ALA A 87 -9.794 -6.142 0.214 1.00 0.00 H +ATOM 1283 HA ALA A 87 -7.368 -4.918 -0.334 1.00 0.00 H +ATOM 1284 HB1 ALA A 87 -10.053 -4.956 -1.331 1.00 0.00 H +ATOM 1285 HB2 ALA A 87 -9.546 -3.256 -1.185 1.00 0.00 H +ATOM 1286 HB3 ALA A 87 -8.577 -4.394 -2.151 1.00 0.00 H +ATOM 1287 N ARG A 88 -9.435 -3.081 1.484 1.00 0.00 N +ATOM 1288 CA ARG A 88 -9.496 -1.985 2.436 1.00 0.00 C +ATOM 1289 C ARG A 88 -8.746 -2.353 3.717 1.00 0.00 C +ATOM 1290 O ARG A 88 -8.090 -1.505 4.322 1.00 0.00 O +ATOM 1291 CB ARG A 88 -10.946 -1.638 2.782 1.00 0.00 C +ATOM 1292 CG ARG A 88 -11.455 -2.503 3.937 1.00 0.00 C +ATOM 1293 CD ARG A 88 -12.845 -2.051 4.389 1.00 0.00 C +ATOM 1294 NE ARG A 88 -12.968 -2.184 5.858 1.00 0.00 N +ATOM 1295 CZ ARG A 88 -13.881 -1.527 6.604 1.00 0.00 C +ATOM 1296 NH1 ARG A 88 -14.760 -0.682 6.024 1.00 0.00 N +ATOM 1297 NH2 ARG A 88 -13.900 -1.722 7.909 1.00 0.00 N +ATOM 1298 H ARG A 88 -10.316 -3.499 1.263 1.00 0.00 H +ATOM 1299 HA ARG A 88 -9.018 -1.148 1.928 1.00 0.00 H +ATOM 1300 HB2 ARG A 88 -11.016 -0.585 3.054 1.00 0.00 H +ATOM 1301 HB3 ARG A 88 -11.578 -1.784 1.907 1.00 0.00 H +ATOM 1302 HG2 ARG A 88 -11.493 -3.547 3.624 1.00 0.00 H +ATOM 1303 HG3 ARG A 88 -10.760 -2.446 4.774 1.00 0.00 H +ATOM 1304 HD2 ARG A 88 -13.013 -1.015 4.095 1.00 0.00 H +ATOM 1305 HD3 ARG A 88 -13.610 -2.650 3.896 1.00 0.00 H +ATOM 1306 HE ARG A 88 -12.335 -2.800 6.327 1.00 0.00 H +ATOM 1307 HH22 ARG A 88 -14.543 -1.275 8.532 1.00 0.00 H +ATOM 1308 N HIS A 89 -8.868 -3.617 4.095 1.00 0.00 N +ATOM 1309 CA HIS A 89 -8.210 -4.107 5.294 1.00 0.00 C +ATOM 1310 C HIS A 89 -6.704 -3.857 5.191 1.00 0.00 C +ATOM 1311 O HIS A 89 -6.018 -3.746 6.207 1.00 0.00 O +ATOM 1312 CB HIS A 89 -8.551 -5.578 5.539 1.00 0.00 C +ATOM 1313 CG HIS A 89 -7.870 -6.173 6.748 1.00 0.00 C +ATOM 1314 ND1 HIS A 89 -7.145 -7.351 6.695 1.00 0.00 N +ATOM 1315 CD2 HIS A 89 -7.811 -5.742 8.040 1.00 0.00 C +ATOM 1316 CE1 HIS A 89 -6.676 -7.607 7.908 1.00 0.00 C +ATOM 1317 NE2 HIS A 89 -7.090 -6.609 8.740 1.00 0.00 N +ATOM 1318 H HIS A 89 -9.403 -4.300 3.598 1.00 0.00 H +ATOM 1319 HA HIS A 89 -8.609 -3.530 6.128 1.00 0.00 H +ATOM 1320 HB2 HIS A 89 -9.630 -5.675 5.658 1.00 0.00 H +ATOM 1321 HB3 HIS A 89 -8.274 -6.156 4.657 1.00 0.00 H +ATOM 1322 HD1 HIS A 89 -7.000 -7.913 5.881 1.00 0.00 H +ATOM 1323 HD2 HIS A 89 -8.277 -4.837 8.432 1.00 0.00 H +ATOM 1324 HE1 HIS A 89 -6.066 -8.465 8.191 1.00 0.00 H +ATOM 1325 N LEU A 90 -6.233 -3.774 3.955 1.00 0.00 N +ATOM 1326 CA LEU A 90 -4.821 -3.539 3.707 1.00 0.00 C +ATOM 1327 C LEU A 90 -4.383 -2.269 4.439 1.00 0.00 C +ATOM 1328 O LEU A 90 -3.499 -2.315 5.293 1.00 0.00 O +ATOM 1329 CB LEU A 90 -4.539 -3.510 2.203 1.00 0.00 C +ATOM 1330 CG LEU A 90 -3.407 -4.416 1.715 1.00 0.00 C +ATOM 1331 CD1 LEU A 90 -3.914 -5.835 1.453 1.00 0.00 C +ATOM 1332 CD2 LEU A 90 -2.716 -3.818 0.488 1.00 0.00 C +ATOM 1333 H LEU A 90 -6.797 -3.865 3.135 1.00 0.00 H +ATOM 1334 HA LEU A 90 -4.271 -4.384 4.121 1.00 0.00 H +ATOM 1335 HB2 LEU A 90 -5.453 -3.789 1.677 1.00 0.00 H +ATOM 1336 HB3 LEU A 90 -4.307 -2.485 1.917 1.00 0.00 H +ATOM 1337 HG LEU A 90 -2.659 -4.483 2.505 1.00 0.00 H +ATOM 1338 HD11 LEU A 90 -5.004 -5.839 1.459 1.00 0.00 H +ATOM 1339 HD12 LEU A 90 -3.556 -6.175 0.481 1.00 0.00 H +ATOM 1340 HD13 LEU A 90 -3.544 -6.503 2.230 1.00 0.00 H +ATOM 1341 HD21 LEU A 90 -3.004 -2.772 0.383 1.00 0.00 H +ATOM 1342 HD22 LEU A 90 -1.635 -3.887 0.610 1.00 0.00 H +ATOM 1343 HD23 LEU A 90 -3.017 -4.369 -0.403 1.00 0.00 H +ATOM 1344 N ALA A 91 -5.022 -1.166 4.077 1.00 0.00 N +ATOM 1345 CA ALA A 91 -4.709 0.114 4.689 1.00 0.00 C +ATOM 1346 C ALA A 91 -4.837 -0.007 6.209 1.00 0.00 C +ATOM 1347 O ALA A 91 -3.915 0.346 6.943 1.00 0.00 O +ATOM 1348 CB ALA A 91 -5.626 1.194 4.111 1.00 0.00 C +ATOM 1349 H ALA A 91 -5.739 -1.138 3.381 1.00 0.00 H +ATOM 1350 HA ALA A 91 -3.677 0.359 4.438 1.00 0.00 H +ATOM 1351 HB1 ALA A 91 -5.943 0.904 3.110 1.00 0.00 H +ATOM 1352 HB2 ALA A 91 -6.502 1.307 4.751 1.00 0.00 H +ATOM 1353 HB3 ALA A 91 -5.088 2.140 4.062 1.00 0.00 H +ATOM 1354 N GLN A 92 -5.987 -0.507 6.636 1.00 0.00 N +ATOM 1355 CA GLN A 92 -6.247 -0.680 8.055 1.00 0.00 C +ATOM 1356 C GLN A 92 -5.061 -1.369 8.732 1.00 0.00 C +ATOM 1357 O GLN A 92 -4.740 -1.073 9.882 1.00 0.00 O +ATOM 1358 CB GLN A 92 -7.540 -1.464 8.284 1.00 0.00 C +ATOM 1359 CG GLN A 92 -8.443 -0.749 9.293 1.00 0.00 C +ATOM 1360 CD GLN A 92 -9.777 -1.482 9.450 1.00 0.00 C +ATOM 1361 OE1 GLN A 92 -9.835 -2.687 9.634 1.00 0.00 O +ATOM 1362 NE2 GLN A 92 -10.842 -0.691 9.367 1.00 0.00 N +ATOM 1363 H GLN A 92 -6.731 -0.792 6.032 1.00 0.00 H +ATOM 1364 HA GLN A 92 -6.365 0.328 8.453 1.00 0.00 H +ATOM 1365 HB2 GLN A 92 -8.069 -1.584 7.339 1.00 0.00 H +ATOM 1366 HB3 GLN A 92 -7.305 -2.464 8.647 1.00 0.00 H +ATOM 1367 HG2 GLN A 92 -7.940 -0.690 10.258 1.00 0.00 H +ATOM 1368 HG3 GLN A 92 -8.623 0.274 8.964 1.00 0.00 H +ATOM 1369 HE21 GLN A 92 -10.725 0.291 9.215 1.00 0.00 H +ATOM 1370 HE22 GLN A 92 -11.760 -1.077 9.458 1.00 0.00 H +ATOM 1371 N ILE A 93 -4.442 -2.276 7.990 1.00 0.00 N +ATOM 1372 CA ILE A 93 -3.298 -3.010 8.505 1.00 0.00 C +ATOM 1373 C ILE A 93 -2.100 -2.065 8.617 1.00 0.00 C +ATOM 1374 O ILE A 93 -1.282 -2.200 9.526 1.00 0.00 O +ATOM 1375 CB ILE A 93 -3.026 -4.248 7.647 1.00 0.00 C +ATOM 1376 CG1 ILE A 93 -4.117 -5.302 7.846 1.00 0.00 C +ATOM 1377 CG2 ILE A 93 -1.630 -4.809 7.921 1.00 0.00 C +ATOM 1378 CD1 ILE A 93 -3.915 -6.059 9.161 1.00 0.00 C +ATOM 1379 H ILE A 93 -4.709 -2.511 7.056 1.00 0.00 H +ATOM 1380 HA ILE A 93 -3.557 -3.360 9.504 1.00 0.00 H +ATOM 1381 HB ILE A 93 -3.054 -3.950 6.599 1.00 0.00 H +ATOM 1382 HG12 ILE A 93 -5.096 -4.823 7.845 1.00 0.00 H +ATOM 1383 HG13 ILE A 93 -4.105 -6.005 7.013 1.00 0.00 H +ATOM 1384 HG21 ILE A 93 -1.153 -4.228 8.711 1.00 0.00 H +ATOM 1385 HG22 ILE A 93 -1.711 -5.849 8.235 1.00 0.00 H +ATOM 1386 HG23 ILE A 93 -1.029 -4.749 7.013 1.00 0.00 H +ATOM 1387 HD11 ILE A 93 -3.193 -5.526 9.779 1.00 0.00 H +ATOM 1388 HD12 ILE A 93 -4.865 -6.128 9.690 1.00 0.00 H +ATOM 1389 HD13 ILE A 93 -3.542 -7.061 8.949 1.00 0.00 H +ATOM 1390 N GLY A 94 -2.034 -1.130 7.682 1.00 0.00 N +ATOM 1391 CA GLY A 94 -0.950 -0.163 7.665 1.00 0.00 C +ATOM 1392 C GLY A 94 -0.889 0.616 8.980 1.00 0.00 C +ATOM 1393 O GLY A 94 0.160 0.683 9.618 1.00 0.00 O +ATOM 1394 H GLY A 94 -2.704 -1.027 6.946 1.00 0.00 H +ATOM 1395 HA2 GLY A 94 -0.003 -0.676 7.497 1.00 0.00 H +ATOM 1396 HA3 GLY A 94 -1.088 0.530 6.834 1.00 0.00 H +ATOM 1397 N ASP A 95 -2.028 1.185 9.347 1.00 0.00 N +ATOM 1398 CA ASP A 95 -2.117 1.956 10.575 1.00 0.00 C +ATOM 1399 C ASP A 95 -1.767 1.058 11.763 1.00 0.00 C +ATOM 1400 O ASP A 95 -0.908 1.402 12.574 1.00 0.00 O +ATOM 1401 CB ASP A 95 -3.535 2.490 10.789 1.00 0.00 C +ATOM 1402 CG ASP A 95 -3.732 3.311 12.065 1.00 0.00 C +ATOM 1403 OD1 ASP A 95 -2.764 3.651 12.761 1.00 0.00 O +ATOM 1404 OD2 ASP A 95 -4.958 3.606 12.339 1.00 0.00 O +ATOM 1405 H ASP A 95 -2.877 1.126 8.823 1.00 0.00 H +ATOM 1406 HA ASP A 95 -1.411 2.777 10.450 1.00 0.00 H +ATOM 1407 HB2 ASP A 95 -3.808 3.107 9.932 1.00 0.00 H +ATOM 1408 HB3 ASP A 95 -4.226 1.647 10.807 1.00 0.00 H +ATOM 1409 N GLU A 96 -2.449 -0.076 11.829 1.00 0.00 N +ATOM 1410 CA GLU A 96 -2.220 -1.026 12.904 1.00 0.00 C +ATOM 1411 C GLU A 96 -0.748 -1.440 12.942 1.00 0.00 C +ATOM 1412 O GLU A 96 -0.160 -1.557 14.016 1.00 0.00 O +ATOM 1413 CB GLU A 96 -3.130 -2.248 12.759 1.00 0.00 C +ATOM 1414 CG GLU A 96 -3.254 -2.999 14.086 1.00 0.00 C +ATOM 1415 CD GLU A 96 -2.441 -4.296 14.059 1.00 0.00 C +ATOM 1416 OE1 GLU A 96 -2.938 -5.235 13.328 1.00 0.00 O +ATOM 1417 OE2 GLU A 96 -1.391 -4.383 14.712 1.00 0.00 O +ATOM 1418 H GLU A 96 -3.146 -0.348 11.165 1.00 0.00 H +ATOM 1419 HA GLU A 96 -2.479 -0.495 13.820 1.00 0.00 H +ATOM 1420 HB2 GLU A 96 -4.117 -1.932 12.422 1.00 0.00 H +ATOM 1421 HB3 GLU A 96 -2.730 -2.914 11.995 1.00 0.00 H +ATOM 1422 HG2 GLU A 96 -2.906 -2.365 14.901 1.00 0.00 H +ATOM 1423 HG3 GLU A 96 -4.302 -3.226 14.282 1.00 0.00 H +ATOM 1424 N MET A 97 -0.194 -1.650 11.757 1.00 0.00 N +ATOM 1425 CA MET A 97 1.198 -2.048 11.641 1.00 0.00 C +ATOM 1426 C MET A 97 2.109 -1.087 12.408 1.00 0.00 C +ATOM 1427 O MET A 97 3.010 -1.519 13.125 1.00 0.00 O +ATOM 1428 CB MET A 97 1.603 -2.067 10.166 1.00 0.00 C +ATOM 1429 CG MET A 97 1.973 -3.483 9.718 1.00 0.00 C +ATOM 1430 SD MET A 97 3.152 -4.194 10.854 1.00 0.00 S +ATOM 1431 CE MET A 97 3.631 -5.647 9.934 1.00 0.00 C +ATOM 1432 H MET A 97 -0.679 -1.552 10.888 1.00 0.00 H +ATOM 1433 HA MET A 97 1.256 -3.043 12.082 1.00 0.00 H +ATOM 1434 HB2 MET A 97 0.782 -1.692 9.555 1.00 0.00 H +ATOM 1435 HB3 MET A 97 2.450 -1.399 10.008 1.00 0.00 H +ATOM 1436 HG2 MET A 97 1.079 -4.104 9.672 1.00 0.00 H +ATOM 1437 HG3 MET A 97 2.395 -3.456 8.713 1.00 0.00 H +ATOM 1438 HE1 MET A 97 3.492 -5.465 8.868 1.00 0.00 H +ATOM 1439 HE2 MET A 97 4.680 -5.871 10.129 1.00 0.00 H +ATOM 1440 HE3 MET A 97 3.015 -6.492 10.242 1.00 0.00 H +ATOM 1441 N ASP A 98 1.842 0.199 12.231 1.00 0.00 N +ATOM 1442 CA ASP A 98 2.626 1.224 12.897 1.00 0.00 C +ATOM 1443 C ASP A 98 2.954 0.766 14.320 1.00 0.00 C +ATOM 1444 O ASP A 98 3.984 1.145 14.876 1.00 0.00 O +ATOM 1445 CB ASP A 98 1.848 2.538 12.991 1.00 0.00 C +ATOM 1446 CG ASP A 98 2.608 3.695 13.644 1.00 0.00 C +ATOM 1447 OD1 ASP A 98 3.859 3.767 13.338 1.00 0.00 O +ATOM 1448 OD2 ASP A 98 2.034 4.487 14.406 1.00 0.00 O +ATOM 1449 H ASP A 98 1.107 0.542 11.646 1.00 0.00 H +ATOM 1450 HA ASP A 98 3.518 1.347 12.283 1.00 0.00 H +ATOM 1451 HB2 ASP A 98 1.551 2.840 11.987 1.00 0.00 H +ATOM 1452 HB3 ASP A 98 0.932 2.361 13.555 1.00 0.00 H +ATOM 1453 N HIS A 99 2.059 -0.042 14.868 1.00 0.00 N +ATOM 1454 CA HIS A 99 2.240 -0.556 16.215 1.00 0.00 C +ATOM 1455 C HIS A 99 3.631 -1.182 16.343 1.00 0.00 C +ATOM 1456 O HIS A 99 4.393 -0.829 17.241 1.00 0.00 O +ATOM 1457 CB HIS A 99 1.117 -1.529 16.581 1.00 0.00 C +ATOM 1458 CG HIS A 99 1.075 -1.896 18.045 1.00 0.00 C +ATOM 1459 ND1 HIS A 99 0.253 -2.890 18.546 1.00 0.00 N +ATOM 1460 CD2 HIS A 99 1.763 -1.393 19.110 1.00 0.00 C +ATOM 1461 CE1 HIS A 99 0.444 -2.972 19.854 1.00 0.00 C +ATOM 1462 NE2 HIS A 99 1.381 -2.043 20.202 1.00 0.00 N +ATOM 1463 H HIS A 99 1.224 -0.346 14.408 1.00 0.00 H +ATOM 1464 HA HIS A 99 2.172 0.298 16.887 1.00 0.00 H +ATOM 1465 HB2 HIS A 99 0.161 -1.086 16.301 1.00 0.00 H +ATOM 1466 HB3 HIS A 99 1.231 -2.439 15.992 1.00 0.00 H +ATOM 1467 HD1 HIS A 99 -0.379 -3.451 18.011 1.00 0.00 H +ATOM 1468 HD2 HIS A 99 2.502 -0.592 19.070 1.00 0.00 H +ATOM 1469 HE1 HIS A 99 -0.058 -3.661 20.533 1.00 0.00 H +ATOM 1470 N ASN A 100 3.918 -2.099 15.431 1.00 0.00 N +ATOM 1471 CA ASN A 100 5.203 -2.777 15.431 1.00 0.00 C +ATOM 1472 C ASN A 100 5.599 -3.110 13.991 1.00 0.00 C +ATOM 1473 O ASN A 100 5.333 -4.210 13.509 1.00 0.00 O +ATOM 1474 CB ASN A 100 5.135 -4.087 16.218 1.00 0.00 C +ATOM 1475 CG ASN A 100 6.279 -4.179 17.229 1.00 0.00 C +ATOM 1476 OD1 ASN A 100 7.253 -3.447 17.173 1.00 0.00 O +ATOM 1477 ND2 ASN A 100 6.108 -5.118 18.156 1.00 0.00 N +ATOM 1478 H ASN A 100 3.292 -2.380 14.704 1.00 0.00 H +ATOM 1479 HA ASN A 100 5.895 -2.079 15.903 1.00 0.00 H +ATOM 1480 HB2 ASN A 100 4.179 -4.155 16.737 1.00 0.00 H +ATOM 1481 HB3 ASN A 100 5.184 -4.932 15.530 1.00 0.00 H +ATOM 1482 HD21 ASN A 100 5.285 -5.686 18.146 1.00 0.00 H +ATOM 1483 HD22 ASN A 100 6.802 -5.256 18.862 1.00 0.00 H +ATOM 1484 N ILE A 101 6.229 -2.140 13.345 1.00 0.00 N +ATOM 1485 CA ILE A 101 6.664 -2.316 11.970 1.00 0.00 C +ATOM 1486 C ILE A 101 8.186 -2.183 11.900 1.00 0.00 C +ATOM 1487 O ILE A 101 8.703 -1.183 11.404 1.00 0.00 O +ATOM 1488 CB ILE A 101 5.919 -1.352 11.044 1.00 0.00 C +ATOM 1489 CG1 ILE A 101 5.719 -1.967 9.658 1.00 0.00 C +ATOM 1490 CG2 ILE A 101 6.631 0.000 10.973 1.00 0.00 C +ATOM 1491 CD1 ILE A 101 5.243 -0.915 8.654 1.00 0.00 C +ATOM 1492 H ILE A 101 6.442 -1.248 13.744 1.00 0.00 H +ATOM 1493 HA ILE A 101 6.392 -3.327 11.668 1.00 0.00 H +ATOM 1494 HB ILE A 101 4.929 -1.173 11.463 1.00 0.00 H +ATOM 1495 HG12 ILE A 101 6.654 -2.408 9.313 1.00 0.00 H +ATOM 1496 HG13 ILE A 101 4.989 -2.775 9.717 1.00 0.00 H +ATOM 1497 HG21 ILE A 101 7.144 0.191 11.916 1.00 0.00 H +ATOM 1498 HG22 ILE A 101 7.358 -0.014 10.161 1.00 0.00 H +ATOM 1499 HG23 ILE A 101 5.899 0.787 10.792 1.00 0.00 H +ATOM 1500 HD11 ILE A 101 5.954 -0.089 8.630 1.00 0.00 H +ATOM 1501 HD12 ILE A 101 5.174 -1.363 7.663 1.00 0.00 H +ATOM 1502 HD13 ILE A 101 4.263 -0.543 8.954 1.00 0.00 H +ATOM 1503 N GLN A 102 8.862 -3.205 12.405 1.00 0.00 N +ATOM 1504 CA GLN A 102 10.315 -3.214 12.406 1.00 0.00 C +ATOM 1505 C GLN A 102 10.838 -4.170 13.480 1.00 0.00 C +ATOM 1506 O GLN A 102 11.615 -3.772 14.346 1.00 0.00 O +ATOM 1507 CB GLN A 102 10.872 -1.804 12.610 1.00 0.00 C +ATOM 1508 CG GLN A 102 11.394 -1.225 11.293 1.00 0.00 C +ATOM 1509 CD GLN A 102 11.814 0.236 11.464 1.00 0.00 C +ATOM 1510 OE1 GLN A 102 11.034 1.157 11.291 1.00 0.00 O +ATOM 1511 NE2 GLN A 102 13.088 0.395 11.813 1.00 0.00 N +ATOM 1512 H GLN A 102 8.434 -4.014 12.807 1.00 0.00 H +ATOM 1513 HA GLN A 102 10.603 -3.573 11.418 1.00 0.00 H +ATOM 1514 HB2 GLN A 102 10.093 -1.156 13.012 1.00 0.00 H +ATOM 1515 HB3 GLN A 102 11.677 -1.829 13.344 1.00 0.00 H +ATOM 1516 HG2 GLN A 102 12.243 -1.813 10.945 1.00 0.00 H +ATOM 1517 HG3 GLN A 102 10.621 -1.298 10.528 1.00 0.00 H +ATOM 1518 HE21 GLN A 102 13.675 -0.404 11.939 1.00 0.00 H +ATOM 1519 HE22 GLN A 102 13.457 1.314 11.949 1.00 0.00 H +ATOM 1520 N PRO A 103 10.380 -5.447 13.385 1.00 0.00 N +ATOM 1521 CA PRO A 103 10.794 -6.464 14.337 1.00 0.00 C +ATOM 1522 C PRO A 103 12.228 -6.921 14.063 1.00 0.00 C +ATOM 1523 O PRO A 103 12.710 -7.870 14.680 1.00 0.00 O +ATOM 1524 CB PRO A 103 9.775 -7.582 14.187 1.00 0.00 C +ATOM 1525 CG PRO A 103 9.106 -7.358 12.841 1.00 0.00 C +ATOM 1526 CD PRO A 103 9.460 -5.956 12.372 1.00 0.00 C +ATOM 1527 HA PRO A 103 10.800 -6.089 15.264 1.00 0.00 H +ATOM 1528 HB2 PRO A 103 10.258 -8.558 14.226 1.00 0.00 H +ATOM 1529 HB3 PRO A 103 9.045 -7.556 14.996 1.00 0.00 H +ATOM 1530 HG2 PRO A 103 9.445 -8.099 12.118 1.00 0.00 H +ATOM 1531 HG3 PRO A 103 8.025 -7.469 12.929 1.00 0.00 H +ATOM 1532 HD2 PRO A 103 9.925 -5.974 11.387 1.00 0.00 H +ATOM 1533 HD3 PRO A 103 8.572 -5.328 12.294 1.00 0.00 H +ATOM 1534 N THR A 104 12.870 -6.225 13.136 1.00 0.00 N +ATOM 1535 CA THR A 104 14.239 -6.548 12.772 1.00 0.00 C +ATOM 1536 C THR A 104 14.720 -5.635 11.642 1.00 0.00 C +ATOM 1537 O THR A 104 15.803 -5.836 11.095 1.00 0.00 O +ATOM 1538 CB THR A 104 14.296 -8.035 12.417 1.00 0.00 C +ATOM 1539 OG1 THR A 104 15.512 -8.172 11.686 1.00 0.00 O +ATOM 1540 CG2 THR A 104 13.212 -8.440 11.416 1.00 0.00 C +ATOM 1541 H THR A 104 12.471 -5.455 12.638 1.00 0.00 H +ATOM 1542 HA THR A 104 14.878 -6.355 13.633 1.00 0.00 H +ATOM 1543 HB THR A 104 14.247 -8.652 13.314 1.00 0.00 H +ATOM 1544 HG1 THR A 104 16.293 -8.027 12.293 1.00 0.00 H +ATOM 1545 HG21 THR A 104 12.253 -8.029 11.732 1.00 0.00 H +ATOM 1546 HG22 THR A 104 13.466 -8.052 10.429 1.00 0.00 H +ATOM 1547 HG23 THR A 104 13.145 -9.527 11.372 1.00 0.00 H +ATOM 1548 N LEU A 105 13.891 -4.650 11.327 1.00 0.00 N +ATOM 1549 CA LEU A 105 14.218 -3.706 10.272 1.00 0.00 C +ATOM 1550 C LEU A 105 13.374 -4.017 9.034 1.00 0.00 C +ATOM 1551 O LEU A 105 13.820 -3.812 7.907 1.00 0.00 O +ATOM 1552 CB LEU A 105 15.725 -3.702 10.004 1.00 0.00 C +ATOM 1553 CG LEU A 105 16.614 -3.285 11.177 1.00 0.00 C +ATOM 1554 CD1 LEU A 105 17.936 -2.698 10.681 1.00 0.00 C +ATOM 1555 CD2 LEU A 105 15.874 -2.325 12.111 1.00 0.00 C +ATOM 1556 H LEU A 105 13.012 -4.494 11.777 1.00 0.00 H +ATOM 1557 HA LEU A 105 13.952 -2.711 10.630 1.00 0.00 H +ATOM 1558 HB2 LEU A 105 16.020 -4.703 9.688 1.00 0.00 H +ATOM 1559 HB3 LEU A 105 15.923 -3.032 9.167 1.00 0.00 H +ATOM 1560 HG LEU A 105 16.855 -4.177 11.757 1.00 0.00 H +ATOM 1561 HD11 LEU A 105 17.738 -1.966 9.898 1.00 0.00 H +ATOM 1562 HD12 LEU A 105 18.451 -2.212 11.510 1.00 0.00 H +ATOM 1563 HD13 LEU A 105 18.562 -3.496 10.283 1.00 0.00 H +ATOM 1564 HD21 LEU A 105 15.576 -1.436 11.556 1.00 0.00 H +ATOM 1565 HD22 LEU A 105 14.988 -2.818 12.512 1.00 0.00 H +ATOM 1566 HD23 LEU A 105 16.532 -2.038 12.932 1.00 0.00 H +ATOM 1567 N VAL A 106 12.170 -4.508 9.287 1.00 0.00 N +ATOM 1568 CA VAL A 106 11.259 -4.850 8.208 1.00 0.00 C +ATOM 1569 C VAL A 106 10.906 -3.584 7.424 1.00 0.00 C +ATOM 1570 O VAL A 106 11.499 -3.309 6.382 1.00 0.00 O +ATOM 1571 CB VAL A 106 10.030 -5.569 8.767 1.00 0.00 C +ATOM 1572 CG1 VAL A 106 8.787 -5.261 7.931 1.00 0.00 C +ATOM 1573 CG2 VAL A 106 10.271 -7.077 8.857 1.00 0.00 C +ATOM 1574 H VAL A 106 11.815 -4.672 10.207 1.00 0.00 H +ATOM 1575 HA VAL A 106 11.780 -5.539 7.544 1.00 0.00 H +ATOM 1576 HB VAL A 106 9.855 -5.197 9.777 1.00 0.00 H +ATOM 1577 HG11 VAL A 106 9.090 -4.916 6.943 1.00 0.00 H +ATOM 1578 HG12 VAL A 106 8.183 -6.163 7.832 1.00 0.00 H +ATOM 1579 HG13 VAL A 106 8.201 -4.484 8.423 1.00 0.00 H +ATOM 1580 HG21 VAL A 106 11.318 -7.291 8.644 1.00 0.00 H +ATOM 1581 HG22 VAL A 106 10.026 -7.425 9.861 1.00 0.00 H +ATOM 1582 HG23 VAL A 106 9.640 -7.589 8.131 1.00 0.00 H +ATOM 1583 N ARG A 107 9.942 -2.847 7.956 1.00 0.00 N +ATOM 1584 CA ARG A 107 9.503 -1.617 7.320 1.00 0.00 C +ATOM 1585 C ARG A 107 10.698 -0.696 7.062 1.00 0.00 C +ATOM 1586 O ARG A 107 10.611 0.230 6.258 1.00 0.00 O +ATOM 1587 CB ARG A 107 8.480 -0.882 8.188 1.00 0.00 C +ATOM 1588 CG ARG A 107 8.545 0.628 7.953 1.00 0.00 C +ATOM 1589 CD ARG A 107 9.623 1.274 8.826 1.00 0.00 C +ATOM 1590 NE ARG A 107 9.005 2.234 9.767 1.00 0.00 N +ATOM 1591 CZ ARG A 107 9.653 3.287 10.308 1.00 0.00 C +ATOM 1592 NH1 ARG A 107 10.947 3.525 10.005 1.00 0.00 N +ATOM 1593 NH2 ARG A 107 9.002 4.081 11.138 1.00 0.00 N +ATOM 1594 H ARG A 107 9.465 -3.078 8.804 1.00 0.00 H +ATOM 1595 HA ARG A 107 9.045 -1.935 6.383 1.00 0.00 H +ATOM 1596 HB2 ARG A 107 7.478 -1.246 7.962 1.00 0.00 H +ATOM 1597 HB3 ARG A 107 8.668 -1.098 9.240 1.00 0.00 H +ATOM 1598 HG2 ARG A 107 8.755 0.828 6.902 1.00 0.00 H +ATOM 1599 HG3 ARG A 107 7.576 1.077 8.174 1.00 0.00 H +ATOM 1600 HD2 ARG A 107 10.162 0.505 9.379 1.00 0.00 H +ATOM 1601 HD3 ARG A 107 10.353 1.785 8.198 1.00 0.00 H +ATOM 1602 HE ARG A 107 8.047 2.094 10.018 1.00 0.00 H +ATOM 1603 HH22 ARG A 107 9.408 4.881 11.580 1.00 0.00 H +ATOM 1604 N GLN A 108 11.787 -0.983 7.761 1.00 0.00 N +ATOM 1605 CA GLN A 108 12.997 -0.193 7.618 1.00 0.00 C +ATOM 1606 C GLN A 108 13.541 -0.307 6.193 1.00 0.00 C +ATOM 1607 O GLN A 108 13.824 0.702 5.550 1.00 0.00 O +ATOM 1608 CB GLN A 108 14.052 -0.616 8.643 1.00 0.00 C +ATOM 1609 CG GLN A 108 14.898 0.580 9.085 1.00 0.00 C +ATOM 1610 CD GLN A 108 15.447 1.340 7.876 1.00 0.00 C +ATOM 1611 OE1 GLN A 108 14.765 2.133 7.247 1.00 0.00 O +ATOM 1612 NE2 GLN A 108 16.713 1.055 7.587 1.00 0.00 N +ATOM 1613 H GLN A 108 11.849 -1.739 8.414 1.00 0.00 H +ATOM 1614 HA GLN A 108 12.697 0.835 7.819 1.00 0.00 H +ATOM 1615 HB2 GLN A 108 13.564 -1.061 9.510 1.00 0.00 H +ATOM 1616 HB3 GLN A 108 14.697 -1.382 8.212 1.00 0.00 H +ATOM 1617 HG2 GLN A 108 14.294 1.250 9.697 1.00 0.00 H +ATOM 1618 HG3 GLN A 108 15.723 0.236 9.708 1.00 0.00 H +ATOM 1619 HE21 GLN A 108 17.216 0.394 8.144 1.00 0.00 H +ATOM 1620 HE22 GLN A 108 17.162 1.502 6.813 1.00 0.00 H +ATOM 1621 N LEU A 109 13.670 -1.546 5.740 1.00 0.00 N +ATOM 1622 CA LEU A 109 14.174 -1.805 4.403 1.00 0.00 C +ATOM 1623 C LEU A 109 13.220 -1.194 3.375 1.00 0.00 C +ATOM 1624 O LEU A 109 13.615 -0.334 2.590 1.00 0.00 O +ATOM 1625 CB LEU A 109 14.417 -3.303 4.203 1.00 0.00 C +ATOM 1626 CG LEU A 109 13.167 -4.167 4.024 1.00 0.00 C +ATOM 1627 CD1 LEU A 109 12.524 -3.925 2.657 1.00 0.00 C +ATOM 1628 CD2 LEU A 109 13.486 -5.645 4.254 1.00 0.00 C +ATOM 1629 H LEU A 109 13.437 -2.362 6.270 1.00 0.00 H +ATOM 1630 HA LEU A 109 15.140 -1.308 4.316 1.00 0.00 H +ATOM 1631 HB2 LEU A 109 15.053 -3.433 3.327 1.00 0.00 H +ATOM 1632 HB3 LEU A 109 14.975 -3.678 5.061 1.00 0.00 H +ATOM 1633 HG LEU A 109 12.438 -3.873 4.780 1.00 0.00 H +ATOM 1634 HD11 LEU A 109 13.008 -3.077 2.173 1.00 0.00 H +ATOM 1635 HD12 LEU A 109 12.642 -4.814 2.038 1.00 0.00 H +ATOM 1636 HD13 LEU A 109 11.463 -3.711 2.788 1.00 0.00 H +ATOM 1637 HD21 LEU A 109 14.528 -5.750 4.557 1.00 0.00 H +ATOM 1638 HD22 LEU A 109 12.839 -6.039 5.039 1.00 0.00 H +ATOM 1639 HD23 LEU A 109 13.318 -6.201 3.332 1.00 0.00 H +ATOM 1640 N ALA A 110 11.981 -1.663 3.413 1.00 0.00 N +ATOM 1641 CA ALA A 110 10.967 -1.174 2.495 1.00 0.00 C +ATOM 1642 C ALA A 110 10.985 0.356 2.490 1.00 0.00 C +ATOM 1643 O ALA A 110 10.803 0.979 1.446 1.00 0.00 O +ATOM 1644 CB ALA A 110 9.602 -1.740 2.892 1.00 0.00 C +ATOM 1645 H ALA A 110 11.668 -2.363 4.055 1.00 0.00 H +ATOM 1646 HA ALA A 110 11.220 -1.535 1.498 1.00 0.00 H +ATOM 1647 HB1 ALA A 110 9.545 -1.821 3.978 1.00 0.00 H +ATOM 1648 HB2 ALA A 110 8.816 -1.075 2.536 1.00 0.00 H +ATOM 1649 HB3 ALA A 110 9.474 -2.726 2.447 1.00 0.00 H +ATOM 1650 N ALA A 111 11.206 0.917 3.670 1.00 0.00 N +ATOM 1651 CA ALA A 111 11.250 2.362 3.815 1.00 0.00 C +ATOM 1652 C ALA A 111 12.513 2.900 3.140 1.00 0.00 C +ATOM 1653 O ALA A 111 12.569 4.069 2.761 1.00 0.00 O +ATOM 1654 CB ALA A 111 11.181 2.729 5.299 1.00 0.00 C +ATOM 1655 H ALA A 111 11.353 0.403 4.515 1.00 0.00 H +ATOM 1656 HA ALA A 111 10.375 2.773 3.311 1.00 0.00 H +ATOM 1657 HB1 ALA A 111 11.966 2.201 5.841 1.00 0.00 H +ATOM 1658 HB2 ALA A 111 11.320 3.803 5.415 1.00 0.00 H +ATOM 1659 HB3 ALA A 111 10.208 2.443 5.699 1.00 0.00 H +ATOM 1660 N GLN A 112 13.496 2.021 3.010 1.00 0.00 N +ATOM 1661 CA GLN A 112 14.755 2.393 2.387 1.00 0.00 C +ATOM 1662 C GLN A 112 14.507 2.967 0.990 1.00 0.00 C +ATOM 1663 O GLN A 112 14.973 4.060 0.673 1.00 0.00 O +ATOM 1664 CB GLN A 112 15.710 1.199 2.327 1.00 0.00 C +ATOM 1665 CG GLN A 112 15.349 0.265 1.170 1.00 0.00 C +ATOM 1666 CD GLN A 112 15.688 -1.187 1.513 1.00 0.00 C +ATOM 1667 OE1 GLN A 112 16.780 -1.510 1.951 1.00 0.00 O +ATOM 1668 NE2 GLN A 112 14.694 -2.042 1.289 1.00 0.00 N +ATOM 1669 H GLN A 112 13.443 1.072 3.321 1.00 0.00 H +ATOM 1670 HA GLN A 112 15.182 3.160 3.032 1.00 0.00 H +ATOM 1671 HB2 GLN A 112 16.734 1.554 2.206 1.00 0.00 H +ATOM 1672 HB3 GLN A 112 15.673 0.651 3.268 1.00 0.00 H +ATOM 1673 HG2 GLN A 112 14.285 0.351 0.948 1.00 0.00 H +ATOM 1674 HG3 GLN A 112 15.888 0.566 0.272 1.00 0.00 H +ATOM 1675 HE21 GLN A 112 13.822 -1.712 0.928 1.00 0.00 H +ATOM 1676 HE22 GLN A 112 14.819 -3.016 1.482 1.00 0.00 H +ATOM 1677 N PHE A 113 13.773 2.204 0.193 1.00 0.00 N +ATOM 1678 CA PHE A 113 13.457 2.624 -1.161 1.00 0.00 C +ATOM 1679 C PHE A 113 12.517 3.831 -1.157 1.00 0.00 C +ATOM 1680 O PHE A 113 12.663 4.739 -1.973 1.00 0.00 O +ATOM 1681 CB PHE A 113 12.754 1.447 -1.841 1.00 0.00 C +ATOM 1682 CG PHE A 113 11.271 1.319 -1.486 1.00 0.00 C +ATOM 1683 CD1 PHE A 113 10.383 2.250 -1.927 1.00 0.00 C +ATOM 1684 CD2 PHE A 113 10.842 0.274 -0.729 1.00 0.00 C +ATOM 1685 CE1 PHE A 113 9.007 2.130 -1.597 1.00 0.00 C +ATOM 1686 CE2 PHE A 113 9.466 0.154 -0.400 1.00 0.00 C +ATOM 1687 CZ PHE A 113 8.577 1.085 -0.840 1.00 0.00 C +ATOM 1688 H PHE A 113 13.397 1.316 0.459 1.00 0.00 H +ATOM 1689 HA PHE A 113 14.396 2.899 -1.642 1.00 0.00 H +ATOM 1690 HB2 PHE A 113 12.850 1.555 -2.922 1.00 0.00 H +ATOM 1691 HB3 PHE A 113 13.264 0.524 -1.566 1.00 0.00 H +ATOM 1692 HD1 PHE A 113 10.728 3.087 -2.533 1.00 0.00 H +ATOM 1693 HD2 PHE A 113 11.553 -0.472 -0.376 1.00 0.00 H +ATOM 1694 HE1 PHE A 113 8.295 2.876 -1.950 1.00 0.00 H +ATOM 1695 HE2 PHE A 113 9.121 -0.683 0.207 1.00 0.00 H +ATOM 1696 HZ PHE A 113 7.521 0.994 -0.587 1.00 0.00 H +ATOM 1697 N MET A 114 11.573 3.802 -0.228 1.00 0.00 N +ATOM 1698 CA MET A 114 10.609 4.882 -0.106 1.00 0.00 C +ATOM 1699 C MET A 114 11.314 6.230 0.055 1.00 0.00 C +ATOM 1700 O MET A 114 11.206 6.871 1.099 1.00 0.00 O +ATOM 1701 CB MET A 114 9.709 4.629 1.105 1.00 0.00 C +ATOM 1702 CG MET A 114 8.367 5.348 0.950 1.00 0.00 C +ATOM 1703 SD MET A 114 8.456 6.972 1.685 1.00 0.00 S +ATOM 1704 CE MET A 114 8.463 6.530 3.414 1.00 0.00 C +ATOM 1705 H MET A 114 11.461 3.059 0.433 1.00 0.00 H +ATOM 1706 HA MET A 114 10.038 4.871 -1.034 1.00 0.00 H +ATOM 1707 HB2 MET A 114 9.541 3.558 1.221 1.00 0.00 H +ATOM 1708 HB3 MET A 114 10.207 4.973 2.011 1.00 0.00 H +ATOM 1709 HG2 MET A 114 8.109 5.430 -0.106 1.00 0.00 H +ATOM 1710 HG3 MET A 114 7.577 4.767 1.426 1.00 0.00 H +ATOM 1711 HE1 MET A 114 8.190 5.480 3.522 1.00 0.00 H +ATOM 1712 HE2 MET A 114 9.460 6.691 3.826 1.00 0.00 H +ATOM 1713 HE3 MET A 114 7.744 7.149 3.951 1.00 0.00 H +ATOM 1714 N ASN A 115 12.021 6.621 -0.996 1.00 0.00 N +ATOM 1715 CA ASN A 115 12.744 7.882 -0.984 1.00 0.00 C +ATOM 1716 C ASN A 115 12.718 8.492 -2.387 1.00 0.00 C +ATOM 1717 O ASN A 115 12.571 7.777 -3.376 1.00 0.00 O +ATOM 1718 CB ASN A 115 14.206 7.674 -0.586 1.00 0.00 C +ATOM 1719 CG ASN A 115 14.993 7.006 -1.715 1.00 0.00 C +ATOM 1720 OD1 ASN A 115 14.505 6.133 -2.414 1.00 0.00 O +ATOM 1721 ND2 ASN A 115 16.234 7.464 -1.854 1.00 0.00 N +ATOM 1722 H ASN A 115 12.104 6.094 -1.841 1.00 0.00 H +ATOM 1723 HA ASN A 115 12.228 8.501 -0.250 1.00 0.00 H +ATOM 1724 HB2 ASN A 115 14.660 8.635 -0.340 1.00 0.00 H +ATOM 1725 HB3 ASN A 115 14.258 7.059 0.312 1.00 0.00 H +ATOM 1726 HD21 ASN A 115 16.572 8.183 -1.247 1.00 0.00 H +ATOM 1727 HD22 ASN A 115 16.828 7.090 -2.566 1.00 0.00 H +ATOM 1728 N GLY A 116 12.863 9.809 -2.427 1.00 0.00 N +ATOM 1729 CA GLY A 116 12.858 10.523 -3.692 1.00 0.00 C +ATOM 1730 C GLY A 116 11.541 10.305 -4.440 1.00 0.00 C +ATOM 1731 O GLY A 116 10.869 9.295 -4.240 1.00 0.00 O +ATOM 1732 H GLY A 116 12.982 10.383 -1.618 1.00 0.00 H +ATOM 1733 HA2 GLY A 116 13.006 11.588 -3.513 1.00 0.00 H +ATOM 1734 HA3 GLY A 116 13.691 10.185 -4.309 1.00 0.00 H +ATOM 1735 N SER A 117 11.212 11.269 -5.287 1.00 0.00 N +ATOM 1736 CA SER A 117 9.988 11.195 -6.066 1.00 0.00 C +ATOM 1737 C SER A 117 10.226 10.381 -7.340 1.00 0.00 C +ATOM 1738 O SER A 117 9.380 10.355 -8.232 1.00 0.00 O +ATOM 1739 CB SER A 117 9.474 12.593 -6.418 1.00 0.00 C +ATOM 1740 OG SER A 117 10.504 13.423 -6.948 1.00 0.00 O +ATOM 1741 H SER A 117 11.764 12.088 -5.445 1.00 0.00 H +ATOM 1742 HA SER A 117 9.265 10.695 -5.422 1.00 0.00 H +ATOM 1743 HB2 SER A 117 8.665 12.509 -7.145 1.00 0.00 H +ATOM 1744 HB3 SER A 117 9.054 13.060 -5.527 1.00 0.00 H +ATOM 1745 HG SER A 117 11.120 12.881 -7.520 1.00 0.00 H +ATOM 1746 N LEU A 118 11.383 9.736 -7.384 1.00 0.00 N +ATOM 1747 CA LEU A 118 11.743 8.923 -8.533 1.00 0.00 C +ATOM 1748 C LEU A 118 13.106 8.274 -8.285 1.00 0.00 C +ATOM 1749 O LEU A 118 14.141 8.845 -8.627 1.00 0.00 O +ATOM 1750 CB LEU A 118 11.681 9.753 -9.817 1.00 0.00 C +ATOM 1751 CG LEU A 118 12.946 10.540 -10.168 1.00 0.00 C +ATOM 1752 CD1 LEU A 118 13.873 9.716 -11.063 1.00 0.00 C +ATOM 1753 CD2 LEU A 118 12.594 11.891 -10.795 1.00 0.00 C +ATOM 1754 H LEU A 118 12.066 9.763 -6.654 1.00 0.00 H +ATOM 1755 HA LEU A 118 10.996 8.135 -8.622 1.00 0.00 H +ATOM 1756 HB2 LEU A 118 11.451 9.086 -10.647 1.00 0.00 H +ATOM 1757 HB3 LEU A 118 10.852 10.455 -9.732 1.00 0.00 H +ATOM 1758 HG LEU A 118 13.488 10.745 -9.245 1.00 0.00 H +ATOM 1759 HD11 LEU A 118 13.609 8.661 -10.987 1.00 0.00 H +ATOM 1760 HD12 LEU A 118 13.765 10.044 -12.097 1.00 0.00 H +ATOM 1761 HD13 LEU A 118 14.906 9.856 -10.744 1.00 0.00 H +ATOM 1762 HD21 LEU A 118 11.758 11.765 -11.483 1.00 0.00 H +ATOM 1763 HD22 LEU A 118 12.316 12.594 -10.010 1.00 0.00 H +ATOM 1764 HD23 LEU A 118 13.458 12.275 -11.338 1.00 0.00 H +ATOM 1765 N SER A 119 13.063 7.089 -7.694 1.00 0.00 N +ATOM 1766 CA SER A 119 14.281 6.356 -7.397 1.00 0.00 C +ATOM 1767 C SER A 119 14.434 5.181 -8.364 1.00 0.00 C +ATOM 1768 O SER A 119 13.447 4.554 -8.747 1.00 0.00 O +ATOM 1769 CB SER A 119 14.285 5.856 -5.951 1.00 0.00 C +ATOM 1770 OG SER A 119 15.600 5.820 -5.402 1.00 0.00 O +ATOM 1771 H SER A 119 12.217 6.632 -7.419 1.00 0.00 H +ATOM 1772 HA SER A 119 15.091 7.073 -7.535 1.00 0.00 H +ATOM 1773 HB2 SER A 119 13.656 6.505 -5.341 1.00 0.00 H +ATOM 1774 HB3 SER A 119 13.848 4.859 -5.910 1.00 0.00 H +ATOM 1775 HG SER A 119 15.588 5.355 -4.516 1.00 0.00 H +ATOM 1776 N GLU A 120 15.679 4.917 -8.733 1.00 0.00 N +ATOM 1777 CA GLU A 120 15.974 3.828 -9.649 1.00 0.00 C +ATOM 1778 C GLU A 120 15.306 4.077 -11.002 1.00 0.00 C +ATOM 1779 O GLU A 120 14.963 3.133 -11.712 1.00 0.00 O +ATOM 1780 CB GLU A 120 15.538 2.484 -9.061 1.00 0.00 C +ATOM 1781 CG GLU A 120 16.491 1.365 -9.486 1.00 0.00 C +ATOM 1782 CD GLU A 120 17.646 1.221 -8.493 1.00 0.00 C +ATOM 1783 OE1 GLU A 120 17.461 1.454 -7.290 1.00 0.00 O +ATOM 1784 OE2 GLU A 120 18.768 0.853 -9.012 1.00 0.00 O +ATOM 1785 H GLU A 120 16.477 5.431 -8.417 1.00 0.00 H +ATOM 1786 HA GLU A 120 17.058 3.832 -9.765 1.00 0.00 H +ATOM 1787 HB2 GLU A 120 15.511 2.550 -7.973 1.00 0.00 H +ATOM 1788 HB3 GLU A 120 14.526 2.250 -9.391 1.00 0.00 H +ATOM 1789 HG2 GLU A 120 15.945 0.424 -9.553 1.00 0.00 H +ATOM 1790 HG3 GLU A 120 16.885 1.576 -10.480 1.00 0.00 H +ATOM 1791 N GLU A 121 15.141 5.353 -11.318 1.00 0.00 N +ATOM 1792 CA GLU A 121 14.519 5.738 -12.574 1.00 0.00 C +ATOM 1793 C GLU A 121 13.181 5.017 -12.747 1.00 0.00 C +ATOM 1794 O GLU A 121 13.040 4.165 -13.623 1.00 0.00 O +ATOM 1795 CB GLU A 121 15.450 5.457 -13.755 1.00 0.00 C +ATOM 1796 CG GLU A 121 16.515 6.548 -13.886 1.00 0.00 C +ATOM 1797 CD GLU A 121 17.694 6.279 -12.948 1.00 0.00 C +ATOM 1798 OE1 GLU A 121 18.335 5.223 -13.047 1.00 0.00 O +ATOM 1799 OE2 GLU A 121 17.936 7.215 -12.094 1.00 0.00 O +ATOM 1800 H GLU A 121 15.422 6.115 -10.735 1.00 0.00 H +ATOM 1801 HA GLU A 121 14.354 6.813 -12.498 1.00 0.00 H +ATOM 1802 HB2 GLU A 121 15.932 4.489 -13.621 1.00 0.00 H +ATOM 1803 HB3 GLU A 121 14.869 5.399 -14.676 1.00 0.00 H +ATOM 1804 HG2 GLU A 121 16.868 6.595 -14.916 1.00 0.00 H +ATOM 1805 HG3 GLU A 121 16.076 7.519 -13.655 1.00 0.00 H +ATOM 1806 N ASP A 122 12.232 5.387 -11.899 1.00 0.00 N +ATOM 1807 CA ASP A 122 10.910 4.786 -11.948 1.00 0.00 C +ATOM 1808 C ASP A 122 10.259 4.885 -10.567 1.00 0.00 C +ATOM 1809 O ASP A 122 10.637 4.163 -9.645 1.00 0.00 O +ATOM 1810 CB ASP A 122 10.991 3.306 -12.327 1.00 0.00 C +ATOM 1811 CG ASP A 122 10.738 3.003 -13.805 1.00 0.00 C +ATOM 1812 OD1 ASP A 122 10.639 3.917 -14.637 1.00 0.00 O +ATOM 1813 OD2 ASP A 122 10.640 1.750 -14.096 1.00 0.00 O +ATOM 1814 H ASP A 122 12.355 6.081 -11.191 1.00 0.00 H +ATOM 1815 HA ASP A 122 10.367 5.350 -12.706 1.00 0.00 H +ATOM 1816 HB2 ASP A 122 11.979 2.931 -12.059 1.00 0.00 H +ATOM 1817 HB3 ASP A 122 10.267 2.753 -11.729 1.00 0.00 H +ATOM 1818 N LYS A 123 9.291 5.785 -10.467 1.00 0.00 N +ATOM 1819 CA LYS A 123 8.584 5.988 -9.214 1.00 0.00 C +ATOM 1820 C LYS A 123 7.583 4.849 -9.008 1.00 0.00 C +ATOM 1821 O LYS A 123 6.386 5.022 -9.231 1.00 0.00 O +ATOM 1822 CB LYS A 123 7.948 7.379 -9.177 1.00 0.00 C +ATOM 1823 CG LYS A 123 8.166 8.045 -7.817 1.00 0.00 C +ATOM 1824 CD LYS A 123 7.635 7.165 -6.684 1.00 0.00 C +ATOM 1825 CE LYS A 123 8.682 6.998 -5.582 1.00 0.00 C +ATOM 1826 NZ LYS A 123 8.027 6.793 -4.270 1.00 0.00 N +ATOM 1827 H LYS A 123 8.990 6.368 -11.222 1.00 0.00 H +ATOM 1828 HA LYS A 123 9.322 5.949 -8.413 1.00 0.00 H +ATOM 1829 HB2 LYS A 123 8.377 8.000 -9.963 1.00 0.00 H +ATOM 1830 HB3 LYS A 123 6.880 7.300 -9.380 1.00 0.00 H +ATOM 1831 HG2 LYS A 123 9.229 8.234 -7.667 1.00 0.00 H +ATOM 1832 HG3 LYS A 123 7.665 9.012 -7.797 1.00 0.00 H +ATOM 1833 HD2 LYS A 123 6.731 7.610 -6.267 1.00 0.00 H +ATOM 1834 HD3 LYS A 123 7.356 6.188 -7.078 1.00 0.00 H +ATOM 1835 HE2 LYS A 123 9.326 6.148 -5.810 1.00 0.00 H +ATOM 1836 HE3 LYS A 123 9.321 7.880 -5.542 1.00 0.00 H +ATOM 1837 HZ1 LYS A 123 7.713 7.666 -3.862 1.00 0.00 H +ATOM 1838 HZ2 LYS A 123 7.213 6.193 -4.342 1.00 0.00 H +ATOM 1839 N ARG A 124 8.111 3.709 -8.585 1.00 0.00 N +ATOM 1840 CA ARG A 124 7.279 2.542 -8.347 1.00 0.00 C +ATOM 1841 C ARG A 124 8.149 1.293 -8.190 1.00 0.00 C +ATOM 1842 O ARG A 124 7.780 0.361 -7.479 1.00 0.00 O +ATOM 1843 CB ARG A 124 6.291 2.326 -9.495 1.00 0.00 C +ATOM 1844 CG ARG A 124 6.985 2.475 -10.851 1.00 0.00 C +ATOM 1845 CD ARG A 124 7.054 1.132 -11.581 1.00 0.00 C +ATOM 1846 NE ARG A 124 6.164 1.153 -12.763 1.00 0.00 N +ATOM 1847 CZ ARG A 124 4.861 0.801 -12.736 1.00 0.00 C +ATOM 1848 NH1 ARG A 124 4.284 0.397 -11.583 1.00 0.00 N +ATOM 1849 NH2 ARG A 124 4.159 0.857 -13.852 1.00 0.00 N +ATOM 1850 H ARG A 124 9.086 3.577 -8.406 1.00 0.00 H +ATOM 1851 HA ARG A 124 6.744 2.766 -7.424 1.00 0.00 H +ATOM 1852 HB2 ARG A 124 5.848 1.334 -9.416 1.00 0.00 H +ATOM 1853 HB3 ARG A 124 5.476 3.046 -9.418 1.00 0.00 H +ATOM 1854 HG2 ARG A 124 6.445 3.198 -11.462 1.00 0.00 H +ATOM 1855 HG3 ARG A 124 7.991 2.867 -10.707 1.00 0.00 H +ATOM 1856 HD2 ARG A 124 8.079 0.930 -11.891 1.00 0.00 H +ATOM 1857 HD3 ARG A 124 6.760 0.327 -10.908 1.00 0.00 H +ATOM 1858 HE ARG A 124 6.552 1.446 -13.637 1.00 0.00 H +ATOM 1859 HH22 ARG A 124 3.191 0.614 -13.917 1.00 0.00 H +ATOM 1860 N ASN A 125 9.288 1.316 -8.866 1.00 0.00 N +ATOM 1861 CA ASN A 125 10.214 0.197 -8.811 1.00 0.00 C +ATOM 1862 C ASN A 125 10.815 0.107 -7.407 1.00 0.00 C +ATOM 1863 O ASN A 125 10.984 -0.986 -6.869 1.00 0.00 O +ATOM 1864 CB ASN A 125 11.361 0.382 -9.806 1.00 0.00 C +ATOM 1865 CG ASN A 125 12.274 -0.846 -9.823 1.00 0.00 C +ATOM 1866 OD1 ASN A 125 12.243 -1.661 -10.730 1.00 0.00 O +ATOM 1867 ND2 ASN A 125 13.087 -0.931 -8.774 1.00 0.00 N +ATOM 1868 H ASN A 125 9.581 2.079 -9.443 1.00 0.00 H +ATOM 1869 HA ASN A 125 9.619 -0.679 -9.067 1.00 0.00 H +ATOM 1870 HB2 ASN A 125 10.958 0.554 -10.804 1.00 0.00 H +ATOM 1871 HB3 ASN A 125 11.940 1.266 -9.539 1.00 0.00 H +ATOM 1872 HD21 ASN A 125 13.062 -0.227 -8.064 1.00 0.00 H +ATOM 1873 HD22 ASN A 125 13.723 -1.698 -8.695 1.00 0.00 H +ATOM 1874 N CYS A 126 11.122 1.272 -6.854 1.00 0.00 N +ATOM 1875 CA CYS A 126 11.701 1.338 -5.523 1.00 0.00 C +ATOM 1876 C CYS A 126 10.844 0.488 -4.583 1.00 0.00 C +ATOM 1877 O CYS A 126 11.351 -0.415 -3.920 1.00 0.00 O +ATOM 1878 CB CYS A 126 11.827 2.782 -5.032 1.00 0.00 C +ATOM 1879 SG CYS A 126 10.303 3.713 -5.430 1.00 0.00 S +ATOM 1880 H CYS A 126 10.982 2.156 -7.298 1.00 0.00 H +ATOM 1881 HA CYS A 126 12.710 0.932 -5.599 1.00 0.00 H +ATOM 1882 HB2 CYS A 126 12.001 2.795 -3.956 1.00 0.00 H +ATOM 1883 HB3 CYS A 126 12.688 3.260 -5.500 1.00 0.00 H +ATOM 1884 HG CYS A 126 10.461 4.645 -4.494 1.00 0.00 H +ATOM 1885 N LEU A 127 9.558 0.808 -4.555 1.00 0.00 N +ATOM 1886 CA LEU A 127 8.625 0.086 -3.708 1.00 0.00 C +ATOM 1887 C LEU A 127 8.774 -1.416 -3.957 1.00 0.00 C +ATOM 1888 O LEU A 127 9.277 -2.145 -3.102 1.00 0.00 O +ATOM 1889 CB LEU A 127 7.201 0.605 -3.914 1.00 0.00 C +ATOM 1890 CG LEU A 127 6.961 1.418 -5.188 1.00 0.00 C +ATOM 1891 CD1 LEU A 127 5.763 0.874 -5.968 1.00 0.00 C +ATOM 1892 CD2 LEU A 127 6.810 2.906 -4.868 1.00 0.00 C +ATOM 1893 H LEU A 127 9.153 1.544 -5.098 1.00 0.00 H +ATOM 1894 HA LEU A 127 8.897 0.293 -2.672 1.00 0.00 H +ATOM 1895 HB2 LEU A 127 6.521 -0.247 -3.917 1.00 0.00 H +ATOM 1896 HB3 LEU A 127 6.933 1.223 -3.057 1.00 0.00 H +ATOM 1897 HG LEU A 127 7.836 1.313 -5.829 1.00 0.00 H +ATOM 1898 HD11 LEU A 127 5.814 -0.214 -6.001 1.00 0.00 H +ATOM 1899 HD12 LEU A 127 4.840 1.179 -5.475 1.00 0.00 H +ATOM 1900 HD13 LEU A 127 5.780 1.270 -6.983 1.00 0.00 H +ATOM 1901 HD21 LEU A 127 6.749 3.042 -3.789 1.00 0.00 H +ATOM 1902 HD22 LEU A 127 7.672 3.450 -5.255 1.00 0.00 H +ATOM 1903 HD23 LEU A 127 5.901 3.287 -5.334 1.00 0.00 H +ATOM 1904 N ALA A 128 8.329 -1.836 -5.132 1.00 0.00 N +ATOM 1905 CA ALA A 128 8.406 -3.238 -5.505 1.00 0.00 C +ATOM 1906 C ALA A 128 9.775 -3.793 -5.105 1.00 0.00 C +ATOM 1907 O ALA A 128 9.905 -4.979 -4.808 1.00 0.00 O +ATOM 1908 CB ALA A 128 8.133 -3.384 -7.004 1.00 0.00 C +ATOM 1909 H ALA A 128 7.922 -1.237 -5.822 1.00 0.00 H +ATOM 1910 HA ALA A 128 7.632 -3.771 -4.954 1.00 0.00 H +ATOM 1911 HB1 ALA A 128 8.395 -2.456 -7.513 1.00 0.00 H +ATOM 1912 HB2 ALA A 128 8.734 -4.200 -7.404 1.00 0.00 H +ATOM 1913 HB3 ALA A 128 7.077 -3.599 -7.161 1.00 0.00 H +ATOM 1914 N LYS A 129 10.761 -2.908 -5.110 1.00 0.00 N +ATOM 1915 CA LYS A 129 12.115 -3.294 -4.752 1.00 0.00 C +ATOM 1916 C LYS A 129 12.140 -3.755 -3.293 1.00 0.00 C +ATOM 1917 O LYS A 129 12.974 -4.575 -2.912 1.00 0.00 O +ATOM 1918 CB LYS A 129 13.094 -2.158 -5.054 1.00 0.00 C +ATOM 1919 CG LYS A 129 14.435 -2.706 -5.546 1.00 0.00 C +ATOM 1920 CD LYS A 129 15.454 -1.580 -5.730 1.00 0.00 C +ATOM 1921 CE LYS A 129 16.839 -2.008 -5.243 1.00 0.00 C +ATOM 1922 NZ LYS A 129 17.519 -2.830 -6.269 1.00 0.00 N +ATOM 1923 H LYS A 129 10.647 -1.944 -5.353 1.00 0.00 H +ATOM 1924 HA LYS A 129 12.393 -4.136 -5.385 1.00 0.00 H +ATOM 1925 HB2 LYS A 129 12.669 -1.497 -5.809 1.00 0.00 H +ATOM 1926 HB3 LYS A 129 13.249 -1.558 -4.157 1.00 0.00 H +ATOM 1927 HG2 LYS A 129 14.818 -3.435 -4.832 1.00 0.00 H +ATOM 1928 HG3 LYS A 129 14.293 -3.231 -6.491 1.00 0.00 H +ATOM 1929 HD2 LYS A 129 15.505 -1.299 -6.783 1.00 0.00 H +ATOM 1930 HD3 LYS A 129 15.128 -0.697 -5.181 1.00 0.00 H +ATOM 1931 HE2 LYS A 129 17.441 -1.127 -5.018 1.00 0.00 H +ATOM 1932 HE3 LYS A 129 16.746 -2.576 -4.317 1.00 0.00 H +ATOM 1933 HZ1 LYS A 129 16.935 -2.977 -7.086 1.00 0.00 H +ATOM 1934 HZ2 LYS A 129 18.377 -2.399 -6.595 1.00 0.00 H +ATOM 1935 N ALA A 130 11.216 -3.208 -2.517 1.00 0.00 N +ATOM 1936 CA ALA A 130 11.121 -3.553 -1.109 1.00 0.00 C +ATOM 1937 C ALA A 130 10.561 -4.970 -0.972 1.00 0.00 C +ATOM 1938 O ALA A 130 11.100 -5.785 -0.225 1.00 0.00 O +ATOM 1939 CB ALA A 130 10.262 -2.514 -0.385 1.00 0.00 C +ATOM 1940 H ALA A 130 10.541 -2.542 -2.835 1.00 0.00 H +ATOM 1941 HA ALA A 130 12.128 -3.527 -0.692 1.00 0.00 H +ATOM 1942 HB1 ALA A 130 9.512 -2.121 -1.072 1.00 0.00 H +ATOM 1943 HB2 ALA A 130 9.766 -2.982 0.465 1.00 0.00 H +ATOM 1944 HB3 ALA A 130 10.895 -1.700 -0.034 1.00 0.00 H +ATOM 1945 N LEU A 131 9.486 -5.221 -1.705 1.00 0.00 N +ATOM 1946 CA LEU A 131 8.847 -6.526 -1.674 1.00 0.00 C +ATOM 1947 C LEU A 131 9.922 -7.614 -1.654 1.00 0.00 C +ATOM 1948 O LEU A 131 9.848 -8.550 -0.858 1.00 0.00 O +ATOM 1949 CB LEU A 131 7.854 -6.663 -2.830 1.00 0.00 C +ATOM 1950 CG LEU A 131 8.031 -7.892 -3.724 1.00 0.00 C +ATOM 1951 CD1 LEU A 131 8.025 -9.178 -2.895 1.00 0.00 C +ATOM 1952 CD2 LEU A 131 6.978 -7.920 -4.833 1.00 0.00 C +ATOM 1953 H LEU A 131 9.054 -4.553 -2.310 1.00 0.00 H +ATOM 1954 HA LEU A 131 8.275 -6.588 -0.749 1.00 0.00 H +ATOM 1955 HB2 LEU A 131 6.846 -6.681 -2.417 1.00 0.00 H +ATOM 1956 HB3 LEU A 131 7.928 -5.772 -3.454 1.00 0.00 H +ATOM 1957 HG LEU A 131 9.006 -7.826 -4.207 1.00 0.00 H +ATOM 1958 HD11 LEU A 131 7.890 -8.931 -1.842 1.00 0.00 H +ATOM 1959 HD12 LEU A 131 7.208 -9.820 -3.225 1.00 0.00 H +ATOM 1960 HD13 LEU A 131 8.973 -9.700 -3.027 1.00 0.00 H +ATOM 1961 HD21 LEU A 131 6.659 -6.902 -5.057 1.00 0.00 H +ATOM 1962 HD22 LEU A 131 7.404 -8.373 -5.728 1.00 0.00 H +ATOM 1963 HD23 LEU A 131 6.119 -8.506 -4.504 1.00 0.00 H +ATOM 1964 N ASP A 132 10.896 -7.457 -2.538 1.00 0.00 N +ATOM 1965 CA ASP A 132 11.984 -8.415 -2.632 1.00 0.00 C +ATOM 1966 C ASP A 132 12.854 -8.316 -1.377 1.00 0.00 C +ATOM 1967 O ASP A 132 13.313 -9.330 -0.854 1.00 0.00 O +ATOM 1968 CB ASP A 132 12.870 -8.125 -3.845 1.00 0.00 C +ATOM 1969 CG ASP A 132 14.299 -8.663 -3.745 1.00 0.00 C +ATOM 1970 OD1 ASP A 132 15.174 -8.039 -3.126 1.00 0.00 O +ATOM 1971 OD2 ASP A 132 14.502 -9.787 -4.345 1.00 0.00 O +ATOM 1972 H ASP A 132 10.949 -6.693 -3.182 1.00 0.00 H +ATOM 1973 HA ASP A 132 11.502 -9.387 -2.729 1.00 0.00 H +ATOM 1974 HB2 ASP A 132 12.399 -8.552 -4.730 1.00 0.00 H +ATOM 1975 HB3 ASP A 132 12.913 -7.047 -3.996 1.00 0.00 H +ATOM 1976 N GLU A 133 13.054 -7.085 -0.930 1.00 0.00 N +ATOM 1977 CA GLU A 133 13.861 -6.840 0.254 1.00 0.00 C +ATOM 1978 C GLU A 133 13.155 -7.382 1.498 1.00 0.00 C +ATOM 1979 O GLU A 133 13.679 -8.261 2.180 1.00 0.00 O +ATOM 1980 CB GLU A 133 14.174 -5.350 0.405 1.00 0.00 C +ATOM 1981 CG GLU A 133 15.309 -4.930 -0.531 1.00 0.00 C +ATOM 1982 CD GLU A 133 15.188 -3.453 -0.911 1.00 0.00 C +ATOM 1983 OE1 GLU A 133 14.184 -3.048 -1.515 1.00 0.00 O +ATOM 1984 OE2 GLU A 133 16.184 -2.715 -0.554 1.00 0.00 O +ATOM 1985 H GLU A 133 12.677 -6.265 -1.361 1.00 0.00 H +ATOM 1986 HA GLU A 133 14.790 -7.385 0.088 1.00 0.00 H +ATOM 1987 HB2 GLU A 133 13.282 -4.763 0.187 1.00 0.00 H +ATOM 1988 HB3 GLU A 133 14.451 -5.137 1.438 1.00 0.00 H +ATOM 1989 HG2 GLU A 133 16.269 -5.107 -0.047 1.00 0.00 H +ATOM 1990 HG3 GLU A 133 15.288 -5.544 -1.432 1.00 0.00 H +ATOM 1991 N VAL A 134 11.977 -6.834 1.757 1.00 0.00 N +ATOM 1992 CA VAL A 134 11.194 -7.251 2.907 1.00 0.00 C +ATOM 1993 C VAL A 134 11.228 -8.777 3.016 1.00 0.00 C +ATOM 1994 O VAL A 134 11.372 -9.321 4.110 1.00 0.00 O +ATOM 1995 CB VAL A 134 9.773 -6.691 2.804 1.00 0.00 C +ATOM 1996 CG1 VAL A 134 9.434 -6.319 1.360 1.00 0.00 C +ATOM 1997 CG2 VAL A 134 8.752 -7.680 3.370 1.00 0.00 C +ATOM 1998 H VAL A 134 11.557 -6.119 1.197 1.00 0.00 H +ATOM 1999 HA VAL A 134 11.661 -6.825 3.795 1.00 0.00 H +ATOM 2000 HB VAL A 134 9.727 -5.782 3.404 1.00 0.00 H +ATOM 2001 HG11 VAL A 134 9.922 -7.018 0.680 1.00 0.00 H +ATOM 2002 HG12 VAL A 134 8.355 -6.366 1.216 1.00 0.00 H +ATOM 2003 HG13 VAL A 134 9.784 -5.308 1.153 1.00 0.00 H +ATOM 2004 HG21 VAL A 134 9.263 -8.411 3.997 1.00 0.00 H +ATOM 2005 HG22 VAL A 134 8.016 -7.141 3.967 1.00 0.00 H +ATOM 2006 HG23 VAL A 134 8.249 -8.193 2.550 1.00 0.00 H +ATOM 2007 N LYS A 135 11.095 -9.424 1.868 1.00 0.00 N +ATOM 2008 CA LYS A 135 11.109 -10.876 1.820 1.00 0.00 C +ATOM 2009 C LYS A 135 12.535 -11.375 2.064 1.00 0.00 C +ATOM 2010 O LYS A 135 12.733 -12.419 2.683 1.00 0.00 O +ATOM 2011 CB LYS A 135 10.498 -11.375 0.510 1.00 0.00 C +ATOM 2012 CG LYS A 135 11.036 -12.761 0.147 1.00 0.00 C +ATOM 2013 CD LYS A 135 10.793 -13.073 -1.331 1.00 0.00 C +ATOM 2014 CE LYS A 135 11.207 -11.895 -2.216 1.00 0.00 C +ATOM 2015 NZ LYS A 135 11.547 -12.364 -3.578 1.00 0.00 N +ATOM 2016 H LYS A 135 10.978 -8.973 0.982 1.00 0.00 H +ATOM 2017 HA LYS A 135 10.474 -11.235 2.630 1.00 0.00 H +ATOM 2018 HB2 LYS A 135 9.412 -11.416 0.602 1.00 0.00 H +ATOM 2019 HB3 LYS A 135 10.723 -10.672 -0.292 1.00 0.00 H +ATOM 2020 HG2 LYS A 135 12.104 -12.807 0.361 1.00 0.00 H +ATOM 2021 HG3 LYS A 135 10.553 -13.516 0.766 1.00 0.00 H +ATOM 2022 HD2 LYS A 135 11.356 -13.962 -1.616 1.00 0.00 H +ATOM 2023 HD3 LYS A 135 9.739 -13.299 -1.491 1.00 0.00 H +ATOM 2024 HE2 LYS A 135 10.396 -11.168 -2.267 1.00 0.00 H +ATOM 2025 HE3 LYS A 135 12.064 -11.386 -1.776 1.00 0.00 H +ATOM 2026 HZ1 LYS A 135 10.768 -12.837 -4.023 1.00 0.00 H +ATOM 2027 HZ2 LYS A 135 11.813 -11.599 -4.188 1.00 0.00 H +ATOM 2028 N THR A 136 13.491 -10.607 1.563 1.00 0.00 N +ATOM 2029 CA THR A 136 14.892 -10.958 1.718 1.00 0.00 C +ATOM 2030 C THR A 136 15.243 -11.110 3.200 1.00 0.00 C +ATOM 2031 O THR A 136 16.168 -11.839 3.551 1.00 0.00 O +ATOM 2032 CB THR A 136 15.728 -9.897 1.001 1.00 0.00 C +ATOM 2033 OG1 THR A 136 16.883 -10.605 0.559 1.00 0.00 O +ATOM 2034 CG2 THR A 136 16.283 -8.842 1.961 1.00 0.00 C +ATOM 2035 H THR A 136 13.321 -9.759 1.060 1.00 0.00 H +ATOM 2036 HA THR A 136 15.056 -11.929 1.250 1.00 0.00 H +ATOM 2037 HB THR A 136 15.159 -9.431 0.197 1.00 0.00 H +ATOM 2038 HG1 THR A 136 17.371 -10.987 1.343 1.00 0.00 H +ATOM 2039 HG21 THR A 136 15.652 -8.790 2.848 1.00 0.00 H +ATOM 2040 HG22 THR A 136 17.298 -9.113 2.251 1.00 0.00 H +ATOM 2041 HG23 THR A 136 16.293 -7.870 1.466 1.00 0.00 H +ATOM 2042 N ALA A 137 14.484 -10.408 4.029 1.00 0.00 N +ATOM 2043 CA ALA A 137 14.703 -10.455 5.465 1.00 0.00 C +ATOM 2044 C ALA A 137 13.650 -11.359 6.108 1.00 0.00 C +ATOM 2045 O ALA A 137 13.984 -12.252 6.886 1.00 0.00 O +ATOM 2046 CB ALA A 137 14.678 -9.034 6.032 1.00 0.00 C +ATOM 2047 H ALA A 137 13.733 -9.817 3.736 1.00 0.00 H +ATOM 2048 HA ALA A 137 15.691 -10.883 5.636 1.00 0.00 H +ATOM 2049 HB1 ALA A 137 13.915 -8.451 5.517 1.00 0.00 H +ATOM 2050 HB2 ALA A 137 14.448 -9.072 7.097 1.00 0.00 H +ATOM 2051 HB3 ALA A 137 15.652 -8.567 5.888 1.00 0.00 H +ATOM 2052 N PHE A 138 12.399 -11.096 5.760 1.00 0.00 N +ATOM 2053 CA PHE A 138 11.294 -11.874 6.294 1.00 0.00 C +ATOM 2054 C PHE A 138 10.548 -12.605 5.176 1.00 0.00 C +ATOM 2055 O PHE A 138 9.366 -12.354 4.946 1.00 0.00 O +ATOM 2056 CB PHE A 138 10.338 -10.889 6.970 1.00 0.00 C +ATOM 2057 CG PHE A 138 10.608 -9.424 6.624 1.00 0.00 C +ATOM 2058 CD1 PHE A 138 11.846 -8.895 6.820 1.00 0.00 C +ATOM 2059 CD2 PHE A 138 9.610 -8.649 6.121 1.00 0.00 C +ATOM 2060 CE1 PHE A 138 12.096 -7.535 6.499 1.00 0.00 C +ATOM 2061 CE2 PHE A 138 9.860 -7.288 5.800 1.00 0.00 C +ATOM 2062 CZ PHE A 138 11.098 -6.760 5.996 1.00 0.00 C +ATOM 2063 H PHE A 138 12.136 -10.368 5.127 1.00 0.00 H +ATOM 2064 HA PHE A 138 11.716 -12.605 6.984 1.00 0.00 H +ATOM 2065 HB2 PHE A 138 9.316 -11.137 6.684 1.00 0.00 H +ATOM 2066 HB3 PHE A 138 10.407 -11.016 8.050 1.00 0.00 H +ATOM 2067 HD1 PHE A 138 12.646 -9.517 7.223 1.00 0.00 H +ATOM 2068 HD2 PHE A 138 8.618 -9.072 5.964 1.00 0.00 H +ATOM 2069 HE1 PHE A 138 13.089 -7.112 6.656 1.00 0.00 H +ATOM 2070 HE2 PHE A 138 9.061 -6.667 5.397 1.00 0.00 H +ATOM 2071 HZ PHE A 138 11.291 -5.716 5.750 1.00 0.00 H +ATOM 2072 N PRO A 139 11.288 -13.519 4.492 1.00 0.00 N +ATOM 2073 CA PRO A 139 10.708 -14.288 3.404 1.00 0.00 C +ATOM 2074 C PRO A 139 9.784 -15.384 3.938 1.00 0.00 C +ATOM 2075 O PRO A 139 9.926 -15.819 5.080 1.00 0.00 O +ATOM 2076 CB PRO A 139 11.898 -14.837 2.633 1.00 0.00 C +ATOM 2077 CG PRO A 139 13.085 -14.745 3.579 1.00 0.00 C +ATOM 2078 CD PRO A 139 12.690 -13.843 4.737 1.00 0.00 C +ATOM 2079 HA PRO A 139 10.135 -13.702 2.832 1.00 0.00 H +ATOM 2080 HB2 PRO A 139 11.722 -15.868 2.326 1.00 0.00 H +ATOM 2081 HB3 PRO A 139 12.076 -14.260 1.726 1.00 0.00 H +ATOM 2082 HG2 PRO A 139 13.361 -15.734 3.942 1.00 0.00 H +ATOM 2083 HG3 PRO A 139 13.955 -14.341 3.060 1.00 0.00 H +ATOM 2084 HD2 PRO A 139 12.818 -14.349 5.694 1.00 0.00 H +ATOM 2085 HD3 PRO A 139 13.305 -12.944 4.766 1.00 0.00 H +ATOM 2086 N ARG A 140 8.858 -15.800 3.086 1.00 0.00 N +ATOM 2087 CA ARG A 140 7.911 -16.837 3.459 1.00 0.00 C +ATOM 2088 C ARG A 140 6.633 -16.712 2.628 1.00 0.00 C +ATOM 2089 O ARG A 140 6.589 -15.953 1.661 1.00 0.00 O +ATOM 2090 CB ARG A 140 7.557 -16.752 4.944 1.00 0.00 C +ATOM 2091 CG ARG A 140 8.362 -17.765 5.760 1.00 0.00 C +ATOM 2092 CD ARG A 140 8.546 -17.287 7.202 1.00 0.00 C +ATOM 2093 NE ARG A 140 9.087 -18.384 8.034 1.00 0.00 N +ATOM 2094 CZ ARG A 140 9.606 -18.213 9.268 1.00 0.00 C +ATOM 2095 NH1 ARG A 140 9.659 -16.984 9.825 1.00 0.00 N +ATOM 2096 NH2 ARG A 140 10.061 -19.265 9.923 1.00 0.00 N +ATOM 2097 H ARG A 140 8.750 -15.441 2.159 1.00 0.00 H +ATOM 2098 HA ARG A 140 8.427 -17.774 3.246 1.00 0.00 H +ATOM 2099 HB2 ARG A 140 7.754 -15.745 5.312 1.00 0.00 H +ATOM 2100 HB3 ARG A 140 6.491 -16.937 5.079 1.00 0.00 H +ATOM 2101 HG2 ARG A 140 7.853 -18.729 5.755 1.00 0.00 H +ATOM 2102 HG3 ARG A 140 9.337 -17.917 5.297 1.00 0.00 H +ATOM 2103 HD2 ARG A 140 9.223 -16.433 7.227 1.00 0.00 H +ATOM 2104 HD3 ARG A 140 7.591 -16.949 7.606 1.00 0.00 H +ATOM 2105 HE ARG A 140 9.067 -19.311 7.659 1.00 0.00 H +ATOM 2106 HH22 ARG A 140 10.460 -19.224 10.839 1.00 0.00 H +ATOM 2107 N ASP A 141 5.624 -17.467 3.035 1.00 0.00 N +ATOM 2108 CA ASP A 141 4.348 -17.450 2.341 1.00 0.00 C +ATOM 2109 C ASP A 141 3.455 -16.366 2.949 1.00 0.00 C +ATOM 2110 O ASP A 141 3.648 -15.180 2.687 1.00 0.00 O +ATOM 2111 CB ASP A 141 3.625 -18.791 2.482 1.00 0.00 C +ATOM 2112 CG ASP A 141 4.209 -19.931 1.646 1.00 0.00 C +ATOM 2113 OD1 ASP A 141 4.317 -19.683 0.384 1.00 0.00 O +ATOM 2114 OD2 ASP A 141 4.544 -21.003 2.172 1.00 0.00 O +ATOM 2115 H ASP A 141 5.668 -18.082 3.823 1.00 0.00 H +ATOM 2116 HA ASP A 141 4.592 -17.252 1.297 1.00 0.00 H +ATOM 2117 HB2 ASP A 141 3.640 -19.086 3.531 1.00 0.00 H +ATOM 2118 HB3 ASP A 141 2.580 -18.655 2.204 1.00 0.00 H +ATOM 2119 N MET A 142 2.499 -16.812 3.749 1.00 0.00 N +ATOM 2120 CA MET A 142 1.576 -15.895 4.397 1.00 0.00 C +ATOM 2121 C MET A 142 2.320 -14.935 5.328 1.00 0.00 C +ATOM 2122 O MET A 142 1.917 -13.785 5.491 1.00 0.00 O +ATOM 2123 CB MET A 142 0.546 -16.690 5.201 1.00 0.00 C +ATOM 2124 CG MET A 142 1.110 -17.099 6.563 1.00 0.00 C +ATOM 2125 SD MET A 142 -0.044 -18.171 7.404 1.00 0.00 S +ATOM 2126 CE MET A 142 0.817 -18.398 8.951 1.00 0.00 C +ATOM 2127 H MET A 142 2.349 -17.779 3.957 1.00 0.00 H +ATOM 2128 HA MET A 142 1.104 -15.336 3.589 1.00 0.00 H +ATOM 2129 HB2 MET A 142 -0.353 -16.090 5.341 1.00 0.00 H +ATOM 2130 HB3 MET A 142 0.251 -17.579 4.643 1.00 0.00 H +ATOM 2131 HG2 MET A 142 2.064 -17.610 6.432 1.00 0.00 H +ATOM 2132 HG3 MET A 142 1.303 -16.213 7.167 1.00 0.00 H +ATOM 2133 HE1 MET A 142 1.866 -18.128 8.827 1.00 0.00 H +ATOM 2134 HE2 MET A 142 0.366 -17.764 9.715 1.00 0.00 H +ATOM 2135 HE3 MET A 142 0.745 -19.442 9.257 1.00 0.00 H +ATOM 2136 N GLU A 143 3.394 -15.444 5.914 1.00 0.00 N +ATOM 2137 CA GLU A 143 4.198 -14.647 6.825 1.00 0.00 C +ATOM 2138 C GLU A 143 4.916 -13.532 6.061 1.00 0.00 C +ATOM 2139 O GLU A 143 4.684 -12.351 6.315 1.00 0.00 O +ATOM 2140 CB GLU A 143 5.197 -15.522 7.585 1.00 0.00 C +ATOM 2141 CG GLU A 143 5.112 -15.268 9.091 1.00 0.00 C +ATOM 2142 CD GLU A 143 6.481 -14.890 9.661 1.00 0.00 C +ATOM 2143 OE1 GLU A 143 7.478 -15.575 9.386 1.00 0.00 O +ATOM 2144 OE2 GLU A 143 6.487 -13.843 10.414 1.00 0.00 O +ATOM 2145 H GLU A 143 3.716 -16.381 5.776 1.00 0.00 H +ATOM 2146 HA GLU A 143 3.491 -14.214 7.533 1.00 0.00 H +ATOM 2147 HB2 GLU A 143 4.996 -16.573 7.378 1.00 0.00 H +ATOM 2148 HB3 GLU A 143 6.208 -15.315 7.234 1.00 0.00 H +ATOM 2149 HG2 GLU A 143 4.398 -14.469 9.290 1.00 0.00 H +ATOM 2150 HG3 GLU A 143 4.739 -16.161 9.594 1.00 0.00 H +ATOM 2151 N ASN A 144 5.774 -13.947 5.141 1.00 0.00 N +ATOM 2152 CA ASN A 144 6.528 -12.998 4.339 1.00 0.00 C +ATOM 2153 C ASN A 144 5.572 -12.252 3.406 1.00 0.00 C +ATOM 2154 O ASN A 144 5.472 -11.028 3.464 1.00 0.00 O +ATOM 2155 CB ASN A 144 7.569 -13.713 3.475 1.00 0.00 C +ATOM 2156 CG ASN A 144 8.017 -12.827 2.311 1.00 0.00 C +ATOM 2157 OD1 ASN A 144 8.370 -11.671 2.476 1.00 0.00 O +ATOM 2158 ND2 ASN A 144 7.982 -13.431 1.126 1.00 0.00 N +ATOM 2159 H ASN A 144 5.958 -14.909 4.940 1.00 0.00 H +ATOM 2160 HA ASN A 144 7.011 -12.336 5.057 1.00 0.00 H +ATOM 2161 HB2 ASN A 144 8.432 -13.980 4.085 1.00 0.00 H +ATOM 2162 HB3 ASN A 144 7.151 -14.642 3.089 1.00 0.00 H +ATOM 2163 HD21 ASN A 144 7.681 -14.382 1.059 1.00 0.00 H +ATOM 2164 HD22 ASN A 144 8.256 -12.934 0.303 1.00 0.00 H +ATOM 2165 N ASP A 145 4.892 -13.022 2.569 1.00 0.00 N +ATOM 2166 CA ASP A 145 3.947 -12.449 1.625 1.00 0.00 C +ATOM 2167 C ASP A 145 3.173 -11.319 2.308 1.00 0.00 C +ATOM 2168 O ASP A 145 3.116 -10.203 1.794 1.00 0.00 O +ATOM 2169 CB ASP A 145 2.936 -13.497 1.154 1.00 0.00 C +ATOM 2170 CG ASP A 145 2.023 -13.046 0.012 1.00 0.00 C +ATOM 2171 OD1 ASP A 145 1.245 -12.091 0.155 1.00 0.00 O +ATOM 2172 OD2 ASP A 145 2.134 -13.729 -1.077 1.00 0.00 O +ATOM 2173 H ASP A 145 4.979 -14.018 2.529 1.00 0.00 H +ATOM 2174 HA ASP A 145 4.553 -12.095 0.792 1.00 0.00 H +ATOM 2175 HB2 ASP A 145 3.480 -14.386 0.835 1.00 0.00 H +ATOM 2176 HB3 ASP A 145 2.316 -13.789 2.001 1.00 0.00 H +ATOM 2177 N LYS A 146 2.596 -11.649 3.454 1.00 0.00 N +ATOM 2178 CA LYS A 146 1.828 -10.675 4.212 1.00 0.00 C +ATOM 2179 C LYS A 146 2.767 -9.586 4.734 1.00 0.00 C +ATOM 2180 O LYS A 146 2.356 -8.440 4.911 1.00 0.00 O +ATOM 2181 CB LYS A 146 1.020 -11.369 5.310 1.00 0.00 C +ATOM 2182 CG LYS A 146 -0.019 -10.418 5.910 1.00 0.00 C +ATOM 2183 CD LYS A 146 -0.379 -10.831 7.338 1.00 0.00 C +ATOM 2184 CE LYS A 146 -0.995 -12.231 7.366 1.00 0.00 C +ATOM 2185 NZ LYS A 146 -2.132 -12.279 8.311 1.00 0.00 N +ATOM 2186 H LYS A 146 2.647 -12.559 3.865 1.00 0.00 H +ATOM 2187 HA LYS A 146 1.115 -10.217 3.527 1.00 0.00 H +ATOM 2188 HB2 LYS A 146 0.521 -12.247 4.901 1.00 0.00 H +ATOM 2189 HB3 LYS A 146 1.691 -11.721 6.094 1.00 0.00 H +ATOM 2190 HG2 LYS A 146 0.371 -9.401 5.909 1.00 0.00 H +ATOM 2191 HG3 LYS A 146 -0.915 -10.417 5.291 1.00 0.00 H +ATOM 2192 HD2 LYS A 146 0.513 -10.810 7.963 1.00 0.00 H +ATOM 2193 HD3 LYS A 146 -1.082 -10.113 7.762 1.00 0.00 H +ATOM 2194 HE2 LYS A 146 -1.333 -12.506 6.367 1.00 0.00 H +ATOM 2195 HE3 LYS A 146 -0.240 -12.961 7.659 1.00 0.00 H +ATOM 2196 HZ1 LYS A 146 -2.067 -13.069 8.944 1.00 0.00 H +ATOM 2197 HZ2 LYS A 146 -2.184 -11.446 8.887 1.00 0.00 H +ATOM 2198 N ALA A 147 4.010 -9.982 4.966 1.00 0.00 N +ATOM 2199 CA ALA A 147 5.010 -9.054 5.464 1.00 0.00 C +ATOM 2200 C ALA A 147 5.238 -7.952 4.428 1.00 0.00 C +ATOM 2201 O ALA A 147 5.036 -6.773 4.715 1.00 0.00 O +ATOM 2202 CB ALA A 147 6.295 -9.816 5.796 1.00 0.00 C +ATOM 2203 H ALA A 147 4.336 -10.916 4.820 1.00 0.00 H +ATOM 2204 HA ALA A 147 4.622 -8.606 6.379 1.00 0.00 H +ATOM 2205 HB1 ALA A 147 6.066 -10.874 5.924 1.00 0.00 H +ATOM 2206 HB2 ALA A 147 7.010 -9.694 4.983 1.00 0.00 H +ATOM 2207 HB3 ALA A 147 6.722 -9.423 6.719 1.00 0.00 H +ATOM 2208 N MET A 148 5.656 -8.374 3.244 1.00 0.00 N +ATOM 2209 CA MET A 148 5.914 -7.438 2.163 1.00 0.00 C +ATOM 2210 C MET A 148 4.726 -6.495 1.960 1.00 0.00 C +ATOM 2211 O MET A 148 4.908 -5.289 1.799 1.00 0.00 O +ATOM 2212 CB MET A 148 6.179 -8.211 0.870 1.00 0.00 C +ATOM 2213 CG MET A 148 4.906 -8.327 0.029 1.00 0.00 C +ATOM 2214 SD MET A 148 5.327 -8.599 -1.684 1.00 0.00 S +ATOM 2215 CE MET A 148 5.084 -10.364 -1.786 1.00 0.00 C +ATOM 2216 H MET A 148 5.819 -9.335 3.018 1.00 0.00 H +ATOM 2217 HA MET A 148 6.791 -6.868 2.472 1.00 0.00 H +ATOM 2218 HB2 MET A 148 6.955 -7.707 0.293 1.00 0.00 H +ATOM 2219 HB3 MET A 148 6.554 -9.207 1.107 1.00 0.00 H +ATOM 2220 HG2 MET A 148 4.291 -9.149 0.396 1.00 0.00 H +ATOM 2221 HG3 MET A 148 4.312 -7.417 0.126 1.00 0.00 H +ATOM 2222 HE1 MET A 148 5.569 -10.847 -0.938 1.00 0.00 H +ATOM 2223 HE2 MET A 148 4.017 -10.585 -1.769 1.00 0.00 H +ATOM 2224 HE3 MET A 148 5.517 -10.737 -2.714 1.00 0.00 H +ATOM 2225 N LEU A 149 3.538 -7.080 1.975 1.00 0.00 N +ATOM 2226 CA LEU A 149 2.321 -6.307 1.794 1.00 0.00 C +ATOM 2227 C LEU A 149 2.303 -5.151 2.797 1.00 0.00 C +ATOM 2228 O LEU A 149 1.960 -4.024 2.443 1.00 0.00 O +ATOM 2229 CB LEU A 149 1.092 -7.214 1.880 1.00 0.00 C +ATOM 2230 CG LEU A 149 0.339 -7.448 0.569 1.00 0.00 C +ATOM 2231 CD1 LEU A 149 0.050 -6.124 -0.142 1.00 0.00 C +ATOM 2232 CD2 LEU A 149 1.094 -8.428 -0.331 1.00 0.00 C +ATOM 2233 H LEU A 149 3.399 -8.061 2.107 1.00 0.00 H +ATOM 2234 HA LEU A 149 2.345 -5.890 0.787 1.00 0.00 H +ATOM 2235 HB2 LEU A 149 1.406 -8.181 2.273 1.00 0.00 H +ATOM 2236 HB3 LEU A 149 0.398 -6.786 2.603 1.00 0.00 H +ATOM 2237 HG LEU A 149 -0.624 -7.903 0.804 1.00 0.00 H +ATOM 2238 HD11 LEU A 149 -0.007 -5.322 0.594 1.00 0.00 H +ATOM 2239 HD12 LEU A 149 0.850 -5.910 -0.850 1.00 0.00 H +ATOM 2240 HD13 LEU A 149 -0.898 -6.197 -0.675 1.00 0.00 H +ATOM 2241 HD21 LEU A 149 1.888 -8.909 0.242 1.00 0.00 H +ATOM 2242 HD22 LEU A 149 0.404 -9.186 -0.702 1.00 0.00 H +ATOM 2243 HD23 LEU A 149 1.529 -7.889 -1.172 1.00 0.00 H +ATOM 2244 N ILE A 150 2.675 -5.471 4.027 1.00 0.00 N +ATOM 2245 CA ILE A 150 2.706 -4.473 5.083 1.00 0.00 C +ATOM 2246 C ILE A 150 3.549 -3.281 4.628 1.00 0.00 C +ATOM 2247 O ILE A 150 3.286 -2.145 5.019 1.00 0.00 O +ATOM 2248 CB ILE A 150 3.183 -5.098 6.396 1.00 0.00 C +ATOM 2249 CG1 ILE A 150 4.709 -5.053 6.502 1.00 0.00 C +ATOM 2250 CG2 ILE A 150 2.638 -6.518 6.558 1.00 0.00 C +ATOM 2251 CD1 ILE A 150 5.159 -3.975 7.490 1.00 0.00 C +ATOM 2252 H ILE A 150 2.952 -6.391 4.306 1.00 0.00 H +ATOM 2253 HA ILE A 150 1.683 -4.133 5.241 1.00 0.00 H +ATOM 2254 HB ILE A 150 2.786 -4.505 7.220 1.00 0.00 H +ATOM 2255 HG12 ILE A 150 5.082 -6.025 6.824 1.00 0.00 H +ATOM 2256 HG13 ILE A 150 5.139 -4.855 5.521 1.00 0.00 H +ATOM 2257 HG21 ILE A 150 1.752 -6.640 5.935 1.00 0.00 H +ATOM 2258 HG22 ILE A 150 3.399 -7.236 6.252 1.00 0.00 H +ATOM 2259 HG23 ILE A 150 2.375 -6.690 7.602 1.00 0.00 H +ATOM 2260 HD11 ILE A 150 4.301 -3.632 8.069 1.00 0.00 H +ATOM 2261 HD12 ILE A 150 5.910 -4.389 8.163 1.00 0.00 H +ATOM 2262 HD13 ILE A 150 5.586 -3.136 6.942 1.00 0.00 H +ATOM 2263 N MET A 151 4.545 -3.580 3.807 1.00 0.00 N +ATOM 2264 CA MET A 151 5.428 -2.546 3.293 1.00 0.00 C +ATOM 2265 C MET A 151 4.661 -1.556 2.415 1.00 0.00 C +ATOM 2266 O MET A 151 4.698 -0.350 2.653 1.00 0.00 O +ATOM 2267 CB MET A 151 6.549 -3.192 2.477 1.00 0.00 C +ATOM 2268 CG MET A 151 7.191 -4.349 3.245 1.00 0.00 C +ATOM 2269 SD MET A 151 7.652 -3.812 4.884 1.00 0.00 S +ATOM 2270 CE MET A 151 9.427 -3.960 4.771 1.00 0.00 C +ATOM 2271 H MET A 151 4.752 -4.507 3.493 1.00 0.00 H +ATOM 2272 HA MET A 151 5.821 -2.034 4.172 1.00 0.00 H +ATOM 2273 HB2 MET A 151 6.151 -3.556 1.530 1.00 0.00 H +ATOM 2274 HB3 MET A 151 7.307 -2.445 2.238 1.00 0.00 H +ATOM 2275 HG2 MET A 151 6.494 -5.184 3.310 1.00 0.00 H +ATOM 2276 HG3 MET A 151 8.070 -4.708 2.711 1.00 0.00 H +ATOM 2277 HE1 MET A 151 9.726 -3.955 3.723 1.00 0.00 H +ATOM 2278 HE2 MET A 151 9.895 -3.122 5.287 1.00 0.00 H +ATOM 2279 HE3 MET A 151 9.744 -4.894 5.235 1.00 0.00 H +ATOM 2280 N THR A 152 3.983 -2.103 1.416 1.00 0.00 N +ATOM 2281 CA THR A 152 3.208 -1.283 0.500 1.00 0.00 C +ATOM 2282 C THR A 152 2.436 -0.209 1.269 1.00 0.00 C +ATOM 2283 O THR A 152 2.527 0.975 0.948 1.00 0.00 O +ATOM 2284 CB THR A 152 2.307 -2.210 -0.318 1.00 0.00 C +ATOM 2285 OG1 THR A 152 2.230 -1.581 -1.595 1.00 0.00 O +ATOM 2286 CG2 THR A 152 0.862 -2.214 0.183 1.00 0.00 C +ATOM 2287 H THR A 152 3.958 -3.085 1.229 1.00 0.00 H +ATOM 2288 HA THR A 152 3.899 -0.765 -0.166 1.00 0.00 H +ATOM 2289 HB THR A 152 2.713 -3.221 -0.346 1.00 0.00 H +ATOM 2290 HG1 THR A 152 1.770 -2.185 -2.246 1.00 0.00 H +ATOM 2291 HG21 THR A 152 0.582 -1.207 0.493 1.00 0.00 H +ATOM 2292 HG22 THR A 152 0.200 -2.545 -0.618 1.00 0.00 H +ATOM 2293 HG23 THR A 152 0.773 -2.893 1.031 1.00 0.00 H +ATOM 2294 N MET A 153 1.694 -0.660 2.269 1.00 0.00 N +ATOM 2295 CA MET A 153 0.907 0.247 3.086 1.00 0.00 C +ATOM 2296 C MET A 153 1.809 1.123 3.957 1.00 0.00 C +ATOM 2297 O MET A 153 1.422 2.223 4.348 1.00 0.00 O +ATOM 2298 CB MET A 153 -0.039 -0.559 3.979 1.00 0.00 C +ATOM 2299 CG MET A 153 0.735 -1.579 4.817 1.00 0.00 C +ATOM 2300 SD MET A 153 -0.400 -2.565 5.779 1.00 0.00 S +ATOM 2301 CE MET A 153 0.679 -3.070 7.108 1.00 0.00 C +ATOM 2302 H MET A 153 1.625 -1.625 2.523 1.00 0.00 H +ATOM 2303 HA MET A 153 0.354 0.870 2.382 1.00 0.00 H +ATOM 2304 HB2 MET A 153 -0.588 0.116 4.636 1.00 0.00 H +ATOM 2305 HB3 MET A 153 -0.776 -1.074 3.363 1.00 0.00 H +ATOM 2306 HG2 MET A 153 1.327 -2.222 4.166 1.00 0.00 H +ATOM 2307 HG3 MET A 153 1.433 -1.064 5.477 1.00 0.00 H +ATOM 2308 HE1 MET A 153 1.628 -2.539 7.029 1.00 0.00 H +ATOM 2309 HE2 MET A 153 0.212 -2.837 8.065 1.00 0.00 H +ATOM 2310 HE3 MET A 153 0.858 -4.144 7.044 1.00 0.00 H +ATOM 2311 N LEU A 154 2.995 0.603 4.235 1.00 0.00 N +ATOM 2312 CA LEU A 154 3.956 1.324 5.053 1.00 0.00 C +ATOM 2313 C LEU A 154 4.252 2.680 4.409 1.00 0.00 C +ATOM 2314 O LEU A 154 4.163 3.716 5.065 1.00 0.00 O +ATOM 2315 CB LEU A 154 5.203 0.471 5.292 1.00 0.00 C +ATOM 2316 CG LEU A 154 6.537 1.221 5.303 1.00 0.00 C +ATOM 2317 CD1 LEU A 154 7.130 1.305 3.895 1.00 0.00 C +ATOM 2318 CD2 LEU A 154 6.383 2.602 5.944 1.00 0.00 C +ATOM 2319 H LEU A 154 3.302 -0.293 3.913 1.00 0.00 H +ATOM 2320 HA LEU A 154 3.493 1.497 6.025 1.00 0.00 H +ATOM 2321 HB2 LEU A 154 5.090 -0.043 6.246 1.00 0.00 H +ATOM 2322 HB3 LEU A 154 5.247 -0.297 4.520 1.00 0.00 H +ATOM 2323 HG LEU A 154 7.240 0.658 5.916 1.00 0.00 H +ATOM 2324 HD11 LEU A 154 7.118 0.317 3.436 1.00 0.00 H +ATOM 2325 HD12 LEU A 154 6.538 1.994 3.292 1.00 0.00 H +ATOM 2326 HD13 LEU A 154 8.157 1.666 3.955 1.00 0.00 H +ATOM 2327 HD21 LEU A 154 5.428 2.656 6.467 1.00 0.00 H +ATOM 2328 HD22 LEU A 154 7.195 2.766 6.652 1.00 0.00 H +ATOM 2329 HD23 LEU A 154 6.417 3.368 5.169 1.00 0.00 H +ATOM 2330 N LEU A 155 4.597 2.628 3.130 1.00 0.00 N +ATOM 2331 CA LEU A 155 4.907 3.839 2.390 1.00 0.00 C +ATOM 2332 C LEU A 155 3.765 4.843 2.562 1.00 0.00 C +ATOM 2333 O LEU A 155 3.982 5.963 3.023 1.00 0.00 O +ATOM 2334 CB LEU A 155 5.220 3.509 0.929 1.00 0.00 C +ATOM 2335 CG LEU A 155 5.941 2.182 0.682 1.00 0.00 C +ATOM 2336 CD1 LEU A 155 7.383 2.239 1.189 1.00 0.00 C +ATOM 2337 CD2 LEU A 155 5.164 1.014 1.291 1.00 0.00 C +ATOM 2338 H LEU A 155 4.667 1.781 2.604 1.00 0.00 H +ATOM 2339 HA LEU A 155 5.811 4.266 2.825 1.00 0.00 H +ATOM 2340 HB2 LEU A 155 4.284 3.501 0.370 1.00 0.00 H +ATOM 2341 HB3 LEU A 155 5.830 4.313 0.518 1.00 0.00 H +ATOM 2342 HG LEU A 155 5.985 2.013 -0.394 1.00 0.00 H +ATOM 2343 HD11 LEU A 155 7.427 2.849 2.092 1.00 0.00 H +ATOM 2344 HD12 LEU A 155 7.729 1.230 1.416 1.00 0.00 H +ATOM 2345 HD13 LEU A 155 8.022 2.678 0.423 1.00 0.00 H +ATOM 2346 HD21 LEU A 155 4.139 1.325 1.492 1.00 0.00 H +ATOM 2347 HD22 LEU A 155 5.160 0.177 0.593 1.00 0.00 H +ATOM 2348 HD23 LEU A 155 5.640 0.708 2.223 1.00 0.00 H +ATOM 2349 N ALA A 156 2.573 4.406 2.182 1.00 0.00 N +ATOM 2350 CA ALA A 156 1.397 5.252 2.289 1.00 0.00 C +ATOM 2351 C ALA A 156 1.247 5.730 3.734 1.00 0.00 C +ATOM 2352 O ALA A 156 1.150 6.930 3.988 1.00 0.00 O +ATOM 2353 CB ALA A 156 0.168 4.483 1.799 1.00 0.00 C +ATOM 2354 H ALA A 156 2.405 3.494 1.809 1.00 0.00 H +ATOM 2355 HA ALA A 156 1.550 6.117 1.643 1.00 0.00 H +ATOM 2356 HB1 ALA A 156 0.399 3.419 1.757 1.00 0.00 H +ATOM 2357 HB2 ALA A 156 -0.661 4.648 2.486 1.00 0.00 H +ATOM 2358 HB3 ALA A 156 -0.108 4.834 0.804 1.00 0.00 H +ATOM 2359 N LYS A 157 1.233 4.767 4.644 1.00 0.00 N +ATOM 2360 CA LYS A 157 1.096 5.075 6.058 1.00 0.00 C +ATOM 2361 C LYS A 157 1.986 6.271 6.403 1.00 0.00 C +ATOM 2362 O LYS A 157 1.512 7.263 6.954 1.00 0.00 O +ATOM 2363 CB LYS A 157 1.379 3.833 6.906 1.00 0.00 C +ATOM 2364 CG LYS A 157 0.210 3.534 7.846 1.00 0.00 C +ATOM 2365 CD LYS A 157 0.103 4.596 8.943 1.00 0.00 C +ATOM 2366 CE LYS A 157 -1.234 5.335 8.862 1.00 0.00 C +ATOM 2367 NZ LYS A 157 -1.623 5.851 10.194 1.00 0.00 N +ATOM 2368 H LYS A 157 1.312 3.794 4.429 1.00 0.00 H +ATOM 2369 HA LYS A 157 0.058 5.355 6.232 1.00 0.00 H +ATOM 2370 HB2 LYS A 157 1.555 2.976 6.256 1.00 0.00 H +ATOM 2371 HB3 LYS A 157 2.288 3.985 7.487 1.00 0.00 H +ATOM 2372 HG2 LYS A 157 -0.720 3.499 7.278 1.00 0.00 H +ATOM 2373 HG3 LYS A 157 0.344 2.552 8.299 1.00 0.00 H +ATOM 2374 HD2 LYS A 157 0.203 4.125 9.921 1.00 0.00 H +ATOM 2375 HD3 LYS A 157 0.922 5.308 8.846 1.00 0.00 H +ATOM 2376 HE2 LYS A 157 -1.158 6.161 8.154 1.00 0.00 H +ATOM 2377 HE3 LYS A 157 -2.006 4.663 8.486 1.00 0.00 H +ATOM 2378 HZ1 LYS A 157 -2.237 5.210 10.685 1.00 0.00 H +ATOM 2379 HZ2 LYS A 157 -0.819 6.003 10.792 1.00 0.00 H +ATOM 2380 N LYS A 158 3.260 6.137 6.064 1.00 0.00 N +ATOM 2381 CA LYS A 158 4.220 7.195 6.332 1.00 0.00 C +ATOM 2382 C LYS A 158 4.069 8.293 5.278 1.00 0.00 C +ATOM 2383 O LYS A 158 3.838 9.454 5.614 1.00 0.00 O +ATOM 2384 CB LYS A 158 5.636 6.622 6.425 1.00 0.00 C +ATOM 2385 CG LYS A 158 5.906 6.051 7.819 1.00 0.00 C +ATOM 2386 CD LYS A 158 5.233 4.688 7.993 1.00 0.00 C +ATOM 2387 CE LYS A 158 4.510 4.602 9.339 1.00 0.00 C +ATOM 2388 NZ LYS A 158 4.910 3.375 10.064 1.00 0.00 N +ATOM 2389 H LYS A 158 3.637 5.327 5.616 1.00 0.00 H +ATOM 2390 HA LYS A 158 3.978 7.616 7.307 1.00 0.00 H +ATOM 2391 HB2 LYS A 158 5.766 5.840 5.676 1.00 0.00 H +ATOM 2392 HB3 LYS A 158 6.363 7.402 6.200 1.00 0.00 H +ATOM 2393 HG2 LYS A 158 6.980 5.953 7.973 1.00 0.00 H +ATOM 2394 HG3 LYS A 158 5.537 6.743 8.576 1.00 0.00 H +ATOM 2395 HD2 LYS A 158 4.522 4.524 7.183 1.00 0.00 H +ATOM 2396 HD3 LYS A 158 5.981 3.898 7.926 1.00 0.00 H +ATOM 2397 HE2 LYS A 158 4.744 5.480 9.941 1.00 0.00 H +ATOM 2398 HE3 LYS A 158 3.432 4.602 9.180 1.00 0.00 H +ATOM 2399 HZ1 LYS A 158 5.274 3.581 10.987 1.00 0.00 H +ATOM 2400 HZ2 LYS A 158 4.131 2.738 10.190 1.00 0.00 H +ATOM 2401 N VAL A 159 4.206 7.888 4.024 1.00 0.00 N +ATOM 2402 CA VAL A 159 4.087 8.824 2.918 1.00 0.00 C +ATOM 2403 C VAL A 159 2.807 9.645 3.085 1.00 0.00 C +ATOM 2404 O VAL A 159 2.856 10.872 3.146 1.00 0.00 O +ATOM 2405 CB VAL A 159 4.145 8.071 1.587 1.00 0.00 C +ATOM 2406 CG1 VAL A 159 4.084 9.041 0.406 1.00 0.00 C +ATOM 2407 CG2 VAL A 159 5.394 7.191 1.509 1.00 0.00 C +ATOM 2408 H VAL A 159 4.393 6.942 3.759 1.00 0.00 H +ATOM 2409 HA VAL A 159 4.944 9.496 2.963 1.00 0.00 H +ATOM 2410 HB VAL A 159 3.273 7.420 1.532 1.00 0.00 H +ATOM 2411 HG11 VAL A 159 3.762 10.022 0.757 1.00 0.00 H +ATOM 2412 HG12 VAL A 159 5.071 9.124 -0.048 1.00 0.00 H +ATOM 2413 HG13 VAL A 159 3.374 8.669 -0.333 1.00 0.00 H +ATOM 2414 HG21 VAL A 159 5.835 7.097 2.502 1.00 0.00 H +ATOM 2415 HG22 VAL A 159 5.120 6.203 1.138 1.00 0.00 H +ATOM 2416 HG23 VAL A 159 6.118 7.646 0.832 1.00 0.00 H +ATOM 2417 N ALA A 160 1.691 8.934 3.155 1.00 0.00 N +ATOM 2418 CA ALA A 160 0.400 9.581 3.314 1.00 0.00 C +ATOM 2419 C ALA A 160 0.571 10.852 4.149 1.00 0.00 C +ATOM 2420 O ALA A 160 -0.043 11.877 3.858 1.00 0.00 O +ATOM 2421 CB ALA A 160 -0.590 8.599 3.942 1.00 0.00 C +ATOM 2422 H ALA A 160 1.660 7.936 3.105 1.00 0.00 H +ATOM 2423 HA ALA A 160 0.041 9.854 2.321 1.00 0.00 H +ATOM 2424 HB1 ALA A 160 -0.214 8.275 4.913 1.00 0.00 H +ATOM 2425 HB2 ALA A 160 -1.555 9.089 4.072 1.00 0.00 H +ATOM 2426 HB3 ALA A 160 -0.707 7.733 3.290 1.00 0.00 H +ATOM 2427 N SER A 161 1.408 10.742 5.170 1.00 0.00 N +ATOM 2428 CA SER A 161 1.667 11.869 6.050 1.00 0.00 C +ATOM 2429 C SER A 161 3.136 12.286 5.947 1.00 0.00 C +ATOM 2430 O SER A 161 3.518 13.349 6.433 1.00 0.00 O +ATOM 2431 CB SER A 161 1.311 11.530 7.499 1.00 0.00 C +ATOM 2432 OG SER A 161 0.213 12.304 7.974 1.00 0.00 O +ATOM 2433 H SER A 161 1.903 9.904 5.400 1.00 0.00 H +ATOM 2434 HA SER A 161 1.017 12.668 5.694 1.00 0.00 H +ATOM 2435 HB2 SER A 161 1.068 10.471 7.574 1.00 0.00 H +ATOM 2436 HB3 SER A 161 2.179 11.704 8.135 1.00 0.00 H +ATOM 2437 HG SER A 161 0.173 13.177 7.487 1.00 0.00 H +ATOM 2438 N HIS A 162 3.919 11.426 5.312 1.00 0.00 N +ATOM 2439 CA HIS A 162 5.337 11.692 5.140 1.00 0.00 C +ATOM 2440 C HIS A 162 5.571 12.370 3.788 1.00 0.00 C +ATOM 2441 O HIS A 162 6.251 13.392 3.712 1.00 0.00 O +ATOM 2442 CB HIS A 162 6.154 10.410 5.309 1.00 0.00 C +ATOM 2443 CG HIS A 162 7.647 10.618 5.222 1.00 0.00 C +ATOM 2444 ND1 HIS A 162 8.470 10.622 6.336 1.00 0.00 N +ATOM 2445 CD2 HIS A 162 8.457 10.827 4.145 1.00 0.00 C +ATOM 2446 CE1 HIS A 162 9.716 10.827 5.934 1.00 0.00 C +ATOM 2447 NE2 HIS A 162 9.706 10.954 4.576 1.00 0.00 N +ATOM 2448 H HIS A 162 3.600 10.564 4.920 1.00 0.00 H +ATOM 2449 HA HIS A 162 5.625 12.378 5.936 1.00 0.00 H +ATOM 2450 HB2 HIS A 162 5.915 9.964 6.275 1.00 0.00 H +ATOM 2451 HB3 HIS A 162 5.852 9.695 4.545 1.00 0.00 H +ATOM 2452 HD1 HIS A 162 8.174 10.493 7.282 1.00 0.00 H +ATOM 2453 HD2 HIS A 162 8.133 10.881 3.105 1.00 0.00 H +ATOM 2454 HE1 HIS A 162 10.595 10.883 6.576 1.00 0.00 H +ATOM 2455 N ALA A 163 4.995 11.773 2.755 1.00 0.00 N +ATOM 2456 CA ALA A 163 5.133 12.307 1.411 1.00 0.00 C +ATOM 2457 C ALA A 163 3.756 12.723 0.888 1.00 0.00 C +ATOM 2458 O ALA A 163 3.120 11.980 0.143 1.00 0.00 O +ATOM 2459 CB ALA A 163 5.806 11.265 0.514 1.00 0.00 C +ATOM 2460 H ALA A 163 4.444 10.942 2.826 1.00 0.00 H +ATOM 2461 HA ALA A 163 5.773 13.187 1.467 1.00 0.00 H +ATOM 2462 HB1 ALA A 163 5.977 10.352 1.084 1.00 0.00 H +ATOM 2463 HB2 ALA A 163 5.160 11.047 -0.336 1.00 0.00 H +ATOM 2464 HB3 ALA A 163 6.759 11.655 0.157 1.00 0.00 H +ATOM 2465 N PRO A 164 3.326 13.942 1.311 1.00 0.00 N +ATOM 2466 CA PRO A 164 2.037 14.467 0.894 1.00 0.00 C +ATOM 2467 C PRO A 164 2.084 14.948 -0.558 1.00 0.00 C +ATOM 2468 O PRO A 164 1.068 15.368 -1.110 1.00 0.00 O +ATOM 2469 CB PRO A 164 1.728 15.582 1.879 1.00 0.00 C +ATOM 2470 CG PRO A 164 3.056 15.949 2.522 1.00 0.00 C +ATOM 2471 CD PRO A 164 4.053 14.850 2.193 1.00 0.00 C +ATOM 2472 HA PRO A 164 1.344 13.746 0.920 1.00 0.00 H +ATOM 2473 HB2 PRO A 164 1.288 16.441 1.372 1.00 0.00 H +ATOM 2474 HB3 PRO A 164 1.009 15.252 2.629 1.00 0.00 H +ATOM 2475 HG2 PRO A 164 3.409 16.910 2.147 1.00 0.00 H +ATOM 2476 HG3 PRO A 164 2.942 16.052 3.601 1.00 0.00 H +ATOM 2477 HD2 PRO A 164 4.939 15.253 1.704 1.00 0.00 H +ATOM 2478 HD3 PRO A 164 4.391 14.340 3.095 1.00 0.00 H +ATOM 2479 N SER A 165 3.274 14.871 -1.135 1.00 0.00 N +ATOM 2480 CA SER A 165 3.467 15.294 -2.512 1.00 0.00 C +ATOM 2481 C SER A 165 3.408 14.082 -3.444 1.00 0.00 C +ATOM 2482 O SER A 165 3.323 14.235 -4.662 1.00 0.00 O +ATOM 2483 CB SER A 165 4.799 16.029 -2.681 1.00 0.00 C +ATOM 2484 OG SER A 165 4.638 17.444 -2.627 1.00 0.00 O +ATOM 2485 H SER A 165 4.096 14.528 -0.679 1.00 0.00 H +ATOM 2486 HA SER A 165 2.646 15.978 -2.721 1.00 0.00 H +ATOM 2487 HB2 SER A 165 5.489 15.713 -1.899 1.00 0.00 H +ATOM 2488 HB3 SER A 165 5.248 15.751 -3.634 1.00 0.00 H +ATOM 2489 HG SER A 165 5.346 17.847 -2.048 1.00 0.00 H +ATOM 2490 N LEU A 166 3.456 12.905 -2.837 1.00 0.00 N +ATOM 2491 CA LEU A 166 3.409 11.668 -3.598 1.00 0.00 C +ATOM 2492 C LEU A 166 2.088 10.950 -3.313 1.00 0.00 C +ATOM 2493 O LEU A 166 2.060 9.728 -3.172 1.00 0.00 O +ATOM 2494 CB LEU A 166 4.647 10.816 -3.312 1.00 0.00 C +ATOM 2495 CG LEU A 166 5.842 11.037 -4.241 1.00 0.00 C +ATOM 2496 CD1 LEU A 166 7.098 10.358 -3.690 1.00 0.00 C +ATOM 2497 CD2 LEU A 166 5.522 10.580 -5.666 1.00 0.00 C +ATOM 2498 H LEU A 166 3.526 12.790 -1.846 1.00 0.00 H +ATOM 2499 HA LEU A 166 3.437 11.934 -4.655 1.00 0.00 H +ATOM 2500 HB2 LEU A 166 4.967 11.008 -2.288 1.00 0.00 H +ATOM 2501 HB3 LEU A 166 4.360 9.766 -3.365 1.00 0.00 H +ATOM 2502 HG LEU A 166 6.048 12.107 -4.285 1.00 0.00 H +ATOM 2503 HD11 LEU A 166 6.828 9.732 -2.840 1.00 0.00 H +ATOM 2504 HD12 LEU A 166 7.548 9.742 -4.468 1.00 0.00 H +ATOM 2505 HD13 LEU A 166 7.811 11.118 -3.370 1.00 0.00 H +ATOM 2506 HD21 LEU A 166 4.458 10.715 -5.860 1.00 0.00 H +ATOM 2507 HD22 LEU A 166 6.099 11.172 -6.376 1.00 0.00 H +ATOM 2508 HD23 LEU A 166 5.780 9.527 -5.776 1.00 0.00 H +ATOM 2509 N LEU A 167 1.026 11.738 -3.238 1.00 0.00 N +ATOM 2510 CA LEU A 167 -0.294 11.193 -2.973 1.00 0.00 C +ATOM 2511 C LEU A 167 -0.573 10.048 -3.949 1.00 0.00 C +ATOM 2512 O LEU A 167 -0.789 8.911 -3.532 1.00 0.00 O +ATOM 2513 CB LEU A 167 -1.348 12.301 -3.006 1.00 0.00 C +ATOM 2514 CG LEU A 167 -1.529 13.014 -4.348 1.00 0.00 C +ATOM 2515 CD1 LEU A 167 -0.181 13.240 -5.034 1.00 0.00 C +ATOM 2516 CD2 LEU A 167 -2.509 12.256 -5.244 1.00 0.00 C +ATOM 2517 H LEU A 167 1.058 12.731 -3.354 1.00 0.00 H +ATOM 2518 HA LEU A 167 -0.283 10.789 -1.960 1.00 0.00 H +ATOM 2519 HB2 LEU A 167 -2.307 11.872 -2.713 1.00 0.00 H +ATOM 2520 HB3 LEU A 167 -1.089 13.045 -2.253 1.00 0.00 H +ATOM 2521 HG LEU A 167 -1.962 13.997 -4.157 1.00 0.00 H +ATOM 2522 HD11 LEU A 167 0.403 12.320 -5.001 1.00 0.00 H +ATOM 2523 HD12 LEU A 167 -0.346 13.528 -6.073 1.00 0.00 H +ATOM 2524 HD13 LEU A 167 0.361 14.033 -4.519 1.00 0.00 H +ATOM 2525 HD21 LEU A 167 -2.375 11.183 -5.103 1.00 0.00 H +ATOM 2526 HD22 LEU A 167 -3.530 12.532 -4.982 1.00 0.00 H +ATOM 2527 HD23 LEU A 167 -2.320 12.512 -6.287 1.00 0.00 H +ATOM 2528 N ARG A 168 -0.561 10.388 -5.229 1.00 0.00 N +ATOM 2529 CA ARG A 168 -0.810 9.403 -6.268 1.00 0.00 C +ATOM 2530 C ARG A 168 0.136 8.212 -6.107 1.00 0.00 C +ATOM 2531 O ARG A 168 -0.291 7.061 -6.188 1.00 0.00 O +ATOM 2532 CB ARG A 168 -0.623 10.011 -7.659 1.00 0.00 C +ATOM 2533 CG ARG A 168 0.851 9.994 -8.071 1.00 0.00 C +ATOM 2534 CD ARG A 168 1.028 10.524 -9.495 1.00 0.00 C +ATOM 2535 NE ARG A 168 2.350 10.119 -10.025 1.00 0.00 N +ATOM 2536 CZ ARG A 168 2.775 10.381 -11.279 1.00 0.00 C +ATOM 2537 NH1 ARG A 168 1.984 11.050 -12.145 1.00 0.00 N +ATOM 2538 NH2 ARG A 168 3.975 9.972 -11.646 1.00 0.00 N +ATOM 2539 H ARG A 168 -0.385 11.316 -5.560 1.00 0.00 H +ATOM 2540 HA ARG A 168 -1.848 9.103 -6.123 1.00 0.00 H +ATOM 2541 HB2 ARG A 168 -1.213 9.453 -8.386 1.00 0.00 H +ATOM 2542 HB3 ARG A 168 -0.994 11.036 -7.666 1.00 0.00 H +ATOM 2543 HG2 ARG A 168 1.433 10.601 -7.378 1.00 0.00 H +ATOM 2544 HG3 ARG A 168 1.238 8.977 -8.007 1.00 0.00 H +ATOM 2545 HD2 ARG A 168 0.237 10.138 -10.137 1.00 0.00 H +ATOM 2546 HD3 ARG A 168 0.942 11.610 -9.501 1.00 0.00 H +ATOM 2547 HE ARG A 168 2.967 9.621 -9.415 1.00 0.00 H +ATOM 2548 HH22 ARG A 168 4.364 10.125 -12.555 1.00 0.00 H +ATOM 2549 N ASP A 169 1.403 8.528 -5.883 1.00 0.00 N +ATOM 2550 CA ASP A 169 2.412 7.498 -5.710 1.00 0.00 C +ATOM 2551 C ASP A 169 2.102 6.693 -4.447 1.00 0.00 C +ATOM 2552 O ASP A 169 2.293 5.478 -4.419 1.00 0.00 O +ATOM 2553 CB ASP A 169 3.804 8.112 -5.550 1.00 0.00 C +ATOM 2554 CG ASP A 169 4.789 7.277 -4.729 1.00 0.00 C +ATOM 2555 OD1 ASP A 169 5.027 6.099 -5.197 1.00 0.00 O +ATOM 2556 OD2 ASP A 169 5.303 7.729 -3.695 1.00 0.00 O +ATOM 2557 H ASP A 169 1.741 9.467 -5.819 1.00 0.00 H +ATOM 2558 HA ASP A 169 2.360 6.892 -6.615 1.00 0.00 H +ATOM 2559 HB2 ASP A 169 4.229 8.278 -6.540 1.00 0.00 H +ATOM 2560 HB3 ASP A 169 3.701 9.091 -5.080 1.00 0.00 H +ATOM 2561 N VAL A 170 1.629 7.402 -3.433 1.00 0.00 N +ATOM 2562 CA VAL A 170 1.291 6.768 -2.170 1.00 0.00 C +ATOM 2563 C VAL A 170 0.430 5.533 -2.439 1.00 0.00 C +ATOM 2564 O VAL A 170 0.769 4.430 -2.012 1.00 0.00 O +ATOM 2565 CB VAL A 170 0.613 7.779 -1.242 1.00 0.00 C +ATOM 2566 CG1 VAL A 170 -0.878 7.471 -1.092 1.00 0.00 C +ATOM 2567 CG2 VAL A 170 1.304 7.821 0.122 1.00 0.00 C +ATOM 2568 H VAL A 170 1.477 8.390 -3.464 1.00 0.00 H +ATOM 2569 HA VAL A 170 2.222 6.452 -1.701 1.00 0.00 H +ATOM 2570 HB VAL A 170 0.708 8.766 -1.696 1.00 0.00 H +ATOM 2571 HG11 VAL A 170 -1.006 6.434 -0.783 1.00 0.00 H +ATOM 2572 HG12 VAL A 170 -1.311 8.131 -0.340 1.00 0.00 H +ATOM 2573 HG13 VAL A 170 -1.380 7.630 -2.047 1.00 0.00 H +ATOM 2574 HG21 VAL A 170 2.165 7.151 0.114 1.00 0.00 H +ATOM 2575 HG22 VAL A 170 1.638 8.837 0.330 1.00 0.00 H +ATOM 2576 HG23 VAL A 170 0.604 7.503 0.894 1.00 0.00 H +ATOM 2577 N PHE A 171 -0.669 5.758 -3.145 1.00 0.00 N +ATOM 2578 CA PHE A 171 -1.581 4.677 -3.476 1.00 0.00 C +ATOM 2579 C PHE A 171 -0.879 3.604 -4.310 1.00 0.00 C +ATOM 2580 O PHE A 171 -0.988 2.414 -4.017 1.00 0.00 O +ATOM 2581 CB PHE A 171 -2.716 5.286 -4.300 1.00 0.00 C +ATOM 2582 CG PHE A 171 -4.051 5.370 -3.556 1.00 0.00 C +ATOM 2583 CD1 PHE A 171 -4.067 5.498 -2.202 1.00 0.00 C +ATOM 2584 CD2 PHE A 171 -5.220 5.317 -4.248 1.00 0.00 C +ATOM 2585 CE1 PHE A 171 -5.305 5.576 -1.511 1.00 0.00 C +ATOM 2586 CE2 PHE A 171 -6.458 5.395 -3.557 1.00 0.00 C +ATOM 2587 CZ PHE A 171 -6.475 5.523 -2.203 1.00 0.00 C +ATOM 2588 H PHE A 171 -0.938 6.658 -3.488 1.00 0.00 H +ATOM 2589 HA PHE A 171 -1.919 4.240 -2.536 1.00 0.00 H +ATOM 2590 HB2 PHE A 171 -2.425 6.288 -4.617 1.00 0.00 H +ATOM 2591 HB3 PHE A 171 -2.854 4.694 -5.205 1.00 0.00 H +ATOM 2592 HD1 PHE A 171 -3.130 5.541 -1.647 1.00 0.00 H +ATOM 2593 HD2 PHE A 171 -5.207 5.215 -5.333 1.00 0.00 H +ATOM 2594 HE1 PHE A 171 -5.318 5.679 -0.426 1.00 0.00 H +ATOM 2595 HE2 PHE A 171 -7.395 5.353 -4.112 1.00 0.00 H +ATOM 2596 HZ PHE A 171 -7.425 5.583 -1.673 1.00 0.00 H +ATOM 2597 N HIS A 172 -0.176 4.063 -5.335 1.00 0.00 N +ATOM 2598 CA HIS A 172 0.544 3.157 -6.214 1.00 0.00 C +ATOM 2599 C HIS A 172 1.448 2.245 -5.383 1.00 0.00 C +ATOM 2600 O HIS A 172 1.623 1.072 -5.710 1.00 0.00 O +ATOM 2601 CB HIS A 172 1.309 3.934 -7.287 1.00 0.00 C +ATOM 2602 CG HIS A 172 1.983 3.059 -8.317 1.00 0.00 C +ATOM 2603 ND1 HIS A 172 2.850 3.558 -9.273 1.00 0.00 N +ATOM 2604 CD2 HIS A 172 1.908 1.713 -8.529 1.00 0.00 C +ATOM 2605 CE1 HIS A 172 3.271 2.549 -10.022 1.00 0.00 C +ATOM 2606 NE2 HIS A 172 2.685 1.407 -9.560 1.00 0.00 N +ATOM 2607 H HIS A 172 -0.093 5.032 -5.567 1.00 0.00 H +ATOM 2608 HA HIS A 172 -0.207 2.548 -6.718 1.00 0.00 H +ATOM 2609 HB2 HIS A 172 0.620 4.609 -7.793 1.00 0.00 H +ATOM 2610 HB3 HIS A 172 2.064 4.554 -6.802 1.00 0.00 H +ATOM 2611 HD1 HIS A 172 3.114 4.516 -9.380 1.00 0.00 H +ATOM 2612 HD2 HIS A 172 1.310 1.009 -7.950 1.00 0.00 H +ATOM 2613 HE1 HIS A 172 3.964 2.620 -10.861 1.00 0.00 H +ATOM 2614 N THR A 173 2.000 2.819 -4.324 1.00 0.00 N +ATOM 2615 CA THR A 173 2.883 2.073 -3.443 1.00 0.00 C +ATOM 2616 C THR A 173 2.155 0.859 -2.863 1.00 0.00 C +ATOM 2617 O THR A 173 2.684 -0.252 -2.876 1.00 0.00 O +ATOM 2618 CB THR A 173 3.408 3.034 -2.375 1.00 0.00 C +ATOM 2619 OG1 THR A 173 4.089 4.041 -3.119 1.00 0.00 O +ATOM 2620 CG2 THR A 173 4.502 2.406 -1.510 1.00 0.00 C +ATOM 2621 H THR A 173 1.853 3.774 -4.065 1.00 0.00 H +ATOM 2622 HA THR A 173 3.717 1.694 -4.034 1.00 0.00 H +ATOM 2623 HB THR A 173 2.593 3.414 -1.759 1.00 0.00 H +ATOM 2624 HG1 THR A 173 4.754 3.620 -3.735 1.00 0.00 H +ATOM 2625 HG21 THR A 173 4.962 1.578 -2.049 1.00 0.00 H +ATOM 2626 HG22 THR A 173 5.260 3.156 -1.281 1.00 0.00 H +ATOM 2627 HG23 THR A 173 4.065 2.037 -0.582 1.00 0.00 H +ATOM 2628 N THR A 174 0.953 1.111 -2.367 1.00 0.00 N +ATOM 2629 CA THR A 174 0.147 0.052 -1.783 1.00 0.00 C +ATOM 2630 C THR A 174 -0.169 -1.017 -2.830 1.00 0.00 C +ATOM 2631 O THR A 174 0.248 -2.167 -2.694 1.00 0.00 O +ATOM 2632 CB THR A 174 -1.102 0.691 -1.171 1.00 0.00 C +ATOM 2633 OG1 THR A 174 -1.919 1.003 -2.297 1.00 0.00 O +ATOM 2634 CG2 THR A 174 -0.811 2.051 -0.533 1.00 0.00 C +ATOM 2635 H THR A 174 0.529 2.017 -2.360 1.00 0.00 H +ATOM 2636 HA THR A 174 0.730 -0.431 -0.999 1.00 0.00 H +ATOM 2637 HB THR A 174 -1.573 0.017 -0.455 1.00 0.00 H +ATOM 2638 HG1 THR A 174 -2.707 1.545 -2.007 1.00 0.00 H +ATOM 2639 HG21 THR A 174 0.237 2.097 -0.237 1.00 0.00 H +ATOM 2640 HG22 THR A 174 -1.021 2.842 -1.253 1.00 0.00 H +ATOM 2641 HG23 THR A 174 -1.443 2.182 0.345 1.00 0.00 H +ATOM 2642 N VAL A 175 -0.903 -0.602 -3.852 1.00 0.00 N +ATOM 2643 CA VAL A 175 -1.279 -1.510 -4.922 1.00 0.00 C +ATOM 2644 C VAL A 175 -0.040 -1.860 -5.747 1.00 0.00 C +ATOM 2645 O VAL A 175 -0.147 -2.493 -6.796 1.00 0.00 O +ATOM 2646 CB VAL A 175 -2.401 -0.894 -5.760 1.00 0.00 C +ATOM 2647 CG1 VAL A 175 -2.338 -1.387 -7.207 1.00 0.00 C +ATOM 2648 CG2 VAL A 175 -3.770 -1.183 -5.142 1.00 0.00 C +ATOM 2649 H VAL A 175 -1.239 0.335 -3.955 1.00 0.00 H +ATOM 2650 HA VAL A 175 -1.663 -2.420 -4.461 1.00 0.00 H +ATOM 2651 HB VAL A 175 -2.259 0.187 -5.769 1.00 0.00 H +ATOM 2652 HG11 VAL A 175 -2.199 -2.469 -7.216 1.00 0.00 H +ATOM 2653 HG12 VAL A 175 -3.268 -1.136 -7.718 1.00 0.00 H +ATOM 2654 HG13 VAL A 175 -1.502 -0.909 -7.718 1.00 0.00 H +ATOM 2655 HG21 VAL A 175 -3.860 -2.250 -4.939 1.00 0.00 H +ATOM 2656 HG22 VAL A 175 -3.873 -0.626 -4.210 1.00 0.00 H +ATOM 2657 HG23 VAL A 175 -4.554 -0.878 -5.835 1.00 0.00 H +ATOM 2658 N ASN A 176 1.108 -1.434 -5.241 1.00 0.00 N +ATOM 2659 CA ASN A 176 2.367 -1.695 -5.918 1.00 0.00 C +ATOM 2660 C ASN A 176 2.784 -3.146 -5.670 1.00 0.00 C +ATOM 2661 O ASN A 176 2.943 -3.920 -6.612 1.00 0.00 O +ATOM 2662 CB ASN A 176 3.478 -0.787 -5.386 1.00 0.00 C +ATOM 2663 CG ASN A 176 4.541 -1.598 -4.643 1.00 0.00 C +ATOM 2664 OD1 ASN A 176 5.442 -2.174 -5.229 1.00 0.00 O +ATOM 2665 ND2 ASN A 176 4.385 -1.612 -3.322 1.00 0.00 N +ATOM 2666 H ASN A 176 1.187 -0.920 -4.387 1.00 0.00 H +ATOM 2667 HA ASN A 176 2.174 -1.491 -6.971 1.00 0.00 H +ATOM 2668 HB2 ASN A 176 3.939 -0.248 -6.214 1.00 0.00 H +ATOM 2669 HB3 ASN A 176 3.051 -0.039 -4.717 1.00 0.00 H +ATOM 2670 HD21 ASN A 176 3.623 -1.118 -2.903 1.00 0.00 H +ATOM 2671 HD22 ASN A 176 5.030 -2.116 -2.748 1.00 0.00 H +ATOM 2672 N PHE A 177 2.948 -3.471 -4.396 1.00 0.00 N +ATOM 2673 CA PHE A 177 3.343 -4.816 -4.011 1.00 0.00 C +ATOM 2674 C PHE A 177 2.300 -5.842 -4.458 1.00 0.00 C +ATOM 2675 O PHE A 177 2.633 -6.822 -5.123 1.00 0.00 O +ATOM 2676 CB PHE A 177 3.438 -4.835 -2.484 1.00 0.00 C +ATOM 2677 CG PHE A 177 4.837 -4.535 -1.944 1.00 0.00 C +ATOM 2678 CD1 PHE A 177 5.740 -3.880 -2.722 1.00 0.00 C +ATOM 2679 CD2 PHE A 177 5.179 -4.924 -0.686 1.00 0.00 C +ATOM 2680 CE1 PHE A 177 7.040 -3.602 -2.221 1.00 0.00 C +ATOM 2681 CE2 PHE A 177 6.478 -4.645 -0.185 1.00 0.00 C +ATOM 2682 CZ PHE A 177 7.381 -3.990 -0.963 1.00 0.00 C +ATOM 2683 H PHE A 177 2.816 -2.836 -3.635 1.00 0.00 H +ATOM 2684 HA PHE A 177 4.292 -5.027 -4.503 1.00 0.00 H +ATOM 2685 HB2 PHE A 177 2.738 -4.104 -2.078 1.00 0.00 H +ATOM 2686 HB3 PHE A 177 3.122 -5.813 -2.123 1.00 0.00 H +ATOM 2687 HD1 PHE A 177 5.467 -3.568 -3.730 1.00 0.00 H +ATOM 2688 HD2 PHE A 177 4.455 -5.449 -0.063 1.00 0.00 H +ATOM 2689 HE1 PHE A 177 7.763 -3.077 -2.844 1.00 0.00 H +ATOM 2690 HE2 PHE A 177 6.751 -4.957 0.823 1.00 0.00 H +ATOM 2691 HZ PHE A 177 8.378 -3.777 -0.578 1.00 0.00 H +ATOM 2692 N ILE A 178 1.058 -5.583 -4.075 1.00 0.00 N +ATOM 2693 CA ILE A 178 -0.035 -6.472 -4.428 1.00 0.00 C +ATOM 2694 C ILE A 178 -0.086 -6.632 -5.948 1.00 0.00 C +ATOM 2695 O ILE A 178 -0.266 -7.739 -6.454 1.00 0.00 O +ATOM 2696 CB ILE A 178 -1.348 -5.976 -3.818 1.00 0.00 C +ATOM 2697 CG1 ILE A 178 -2.430 -5.830 -4.889 1.00 0.00 C +ATOM 2698 CG2 ILE A 178 -1.133 -4.677 -3.038 1.00 0.00 C +ATOM 2699 CD1 ILE A 178 -2.524 -4.383 -5.380 1.00 0.00 C +ATOM 2700 H ILE A 178 0.795 -4.784 -3.534 1.00 0.00 H +ATOM 2701 HA ILE A 178 0.178 -7.445 -3.985 1.00 0.00 H +ATOM 2702 HB ILE A 178 -1.698 -6.724 -3.106 1.00 0.00 H +ATOM 2703 HG12 ILE A 178 -2.207 -6.489 -5.728 1.00 0.00 H +ATOM 2704 HG13 ILE A 178 -3.392 -6.143 -4.485 1.00 0.00 H +ATOM 2705 HG21 ILE A 178 -0.695 -3.926 -3.696 1.00 0.00 H +ATOM 2706 HG22 ILE A 178 -2.091 -4.315 -2.664 1.00 0.00 H +ATOM 2707 HG23 ILE A 178 -0.462 -4.862 -2.200 1.00 0.00 H +ATOM 2708 HD11 ILE A 178 -1.546 -4.056 -5.735 1.00 0.00 H +ATOM 2709 HD12 ILE A 178 -3.245 -4.323 -6.195 1.00 0.00 H +ATOM 2710 HD13 ILE A 178 -2.847 -3.742 -4.561 1.00 0.00 H +ATOM 2711 N ASN A 179 0.076 -5.511 -6.635 1.00 0.00 N +ATOM 2712 CA ASN A 179 0.051 -5.513 -8.088 1.00 0.00 C +ATOM 2713 C ASN A 179 1.226 -6.341 -8.613 1.00 0.00 C +ATOM 2714 O ASN A 179 1.069 -7.128 -9.544 1.00 0.00 O +ATOM 2715 CB ASN A 179 0.187 -4.094 -8.643 1.00 0.00 C +ATOM 2716 CG ASN A 179 0.418 -4.117 -10.156 1.00 0.00 C +ATOM 2717 OD1 ASN A 179 1.305 -4.783 -10.664 1.00 0.00 O +ATOM 2718 ND2 ASN A 179 -0.426 -3.354 -10.844 1.00 0.00 N +ATOM 2719 H ASN A 179 0.222 -4.615 -6.217 1.00 0.00 H +ATOM 2720 HA ASN A 179 -0.914 -5.942 -8.357 1.00 0.00 H +ATOM 2721 HB2 ASN A 179 -0.715 -3.524 -8.419 1.00 0.00 H +ATOM 2722 HB3 ASN A 179 1.016 -3.585 -8.152 1.00 0.00 H +ATOM 2723 HD21 ASN A 179 -1.132 -2.832 -10.365 1.00 0.00 H +ATOM 2724 HD22 ASN A 179 -0.355 -3.303 -11.840 1.00 0.00 H +ATOM 2725 N GLN A 180 2.378 -6.133 -7.992 1.00 0.00 N +ATOM 2726 CA GLN A 180 3.580 -6.850 -8.385 1.00 0.00 C +ATOM 2727 C GLN A 180 3.540 -8.284 -7.853 1.00 0.00 C +ATOM 2728 O GLN A 180 4.199 -9.169 -8.396 1.00 0.00 O +ATOM 2729 CB GLN A 180 4.836 -6.121 -7.903 1.00 0.00 C +ATOM 2730 CG GLN A 180 5.603 -5.513 -9.079 1.00 0.00 C +ATOM 2731 CD GLN A 180 6.489 -6.561 -9.755 1.00 0.00 C +ATOM 2732 OE1 GLN A 180 6.171 -7.737 -9.812 1.00 0.00 O +ATOM 2733 NE2 GLN A 180 7.617 -6.070 -10.262 1.00 0.00 N +ATOM 2734 H GLN A 180 2.498 -5.490 -7.235 1.00 0.00 H +ATOM 2735 HA GLN A 180 3.569 -6.859 -9.475 1.00 0.00 H +ATOM 2736 HB2 GLN A 180 4.557 -5.335 -7.201 1.00 0.00 H +ATOM 2737 HB3 GLN A 180 5.480 -6.815 -7.364 1.00 0.00 H +ATOM 2738 HG2 GLN A 180 4.899 -5.104 -9.804 1.00 0.00 H +ATOM 2739 HG3 GLN A 180 6.217 -4.684 -8.728 1.00 0.00 H +ATOM 2740 HE21 GLN A 180 7.818 -5.094 -10.181 1.00 0.00 H +ATOM 2741 HE22 GLN A 180 8.263 -6.677 -10.724 1.00 0.00 H +ATOM 2742 N ASN A 181 2.761 -8.468 -6.797 1.00 0.00 N +ATOM 2743 CA ASN A 181 2.627 -9.779 -6.186 1.00 0.00 C +ATOM 2744 C ASN A 181 1.310 -10.415 -6.637 1.00 0.00 C +ATOM 2745 O ASN A 181 0.792 -10.089 -7.704 1.00 0.00 O +ATOM 2746 CB ASN A 181 2.603 -9.676 -4.660 1.00 0.00 C +ATOM 2747 CG ASN A 181 3.075 -10.980 -4.014 1.00 0.00 C +ATOM 2748 OD1 ASN A 181 2.414 -11.559 -3.168 1.00 0.00 O +ATOM 2749 ND2 ASN A 181 4.253 -11.408 -4.459 1.00 0.00 N +ATOM 2750 H ASN A 181 2.228 -7.742 -6.362 1.00 0.00 H +ATOM 2751 HA ASN A 181 3.498 -10.342 -6.521 1.00 0.00 H +ATOM 2752 HB2 ASN A 181 3.243 -8.854 -4.337 1.00 0.00 H +ATOM 2753 HB3 ASN A 181 1.593 -9.444 -4.323 1.00 0.00 H +ATOM 2754 HD21 ASN A 181 4.745 -10.885 -5.156 1.00 0.00 H +ATOM 2755 HD22 ASN A 181 4.647 -12.253 -4.098 1.00 0.00 H +ATOM 2756 N LEU A 182 0.806 -11.311 -5.801 1.00 0.00 N +ATOM 2757 CA LEU A 182 -0.440 -11.996 -6.101 1.00 0.00 C +ATOM 2758 C LEU A 182 -1.598 -11.254 -5.430 1.00 0.00 C +ATOM 2759 O LEU A 182 -2.129 -11.709 -4.418 1.00 0.00 O +ATOM 2760 CB LEU A 182 -0.348 -13.472 -5.710 1.00 0.00 C +ATOM 2761 CG LEU A 182 1.057 -14.078 -5.704 1.00 0.00 C +ATOM 2762 CD1 LEU A 182 1.906 -13.506 -6.841 1.00 0.00 C +ATOM 2763 CD2 LEU A 182 1.727 -13.894 -4.340 1.00 0.00 C +ATOM 2764 H LEU A 182 1.233 -11.571 -4.935 1.00 0.00 H +ATOM 2765 HA LEU A 182 -0.584 -11.956 -7.180 1.00 0.00 H +ATOM 2766 HB2 LEU A 182 -0.778 -13.593 -4.716 1.00 0.00 H +ATOM 2767 HB3 LEU A 182 -0.967 -14.049 -6.397 1.00 0.00 H +ATOM 2768 HG LEU A 182 0.968 -15.150 -5.876 1.00 0.00 H +ATOM 2769 HD11 LEU A 182 1.258 -13.014 -7.566 1.00 0.00 H +ATOM 2770 HD12 LEU A 182 2.615 -12.783 -6.438 1.00 0.00 H +ATOM 2771 HD13 LEU A 182 2.450 -14.314 -7.330 1.00 0.00 H +ATOM 2772 HD21 LEU A 182 1.085 -13.290 -3.699 1.00 0.00 H +ATOM 2773 HD22 LEU A 182 1.888 -14.868 -3.880 1.00 0.00 H +ATOM 2774 HD23 LEU A 182 2.686 -13.391 -4.471 1.00 0.00 H +ATOM 2775 N PHE A 183 -1.956 -10.124 -6.022 1.00 0.00 N +ATOM 2776 CA PHE A 183 -3.042 -9.314 -5.495 1.00 0.00 C +ATOM 2777 C PHE A 183 -3.277 -9.611 -4.012 1.00 0.00 C +ATOM 2778 O PHE A 183 -2.728 -8.933 -3.145 1.00 0.00 O +ATOM 2779 CB PHE A 183 -4.300 -9.685 -6.282 1.00 0.00 C +ATOM 2780 CG PHE A 183 -5.606 -9.418 -5.532 1.00 0.00 C +ATOM 2781 CD1 PHE A 183 -5.761 -8.267 -4.825 1.00 0.00 C +ATOM 2782 CD2 PHE A 183 -6.612 -10.332 -5.571 1.00 0.00 C +ATOM 2783 CE1 PHE A 183 -6.973 -8.019 -4.128 1.00 0.00 C +ATOM 2784 CE2 PHE A 183 -7.824 -10.085 -4.874 1.00 0.00 C +ATOM 2785 CZ PHE A 183 -7.979 -8.933 -4.167 1.00 0.00 C +ATOM 2786 H PHE A 183 -1.520 -9.760 -6.845 1.00 0.00 H +ATOM 2787 HA PHE A 183 -2.754 -8.270 -5.613 1.00 0.00 H +ATOM 2788 HB2 PHE A 183 -4.309 -9.125 -7.217 1.00 0.00 H +ATOM 2789 HB3 PHE A 183 -4.253 -10.742 -6.545 1.00 0.00 H +ATOM 2790 HD1 PHE A 183 -4.954 -7.534 -4.793 1.00 0.00 H +ATOM 2791 HD2 PHE A 183 -6.488 -11.255 -6.138 1.00 0.00 H +ATOM 2792 HE1 PHE A 183 -7.097 -7.096 -3.561 1.00 0.00 H +ATOM 2793 HE2 PHE A 183 -8.630 -10.817 -4.906 1.00 0.00 H +ATOM 2794 HZ PHE A 183 -8.909 -8.743 -3.632 1.00 0.00 H +ATOM 2795 N SER A 184 -4.094 -10.625 -3.767 1.00 0.00 N +ATOM 2796 CA SER A 184 -4.408 -11.020 -2.405 1.00 0.00 C +ATOM 2797 C SER A 184 -3.887 -12.434 -2.136 1.00 0.00 C +ATOM 2798 O SER A 184 -4.371 -13.400 -2.723 1.00 0.00 O +ATOM 2799 CB SER A 184 -5.915 -10.952 -2.145 1.00 0.00 C +ATOM 2800 OG SER A 184 -6.315 -11.822 -1.089 1.00 0.00 O +ATOM 2801 H SER A 184 -4.536 -11.172 -4.478 1.00 0.00 H +ATOM 2802 HA SER A 184 -3.898 -10.297 -1.769 1.00 0.00 H +ATOM 2803 HB2 SER A 184 -6.194 -9.928 -1.897 1.00 0.00 H +ATOM 2804 HB3 SER A 184 -6.452 -11.217 -3.056 1.00 0.00 H +ATOM 2805 HG SER A 184 -7.297 -11.998 -1.145 1.00 0.00 H +ATOM 2806 N TYR A 185 -2.907 -12.509 -1.248 1.00 0.00 N +ATOM 2807 CA TYR A 185 -2.314 -13.788 -0.894 1.00 0.00 C +ATOM 2808 C TYR A 185 -3.393 -14.852 -0.680 1.00 0.00 C +ATOM 2809 O TYR A 185 -3.163 -16.034 -0.931 1.00 0.00 O +ATOM 2810 CB TYR A 185 -1.573 -13.559 0.425 1.00 0.00 C +ATOM 2811 CG TYR A 185 -0.990 -14.833 1.040 1.00 0.00 C +ATOM 2812 CD1 TYR A 185 0.067 -15.474 0.426 1.00 0.00 C +ATOM 2813 CD2 TYR A 185 -1.520 -15.340 2.209 1.00 0.00 C +ATOM 2814 CE1 TYR A 185 0.616 -16.673 1.005 1.00 0.00 C +ATOM 2815 CE2 TYR A 185 -0.971 -16.539 2.788 1.00 0.00 C +ATOM 2816 CZ TYR A 185 0.070 -17.146 2.158 1.00 0.00 C +ATOM 2817 OH TYR A 185 0.588 -18.278 2.704 1.00 0.00 O +ATOM 2818 H TYR A 185 -2.518 -11.718 -0.774 1.00 0.00 H +ATOM 2819 HA TYR A 185 -1.667 -14.097 -1.714 1.00 0.00 H +ATOM 2820 HB2 TYR A 185 -0.766 -12.846 0.257 1.00 0.00 H +ATOM 2821 HB3 TYR A 185 -2.257 -13.103 1.140 1.00 0.00 H +ATOM 2822 HD1 TYR A 185 0.486 -15.073 -0.497 1.00 0.00 H +ATOM 2823 HD2 TYR A 185 -2.354 -14.833 2.694 1.00 0.00 H +ATOM 2824 HE1 TYR A 185 1.450 -17.189 0.531 1.00 0.00 H +ATOM 2825 HE2 TYR A 185 -1.380 -16.950 3.711 1.00 0.00 H +ATOM 2826 HH TYR A 185 0.426 -19.056 2.098 1.00 0.00 H +ATOM 2827 N VAL A 186 -4.548 -14.393 -0.219 1.00 0.00 N +ATOM 2828 CA VAL A 186 -5.663 -15.290 0.031 1.00 0.00 C +ATOM 2829 C VAL A 186 -6.244 -15.760 -1.305 1.00 0.00 C +ATOM 2830 O VAL A 186 -6.623 -16.921 -1.447 1.00 0.00 O +ATOM 2831 CB VAL A 186 -6.698 -14.603 0.924 1.00 0.00 C +ATOM 2832 CG1 VAL A 186 -7.851 -15.552 1.257 1.00 0.00 C +ATOM 2833 CG2 VAL A 186 -6.048 -14.062 2.199 1.00 0.00 C +ATOM 2834 H VAL A 186 -4.727 -13.430 -0.018 1.00 0.00 H +ATOM 2835 HA VAL A 186 -5.275 -16.156 0.568 1.00 0.00 H +ATOM 2836 HB VAL A 186 -7.108 -13.757 0.372 1.00 0.00 H +ATOM 2837 HG11 VAL A 186 -7.984 -16.262 0.441 1.00 0.00 H +ATOM 2838 HG12 VAL A 186 -7.624 -16.092 2.175 1.00 0.00 H +ATOM 2839 HG13 VAL A 186 -8.767 -14.976 1.390 1.00 0.00 H +ATOM 2840 HG21 VAL A 186 -5.255 -14.738 2.518 1.00 0.00 H +ATOM 2841 HG22 VAL A 186 -5.626 -13.076 2.001 1.00 0.00 H +ATOM 2842 HG23 VAL A 186 -6.799 -13.985 2.985 1.00 0.00 H +ATOM 2843 N ARG A 187 -6.295 -14.832 -2.250 1.00 0.00 N +ATOM 2844 CA ARG A 187 -6.824 -15.137 -3.569 1.00 0.00 C +ATOM 2845 C ARG A 187 -6.100 -16.346 -4.165 1.00 0.00 C +ATOM 2846 O ARG A 187 -6.736 -17.317 -4.570 1.00 0.00 O +ATOM 2847 CB ARG A 187 -6.670 -13.942 -4.513 1.00 0.00 C +ATOM 2848 CG ARG A 187 -7.437 -14.171 -5.816 1.00 0.00 C +ATOM 2849 CD ARG A 187 -8.946 -14.059 -5.591 1.00 0.00 C +ATOM 2850 NE ARG A 187 -9.667 -14.306 -6.860 1.00 0.00 N +ATOM 2851 CZ ARG A 187 -9.896 -13.361 -7.796 1.00 0.00 C +ATOM 2852 NH1 ARG A 187 -9.462 -12.096 -7.614 1.00 0.00 N +ATOM 2853 NH2 ARG A 187 -10.552 -13.693 -8.893 1.00 0.00 N +ATOM 2854 H ARG A 187 -5.985 -13.890 -2.126 1.00 0.00 H +ATOM 2855 HA ARG A 187 -7.879 -15.354 -3.403 1.00 0.00 H +ATOM 2856 HB2 ARG A 187 -7.036 -13.039 -4.025 1.00 0.00 H +ATOM 2857 HB3 ARG A 187 -5.614 -13.781 -4.731 1.00 0.00 H +ATOM 2858 HG2 ARG A 187 -7.122 -13.441 -6.561 1.00 0.00 H +ATOM 2859 HG3 ARG A 187 -7.198 -15.157 -6.215 1.00 0.00 H +ATOM 2860 HD2 ARG A 187 -9.264 -14.778 -4.836 1.00 0.00 H +ATOM 2861 HD3 ARG A 187 -9.193 -13.068 -5.210 1.00 0.00 H +ATOM 2862 HE ARG A 187 -10.006 -15.231 -7.034 1.00 0.00 H +ATOM 2863 HH22 ARG A 187 -10.762 -13.055 -9.634 1.00 0.00 H +ATOM 2864 N ASN A 188 -4.779 -16.246 -4.199 1.00 0.00 N +ATOM 2865 CA ASN A 188 -3.961 -17.319 -4.739 1.00 0.00 C +ATOM 2866 C ASN A 188 -4.167 -18.583 -3.901 1.00 0.00 C +ATOM 2867 O ASN A 188 -4.322 -19.675 -4.445 1.00 0.00 O +ATOM 2868 CB ASN A 188 -2.476 -16.958 -4.691 1.00 0.00 C +ATOM 2869 CG ASN A 188 -2.156 -16.113 -3.456 1.00 0.00 C +ATOM 2870 OD1 ASN A 188 -2.813 -15.129 -3.159 1.00 0.00 O +ATOM 2871 ND2 ASN A 188 -1.114 -16.550 -2.756 1.00 0.00 N +ATOM 2872 H ASN A 188 -4.269 -15.452 -3.868 1.00 0.00 H +ATOM 2873 HA ASN A 188 -4.295 -17.443 -5.769 1.00 0.00 H +ATOM 2874 HB2 ASN A 188 -1.876 -17.868 -4.678 1.00 0.00 H +ATOM 2875 HB3 ASN A 188 -2.202 -16.409 -5.592 1.00 0.00 H +ATOM 2876 HD21 ASN A 188 -0.617 -17.365 -3.056 1.00 0.00 H +ATOM 2877 HD22 ASN A 188 -0.826 -16.065 -1.931 1.00 0.00 H +ATOM 2878 N LEU A 189 -4.163 -18.391 -2.589 1.00 0.00 N +ATOM 2879 CA LEU A 189 -4.347 -19.502 -1.671 1.00 0.00 C +ATOM 2880 C LEU A 189 -5.635 -20.247 -2.029 1.00 0.00 C +ATOM 2881 O LEU A 189 -5.657 -21.476 -2.059 1.00 0.00 O +ATOM 2882 CB LEU A 189 -4.304 -19.011 -0.222 1.00 0.00 C +ATOM 2883 CG LEU A 189 -4.750 -20.018 0.841 1.00 0.00 C +ATOM 2884 CD1 LEU A 189 -3.682 -21.090 1.064 1.00 0.00 C +ATOM 2885 CD2 LEU A 189 -5.131 -19.309 2.142 1.00 0.00 C +ATOM 2886 H LEU A 189 -4.036 -17.500 -2.155 1.00 0.00 H +ATOM 2887 HA LEU A 189 -3.506 -20.181 -1.806 1.00 0.00 H +ATOM 2888 HB2 LEU A 189 -3.284 -18.701 0.006 1.00 0.00 H +ATOM 2889 HB3 LEU A 189 -4.932 -18.125 -0.141 1.00 0.00 H +ATOM 2890 HG LEU A 189 -5.644 -20.525 0.477 1.00 0.00 H +ATOM 2891 HD11 LEU A 189 -3.002 -21.108 0.212 1.00 0.00 H +ATOM 2892 HD12 LEU A 189 -3.122 -20.861 1.971 1.00 0.00 H +ATOM 2893 HD13 LEU A 189 -4.160 -22.064 1.167 1.00 0.00 H +ATOM 2894 HD21 LEU A 189 -5.059 -18.230 2.002 1.00 0.00 H +ATOM 2895 HD22 LEU A 189 -6.154 -19.572 2.413 1.00 0.00 H +ATOM 2896 HD23 LEU A 189 -4.453 -19.619 2.937 1.00 0.00 H +ATOM 2897 N VAL A 190 -6.675 -19.471 -2.294 1.00 0.00 N +ATOM 2898 CA VAL A 190 -7.963 -20.041 -2.650 1.00 0.00 C +ATOM 2899 C VAL A 190 -7.801 -20.922 -3.890 1.00 0.00 C +ATOM 2900 O VAL A 190 -8.307 -22.043 -3.931 1.00 0.00 O +ATOM 2901 CB VAL A 190 -8.995 -18.928 -2.838 1.00 0.00 C +ATOM 2902 CG1 VAL A 190 -10.314 -19.487 -3.377 1.00 0.00 C +ATOM 2903 CG2 VAL A 190 -9.218 -18.160 -1.534 1.00 0.00 C +ATOM 2904 H VAL A 190 -6.649 -18.471 -2.268 1.00 0.00 H +ATOM 2905 HA VAL A 190 -8.288 -20.665 -1.817 1.00 0.00 H +ATOM 2906 HB VAL A 190 -8.602 -18.228 -3.576 1.00 0.00 H +ATOM 2907 HG11 VAL A 190 -10.491 -20.474 -2.950 1.00 0.00 H +ATOM 2908 HG12 VAL A 190 -11.131 -18.820 -3.102 1.00 0.00 H +ATOM 2909 HG13 VAL A 190 -10.258 -19.565 -4.463 1.00 0.00 H +ATOM 2910 HG21 VAL A 190 -8.355 -18.294 -0.881 1.00 0.00 H +ATOM 2911 HG22 VAL A 190 -9.346 -17.100 -1.753 1.00 0.00 H +ATOM 2912 HG23 VAL A 190 -10.111 -18.538 -1.037 1.00 0.00 H +ATOM 2913 N ARG A 191 -7.093 -20.382 -4.871 1.00 0.00 N +ATOM 2914 CA ARG A 191 -6.858 -21.105 -6.110 1.00 0.00 C +ATOM 2915 C ARG A 191 -6.120 -22.415 -5.827 1.00 0.00 C +ATOM 2916 O ARG A 191 -6.544 -23.479 -6.275 1.00 0.00 O +ATOM 2917 CB ARG A 191 -6.036 -20.265 -7.090 1.00 0.00 C +ATOM 2918 CG ARG A 191 -6.942 -19.558 -8.100 1.00 0.00 C +ATOM 2919 CD ARG A 191 -6.141 -18.581 -8.964 1.00 0.00 C +ATOM 2920 NE ARG A 191 -6.676 -18.572 -10.344 1.00 0.00 N +ATOM 2921 CZ ARG A 191 -6.451 -19.548 -11.249 1.00 0.00 C +ATOM 2922 NH1 ARG A 191 -5.698 -20.621 -10.927 1.00 0.00 N +ATOM 2923 NH2 ARG A 191 -6.978 -19.436 -12.455 1.00 0.00 N +ATOM 2924 H ARG A 191 -6.685 -19.470 -4.830 1.00 0.00 H +ATOM 2925 HA ARG A 191 -7.852 -21.294 -6.515 1.00 0.00 H +ATOM 2926 HB2 ARG A 191 -5.452 -19.527 -6.540 1.00 0.00 H +ATOM 2927 HB3 ARG A 191 -5.327 -20.904 -7.616 1.00 0.00 H +ATOM 2928 HG2 ARG A 191 -7.429 -20.297 -8.736 1.00 0.00 H +ATOM 2929 HG3 ARG A 191 -7.730 -19.021 -7.573 1.00 0.00 H +ATOM 2930 HD2 ARG A 191 -6.193 -17.579 -8.538 1.00 0.00 H +ATOM 2931 HD3 ARG A 191 -5.090 -18.869 -8.974 1.00 0.00 H +ATOM 2932 HE ARG A 191 -7.239 -17.794 -10.623 1.00 0.00 H +ATOM 2933 HH22 ARG A 191 -6.860 -20.113 -13.181 1.00 0.00 H +ATOM 2934 N ASN A 192 -5.028 -22.294 -5.086 1.00 0.00 N +ATOM 2935 CA ASN A 192 -4.227 -23.456 -4.739 1.00 0.00 C +ATOM 2936 C ASN A 192 -5.117 -24.500 -4.062 1.00 0.00 C +ATOM 2937 O ASN A 192 -5.092 -25.674 -4.428 1.00 0.00 O +ATOM 2938 CB ASN A 192 -3.110 -23.083 -3.762 1.00 0.00 C +ATOM 2939 CG ASN A 192 -1.909 -22.491 -4.503 1.00 0.00 C +ATOM 2940 OD1 ASN A 192 -1.957 -22.206 -5.688 1.00 0.00 O +ATOM 2941 ND2 ASN A 192 -0.833 -22.323 -3.741 1.00 0.00 N +ATOM 2942 H ASN A 192 -4.690 -21.425 -4.726 1.00 0.00 H +ATOM 2943 HA ASN A 192 -3.812 -23.810 -5.682 1.00 0.00 H +ATOM 2944 HB2 ASN A 192 -3.484 -22.362 -3.034 1.00 0.00 H +ATOM 2945 HB3 ASN A 192 -2.799 -23.966 -3.205 1.00 0.00 H +ATOM 2946 HD21 ASN A 192 -0.860 -22.577 -2.774 1.00 0.00 H +ATOM 2947 HD22 ASN A 192 0.004 -21.941 -4.134 1.00 0.00 H +ATOM 2948 N GLU A 193 -5.884 -24.035 -3.086 1.00 0.00 N +ATOM 2949 CA GLU A 193 -6.780 -24.914 -2.355 1.00 0.00 C +ATOM 2950 C GLU A 193 -7.971 -25.306 -3.232 1.00 0.00 C +ATOM 2951 O GLU A 193 -8.287 -24.617 -4.201 1.00 0.00 O +ATOM 2952 CB GLU A 193 -7.250 -24.259 -1.055 1.00 0.00 C +ATOM 2953 CG GLU A 193 -7.191 -25.249 0.110 1.00 0.00 C +ATOM 2954 CD GLU A 193 -8.594 -25.567 0.631 1.00 0.00 C +ATOM 2955 OE1 GLU A 193 -9.100 -24.675 1.414 1.00 0.00 O +ATOM 2956 OE2 GLU A 193 -9.157 -26.619 0.295 1.00 0.00 O +ATOM 2957 H GLU A 193 -5.898 -23.078 -2.795 1.00 0.00 H +ATOM 2958 HA GLU A 193 -6.189 -25.798 -2.117 1.00 0.00 H +ATOM 2959 HB2 GLU A 193 -6.625 -23.394 -0.833 1.00 0.00 H +ATOM 2960 HB3 GLU A 193 -8.270 -23.893 -1.175 1.00 0.00 H +ATOM 2961 HG2 GLU A 193 -6.703 -26.169 -0.214 1.00 0.00 H +ATOM 2962 HG3 GLU A 193 -6.586 -24.834 0.915 1.00 0.00 H +ATOM 2963 N MET A 194 -8.599 -26.413 -2.862 1.00 0.00 N +ATOM 2964 CA MET A 194 -9.747 -26.905 -3.603 1.00 0.00 C +ATOM 2965 C MET A 194 -9.326 -27.450 -4.969 1.00 0.00 C +ATOM 2966 O MET A 194 -8.489 -26.856 -5.647 1.00 0.00 O +ATOM 2967 CB MET A 194 -10.756 -25.771 -3.794 1.00 0.00 C +ATOM 2968 CG MET A 194 -12.164 -26.324 -4.028 1.00 0.00 C +ATOM 2969 SD MET A 194 -12.534 -26.332 -5.774 1.00 0.00 S +ATOM 2970 CE MET A 194 -14.073 -27.235 -5.761 1.00 0.00 C +ATOM 2971 H MET A 194 -8.335 -26.968 -2.073 1.00 0.00 H +ATOM 2972 HA MET A 194 -10.164 -27.709 -2.996 1.00 0.00 H +ATOM 2973 HB2 MET A 194 -10.756 -25.127 -2.914 1.00 0.00 H +ATOM 2974 HB3 MET A 194 -10.458 -25.154 -4.641 1.00 0.00 H +ATOM 2975 HG2 MET A 194 -12.238 -27.335 -3.627 1.00 0.00 H +ATOM 2976 HG3 MET A 194 -12.895 -25.715 -3.496 1.00 0.00 H +ATOM 2977 HE1 MET A 194 -14.542 -27.140 -4.781 1.00 0.00 H +ATOM 2978 HE2 MET A 194 -14.739 -26.830 -6.523 1.00 0.00 H +ATOM 2979 HE3 MET A 194 -13.879 -28.287 -5.970 1.00 0.00 H +ATOM 2980 N ASP A 195 -9.925 -28.574 -5.332 1.00 0.00 N +ATOM 2981 CA ASP A 195 -9.623 -29.206 -6.606 1.00 0.00 C +ATOM 2982 C ASP A 195 -10.584 -28.678 -7.673 1.00 0.00 C +ATOM 2983 O ASP A 195 -10.331 -28.824 -8.868 1.00 0.00 O +ATOM 2984 CB ASP A 195 -9.795 -30.724 -6.523 1.00 0.00 C +ATOM 2985 CG ASP A 195 -8.804 -31.438 -5.602 1.00 0.00 C +ATOM 2986 OD1 ASP A 195 -7.571 -31.379 -5.977 1.00 0.00 O +ATOM 2987 OD2 ASP A 195 -9.190 -32.021 -4.577 1.00 0.00 O +ATOM 2988 H ASP A 195 -10.605 -29.051 -4.775 1.00 0.00 H +ATOM 2989 HA ASP A 195 -8.585 -28.947 -6.814 1.00 0.00 H +ATOM 2990 HB2 ASP A 195 -10.807 -30.941 -6.181 1.00 0.00 H +ATOM 2991 HB3 ASP A 195 -9.702 -31.140 -7.525 1.00 0.00 H +TER 2992 ASP A 195 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_BID_1DDBA_1DDBA/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_BID_1DDBA_1DDBA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a722696b1fb26c997d362cca9f9d312435fb5266 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_BID_1DDBA_1DDBA/state_b.pdb @@ -0,0 +1,2995 @@ +MODEL 1 +ATOM 1 N MET A 1 37.333 3.085 -17.325 1.00 0.00 N +ATOM 2 CA MET A 1 36.101 3.368 -16.610 1.00 0.00 C +ATOM 3 C MET A 1 34.889 3.247 -17.537 1.00 0.00 C +ATOM 4 O MET A 1 34.902 3.765 -18.652 1.00 0.00 O +ATOM 5 CB MET A 1 36.160 4.782 -16.029 1.00 0.00 C +ATOM 6 CG MET A 1 36.274 5.827 -17.141 1.00 0.00 C +ATOM 7 SD MET A 1 36.868 7.371 -16.470 1.00 0.00 S +ATOM 8 CE MET A 1 35.859 8.519 -17.391 1.00 0.00 C +ATOM 9 H MET A 1 37.220 2.871 -18.295 1.00 0.00 H +ATOM 10 HA MET A 1 36.040 2.617 -15.822 1.00 0.00 H +ATOM 11 HB2 MET A 1 35.266 4.973 -15.436 1.00 0.00 H +ATOM 12 HB3 MET A 1 37.013 4.867 -15.357 1.00 0.00 H +ATOM 13 HG2 MET A 1 36.953 5.473 -17.916 1.00 0.00 H +ATOM 14 HG3 MET A 1 35.302 5.976 -17.612 1.00 0.00 H +ATOM 15 HE1 MET A 1 34.903 8.052 -17.630 1.00 0.00 H +ATOM 16 HE2 MET A 1 35.687 9.413 -16.793 1.00 0.00 H +ATOM 17 HE3 MET A 1 36.370 8.792 -18.315 1.00 0.00 H +ATOM 18 N ASP A 2 33.871 2.559 -17.041 1.00 0.00 N +ATOM 19 CA ASP A 2 32.654 2.364 -17.810 1.00 0.00 C +ATOM 20 C ASP A 2 31.782 1.313 -17.119 1.00 0.00 C +ATOM 21 O ASP A 2 32.247 0.215 -16.820 1.00 0.00 O +ATOM 22 CB ASP A 2 32.969 1.863 -19.221 1.00 0.00 C +ATOM 23 CG ASP A 2 31.829 1.111 -19.910 1.00 0.00 C +ATOM 24 OD1 ASP A 2 30.890 1.722 -20.441 1.00 0.00 O +ATOM 25 OD2 ASP A 2 31.932 -0.175 -19.888 1.00 0.00 O +ATOM 26 H ASP A 2 33.869 2.141 -16.132 1.00 0.00 H +ATOM 27 HA ASP A 2 32.178 3.343 -17.846 1.00 0.00 H +ATOM 28 HB2 ASP A 2 33.248 2.716 -19.840 1.00 0.00 H +ATOM 29 HB3 ASP A 2 33.839 1.208 -19.172 1.00 0.00 H +ATOM 30 N SER A 3 30.533 1.688 -16.886 1.00 0.00 N +ATOM 31 CA SER A 3 29.592 0.792 -16.236 1.00 0.00 C +ATOM 32 C SER A 3 28.261 1.511 -16.002 1.00 0.00 C +ATOM 33 O SER A 3 28.233 2.606 -15.444 1.00 0.00 O +ATOM 34 CB SER A 3 30.153 0.271 -14.912 1.00 0.00 C +ATOM 35 OG SER A 3 30.563 -1.091 -15.005 1.00 0.00 O +ATOM 36 H SER A 3 30.163 2.584 -17.132 1.00 0.00 H +ATOM 37 HA SER A 3 29.461 -0.040 -16.927 1.00 0.00 H +ATOM 38 HB2 SER A 3 31.001 0.885 -14.610 1.00 0.00 H +ATOM 39 HB3 SER A 3 29.396 0.369 -14.133 1.00 0.00 H +ATOM 40 HG SER A 3 29.923 -1.676 -14.507 1.00 0.00 H +ATOM 41 N GLU A 4 27.191 0.864 -16.441 1.00 0.00 N +ATOM 42 CA GLU A 4 25.861 1.428 -16.287 1.00 0.00 C +ATOM 43 C GLU A 4 24.823 0.531 -16.965 1.00 0.00 C +ATOM 44 O GLU A 4 24.899 0.288 -18.168 1.00 0.00 O +ATOM 45 CB GLU A 4 25.801 2.852 -16.842 1.00 0.00 C +ATOM 46 CG GLU A 4 26.596 2.967 -18.144 1.00 0.00 C +ATOM 47 CD GLU A 4 26.398 4.341 -18.788 1.00 0.00 C +ATOM 48 OE1 GLU A 4 25.419 5.036 -18.477 1.00 0.00 O +ATOM 49 OE2 GLU A 4 27.306 4.681 -19.639 1.00 0.00 O +ATOM 50 H GLU A 4 27.223 -0.027 -16.894 1.00 0.00 H +ATOM 51 HA GLU A 4 25.681 1.455 -15.212 1.00 0.00 H +ATOM 52 HB2 GLU A 4 24.763 3.134 -17.019 1.00 0.00 H +ATOM 53 HB3 GLU A 4 26.200 3.550 -16.106 1.00 0.00 H +ATOM 54 HG2 GLU A 4 27.655 2.805 -17.944 1.00 0.00 H +ATOM 55 HG3 GLU A 4 26.279 2.188 -18.838 1.00 0.00 H +ATOM 56 N VAL A 5 23.877 0.064 -16.163 1.00 0.00 N +ATOM 57 CA VAL A 5 22.825 -0.800 -16.671 1.00 0.00 C +ATOM 58 C VAL A 5 21.692 -0.873 -15.645 1.00 0.00 C +ATOM 59 O VAL A 5 21.936 -0.822 -14.441 1.00 0.00 O +ATOM 60 CB VAL A 5 23.401 -2.173 -17.025 1.00 0.00 C +ATOM 61 CG1 VAL A 5 23.890 -2.901 -15.772 1.00 0.00 C +ATOM 62 CG2 VAL A 5 22.377 -3.017 -17.785 1.00 0.00 C +ATOM 63 H VAL A 5 23.822 0.267 -15.186 1.00 0.00 H +ATOM 64 HA VAL A 5 22.442 -0.349 -17.586 1.00 0.00 H +ATOM 65 HB VAL A 5 24.259 -2.018 -17.679 1.00 0.00 H +ATOM 66 HG11 VAL A 5 23.161 -2.776 -14.971 1.00 0.00 H +ATOM 67 HG12 VAL A 5 24.010 -3.962 -15.992 1.00 0.00 H +ATOM 68 HG13 VAL A 5 24.848 -2.485 -15.460 1.00 0.00 H +ATOM 69 HG21 VAL A 5 21.387 -2.862 -17.356 1.00 0.00 H +ATOM 70 HG22 VAL A 5 22.368 -2.720 -18.834 1.00 0.00 H +ATOM 71 HG23 VAL A 5 22.645 -4.071 -17.708 1.00 0.00 H +ATOM 72 N SER A 6 20.477 -0.991 -16.161 1.00 0.00 N +ATOM 73 CA SER A 6 19.306 -1.072 -15.305 1.00 0.00 C +ATOM 74 C SER A 6 18.036 -0.870 -16.135 1.00 0.00 C +ATOM 75 O SER A 6 17.931 0.095 -16.890 1.00 0.00 O +ATOM 76 CB SER A 6 19.374 -0.038 -14.179 1.00 0.00 C +ATOM 77 OG SER A 6 19.720 -0.630 -12.930 1.00 0.00 O +ATOM 78 H SER A 6 20.287 -1.031 -17.142 1.00 0.00 H +ATOM 79 HA SER A 6 19.329 -2.074 -14.878 1.00 0.00 H +ATOM 80 HB2 SER A 6 20.108 0.727 -14.433 1.00 0.00 H +ATOM 81 HB3 SER A 6 18.410 0.463 -14.088 1.00 0.00 H +ATOM 82 HG SER A 6 20.106 0.061 -12.319 1.00 0.00 H +ATOM 83 N ASN A 7 17.104 -1.797 -15.966 1.00 0.00 N +ATOM 84 CA ASN A 7 15.846 -1.733 -16.691 1.00 0.00 C +ATOM 85 C ASN A 7 15.011 -2.972 -16.363 1.00 0.00 C +ATOM 86 O ASN A 7 15.542 -3.978 -15.896 1.00 0.00 O +ATOM 87 CB ASN A 7 16.081 -1.707 -18.202 1.00 0.00 C +ATOM 88 CG ASN A 7 14.932 -1.001 -18.924 1.00 0.00 C +ATOM 89 OD1 ASN A 7 14.178 -0.236 -18.346 1.00 0.00 O +ATOM 90 ND2 ASN A 7 14.840 -1.300 -20.217 1.00 0.00 N +ATOM 91 H ASN A 7 17.198 -2.579 -15.350 1.00 0.00 H +ATOM 92 HA ASN A 7 15.371 -0.810 -16.358 1.00 0.00 H +ATOM 93 HB2 ASN A 7 17.020 -1.196 -18.419 1.00 0.00 H +ATOM 94 HB3 ASN A 7 16.179 -2.726 -18.576 1.00 0.00 H +ATOM 95 HD21 ASN A 7 15.491 -1.936 -20.630 1.00 0.00 H +ATOM 96 HD22 ASN A 7 14.120 -0.888 -20.775 1.00 0.00 H +ATOM 97 N GLY A 8 13.716 -2.859 -16.622 1.00 0.00 N +ATOM 98 CA GLY A 8 12.802 -3.958 -16.361 1.00 0.00 C +ATOM 99 C GLY A 8 11.462 -3.442 -15.832 1.00 0.00 C +ATOM 100 O GLY A 8 11.390 -2.918 -14.721 1.00 0.00 O +ATOM 101 H GLY A 8 13.292 -2.037 -17.003 1.00 0.00 H +ATOM 102 HA2 GLY A 8 12.641 -4.527 -17.277 1.00 0.00 H +ATOM 103 HA3 GLY A 8 13.246 -4.640 -15.636 1.00 0.00 H +ATOM 104 N SER A 9 10.435 -3.609 -16.651 1.00 0.00 N +ATOM 105 CA SER A 9 9.102 -3.167 -16.279 1.00 0.00 C +ATOM 106 C SER A 9 8.052 -4.085 -16.909 1.00 0.00 C +ATOM 107 O SER A 9 8.341 -4.798 -17.868 1.00 0.00 O +ATOM 108 CB SER A 9 8.863 -1.717 -16.705 1.00 0.00 C +ATOM 109 OG SER A 9 7.483 -1.365 -16.651 1.00 0.00 O +ATOM 110 H SER A 9 10.502 -4.036 -17.553 1.00 0.00 H +ATOM 111 HA SER A 9 9.068 -3.236 -15.192 1.00 0.00 H +ATOM 112 HB2 SER A 9 9.433 -1.051 -16.058 1.00 0.00 H +ATOM 113 HB3 SER A 9 9.235 -1.571 -17.719 1.00 0.00 H +ATOM 114 HG SER A 9 7.123 -1.532 -15.734 1.00 0.00 H +ATOM 115 N GLY A 10 6.854 -4.036 -16.344 1.00 0.00 N +ATOM 116 CA GLY A 10 5.760 -4.854 -16.838 1.00 0.00 C +ATOM 117 C GLY A 10 5.303 -5.858 -15.777 1.00 0.00 C +ATOM 118 O GLY A 10 5.764 -5.815 -14.637 1.00 0.00 O +ATOM 119 H GLY A 10 6.627 -3.453 -15.564 1.00 0.00 H +ATOM 120 HA2 GLY A 10 4.924 -4.216 -17.123 1.00 0.00 H +ATOM 121 HA3 GLY A 10 6.075 -5.386 -17.735 1.00 0.00 H +ATOM 122 N LEU A 11 4.402 -6.738 -16.189 1.00 0.00 N +ATOM 123 CA LEU A 11 3.878 -7.750 -15.289 1.00 0.00 C +ATOM 124 C LEU A 11 3.061 -7.073 -14.186 1.00 0.00 C +ATOM 125 O LEU A 11 3.484 -6.062 -13.628 1.00 0.00 O +ATOM 126 CB LEU A 11 5.010 -8.635 -14.760 1.00 0.00 C +ATOM 127 CG LEU A 11 5.401 -9.821 -15.643 1.00 0.00 C +ATOM 128 CD1 LEU A 11 4.233 -10.797 -15.800 1.00 0.00 C +ATOM 129 CD2 LEU A 11 5.936 -9.346 -16.995 1.00 0.00 C +ATOM 130 H LEU A 11 4.032 -6.766 -17.118 1.00 0.00 H +ATOM 131 HA LEU A 11 3.213 -8.390 -15.868 1.00 0.00 H +ATOM 132 HB2 LEU A 11 5.892 -8.012 -14.611 1.00 0.00 H +ATOM 133 HB3 LEU A 11 4.719 -9.016 -13.781 1.00 0.00 H +ATOM 134 HG LEU A 11 6.209 -10.362 -15.150 1.00 0.00 H +ATOM 135 HD11 LEU A 11 3.474 -10.579 -15.049 1.00 0.00 H +ATOM 136 HD12 LEU A 11 3.802 -10.690 -16.795 1.00 0.00 H +ATOM 137 HD13 LEU A 11 4.592 -11.818 -15.667 1.00 0.00 H +ATOM 138 HD21 LEU A 11 6.027 -8.260 -16.989 1.00 0.00 H +ATOM 139 HD22 LEU A 11 6.915 -9.791 -17.175 1.00 0.00 H +ATOM 140 HD23 LEU A 11 5.249 -9.649 -17.785 1.00 0.00 H +ATOM 141 N GLY A 12 1.906 -7.658 -13.906 1.00 0.00 N +ATOM 142 CA GLY A 12 1.026 -7.123 -12.881 1.00 0.00 C +ATOM 143 C GLY A 12 -0.294 -6.644 -13.487 1.00 0.00 C +ATOM 144 O GLY A 12 -0.753 -7.185 -14.492 1.00 0.00 O +ATOM 145 H GLY A 12 1.570 -8.480 -14.365 1.00 0.00 H +ATOM 146 HA2 GLY A 12 0.829 -7.889 -12.130 1.00 0.00 H +ATOM 147 HA3 GLY A 12 1.518 -6.295 -12.370 1.00 0.00 H +ATOM 148 N ALA A 13 -0.868 -5.633 -12.851 1.00 0.00 N +ATOM 149 CA ALA A 13 -2.127 -5.075 -13.315 1.00 0.00 C +ATOM 150 C ALA A 13 -3.264 -6.040 -12.974 1.00 0.00 C +ATOM 151 O ALA A 13 -3.189 -7.228 -13.284 1.00 0.00 O +ATOM 152 CB ALA A 13 -2.036 -4.787 -14.815 1.00 0.00 C +ATOM 153 H ALA A 13 -0.489 -5.198 -12.034 1.00 0.00 H +ATOM 154 HA ALA A 13 -2.288 -4.135 -12.786 1.00 0.00 H +ATOM 155 HB1 ALA A 13 -1.018 -4.492 -15.067 1.00 0.00 H +ATOM 156 HB2 ALA A 13 -2.304 -5.684 -15.373 1.00 0.00 H +ATOM 157 HB3 ALA A 13 -2.722 -3.980 -15.072 1.00 0.00 H +ATOM 158 N LYS A 14 -4.292 -5.493 -12.341 1.00 0.00 N +ATOM 159 CA LYS A 14 -5.443 -6.291 -11.955 1.00 0.00 C +ATOM 160 C LYS A 14 -6.564 -5.364 -11.480 1.00 0.00 C +ATOM 161 O LYS A 14 -6.301 -4.323 -10.881 1.00 0.00 O +ATOM 162 CB LYS A 14 -5.042 -7.349 -10.925 1.00 0.00 C +ATOM 163 CG LYS A 14 -5.341 -8.758 -11.440 1.00 0.00 C +ATOM 164 CD LYS A 14 -4.476 -9.798 -10.726 1.00 0.00 C +ATOM 165 CE LYS A 14 -5.133 -11.179 -10.767 1.00 0.00 C +ATOM 166 NZ LYS A 14 -4.136 -12.217 -11.115 1.00 0.00 N +ATOM 167 H LYS A 14 -4.345 -4.526 -12.093 1.00 0.00 H +ATOM 168 HA LYS A 14 -5.787 -6.821 -12.844 1.00 0.00 H +ATOM 169 HB2 LYS A 14 -3.979 -7.258 -10.700 1.00 0.00 H +ATOM 170 HB3 LYS A 14 -5.580 -7.176 -9.993 1.00 0.00 H +ATOM 171 HG2 LYS A 14 -6.395 -8.989 -11.287 1.00 0.00 H +ATOM 172 HG3 LYS A 14 -5.158 -8.803 -12.514 1.00 0.00 H +ATOM 173 HD2 LYS A 14 -3.493 -9.844 -11.197 1.00 0.00 H +ATOM 174 HD3 LYS A 14 -4.319 -9.497 -9.690 1.00 0.00 H +ATOM 175 HE2 LYS A 14 -5.579 -11.405 -9.799 1.00 0.00 H +ATOM 176 HE3 LYS A 14 -5.940 -11.182 -11.500 1.00 0.00 H +ATOM 177 HZ1 LYS A 14 -4.250 -12.549 -12.066 1.00 0.00 H +ATOM 178 HZ2 LYS A 14 -3.186 -11.872 -11.036 1.00 0.00 H +ATOM 179 N HIS A 15 -7.791 -5.777 -11.765 1.00 0.00 N +ATOM 180 CA HIS A 15 -8.953 -4.997 -11.374 1.00 0.00 C +ATOM 181 C HIS A 15 -9.027 -4.916 -9.848 1.00 0.00 C +ATOM 182 O HIS A 15 -9.136 -3.828 -9.285 1.00 0.00 O +ATOM 183 CB HIS A 15 -10.226 -5.568 -12.001 1.00 0.00 C +ATOM 184 CG HIS A 15 -10.232 -5.544 -13.511 1.00 0.00 C +ATOM 185 ND1 HIS A 15 -10.419 -6.680 -14.278 1.00 0.00 N +ATOM 186 CD2 HIS A 15 -10.074 -4.510 -14.386 1.00 0.00 C +ATOM 187 CE1 HIS A 15 -10.372 -6.335 -15.556 1.00 0.00 C +ATOM 188 NE2 HIS A 15 -10.157 -4.989 -15.621 1.00 0.00 N +ATOM 189 H HIS A 15 -7.996 -6.626 -12.252 1.00 0.00 H +ATOM 190 HA HIS A 15 -8.805 -3.994 -11.776 1.00 0.00 H +ATOM 191 HB2 HIS A 15 -10.355 -6.597 -11.664 1.00 0.00 H +ATOM 192 HB3 HIS A 15 -11.084 -5.003 -11.635 1.00 0.00 H +ATOM 193 HD1 HIS A 15 -10.564 -7.606 -13.927 1.00 0.00 H +ATOM 194 HD2 HIS A 15 -9.906 -3.467 -14.117 1.00 0.00 H +ATOM 195 HE1 HIS A 15 -10.485 -7.007 -16.406 1.00 0.00 H +ATOM 196 N ILE A 16 -8.965 -6.083 -9.222 1.00 0.00 N +ATOM 197 CA ILE A 16 -9.025 -6.158 -7.773 1.00 0.00 C +ATOM 198 C ILE A 16 -7.819 -5.427 -7.179 1.00 0.00 C +ATOM 199 O ILE A 16 -7.909 -4.852 -6.095 1.00 0.00 O +ATOM 200 CB ILE A 16 -9.147 -7.613 -7.316 1.00 0.00 C +ATOM 201 CG1 ILE A 16 -9.717 -7.697 -5.899 1.00 0.00 C +ATOM 202 CG2 ILE A 16 -7.807 -8.341 -7.439 1.00 0.00 C +ATOM 203 CD1 ILE A 16 -11.119 -7.087 -5.834 1.00 0.00 C +ATOM 204 H ILE A 16 -8.877 -6.963 -9.688 1.00 0.00 H +ATOM 205 HA ILE A 16 -9.931 -5.643 -7.455 1.00 0.00 H +ATOM 206 HB ILE A 16 -9.851 -8.120 -7.977 1.00 0.00 H +ATOM 207 HG12 ILE A 16 -9.755 -8.738 -5.579 1.00 0.00 H +ATOM 208 HG13 ILE A 16 -9.057 -7.175 -5.206 1.00 0.00 H +ATOM 209 HG21 ILE A 16 -7.417 -8.216 -8.449 1.00 0.00 H +ATOM 210 HG22 ILE A 16 -7.100 -7.924 -6.722 1.00 0.00 H +ATOM 211 HG23 ILE A 16 -7.950 -9.402 -7.234 1.00 0.00 H +ATOM 212 HD11 ILE A 16 -11.436 -6.798 -6.837 1.00 0.00 H +ATOM 213 HD12 ILE A 16 -11.816 -7.820 -5.430 1.00 0.00 H +ATOM 214 HD13 ILE A 16 -11.103 -6.207 -5.191 1.00 0.00 H +ATOM 215 N THR A 17 -6.718 -5.473 -7.914 1.00 0.00 N +ATOM 216 CA THR A 17 -5.496 -4.822 -7.474 1.00 0.00 C +ATOM 217 C THR A 17 -5.764 -3.353 -7.141 1.00 0.00 C +ATOM 218 O THR A 17 -5.614 -2.935 -5.994 1.00 0.00 O +ATOM 219 CB THR A 17 -4.438 -5.015 -8.562 1.00 0.00 C +ATOM 220 OG1 THR A 17 -3.714 -6.168 -8.142 1.00 0.00 O +ATOM 221 CG2 THR A 17 -3.392 -3.899 -8.567 1.00 0.00 C +ATOM 222 H THR A 17 -6.653 -5.943 -8.795 1.00 0.00 H +ATOM 223 HA THR A 17 -5.163 -5.302 -6.554 1.00 0.00 H +ATOM 224 HB THR A 17 -4.903 -5.117 -9.543 1.00 0.00 H +ATOM 225 HG1 THR A 17 -3.267 -5.991 -7.265 1.00 0.00 H +ATOM 226 HG21 THR A 17 -3.820 -2.998 -8.128 1.00 0.00 H +ATOM 227 HG22 THR A 17 -2.525 -4.211 -7.984 1.00 0.00 H +ATOM 228 HG23 THR A 17 -3.085 -3.693 -9.593 1.00 0.00 H +ATOM 229 N ASP A 18 -6.156 -2.610 -8.166 1.00 0.00 N +ATOM 230 CA ASP A 18 -6.447 -1.196 -7.997 1.00 0.00 C +ATOM 231 C ASP A 18 -7.428 -1.016 -6.836 1.00 0.00 C +ATOM 232 O ASP A 18 -7.341 -0.042 -6.091 1.00 0.00 O +ATOM 233 CB ASP A 18 -7.091 -0.612 -9.255 1.00 0.00 C +ATOM 234 CG ASP A 18 -6.110 -0.021 -10.270 1.00 0.00 C +ATOM 235 OD1 ASP A 18 -5.143 0.662 -9.900 1.00 0.00 O +ATOM 236 OD2 ASP A 18 -6.373 -0.290 -11.504 1.00 0.00 O +ATOM 237 H ASP A 18 -6.276 -2.957 -9.096 1.00 0.00 H +ATOM 238 HA ASP A 18 -5.482 -0.726 -7.804 1.00 0.00 H +ATOM 239 HB2 ASP A 18 -7.670 -1.394 -9.746 1.00 0.00 H +ATOM 240 HB3 ASP A 18 -7.795 0.166 -8.958 1.00 0.00 H +ATOM 241 N LEU A 19 -8.338 -1.972 -6.720 1.00 0.00 N +ATOM 242 CA LEU A 19 -9.334 -1.932 -5.663 1.00 0.00 C +ATOM 243 C LEU A 19 -8.630 -1.852 -4.307 1.00 0.00 C +ATOM 244 O LEU A 19 -9.139 -1.232 -3.375 1.00 0.00 O +ATOM 245 CB LEU A 19 -10.296 -3.115 -5.788 1.00 0.00 C +ATOM 246 CG LEU A 19 -11.663 -2.806 -6.403 1.00 0.00 C +ATOM 247 CD1 LEU A 19 -12.265 -4.052 -7.054 1.00 0.00 C +ATOM 248 CD2 LEU A 19 -12.604 -2.190 -5.365 1.00 0.00 C +ATOM 249 H LEU A 19 -8.401 -2.761 -7.331 1.00 0.00 H +ATOM 250 HA LEU A 19 -9.921 -1.023 -5.802 1.00 0.00 H +ATOM 251 HB2 LEU A 19 -9.816 -3.886 -6.390 1.00 0.00 H +ATOM 252 HB3 LEU A 19 -10.453 -3.536 -4.795 1.00 0.00 H +ATOM 253 HG LEU A 19 -11.524 -2.066 -7.191 1.00 0.00 H +ATOM 254 HD11 LEU A 19 -12.226 -4.885 -6.352 1.00 0.00 H +ATOM 255 HD12 LEU A 19 -13.302 -3.855 -7.326 1.00 0.00 H +ATOM 256 HD13 LEU A 19 -11.697 -4.305 -7.950 1.00 0.00 H +ATOM 257 HD21 LEU A 19 -12.406 -2.631 -4.388 1.00 0.00 H +ATOM 258 HD22 LEU A 19 -12.438 -1.114 -5.318 1.00 0.00 H +ATOM 259 HD23 LEU A 19 -13.637 -2.386 -5.651 1.00 0.00 H +ATOM 260 N LEU A 20 -7.470 -2.490 -4.240 1.00 0.00 N +ATOM 261 CA LEU A 20 -6.691 -2.499 -3.014 1.00 0.00 C +ATOM 262 C LEU A 20 -6.221 -1.077 -2.702 1.00 0.00 C +ATOM 263 O LEU A 20 -6.271 -0.641 -1.553 1.00 0.00 O +ATOM 264 CB LEU A 20 -5.552 -3.516 -3.111 1.00 0.00 C +ATOM 265 CG LEU A 20 -4.516 -3.471 -1.986 1.00 0.00 C +ATOM 266 CD1 LEU A 20 -3.544 -2.305 -2.181 1.00 0.00 C +ATOM 267 CD2 LEU A 20 -5.195 -3.428 -0.616 1.00 0.00 C +ATOM 268 H LEU A 20 -7.064 -2.992 -5.003 1.00 0.00 H +ATOM 269 HA LEU A 20 -7.350 -2.829 -2.211 1.00 0.00 H +ATOM 270 HB2 LEU A 20 -5.985 -4.516 -3.139 1.00 0.00 H +ATOM 271 HB3 LEU A 20 -5.036 -3.365 -4.059 1.00 0.00 H +ATOM 272 HG LEU A 20 -3.929 -4.389 -2.025 1.00 0.00 H +ATOM 273 HD11 LEU A 20 -3.141 -2.334 -3.193 1.00 0.00 H +ATOM 274 HD12 LEU A 20 -4.071 -1.364 -2.027 1.00 0.00 H +ATOM 275 HD13 LEU A 20 -2.729 -2.387 -1.462 1.00 0.00 H +ATOM 276 HD21 LEU A 20 -6.275 -3.354 -0.748 1.00 0.00 H +ATOM 277 HD22 LEU A 20 -4.958 -4.337 -0.064 1.00 0.00 H +ATOM 278 HD23 LEU A 20 -4.837 -2.561 -0.060 1.00 0.00 H +ATOM 279 N VAL A 21 -5.776 -0.393 -3.746 1.00 0.00 N +ATOM 280 CA VAL A 21 -5.298 0.971 -3.599 1.00 0.00 C +ATOM 281 C VAL A 21 -6.453 1.866 -3.145 1.00 0.00 C +ATOM 282 O VAL A 21 -6.415 2.428 -2.052 1.00 0.00 O +ATOM 283 CB VAL A 21 -4.652 1.443 -4.903 1.00 0.00 C +ATOM 284 CG1 VAL A 21 -5.519 2.497 -5.594 1.00 0.00 C +ATOM 285 CG2 VAL A 21 -3.238 1.973 -4.654 1.00 0.00 C +ATOM 286 H VAL A 21 -5.739 -0.755 -4.678 1.00 0.00 H +ATOM 287 HA VAL A 21 -4.531 0.969 -2.824 1.00 0.00 H +ATOM 288 HB VAL A 21 -4.575 0.584 -5.569 1.00 0.00 H +ATOM 289 HG11 VAL A 21 -5.890 3.206 -4.852 1.00 0.00 H +ATOM 290 HG12 VAL A 21 -4.924 3.028 -6.337 1.00 0.00 H +ATOM 291 HG13 VAL A 21 -6.362 2.010 -6.084 1.00 0.00 H +ATOM 292 HG21 VAL A 21 -2.641 1.201 -4.170 1.00 0.00 H +ATOM 293 HG22 VAL A 21 -2.780 2.245 -5.605 1.00 0.00 H +ATOM 294 HG23 VAL A 21 -3.288 2.851 -4.010 1.00 0.00 H +ATOM 295 N PHE A 22 -7.453 1.970 -4.009 1.00 0.00 N +ATOM 296 CA PHE A 22 -8.617 2.786 -3.711 1.00 0.00 C +ATOM 297 C PHE A 22 -9.371 2.243 -2.495 1.00 0.00 C +ATOM 298 O PHE A 22 -9.969 3.007 -1.739 1.00 0.00 O +ATOM 299 CB PHE A 22 -9.533 2.723 -4.935 1.00 0.00 C +ATOM 300 CG PHE A 22 -10.464 3.929 -5.078 1.00 0.00 C +ATOM 301 CD1 PHE A 22 -10.396 4.950 -4.183 1.00 0.00 C +ATOM 302 CD2 PHE A 22 -11.360 3.978 -6.100 1.00 0.00 C +ATOM 303 CE1 PHE A 22 -11.261 6.069 -4.316 1.00 0.00 C +ATOM 304 CE2 PHE A 22 -12.224 5.097 -6.233 1.00 0.00 C +ATOM 305 CZ PHE A 22 -12.156 6.119 -5.338 1.00 0.00 C +ATOM 306 H PHE A 22 -7.476 1.509 -4.896 1.00 0.00 H +ATOM 307 HA PHE A 22 -8.259 3.793 -3.494 1.00 0.00 H +ATOM 308 HB2 PHE A 22 -8.919 2.643 -5.831 1.00 0.00 H +ATOM 309 HB3 PHE A 22 -10.135 1.816 -4.879 1.00 0.00 H +ATOM 310 HD1 PHE A 22 -9.678 4.911 -3.364 1.00 0.00 H +ATOM 311 HD2 PHE A 22 -11.414 3.159 -6.817 1.00 0.00 H +ATOM 312 HE1 PHE A 22 -11.206 6.888 -3.599 1.00 0.00 H +ATOM 313 HE2 PHE A 22 -12.942 5.137 -7.052 1.00 0.00 H +ATOM 314 HZ PHE A 22 -12.820 6.978 -5.440 1.00 0.00 H +ATOM 315 N GLY A 23 -9.319 0.928 -2.346 1.00 0.00 N +ATOM 316 CA GLY A 23 -9.990 0.273 -1.235 1.00 0.00 C +ATOM 317 C GLY A 23 -9.232 0.501 0.074 1.00 0.00 C +ATOM 318 O GLY A 23 -9.843 0.724 1.118 1.00 0.00 O +ATOM 319 H GLY A 23 -8.830 0.313 -2.965 1.00 0.00 H +ATOM 320 HA2 GLY A 23 -11.006 0.657 -1.143 1.00 0.00 H +ATOM 321 HA3 GLY A 23 -10.069 -0.796 -1.433 1.00 0.00 H +ATOM 322 N PHE A 24 -7.912 0.437 -0.024 1.00 0.00 N +ATOM 323 CA PHE A 24 -7.065 0.634 1.139 1.00 0.00 C +ATOM 324 C PHE A 24 -7.422 1.932 1.865 1.00 0.00 C +ATOM 325 O PHE A 24 -7.710 1.920 3.061 1.00 0.00 O +ATOM 326 CB PHE A 24 -5.624 0.727 0.633 1.00 0.00 C +ATOM 327 CG PHE A 24 -4.663 1.404 1.612 1.00 0.00 C +ATOM 328 CD1 PHE A 24 -4.776 2.735 1.866 1.00 0.00 C +ATOM 329 CD2 PHE A 24 -3.695 0.674 2.229 1.00 0.00 C +ATOM 330 CE1 PHE A 24 -3.884 3.363 2.774 1.00 0.00 C +ATOM 331 CE2 PHE A 24 -2.803 1.302 3.137 1.00 0.00 C +ATOM 332 CZ PHE A 24 -2.916 2.633 3.391 1.00 0.00 C +ATOM 333 H PHE A 24 -7.423 0.256 -0.877 1.00 0.00 H +ATOM 334 HA PHE A 24 -7.231 -0.212 1.807 1.00 0.00 H +ATOM 335 HB2 PHE A 24 -5.260 -0.278 0.418 1.00 0.00 H +ATOM 336 HB3 PHE A 24 -5.615 1.277 -0.308 1.00 0.00 H +ATOM 337 HD1 PHE A 24 -5.552 3.320 1.371 1.00 0.00 H +ATOM 338 HD2 PHE A 24 -3.604 -0.393 2.025 1.00 0.00 H +ATOM 339 HE1 PHE A 24 -3.975 4.430 2.978 1.00 0.00 H +ATOM 340 HE2 PHE A 24 -2.027 0.717 3.632 1.00 0.00 H +ATOM 341 HZ PHE A 24 -2.231 3.116 4.089 1.00 0.00 H +ATOM 342 N LEU A 25 -7.393 3.021 1.112 1.00 0.00 N +ATOM 343 CA LEU A 25 -7.710 4.325 1.669 1.00 0.00 C +ATOM 344 C LEU A 25 -9.146 4.313 2.198 1.00 0.00 C +ATOM 345 O LEU A 25 -9.417 4.833 3.279 1.00 0.00 O +ATOM 346 CB LEU A 25 -7.443 5.427 0.640 1.00 0.00 C +ATOM 347 CG LEU A 25 -6.874 6.735 1.192 1.00 0.00 C +ATOM 348 CD1 LEU A 25 -5.706 6.468 2.143 1.00 0.00 C +ATOM 349 CD2 LEU A 25 -6.483 7.684 0.057 1.00 0.00 C +ATOM 350 H LEU A 25 -7.158 3.023 0.140 1.00 0.00 H +ATOM 351 HA LEU A 25 -7.034 4.496 2.507 1.00 0.00 H +ATOM 352 HB2 LEU A 25 -6.751 5.038 -0.107 1.00 0.00 H +ATOM 353 HB3 LEU A 25 -8.377 5.649 0.124 1.00 0.00 H +ATOM 354 HG LEU A 25 -7.654 7.230 1.771 1.00 0.00 H +ATOM 355 HD11 LEU A 25 -5.366 5.439 2.021 1.00 0.00 H +ATOM 356 HD12 LEU A 25 -4.887 7.150 1.914 1.00 0.00 H +ATOM 357 HD13 LEU A 25 -6.032 6.623 3.171 1.00 0.00 H +ATOM 358 HD21 LEU A 25 -6.598 7.174 -0.899 1.00 0.00 H +ATOM 359 HD22 LEU A 25 -7.128 8.563 0.080 1.00 0.00 H +ATOM 360 HD23 LEU A 25 -5.445 7.993 0.182 1.00 0.00 H +ATOM 361 N GLN A 26 -10.028 3.714 1.411 1.00 0.00 N +ATOM 362 CA GLN A 26 -11.428 3.628 1.787 1.00 0.00 C +ATOM 363 C GLN A 26 -11.562 3.113 3.222 1.00 0.00 C +ATOM 364 O GLN A 26 -12.479 3.504 3.942 1.00 0.00 O +ATOM 365 CB GLN A 26 -12.204 2.740 0.812 1.00 0.00 C +ATOM 366 CG GLN A 26 -13.610 3.292 0.567 1.00 0.00 C +ATOM 367 CD GLN A 26 -14.635 2.599 1.467 1.00 0.00 C +ATOM 368 OE1 GLN A 26 -14.588 1.402 1.698 1.00 0.00 O +ATOM 369 NE2 GLN A 26 -15.562 3.416 1.959 1.00 0.00 N +ATOM 370 H GLN A 26 -9.799 3.294 0.533 1.00 0.00 H +ATOM 371 HA GLN A 26 -11.809 4.647 1.723 1.00 0.00 H +ATOM 372 HB2 GLN A 26 -11.665 2.675 -0.133 1.00 0.00 H +ATOM 373 HB3 GLN A 26 -12.271 1.728 1.210 1.00 0.00 H +ATOM 374 HG2 GLN A 26 -13.621 4.365 0.757 1.00 0.00 H +ATOM 375 HG3 GLN A 26 -13.883 3.150 -0.478 1.00 0.00 H +ATOM 376 HE21 GLN A 26 -15.544 4.389 1.730 1.00 0.00 H +ATOM 377 HE22 GLN A 26 -16.277 3.057 2.559 1.00 0.00 H +ATOM 378 N SER A 27 -10.634 2.244 3.594 1.00 0.00 N +ATOM 379 CA SER A 27 -10.636 1.672 4.930 1.00 0.00 C +ATOM 380 C SER A 27 -9.963 2.632 5.912 1.00 0.00 C +ATOM 381 O SER A 27 -10.566 3.035 6.905 1.00 0.00 O +ATOM 382 CB SER A 27 -9.933 0.314 4.948 1.00 0.00 C +ATOM 383 OG SER A 27 -9.007 0.207 6.026 1.00 0.00 O +ATOM 384 H SER A 27 -9.891 1.931 3.002 1.00 0.00 H +ATOM 385 HA SER A 27 -11.688 1.539 5.185 1.00 0.00 H +ATOM 386 HB2 SER A 27 -10.676 -0.479 5.029 1.00 0.00 H +ATOM 387 HB3 SER A 27 -9.409 0.164 4.004 1.00 0.00 H +ATOM 388 HG SER A 27 -8.185 0.740 5.826 1.00 0.00 H +ATOM 389 N SER A 28 -8.721 2.972 5.600 1.00 0.00 N +ATOM 390 CA SER A 28 -7.958 3.878 6.442 1.00 0.00 C +ATOM 391 C SER A 28 -7.046 4.752 5.580 1.00 0.00 C +ATOM 392 O SER A 28 -7.433 5.176 4.492 1.00 0.00 O +ATOM 393 CB SER A 28 -7.134 3.107 7.475 1.00 0.00 C +ATOM 394 OG SER A 28 -6.583 3.967 8.469 1.00 0.00 O +ATOM 395 H SER A 28 -8.237 2.640 4.790 1.00 0.00 H +ATOM 396 HA SER A 28 -8.701 4.489 6.954 1.00 0.00 H +ATOM 397 HB2 SER A 28 -7.762 2.356 7.953 1.00 0.00 H +ATOM 398 HB3 SER A 28 -6.328 2.574 6.970 1.00 0.00 H +ATOM 399 HG SER A 28 -6.535 3.489 9.346 1.00 0.00 H +ATOM 400 N GLY A 29 -5.851 4.996 6.097 1.00 0.00 N +ATOM 401 CA GLY A 29 -4.880 5.812 5.388 1.00 0.00 C +ATOM 402 C GLY A 29 -5.156 7.301 5.600 1.00 0.00 C +ATOM 403 O GLY A 29 -5.575 7.711 6.682 1.00 0.00 O +ATOM 404 H GLY A 29 -5.544 4.647 6.983 1.00 0.00 H +ATOM 405 HA2 GLY A 29 -3.875 5.571 5.735 1.00 0.00 H +ATOM 406 HA3 GLY A 29 -4.914 5.580 4.324 1.00 0.00 H +ATOM 407 N CYS A 30 -4.911 8.072 4.551 1.00 0.00 N +ATOM 408 CA CYS A 30 -5.128 9.507 4.609 1.00 0.00 C +ATOM 409 C CYS A 30 -6.581 9.757 5.018 1.00 0.00 C +ATOM 410 O CYS A 30 -6.960 9.503 6.160 1.00 0.00 O +ATOM 411 CB CYS A 30 -4.784 10.185 3.281 1.00 0.00 C +ATOM 412 SG CYS A 30 -4.812 12.004 3.481 1.00 0.00 S +ATOM 413 H CYS A 30 -4.571 7.731 3.674 1.00 0.00 H +ATOM 414 HA CYS A 30 -4.442 9.898 5.360 1.00 0.00 H +ATOM 415 HB2 CYS A 30 -3.799 9.864 2.943 1.00 0.00 H +ATOM 416 HB3 CYS A 30 -5.498 9.885 2.514 1.00 0.00 H +ATOM 417 HG CYS A 30 -6.136 12.117 3.538 1.00 0.00 H +ATOM 418 N THR A 31 -7.355 10.252 4.063 1.00 0.00 N +ATOM 419 CA THR A 31 -8.757 10.539 4.309 1.00 0.00 C +ATOM 420 C THR A 31 -9.602 10.160 3.091 1.00 0.00 C +ATOM 421 O THR A 31 -9.062 9.853 2.029 1.00 0.00 O +ATOM 422 CB THR A 31 -8.877 12.014 4.696 1.00 0.00 C +ATOM 423 OG1 THR A 31 -7.795 12.225 5.599 1.00 0.00 O +ATOM 424 CG2 THR A 31 -10.124 12.300 5.536 1.00 0.00 C +ATOM 425 H THR A 31 -7.038 10.456 3.136 1.00 0.00 H +ATOM 426 HA THR A 31 -9.095 9.917 5.138 1.00 0.00 H +ATOM 427 HB THR A 31 -8.848 12.652 3.813 1.00 0.00 H +ATOM 428 HG1 THR A 31 -7.712 13.199 5.812 1.00 0.00 H +ATOM 429 HG21 THR A 31 -10.602 11.359 5.808 1.00 0.00 H +ATOM 430 HG22 THR A 31 -9.838 12.838 6.440 1.00 0.00 H +ATOM 431 HG23 THR A 31 -10.820 12.907 4.957 1.00 0.00 H +ATOM 432 N ARG A 32 -10.912 10.194 3.285 1.00 0.00 N +ATOM 433 CA ARG A 32 -11.836 9.857 2.215 1.00 0.00 C +ATOM 434 C ARG A 32 -11.474 10.624 0.941 1.00 0.00 C +ATOM 435 O ARG A 32 -11.267 10.022 -0.111 1.00 0.00 O +ATOM 436 CB ARG A 32 -13.277 10.187 2.609 1.00 0.00 C +ATOM 437 CG ARG A 32 -13.392 11.625 3.117 1.00 0.00 C +ATOM 438 CD ARG A 32 -14.586 11.780 4.061 1.00 0.00 C +ATOM 439 NE ARG A 32 -14.840 13.213 4.326 1.00 0.00 N +ATOM 440 CZ ARG A 32 -16.012 13.702 4.784 1.00 0.00 C +ATOM 441 NH1 ARG A 32 -17.049 12.875 5.033 1.00 0.00 N +ATOM 442 NH2 ARG A 32 -16.129 15.002 4.984 1.00 0.00 N +ATOM 443 H ARG A 32 -11.342 10.444 4.152 1.00 0.00 H +ATOM 444 HA ARG A 32 -11.719 8.783 2.073 1.00 0.00 H +ATOM 445 HB2 ARG A 32 -13.933 10.047 1.750 1.00 0.00 H +ATOM 446 HB3 ARG A 32 -13.614 9.496 3.382 1.00 0.00 H +ATOM 447 HG2 ARG A 32 -12.475 11.906 3.636 1.00 0.00 H +ATOM 448 HG3 ARG A 32 -13.501 12.306 2.272 1.00 0.00 H +ATOM 449 HD2 ARG A 32 -15.471 11.320 3.620 1.00 0.00 H +ATOM 450 HD3 ARG A 32 -14.389 11.258 4.998 1.00 0.00 H +ATOM 451 HE ARG A 32 -14.097 13.861 4.154 1.00 0.00 H +ATOM 452 HH22 ARG A 32 -16.961 15.443 5.321 1.00 0.00 H +ATOM 453 N GLN A 33 -11.410 11.940 1.079 1.00 0.00 N +ATOM 454 CA GLN A 33 -11.077 12.795 -0.048 1.00 0.00 C +ATOM 455 C GLN A 33 -9.789 12.313 -0.718 1.00 0.00 C +ATOM 456 O GLN A 33 -9.590 12.524 -1.913 1.00 0.00 O +ATOM 457 CB GLN A 33 -10.954 14.256 0.390 1.00 0.00 C +ATOM 458 CG GLN A 33 -11.500 15.198 -0.685 1.00 0.00 C +ATOM 459 CD GLN A 33 -11.441 16.654 -0.219 1.00 0.00 C +ATOM 460 OE1 GLN A 33 -11.348 16.952 0.961 1.00 0.00 O +ATOM 461 NE2 GLN A 33 -11.500 17.542 -1.208 1.00 0.00 N +ATOM 462 H GLN A 33 -11.580 12.422 1.939 1.00 0.00 H +ATOM 463 HA GLN A 33 -11.913 12.699 -0.741 1.00 0.00 H +ATOM 464 HB2 GLN A 33 -11.498 14.407 1.322 1.00 0.00 H +ATOM 465 HB3 GLN A 33 -9.909 14.493 0.589 1.00 0.00 H +ATOM 466 HG2 GLN A 33 -10.923 15.083 -1.602 1.00 0.00 H +ATOM 467 HG3 GLN A 33 -12.530 14.929 -0.920 1.00 0.00 H +ATOM 468 HE21 GLN A 33 -11.576 17.230 -2.155 1.00 0.00 H +ATOM 469 HE22 GLN A 33 -11.469 18.520 -1.004 1.00 0.00 H +ATOM 470 N GLU A 34 -8.948 11.674 0.081 1.00 0.00 N +ATOM 471 CA GLU A 34 -7.684 11.160 -0.419 1.00 0.00 C +ATOM 472 C GLU A 34 -7.929 10.005 -1.392 1.00 0.00 C +ATOM 473 O GLU A 34 -7.501 10.057 -2.544 1.00 0.00 O +ATOM 474 CB GLU A 34 -6.775 10.724 0.731 1.00 0.00 C +ATOM 475 CG GLU A 34 -5.324 10.590 0.264 1.00 0.00 C +ATOM 476 CD GLU A 34 -4.538 11.873 0.541 1.00 0.00 C +ATOM 477 OE1 GLU A 34 -5.136 12.952 0.668 1.00 0.00 O +ATOM 478 OE2 GLU A 34 -3.260 11.721 0.626 1.00 0.00 O +ATOM 479 H GLU A 34 -9.117 11.506 1.053 1.00 0.00 H +ATOM 480 HA GLU A 34 -7.220 11.994 -0.945 1.00 0.00 H +ATOM 481 HB2 GLU A 34 -6.834 11.451 1.542 1.00 0.00 H +ATOM 482 HB3 GLU A 34 -7.121 9.771 1.132 1.00 0.00 H +ATOM 483 HG2 GLU A 34 -4.850 9.751 0.773 1.00 0.00 H +ATOM 484 HG3 GLU A 34 -5.302 10.369 -0.804 1.00 0.00 H +ATOM 485 N LEU A 35 -8.618 8.989 -0.893 1.00 0.00 N +ATOM 486 CA LEU A 35 -8.925 7.823 -1.703 1.00 0.00 C +ATOM 487 C LEU A 35 -9.449 8.278 -3.067 1.00 0.00 C +ATOM 488 O LEU A 35 -9.222 7.613 -4.077 1.00 0.00 O +ATOM 489 CB LEU A 35 -9.881 6.889 -0.958 1.00 0.00 C +ATOM 490 CG LEU A 35 -11.372 7.100 -1.229 1.00 0.00 C +ATOM 491 CD1 LEU A 35 -12.027 5.811 -1.728 1.00 0.00 C +ATOM 492 CD2 LEU A 35 -12.079 7.661 0.007 1.00 0.00 C +ATOM 493 H LEU A 35 -8.963 8.954 0.045 1.00 0.00 H +ATOM 494 HA LEU A 35 -7.994 7.276 -1.856 1.00 0.00 H +ATOM 495 HB2 LEU A 35 -9.627 5.860 -1.216 1.00 0.00 H +ATOM 496 HB3 LEU A 35 -9.706 7.001 0.112 1.00 0.00 H +ATOM 497 HG LEU A 35 -11.474 7.841 -2.021 1.00 0.00 H +ATOM 498 HD11 LEU A 35 -11.256 5.122 -2.072 1.00 0.00 H +ATOM 499 HD12 LEU A 35 -12.590 5.351 -0.916 1.00 0.00 H +ATOM 500 HD13 LEU A 35 -12.702 6.042 -2.552 1.00 0.00 H +ATOM 501 HD21 LEU A 35 -11.336 8.023 0.718 1.00 0.00 H +ATOM 502 HD22 LEU A 35 -12.730 8.483 -0.289 1.00 0.00 H +ATOM 503 HD23 LEU A 35 -12.674 6.875 0.473 1.00 0.00 H +ATOM 504 N GLU A 36 -10.139 9.409 -3.052 1.00 0.00 N +ATOM 505 CA GLU A 36 -10.697 9.962 -4.275 1.00 0.00 C +ATOM 506 C GLU A 36 -9.577 10.441 -5.200 1.00 0.00 C +ATOM 507 O GLU A 36 -9.587 10.152 -6.395 1.00 0.00 O +ATOM 508 CB GLU A 36 -11.677 11.095 -3.967 1.00 0.00 C +ATOM 509 CG GLU A 36 -12.311 11.636 -5.251 1.00 0.00 C +ATOM 510 CD GLU A 36 -12.476 13.155 -5.183 1.00 0.00 C +ATOM 511 OE1 GLU A 36 -12.911 13.686 -4.150 1.00 0.00 O +ATOM 512 OE2 GLU A 36 -12.133 13.789 -6.253 1.00 0.00 O +ATOM 513 H GLU A 36 -10.319 9.944 -2.226 1.00 0.00 H +ATOM 514 HA GLU A 36 -11.237 9.139 -4.744 1.00 0.00 H +ATOM 515 HB2 GLU A 36 -12.457 10.734 -3.296 1.00 0.00 H +ATOM 516 HB3 GLU A 36 -11.157 11.900 -3.447 1.00 0.00 H +ATOM 517 HG2 GLU A 36 -11.689 11.372 -6.106 1.00 0.00 H +ATOM 518 HG3 GLU A 36 -13.283 11.167 -5.406 1.00 0.00 H +ATOM 519 N VAL A 37 -8.637 11.167 -4.611 1.00 0.00 N +ATOM 520 CA VAL A 37 -7.512 11.690 -5.368 1.00 0.00 C +ATOM 521 C VAL A 37 -6.653 10.527 -5.865 1.00 0.00 C +ATOM 522 O VAL A 37 -6.422 10.389 -7.066 1.00 0.00 O +ATOM 523 CB VAL A 37 -6.728 12.691 -4.516 1.00 0.00 C +ATOM 524 CG1 VAL A 37 -5.525 12.020 -3.851 1.00 0.00 C +ATOM 525 CG2 VAL A 37 -6.293 13.898 -5.349 1.00 0.00 C +ATOM 526 H VAL A 37 -8.636 11.399 -3.639 1.00 0.00 H +ATOM 527 HA VAL A 37 -7.914 12.223 -6.229 1.00 0.00 H +ATOM 528 HB VAL A 37 -7.390 13.049 -3.727 1.00 0.00 H +ATOM 529 HG11 VAL A 37 -5.008 11.395 -4.580 1.00 0.00 H +ATOM 530 HG12 VAL A 37 -4.842 12.784 -3.479 1.00 0.00 H +ATOM 531 HG13 VAL A 37 -5.866 11.402 -3.020 1.00 0.00 H +ATOM 532 HG21 VAL A 37 -7.113 14.206 -5.997 1.00 0.00 H +ATOM 533 HG22 VAL A 37 -6.025 14.720 -4.685 1.00 0.00 H +ATOM 534 HG23 VAL A 37 -5.430 13.627 -5.958 1.00 0.00 H +ATOM 535 N LEU A 38 -6.202 9.718 -4.918 1.00 0.00 N +ATOM 536 CA LEU A 38 -5.373 8.571 -5.245 1.00 0.00 C +ATOM 537 C LEU A 38 -6.207 7.549 -6.020 1.00 0.00 C +ATOM 538 O LEU A 38 -5.785 7.068 -7.071 1.00 0.00 O +ATOM 539 CB LEU A 38 -4.722 8.002 -3.982 1.00 0.00 C +ATOM 540 CG LEU A 38 -4.323 9.024 -2.915 1.00 0.00 C +ATOM 541 CD1 LEU A 38 -3.986 8.332 -1.593 1.00 0.00 C +ATOM 542 CD2 LEU A 38 -3.176 9.910 -3.407 1.00 0.00 C +ATOM 543 H LEU A 38 -6.394 9.837 -3.943 1.00 0.00 H +ATOM 544 HA LEU A 38 -4.568 8.922 -5.891 1.00 0.00 H +ATOM 545 HB2 LEU A 38 -5.412 7.287 -3.532 1.00 0.00 H +ATOM 546 HB3 LEU A 38 -3.832 7.445 -4.275 1.00 0.00 H +ATOM 547 HG LEU A 38 -5.176 9.675 -2.729 1.00 0.00 H +ATOM 548 HD11 LEU A 38 -4.795 7.653 -1.321 1.00 0.00 H +ATOM 549 HD12 LEU A 38 -3.060 7.768 -1.703 1.00 0.00 H +ATOM 550 HD13 LEU A 38 -3.864 9.082 -0.811 1.00 0.00 H +ATOM 551 HD21 LEU A 38 -2.743 9.476 -4.308 1.00 0.00 H +ATOM 552 HD22 LEU A 38 -3.557 10.906 -3.630 1.00 0.00 H +ATOM 553 HD23 LEU A 38 -2.412 9.978 -2.632 1.00 0.00 H +ATOM 554 N GLY A 39 -7.375 7.248 -5.472 1.00 0.00 N +ATOM 555 CA GLY A 39 -8.271 6.292 -6.099 1.00 0.00 C +ATOM 556 C GLY A 39 -8.627 6.726 -7.522 1.00 0.00 C +ATOM 557 O GLY A 39 -8.673 5.901 -8.434 1.00 0.00 O +ATOM 558 H GLY A 39 -7.710 7.643 -4.617 1.00 0.00 H +ATOM 559 HA2 GLY A 39 -7.802 5.308 -6.122 1.00 0.00 H +ATOM 560 HA3 GLY A 39 -9.181 6.197 -5.506 1.00 0.00 H +ATOM 561 N ARG A 40 -8.870 8.020 -7.668 1.00 0.00 N +ATOM 562 CA ARG A 40 -9.221 8.574 -8.965 1.00 0.00 C +ATOM 563 C ARG A 40 -8.212 8.125 -10.024 1.00 0.00 C +ATOM 564 O ARG A 40 -7.143 8.718 -10.160 1.00 0.00 O +ATOM 565 CB ARG A 40 -9.255 10.103 -8.920 1.00 0.00 C +ATOM 566 CG ARG A 40 -9.095 10.697 -10.321 1.00 0.00 C +ATOM 567 CD ARG A 40 -7.689 11.269 -10.516 1.00 0.00 C +ATOM 568 NE ARG A 40 -7.736 12.748 -10.485 1.00 0.00 N +ATOM 569 CZ ARG A 40 -6.810 13.547 -11.056 1.00 0.00 C +ATOM 570 NH1 ARG A 40 -5.754 13.015 -11.707 1.00 0.00 N +ATOM 571 NH2 ARG A 40 -6.951 14.856 -10.967 1.00 0.00 N +ATOM 572 H ARG A 40 -8.831 8.685 -6.922 1.00 0.00 H +ATOM 573 HA ARG A 40 -10.214 8.180 -9.178 1.00 0.00 H +ATOM 574 HB2 ARG A 40 -10.198 10.436 -8.486 1.00 0.00 H +ATOM 575 HB3 ARG A 40 -8.459 10.470 -8.272 1.00 0.00 H +ATOM 576 HG2 ARG A 40 -9.285 9.928 -11.070 1.00 0.00 H +ATOM 577 HG3 ARG A 40 -9.835 11.482 -10.474 1.00 0.00 H +ATOM 578 HD2 ARG A 40 -7.026 10.902 -9.733 1.00 0.00 H +ATOM 579 HD3 ARG A 40 -7.278 10.930 -11.467 1.00 0.00 H +ATOM 580 HE ARG A 40 -8.503 13.183 -10.012 1.00 0.00 H +ATOM 581 HH22 ARG A 40 -6.311 15.516 -11.361 1.00 0.00 H +ATOM 582 N GLU A 41 -8.587 7.081 -10.748 1.00 0.00 N +ATOM 583 CA GLU A 41 -7.729 6.545 -11.791 1.00 0.00 C +ATOM 584 C GLU A 41 -8.569 6.072 -12.979 1.00 0.00 C +ATOM 585 O GLU A 41 -9.540 5.338 -12.804 1.00 0.00 O +ATOM 586 CB GLU A 41 -6.854 5.412 -11.252 1.00 0.00 C +ATOM 587 CG GLU A 41 -5.412 5.881 -11.050 1.00 0.00 C +ATOM 588 CD GLU A 41 -4.418 4.854 -11.596 1.00 0.00 C +ATOM 589 OE1 GLU A 41 -4.154 4.966 -12.854 1.00 0.00 O +ATOM 590 OE2 GLU A 41 -3.935 3.997 -10.841 1.00 0.00 O +ATOM 591 H GLU A 41 -9.458 6.604 -10.631 1.00 0.00 H +ATOM 592 HA GLU A 41 -7.091 7.375 -12.095 1.00 0.00 H +ATOM 593 HB2 GLU A 41 -7.259 5.052 -10.306 1.00 0.00 H +ATOM 594 HB3 GLU A 41 -6.872 4.572 -11.946 1.00 0.00 H +ATOM 595 HG2 GLU A 41 -5.263 6.838 -11.551 1.00 0.00 H +ATOM 596 HG3 GLU A 41 -5.224 6.045 -9.988 1.00 0.00 H +ATOM 597 N LEU A 42 -8.164 6.512 -14.161 1.00 0.00 N +ATOM 598 CA LEU A 42 -8.867 6.143 -15.378 1.00 0.00 C +ATOM 599 C LEU A 42 -8.098 5.026 -16.087 1.00 0.00 C +ATOM 600 O LEU A 42 -7.052 5.271 -16.685 1.00 0.00 O +ATOM 601 CB LEU A 42 -9.108 7.375 -16.253 1.00 0.00 C +ATOM 602 CG LEU A 42 -10.501 8.001 -16.160 1.00 0.00 C +ATOM 603 CD1 LEU A 42 -11.569 7.043 -16.692 1.00 0.00 C +ATOM 604 CD2 LEU A 42 -10.803 8.459 -14.732 1.00 0.00 C +ATOM 605 H LEU A 42 -7.373 7.109 -14.295 1.00 0.00 H +ATOM 606 HA LEU A 42 -9.844 5.758 -15.087 1.00 0.00 H +ATOM 607 HB2 LEU A 42 -8.372 8.134 -15.987 1.00 0.00 H +ATOM 608 HB3 LEU A 42 -8.923 7.100 -17.291 1.00 0.00 H +ATOM 609 HG LEU A 42 -10.520 8.887 -16.794 1.00 0.00 H +ATOM 610 HD11 LEU A 42 -11.117 6.072 -16.898 1.00 0.00 H +ATOM 611 HD12 LEU A 42 -12.356 6.926 -15.948 1.00 0.00 H +ATOM 612 HD13 LEU A 42 -11.994 7.447 -17.611 1.00 0.00 H +ATOM 613 HD21 LEU A 42 -9.962 8.208 -14.085 1.00 0.00 H +ATOM 614 HD22 LEU A 42 -10.960 9.537 -14.722 1.00 0.00 H +ATOM 615 HD23 LEU A 42 -11.701 7.958 -14.372 1.00 0.00 H +ATOM 616 N PRO A 43 -8.662 3.792 -15.995 1.00 0.00 N +ATOM 617 CA PRO A 43 -8.041 2.637 -16.621 1.00 0.00 C +ATOM 618 C PRO A 43 -8.249 2.656 -18.136 1.00 0.00 C +ATOM 619 O PRO A 43 -8.600 3.689 -18.705 1.00 0.00 O +ATOM 620 CB PRO A 43 -8.681 1.433 -15.949 1.00 0.00 C +ATOM 621 CG PRO A 43 -9.962 1.945 -15.309 1.00 0.00 C +ATOM 622 CD PRO A 43 -9.900 3.464 -15.295 1.00 0.00 C +ATOM 623 HA PRO A 43 -7.051 2.656 -16.480 1.00 0.00 H +ATOM 624 HB2 PRO A 43 -8.894 0.648 -16.674 1.00 0.00 H +ATOM 625 HB3 PRO A 43 -8.016 1.003 -15.200 1.00 0.00 H +ATOM 626 HG2 PRO A 43 -10.832 1.604 -15.870 1.00 0.00 H +ATOM 627 HG3 PRO A 43 -10.063 1.558 -14.295 1.00 0.00 H +ATOM 628 HD2 PRO A 43 -10.765 3.900 -15.795 1.00 0.00 H +ATOM 629 HD3 PRO A 43 -9.893 3.851 -14.276 1.00 0.00 H +ATOM 630 N VAL A 44 -8.023 1.502 -18.747 1.00 0.00 N +ATOM 631 CA VAL A 44 -8.181 1.374 -20.186 1.00 0.00 C +ATOM 632 C VAL A 44 -9.632 1.007 -20.504 1.00 0.00 C +ATOM 633 O VAL A 44 -9.965 -0.171 -20.627 1.00 0.00 O +ATOM 634 CB VAL A 44 -7.174 0.361 -20.735 1.00 0.00 C +ATOM 635 CG1 VAL A 44 -7.489 0.009 -22.190 1.00 0.00 C +ATOM 636 CG2 VAL A 44 -5.742 0.881 -20.594 1.00 0.00 C +ATOM 637 H VAL A 44 -7.737 0.667 -18.277 1.00 0.00 H +ATOM 638 HA VAL A 44 -7.959 2.345 -20.629 1.00 0.00 H +ATOM 639 HB VAL A 44 -7.259 -0.550 -20.143 1.00 0.00 H +ATOM 640 HG11 VAL A 44 -8.498 -0.398 -22.255 1.00 0.00 H +ATOM 641 HG12 VAL A 44 -7.418 0.906 -22.805 1.00 0.00 H +ATOM 642 HG13 VAL A 44 -6.774 -0.733 -22.547 1.00 0.00 H +ATOM 643 HG21 VAL A 44 -5.674 1.526 -19.718 1.00 0.00 H +ATOM 644 HG22 VAL A 44 -5.059 0.039 -20.479 1.00 0.00 H +ATOM 645 HG23 VAL A 44 -5.472 1.448 -21.485 1.00 0.00 H +ATOM 646 N GLN A 45 -10.456 2.037 -20.629 1.00 0.00 N +ATOM 647 CA GLN A 45 -11.863 1.837 -20.930 1.00 0.00 C +ATOM 648 C GLN A 45 -12.671 3.075 -20.534 1.00 0.00 C +ATOM 649 O GLN A 45 -12.821 4.003 -21.327 1.00 0.00 O +ATOM 650 CB GLN A 45 -12.401 0.585 -20.235 1.00 0.00 C +ATOM 651 CG GLN A 45 -12.457 -0.598 -21.203 1.00 0.00 C +ATOM 652 CD GLN A 45 -13.809 -0.659 -21.917 1.00 0.00 C +ATOM 653 OE1 GLN A 45 -14.857 -0.788 -21.307 1.00 0.00 O +ATOM 654 NE2 GLN A 45 -13.727 -0.558 -23.241 1.00 0.00 N +ATOM 655 H GLN A 45 -10.176 2.992 -20.527 1.00 0.00 H +ATOM 656 HA GLN A 45 -11.910 1.695 -22.010 1.00 0.00 H +ATOM 657 HB2 GLN A 45 -11.765 0.335 -19.386 1.00 0.00 H +ATOM 658 HB3 GLN A 45 -13.397 0.784 -19.840 1.00 0.00 H +ATOM 659 HG2 GLN A 45 -11.657 -0.509 -21.939 1.00 0.00 H +ATOM 660 HG3 GLN A 45 -12.287 -1.527 -20.658 1.00 0.00 H +ATOM 661 HE21 GLN A 45 -12.834 -0.454 -23.680 1.00 0.00 H +ATOM 662 HE22 GLN A 45 -14.558 -0.587 -23.797 1.00 0.00 H +ATOM 663 N ALA A 46 -13.172 3.047 -19.307 1.00 0.00 N +ATOM 664 CA ALA A 46 -13.961 4.155 -18.796 1.00 0.00 C +ATOM 665 C ALA A 46 -14.521 3.784 -17.422 1.00 0.00 C +ATOM 666 O ALA A 46 -15.735 3.703 -17.244 1.00 0.00 O +ATOM 667 CB ALA A 46 -15.062 4.503 -19.800 1.00 0.00 C +ATOM 668 H ALA A 46 -13.045 2.288 -18.669 1.00 0.00 H +ATOM 669 HA ALA A 46 -13.298 5.013 -18.690 1.00 0.00 H +ATOM 670 HB1 ALA A 46 -15.123 3.723 -20.558 1.00 0.00 H +ATOM 671 HB2 ALA A 46 -16.016 4.580 -19.280 1.00 0.00 H +ATOM 672 HB3 ALA A 46 -14.830 5.456 -20.277 1.00 0.00 H +ATOM 673 N TYR A 47 -13.609 3.570 -16.485 1.00 0.00 N +ATOM 674 CA TYR A 47 -13.997 3.210 -15.131 1.00 0.00 C +ATOM 675 C TYR A 47 -15.206 4.028 -14.672 1.00 0.00 C +ATOM 676 O TYR A 47 -15.540 5.044 -15.279 1.00 0.00 O +ATOM 677 CB TYR A 47 -12.798 3.552 -14.244 1.00 0.00 C +ATOM 678 CG TYR A 47 -13.121 3.587 -12.749 1.00 0.00 C +ATOM 679 CD1 TYR A 47 -13.456 2.424 -12.087 1.00 0.00 C +ATOM 680 CD2 TYR A 47 -13.077 4.784 -12.062 1.00 0.00 C +ATOM 681 CE1 TYR A 47 -13.759 2.458 -10.680 1.00 0.00 C +ATOM 682 CE2 TYR A 47 -13.381 4.818 -10.655 1.00 0.00 C +ATOM 683 CZ TYR A 47 -13.707 3.653 -10.033 1.00 0.00 C +ATOM 684 OH TYR A 47 -13.994 3.685 -8.704 1.00 0.00 O +ATOM 685 H TYR A 47 -12.623 3.638 -16.638 1.00 0.00 H +ATOM 686 HA TYR A 47 -14.260 2.152 -15.127 1.00 0.00 H +ATOM 687 HB2 TYR A 47 -12.010 2.819 -14.418 1.00 0.00 H +ATOM 688 HB3 TYR A 47 -12.403 4.522 -14.543 1.00 0.00 H +ATOM 689 HD1 TYR A 47 -13.491 1.479 -12.630 1.00 0.00 H +ATOM 690 HD2 TYR A 47 -12.813 5.703 -12.585 1.00 0.00 H +ATOM 691 HE1 TYR A 47 -14.025 1.546 -10.145 1.00 0.00 H +ATOM 692 HE2 TYR A 47 -13.350 5.756 -10.100 1.00 0.00 H +ATOM 693 HH TYR A 47 -13.827 2.787 -8.297 1.00 0.00 H +ATOM 694 N TRP A 48 -15.829 3.554 -13.603 1.00 0.00 N +ATOM 695 CA TRP A 48 -16.993 4.228 -13.055 1.00 0.00 C +ATOM 696 C TRP A 48 -17.745 3.231 -12.170 1.00 0.00 C +ATOM 697 O TRP A 48 -17.912 2.070 -12.541 1.00 0.00 O +ATOM 698 CB TRP A 48 -17.863 4.813 -14.169 1.00 0.00 C +ATOM 699 CG TRP A 48 -17.843 6.341 -14.238 1.00 0.00 C +ATOM 700 CD1 TRP A 48 -18.826 7.162 -14.630 1.00 0.00 C +ATOM 701 CD2 TRP A 48 -16.739 7.203 -13.888 1.00 0.00 C +ATOM 702 NE1 TRP A 48 -18.439 8.485 -14.558 1.00 0.00 N +ATOM 703 CE2 TRP A 48 -17.130 8.510 -14.093 1.00 0.00 C +ATOM 704 CE3 TRP A 48 -15.454 6.887 -13.415 1.00 0.00 C +ATOM 705 CZ2 TRP A 48 -16.294 9.607 -13.850 1.00 0.00 C +ATOM 706 CZ3 TRP A 48 -14.630 7.994 -13.177 1.00 0.00 C +ATOM 707 CH2 TRP A 48 -15.008 9.317 -13.378 1.00 0.00 C +ATOM 708 H TRP A 48 -15.551 2.727 -13.114 1.00 0.00 H +ATOM 709 HA TRP A 48 -16.641 5.067 -12.454 1.00 0.00 H +ATOM 710 HB2 TRP A 48 -17.529 4.411 -15.126 1.00 0.00 H +ATOM 711 HB3 TRP A 48 -18.891 4.479 -14.026 1.00 0.00 H +ATOM 712 HD1 TRP A 48 -19.809 6.828 -14.963 1.00 0.00 H +ATOM 713 HE1 TRP A 48 -19.048 9.351 -14.819 1.00 0.00 H +ATOM 714 HE3 TRP A 48 -15.121 5.863 -13.245 1.00 0.00 H +ATOM 715 HZ2 TRP A 48 -16.626 10.631 -14.020 1.00 0.00 H +ATOM 716 HZ3 TRP A 48 -13.622 7.806 -12.808 1.00 0.00 H +ATOM 717 HH2 TRP A 48 -14.307 10.125 -13.168 1.00 0.00 H +ATOM 718 N GLU A 49 -18.177 3.720 -11.017 1.00 0.00 N +ATOM 719 CA GLU A 49 -18.907 2.887 -10.077 1.00 0.00 C +ATOM 720 C GLU A 49 -19.956 3.717 -9.335 1.00 0.00 C +ATOM 721 O GLU A 49 -20.473 4.695 -9.873 1.00 0.00 O +ATOM 722 CB GLU A 49 -17.953 2.204 -9.095 1.00 0.00 C +ATOM 723 CG GLU A 49 -18.366 0.752 -8.849 1.00 0.00 C +ATOM 724 CD GLU A 49 -17.597 0.156 -7.668 1.00 0.00 C +ATOM 725 OE1 GLU A 49 -16.587 0.728 -7.233 1.00 0.00 O +ATOM 726 OE2 GLU A 49 -18.085 -0.943 -7.199 1.00 0.00 O +ATOM 727 H GLU A 49 -18.037 4.666 -10.723 1.00 0.00 H +ATOM 728 HA GLU A 49 -19.398 2.127 -10.685 1.00 0.00 H +ATOM 729 HB2 GLU A 49 -16.937 2.235 -9.488 1.00 0.00 H +ATOM 730 HB3 GLU A 49 -17.946 2.749 -8.151 1.00 0.00 H +ATOM 731 HG2 GLU A 49 -19.437 0.703 -8.652 1.00 0.00 H +ATOM 732 HG3 GLU A 49 -18.180 0.160 -9.745 1.00 0.00 H +ATOM 733 N ALA A 50 -20.240 3.296 -8.111 1.00 0.00 N +ATOM 734 CA ALA A 50 -21.219 3.988 -7.290 1.00 0.00 C +ATOM 735 C ALA A 50 -21.658 3.072 -6.146 1.00 0.00 C +ATOM 736 O ALA A 50 -21.432 1.863 -6.192 1.00 0.00 O +ATOM 737 CB ALA A 50 -22.393 4.435 -8.163 1.00 0.00 C +ATOM 738 H ALA A 50 -19.816 2.499 -7.681 1.00 0.00 H +ATOM 739 HA ALA A 50 -20.736 4.871 -6.872 1.00 0.00 H +ATOM 740 HB1 ALA A 50 -22.472 3.779 -9.030 1.00 0.00 H +ATOM 741 HB2 ALA A 50 -23.316 4.384 -7.584 1.00 0.00 H +ATOM 742 HB3 ALA A 50 -22.229 5.459 -8.496 1.00 0.00 H +ATOM 743 N ASP A 51 -22.277 3.682 -5.146 1.00 0.00 N +ATOM 744 CA ASP A 51 -22.750 2.936 -3.992 1.00 0.00 C +ATOM 745 C ASP A 51 -23.586 3.858 -3.102 1.00 0.00 C +ATOM 746 O ASP A 51 -23.047 4.744 -2.440 1.00 0.00 O +ATOM 747 CB ASP A 51 -21.579 2.409 -3.160 1.00 0.00 C +ATOM 748 CG ASP A 51 -21.975 1.696 -1.865 1.00 0.00 C +ATOM 749 OD1 ASP A 51 -22.775 2.213 -1.071 1.00 0.00 O +ATOM 750 OD2 ASP A 51 -21.418 0.547 -1.684 1.00 0.00 O +ATOM 751 H ASP A 51 -22.457 4.665 -5.117 1.00 0.00 H +ATOM 752 HA ASP A 51 -23.333 2.112 -4.403 1.00 0.00 H +ATOM 753 HB2 ASP A 51 -20.998 1.721 -3.773 1.00 0.00 H +ATOM 754 HB3 ASP A 51 -20.925 3.245 -2.911 1.00 0.00 H +ATOM 755 N LEU A 52 -24.889 3.618 -3.115 1.00 0.00 N +ATOM 756 CA LEU A 52 -25.804 4.415 -2.317 1.00 0.00 C +ATOM 757 C LEU A 52 -25.125 4.800 -1.001 1.00 0.00 C +ATOM 758 O LEU A 52 -24.274 4.067 -0.500 1.00 0.00 O +ATOM 759 CB LEU A 52 -27.133 3.680 -2.131 1.00 0.00 C +ATOM 760 CG LEU A 52 -27.207 2.718 -0.943 1.00 0.00 C +ATOM 761 CD1 LEU A 52 -28.659 2.454 -0.541 1.00 0.00 C +ATOM 762 CD2 LEU A 52 -26.449 1.423 -1.238 1.00 0.00 C +ATOM 763 H LEU A 52 -25.319 2.895 -3.656 1.00 0.00 H +ATOM 764 HA LEU A 52 -26.016 5.327 -2.876 1.00 0.00 H +ATOM 765 HB2 LEU A 52 -27.924 4.422 -2.022 1.00 0.00 H +ATOM 766 HB3 LEU A 52 -27.345 3.119 -3.041 1.00 0.00 H +ATOM 767 HG LEU A 52 -26.718 3.190 -0.091 1.00 0.00 H +ATOM 768 HD11 LEU A 52 -29.218 2.102 -1.409 1.00 0.00 H +ATOM 769 HD12 LEU A 52 -28.688 1.695 0.241 1.00 0.00 H +ATOM 770 HD13 LEU A 52 -29.107 3.375 -0.170 1.00 0.00 H +ATOM 771 HD21 LEU A 52 -26.783 1.015 -2.192 1.00 0.00 H +ATOM 772 HD22 LEU A 52 -25.380 1.630 -1.287 1.00 0.00 H +ATOM 773 HD23 LEU A 52 -26.643 0.700 -0.446 1.00 0.00 H +ATOM 774 N GLU A 53 -25.527 5.949 -0.479 1.00 0.00 N +ATOM 775 CA GLU A 53 -24.968 6.440 0.769 1.00 0.00 C +ATOM 776 C GLU A 53 -25.915 6.136 1.932 1.00 0.00 C +ATOM 777 O GLU A 53 -27.034 5.672 1.720 1.00 0.00 O +ATOM 778 CB GLU A 53 -24.668 7.938 0.684 1.00 0.00 C +ATOM 779 CG GLU A 53 -23.254 8.244 1.182 1.00 0.00 C +ATOM 780 CD GLU A 53 -22.390 8.822 0.059 1.00 0.00 C +ATOM 781 OE1 GLU A 53 -22.926 9.376 -0.912 1.00 0.00 O +ATOM 782 OE2 GLU A 53 -21.119 8.680 0.222 1.00 0.00 O +ATOM 783 H GLU A 53 -26.220 6.540 -0.892 1.00 0.00 H +ATOM 784 HA GLU A 53 -24.033 5.896 0.902 1.00 0.00 H +ATOM 785 HB2 GLU A 53 -24.776 8.276 -0.347 1.00 0.00 H +ATOM 786 HB3 GLU A 53 -25.395 8.493 1.278 1.00 0.00 H +ATOM 787 HG2 GLU A 53 -23.302 8.952 2.010 1.00 0.00 H +ATOM 788 HG3 GLU A 53 -22.796 7.333 1.567 1.00 0.00 H +ATOM 789 N ASP A 54 -25.431 6.409 3.135 1.00 0.00 N +ATOM 790 CA ASP A 54 -26.220 6.169 4.331 1.00 0.00 C +ATOM 791 C ASP A 54 -26.375 7.480 5.105 1.00 0.00 C +ATOM 792 O ASP A 54 -25.714 8.470 4.795 1.00 0.00 O +ATOM 793 CB ASP A 54 -25.535 5.155 5.249 1.00 0.00 C +ATOM 794 CG ASP A 54 -26.343 4.753 6.484 1.00 0.00 C +ATOM 795 OD1 ASP A 54 -27.492 4.221 6.235 1.00 0.00 O +ATOM 796 OD2 ASP A 54 -25.898 4.938 7.627 1.00 0.00 O +ATOM 797 H ASP A 54 -24.519 6.785 3.298 1.00 0.00 H +ATOM 798 HA ASP A 54 -27.174 5.782 3.972 1.00 0.00 H +ATOM 799 HB2 ASP A 54 -25.311 4.258 4.672 1.00 0.00 H +ATOM 800 HB3 ASP A 54 -24.582 5.570 5.576 1.00 0.00 H +ATOM 801 N GLU A 55 -27.251 7.443 6.098 1.00 0.00 N +ATOM 802 CA GLU A 55 -27.500 8.616 6.920 1.00 0.00 C +ATOM 803 C GLU A 55 -27.997 8.198 8.305 1.00 0.00 C +ATOM 804 O GLU A 55 -28.129 7.008 8.588 1.00 0.00 O +ATOM 805 CB GLU A 55 -28.497 9.558 6.242 1.00 0.00 C +ATOM 806 CG GLU A 55 -29.896 8.939 6.200 1.00 0.00 C +ATOM 807 CD GLU A 55 -30.790 9.672 5.198 1.00 0.00 C +ATOM 808 OE1 GLU A 55 -30.690 9.430 3.986 1.00 0.00 O +ATOM 809 OE2 GLU A 55 -31.612 10.519 5.718 1.00 0.00 O +ATOM 810 H GLU A 55 -27.784 6.634 6.344 1.00 0.00 H +ATOM 811 HA GLU A 55 -26.537 9.118 7.008 1.00 0.00 H +ATOM 812 HB2 GLU A 55 -28.530 10.506 6.779 1.00 0.00 H +ATOM 813 HB3 GLU A 55 -28.163 9.779 5.228 1.00 0.00 H +ATOM 814 HG2 GLU A 55 -29.823 7.887 5.927 1.00 0.00 H +ATOM 815 HG3 GLU A 55 -30.345 8.981 7.192 1.00 0.00 H +ATOM 816 N LEU A 56 -28.258 9.199 9.132 1.00 0.00 N +ATOM 817 CA LEU A 56 -28.737 8.950 10.481 1.00 0.00 C +ATOM 818 C LEU A 56 -29.611 10.122 10.932 1.00 0.00 C +ATOM 819 O LEU A 56 -29.822 11.070 10.177 1.00 0.00 O +ATOM 820 CB LEU A 56 -27.565 8.661 11.421 1.00 0.00 C +ATOM 821 CG LEU A 56 -26.888 9.883 12.045 1.00 0.00 C +ATOM 822 CD1 LEU A 56 -26.915 9.803 13.573 1.00 0.00 C +ATOM 823 CD2 LEU A 56 -25.467 10.058 11.505 1.00 0.00 C +ATOM 824 H LEU A 56 -28.148 10.164 8.894 1.00 0.00 H +ATOM 825 HA LEU A 56 -29.354 8.052 10.448 1.00 0.00 H +ATOM 826 HB2 LEU A 56 -27.920 8.016 12.225 1.00 0.00 H +ATOM 827 HB3 LEU A 56 -26.814 8.096 10.869 1.00 0.00 H +ATOM 828 HG LEU A 56 -27.453 10.770 11.759 1.00 0.00 H +ATOM 829 HD11 LEU A 56 -27.944 9.694 13.913 1.00 0.00 H +ATOM 830 HD12 LEU A 56 -26.330 8.944 13.902 1.00 0.00 H +ATOM 831 HD13 LEU A 56 -26.488 10.715 13.991 1.00 0.00 H +ATOM 832 HD21 LEU A 56 -25.495 10.092 10.416 1.00 0.00 H +ATOM 833 HD22 LEU A 56 -25.046 10.988 11.887 1.00 0.00 H +ATOM 834 HD23 LEU A 56 -24.850 9.220 11.827 1.00 0.00 H +ATOM 835 N GLN A 57 -30.097 10.019 12.160 1.00 0.00 N +ATOM 836 CA GLN A 57 -30.944 11.058 12.720 1.00 0.00 C +ATOM 837 C GLN A 57 -31.028 10.912 14.241 1.00 0.00 C +ATOM 838 O GLN A 57 -31.357 9.841 14.748 1.00 0.00 O +ATOM 839 CB GLN A 57 -32.337 11.030 12.089 1.00 0.00 C +ATOM 840 CG GLN A 57 -32.805 9.592 11.857 1.00 0.00 C +ATOM 841 CD GLN A 57 -32.885 9.275 10.362 1.00 0.00 C +ATOM 842 OE1 GLN A 57 -32.077 9.720 9.563 1.00 0.00 O +ATOM 843 NE2 GLN A 57 -33.902 8.485 10.030 1.00 0.00 N +ATOM 844 H GLN A 57 -29.921 9.244 12.768 1.00 0.00 H +ATOM 845 HA GLN A 57 -30.455 11.999 12.465 1.00 0.00 H +ATOM 846 HB2 GLN A 57 -33.045 11.546 12.737 1.00 0.00 H +ATOM 847 HB3 GLN A 57 -32.322 11.568 11.141 1.00 0.00 H +ATOM 848 HG2 GLN A 57 -32.117 8.899 12.343 1.00 0.00 H +ATOM 849 HG3 GLN A 57 -33.782 9.445 12.316 1.00 0.00 H +ATOM 850 HE21 GLN A 57 -34.529 8.154 10.736 1.00 0.00 H +ATOM 851 HE22 GLN A 57 -34.039 8.221 9.076 1.00 0.00 H +ATOM 852 N THR A 58 -30.724 12.005 14.926 1.00 0.00 N +ATOM 853 CA THR A 58 -30.761 12.012 16.378 1.00 0.00 C +ATOM 854 C THR A 58 -32.164 12.367 16.874 1.00 0.00 C +ATOM 855 O THR A 58 -33.114 12.393 16.094 1.00 0.00 O +ATOM 856 CB THR A 58 -29.680 12.975 16.874 1.00 0.00 C +ATOM 857 OG1 THR A 58 -29.915 14.171 16.137 1.00 0.00 O +ATOM 858 CG2 THR A 58 -28.274 12.545 16.449 1.00 0.00 C +ATOM 859 H THR A 58 -30.457 12.872 14.506 1.00 0.00 H +ATOM 860 HA THR A 58 -30.542 11.005 16.733 1.00 0.00 H +ATOM 861 HB THR A 58 -29.738 13.102 17.955 1.00 0.00 H +ATOM 862 HG1 THR A 58 -30.502 14.787 16.663 1.00 0.00 H +ATOM 863 HG21 THR A 58 -28.343 11.685 15.784 1.00 0.00 H +ATOM 864 HG22 THR A 58 -27.784 13.369 15.929 1.00 0.00 H +ATOM 865 HG23 THR A 58 -27.694 12.277 17.332 1.00 0.00 H +ATOM 866 N ASP A 59 -32.250 12.632 18.170 1.00 0.00 N +ATOM 867 CA ASP A 59 -33.521 12.984 18.779 1.00 0.00 C +ATOM 868 C ASP A 59 -33.264 13.782 20.059 1.00 0.00 C +ATOM 869 O ASP A 59 -32.193 13.679 20.655 1.00 0.00 O +ATOM 870 CB ASP A 59 -34.318 11.733 19.153 1.00 0.00 C +ATOM 871 CG ASP A 59 -33.934 11.098 20.491 1.00 0.00 C +ATOM 872 OD1 ASP A 59 -34.113 11.701 21.560 1.00 0.00 O +ATOM 873 OD2 ASP A 59 -33.423 9.916 20.407 1.00 0.00 O +ATOM 874 H ASP A 59 -31.472 12.609 18.798 1.00 0.00 H +ATOM 875 HA ASP A 59 -34.049 13.566 18.024 1.00 0.00 H +ATOM 876 HB2 ASP A 59 -35.377 11.990 19.181 1.00 0.00 H +ATOM 877 HB3 ASP A 59 -34.190 10.990 18.366 1.00 0.00 H +ATOM 878 N GLY A 60 -34.266 14.559 20.445 1.00 0.00 N +ATOM 879 CA GLY A 60 -34.162 15.373 21.644 1.00 0.00 C +ATOM 880 C GLY A 60 -35.330 15.102 22.594 1.00 0.00 C +ATOM 881 O GLY A 60 -35.308 14.132 23.349 1.00 0.00 O +ATOM 882 H GLY A 60 -35.134 14.637 19.955 1.00 0.00 H +ATOM 883 HA2 GLY A 60 -33.220 15.163 22.150 1.00 0.00 H +ATOM 884 HA3 GLY A 60 -34.148 16.429 21.371 1.00 0.00 H +ATOM 885 N SER A 61 -36.322 15.977 22.526 1.00 0.00 N +ATOM 886 CA SER A 61 -37.497 15.844 23.370 1.00 0.00 C +ATOM 887 C SER A 61 -37.189 16.356 24.779 1.00 0.00 C +ATOM 888 O SER A 61 -36.038 16.337 25.213 1.00 0.00 O +ATOM 889 CB SER A 61 -37.974 14.391 23.426 1.00 0.00 C +ATOM 890 OG SER A 61 -37.371 13.672 24.498 1.00 0.00 O +ATOM 891 H SER A 61 -36.333 16.764 21.908 1.00 0.00 H +ATOM 892 HA SER A 61 -38.263 16.459 22.899 1.00 0.00 H +ATOM 893 HB2 SER A 61 -39.058 14.370 23.539 1.00 0.00 H +ATOM 894 HB3 SER A 61 -37.742 13.897 22.483 1.00 0.00 H +ATOM 895 HG SER A 61 -36.479 13.319 24.215 1.00 0.00 H +ATOM 896 N GLN A 62 -38.238 16.802 25.454 1.00 0.00 N +ATOM 897 CA GLN A 62 -38.094 17.318 26.805 1.00 0.00 C +ATOM 898 C GLN A 62 -39.194 16.756 27.708 1.00 0.00 C +ATOM 899 O GLN A 62 -38.916 15.986 28.626 1.00 0.00 O +ATOM 900 CB GLN A 62 -38.108 18.848 26.811 1.00 0.00 C +ATOM 901 CG GLN A 62 -37.471 19.397 28.090 1.00 0.00 C +ATOM 902 CD GLN A 62 -38.467 20.254 28.874 1.00 0.00 C +ATOM 903 OE1 GLN A 62 -39.665 20.024 28.865 1.00 0.00 O +ATOM 904 NE2 GLN A 62 -37.906 21.252 29.551 1.00 0.00 N +ATOM 905 H GLN A 62 -39.171 16.815 25.094 1.00 0.00 H +ATOM 906 HA GLN A 62 -37.120 16.969 27.147 1.00 0.00 H +ATOM 907 HB2 GLN A 62 -37.569 19.224 25.942 1.00 0.00 H +ATOM 908 HB3 GLN A 62 -39.134 19.207 26.729 1.00 0.00 H +ATOM 909 HG2 GLN A 62 -37.127 18.571 28.712 1.00 0.00 H +ATOM 910 HG3 GLN A 62 -36.594 19.992 27.837 1.00 0.00 H +ATOM 911 HE21 GLN A 62 -36.915 21.385 29.516 1.00 0.00 H +ATOM 912 HE22 GLN A 62 -38.475 21.868 30.096 1.00 0.00 H +ATOM 913 N ALA A 63 -40.421 17.164 27.416 1.00 0.00 N +ATOM 914 CA ALA A 63 -41.564 16.710 28.190 1.00 0.00 C +ATOM 915 C ALA A 63 -41.613 15.181 28.171 1.00 0.00 C +ATOM 916 O ALA A 63 -41.768 14.574 27.113 1.00 0.00 O +ATOM 917 CB ALA A 63 -42.841 17.341 27.632 1.00 0.00 C +ATOM 918 H ALA A 63 -40.639 17.790 26.668 1.00 0.00 H +ATOM 919 HA ALA A 63 -41.425 17.048 29.217 1.00 0.00 H +ATOM 920 HB1 ALA A 63 -42.730 18.425 27.609 1.00 0.00 H +ATOM 921 HB2 ALA A 63 -43.018 16.972 26.622 1.00 0.00 H +ATOM 922 HB3 ALA A 63 -43.685 17.076 28.269 1.00 0.00 H +ATOM 923 N SER A 64 -41.478 14.602 29.355 1.00 0.00 N +ATOM 924 CA SER A 64 -41.505 13.155 29.488 1.00 0.00 C +ATOM 925 C SER A 64 -41.675 12.768 30.959 1.00 0.00 C +ATOM 926 O SER A 64 -40.899 13.196 31.811 1.00 0.00 O +ATOM 927 CB SER A 64 -40.232 12.526 28.918 1.00 0.00 C +ATOM 928 OG SER A 64 -40.053 12.840 27.540 1.00 0.00 O +ATOM 929 H SER A 64 -41.352 15.103 30.212 1.00 0.00 H +ATOM 930 HA SER A 64 -42.365 12.828 28.904 1.00 0.00 H +ATOM 931 HB2 SER A 64 -39.369 12.876 29.485 1.00 0.00 H +ATOM 932 HB3 SER A 64 -40.277 11.444 29.041 1.00 0.00 H +ATOM 933 HG SER A 64 -40.922 12.754 27.053 1.00 0.00 H +ATOM 934 N ARG A 65 -42.697 11.962 31.211 1.00 0.00 N +ATOM 935 CA ARG A 65 -42.979 11.512 32.563 1.00 0.00 C +ATOM 936 C ARG A 65 -42.273 10.183 32.839 1.00 0.00 C +ATOM 937 O ARG A 65 -42.142 9.349 31.945 1.00 0.00 O +ATOM 938 CB ARG A 65 -44.483 11.338 32.783 1.00 0.00 C +ATOM 939 CG ARG A 65 -44.791 11.029 34.250 1.00 0.00 C +ATOM 940 CD ARG A 65 -46.300 10.980 34.495 1.00 0.00 C +ATOM 941 NE ARG A 65 -46.805 9.607 34.268 1.00 0.00 N +ATOM 942 CZ ARG A 65 -47.184 9.130 33.064 1.00 0.00 C +ATOM 943 NH1 ARG A 65 -47.118 9.911 31.965 1.00 0.00 N +ATOM 944 NH2 ARG A 65 -47.620 7.887 32.977 1.00 0.00 N +ATOM 945 H ARG A 65 -43.323 11.618 30.511 1.00 0.00 H +ATOM 946 HA ARG A 65 -42.592 12.303 33.206 1.00 0.00 H +ATOM 947 HB2 ARG A 65 -45.006 12.246 32.482 1.00 0.00 H +ATOM 948 HB3 ARG A 65 -44.855 10.531 32.152 1.00 0.00 H +ATOM 949 HG2 ARG A 65 -44.342 10.074 34.526 1.00 0.00 H +ATOM 950 HG3 ARG A 65 -44.340 11.789 34.887 1.00 0.00 H +ATOM 951 HD2 ARG A 65 -46.522 11.294 35.514 1.00 0.00 H +ATOM 952 HD3 ARG A 65 -46.808 11.678 33.829 1.00 0.00 H +ATOM 953 HE ARG A 65 -46.870 8.996 35.056 1.00 0.00 H +ATOM 954 HH22 ARG A 65 -47.920 7.457 32.124 1.00 0.00 H +ATOM 955 N SER A 66 -41.836 10.028 34.080 1.00 0.00 N +ATOM 956 CA SER A 66 -41.147 8.814 34.485 1.00 0.00 C +ATOM 957 C SER A 66 -41.753 7.605 33.770 1.00 0.00 C +ATOM 958 O SER A 66 -42.849 7.163 34.111 1.00 0.00 O +ATOM 959 CB SER A 66 -41.214 8.623 36.001 1.00 0.00 C +ATOM 960 OG SER A 66 -42.512 8.223 36.432 1.00 0.00 O +ATOM 961 H SER A 66 -41.947 10.712 34.802 1.00 0.00 H +ATOM 962 HA SER A 66 -40.110 8.957 34.182 1.00 0.00 H +ATOM 963 HB2 SER A 66 -40.484 7.872 36.304 1.00 0.00 H +ATOM 964 HB3 SER A 66 -40.938 9.553 36.497 1.00 0.00 H +ATOM 965 HG SER A 66 -42.521 8.104 37.425 1.00 0.00 H +ATOM 966 N PHE A 67 -41.013 7.104 32.791 1.00 0.00 N +ATOM 967 CA PHE A 67 -41.464 5.955 32.025 1.00 0.00 C +ATOM 968 C PHE A 67 -40.415 5.538 30.993 1.00 0.00 C +ATOM 969 O PHE A 67 -40.385 6.069 29.883 1.00 0.00 O +ATOM 970 CB PHE A 67 -42.741 6.377 31.295 1.00 0.00 C +ATOM 971 CG PHE A 67 -43.467 5.226 30.595 1.00 0.00 C +ATOM 972 CD1 PHE A 67 -44.191 4.335 31.324 1.00 0.00 C +ATOM 973 CD2 PHE A 67 -43.388 5.094 29.244 1.00 0.00 C +ATOM 974 CE1 PHE A 67 -44.864 3.267 30.675 1.00 0.00 C +ATOM 975 CE2 PHE A 67 -44.061 4.026 28.594 1.00 0.00 C +ATOM 976 CZ PHE A 67 -44.785 3.135 29.323 1.00 0.00 C +ATOM 977 H PHE A 67 -40.123 7.470 32.520 1.00 0.00 H +ATOM 978 HA PHE A 67 -41.622 5.138 32.730 1.00 0.00 H +ATOM 979 HB2 PHE A 67 -43.421 6.839 32.011 1.00 0.00 H +ATOM 980 HB3 PHE A 67 -42.490 7.138 30.556 1.00 0.00 H +ATOM 981 HD1 PHE A 67 -44.254 4.440 32.407 1.00 0.00 H +ATOM 982 HD2 PHE A 67 -42.807 5.808 28.660 1.00 0.00 H +ATOM 983 HE1 PHE A 67 -45.444 2.552 31.259 1.00 0.00 H +ATOM 984 HE2 PHE A 67 -43.998 3.920 27.511 1.00 0.00 H +ATOM 985 HZ PHE A 67 -45.302 2.315 28.825 1.00 0.00 H +ATOM 986 N ASN A 68 -39.579 4.592 31.395 1.00 0.00 N +ATOM 987 CA ASN A 68 -38.530 4.098 30.518 1.00 0.00 C +ATOM 988 C ASN A 68 -37.670 3.087 31.278 1.00 0.00 C +ATOM 989 O ASN A 68 -37.620 3.109 32.507 1.00 0.00 O +ATOM 990 CB ASN A 68 -37.621 5.237 30.052 1.00 0.00 C +ATOM 991 CG ASN A 68 -37.990 5.689 28.638 1.00 0.00 C +ATOM 992 OD1 ASN A 68 -38.970 5.255 28.055 1.00 0.00 O +ATOM 993 ND2 ASN A 68 -37.153 6.584 28.120 1.00 0.00 N +ATOM 994 H ASN A 68 -39.609 4.166 32.299 1.00 0.00 H +ATOM 995 HA ASN A 68 -39.052 3.650 29.672 1.00 0.00 H +ATOM 996 HB2 ASN A 68 -37.703 6.078 30.740 1.00 0.00 H +ATOM 997 HB3 ASN A 68 -36.581 4.908 30.072 1.00 0.00 H +ATOM 998 HD21 ASN A 68 -36.367 6.899 28.652 1.00 0.00 H +ATOM 999 HD22 ASN A 68 -37.310 6.941 27.199 1.00 0.00 H +ATOM 1000 N GLN A 69 -37.014 2.224 30.516 1.00 0.00 N +ATOM 1001 CA GLN A 69 -36.159 1.207 31.102 1.00 0.00 C +ATOM 1002 C GLN A 69 -35.433 0.427 30.004 1.00 0.00 C +ATOM 1003 O GLN A 69 -35.772 -0.723 29.727 1.00 0.00 O +ATOM 1004 CB GLN A 69 -36.963 0.267 32.003 1.00 0.00 C +ATOM 1005 CG GLN A 69 -36.449 0.315 33.443 1.00 0.00 C +ATOM 1006 CD GLN A 69 -37.163 -0.720 34.315 1.00 0.00 C +ATOM 1007 OE1 GLN A 69 -37.616 -1.753 33.851 1.00 0.00 O +ATOM 1008 NE2 GLN A 69 -37.237 -0.386 35.600 1.00 0.00 N +ATOM 1009 H GLN A 69 -37.060 2.213 29.517 1.00 0.00 H +ATOM 1010 HA GLN A 69 -35.435 1.751 31.709 1.00 0.00 H +ATOM 1011 HB2 GLN A 69 -38.016 0.547 31.979 1.00 0.00 H +ATOM 1012 HB3 GLN A 69 -36.895 -0.752 31.623 1.00 0.00 H +ATOM 1013 HG2 GLN A 69 -35.375 0.129 33.456 1.00 0.00 H +ATOM 1014 HG3 GLN A 69 -36.604 1.312 33.855 1.00 0.00 H +ATOM 1015 HE21 GLN A 69 -36.844 0.478 35.916 1.00 0.00 H +ATOM 1016 HE22 GLN A 69 -37.686 -0.998 36.251 1.00 0.00 H +ATOM 1017 N GLY A 70 -34.447 1.083 29.409 1.00 0.00 N +ATOM 1018 CA GLY A 70 -33.671 0.465 28.348 1.00 0.00 C +ATOM 1019 C GLY A 70 -32.826 1.505 27.610 1.00 0.00 C +ATOM 1020 O GLY A 70 -33.325 2.568 27.243 1.00 0.00 O +ATOM 1021 H GLY A 70 -34.178 2.017 29.641 1.00 0.00 H +ATOM 1022 HA2 GLY A 70 -33.022 -0.304 28.768 1.00 0.00 H +ATOM 1023 HA3 GLY A 70 -34.340 -0.032 27.645 1.00 0.00 H +ATOM 1024 N ARG A 71 -31.562 1.162 27.413 1.00 0.00 N +ATOM 1025 CA ARG A 71 -30.643 2.054 26.725 1.00 0.00 C +ATOM 1026 C ARG A 71 -29.584 1.246 25.972 1.00 0.00 C +ATOM 1027 O ARG A 71 -28.397 1.565 26.031 1.00 0.00 O +ATOM 1028 CB ARG A 71 -29.950 2.998 27.710 1.00 0.00 C +ATOM 1029 CG ARG A 71 -29.893 4.423 27.155 1.00 0.00 C +ATOM 1030 CD ARG A 71 -28.457 4.951 27.147 1.00 0.00 C +ATOM 1031 NE ARG A 71 -28.008 5.216 28.532 1.00 0.00 N +ATOM 1032 CZ ARG A 71 -28.308 6.336 29.224 1.00 0.00 C +ATOM 1033 NH1 ARG A 71 -29.061 7.306 28.665 1.00 0.00 N +ATOM 1034 NH2 ARG A 71 -27.853 6.467 30.457 1.00 0.00 N +ATOM 1035 H ARG A 71 -31.164 0.296 27.714 1.00 0.00 H +ATOM 1036 HA ARG A 71 -31.269 2.620 26.035 1.00 0.00 H +ATOM 1037 HB2 ARG A 71 -30.485 2.995 28.659 1.00 0.00 H +ATOM 1038 HB3 ARG A 71 -28.940 2.642 27.911 1.00 0.00 H +ATOM 1039 HG2 ARG A 71 -30.296 4.439 26.142 1.00 0.00 H +ATOM 1040 HG3 ARG A 71 -30.522 5.077 27.759 1.00 0.00 H +ATOM 1041 HD2 ARG A 71 -27.796 4.225 26.674 1.00 0.00 H +ATOM 1042 HD3 ARG A 71 -28.401 5.866 26.557 1.00 0.00 H +ATOM 1043 HE ARG A 71 -27.447 4.522 28.984 1.00 0.00 H +ATOM 1044 HH22 ARG A 71 -28.029 7.264 31.035 1.00 0.00 H +ATOM 1045 N ILE A 72 -30.051 0.216 25.282 1.00 0.00 N +ATOM 1046 CA ILE A 72 -29.158 -0.640 24.519 1.00 0.00 C +ATOM 1047 C ILE A 72 -28.998 -0.072 23.107 1.00 0.00 C +ATOM 1048 O ILE A 72 -29.931 0.516 22.561 1.00 0.00 O +ATOM 1049 CB ILE A 72 -29.651 -2.088 24.547 1.00 0.00 C +ATOM 1050 CG1 ILE A 72 -29.517 -2.686 25.949 1.00 0.00 C +ATOM 1051 CG2 ILE A 72 -28.931 -2.932 23.493 1.00 0.00 C +ATOM 1052 CD1 ILE A 72 -30.880 -2.780 26.637 1.00 0.00 C +ATOM 1053 H ILE A 72 -31.017 -0.037 25.239 1.00 0.00 H +ATOM 1054 HA ILE A 72 -28.186 -0.620 25.011 1.00 0.00 H +ATOM 1055 HB ILE A 72 -30.711 -2.093 24.295 1.00 0.00 H +ATOM 1056 HG12 ILE A 72 -29.069 -3.677 25.884 1.00 0.00 H +ATOM 1057 HG13 ILE A 72 -28.845 -2.071 26.547 1.00 0.00 H +ATOM 1058 HG21 ILE A 72 -29.086 -2.492 22.508 1.00 0.00 H +ATOM 1059 HG22 ILE A 72 -27.865 -2.959 23.715 1.00 0.00 H +ATOM 1060 HG23 ILE A 72 -29.331 -3.946 23.505 1.00 0.00 H +ATOM 1061 HD11 ILE A 72 -31.629 -3.106 25.916 1.00 0.00 H +ATOM 1062 HD12 ILE A 72 -30.825 -3.498 27.455 1.00 0.00 H +ATOM 1063 HD13 ILE A 72 -31.156 -1.802 27.031 1.00 0.00 H +ATOM 1064 N GLU A 73 -27.809 -0.268 22.556 1.00 0.00 N +ATOM 1065 CA GLU A 73 -27.515 0.217 21.218 1.00 0.00 C +ATOM 1066 C GLU A 73 -27.687 -0.908 20.196 1.00 0.00 C +ATOM 1067 O GLU A 73 -27.648 -2.085 20.550 1.00 0.00 O +ATOM 1068 CB GLU A 73 -26.107 0.812 21.148 1.00 0.00 C +ATOM 1069 CG GLU A 73 -26.161 2.320 20.894 1.00 0.00 C +ATOM 1070 CD GLU A 73 -26.341 3.090 22.204 1.00 0.00 C +ATOM 1071 OE1 GLU A 73 -27.071 2.633 23.096 1.00 0.00 O +ATOM 1072 OE2 GLU A 73 -25.690 4.201 22.277 1.00 0.00 O +ATOM 1073 H GLU A 73 -27.056 -0.747 23.007 1.00 0.00 H +ATOM 1074 HA GLU A 73 -28.245 1.004 21.029 1.00 0.00 H +ATOM 1075 HB2 GLU A 73 -25.578 0.615 22.080 1.00 0.00 H +ATOM 1076 HB3 GLU A 73 -25.543 0.325 20.353 1.00 0.00 H +ATOM 1077 HG2 GLU A 73 -25.243 2.642 20.402 1.00 0.00 H +ATOM 1078 HG3 GLU A 73 -26.983 2.549 20.217 1.00 0.00 H +ATOM 1079 N PRO A 74 -27.879 -0.495 18.914 1.00 0.00 N +ATOM 1080 CA PRO A 74 -28.057 -1.455 17.838 1.00 0.00 C +ATOM 1081 C PRO A 74 -26.727 -2.112 17.464 1.00 0.00 C +ATOM 1082 O PRO A 74 -25.661 -1.554 17.719 1.00 0.00 O +ATOM 1083 CB PRO A 74 -28.667 -0.658 16.697 1.00 0.00 C +ATOM 1084 CG PRO A 74 -28.380 0.802 17.008 1.00 0.00 C +ATOM 1085 CD PRO A 74 -27.932 0.890 18.457 1.00 0.00 C +ATOM 1086 HA PRO A 74 -28.657 -2.200 18.132 1.00 0.00 H +ATOM 1087 HB2 PRO A 74 -28.231 -0.947 15.741 1.00 0.00 H +ATOM 1088 HB3 PRO A 74 -29.740 -0.838 16.624 1.00 0.00 H +ATOM 1089 HG2 PRO A 74 -27.605 1.188 16.344 1.00 0.00 H +ATOM 1090 HG3 PRO A 74 -29.270 1.409 16.845 1.00 0.00 H +ATOM 1091 HD2 PRO A 74 -26.958 1.372 18.542 1.00 0.00 H +ATOM 1092 HD3 PRO A 74 -28.631 1.477 19.053 1.00 0.00 H +ATOM 1093 N ASP A 75 -26.833 -3.289 16.865 1.00 0.00 N +ATOM 1094 CA ASP A 75 -25.652 -4.029 16.453 1.00 0.00 C +ATOM 1095 C ASP A 75 -26.024 -4.985 15.318 1.00 0.00 C +ATOM 1096 O ASP A 75 -26.752 -5.953 15.530 1.00 0.00 O +ATOM 1097 CB ASP A 75 -25.093 -4.861 17.608 1.00 0.00 C +ATOM 1098 CG ASP A 75 -24.744 -4.067 18.868 1.00 0.00 C +ATOM 1099 OD1 ASP A 75 -23.892 -3.166 18.840 1.00 0.00 O +ATOM 1100 OD2 ASP A 75 -25.397 -4.409 19.927 1.00 0.00 O +ATOM 1101 H ASP A 75 -27.704 -3.737 16.660 1.00 0.00 H +ATOM 1102 HA ASP A 75 -24.934 -3.270 16.141 1.00 0.00 H +ATOM 1103 HB2 ASP A 75 -25.822 -5.628 17.870 1.00 0.00 H +ATOM 1104 HB3 ASP A 75 -24.197 -5.378 17.263 1.00 0.00 H +ATOM 1105 N SER A 76 -25.507 -4.679 14.136 1.00 0.00 N +ATOM 1106 CA SER A 76 -25.776 -5.500 12.968 1.00 0.00 C +ATOM 1107 C SER A 76 -24.578 -5.463 12.016 1.00 0.00 C +ATOM 1108 O SER A 76 -24.162 -4.392 11.577 1.00 0.00 O +ATOM 1109 CB SER A 76 -27.041 -5.032 12.246 1.00 0.00 C +ATOM 1110 OG SER A 76 -28.160 -5.865 12.537 1.00 0.00 O +ATOM 1111 H SER A 76 -24.916 -3.890 13.972 1.00 0.00 H +ATOM 1112 HA SER A 76 -25.929 -6.508 13.352 1.00 0.00 H +ATOM 1113 HB2 SER A 76 -27.267 -4.006 12.538 1.00 0.00 H +ATOM 1114 HB3 SER A 76 -26.864 -5.026 11.170 1.00 0.00 H +ATOM 1115 HG SER A 76 -28.475 -5.700 13.472 1.00 0.00 H +ATOM 1116 N GLU A 77 -24.057 -6.646 11.726 1.00 0.00 N +ATOM 1117 CA GLU A 77 -22.916 -6.763 10.835 1.00 0.00 C +ATOM 1118 C GLU A 77 -23.280 -7.610 9.614 1.00 0.00 C +ATOM 1119 O GLU A 77 -23.642 -8.778 9.750 1.00 0.00 O +ATOM 1120 CB GLU A 77 -21.706 -7.348 11.567 1.00 0.00 C +ATOM 1121 CG GLU A 77 -22.118 -8.524 12.454 1.00 0.00 C +ATOM 1122 CD GLU A 77 -22.366 -8.066 13.892 1.00 0.00 C +ATOM 1123 OE1 GLU A 77 -21.307 -7.961 14.622 1.00 0.00 O +ATOM 1124 OE2 GLU A 77 -23.521 -7.827 14.277 1.00 0.00 O +ATOM 1125 H GLU A 77 -24.402 -7.513 12.087 1.00 0.00 H +ATOM 1126 HA GLU A 77 -22.686 -5.744 10.523 1.00 0.00 H +ATOM 1127 HB2 GLU A 77 -20.962 -7.678 10.842 1.00 0.00 H +ATOM 1128 HB3 GLU A 77 -21.237 -6.575 12.176 1.00 0.00 H +ATOM 1129 HG2 GLU A 77 -23.021 -8.986 12.055 1.00 0.00 H +ATOM 1130 HG3 GLU A 77 -21.338 -9.285 12.441 1.00 0.00 H +ATOM 1131 N SER A 78 -23.171 -6.989 8.449 1.00 0.00 N +ATOM 1132 CA SER A 78 -23.484 -7.672 7.205 1.00 0.00 C +ATOM 1133 C SER A 78 -22.878 -6.911 6.023 1.00 0.00 C +ATOM 1134 O SER A 78 -23.409 -5.884 5.603 1.00 0.00 O +ATOM 1135 CB SER A 78 -24.996 -7.818 7.022 1.00 0.00 C +ATOM 1136 OG SER A 78 -25.339 -8.203 5.694 1.00 0.00 O +ATOM 1137 H SER A 78 -22.875 -6.039 8.347 1.00 0.00 H +ATOM 1138 HA SER A 78 -23.032 -8.660 7.296 1.00 0.00 H +ATOM 1139 HB2 SER A 78 -25.376 -8.560 7.724 1.00 0.00 H +ATOM 1140 HB3 SER A 78 -25.483 -6.873 7.263 1.00 0.00 H +ATOM 1141 HG SER A 78 -25.128 -7.461 5.057 1.00 0.00 H +ATOM 1142 N GLN A 79 -21.774 -7.444 5.521 1.00 0.00 N +ATOM 1143 CA GLN A 79 -21.090 -6.829 4.397 1.00 0.00 C +ATOM 1144 C GLN A 79 -20.718 -7.888 3.357 1.00 0.00 C +ATOM 1145 O GLN A 79 -20.027 -8.856 3.671 1.00 0.00 O +ATOM 1146 CB GLN A 79 -19.852 -6.059 4.862 1.00 0.00 C +ATOM 1147 CG GLN A 79 -20.013 -4.559 4.611 1.00 0.00 C +ATOM 1148 CD GLN A 79 -20.189 -4.268 3.120 1.00 0.00 C +ATOM 1149 OE1 GLN A 79 -19.512 -4.821 2.269 1.00 0.00 O +ATOM 1150 NE2 GLN A 79 -21.135 -3.373 2.851 1.00 0.00 N +ATOM 1151 H GLN A 79 -21.348 -8.280 5.869 1.00 0.00 H +ATOM 1152 HA GLN A 79 -21.807 -6.127 3.970 1.00 0.00 H +ATOM 1153 HB2 GLN A 79 -19.687 -6.238 5.925 1.00 0.00 H +ATOM 1154 HB3 GLN A 79 -18.971 -6.428 4.336 1.00 0.00 H +ATOM 1155 HG2 GLN A 79 -20.875 -4.184 5.163 1.00 0.00 H +ATOM 1156 HG3 GLN A 79 -19.138 -4.028 4.988 1.00 0.00 H +ATOM 1157 HE21 GLN A 79 -21.656 -2.956 3.597 1.00 0.00 H +ATOM 1158 HE22 GLN A 79 -21.326 -3.116 1.904 1.00 0.00 H +ATOM 1159 N GLU A 80 -21.193 -7.668 2.140 1.00 0.00 N +ATOM 1160 CA GLU A 80 -20.919 -8.592 1.052 1.00 0.00 C +ATOM 1161 C GLU A 80 -19.504 -8.374 0.514 1.00 0.00 C +ATOM 1162 O GLU A 80 -18.906 -7.322 0.737 1.00 0.00 O +ATOM 1163 CB GLU A 80 -21.958 -8.449 -0.063 1.00 0.00 C +ATOM 1164 CG GLU A 80 -22.892 -9.660 -0.100 1.00 0.00 C +ATOM 1165 CD GLU A 80 -24.139 -9.365 -0.937 1.00 0.00 C +ATOM 1166 OE1 GLU A 80 -24.507 -8.193 -1.109 1.00 0.00 O +ATOM 1167 OE2 GLU A 80 -24.730 -10.404 -1.419 1.00 0.00 O +ATOM 1168 H GLU A 80 -21.754 -6.878 1.892 1.00 0.00 H +ATOM 1169 HA GLU A 80 -21.000 -9.587 1.489 1.00 0.00 H +ATOM 1170 HB2 GLU A 80 -22.539 -7.540 0.091 1.00 0.00 H +ATOM 1171 HB3 GLU A 80 -21.453 -8.345 -1.024 1.00 0.00 H +ATOM 1172 HG2 GLU A 80 -22.365 -10.518 -0.516 1.00 0.00 H +ATOM 1173 HG3 GLU A 80 -23.187 -9.927 0.915 1.00 0.00 H +ATOM 1174 N GLU A 81 -19.008 -9.385 -0.184 1.00 0.00 N +ATOM 1175 CA GLU A 81 -17.674 -9.317 -0.756 1.00 0.00 C +ATOM 1176 C GLU A 81 -16.622 -9.289 0.355 1.00 0.00 C +ATOM 1177 O GLU A 81 -16.569 -8.345 1.141 1.00 0.00 O +ATOM 1178 CB GLU A 81 -17.533 -8.102 -1.675 1.00 0.00 C +ATOM 1179 CG GLU A 81 -17.847 -8.474 -3.126 1.00 0.00 C +ATOM 1180 CD GLU A 81 -19.205 -7.913 -3.553 1.00 0.00 C +ATOM 1181 OE1 GLU A 81 -20.166 -7.951 -2.771 1.00 0.00 O +ATOM 1182 OE2 GLU A 81 -19.242 -7.422 -4.746 1.00 0.00 O +ATOM 1183 H GLU A 81 -19.501 -10.237 -0.361 1.00 0.00 H +ATOM 1184 HA GLU A 81 -17.565 -10.227 -1.346 1.00 0.00 H +ATOM 1185 HB2 GLU A 81 -18.205 -7.311 -1.345 1.00 0.00 H +ATOM 1186 HB3 GLU A 81 -16.519 -7.707 -1.609 1.00 0.00 H +ATOM 1187 HG2 GLU A 81 -17.067 -8.087 -3.782 1.00 0.00 H +ATOM 1188 HG3 GLU A 81 -17.847 -9.558 -3.236 1.00 0.00 H +ATOM 1189 N ILE A 82 -15.810 -10.336 0.383 1.00 0.00 N +ATOM 1190 CA ILE A 82 -14.762 -10.443 1.384 1.00 0.00 C +ATOM 1191 C ILE A 82 -13.431 -10.003 0.772 1.00 0.00 C +ATOM 1192 O ILE A 82 -12.616 -9.370 1.441 1.00 0.00 O +ATOM 1193 CB ILE A 82 -14.730 -11.853 1.977 1.00 0.00 C +ATOM 1194 CG1 ILE A 82 -14.899 -12.911 0.884 1.00 0.00 C +ATOM 1195 CG2 ILE A 82 -15.770 -12.005 3.088 1.00 0.00 C +ATOM 1196 CD1 ILE A 82 -14.300 -14.250 1.320 1.00 0.00 C +ATOM 1197 H ILE A 82 -15.860 -11.100 -0.260 1.00 0.00 H +ATOM 1198 HA ILE A 82 -15.013 -9.759 2.195 1.00 0.00 H +ATOM 1199 HB ILE A 82 -13.751 -12.011 2.429 1.00 0.00 H +ATOM 1200 HG12 ILE A 82 -15.958 -13.039 0.658 1.00 0.00 H +ATOM 1201 HG13 ILE A 82 -14.416 -12.573 -0.032 1.00 0.00 H +ATOM 1202 HG21 ILE A 82 -16.687 -11.490 2.801 1.00 0.00 H +ATOM 1203 HG22 ILE A 82 -15.983 -13.063 3.245 1.00 0.00 H +ATOM 1204 HG23 ILE A 82 -15.383 -11.572 4.010 1.00 0.00 H +ATOM 1205 HD11 ILE A 82 -14.595 -14.463 2.347 1.00 0.00 H +ATOM 1206 HD12 ILE A 82 -14.665 -15.041 0.665 1.00 0.00 H +ATOM 1207 HD13 ILE A 82 -13.213 -14.199 1.257 1.00 0.00 H +ATOM 1208 N ILE A 83 -13.253 -10.355 -0.492 1.00 0.00 N +ATOM 1209 CA ILE A 83 -12.034 -10.003 -1.202 1.00 0.00 C +ATOM 1210 C ILE A 83 -11.784 -8.500 -1.064 1.00 0.00 C +ATOM 1211 O ILE A 83 -10.725 -8.084 -0.598 1.00 0.00 O +ATOM 1212 CB ILE A 83 -12.102 -10.485 -2.653 1.00 0.00 C +ATOM 1213 CG1 ILE A 83 -11.265 -11.750 -2.850 1.00 0.00 C +ATOM 1214 CG2 ILE A 83 -11.693 -9.371 -3.620 1.00 0.00 C +ATOM 1215 CD1 ILE A 83 -12.130 -13.006 -2.718 1.00 0.00 C +ATOM 1216 H ILE A 83 -13.921 -10.869 -1.029 1.00 0.00 H +ATOM 1217 HA ILE A 83 -11.212 -10.536 -0.724 1.00 0.00 H +ATOM 1218 HB ILE A 83 -13.136 -10.744 -2.879 1.00 0.00 H +ATOM 1219 HG12 ILE A 83 -10.794 -11.730 -3.833 1.00 0.00 H +ATOM 1220 HG13 ILE A 83 -10.462 -11.778 -2.113 1.00 0.00 H +ATOM 1221 HG21 ILE A 83 -10.810 -8.862 -3.235 1.00 0.00 H +ATOM 1222 HG22 ILE A 83 -11.468 -9.802 -4.595 1.00 0.00 H +ATOM 1223 HG23 ILE A 83 -12.511 -8.657 -3.717 1.00 0.00 H +ATOM 1224 HD11 ILE A 83 -13.178 -12.718 -2.634 1.00 0.00 H +ATOM 1225 HD12 ILE A 83 -11.995 -13.634 -3.598 1.00 0.00 H +ATOM 1226 HD13 ILE A 83 -11.833 -13.559 -1.827 1.00 0.00 H +ATOM 1227 N HIS A 84 -12.778 -7.727 -1.477 1.00 0.00 N +ATOM 1228 CA HIS A 84 -12.679 -6.279 -1.406 1.00 0.00 C +ATOM 1229 C HIS A 84 -12.345 -5.858 0.027 1.00 0.00 C +ATOM 1230 O HIS A 84 -11.559 -4.936 0.239 1.00 0.00 O +ATOM 1231 CB HIS A 84 -13.954 -5.620 -1.936 1.00 0.00 C +ATOM 1232 CG HIS A 84 -14.112 -5.707 -3.435 1.00 0.00 C +ATOM 1233 ND1 HIS A 84 -14.225 -6.910 -4.109 1.00 0.00 N +ATOM 1234 CD2 HIS A 84 -14.176 -4.727 -4.382 1.00 0.00 C +ATOM 1235 CE1 HIS A 84 -14.349 -6.655 -5.403 1.00 0.00 C +ATOM 1236 NE2 HIS A 84 -14.318 -5.301 -5.570 1.00 0.00 N +ATOM 1237 H HIS A 84 -13.636 -8.074 -1.855 1.00 0.00 H +ATOM 1238 HA HIS A 84 -11.857 -5.989 -2.061 1.00 0.00 H +ATOM 1239 HB2 HIS A 84 -14.816 -6.089 -1.462 1.00 0.00 H +ATOM 1240 HB3 HIS A 84 -13.958 -4.571 -1.640 1.00 0.00 H +ATOM 1241 HD1 HIS A 84 -14.214 -7.818 -3.690 1.00 0.00 H +ATOM 1242 HD2 HIS A 84 -14.119 -3.655 -4.195 1.00 0.00 H +ATOM 1243 HE1 HIS A 84 -14.458 -7.396 -6.195 1.00 0.00 H +ATOM 1244 N ASN A 85 -12.959 -6.554 0.972 1.00 0.00 N +ATOM 1245 CA ASN A 85 -12.737 -6.263 2.379 1.00 0.00 C +ATOM 1246 C ASN A 85 -11.236 -6.307 2.673 1.00 0.00 C +ATOM 1247 O ASN A 85 -10.711 -5.436 3.365 1.00 0.00 O +ATOM 1248 CB ASN A 85 -13.424 -7.300 3.270 1.00 0.00 C +ATOM 1249 CG ASN A 85 -14.013 -6.643 4.520 1.00 0.00 C +ATOM 1250 OD1 ASN A 85 -13.522 -6.802 5.626 1.00 0.00 O +ATOM 1251 ND2 ASN A 85 -15.090 -5.900 4.284 1.00 0.00 N +ATOM 1252 H ASN A 85 -13.597 -7.302 0.791 1.00 0.00 H +ATOM 1253 HA ASN A 85 -13.165 -5.274 2.538 1.00 0.00 H +ATOM 1254 HB2 ASN A 85 -14.215 -7.799 2.710 1.00 0.00 H +ATOM 1255 HB3 ASN A 85 -12.707 -8.067 3.561 1.00 0.00 H +ATOM 1256 HD21 ASN A 85 -15.442 -5.811 3.353 1.00 0.00 H +ATOM 1257 HD22 ASN A 85 -15.548 -5.429 5.039 1.00 0.00 H +ATOM 1258 N ILE A 86 -10.589 -7.329 2.134 1.00 0.00 N +ATOM 1259 CA ILE A 86 -9.160 -7.498 2.330 1.00 0.00 C +ATOM 1260 C ILE A 86 -8.423 -6.292 1.743 1.00 0.00 C +ATOM 1261 O ILE A 86 -7.405 -5.859 2.281 1.00 0.00 O +ATOM 1262 CB ILE A 86 -8.695 -8.839 1.761 1.00 0.00 C +ATOM 1263 CG1 ILE A 86 -7.721 -9.533 2.716 1.00 0.00 C +ATOM 1264 CG2 ILE A 86 -8.099 -8.665 0.362 1.00 0.00 C +ATOM 1265 CD1 ILE A 86 -8.463 -10.144 3.906 1.00 0.00 C +ATOM 1266 H ILE A 86 -11.025 -8.033 1.572 1.00 0.00 H +ATOM 1267 HA ILE A 86 -8.978 -7.523 3.404 1.00 0.00 H +ATOM 1268 HB ILE A 86 -9.565 -9.488 1.661 1.00 0.00 H +ATOM 1269 HG12 ILE A 86 -7.176 -10.312 2.183 1.00 0.00 H +ATOM 1270 HG13 ILE A 86 -6.983 -8.815 3.073 1.00 0.00 H +ATOM 1271 HG21 ILE A 86 -8.620 -7.860 -0.157 1.00 0.00 H +ATOM 1272 HG22 ILE A 86 -7.041 -8.418 0.446 1.00 0.00 H +ATOM 1273 HG23 ILE A 86 -8.213 -9.592 -0.199 1.00 0.00 H +ATOM 1274 HD11 ILE A 86 -9.463 -9.717 3.969 1.00 0.00 H +ATOM 1275 HD12 ILE A 86 -8.536 -11.224 3.773 1.00 0.00 H +ATOM 1276 HD13 ILE A 86 -7.917 -9.928 4.824 1.00 0.00 H +ATOM 1277 N ALA A 87 -8.966 -5.784 0.646 1.00 0.00 N +ATOM 1278 CA ALA A 87 -8.373 -4.637 -0.020 1.00 0.00 C +ATOM 1279 C ALA A 87 -8.279 -3.472 0.967 1.00 0.00 C +ATOM 1280 O ALA A 87 -7.190 -2.964 1.232 1.00 0.00 O +ATOM 1281 CB ALA A 87 -9.196 -4.285 -1.261 1.00 0.00 C +ATOM 1282 H ALA A 87 -9.794 -6.142 0.214 1.00 0.00 H +ATOM 1283 HA ALA A 87 -7.368 -4.918 -0.334 1.00 0.00 H +ATOM 1284 HB1 ALA A 87 -10.053 -4.956 -1.331 1.00 0.00 H +ATOM 1285 HB2 ALA A 87 -9.546 -3.256 -1.185 1.00 0.00 H +ATOM 1286 HB3 ALA A 87 -8.577 -4.394 -2.151 1.00 0.00 H +ATOM 1287 N ARG A 88 -9.435 -3.081 1.484 1.00 0.00 N +ATOM 1288 CA ARG A 88 -9.496 -1.985 2.436 1.00 0.00 C +ATOM 1289 C ARG A 88 -8.746 -2.353 3.717 1.00 0.00 C +ATOM 1290 O ARG A 88 -8.090 -1.505 4.322 1.00 0.00 O +ATOM 1291 CB ARG A 88 -10.946 -1.638 2.782 1.00 0.00 C +ATOM 1292 CG ARG A 88 -11.455 -2.503 3.937 1.00 0.00 C +ATOM 1293 CD ARG A 88 -12.845 -2.051 4.389 1.00 0.00 C +ATOM 1294 NE ARG A 88 -12.968 -2.184 5.858 1.00 0.00 N +ATOM 1295 CZ ARG A 88 -13.881 -1.527 6.604 1.00 0.00 C +ATOM 1296 NH1 ARG A 88 -14.760 -0.682 6.024 1.00 0.00 N +ATOM 1297 NH2 ARG A 88 -13.900 -1.722 7.909 1.00 0.00 N +ATOM 1298 H ARG A 88 -10.316 -3.499 1.263 1.00 0.00 H +ATOM 1299 HA ARG A 88 -9.018 -1.148 1.928 1.00 0.00 H +ATOM 1300 HB2 ARG A 88 -11.016 -0.585 3.054 1.00 0.00 H +ATOM 1301 HB3 ARG A 88 -11.578 -1.784 1.907 1.00 0.00 H +ATOM 1302 HG2 ARG A 88 -11.493 -3.547 3.624 1.00 0.00 H +ATOM 1303 HG3 ARG A 88 -10.760 -2.446 4.774 1.00 0.00 H +ATOM 1304 HD2 ARG A 88 -13.013 -1.015 4.095 1.00 0.00 H +ATOM 1305 HD3 ARG A 88 -13.610 -2.650 3.896 1.00 0.00 H +ATOM 1306 HE ARG A 88 -12.335 -2.800 6.327 1.00 0.00 H +ATOM 1307 HH22 ARG A 88 -14.543 -1.275 8.532 1.00 0.00 H +ATOM 1308 N HIS A 89 -8.868 -3.617 4.095 1.00 0.00 N +ATOM 1309 CA HIS A 89 -8.210 -4.107 5.294 1.00 0.00 C +ATOM 1310 C HIS A 89 -6.704 -3.857 5.191 1.00 0.00 C +ATOM 1311 O HIS A 89 -6.018 -3.746 6.207 1.00 0.00 O +ATOM 1312 CB HIS A 89 -8.551 -5.578 5.539 1.00 0.00 C +ATOM 1313 CG HIS A 89 -7.870 -6.173 6.748 1.00 0.00 C +ATOM 1314 ND1 HIS A 89 -7.145 -7.351 6.695 1.00 0.00 N +ATOM 1315 CD2 HIS A 89 -7.811 -5.742 8.040 1.00 0.00 C +ATOM 1316 CE1 HIS A 89 -6.676 -7.607 7.908 1.00 0.00 C +ATOM 1317 NE2 HIS A 89 -7.090 -6.609 8.740 1.00 0.00 N +ATOM 1318 H HIS A 89 -9.403 -4.300 3.598 1.00 0.00 H +ATOM 1319 HA HIS A 89 -8.609 -3.530 6.128 1.00 0.00 H +ATOM 1320 HB2 HIS A 89 -9.630 -5.675 5.658 1.00 0.00 H +ATOM 1321 HB3 HIS A 89 -8.274 -6.156 4.657 1.00 0.00 H +ATOM 1322 HD1 HIS A 89 -7.000 -7.913 5.881 1.00 0.00 H +ATOM 1323 HD2 HIS A 89 -8.277 -4.837 8.432 1.00 0.00 H +ATOM 1324 HE1 HIS A 89 -6.066 -8.465 8.191 1.00 0.00 H +ATOM 1325 N LEU A 90 -6.233 -3.774 3.955 1.00 0.00 N +ATOM 1326 CA LEU A 90 -4.821 -3.539 3.707 1.00 0.00 C +ATOM 1327 C LEU A 90 -4.383 -2.269 4.439 1.00 0.00 C +ATOM 1328 O LEU A 90 -3.499 -2.315 5.293 1.00 0.00 O +ATOM 1329 CB LEU A 90 -4.539 -3.510 2.203 1.00 0.00 C +ATOM 1330 CG LEU A 90 -3.407 -4.416 1.715 1.00 0.00 C +ATOM 1331 CD1 LEU A 90 -3.914 -5.835 1.453 1.00 0.00 C +ATOM 1332 CD2 LEU A 90 -2.716 -3.818 0.488 1.00 0.00 C +ATOM 1333 H LEU A 90 -6.797 -3.865 3.135 1.00 0.00 H +ATOM 1334 HA LEU A 90 -4.271 -4.384 4.121 1.00 0.00 H +ATOM 1335 HB2 LEU A 90 -5.453 -3.789 1.677 1.00 0.00 H +ATOM 1336 HB3 LEU A 90 -4.307 -2.485 1.917 1.00 0.00 H +ATOM 1337 HG LEU A 90 -2.659 -4.483 2.505 1.00 0.00 H +ATOM 1338 HD11 LEU A 90 -5.004 -5.839 1.459 1.00 0.00 H +ATOM 1339 HD12 LEU A 90 -3.556 -6.175 0.481 1.00 0.00 H +ATOM 1340 HD13 LEU A 90 -3.544 -6.503 2.230 1.00 0.00 H +ATOM 1341 HD21 LEU A 90 -3.004 -2.772 0.383 1.00 0.00 H +ATOM 1342 HD22 LEU A 90 -1.635 -3.887 0.610 1.00 0.00 H +ATOM 1343 HD23 LEU A 90 -3.017 -4.369 -0.403 1.00 0.00 H +ATOM 1344 N ALA A 91 -5.022 -1.166 4.077 1.00 0.00 N +ATOM 1345 CA ALA A 91 -4.709 0.114 4.689 1.00 0.00 C +ATOM 1346 C ALA A 91 -4.837 -0.007 6.209 1.00 0.00 C +ATOM 1347 O ALA A 91 -3.915 0.346 6.943 1.00 0.00 O +ATOM 1348 CB ALA A 91 -5.626 1.194 4.111 1.00 0.00 C +ATOM 1349 H ALA A 91 -5.739 -1.138 3.381 1.00 0.00 H +ATOM 1350 HA ALA A 91 -3.677 0.359 4.438 1.00 0.00 H +ATOM 1351 HB1 ALA A 91 -5.943 0.904 3.110 1.00 0.00 H +ATOM 1352 HB2 ALA A 91 -6.502 1.307 4.751 1.00 0.00 H +ATOM 1353 HB3 ALA A 91 -5.088 2.140 4.062 1.00 0.00 H +ATOM 1354 N GLN A 92 -5.987 -0.507 6.636 1.00 0.00 N +ATOM 1355 CA GLN A 92 -6.247 -0.680 8.055 1.00 0.00 C +ATOM 1356 C GLN A 92 -5.061 -1.369 8.732 1.00 0.00 C +ATOM 1357 O GLN A 92 -4.740 -1.073 9.882 1.00 0.00 O +ATOM 1358 CB GLN A 92 -7.540 -1.464 8.284 1.00 0.00 C +ATOM 1359 CG GLN A 92 -8.443 -0.749 9.293 1.00 0.00 C +ATOM 1360 CD GLN A 92 -9.777 -1.482 9.450 1.00 0.00 C +ATOM 1361 OE1 GLN A 92 -9.835 -2.687 9.634 1.00 0.00 O +ATOM 1362 NE2 GLN A 92 -10.842 -0.691 9.367 1.00 0.00 N +ATOM 1363 H GLN A 92 -6.731 -0.792 6.032 1.00 0.00 H +ATOM 1364 HA GLN A 92 -6.365 0.328 8.453 1.00 0.00 H +ATOM 1365 HB2 GLN A 92 -8.069 -1.584 7.339 1.00 0.00 H +ATOM 1366 HB3 GLN A 92 -7.305 -2.464 8.647 1.00 0.00 H +ATOM 1367 HG2 GLN A 92 -7.940 -0.690 10.258 1.00 0.00 H +ATOM 1368 HG3 GLN A 92 -8.623 0.274 8.964 1.00 0.00 H +ATOM 1369 HE21 GLN A 92 -10.725 0.291 9.215 1.00 0.00 H +ATOM 1370 HE22 GLN A 92 -11.760 -1.077 9.458 1.00 0.00 H +ATOM 1371 N ILE A 93 -4.442 -2.276 7.990 1.00 0.00 N +ATOM 1372 CA ILE A 93 -3.298 -3.010 8.505 1.00 0.00 C +ATOM 1373 C ILE A 93 -2.100 -2.065 8.617 1.00 0.00 C +ATOM 1374 O ILE A 93 -1.282 -2.200 9.526 1.00 0.00 O +ATOM 1375 CB ILE A 93 -3.026 -4.248 7.647 1.00 0.00 C +ATOM 1376 CG1 ILE A 93 -4.117 -5.302 7.846 1.00 0.00 C +ATOM 1377 CG2 ILE A 93 -1.630 -4.809 7.921 1.00 0.00 C +ATOM 1378 CD1 ILE A 93 -3.915 -6.059 9.161 1.00 0.00 C +ATOM 1379 H ILE A 93 -4.709 -2.511 7.056 1.00 0.00 H +ATOM 1380 HA ILE A 93 -3.557 -3.360 9.504 1.00 0.00 H +ATOM 1381 HB ILE A 93 -3.054 -3.950 6.599 1.00 0.00 H +ATOM 1382 HG12 ILE A 93 -5.096 -4.823 7.845 1.00 0.00 H +ATOM 1383 HG13 ILE A 93 -4.105 -6.005 7.013 1.00 0.00 H +ATOM 1384 HG21 ILE A 93 -1.153 -4.228 8.711 1.00 0.00 H +ATOM 1385 HG22 ILE A 93 -1.711 -5.849 8.235 1.00 0.00 H +ATOM 1386 HG23 ILE A 93 -1.029 -4.749 7.013 1.00 0.00 H +ATOM 1387 HD11 ILE A 93 -3.193 -5.526 9.779 1.00 0.00 H +ATOM 1388 HD12 ILE A 93 -4.865 -6.128 9.690 1.00 0.00 H +ATOM 1389 HD13 ILE A 93 -3.542 -7.061 8.949 1.00 0.00 H +ATOM 1390 N GLY A 94 -2.034 -1.130 7.682 1.00 0.00 N +ATOM 1391 CA GLY A 94 -0.950 -0.163 7.665 1.00 0.00 C +ATOM 1392 C GLY A 94 -0.889 0.616 8.980 1.00 0.00 C +ATOM 1393 O GLY A 94 0.160 0.683 9.618 1.00 0.00 O +ATOM 1394 H GLY A 94 -2.704 -1.027 6.946 1.00 0.00 H +ATOM 1395 HA2 GLY A 94 -0.003 -0.676 7.497 1.00 0.00 H +ATOM 1396 HA3 GLY A 94 -1.088 0.530 6.834 1.00 0.00 H +ATOM 1397 N ASP A 95 -2.028 1.185 9.347 1.00 0.00 N +ATOM 1398 CA ASP A 95 -2.117 1.956 10.575 1.00 0.00 C +ATOM 1399 C ASP A 95 -1.767 1.058 11.763 1.00 0.00 C +ATOM 1400 O ASP A 95 -0.908 1.402 12.574 1.00 0.00 O +ATOM 1401 CB ASP A 95 -3.535 2.490 10.789 1.00 0.00 C +ATOM 1402 CG ASP A 95 -3.732 3.311 12.065 1.00 0.00 C +ATOM 1403 OD1 ASP A 95 -2.764 3.651 12.761 1.00 0.00 O +ATOM 1404 OD2 ASP A 95 -4.958 3.606 12.339 1.00 0.00 O +ATOM 1405 H ASP A 95 -2.877 1.126 8.823 1.00 0.00 H +ATOM 1406 HA ASP A 95 -1.411 2.777 10.450 1.00 0.00 H +ATOM 1407 HB2 ASP A 95 -3.808 3.107 9.932 1.00 0.00 H +ATOM 1408 HB3 ASP A 95 -4.226 1.647 10.807 1.00 0.00 H +ATOM 1409 N GLU A 96 -2.449 -0.076 11.829 1.00 0.00 N +ATOM 1410 CA GLU A 96 -2.220 -1.026 12.904 1.00 0.00 C +ATOM 1411 C GLU A 96 -0.748 -1.440 12.942 1.00 0.00 C +ATOM 1412 O GLU A 96 -0.160 -1.557 14.016 1.00 0.00 O +ATOM 1413 CB GLU A 96 -3.130 -2.248 12.759 1.00 0.00 C +ATOM 1414 CG GLU A 96 -3.254 -2.999 14.086 1.00 0.00 C +ATOM 1415 CD GLU A 96 -2.441 -4.296 14.059 1.00 0.00 C +ATOM 1416 OE1 GLU A 96 -2.938 -5.235 13.328 1.00 0.00 O +ATOM 1417 OE2 GLU A 96 -1.391 -4.383 14.712 1.00 0.00 O +ATOM 1418 H GLU A 96 -3.146 -0.348 11.165 1.00 0.00 H +ATOM 1419 HA GLU A 96 -2.479 -0.495 13.820 1.00 0.00 H +ATOM 1420 HB2 GLU A 96 -4.117 -1.932 12.422 1.00 0.00 H +ATOM 1421 HB3 GLU A 96 -2.730 -2.914 11.995 1.00 0.00 H +ATOM 1422 HG2 GLU A 96 -2.906 -2.365 14.901 1.00 0.00 H +ATOM 1423 HG3 GLU A 96 -4.302 -3.226 14.282 1.00 0.00 H +ATOM 1424 N MET A 97 -0.194 -1.650 11.757 1.00 0.00 N +ATOM 1425 CA MET A 97 1.198 -2.048 11.641 1.00 0.00 C +ATOM 1426 C MET A 97 2.109 -1.087 12.408 1.00 0.00 C +ATOM 1427 O MET A 97 3.010 -1.519 13.125 1.00 0.00 O +ATOM 1428 CB MET A 97 1.603 -2.067 10.166 1.00 0.00 C +ATOM 1429 CG MET A 97 1.973 -3.483 9.718 1.00 0.00 C +ATOM 1430 SD MET A 97 3.152 -4.194 10.854 1.00 0.00 S +ATOM 1431 CE MET A 97 3.631 -5.647 9.934 1.00 0.00 C +ATOM 1432 H MET A 97 -0.679 -1.552 10.888 1.00 0.00 H +ATOM 1433 HA MET A 97 1.256 -3.043 12.082 1.00 0.00 H +ATOM 1434 HB2 MET A 97 0.782 -1.692 9.555 1.00 0.00 H +ATOM 1435 HB3 MET A 97 2.450 -1.399 10.008 1.00 0.00 H +ATOM 1436 HG2 MET A 97 1.079 -4.104 9.672 1.00 0.00 H +ATOM 1437 HG3 MET A 97 2.395 -3.456 8.713 1.00 0.00 H +ATOM 1438 HE1 MET A 97 3.492 -5.465 8.868 1.00 0.00 H +ATOM 1439 HE2 MET A 97 4.680 -5.871 10.129 1.00 0.00 H +ATOM 1440 HE3 MET A 97 3.015 -6.492 10.242 1.00 0.00 H +ATOM 1441 N ASP A 98 1.842 0.199 12.231 1.00 0.00 N +ATOM 1442 CA ASP A 98 2.626 1.224 12.897 1.00 0.00 C +ATOM 1443 C ASP A 98 2.954 0.766 14.320 1.00 0.00 C +ATOM 1444 O ASP A 98 3.984 1.145 14.876 1.00 0.00 O +ATOM 1445 CB ASP A 98 1.848 2.538 12.991 1.00 0.00 C +ATOM 1446 CG ASP A 98 2.608 3.695 13.644 1.00 0.00 C +ATOM 1447 OD1 ASP A 98 3.859 3.767 13.338 1.00 0.00 O +ATOM 1448 OD2 ASP A 98 2.034 4.487 14.406 1.00 0.00 O +ATOM 1449 H ASP A 98 1.107 0.542 11.646 1.00 0.00 H +ATOM 1450 HA ASP A 98 3.518 1.347 12.283 1.00 0.00 H +ATOM 1451 HB2 ASP A 98 1.551 2.840 11.987 1.00 0.00 H +ATOM 1452 HB3 ASP A 98 0.932 2.361 13.555 1.00 0.00 H +ATOM 1453 N HIS A 99 2.059 -0.042 14.868 1.00 0.00 N +ATOM 1454 CA HIS A 99 2.240 -0.556 16.215 1.00 0.00 C +ATOM 1455 C HIS A 99 3.631 -1.182 16.343 1.00 0.00 C +ATOM 1456 O HIS A 99 4.393 -0.829 17.241 1.00 0.00 O +ATOM 1457 CB HIS A 99 1.117 -1.529 16.581 1.00 0.00 C +ATOM 1458 CG HIS A 99 1.075 -1.896 18.045 1.00 0.00 C +ATOM 1459 ND1 HIS A 99 0.253 -2.890 18.546 1.00 0.00 N +ATOM 1460 CD2 HIS A 99 1.763 -1.393 19.110 1.00 0.00 C +ATOM 1461 CE1 HIS A 99 0.444 -2.972 19.854 1.00 0.00 C +ATOM 1462 NE2 HIS A 99 1.381 -2.043 20.202 1.00 0.00 N +ATOM 1463 H HIS A 99 1.224 -0.346 14.408 1.00 0.00 H +ATOM 1464 HA HIS A 99 2.172 0.298 16.887 1.00 0.00 H +ATOM 1465 HB2 HIS A 99 0.161 -1.086 16.301 1.00 0.00 H +ATOM 1466 HB3 HIS A 99 1.231 -2.439 15.992 1.00 0.00 H +ATOM 1467 HD1 HIS A 99 -0.379 -3.451 18.011 1.00 0.00 H +ATOM 1468 HD2 HIS A 99 2.502 -0.592 19.070 1.00 0.00 H +ATOM 1469 HE1 HIS A 99 -0.058 -3.661 20.533 1.00 0.00 H +ATOM 1470 N ASN A 100 3.918 -2.099 15.431 1.00 0.00 N +ATOM 1471 CA ASN A 100 5.203 -2.777 15.431 1.00 0.00 C +ATOM 1472 C ASN A 100 5.599 -3.110 13.991 1.00 0.00 C +ATOM 1473 O ASN A 100 5.333 -4.210 13.509 1.00 0.00 O +ATOM 1474 CB ASN A 100 5.135 -4.087 16.218 1.00 0.00 C +ATOM 1475 CG ASN A 100 6.279 -4.179 17.229 1.00 0.00 C +ATOM 1476 OD1 ASN A 100 7.253 -3.447 17.173 1.00 0.00 O +ATOM 1477 ND2 ASN A 100 6.108 -5.118 18.156 1.00 0.00 N +ATOM 1478 H ASN A 100 3.292 -2.380 14.704 1.00 0.00 H +ATOM 1479 HA ASN A 100 5.895 -2.079 15.903 1.00 0.00 H +ATOM 1480 HB2 ASN A 100 4.179 -4.155 16.737 1.00 0.00 H +ATOM 1481 HB3 ASN A 100 5.184 -4.932 15.530 1.00 0.00 H +ATOM 1482 HD21 ASN A 100 5.285 -5.686 18.146 1.00 0.00 H +ATOM 1483 HD22 ASN A 100 6.802 -5.256 18.862 1.00 0.00 H +ATOM 1484 N ILE A 101 6.229 -2.140 13.345 1.00 0.00 N +ATOM 1485 CA ILE A 101 6.664 -2.316 11.970 1.00 0.00 C +ATOM 1486 C ILE A 101 8.186 -2.183 11.900 1.00 0.00 C +ATOM 1487 O ILE A 101 8.703 -1.183 11.404 1.00 0.00 O +ATOM 1488 CB ILE A 101 5.919 -1.352 11.044 1.00 0.00 C +ATOM 1489 CG1 ILE A 101 5.719 -1.967 9.658 1.00 0.00 C +ATOM 1490 CG2 ILE A 101 6.631 0.000 10.973 1.00 0.00 C +ATOM 1491 CD1 ILE A 101 5.243 -0.915 8.654 1.00 0.00 C +ATOM 1492 H ILE A 101 6.442 -1.248 13.744 1.00 0.00 H +ATOM 1493 HA ILE A 101 6.392 -3.327 11.668 1.00 0.00 H +ATOM 1494 HB ILE A 101 4.929 -1.173 11.463 1.00 0.00 H +ATOM 1495 HG12 ILE A 101 6.654 -2.408 9.313 1.00 0.00 H +ATOM 1496 HG13 ILE A 101 4.989 -2.775 9.717 1.00 0.00 H +ATOM 1497 HG21 ILE A 101 7.144 0.191 11.916 1.00 0.00 H +ATOM 1498 HG22 ILE A 101 7.358 -0.014 10.161 1.00 0.00 H +ATOM 1499 HG23 ILE A 101 5.899 0.787 10.792 1.00 0.00 H +ATOM 1500 HD11 ILE A 101 5.954 -0.089 8.630 1.00 0.00 H +ATOM 1501 HD12 ILE A 101 5.174 -1.363 7.663 1.00 0.00 H +ATOM 1502 HD13 ILE A 101 4.263 -0.543 8.954 1.00 0.00 H +ATOM 1503 N GLN A 102 8.862 -3.205 12.405 1.00 0.00 N +ATOM 1504 CA GLN A 102 10.315 -3.214 12.406 1.00 0.00 C +ATOM 1505 C GLN A 102 10.838 -4.170 13.480 1.00 0.00 C +ATOM 1506 O GLN A 102 11.615 -3.772 14.346 1.00 0.00 O +ATOM 1507 CB GLN A 102 10.872 -1.804 12.610 1.00 0.00 C +ATOM 1508 CG GLN A 102 11.394 -1.225 11.293 1.00 0.00 C +ATOM 1509 CD GLN A 102 11.814 0.236 11.464 1.00 0.00 C +ATOM 1510 OE1 GLN A 102 11.034 1.157 11.291 1.00 0.00 O +ATOM 1511 NE2 GLN A 102 13.088 0.395 11.813 1.00 0.00 N +ATOM 1512 H GLN A 102 8.434 -4.014 12.807 1.00 0.00 H +ATOM 1513 HA GLN A 102 10.603 -3.573 11.418 1.00 0.00 H +ATOM 1514 HB2 GLN A 102 10.093 -1.156 13.012 1.00 0.00 H +ATOM 1515 HB3 GLN A 102 11.677 -1.829 13.344 1.00 0.00 H +ATOM 1516 HG2 GLN A 102 12.243 -1.813 10.945 1.00 0.00 H +ATOM 1517 HG3 GLN A 102 10.621 -1.298 10.528 1.00 0.00 H +ATOM 1518 HE21 GLN A 102 13.675 -0.404 11.939 1.00 0.00 H +ATOM 1519 HE22 GLN A 102 13.457 1.314 11.949 1.00 0.00 H +ATOM 1520 N PRO A 103 10.380 -5.447 13.385 1.00 0.00 N +ATOM 1521 CA PRO A 103 10.794 -6.464 14.337 1.00 0.00 C +ATOM 1522 C PRO A 103 12.228 -6.921 14.063 1.00 0.00 C +ATOM 1523 O PRO A 103 12.710 -7.870 14.680 1.00 0.00 O +ATOM 1524 CB PRO A 103 9.775 -7.582 14.187 1.00 0.00 C +ATOM 1525 CG PRO A 103 9.106 -7.358 12.841 1.00 0.00 C +ATOM 1526 CD PRO A 103 9.460 -5.956 12.372 1.00 0.00 C +ATOM 1527 HA PRO A 103 10.800 -6.089 15.264 1.00 0.00 H +ATOM 1528 HB2 PRO A 103 10.258 -8.558 14.226 1.00 0.00 H +ATOM 1529 HB3 PRO A 103 9.045 -7.556 14.996 1.00 0.00 H +ATOM 1530 HG2 PRO A 103 9.445 -8.099 12.118 1.00 0.00 H +ATOM 1531 HG3 PRO A 103 8.025 -7.469 12.929 1.00 0.00 H +ATOM 1532 HD2 PRO A 103 9.925 -5.974 11.387 1.00 0.00 H +ATOM 1533 HD3 PRO A 103 8.572 -5.328 12.294 1.00 0.00 H +ATOM 1534 N THR A 104 12.870 -6.225 13.136 1.00 0.00 N +ATOM 1535 CA THR A 104 14.239 -6.548 12.772 1.00 0.00 C +ATOM 1536 C THR A 104 14.720 -5.635 11.642 1.00 0.00 C +ATOM 1537 O THR A 104 15.803 -5.836 11.095 1.00 0.00 O +ATOM 1538 CB THR A 104 14.296 -8.035 12.417 1.00 0.00 C +ATOM 1539 OG1 THR A 104 15.512 -8.172 11.686 1.00 0.00 O +ATOM 1540 CG2 THR A 104 13.212 -8.440 11.416 1.00 0.00 C +ATOM 1541 H THR A 104 12.471 -5.455 12.638 1.00 0.00 H +ATOM 1542 HA THR A 104 14.878 -6.355 13.633 1.00 0.00 H +ATOM 1543 HB THR A 104 14.247 -8.652 13.314 1.00 0.00 H +ATOM 1544 HG1 THR A 104 16.293 -8.027 12.293 1.00 0.00 H +ATOM 1545 HG21 THR A 104 12.253 -8.029 11.732 1.00 0.00 H +ATOM 1546 HG22 THR A 104 13.466 -8.052 10.429 1.00 0.00 H +ATOM 1547 HG23 THR A 104 13.145 -9.527 11.372 1.00 0.00 H +ATOM 1548 N LEU A 105 13.891 -4.650 11.327 1.00 0.00 N +ATOM 1549 CA LEU A 105 14.218 -3.706 10.272 1.00 0.00 C +ATOM 1550 C LEU A 105 13.374 -4.017 9.034 1.00 0.00 C +ATOM 1551 O LEU A 105 13.820 -3.812 7.907 1.00 0.00 O +ATOM 1552 CB LEU A 105 15.725 -3.702 10.004 1.00 0.00 C +ATOM 1553 CG LEU A 105 16.614 -3.285 11.177 1.00 0.00 C +ATOM 1554 CD1 LEU A 105 17.936 -2.698 10.681 1.00 0.00 C +ATOM 1555 CD2 LEU A 105 15.874 -2.325 12.111 1.00 0.00 C +ATOM 1556 H LEU A 105 13.012 -4.494 11.777 1.00 0.00 H +ATOM 1557 HA LEU A 105 13.952 -2.711 10.630 1.00 0.00 H +ATOM 1558 HB2 LEU A 105 16.020 -4.703 9.688 1.00 0.00 H +ATOM 1559 HB3 LEU A 105 15.923 -3.032 9.167 1.00 0.00 H +ATOM 1560 HG LEU A 105 16.855 -4.177 11.757 1.00 0.00 H +ATOM 1561 HD11 LEU A 105 17.738 -1.966 9.898 1.00 0.00 H +ATOM 1562 HD12 LEU A 105 18.451 -2.212 11.510 1.00 0.00 H +ATOM 1563 HD13 LEU A 105 18.562 -3.496 10.283 1.00 0.00 H +ATOM 1564 HD21 LEU A 105 15.576 -1.436 11.556 1.00 0.00 H +ATOM 1565 HD22 LEU A 105 14.988 -2.818 12.512 1.00 0.00 H +ATOM 1566 HD23 LEU A 105 16.532 -2.038 12.932 1.00 0.00 H +ATOM 1567 N VAL A 106 12.170 -4.508 9.287 1.00 0.00 N +ATOM 1568 CA VAL A 106 11.259 -4.850 8.208 1.00 0.00 C +ATOM 1569 C VAL A 106 10.906 -3.584 7.424 1.00 0.00 C +ATOM 1570 O VAL A 106 11.499 -3.309 6.382 1.00 0.00 O +ATOM 1571 CB VAL A 106 10.030 -5.569 8.767 1.00 0.00 C +ATOM 1572 CG1 VAL A 106 8.787 -5.261 7.931 1.00 0.00 C +ATOM 1573 CG2 VAL A 106 10.271 -7.077 8.857 1.00 0.00 C +ATOM 1574 H VAL A 106 11.815 -4.672 10.207 1.00 0.00 H +ATOM 1575 HA VAL A 106 11.780 -5.539 7.544 1.00 0.00 H +ATOM 1576 HB VAL A 106 9.855 -5.197 9.777 1.00 0.00 H +ATOM 1577 HG11 VAL A 106 9.090 -4.916 6.943 1.00 0.00 H +ATOM 1578 HG12 VAL A 106 8.183 -6.163 7.832 1.00 0.00 H +ATOM 1579 HG13 VAL A 106 8.201 -4.484 8.423 1.00 0.00 H +ATOM 1580 HG21 VAL A 106 11.318 -7.291 8.644 1.00 0.00 H +ATOM 1581 HG22 VAL A 106 10.026 -7.425 9.861 1.00 0.00 H +ATOM 1582 HG23 VAL A 106 9.640 -7.589 8.131 1.00 0.00 H +ATOM 1583 N ARG A 107 9.942 -2.847 7.956 1.00 0.00 N +ATOM 1584 CA ARG A 107 9.503 -1.617 7.320 1.00 0.00 C +ATOM 1585 C ARG A 107 10.698 -0.696 7.062 1.00 0.00 C +ATOM 1586 O ARG A 107 10.611 0.230 6.258 1.00 0.00 O +ATOM 1587 CB ARG A 107 8.480 -0.882 8.188 1.00 0.00 C +ATOM 1588 CG ARG A 107 8.545 0.628 7.953 1.00 0.00 C +ATOM 1589 CD ARG A 107 9.623 1.274 8.826 1.00 0.00 C +ATOM 1590 NE ARG A 107 9.005 2.234 9.767 1.00 0.00 N +ATOM 1591 CZ ARG A 107 9.653 3.287 10.308 1.00 0.00 C +ATOM 1592 NH1 ARG A 107 10.947 3.525 10.005 1.00 0.00 N +ATOM 1593 NH2 ARG A 107 9.002 4.081 11.138 1.00 0.00 N +ATOM 1594 H ARG A 107 9.465 -3.078 8.804 1.00 0.00 H +ATOM 1595 HA ARG A 107 9.045 -1.935 6.383 1.00 0.00 H +ATOM 1596 HB2 ARG A 107 7.478 -1.246 7.962 1.00 0.00 H +ATOM 1597 HB3 ARG A 107 8.668 -1.098 9.240 1.00 0.00 H +ATOM 1598 HG2 ARG A 107 8.755 0.828 6.902 1.00 0.00 H +ATOM 1599 HG3 ARG A 107 7.576 1.077 8.174 1.00 0.00 H +ATOM 1600 HD2 ARG A 107 10.162 0.505 9.379 1.00 0.00 H +ATOM 1601 HD3 ARG A 107 10.353 1.785 8.198 1.00 0.00 H +ATOM 1602 HE ARG A 107 8.047 2.094 10.018 1.00 0.00 H +ATOM 1603 HH22 ARG A 107 9.408 4.881 11.580 1.00 0.00 H +ATOM 1604 N GLN A 108 11.787 -0.983 7.761 1.00 0.00 N +ATOM 1605 CA GLN A 108 12.997 -0.193 7.618 1.00 0.00 C +ATOM 1606 C GLN A 108 13.541 -0.307 6.193 1.00 0.00 C +ATOM 1607 O GLN A 108 13.824 0.702 5.550 1.00 0.00 O +ATOM 1608 CB GLN A 108 14.052 -0.616 8.643 1.00 0.00 C +ATOM 1609 CG GLN A 108 14.898 0.580 9.085 1.00 0.00 C +ATOM 1610 CD GLN A 108 15.447 1.340 7.876 1.00 0.00 C +ATOM 1611 OE1 GLN A 108 14.765 2.133 7.247 1.00 0.00 O +ATOM 1612 NE2 GLN A 108 16.713 1.055 7.587 1.00 0.00 N +ATOM 1613 H GLN A 108 11.849 -1.739 8.414 1.00 0.00 H +ATOM 1614 HA GLN A 108 12.697 0.835 7.819 1.00 0.00 H +ATOM 1615 HB2 GLN A 108 13.564 -1.061 9.510 1.00 0.00 H +ATOM 1616 HB3 GLN A 108 14.697 -1.382 8.212 1.00 0.00 H +ATOM 1617 HG2 GLN A 108 14.294 1.250 9.697 1.00 0.00 H +ATOM 1618 HG3 GLN A 108 15.723 0.236 9.708 1.00 0.00 H +ATOM 1619 HE21 GLN A 108 17.216 0.394 8.144 1.00 0.00 H +ATOM 1620 HE22 GLN A 108 17.162 1.502 6.813 1.00 0.00 H +ATOM 1621 N LEU A 109 13.670 -1.546 5.740 1.00 0.00 N +ATOM 1622 CA LEU A 109 14.174 -1.805 4.403 1.00 0.00 C +ATOM 1623 C LEU A 109 13.220 -1.194 3.375 1.00 0.00 C +ATOM 1624 O LEU A 109 13.615 -0.334 2.590 1.00 0.00 O +ATOM 1625 CB LEU A 109 14.417 -3.303 4.203 1.00 0.00 C +ATOM 1626 CG LEU A 109 13.167 -4.167 4.024 1.00 0.00 C +ATOM 1627 CD1 LEU A 109 12.524 -3.925 2.657 1.00 0.00 C +ATOM 1628 CD2 LEU A 109 13.486 -5.645 4.254 1.00 0.00 C +ATOM 1629 H LEU A 109 13.437 -2.362 6.270 1.00 0.00 H +ATOM 1630 HA LEU A 109 15.140 -1.308 4.316 1.00 0.00 H +ATOM 1631 HB2 LEU A 109 15.053 -3.433 3.327 1.00 0.00 H +ATOM 1632 HB3 LEU A 109 14.975 -3.678 5.061 1.00 0.00 H +ATOM 1633 HG LEU A 109 12.438 -3.873 4.780 1.00 0.00 H +ATOM 1634 HD11 LEU A 109 13.008 -3.077 2.173 1.00 0.00 H +ATOM 1635 HD12 LEU A 109 12.642 -4.814 2.038 1.00 0.00 H +ATOM 1636 HD13 LEU A 109 11.463 -3.711 2.788 1.00 0.00 H +ATOM 1637 HD21 LEU A 109 14.528 -5.750 4.557 1.00 0.00 H +ATOM 1638 HD22 LEU A 109 12.839 -6.039 5.039 1.00 0.00 H +ATOM 1639 HD23 LEU A 109 13.318 -6.201 3.332 1.00 0.00 H +ATOM 1640 N ALA A 110 11.981 -1.663 3.413 1.00 0.00 N +ATOM 1641 CA ALA A 110 10.967 -1.174 2.495 1.00 0.00 C +ATOM 1642 C ALA A 110 10.985 0.356 2.490 1.00 0.00 C +ATOM 1643 O ALA A 110 10.803 0.979 1.446 1.00 0.00 O +ATOM 1644 CB ALA A 110 9.602 -1.740 2.892 1.00 0.00 C +ATOM 1645 H ALA A 110 11.668 -2.363 4.055 1.00 0.00 H +ATOM 1646 HA ALA A 110 11.220 -1.535 1.498 1.00 0.00 H +ATOM 1647 HB1 ALA A 110 9.545 -1.821 3.978 1.00 0.00 H +ATOM 1648 HB2 ALA A 110 8.816 -1.075 2.536 1.00 0.00 H +ATOM 1649 HB3 ALA A 110 9.474 -2.726 2.447 1.00 0.00 H +ATOM 1650 N ALA A 111 11.206 0.917 3.670 1.00 0.00 N +ATOM 1651 CA ALA A 111 11.250 2.362 3.815 1.00 0.00 C +ATOM 1652 C ALA A 111 12.513 2.900 3.140 1.00 0.00 C +ATOM 1653 O ALA A 111 12.569 4.069 2.761 1.00 0.00 O +ATOM 1654 CB ALA A 111 11.181 2.729 5.299 1.00 0.00 C +ATOM 1655 H ALA A 111 11.353 0.403 4.515 1.00 0.00 H +ATOM 1656 HA ALA A 111 10.375 2.773 3.311 1.00 0.00 H +ATOM 1657 HB1 ALA A 111 11.966 2.201 5.841 1.00 0.00 H +ATOM 1658 HB2 ALA A 111 11.320 3.803 5.415 1.00 0.00 H +ATOM 1659 HB3 ALA A 111 10.208 2.443 5.699 1.00 0.00 H +ATOM 1660 N GLN A 112 13.496 2.021 3.010 1.00 0.00 N +ATOM 1661 CA GLN A 112 14.755 2.393 2.387 1.00 0.00 C +ATOM 1662 C GLN A 112 14.507 2.967 0.990 1.00 0.00 C +ATOM 1663 O GLN A 112 14.973 4.060 0.673 1.00 0.00 O +ATOM 1664 CB GLN A 112 15.710 1.199 2.327 1.00 0.00 C +ATOM 1665 CG GLN A 112 15.349 0.265 1.170 1.00 0.00 C +ATOM 1666 CD GLN A 112 15.688 -1.187 1.513 1.00 0.00 C +ATOM 1667 OE1 GLN A 112 16.780 -1.510 1.951 1.00 0.00 O +ATOM 1668 NE2 GLN A 112 14.694 -2.042 1.289 1.00 0.00 N +ATOM 1669 H GLN A 112 13.443 1.072 3.321 1.00 0.00 H +ATOM 1670 HA GLN A 112 15.182 3.160 3.032 1.00 0.00 H +ATOM 1671 HB2 GLN A 112 16.734 1.554 2.206 1.00 0.00 H +ATOM 1672 HB3 GLN A 112 15.673 0.651 3.268 1.00 0.00 H +ATOM 1673 HG2 GLN A 112 14.285 0.351 0.948 1.00 0.00 H +ATOM 1674 HG3 GLN A 112 15.888 0.566 0.272 1.00 0.00 H +ATOM 1675 HE21 GLN A 112 13.822 -1.712 0.928 1.00 0.00 H +ATOM 1676 HE22 GLN A 112 14.819 -3.016 1.482 1.00 0.00 H +ATOM 1677 N PHE A 113 13.773 2.204 0.193 1.00 0.00 N +ATOM 1678 CA PHE A 113 13.457 2.624 -1.161 1.00 0.00 C +ATOM 1679 C PHE A 113 12.517 3.831 -1.157 1.00 0.00 C +ATOM 1680 O PHE A 113 12.663 4.739 -1.973 1.00 0.00 O +ATOM 1681 CB PHE A 113 12.754 1.447 -1.841 1.00 0.00 C +ATOM 1682 CG PHE A 113 11.271 1.319 -1.486 1.00 0.00 C +ATOM 1683 CD1 PHE A 113 10.383 2.250 -1.927 1.00 0.00 C +ATOM 1684 CD2 PHE A 113 10.842 0.274 -0.729 1.00 0.00 C +ATOM 1685 CE1 PHE A 113 9.007 2.130 -1.597 1.00 0.00 C +ATOM 1686 CE2 PHE A 113 9.466 0.154 -0.400 1.00 0.00 C +ATOM 1687 CZ PHE A 113 8.577 1.085 -0.840 1.00 0.00 C +ATOM 1688 H PHE A 113 13.397 1.316 0.459 1.00 0.00 H +ATOM 1689 HA PHE A 113 14.396 2.899 -1.642 1.00 0.00 H +ATOM 1690 HB2 PHE A 113 12.850 1.555 -2.922 1.00 0.00 H +ATOM 1691 HB3 PHE A 113 13.264 0.524 -1.566 1.00 0.00 H +ATOM 1692 HD1 PHE A 113 10.728 3.087 -2.533 1.00 0.00 H +ATOM 1693 HD2 PHE A 113 11.553 -0.472 -0.376 1.00 0.00 H +ATOM 1694 HE1 PHE A 113 8.295 2.876 -1.950 1.00 0.00 H +ATOM 1695 HE2 PHE A 113 9.121 -0.683 0.207 1.00 0.00 H +ATOM 1696 HZ PHE A 113 7.521 0.994 -0.587 1.00 0.00 H +ATOM 1697 N MET A 114 11.573 3.802 -0.228 1.00 0.00 N +ATOM 1698 CA MET A 114 10.609 4.882 -0.106 1.00 0.00 C +ATOM 1699 C MET A 114 11.314 6.230 0.055 1.00 0.00 C +ATOM 1700 O MET A 114 11.206 6.871 1.099 1.00 0.00 O +ATOM 1701 CB MET A 114 9.709 4.629 1.105 1.00 0.00 C +ATOM 1702 CG MET A 114 8.367 5.348 0.950 1.00 0.00 C +ATOM 1703 SD MET A 114 8.456 6.972 1.685 1.00 0.00 S +ATOM 1704 CE MET A 114 8.463 6.530 3.414 1.00 0.00 C +ATOM 1705 H MET A 114 11.461 3.059 0.433 1.00 0.00 H +ATOM 1706 HA MET A 114 10.038 4.871 -1.034 1.00 0.00 H +ATOM 1707 HB2 MET A 114 9.541 3.558 1.221 1.00 0.00 H +ATOM 1708 HB3 MET A 114 10.207 4.973 2.011 1.00 0.00 H +ATOM 1709 HG2 MET A 114 8.109 5.430 -0.106 1.00 0.00 H +ATOM 1710 HG3 MET A 114 7.577 4.767 1.426 1.00 0.00 H +ATOM 1711 HE1 MET A 114 8.190 5.480 3.522 1.00 0.00 H +ATOM 1712 HE2 MET A 114 9.460 6.691 3.826 1.00 0.00 H +ATOM 1713 HE3 MET A 114 7.744 7.149 3.951 1.00 0.00 H +ATOM 1714 N ASN A 115 12.021 6.621 -0.996 1.00 0.00 N +ATOM 1715 CA ASN A 115 12.744 7.882 -0.984 1.00 0.00 C +ATOM 1716 C ASN A 115 12.718 8.492 -2.387 1.00 0.00 C +ATOM 1717 O ASN A 115 12.571 7.777 -3.376 1.00 0.00 O +ATOM 1718 CB ASN A 115 14.206 7.674 -0.586 1.00 0.00 C +ATOM 1719 CG ASN A 115 14.993 7.006 -1.715 1.00 0.00 C +ATOM 1720 OD1 ASN A 115 14.505 6.133 -2.414 1.00 0.00 O +ATOM 1721 ND2 ASN A 115 16.234 7.464 -1.854 1.00 0.00 N +ATOM 1722 H ASN A 115 12.104 6.094 -1.841 1.00 0.00 H +ATOM 1723 HA ASN A 115 12.228 8.501 -0.250 1.00 0.00 H +ATOM 1724 HB2 ASN A 115 14.660 8.635 -0.340 1.00 0.00 H +ATOM 1725 HB3 ASN A 115 14.258 7.059 0.312 1.00 0.00 H +ATOM 1726 HD21 ASN A 115 16.572 8.183 -1.247 1.00 0.00 H +ATOM 1727 HD22 ASN A 115 16.828 7.090 -2.566 1.00 0.00 H +ATOM 1728 N GLY A 116 12.863 9.809 -2.427 1.00 0.00 N +ATOM 1729 CA GLY A 116 12.858 10.523 -3.692 1.00 0.00 C +ATOM 1730 C GLY A 116 11.541 10.305 -4.440 1.00 0.00 C +ATOM 1731 O GLY A 116 10.869 9.295 -4.240 1.00 0.00 O +ATOM 1732 H GLY A 116 12.982 10.383 -1.618 1.00 0.00 H +ATOM 1733 HA2 GLY A 116 13.006 11.588 -3.513 1.00 0.00 H +ATOM 1734 HA3 GLY A 116 13.691 10.185 -4.309 1.00 0.00 H +ATOM 1735 N SER A 117 11.212 11.269 -5.287 1.00 0.00 N +ATOM 1736 CA SER A 117 9.988 11.195 -6.066 1.00 0.00 C +ATOM 1737 C SER A 117 10.226 10.381 -7.340 1.00 0.00 C +ATOM 1738 O SER A 117 9.380 10.355 -8.232 1.00 0.00 O +ATOM 1739 CB SER A 117 9.474 12.593 -6.418 1.00 0.00 C +ATOM 1740 OG SER A 117 10.504 13.423 -6.948 1.00 0.00 O +ATOM 1741 H SER A 117 11.764 12.088 -5.445 1.00 0.00 H +ATOM 1742 HA SER A 117 9.265 10.695 -5.422 1.00 0.00 H +ATOM 1743 HB2 SER A 117 8.665 12.509 -7.145 1.00 0.00 H +ATOM 1744 HB3 SER A 117 9.054 13.060 -5.527 1.00 0.00 H +ATOM 1745 HG SER A 117 11.120 12.881 -7.520 1.00 0.00 H +ATOM 1746 N LEU A 118 11.383 9.736 -7.384 1.00 0.00 N +ATOM 1747 CA LEU A 118 11.743 8.923 -8.533 1.00 0.00 C +ATOM 1748 C LEU A 118 13.106 8.274 -8.285 1.00 0.00 C +ATOM 1749 O LEU A 118 14.141 8.845 -8.627 1.00 0.00 O +ATOM 1750 CB LEU A 118 11.681 9.753 -9.817 1.00 0.00 C +ATOM 1751 CG LEU A 118 12.946 10.540 -10.168 1.00 0.00 C +ATOM 1752 CD1 LEU A 118 13.873 9.716 -11.063 1.00 0.00 C +ATOM 1753 CD2 LEU A 118 12.594 11.891 -10.795 1.00 0.00 C +ATOM 1754 H LEU A 118 12.066 9.763 -6.654 1.00 0.00 H +ATOM 1755 HA LEU A 118 10.996 8.135 -8.622 1.00 0.00 H +ATOM 1756 HB2 LEU A 118 11.451 9.086 -10.647 1.00 0.00 H +ATOM 1757 HB3 LEU A 118 10.852 10.455 -9.732 1.00 0.00 H +ATOM 1758 HG LEU A 118 13.488 10.745 -9.245 1.00 0.00 H +ATOM 1759 HD11 LEU A 118 13.609 8.661 -10.987 1.00 0.00 H +ATOM 1760 HD12 LEU A 118 13.765 10.044 -12.097 1.00 0.00 H +ATOM 1761 HD13 LEU A 118 14.906 9.856 -10.744 1.00 0.00 H +ATOM 1762 HD21 LEU A 118 11.758 11.765 -11.483 1.00 0.00 H +ATOM 1763 HD22 LEU A 118 12.316 12.594 -10.010 1.00 0.00 H +ATOM 1764 HD23 LEU A 118 13.458 12.275 -11.338 1.00 0.00 H +ATOM 1765 N SER A 119 13.063 7.089 -7.694 1.00 0.00 N +ATOM 1766 CA SER A 119 14.281 6.356 -7.397 1.00 0.00 C +ATOM 1767 C SER A 119 14.434 5.181 -8.364 1.00 0.00 C +ATOM 1768 O SER A 119 13.447 4.554 -8.747 1.00 0.00 O +ATOM 1769 CB SER A 119 14.285 5.856 -5.951 1.00 0.00 C +ATOM 1770 OG SER A 119 15.600 5.820 -5.402 1.00 0.00 O +ATOM 1771 H SER A 119 12.217 6.632 -7.419 1.00 0.00 H +ATOM 1772 HA SER A 119 15.091 7.073 -7.535 1.00 0.00 H +ATOM 1773 HB2 SER A 119 13.656 6.505 -5.341 1.00 0.00 H +ATOM 1774 HB3 SER A 119 13.848 4.859 -5.910 1.00 0.00 H +ATOM 1775 HG SER A 119 15.588 5.355 -4.516 1.00 0.00 H +ATOM 1776 N GLU A 120 15.679 4.917 -8.733 1.00 0.00 N +ATOM 1777 CA GLU A 120 15.974 3.828 -9.649 1.00 0.00 C +ATOM 1778 C GLU A 120 15.306 4.077 -11.002 1.00 0.00 C +ATOM 1779 O GLU A 120 14.963 3.133 -11.712 1.00 0.00 O +ATOM 1780 CB GLU A 120 15.538 2.484 -9.061 1.00 0.00 C +ATOM 1781 CG GLU A 120 16.491 1.365 -9.486 1.00 0.00 C +ATOM 1782 CD GLU A 120 17.646 1.221 -8.493 1.00 0.00 C +ATOM 1783 OE1 GLU A 120 17.461 1.454 -7.290 1.00 0.00 O +ATOM 1784 OE2 GLU A 120 18.768 0.853 -9.012 1.00 0.00 O +ATOM 1785 H GLU A 120 16.477 5.431 -8.417 1.00 0.00 H +ATOM 1786 HA GLU A 120 17.058 3.832 -9.765 1.00 0.00 H +ATOM 1787 HB2 GLU A 120 15.511 2.550 -7.973 1.00 0.00 H +ATOM 1788 HB3 GLU A 120 14.526 2.250 -9.391 1.00 0.00 H +ATOM 1789 HG2 GLU A 120 15.945 0.424 -9.553 1.00 0.00 H +ATOM 1790 HG3 GLU A 120 16.885 1.576 -10.480 1.00 0.00 H +ATOM 1791 N GLU A 121 15.141 5.353 -11.318 1.00 0.00 N +ATOM 1792 CA GLU A 121 14.519 5.738 -12.574 1.00 0.00 C +ATOM 1793 C GLU A 121 13.181 5.017 -12.747 1.00 0.00 C +ATOM 1794 O GLU A 121 13.040 4.165 -13.623 1.00 0.00 O +ATOM 1795 CB GLU A 121 15.450 5.457 -13.755 1.00 0.00 C +ATOM 1796 CG GLU A 121 16.515 6.548 -13.886 1.00 0.00 C +ATOM 1797 CD GLU A 121 17.694 6.279 -12.948 1.00 0.00 C +ATOM 1798 OE1 GLU A 121 18.335 5.223 -13.047 1.00 0.00 O +ATOM 1799 OE2 GLU A 121 17.936 7.215 -12.094 1.00 0.00 O +ATOM 1800 H GLU A 121 15.422 6.115 -10.735 1.00 0.00 H +ATOM 1801 HA GLU A 121 14.354 6.813 -12.498 1.00 0.00 H +ATOM 1802 HB2 GLU A 121 15.932 4.489 -13.621 1.00 0.00 H +ATOM 1803 HB3 GLU A 121 14.869 5.399 -14.676 1.00 0.00 H +ATOM 1804 HG2 GLU A 121 16.868 6.595 -14.916 1.00 0.00 H +ATOM 1805 HG3 GLU A 121 16.076 7.519 -13.655 1.00 0.00 H +ATOM 1806 N ASP A 122 12.232 5.387 -11.899 1.00 0.00 N +ATOM 1807 CA ASP A 122 10.910 4.786 -11.948 1.00 0.00 C +ATOM 1808 C ASP A 122 10.259 4.885 -10.567 1.00 0.00 C +ATOM 1809 O ASP A 122 10.637 4.163 -9.645 1.00 0.00 O +ATOM 1810 CB ASP A 122 10.991 3.306 -12.327 1.00 0.00 C +ATOM 1811 CG ASP A 122 10.738 3.003 -13.805 1.00 0.00 C +ATOM 1812 OD1 ASP A 122 10.639 3.917 -14.637 1.00 0.00 O +ATOM 1813 OD2 ASP A 122 10.640 1.750 -14.096 1.00 0.00 O +ATOM 1814 H ASP A 122 12.355 6.081 -11.191 1.00 0.00 H +ATOM 1815 HA ASP A 122 10.367 5.350 -12.706 1.00 0.00 H +ATOM 1816 HB2 ASP A 122 11.979 2.931 -12.059 1.00 0.00 H +ATOM 1817 HB3 ASP A 122 10.267 2.753 -11.729 1.00 0.00 H +ATOM 1818 N LYS A 123 9.291 5.785 -10.467 1.00 0.00 N +ATOM 1819 CA LYS A 123 8.584 5.988 -9.214 1.00 0.00 C +ATOM 1820 C LYS A 123 7.583 4.849 -9.008 1.00 0.00 C +ATOM 1821 O LYS A 123 6.386 5.022 -9.231 1.00 0.00 O +ATOM 1822 CB LYS A 123 7.948 7.379 -9.177 1.00 0.00 C +ATOM 1823 CG LYS A 123 8.166 8.045 -7.817 1.00 0.00 C +ATOM 1824 CD LYS A 123 7.635 7.165 -6.684 1.00 0.00 C +ATOM 1825 CE LYS A 123 8.682 6.998 -5.582 1.00 0.00 C +ATOM 1826 NZ LYS A 123 8.027 6.793 -4.270 1.00 0.00 N +ATOM 1827 H LYS A 123 8.990 6.368 -11.222 1.00 0.00 H +ATOM 1828 HA LYS A 123 9.322 5.949 -8.413 1.00 0.00 H +ATOM 1829 HB2 LYS A 123 8.377 8.000 -9.963 1.00 0.00 H +ATOM 1830 HB3 LYS A 123 6.880 7.300 -9.380 1.00 0.00 H +ATOM 1831 HG2 LYS A 123 9.229 8.234 -7.667 1.00 0.00 H +ATOM 1832 HG3 LYS A 123 7.665 9.012 -7.797 1.00 0.00 H +ATOM 1833 HD2 LYS A 123 6.731 7.610 -6.267 1.00 0.00 H +ATOM 1834 HD3 LYS A 123 7.356 6.188 -7.078 1.00 0.00 H +ATOM 1835 HE2 LYS A 123 9.326 6.148 -5.810 1.00 0.00 H +ATOM 1836 HE3 LYS A 123 9.321 7.880 -5.542 1.00 0.00 H +ATOM 1837 HZ1 LYS A 123 7.713 7.666 -3.862 1.00 0.00 H +ATOM 1838 HZ2 LYS A 123 7.213 6.193 -4.342 1.00 0.00 H +ATOM 1839 N ARG A 124 8.111 3.709 -8.585 1.00 0.00 N +ATOM 1840 CA ARG A 124 7.279 2.542 -8.347 1.00 0.00 C +ATOM 1841 C ARG A 124 8.149 1.293 -8.190 1.00 0.00 C +ATOM 1842 O ARG A 124 7.780 0.361 -7.479 1.00 0.00 O +ATOM 1843 CB ARG A 124 6.291 2.326 -9.495 1.00 0.00 C +ATOM 1844 CG ARG A 124 6.985 2.475 -10.851 1.00 0.00 C +ATOM 1845 CD ARG A 124 7.054 1.132 -11.581 1.00 0.00 C +ATOM 1846 NE ARG A 124 6.164 1.153 -12.763 1.00 0.00 N +ATOM 1847 CZ ARG A 124 4.861 0.801 -12.736 1.00 0.00 C +ATOM 1848 NH1 ARG A 124 4.284 0.397 -11.583 1.00 0.00 N +ATOM 1849 NH2 ARG A 124 4.159 0.857 -13.852 1.00 0.00 N +ATOM 1850 H ARG A 124 9.086 3.577 -8.406 1.00 0.00 H +ATOM 1851 HA ARG A 124 6.744 2.766 -7.424 1.00 0.00 H +ATOM 1852 HB2 ARG A 124 5.848 1.334 -9.416 1.00 0.00 H +ATOM 1853 HB3 ARG A 124 5.476 3.046 -9.418 1.00 0.00 H +ATOM 1854 HG2 ARG A 124 6.445 3.198 -11.462 1.00 0.00 H +ATOM 1855 HG3 ARG A 124 7.991 2.867 -10.707 1.00 0.00 H +ATOM 1856 HD2 ARG A 124 8.079 0.930 -11.891 1.00 0.00 H +ATOM 1857 HD3 ARG A 124 6.760 0.327 -10.908 1.00 0.00 H +ATOM 1858 HE ARG A 124 6.552 1.446 -13.637 1.00 0.00 H +ATOM 1859 HH22 ARG A 124 3.191 0.614 -13.917 1.00 0.00 H +ATOM 1860 N ASN A 125 9.288 1.316 -8.866 1.00 0.00 N +ATOM 1861 CA ASN A 125 10.214 0.197 -8.811 1.00 0.00 C +ATOM 1862 C ASN A 125 10.815 0.107 -7.407 1.00 0.00 C +ATOM 1863 O ASN A 125 10.984 -0.986 -6.869 1.00 0.00 O +ATOM 1864 CB ASN A 125 11.361 0.382 -9.806 1.00 0.00 C +ATOM 1865 CG ASN A 125 12.274 -0.846 -9.823 1.00 0.00 C +ATOM 1866 OD1 ASN A 125 12.243 -1.661 -10.730 1.00 0.00 O +ATOM 1867 ND2 ASN A 125 13.087 -0.931 -8.774 1.00 0.00 N +ATOM 1868 H ASN A 125 9.581 2.079 -9.443 1.00 0.00 H +ATOM 1869 HA ASN A 125 9.619 -0.679 -9.067 1.00 0.00 H +ATOM 1870 HB2 ASN A 125 10.958 0.554 -10.804 1.00 0.00 H +ATOM 1871 HB3 ASN A 125 11.940 1.266 -9.539 1.00 0.00 H +ATOM 1872 HD21 ASN A 125 13.062 -0.227 -8.064 1.00 0.00 H +ATOM 1873 HD22 ASN A 125 13.723 -1.698 -8.695 1.00 0.00 H +ATOM 1874 N CYS A 126 11.122 1.272 -6.854 1.00 0.00 N +ATOM 1875 CA CYS A 126 11.701 1.338 -5.523 1.00 0.00 C +ATOM 1876 C CYS A 126 10.844 0.488 -4.583 1.00 0.00 C +ATOM 1877 O CYS A 126 11.351 -0.415 -3.920 1.00 0.00 O +ATOM 1878 CB CYS A 126 11.827 2.782 -5.032 1.00 0.00 C +ATOM 1879 SG CYS A 126 10.303 3.713 -5.430 1.00 0.00 S +ATOM 1880 H CYS A 126 10.982 2.156 -7.298 1.00 0.00 H +ATOM 1881 HA CYS A 126 12.710 0.932 -5.599 1.00 0.00 H +ATOM 1882 HB2 CYS A 126 12.001 2.795 -3.956 1.00 0.00 H +ATOM 1883 HB3 CYS A 126 12.688 3.260 -5.500 1.00 0.00 H +ATOM 1884 HG CYS A 126 10.461 4.645 -4.494 1.00 0.00 H +ATOM 1885 N LEU A 127 9.558 0.808 -4.555 1.00 0.00 N +ATOM 1886 CA LEU A 127 8.625 0.086 -3.708 1.00 0.00 C +ATOM 1887 C LEU A 127 8.774 -1.416 -3.957 1.00 0.00 C +ATOM 1888 O LEU A 127 9.277 -2.145 -3.102 1.00 0.00 O +ATOM 1889 CB LEU A 127 7.201 0.605 -3.914 1.00 0.00 C +ATOM 1890 CG LEU A 127 6.961 1.418 -5.188 1.00 0.00 C +ATOM 1891 CD1 LEU A 127 5.763 0.874 -5.968 1.00 0.00 C +ATOM 1892 CD2 LEU A 127 6.810 2.906 -4.868 1.00 0.00 C +ATOM 1893 H LEU A 127 9.153 1.544 -5.098 1.00 0.00 H +ATOM 1894 HA LEU A 127 8.897 0.293 -2.672 1.00 0.00 H +ATOM 1895 HB2 LEU A 127 6.521 -0.247 -3.917 1.00 0.00 H +ATOM 1896 HB3 LEU A 127 6.933 1.223 -3.057 1.00 0.00 H +ATOM 1897 HG LEU A 127 7.836 1.313 -5.829 1.00 0.00 H +ATOM 1898 HD11 LEU A 127 5.814 -0.214 -6.001 1.00 0.00 H +ATOM 1899 HD12 LEU A 127 4.840 1.179 -5.475 1.00 0.00 H +ATOM 1900 HD13 LEU A 127 5.780 1.270 -6.983 1.00 0.00 H +ATOM 1901 HD21 LEU A 127 6.749 3.042 -3.789 1.00 0.00 H +ATOM 1902 HD22 LEU A 127 7.672 3.450 -5.255 1.00 0.00 H +ATOM 1903 HD23 LEU A 127 5.901 3.287 -5.334 1.00 0.00 H +ATOM 1904 N ALA A 128 8.329 -1.836 -5.132 1.00 0.00 N +ATOM 1905 CA ALA A 128 8.406 -3.238 -5.505 1.00 0.00 C +ATOM 1906 C ALA A 128 9.775 -3.793 -5.105 1.00 0.00 C +ATOM 1907 O ALA A 128 9.905 -4.979 -4.808 1.00 0.00 O +ATOM 1908 CB ALA A 128 8.133 -3.384 -7.004 1.00 0.00 C +ATOM 1909 H ALA A 128 7.922 -1.237 -5.822 1.00 0.00 H +ATOM 1910 HA ALA A 128 7.632 -3.771 -4.954 1.00 0.00 H +ATOM 1911 HB1 ALA A 128 8.395 -2.456 -7.513 1.00 0.00 H +ATOM 1912 HB2 ALA A 128 8.734 -4.200 -7.404 1.00 0.00 H +ATOM 1913 HB3 ALA A 128 7.077 -3.599 -7.161 1.00 0.00 H +ATOM 1914 N LYS A 129 10.761 -2.908 -5.110 1.00 0.00 N +ATOM 1915 CA LYS A 129 12.115 -3.294 -4.752 1.00 0.00 C +ATOM 1916 C LYS A 129 12.140 -3.755 -3.293 1.00 0.00 C +ATOM 1917 O LYS A 129 12.974 -4.575 -2.912 1.00 0.00 O +ATOM 1918 CB LYS A 129 13.094 -2.158 -5.054 1.00 0.00 C +ATOM 1919 CG LYS A 129 14.435 -2.706 -5.546 1.00 0.00 C +ATOM 1920 CD LYS A 129 15.454 -1.580 -5.730 1.00 0.00 C +ATOM 1921 CE LYS A 129 16.839 -2.008 -5.243 1.00 0.00 C +ATOM 1922 NZ LYS A 129 17.519 -2.830 -6.269 1.00 0.00 N +ATOM 1923 H LYS A 129 10.647 -1.944 -5.353 1.00 0.00 H +ATOM 1924 HA LYS A 129 12.393 -4.136 -5.385 1.00 0.00 H +ATOM 1925 HB2 LYS A 129 12.669 -1.497 -5.809 1.00 0.00 H +ATOM 1926 HB3 LYS A 129 13.249 -1.558 -4.157 1.00 0.00 H +ATOM 1927 HG2 LYS A 129 14.818 -3.435 -4.832 1.00 0.00 H +ATOM 1928 HG3 LYS A 129 14.293 -3.231 -6.491 1.00 0.00 H +ATOM 1929 HD2 LYS A 129 15.505 -1.299 -6.783 1.00 0.00 H +ATOM 1930 HD3 LYS A 129 15.128 -0.697 -5.181 1.00 0.00 H +ATOM 1931 HE2 LYS A 129 17.441 -1.127 -5.018 1.00 0.00 H +ATOM 1932 HE3 LYS A 129 16.746 -2.576 -4.317 1.00 0.00 H +ATOM 1933 HZ1 LYS A 129 16.935 -2.977 -7.086 1.00 0.00 H +ATOM 1934 HZ2 LYS A 129 18.377 -2.399 -6.595 1.00 0.00 H +ATOM 1935 N ALA A 130 11.216 -3.208 -2.517 1.00 0.00 N +ATOM 1936 CA ALA A 130 11.121 -3.553 -1.109 1.00 0.00 C +ATOM 1937 C ALA A 130 10.561 -4.970 -0.972 1.00 0.00 C +ATOM 1938 O ALA A 130 11.100 -5.785 -0.225 1.00 0.00 O +ATOM 1939 CB ALA A 130 10.262 -2.514 -0.385 1.00 0.00 C +ATOM 1940 H ALA A 130 10.541 -2.542 -2.835 1.00 0.00 H +ATOM 1941 HA ALA A 130 12.128 -3.527 -0.692 1.00 0.00 H +ATOM 1942 HB1 ALA A 130 9.512 -2.121 -1.072 1.00 0.00 H +ATOM 1943 HB2 ALA A 130 9.766 -2.982 0.465 1.00 0.00 H +ATOM 1944 HB3 ALA A 130 10.895 -1.700 -0.034 1.00 0.00 H +ATOM 1945 N LEU A 131 9.486 -5.221 -1.705 1.00 0.00 N +ATOM 1946 CA LEU A 131 8.847 -6.526 -1.674 1.00 0.00 C +ATOM 1947 C LEU A 131 9.922 -7.614 -1.654 1.00 0.00 C +ATOM 1948 O LEU A 131 9.848 -8.550 -0.858 1.00 0.00 O +ATOM 1949 CB LEU A 131 7.854 -6.663 -2.830 1.00 0.00 C +ATOM 1950 CG LEU A 131 8.031 -7.892 -3.724 1.00 0.00 C +ATOM 1951 CD1 LEU A 131 8.025 -9.178 -2.895 1.00 0.00 C +ATOM 1952 CD2 LEU A 131 6.978 -7.920 -4.833 1.00 0.00 C +ATOM 1953 H LEU A 131 9.054 -4.553 -2.310 1.00 0.00 H +ATOM 1954 HA LEU A 131 8.275 -6.588 -0.749 1.00 0.00 H +ATOM 1955 HB2 LEU A 131 6.846 -6.681 -2.417 1.00 0.00 H +ATOM 1956 HB3 LEU A 131 7.928 -5.772 -3.454 1.00 0.00 H +ATOM 1957 HG LEU A 131 9.006 -7.826 -4.207 1.00 0.00 H +ATOM 1958 HD11 LEU A 131 7.890 -8.931 -1.842 1.00 0.00 H +ATOM 1959 HD12 LEU A 131 7.208 -9.820 -3.225 1.00 0.00 H +ATOM 1960 HD13 LEU A 131 8.973 -9.700 -3.027 1.00 0.00 H +ATOM 1961 HD21 LEU A 131 6.659 -6.902 -5.057 1.00 0.00 H +ATOM 1962 HD22 LEU A 131 7.404 -8.373 -5.728 1.00 0.00 H +ATOM 1963 HD23 LEU A 131 6.119 -8.506 -4.504 1.00 0.00 H +ATOM 1964 N ASP A 132 10.896 -7.457 -2.538 1.00 0.00 N +ATOM 1965 CA ASP A 132 11.984 -8.415 -2.632 1.00 0.00 C +ATOM 1966 C ASP A 132 12.854 -8.316 -1.377 1.00 0.00 C +ATOM 1967 O ASP A 132 13.313 -9.330 -0.854 1.00 0.00 O +ATOM 1968 CB ASP A 132 12.870 -8.125 -3.845 1.00 0.00 C +ATOM 1969 CG ASP A 132 14.299 -8.663 -3.745 1.00 0.00 C +ATOM 1970 OD1 ASP A 132 15.174 -8.039 -3.126 1.00 0.00 O +ATOM 1971 OD2 ASP A 132 14.502 -9.787 -4.345 1.00 0.00 O +ATOM 1972 H ASP A 132 10.949 -6.693 -3.182 1.00 0.00 H +ATOM 1973 HA ASP A 132 11.502 -9.387 -2.729 1.00 0.00 H +ATOM 1974 HB2 ASP A 132 12.399 -8.552 -4.730 1.00 0.00 H +ATOM 1975 HB3 ASP A 132 12.913 -7.047 -3.996 1.00 0.00 H +ATOM 1976 N GLU A 133 13.054 -7.085 -0.930 1.00 0.00 N +ATOM 1977 CA GLU A 133 13.861 -6.840 0.254 1.00 0.00 C +ATOM 1978 C GLU A 133 13.155 -7.382 1.498 1.00 0.00 C +ATOM 1979 O GLU A 133 13.679 -8.261 2.180 1.00 0.00 O +ATOM 1980 CB GLU A 133 14.174 -5.350 0.405 1.00 0.00 C +ATOM 1981 CG GLU A 133 15.309 -4.930 -0.531 1.00 0.00 C +ATOM 1982 CD GLU A 133 15.188 -3.453 -0.911 1.00 0.00 C +ATOM 1983 OE1 GLU A 133 14.184 -3.048 -1.515 1.00 0.00 O +ATOM 1984 OE2 GLU A 133 16.184 -2.715 -0.554 1.00 0.00 O +ATOM 1985 H GLU A 133 12.677 -6.265 -1.361 1.00 0.00 H +ATOM 1986 HA GLU A 133 14.790 -7.385 0.088 1.00 0.00 H +ATOM 1987 HB2 GLU A 133 13.282 -4.763 0.187 1.00 0.00 H +ATOM 1988 HB3 GLU A 133 14.451 -5.137 1.438 1.00 0.00 H +ATOM 1989 HG2 GLU A 133 16.269 -5.107 -0.047 1.00 0.00 H +ATOM 1990 HG3 GLU A 133 15.288 -5.544 -1.432 1.00 0.00 H +ATOM 1991 N VAL A 134 11.977 -6.834 1.757 1.00 0.00 N +ATOM 1992 CA VAL A 134 11.194 -7.251 2.907 1.00 0.00 C +ATOM 1993 C VAL A 134 11.228 -8.777 3.016 1.00 0.00 C +ATOM 1994 O VAL A 134 11.372 -9.321 4.110 1.00 0.00 O +ATOM 1995 CB VAL A 134 9.773 -6.691 2.804 1.00 0.00 C +ATOM 1996 CG1 VAL A 134 9.434 -6.319 1.360 1.00 0.00 C +ATOM 1997 CG2 VAL A 134 8.752 -7.680 3.370 1.00 0.00 C +ATOM 1998 H VAL A 134 11.557 -6.119 1.197 1.00 0.00 H +ATOM 1999 HA VAL A 134 11.661 -6.825 3.795 1.00 0.00 H +ATOM 2000 HB VAL A 134 9.727 -5.782 3.404 1.00 0.00 H +ATOM 2001 HG11 VAL A 134 9.922 -7.018 0.680 1.00 0.00 H +ATOM 2002 HG12 VAL A 134 8.355 -6.366 1.216 1.00 0.00 H +ATOM 2003 HG13 VAL A 134 9.784 -5.308 1.153 1.00 0.00 H +ATOM 2004 HG21 VAL A 134 9.263 -8.411 3.997 1.00 0.00 H +ATOM 2005 HG22 VAL A 134 8.016 -7.141 3.967 1.00 0.00 H +ATOM 2006 HG23 VAL A 134 8.249 -8.193 2.550 1.00 0.00 H +ATOM 2007 N LYS A 135 11.095 -9.424 1.868 1.00 0.00 N +ATOM 2008 CA LYS A 135 11.109 -10.876 1.820 1.00 0.00 C +ATOM 2009 C LYS A 135 12.535 -11.375 2.064 1.00 0.00 C +ATOM 2010 O LYS A 135 12.733 -12.419 2.683 1.00 0.00 O +ATOM 2011 CB LYS A 135 10.498 -11.375 0.510 1.00 0.00 C +ATOM 2012 CG LYS A 135 11.036 -12.761 0.147 1.00 0.00 C +ATOM 2013 CD LYS A 135 10.793 -13.073 -1.331 1.00 0.00 C +ATOM 2014 CE LYS A 135 11.207 -11.895 -2.216 1.00 0.00 C +ATOM 2015 NZ LYS A 135 11.547 -12.364 -3.578 1.00 0.00 N +ATOM 2016 H LYS A 135 10.978 -8.973 0.982 1.00 0.00 H +ATOM 2017 HA LYS A 135 10.474 -11.235 2.630 1.00 0.00 H +ATOM 2018 HB2 LYS A 135 9.412 -11.416 0.602 1.00 0.00 H +ATOM 2019 HB3 LYS A 135 10.723 -10.672 -0.292 1.00 0.00 H +ATOM 2020 HG2 LYS A 135 12.104 -12.807 0.361 1.00 0.00 H +ATOM 2021 HG3 LYS A 135 10.553 -13.516 0.766 1.00 0.00 H +ATOM 2022 HD2 LYS A 135 11.356 -13.962 -1.616 1.00 0.00 H +ATOM 2023 HD3 LYS A 135 9.739 -13.299 -1.491 1.00 0.00 H +ATOM 2024 HE2 LYS A 135 10.396 -11.168 -2.267 1.00 0.00 H +ATOM 2025 HE3 LYS A 135 12.064 -11.386 -1.776 1.00 0.00 H +ATOM 2026 HZ1 LYS A 135 10.768 -12.837 -4.023 1.00 0.00 H +ATOM 2027 HZ2 LYS A 135 11.813 -11.599 -4.188 1.00 0.00 H +ATOM 2028 N THR A 136 13.491 -10.607 1.563 1.00 0.00 N +ATOM 2029 CA THR A 136 14.892 -10.958 1.718 1.00 0.00 C +ATOM 2030 C THR A 136 15.243 -11.110 3.200 1.00 0.00 C +ATOM 2031 O THR A 136 16.168 -11.839 3.551 1.00 0.00 O +ATOM 2032 CB THR A 136 15.728 -9.897 1.001 1.00 0.00 C +ATOM 2033 OG1 THR A 136 16.883 -10.605 0.559 1.00 0.00 O +ATOM 2034 CG2 THR A 136 16.283 -8.842 1.961 1.00 0.00 C +ATOM 2035 H THR A 136 13.321 -9.759 1.060 1.00 0.00 H +ATOM 2036 HA THR A 136 15.056 -11.929 1.250 1.00 0.00 H +ATOM 2037 HB THR A 136 15.159 -9.431 0.197 1.00 0.00 H +ATOM 2038 HG1 THR A 136 17.371 -10.987 1.343 1.00 0.00 H +ATOM 2039 HG21 THR A 136 15.652 -8.790 2.848 1.00 0.00 H +ATOM 2040 HG22 THR A 136 17.298 -9.113 2.251 1.00 0.00 H +ATOM 2041 HG23 THR A 136 16.293 -7.870 1.466 1.00 0.00 H +ATOM 2042 N ALA A 137 14.484 -10.408 4.029 1.00 0.00 N +ATOM 2043 CA ALA A 137 14.703 -10.455 5.465 1.00 0.00 C +ATOM 2044 C ALA A 137 13.650 -11.359 6.108 1.00 0.00 C +ATOM 2045 O ALA A 137 13.984 -12.252 6.886 1.00 0.00 O +ATOM 2046 CB ALA A 137 14.678 -9.034 6.032 1.00 0.00 C +ATOM 2047 H ALA A 137 13.733 -9.817 3.736 1.00 0.00 H +ATOM 2048 HA ALA A 137 15.691 -10.883 5.636 1.00 0.00 H +ATOM 2049 HB1 ALA A 137 13.915 -8.451 5.517 1.00 0.00 H +ATOM 2050 HB2 ALA A 137 14.448 -9.072 7.097 1.00 0.00 H +ATOM 2051 HB3 ALA A 137 15.652 -8.567 5.888 1.00 0.00 H +ATOM 2052 N PHE A 138 12.399 -11.096 5.760 1.00 0.00 N +ATOM 2053 CA PHE A 138 11.294 -11.874 6.294 1.00 0.00 C +ATOM 2054 C PHE A 138 10.548 -12.605 5.176 1.00 0.00 C +ATOM 2055 O PHE A 138 9.366 -12.354 4.946 1.00 0.00 O +ATOM 2056 CB PHE A 138 10.338 -10.889 6.970 1.00 0.00 C +ATOM 2057 CG PHE A 138 10.608 -9.424 6.624 1.00 0.00 C +ATOM 2058 CD1 PHE A 138 11.846 -8.895 6.820 1.00 0.00 C +ATOM 2059 CD2 PHE A 138 9.610 -8.649 6.121 1.00 0.00 C +ATOM 2060 CE1 PHE A 138 12.096 -7.535 6.499 1.00 0.00 C +ATOM 2061 CE2 PHE A 138 9.860 -7.288 5.800 1.00 0.00 C +ATOM 2062 CZ PHE A 138 11.098 -6.760 5.996 1.00 0.00 C +ATOM 2063 H PHE A 138 12.136 -10.368 5.127 1.00 0.00 H +ATOM 2064 HA PHE A 138 11.716 -12.605 6.984 1.00 0.00 H +ATOM 2065 HB2 PHE A 138 9.316 -11.137 6.684 1.00 0.00 H +ATOM 2066 HB3 PHE A 138 10.407 -11.016 8.050 1.00 0.00 H +ATOM 2067 HD1 PHE A 138 12.646 -9.517 7.223 1.00 0.00 H +ATOM 2068 HD2 PHE A 138 8.618 -9.072 5.964 1.00 0.00 H +ATOM 2069 HE1 PHE A 138 13.089 -7.112 6.656 1.00 0.00 H +ATOM 2070 HE2 PHE A 138 9.061 -6.667 5.397 1.00 0.00 H +ATOM 2071 HZ PHE A 138 11.291 -5.716 5.750 1.00 0.00 H +ATOM 2072 N PRO A 139 11.288 -13.519 4.492 1.00 0.00 N +ATOM 2073 CA PRO A 139 10.708 -14.288 3.404 1.00 0.00 C +ATOM 2074 C PRO A 139 9.784 -15.384 3.938 1.00 0.00 C +ATOM 2075 O PRO A 139 9.926 -15.819 5.080 1.00 0.00 O +ATOM 2076 CB PRO A 139 11.898 -14.837 2.633 1.00 0.00 C +ATOM 2077 CG PRO A 139 13.085 -14.745 3.579 1.00 0.00 C +ATOM 2078 CD PRO A 139 12.690 -13.843 4.737 1.00 0.00 C +ATOM 2079 HA PRO A 139 10.135 -13.702 2.832 1.00 0.00 H +ATOM 2080 HB2 PRO A 139 11.722 -15.868 2.326 1.00 0.00 H +ATOM 2081 HB3 PRO A 139 12.076 -14.260 1.726 1.00 0.00 H +ATOM 2082 HG2 PRO A 139 13.361 -15.734 3.942 1.00 0.00 H +ATOM 2083 HG3 PRO A 139 13.955 -14.341 3.060 1.00 0.00 H +ATOM 2084 HD2 PRO A 139 12.818 -14.349 5.694 1.00 0.00 H +ATOM 2085 HD3 PRO A 139 13.305 -12.944 4.766 1.00 0.00 H +ATOM 2086 N ARG A 140 8.858 -15.800 3.086 1.00 0.00 N +ATOM 2087 CA ARG A 140 7.911 -16.837 3.459 1.00 0.00 C +ATOM 2088 C ARG A 140 6.633 -16.712 2.628 1.00 0.00 C +ATOM 2089 O ARG A 140 6.589 -15.953 1.661 1.00 0.00 O +ATOM 2090 CB ARG A 140 7.557 -16.752 4.944 1.00 0.00 C +ATOM 2091 CG ARG A 140 8.362 -17.765 5.760 1.00 0.00 C +ATOM 2092 CD ARG A 140 8.546 -17.287 7.202 1.00 0.00 C +ATOM 2093 NE ARG A 140 9.087 -18.384 8.034 1.00 0.00 N +ATOM 2094 CZ ARG A 140 9.606 -18.213 9.268 1.00 0.00 C +ATOM 2095 NH1 ARG A 140 9.659 -16.984 9.825 1.00 0.00 N +ATOM 2096 NH2 ARG A 140 10.061 -19.265 9.923 1.00 0.00 N +ATOM 2097 H ARG A 140 8.750 -15.441 2.159 1.00 0.00 H +ATOM 2098 HA ARG A 140 8.427 -17.774 3.246 1.00 0.00 H +ATOM 2099 HB2 ARG A 140 7.754 -15.745 5.312 1.00 0.00 H +ATOM 2100 HB3 ARG A 140 6.491 -16.937 5.079 1.00 0.00 H +ATOM 2101 HG2 ARG A 140 7.853 -18.729 5.755 1.00 0.00 H +ATOM 2102 HG3 ARG A 140 9.337 -17.917 5.297 1.00 0.00 H +ATOM 2103 HD2 ARG A 140 9.223 -16.433 7.227 1.00 0.00 H +ATOM 2104 HD3 ARG A 140 7.591 -16.949 7.606 1.00 0.00 H +ATOM 2105 HE ARG A 140 9.067 -19.311 7.659 1.00 0.00 H +ATOM 2106 HH22 ARG A 140 10.460 -19.224 10.839 1.00 0.00 H +ATOM 2107 N ASP A 141 5.624 -17.467 3.035 1.00 0.00 N +ATOM 2108 CA ASP A 141 4.348 -17.450 2.341 1.00 0.00 C +ATOM 2109 C ASP A 141 3.455 -16.366 2.949 1.00 0.00 C +ATOM 2110 O ASP A 141 3.648 -15.180 2.687 1.00 0.00 O +ATOM 2111 CB ASP A 141 3.625 -18.791 2.482 1.00 0.00 C +ATOM 2112 CG ASP A 141 4.209 -19.931 1.646 1.00 0.00 C +ATOM 2113 OD1 ASP A 141 4.317 -19.683 0.384 1.00 0.00 O +ATOM 2114 OD2 ASP A 141 4.544 -21.003 2.172 1.00 0.00 O +ATOM 2115 H ASP A 141 5.668 -18.082 3.823 1.00 0.00 H +ATOM 2116 HA ASP A 141 4.592 -17.252 1.297 1.00 0.00 H +ATOM 2117 HB2 ASP A 141 3.640 -19.086 3.531 1.00 0.00 H +ATOM 2118 HB3 ASP A 141 2.580 -18.655 2.204 1.00 0.00 H +ATOM 2119 N MET A 142 2.499 -16.812 3.749 1.00 0.00 N +ATOM 2120 CA MET A 142 1.576 -15.895 4.397 1.00 0.00 C +ATOM 2121 C MET A 142 2.320 -14.935 5.328 1.00 0.00 C +ATOM 2122 O MET A 142 1.917 -13.785 5.491 1.00 0.00 O +ATOM 2123 CB MET A 142 0.546 -16.690 5.201 1.00 0.00 C +ATOM 2124 CG MET A 142 1.110 -17.099 6.563 1.00 0.00 C +ATOM 2125 SD MET A 142 -0.044 -18.171 7.404 1.00 0.00 S +ATOM 2126 CE MET A 142 0.817 -18.398 8.951 1.00 0.00 C +ATOM 2127 H MET A 142 2.349 -17.779 3.957 1.00 0.00 H +ATOM 2128 HA MET A 142 1.104 -15.336 3.589 1.00 0.00 H +ATOM 2129 HB2 MET A 142 -0.353 -16.090 5.341 1.00 0.00 H +ATOM 2130 HB3 MET A 142 0.251 -17.579 4.643 1.00 0.00 H +ATOM 2131 HG2 MET A 142 2.064 -17.610 6.432 1.00 0.00 H +ATOM 2132 HG3 MET A 142 1.303 -16.213 7.167 1.00 0.00 H +ATOM 2133 HE1 MET A 142 1.866 -18.128 8.827 1.00 0.00 H +ATOM 2134 HE2 MET A 142 0.366 -17.764 9.715 1.00 0.00 H +ATOM 2135 HE3 MET A 142 0.745 -19.442 9.257 1.00 0.00 H +ATOM 2136 N GLU A 143 3.394 -15.444 5.914 1.00 0.00 N +ATOM 2137 CA GLU A 143 4.198 -14.647 6.825 1.00 0.00 C +ATOM 2138 C GLU A 143 4.916 -13.532 6.061 1.00 0.00 C +ATOM 2139 O GLU A 143 4.684 -12.351 6.315 1.00 0.00 O +ATOM 2140 CB GLU A 143 5.197 -15.522 7.585 1.00 0.00 C +ATOM 2141 CG GLU A 143 5.112 -15.268 9.091 1.00 0.00 C +ATOM 2142 CD GLU A 143 6.481 -14.890 9.661 1.00 0.00 C +ATOM 2143 OE1 GLU A 143 7.478 -15.575 9.386 1.00 0.00 O +ATOM 2144 OE2 GLU A 143 6.487 -13.843 10.414 1.00 0.00 O +ATOM 2145 H GLU A 143 3.716 -16.381 5.776 1.00 0.00 H +ATOM 2146 HA GLU A 143 3.491 -14.214 7.533 1.00 0.00 H +ATOM 2147 HB2 GLU A 143 4.996 -16.573 7.378 1.00 0.00 H +ATOM 2148 HB3 GLU A 143 6.208 -15.315 7.234 1.00 0.00 H +ATOM 2149 HG2 GLU A 143 4.398 -14.469 9.290 1.00 0.00 H +ATOM 2150 HG3 GLU A 143 4.739 -16.161 9.594 1.00 0.00 H +ATOM 2151 N ASN A 144 5.774 -13.947 5.141 1.00 0.00 N +ATOM 2152 CA ASN A 144 6.528 -12.998 4.339 1.00 0.00 C +ATOM 2153 C ASN A 144 5.572 -12.252 3.406 1.00 0.00 C +ATOM 2154 O ASN A 144 5.472 -11.028 3.464 1.00 0.00 O +ATOM 2155 CB ASN A 144 7.569 -13.713 3.475 1.00 0.00 C +ATOM 2156 CG ASN A 144 8.017 -12.827 2.311 1.00 0.00 C +ATOM 2157 OD1 ASN A 144 8.370 -11.671 2.476 1.00 0.00 O +ATOM 2158 ND2 ASN A 144 7.982 -13.431 1.126 1.00 0.00 N +ATOM 2159 H ASN A 144 5.958 -14.909 4.940 1.00 0.00 H +ATOM 2160 HA ASN A 144 7.011 -12.336 5.057 1.00 0.00 H +ATOM 2161 HB2 ASN A 144 8.432 -13.980 4.085 1.00 0.00 H +ATOM 2162 HB3 ASN A 144 7.151 -14.642 3.089 1.00 0.00 H +ATOM 2163 HD21 ASN A 144 7.681 -14.382 1.059 1.00 0.00 H +ATOM 2164 HD22 ASN A 144 8.256 -12.934 0.303 1.00 0.00 H +ATOM 2165 N ASP A 145 4.892 -13.022 2.569 1.00 0.00 N +ATOM 2166 CA ASP A 145 3.947 -12.449 1.625 1.00 0.00 C +ATOM 2167 C ASP A 145 3.173 -11.319 2.308 1.00 0.00 C +ATOM 2168 O ASP A 145 3.116 -10.203 1.794 1.00 0.00 O +ATOM 2169 CB ASP A 145 2.936 -13.497 1.154 1.00 0.00 C +ATOM 2170 CG ASP A 145 2.023 -13.046 0.012 1.00 0.00 C +ATOM 2171 OD1 ASP A 145 1.245 -12.091 0.155 1.00 0.00 O +ATOM 2172 OD2 ASP A 145 2.134 -13.729 -1.077 1.00 0.00 O +ATOM 2173 H ASP A 145 4.979 -14.018 2.529 1.00 0.00 H +ATOM 2174 HA ASP A 145 4.553 -12.095 0.792 1.00 0.00 H +ATOM 2175 HB2 ASP A 145 3.480 -14.386 0.835 1.00 0.00 H +ATOM 2176 HB3 ASP A 145 2.316 -13.789 2.001 1.00 0.00 H +ATOM 2177 N LYS A 146 2.596 -11.649 3.454 1.00 0.00 N +ATOM 2178 CA LYS A 146 1.828 -10.675 4.212 1.00 0.00 C +ATOM 2179 C LYS A 146 2.767 -9.586 4.734 1.00 0.00 C +ATOM 2180 O LYS A 146 2.356 -8.440 4.911 1.00 0.00 O +ATOM 2181 CB LYS A 146 1.020 -11.369 5.310 1.00 0.00 C +ATOM 2182 CG LYS A 146 -0.019 -10.418 5.910 1.00 0.00 C +ATOM 2183 CD LYS A 146 -0.379 -10.831 7.338 1.00 0.00 C +ATOM 2184 CE LYS A 146 -0.995 -12.231 7.366 1.00 0.00 C +ATOM 2185 NZ LYS A 146 -2.132 -12.279 8.311 1.00 0.00 N +ATOM 2186 H LYS A 146 2.647 -12.559 3.865 1.00 0.00 H +ATOM 2187 HA LYS A 146 1.115 -10.217 3.527 1.00 0.00 H +ATOM 2188 HB2 LYS A 146 0.521 -12.247 4.901 1.00 0.00 H +ATOM 2189 HB3 LYS A 146 1.691 -11.721 6.094 1.00 0.00 H +ATOM 2190 HG2 LYS A 146 0.371 -9.401 5.909 1.00 0.00 H +ATOM 2191 HG3 LYS A 146 -0.915 -10.417 5.291 1.00 0.00 H +ATOM 2192 HD2 LYS A 146 0.513 -10.810 7.963 1.00 0.00 H +ATOM 2193 HD3 LYS A 146 -1.082 -10.113 7.762 1.00 0.00 H +ATOM 2194 HE2 LYS A 146 -1.333 -12.506 6.367 1.00 0.00 H +ATOM 2195 HE3 LYS A 146 -0.240 -12.961 7.659 1.00 0.00 H +ATOM 2196 HZ1 LYS A 146 -2.067 -13.069 8.944 1.00 0.00 H +ATOM 2197 HZ2 LYS A 146 -2.184 -11.446 8.887 1.00 0.00 H +ATOM 2198 N ALA A 147 4.010 -9.982 4.966 1.00 0.00 N +ATOM 2199 CA ALA A 147 5.010 -9.054 5.464 1.00 0.00 C +ATOM 2200 C ALA A 147 5.238 -7.952 4.428 1.00 0.00 C +ATOM 2201 O ALA A 147 5.036 -6.773 4.715 1.00 0.00 O +ATOM 2202 CB ALA A 147 6.295 -9.816 5.796 1.00 0.00 C +ATOM 2203 H ALA A 147 4.336 -10.916 4.820 1.00 0.00 H +ATOM 2204 HA ALA A 147 4.622 -8.606 6.379 1.00 0.00 H +ATOM 2205 HB1 ALA A 147 6.066 -10.874 5.924 1.00 0.00 H +ATOM 2206 HB2 ALA A 147 7.010 -9.694 4.983 1.00 0.00 H +ATOM 2207 HB3 ALA A 147 6.722 -9.423 6.719 1.00 0.00 H +ATOM 2208 N MET A 148 5.656 -8.374 3.244 1.00 0.00 N +ATOM 2209 CA MET A 148 5.914 -7.438 2.163 1.00 0.00 C +ATOM 2210 C MET A 148 4.726 -6.495 1.960 1.00 0.00 C +ATOM 2211 O MET A 148 4.908 -5.289 1.799 1.00 0.00 O +ATOM 2212 CB MET A 148 6.179 -8.211 0.870 1.00 0.00 C +ATOM 2213 CG MET A 148 4.906 -8.327 0.029 1.00 0.00 C +ATOM 2214 SD MET A 148 5.327 -8.599 -1.684 1.00 0.00 S +ATOM 2215 CE MET A 148 5.084 -10.364 -1.786 1.00 0.00 C +ATOM 2216 H MET A 148 5.819 -9.335 3.018 1.00 0.00 H +ATOM 2217 HA MET A 148 6.791 -6.868 2.472 1.00 0.00 H +ATOM 2218 HB2 MET A 148 6.955 -7.707 0.293 1.00 0.00 H +ATOM 2219 HB3 MET A 148 6.554 -9.207 1.107 1.00 0.00 H +ATOM 2220 HG2 MET A 148 4.291 -9.149 0.396 1.00 0.00 H +ATOM 2221 HG3 MET A 148 4.312 -7.417 0.126 1.00 0.00 H +ATOM 2222 HE1 MET A 148 5.569 -10.847 -0.938 1.00 0.00 H +ATOM 2223 HE2 MET A 148 4.017 -10.585 -1.769 1.00 0.00 H +ATOM 2224 HE3 MET A 148 5.517 -10.737 -2.714 1.00 0.00 H +ATOM 2225 N LEU A 149 3.538 -7.080 1.975 1.00 0.00 N +ATOM 2226 CA LEU A 149 2.321 -6.307 1.794 1.00 0.00 C +ATOM 2227 C LEU A 149 2.303 -5.151 2.797 1.00 0.00 C +ATOM 2228 O LEU A 149 1.960 -4.024 2.443 1.00 0.00 O +ATOM 2229 CB LEU A 149 1.092 -7.214 1.880 1.00 0.00 C +ATOM 2230 CG LEU A 149 0.339 -7.448 0.569 1.00 0.00 C +ATOM 2231 CD1 LEU A 149 0.050 -6.124 -0.142 1.00 0.00 C +ATOM 2232 CD2 LEU A 149 1.094 -8.428 -0.331 1.00 0.00 C +ATOM 2233 H LEU A 149 3.399 -8.061 2.107 1.00 0.00 H +ATOM 2234 HA LEU A 149 2.345 -5.890 0.787 1.00 0.00 H +ATOM 2235 HB2 LEU A 149 1.406 -8.181 2.273 1.00 0.00 H +ATOM 2236 HB3 LEU A 149 0.398 -6.786 2.603 1.00 0.00 H +ATOM 2237 HG LEU A 149 -0.624 -7.903 0.804 1.00 0.00 H +ATOM 2238 HD11 LEU A 149 -0.007 -5.322 0.594 1.00 0.00 H +ATOM 2239 HD12 LEU A 149 0.850 -5.910 -0.850 1.00 0.00 H +ATOM 2240 HD13 LEU A 149 -0.898 -6.197 -0.675 1.00 0.00 H +ATOM 2241 HD21 LEU A 149 1.888 -8.909 0.242 1.00 0.00 H +ATOM 2242 HD22 LEU A 149 0.404 -9.186 -0.702 1.00 0.00 H +ATOM 2243 HD23 LEU A 149 1.529 -7.889 -1.172 1.00 0.00 H +ATOM 2244 N ILE A 150 2.675 -5.471 4.027 1.00 0.00 N +ATOM 2245 CA ILE A 150 2.706 -4.473 5.083 1.00 0.00 C +ATOM 2246 C ILE A 150 3.549 -3.281 4.628 1.00 0.00 C +ATOM 2247 O ILE A 150 3.286 -2.145 5.019 1.00 0.00 O +ATOM 2248 CB ILE A 150 3.183 -5.098 6.396 1.00 0.00 C +ATOM 2249 CG1 ILE A 150 4.709 -5.053 6.502 1.00 0.00 C +ATOM 2250 CG2 ILE A 150 2.638 -6.518 6.558 1.00 0.00 C +ATOM 2251 CD1 ILE A 150 5.159 -3.975 7.490 1.00 0.00 C +ATOM 2252 H ILE A 150 2.952 -6.391 4.306 1.00 0.00 H +ATOM 2253 HA ILE A 150 1.683 -4.133 5.241 1.00 0.00 H +ATOM 2254 HB ILE A 150 2.786 -4.505 7.220 1.00 0.00 H +ATOM 2255 HG12 ILE A 150 5.082 -6.025 6.824 1.00 0.00 H +ATOM 2256 HG13 ILE A 150 5.139 -4.855 5.521 1.00 0.00 H +ATOM 2257 HG21 ILE A 150 1.752 -6.640 5.935 1.00 0.00 H +ATOM 2258 HG22 ILE A 150 3.399 -7.236 6.252 1.00 0.00 H +ATOM 2259 HG23 ILE A 150 2.375 -6.690 7.602 1.00 0.00 H +ATOM 2260 HD11 ILE A 150 4.301 -3.632 8.069 1.00 0.00 H +ATOM 2261 HD12 ILE A 150 5.910 -4.389 8.163 1.00 0.00 H +ATOM 2262 HD13 ILE A 150 5.586 -3.136 6.942 1.00 0.00 H +ATOM 2263 N MET A 151 4.545 -3.580 3.807 1.00 0.00 N +ATOM 2264 CA MET A 151 5.428 -2.546 3.293 1.00 0.00 C +ATOM 2265 C MET A 151 4.661 -1.556 2.415 1.00 0.00 C +ATOM 2266 O MET A 151 4.698 -0.350 2.653 1.00 0.00 O +ATOM 2267 CB MET A 151 6.549 -3.192 2.477 1.00 0.00 C +ATOM 2268 CG MET A 151 7.191 -4.349 3.245 1.00 0.00 C +ATOM 2269 SD MET A 151 7.652 -3.812 4.884 1.00 0.00 S +ATOM 2270 CE MET A 151 9.427 -3.960 4.771 1.00 0.00 C +ATOM 2271 H MET A 151 4.752 -4.507 3.493 1.00 0.00 H +ATOM 2272 HA MET A 151 5.821 -2.034 4.172 1.00 0.00 H +ATOM 2273 HB2 MET A 151 6.151 -3.556 1.530 1.00 0.00 H +ATOM 2274 HB3 MET A 151 7.307 -2.445 2.238 1.00 0.00 H +ATOM 2275 HG2 MET A 151 6.494 -5.184 3.310 1.00 0.00 H +ATOM 2276 HG3 MET A 151 8.070 -4.708 2.711 1.00 0.00 H +ATOM 2277 HE1 MET A 151 9.726 -3.955 3.723 1.00 0.00 H +ATOM 2278 HE2 MET A 151 9.895 -3.122 5.287 1.00 0.00 H +ATOM 2279 HE3 MET A 151 9.744 -4.894 5.235 1.00 0.00 H +ATOM 2280 N THR A 152 3.983 -2.103 1.416 1.00 0.00 N +ATOM 2281 CA THR A 152 3.208 -1.283 0.500 1.00 0.00 C +ATOM 2282 C THR A 152 2.436 -0.209 1.269 1.00 0.00 C +ATOM 2283 O THR A 152 2.527 0.975 0.948 1.00 0.00 O +ATOM 2284 CB THR A 152 2.307 -2.210 -0.318 1.00 0.00 C +ATOM 2285 OG1 THR A 152 2.230 -1.581 -1.595 1.00 0.00 O +ATOM 2286 CG2 THR A 152 0.862 -2.214 0.183 1.00 0.00 C +ATOM 2287 H THR A 152 3.958 -3.085 1.229 1.00 0.00 H +ATOM 2288 HA THR A 152 3.899 -0.765 -0.166 1.00 0.00 H +ATOM 2289 HB THR A 152 2.713 -3.221 -0.346 1.00 0.00 H +ATOM 2290 HG1 THR A 152 1.770 -2.185 -2.246 1.00 0.00 H +ATOM 2291 HG21 THR A 152 0.582 -1.207 0.493 1.00 0.00 H +ATOM 2292 HG22 THR A 152 0.200 -2.545 -0.618 1.00 0.00 H +ATOM 2293 HG23 THR A 152 0.773 -2.893 1.031 1.00 0.00 H +ATOM 2294 N MET A 153 1.694 -0.660 2.269 1.00 0.00 N +ATOM 2295 CA MET A 153 0.907 0.247 3.086 1.00 0.00 C +ATOM 2296 C MET A 153 1.809 1.123 3.957 1.00 0.00 C +ATOM 2297 O MET A 153 1.422 2.223 4.348 1.00 0.00 O +ATOM 2298 CB MET A 153 -0.039 -0.559 3.979 1.00 0.00 C +ATOM 2299 CG MET A 153 0.735 -1.579 4.817 1.00 0.00 C +ATOM 2300 SD MET A 153 -0.400 -2.565 5.779 1.00 0.00 S +ATOM 2301 CE MET A 153 0.679 -3.070 7.108 1.00 0.00 C +ATOM 2302 H MET A 153 1.625 -1.625 2.523 1.00 0.00 H +ATOM 2303 HA MET A 153 0.354 0.870 2.382 1.00 0.00 H +ATOM 2304 HB2 MET A 153 -0.588 0.116 4.636 1.00 0.00 H +ATOM 2305 HB3 MET A 153 -0.776 -1.074 3.363 1.00 0.00 H +ATOM 2306 HG2 MET A 153 1.327 -2.222 4.166 1.00 0.00 H +ATOM 2307 HG3 MET A 153 1.433 -1.064 5.477 1.00 0.00 H +ATOM 2308 HE1 MET A 153 1.628 -2.539 7.029 1.00 0.00 H +ATOM 2309 HE2 MET A 153 0.212 -2.837 8.065 1.00 0.00 H +ATOM 2310 HE3 MET A 153 0.858 -4.144 7.044 1.00 0.00 H +ATOM 2311 N LEU A 154 2.995 0.603 4.235 1.00 0.00 N +ATOM 2312 CA LEU A 154 3.956 1.324 5.053 1.00 0.00 C +ATOM 2313 C LEU A 154 4.252 2.680 4.409 1.00 0.00 C +ATOM 2314 O LEU A 154 4.163 3.716 5.065 1.00 0.00 O +ATOM 2315 CB LEU A 154 5.203 0.471 5.292 1.00 0.00 C +ATOM 2316 CG LEU A 154 6.537 1.221 5.303 1.00 0.00 C +ATOM 2317 CD1 LEU A 154 7.130 1.305 3.895 1.00 0.00 C +ATOM 2318 CD2 LEU A 154 6.383 2.602 5.944 1.00 0.00 C +ATOM 2319 H LEU A 154 3.302 -0.293 3.913 1.00 0.00 H +ATOM 2320 HA LEU A 154 3.493 1.497 6.025 1.00 0.00 H +ATOM 2321 HB2 LEU A 154 5.090 -0.043 6.246 1.00 0.00 H +ATOM 2322 HB3 LEU A 154 5.247 -0.297 4.520 1.00 0.00 H +ATOM 2323 HG LEU A 154 7.240 0.658 5.916 1.00 0.00 H +ATOM 2324 HD11 LEU A 154 7.118 0.317 3.436 1.00 0.00 H +ATOM 2325 HD12 LEU A 154 6.538 1.994 3.292 1.00 0.00 H +ATOM 2326 HD13 LEU A 154 8.157 1.666 3.955 1.00 0.00 H +ATOM 2327 HD21 LEU A 154 5.428 2.656 6.467 1.00 0.00 H +ATOM 2328 HD22 LEU A 154 7.195 2.766 6.652 1.00 0.00 H +ATOM 2329 HD23 LEU A 154 6.417 3.368 5.169 1.00 0.00 H +ATOM 2330 N LEU A 155 4.597 2.628 3.130 1.00 0.00 N +ATOM 2331 CA LEU A 155 4.907 3.839 2.390 1.00 0.00 C +ATOM 2332 C LEU A 155 3.765 4.843 2.562 1.00 0.00 C +ATOM 2333 O LEU A 155 3.982 5.963 3.023 1.00 0.00 O +ATOM 2334 CB LEU A 155 5.220 3.509 0.929 1.00 0.00 C +ATOM 2335 CG LEU A 155 5.941 2.182 0.682 1.00 0.00 C +ATOM 2336 CD1 LEU A 155 7.383 2.239 1.189 1.00 0.00 C +ATOM 2337 CD2 LEU A 155 5.164 1.014 1.291 1.00 0.00 C +ATOM 2338 H LEU A 155 4.667 1.781 2.604 1.00 0.00 H +ATOM 2339 HA LEU A 155 5.811 4.266 2.825 1.00 0.00 H +ATOM 2340 HB2 LEU A 155 4.284 3.501 0.370 1.00 0.00 H +ATOM 2341 HB3 LEU A 155 5.830 4.313 0.518 1.00 0.00 H +ATOM 2342 HG LEU A 155 5.985 2.013 -0.394 1.00 0.00 H +ATOM 2343 HD11 LEU A 155 7.427 2.849 2.092 1.00 0.00 H +ATOM 2344 HD12 LEU A 155 7.729 1.230 1.416 1.00 0.00 H +ATOM 2345 HD13 LEU A 155 8.022 2.678 0.423 1.00 0.00 H +ATOM 2346 HD21 LEU A 155 4.139 1.325 1.492 1.00 0.00 H +ATOM 2347 HD22 LEU A 155 5.160 0.177 0.593 1.00 0.00 H +ATOM 2348 HD23 LEU A 155 5.640 0.708 2.223 1.00 0.00 H +ATOM 2349 N ALA A 156 2.573 4.406 2.182 1.00 0.00 N +ATOM 2350 CA ALA A 156 1.397 5.252 2.289 1.00 0.00 C +ATOM 2351 C ALA A 156 1.247 5.730 3.734 1.00 0.00 C +ATOM 2352 O ALA A 156 1.150 6.930 3.988 1.00 0.00 O +ATOM 2353 CB ALA A 156 0.168 4.483 1.799 1.00 0.00 C +ATOM 2354 H ALA A 156 2.405 3.494 1.809 1.00 0.00 H +ATOM 2355 HA ALA A 156 1.550 6.117 1.643 1.00 0.00 H +ATOM 2356 HB1 ALA A 156 0.399 3.419 1.757 1.00 0.00 H +ATOM 2357 HB2 ALA A 156 -0.661 4.648 2.486 1.00 0.00 H +ATOM 2358 HB3 ALA A 156 -0.108 4.834 0.804 1.00 0.00 H +ATOM 2359 N LYS A 157 1.233 4.767 4.644 1.00 0.00 N +ATOM 2360 CA LYS A 157 1.096 5.075 6.058 1.00 0.00 C +ATOM 2361 C LYS A 157 1.986 6.271 6.403 1.00 0.00 C +ATOM 2362 O LYS A 157 1.512 7.263 6.954 1.00 0.00 O +ATOM 2363 CB LYS A 157 1.379 3.833 6.906 1.00 0.00 C +ATOM 2364 CG LYS A 157 0.210 3.534 7.846 1.00 0.00 C +ATOM 2365 CD LYS A 157 0.103 4.596 8.943 1.00 0.00 C +ATOM 2366 CE LYS A 157 -1.234 5.335 8.862 1.00 0.00 C +ATOM 2367 NZ LYS A 157 -1.623 5.851 10.194 1.00 0.00 N +ATOM 2368 H LYS A 157 1.312 3.794 4.429 1.00 0.00 H +ATOM 2369 HA LYS A 157 0.058 5.355 6.232 1.00 0.00 H +ATOM 2370 HB2 LYS A 157 1.555 2.976 6.256 1.00 0.00 H +ATOM 2371 HB3 LYS A 157 2.288 3.985 7.487 1.00 0.00 H +ATOM 2372 HG2 LYS A 157 -0.720 3.499 7.278 1.00 0.00 H +ATOM 2373 HG3 LYS A 157 0.344 2.552 8.299 1.00 0.00 H +ATOM 2374 HD2 LYS A 157 0.203 4.125 9.921 1.00 0.00 H +ATOM 2375 HD3 LYS A 157 0.922 5.308 8.846 1.00 0.00 H +ATOM 2376 HE2 LYS A 157 -1.158 6.161 8.154 1.00 0.00 H +ATOM 2377 HE3 LYS A 157 -2.006 4.663 8.486 1.00 0.00 H +ATOM 2378 HZ1 LYS A 157 -2.237 5.210 10.685 1.00 0.00 H +ATOM 2379 HZ2 LYS A 157 -0.819 6.003 10.792 1.00 0.00 H +ATOM 2380 N LYS A 158 3.260 6.137 6.064 1.00 0.00 N +ATOM 2381 CA LYS A 158 4.220 7.195 6.332 1.00 0.00 C +ATOM 2382 C LYS A 158 4.069 8.293 5.278 1.00 0.00 C +ATOM 2383 O LYS A 158 3.838 9.454 5.614 1.00 0.00 O +ATOM 2384 CB LYS A 158 5.636 6.622 6.425 1.00 0.00 C +ATOM 2385 CG LYS A 158 5.906 6.051 7.819 1.00 0.00 C +ATOM 2386 CD LYS A 158 5.233 4.688 7.993 1.00 0.00 C +ATOM 2387 CE LYS A 158 4.510 4.602 9.339 1.00 0.00 C +ATOM 2388 NZ LYS A 158 4.910 3.375 10.064 1.00 0.00 N +ATOM 2389 H LYS A 158 3.637 5.327 5.616 1.00 0.00 H +ATOM 2390 HA LYS A 158 3.978 7.616 7.307 1.00 0.00 H +ATOM 2391 HB2 LYS A 158 5.766 5.840 5.676 1.00 0.00 H +ATOM 2392 HB3 LYS A 158 6.363 7.402 6.200 1.00 0.00 H +ATOM 2393 HG2 LYS A 158 6.980 5.953 7.973 1.00 0.00 H +ATOM 2394 HG3 LYS A 158 5.537 6.743 8.576 1.00 0.00 H +ATOM 2395 HD2 LYS A 158 4.522 4.524 7.183 1.00 0.00 H +ATOM 2396 HD3 LYS A 158 5.981 3.898 7.926 1.00 0.00 H +ATOM 2397 HE2 LYS A 158 4.744 5.480 9.941 1.00 0.00 H +ATOM 2398 HE3 LYS A 158 3.432 4.602 9.180 1.00 0.00 H +ATOM 2399 HZ1 LYS A 158 5.274 3.581 10.987 1.00 0.00 H +ATOM 2400 HZ2 LYS A 158 4.131 2.738 10.190 1.00 0.00 H +ATOM 2401 N VAL A 159 4.206 7.888 4.024 1.00 0.00 N +ATOM 2402 CA VAL A 159 4.087 8.824 2.918 1.00 0.00 C +ATOM 2403 C VAL A 159 2.807 9.645 3.085 1.00 0.00 C +ATOM 2404 O VAL A 159 2.856 10.872 3.146 1.00 0.00 O +ATOM 2405 CB VAL A 159 4.145 8.071 1.587 1.00 0.00 C +ATOM 2406 CG1 VAL A 159 4.084 9.041 0.406 1.00 0.00 C +ATOM 2407 CG2 VAL A 159 5.394 7.191 1.509 1.00 0.00 C +ATOM 2408 H VAL A 159 4.393 6.942 3.759 1.00 0.00 H +ATOM 2409 HA VAL A 159 4.944 9.496 2.963 1.00 0.00 H +ATOM 2410 HB VAL A 159 3.273 7.420 1.532 1.00 0.00 H +ATOM 2411 HG11 VAL A 159 3.762 10.022 0.757 1.00 0.00 H +ATOM 2412 HG12 VAL A 159 5.071 9.124 -0.048 1.00 0.00 H +ATOM 2413 HG13 VAL A 159 3.374 8.669 -0.333 1.00 0.00 H +ATOM 2414 HG21 VAL A 159 5.835 7.097 2.502 1.00 0.00 H +ATOM 2415 HG22 VAL A 159 5.120 6.203 1.138 1.00 0.00 H +ATOM 2416 HG23 VAL A 159 6.118 7.646 0.832 1.00 0.00 H +ATOM 2417 N ALA A 160 1.691 8.934 3.155 1.00 0.00 N +ATOM 2418 CA ALA A 160 0.400 9.581 3.314 1.00 0.00 C +ATOM 2419 C ALA A 160 0.571 10.852 4.149 1.00 0.00 C +ATOM 2420 O ALA A 160 -0.043 11.877 3.858 1.00 0.00 O +ATOM 2421 CB ALA A 160 -0.590 8.599 3.942 1.00 0.00 C +ATOM 2422 H ALA A 160 1.660 7.936 3.105 1.00 0.00 H +ATOM 2423 HA ALA A 160 0.041 9.854 2.321 1.00 0.00 H +ATOM 2424 HB1 ALA A 160 -0.214 8.275 4.913 1.00 0.00 H +ATOM 2425 HB2 ALA A 160 -1.555 9.089 4.072 1.00 0.00 H +ATOM 2426 HB3 ALA A 160 -0.707 7.733 3.290 1.00 0.00 H +ATOM 2427 N SER A 161 1.408 10.742 5.170 1.00 0.00 N +ATOM 2428 CA SER A 161 1.667 11.869 6.050 1.00 0.00 C +ATOM 2429 C SER A 161 3.136 12.286 5.947 1.00 0.00 C +ATOM 2430 O SER A 161 3.518 13.349 6.433 1.00 0.00 O +ATOM 2431 CB SER A 161 1.311 11.530 7.499 1.00 0.00 C +ATOM 2432 OG SER A 161 0.213 12.304 7.974 1.00 0.00 O +ATOM 2433 H SER A 161 1.903 9.904 5.400 1.00 0.00 H +ATOM 2434 HA SER A 161 1.017 12.668 5.694 1.00 0.00 H +ATOM 2435 HB2 SER A 161 1.068 10.471 7.574 1.00 0.00 H +ATOM 2436 HB3 SER A 161 2.179 11.704 8.135 1.00 0.00 H +ATOM 2437 HG SER A 161 0.173 13.177 7.487 1.00 0.00 H +ATOM 2438 N HIS A 162 3.919 11.426 5.312 1.00 0.00 N +ATOM 2439 CA HIS A 162 5.337 11.692 5.140 1.00 0.00 C +ATOM 2440 C HIS A 162 5.571 12.370 3.788 1.00 0.00 C +ATOM 2441 O HIS A 162 6.251 13.392 3.712 1.00 0.00 O +ATOM 2442 CB HIS A 162 6.154 10.410 5.309 1.00 0.00 C +ATOM 2443 CG HIS A 162 7.647 10.618 5.222 1.00 0.00 C +ATOM 2444 ND1 HIS A 162 8.470 10.622 6.336 1.00 0.00 N +ATOM 2445 CD2 HIS A 162 8.457 10.827 4.145 1.00 0.00 C +ATOM 2446 CE1 HIS A 162 9.716 10.827 5.934 1.00 0.00 C +ATOM 2447 NE2 HIS A 162 9.706 10.954 4.576 1.00 0.00 N +ATOM 2448 H HIS A 162 3.600 10.564 4.920 1.00 0.00 H +ATOM 2449 HA HIS A 162 5.625 12.378 5.936 1.00 0.00 H +ATOM 2450 HB2 HIS A 162 5.915 9.964 6.275 1.00 0.00 H +ATOM 2451 HB3 HIS A 162 5.852 9.695 4.545 1.00 0.00 H +ATOM 2452 HD1 HIS A 162 8.174 10.493 7.282 1.00 0.00 H +ATOM 2453 HD2 HIS A 162 8.133 10.881 3.105 1.00 0.00 H +ATOM 2454 HE1 HIS A 162 10.595 10.883 6.576 1.00 0.00 H +ATOM 2455 N ALA A 163 4.995 11.773 2.755 1.00 0.00 N +ATOM 2456 CA ALA A 163 5.133 12.307 1.411 1.00 0.00 C +ATOM 2457 C ALA A 163 3.756 12.723 0.888 1.00 0.00 C +ATOM 2458 O ALA A 163 3.120 11.980 0.143 1.00 0.00 O +ATOM 2459 CB ALA A 163 5.806 11.265 0.514 1.00 0.00 C +ATOM 2460 H ALA A 163 4.444 10.942 2.826 1.00 0.00 H +ATOM 2461 HA ALA A 163 5.773 13.187 1.467 1.00 0.00 H +ATOM 2462 HB1 ALA A 163 5.977 10.352 1.084 1.00 0.00 H +ATOM 2463 HB2 ALA A 163 5.160 11.047 -0.336 1.00 0.00 H +ATOM 2464 HB3 ALA A 163 6.759 11.655 0.157 1.00 0.00 H +ATOM 2465 N PRO A 164 3.326 13.942 1.311 1.00 0.00 N +ATOM 2466 CA PRO A 164 2.037 14.467 0.894 1.00 0.00 C +ATOM 2467 C PRO A 164 2.084 14.948 -0.558 1.00 0.00 C +ATOM 2468 O PRO A 164 1.068 15.368 -1.110 1.00 0.00 O +ATOM 2469 CB PRO A 164 1.728 15.582 1.879 1.00 0.00 C +ATOM 2470 CG PRO A 164 3.056 15.949 2.522 1.00 0.00 C +ATOM 2471 CD PRO A 164 4.053 14.850 2.193 1.00 0.00 C +ATOM 2472 HA PRO A 164 1.344 13.746 0.920 1.00 0.00 H +ATOM 2473 HB2 PRO A 164 1.288 16.441 1.372 1.00 0.00 H +ATOM 2474 HB3 PRO A 164 1.009 15.252 2.629 1.00 0.00 H +ATOM 2475 HG2 PRO A 164 3.409 16.910 2.147 1.00 0.00 H +ATOM 2476 HG3 PRO A 164 2.942 16.052 3.601 1.00 0.00 H +ATOM 2477 HD2 PRO A 164 4.939 15.253 1.704 1.00 0.00 H +ATOM 2478 HD3 PRO A 164 4.391 14.340 3.095 1.00 0.00 H +ATOM 2479 N SER A 165 3.274 14.871 -1.135 1.00 0.00 N +ATOM 2480 CA SER A 165 3.467 15.294 -2.512 1.00 0.00 C +ATOM 2481 C SER A 165 3.408 14.082 -3.444 1.00 0.00 C +ATOM 2482 O SER A 165 3.323 14.235 -4.662 1.00 0.00 O +ATOM 2483 CB SER A 165 4.799 16.029 -2.681 1.00 0.00 C +ATOM 2484 OG SER A 165 4.638 17.444 -2.627 1.00 0.00 O +ATOM 2485 H SER A 165 4.096 14.528 -0.679 1.00 0.00 H +ATOM 2486 HA SER A 165 2.646 15.978 -2.721 1.00 0.00 H +ATOM 2487 HB2 SER A 165 5.489 15.713 -1.899 1.00 0.00 H +ATOM 2488 HB3 SER A 165 5.248 15.751 -3.634 1.00 0.00 H +ATOM 2489 HG SER A 165 5.346 17.847 -2.048 1.00 0.00 H +ATOM 2490 N LEU A 166 3.456 12.905 -2.837 1.00 0.00 N +ATOM 2491 CA LEU A 166 3.409 11.668 -3.598 1.00 0.00 C +ATOM 2492 C LEU A 166 2.088 10.950 -3.313 1.00 0.00 C +ATOM 2493 O LEU A 166 2.060 9.728 -3.172 1.00 0.00 O +ATOM 2494 CB LEU A 166 4.647 10.816 -3.312 1.00 0.00 C +ATOM 2495 CG LEU A 166 5.842 11.037 -4.241 1.00 0.00 C +ATOM 2496 CD1 LEU A 166 7.098 10.358 -3.690 1.00 0.00 C +ATOM 2497 CD2 LEU A 166 5.522 10.580 -5.666 1.00 0.00 C +ATOM 2498 H LEU A 166 3.526 12.790 -1.846 1.00 0.00 H +ATOM 2499 HA LEU A 166 3.437 11.934 -4.655 1.00 0.00 H +ATOM 2500 HB2 LEU A 166 4.967 11.008 -2.288 1.00 0.00 H +ATOM 2501 HB3 LEU A 166 4.360 9.766 -3.365 1.00 0.00 H +ATOM 2502 HG LEU A 166 6.048 12.107 -4.285 1.00 0.00 H +ATOM 2503 HD11 LEU A 166 6.828 9.732 -2.840 1.00 0.00 H +ATOM 2504 HD12 LEU A 166 7.548 9.742 -4.468 1.00 0.00 H +ATOM 2505 HD13 LEU A 166 7.811 11.118 -3.370 1.00 0.00 H +ATOM 2506 HD21 LEU A 166 4.458 10.715 -5.860 1.00 0.00 H +ATOM 2507 HD22 LEU A 166 6.099 11.172 -6.376 1.00 0.00 H +ATOM 2508 HD23 LEU A 166 5.780 9.527 -5.776 1.00 0.00 H +ATOM 2509 N LEU A 167 1.026 11.738 -3.238 1.00 0.00 N +ATOM 2510 CA LEU A 167 -0.294 11.193 -2.973 1.00 0.00 C +ATOM 2511 C LEU A 167 -0.573 10.048 -3.949 1.00 0.00 C +ATOM 2512 O LEU A 167 -0.789 8.911 -3.532 1.00 0.00 O +ATOM 2513 CB LEU A 167 -1.348 12.301 -3.006 1.00 0.00 C +ATOM 2514 CG LEU A 167 -1.529 13.014 -4.348 1.00 0.00 C +ATOM 2515 CD1 LEU A 167 -0.181 13.240 -5.034 1.00 0.00 C +ATOM 2516 CD2 LEU A 167 -2.509 12.256 -5.244 1.00 0.00 C +ATOM 2517 H LEU A 167 1.058 12.731 -3.354 1.00 0.00 H +ATOM 2518 HA LEU A 167 -0.283 10.789 -1.960 1.00 0.00 H +ATOM 2519 HB2 LEU A 167 -2.307 11.872 -2.713 1.00 0.00 H +ATOM 2520 HB3 LEU A 167 -1.089 13.045 -2.253 1.00 0.00 H +ATOM 2521 HG LEU A 167 -1.962 13.997 -4.157 1.00 0.00 H +ATOM 2522 HD11 LEU A 167 0.403 12.320 -5.001 1.00 0.00 H +ATOM 2523 HD12 LEU A 167 -0.346 13.528 -6.073 1.00 0.00 H +ATOM 2524 HD13 LEU A 167 0.361 14.033 -4.519 1.00 0.00 H +ATOM 2525 HD21 LEU A 167 -2.375 11.183 -5.103 1.00 0.00 H +ATOM 2526 HD22 LEU A 167 -3.530 12.532 -4.982 1.00 0.00 H +ATOM 2527 HD23 LEU A 167 -2.320 12.512 -6.287 1.00 0.00 H +ATOM 2528 N ARG A 168 -0.561 10.388 -5.229 1.00 0.00 N +ATOM 2529 CA ARG A 168 -0.810 9.403 -6.268 1.00 0.00 C +ATOM 2530 C ARG A 168 0.136 8.212 -6.107 1.00 0.00 C +ATOM 2531 O ARG A 168 -0.291 7.061 -6.188 1.00 0.00 O +ATOM 2532 CB ARG A 168 -0.623 10.011 -7.659 1.00 0.00 C +ATOM 2533 CG ARG A 168 0.851 9.994 -8.071 1.00 0.00 C +ATOM 2534 CD ARG A 168 1.028 10.524 -9.495 1.00 0.00 C +ATOM 2535 NE ARG A 168 2.350 10.119 -10.025 1.00 0.00 N +ATOM 2536 CZ ARG A 168 2.775 10.381 -11.279 1.00 0.00 C +ATOM 2537 NH1 ARG A 168 1.984 11.050 -12.145 1.00 0.00 N +ATOM 2538 NH2 ARG A 168 3.975 9.972 -11.646 1.00 0.00 N +ATOM 2539 H ARG A 168 -0.385 11.316 -5.560 1.00 0.00 H +ATOM 2540 HA ARG A 168 -1.848 9.103 -6.123 1.00 0.00 H +ATOM 2541 HB2 ARG A 168 -1.213 9.453 -8.386 1.00 0.00 H +ATOM 2542 HB3 ARG A 168 -0.994 11.036 -7.666 1.00 0.00 H +ATOM 2543 HG2 ARG A 168 1.433 10.601 -7.378 1.00 0.00 H +ATOM 2544 HG3 ARG A 168 1.238 8.977 -8.007 1.00 0.00 H +ATOM 2545 HD2 ARG A 168 0.237 10.138 -10.137 1.00 0.00 H +ATOM 2546 HD3 ARG A 168 0.942 11.610 -9.501 1.00 0.00 H +ATOM 2547 HE ARG A 168 2.967 9.621 -9.415 1.00 0.00 H +ATOM 2548 HH22 ARG A 168 4.364 10.125 -12.555 1.00 0.00 H +ATOM 2549 N ASP A 169 1.403 8.528 -5.883 1.00 0.00 N +ATOM 2550 CA ASP A 169 2.412 7.498 -5.710 1.00 0.00 C +ATOM 2551 C ASP A 169 2.102 6.693 -4.447 1.00 0.00 C +ATOM 2552 O ASP A 169 2.293 5.478 -4.419 1.00 0.00 O +ATOM 2553 CB ASP A 169 3.804 8.112 -5.550 1.00 0.00 C +ATOM 2554 CG ASP A 169 4.789 7.277 -4.729 1.00 0.00 C +ATOM 2555 OD1 ASP A 169 5.027 6.099 -5.197 1.00 0.00 O +ATOM 2556 OD2 ASP A 169 5.303 7.729 -3.695 1.00 0.00 O +ATOM 2557 H ASP A 169 1.741 9.467 -5.819 1.00 0.00 H +ATOM 2558 HA ASP A 169 2.360 6.892 -6.615 1.00 0.00 H +ATOM 2559 HB2 ASP A 169 4.229 8.278 -6.540 1.00 0.00 H +ATOM 2560 HB3 ASP A 169 3.701 9.091 -5.080 1.00 0.00 H +ATOM 2561 N VAL A 170 1.629 7.402 -3.433 1.00 0.00 N +ATOM 2562 CA VAL A 170 1.291 6.768 -2.170 1.00 0.00 C +ATOM 2563 C VAL A 170 0.430 5.533 -2.439 1.00 0.00 C +ATOM 2564 O VAL A 170 0.769 4.430 -2.012 1.00 0.00 O +ATOM 2565 CB VAL A 170 0.613 7.779 -1.242 1.00 0.00 C +ATOM 2566 CG1 VAL A 170 -0.878 7.471 -1.092 1.00 0.00 C +ATOM 2567 CG2 VAL A 170 1.304 7.821 0.122 1.00 0.00 C +ATOM 2568 H VAL A 170 1.477 8.390 -3.464 1.00 0.00 H +ATOM 2569 HA VAL A 170 2.222 6.452 -1.701 1.00 0.00 H +ATOM 2570 HB VAL A 170 0.708 8.766 -1.696 1.00 0.00 H +ATOM 2571 HG11 VAL A 170 -1.006 6.434 -0.783 1.00 0.00 H +ATOM 2572 HG12 VAL A 170 -1.311 8.131 -0.340 1.00 0.00 H +ATOM 2573 HG13 VAL A 170 -1.380 7.630 -2.047 1.00 0.00 H +ATOM 2574 HG21 VAL A 170 2.165 7.151 0.114 1.00 0.00 H +ATOM 2575 HG22 VAL A 170 1.638 8.837 0.330 1.00 0.00 H +ATOM 2576 HG23 VAL A 170 0.604 7.503 0.894 1.00 0.00 H +ATOM 2577 N PHE A 171 -0.669 5.758 -3.145 1.00 0.00 N +ATOM 2578 CA PHE A 171 -1.581 4.677 -3.476 1.00 0.00 C +ATOM 2579 C PHE A 171 -0.879 3.604 -4.310 1.00 0.00 C +ATOM 2580 O PHE A 171 -0.988 2.414 -4.017 1.00 0.00 O +ATOM 2581 CB PHE A 171 -2.716 5.286 -4.300 1.00 0.00 C +ATOM 2582 CG PHE A 171 -4.051 5.370 -3.556 1.00 0.00 C +ATOM 2583 CD1 PHE A 171 -4.067 5.498 -2.202 1.00 0.00 C +ATOM 2584 CD2 PHE A 171 -5.220 5.317 -4.248 1.00 0.00 C +ATOM 2585 CE1 PHE A 171 -5.305 5.576 -1.511 1.00 0.00 C +ATOM 2586 CE2 PHE A 171 -6.458 5.395 -3.557 1.00 0.00 C +ATOM 2587 CZ PHE A 171 -6.475 5.523 -2.203 1.00 0.00 C +ATOM 2588 H PHE A 171 -0.938 6.658 -3.488 1.00 0.00 H +ATOM 2589 HA PHE A 171 -1.919 4.240 -2.536 1.00 0.00 H +ATOM 2590 HB2 PHE A 171 -2.425 6.288 -4.617 1.00 0.00 H +ATOM 2591 HB3 PHE A 171 -2.854 4.694 -5.205 1.00 0.00 H +ATOM 2592 HD1 PHE A 171 -3.130 5.541 -1.647 1.00 0.00 H +ATOM 2593 HD2 PHE A 171 -5.207 5.215 -5.333 1.00 0.00 H +ATOM 2594 HE1 PHE A 171 -5.318 5.679 -0.426 1.00 0.00 H +ATOM 2595 HE2 PHE A 171 -7.395 5.353 -4.112 1.00 0.00 H +ATOM 2596 HZ PHE A 171 -7.425 5.583 -1.673 1.00 0.00 H +ATOM 2597 N HIS A 172 -0.176 4.063 -5.335 1.00 0.00 N +ATOM 2598 CA HIS A 172 0.544 3.157 -6.214 1.00 0.00 C +ATOM 2599 C HIS A 172 1.448 2.245 -5.383 1.00 0.00 C +ATOM 2600 O HIS A 172 1.623 1.072 -5.710 1.00 0.00 O +ATOM 2601 CB HIS A 172 1.309 3.934 -7.287 1.00 0.00 C +ATOM 2602 CG HIS A 172 1.983 3.059 -8.317 1.00 0.00 C +ATOM 2603 ND1 HIS A 172 2.850 3.558 -9.273 1.00 0.00 N +ATOM 2604 CD2 HIS A 172 1.908 1.713 -8.529 1.00 0.00 C +ATOM 2605 CE1 HIS A 172 3.271 2.549 -10.022 1.00 0.00 C +ATOM 2606 NE2 HIS A 172 2.685 1.407 -9.560 1.00 0.00 N +ATOM 2607 H HIS A 172 -0.093 5.032 -5.567 1.00 0.00 H +ATOM 2608 HA HIS A 172 -0.207 2.548 -6.718 1.00 0.00 H +ATOM 2609 HB2 HIS A 172 0.620 4.609 -7.793 1.00 0.00 H +ATOM 2610 HB3 HIS A 172 2.064 4.554 -6.802 1.00 0.00 H +ATOM 2611 HD1 HIS A 172 3.114 4.516 -9.380 1.00 0.00 H +ATOM 2612 HD2 HIS A 172 1.310 1.009 -7.950 1.00 0.00 H +ATOM 2613 HE1 HIS A 172 3.964 2.620 -10.861 1.00 0.00 H +ATOM 2614 N THR A 173 2.000 2.819 -4.324 1.00 0.00 N +ATOM 2615 CA THR A 173 2.883 2.073 -3.443 1.00 0.00 C +ATOM 2616 C THR A 173 2.155 0.859 -2.863 1.00 0.00 C +ATOM 2617 O THR A 173 2.684 -0.252 -2.876 1.00 0.00 O +ATOM 2618 CB THR A 173 3.408 3.034 -2.375 1.00 0.00 C +ATOM 2619 OG1 THR A 173 4.089 4.041 -3.119 1.00 0.00 O +ATOM 2620 CG2 THR A 173 4.502 2.406 -1.510 1.00 0.00 C +ATOM 2621 H THR A 173 1.853 3.774 -4.065 1.00 0.00 H +ATOM 2622 HA THR A 173 3.717 1.694 -4.034 1.00 0.00 H +ATOM 2623 HB THR A 173 2.593 3.414 -1.759 1.00 0.00 H +ATOM 2624 HG1 THR A 173 4.754 3.620 -3.735 1.00 0.00 H +ATOM 2625 HG21 THR A 173 4.962 1.578 -2.049 1.00 0.00 H +ATOM 2626 HG22 THR A 173 5.260 3.156 -1.281 1.00 0.00 H +ATOM 2627 HG23 THR A 173 4.065 2.037 -0.582 1.00 0.00 H +ATOM 2628 N THR A 174 0.953 1.111 -2.367 1.00 0.00 N +ATOM 2629 CA THR A 174 0.147 0.052 -1.783 1.00 0.00 C +ATOM 2630 C THR A 174 -0.169 -1.017 -2.830 1.00 0.00 C +ATOM 2631 O THR A 174 0.248 -2.167 -2.694 1.00 0.00 O +ATOM 2632 CB THR A 174 -1.102 0.691 -1.171 1.00 0.00 C +ATOM 2633 OG1 THR A 174 -1.919 1.003 -2.297 1.00 0.00 O +ATOM 2634 CG2 THR A 174 -0.811 2.051 -0.533 1.00 0.00 C +ATOM 2635 H THR A 174 0.529 2.017 -2.360 1.00 0.00 H +ATOM 2636 HA THR A 174 0.730 -0.431 -0.999 1.00 0.00 H +ATOM 2637 HB THR A 174 -1.573 0.017 -0.455 1.00 0.00 H +ATOM 2638 HG1 THR A 174 -2.707 1.545 -2.007 1.00 0.00 H +ATOM 2639 HG21 THR A 174 0.237 2.097 -0.237 1.00 0.00 H +ATOM 2640 HG22 THR A 174 -1.021 2.842 -1.253 1.00 0.00 H +ATOM 2641 HG23 THR A 174 -1.443 2.182 0.345 1.00 0.00 H +ATOM 2642 N VAL A 175 -0.903 -0.602 -3.852 1.00 0.00 N +ATOM 2643 CA VAL A 175 -1.279 -1.510 -4.922 1.00 0.00 C +ATOM 2644 C VAL A 175 -0.040 -1.860 -5.747 1.00 0.00 C +ATOM 2645 O VAL A 175 -0.147 -2.493 -6.796 1.00 0.00 O +ATOM 2646 CB VAL A 175 -2.401 -0.894 -5.760 1.00 0.00 C +ATOM 2647 CG1 VAL A 175 -2.338 -1.387 -7.207 1.00 0.00 C +ATOM 2648 CG2 VAL A 175 -3.770 -1.183 -5.142 1.00 0.00 C +ATOM 2649 H VAL A 175 -1.239 0.335 -3.955 1.00 0.00 H +ATOM 2650 HA VAL A 175 -1.663 -2.420 -4.461 1.00 0.00 H +ATOM 2651 HB VAL A 175 -2.259 0.187 -5.769 1.00 0.00 H +ATOM 2652 HG11 VAL A 175 -2.199 -2.469 -7.216 1.00 0.00 H +ATOM 2653 HG12 VAL A 175 -3.268 -1.136 -7.718 1.00 0.00 H +ATOM 2654 HG13 VAL A 175 -1.502 -0.909 -7.718 1.00 0.00 H +ATOM 2655 HG21 VAL A 175 -3.860 -2.250 -4.939 1.00 0.00 H +ATOM 2656 HG22 VAL A 175 -3.873 -0.626 -4.210 1.00 0.00 H +ATOM 2657 HG23 VAL A 175 -4.554 -0.878 -5.835 1.00 0.00 H +ATOM 2658 N ASN A 176 1.108 -1.434 -5.241 1.00 0.00 N +ATOM 2659 CA ASN A 176 2.367 -1.695 -5.918 1.00 0.00 C +ATOM 2660 C ASN A 176 2.784 -3.146 -5.670 1.00 0.00 C +ATOM 2661 O ASN A 176 2.943 -3.920 -6.612 1.00 0.00 O +ATOM 2662 CB ASN A 176 3.478 -0.787 -5.386 1.00 0.00 C +ATOM 2663 CG ASN A 176 4.541 -1.598 -4.643 1.00 0.00 C +ATOM 2664 OD1 ASN A 176 5.442 -2.174 -5.229 1.00 0.00 O +ATOM 2665 ND2 ASN A 176 4.385 -1.612 -3.322 1.00 0.00 N +ATOM 2666 H ASN A 176 1.187 -0.920 -4.387 1.00 0.00 H +ATOM 2667 HA ASN A 176 2.174 -1.491 -6.971 1.00 0.00 H +ATOM 2668 HB2 ASN A 176 3.939 -0.248 -6.214 1.00 0.00 H +ATOM 2669 HB3 ASN A 176 3.051 -0.039 -4.717 1.00 0.00 H +ATOM 2670 HD21 ASN A 176 3.623 -1.118 -2.903 1.00 0.00 H +ATOM 2671 HD22 ASN A 176 5.030 -2.116 -2.748 1.00 0.00 H +ATOM 2672 N PHE A 177 2.948 -3.471 -4.396 1.00 0.00 N +ATOM 2673 CA PHE A 177 3.343 -4.816 -4.011 1.00 0.00 C +ATOM 2674 C PHE A 177 2.300 -5.842 -4.458 1.00 0.00 C +ATOM 2675 O PHE A 177 2.633 -6.822 -5.123 1.00 0.00 O +ATOM 2676 CB PHE A 177 3.438 -4.835 -2.484 1.00 0.00 C +ATOM 2677 CG PHE A 177 4.837 -4.535 -1.944 1.00 0.00 C +ATOM 2678 CD1 PHE A 177 5.740 -3.880 -2.722 1.00 0.00 C +ATOM 2679 CD2 PHE A 177 5.179 -4.924 -0.686 1.00 0.00 C +ATOM 2680 CE1 PHE A 177 7.040 -3.602 -2.221 1.00 0.00 C +ATOM 2681 CE2 PHE A 177 6.478 -4.645 -0.185 1.00 0.00 C +ATOM 2682 CZ PHE A 177 7.381 -3.990 -0.963 1.00 0.00 C +ATOM 2683 H PHE A 177 2.816 -2.836 -3.635 1.00 0.00 H +ATOM 2684 HA PHE A 177 4.292 -5.027 -4.503 1.00 0.00 H +ATOM 2685 HB2 PHE A 177 2.738 -4.104 -2.078 1.00 0.00 H +ATOM 2686 HB3 PHE A 177 3.122 -5.813 -2.123 1.00 0.00 H +ATOM 2687 HD1 PHE A 177 5.467 -3.568 -3.730 1.00 0.00 H +ATOM 2688 HD2 PHE A 177 4.455 -5.449 -0.063 1.00 0.00 H +ATOM 2689 HE1 PHE A 177 7.763 -3.077 -2.844 1.00 0.00 H +ATOM 2690 HE2 PHE A 177 6.751 -4.957 0.823 1.00 0.00 H +ATOM 2691 HZ PHE A 177 8.378 -3.777 -0.578 1.00 0.00 H +ATOM 2692 N ILE A 178 1.058 -5.583 -4.075 1.00 0.00 N +ATOM 2693 CA ILE A 178 -0.035 -6.472 -4.428 1.00 0.00 C +ATOM 2694 C ILE A 178 -0.086 -6.632 -5.948 1.00 0.00 C +ATOM 2695 O ILE A 178 -0.266 -7.739 -6.454 1.00 0.00 O +ATOM 2696 CB ILE A 178 -1.348 -5.976 -3.818 1.00 0.00 C +ATOM 2697 CG1 ILE A 178 -2.430 -5.830 -4.889 1.00 0.00 C +ATOM 2698 CG2 ILE A 178 -1.133 -4.677 -3.038 1.00 0.00 C +ATOM 2699 CD1 ILE A 178 -2.524 -4.383 -5.380 1.00 0.00 C +ATOM 2700 H ILE A 178 0.795 -4.784 -3.534 1.00 0.00 H +ATOM 2701 HA ILE A 178 0.178 -7.445 -3.985 1.00 0.00 H +ATOM 2702 HB ILE A 178 -1.698 -6.724 -3.106 1.00 0.00 H +ATOM 2703 HG12 ILE A 178 -2.207 -6.489 -5.728 1.00 0.00 H +ATOM 2704 HG13 ILE A 178 -3.392 -6.143 -4.485 1.00 0.00 H +ATOM 2705 HG21 ILE A 178 -0.695 -3.926 -3.696 1.00 0.00 H +ATOM 2706 HG22 ILE A 178 -2.091 -4.315 -2.664 1.00 0.00 H +ATOM 2707 HG23 ILE A 178 -0.462 -4.862 -2.200 1.00 0.00 H +ATOM 2708 HD11 ILE A 178 -1.546 -4.056 -5.735 1.00 0.00 H +ATOM 2709 HD12 ILE A 178 -3.245 -4.323 -6.195 1.00 0.00 H +ATOM 2710 HD13 ILE A 178 -2.847 -3.742 -4.561 1.00 0.00 H +ATOM 2711 N ASN A 179 0.076 -5.511 -6.635 1.00 0.00 N +ATOM 2712 CA ASN A 179 0.051 -5.513 -8.088 1.00 0.00 C +ATOM 2713 C ASN A 179 1.226 -6.341 -8.613 1.00 0.00 C +ATOM 2714 O ASN A 179 1.069 -7.128 -9.544 1.00 0.00 O +ATOM 2715 CB ASN A 179 0.187 -4.094 -8.643 1.00 0.00 C +ATOM 2716 CG ASN A 179 0.418 -4.117 -10.156 1.00 0.00 C +ATOM 2717 OD1 ASN A 179 1.305 -4.783 -10.664 1.00 0.00 O +ATOM 2718 ND2 ASN A 179 -0.426 -3.354 -10.844 1.00 0.00 N +ATOM 2719 H ASN A 179 0.222 -4.615 -6.217 1.00 0.00 H +ATOM 2720 HA ASN A 179 -0.914 -5.942 -8.357 1.00 0.00 H +ATOM 2721 HB2 ASN A 179 -0.715 -3.524 -8.419 1.00 0.00 H +ATOM 2722 HB3 ASN A 179 1.016 -3.585 -8.152 1.00 0.00 H +ATOM 2723 HD21 ASN A 179 -1.132 -2.832 -10.365 1.00 0.00 H +ATOM 2724 HD22 ASN A 179 -0.355 -3.303 -11.840 1.00 0.00 H +ATOM 2725 N GLN A 180 2.378 -6.133 -7.992 1.00 0.00 N +ATOM 2726 CA GLN A 180 3.580 -6.850 -8.385 1.00 0.00 C +ATOM 2727 C GLN A 180 3.540 -8.284 -7.853 1.00 0.00 C +ATOM 2728 O GLN A 180 4.199 -9.169 -8.396 1.00 0.00 O +ATOM 2729 CB GLN A 180 4.836 -6.121 -7.903 1.00 0.00 C +ATOM 2730 CG GLN A 180 5.603 -5.513 -9.079 1.00 0.00 C +ATOM 2731 CD GLN A 180 6.489 -6.561 -9.755 1.00 0.00 C +ATOM 2732 OE1 GLN A 180 6.171 -7.737 -9.812 1.00 0.00 O +ATOM 2733 NE2 GLN A 180 7.617 -6.070 -10.262 1.00 0.00 N +ATOM 2734 H GLN A 180 2.498 -5.490 -7.235 1.00 0.00 H +ATOM 2735 HA GLN A 180 3.569 -6.859 -9.475 1.00 0.00 H +ATOM 2736 HB2 GLN A 180 4.557 -5.335 -7.201 1.00 0.00 H +ATOM 2737 HB3 GLN A 180 5.480 -6.815 -7.364 1.00 0.00 H +ATOM 2738 HG2 GLN A 180 4.899 -5.104 -9.804 1.00 0.00 H +ATOM 2739 HG3 GLN A 180 6.217 -4.684 -8.728 1.00 0.00 H +ATOM 2740 HE21 GLN A 180 7.818 -5.094 -10.181 1.00 0.00 H +ATOM 2741 HE22 GLN A 180 8.263 -6.677 -10.724 1.00 0.00 H +ATOM 2742 N ASN A 181 2.761 -8.468 -6.797 1.00 0.00 N +ATOM 2743 CA ASN A 181 2.627 -9.779 -6.186 1.00 0.00 C +ATOM 2744 C ASN A 181 1.310 -10.415 -6.637 1.00 0.00 C +ATOM 2745 O ASN A 181 0.792 -10.089 -7.704 1.00 0.00 O +ATOM 2746 CB ASN A 181 2.603 -9.676 -4.660 1.00 0.00 C +ATOM 2747 CG ASN A 181 3.075 -10.980 -4.014 1.00 0.00 C +ATOM 2748 OD1 ASN A 181 2.414 -11.559 -3.168 1.00 0.00 O +ATOM 2749 ND2 ASN A 181 4.253 -11.408 -4.459 1.00 0.00 N +ATOM 2750 H ASN A 181 2.228 -7.742 -6.362 1.00 0.00 H +ATOM 2751 HA ASN A 181 3.498 -10.342 -6.521 1.00 0.00 H +ATOM 2752 HB2 ASN A 181 3.243 -8.854 -4.337 1.00 0.00 H +ATOM 2753 HB3 ASN A 181 1.593 -9.444 -4.323 1.00 0.00 H +ATOM 2754 HD21 ASN A 181 4.745 -10.885 -5.156 1.00 0.00 H +ATOM 2755 HD22 ASN A 181 4.647 -12.253 -4.098 1.00 0.00 H +ATOM 2756 N LEU A 182 0.806 -11.311 -5.801 1.00 0.00 N +ATOM 2757 CA LEU A 182 -0.440 -11.996 -6.101 1.00 0.00 C +ATOM 2758 C LEU A 182 -1.598 -11.254 -5.430 1.00 0.00 C +ATOM 2759 O LEU A 182 -2.129 -11.709 -4.418 1.00 0.00 O +ATOM 2760 CB LEU A 182 -0.348 -13.472 -5.710 1.00 0.00 C +ATOM 2761 CG LEU A 182 1.057 -14.078 -5.704 1.00 0.00 C +ATOM 2762 CD1 LEU A 182 1.906 -13.506 -6.841 1.00 0.00 C +ATOM 2763 CD2 LEU A 182 1.727 -13.894 -4.340 1.00 0.00 C +ATOM 2764 H LEU A 182 1.233 -11.571 -4.935 1.00 0.00 H +ATOM 2765 HA LEU A 182 -0.584 -11.956 -7.180 1.00 0.00 H +ATOM 2766 HB2 LEU A 182 -0.778 -13.593 -4.716 1.00 0.00 H +ATOM 2767 HB3 LEU A 182 -0.967 -14.049 -6.397 1.00 0.00 H +ATOM 2768 HG LEU A 182 0.968 -15.150 -5.876 1.00 0.00 H +ATOM 2769 HD11 LEU A 182 1.258 -13.014 -7.566 1.00 0.00 H +ATOM 2770 HD12 LEU A 182 2.615 -12.783 -6.438 1.00 0.00 H +ATOM 2771 HD13 LEU A 182 2.450 -14.314 -7.330 1.00 0.00 H +ATOM 2772 HD21 LEU A 182 1.085 -13.290 -3.699 1.00 0.00 H +ATOM 2773 HD22 LEU A 182 1.888 -14.868 -3.880 1.00 0.00 H +ATOM 2774 HD23 LEU A 182 2.686 -13.391 -4.471 1.00 0.00 H +ATOM 2775 N PHE A 183 -1.956 -10.124 -6.022 1.00 0.00 N +ATOM 2776 CA PHE A 183 -3.042 -9.314 -5.495 1.00 0.00 C +ATOM 2777 C PHE A 183 -3.277 -9.611 -4.012 1.00 0.00 C +ATOM 2778 O PHE A 183 -2.728 -8.933 -3.145 1.00 0.00 O +ATOM 2779 CB PHE A 183 -4.300 -9.685 -6.282 1.00 0.00 C +ATOM 2780 CG PHE A 183 -5.606 -9.418 -5.532 1.00 0.00 C +ATOM 2781 CD1 PHE A 183 -5.761 -8.267 -4.825 1.00 0.00 C +ATOM 2782 CD2 PHE A 183 -6.612 -10.332 -5.571 1.00 0.00 C +ATOM 2783 CE1 PHE A 183 -6.973 -8.019 -4.128 1.00 0.00 C +ATOM 2784 CE2 PHE A 183 -7.824 -10.085 -4.874 1.00 0.00 C +ATOM 2785 CZ PHE A 183 -7.979 -8.933 -4.167 1.00 0.00 C +ATOM 2786 H PHE A 183 -1.520 -9.760 -6.845 1.00 0.00 H +ATOM 2787 HA PHE A 183 -2.754 -8.270 -5.613 1.00 0.00 H +ATOM 2788 HB2 PHE A 183 -4.309 -9.125 -7.217 1.00 0.00 H +ATOM 2789 HB3 PHE A 183 -4.253 -10.742 -6.545 1.00 0.00 H +ATOM 2790 HD1 PHE A 183 -4.954 -7.534 -4.793 1.00 0.00 H +ATOM 2791 HD2 PHE A 183 -6.488 -11.255 -6.138 1.00 0.00 H +ATOM 2792 HE1 PHE A 183 -7.097 -7.096 -3.561 1.00 0.00 H +ATOM 2793 HE2 PHE A 183 -8.630 -10.817 -4.906 1.00 0.00 H +ATOM 2794 HZ PHE A 183 -8.909 -8.743 -3.632 1.00 0.00 H +ATOM 2795 N SER A 184 -4.094 -10.625 -3.767 1.00 0.00 N +ATOM 2796 CA SER A 184 -4.408 -11.020 -2.405 1.00 0.00 C +ATOM 2797 C SER A 184 -3.887 -12.434 -2.136 1.00 0.00 C +ATOM 2798 O SER A 184 -4.371 -13.400 -2.723 1.00 0.00 O +ATOM 2799 CB SER A 184 -5.915 -10.952 -2.145 1.00 0.00 C +ATOM 2800 OG SER A 184 -6.315 -11.822 -1.089 1.00 0.00 O +ATOM 2801 H SER A 184 -4.536 -11.172 -4.478 1.00 0.00 H +ATOM 2802 HA SER A 184 -3.898 -10.297 -1.769 1.00 0.00 H +ATOM 2803 HB2 SER A 184 -6.194 -9.928 -1.897 1.00 0.00 H +ATOM 2804 HB3 SER A 184 -6.452 -11.217 -3.056 1.00 0.00 H +ATOM 2805 HG SER A 184 -7.297 -11.998 -1.145 1.00 0.00 H +ATOM 2806 N TYR A 185 -2.907 -12.509 -1.248 1.00 0.00 N +ATOM 2807 CA TYR A 185 -2.314 -13.788 -0.894 1.00 0.00 C +ATOM 2808 C TYR A 185 -3.393 -14.852 -0.680 1.00 0.00 C +ATOM 2809 O TYR A 185 -3.163 -16.034 -0.931 1.00 0.00 O +ATOM 2810 CB TYR A 185 -1.573 -13.559 0.425 1.00 0.00 C +ATOM 2811 CG TYR A 185 -0.990 -14.833 1.040 1.00 0.00 C +ATOM 2812 CD1 TYR A 185 0.067 -15.474 0.426 1.00 0.00 C +ATOM 2813 CD2 TYR A 185 -1.520 -15.340 2.209 1.00 0.00 C +ATOM 2814 CE1 TYR A 185 0.616 -16.673 1.005 1.00 0.00 C +ATOM 2815 CE2 TYR A 185 -0.971 -16.539 2.788 1.00 0.00 C +ATOM 2816 CZ TYR A 185 0.070 -17.146 2.158 1.00 0.00 C +ATOM 2817 OH TYR A 185 0.588 -18.278 2.704 1.00 0.00 O +ATOM 2818 H TYR A 185 -2.518 -11.718 -0.774 1.00 0.00 H +ATOM 2819 HA TYR A 185 -1.667 -14.097 -1.714 1.00 0.00 H +ATOM 2820 HB2 TYR A 185 -0.766 -12.846 0.257 1.00 0.00 H +ATOM 2821 HB3 TYR A 185 -2.257 -13.103 1.140 1.00 0.00 H +ATOM 2822 HD1 TYR A 185 0.486 -15.073 -0.497 1.00 0.00 H +ATOM 2823 HD2 TYR A 185 -2.354 -14.833 2.694 1.00 0.00 H +ATOM 2824 HE1 TYR A 185 1.450 -17.189 0.531 1.00 0.00 H +ATOM 2825 HE2 TYR A 185 -1.380 -16.950 3.711 1.00 0.00 H +ATOM 2826 HH TYR A 185 0.426 -19.056 2.098 1.00 0.00 H +ATOM 2827 N VAL A 186 -4.548 -14.393 -0.219 1.00 0.00 N +ATOM 2828 CA VAL A 186 -5.663 -15.290 0.031 1.00 0.00 C +ATOM 2829 C VAL A 186 -6.244 -15.760 -1.305 1.00 0.00 C +ATOM 2830 O VAL A 186 -6.623 -16.921 -1.447 1.00 0.00 O +ATOM 2831 CB VAL A 186 -6.698 -14.603 0.924 1.00 0.00 C +ATOM 2832 CG1 VAL A 186 -7.851 -15.552 1.257 1.00 0.00 C +ATOM 2833 CG2 VAL A 186 -6.048 -14.062 2.199 1.00 0.00 C +ATOM 2834 H VAL A 186 -4.727 -13.430 -0.018 1.00 0.00 H +ATOM 2835 HA VAL A 186 -5.275 -16.156 0.568 1.00 0.00 H +ATOM 2836 HB VAL A 186 -7.108 -13.757 0.372 1.00 0.00 H +ATOM 2837 HG11 VAL A 186 -7.984 -16.262 0.441 1.00 0.00 H +ATOM 2838 HG12 VAL A 186 -7.624 -16.092 2.175 1.00 0.00 H +ATOM 2839 HG13 VAL A 186 -8.767 -14.976 1.390 1.00 0.00 H +ATOM 2840 HG21 VAL A 186 -5.255 -14.738 2.518 1.00 0.00 H +ATOM 2841 HG22 VAL A 186 -5.626 -13.076 2.001 1.00 0.00 H +ATOM 2842 HG23 VAL A 186 -6.799 -13.985 2.985 1.00 0.00 H +ATOM 2843 N ARG A 187 -6.295 -14.832 -2.250 1.00 0.00 N +ATOM 2844 CA ARG A 187 -6.824 -15.137 -3.569 1.00 0.00 C +ATOM 2845 C ARG A 187 -6.100 -16.346 -4.165 1.00 0.00 C +ATOM 2846 O ARG A 187 -6.736 -17.317 -4.570 1.00 0.00 O +ATOM 2847 CB ARG A 187 -6.670 -13.942 -4.513 1.00 0.00 C +ATOM 2848 CG ARG A 187 -7.437 -14.171 -5.816 1.00 0.00 C +ATOM 2849 CD ARG A 187 -8.946 -14.059 -5.591 1.00 0.00 C +ATOM 2850 NE ARG A 187 -9.667 -14.306 -6.860 1.00 0.00 N +ATOM 2851 CZ ARG A 187 -9.896 -13.361 -7.796 1.00 0.00 C +ATOM 2852 NH1 ARG A 187 -9.462 -12.096 -7.614 1.00 0.00 N +ATOM 2853 NH2 ARG A 187 -10.552 -13.693 -8.893 1.00 0.00 N +ATOM 2854 H ARG A 187 -5.985 -13.890 -2.126 1.00 0.00 H +ATOM 2855 HA ARG A 187 -7.879 -15.354 -3.403 1.00 0.00 H +ATOM 2856 HB2 ARG A 187 -7.036 -13.039 -4.025 1.00 0.00 H +ATOM 2857 HB3 ARG A 187 -5.614 -13.781 -4.731 1.00 0.00 H +ATOM 2858 HG2 ARG A 187 -7.122 -13.441 -6.561 1.00 0.00 H +ATOM 2859 HG3 ARG A 187 -7.198 -15.157 -6.215 1.00 0.00 H +ATOM 2860 HD2 ARG A 187 -9.264 -14.778 -4.836 1.00 0.00 H +ATOM 2861 HD3 ARG A 187 -9.193 -13.068 -5.210 1.00 0.00 H +ATOM 2862 HE ARG A 187 -10.006 -15.231 -7.034 1.00 0.00 H +ATOM 2863 HH22 ARG A 187 -10.762 -13.055 -9.634 1.00 0.00 H +ATOM 2864 N ASN A 188 -4.779 -16.246 -4.199 1.00 0.00 N +ATOM 2865 CA ASN A 188 -3.961 -17.319 -4.739 1.00 0.00 C +ATOM 2866 C ASN A 188 -4.167 -18.583 -3.901 1.00 0.00 C +ATOM 2867 O ASN A 188 -4.322 -19.675 -4.445 1.00 0.00 O +ATOM 2868 CB ASN A 188 -2.476 -16.958 -4.691 1.00 0.00 C +ATOM 2869 CG ASN A 188 -2.156 -16.113 -3.456 1.00 0.00 C +ATOM 2870 OD1 ASN A 188 -2.813 -15.129 -3.159 1.00 0.00 O +ATOM 2871 ND2 ASN A 188 -1.114 -16.550 -2.756 1.00 0.00 N +ATOM 2872 H ASN A 188 -4.269 -15.452 -3.868 1.00 0.00 H +ATOM 2873 HA ASN A 188 -4.295 -17.443 -5.769 1.00 0.00 H +ATOM 2874 HB2 ASN A 188 -1.876 -17.868 -4.678 1.00 0.00 H +ATOM 2875 HB3 ASN A 188 -2.202 -16.409 -5.592 1.00 0.00 H +ATOM 2876 HD21 ASN A 188 -0.617 -17.365 -3.056 1.00 0.00 H +ATOM 2877 HD22 ASN A 188 -0.826 -16.065 -1.931 1.00 0.00 H +ATOM 2878 N LEU A 189 -4.163 -18.391 -2.589 1.00 0.00 N +ATOM 2879 CA LEU A 189 -4.347 -19.502 -1.671 1.00 0.00 C +ATOM 2880 C LEU A 189 -5.635 -20.247 -2.029 1.00 0.00 C +ATOM 2881 O LEU A 189 -5.657 -21.476 -2.059 1.00 0.00 O +ATOM 2882 CB LEU A 189 -4.304 -19.011 -0.222 1.00 0.00 C +ATOM 2883 CG LEU A 189 -4.750 -20.018 0.841 1.00 0.00 C +ATOM 2884 CD1 LEU A 189 -3.682 -21.090 1.064 1.00 0.00 C +ATOM 2885 CD2 LEU A 189 -5.131 -19.309 2.142 1.00 0.00 C +ATOM 2886 H LEU A 189 -4.036 -17.500 -2.155 1.00 0.00 H +ATOM 2887 HA LEU A 189 -3.506 -20.181 -1.806 1.00 0.00 H +ATOM 2888 HB2 LEU A 189 -3.284 -18.701 0.006 1.00 0.00 H +ATOM 2889 HB3 LEU A 189 -4.932 -18.125 -0.141 1.00 0.00 H +ATOM 2890 HG LEU A 189 -5.644 -20.525 0.477 1.00 0.00 H +ATOM 2891 HD11 LEU A 189 -3.002 -21.108 0.212 1.00 0.00 H +ATOM 2892 HD12 LEU A 189 -3.122 -20.861 1.971 1.00 0.00 H +ATOM 2893 HD13 LEU A 189 -4.160 -22.064 1.167 1.00 0.00 H +ATOM 2894 HD21 LEU A 189 -5.059 -18.230 2.002 1.00 0.00 H +ATOM 2895 HD22 LEU A 189 -6.154 -19.572 2.413 1.00 0.00 H +ATOM 2896 HD23 LEU A 189 -4.453 -19.619 2.937 1.00 0.00 H +ATOM 2897 N VAL A 190 -6.675 -19.471 -2.294 1.00 0.00 N +ATOM 2898 CA VAL A 190 -7.963 -20.041 -2.650 1.00 0.00 C +ATOM 2899 C VAL A 190 -7.801 -20.922 -3.890 1.00 0.00 C +ATOM 2900 O VAL A 190 -8.307 -22.043 -3.931 1.00 0.00 O +ATOM 2901 CB VAL A 190 -8.995 -18.928 -2.838 1.00 0.00 C +ATOM 2902 CG1 VAL A 190 -10.314 -19.487 -3.377 1.00 0.00 C +ATOM 2903 CG2 VAL A 190 -9.218 -18.160 -1.534 1.00 0.00 C +ATOM 2904 H VAL A 190 -6.649 -18.471 -2.268 1.00 0.00 H +ATOM 2905 HA VAL A 190 -8.288 -20.665 -1.817 1.00 0.00 H +ATOM 2906 HB VAL A 190 -8.602 -18.228 -3.576 1.00 0.00 H +ATOM 2907 HG11 VAL A 190 -10.491 -20.474 -2.950 1.00 0.00 H +ATOM 2908 HG12 VAL A 190 -11.131 -18.820 -3.102 1.00 0.00 H +ATOM 2909 HG13 VAL A 190 -10.258 -19.565 -4.463 1.00 0.00 H +ATOM 2910 HG21 VAL A 190 -8.355 -18.294 -0.881 1.00 0.00 H +ATOM 2911 HG22 VAL A 190 -9.346 -17.100 -1.753 1.00 0.00 H +ATOM 2912 HG23 VAL A 190 -10.111 -18.538 -1.037 1.00 0.00 H +ATOM 2913 N ARG A 191 -7.093 -20.382 -4.871 1.00 0.00 N +ATOM 2914 CA ARG A 191 -6.858 -21.105 -6.110 1.00 0.00 C +ATOM 2915 C ARG A 191 -6.120 -22.415 -5.827 1.00 0.00 C +ATOM 2916 O ARG A 191 -6.544 -23.479 -6.275 1.00 0.00 O +ATOM 2917 CB ARG A 191 -6.036 -20.265 -7.090 1.00 0.00 C +ATOM 2918 CG ARG A 191 -6.942 -19.558 -8.100 1.00 0.00 C +ATOM 2919 CD ARG A 191 -6.141 -18.581 -8.964 1.00 0.00 C +ATOM 2920 NE ARG A 191 -6.676 -18.572 -10.344 1.00 0.00 N +ATOM 2921 CZ ARG A 191 -6.451 -19.548 -11.249 1.00 0.00 C +ATOM 2922 NH1 ARG A 191 -5.698 -20.621 -10.927 1.00 0.00 N +ATOM 2923 NH2 ARG A 191 -6.978 -19.436 -12.455 1.00 0.00 N +ATOM 2924 H ARG A 191 -6.685 -19.470 -4.830 1.00 0.00 H +ATOM 2925 HA ARG A 191 -7.852 -21.294 -6.515 1.00 0.00 H +ATOM 2926 HB2 ARG A 191 -5.452 -19.527 -6.540 1.00 0.00 H +ATOM 2927 HB3 ARG A 191 -5.327 -20.904 -7.616 1.00 0.00 H +ATOM 2928 HG2 ARG A 191 -7.429 -20.297 -8.736 1.00 0.00 H +ATOM 2929 HG3 ARG A 191 -7.730 -19.021 -7.573 1.00 0.00 H +ATOM 2930 HD2 ARG A 191 -6.193 -17.579 -8.538 1.00 0.00 H +ATOM 2931 HD3 ARG A 191 -5.090 -18.869 -8.974 1.00 0.00 H +ATOM 2932 HE ARG A 191 -7.239 -17.794 -10.623 1.00 0.00 H +ATOM 2933 HH22 ARG A 191 -6.860 -20.113 -13.181 1.00 0.00 H +ATOM 2934 N ASN A 192 -5.028 -22.294 -5.086 1.00 0.00 N +ATOM 2935 CA ASN A 192 -4.227 -23.456 -4.739 1.00 0.00 C +ATOM 2936 C ASN A 192 -5.117 -24.500 -4.062 1.00 0.00 C +ATOM 2937 O ASN A 192 -5.092 -25.674 -4.428 1.00 0.00 O +ATOM 2938 CB ASN A 192 -3.110 -23.083 -3.762 1.00 0.00 C +ATOM 2939 CG ASN A 192 -1.909 -22.491 -4.503 1.00 0.00 C +ATOM 2940 OD1 ASN A 192 -1.957 -22.206 -5.688 1.00 0.00 O +ATOM 2941 ND2 ASN A 192 -0.833 -22.323 -3.741 1.00 0.00 N +ATOM 2942 H ASN A 192 -4.690 -21.425 -4.726 1.00 0.00 H +ATOM 2943 HA ASN A 192 -3.812 -23.810 -5.682 1.00 0.00 H +ATOM 2944 HB2 ASN A 192 -3.484 -22.362 -3.034 1.00 0.00 H +ATOM 2945 HB3 ASN A 192 -2.799 -23.966 -3.205 1.00 0.00 H +ATOM 2946 HD21 ASN A 192 -0.860 -22.577 -2.774 1.00 0.00 H +ATOM 2947 HD22 ASN A 192 0.004 -21.941 -4.134 1.00 0.00 H +ATOM 2948 N GLU A 193 -5.884 -24.035 -3.086 1.00 0.00 N +ATOM 2949 CA GLU A 193 -6.780 -24.914 -2.355 1.00 0.00 C +ATOM 2950 C GLU A 193 -7.971 -25.306 -3.232 1.00 0.00 C +ATOM 2951 O GLU A 193 -8.287 -24.617 -4.201 1.00 0.00 O +ATOM 2952 CB GLU A 193 -7.250 -24.259 -1.055 1.00 0.00 C +ATOM 2953 CG GLU A 193 -7.191 -25.249 0.110 1.00 0.00 C +ATOM 2954 CD GLU A 193 -8.594 -25.567 0.631 1.00 0.00 C +ATOM 2955 OE1 GLU A 193 -9.100 -24.675 1.414 1.00 0.00 O +ATOM 2956 OE2 GLU A 193 -9.157 -26.619 0.295 1.00 0.00 O +ATOM 2957 H GLU A 193 -5.898 -23.078 -2.795 1.00 0.00 H +ATOM 2958 HA GLU A 193 -6.189 -25.798 -2.117 1.00 0.00 H +ATOM 2959 HB2 GLU A 193 -6.625 -23.394 -0.833 1.00 0.00 H +ATOM 2960 HB3 GLU A 193 -8.270 -23.893 -1.175 1.00 0.00 H +ATOM 2961 HG2 GLU A 193 -6.703 -26.169 -0.214 1.00 0.00 H +ATOM 2962 HG3 GLU A 193 -6.586 -24.834 0.915 1.00 0.00 H +ATOM 2963 N MET A 194 -8.599 -26.413 -2.862 1.00 0.00 N +ATOM 2964 CA MET A 194 -9.747 -26.905 -3.603 1.00 0.00 C +ATOM 2965 C MET A 194 -9.326 -27.450 -4.969 1.00 0.00 C +ATOM 2966 O MET A 194 -8.489 -26.856 -5.647 1.00 0.00 O +ATOM 2967 CB MET A 194 -10.756 -25.771 -3.794 1.00 0.00 C +ATOM 2968 CG MET A 194 -12.164 -26.324 -4.028 1.00 0.00 C +ATOM 2969 SD MET A 194 -12.534 -26.332 -5.774 1.00 0.00 S +ATOM 2970 CE MET A 194 -14.073 -27.235 -5.761 1.00 0.00 C +ATOM 2971 H MET A 194 -8.335 -26.968 -2.073 1.00 0.00 H +ATOM 2972 HA MET A 194 -10.164 -27.709 -2.996 1.00 0.00 H +ATOM 2973 HB2 MET A 194 -10.756 -25.127 -2.914 1.00 0.00 H +ATOM 2974 HB3 MET A 194 -10.458 -25.154 -4.641 1.00 0.00 H +ATOM 2975 HG2 MET A 194 -12.238 -27.335 -3.627 1.00 0.00 H +ATOM 2976 HG3 MET A 194 -12.895 -25.715 -3.496 1.00 0.00 H +ATOM 2977 HE1 MET A 194 -14.542 -27.140 -4.781 1.00 0.00 H +ATOM 2978 HE2 MET A 194 -14.739 -26.830 -6.523 1.00 0.00 H +ATOM 2979 HE3 MET A 194 -13.879 -28.287 -5.970 1.00 0.00 H +ATOM 2980 N ASP A 195 -9.925 -28.574 -5.332 1.00 0.00 N +ATOM 2981 CA ASP A 195 -9.623 -29.206 -6.606 1.00 0.00 C +ATOM 2982 C ASP A 195 -10.584 -28.678 -7.673 1.00 0.00 C +ATOM 2983 O ASP A 195 -10.331 -28.824 -8.868 1.00 0.00 O +ATOM 2984 CB ASP A 195 -9.795 -30.724 -6.523 1.00 0.00 C +ATOM 2985 CG ASP A 195 -8.804 -31.438 -5.602 1.00 0.00 C +ATOM 2986 OD1 ASP A 195 -7.571 -31.379 -5.977 1.00 0.00 O +ATOM 2987 OD2 ASP A 195 -9.190 -32.021 -4.577 1.00 0.00 O +ATOM 2988 H ASP A 195 -10.605 -29.051 -4.775 1.00 0.00 H +ATOM 2989 HA ASP A 195 -8.585 -28.947 -6.814 1.00 0.00 H +ATOM 2990 HB2 ASP A 195 -10.807 -30.941 -6.181 1.00 0.00 H +ATOM 2991 HB3 ASP A 195 -9.702 -31.140 -7.525 1.00 0.00 H +TER 2992 ASP A 195 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_CJUN_1JNMB_1JNMB/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_CJUN_1JNMB_1JNMB/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2bc7d6eea2f228336c025586e090945d5dd5ed8d --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_CJUN_1JNMB_1JNMB/state_a.pdb @@ -0,0 +1,468 @@ +ATOM 1 N LYS B 254 3.143 -18.753 -4.963 1.00 59.38 N +ATOM 2 CA LYS B 254 3.303 -17.619 -5.919 1.00 61.85 C +ATOM 3 C LYS B 254 3.925 -16.408 -5.224 1.00 62.74 C +ATOM 4 O LYS B 254 3.487 -15.997 -4.146 1.00 62.95 O +ATOM 5 CB LYS B 254 1.950 -17.239 -6.511 1.00 63.47 C +ATOM 6 CG LYS B 254 2.017 -16.160 -7.562 1.00 65.74 C +ATOM 7 CD LYS B 254 0.651 -15.941 -8.164 1.00 66.15 C +ATOM 8 CE LYS B 254 0.686 -14.842 -9.193 1.00 67.43 C +ATOM 9 NZ LYS B 254 -0.634 -14.714 -9.869 1.00 69.31 N +ATOM 10 N ALA B 255 4.951 -15.842 -5.854 1.00 62.63 N +ATOM 11 CA ALA B 255 5.671 -14.699 -5.304 1.00 59.89 C +ATOM 12 C ALA B 255 4.750 -13.556 -4.943 1.00 56.64 C +ATOM 13 O ALA B 255 4.723 -13.117 -3.801 1.00 59.14 O +ATOM 14 CB ALA B 255 6.727 -14.224 -6.290 1.00 60.42 C +ATOM 15 N GLU B 256 4.005 -13.071 -5.923 1.00 54.15 N +ATOM 16 CA GLU B 256 3.077 -11.971 -5.714 1.00 52.87 C +ATOM 17 C GLU B 256 2.296 -12.123 -4.398 1.00 50.75 C +ATOM 18 O GLU B 256 2.211 -11.193 -3.604 1.00 47.64 O +ATOM 19 CB GLU B 256 2.098 -11.913 -6.879 1.00 56.84 C +ATOM 20 CG GLU B 256 1.223 -10.699 -6.858 1.00 65.37 C +ATOM 21 CD GLU B 256 1.925 -9.486 -7.424 1.00 71.52 C +ATOM 22 OE1 GLU B 256 2.146 -9.455 -8.659 1.00 75.20 O +ATOM 23 OE2 GLU B 256 2.261 -8.569 -6.640 1.00 74.49 O +ATOM 24 N ARG B 257 1.732 -13.308 -4.173 1.00 48.89 N +ATOM 25 CA ARG B 257 0.954 -13.568 -2.969 1.00 46.54 C +ATOM 26 C ARG B 257 1.794 -13.656 -1.693 1.00 45.47 C +ATOM 27 O ARG B 257 1.335 -13.289 -0.607 1.00 41.91 O +ATOM 28 CB ARG B 257 0.131 -14.839 -3.153 1.00 47.53 C +ATOM 29 CG ARG B 257 -1.260 -14.597 -3.763 1.00 47.83 C +ATOM 30 CD ARG B 257 -2.170 -13.883 -2.779 1.00 47.26 C +ATOM 31 NE ARG B 257 -3.586 -14.134 -3.037 1.00 48.99 N +ATOM 32 CZ ARG B 257 -4.279 -13.608 -4.039 1.00 51.03 C +ATOM 33 NH1 ARG B 257 -3.696 -12.789 -4.901 1.00 51.17 N +ATOM 34 NH2 ARG B 257 -5.562 -13.905 -4.180 1.00 54.57 N +ATOM 35 N LYS B 258 3.018 -14.152 -1.825 1.00 43.55 N +ATOM 36 CA LYS B 258 3.916 -14.240 -0.687 1.00 42.14 C +ATOM 37 C LYS B 258 4.061 -12.811 -0.141 1.00 38.27 C +ATOM 38 O LYS B 258 3.751 -12.551 1.019 1.00 39.08 O +ATOM 39 CB LYS B 258 5.266 -14.792 -1.141 1.00 44.12 C +ATOM 40 CG LYS B 258 6.119 -15.365 -0.025 1.00 47.84 C +ATOM 41 CD LYS B 258 7.503 -15.745 -0.537 1.00 52.15 C +ATOM 42 CE LYS B 258 8.529 -15.790 0.594 1.00 55.95 C +ATOM 43 NZ LYS B 258 9.939 -15.806 0.077 1.00 58.84 N +ATOM 44 N ARG B 259 4.478 -11.877 -0.987 1.00 35.57 N +ATOM 45 CA ARG B 259 4.637 -10.496 -0.550 1.00 36.43 C +ATOM 46 C ARG B 259 3.385 -9.950 0.074 1.00 36.80 C +ATOM 47 O ARG B 259 3.448 -9.147 0.999 1.00 35.96 O +ATOM 48 CB ARG B 259 5.007 -9.574 -1.702 1.00 39.93 C +ATOM 49 CG ARG B 259 6.436 -9.663 -2.158 1.00 40.59 C +ATOM 50 CD ARG B 259 6.782 -8.401 -2.915 1.00 45.00 C +ATOM 51 NE ARG B 259 5.786 -8.071 -3.934 1.00 46.29 N +ATOM 52 CZ ARG B 259 5.623 -8.735 -5.077 1.00 47.76 C +ATOM 53 NH1 ARG B 259 6.394 -9.778 -5.362 1.00 44.79 N +ATOM 54 NH2 ARG B 259 4.688 -8.348 -5.939 1.00 47.08 N +ATOM 55 N MET B 260 2.238 -10.364 -0.449 1.00 38.18 N +ATOM 56 CA MET B 260 0.967 -9.889 0.088 1.00 38.29 C +ATOM 57 C MET B 260 0.799 -10.321 1.543 1.00 37.41 C +ATOM 58 O MET B 260 0.415 -9.526 2.398 1.00 34.74 O +ATOM 59 CB MET B 260 -0.173 -10.421 -0.764 1.00 42.16 C +ATOM 60 CG MET B 260 -0.107 -9.897 -2.186 1.00 51.11 C +ATOM 61 SD MET B 260 -1.086 -10.827 -3.380 1.00 59.56 S +ATOM 62 CE MET B 260 -1.104 -9.662 -4.800 1.00 58.72 C +ATOM 63 N ARG B 261 1.103 -11.582 1.825 1.00 34.05 N +ATOM 64 CA ARG B 261 0.978 -12.073 3.180 1.00 35.06 C +ATOM 65 C ARG B 261 1.995 -11.361 4.090 1.00 32.86 C +ATOM 66 O ARG B 261 1.690 -11.015 5.223 1.00 27.83 O +ATOM 67 CB ARG B 261 1.187 -13.592 3.206 1.00 33.19 C +ATOM 68 CG ARG B 261 0.044 -14.395 2.590 1.00 37.92 C +ATOM 69 CD ARG B 261 0.174 -15.887 2.901 1.00 35.58 C +ATOM 70 NE ARG B 261 1.532 -16.380 2.678 1.00 41.68 N +ATOM 71 CZ ARG B 261 1.989 -16.863 1.529 1.00 39.74 C +ATOM 72 NH1 ARG B 261 1.197 -16.937 0.473 1.00 42.50 N +ATOM 73 NH2 ARG B 261 3.247 -17.262 1.434 1.00 40.17 N +ATOM 74 N ASN B 262 3.194 -11.132 3.567 1.00 32.18 N +ATOM 75 CA ASN B 262 4.229 -10.475 4.330 1.00 34.77 C +ATOM 76 C ASN B 262 3.801 -9.060 4.691 1.00 36.23 C +ATOM 77 O ASN B 262 4.061 -8.594 5.796 1.00 34.90 O +ATOM 78 CB ASN B 262 5.534 -10.430 3.542 1.00 37.58 C +ATOM 79 CG ASN B 262 6.737 -10.089 4.426 1.00 40.39 C +ATOM 80 OD1 ASN B 262 7.478 -9.132 4.155 1.00 34.33 O +ATOM 81 ND2 ASN B 262 6.936 -10.881 5.483 1.00 34.46 N +ATOM 82 N ARG B 263 3.146 -8.364 3.770 1.00 34.44 N +ATOM 83 CA ARG B 263 2.712 -7.027 4.098 1.00 33.17 C +ATOM 84 C ARG B 263 1.851 -7.128 5.351 1.00 32.31 C +ATOM 85 O ARG B 263 1.987 -6.335 6.280 1.00 35.14 O +ATOM 86 CB ARG B 263 1.901 -6.405 2.964 1.00 36.83 C +ATOM 87 CG ARG B 263 1.432 -5.001 3.319 1.00 37.54 C +ATOM 88 CD ARG B 263 0.330 -4.500 2.421 1.00 41.43 C +ATOM 89 NE ARG B 263 0.740 -4.490 1.032 1.00 43.96 N +ATOM 90 CZ ARG B 263 0.020 -3.956 0.058 1.00 47.07 C +ATOM 91 NH1 ARG B 263 -1.145 -3.391 0.336 1.00 44.40 N +ATOM 92 NH2 ARG B 263 0.474 -3.981 -1.189 1.00 49.70 N +ATOM 93 N ILE B 264 0.961 -8.107 5.383 1.00 29.00 N +ATOM 94 CA ILE B 264 0.117 -8.288 6.550 1.00 30.97 C +ATOM 95 C ILE B 264 0.947 -8.667 7.793 1.00 28.98 C +ATOM 96 O ILE B 264 0.725 -8.146 8.876 1.00 29.15 O +ATOM 97 CB ILE B 264 -0.950 -9.371 6.295 1.00 29.27 C +ATOM 98 CG1 ILE B 264 -2.123 -8.741 5.547 1.00 34.17 C +ATOM 99 CG2 ILE B 264 -1.433 -9.994 7.616 1.00 25.02 C +ATOM 100 CD1 ILE B 264 -3.253 -9.716 5.273 1.00 33.42 C +ATOM 101 N ALA B 265 1.888 -9.583 7.627 1.00 28.66 N +ATOM 102 CA ALA B 265 2.715 -10.001 8.747 1.00 28.98 C +ATOM 103 C ALA B 265 3.373 -8.756 9.345 1.00 31.12 C +ATOM 104 O ALA B 265 3.328 -8.545 10.554 1.00 32.66 O +ATOM 105 CB ALA B 265 3.763 -10.987 8.278 1.00 20.11 C +ATOM 106 N ALA B 266 3.951 -7.921 8.483 1.00 31.70 N +ATOM 107 CA ALA B 266 4.618 -6.707 8.928 1.00 33.88 C +ATOM 108 C ALA B 266 3.685 -5.830 9.725 1.00 35.07 C +ATOM 109 O ALA B 266 4.091 -5.202 10.689 1.00 33.93 O +ATOM 110 CB ALA B 266 5.168 -5.925 7.743 1.00 27.91 C +ATOM 111 N SER B 267 2.424 -5.780 9.332 1.00 36.04 N +ATOM 112 CA SER B 267 1.501 -4.938 10.065 1.00 34.01 C +ATOM 113 C SER B 267 1.261 -5.435 11.504 1.00 31.96 C +ATOM 114 O SER B 267 1.171 -4.622 12.419 1.00 28.68 O +ATOM 115 CB SER B 267 0.184 -4.816 9.302 1.00 28.34 C +ATOM 116 OG SER B 267 -0.719 -3.963 9.985 1.00 32.20 O +ATOM 117 N LYS B 268 1.146 -6.746 11.707 1.00 31.30 N +ATOM 118 CA LYS B 268 0.925 -7.277 13.059 1.00 36.66 C +ATOM 119 C LYS B 268 2.194 -7.097 13.882 1.00 37.37 C +ATOM 120 O LYS B 268 2.153 -6.753 15.057 1.00 38.37 O +ATOM 121 CB LYS B 268 0.558 -8.767 13.026 1.00 37.77 C +ATOM 122 CG LYS B 268 -0.796 -9.056 12.372 1.00 42.19 C +ATOM 123 CD LYS B 268 -1.051 -10.553 12.265 1.00 39.76 C +ATOM 124 CE LYS B 268 -2.219 -10.848 11.345 1.00 39.23 C +ATOM 125 NZ LYS B 268 -2.336 -12.307 11.063 1.00 36.97 N +ATOM 126 N SER B 269 3.327 -7.327 13.236 1.00 37.61 N +ATOM 127 CA SER B 269 4.610 -7.186 13.883 1.00 38.28 C +ATOM 128 C SER B 269 4.768 -5.749 14.399 1.00 38.74 C +ATOM 129 O SER B 269 5.065 -5.557 15.571 1.00 40.00 O +ATOM 130 CB SER B 269 5.718 -7.552 12.897 1.00 37.35 C +ATOM 131 OG SER B 269 6.890 -7.965 13.574 1.00 38.79 O +ATOM 132 N ARG B 270 4.544 -4.743 13.550 1.00 36.58 N +ATOM 133 CA ARG B 270 4.660 -3.352 13.988 1.00 37.26 C +ATOM 134 C ARG B 270 3.694 -3.100 15.103 1.00 35.47 C +ATOM 135 O ARG B 270 3.885 -2.205 15.911 1.00 36.71 O +ATOM 136 CB ARG B 270 4.299 -2.353 12.876 1.00 43.77 C +ATOM 137 CG ARG B 270 4.947 -2.648 11.555 1.00 53.15 C +ATOM 138 CD ARG B 270 4.939 -1.490 10.560 1.00 56.84 C +ATOM 139 NE ARG B 270 6.142 -1.626 9.720 1.00 65.05 N +ATOM 140 CZ ARG B 270 7.380 -1.804 10.212 1.00 64.01 C +ATOM 141 NH1 ARG B 270 7.582 -1.862 11.523 1.00 67.14 N +ATOM 142 NH2 ARG B 270 8.423 -1.947 9.406 1.00 64.47 N +ATOM 143 N LYS B 271 2.632 -3.881 15.129 1.00 36.34 N +ATOM 144 CA LYS B 271 1.608 -3.687 16.126 1.00 35.50 C +ATOM 145 C LYS B 271 2.019 -4.296 17.464 1.00 35.87 C +ATOM 146 O LYS B 271 1.764 -3.701 18.505 1.00 33.08 O +ATOM 147 CB LYS B 271 0.291 -4.269 15.603 1.00 34.24 C +ATOM 148 CG LYS B 271 -0.955 -3.713 16.246 1.00 38.30 C +ATOM 149 CD LYS B 271 -1.329 -4.484 17.491 1.00 42.32 C +ATOM 150 CE LYS B 271 -1.805 -5.906 17.170 1.00 49.61 C +ATOM 151 NZ LYS B 271 -2.108 -6.700 18.416 1.00 45.34 N +ATOM 152 N ARG B 272 2.671 -5.460 17.448 1.00 37.42 N +ATOM 153 CA ARG B 272 3.092 -6.082 18.709 1.00 38.86 C +ATOM 154 C ARG B 272 4.191 -5.236 19.342 1.00 39.91 C +ATOM 155 O ARG B 272 4.192 -5.023 20.551 1.00 40.29 O +ATOM 156 CB ARG B 272 3.587 -7.513 18.490 1.00 42.67 C +ATOM 157 CG ARG B 272 2.495 -8.491 18.010 1.00 45.37 C +ATOM 158 CD ARG B 272 2.970 -9.948 18.024 1.00 49.20 C +ATOM 159 NE ARG B 272 2.178 -10.779 17.116 1.00 56.69 N +ATOM 160 CZ ARG B 272 2.400 -10.890 15.800 1.00 60.49 C +ATOM 161 NH1 ARG B 272 3.406 -10.233 15.217 1.00 58.86 N +ATOM 162 NH2 ARG B 272 1.591 -11.638 15.053 1.00 58.29 N +ATOM 163 N LYS B 273 5.102 -4.728 18.517 1.00 36.69 N +ATOM 164 CA LYS B 273 6.180 -3.893 19.003 1.00 39.02 C +ATOM 165 C LYS B 273 5.585 -2.665 19.672 1.00 38.44 C +ATOM 166 O LYS B 273 6.085 -2.170 20.676 1.00 33.75 O +ATOM 167 CB LYS B 273 7.078 -3.453 17.849 1.00 39.61 C +ATOM 168 CG LYS B 273 8.156 -2.463 18.270 1.00 45.90 C +ATOM 169 CD LYS B 273 9.123 -2.164 17.134 1.00 48.70 C +ATOM 170 CE LYS B 273 10.077 -1.048 17.513 1.00 54.32 C +ATOM 171 NZ LYS B 273 10.925 -0.615 16.365 1.00 58.91 N +ATOM 172 N LEU B 274 4.507 -2.172 19.096 1.00 38.02 N +ATOM 173 CA LEU B 274 3.859 -1.011 19.647 1.00 40.85 C +ATOM 174 C LEU B 274 3.311 -1.341 21.021 1.00 40.18 C +ATOM 175 O LEU B 274 3.451 -0.559 21.953 1.00 40.89 O +ATOM 176 CB LEU B 274 2.731 -0.575 18.736 1.00 44.02 C +ATOM 177 CG LEU B 274 2.606 0.926 18.504 1.00 47.15 C +ATOM 178 CD1 LEU B 274 1.872 1.552 19.674 1.00 50.86 C +ATOM 179 CD2 LEU B 274 4.001 1.537 18.296 1.00 45.94 C +ATOM 180 N GLU B 275 2.697 -2.506 21.148 1.00 38.93 N +ATOM 181 CA GLU B 275 2.127 -2.906 22.425 1.00 41.48 C +ATOM 182 C GLU B 275 3.228 -3.193 23.433 1.00 40.55 C +ATOM 183 O GLU B 275 3.086 -2.910 24.624 1.00 43.15 O +ATOM 184 CB GLU B 275 1.265 -4.152 22.262 1.00 40.65 C +ATOM 185 CG GLU B 275 0.218 -4.030 21.189 1.00 49.02 C +ATOM 186 CD GLU B 275 -0.509 -5.338 20.938 1.00 54.66 C +ATOM 187 OE1 GLU B 275 0.124 -6.415 21.067 1.00 57.08 O +ATOM 188 OE2 GLU B 275 -1.713 -5.285 20.599 1.00 55.65 O +ATOM 189 N ARG B 276 4.329 -3.754 22.956 1.00 38.83 N +ATOM 190 CA ARG B 276 5.423 -4.084 23.843 1.00 38.86 C +ATOM 191 C ARG B 276 5.953 -2.802 24.471 1.00 38.42 C +ATOM 192 O ARG B 276 6.139 -2.731 25.687 1.00 37.72 O +ATOM 193 CB ARG B 276 6.516 -4.794 23.065 1.00 41.08 C +ATOM 194 CG ARG B 276 7.719 -5.160 23.886 1.00 43.99 C +ATOM 195 CD ARG B 276 8.581 -6.135 23.110 1.00 51.95 C +ATOM 196 NE ARG B 276 9.458 -5.491 22.134 1.00 55.87 N +ATOM 197 CZ ARG B 276 10.648 -4.984 22.432 1.00 57.40 C +ATOM 198 NH1 ARG B 276 11.096 -5.046 23.682 1.00 59.58 N +ATOM 199 NH2 ARG B 276 11.395 -4.433 21.483 1.00 56.56 N +ATOM 200 N ILE B 277 6.162 -1.783 23.643 1.00 33.27 N +ATOM 201 CA ILE B 277 6.667 -0.522 24.139 1.00 33.35 C +ATOM 202 C ILE B 277 5.705 0.111 25.133 1.00 36.06 C +ATOM 203 O ILE B 277 6.132 0.632 26.157 1.00 37.41 O +ATOM 204 CB ILE B 277 6.980 0.449 22.987 1.00 28.52 C +ATOM 205 CG1 ILE B 277 8.208 -0.051 22.231 1.00 31.52 C +ATOM 206 CG2 ILE B 277 7.268 1.826 23.524 1.00 28.41 C +ATOM 207 CD1 ILE B 277 8.531 0.713 20.963 1.00 34.46 C +ATOM 208 N ALA B 278 4.405 0.050 24.862 1.00 34.86 N +ATOM 209 CA ALA B 278 3.447 0.635 25.792 1.00 31.49 C +ATOM 210 C ALA B 278 3.445 -0.165 27.097 1.00 28.70 C +ATOM 211 O ALA B 278 3.198 0.364 28.153 1.00 28.43 O +ATOM 212 CB ALA B 278 2.063 0.650 25.183 1.00 28.02 C +ATOM 213 N ARG B 279 3.711 -1.454 27.004 1.00 32.05 N +ATOM 214 CA ARG B 279 3.750 -2.298 28.179 1.00 32.67 C +ATOM 215 C ARG B 279 4.916 -1.768 29.037 1.00 31.94 C +ATOM 216 O ARG B 279 4.756 -1.474 30.221 1.00 28.96 O +ATOM 217 CB ARG B 279 3.991 -3.734 27.729 1.00 36.34 C +ATOM 218 CG ARG B 279 3.309 -4.795 28.557 1.00 41.09 C +ATOM 219 CD ARG B 279 3.407 -6.157 27.866 1.00 46.79 C +ATOM 220 NE ARG B 279 2.607 -6.209 26.640 1.00 50.72 N +ATOM 221 CZ ARG B 279 3.078 -6.500 25.427 1.00 48.00 C +ATOM 222 NH1 ARG B 279 4.361 -6.782 25.235 1.00 48.57 N +ATOM 223 NH2 ARG B 279 2.258 -6.471 24.395 1.00 45.93 N +ATOM 224 N LEU B 280 6.074 -1.609 28.401 1.00 31.71 N +ATOM 225 CA LEU B 280 7.253 -1.098 29.063 1.00 28.12 C +ATOM 226 C LEU B 280 6.986 0.223 29.748 1.00 31.47 C +ATOM 227 O LEU B 280 7.341 0.398 30.915 1.00 33.82 O +ATOM 228 CB LEU B 280 8.394 -0.886 28.078 1.00 23.23 C +ATOM 229 CG LEU B 280 9.153 -2.124 27.648 1.00 26.02 C +ATOM 230 CD1 LEU B 280 10.320 -1.738 26.711 1.00 28.32 C +ATOM 231 CD2 LEU B 280 9.665 -2.823 28.884 1.00 30.48 C +ATOM 232 N GLU B 281 6.384 1.174 29.046 1.00 28.61 N +ATOM 233 CA GLU B 281 6.155 2.456 29.684 1.00 28.45 C +ATOM 234 C GLU B 281 5.166 2.342 30.810 1.00 29.41 C +ATOM 235 O GLU B 281 5.238 3.077 31.798 1.00 25.70 O +ATOM 236 CB GLU B 281 5.672 3.477 28.682 1.00 29.27 C +ATOM 237 CG GLU B 281 6.734 3.896 27.725 1.00 37.30 C +ATOM 238 CD GLU B 281 6.138 4.546 26.503 1.00 46.13 C +ATOM 239 OE1 GLU B 281 6.907 5.001 25.623 1.00 43.71 O +ATOM 240 OE2 GLU B 281 4.886 4.593 26.431 1.00 49.49 O +ATOM 241 N GLU B 282 4.242 1.405 30.665 1.00 28.77 N +ATOM 242 CA GLU B 282 3.239 1.196 31.687 1.00 29.80 C +ATOM 243 C GLU B 282 3.872 0.531 32.915 1.00 30.64 C +ATOM 244 O GLU B 282 3.444 0.778 34.046 1.00 29.99 O +ATOM 245 CB GLU B 282 2.116 0.320 31.136 1.00 33.83 C +ATOM 246 CG GLU B 282 0.997 0.051 32.118 1.00 39.04 C +ATOM 247 CD GLU B 282 0.367 1.329 32.656 1.00 45.43 C +ATOM 248 OE1 GLU B 282 0.606 2.415 32.072 1.00 50.60 O +ATOM 249 OE2 GLU B 282 -0.374 1.243 33.657 1.00 47.92 O +ATOM 250 N LYS B 283 4.887 -0.306 32.686 1.00 28.16 N +ATOM 251 CA LYS B 283 5.577 -1.001 33.781 1.00 28.19 C +ATOM 252 C LYS B 283 6.385 0.026 34.572 1.00 27.49 C +ATOM 253 O LYS B 283 6.392 0.015 35.803 1.00 26.46 O +ATOM 254 CB LYS B 283 6.511 -2.092 33.233 1.00 25.72 C +ATOM 255 CG LYS B 283 7.219 -2.916 34.314 1.00 28.32 C +ATOM 256 CD LYS B 283 6.233 -3.750 35.125 1.00 33.87 C +ATOM 257 CE LYS B 283 6.897 -4.427 36.345 1.00 38.27 C +ATOM 258 NZ LYS B 283 6.051 -5.446 37.098 1.00 38.42 N +ATOM 259 N VAL B 284 7.056 0.919 33.848 1.00 24.80 N +ATOM 260 CA VAL B 284 7.842 1.981 34.461 1.00 26.24 C +ATOM 261 C VAL B 284 6.989 2.874 35.358 1.00 30.84 C +ATOM 262 O VAL B 284 7.388 3.239 36.471 1.00 30.03 O +ATOM 263 CB VAL B 284 8.464 2.861 33.412 1.00 21.48 C +ATOM 264 CG1 VAL B 284 8.944 4.130 34.029 1.00 20.05 C +ATOM 265 CG2 VAL B 284 9.581 2.123 32.726 1.00 21.67 C +ATOM 266 N LYS B 285 5.814 3.239 34.864 1.00 32.02 N +ATOM 267 CA LYS B 285 4.912 4.099 35.617 1.00 32.62 C +ATOM 268 C LYS B 285 4.459 3.408 36.906 1.00 29.77 C +ATOM 269 O LYS B 285 4.473 3.998 37.994 1.00 32.88 O +ATOM 270 CB LYS B 285 3.710 4.450 34.731 1.00 37.42 C +ATOM 271 CG LYS B 285 2.558 5.176 35.403 1.00 43.37 C +ATOM 272 CD LYS B 285 1.371 5.242 34.433 1.00 48.90 C +ATOM 273 CE LYS B 285 0.080 5.722 35.102 1.00 54.25 C +ATOM 274 NZ LYS B 285 -1.129 5.408 34.264 1.00 58.85 N +ATOM 275 N THR B 286 4.082 2.148 36.787 1.00 26.55 N +ATOM 276 CA THR B 286 3.605 1.382 37.927 1.00 27.03 C +ATOM 277 C THR B 286 4.708 0.998 38.944 1.00 27.16 C +ATOM 278 O THR B 286 4.456 0.874 40.137 1.00 24.27 O +ATOM 279 CB THR B 286 2.915 0.129 37.433 1.00 27.88 C +ATOM 280 OG1 THR B 286 2.538 -0.679 38.547 1.00 40.10 O +ATOM 281 CG2 THR B 286 3.845 -0.657 36.544 1.00 28.22 C +ATOM 282 N LEU B 287 5.926 0.790 38.472 1.00 24.68 N +ATOM 283 CA LEU B 287 6.995 0.458 39.377 1.00 23.89 C +ATOM 284 C LEU B 287 7.331 1.723 40.188 1.00 28.30 C +ATOM 285 O LEU B 287 7.709 1.644 41.375 1.00 29.71 O +ATOM 286 CB LEU B 287 8.200 -0.067 38.592 1.00 17.99 C +ATOM 287 CG LEU B 287 8.097 -1.548 38.162 1.00 15.08 C +ATOM 288 CD1 LEU B 287 9.179 -1.903 37.148 1.00 22.75 C +ATOM 289 CD2 LEU B 287 8.254 -2.454 39.349 1.00 19.31 C +ATOM 290 N LYS B 288 7.148 2.890 39.568 1.00 28.17 N +ATOM 291 CA LYS B 288 7.430 4.156 40.239 1.00 27.79 C +ATOM 292 C LYS B 288 6.464 4.392 41.373 1.00 28.99 C +ATOM 293 O LYS B 288 6.849 4.841 42.448 1.00 25.75 O +ATOM 294 CB LYS B 288 7.354 5.341 39.273 1.00 24.18 C +ATOM 295 CG LYS B 288 8.653 5.600 38.498 1.00 29.26 C +ATOM 296 CD LYS B 288 8.559 6.859 37.589 1.00 27.91 C +ATOM 297 CE LYS B 288 9.790 6.982 36.695 1.00 25.61 C +ATOM 298 NZ LYS B 288 9.701 8.112 35.727 1.00 38.11 N +ATOM 299 N ALA B 289 5.199 4.090 41.136 1.00 29.26 N +ATOM 300 CA ALA B 289 4.210 4.294 42.174 1.00 30.80 C +ATOM 301 C ALA B 289 4.486 3.333 43.322 1.00 28.98 C +ATOM 302 O ALA B 289 4.308 3.670 44.482 1.00 31.76 O +ATOM 303 CB ALA B 289 2.810 4.074 41.622 1.00 26.33 C +ATOM 304 N GLN B 290 4.913 2.131 42.984 1.00 29.98 N +ATOM 305 CA GLN B 290 5.211 1.137 43.994 1.00 30.23 C +ATOM 306 C GLN B 290 6.386 1.623 44.856 1.00 26.45 C +ATOM 307 O GLN B 290 6.373 1.473 46.061 1.00 24.50 O +ATOM 308 CB GLN B 290 5.548 -0.178 43.318 1.00 33.09 C +ATOM 309 CG GLN B 290 4.781 -1.367 43.856 1.00 41.56 C +ATOM 310 CD GLN B 290 5.058 -2.614 43.053 1.00 45.82 C +ATOM 311 OE1 GLN B 290 4.741 -2.688 41.865 1.00 51.37 O +ATOM 312 NE2 GLN B 290 5.669 -3.600 43.689 1.00 52.78 N +ATOM 313 N ASN B 291 7.397 2.202 44.220 1.00 24.75 N +ATOM 314 CA ASN B 291 8.524 2.744 44.940 1.00 26.39 C +ATOM 315 C ASN B 291 8.033 3.740 45.977 1.00 26.95 C +ATOM 316 O ASN B 291 8.358 3.632 47.159 1.00 27.36 O +ATOM 317 CB ASN B 291 9.461 3.478 43.993 1.00 27.94 C +ATOM 318 CG ASN B 291 10.725 2.705 43.705 1.00 33.33 C +ATOM 319 OD1 ASN B 291 10.722 1.464 43.662 1.00 30.66 O +ATOM 320 ND2 ASN B 291 11.821 3.437 43.483 1.00 37.08 N +ATOM 321 N SER B 292 7.247 4.710 45.530 1.00 23.97 N +ATOM 322 CA SER B 292 6.750 5.745 46.416 1.00 26.67 C +ATOM 323 C SER B 292 6.012 5.187 47.586 1.00 29.18 C +ATOM 324 O SER B 292 6.146 5.686 48.714 1.00 31.66 O +ATOM 325 CB SER B 292 5.849 6.715 45.671 1.00 24.00 C +ATOM 326 OG SER B 292 6.643 7.658 45.001 1.00 28.40 O +ATOM 327 N GLU B 293 5.239 4.146 47.315 1.00 29.89 N +ATOM 328 CA GLU B 293 4.476 3.489 48.353 1.00 33.88 C +ATOM 329 C GLU B 293 5.429 2.835 49.347 1.00 32.12 C +ATOM 330 O GLU B 293 5.324 3.037 50.550 1.00 31.38 O +ATOM 331 CB GLU B 293 3.553 2.440 47.745 1.00 40.65 C +ATOM 332 CG GLU B 293 2.437 2.035 48.682 1.00 51.23 C +ATOM 333 CD GLU B 293 1.884 3.230 49.465 1.00 59.31 C +ATOM 334 OE1 GLU B 293 1.574 4.274 48.835 1.00 62.09 O +ATOM 335 OE2 GLU B 293 1.762 3.120 50.711 1.00 62.36 O +ATOM 336 N LEU B 294 6.370 2.056 48.841 1.00 30.23 N +ATOM 337 CA LEU B 294 7.336 1.405 49.723 1.00 26.88 C +ATOM 338 C LEU B 294 8.153 2.450 50.488 1.00 25.97 C +ATOM 339 O LEU B 294 8.446 2.256 51.662 1.00 25.57 O +ATOM 340 CB LEU B 294 8.260 0.496 48.911 1.00 22.93 C +ATOM 341 CG LEU B 294 7.557 -0.720 48.303 1.00 24.26 C +ATOM 342 CD1 LEU B 294 8.411 -1.330 47.205 1.00 23.74 C +ATOM 343 CD2 LEU B 294 7.264 -1.735 49.388 1.00 21.65 C +ATOM 344 N ALA B 295 8.514 3.555 49.833 1.00 28.09 N +ATOM 345 CA ALA B 295 9.293 4.629 50.483 1.00 31.67 C +ATOM 346 C ALA B 295 8.515 5.261 51.641 1.00 34.27 C +ATOM 347 O ALA B 295 9.047 5.469 52.728 1.00 34.58 O +ATOM 348 CB ALA B 295 9.660 5.706 49.478 1.00 24.86 C +ATOM 349 N SER B 296 7.251 5.559 51.402 1.00 35.87 N +ATOM 350 CA SER B 296 6.435 6.160 52.429 1.00 40.46 C +ATOM 351 C SER B 296 6.171 5.146 53.547 1.00 41.81 C +ATOM 352 O SER B 296 6.214 5.492 54.735 1.00 46.23 O +ATOM 353 CB SER B 296 5.122 6.646 51.818 1.00 42.55 C +ATOM 354 OG SER B 296 4.400 5.553 51.290 1.00 42.96 O +ATOM 355 N THR B 297 5.888 3.900 53.179 1.00 39.98 N +ATOM 356 CA THR B 297 5.654 2.875 54.185 1.00 39.26 C +ATOM 357 C THR B 297 6.860 2.781 55.123 1.00 37.65 C +ATOM 358 O THR B 297 6.703 2.592 56.327 1.00 35.47 O +ATOM 359 CB THR B 297 5.419 1.512 53.553 1.00 41.16 C +ATOM 360 OG1 THR B 297 4.019 1.336 53.325 1.00 44.91 O +ATOM 361 CG2 THR B 297 5.925 0.401 54.462 1.00 41.62 C +ATOM 362 N ALA B 298 8.057 2.927 54.569 1.00 33.72 N +ATOM 363 CA ALA B 298 9.254 2.866 55.379 1.00 37.65 C +ATOM 364 C ALA B 298 9.217 3.971 56.456 1.00 40.55 C +ATOM 365 O ALA B 298 9.424 3.701 57.647 1.00 43.93 O +ATOM 366 CB ALA B 298 10.491 2.990 54.501 1.00 32.25 C +ATOM 367 N ASN B 299 8.936 5.204 56.050 1.00 40.75 N +ATOM 368 CA ASN B 299 8.862 6.312 56.997 1.00 42.91 C +ATOM 369 C ASN B 299 7.732 6.085 57.999 1.00 45.57 C +ATOM 370 O ASN B 299 7.816 6.471 59.158 1.00 43.27 O +ATOM 371 CB ASN B 299 8.661 7.601 56.234 1.00 39.36 C +ATOM 372 CG ASN B 299 9.784 7.859 55.294 1.00 40.50 C +ATOM 373 OD1 ASN B 299 10.940 7.668 55.653 1.00 45.37 O +ATOM 374 ND2 ASN B 299 9.470 8.285 54.080 1.00 37.91 N +ATOM 375 N MET B 300 6.672 5.443 57.529 1.00 50.01 N +ATOM 376 CA MET B 300 5.534 5.102 58.377 1.00 50.79 C +ATOM 377 C MET B 300 6.060 4.157 59.475 1.00 50.92 C +ATOM 378 O MET B 300 5.506 4.100 60.579 1.00 53.58 O +ATOM 379 CB MET B 300 4.480 4.367 57.539 1.00 52.87 C +ATOM 380 CG MET B 300 3.069 4.370 58.106 1.00 56.75 C +ATOM 381 SD MET B 300 2.280 6.010 58.048 1.00 57.40 S +ATOM 382 CE MET B 300 3.193 6.765 56.755 1.00 52.87 C +ATOM 383 N LEU B 301 7.123 3.413 59.149 1.00 46.44 N +ATOM 384 CA LEU B 301 7.736 2.460 60.068 1.00 42.38 C +ATOM 385 C LEU B 301 8.814 3.085 60.924 1.00 45.11 C +ATOM 386 O LEU B 301 9.017 2.651 62.056 1.00 43.30 O +ATOM 387 CB LEU B 301 8.331 1.282 59.313 1.00 32.31 C +ATOM 388 CG LEU B 301 7.275 0.255 58.973 1.00 33.73 C +ATOM 389 CD1 LEU B 301 7.833 -0.744 57.967 1.00 35.18 C +ATOM 390 CD2 LEU B 301 6.809 -0.436 60.241 1.00 32.06 C +ATOM 391 N ARG B 302 9.525 4.075 60.387 1.00 45.53 N +ATOM 392 CA ARG B 302 10.548 4.741 61.178 1.00 47.76 C +ATOM 393 C ARG B 302 9.773 5.516 62.247 1.00 52.58 C +ATOM 394 O ARG B 302 10.243 5.723 63.371 1.00 51.53 O +ATOM 395 CB ARG B 302 11.360 5.689 60.308 1.00 45.70 C +ATOM 396 CG ARG B 302 12.240 4.980 59.317 1.00 44.90 C +ATOM 397 CD ARG B 302 13.170 5.953 58.598 1.00 43.63 C +ATOM 398 NE ARG B 302 14.027 5.276 57.614 1.00 48.45 N +ATOM 399 CZ ARG B 302 13.631 4.864 56.406 1.00 46.07 C +ATOM 400 NH1 ARG B 302 12.377 5.045 55.997 1.00 45.43 N +ATOM 401 NH2 ARG B 302 14.498 4.283 55.593 1.00 41.33 N +ATOM 402 N GLU B 303 8.561 5.920 61.875 1.00 54.85 N +ATOM 403 CA GLU B 303 7.666 6.637 62.770 1.00 58.39 C +ATOM 404 C GLU B 303 7.419 5.749 63.985 1.00 58.52 C +ATOM 405 O GLU B 303 7.678 6.131 65.121 1.00 56.07 O +ATOM 406 CB GLU B 303 6.335 6.914 62.058 1.00 60.34 C +ATOM 407 CG GLU B 303 5.304 7.659 62.903 1.00 63.06 C +ATOM 408 CD GLU B 303 5.749 9.071 63.267 1.00 63.32 C +ATOM 409 OE1 GLU B 303 5.066 9.720 64.090 1.00 61.73 O +ATOM 410 OE2 GLU B 303 6.778 9.534 62.724 1.00 65.11 O +ATOM 411 N GLN B 304 6.920 4.550 63.716 1.00 60.79 N +ATOM 412 CA GLN B 304 6.628 3.571 64.751 1.00 62.41 C +ATOM 413 C GLN B 304 7.897 3.219 65.534 1.00 62.83 C +ATOM 414 O GLN B 304 7.821 2.818 66.694 1.00 62.19 O +ATOM 415 CB GLN B 304 6.057 2.305 64.111 1.00 62.87 C +ATOM 416 CG GLN B 304 4.947 1.637 64.896 1.00 67.76 C +ATOM 417 CD GLN B 304 4.693 0.204 64.440 1.00 71.63 C +ATOM 418 OE1 GLN B 304 4.663 -0.089 63.239 1.00 71.06 O +ATOM 419 NE2 GLN B 304 4.501 -0.697 65.403 1.00 72.76 N +ATOM 420 N VAL B 305 9.059 3.366 64.897 1.00 63.75 N +ATOM 421 CA VAL B 305 10.331 3.048 65.543 1.00 65.15 C +ATOM 422 C VAL B 305 10.763 4.207 66.439 1.00 68.68 C +ATOM 423 O VAL B 305 11.569 4.027 67.356 1.00 70.81 O +ATOM 424 CB VAL B 305 11.452 2.733 64.497 1.00 62.01 C +ATOM 425 CG1 VAL B 305 12.381 3.919 64.324 1.00 58.59 C +ATOM 426 CG2 VAL B 305 12.229 1.507 64.922 1.00 57.05 C +ATOM 427 N ALA B 306 10.221 5.392 66.170 1.00 70.54 N +ATOM 428 CA ALA B 306 10.535 6.578 66.966 1.00 71.91 C +ATOM 429 C ALA B 306 9.605 6.629 68.179 1.00 72.34 C +ATOM 430 O ALA B 306 9.958 7.169 69.231 1.00 72.12 O +ATOM 431 CB ALA B 306 10.373 7.840 66.121 1.00 71.31 C +ATOM 432 N GLN B 307 8.411 6.067 68.019 1.00 72.52 N +ATOM 433 CA GLN B 307 7.437 6.033 69.100 1.00 72.88 C +ATOM 434 C GLN B 307 7.955 5.057 70.144 1.00 72.93 C +ATOM 435 O GLN B 307 8.007 5.369 71.327 1.00 74.24 O +ATOM 436 CB GLN B 307 6.070 5.539 68.607 1.00 74.48 C +ATOM 437 CG GLN B 307 5.489 6.246 67.386 1.00 74.49 C +ATOM 438 CD GLN B 307 4.078 5.768 67.063 1.00 74.18 C +ATOM 439 OE1 GLN B 307 3.730 4.613 67.322 1.00 73.53 O +ATOM 440 NE2 GLN B 307 3.265 6.651 66.484 1.00 74.30 N +ATOM 441 N LEU B 308 8.331 3.866 69.695 1.00 72.43 N +ATOM 442 CA LEU B 308 8.838 2.842 70.592 1.00 73.89 C +ATOM 443 C LEU B 308 10.204 3.255 71.120 1.00 76.83 C +ATOM 444 O LEU B 308 10.728 2.653 72.062 1.00 78.24 O +ATOM 445 CB LEU B 308 8.962 1.510 69.854 1.00 70.42 C +ATOM 446 CG LEU B 308 7.686 0.904 69.268 1.00 69.64 C +ATOM 447 CD1 LEU B 308 8.045 -0.321 68.428 1.00 66.15 C +ATOM 448 CD2 LEU B 308 6.724 0.536 70.389 1.00 64.37 C +ATOM 449 N LYS B 309 10.767 4.296 70.512 1.00 78.76 N +ATOM 450 CA LYS B 309 12.093 4.796 70.871 1.00 79.62 C +ATOM 451 C LYS B 309 12.328 5.161 72.351 1.00 80.00 C +ATOM 452 O LYS B 309 13.477 5.180 72.802 1.00 80.00 O +ATOM 453 CB LYS B 309 12.431 5.999 69.992 1.00 80.00 C +ATOM 454 CG LYS B 309 13.908 6.339 69.910 1.00 80.00 C +ATOM 455 CD LYS B 309 14.664 5.396 68.985 1.00 80.00 C +ATOM 456 CE LYS B 309 16.046 5.965 68.655 1.00 80.00 C +ATOM 457 NZ LYS B 309 16.818 5.113 67.701 1.00 80.00 N +ATOM 458 N GLN B 310 11.270 5.450 73.109 1.00 80.00 N +ATOM 459 CA GLN B 310 11.448 5.805 74.519 1.00 80.00 C +ATOM 460 C GLN B 310 10.741 4.897 75.521 1.00 80.00 C +ATOM 461 O GLN B 310 9.845 4.114 75.123 1.00 79.24 O +ATOM 462 CB GLN B 310 11.010 7.252 74.766 1.00 80.00 C +ATOM 463 CG GLN B 310 12.023 8.298 74.318 1.00 80.00 C +ATOM 464 CD GLN B 310 11.520 9.152 73.165 1.00 80.00 C +ATOM 465 OE1 GLN B 310 10.429 9.727 73.232 1.00 80.00 O +ATOM 466 NE2 GLN B 310 12.318 9.248 72.106 1.00 78.64 N +TER 467 GLN B 310 +END diff --git a/bench/main_benchmark/structures/SFB_ID_CJUN_1JNMB_1JNMB/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_CJUN_1JNMB_1JNMB/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2bc7d6eea2f228336c025586e090945d5dd5ed8d --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_CJUN_1JNMB_1JNMB/state_b.pdb @@ -0,0 +1,468 @@ +ATOM 1 N LYS B 254 3.143 -18.753 -4.963 1.00 59.38 N +ATOM 2 CA LYS B 254 3.303 -17.619 -5.919 1.00 61.85 C +ATOM 3 C LYS B 254 3.925 -16.408 -5.224 1.00 62.74 C +ATOM 4 O LYS B 254 3.487 -15.997 -4.146 1.00 62.95 O +ATOM 5 CB LYS B 254 1.950 -17.239 -6.511 1.00 63.47 C +ATOM 6 CG LYS B 254 2.017 -16.160 -7.562 1.00 65.74 C +ATOM 7 CD LYS B 254 0.651 -15.941 -8.164 1.00 66.15 C +ATOM 8 CE LYS B 254 0.686 -14.842 -9.193 1.00 67.43 C +ATOM 9 NZ LYS B 254 -0.634 -14.714 -9.869 1.00 69.31 N +ATOM 10 N ALA B 255 4.951 -15.842 -5.854 1.00 62.63 N +ATOM 11 CA ALA B 255 5.671 -14.699 -5.304 1.00 59.89 C +ATOM 12 C ALA B 255 4.750 -13.556 -4.943 1.00 56.64 C +ATOM 13 O ALA B 255 4.723 -13.117 -3.801 1.00 59.14 O +ATOM 14 CB ALA B 255 6.727 -14.224 -6.290 1.00 60.42 C +ATOM 15 N GLU B 256 4.005 -13.071 -5.923 1.00 54.15 N +ATOM 16 CA GLU B 256 3.077 -11.971 -5.714 1.00 52.87 C +ATOM 17 C GLU B 256 2.296 -12.123 -4.398 1.00 50.75 C +ATOM 18 O GLU B 256 2.211 -11.193 -3.604 1.00 47.64 O +ATOM 19 CB GLU B 256 2.098 -11.913 -6.879 1.00 56.84 C +ATOM 20 CG GLU B 256 1.223 -10.699 -6.858 1.00 65.37 C +ATOM 21 CD GLU B 256 1.925 -9.486 -7.424 1.00 71.52 C +ATOM 22 OE1 GLU B 256 2.146 -9.455 -8.659 1.00 75.20 O +ATOM 23 OE2 GLU B 256 2.261 -8.569 -6.640 1.00 74.49 O +ATOM 24 N ARG B 257 1.732 -13.308 -4.173 1.00 48.89 N +ATOM 25 CA ARG B 257 0.954 -13.568 -2.969 1.00 46.54 C +ATOM 26 C ARG B 257 1.794 -13.656 -1.693 1.00 45.47 C +ATOM 27 O ARG B 257 1.335 -13.289 -0.607 1.00 41.91 O +ATOM 28 CB ARG B 257 0.131 -14.839 -3.153 1.00 47.53 C +ATOM 29 CG ARG B 257 -1.260 -14.597 -3.763 1.00 47.83 C +ATOM 30 CD ARG B 257 -2.170 -13.883 -2.779 1.00 47.26 C +ATOM 31 NE ARG B 257 -3.586 -14.134 -3.037 1.00 48.99 N +ATOM 32 CZ ARG B 257 -4.279 -13.608 -4.039 1.00 51.03 C +ATOM 33 NH1 ARG B 257 -3.696 -12.789 -4.901 1.00 51.17 N +ATOM 34 NH2 ARG B 257 -5.562 -13.905 -4.180 1.00 54.57 N +ATOM 35 N LYS B 258 3.018 -14.152 -1.825 1.00 43.55 N +ATOM 36 CA LYS B 258 3.916 -14.240 -0.687 1.00 42.14 C +ATOM 37 C LYS B 258 4.061 -12.811 -0.141 1.00 38.27 C +ATOM 38 O LYS B 258 3.751 -12.551 1.019 1.00 39.08 O +ATOM 39 CB LYS B 258 5.266 -14.792 -1.141 1.00 44.12 C +ATOM 40 CG LYS B 258 6.119 -15.365 -0.025 1.00 47.84 C +ATOM 41 CD LYS B 258 7.503 -15.745 -0.537 1.00 52.15 C +ATOM 42 CE LYS B 258 8.529 -15.790 0.594 1.00 55.95 C +ATOM 43 NZ LYS B 258 9.939 -15.806 0.077 1.00 58.84 N +ATOM 44 N ARG B 259 4.478 -11.877 -0.987 1.00 35.57 N +ATOM 45 CA ARG B 259 4.637 -10.496 -0.550 1.00 36.43 C +ATOM 46 C ARG B 259 3.385 -9.950 0.074 1.00 36.80 C +ATOM 47 O ARG B 259 3.448 -9.147 0.999 1.00 35.96 O +ATOM 48 CB ARG B 259 5.007 -9.574 -1.702 1.00 39.93 C +ATOM 49 CG ARG B 259 6.436 -9.663 -2.158 1.00 40.59 C +ATOM 50 CD ARG B 259 6.782 -8.401 -2.915 1.00 45.00 C +ATOM 51 NE ARG B 259 5.786 -8.071 -3.934 1.00 46.29 N +ATOM 52 CZ ARG B 259 5.623 -8.735 -5.077 1.00 47.76 C +ATOM 53 NH1 ARG B 259 6.394 -9.778 -5.362 1.00 44.79 N +ATOM 54 NH2 ARG B 259 4.688 -8.348 -5.939 1.00 47.08 N +ATOM 55 N MET B 260 2.238 -10.364 -0.449 1.00 38.18 N +ATOM 56 CA MET B 260 0.967 -9.889 0.088 1.00 38.29 C +ATOM 57 C MET B 260 0.799 -10.321 1.543 1.00 37.41 C +ATOM 58 O MET B 260 0.415 -9.526 2.398 1.00 34.74 O +ATOM 59 CB MET B 260 -0.173 -10.421 -0.764 1.00 42.16 C +ATOM 60 CG MET B 260 -0.107 -9.897 -2.186 1.00 51.11 C +ATOM 61 SD MET B 260 -1.086 -10.827 -3.380 1.00 59.56 S +ATOM 62 CE MET B 260 -1.104 -9.662 -4.800 1.00 58.72 C +ATOM 63 N ARG B 261 1.103 -11.582 1.825 1.00 34.05 N +ATOM 64 CA ARG B 261 0.978 -12.073 3.180 1.00 35.06 C +ATOM 65 C ARG B 261 1.995 -11.361 4.090 1.00 32.86 C +ATOM 66 O ARG B 261 1.690 -11.015 5.223 1.00 27.83 O +ATOM 67 CB ARG B 261 1.187 -13.592 3.206 1.00 33.19 C +ATOM 68 CG ARG B 261 0.044 -14.395 2.590 1.00 37.92 C +ATOM 69 CD ARG B 261 0.174 -15.887 2.901 1.00 35.58 C +ATOM 70 NE ARG B 261 1.532 -16.380 2.678 1.00 41.68 N +ATOM 71 CZ ARG B 261 1.989 -16.863 1.529 1.00 39.74 C +ATOM 72 NH1 ARG B 261 1.197 -16.937 0.473 1.00 42.50 N +ATOM 73 NH2 ARG B 261 3.247 -17.262 1.434 1.00 40.17 N +ATOM 74 N ASN B 262 3.194 -11.132 3.567 1.00 32.18 N +ATOM 75 CA ASN B 262 4.229 -10.475 4.330 1.00 34.77 C +ATOM 76 C ASN B 262 3.801 -9.060 4.691 1.00 36.23 C +ATOM 77 O ASN B 262 4.061 -8.594 5.796 1.00 34.90 O +ATOM 78 CB ASN B 262 5.534 -10.430 3.542 1.00 37.58 C +ATOM 79 CG ASN B 262 6.737 -10.089 4.426 1.00 40.39 C +ATOM 80 OD1 ASN B 262 7.478 -9.132 4.155 1.00 34.33 O +ATOM 81 ND2 ASN B 262 6.936 -10.881 5.483 1.00 34.46 N +ATOM 82 N ARG B 263 3.146 -8.364 3.770 1.00 34.44 N +ATOM 83 CA ARG B 263 2.712 -7.027 4.098 1.00 33.17 C +ATOM 84 C ARG B 263 1.851 -7.128 5.351 1.00 32.31 C +ATOM 85 O ARG B 263 1.987 -6.335 6.280 1.00 35.14 O +ATOM 86 CB ARG B 263 1.901 -6.405 2.964 1.00 36.83 C +ATOM 87 CG ARG B 263 1.432 -5.001 3.319 1.00 37.54 C +ATOM 88 CD ARG B 263 0.330 -4.500 2.421 1.00 41.43 C +ATOM 89 NE ARG B 263 0.740 -4.490 1.032 1.00 43.96 N +ATOM 90 CZ ARG B 263 0.020 -3.956 0.058 1.00 47.07 C +ATOM 91 NH1 ARG B 263 -1.145 -3.391 0.336 1.00 44.40 N +ATOM 92 NH2 ARG B 263 0.474 -3.981 -1.189 1.00 49.70 N +ATOM 93 N ILE B 264 0.961 -8.107 5.383 1.00 29.00 N +ATOM 94 CA ILE B 264 0.117 -8.288 6.550 1.00 30.97 C +ATOM 95 C ILE B 264 0.947 -8.667 7.793 1.00 28.98 C +ATOM 96 O ILE B 264 0.725 -8.146 8.876 1.00 29.15 O +ATOM 97 CB ILE B 264 -0.950 -9.371 6.295 1.00 29.27 C +ATOM 98 CG1 ILE B 264 -2.123 -8.741 5.547 1.00 34.17 C +ATOM 99 CG2 ILE B 264 -1.433 -9.994 7.616 1.00 25.02 C +ATOM 100 CD1 ILE B 264 -3.253 -9.716 5.273 1.00 33.42 C +ATOM 101 N ALA B 265 1.888 -9.583 7.627 1.00 28.66 N +ATOM 102 CA ALA B 265 2.715 -10.001 8.747 1.00 28.98 C +ATOM 103 C ALA B 265 3.373 -8.756 9.345 1.00 31.12 C +ATOM 104 O ALA B 265 3.328 -8.545 10.554 1.00 32.66 O +ATOM 105 CB ALA B 265 3.763 -10.987 8.278 1.00 20.11 C +ATOM 106 N ALA B 266 3.951 -7.921 8.483 1.00 31.70 N +ATOM 107 CA ALA B 266 4.618 -6.707 8.928 1.00 33.88 C +ATOM 108 C ALA B 266 3.685 -5.830 9.725 1.00 35.07 C +ATOM 109 O ALA B 266 4.091 -5.202 10.689 1.00 33.93 O +ATOM 110 CB ALA B 266 5.168 -5.925 7.743 1.00 27.91 C +ATOM 111 N SER B 267 2.424 -5.780 9.332 1.00 36.04 N +ATOM 112 CA SER B 267 1.501 -4.938 10.065 1.00 34.01 C +ATOM 113 C SER B 267 1.261 -5.435 11.504 1.00 31.96 C +ATOM 114 O SER B 267 1.171 -4.622 12.419 1.00 28.68 O +ATOM 115 CB SER B 267 0.184 -4.816 9.302 1.00 28.34 C +ATOM 116 OG SER B 267 -0.719 -3.963 9.985 1.00 32.20 O +ATOM 117 N LYS B 268 1.146 -6.746 11.707 1.00 31.30 N +ATOM 118 CA LYS B 268 0.925 -7.277 13.059 1.00 36.66 C +ATOM 119 C LYS B 268 2.194 -7.097 13.882 1.00 37.37 C +ATOM 120 O LYS B 268 2.153 -6.753 15.057 1.00 38.37 O +ATOM 121 CB LYS B 268 0.558 -8.767 13.026 1.00 37.77 C +ATOM 122 CG LYS B 268 -0.796 -9.056 12.372 1.00 42.19 C +ATOM 123 CD LYS B 268 -1.051 -10.553 12.265 1.00 39.76 C +ATOM 124 CE LYS B 268 -2.219 -10.848 11.345 1.00 39.23 C +ATOM 125 NZ LYS B 268 -2.336 -12.307 11.063 1.00 36.97 N +ATOM 126 N SER B 269 3.327 -7.327 13.236 1.00 37.61 N +ATOM 127 CA SER B 269 4.610 -7.186 13.883 1.00 38.28 C +ATOM 128 C SER B 269 4.768 -5.749 14.399 1.00 38.74 C +ATOM 129 O SER B 269 5.065 -5.557 15.571 1.00 40.00 O +ATOM 130 CB SER B 269 5.718 -7.552 12.897 1.00 37.35 C +ATOM 131 OG SER B 269 6.890 -7.965 13.574 1.00 38.79 O +ATOM 132 N ARG B 270 4.544 -4.743 13.550 1.00 36.58 N +ATOM 133 CA ARG B 270 4.660 -3.352 13.988 1.00 37.26 C +ATOM 134 C ARG B 270 3.694 -3.100 15.103 1.00 35.47 C +ATOM 135 O ARG B 270 3.885 -2.205 15.911 1.00 36.71 O +ATOM 136 CB ARG B 270 4.299 -2.353 12.876 1.00 43.77 C +ATOM 137 CG ARG B 270 4.947 -2.648 11.555 1.00 53.15 C +ATOM 138 CD ARG B 270 4.939 -1.490 10.560 1.00 56.84 C +ATOM 139 NE ARG B 270 6.142 -1.626 9.720 1.00 65.05 N +ATOM 140 CZ ARG B 270 7.380 -1.804 10.212 1.00 64.01 C +ATOM 141 NH1 ARG B 270 7.582 -1.862 11.523 1.00 67.14 N +ATOM 142 NH2 ARG B 270 8.423 -1.947 9.406 1.00 64.47 N +ATOM 143 N LYS B 271 2.632 -3.881 15.129 1.00 36.34 N +ATOM 144 CA LYS B 271 1.608 -3.687 16.126 1.00 35.50 C +ATOM 145 C LYS B 271 2.019 -4.296 17.464 1.00 35.87 C +ATOM 146 O LYS B 271 1.764 -3.701 18.505 1.00 33.08 O +ATOM 147 CB LYS B 271 0.291 -4.269 15.603 1.00 34.24 C +ATOM 148 CG LYS B 271 -0.955 -3.713 16.246 1.00 38.30 C +ATOM 149 CD LYS B 271 -1.329 -4.484 17.491 1.00 42.32 C +ATOM 150 CE LYS B 271 -1.805 -5.906 17.170 1.00 49.61 C +ATOM 151 NZ LYS B 271 -2.108 -6.700 18.416 1.00 45.34 N +ATOM 152 N ARG B 272 2.671 -5.460 17.448 1.00 37.42 N +ATOM 153 CA ARG B 272 3.092 -6.082 18.709 1.00 38.86 C +ATOM 154 C ARG B 272 4.191 -5.236 19.342 1.00 39.91 C +ATOM 155 O ARG B 272 4.192 -5.023 20.551 1.00 40.29 O +ATOM 156 CB ARG B 272 3.587 -7.513 18.490 1.00 42.67 C +ATOM 157 CG ARG B 272 2.495 -8.491 18.010 1.00 45.37 C +ATOM 158 CD ARG B 272 2.970 -9.948 18.024 1.00 49.20 C +ATOM 159 NE ARG B 272 2.178 -10.779 17.116 1.00 56.69 N +ATOM 160 CZ ARG B 272 2.400 -10.890 15.800 1.00 60.49 C +ATOM 161 NH1 ARG B 272 3.406 -10.233 15.217 1.00 58.86 N +ATOM 162 NH2 ARG B 272 1.591 -11.638 15.053 1.00 58.29 N +ATOM 163 N LYS B 273 5.102 -4.728 18.517 1.00 36.69 N +ATOM 164 CA LYS B 273 6.180 -3.893 19.003 1.00 39.02 C +ATOM 165 C LYS B 273 5.585 -2.665 19.672 1.00 38.44 C +ATOM 166 O LYS B 273 6.085 -2.170 20.676 1.00 33.75 O +ATOM 167 CB LYS B 273 7.078 -3.453 17.849 1.00 39.61 C +ATOM 168 CG LYS B 273 8.156 -2.463 18.270 1.00 45.90 C +ATOM 169 CD LYS B 273 9.123 -2.164 17.134 1.00 48.70 C +ATOM 170 CE LYS B 273 10.077 -1.048 17.513 1.00 54.32 C +ATOM 171 NZ LYS B 273 10.925 -0.615 16.365 1.00 58.91 N +ATOM 172 N LEU B 274 4.507 -2.172 19.096 1.00 38.02 N +ATOM 173 CA LEU B 274 3.859 -1.011 19.647 1.00 40.85 C +ATOM 174 C LEU B 274 3.311 -1.341 21.021 1.00 40.18 C +ATOM 175 O LEU B 274 3.451 -0.559 21.953 1.00 40.89 O +ATOM 176 CB LEU B 274 2.731 -0.575 18.736 1.00 44.02 C +ATOM 177 CG LEU B 274 2.606 0.926 18.504 1.00 47.15 C +ATOM 178 CD1 LEU B 274 1.872 1.552 19.674 1.00 50.86 C +ATOM 179 CD2 LEU B 274 4.001 1.537 18.296 1.00 45.94 C +ATOM 180 N GLU B 275 2.697 -2.506 21.148 1.00 38.93 N +ATOM 181 CA GLU B 275 2.127 -2.906 22.425 1.00 41.48 C +ATOM 182 C GLU B 275 3.228 -3.193 23.433 1.00 40.55 C +ATOM 183 O GLU B 275 3.086 -2.910 24.624 1.00 43.15 O +ATOM 184 CB GLU B 275 1.265 -4.152 22.262 1.00 40.65 C +ATOM 185 CG GLU B 275 0.218 -4.030 21.189 1.00 49.02 C +ATOM 186 CD GLU B 275 -0.509 -5.338 20.938 1.00 54.66 C +ATOM 187 OE1 GLU B 275 0.124 -6.415 21.067 1.00 57.08 O +ATOM 188 OE2 GLU B 275 -1.713 -5.285 20.599 1.00 55.65 O +ATOM 189 N ARG B 276 4.329 -3.754 22.956 1.00 38.83 N +ATOM 190 CA ARG B 276 5.423 -4.084 23.843 1.00 38.86 C +ATOM 191 C ARG B 276 5.953 -2.802 24.471 1.00 38.42 C +ATOM 192 O ARG B 276 6.139 -2.731 25.687 1.00 37.72 O +ATOM 193 CB ARG B 276 6.516 -4.794 23.065 1.00 41.08 C +ATOM 194 CG ARG B 276 7.719 -5.160 23.886 1.00 43.99 C +ATOM 195 CD ARG B 276 8.581 -6.135 23.110 1.00 51.95 C +ATOM 196 NE ARG B 276 9.458 -5.491 22.134 1.00 55.87 N +ATOM 197 CZ ARG B 276 10.648 -4.984 22.432 1.00 57.40 C +ATOM 198 NH1 ARG B 276 11.096 -5.046 23.682 1.00 59.58 N +ATOM 199 NH2 ARG B 276 11.395 -4.433 21.483 1.00 56.56 N +ATOM 200 N ILE B 277 6.162 -1.783 23.643 1.00 33.27 N +ATOM 201 CA ILE B 277 6.667 -0.522 24.139 1.00 33.35 C +ATOM 202 C ILE B 277 5.705 0.111 25.133 1.00 36.06 C +ATOM 203 O ILE B 277 6.132 0.632 26.157 1.00 37.41 O +ATOM 204 CB ILE B 277 6.980 0.449 22.987 1.00 28.52 C +ATOM 205 CG1 ILE B 277 8.208 -0.051 22.231 1.00 31.52 C +ATOM 206 CG2 ILE B 277 7.268 1.826 23.524 1.00 28.41 C +ATOM 207 CD1 ILE B 277 8.531 0.713 20.963 1.00 34.46 C +ATOM 208 N ALA B 278 4.405 0.050 24.862 1.00 34.86 N +ATOM 209 CA ALA B 278 3.447 0.635 25.792 1.00 31.49 C +ATOM 210 C ALA B 278 3.445 -0.165 27.097 1.00 28.70 C +ATOM 211 O ALA B 278 3.198 0.364 28.153 1.00 28.43 O +ATOM 212 CB ALA B 278 2.063 0.650 25.183 1.00 28.02 C +ATOM 213 N ARG B 279 3.711 -1.454 27.004 1.00 32.05 N +ATOM 214 CA ARG B 279 3.750 -2.298 28.179 1.00 32.67 C +ATOM 215 C ARG B 279 4.916 -1.768 29.037 1.00 31.94 C +ATOM 216 O ARG B 279 4.756 -1.474 30.221 1.00 28.96 O +ATOM 217 CB ARG B 279 3.991 -3.734 27.729 1.00 36.34 C +ATOM 218 CG ARG B 279 3.309 -4.795 28.557 1.00 41.09 C +ATOM 219 CD ARG B 279 3.407 -6.157 27.866 1.00 46.79 C +ATOM 220 NE ARG B 279 2.607 -6.209 26.640 1.00 50.72 N +ATOM 221 CZ ARG B 279 3.078 -6.500 25.427 1.00 48.00 C +ATOM 222 NH1 ARG B 279 4.361 -6.782 25.235 1.00 48.57 N +ATOM 223 NH2 ARG B 279 2.258 -6.471 24.395 1.00 45.93 N +ATOM 224 N LEU B 280 6.074 -1.609 28.401 1.00 31.71 N +ATOM 225 CA LEU B 280 7.253 -1.098 29.063 1.00 28.12 C +ATOM 226 C LEU B 280 6.986 0.223 29.748 1.00 31.47 C +ATOM 227 O LEU B 280 7.341 0.398 30.915 1.00 33.82 O +ATOM 228 CB LEU B 280 8.394 -0.886 28.078 1.00 23.23 C +ATOM 229 CG LEU B 280 9.153 -2.124 27.648 1.00 26.02 C +ATOM 230 CD1 LEU B 280 10.320 -1.738 26.711 1.00 28.32 C +ATOM 231 CD2 LEU B 280 9.665 -2.823 28.884 1.00 30.48 C +ATOM 232 N GLU B 281 6.384 1.174 29.046 1.00 28.61 N +ATOM 233 CA GLU B 281 6.155 2.456 29.684 1.00 28.45 C +ATOM 234 C GLU B 281 5.166 2.342 30.810 1.00 29.41 C +ATOM 235 O GLU B 281 5.238 3.077 31.798 1.00 25.70 O +ATOM 236 CB GLU B 281 5.672 3.477 28.682 1.00 29.27 C +ATOM 237 CG GLU B 281 6.734 3.896 27.725 1.00 37.30 C +ATOM 238 CD GLU B 281 6.138 4.546 26.503 1.00 46.13 C +ATOM 239 OE1 GLU B 281 6.907 5.001 25.623 1.00 43.71 O +ATOM 240 OE2 GLU B 281 4.886 4.593 26.431 1.00 49.49 O +ATOM 241 N GLU B 282 4.242 1.405 30.665 1.00 28.77 N +ATOM 242 CA GLU B 282 3.239 1.196 31.687 1.00 29.80 C +ATOM 243 C GLU B 282 3.872 0.531 32.915 1.00 30.64 C +ATOM 244 O GLU B 282 3.444 0.778 34.046 1.00 29.99 O +ATOM 245 CB GLU B 282 2.116 0.320 31.136 1.00 33.83 C +ATOM 246 CG GLU B 282 0.997 0.051 32.118 1.00 39.04 C +ATOM 247 CD GLU B 282 0.367 1.329 32.656 1.00 45.43 C +ATOM 248 OE1 GLU B 282 0.606 2.415 32.072 1.00 50.60 O +ATOM 249 OE2 GLU B 282 -0.374 1.243 33.657 1.00 47.92 O +ATOM 250 N LYS B 283 4.887 -0.306 32.686 1.00 28.16 N +ATOM 251 CA LYS B 283 5.577 -1.001 33.781 1.00 28.19 C +ATOM 252 C LYS B 283 6.385 0.026 34.572 1.00 27.49 C +ATOM 253 O LYS B 283 6.392 0.015 35.803 1.00 26.46 O +ATOM 254 CB LYS B 283 6.511 -2.092 33.233 1.00 25.72 C +ATOM 255 CG LYS B 283 7.219 -2.916 34.314 1.00 28.32 C +ATOM 256 CD LYS B 283 6.233 -3.750 35.125 1.00 33.87 C +ATOM 257 CE LYS B 283 6.897 -4.427 36.345 1.00 38.27 C +ATOM 258 NZ LYS B 283 6.051 -5.446 37.098 1.00 38.42 N +ATOM 259 N VAL B 284 7.056 0.919 33.848 1.00 24.80 N +ATOM 260 CA VAL B 284 7.842 1.981 34.461 1.00 26.24 C +ATOM 261 C VAL B 284 6.989 2.874 35.358 1.00 30.84 C +ATOM 262 O VAL B 284 7.388 3.239 36.471 1.00 30.03 O +ATOM 263 CB VAL B 284 8.464 2.861 33.412 1.00 21.48 C +ATOM 264 CG1 VAL B 284 8.944 4.130 34.029 1.00 20.05 C +ATOM 265 CG2 VAL B 284 9.581 2.123 32.726 1.00 21.67 C +ATOM 266 N LYS B 285 5.814 3.239 34.864 1.00 32.02 N +ATOM 267 CA LYS B 285 4.912 4.099 35.617 1.00 32.62 C +ATOM 268 C LYS B 285 4.459 3.408 36.906 1.00 29.77 C +ATOM 269 O LYS B 285 4.473 3.998 37.994 1.00 32.88 O +ATOM 270 CB LYS B 285 3.710 4.450 34.731 1.00 37.42 C +ATOM 271 CG LYS B 285 2.558 5.176 35.403 1.00 43.37 C +ATOM 272 CD LYS B 285 1.371 5.242 34.433 1.00 48.90 C +ATOM 273 CE LYS B 285 0.080 5.722 35.102 1.00 54.25 C +ATOM 274 NZ LYS B 285 -1.129 5.408 34.264 1.00 58.85 N +ATOM 275 N THR B 286 4.082 2.148 36.787 1.00 26.55 N +ATOM 276 CA THR B 286 3.605 1.382 37.927 1.00 27.03 C +ATOM 277 C THR B 286 4.708 0.998 38.944 1.00 27.16 C +ATOM 278 O THR B 286 4.456 0.874 40.137 1.00 24.27 O +ATOM 279 CB THR B 286 2.915 0.129 37.433 1.00 27.88 C +ATOM 280 OG1 THR B 286 2.538 -0.679 38.547 1.00 40.10 O +ATOM 281 CG2 THR B 286 3.845 -0.657 36.544 1.00 28.22 C +ATOM 282 N LEU B 287 5.926 0.790 38.472 1.00 24.68 N +ATOM 283 CA LEU B 287 6.995 0.458 39.377 1.00 23.89 C +ATOM 284 C LEU B 287 7.331 1.723 40.188 1.00 28.30 C +ATOM 285 O LEU B 287 7.709 1.644 41.375 1.00 29.71 O +ATOM 286 CB LEU B 287 8.200 -0.067 38.592 1.00 17.99 C +ATOM 287 CG LEU B 287 8.097 -1.548 38.162 1.00 15.08 C +ATOM 288 CD1 LEU B 287 9.179 -1.903 37.148 1.00 22.75 C +ATOM 289 CD2 LEU B 287 8.254 -2.454 39.349 1.00 19.31 C +ATOM 290 N LYS B 288 7.148 2.890 39.568 1.00 28.17 N +ATOM 291 CA LYS B 288 7.430 4.156 40.239 1.00 27.79 C +ATOM 292 C LYS B 288 6.464 4.392 41.373 1.00 28.99 C +ATOM 293 O LYS B 288 6.849 4.841 42.448 1.00 25.75 O +ATOM 294 CB LYS B 288 7.354 5.341 39.273 1.00 24.18 C +ATOM 295 CG LYS B 288 8.653 5.600 38.498 1.00 29.26 C +ATOM 296 CD LYS B 288 8.559 6.859 37.589 1.00 27.91 C +ATOM 297 CE LYS B 288 9.790 6.982 36.695 1.00 25.61 C +ATOM 298 NZ LYS B 288 9.701 8.112 35.727 1.00 38.11 N +ATOM 299 N ALA B 289 5.199 4.090 41.136 1.00 29.26 N +ATOM 300 CA ALA B 289 4.210 4.294 42.174 1.00 30.80 C +ATOM 301 C ALA B 289 4.486 3.333 43.322 1.00 28.98 C +ATOM 302 O ALA B 289 4.308 3.670 44.482 1.00 31.76 O +ATOM 303 CB ALA B 289 2.810 4.074 41.622 1.00 26.33 C +ATOM 304 N GLN B 290 4.913 2.131 42.984 1.00 29.98 N +ATOM 305 CA GLN B 290 5.211 1.137 43.994 1.00 30.23 C +ATOM 306 C GLN B 290 6.386 1.623 44.856 1.00 26.45 C +ATOM 307 O GLN B 290 6.373 1.473 46.061 1.00 24.50 O +ATOM 308 CB GLN B 290 5.548 -0.178 43.318 1.00 33.09 C +ATOM 309 CG GLN B 290 4.781 -1.367 43.856 1.00 41.56 C +ATOM 310 CD GLN B 290 5.058 -2.614 43.053 1.00 45.82 C +ATOM 311 OE1 GLN B 290 4.741 -2.688 41.865 1.00 51.37 O +ATOM 312 NE2 GLN B 290 5.669 -3.600 43.689 1.00 52.78 N +ATOM 313 N ASN B 291 7.397 2.202 44.220 1.00 24.75 N +ATOM 314 CA ASN B 291 8.524 2.744 44.940 1.00 26.39 C +ATOM 315 C ASN B 291 8.033 3.740 45.977 1.00 26.95 C +ATOM 316 O ASN B 291 8.358 3.632 47.159 1.00 27.36 O +ATOM 317 CB ASN B 291 9.461 3.478 43.993 1.00 27.94 C +ATOM 318 CG ASN B 291 10.725 2.705 43.705 1.00 33.33 C +ATOM 319 OD1 ASN B 291 10.722 1.464 43.662 1.00 30.66 O +ATOM 320 ND2 ASN B 291 11.821 3.437 43.483 1.00 37.08 N +ATOM 321 N SER B 292 7.247 4.710 45.530 1.00 23.97 N +ATOM 322 CA SER B 292 6.750 5.745 46.416 1.00 26.67 C +ATOM 323 C SER B 292 6.012 5.187 47.586 1.00 29.18 C +ATOM 324 O SER B 292 6.146 5.686 48.714 1.00 31.66 O +ATOM 325 CB SER B 292 5.849 6.715 45.671 1.00 24.00 C +ATOM 326 OG SER B 292 6.643 7.658 45.001 1.00 28.40 O +ATOM 327 N GLU B 293 5.239 4.146 47.315 1.00 29.89 N +ATOM 328 CA GLU B 293 4.476 3.489 48.353 1.00 33.88 C +ATOM 329 C GLU B 293 5.429 2.835 49.347 1.00 32.12 C +ATOM 330 O GLU B 293 5.324 3.037 50.550 1.00 31.38 O +ATOM 331 CB GLU B 293 3.553 2.440 47.745 1.00 40.65 C +ATOM 332 CG GLU B 293 2.437 2.035 48.682 1.00 51.23 C +ATOM 333 CD GLU B 293 1.884 3.230 49.465 1.00 59.31 C +ATOM 334 OE1 GLU B 293 1.574 4.274 48.835 1.00 62.09 O +ATOM 335 OE2 GLU B 293 1.762 3.120 50.711 1.00 62.36 O +ATOM 336 N LEU B 294 6.370 2.056 48.841 1.00 30.23 N +ATOM 337 CA LEU B 294 7.336 1.405 49.723 1.00 26.88 C +ATOM 338 C LEU B 294 8.153 2.450 50.488 1.00 25.97 C +ATOM 339 O LEU B 294 8.446 2.256 51.662 1.00 25.57 O +ATOM 340 CB LEU B 294 8.260 0.496 48.911 1.00 22.93 C +ATOM 341 CG LEU B 294 7.557 -0.720 48.303 1.00 24.26 C +ATOM 342 CD1 LEU B 294 8.411 -1.330 47.205 1.00 23.74 C +ATOM 343 CD2 LEU B 294 7.264 -1.735 49.388 1.00 21.65 C +ATOM 344 N ALA B 295 8.514 3.555 49.833 1.00 28.09 N +ATOM 345 CA ALA B 295 9.293 4.629 50.483 1.00 31.67 C +ATOM 346 C ALA B 295 8.515 5.261 51.641 1.00 34.27 C +ATOM 347 O ALA B 295 9.047 5.469 52.728 1.00 34.58 O +ATOM 348 CB ALA B 295 9.660 5.706 49.478 1.00 24.86 C +ATOM 349 N SER B 296 7.251 5.559 51.402 1.00 35.87 N +ATOM 350 CA SER B 296 6.435 6.160 52.429 1.00 40.46 C +ATOM 351 C SER B 296 6.171 5.146 53.547 1.00 41.81 C +ATOM 352 O SER B 296 6.214 5.492 54.735 1.00 46.23 O +ATOM 353 CB SER B 296 5.122 6.646 51.818 1.00 42.55 C +ATOM 354 OG SER B 296 4.400 5.553 51.290 1.00 42.96 O +ATOM 355 N THR B 297 5.888 3.900 53.179 1.00 39.98 N +ATOM 356 CA THR B 297 5.654 2.875 54.185 1.00 39.26 C +ATOM 357 C THR B 297 6.860 2.781 55.123 1.00 37.65 C +ATOM 358 O THR B 297 6.703 2.592 56.327 1.00 35.47 O +ATOM 359 CB THR B 297 5.419 1.512 53.553 1.00 41.16 C +ATOM 360 OG1 THR B 297 4.019 1.336 53.325 1.00 44.91 O +ATOM 361 CG2 THR B 297 5.925 0.401 54.462 1.00 41.62 C +ATOM 362 N ALA B 298 8.057 2.927 54.569 1.00 33.72 N +ATOM 363 CA ALA B 298 9.254 2.866 55.379 1.00 37.65 C +ATOM 364 C ALA B 298 9.217 3.971 56.456 1.00 40.55 C +ATOM 365 O ALA B 298 9.424 3.701 57.647 1.00 43.93 O +ATOM 366 CB ALA B 298 10.491 2.990 54.501 1.00 32.25 C +ATOM 367 N ASN B 299 8.936 5.204 56.050 1.00 40.75 N +ATOM 368 CA ASN B 299 8.862 6.312 56.997 1.00 42.91 C +ATOM 369 C ASN B 299 7.732 6.085 57.999 1.00 45.57 C +ATOM 370 O ASN B 299 7.816 6.471 59.158 1.00 43.27 O +ATOM 371 CB ASN B 299 8.661 7.601 56.234 1.00 39.36 C +ATOM 372 CG ASN B 299 9.784 7.859 55.294 1.00 40.50 C +ATOM 373 OD1 ASN B 299 10.940 7.668 55.653 1.00 45.37 O +ATOM 374 ND2 ASN B 299 9.470 8.285 54.080 1.00 37.91 N +ATOM 375 N MET B 300 6.672 5.443 57.529 1.00 50.01 N +ATOM 376 CA MET B 300 5.534 5.102 58.377 1.00 50.79 C +ATOM 377 C MET B 300 6.060 4.157 59.475 1.00 50.92 C +ATOM 378 O MET B 300 5.506 4.100 60.579 1.00 53.58 O +ATOM 379 CB MET B 300 4.480 4.367 57.539 1.00 52.87 C +ATOM 380 CG MET B 300 3.069 4.370 58.106 1.00 56.75 C +ATOM 381 SD MET B 300 2.280 6.010 58.048 1.00 57.40 S +ATOM 382 CE MET B 300 3.193 6.765 56.755 1.00 52.87 C +ATOM 383 N LEU B 301 7.123 3.413 59.149 1.00 46.44 N +ATOM 384 CA LEU B 301 7.736 2.460 60.068 1.00 42.38 C +ATOM 385 C LEU B 301 8.814 3.085 60.924 1.00 45.11 C +ATOM 386 O LEU B 301 9.017 2.651 62.056 1.00 43.30 O +ATOM 387 CB LEU B 301 8.331 1.282 59.313 1.00 32.31 C +ATOM 388 CG LEU B 301 7.275 0.255 58.973 1.00 33.73 C +ATOM 389 CD1 LEU B 301 7.833 -0.744 57.967 1.00 35.18 C +ATOM 390 CD2 LEU B 301 6.809 -0.436 60.241 1.00 32.06 C +ATOM 391 N ARG B 302 9.525 4.075 60.387 1.00 45.53 N +ATOM 392 CA ARG B 302 10.548 4.741 61.178 1.00 47.76 C +ATOM 393 C ARG B 302 9.773 5.516 62.247 1.00 52.58 C +ATOM 394 O ARG B 302 10.243 5.723 63.371 1.00 51.53 O +ATOM 395 CB ARG B 302 11.360 5.689 60.308 1.00 45.70 C +ATOM 396 CG ARG B 302 12.240 4.980 59.317 1.00 44.90 C +ATOM 397 CD ARG B 302 13.170 5.953 58.598 1.00 43.63 C +ATOM 398 NE ARG B 302 14.027 5.276 57.614 1.00 48.45 N +ATOM 399 CZ ARG B 302 13.631 4.864 56.406 1.00 46.07 C +ATOM 400 NH1 ARG B 302 12.377 5.045 55.997 1.00 45.43 N +ATOM 401 NH2 ARG B 302 14.498 4.283 55.593 1.00 41.33 N +ATOM 402 N GLU B 303 8.561 5.920 61.875 1.00 54.85 N +ATOM 403 CA GLU B 303 7.666 6.637 62.770 1.00 58.39 C +ATOM 404 C GLU B 303 7.419 5.749 63.985 1.00 58.52 C +ATOM 405 O GLU B 303 7.678 6.131 65.121 1.00 56.07 O +ATOM 406 CB GLU B 303 6.335 6.914 62.058 1.00 60.34 C +ATOM 407 CG GLU B 303 5.304 7.659 62.903 1.00 63.06 C +ATOM 408 CD GLU B 303 5.749 9.071 63.267 1.00 63.32 C +ATOM 409 OE1 GLU B 303 5.066 9.720 64.090 1.00 61.73 O +ATOM 410 OE2 GLU B 303 6.778 9.534 62.724 1.00 65.11 O +ATOM 411 N GLN B 304 6.920 4.550 63.716 1.00 60.79 N +ATOM 412 CA GLN B 304 6.628 3.571 64.751 1.00 62.41 C +ATOM 413 C GLN B 304 7.897 3.219 65.534 1.00 62.83 C +ATOM 414 O GLN B 304 7.821 2.818 66.694 1.00 62.19 O +ATOM 415 CB GLN B 304 6.057 2.305 64.111 1.00 62.87 C +ATOM 416 CG GLN B 304 4.947 1.637 64.896 1.00 67.76 C +ATOM 417 CD GLN B 304 4.693 0.204 64.440 1.00 71.63 C +ATOM 418 OE1 GLN B 304 4.663 -0.089 63.239 1.00 71.06 O +ATOM 419 NE2 GLN B 304 4.501 -0.697 65.403 1.00 72.76 N +ATOM 420 N VAL B 305 9.059 3.366 64.897 1.00 63.75 N +ATOM 421 CA VAL B 305 10.331 3.048 65.543 1.00 65.15 C +ATOM 422 C VAL B 305 10.763 4.207 66.439 1.00 68.68 C +ATOM 423 O VAL B 305 11.569 4.027 67.356 1.00 70.81 O +ATOM 424 CB VAL B 305 11.452 2.733 64.497 1.00 62.01 C +ATOM 425 CG1 VAL B 305 12.381 3.919 64.324 1.00 58.59 C +ATOM 426 CG2 VAL B 305 12.229 1.507 64.922 1.00 57.05 C +ATOM 427 N ALA B 306 10.221 5.392 66.170 1.00 70.54 N +ATOM 428 CA ALA B 306 10.535 6.578 66.966 1.00 71.91 C +ATOM 429 C ALA B 306 9.605 6.629 68.179 1.00 72.34 C +ATOM 430 O ALA B 306 9.958 7.169 69.231 1.00 72.12 O +ATOM 431 CB ALA B 306 10.373 7.840 66.121 1.00 71.31 C +ATOM 432 N GLN B 307 8.411 6.067 68.019 1.00 72.52 N +ATOM 433 CA GLN B 307 7.437 6.033 69.100 1.00 72.88 C +ATOM 434 C GLN B 307 7.955 5.057 70.144 1.00 72.93 C +ATOM 435 O GLN B 307 8.007 5.369 71.327 1.00 74.24 O +ATOM 436 CB GLN B 307 6.070 5.539 68.607 1.00 74.48 C +ATOM 437 CG GLN B 307 5.489 6.246 67.386 1.00 74.49 C +ATOM 438 CD GLN B 307 4.078 5.768 67.063 1.00 74.18 C +ATOM 439 OE1 GLN B 307 3.730 4.613 67.322 1.00 73.53 O +ATOM 440 NE2 GLN B 307 3.265 6.651 66.484 1.00 74.30 N +ATOM 441 N LEU B 308 8.331 3.866 69.695 1.00 72.43 N +ATOM 442 CA LEU B 308 8.838 2.842 70.592 1.00 73.89 C +ATOM 443 C LEU B 308 10.204 3.255 71.120 1.00 76.83 C +ATOM 444 O LEU B 308 10.728 2.653 72.062 1.00 78.24 O +ATOM 445 CB LEU B 308 8.962 1.510 69.854 1.00 70.42 C +ATOM 446 CG LEU B 308 7.686 0.904 69.268 1.00 69.64 C +ATOM 447 CD1 LEU B 308 8.045 -0.321 68.428 1.00 66.15 C +ATOM 448 CD2 LEU B 308 6.724 0.536 70.389 1.00 64.37 C +ATOM 449 N LYS B 309 10.767 4.296 70.512 1.00 78.76 N +ATOM 450 CA LYS B 309 12.093 4.796 70.871 1.00 79.62 C +ATOM 451 C LYS B 309 12.328 5.161 72.351 1.00 80.00 C +ATOM 452 O LYS B 309 13.477 5.180 72.802 1.00 80.00 O +ATOM 453 CB LYS B 309 12.431 5.999 69.992 1.00 80.00 C +ATOM 454 CG LYS B 309 13.908 6.339 69.910 1.00 80.00 C +ATOM 455 CD LYS B 309 14.664 5.396 68.985 1.00 80.00 C +ATOM 456 CE LYS B 309 16.046 5.965 68.655 1.00 80.00 C +ATOM 457 NZ LYS B 309 16.818 5.113 67.701 1.00 80.00 N +ATOM 458 N GLN B 310 11.270 5.450 73.109 1.00 80.00 N +ATOM 459 CA GLN B 310 11.448 5.805 74.519 1.00 80.00 C +ATOM 460 C GLN B 310 10.741 4.897 75.521 1.00 80.00 C +ATOM 461 O GLN B 310 9.845 4.114 75.123 1.00 79.24 O +ATOM 462 CB GLN B 310 11.010 7.252 74.766 1.00 80.00 C +ATOM 463 CG GLN B 310 12.023 8.298 74.318 1.00 80.00 C +ATOM 464 CD GLN B 310 11.520 9.152 73.165 1.00 80.00 C +ATOM 465 OE1 GLN B 310 10.429 9.727 73.232 1.00 80.00 O +ATOM 466 NE2 GLN B 310 12.318 9.248 72.106 1.00 78.64 N +TER 467 GLN B 310 +END diff --git a/bench/main_benchmark/structures/SFB_ID_CREB_1KDXB_1KDXB/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_CREB_1KDXB_1KDXB/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..67e12735e7b3046373266e1daa2e34aa27152805 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_CREB_1KDXB_1KDXB/state_a.pdb @@ -0,0 +1,462 @@ +MODEL 1 +ATOM 1 N THR B 119 -8.687 1.533 -18.744 1.00 0.00 N +ATOM 2 CA THR B 119 -7.965 2.639 -19.356 1.00 0.00 C +ATOM 3 C THR B 119 -8.019 3.845 -18.420 1.00 0.00 C +ATOM 4 O THR B 119 -6.997 4.284 -17.897 1.00 0.00 O +ATOM 5 CB THR B 119 -8.505 2.925 -20.767 1.00 0.00 C +ATOM 6 OG1 THR B 119 -8.378 1.761 -21.560 1.00 0.00 O +ATOM 7 CG2 THR B 119 -7.730 4.054 -21.459 1.00 0.00 C +ATOM 8 H THR B 119 -8.770 1.486 -17.733 1.00 0.00 H +ATOM 9 HA THR B 119 -6.923 2.341 -19.448 1.00 0.00 H +ATOM 10 HB THR B 119 -9.561 3.194 -20.704 1.00 0.00 H +ATOM 11 HG1 THR B 119 -8.843 1.890 -22.390 1.00 0.00 H +ATOM 12 HG21 THR B 119 -6.672 3.795 -21.517 1.00 0.00 H +ATOM 13 HG22 THR B 119 -8.114 4.197 -22.469 1.00 0.00 H +ATOM 14 HG23 THR B 119 -7.842 4.990 -20.910 1.00 0.00 H +ATOM 15 N ASP B 120 -9.226 4.353 -18.163 1.00 0.00 N +ATOM 16 CA ASP B 120 -9.426 5.458 -17.228 1.00 0.00 C +ATOM 17 C ASP B 120 -8.975 5.013 -15.833 1.00 0.00 C +ATOM 18 O ASP B 120 -8.339 5.759 -15.096 1.00 0.00 O +ATOM 19 CB ASP B 120 -10.898 5.891 -17.247 1.00 0.00 C +ATOM 20 CG ASP B 120 -11.170 7.095 -16.347 1.00 0.00 C +ATOM 21 OD1 ASP B 120 -10.259 7.941 -16.223 1.00 0.00 O +ATOM 22 OD2 ASP B 120 -12.305 7.162 -15.829 1.00 0.00 O +ATOM 23 H ASP B 120 -10.019 3.910 -18.599 1.00 0.00 H +ATOM 24 HA ASP B 120 -8.797 6.292 -17.547 1.00 0.00 H +ATOM 25 HB2 ASP B 120 -11.173 6.170 -18.264 1.00 0.00 H +ATOM 26 HB3 ASP B 120 -11.530 5.062 -16.927 1.00 0.00 H +ATOM 27 N SER B 121 -9.248 3.746 -15.516 1.00 0.00 N +ATOM 28 CA SER B 121 -8.800 3.056 -14.320 1.00 0.00 C +ATOM 29 C SER B 121 -7.284 3.219 -14.201 1.00 0.00 C +ATOM 30 O SER B 121 -6.782 3.794 -13.237 1.00 0.00 O +ATOM 31 CB SER B 121 -9.182 1.582 -14.505 1.00 0.00 C +ATOM 32 OG SER B 121 -8.968 1.229 -15.867 1.00 0.00 O +ATOM 33 H SER B 121 -9.704 3.161 -16.203 1.00 0.00 H +ATOM 34 HA SER B 121 -9.279 3.459 -13.427 1.00 0.00 H +ATOM 35 HB2 SER B 121 -8.596 0.947 -13.835 1.00 0.00 H +ATOM 36 HB3 SER B 121 -10.241 1.443 -14.281 1.00 0.00 H +ATOM 37 HG SER B 121 -8.258 0.572 -15.899 1.00 0.00 H +ATOM 38 N GLN B 122 -6.572 2.703 -15.206 1.00 0.00 N +ATOM 39 CA GLN B 122 -5.125 2.756 -15.317 1.00 0.00 C +ATOM 40 C GLN B 122 -4.637 4.193 -15.142 1.00 0.00 C +ATOM 41 O GLN B 122 -3.751 4.424 -14.329 1.00 0.00 O +ATOM 42 CB GLN B 122 -4.658 2.173 -16.665 1.00 0.00 C +ATOM 43 CG GLN B 122 -4.254 0.689 -16.611 1.00 0.00 C +ATOM 44 CD GLN B 122 -5.424 -0.284 -16.483 1.00 0.00 C +ATOM 45 OE1 GLN B 122 -6.532 0.085 -16.108 1.00 0.00 O +ATOM 46 NE2 GLN B 122 -5.191 -1.558 -16.793 1.00 0.00 N +ATOM 47 H GLN B 122 -7.088 2.227 -15.936 1.00 0.00 H +ATOM 48 HA GLN B 122 -4.698 2.167 -14.505 1.00 0.00 H +ATOM 49 HB2 GLN B 122 -5.416 2.318 -17.434 1.00 0.00 H +ATOM 50 HB3 GLN B 122 -3.766 2.717 -16.972 1.00 0.00 H +ATOM 51 HG2 GLN B 122 -3.723 0.458 -17.534 1.00 0.00 H +ATOM 52 HG3 GLN B 122 -3.572 0.530 -15.774 1.00 0.00 H +ATOM 53 HE21 GLN B 122 -4.283 -1.862 -17.107 1.00 0.00 H +ATOM 54 HE22 GLN B 122 -5.956 -2.212 -16.724 1.00 0.00 H +ATOM 55 N LYS B 123 -5.195 5.151 -15.888 1.00 0.00 N +ATOM 56 CA LYS B 123 -4.794 6.550 -15.803 1.00 0.00 C +ATOM 57 C LYS B 123 -4.910 7.071 -14.367 1.00 0.00 C +ATOM 58 O LYS B 123 -3.922 7.513 -13.782 1.00 0.00 O +ATOM 59 CB LYS B 123 -5.642 7.401 -16.761 1.00 0.00 C +ATOM 60 CG LYS B 123 -5.371 7.099 -18.242 1.00 0.00 C +ATOM 61 CD LYS B 123 -4.112 7.823 -18.735 1.00 0.00 C +ATOM 62 CE LYS B 123 -3.761 7.444 -20.178 1.00 0.00 C +ATOM 63 NZ LYS B 123 -4.828 7.816 -21.126 1.00 0.00 N +ATOM 64 H LYS B 123 -5.928 4.893 -16.540 1.00 0.00 H +ATOM 65 HA LYS B 123 -3.745 6.624 -16.091 1.00 0.00 H +ATOM 66 HB2 LYS B 123 -6.696 7.213 -16.556 1.00 0.00 H +ATOM 67 HB3 LYS B 123 -5.451 8.460 -16.575 1.00 0.00 H +ATOM 68 HG2 LYS B 123 -5.262 6.026 -18.395 1.00 0.00 H +ATOM 69 HG3 LYS B 123 -6.233 7.445 -18.814 1.00 0.00 H +ATOM 70 HD2 LYS B 123 -4.269 8.902 -18.667 1.00 0.00 H +ATOM 71 HD3 LYS B 123 -3.265 7.557 -18.101 1.00 0.00 H +ATOM 72 HE2 LYS B 123 -2.845 7.963 -20.466 1.00 0.00 H +ATOM 73 HE3 LYS B 123 -3.583 6.370 -20.241 1.00 0.00 H +ATOM 74 HZ1 LYS B 123 -4.997 8.811 -21.073 1.00 0.00 H +ATOM 75 HZ2 LYS B 123 -4.545 7.575 -22.065 1.00 0.00 H +ATOM 76 HZ3 LYS B 123 -5.676 7.318 -20.898 1.00 0.00 H +ATOM 77 N ARG B 124 -6.116 7.010 -13.798 1.00 0.00 N +ATOM 78 CA ARG B 124 -6.382 7.470 -12.441 1.00 0.00 C +ATOM 79 C ARG B 124 -5.430 6.798 -11.458 1.00 0.00 C +ATOM 80 O ARG B 124 -4.726 7.485 -10.725 1.00 0.00 O +ATOM 81 CB ARG B 124 -7.857 7.243 -12.092 1.00 0.00 C +ATOM 82 CG ARG B 124 -8.752 8.154 -12.949 1.00 0.00 C +ATOM 83 CD ARG B 124 -10.243 7.882 -12.733 1.00 0.00 C +ATOM 84 NE ARG B 124 -10.591 6.497 -13.078 1.00 0.00 N +ATOM 85 CZ ARG B 124 -11.824 5.980 -12.975 1.00 0.00 C +ATOM 86 NH1 ARG B 124 -12.850 6.749 -12.595 1.00 0.00 N +ATOM 87 NH2 ARG B 124 -12.030 4.692 -13.260 1.00 0.00 N +ATOM 88 H ARG B 124 -6.881 6.602 -14.326 1.00 0.00 H +ATOM 89 HA ARG B 124 -6.193 8.538 -12.348 1.00 0.00 H +ATOM 90 HB2 ARG B 124 -8.104 6.193 -12.246 1.00 0.00 H +ATOM 91 HB3 ARG B 124 -8.012 7.490 -11.041 1.00 0.00 H +ATOM 92 HG2 ARG B 124 -8.547 9.193 -12.693 1.00 0.00 H +ATOM 93 HG3 ARG B 124 -8.534 8.021 -14.008 1.00 0.00 H +ATOM 94 HD2 ARG B 124 -10.498 8.078 -11.691 1.00 0.00 H +ATOM 95 HD3 ARG B 124 -10.811 8.557 -13.375 1.00 0.00 H +ATOM 96 HE ARG B 124 -9.837 5.921 -13.430 1.00 0.00 H +ATOM 97 HH11 ARG B 124 -12.683 7.721 -12.388 1.00 0.00 H +ATOM 98 HH12 ARG B 124 -13.782 6.377 -12.517 1.00 0.00 H +ATOM 99 HH21 ARG B 124 -11.257 4.116 -13.552 1.00 0.00 H +ATOM 100 HH22 ARG B 124 -12.949 4.286 -13.168 1.00 0.00 H +ATOM 101 N ARG B 125 -5.376 5.468 -11.452 1.00 0.00 N +ATOM 102 CA ARG B 125 -4.500 4.735 -10.555 1.00 0.00 C +ATOM 103 C ARG B 125 -3.041 5.169 -10.732 1.00 0.00 C +ATOM 104 O ARG B 125 -2.394 5.548 -9.761 1.00 0.00 O +ATOM 105 CB ARG B 125 -4.707 3.227 -10.752 1.00 0.00 C +ATOM 106 CG ARG B 125 -3.929 2.407 -9.712 1.00 0.00 C +ATOM 107 CD ARG B 125 -4.436 0.960 -9.659 1.00 0.00 C +ATOM 108 NE ARG B 125 -4.260 0.282 -10.949 1.00 0.00 N +ATOM 109 CZ ARG B 125 -4.690 -0.958 -11.226 1.00 0.00 C +ATOM 110 NH1 ARG B 125 -5.341 -1.680 -10.304 1.00 0.00 N +ATOM 111 NH2 ARG B 125 -4.456 -1.473 -12.438 1.00 0.00 N +ATOM 112 H ARG B 125 -5.958 4.950 -12.102 1.00 0.00 H +ATOM 113 HA ARG B 125 -4.802 4.983 -9.536 1.00 0.00 H +ATOM 114 HB2 ARG B 125 -5.770 3.017 -10.636 1.00 0.00 H +ATOM 115 HB3 ARG B 125 -4.402 2.941 -11.760 1.00 0.00 H +ATOM 116 HG2 ARG B 125 -2.864 2.417 -9.953 1.00 0.00 H +ATOM 117 HG3 ARG B 125 -4.063 2.853 -8.726 1.00 0.00 H +ATOM 118 HD2 ARG B 125 -3.872 0.420 -8.894 1.00 0.00 H +ATOM 119 HD3 ARG B 125 -5.494 0.962 -9.384 1.00 0.00 H +ATOM 120 HE ARG B 125 -3.764 0.794 -11.665 1.00 0.00 H +ATOM 121 HH11 ARG B 125 -5.517 -1.303 -9.380 1.00 0.00 H +ATOM 122 HH12 ARG B 125 -5.659 -2.616 -10.507 1.00 0.00 H +ATOM 123 HH21 ARG B 125 -3.948 -0.932 -13.122 1.00 0.00 H +ATOM 124 HH22 ARG B 125 -4.767 -2.404 -12.673 1.00 0.00 H +ATOM 125 N GLU B 126 -2.520 5.127 -11.957 1.00 0.00 N +ATOM 126 CA GLU B 126 -1.148 5.488 -12.293 1.00 0.00 C +ATOM 127 C GLU B 126 -0.790 6.896 -11.810 1.00 0.00 C +ATOM 128 O GLU B 126 0.274 7.100 -11.224 1.00 0.00 O +ATOM 129 CB GLU B 126 -0.952 5.353 -13.812 1.00 0.00 C +ATOM 130 CG GLU B 126 0.482 5.647 -14.268 1.00 0.00 C +ATOM 131 CD GLU B 126 0.640 5.383 -15.762 1.00 0.00 C +ATOM 132 OE1 GLU B 126 0.044 6.159 -16.541 1.00 0.00 O +ATOM 133 OE2 GLU B 126 1.342 4.405 -16.097 1.00 0.00 O +ATOM 134 H GLU B 126 -3.123 4.829 -12.714 1.00 0.00 H +ATOM 135 HA GLU B 126 -0.484 4.779 -11.799 1.00 0.00 H +ATOM 136 HB2 GLU B 126 -1.193 4.331 -14.105 1.00 0.00 H +ATOM 137 HB3 GLU B 126 -1.633 6.032 -14.331 1.00 0.00 H +ATOM 138 HG2 GLU B 126 0.727 6.692 -14.084 1.00 0.00 H +ATOM 139 HG3 GLU B 126 1.178 5.013 -13.717 1.00 0.00 H +ATOM 140 N ILE B 127 -1.653 7.877 -12.076 1.00 0.00 N +ATOM 141 CA ILE B 127 -1.396 9.256 -11.684 1.00 0.00 C +ATOM 142 C ILE B 127 -1.499 9.383 -10.161 1.00 0.00 C +ATOM 143 O ILE B 127 -0.588 9.893 -9.513 1.00 0.00 O +ATOM 144 CB ILE B 127 -2.345 10.211 -12.434 1.00 0.00 C +ATOM 145 CG1 ILE B 127 -2.074 10.148 -13.951 1.00 0.00 C +ATOM 146 CG2 ILE B 127 -2.159 11.659 -11.948 1.00 0.00 C +ATOM 147 CD1 ILE B 127 -3.199 10.777 -14.782 1.00 0.00 C +ATOM 148 H ILE B 127 -2.508 7.663 -12.584 1.00 0.00 H +ATOM 149 HA ILE B 127 -0.373 9.516 -11.964 1.00 0.00 H +ATOM 150 HB ILE B 127 -3.374 9.906 -12.240 1.00 0.00 H +ATOM 151 HG12 ILE B 127 -1.135 10.656 -14.178 1.00 0.00 H +ATOM 152 HG13 ILE B 127 -1.979 9.115 -14.278 1.00 0.00 H +ATOM 153 HG21 ILE B 127 -2.366 11.744 -10.882 1.00 0.00 H +ATOM 154 HG22 ILE B 127 -1.134 11.984 -12.133 1.00 0.00 H +ATOM 155 HG23 ILE B 127 -2.844 12.327 -12.468 1.00 0.00 H +ATOM 156 HD11 ILE B 127 -4.154 10.315 -14.525 1.00 0.00 H +ATOM 157 HD12 ILE B 127 -3.258 11.851 -14.612 1.00 0.00 H +ATOM 158 HD13 ILE B 127 -2.998 10.606 -15.841 1.00 0.00 H +ATOM 159 N LEU B 128 -2.601 8.922 -9.568 1.00 0.00 N +ATOM 160 CA LEU B 128 -2.822 9.039 -8.131 1.00 0.00 C +ATOM 161 C LEU B 128 -1.768 8.260 -7.336 1.00 0.00 C +ATOM 162 O LEU B 128 -1.387 8.686 -6.251 1.00 0.00 O +ATOM 163 CB LEU B 128 -4.272 8.681 -7.784 1.00 0.00 C +ATOM 164 CG LEU B 128 -5.269 9.824 -8.085 1.00 0.00 C +ATOM 165 CD1 LEU B 128 -5.053 10.583 -9.403 1.00 0.00 C +ATOM 166 CD2 LEU B 128 -6.711 9.305 -8.080 1.00 0.00 C +ATOM 167 H LEU B 128 -3.325 8.486 -10.131 1.00 0.00 H +ATOM 168 HA LEU B 128 -2.680 10.083 -7.848 1.00 0.00 H +ATOM 169 HB2 LEU B 128 -4.560 7.754 -8.279 1.00 0.00 H +ATOM 170 HB3 LEU B 128 -4.311 8.508 -6.712 1.00 0.00 H +ATOM 171 HG LEU B 128 -5.166 10.552 -7.284 1.00 0.00 H +ATOM 172 HD11 LEU B 128 -5.113 9.908 -10.255 1.00 0.00 H +ATOM 173 HD12 LEU B 128 -5.821 11.348 -9.513 1.00 0.00 H +ATOM 174 HD13 LEU B 128 -4.089 11.087 -9.398 1.00 0.00 H +ATOM 175 HD21 LEU B 128 -6.822 8.507 -8.816 1.00 0.00 H +ATOM 176 HD22 LEU B 128 -6.971 8.937 -7.093 1.00 0.00 H +ATOM 177 HD23 LEU B 128 -7.400 10.110 -8.332 1.00 0.00 H +ATOM 178 N SER B 129 -1.221 7.168 -7.878 1.00 0.00 N +ATOM 179 CA SER B 129 -0.113 6.452 -7.244 1.00 0.00 C +ATOM 180 C SER B 129 1.123 7.359 -7.095 1.00 0.00 C +ATOM 181 O SER B 129 2.004 7.076 -6.286 1.00 0.00 O +ATOM 182 CB SER B 129 0.241 5.197 -8.046 1.00 0.00 C +ATOM 183 OG SER B 129 -0.821 4.265 -7.984 1.00 0.00 O +ATOM 184 H SER B 129 -1.556 6.850 -8.782 1.00 0.00 H +ATOM 185 HA SER B 129 -0.418 6.138 -6.245 1.00 0.00 H +ATOM 186 HB2 SER B 129 0.454 5.458 -9.082 1.00 0.00 H +ATOM 187 HB3 SER B 129 1.135 4.740 -7.623 1.00 0.00 H +ATOM 188 HG SER B 129 -1.568 4.636 -8.468 1.00 0.00 H +ATOM 189 N ARG B 130 1.190 8.460 -7.849 1.00 0.00 N +ATOM 190 CA ARG B 130 2.264 9.443 -7.788 1.00 0.00 C +ATOM 191 C ARG B 130 1.956 10.515 -6.730 1.00 0.00 C +ATOM 192 O ARG B 130 2.729 11.457 -6.568 1.00 0.00 O +ATOM 193 CB ARG B 130 2.391 10.061 -9.189 1.00 0.00 C +ATOM 194 CG ARG B 130 3.837 10.322 -9.639 1.00 0.00 C +ATOM 195 CD ARG B 130 3.860 10.669 -11.137 1.00 0.00 C +ATOM 196 NE ARG B 130 3.197 9.614 -11.921 1.00 0.00 N +ATOM 197 CZ ARG B 130 3.688 8.383 -12.116 1.00 0.00 C +ATOM 198 NH1 ARG B 130 5.008 8.169 -12.119 1.00 0.00 N +ATOM 199 NH2 ARG B 130 2.842 7.359 -12.282 1.00 0.00 N +ATOM 200 H ARG B 130 0.435 8.671 -8.493 1.00 0.00 H +ATOM 201 HA ARG B 130 3.198 8.943 -7.525 1.00 0.00 H +ATOM 202 HB2 ARG B 130 1.937 9.358 -9.886 1.00 0.00 H +ATOM 203 HB3 ARG B 130 1.820 10.990 -9.242 1.00 0.00 H +ATOM 204 HG2 ARG B 130 4.259 11.141 -9.055 1.00 0.00 H +ATOM 205 HG3 ARG B 130 4.437 9.426 -9.477 1.00 0.00 H +ATOM 206 HD2 ARG B 130 3.314 11.602 -11.287 1.00 0.00 H +ATOM 207 HD3 ARG B 130 4.886 10.827 -11.471 1.00 0.00 H +ATOM 208 HE ARG B 130 2.211 9.755 -12.090 1.00 0.00 H +ATOM 209 HH11 ARG B 130 5.633 8.947 -11.975 1.00 0.00 H +ATOM 210 HH12 ARG B 130 5.387 7.247 -12.271 1.00 0.00 H +ATOM 211 HH21 ARG B 130 1.856 7.470 -12.051 1.00 0.00 H +ATOM 212 HH22 ARG B 130 3.190 6.433 -12.474 1.00 0.00 H +ATOM 213 N ARG B 131 0.826 10.385 -6.025 1.00 0.00 N +ATOM 214 CA ARG B 131 0.324 11.296 -5.011 1.00 0.00 C +ATOM 215 C ARG B 131 -0.146 10.424 -3.839 1.00 0.00 C +ATOM 216 O ARG B 131 -1.331 10.105 -3.724 1.00 0.00 O +ATOM 217 CB ARG B 131 -0.799 12.135 -5.624 1.00 0.00 C +ATOM 218 CG ARG B 131 -0.234 13.059 -6.716 1.00 0.00 C +ATOM 219 CD ARG B 131 -1.163 14.234 -7.031 1.00 0.00 C +ATOM 220 NE ARG B 131 -1.356 15.082 -5.843 1.00 0.00 N +ATOM 221 CZ ARG B 131 -1.135 16.395 -5.706 1.00 0.00 C +ATOM 222 NH1 ARG B 131 -0.597 17.125 -6.689 1.00 0.00 N +ATOM 223 NH2 ARG B 131 -1.469 16.969 -4.547 1.00 0.00 N +ATOM 224 H ARG B 131 0.231 9.580 -6.190 1.00 0.00 H +ATOM 225 HA ARG B 131 1.091 11.993 -4.682 1.00 0.00 H +ATOM 226 HB2 ARG B 131 -1.583 11.498 -6.037 1.00 0.00 H +ATOM 227 HB3 ARG B 131 -1.228 12.718 -4.820 1.00 0.00 H +ATOM 228 HG2 ARG B 131 0.723 13.471 -6.395 1.00 0.00 H +ATOM 229 HG3 ARG B 131 -0.072 12.476 -7.625 1.00 0.00 H +ATOM 230 HD2 ARG B 131 -0.740 14.788 -7.867 1.00 0.00 H +ATOM 231 HD3 ARG B 131 -2.132 13.846 -7.347 1.00 0.00 H +ATOM 232 HE ARG B 131 -1.744 14.618 -5.031 1.00 0.00 H +ATOM 233 HH11 ARG B 131 -0.340 16.687 -7.559 1.00 0.00 H +ATOM 234 HH12 ARG B 131 -0.438 18.114 -6.572 1.00 0.00 H +ATOM 235 HH21 ARG B 131 -1.896 16.400 -3.827 1.00 0.00 H +ATOM 236 HH22 ARG B 131 -1.327 17.954 -4.386 1.00 0.00 H +ATOM 237 N PRO B 132 0.788 9.986 -2.977 1.00 0.00 N +ATOM 238 CA PRO B 132 0.527 9.018 -1.924 1.00 0.00 C +ATOM 239 C PRO B 132 -0.590 9.342 -0.930 1.00 0.00 C +ATOM 240 O PRO B 132 -0.994 8.438 -0.200 1.00 0.00 O +ATOM 241 CB PRO B 132 1.878 8.713 -1.276 1.00 0.00 C +ATOM 242 CG PRO B 132 2.732 9.927 -1.628 1.00 0.00 C +ATOM 243 CD PRO B 132 2.205 10.318 -3.005 1.00 0.00 C +ATOM 244 HA PRO B 132 0.204 8.101 -2.421 1.00 0.00 H +ATOM 245 HB2 PRO B 132 1.809 8.545 -0.201 1.00 0.00 H +ATOM 246 HB3 PRO B 132 2.303 7.842 -1.776 1.00 0.00 H +ATOM 247 HG2 PRO B 132 2.526 10.731 -0.919 1.00 0.00 H +ATOM 248 HG3 PRO B 132 3.800 9.699 -1.640 1.00 0.00 H +ATOM 249 HD2 PRO B 132 2.402 11.379 -3.150 1.00 0.00 H +ATOM 250 HD3 PRO B 132 2.702 9.733 -3.780 1.00 0.00 H +ATOM 251 N TYR B 134 -3.500 9.431 -1.781 1.00 0.00 N +ATOM 252 CA TYR B 134 -4.394 8.392 -2.284 1.00 0.00 C +ATOM 253 C TYR B 134 -4.119 7.083 -1.532 1.00 0.00 C +ATOM 254 O TYR B 134 -5.045 6.464 -1.012 1.00 0.00 O +ATOM 255 CB TYR B 134 -4.123 8.229 -3.787 1.00 0.00 C +ATOM 256 CG TYR B 134 -4.793 7.054 -4.480 1.00 0.00 C +ATOM 257 CD1 TYR B 134 -6.029 7.238 -5.128 1.00 0.00 C +ATOM 258 CD2 TYR B 134 -4.044 5.889 -4.737 1.00 0.00 C +ATOM 259 CE1 TYR B 134 -6.452 6.320 -6.108 1.00 0.00 C +ATOM 260 CE2 TYR B 134 -4.526 4.918 -5.631 1.00 0.00 C +ATOM 261 CZ TYR B 134 -5.728 5.139 -6.322 1.00 0.00 C +ATOM 262 OH TYR B 134 -6.177 4.227 -7.231 1.00 0.00 O +ATOM 263 H TYR B 134 -2.821 9.829 -2.428 1.00 0.00 H +ATOM 264 HA TYR B 134 -5.441 8.677 -2.111 1.00 0.00 H +ATOM 265 HB2 TYR B 134 -4.417 9.148 -4.296 1.00 0.00 H +ATOM 266 HB3 TYR B 134 -3.047 8.121 -3.933 1.00 0.00 H +ATOM 267 HD1 TYR B 134 -6.572 8.161 -4.990 1.00 0.00 H +ATOM 268 HD2 TYR B 134 -3.067 5.760 -4.293 1.00 0.00 H +ATOM 269 HE1 TYR B 134 -7.275 6.560 -6.767 1.00 0.00 H +ATOM 270 HE2 TYR B 134 -3.929 4.043 -5.837 1.00 0.00 H +ATOM 271 HH TYR B 134 -5.651 3.427 -7.243 1.00 0.00 H +ATOM 272 N ARG B 135 -2.850 6.666 -1.437 1.00 0.00 N +ATOM 273 CA ARG B 135 -2.491 5.457 -0.703 1.00 0.00 C +ATOM 274 C ARG B 135 -2.908 5.580 0.761 1.00 0.00 C +ATOM 275 O ARG B 135 -3.441 4.629 1.326 1.00 0.00 O +ATOM 276 CB ARG B 135 -0.996 5.136 -0.785 1.00 0.00 C +ATOM 277 CG ARG B 135 -0.574 4.633 -2.166 1.00 0.00 C +ATOM 278 CD ARG B 135 0.802 3.966 -2.040 1.00 0.00 C +ATOM 279 NE ARG B 135 1.321 3.528 -3.340 1.00 0.00 N +ATOM 280 CZ ARG B 135 1.872 4.347 -4.245 1.00 0.00 C +ATOM 281 NH1 ARG B 135 1.933 5.660 -4.014 1.00 0.00 N +ATOM 282 NH2 ARG B 135 2.360 3.849 -5.385 1.00 0.00 N +ATOM 283 H ARG B 135 -2.118 7.241 -1.827 1.00 0.00 H +ATOM 284 HA ARG B 135 -3.040 4.620 -1.137 1.00 0.00 H +ATOM 285 HB2 ARG B 135 -0.396 6.000 -0.501 1.00 0.00 H +ATOM 286 HB3 ARG B 135 -0.802 4.339 -0.064 1.00 0.00 H +ATOM 287 HG2 ARG B 135 -1.288 3.889 -2.524 1.00 0.00 H +ATOM 288 HG3 ARG B 135 -0.555 5.467 -2.869 1.00 0.00 H +ATOM 289 HD2 ARG B 135 1.513 4.643 -1.564 1.00 0.00 H +ATOM 290 HD3 ARG B 135 0.709 3.082 -1.407 1.00 0.00 H +ATOM 291 HE ARG B 135 1.256 2.540 -3.546 1.00 0.00 H +ATOM 292 HH11 ARG B 135 1.576 6.034 -3.151 1.00 0.00 H +ATOM 293 HH12 ARG B 135 2.231 6.296 -4.751 1.00 0.00 H +ATOM 294 HH21 ARG B 135 2.322 2.856 -5.559 1.00 0.00 H +ATOM 295 HH22 ARG B 135 2.801 4.462 -6.054 1.00 0.00 H +ATOM 296 N LYS B 136 -2.677 6.742 1.379 1.00 0.00 N +ATOM 297 CA LYS B 136 -3.091 6.943 2.761 1.00 0.00 C +ATOM 298 C LYS B 136 -4.605 6.740 2.870 1.00 0.00 C +ATOM 299 O LYS B 136 -5.066 6.066 3.789 1.00 0.00 O +ATOM 300 CB LYS B 136 -2.633 8.303 3.302 1.00 0.00 C +ATOM 301 CG LYS B 136 -1.099 8.385 3.332 1.00 0.00 C +ATOM 302 CD LYS B 136 -0.543 9.711 3.877 1.00 0.00 C +ATOM 303 CE LYS B 136 -0.729 9.897 5.391 1.00 0.00 C +ATOM 304 NZ LYS B 136 -2.027 10.504 5.736 1.00 0.00 N +ATOM 305 H LYS B 136 -2.230 7.496 0.865 1.00 0.00 H +ATOM 306 HA LYS B 136 -2.617 6.171 3.371 1.00 0.00 H +ATOM 307 HB2 LYS B 136 -3.046 9.112 2.700 1.00 0.00 H +ATOM 308 HB3 LYS B 136 -3.018 8.384 4.316 1.00 0.00 H +ATOM 309 HG2 LYS B 136 -0.706 7.558 3.927 1.00 0.00 H +ATOM 310 HG3 LYS B 136 -0.723 8.268 2.316 1.00 0.00 H +ATOM 311 HD2 LYS B 136 0.531 9.700 3.683 1.00 0.00 H +ATOM 312 HD3 LYS B 136 -0.969 10.554 3.331 1.00 0.00 H +ATOM 313 HE2 LYS B 136 -0.617 8.942 5.906 1.00 0.00 H +ATOM 314 HE3 LYS B 136 0.050 10.571 5.753 1.00 0.00 H +ATOM 315 HZ1 LYS B 136 -2.112 11.403 5.284 1.00 0.00 H +ATOM 316 HZ2 LYS B 136 -2.784 9.908 5.439 1.00 0.00 H +ATOM 317 HZ3 LYS B 136 -2.081 10.630 6.737 1.00 0.00 H +ATOM 318 N ILE B 137 -5.379 7.275 1.920 1.00 0.00 N +ATOM 319 CA ILE B 137 -6.823 7.070 1.897 1.00 0.00 C +ATOM 320 C ILE B 137 -7.128 5.576 1.738 1.00 0.00 C +ATOM 321 O ILE B 137 -7.963 5.067 2.480 1.00 0.00 O +ATOM 322 CB ILE B 137 -7.504 7.949 0.833 1.00 0.00 C +ATOM 323 CG1 ILE B 137 -7.388 9.430 1.237 1.00 0.00 C +ATOM 324 CG2 ILE B 137 -8.993 7.592 0.703 1.00 0.00 C +ATOM 325 CD1 ILE B 137 -7.529 10.362 0.035 1.00 0.00 C +ATOM 326 H ILE B 137 -4.948 7.817 1.175 1.00 0.00 H +ATOM 327 HA ILE B 137 -7.218 7.380 2.865 1.00 0.00 H +ATOM 328 HB ILE B 137 -7.023 7.790 -0.131 1.00 0.00 H +ATOM 329 HG12 ILE B 137 -8.159 9.669 1.970 1.00 0.00 H +ATOM 330 HG13 ILE B 137 -6.421 9.635 1.695 1.00 0.00 H +ATOM 331 HG21 ILE B 137 -9.130 6.544 0.451 1.00 0.00 H +ATOM 332 HG22 ILE B 137 -9.511 7.788 1.641 1.00 0.00 H +ATOM 333 HG23 ILE B 137 -9.449 8.179 -0.091 1.00 0.00 H +ATOM 334 HD11 ILE B 137 -8.390 10.098 -0.573 1.00 0.00 H +ATOM 335 HD12 ILE B 137 -7.650 11.382 0.394 1.00 0.00 H +ATOM 336 HD13 ILE B 137 -6.630 10.299 -0.574 1.00 0.00 H +ATOM 337 N LEU B 138 -6.471 4.859 0.814 1.00 0.00 N +ATOM 338 CA LEU B 138 -6.681 3.415 0.659 1.00 0.00 C +ATOM 339 C LEU B 138 -6.476 2.733 2.014 1.00 0.00 C +ATOM 340 O LEU B 138 -7.358 2.032 2.508 1.00 0.00 O +ATOM 341 CB LEU B 138 -5.710 2.781 -0.363 1.00 0.00 C +ATOM 342 CG LEU B 138 -6.178 2.653 -1.823 1.00 0.00 C +ATOM 343 CD1 LEU B 138 -7.450 1.805 -1.960 1.00 0.00 C +ATOM 344 CD2 LEU B 138 -6.300 4.010 -2.518 1.00 0.00 C +ATOM 345 H LEU B 138 -5.793 5.331 0.224 1.00 0.00 H +ATOM 346 HA LEU B 138 -7.714 3.243 0.362 1.00 0.00 H +ATOM 347 HB2 LEU B 138 -4.763 3.313 -0.347 1.00 0.00 H +ATOM 348 HB3 LEU B 138 -5.505 1.760 -0.038 1.00 0.00 H +ATOM 349 HG LEU B 138 -5.395 2.109 -2.354 1.00 0.00 H +ATOM 350 HD11 LEU B 138 -7.301 0.841 -1.473 1.00 0.00 H +ATOM 351 HD12 LEU B 138 -8.310 2.296 -1.514 1.00 0.00 H +ATOM 352 HD13 LEU B 138 -7.656 1.633 -3.015 1.00 0.00 H +ATOM 353 HD21 LEU B 138 -6.919 4.684 -1.937 1.00 0.00 H +ATOM 354 HD22 LEU B 138 -5.308 4.445 -2.620 1.00 0.00 H +ATOM 355 HD23 LEU B 138 -6.730 3.887 -3.513 1.00 0.00 H +ATOM 356 N ASN B 139 -5.303 2.945 2.617 1.00 0.00 N +ATOM 357 CA ASN B 139 -4.959 2.354 3.901 1.00 0.00 C +ATOM 358 C ASN B 139 -6.032 2.686 4.929 1.00 0.00 C +ATOM 359 O ASN B 139 -6.498 1.788 5.625 1.00 0.00 O +ATOM 360 CB ASN B 139 -3.584 2.837 4.377 1.00 0.00 C +ATOM 361 CG ASN B 139 -2.989 2.010 5.524 1.00 0.00 C +ATOM 362 OD1 ASN B 139 -1.772 1.966 5.661 1.00 0.00 O +ATOM 363 ND2 ASN B 139 -3.782 1.339 6.361 1.00 0.00 N +ATOM 364 H ASN B 139 -4.628 3.546 2.158 1.00 0.00 H +ATOM 365 HA ASN B 139 -4.917 1.273 3.765 1.00 0.00 H +ATOM 366 HB2 ASN B 139 -2.888 2.776 3.539 1.00 0.00 H +ATOM 367 HB3 ASN B 139 -3.643 3.881 4.690 1.00 0.00 H +ATOM 368 HD21 ASN B 139 -4.799 1.324 6.304 1.00 0.00 H +ATOM 369 HD22 ASN B 139 -3.334 0.804 7.088 1.00 0.00 H +ATOM 370 N ASP B 140 -6.417 3.957 5.038 1.00 0.00 N +ATOM 371 CA ASP B 140 -7.431 4.386 5.985 1.00 0.00 C +ATOM 372 C ASP B 140 -8.746 3.653 5.727 1.00 0.00 C +ATOM 373 O ASP B 140 -9.369 3.165 6.663 1.00 0.00 O +ATOM 374 CB ASP B 140 -7.612 5.905 5.919 1.00 0.00 C +ATOM 375 CG ASP B 140 -8.639 6.385 6.940 1.00 0.00 C +ATOM 376 OD1 ASP B 140 -8.493 6.007 8.122 1.00 0.00 O +ATOM 377 OD2 ASP B 140 -9.552 7.127 6.521 1.00 0.00 O +ATOM 378 H ASP B 140 -5.989 4.652 4.438 1.00 0.00 H +ATOM 379 HA ASP B 140 -7.081 4.124 6.985 1.00 0.00 H +ATOM 380 HB2 ASP B 140 -6.662 6.395 6.129 1.00 0.00 H +ATOM 381 HB3 ASP B 140 -7.942 6.190 4.920 1.00 0.00 H +ATOM 382 N LEU B 141 -9.162 3.548 4.463 1.00 0.00 N +ATOM 383 CA LEU B 141 -10.384 2.856 4.080 1.00 0.00 C +ATOM 384 C LEU B 141 -10.315 1.394 4.529 1.00 0.00 C +ATOM 385 O LEU B 141 -11.290 0.855 5.052 1.00 0.00 O +ATOM 386 CB LEU B 141 -10.628 3.005 2.568 1.00 0.00 C +ATOM 387 CG LEU B 141 -12.032 2.560 2.120 1.00 0.00 C +ATOM 388 CD1 LEU B 141 -13.129 3.436 2.733 1.00 0.00 C +ATOM 389 CD2 LEU B 141 -12.138 2.645 0.592 1.00 0.00 C +ATOM 390 H LEU B 141 -8.593 3.953 3.730 1.00 0.00 H +ATOM 391 HA LEU B 141 -11.193 3.349 4.611 1.00 0.00 H +ATOM 392 HB2 LEU B 141 -10.500 4.053 2.292 1.00 0.00 H +ATOM 393 HB3 LEU B 141 -9.882 2.420 2.030 1.00 0.00 H +ATOM 394 HG LEU B 141 -12.211 1.526 2.417 1.00 0.00 H +ATOM 395 HD11 LEU B 141 -12.873 4.489 2.616 1.00 0.00 H +ATOM 396 HD12 LEU B 141 -14.079 3.251 2.231 1.00 0.00 H +ATOM 397 HD13 LEU B 141 -13.249 3.199 3.788 1.00 0.00 H +ATOM 398 HD21 LEU B 141 -11.336 2.074 0.126 1.00 0.00 H +ATOM 399 HD22 LEU B 141 -13.095 2.235 0.265 1.00 0.00 H +ATOM 400 HD23 LEU B 141 -12.072 3.685 0.274 1.00 0.00 H +ATOM 401 N SER B 142 -9.169 0.739 4.325 1.00 0.00 N +ATOM 402 CA SER B 142 -8.969 -0.647 4.729 1.00 0.00 C +ATOM 403 C SER B 142 -9.007 -0.782 6.253 1.00 0.00 C +ATOM 404 O SER B 142 -9.633 -1.692 6.783 1.00 0.00 O +ATOM 405 CB SER B 142 -7.639 -1.160 4.171 1.00 0.00 C +ATOM 406 OG SER B 142 -7.622 -0.999 2.766 1.00 0.00 O +ATOM 407 H SER B 142 -8.405 1.214 3.850 1.00 0.00 H +ATOM 408 HA SER B 142 -9.772 -1.261 4.321 1.00 0.00 H +ATOM 409 HB2 SER B 142 -6.811 -0.606 4.616 1.00 0.00 H +ATOM 410 HB3 SER B 142 -7.530 -2.216 4.423 1.00 0.00 H +ATOM 411 HG SER B 142 -6.754 -1.231 2.430 1.00 0.00 H +ATOM 412 N SER B 143 -8.313 0.109 6.961 1.00 0.00 N +ATOM 413 CA SER B 143 -8.248 0.081 8.411 1.00 0.00 C +ATOM 414 C SER B 143 -9.603 0.390 9.050 1.00 0.00 C +ATOM 415 O SER B 143 -9.940 -0.174 10.087 1.00 0.00 O +ATOM 416 CB SER B 143 -7.201 1.089 8.893 1.00 0.00 C +ATOM 417 OG SER B 143 -5.946 0.821 8.295 1.00 0.00 O +ATOM 418 H SER B 143 -7.779 0.824 6.479 1.00 0.00 H +ATOM 419 HA SER B 143 -7.942 -0.915 8.727 1.00 0.00 H +ATOM 420 HB2 SER B 143 -7.523 2.100 8.635 1.00 0.00 H +ATOM 421 HB3 SER B 143 -7.114 1.016 9.979 1.00 0.00 H +ATOM 422 HG SER B 143 -5.312 1.476 8.599 1.00 0.00 H +ATOM 423 N ASP B 144 -10.346 1.329 8.463 1.00 0.00 N +ATOM 424 CA ASP B 144 -11.605 1.807 9.011 1.00 0.00 C +ATOM 425 C ASP B 144 -12.760 0.867 8.687 1.00 0.00 C +ATOM 426 O ASP B 144 -13.482 0.426 9.579 1.00 0.00 O +ATOM 427 CB ASP B 144 -11.862 3.233 8.502 1.00 0.00 C +ATOM 428 CG ASP B 144 -13.052 3.916 9.171 1.00 0.00 C +ATOM 429 OD1 ASP B 144 -13.362 3.551 10.326 1.00 0.00 O +ATOM 430 OD2 ASP B 144 -13.601 4.834 8.526 1.00 0.00 O +ATOM 431 H ASP B 144 -9.995 1.771 7.619 1.00 0.00 H +ATOM 432 HA ASP B 144 -11.505 1.846 10.093 1.00 0.00 H +ATOM 433 HB2 ASP B 144 -10.984 3.847 8.706 1.00 0.00 H +ATOM 434 HB3 ASP B 144 -12.028 3.214 7.424 1.00 0.00 H +ATOM 435 N ALA B 145 -12.940 0.561 7.403 1.00 0.00 N +ATOM 436 CA ALA B 145 -14.036 -0.282 6.958 1.00 0.00 C +ATOM 437 C ALA B 145 -13.666 -1.765 7.075 1.00 0.00 C +ATOM 438 O ALA B 145 -12.678 -2.179 6.476 1.00 0.00 O +ATOM 439 CB ALA B 145 -14.423 0.090 5.529 1.00 0.00 C +ATOM 440 H ALA B 145 -12.284 0.916 6.715 1.00 0.00 H +ATOM 441 HA ALA B 145 -14.904 -0.051 7.564 1.00 0.00 H +ATOM 442 HB1 ALA B 145 -14.564 1.167 5.450 1.00 0.00 H +ATOM 443 HB2 ALA B 145 -13.641 -0.211 4.841 1.00 0.00 H +ATOM 444 HB3 ALA B 145 -15.351 -0.415 5.269 1.00 0.00 H +ATOM 445 N PRO B 146 -14.440 -2.581 7.815 1.00 0.00 N +ATOM 446 CA PRO B 146 -14.186 -4.007 7.980 1.00 0.00 C +ATOM 447 C PRO B 146 -13.779 -4.700 6.674 1.00 0.00 C +ATOM 448 O PRO B 146 -14.333 -5.732 6.299 1.00 0.00 O +ATOM 449 CB PRO B 146 -15.476 -4.581 8.582 1.00 0.00 C +ATOM 450 CG PRO B 146 -16.021 -3.409 9.396 1.00 0.00 C +ATOM 451 CD PRO B 146 -15.628 -2.190 8.560 1.00 0.00 C +ATOM 452 HA PRO B 146 -13.376 -4.122 8.701 1.00 0.00 H +ATOM 453 HB2 PRO B 146 -16.193 -4.822 7.796 1.00 0.00 H +ATOM 454 HB3 PRO B 146 -15.286 -5.462 9.196 1.00 0.00 H +ATOM 455 HG2 PRO B 146 -17.099 -3.476 9.551 1.00 0.00 H +ATOM 456 HG3 PRO B 146 -15.505 -3.370 10.356 1.00 0.00 H +ATOM 457 HD2 PRO B 146 -16.423 -1.934 7.857 1.00 0.00 H +ATOM 458 HD3 PRO B 146 -15.437 -1.352 9.232 1.00 0.00 H +TER 459 PRO B 146 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_CREB_1KDXB_1KDXB/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_CREB_1KDXB_1KDXB/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..67e12735e7b3046373266e1daa2e34aa27152805 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_CREB_1KDXB_1KDXB/state_b.pdb @@ -0,0 +1,462 @@ +MODEL 1 +ATOM 1 N THR B 119 -8.687 1.533 -18.744 1.00 0.00 N +ATOM 2 CA THR B 119 -7.965 2.639 -19.356 1.00 0.00 C +ATOM 3 C THR B 119 -8.019 3.845 -18.420 1.00 0.00 C +ATOM 4 O THR B 119 -6.997 4.284 -17.897 1.00 0.00 O +ATOM 5 CB THR B 119 -8.505 2.925 -20.767 1.00 0.00 C +ATOM 6 OG1 THR B 119 -8.378 1.761 -21.560 1.00 0.00 O +ATOM 7 CG2 THR B 119 -7.730 4.054 -21.459 1.00 0.00 C +ATOM 8 H THR B 119 -8.770 1.486 -17.733 1.00 0.00 H +ATOM 9 HA THR B 119 -6.923 2.341 -19.448 1.00 0.00 H +ATOM 10 HB THR B 119 -9.561 3.194 -20.704 1.00 0.00 H +ATOM 11 HG1 THR B 119 -8.843 1.890 -22.390 1.00 0.00 H +ATOM 12 HG21 THR B 119 -6.672 3.795 -21.517 1.00 0.00 H +ATOM 13 HG22 THR B 119 -8.114 4.197 -22.469 1.00 0.00 H +ATOM 14 HG23 THR B 119 -7.842 4.990 -20.910 1.00 0.00 H +ATOM 15 N ASP B 120 -9.226 4.353 -18.163 1.00 0.00 N +ATOM 16 CA ASP B 120 -9.426 5.458 -17.228 1.00 0.00 C +ATOM 17 C ASP B 120 -8.975 5.013 -15.833 1.00 0.00 C +ATOM 18 O ASP B 120 -8.339 5.759 -15.096 1.00 0.00 O +ATOM 19 CB ASP B 120 -10.898 5.891 -17.247 1.00 0.00 C +ATOM 20 CG ASP B 120 -11.170 7.095 -16.347 1.00 0.00 C +ATOM 21 OD1 ASP B 120 -10.259 7.941 -16.223 1.00 0.00 O +ATOM 22 OD2 ASP B 120 -12.305 7.162 -15.829 1.00 0.00 O +ATOM 23 H ASP B 120 -10.019 3.910 -18.599 1.00 0.00 H +ATOM 24 HA ASP B 120 -8.797 6.292 -17.547 1.00 0.00 H +ATOM 25 HB2 ASP B 120 -11.173 6.170 -18.264 1.00 0.00 H +ATOM 26 HB3 ASP B 120 -11.530 5.062 -16.927 1.00 0.00 H +ATOM 27 N SER B 121 -9.248 3.746 -15.516 1.00 0.00 N +ATOM 28 CA SER B 121 -8.800 3.056 -14.320 1.00 0.00 C +ATOM 29 C SER B 121 -7.284 3.219 -14.201 1.00 0.00 C +ATOM 30 O SER B 121 -6.782 3.794 -13.237 1.00 0.00 O +ATOM 31 CB SER B 121 -9.182 1.582 -14.505 1.00 0.00 C +ATOM 32 OG SER B 121 -8.968 1.229 -15.867 1.00 0.00 O +ATOM 33 H SER B 121 -9.704 3.161 -16.203 1.00 0.00 H +ATOM 34 HA SER B 121 -9.279 3.459 -13.427 1.00 0.00 H +ATOM 35 HB2 SER B 121 -8.596 0.947 -13.835 1.00 0.00 H +ATOM 36 HB3 SER B 121 -10.241 1.443 -14.281 1.00 0.00 H +ATOM 37 HG SER B 121 -8.258 0.572 -15.899 1.00 0.00 H +ATOM 38 N GLN B 122 -6.572 2.703 -15.206 1.00 0.00 N +ATOM 39 CA GLN B 122 -5.125 2.756 -15.317 1.00 0.00 C +ATOM 40 C GLN B 122 -4.637 4.193 -15.142 1.00 0.00 C +ATOM 41 O GLN B 122 -3.751 4.424 -14.329 1.00 0.00 O +ATOM 42 CB GLN B 122 -4.658 2.173 -16.665 1.00 0.00 C +ATOM 43 CG GLN B 122 -4.254 0.689 -16.611 1.00 0.00 C +ATOM 44 CD GLN B 122 -5.424 -0.284 -16.483 1.00 0.00 C +ATOM 45 OE1 GLN B 122 -6.532 0.085 -16.108 1.00 0.00 O +ATOM 46 NE2 GLN B 122 -5.191 -1.558 -16.793 1.00 0.00 N +ATOM 47 H GLN B 122 -7.088 2.227 -15.936 1.00 0.00 H +ATOM 48 HA GLN B 122 -4.698 2.167 -14.505 1.00 0.00 H +ATOM 49 HB2 GLN B 122 -5.416 2.318 -17.434 1.00 0.00 H +ATOM 50 HB3 GLN B 122 -3.766 2.717 -16.972 1.00 0.00 H +ATOM 51 HG2 GLN B 122 -3.723 0.458 -17.534 1.00 0.00 H +ATOM 52 HG3 GLN B 122 -3.572 0.530 -15.774 1.00 0.00 H +ATOM 53 HE21 GLN B 122 -4.283 -1.862 -17.107 1.00 0.00 H +ATOM 54 HE22 GLN B 122 -5.956 -2.212 -16.724 1.00 0.00 H +ATOM 55 N LYS B 123 -5.195 5.151 -15.888 1.00 0.00 N +ATOM 56 CA LYS B 123 -4.794 6.550 -15.803 1.00 0.00 C +ATOM 57 C LYS B 123 -4.910 7.071 -14.367 1.00 0.00 C +ATOM 58 O LYS B 123 -3.922 7.513 -13.782 1.00 0.00 O +ATOM 59 CB LYS B 123 -5.642 7.401 -16.761 1.00 0.00 C +ATOM 60 CG LYS B 123 -5.371 7.099 -18.242 1.00 0.00 C +ATOM 61 CD LYS B 123 -4.112 7.823 -18.735 1.00 0.00 C +ATOM 62 CE LYS B 123 -3.761 7.444 -20.178 1.00 0.00 C +ATOM 63 NZ LYS B 123 -4.828 7.816 -21.126 1.00 0.00 N +ATOM 64 H LYS B 123 -5.928 4.893 -16.540 1.00 0.00 H +ATOM 65 HA LYS B 123 -3.745 6.624 -16.091 1.00 0.00 H +ATOM 66 HB2 LYS B 123 -6.696 7.213 -16.556 1.00 0.00 H +ATOM 67 HB3 LYS B 123 -5.451 8.460 -16.575 1.00 0.00 H +ATOM 68 HG2 LYS B 123 -5.262 6.026 -18.395 1.00 0.00 H +ATOM 69 HG3 LYS B 123 -6.233 7.445 -18.814 1.00 0.00 H +ATOM 70 HD2 LYS B 123 -4.269 8.902 -18.667 1.00 0.00 H +ATOM 71 HD3 LYS B 123 -3.265 7.557 -18.101 1.00 0.00 H +ATOM 72 HE2 LYS B 123 -2.845 7.963 -20.466 1.00 0.00 H +ATOM 73 HE3 LYS B 123 -3.583 6.370 -20.241 1.00 0.00 H +ATOM 74 HZ1 LYS B 123 -4.997 8.811 -21.073 1.00 0.00 H +ATOM 75 HZ2 LYS B 123 -4.545 7.575 -22.065 1.00 0.00 H +ATOM 76 HZ3 LYS B 123 -5.676 7.318 -20.898 1.00 0.00 H +ATOM 77 N ARG B 124 -6.116 7.010 -13.798 1.00 0.00 N +ATOM 78 CA ARG B 124 -6.382 7.470 -12.441 1.00 0.00 C +ATOM 79 C ARG B 124 -5.430 6.798 -11.458 1.00 0.00 C +ATOM 80 O ARG B 124 -4.726 7.485 -10.725 1.00 0.00 O +ATOM 81 CB ARG B 124 -7.857 7.243 -12.092 1.00 0.00 C +ATOM 82 CG ARG B 124 -8.752 8.154 -12.949 1.00 0.00 C +ATOM 83 CD ARG B 124 -10.243 7.882 -12.733 1.00 0.00 C +ATOM 84 NE ARG B 124 -10.591 6.497 -13.078 1.00 0.00 N +ATOM 85 CZ ARG B 124 -11.824 5.980 -12.975 1.00 0.00 C +ATOM 86 NH1 ARG B 124 -12.850 6.749 -12.595 1.00 0.00 N +ATOM 87 NH2 ARG B 124 -12.030 4.692 -13.260 1.00 0.00 N +ATOM 88 H ARG B 124 -6.881 6.602 -14.326 1.00 0.00 H +ATOM 89 HA ARG B 124 -6.193 8.538 -12.348 1.00 0.00 H +ATOM 90 HB2 ARG B 124 -8.104 6.193 -12.246 1.00 0.00 H +ATOM 91 HB3 ARG B 124 -8.012 7.490 -11.041 1.00 0.00 H +ATOM 92 HG2 ARG B 124 -8.547 9.193 -12.693 1.00 0.00 H +ATOM 93 HG3 ARG B 124 -8.534 8.021 -14.008 1.00 0.00 H +ATOM 94 HD2 ARG B 124 -10.498 8.078 -11.691 1.00 0.00 H +ATOM 95 HD3 ARG B 124 -10.811 8.557 -13.375 1.00 0.00 H +ATOM 96 HE ARG B 124 -9.837 5.921 -13.430 1.00 0.00 H +ATOM 97 HH11 ARG B 124 -12.683 7.721 -12.388 1.00 0.00 H +ATOM 98 HH12 ARG B 124 -13.782 6.377 -12.517 1.00 0.00 H +ATOM 99 HH21 ARG B 124 -11.257 4.116 -13.552 1.00 0.00 H +ATOM 100 HH22 ARG B 124 -12.949 4.286 -13.168 1.00 0.00 H +ATOM 101 N ARG B 125 -5.376 5.468 -11.452 1.00 0.00 N +ATOM 102 CA ARG B 125 -4.500 4.735 -10.555 1.00 0.00 C +ATOM 103 C ARG B 125 -3.041 5.169 -10.732 1.00 0.00 C +ATOM 104 O ARG B 125 -2.394 5.548 -9.761 1.00 0.00 O +ATOM 105 CB ARG B 125 -4.707 3.227 -10.752 1.00 0.00 C +ATOM 106 CG ARG B 125 -3.929 2.407 -9.712 1.00 0.00 C +ATOM 107 CD ARG B 125 -4.436 0.960 -9.659 1.00 0.00 C +ATOM 108 NE ARG B 125 -4.260 0.282 -10.949 1.00 0.00 N +ATOM 109 CZ ARG B 125 -4.690 -0.958 -11.226 1.00 0.00 C +ATOM 110 NH1 ARG B 125 -5.341 -1.680 -10.304 1.00 0.00 N +ATOM 111 NH2 ARG B 125 -4.456 -1.473 -12.438 1.00 0.00 N +ATOM 112 H ARG B 125 -5.958 4.950 -12.102 1.00 0.00 H +ATOM 113 HA ARG B 125 -4.802 4.983 -9.536 1.00 0.00 H +ATOM 114 HB2 ARG B 125 -5.770 3.017 -10.636 1.00 0.00 H +ATOM 115 HB3 ARG B 125 -4.402 2.941 -11.760 1.00 0.00 H +ATOM 116 HG2 ARG B 125 -2.864 2.417 -9.953 1.00 0.00 H +ATOM 117 HG3 ARG B 125 -4.063 2.853 -8.726 1.00 0.00 H +ATOM 118 HD2 ARG B 125 -3.872 0.420 -8.894 1.00 0.00 H +ATOM 119 HD3 ARG B 125 -5.494 0.962 -9.384 1.00 0.00 H +ATOM 120 HE ARG B 125 -3.764 0.794 -11.665 1.00 0.00 H +ATOM 121 HH11 ARG B 125 -5.517 -1.303 -9.380 1.00 0.00 H +ATOM 122 HH12 ARG B 125 -5.659 -2.616 -10.507 1.00 0.00 H +ATOM 123 HH21 ARG B 125 -3.948 -0.932 -13.122 1.00 0.00 H +ATOM 124 HH22 ARG B 125 -4.767 -2.404 -12.673 1.00 0.00 H +ATOM 125 N GLU B 126 -2.520 5.127 -11.957 1.00 0.00 N +ATOM 126 CA GLU B 126 -1.148 5.488 -12.293 1.00 0.00 C +ATOM 127 C GLU B 126 -0.790 6.896 -11.810 1.00 0.00 C +ATOM 128 O GLU B 126 0.274 7.100 -11.224 1.00 0.00 O +ATOM 129 CB GLU B 126 -0.952 5.353 -13.812 1.00 0.00 C +ATOM 130 CG GLU B 126 0.482 5.647 -14.268 1.00 0.00 C +ATOM 131 CD GLU B 126 0.640 5.383 -15.762 1.00 0.00 C +ATOM 132 OE1 GLU B 126 0.044 6.159 -16.541 1.00 0.00 O +ATOM 133 OE2 GLU B 126 1.342 4.405 -16.097 1.00 0.00 O +ATOM 134 H GLU B 126 -3.123 4.829 -12.714 1.00 0.00 H +ATOM 135 HA GLU B 126 -0.484 4.779 -11.799 1.00 0.00 H +ATOM 136 HB2 GLU B 126 -1.193 4.331 -14.105 1.00 0.00 H +ATOM 137 HB3 GLU B 126 -1.633 6.032 -14.331 1.00 0.00 H +ATOM 138 HG2 GLU B 126 0.727 6.692 -14.084 1.00 0.00 H +ATOM 139 HG3 GLU B 126 1.178 5.013 -13.717 1.00 0.00 H +ATOM 140 N ILE B 127 -1.653 7.877 -12.076 1.00 0.00 N +ATOM 141 CA ILE B 127 -1.396 9.256 -11.684 1.00 0.00 C +ATOM 142 C ILE B 127 -1.499 9.383 -10.161 1.00 0.00 C +ATOM 143 O ILE B 127 -0.588 9.893 -9.513 1.00 0.00 O +ATOM 144 CB ILE B 127 -2.345 10.211 -12.434 1.00 0.00 C +ATOM 145 CG1 ILE B 127 -2.074 10.148 -13.951 1.00 0.00 C +ATOM 146 CG2 ILE B 127 -2.159 11.659 -11.948 1.00 0.00 C +ATOM 147 CD1 ILE B 127 -3.199 10.777 -14.782 1.00 0.00 C +ATOM 148 H ILE B 127 -2.508 7.663 -12.584 1.00 0.00 H +ATOM 149 HA ILE B 127 -0.373 9.516 -11.964 1.00 0.00 H +ATOM 150 HB ILE B 127 -3.374 9.906 -12.240 1.00 0.00 H +ATOM 151 HG12 ILE B 127 -1.135 10.656 -14.178 1.00 0.00 H +ATOM 152 HG13 ILE B 127 -1.979 9.115 -14.278 1.00 0.00 H +ATOM 153 HG21 ILE B 127 -2.366 11.744 -10.882 1.00 0.00 H +ATOM 154 HG22 ILE B 127 -1.134 11.984 -12.133 1.00 0.00 H +ATOM 155 HG23 ILE B 127 -2.844 12.327 -12.468 1.00 0.00 H +ATOM 156 HD11 ILE B 127 -4.154 10.315 -14.525 1.00 0.00 H +ATOM 157 HD12 ILE B 127 -3.258 11.851 -14.612 1.00 0.00 H +ATOM 158 HD13 ILE B 127 -2.998 10.606 -15.841 1.00 0.00 H +ATOM 159 N LEU B 128 -2.601 8.922 -9.568 1.00 0.00 N +ATOM 160 CA LEU B 128 -2.822 9.039 -8.131 1.00 0.00 C +ATOM 161 C LEU B 128 -1.768 8.260 -7.336 1.00 0.00 C +ATOM 162 O LEU B 128 -1.387 8.686 -6.251 1.00 0.00 O +ATOM 163 CB LEU B 128 -4.272 8.681 -7.784 1.00 0.00 C +ATOM 164 CG LEU B 128 -5.269 9.824 -8.085 1.00 0.00 C +ATOM 165 CD1 LEU B 128 -5.053 10.583 -9.403 1.00 0.00 C +ATOM 166 CD2 LEU B 128 -6.711 9.305 -8.080 1.00 0.00 C +ATOM 167 H LEU B 128 -3.325 8.486 -10.131 1.00 0.00 H +ATOM 168 HA LEU B 128 -2.680 10.083 -7.848 1.00 0.00 H +ATOM 169 HB2 LEU B 128 -4.560 7.754 -8.279 1.00 0.00 H +ATOM 170 HB3 LEU B 128 -4.311 8.508 -6.712 1.00 0.00 H +ATOM 171 HG LEU B 128 -5.166 10.552 -7.284 1.00 0.00 H +ATOM 172 HD11 LEU B 128 -5.113 9.908 -10.255 1.00 0.00 H +ATOM 173 HD12 LEU B 128 -5.821 11.348 -9.513 1.00 0.00 H +ATOM 174 HD13 LEU B 128 -4.089 11.087 -9.398 1.00 0.00 H +ATOM 175 HD21 LEU B 128 -6.822 8.507 -8.816 1.00 0.00 H +ATOM 176 HD22 LEU B 128 -6.971 8.937 -7.093 1.00 0.00 H +ATOM 177 HD23 LEU B 128 -7.400 10.110 -8.332 1.00 0.00 H +ATOM 178 N SER B 129 -1.221 7.168 -7.878 1.00 0.00 N +ATOM 179 CA SER B 129 -0.113 6.452 -7.244 1.00 0.00 C +ATOM 180 C SER B 129 1.123 7.359 -7.095 1.00 0.00 C +ATOM 181 O SER B 129 2.004 7.076 -6.286 1.00 0.00 O +ATOM 182 CB SER B 129 0.241 5.197 -8.046 1.00 0.00 C +ATOM 183 OG SER B 129 -0.821 4.265 -7.984 1.00 0.00 O +ATOM 184 H SER B 129 -1.556 6.850 -8.782 1.00 0.00 H +ATOM 185 HA SER B 129 -0.418 6.138 -6.245 1.00 0.00 H +ATOM 186 HB2 SER B 129 0.454 5.458 -9.082 1.00 0.00 H +ATOM 187 HB3 SER B 129 1.135 4.740 -7.623 1.00 0.00 H +ATOM 188 HG SER B 129 -1.568 4.636 -8.468 1.00 0.00 H +ATOM 189 N ARG B 130 1.190 8.460 -7.849 1.00 0.00 N +ATOM 190 CA ARG B 130 2.264 9.443 -7.788 1.00 0.00 C +ATOM 191 C ARG B 130 1.956 10.515 -6.730 1.00 0.00 C +ATOM 192 O ARG B 130 2.729 11.457 -6.568 1.00 0.00 O +ATOM 193 CB ARG B 130 2.391 10.061 -9.189 1.00 0.00 C +ATOM 194 CG ARG B 130 3.837 10.322 -9.639 1.00 0.00 C +ATOM 195 CD ARG B 130 3.860 10.669 -11.137 1.00 0.00 C +ATOM 196 NE ARG B 130 3.197 9.614 -11.921 1.00 0.00 N +ATOM 197 CZ ARG B 130 3.688 8.383 -12.116 1.00 0.00 C +ATOM 198 NH1 ARG B 130 5.008 8.169 -12.119 1.00 0.00 N +ATOM 199 NH2 ARG B 130 2.842 7.359 -12.282 1.00 0.00 N +ATOM 200 H ARG B 130 0.435 8.671 -8.493 1.00 0.00 H +ATOM 201 HA ARG B 130 3.198 8.943 -7.525 1.00 0.00 H +ATOM 202 HB2 ARG B 130 1.937 9.358 -9.886 1.00 0.00 H +ATOM 203 HB3 ARG B 130 1.820 10.990 -9.242 1.00 0.00 H +ATOM 204 HG2 ARG B 130 4.259 11.141 -9.055 1.00 0.00 H +ATOM 205 HG3 ARG B 130 4.437 9.426 -9.477 1.00 0.00 H +ATOM 206 HD2 ARG B 130 3.314 11.602 -11.287 1.00 0.00 H +ATOM 207 HD3 ARG B 130 4.886 10.827 -11.471 1.00 0.00 H +ATOM 208 HE ARG B 130 2.211 9.755 -12.090 1.00 0.00 H +ATOM 209 HH11 ARG B 130 5.633 8.947 -11.975 1.00 0.00 H +ATOM 210 HH12 ARG B 130 5.387 7.247 -12.271 1.00 0.00 H +ATOM 211 HH21 ARG B 130 1.856 7.470 -12.051 1.00 0.00 H +ATOM 212 HH22 ARG B 130 3.190 6.433 -12.474 1.00 0.00 H +ATOM 213 N ARG B 131 0.826 10.385 -6.025 1.00 0.00 N +ATOM 214 CA ARG B 131 0.324 11.296 -5.011 1.00 0.00 C +ATOM 215 C ARG B 131 -0.146 10.424 -3.839 1.00 0.00 C +ATOM 216 O ARG B 131 -1.331 10.105 -3.724 1.00 0.00 O +ATOM 217 CB ARG B 131 -0.799 12.135 -5.624 1.00 0.00 C +ATOM 218 CG ARG B 131 -0.234 13.059 -6.716 1.00 0.00 C +ATOM 219 CD ARG B 131 -1.163 14.234 -7.031 1.00 0.00 C +ATOM 220 NE ARG B 131 -1.356 15.082 -5.843 1.00 0.00 N +ATOM 221 CZ ARG B 131 -1.135 16.395 -5.706 1.00 0.00 C +ATOM 222 NH1 ARG B 131 -0.597 17.125 -6.689 1.00 0.00 N +ATOM 223 NH2 ARG B 131 -1.469 16.969 -4.547 1.00 0.00 N +ATOM 224 H ARG B 131 0.231 9.580 -6.190 1.00 0.00 H +ATOM 225 HA ARG B 131 1.091 11.993 -4.682 1.00 0.00 H +ATOM 226 HB2 ARG B 131 -1.583 11.498 -6.037 1.00 0.00 H +ATOM 227 HB3 ARG B 131 -1.228 12.718 -4.820 1.00 0.00 H +ATOM 228 HG2 ARG B 131 0.723 13.471 -6.395 1.00 0.00 H +ATOM 229 HG3 ARG B 131 -0.072 12.476 -7.625 1.00 0.00 H +ATOM 230 HD2 ARG B 131 -0.740 14.788 -7.867 1.00 0.00 H +ATOM 231 HD3 ARG B 131 -2.132 13.846 -7.347 1.00 0.00 H +ATOM 232 HE ARG B 131 -1.744 14.618 -5.031 1.00 0.00 H +ATOM 233 HH11 ARG B 131 -0.340 16.687 -7.559 1.00 0.00 H +ATOM 234 HH12 ARG B 131 -0.438 18.114 -6.572 1.00 0.00 H +ATOM 235 HH21 ARG B 131 -1.896 16.400 -3.827 1.00 0.00 H +ATOM 236 HH22 ARG B 131 -1.327 17.954 -4.386 1.00 0.00 H +ATOM 237 N PRO B 132 0.788 9.986 -2.977 1.00 0.00 N +ATOM 238 CA PRO B 132 0.527 9.018 -1.924 1.00 0.00 C +ATOM 239 C PRO B 132 -0.590 9.342 -0.930 1.00 0.00 C +ATOM 240 O PRO B 132 -0.994 8.438 -0.200 1.00 0.00 O +ATOM 241 CB PRO B 132 1.878 8.713 -1.276 1.00 0.00 C +ATOM 242 CG PRO B 132 2.732 9.927 -1.628 1.00 0.00 C +ATOM 243 CD PRO B 132 2.205 10.318 -3.005 1.00 0.00 C +ATOM 244 HA PRO B 132 0.204 8.101 -2.421 1.00 0.00 H +ATOM 245 HB2 PRO B 132 1.809 8.545 -0.201 1.00 0.00 H +ATOM 246 HB3 PRO B 132 2.303 7.842 -1.776 1.00 0.00 H +ATOM 247 HG2 PRO B 132 2.526 10.731 -0.919 1.00 0.00 H +ATOM 248 HG3 PRO B 132 3.800 9.699 -1.640 1.00 0.00 H +ATOM 249 HD2 PRO B 132 2.402 11.379 -3.150 1.00 0.00 H +ATOM 250 HD3 PRO B 132 2.702 9.733 -3.780 1.00 0.00 H +ATOM 251 N TYR B 134 -3.500 9.431 -1.781 1.00 0.00 N +ATOM 252 CA TYR B 134 -4.394 8.392 -2.284 1.00 0.00 C +ATOM 253 C TYR B 134 -4.119 7.083 -1.532 1.00 0.00 C +ATOM 254 O TYR B 134 -5.045 6.464 -1.012 1.00 0.00 O +ATOM 255 CB TYR B 134 -4.123 8.229 -3.787 1.00 0.00 C +ATOM 256 CG TYR B 134 -4.793 7.054 -4.480 1.00 0.00 C +ATOM 257 CD1 TYR B 134 -6.029 7.238 -5.128 1.00 0.00 C +ATOM 258 CD2 TYR B 134 -4.044 5.889 -4.737 1.00 0.00 C +ATOM 259 CE1 TYR B 134 -6.452 6.320 -6.108 1.00 0.00 C +ATOM 260 CE2 TYR B 134 -4.526 4.918 -5.631 1.00 0.00 C +ATOM 261 CZ TYR B 134 -5.728 5.139 -6.322 1.00 0.00 C +ATOM 262 OH TYR B 134 -6.177 4.227 -7.231 1.00 0.00 O +ATOM 263 H TYR B 134 -2.821 9.829 -2.428 1.00 0.00 H +ATOM 264 HA TYR B 134 -5.441 8.677 -2.111 1.00 0.00 H +ATOM 265 HB2 TYR B 134 -4.417 9.148 -4.296 1.00 0.00 H +ATOM 266 HB3 TYR B 134 -3.047 8.121 -3.933 1.00 0.00 H +ATOM 267 HD1 TYR B 134 -6.572 8.161 -4.990 1.00 0.00 H +ATOM 268 HD2 TYR B 134 -3.067 5.760 -4.293 1.00 0.00 H +ATOM 269 HE1 TYR B 134 -7.275 6.560 -6.767 1.00 0.00 H +ATOM 270 HE2 TYR B 134 -3.929 4.043 -5.837 1.00 0.00 H +ATOM 271 HH TYR B 134 -5.651 3.427 -7.243 1.00 0.00 H +ATOM 272 N ARG B 135 -2.850 6.666 -1.437 1.00 0.00 N +ATOM 273 CA ARG B 135 -2.491 5.457 -0.703 1.00 0.00 C +ATOM 274 C ARG B 135 -2.908 5.580 0.761 1.00 0.00 C +ATOM 275 O ARG B 135 -3.441 4.629 1.326 1.00 0.00 O +ATOM 276 CB ARG B 135 -0.996 5.136 -0.785 1.00 0.00 C +ATOM 277 CG ARG B 135 -0.574 4.633 -2.166 1.00 0.00 C +ATOM 278 CD ARG B 135 0.802 3.966 -2.040 1.00 0.00 C +ATOM 279 NE ARG B 135 1.321 3.528 -3.340 1.00 0.00 N +ATOM 280 CZ ARG B 135 1.872 4.347 -4.245 1.00 0.00 C +ATOM 281 NH1 ARG B 135 1.933 5.660 -4.014 1.00 0.00 N +ATOM 282 NH2 ARG B 135 2.360 3.849 -5.385 1.00 0.00 N +ATOM 283 H ARG B 135 -2.118 7.241 -1.827 1.00 0.00 H +ATOM 284 HA ARG B 135 -3.040 4.620 -1.137 1.00 0.00 H +ATOM 285 HB2 ARG B 135 -0.396 6.000 -0.501 1.00 0.00 H +ATOM 286 HB3 ARG B 135 -0.802 4.339 -0.064 1.00 0.00 H +ATOM 287 HG2 ARG B 135 -1.288 3.889 -2.524 1.00 0.00 H +ATOM 288 HG3 ARG B 135 -0.555 5.467 -2.869 1.00 0.00 H +ATOM 289 HD2 ARG B 135 1.513 4.643 -1.564 1.00 0.00 H +ATOM 290 HD3 ARG B 135 0.709 3.082 -1.407 1.00 0.00 H +ATOM 291 HE ARG B 135 1.256 2.540 -3.546 1.00 0.00 H +ATOM 292 HH11 ARG B 135 1.576 6.034 -3.151 1.00 0.00 H +ATOM 293 HH12 ARG B 135 2.231 6.296 -4.751 1.00 0.00 H +ATOM 294 HH21 ARG B 135 2.322 2.856 -5.559 1.00 0.00 H +ATOM 295 HH22 ARG B 135 2.801 4.462 -6.054 1.00 0.00 H +ATOM 296 N LYS B 136 -2.677 6.742 1.379 1.00 0.00 N +ATOM 297 CA LYS B 136 -3.091 6.943 2.761 1.00 0.00 C +ATOM 298 C LYS B 136 -4.605 6.740 2.870 1.00 0.00 C +ATOM 299 O LYS B 136 -5.066 6.066 3.789 1.00 0.00 O +ATOM 300 CB LYS B 136 -2.633 8.303 3.302 1.00 0.00 C +ATOM 301 CG LYS B 136 -1.099 8.385 3.332 1.00 0.00 C +ATOM 302 CD LYS B 136 -0.543 9.711 3.877 1.00 0.00 C +ATOM 303 CE LYS B 136 -0.729 9.897 5.391 1.00 0.00 C +ATOM 304 NZ LYS B 136 -2.027 10.504 5.736 1.00 0.00 N +ATOM 305 H LYS B 136 -2.230 7.496 0.865 1.00 0.00 H +ATOM 306 HA LYS B 136 -2.617 6.171 3.371 1.00 0.00 H +ATOM 307 HB2 LYS B 136 -3.046 9.112 2.700 1.00 0.00 H +ATOM 308 HB3 LYS B 136 -3.018 8.384 4.316 1.00 0.00 H +ATOM 309 HG2 LYS B 136 -0.706 7.558 3.927 1.00 0.00 H +ATOM 310 HG3 LYS B 136 -0.723 8.268 2.316 1.00 0.00 H +ATOM 311 HD2 LYS B 136 0.531 9.700 3.683 1.00 0.00 H +ATOM 312 HD3 LYS B 136 -0.969 10.554 3.331 1.00 0.00 H +ATOM 313 HE2 LYS B 136 -0.617 8.942 5.906 1.00 0.00 H +ATOM 314 HE3 LYS B 136 0.050 10.571 5.753 1.00 0.00 H +ATOM 315 HZ1 LYS B 136 -2.112 11.403 5.284 1.00 0.00 H +ATOM 316 HZ2 LYS B 136 -2.784 9.908 5.439 1.00 0.00 H +ATOM 317 HZ3 LYS B 136 -2.081 10.630 6.737 1.00 0.00 H +ATOM 318 N ILE B 137 -5.379 7.275 1.920 1.00 0.00 N +ATOM 319 CA ILE B 137 -6.823 7.070 1.897 1.00 0.00 C +ATOM 320 C ILE B 137 -7.128 5.576 1.738 1.00 0.00 C +ATOM 321 O ILE B 137 -7.963 5.067 2.480 1.00 0.00 O +ATOM 322 CB ILE B 137 -7.504 7.949 0.833 1.00 0.00 C +ATOM 323 CG1 ILE B 137 -7.388 9.430 1.237 1.00 0.00 C +ATOM 324 CG2 ILE B 137 -8.993 7.592 0.703 1.00 0.00 C +ATOM 325 CD1 ILE B 137 -7.529 10.362 0.035 1.00 0.00 C +ATOM 326 H ILE B 137 -4.948 7.817 1.175 1.00 0.00 H +ATOM 327 HA ILE B 137 -7.218 7.380 2.865 1.00 0.00 H +ATOM 328 HB ILE B 137 -7.023 7.790 -0.131 1.00 0.00 H +ATOM 329 HG12 ILE B 137 -8.159 9.669 1.970 1.00 0.00 H +ATOM 330 HG13 ILE B 137 -6.421 9.635 1.695 1.00 0.00 H +ATOM 331 HG21 ILE B 137 -9.130 6.544 0.451 1.00 0.00 H +ATOM 332 HG22 ILE B 137 -9.511 7.788 1.641 1.00 0.00 H +ATOM 333 HG23 ILE B 137 -9.449 8.179 -0.091 1.00 0.00 H +ATOM 334 HD11 ILE B 137 -8.390 10.098 -0.573 1.00 0.00 H +ATOM 335 HD12 ILE B 137 -7.650 11.382 0.394 1.00 0.00 H +ATOM 336 HD13 ILE B 137 -6.630 10.299 -0.574 1.00 0.00 H +ATOM 337 N LEU B 138 -6.471 4.859 0.814 1.00 0.00 N +ATOM 338 CA LEU B 138 -6.681 3.415 0.659 1.00 0.00 C +ATOM 339 C LEU B 138 -6.476 2.733 2.014 1.00 0.00 C +ATOM 340 O LEU B 138 -7.358 2.032 2.508 1.00 0.00 O +ATOM 341 CB LEU B 138 -5.710 2.781 -0.363 1.00 0.00 C +ATOM 342 CG LEU B 138 -6.178 2.653 -1.823 1.00 0.00 C +ATOM 343 CD1 LEU B 138 -7.450 1.805 -1.960 1.00 0.00 C +ATOM 344 CD2 LEU B 138 -6.300 4.010 -2.518 1.00 0.00 C +ATOM 345 H LEU B 138 -5.793 5.331 0.224 1.00 0.00 H +ATOM 346 HA LEU B 138 -7.714 3.243 0.362 1.00 0.00 H +ATOM 347 HB2 LEU B 138 -4.763 3.313 -0.347 1.00 0.00 H +ATOM 348 HB3 LEU B 138 -5.505 1.760 -0.038 1.00 0.00 H +ATOM 349 HG LEU B 138 -5.395 2.109 -2.354 1.00 0.00 H +ATOM 350 HD11 LEU B 138 -7.301 0.841 -1.473 1.00 0.00 H +ATOM 351 HD12 LEU B 138 -8.310 2.296 -1.514 1.00 0.00 H +ATOM 352 HD13 LEU B 138 -7.656 1.633 -3.015 1.00 0.00 H +ATOM 353 HD21 LEU B 138 -6.919 4.684 -1.937 1.00 0.00 H +ATOM 354 HD22 LEU B 138 -5.308 4.445 -2.620 1.00 0.00 H +ATOM 355 HD23 LEU B 138 -6.730 3.887 -3.513 1.00 0.00 H +ATOM 356 N ASN B 139 -5.303 2.945 2.617 1.00 0.00 N +ATOM 357 CA ASN B 139 -4.959 2.354 3.901 1.00 0.00 C +ATOM 358 C ASN B 139 -6.032 2.686 4.929 1.00 0.00 C +ATOM 359 O ASN B 139 -6.498 1.788 5.625 1.00 0.00 O +ATOM 360 CB ASN B 139 -3.584 2.837 4.377 1.00 0.00 C +ATOM 361 CG ASN B 139 -2.989 2.010 5.524 1.00 0.00 C +ATOM 362 OD1 ASN B 139 -1.772 1.966 5.661 1.00 0.00 O +ATOM 363 ND2 ASN B 139 -3.782 1.339 6.361 1.00 0.00 N +ATOM 364 H ASN B 139 -4.628 3.546 2.158 1.00 0.00 H +ATOM 365 HA ASN B 139 -4.917 1.273 3.765 1.00 0.00 H +ATOM 366 HB2 ASN B 139 -2.888 2.776 3.539 1.00 0.00 H +ATOM 367 HB3 ASN B 139 -3.643 3.881 4.690 1.00 0.00 H +ATOM 368 HD21 ASN B 139 -4.799 1.324 6.304 1.00 0.00 H +ATOM 369 HD22 ASN B 139 -3.334 0.804 7.088 1.00 0.00 H +ATOM 370 N ASP B 140 -6.417 3.957 5.038 1.00 0.00 N +ATOM 371 CA ASP B 140 -7.431 4.386 5.985 1.00 0.00 C +ATOM 372 C ASP B 140 -8.746 3.653 5.727 1.00 0.00 C +ATOM 373 O ASP B 140 -9.369 3.165 6.663 1.00 0.00 O +ATOM 374 CB ASP B 140 -7.612 5.905 5.919 1.00 0.00 C +ATOM 375 CG ASP B 140 -8.639 6.385 6.940 1.00 0.00 C +ATOM 376 OD1 ASP B 140 -8.493 6.007 8.122 1.00 0.00 O +ATOM 377 OD2 ASP B 140 -9.552 7.127 6.521 1.00 0.00 O +ATOM 378 H ASP B 140 -5.989 4.652 4.438 1.00 0.00 H +ATOM 379 HA ASP B 140 -7.081 4.124 6.985 1.00 0.00 H +ATOM 380 HB2 ASP B 140 -6.662 6.395 6.129 1.00 0.00 H +ATOM 381 HB3 ASP B 140 -7.942 6.190 4.920 1.00 0.00 H +ATOM 382 N LEU B 141 -9.162 3.548 4.463 1.00 0.00 N +ATOM 383 CA LEU B 141 -10.384 2.856 4.080 1.00 0.00 C +ATOM 384 C LEU B 141 -10.315 1.394 4.529 1.00 0.00 C +ATOM 385 O LEU B 141 -11.290 0.855 5.052 1.00 0.00 O +ATOM 386 CB LEU B 141 -10.628 3.005 2.568 1.00 0.00 C +ATOM 387 CG LEU B 141 -12.032 2.560 2.120 1.00 0.00 C +ATOM 388 CD1 LEU B 141 -13.129 3.436 2.733 1.00 0.00 C +ATOM 389 CD2 LEU B 141 -12.138 2.645 0.592 1.00 0.00 C +ATOM 390 H LEU B 141 -8.593 3.953 3.730 1.00 0.00 H +ATOM 391 HA LEU B 141 -11.193 3.349 4.611 1.00 0.00 H +ATOM 392 HB2 LEU B 141 -10.500 4.053 2.292 1.00 0.00 H +ATOM 393 HB3 LEU B 141 -9.882 2.420 2.030 1.00 0.00 H +ATOM 394 HG LEU B 141 -12.211 1.526 2.417 1.00 0.00 H +ATOM 395 HD11 LEU B 141 -12.873 4.489 2.616 1.00 0.00 H +ATOM 396 HD12 LEU B 141 -14.079 3.251 2.231 1.00 0.00 H +ATOM 397 HD13 LEU B 141 -13.249 3.199 3.788 1.00 0.00 H +ATOM 398 HD21 LEU B 141 -11.336 2.074 0.126 1.00 0.00 H +ATOM 399 HD22 LEU B 141 -13.095 2.235 0.265 1.00 0.00 H +ATOM 400 HD23 LEU B 141 -12.072 3.685 0.274 1.00 0.00 H +ATOM 401 N SER B 142 -9.169 0.739 4.325 1.00 0.00 N +ATOM 402 CA SER B 142 -8.969 -0.647 4.729 1.00 0.00 C +ATOM 403 C SER B 142 -9.007 -0.782 6.253 1.00 0.00 C +ATOM 404 O SER B 142 -9.633 -1.692 6.783 1.00 0.00 O +ATOM 405 CB SER B 142 -7.639 -1.160 4.171 1.00 0.00 C +ATOM 406 OG SER B 142 -7.622 -0.999 2.766 1.00 0.00 O +ATOM 407 H SER B 142 -8.405 1.214 3.850 1.00 0.00 H +ATOM 408 HA SER B 142 -9.772 -1.261 4.321 1.00 0.00 H +ATOM 409 HB2 SER B 142 -6.811 -0.606 4.616 1.00 0.00 H +ATOM 410 HB3 SER B 142 -7.530 -2.216 4.423 1.00 0.00 H +ATOM 411 HG SER B 142 -6.754 -1.231 2.430 1.00 0.00 H +ATOM 412 N SER B 143 -8.313 0.109 6.961 1.00 0.00 N +ATOM 413 CA SER B 143 -8.248 0.081 8.411 1.00 0.00 C +ATOM 414 C SER B 143 -9.603 0.390 9.050 1.00 0.00 C +ATOM 415 O SER B 143 -9.940 -0.174 10.087 1.00 0.00 O +ATOM 416 CB SER B 143 -7.201 1.089 8.893 1.00 0.00 C +ATOM 417 OG SER B 143 -5.946 0.821 8.295 1.00 0.00 O +ATOM 418 H SER B 143 -7.779 0.824 6.479 1.00 0.00 H +ATOM 419 HA SER B 143 -7.942 -0.915 8.727 1.00 0.00 H +ATOM 420 HB2 SER B 143 -7.523 2.100 8.635 1.00 0.00 H +ATOM 421 HB3 SER B 143 -7.114 1.016 9.979 1.00 0.00 H +ATOM 422 HG SER B 143 -5.312 1.476 8.599 1.00 0.00 H +ATOM 423 N ASP B 144 -10.346 1.329 8.463 1.00 0.00 N +ATOM 424 CA ASP B 144 -11.605 1.807 9.011 1.00 0.00 C +ATOM 425 C ASP B 144 -12.760 0.867 8.687 1.00 0.00 C +ATOM 426 O ASP B 144 -13.482 0.426 9.579 1.00 0.00 O +ATOM 427 CB ASP B 144 -11.862 3.233 8.502 1.00 0.00 C +ATOM 428 CG ASP B 144 -13.052 3.916 9.171 1.00 0.00 C +ATOM 429 OD1 ASP B 144 -13.362 3.551 10.326 1.00 0.00 O +ATOM 430 OD2 ASP B 144 -13.601 4.834 8.526 1.00 0.00 O +ATOM 431 H ASP B 144 -9.995 1.771 7.619 1.00 0.00 H +ATOM 432 HA ASP B 144 -11.505 1.846 10.093 1.00 0.00 H +ATOM 433 HB2 ASP B 144 -10.984 3.847 8.706 1.00 0.00 H +ATOM 434 HB3 ASP B 144 -12.028 3.214 7.424 1.00 0.00 H +ATOM 435 N ALA B 145 -12.940 0.561 7.403 1.00 0.00 N +ATOM 436 CA ALA B 145 -14.036 -0.282 6.958 1.00 0.00 C +ATOM 437 C ALA B 145 -13.666 -1.765 7.075 1.00 0.00 C +ATOM 438 O ALA B 145 -12.678 -2.179 6.476 1.00 0.00 O +ATOM 439 CB ALA B 145 -14.423 0.090 5.529 1.00 0.00 C +ATOM 440 H ALA B 145 -12.284 0.916 6.715 1.00 0.00 H +ATOM 441 HA ALA B 145 -14.904 -0.051 7.564 1.00 0.00 H +ATOM 442 HB1 ALA B 145 -14.564 1.167 5.450 1.00 0.00 H +ATOM 443 HB2 ALA B 145 -13.641 -0.211 4.841 1.00 0.00 H +ATOM 444 HB3 ALA B 145 -15.351 -0.415 5.269 1.00 0.00 H +ATOM 445 N PRO B 146 -14.440 -2.581 7.815 1.00 0.00 N +ATOM 446 CA PRO B 146 -14.186 -4.007 7.980 1.00 0.00 C +ATOM 447 C PRO B 146 -13.779 -4.700 6.674 1.00 0.00 C +ATOM 448 O PRO B 146 -14.333 -5.732 6.299 1.00 0.00 O +ATOM 449 CB PRO B 146 -15.476 -4.581 8.582 1.00 0.00 C +ATOM 450 CG PRO B 146 -16.021 -3.409 9.396 1.00 0.00 C +ATOM 451 CD PRO B 146 -15.628 -2.190 8.560 1.00 0.00 C +ATOM 452 HA PRO B 146 -13.376 -4.122 8.701 1.00 0.00 H +ATOM 453 HB2 PRO B 146 -16.193 -4.822 7.796 1.00 0.00 H +ATOM 454 HB3 PRO B 146 -15.286 -5.462 9.196 1.00 0.00 H +ATOM 455 HG2 PRO B 146 -17.099 -3.476 9.551 1.00 0.00 H +ATOM 456 HG3 PRO B 146 -15.505 -3.370 10.356 1.00 0.00 H +ATOM 457 HD2 PRO B 146 -16.423 -1.934 7.857 1.00 0.00 H +ATOM 458 HD3 PRO B 146 -15.437 -1.352 9.232 1.00 0.00 H +TER 459 PRO B 146 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_EIF4E_1WKWB_1WKWB/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_EIF4E_1WKWB_1WKWB/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5ab11aa0f8c6467fdf7c1a42a75d547f81a0075a --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_EIF4E_1WKWB_1WKWB/state_a.pdb @@ -0,0 +1,166 @@ +ATOM 1 N PRO B 47 70.478 -68.715 33.157 1.00 46.61 N +ATOM 2 CA PRO B 47 70.150 -68.072 31.879 1.00 46.78 C +ATOM 3 C PRO B 47 71.327 -67.405 31.181 1.00 46.69 C +ATOM 4 O PRO B 47 72.121 -68.056 30.487 1.00 45.93 O +ATOM 5 CB PRO B 47 69.080 -67.048 32.269 1.00 47.19 C +ATOM 6 CG PRO B 47 69.414 -66.725 33.689 1.00 47.34 C +ATOM 7 CD PRO B 47 69.696 -68.113 34.248 1.00 46.87 C +ATOM 8 N GLY B 48 71.410 -66.092 31.378 1.00 46.16 N +ATOM 9 CA GLY B 48 72.454 -65.284 30.786 1.00 45.02 C +ATOM 10 C GLY B 48 72.026 -63.842 30.968 1.00 44.53 C +ATOM 11 O GLY B 48 70.921 -63.587 31.458 1.00 44.32 O +ATOM 12 N GLY B 49 72.888 -62.900 30.593 1.00 43.76 N +ATOM 13 CA GLY B 49 72.540 -61.499 30.720 1.00 42.71 C +ATOM 14 C GLY B 49 72.255 -60.877 29.366 1.00 42.26 C +ATOM 15 O GLY B 49 72.804 -61.311 28.344 1.00 42.99 O +ATOM 16 N THR B 50 71.394 -59.863 29.348 1.00 40.93 N +ATOM 17 CA THR B 50 71.055 -59.170 28.106 1.00 39.73 C +ATOM 18 C THR B 50 72.302 -58.575 27.452 1.00 37.87 C +ATOM 19 O THR B 50 72.862 -59.122 26.493 1.00 37.45 O +ATOM 20 CB THR B 50 70.059 -58.001 28.355 1.00 40.22 C +ATOM 21 OG1 THR B 50 70.541 -57.179 29.428 1.00 40.03 O +ATOM 22 CG2 THR B 50 68.670 -58.530 28.696 1.00 40.28 C +ATOM 23 N ARG B 51 72.733 -57.448 27.991 1.00 36.17 N +ATOM 24 CA ARG B 51 73.887 -56.758 27.464 1.00 35.00 C +ATOM 25 C ARG B 51 73.721 -56.271 26.016 1.00 32.52 C +ATOM 26 O ARG B 51 72.826 -56.686 25.276 1.00 31.45 O +ATOM 27 CB ARG B 51 75.132 -57.619 27.609 1.00 36.55 C +ATOM 28 CG ARG B 51 75.749 -57.564 29.007 1.00 38.08 C +ATOM 29 CD ARG B 51 76.288 -56.172 29.375 1.00 38.35 C +ATOM 30 NE ARG B 51 77.505 -55.810 28.643 1.00 39.51 N +ATOM 31 CZ ARG B 51 78.481 -55.045 29.138 1.00 40.39 C +ATOM 32 NH1 ARG B 51 78.392 -54.567 30.375 1.00 39.81 N +ATOM 33 NH2 ARG B 51 79.538 -54.736 28.391 1.00 39.62 N +ATOM 34 N ILE B 52 74.622 -55.368 25.657 1.00 30.19 N +ATOM 35 CA ILE B 52 74.672 -54.674 24.385 1.00 27.41 C +ATOM 36 C ILE B 52 74.637 -55.399 23.050 1.00 25.43 C +ATOM 37 O ILE B 52 75.566 -56.122 22.695 1.00 23.73 O +ATOM 38 CB ILE B 52 75.896 -53.756 24.359 1.00 27.11 C +ATOM 39 CG1 ILE B 52 76.599 -53.775 25.726 1.00 28.02 C +ATOM 40 CG2 ILE B 52 75.467 -52.357 23.957 1.00 27.88 C +ATOM 41 CD1 ILE B 52 75.800 -53.191 26.882 1.00 27.72 C +ATOM 42 N ILE B 53 73.566 -55.149 22.300 1.00 23.59 N +ATOM 43 CA ILE B 53 73.372 -55.710 20.967 1.00 23.40 C +ATOM 44 C ILE B 53 72.996 -54.563 20.035 1.00 22.94 C +ATOM 45 O ILE B 53 72.010 -53.859 20.275 1.00 22.34 O +ATOM 46 CB ILE B 53 72.223 -56.746 20.935 1.00 23.06 C +ATOM 47 CG1 ILE B 53 72.546 -57.915 21.868 1.00 23.21 C +ATOM 48 CG2 ILE B 53 72.012 -57.247 19.504 1.00 22.26 C +ATOM 49 CD1 ILE B 53 71.461 -58.953 21.937 1.00 24.34 C +ATOM 50 N TYR B 54 73.791 -54.354 18.990 1.00 21.36 N +ATOM 51 CA TYR B 54 73.490 -53.305 18.031 1.00 19.83 C +ATOM 52 C TYR B 54 73.137 -53.906 16.683 1.00 21.19 C +ATOM 53 O TYR B 54 73.728 -54.902 16.253 1.00 21.77 O +ATOM 54 CB TYR B 54 74.670 -52.365 17.847 1.00 18.28 C +ATOM 55 CG TYR B 54 75.049 -51.616 19.081 1.00 16.28 C +ATOM 56 CD1 TYR B 54 76.076 -52.068 19.898 1.00 15.68 C +ATOM 57 CD2 TYR B 54 74.383 -50.447 19.439 1.00 15.13 C +ATOM 58 CE1 TYR B 54 76.437 -51.370 21.039 1.00 16.21 C +ATOM 59 CE2 TYR B 54 74.732 -49.746 20.578 1.00 14.22 C +ATOM 60 CZ TYR B 54 75.761 -50.212 21.372 1.00 14.92 C +ATOM 61 OH TYR B 54 76.128 -49.524 22.498 1.00 14.02 O +ATOM 62 N ASP B 55 72.169 -53.294 16.016 1.00 21.94 N +ATOM 63 CA ASP B 55 71.760 -53.766 14.714 1.00 22.70 C +ATOM 64 C ASP B 55 72.538 -52.974 13.670 1.00 22.76 C +ATOM 65 O ASP B 55 73.113 -51.927 13.971 1.00 20.47 O +ATOM 66 CB ASP B 55 70.269 -53.543 14.510 1.00 24.66 C +ATOM 67 CG ASP B 55 69.989 -52.363 13.618 1.00 29.18 C +ATOM 68 OD1 ASP B 55 70.184 -51.222 14.079 1.00 31.17 O +ATOM 69 OD2 ASP B 55 69.602 -52.573 12.445 1.00 33.06 O +ATOM 70 N ARG B 56 72.554 -53.483 12.445 1.00 22.04 N +ATOM 71 CA ARG B 56 73.243 -52.832 11.340 1.00 22.52 C +ATOM 72 C ARG B 56 72.990 -51.319 11.298 1.00 22.00 C +ATOM 73 O ARG B 56 73.866 -50.517 11.603 1.00 19.03 O +ATOM 74 CB ARG B 56 72.776 -53.440 10.020 1.00 24.19 C +ATOM 75 CG ARG B 56 73.016 -52.533 8.843 1.00 27.98 C +ATOM 76 CD ARG B 56 74.468 -52.558 8.436 1.00 32.08 C +ATOM 77 NE ARG B 56 74.724 -53.727 7.607 1.00 34.91 N +ATOM 78 CZ ARG B 56 74.068 -53.974 6.480 1.00 36.87 C +ATOM 79 NH1 ARG B 56 73.136 -53.128 6.068 1.00 37.62 N +ATOM 80 NH2 ARG B 56 74.328 -55.069 5.775 1.00 38.57 N +ATOM 81 N LYS B 57 71.772 -50.959 10.910 1.00 21.92 N +ATOM 82 CA LYS B 57 71.340 -49.574 10.772 1.00 21.64 C +ATOM 83 C LYS B 57 71.901 -48.647 11.837 1.00 20.18 C +ATOM 84 O LYS B 57 72.465 -47.611 11.517 1.00 19.79 O +ATOM 85 CB LYS B 57 69.810 -49.511 10.783 1.00 23.80 C +ATOM 86 CG LYS B 57 69.139 -50.683 10.065 1.00 27.75 C +ATOM 87 CD LYS B 57 69.677 -50.880 8.653 1.00 31.66 C +ATOM 88 CE LYS B 57 69.062 -52.104 7.990 1.00 33.37 C +ATOM 89 NZ LYS B 57 69.564 -52.304 6.603 1.00 33.89 N +ATOM 90 N PHE B 58 71.745 -49.022 13.099 1.00 19.40 N +ATOM 91 CA PHE B 58 72.246 -48.209 14.199 1.00 20.14 C +ATOM 92 C PHE B 58 73.750 -47.946 14.063 1.00 18.53 C +ATOM 93 O PHE B 58 74.192 -46.796 14.075 1.00 18.66 O +ATOM 94 CB PHE B 58 71.975 -48.891 15.547 1.00 22.48 C +ATOM 95 CG PHE B 58 72.316 -48.027 16.732 1.00 24.08 C +ATOM 96 CD1 PHE B 58 71.432 -47.041 17.168 1.00 24.71 C +ATOM 97 CD2 PHE B 58 73.547 -48.154 17.371 1.00 23.63 C +ATOM 98 CE1 PHE B 58 71.774 -46.191 18.223 1.00 25.62 C +ATOM 99 CE2 PHE B 58 73.899 -47.309 18.426 1.00 24.41 C +ATOM 100 CZ PHE B 58 73.016 -46.327 18.853 1.00 25.16 C +ATOM 101 N LEU B 59 74.533 -49.011 13.944 1.00 17.32 N +ATOM 102 CA LEU B 59 75.982 -48.882 13.800 1.00 15.34 C +ATOM 103 C LEU B 59 76.336 -47.984 12.622 1.00 15.28 C +ATOM 104 O LEU B 59 77.187 -47.117 12.737 1.00 14.10 O +ATOM 105 CB LEU B 59 76.609 -50.258 13.614 1.00 15.29 C +ATOM 106 CG LEU B 59 76.438 -51.203 14.798 1.00 15.90 C +ATOM 107 CD1 LEU B 59 77.057 -52.555 14.473 1.00 14.03 C +ATOM 108 CD2 LEU B 59 77.087 -50.581 16.035 1.00 13.88 C +ATOM 109 N MET B 60 75.676 -48.197 11.487 1.00 18.04 N +ATOM 110 CA MET B 60 75.914 -47.385 10.290 1.00 19.58 C +ATOM 111 C MET B 60 75.445 -45.960 10.558 1.00 21.17 C +ATOM 112 O MET B 60 76.101 -45.000 10.167 1.00 21.84 O +ATOM 113 CB MET B 60 75.145 -47.947 9.090 1.00 19.52 C +ATOM 114 CG MET B 60 75.586 -49.326 8.663 1.00 20.23 C +ATOM 115 SD MET B 60 77.305 -49.340 8.094 1.00 23.44 S +ATOM 116 CE MET B 60 77.164 -50.190 6.508 1.00 25.14 C +ATOM 117 N GLU B 61 74.301 -45.850 11.231 1.00 24.09 N +ATOM 118 CA GLU B 61 73.685 -44.575 11.603 1.00 27.31 C +ATOM 119 C GLU B 61 74.702 -43.755 12.388 1.00 29.39 C +ATOM 120 O GLU B 61 74.802 -42.542 12.216 1.00 28.34 O +ATOM 121 CB GLU B 61 72.450 -44.842 12.468 1.00 28.00 C +ATOM 122 CG GLU B 61 71.322 -43.825 12.363 1.00 28.77 C +ATOM 123 CD GLU B 61 70.027 -44.342 12.988 1.00 29.68 C +ATOM 124 OE1 GLU B 61 69.008 -43.616 12.975 1.00 32.16 O +ATOM 125 OE2 GLU B 61 70.021 -45.483 13.496 1.00 29.66 O +ATOM 126 N CYS B 62 75.454 -44.423 13.263 1.00 32.47 N +ATOM 127 CA CYS B 62 76.489 -43.755 14.043 1.00 34.44 C +ATOM 128 C CYS B 62 77.525 -43.243 13.054 1.00 36.05 C +ATOM 129 O CYS B 62 78.669 -42.955 13.407 1.00 35.03 O +ATOM 130 CB CYS B 62 77.143 -44.720 15.037 1.00 34.59 C +ATOM 131 SG CYS B 62 76.238 -44.871 16.596 1.00 34.26 S +ATOM 132 N ARG B 63 77.092 -43.165 11.800 1.00 38.00 N +ATOM 133 CA ARG B 63 77.898 -42.659 10.699 1.00 39.70 C +ATOM 134 C ARG B 63 79.179 -43.432 10.482 1.00 40.31 C +ATOM 135 O ARG B 63 79.391 -44.514 11.044 1.00 39.11 O +ATOM 136 CB ARG B 63 78.249 -41.191 10.949 1.00 38.50 C +ATOM 137 CG ARG B 63 77.054 -40.301 11.182 1.00 38.77 C +ATOM 138 CD ARG B 63 77.337 -39.273 12.265 1.00 39.08 C +ATOM 139 NE ARG B 63 78.063 -38.111 11.760 1.00 39.91 N +ATOM 140 CZ ARG B 63 79.321 -38.128 11.325 1.00 40.06 C +ATOM 141 NH1 ARG B 63 80.024 -39.256 11.330 1.00 39.55 N +ATOM 142 NH2 ARG B 63 79.878 -37.005 10.881 1.00 40.51 N +ATOM 143 N ASN B 64 80.029 -42.833 9.653 1.00 42.04 N +ATOM 144 CA ASN B 64 81.332 -43.373 9.319 1.00 43.61 C +ATOM 145 C ASN B 64 81.282 -44.394 8.171 1.00 43.87 C +ATOM 146 O ASN B 64 80.304 -45.122 8.008 1.00 43.18 O +ATOM 147 CB ASN B 64 81.960 -43.947 10.596 1.00 44.58 C +ATOM 148 CG ASN B 64 81.847 -42.976 11.795 1.00 45.39 C +ATOM 149 OD1 ASN B 64 80.747 -42.546 12.165 1.00 45.67 O +ATOM 150 ND2 ASN B 64 82.986 -42.636 12.400 1.00 45.04 N +ATOM 151 N SER B 65 82.345 -44.397 7.366 1.00 44.70 N +ATOM 152 CA SER B 65 82.504 -45.262 6.192 1.00 45.27 C +ATOM 153 C SER B 65 81.222 -45.880 5.621 1.00 46.19 C +ATOM 154 O SER B 65 80.792 -46.950 6.064 1.00 46.02 O +ATOM 155 CB SER B 65 83.523 -46.354 6.501 1.00 45.73 C +ATOM 156 OG SER B 65 84.829 -45.807 6.673 1.00 44.57 O +ATOM 157 N PRO B 66 80.601 -45.213 4.615 1.00 46.95 N +ATOM 158 CA PRO B 66 79.360 -45.679 3.971 1.00 47.20 C +ATOM 159 C PRO B 66 79.553 -46.666 2.810 1.00 47.57 C +ATOM 160 O PRO B 66 80.713 -46.871 2.364 1.00 47.07 O +ATOM 161 CB PRO B 66 78.713 -44.376 3.501 1.00 46.78 C +ATOM 162 CG PRO B 66 79.916 -43.601 3.027 1.00 47.29 C +ATOM 163 CD PRO B 66 80.939 -43.847 4.153 1.00 47.43 C +ATOM 164 OXT PRO B 66 78.521 -47.216 2.351 1.00 47.58 O +TER 165 PRO B 66 +END diff --git a/bench/main_benchmark/structures/SFB_ID_EIF4E_1WKWB_1WKWB/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_EIF4E_1WKWB_1WKWB/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5ab11aa0f8c6467fdf7c1a42a75d547f81a0075a --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_EIF4E_1WKWB_1WKWB/state_b.pdb @@ -0,0 +1,166 @@ +ATOM 1 N PRO B 47 70.478 -68.715 33.157 1.00 46.61 N +ATOM 2 CA PRO B 47 70.150 -68.072 31.879 1.00 46.78 C +ATOM 3 C PRO B 47 71.327 -67.405 31.181 1.00 46.69 C +ATOM 4 O PRO B 47 72.121 -68.056 30.487 1.00 45.93 O +ATOM 5 CB PRO B 47 69.080 -67.048 32.269 1.00 47.19 C +ATOM 6 CG PRO B 47 69.414 -66.725 33.689 1.00 47.34 C +ATOM 7 CD PRO B 47 69.696 -68.113 34.248 1.00 46.87 C +ATOM 8 N GLY B 48 71.410 -66.092 31.378 1.00 46.16 N +ATOM 9 CA GLY B 48 72.454 -65.284 30.786 1.00 45.02 C +ATOM 10 C GLY B 48 72.026 -63.842 30.968 1.00 44.53 C +ATOM 11 O GLY B 48 70.921 -63.587 31.458 1.00 44.32 O +ATOM 12 N GLY B 49 72.888 -62.900 30.593 1.00 43.76 N +ATOM 13 CA GLY B 49 72.540 -61.499 30.720 1.00 42.71 C +ATOM 14 C GLY B 49 72.255 -60.877 29.366 1.00 42.26 C +ATOM 15 O GLY B 49 72.804 -61.311 28.344 1.00 42.99 O +ATOM 16 N THR B 50 71.394 -59.863 29.348 1.00 40.93 N +ATOM 17 CA THR B 50 71.055 -59.170 28.106 1.00 39.73 C +ATOM 18 C THR B 50 72.302 -58.575 27.452 1.00 37.87 C +ATOM 19 O THR B 50 72.862 -59.122 26.493 1.00 37.45 O +ATOM 20 CB THR B 50 70.059 -58.001 28.355 1.00 40.22 C +ATOM 21 OG1 THR B 50 70.541 -57.179 29.428 1.00 40.03 O +ATOM 22 CG2 THR B 50 68.670 -58.530 28.696 1.00 40.28 C +ATOM 23 N ARG B 51 72.733 -57.448 27.991 1.00 36.17 N +ATOM 24 CA ARG B 51 73.887 -56.758 27.464 1.00 35.00 C +ATOM 25 C ARG B 51 73.721 -56.271 26.016 1.00 32.52 C +ATOM 26 O ARG B 51 72.826 -56.686 25.276 1.00 31.45 O +ATOM 27 CB ARG B 51 75.132 -57.619 27.609 1.00 36.55 C +ATOM 28 CG ARG B 51 75.749 -57.564 29.007 1.00 38.08 C +ATOM 29 CD ARG B 51 76.288 -56.172 29.375 1.00 38.35 C +ATOM 30 NE ARG B 51 77.505 -55.810 28.643 1.00 39.51 N +ATOM 31 CZ ARG B 51 78.481 -55.045 29.138 1.00 40.39 C +ATOM 32 NH1 ARG B 51 78.392 -54.567 30.375 1.00 39.81 N +ATOM 33 NH2 ARG B 51 79.538 -54.736 28.391 1.00 39.62 N +ATOM 34 N ILE B 52 74.622 -55.368 25.657 1.00 30.19 N +ATOM 35 CA ILE B 52 74.672 -54.674 24.385 1.00 27.41 C +ATOM 36 C ILE B 52 74.637 -55.399 23.050 1.00 25.43 C +ATOM 37 O ILE B 52 75.566 -56.122 22.695 1.00 23.73 O +ATOM 38 CB ILE B 52 75.896 -53.756 24.359 1.00 27.11 C +ATOM 39 CG1 ILE B 52 76.599 -53.775 25.726 1.00 28.02 C +ATOM 40 CG2 ILE B 52 75.467 -52.357 23.957 1.00 27.88 C +ATOM 41 CD1 ILE B 52 75.800 -53.191 26.882 1.00 27.72 C +ATOM 42 N ILE B 53 73.566 -55.149 22.300 1.00 23.59 N +ATOM 43 CA ILE B 53 73.372 -55.710 20.967 1.00 23.40 C +ATOM 44 C ILE B 53 72.996 -54.563 20.035 1.00 22.94 C +ATOM 45 O ILE B 53 72.010 -53.859 20.275 1.00 22.34 O +ATOM 46 CB ILE B 53 72.223 -56.746 20.935 1.00 23.06 C +ATOM 47 CG1 ILE B 53 72.546 -57.915 21.868 1.00 23.21 C +ATOM 48 CG2 ILE B 53 72.012 -57.247 19.504 1.00 22.26 C +ATOM 49 CD1 ILE B 53 71.461 -58.953 21.937 1.00 24.34 C +ATOM 50 N TYR B 54 73.791 -54.354 18.990 1.00 21.36 N +ATOM 51 CA TYR B 54 73.490 -53.305 18.031 1.00 19.83 C +ATOM 52 C TYR B 54 73.137 -53.906 16.683 1.00 21.19 C +ATOM 53 O TYR B 54 73.728 -54.902 16.253 1.00 21.77 O +ATOM 54 CB TYR B 54 74.670 -52.365 17.847 1.00 18.28 C +ATOM 55 CG TYR B 54 75.049 -51.616 19.081 1.00 16.28 C +ATOM 56 CD1 TYR B 54 76.076 -52.068 19.898 1.00 15.68 C +ATOM 57 CD2 TYR B 54 74.383 -50.447 19.439 1.00 15.13 C +ATOM 58 CE1 TYR B 54 76.437 -51.370 21.039 1.00 16.21 C +ATOM 59 CE2 TYR B 54 74.732 -49.746 20.578 1.00 14.22 C +ATOM 60 CZ TYR B 54 75.761 -50.212 21.372 1.00 14.92 C +ATOM 61 OH TYR B 54 76.128 -49.524 22.498 1.00 14.02 O +ATOM 62 N ASP B 55 72.169 -53.294 16.016 1.00 21.94 N +ATOM 63 CA ASP B 55 71.760 -53.766 14.714 1.00 22.70 C +ATOM 64 C ASP B 55 72.538 -52.974 13.670 1.00 22.76 C +ATOM 65 O ASP B 55 73.113 -51.927 13.971 1.00 20.47 O +ATOM 66 CB ASP B 55 70.269 -53.543 14.510 1.00 24.66 C +ATOM 67 CG ASP B 55 69.989 -52.363 13.618 1.00 29.18 C +ATOM 68 OD1 ASP B 55 70.184 -51.222 14.079 1.00 31.17 O +ATOM 69 OD2 ASP B 55 69.602 -52.573 12.445 1.00 33.06 O +ATOM 70 N ARG B 56 72.554 -53.483 12.445 1.00 22.04 N +ATOM 71 CA ARG B 56 73.243 -52.832 11.340 1.00 22.52 C +ATOM 72 C ARG B 56 72.990 -51.319 11.298 1.00 22.00 C +ATOM 73 O ARG B 56 73.866 -50.517 11.603 1.00 19.03 O +ATOM 74 CB ARG B 56 72.776 -53.440 10.020 1.00 24.19 C +ATOM 75 CG ARG B 56 73.016 -52.533 8.843 1.00 27.98 C +ATOM 76 CD ARG B 56 74.468 -52.558 8.436 1.00 32.08 C +ATOM 77 NE ARG B 56 74.724 -53.727 7.607 1.00 34.91 N +ATOM 78 CZ ARG B 56 74.068 -53.974 6.480 1.00 36.87 C +ATOM 79 NH1 ARG B 56 73.136 -53.128 6.068 1.00 37.62 N +ATOM 80 NH2 ARG B 56 74.328 -55.069 5.775 1.00 38.57 N +ATOM 81 N LYS B 57 71.772 -50.959 10.910 1.00 21.92 N +ATOM 82 CA LYS B 57 71.340 -49.574 10.772 1.00 21.64 C +ATOM 83 C LYS B 57 71.901 -48.647 11.837 1.00 20.18 C +ATOM 84 O LYS B 57 72.465 -47.611 11.517 1.00 19.79 O +ATOM 85 CB LYS B 57 69.810 -49.511 10.783 1.00 23.80 C +ATOM 86 CG LYS B 57 69.139 -50.683 10.065 1.00 27.75 C +ATOM 87 CD LYS B 57 69.677 -50.880 8.653 1.00 31.66 C +ATOM 88 CE LYS B 57 69.062 -52.104 7.990 1.00 33.37 C +ATOM 89 NZ LYS B 57 69.564 -52.304 6.603 1.00 33.89 N +ATOM 90 N PHE B 58 71.745 -49.022 13.099 1.00 19.40 N +ATOM 91 CA PHE B 58 72.246 -48.209 14.199 1.00 20.14 C +ATOM 92 C PHE B 58 73.750 -47.946 14.063 1.00 18.53 C +ATOM 93 O PHE B 58 74.192 -46.796 14.075 1.00 18.66 O +ATOM 94 CB PHE B 58 71.975 -48.891 15.547 1.00 22.48 C +ATOM 95 CG PHE B 58 72.316 -48.027 16.732 1.00 24.08 C +ATOM 96 CD1 PHE B 58 71.432 -47.041 17.168 1.00 24.71 C +ATOM 97 CD2 PHE B 58 73.547 -48.154 17.371 1.00 23.63 C +ATOM 98 CE1 PHE B 58 71.774 -46.191 18.223 1.00 25.62 C +ATOM 99 CE2 PHE B 58 73.899 -47.309 18.426 1.00 24.41 C +ATOM 100 CZ PHE B 58 73.016 -46.327 18.853 1.00 25.16 C +ATOM 101 N LEU B 59 74.533 -49.011 13.944 1.00 17.32 N +ATOM 102 CA LEU B 59 75.982 -48.882 13.800 1.00 15.34 C +ATOM 103 C LEU B 59 76.336 -47.984 12.622 1.00 15.28 C +ATOM 104 O LEU B 59 77.187 -47.117 12.737 1.00 14.10 O +ATOM 105 CB LEU B 59 76.609 -50.258 13.614 1.00 15.29 C +ATOM 106 CG LEU B 59 76.438 -51.203 14.798 1.00 15.90 C +ATOM 107 CD1 LEU B 59 77.057 -52.555 14.473 1.00 14.03 C +ATOM 108 CD2 LEU B 59 77.087 -50.581 16.035 1.00 13.88 C +ATOM 109 N MET B 60 75.676 -48.197 11.487 1.00 18.04 N +ATOM 110 CA MET B 60 75.914 -47.385 10.290 1.00 19.58 C +ATOM 111 C MET B 60 75.445 -45.960 10.558 1.00 21.17 C +ATOM 112 O MET B 60 76.101 -45.000 10.167 1.00 21.84 O +ATOM 113 CB MET B 60 75.145 -47.947 9.090 1.00 19.52 C +ATOM 114 CG MET B 60 75.586 -49.326 8.663 1.00 20.23 C +ATOM 115 SD MET B 60 77.305 -49.340 8.094 1.00 23.44 S +ATOM 116 CE MET B 60 77.164 -50.190 6.508 1.00 25.14 C +ATOM 117 N GLU B 61 74.301 -45.850 11.231 1.00 24.09 N +ATOM 118 CA GLU B 61 73.685 -44.575 11.603 1.00 27.31 C +ATOM 119 C GLU B 61 74.702 -43.755 12.388 1.00 29.39 C +ATOM 120 O GLU B 61 74.802 -42.542 12.216 1.00 28.34 O +ATOM 121 CB GLU B 61 72.450 -44.842 12.468 1.00 28.00 C +ATOM 122 CG GLU B 61 71.322 -43.825 12.363 1.00 28.77 C +ATOM 123 CD GLU B 61 70.027 -44.342 12.988 1.00 29.68 C +ATOM 124 OE1 GLU B 61 69.008 -43.616 12.975 1.00 32.16 O +ATOM 125 OE2 GLU B 61 70.021 -45.483 13.496 1.00 29.66 O +ATOM 126 N CYS B 62 75.454 -44.423 13.263 1.00 32.47 N +ATOM 127 CA CYS B 62 76.489 -43.755 14.043 1.00 34.44 C +ATOM 128 C CYS B 62 77.525 -43.243 13.054 1.00 36.05 C +ATOM 129 O CYS B 62 78.669 -42.955 13.407 1.00 35.03 O +ATOM 130 CB CYS B 62 77.143 -44.720 15.037 1.00 34.59 C +ATOM 131 SG CYS B 62 76.238 -44.871 16.596 1.00 34.26 S +ATOM 132 N ARG B 63 77.092 -43.165 11.800 1.00 38.00 N +ATOM 133 CA ARG B 63 77.898 -42.659 10.699 1.00 39.70 C +ATOM 134 C ARG B 63 79.179 -43.432 10.482 1.00 40.31 C +ATOM 135 O ARG B 63 79.391 -44.514 11.044 1.00 39.11 O +ATOM 136 CB ARG B 63 78.249 -41.191 10.949 1.00 38.50 C +ATOM 137 CG ARG B 63 77.054 -40.301 11.182 1.00 38.77 C +ATOM 138 CD ARG B 63 77.337 -39.273 12.265 1.00 39.08 C +ATOM 139 NE ARG B 63 78.063 -38.111 11.760 1.00 39.91 N +ATOM 140 CZ ARG B 63 79.321 -38.128 11.325 1.00 40.06 C +ATOM 141 NH1 ARG B 63 80.024 -39.256 11.330 1.00 39.55 N +ATOM 142 NH2 ARG B 63 79.878 -37.005 10.881 1.00 40.51 N +ATOM 143 N ASN B 64 80.029 -42.833 9.653 1.00 42.04 N +ATOM 144 CA ASN B 64 81.332 -43.373 9.319 1.00 43.61 C +ATOM 145 C ASN B 64 81.282 -44.394 8.171 1.00 43.87 C +ATOM 146 O ASN B 64 80.304 -45.122 8.008 1.00 43.18 O +ATOM 147 CB ASN B 64 81.960 -43.947 10.596 1.00 44.58 C +ATOM 148 CG ASN B 64 81.847 -42.976 11.795 1.00 45.39 C +ATOM 149 OD1 ASN B 64 80.747 -42.546 12.165 1.00 45.67 O +ATOM 150 ND2 ASN B 64 82.986 -42.636 12.400 1.00 45.04 N +ATOM 151 N SER B 65 82.345 -44.397 7.366 1.00 44.70 N +ATOM 152 CA SER B 65 82.504 -45.262 6.192 1.00 45.27 C +ATOM 153 C SER B 65 81.222 -45.880 5.621 1.00 46.19 C +ATOM 154 O SER B 65 80.792 -46.950 6.064 1.00 46.02 O +ATOM 155 CB SER B 65 83.523 -46.354 6.501 1.00 45.73 C +ATOM 156 OG SER B 65 84.829 -45.807 6.673 1.00 44.57 O +ATOM 157 N PRO B 66 80.601 -45.213 4.615 1.00 46.95 N +ATOM 158 CA PRO B 66 79.360 -45.679 3.971 1.00 47.20 C +ATOM 159 C PRO B 66 79.553 -46.666 2.810 1.00 47.57 C +ATOM 160 O PRO B 66 80.713 -46.871 2.364 1.00 47.07 O +ATOM 161 CB PRO B 66 78.713 -44.376 3.501 1.00 46.78 C +ATOM 162 CG PRO B 66 79.916 -43.601 3.027 1.00 47.29 C +ATOM 163 CD PRO B 66 80.939 -43.847 4.153 1.00 47.43 C +ATOM 164 OXT PRO B 66 78.521 -47.216 2.351 1.00 47.58 O +TER 165 PRO B 66 +END diff --git a/bench/main_benchmark/structures/SFB_ID_HIF1A_1L8CB_1L8CB/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_HIF1A_1L8CB_1L8CB/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..49f76c3309b891f89b82a3f712d2962e8f744ad5 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_HIF1A_1L8CB_1L8CB/state_a.pdb @@ -0,0 +1,770 @@ +MODEL 1 +ATOM 1 N SER B 99 -10.424 14.715 6.692 1.00 0.00 N +ATOM 2 CA SER B 99 -9.341 14.635 5.685 1.00 0.00 C +ATOM 3 C SER B 99 -9.538 13.418 4.777 1.00 0.00 C +ATOM 4 O SER B 99 -10.088 13.555 3.684 1.00 0.00 O +ATOM 5 CB SER B 99 -7.957 14.664 6.350 1.00 0.00 C +ATOM 6 OG SER B 99 -7.879 13.705 7.397 1.00 0.00 O +ATOM 7 H1 SER B 99 -11.326 14.696 6.241 1.00 0.00 H +ATOM 8 H2 SER B 99 -10.354 13.935 7.329 1.00 0.00 H +ATOM 9 H3 SER B 99 -10.341 15.567 7.223 1.00 0.00 H +ATOM 10 HA SER B 99 -9.407 15.513 5.042 1.00 0.00 H +ATOM 11 HB2 SER B 99 -7.185 14.464 5.605 1.00 0.00 H +ATOM 12 HB3 SER B 99 -7.783 15.657 6.768 1.00 0.00 H +ATOM 13 HG SER B 99 -7.014 13.811 7.842 1.00 0.00 H +ATOM 14 N ASP B 100 -9.123 12.222 5.207 1.00 0.00 N +ATOM 15 CA ASP B 100 -9.245 10.942 4.494 1.00 0.00 C +ATOM 16 C ASP B 100 -9.447 9.785 5.495 1.00 0.00 C +ATOM 17 O ASP B 100 -8.847 9.779 6.575 1.00 0.00 O +ATOM 18 CB ASP B 100 -7.997 10.729 3.627 1.00 0.00 C +ATOM 19 CG ASP B 100 -8.010 9.357 2.948 1.00 0.00 C +ATOM 20 OD1 ASP B 100 -8.683 9.197 1.903 1.00 0.00 O +ATOM 21 OD2 ASP B 100 -7.354 8.426 3.464 1.00 0.00 O +ATOM 22 H ASP B 100 -8.681 12.193 6.121 1.00 0.00 H +ATOM 23 HA ASP B 100 -10.116 10.973 3.837 1.00 0.00 H +ATOM 24 HB2 ASP B 100 -7.955 11.508 2.862 1.00 0.00 H +ATOM 25 HB3 ASP B 100 -7.104 10.823 4.245 1.00 0.00 H +ATOM 26 N LEU B 101 -10.304 8.816 5.148 1.00 0.00 N +ATOM 27 CA LEU B 101 -10.657 7.673 5.997 1.00 0.00 C +ATOM 28 C LEU B 101 -9.447 6.785 6.321 1.00 0.00 C +ATOM 29 O LEU B 101 -9.161 6.561 7.494 1.00 0.00 O +ATOM 30 CB LEU B 101 -11.835 6.903 5.361 1.00 0.00 C +ATOM 31 CG LEU B 101 -12.480 5.775 6.198 1.00 0.00 C +ATOM 32 CD1 LEU B 101 -11.705 4.458 6.162 1.00 0.00 C +ATOM 33 CD2 LEU B 101 -12.732 6.160 7.657 1.00 0.00 C +ATOM 34 H LEU B 101 -10.746 8.883 4.243 1.00 0.00 H +ATOM 35 HA LEU B 101 -11.003 8.083 6.948 1.00 0.00 H +ATOM 36 HB2 LEU B 101 -12.622 7.630 5.155 1.00 0.00 H +ATOM 37 HB3 LEU B 101 -11.523 6.493 4.399 1.00 0.00 H +ATOM 38 HG LEU B 101 -13.454 5.576 5.755 1.00 0.00 H +ATOM 39 HD11 LEU B 101 -12.300 3.674 6.630 1.00 0.00 H +ATOM 40 HD12 LEU B 101 -11.512 4.173 5.127 1.00 0.00 H +ATOM 41 HD13 LEU B 101 -10.765 4.537 6.701 1.00 0.00 H +ATOM 42 HD21 LEU B 101 -13.283 5.363 8.151 1.00 0.00 H +ATOM 43 HD22 LEU B 101 -11.789 6.299 8.185 1.00 0.00 H +ATOM 44 HD23 LEU B 101 -13.312 7.082 7.702 1.00 0.00 H +ATOM 45 N ALA B 102 -8.725 6.290 5.311 1.00 0.00 N +ATOM 46 CA ALA B 102 -7.539 5.447 5.499 1.00 0.00 C +ATOM 47 C ALA B 102 -6.505 6.110 6.427 1.00 0.00 C +ATOM 48 O ALA B 102 -5.976 5.467 7.337 1.00 0.00 O +ATOM 49 CB ALA B 102 -6.919 5.127 4.136 1.00 0.00 C +ATOM 50 H ALA B 102 -8.994 6.547 4.372 1.00 0.00 H +ATOM 51 HA ALA B 102 -7.852 4.511 5.963 1.00 0.00 H +ATOM 52 HB1 ALA B 102 -6.116 4.401 4.270 1.00 0.00 H +ATOM 53 HB2 ALA B 102 -7.676 4.719 3.467 1.00 0.00 H +ATOM 54 HB3 ALA B 102 -6.495 6.028 3.696 1.00 0.00 H +ATOM 55 N CYS B 103 -6.242 7.398 6.191 1.00 0.00 N +ATOM 56 CA CYS B 103 -5.302 8.249 6.924 1.00 0.00 C +ATOM 57 C CYS B 103 -5.677 8.564 8.391 1.00 0.00 C +ATOM 58 O CYS B 103 -4.941 9.321 9.033 1.00 0.00 O +ATOM 59 CB CYS B 103 -5.101 9.550 6.129 1.00 0.00 C +ATOM 60 SG CYS B 103 -4.451 9.200 4.466 1.00 0.00 S +ATOM 61 H CYS B 103 -6.737 7.810 5.405 1.00 0.00 H +ATOM 62 HA CYS B 103 -4.342 7.741 6.963 1.00 0.00 H +ATOM 63 HB2 CYS B 103 -6.049 10.084 6.059 1.00 0.00 H +ATOM 64 HB3 CYS B 103 -4.388 10.186 6.655 1.00 0.00 H +ATOM 65 HG CYS B 103 -5.577 8.649 3.977 1.00 0.00 H +ATOM 66 N ARG B 104 -6.780 8.024 8.945 1.00 0.00 N +ATOM 67 CA ARG B 104 -7.217 8.266 10.340 1.00 0.00 C +ATOM 68 C ARG B 104 -6.075 8.075 11.353 1.00 0.00 C +ATOM 69 O ARG B 104 -5.484 6.999 11.449 1.00 0.00 O +ATOM 70 CB ARG B 104 -8.498 7.475 10.695 1.00 0.00 C +ATOM 71 CG ARG B 104 -8.361 5.995 11.106 1.00 0.00 C +ATOM 72 CD ARG B 104 -7.694 5.090 10.064 1.00 0.00 C +ATOM 73 NE ARG B 104 -7.618 3.696 10.530 1.00 0.00 N +ATOM 74 CZ ARG B 104 -7.028 2.691 9.912 1.00 0.00 C +ATOM 75 NH1 ARG B 104 -6.382 2.850 8.790 1.00 0.00 N +ATOM 76 NH2 ARG B 104 -7.088 1.499 10.430 1.00 0.00 N +ATOM 77 H ARG B 104 -7.349 7.431 8.350 1.00 0.00 H +ATOM 78 HA ARG B 104 -7.498 9.319 10.382 1.00 0.00 H +ATOM 79 HB2 ARG B 104 -8.966 7.987 11.538 1.00 0.00 H +ATOM 80 HB3 ARG B 104 -9.201 7.549 9.867 1.00 0.00 H +ATOM 81 HG2 ARG B 104 -7.803 5.933 12.041 1.00 0.00 H +ATOM 82 HG3 ARG B 104 -9.362 5.610 11.301 1.00 0.00 H +ATOM 83 HD2 ARG B 104 -8.274 5.115 9.145 1.00 0.00 H +ATOM 84 HD3 ARG B 104 -6.687 5.456 9.859 1.00 0.00 H +ATOM 85 HE ARG B 104 -8.080 3.467 11.396 1.00 0.00 H +ATOM 86 HH11 ARG B 104 -6.295 3.782 8.401 1.00 0.00 H +ATOM 87 HH12 ARG B 104 -5.932 2.071 8.345 1.00 0.00 H +ATOM 88 HH21 ARG B 104 -7.577 1.358 11.299 1.00 0.00 H +ATOM 89 HH22 ARG B 104 -6.666 0.692 9.994 1.00 0.00 H +ATOM 90 N LEU B 105 -5.745 9.152 12.070 1.00 0.00 N +ATOM 91 CA LEU B 105 -4.643 9.279 13.033 1.00 0.00 C +ATOM 92 C LEU B 105 -3.357 8.530 12.620 1.00 0.00 C +ATOM 93 O LEU B 105 -2.844 7.697 13.371 1.00 0.00 O +ATOM 94 CB LEU B 105 -5.092 8.909 14.464 1.00 0.00 C +ATOM 95 CG LEU B 105 -6.332 9.615 15.022 1.00 0.00 C +ATOM 96 CD1 LEU B 105 -6.558 9.182 16.471 1.00 0.00 C +ATOM 97 CD2 LEU B 105 -6.216 11.141 14.990 1.00 0.00 C +ATOM 98 H LEU B 105 -6.285 9.981 11.872 1.00 0.00 H +ATOM 99 HA LEU B 105 -4.360 10.332 13.056 1.00 0.00 H +ATOM 100 HB2 LEU B 105 -5.288 7.838 14.493 1.00 0.00 H +ATOM 101 HB3 LEU B 105 -4.263 9.128 15.135 1.00 0.00 H +ATOM 102 HG LEU B 105 -7.188 9.299 14.438 1.00 0.00 H +ATOM 103 HD11 LEU B 105 -6.664 8.098 16.517 1.00 0.00 H +ATOM 104 HD12 LEU B 105 -5.714 9.486 17.092 1.00 0.00 H +ATOM 105 HD13 LEU B 105 -7.470 9.638 16.855 1.00 0.00 H +ATOM 106 HD21 LEU B 105 -5.325 11.460 15.532 1.00 0.00 H +ATOM 107 HD22 LEU B 105 -6.159 11.492 13.960 1.00 0.00 H +ATOM 108 HD23 LEU B 105 -7.096 11.587 15.454 1.00 0.00 H +ATOM 109 N LEU B 106 -2.790 8.863 11.455 1.00 0.00 N +ATOM 110 CA LEU B 106 -1.490 8.325 11.013 1.00 0.00 C +ATOM 111 C LEU B 106 -0.385 8.628 12.046 1.00 0.00 C +ATOM 112 O LEU B 106 0.505 7.803 12.264 1.00 0.00 O +ATOM 113 CB LEU B 106 -1.135 8.862 9.614 1.00 0.00 C +ATOM 114 CG LEU B 106 -1.626 7.980 8.449 1.00 0.00 C +ATOM 115 CD1 LEU B 106 -1.490 8.769 7.151 1.00 0.00 C +ATOM 116 CD2 LEU B 106 -0.755 6.727 8.325 1.00 0.00 C +ATOM 117 H LEU B 106 -3.262 9.553 10.884 1.00 0.00 H +ATOM 118 HA LEU B 106 -1.568 7.239 10.967 1.00 0.00 H +ATOM 119 HB2 LEU B 106 -1.547 9.868 9.509 1.00 0.00 H +ATOM 120 HB3 LEU B 106 -0.054 8.953 9.525 1.00 0.00 H +ATOM 121 HG LEU B 106 -2.670 7.684 8.575 1.00 0.00 H +ATOM 122 HD11 LEU B 106 -2.109 9.663 7.201 1.00 0.00 H +ATOM 123 HD12 LEU B 106 -0.451 9.060 7.002 1.00 0.00 H +ATOM 124 HD13 LEU B 106 -1.819 8.166 6.307 1.00 0.00 H +ATOM 125 HD21 LEU B 106 0.293 7.009 8.225 1.00 0.00 H +ATOM 126 HD22 LEU B 106 -0.878 6.093 9.201 1.00 0.00 H +ATOM 127 HD23 LEU B 106 -1.046 6.162 7.445 1.00 0.00 H +ATOM 128 N GLY B 107 -0.481 9.790 12.711 1.00 0.00 N +ATOM 129 CA GLY B 107 0.375 10.276 13.803 1.00 0.00 C +ATOM 130 C GLY B 107 0.749 9.198 14.831 1.00 0.00 C +ATOM 131 O GLY B 107 1.900 9.146 15.266 1.00 0.00 O +ATOM 132 H GLY B 107 -1.265 10.371 12.447 1.00 0.00 H +ATOM 133 HA2 GLY B 107 1.286 10.701 13.386 1.00 0.00 H +ATOM 134 HA3 GLY B 107 -0.148 11.072 14.333 1.00 0.00 H +ATOM 135 N GLN B 108 -0.207 8.323 15.177 1.00 0.00 N +ATOM 136 CA GLN B 108 -0.062 7.168 16.078 1.00 0.00 C +ATOM 137 C GLN B 108 1.248 6.398 15.832 1.00 0.00 C +ATOM 138 O GLN B 108 2.058 6.204 16.741 1.00 0.00 O +ATOM 139 CB GLN B 108 -1.236 6.198 15.850 1.00 0.00 C +ATOM 140 CG GLN B 108 -2.595 6.656 16.407 1.00 0.00 C +ATOM 141 CD GLN B 108 -3.672 5.616 16.106 1.00 0.00 C +ATOM 142 OE1 GLN B 108 -4.159 4.905 16.978 1.00 0.00 O +ATOM 143 NE2 GLN B 108 -4.080 5.483 14.861 1.00 0.00 N +ATOM 144 H GLN B 108 -1.103 8.444 14.722 1.00 0.00 H +ATOM 145 HA GLN B 108 -0.069 7.507 17.115 1.00 0.00 H +ATOM 146 HB2 GLN B 108 -1.334 6.019 14.777 1.00 0.00 H +ATOM 147 HB3 GLN B 108 -0.980 5.237 16.301 1.00 0.00 H +ATOM 148 HG2 GLN B 108 -2.519 6.795 17.485 1.00 0.00 H +ATOM 149 HG3 GLN B 108 -2.898 7.604 15.962 1.00 0.00 H +ATOM 150 HE21 GLN B 108 -3.674 6.085 14.150 1.00 0.00 H +ATOM 151 HE22 GLN B 108 -4.789 4.801 14.647 1.00 0.00 H +ATOM 152 N SER B 109 1.423 5.946 14.590 1.00 0.00 N +ATOM 153 CA SER B 109 2.553 5.152 14.103 1.00 0.00 C +ATOM 154 C SER B 109 3.685 6.018 13.534 1.00 0.00 C +ATOM 155 O SER B 109 4.854 5.678 13.707 1.00 0.00 O +ATOM 156 CB SER B 109 2.050 4.185 13.033 1.00 0.00 C +ATOM 157 OG SER B 109 1.048 3.326 13.551 1.00 0.00 O +ATOM 158 H SER B 109 0.684 6.157 13.932 1.00 0.00 H +ATOM 159 HA SER B 109 2.962 4.561 14.923 1.00 0.00 H +ATOM 160 HB2 SER B 109 1.622 4.767 12.219 1.00 0.00 H +ATOM 161 HB3 SER B 109 2.884 3.588 12.667 1.00 0.00 H +ATOM 162 HG SER B 109 0.869 2.645 12.878 1.00 0.00 H +ATOM 163 N MET B 110 3.361 7.138 12.869 1.00 0.00 N +ATOM 164 CA MET B 110 4.331 8.088 12.286 1.00 0.00 C +ATOM 165 C MET B 110 5.351 8.613 13.312 1.00 0.00 C +ATOM 166 O MET B 110 6.498 8.888 12.958 1.00 0.00 O +ATOM 167 CB MET B 110 3.604 9.280 11.642 1.00 0.00 C +ATOM 168 CG MET B 110 2.748 8.922 10.419 1.00 0.00 C +ATOM 169 SD MET B 110 3.476 9.228 8.783 1.00 0.00 S +ATOM 170 CE MET B 110 4.975 8.218 8.879 1.00 0.00 C +ATOM 171 H MET B 110 2.371 7.348 12.774 1.00 0.00 H +ATOM 172 HA MET B 110 4.899 7.567 11.518 1.00 0.00 H +ATOM 173 HB2 MET B 110 2.962 9.728 12.397 1.00 0.00 H +ATOM 174 HB3 MET B 110 4.333 10.036 11.345 1.00 0.00 H +ATOM 175 HG2 MET B 110 2.438 7.878 10.477 1.00 0.00 H +ATOM 176 HG3 MET B 110 1.848 9.534 10.476 1.00 0.00 H +ATOM 177 HE1 MET B 110 4.724 7.219 9.230 1.00 0.00 H +ATOM 178 HE2 MET B 110 5.438 8.144 7.896 1.00 0.00 H +ATOM 179 HE3 MET B 110 5.681 8.674 9.572 1.00 0.00 H +ATOM 180 N ASP B 111 4.942 8.747 14.579 1.00 0.00 N +ATOM 181 CA ASP B 111 5.774 9.180 15.710 1.00 0.00 C +ATOM 182 C ASP B 111 7.054 8.334 15.881 1.00 0.00 C +ATOM 183 O ASP B 111 8.100 8.859 16.271 1.00 0.00 O +ATOM 184 CB ASP B 111 4.922 9.141 16.987 1.00 0.00 C +ATOM 185 CG ASP B 111 5.705 9.620 18.223 1.00 0.00 C +ATOM 186 OD1 ASP B 111 5.954 10.843 18.345 1.00 0.00 O +ATOM 187 OD2 ASP B 111 6.050 8.780 19.089 1.00 0.00 O +ATOM 188 H ASP B 111 3.975 8.516 14.769 1.00 0.00 H +ATOM 189 HA ASP B 111 6.082 10.212 15.538 1.00 0.00 H +ATOM 190 HB2 ASP B 111 4.051 9.784 16.853 1.00 0.00 H +ATOM 191 HB3 ASP B 111 4.565 8.121 17.146 1.00 0.00 H +ATOM 192 N GLU B 112 6.993 7.031 15.579 1.00 0.00 N +ATOM 193 CA GLU B 112 8.125 6.101 15.654 1.00 0.00 C +ATOM 194 C GLU B 112 9.101 6.318 14.478 1.00 0.00 C +ATOM 195 O GLU B 112 8.974 5.705 13.414 1.00 0.00 O +ATOM 196 CB GLU B 112 7.626 4.646 15.709 1.00 0.00 C +ATOM 197 CG GLU B 112 6.833 4.352 16.990 1.00 0.00 C +ATOM 198 CD GLU B 112 6.467 2.860 17.078 1.00 0.00 C +ATOM 199 OE1 GLU B 112 7.375 2.031 17.337 1.00 0.00 O +ATOM 200 OE2 GLU B 112 5.274 2.512 16.910 1.00 0.00 O +ATOM 201 H GLU B 112 6.111 6.675 15.231 1.00 0.00 H +ATOM 202 HA GLU B 112 8.677 6.288 16.577 1.00 0.00 H +ATOM 203 HB2 GLU B 112 6.999 4.432 14.842 1.00 0.00 H +ATOM 204 HB3 GLU B 112 8.493 3.985 15.678 1.00 0.00 H +ATOM 205 HG2 GLU B 112 7.438 4.632 17.856 1.00 0.00 H +ATOM 206 HG3 GLU B 112 5.926 4.962 17.004 1.00 0.00 H +ATOM 207 N SER B 113 10.082 7.208 14.682 1.00 0.00 N +ATOM 208 CA SER B 113 11.149 7.626 13.751 1.00 0.00 C +ATOM 209 C SER B 113 10.658 8.421 12.526 1.00 0.00 C +ATOM 210 O SER B 113 11.096 9.553 12.305 1.00 0.00 O +ATOM 211 CB SER B 113 12.033 6.442 13.318 1.00 0.00 C +ATOM 212 OG SER B 113 12.558 5.739 14.439 1.00 0.00 O +ATOM 213 H SER B 113 10.064 7.664 15.584 1.00 0.00 H +ATOM 214 HA SER B 113 11.797 8.305 14.304 1.00 0.00 H +ATOM 215 HB2 SER B 113 11.454 5.751 12.703 1.00 0.00 H +ATOM 216 HB3 SER B 113 12.860 6.819 12.712 1.00 0.00 H +ATOM 217 HG SER B 113 13.102 6.356 14.965 1.00 0.00 H +ATOM 218 N GLY B 114 9.771 7.835 11.723 1.00 0.00 N +ATOM 219 CA GLY B 114 9.190 8.388 10.496 1.00 0.00 C +ATOM 220 C GLY B 114 8.823 7.251 9.544 1.00 0.00 C +ATOM 221 O GLY B 114 7.666 6.842 9.469 1.00 0.00 O +ATOM 222 H GLY B 114 9.468 6.912 12.020 1.00 0.00 H +ATOM 223 HA2 GLY B 114 8.289 8.951 10.740 1.00 0.00 H +ATOM 224 HA3 GLY B 114 9.899 9.053 10.002 1.00 0.00 H +ATOM 225 N LEU B 115 9.833 6.703 8.862 1.00 0.00 N +ATOM 226 CA LEU B 115 9.735 5.545 7.965 1.00 0.00 C +ATOM 227 C LEU B 115 10.702 4.449 8.464 1.00 0.00 C +ATOM 228 O LEU B 115 11.895 4.732 8.632 1.00 0.00 O +ATOM 229 CB LEU B 115 10.046 5.945 6.511 1.00 0.00 C +ATOM 230 CG LEU B 115 9.056 6.933 5.869 1.00 0.00 C +ATOM 231 CD1 LEU B 115 9.528 7.261 4.453 1.00 0.00 C +ATOM 232 CD2 LEU B 115 7.637 6.378 5.761 1.00 0.00 C +ATOM 233 H LEU B 115 10.755 7.083 9.032 1.00 0.00 H +ATOM 234 HA LEU B 115 8.717 5.162 7.996 1.00 0.00 H +ATOM 235 HB2 LEU B 115 11.045 6.381 6.479 1.00 0.00 H +ATOM 236 HB3 LEU B 115 10.062 5.036 5.907 1.00 0.00 H +ATOM 237 HG LEU B 115 9.030 7.857 6.444 1.00 0.00 H +ATOM 238 HD11 LEU B 115 8.852 7.976 3.985 1.00 0.00 H +ATOM 239 HD12 LEU B 115 10.526 7.699 4.492 1.00 0.00 H +ATOM 240 HD13 LEU B 115 9.558 6.353 3.850 1.00 0.00 H +ATOM 241 HD21 LEU B 115 7.004 7.093 5.239 1.00 0.00 H +ATOM 242 HD22 LEU B 115 7.640 5.434 5.218 1.00 0.00 H +ATOM 243 HD23 LEU B 115 7.217 6.219 6.754 1.00 0.00 H +ATOM 244 N PRO B 116 10.226 3.217 8.729 1.00 0.00 N +ATOM 245 CA PRO B 116 11.048 2.124 9.245 1.00 0.00 C +ATOM 246 C PRO B 116 11.845 1.405 8.143 1.00 0.00 C +ATOM 247 O PRO B 116 11.709 1.689 6.950 1.00 0.00 O +ATOM 248 CB PRO B 116 10.023 1.174 9.878 1.00 0.00 C +ATOM 249 CG PRO B 116 8.853 1.276 8.901 1.00 0.00 C +ATOM 250 CD PRO B 116 8.846 2.769 8.576 1.00 0.00 C +ATOM 251 HA PRO B 116 11.738 2.483 10.011 1.00 0.00 H +ATOM 252 HB2 PRO B 116 10.384 0.150 9.977 1.00 0.00 H +ATOM 253 HB3 PRO B 116 9.728 1.564 10.851 1.00 0.00 H +ATOM 254 HG2 PRO B 116 9.063 0.696 8.000 1.00 0.00 H +ATOM 255 HG3 PRO B 116 7.916 0.951 9.342 1.00 0.00 H +ATOM 256 HD2 PRO B 116 8.496 2.928 7.557 1.00 0.00 H +ATOM 257 HD3 PRO B 116 8.207 3.297 9.285 1.00 0.00 H +ATOM 258 N GLN B 117 12.630 0.405 8.553 1.00 0.00 N +ATOM 259 CA GLN B 117 13.374 -0.502 7.675 1.00 0.00 C +ATOM 260 C GLN B 117 12.839 -1.929 7.854 1.00 0.00 C +ATOM 261 O GLN B 117 13.545 -2.856 8.260 1.00 0.00 O +ATOM 262 CB GLN B 117 14.892 -0.365 7.889 1.00 0.00 C +ATOM 263 CG GLN B 117 15.421 0.921 7.241 1.00 0.00 C +ATOM 264 CD GLN B 117 16.923 1.093 7.457 1.00 0.00 C +ATOM 265 OE1 GLN B 117 17.744 0.803 6.593 1.00 0.00 O +ATOM 266 NE2 GLN B 117 17.347 1.571 8.608 1.00 0.00 N +ATOM 267 H GLN B 117 12.656 0.218 9.548 1.00 0.00 H +ATOM 268 HA GLN B 117 13.169 -0.253 6.634 1.00 0.00 H +ATOM 269 HB2 GLN B 117 15.118 -0.372 8.957 1.00 0.00 H +ATOM 270 HB3 GLN B 117 15.401 -1.207 7.418 1.00 0.00 H +ATOM 271 HG2 GLN B 117 15.222 0.872 6.169 1.00 0.00 H +ATOM 272 HG3 GLN B 117 14.898 1.784 7.652 1.00 0.00 H +ATOM 273 HE21 GLN B 117 16.696 1.821 9.340 1.00 0.00 H +ATOM 274 HE22 GLN B 117 18.344 1.679 8.735 1.00 0.00 H +ATOM 275 N LEU B 118 11.556 -2.089 7.510 1.00 0.00 N +ATOM 276 CA LEU B 118 10.860 -3.374 7.473 1.00 0.00 C +ATOM 277 C LEU B 118 11.402 -4.204 6.292 1.00 0.00 C +ATOM 278 O LEU B 118 12.107 -3.697 5.412 1.00 0.00 O +ATOM 279 CB LEU B 118 9.340 -3.141 7.339 1.00 0.00 C +ATOM 280 CG LEU B 118 8.655 -2.525 8.572 1.00 0.00 C +ATOM 281 CD1 LEU B 118 7.236 -2.093 8.202 1.00 0.00 C +ATOM 282 CD2 LEU B 118 8.557 -3.499 9.746 1.00 0.00 C +ATOM 283 H LEU B 118 11.075 -1.272 7.163 1.00 0.00 H +ATOM 284 HA LEU B 118 11.065 -3.930 8.389 1.00 0.00 H +ATOM 285 HB2 LEU B 118 9.174 -2.484 6.485 1.00 0.00 H +ATOM 286 HB3 LEU B 118 8.852 -4.091 7.119 1.00 0.00 H +ATOM 287 HG LEU B 118 9.206 -1.644 8.894 1.00 0.00 H +ATOM 288 HD11 LEU B 118 7.283 -1.318 7.439 1.00 0.00 H +ATOM 289 HD12 LEU B 118 6.680 -2.943 7.811 1.00 0.00 H +ATOM 290 HD13 LEU B 118 6.722 -1.695 9.076 1.00 0.00 H +ATOM 291 HD21 LEU B 118 9.557 -3.787 10.070 1.00 0.00 H +ATOM 292 HD22 LEU B 118 8.052 -3.011 10.582 1.00 0.00 H +ATOM 293 HD23 LEU B 118 7.996 -4.387 9.454 1.00 0.00 H +ATOM 294 N THR B 119 11.079 -5.492 6.270 1.00 0.00 N +ATOM 295 CA THR B 119 11.507 -6.442 5.234 1.00 0.00 C +ATOM 296 C THR B 119 10.370 -7.390 4.869 1.00 0.00 C +ATOM 297 O THR B 119 9.366 -7.481 5.580 1.00 0.00 O +ATOM 298 CB THR B 119 12.731 -7.259 5.696 1.00 0.00 C +ATOM 299 OG1 THR B 119 12.426 -8.005 6.859 1.00 0.00 O +ATOM 300 CG2 THR B 119 13.953 -6.381 5.987 1.00 0.00 C +ATOM 301 H THR B 119 10.495 -5.856 7.007 1.00 0.00 H +ATOM 302 HA THR B 119 11.779 -5.899 4.328 1.00 0.00 H +ATOM 303 HB THR B 119 13.004 -7.960 4.906 1.00 0.00 H +ATOM 304 HG1 THR B 119 13.258 -8.385 7.187 1.00 0.00 H +ATOM 305 HG21 THR B 119 14.178 -5.763 5.117 1.00 0.00 H +ATOM 306 HG22 THR B 119 13.766 -5.730 6.841 1.00 0.00 H +ATOM 307 HG23 THR B 119 14.816 -7.011 6.203 1.00 0.00 H +ATOM 308 N SER B 120 10.545 -8.142 3.779 1.00 0.00 N +ATOM 309 CA SER B 120 9.612 -9.186 3.335 1.00 0.00 C +ATOM 310 C SER B 120 9.338 -10.149 4.495 1.00 0.00 C +ATOM 311 O SER B 120 8.184 -10.337 4.873 1.00 0.00 O +ATOM 312 CB SER B 120 10.166 -9.918 2.106 1.00 0.00 C +ATOM 313 OG SER B 120 11.534 -10.255 2.298 1.00 0.00 O +ATOM 314 H SER B 120 11.406 -8.061 3.259 1.00 0.00 H +ATOM 315 HA SER B 120 8.664 -8.725 3.057 1.00 0.00 H +ATOM 316 HB2 SER B 120 9.580 -10.817 1.919 1.00 0.00 H +ATOM 317 HB3 SER B 120 10.076 -9.265 1.238 1.00 0.00 H +ATOM 318 HG SER B 120 11.881 -10.647 1.475 1.00 0.00 H +ATOM 319 N TYR B 121 10.399 -10.689 5.109 1.00 0.00 N +ATOM 320 CA TYR B 121 10.348 -11.555 6.288 1.00 0.00 C +ATOM 321 C TYR B 121 9.521 -10.937 7.429 1.00 0.00 C +ATOM 322 O TYR B 121 8.548 -11.549 7.869 1.00 0.00 O +ATOM 323 CB TYR B 121 11.771 -11.899 6.755 1.00 0.00 C +ATOM 324 CG TYR B 121 11.799 -12.860 7.930 1.00 0.00 C +ATOM 325 CD1 TYR B 121 11.825 -14.251 7.702 1.00 0.00 C +ATOM 326 CD2 TYR B 121 11.752 -12.368 9.250 1.00 0.00 C +ATOM 327 CE1 TYR B 121 11.803 -15.146 8.789 1.00 0.00 C +ATOM 328 CE2 TYR B 121 11.710 -13.260 10.339 1.00 0.00 C +ATOM 329 CZ TYR B 121 11.741 -14.653 10.111 1.00 0.00 C +ATOM 330 OH TYR B 121 11.700 -15.511 11.168 1.00 0.00 O +ATOM 331 H TYR B 121 11.299 -10.434 4.725 1.00 0.00 H +ATOM 332 HA TYR B 121 9.857 -12.486 6.001 1.00 0.00 H +ATOM 333 HB2 TYR B 121 12.316 -12.345 5.922 1.00 0.00 H +ATOM 334 HB3 TYR B 121 12.291 -10.981 7.034 1.00 0.00 H +ATOM 335 HD1 TYR B 121 11.856 -14.631 6.689 1.00 0.00 H +ATOM 336 HD2 TYR B 121 11.725 -11.299 9.430 1.00 0.00 H +ATOM 337 HE1 TYR B 121 11.821 -16.213 8.612 1.00 0.00 H +ATOM 338 HE2 TYR B 121 11.629 -12.890 11.352 1.00 0.00 H +ATOM 339 HH TYR B 121 11.734 -16.441 10.883 1.00 0.00 H +ATOM 340 N ASP B 122 9.880 -9.738 7.910 1.00 0.00 N +ATOM 341 CA ASP B 122 9.168 -9.040 8.993 1.00 0.00 C +ATOM 342 C ASP B 122 7.665 -8.908 8.699 1.00 0.00 C +ATOM 343 O ASP B 122 6.836 -9.290 9.527 1.00 0.00 O +ATOM 344 CB ASP B 122 9.784 -7.654 9.260 1.00 0.00 C +ATOM 345 CG ASP B 122 10.923 -7.658 10.297 1.00 0.00 C +ATOM 346 OD1 ASP B 122 11.634 -8.677 10.460 1.00 0.00 O +ATOM 347 OD2 ASP B 122 11.090 -6.620 10.983 1.00 0.00 O +ATOM 348 H ASP B 122 10.684 -9.284 7.495 1.00 0.00 H +ATOM 349 HA ASP B 122 9.251 -9.634 9.904 1.00 0.00 H +ATOM 350 HB2 ASP B 122 10.135 -7.214 8.327 1.00 0.00 H +ATOM 351 HB3 ASP B 122 8.996 -7.001 9.643 1.00 0.00 H +ATOM 352 N CYS B 123 7.309 -8.382 7.527 1.00 0.00 N +ATOM 353 CA CYS B 123 5.927 -8.204 7.086 1.00 0.00 C +ATOM 354 C CYS B 123 5.171 -9.546 6.988 1.00 0.00 C +ATOM 355 O CYS B 123 4.072 -9.660 7.530 1.00 0.00 O +ATOM 356 CB CYS B 123 5.921 -7.411 5.775 1.00 0.00 C +ATOM 357 SG CYS B 123 6.492 -5.709 6.051 1.00 0.00 S +ATOM 358 H CYS B 123 8.055 -8.111 6.895 1.00 0.00 H +ATOM 359 HA CYS B 123 5.404 -7.614 7.838 1.00 0.00 H +ATOM 360 HB2 CYS B 123 6.567 -7.899 5.043 1.00 0.00 H +ATOM 361 HB3 CYS B 123 4.903 -7.368 5.397 1.00 0.00 H +ATOM 362 HG CYS B 123 5.551 -5.369 6.944 1.00 0.00 H +ATOM 363 N GLU B 124 5.754 -10.567 6.348 1.00 0.00 N +ATOM 364 CA GLU B 124 5.205 -11.932 6.233 1.00 0.00 C +ATOM 365 C GLU B 124 4.890 -12.533 7.613 1.00 0.00 C +ATOM 366 O GLU B 124 3.815 -13.095 7.820 1.00 0.00 O +ATOM 367 CB GLU B 124 6.184 -12.856 5.484 1.00 0.00 C +ATOM 368 CG GLU B 124 6.162 -12.671 3.960 1.00 0.00 C +ATOM 369 CD GLU B 124 7.277 -13.486 3.285 1.00 0.00 C +ATOM 370 OE1 GLU B 124 7.189 -14.739 3.273 1.00 0.00 O +ATOM 371 OE2 GLU B 124 8.239 -12.898 2.740 1.00 0.00 O +ATOM 372 H GLU B 124 6.674 -10.401 5.950 1.00 0.00 H +ATOM 373 HA GLU B 124 4.264 -11.902 5.686 1.00 0.00 H +ATOM 374 HB2 GLU B 124 7.195 -12.696 5.855 1.00 0.00 H +ATOM 375 HB3 GLU B 124 5.918 -13.889 5.700 1.00 0.00 H +ATOM 376 HG2 GLU B 124 5.191 -12.990 3.576 1.00 0.00 H +ATOM 377 HG3 GLU B 124 6.280 -11.618 3.716 1.00 0.00 H +ATOM 378 N VAL B 125 5.828 -12.413 8.555 1.00 0.00 N +ATOM 379 CA VAL B 125 5.734 -12.881 9.945 1.00 0.00 C +ATOM 380 C VAL B 125 4.627 -12.160 10.723 1.00 0.00 C +ATOM 381 O VAL B 125 3.812 -12.804 11.387 1.00 0.00 O +ATOM 382 CB VAL B 125 7.114 -12.712 10.624 1.00 0.00 C +ATOM 383 CG1 VAL B 125 7.095 -12.699 12.156 1.00 0.00 C +ATOM 384 CG2 VAL B 125 8.040 -13.843 10.165 1.00 0.00 C +ATOM 385 H VAL B 125 6.685 -11.943 8.273 1.00 0.00 H +ATOM 386 HA VAL B 125 5.479 -13.940 9.945 1.00 0.00 H +ATOM 387 HB VAL B 125 7.549 -11.763 10.314 1.00 0.00 H +ATOM 388 HG11 VAL B 125 6.605 -11.787 12.506 1.00 0.00 H +ATOM 389 HG12 VAL B 125 6.572 -13.578 12.534 1.00 0.00 H +ATOM 390 HG13 VAL B 125 8.123 -12.695 12.528 1.00 0.00 H +ATOM 391 HG21 VAL B 125 9.030 -13.695 10.590 1.00 0.00 H +ATOM 392 HG22 VAL B 125 7.649 -14.807 10.488 1.00 0.00 H +ATOM 393 HG23 VAL B 125 8.129 -13.836 9.079 1.00 0.00 H +ATOM 394 N ASN B 126 4.611 -10.826 10.685 1.00 0.00 N +ATOM 395 CA ASN B 126 3.675 -9.985 11.436 1.00 0.00 C +ATOM 396 C ASN B 126 2.239 -9.988 10.889 1.00 0.00 C +ATOM 397 O ASN B 126 1.299 -10.059 11.685 1.00 0.00 O +ATOM 398 CB ASN B 126 4.257 -8.568 11.555 1.00 0.00 C +ATOM 399 CG ASN B 126 5.339 -8.517 12.616 1.00 0.00 C +ATOM 400 OD1 ASN B 126 5.087 -8.205 13.765 1.00 0.00 O +ATOM 401 ND2 ASN B 126 6.559 -8.882 12.303 1.00 0.00 N +ATOM 402 H ASN B 126 5.324 -10.378 10.118 1.00 0.00 H +ATOM 403 HA ASN B 126 3.594 -10.390 12.445 1.00 0.00 H +ATOM 404 HB2 ASN B 126 4.652 -8.236 10.596 1.00 0.00 H +ATOM 405 HB3 ASN B 126 3.468 -7.880 11.858 1.00 0.00 H +ATOM 406 HD21 ASN B 126 6.759 -9.186 11.356 1.00 0.00 H +ATOM 407 HD22 ASN B 126 7.272 -8.842 13.012 1.00 0.00 H +ATOM 408 N ALA B 127 2.051 -9.909 9.571 1.00 0.00 N +ATOM 409 CA ALA B 127 0.740 -9.899 8.915 1.00 0.00 C +ATOM 410 C ALA B 127 0.700 -10.870 7.707 1.00 0.00 C +ATOM 411 O ALA B 127 0.735 -10.422 6.553 1.00 0.00 O +ATOM 412 CB ALA B 127 0.402 -8.444 8.553 1.00 0.00 C +ATOM 413 H ALA B 127 2.871 -9.853 8.975 1.00 0.00 H +ATOM 414 HA ALA B 127 -0.024 -10.236 9.617 1.00 0.00 H +ATOM 415 HB1 ALA B 127 0.399 -7.830 9.453 1.00 0.00 H +ATOM 416 HB2 ALA B 127 1.141 -8.050 7.853 1.00 0.00 H +ATOM 417 HB3 ALA B 127 -0.586 -8.398 8.095 1.00 0.00 H +ATOM 418 N PRO B 128 0.609 -12.196 7.948 1.00 0.00 N +ATOM 419 CA PRO B 128 0.561 -13.217 6.898 1.00 0.00 C +ATOM 420 C PRO B 128 -0.563 -13.005 5.874 1.00 0.00 C +ATOM 421 O PRO B 128 -1.712 -12.731 6.233 1.00 0.00 O +ATOM 422 CB PRO B 128 0.379 -14.562 7.616 1.00 0.00 C +ATOM 423 CG PRO B 128 0.877 -14.307 9.034 1.00 0.00 C +ATOM 424 CD PRO B 128 0.557 -12.832 9.261 1.00 0.00 C +ATOM 425 HA PRO B 128 1.522 -13.217 6.381 1.00 0.00 H +ATOM 426 HB2 PRO B 128 -0.679 -14.829 7.658 1.00 0.00 H +ATOM 427 HB3 PRO B 128 0.947 -15.355 7.129 1.00 0.00 H +ATOM 428 HG2 PRO B 128 0.372 -14.944 9.760 1.00 0.00 H +ATOM 429 HG3 PRO B 128 1.955 -14.464 9.081 1.00 0.00 H +ATOM 430 HD2 PRO B 128 -0.449 -12.733 9.671 1.00 0.00 H +ATOM 431 HD3 PRO B 128 1.286 -12.409 9.950 1.00 0.00 H +ATOM 432 N ILE B 129 -0.229 -13.170 4.593 1.00 0.00 N +ATOM 433 CA ILE B 129 -1.153 -13.087 3.449 1.00 0.00 C +ATOM 434 C ILE B 129 -2.196 -14.212 3.568 1.00 0.00 C +ATOM 435 O ILE B 129 -1.835 -15.379 3.755 1.00 0.00 O +ATOM 436 CB ILE B 129 -0.346 -13.209 2.136 1.00 0.00 C +ATOM 437 CG1 ILE B 129 0.641 -12.033 1.962 1.00 0.00 C +ATOM 438 CG2 ILE B 129 -1.239 -13.288 0.884 1.00 0.00 C +ATOM 439 CD1 ILE B 129 1.860 -12.389 1.103 1.00 0.00 C +ATOM 440 H ILE B 129 0.734 -13.401 4.405 1.00 0.00 H +ATOM 441 HA ILE B 129 -1.663 -12.123 3.466 1.00 0.00 H +ATOM 442 HB ILE B 129 0.222 -14.132 2.206 1.00 0.00 H +ATOM 443 HG12 ILE B 129 0.127 -11.184 1.520 1.00 0.00 H +ATOM 444 HG13 ILE B 129 1.007 -11.711 2.932 1.00 0.00 H +ATOM 445 HG21 ILE B 129 -1.829 -12.378 0.795 1.00 0.00 H +ATOM 446 HG22 ILE B 129 -0.630 -13.403 -0.013 1.00 0.00 H +ATOM 447 HG23 ILE B 129 -1.905 -14.149 0.932 1.00 0.00 H +ATOM 448 HD11 ILE B 129 2.519 -11.524 1.033 1.00 0.00 H +ATOM 449 HD12 ILE B 129 2.411 -13.207 1.567 1.00 0.00 H +ATOM 450 HD13 ILE B 129 1.552 -12.675 0.098 1.00 0.00 H +ATOM 451 N GLN B 130 -3.485 -13.872 3.470 1.00 0.00 N +ATOM 452 CA GLN B 130 -4.595 -14.827 3.574 1.00 0.00 C +ATOM 453 C GLN B 130 -4.496 -15.947 2.514 1.00 0.00 C +ATOM 454 O GLN B 130 -4.150 -15.700 1.356 1.00 0.00 O +ATOM 455 CB GLN B 130 -5.922 -14.053 3.487 1.00 0.00 C +ATOM 456 CG GLN B 130 -7.184 -14.903 3.704 1.00 0.00 C +ATOM 457 CD GLN B 130 -7.196 -15.616 5.055 1.00 0.00 C +ATOM 458 OE1 GLN B 130 -6.743 -16.745 5.193 1.00 0.00 O +ATOM 459 NE2 GLN B 130 -7.689 -14.991 6.104 1.00 0.00 N +ATOM 460 H GLN B 130 -3.704 -12.896 3.331 1.00 0.00 H +ATOM 461 HA GLN B 130 -4.532 -15.291 4.558 1.00 0.00 H +ATOM 462 HB2 GLN B 130 -5.911 -13.263 4.241 1.00 0.00 H +ATOM 463 HB3 GLN B 130 -5.990 -13.582 2.507 1.00 0.00 H +ATOM 464 HG2 GLN B 130 -8.058 -14.256 3.636 1.00 0.00 H +ATOM 465 HG3 GLN B 130 -7.265 -15.646 2.909 1.00 0.00 H +ATOM 466 HE21 GLN B 130 -8.054 -14.054 6.032 1.00 0.00 H +ATOM 467 HE22 GLN B 130 -7.685 -15.490 6.981 1.00 0.00 H +ATOM 468 N GLY B 131 -4.789 -17.188 2.912 1.00 0.00 N +ATOM 469 CA GLY B 131 -4.714 -18.378 2.058 1.00 0.00 C +ATOM 470 C GLY B 131 -3.296 -18.960 2.042 1.00 0.00 C +ATOM 471 O GLY B 131 -2.962 -19.812 2.869 1.00 0.00 O +ATOM 472 H GLY B 131 -5.078 -17.313 3.876 1.00 0.00 H +ATOM 473 HA2 GLY B 131 -5.397 -19.137 2.439 1.00 0.00 H +ATOM 474 HA3 GLY B 131 -5.016 -18.132 1.039 1.00 0.00 H +ATOM 475 N SER B 132 -2.461 -18.477 1.118 1.00 0.00 N +ATOM 476 CA SER B 132 -1.048 -18.856 0.933 1.00 0.00 C +ATOM 477 C SER B 132 -0.204 -17.620 0.600 1.00 0.00 C +ATOM 478 O SER B 132 -0.634 -16.764 -0.179 1.00 0.00 O +ATOM 479 CB SER B 132 -0.889 -19.879 -0.203 1.00 0.00 C +ATOM 480 OG SER B 132 -1.592 -21.084 0.066 1.00 0.00 O +ATOM 481 H SER B 132 -2.828 -17.753 0.513 1.00 0.00 H +ATOM 482 HA SER B 132 -0.663 -19.299 1.853 1.00 0.00 H +ATOM 483 HB2 SER B 132 -1.250 -19.447 -1.138 1.00 0.00 H +ATOM 484 HB3 SER B 132 0.171 -20.114 -0.319 1.00 0.00 H +ATOM 485 HG SER B 132 -2.549 -20.885 0.065 1.00 0.00 H +ATOM 486 N ARG B 133 1.004 -17.511 1.176 1.00 0.00 N +ATOM 487 CA ARG B 133 1.908 -16.373 0.940 1.00 0.00 C +ATOM 488 C ARG B 133 2.443 -16.350 -0.494 1.00 0.00 C +ATOM 489 O ARG B 133 2.783 -17.383 -1.076 1.00 0.00 O +ATOM 490 CB ARG B 133 3.043 -16.311 1.977 1.00 0.00 C +ATOM 491 CG ARG B 133 2.521 -16.285 3.429 1.00 0.00 C +ATOM 492 CD ARG B 133 3.456 -15.544 4.395 1.00 0.00 C +ATOM 493 NE ARG B 133 4.859 -15.982 4.291 1.00 0.00 N +ATOM 494 CZ ARG B 133 5.470 -16.994 4.872 1.00 0.00 C +ATOM 495 NH1 ARG B 133 4.851 -17.868 5.614 1.00 0.00 N +ATOM 496 NH2 ARG B 133 6.749 -17.122 4.697 1.00 0.00 N +ATOM 497 H ARG B 133 1.306 -18.251 1.791 1.00 0.00 H +ATOM 498 HA ARG B 133 1.315 -15.469 1.049 1.00 0.00 H +ATOM 499 HB2 ARG B 133 3.713 -17.164 1.850 1.00 0.00 H +ATOM 500 HB3 ARG B 133 3.616 -15.401 1.789 1.00 0.00 H +ATOM 501 HG2 ARG B 133 1.553 -15.784 3.462 1.00 0.00 H +ATOM 502 HG3 ARG B 133 2.383 -17.311 3.773 1.00 0.00 H +ATOM 503 HD2 ARG B 133 3.411 -14.478 4.164 1.00 0.00 H +ATOM 504 HD3 ARG B 133 3.096 -15.671 5.418 1.00 0.00 H +ATOM 505 HE ARG B 133 5.502 -15.411 3.747 1.00 0.00 H +ATOM 506 HH11 ARG B 133 3.859 -17.779 5.755 1.00 0.00 H +ATOM 507 HH12 ARG B 133 5.359 -18.625 6.039 1.00 0.00 H +ATOM 508 HH21 ARG B 133 7.201 -16.390 4.148 1.00 0.00 H +ATOM 509 HH22 ARG B 133 7.275 -17.868 5.119 1.00 0.00 H +ATOM 510 N ASN B 134 2.494 -15.145 -1.051 1.00 0.00 N +ATOM 511 CA ASN B 134 2.927 -14.811 -2.408 1.00 0.00 C +ATOM 512 C ASN B 134 3.591 -13.411 -2.420 1.00 0.00 C +ATOM 513 O ASN B 134 3.862 -12.844 -1.360 1.00 0.00 O +ATOM 514 CB ASN B 134 1.672 -14.895 -3.309 1.00 0.00 C +ATOM 515 CG ASN B 134 2.008 -15.191 -4.760 1.00 0.00 C +ATOM 516 OD1 ASN B 134 2.256 -14.301 -5.561 1.00 0.00 O +ATOM 517 ND2 ASN B 134 2.051 -16.448 -5.136 1.00 0.00 N +ATOM 518 H ASN B 134 2.199 -14.381 -0.465 1.00 0.00 H +ATOM 519 HA ASN B 134 3.669 -15.541 -2.740 1.00 0.00 H +ATOM 520 HB2 ASN B 134 1.011 -15.687 -2.956 1.00 0.00 H +ATOM 521 HB3 ASN B 134 1.112 -13.960 -3.256 1.00 0.00 H +ATOM 522 HD21 ASN B 134 1.858 -17.187 -4.475 1.00 0.00 H +ATOM 523 HD22 ASN B 134 2.273 -16.644 -6.101 1.00 0.00 H +ATOM 524 N LEU B 135 3.816 -12.834 -3.602 1.00 0.00 N +ATOM 525 CA LEU B 135 4.320 -11.476 -3.827 1.00 0.00 C +ATOM 526 C LEU B 135 3.649 -10.882 -5.077 1.00 0.00 C +ATOM 527 O LEU B 135 4.107 -11.067 -6.208 1.00 0.00 O +ATOM 528 CB LEU B 135 5.857 -11.420 -3.956 1.00 0.00 C +ATOM 529 CG LEU B 135 6.684 -11.589 -2.667 1.00 0.00 C +ATOM 530 CD1 LEU B 135 8.152 -11.346 -3.025 1.00 0.00 C +ATOM 531 CD2 LEU B 135 6.342 -10.593 -1.554 1.00 0.00 C +ATOM 532 H LEU B 135 3.514 -13.354 -4.415 1.00 0.00 H +ATOM 533 HA LEU B 135 4.030 -10.845 -2.988 1.00 0.00 H +ATOM 534 HB2 LEU B 135 6.174 -12.176 -4.677 1.00 0.00 H +ATOM 535 HB3 LEU B 135 6.110 -10.445 -4.377 1.00 0.00 H +ATOM 536 HG LEU B 135 6.580 -12.605 -2.287 1.00 0.00 H +ATOM 537 HD11 LEU B 135 8.774 -11.478 -2.142 1.00 0.00 H +ATOM 538 HD12 LEU B 135 8.461 -12.054 -3.794 1.00 0.00 H +ATOM 539 HD13 LEU B 135 8.281 -10.330 -3.398 1.00 0.00 H +ATOM 540 HD21 LEU B 135 6.473 -9.575 -1.909 1.00 0.00 H +ATOM 541 HD22 LEU B 135 5.315 -10.728 -1.222 1.00 0.00 H +ATOM 542 HD23 LEU B 135 6.995 -10.760 -0.698 1.00 0.00 H +ATOM 543 N LEU B 136 2.569 -10.137 -4.850 1.00 0.00 N +ATOM 544 CA LEU B 136 1.804 -9.372 -5.835 1.00 0.00 C +ATOM 545 C LEU B 136 2.778 -8.359 -6.477 1.00 0.00 C +ATOM 546 O LEU B 136 3.454 -7.610 -5.766 1.00 0.00 O +ATOM 547 CB LEU B 136 0.630 -8.728 -5.062 1.00 0.00 C +ATOM 548 CG LEU B 136 -0.571 -8.185 -5.852 1.00 0.00 C +ATOM 549 CD1 LEU B 136 -0.171 -7.188 -6.927 1.00 0.00 C +ATOM 550 CD2 LEU B 136 -1.417 -9.277 -6.503 1.00 0.00 C +ATOM 551 H LEU B 136 2.295 -10.047 -3.879 1.00 0.00 H +ATOM 552 HA LEU B 136 1.420 -10.051 -6.596 1.00 0.00 H +ATOM 553 HB2 LEU B 136 0.227 -9.475 -4.378 1.00 0.00 H +ATOM 554 HB3 LEU B 136 1.025 -7.918 -4.446 1.00 0.00 H +ATOM 555 HG LEU B 136 -1.212 -7.666 -5.140 1.00 0.00 H +ATOM 556 HD11 LEU B 136 -1.069 -6.672 -7.256 1.00 0.00 H +ATOM 557 HD12 LEU B 136 0.525 -6.462 -6.517 1.00 0.00 H +ATOM 558 HD13 LEU B 136 0.282 -7.700 -7.776 1.00 0.00 H +ATOM 559 HD21 LEU B 136 -0.844 -9.806 -7.265 1.00 0.00 H +ATOM 560 HD22 LEU B 136 -1.749 -9.985 -5.744 1.00 0.00 H +ATOM 561 HD23 LEU B 136 -2.298 -8.821 -6.961 1.00 0.00 H +ATOM 562 N GLN B 137 2.921 -8.384 -7.807 1.00 0.00 N +ATOM 563 CA GLN B 137 3.918 -7.589 -8.542 1.00 0.00 C +ATOM 564 C GLN B 137 3.456 -7.103 -9.929 1.00 0.00 C +ATOM 565 O GLN B 137 2.478 -7.601 -10.488 1.00 0.00 O +ATOM 566 CB GLN B 137 5.215 -8.418 -8.635 1.00 0.00 C +ATOM 567 CG GLN B 137 5.073 -9.730 -9.429 1.00 0.00 C +ATOM 568 CD GLN B 137 6.261 -10.657 -9.183 1.00 0.00 C +ATOM 569 OE1 GLN B 137 7.201 -10.740 -9.962 1.00 0.00 O +ATOM 570 NE2 GLN B 137 6.259 -11.385 -8.087 1.00 0.00 N +ATOM 571 H GLN B 137 2.368 -9.046 -8.333 1.00 0.00 H +ATOM 572 HA GLN B 137 4.146 -6.698 -7.959 1.00 0.00 H +ATOM 573 HB2 GLN B 137 5.998 -7.817 -9.099 1.00 0.00 H +ATOM 574 HB3 GLN B 137 5.537 -8.656 -7.621 1.00 0.00 H +ATOM 575 HG2 GLN B 137 4.168 -10.259 -9.131 1.00 0.00 H +ATOM 576 HG3 GLN B 137 5.001 -9.507 -10.494 1.00 0.00 H +ATOM 577 HE21 GLN B 137 5.477 -11.312 -7.438 1.00 0.00 H +ATOM 578 HE22 GLN B 137 7.037 -12.002 -7.917 1.00 0.00 H +ATOM 579 N GLY B 138 4.182 -6.126 -10.485 1.00 0.00 N +ATOM 580 CA GLY B 138 3.941 -5.515 -11.798 1.00 0.00 C +ATOM 581 C GLY B 138 2.589 -4.810 -11.933 1.00 0.00 C +ATOM 582 O GLY B 138 2.158 -4.118 -11.014 1.00 0.00 O +ATOM 583 H GLY B 138 4.968 -5.779 -9.954 1.00 0.00 H +ATOM 584 HA2 GLY B 138 4.697 -4.749 -11.960 1.00 0.00 H +ATOM 585 HA3 GLY B 138 4.034 -6.276 -12.575 1.00 0.00 H +ATOM 586 N GLU B 139 1.928 -4.948 -13.086 1.00 0.00 N +ATOM 587 CA GLU B 139 0.642 -4.298 -13.402 1.00 0.00 C +ATOM 588 C GLU B 139 -0.419 -4.488 -12.303 1.00 0.00 C +ATOM 589 O GLU B 139 -1.133 -3.550 -11.941 1.00 0.00 O +ATOM 590 CB GLU B 139 0.118 -4.824 -14.750 1.00 0.00 C +ATOM 591 CG GLU B 139 -1.044 -3.984 -15.298 1.00 0.00 C +ATOM 592 CD GLU B 139 -1.674 -4.646 -16.538 1.00 0.00 C +ATOM 593 OE1 GLU B 139 -1.139 -4.480 -17.661 1.00 0.00 O +ATOM 594 OE2 GLU B 139 -2.721 -5.325 -16.395 1.00 0.00 O +ATOM 595 H GLU B 139 2.356 -5.521 -13.799 1.00 0.00 H +ATOM 596 HA GLU B 139 0.831 -3.226 -13.491 1.00 0.00 H +ATOM 597 HB2 GLU B 139 0.928 -4.809 -15.481 1.00 0.00 H +ATOM 598 HB3 GLU B 139 -0.213 -5.856 -14.622 1.00 0.00 H +ATOM 599 HG2 GLU B 139 -1.806 -3.865 -14.527 1.00 0.00 H +ATOM 600 HG3 GLU B 139 -0.674 -2.986 -15.548 1.00 0.00 H +ATOM 601 N GLU B 140 -0.512 -5.705 -11.758 1.00 0.00 N +ATOM 602 CA GLU B 140 -1.434 -6.077 -10.683 1.00 0.00 C +ATOM 603 C GLU B 140 -1.313 -5.168 -9.449 1.00 0.00 C +ATOM 604 O GLU B 140 -2.328 -4.917 -8.800 1.00 0.00 O +ATOM 605 CB GLU B 140 -1.243 -7.550 -10.289 1.00 0.00 C +ATOM 606 CG GLU B 140 -1.893 -8.552 -11.249 1.00 0.00 C +ATOM 607 CD GLU B 140 -1.333 -8.519 -12.686 1.00 0.00 C +ATOM 608 OE1 GLU B 140 -0.103 -8.682 -12.876 1.00 0.00 O +ATOM 609 OE2 GLU B 140 -2.132 -8.358 -13.640 1.00 0.00 O +ATOM 610 H GLU B 140 0.125 -6.411 -12.109 1.00 0.00 H +ATOM 611 HA GLU B 140 -2.453 -5.953 -11.051 1.00 0.00 H +ATOM 612 HB2 GLU B 140 -0.183 -7.771 -10.178 1.00 0.00 H +ATOM 613 HB3 GLU B 140 -1.718 -7.705 -9.320 1.00 0.00 H +ATOM 614 HG2 GLU B 140 -1.746 -9.550 -10.830 1.00 0.00 H +ATOM 615 HG3 GLU B 140 -2.967 -8.356 -11.262 1.00 0.00 H +ATOM 616 N LEU B 141 -0.116 -4.641 -9.134 1.00 0.00 N +ATOM 617 CA LEU B 141 0.089 -3.692 -8.031 1.00 0.00 C +ATOM 618 C LEU B 141 -0.815 -2.478 -8.237 1.00 0.00 C +ATOM 619 O LEU B 141 -1.664 -2.184 -7.403 1.00 0.00 O +ATOM 620 CB LEU B 141 1.542 -3.189 -7.965 1.00 0.00 C +ATOM 621 CG LEU B 141 2.604 -4.215 -7.554 1.00 0.00 C +ATOM 622 CD1 LEU B 141 3.957 -3.697 -8.030 1.00 0.00 C +ATOM 623 CD2 LEU B 141 2.684 -4.367 -6.034 1.00 0.00 C +ATOM 624 H LEU B 141 0.663 -4.852 -9.749 1.00 0.00 H +ATOM 625 HA LEU B 141 -0.182 -4.160 -7.085 1.00 0.00 H +ATOM 626 HB2 LEU B 141 1.806 -2.780 -8.938 1.00 0.00 H +ATOM 627 HB3 LEU B 141 1.587 -2.355 -7.262 1.00 0.00 H +ATOM 628 HG LEU B 141 2.399 -5.179 -8.016 1.00 0.00 H +ATOM 629 HD11 LEU B 141 4.757 -4.348 -7.680 1.00 0.00 H +ATOM 630 HD12 LEU B 141 3.977 -3.659 -9.118 1.00 0.00 H +ATOM 631 HD13 LEU B 141 4.100 -2.686 -7.652 1.00 0.00 H +ATOM 632 HD21 LEU B 141 1.758 -4.782 -5.646 1.00 0.00 H +ATOM 633 HD22 LEU B 141 3.512 -5.024 -5.772 1.00 0.00 H +ATOM 634 HD23 LEU B 141 2.860 -3.401 -5.573 1.00 0.00 H +ATOM 635 N LEU B 142 -0.632 -1.777 -9.359 1.00 0.00 N +ATOM 636 CA LEU B 142 -1.380 -0.571 -9.704 1.00 0.00 C +ATOM 637 C LEU B 142 -2.889 -0.842 -9.729 1.00 0.00 C +ATOM 638 O LEU B 142 -3.656 -0.046 -9.195 1.00 0.00 O +ATOM 639 CB LEU B 142 -0.875 0.043 -11.019 1.00 0.00 C +ATOM 640 CG LEU B 142 0.653 0.214 -11.161 1.00 0.00 C +ATOM 641 CD1 LEU B 142 0.927 1.229 -12.271 1.00 0.00 C +ATOM 642 CD2 LEU B 142 1.367 0.718 -9.902 1.00 0.00 C +ATOM 643 H LEU B 142 0.071 -2.125 -9.997 1.00 0.00 H +ATOM 644 HA LEU B 142 -1.209 0.160 -8.912 1.00 0.00 H +ATOM 645 HB2 LEU B 142 -1.223 -0.569 -11.854 1.00 0.00 H +ATOM 646 HB3 LEU B 142 -1.349 1.021 -11.108 1.00 0.00 H +ATOM 647 HG LEU B 142 1.090 -0.744 -11.443 1.00 0.00 H +ATOM 648 HD11 LEU B 142 0.445 0.904 -13.193 1.00 0.00 H +ATOM 649 HD12 LEU B 142 0.537 2.205 -11.979 1.00 0.00 H +ATOM 650 HD13 LEU B 142 1.998 1.313 -12.442 1.00 0.00 H +ATOM 651 HD21 LEU B 142 0.883 1.622 -9.534 1.00 0.00 H +ATOM 652 HD22 LEU B 142 1.355 -0.048 -9.130 1.00 0.00 H +ATOM 653 HD23 LEU B 142 2.412 0.929 -10.128 1.00 0.00 H +ATOM 654 N ARG B 143 -3.312 -1.980 -10.297 1.00 0.00 N +ATOM 655 CA ARG B 143 -4.715 -2.443 -10.322 1.00 0.00 C +ATOM 656 C ARG B 143 -5.272 -2.582 -8.899 1.00 0.00 C +ATOM 657 O ARG B 143 -6.356 -2.071 -8.615 1.00 0.00 O +ATOM 658 CB ARG B 143 -4.831 -3.744 -11.138 1.00 0.00 C +ATOM 659 CG ARG B 143 -4.542 -3.482 -12.627 1.00 0.00 C +ATOM 660 CD ARG B 143 -4.352 -4.744 -13.475 1.00 0.00 C +ATOM 661 NE ARG B 143 -5.559 -5.586 -13.551 1.00 0.00 N +ATOM 662 CZ ARG B 143 -5.844 -6.459 -14.503 1.00 0.00 C +ATOM 663 NH1 ARG B 143 -5.079 -6.652 -15.543 1.00 0.00 N +ATOM 664 NH2 ARG B 143 -6.934 -7.168 -14.431 1.00 0.00 N +ATOM 665 H ARG B 143 -2.584 -2.571 -10.689 1.00 0.00 H +ATOM 666 HA ARG B 143 -5.330 -1.680 -10.803 1.00 0.00 H +ATOM 667 HB2 ARG B 143 -4.131 -4.481 -10.748 1.00 0.00 H +ATOM 668 HB3 ARG B 143 -5.843 -4.140 -11.038 1.00 0.00 H +ATOM 669 HG2 ARG B 143 -5.351 -2.885 -13.050 1.00 0.00 H +ATOM 670 HG3 ARG B 143 -3.621 -2.907 -12.718 1.00 0.00 H +ATOM 671 HD2 ARG B 143 -4.087 -4.412 -14.477 1.00 0.00 H +ATOM 672 HD3 ARG B 143 -3.520 -5.327 -13.075 1.00 0.00 H +ATOM 673 HE ARG B 143 -6.235 -5.518 -12.807 1.00 0.00 H +ATOM 674 HH11 ARG B 143 -4.220 -6.114 -15.662 1.00 0.00 H +ATOM 675 HH12 ARG B 143 -5.328 -7.331 -16.239 1.00 0.00 H +ATOM 676 HH21 ARG B 143 -7.563 -7.060 -13.650 1.00 0.00 H +ATOM 677 HH22 ARG B 143 -7.153 -7.833 -15.156 1.00 0.00 H +ATOM 678 N ALA B 144 -4.522 -3.216 -7.993 1.00 0.00 N +ATOM 679 CA ALA B 144 -4.864 -3.333 -6.575 1.00 0.00 C +ATOM 680 C ALA B 144 -4.956 -1.938 -5.915 1.00 0.00 C +ATOM 681 O ALA B 144 -5.940 -1.652 -5.239 1.00 0.00 O +ATOM 682 CB ALA B 144 -3.866 -4.266 -5.871 1.00 0.00 C +ATOM 683 H ALA B 144 -3.634 -3.592 -8.304 1.00 0.00 H +ATOM 684 HA ALA B 144 -5.853 -3.788 -6.501 1.00 0.00 H +ATOM 685 HB1 ALA B 144 -4.178 -4.420 -4.839 1.00 0.00 H +ATOM 686 HB2 ALA B 144 -3.826 -5.232 -6.378 1.00 0.00 H +ATOM 687 HB3 ALA B 144 -2.869 -3.828 -5.874 1.00 0.00 H +ATOM 688 N LEU B 145 -3.978 -1.046 -6.121 1.00 0.00 N +ATOM 689 CA LEU B 145 -3.997 0.332 -5.595 1.00 0.00 C +ATOM 690 C LEU B 145 -5.165 1.175 -6.148 1.00 0.00 C +ATOM 691 O LEU B 145 -5.633 2.097 -5.483 1.00 0.00 O +ATOM 692 CB LEU B 145 -2.679 1.067 -5.892 1.00 0.00 C +ATOM 693 CG LEU B 145 -1.391 0.446 -5.337 1.00 0.00 C +ATOM 694 CD1 LEU B 145 -0.209 1.339 -5.667 1.00 0.00 C +ATOM 695 CD2 LEU B 145 -1.394 0.254 -3.826 1.00 0.00 C +ATOM 696 H LEU B 145 -3.197 -1.348 -6.696 1.00 0.00 H +ATOM 697 HA LEU B 145 -4.130 0.286 -4.514 1.00 0.00 H +ATOM 698 HB2 LEU B 145 -2.574 1.166 -6.974 1.00 0.00 H +ATOM 699 HB3 LEU B 145 -2.767 2.066 -5.471 1.00 0.00 H +ATOM 700 HG LEU B 145 -1.201 -0.505 -5.808 1.00 0.00 H +ATOM 701 HD11 LEU B 145 -0.230 1.596 -6.728 1.00 0.00 H +ATOM 702 HD12 LEU B 145 -0.233 2.241 -5.057 1.00 0.00 H +ATOM 703 HD13 LEU B 145 0.702 0.789 -5.444 1.00 0.00 H +ATOM 704 HD21 LEU B 145 -0.414 -0.119 -3.528 1.00 0.00 H +ATOM 705 HD22 LEU B 145 -1.593 1.199 -3.325 1.00 0.00 H +ATOM 706 HD23 LEU B 145 -2.151 -0.479 -3.552 1.00 0.00 H +ATOM 707 N ASP B 146 -5.617 0.918 -7.376 1.00 0.00 N +ATOM 708 CA ASP B 146 -6.715 1.642 -8.028 1.00 0.00 C +ATOM 709 C ASP B 146 -8.065 1.427 -7.325 1.00 0.00 C +ATOM 710 O ASP B 146 -8.854 2.366 -7.207 1.00 0.00 O +ATOM 711 CB ASP B 146 -6.808 1.246 -9.511 1.00 0.00 C +ATOM 712 CG ASP B 146 -7.507 2.342 -10.321 1.00 0.00 C +ATOM 713 OD1 ASP B 146 -6.839 3.355 -10.626 1.00 0.00 O +ATOM 714 OD2 ASP B 146 -8.716 2.238 -10.628 1.00 0.00 O +ATOM 715 H ASP B 146 -5.137 0.196 -7.901 1.00 0.00 H +ATOM 716 HA ASP B 146 -6.491 2.708 -7.974 1.00 0.00 H +ATOM 717 HB2 ASP B 146 -5.807 1.119 -9.920 1.00 0.00 H +ATOM 718 HB3 ASP B 146 -7.339 0.298 -9.614 1.00 0.00 H +ATOM 719 N GLN B 147 -8.333 0.203 -6.848 1.00 0.00 N +ATOM 720 CA GLN B 147 -9.583 -0.218 -6.188 1.00 0.00 C +ATOM 721 C GLN B 147 -10.004 0.628 -4.963 1.00 0.00 C +ATOM 722 O GLN B 147 -11.156 0.551 -4.532 1.00 0.00 O +ATOM 723 CB GLN B 147 -9.515 -1.726 -5.866 1.00 0.00 C +ATOM 724 CG GLN B 147 -8.932 -2.057 -4.478 1.00 0.00 C +ATOM 725 CD GLN B 147 -8.406 -3.488 -4.338 1.00 0.00 C +ATOM 726 OE1 GLN B 147 -8.507 -4.336 -5.220 1.00 0.00 O +ATOM 727 NE2 GLN B 147 -7.809 -3.824 -3.216 1.00 0.00 N +ATOM 728 H GLN B 147 -7.613 -0.495 -6.992 1.00 0.00 H +ATOM 729 HA GLN B 147 -10.374 -0.094 -6.928 1.00 0.00 H +ATOM 730 HB2 GLN B 147 -10.523 -2.141 -5.914 1.00 0.00 H +ATOM 731 HB3 GLN B 147 -8.921 -2.215 -6.643 1.00 0.00 H +ATOM 732 HG2 GLN B 147 -8.129 -1.364 -4.249 1.00 0.00 H +ATOM 733 HG3 GLN B 147 -9.711 -1.909 -3.729 1.00 0.00 H +ATOM 734 HE21 GLN B 147 -7.680 -3.135 -2.484 1.00 0.00 H +ATOM 735 HE22 GLN B 147 -7.465 -4.763 -3.112 1.00 0.00 H +ATOM 736 N VAL B 148 -9.092 1.437 -4.408 1.00 0.00 N +ATOM 737 CA VAL B 148 -9.327 2.356 -3.279 1.00 0.00 C +ATOM 738 C VAL B 148 -10.398 3.412 -3.615 1.00 0.00 C +ATOM 739 O VAL B 148 -11.174 3.799 -2.737 1.00 0.00 O +ATOM 740 CB VAL B 148 -8.021 3.074 -2.862 1.00 0.00 C +ATOM 741 CG1 VAL B 148 -8.210 3.914 -1.593 1.00 0.00 C +ATOM 742 CG2 VAL B 148 -6.863 2.125 -2.538 1.00 0.00 C +ATOM 743 H VAL B 148 -8.177 1.434 -4.840 1.00 0.00 H +ATOM 744 HA VAL B 148 -9.686 1.778 -2.428 1.00 0.00 H +ATOM 745 HB VAL B 148 -7.704 3.728 -3.676 1.00 0.00 H +ATOM 746 HG11 VAL B 148 -8.890 4.744 -1.787 1.00 0.00 H +ATOM 747 HG12 VAL B 148 -8.616 3.290 -0.794 1.00 0.00 H +ATOM 748 HG13 VAL B 148 -7.251 4.317 -1.270 1.00 0.00 H +ATOM 749 HG21 VAL B 148 -6.733 1.374 -3.314 1.00 0.00 H +ATOM 750 HG22 VAL B 148 -5.941 2.704 -2.465 1.00 0.00 H +ATOM 751 HG23 VAL B 148 -7.044 1.628 -1.587 1.00 0.00 H +ATOM 752 N ASN B 149 -10.418 3.899 -4.866 1.00 0.00 N +ATOM 753 CA ASN B 149 -11.324 4.957 -5.355 1.00 0.00 C +ATOM 754 C ASN B 149 -12.832 4.678 -5.123 1.00 0.00 C +ATOM 755 O ASN B 149 -13.553 5.641 -4.767 1.00 0.00 O +ATOM 756 CB ASN B 149 -11.007 5.299 -6.831 1.00 0.00 C +ATOM 757 CG ASN B 149 -11.775 4.476 -7.863 1.00 0.00 C +ATOM 758 OD1 ASN B 149 -12.778 4.915 -8.419 1.00 0.00 O +ATOM 759 ND2 ASN B 149 -11.318 3.295 -8.199 1.00 0.00 N +ATOM 760 OXT ASN B 149 -13.292 3.530 -5.321 1.00 0.00 O +ATOM 761 H ASN B 149 -9.737 3.503 -5.501 1.00 0.00 H +ATOM 762 HA ASN B 149 -11.096 5.848 -4.768 1.00 0.00 H +ATOM 763 HB2 ASN B 149 -11.274 6.342 -6.996 1.00 0.00 H +ATOM 764 HB3 ASN B 149 -9.937 5.208 -7.026 1.00 0.00 H +ATOM 765 HD21 ASN B 149 -10.461 2.947 -7.777 1.00 0.00 H +ATOM 766 HD22 ASN B 149 -11.824 2.758 -8.883 1.00 0.00 H +TER 767 ASN B 149 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_HIF1A_1L8CB_1L8CB/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_HIF1A_1L8CB_1L8CB/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..49f76c3309b891f89b82a3f712d2962e8f744ad5 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_HIF1A_1L8CB_1L8CB/state_b.pdb @@ -0,0 +1,770 @@ +MODEL 1 +ATOM 1 N SER B 99 -10.424 14.715 6.692 1.00 0.00 N +ATOM 2 CA SER B 99 -9.341 14.635 5.685 1.00 0.00 C +ATOM 3 C SER B 99 -9.538 13.418 4.777 1.00 0.00 C +ATOM 4 O SER B 99 -10.088 13.555 3.684 1.00 0.00 O +ATOM 5 CB SER B 99 -7.957 14.664 6.350 1.00 0.00 C +ATOM 6 OG SER B 99 -7.879 13.705 7.397 1.00 0.00 O +ATOM 7 H1 SER B 99 -11.326 14.696 6.241 1.00 0.00 H +ATOM 8 H2 SER B 99 -10.354 13.935 7.329 1.00 0.00 H +ATOM 9 H3 SER B 99 -10.341 15.567 7.223 1.00 0.00 H +ATOM 10 HA SER B 99 -9.407 15.513 5.042 1.00 0.00 H +ATOM 11 HB2 SER B 99 -7.185 14.464 5.605 1.00 0.00 H +ATOM 12 HB3 SER B 99 -7.783 15.657 6.768 1.00 0.00 H +ATOM 13 HG SER B 99 -7.014 13.811 7.842 1.00 0.00 H +ATOM 14 N ASP B 100 -9.123 12.222 5.207 1.00 0.00 N +ATOM 15 CA ASP B 100 -9.245 10.942 4.494 1.00 0.00 C +ATOM 16 C ASP B 100 -9.447 9.785 5.495 1.00 0.00 C +ATOM 17 O ASP B 100 -8.847 9.779 6.575 1.00 0.00 O +ATOM 18 CB ASP B 100 -7.997 10.729 3.627 1.00 0.00 C +ATOM 19 CG ASP B 100 -8.010 9.357 2.948 1.00 0.00 C +ATOM 20 OD1 ASP B 100 -8.683 9.197 1.903 1.00 0.00 O +ATOM 21 OD2 ASP B 100 -7.354 8.426 3.464 1.00 0.00 O +ATOM 22 H ASP B 100 -8.681 12.193 6.121 1.00 0.00 H +ATOM 23 HA ASP B 100 -10.116 10.973 3.837 1.00 0.00 H +ATOM 24 HB2 ASP B 100 -7.955 11.508 2.862 1.00 0.00 H +ATOM 25 HB3 ASP B 100 -7.104 10.823 4.245 1.00 0.00 H +ATOM 26 N LEU B 101 -10.304 8.816 5.148 1.00 0.00 N +ATOM 27 CA LEU B 101 -10.657 7.673 5.997 1.00 0.00 C +ATOM 28 C LEU B 101 -9.447 6.785 6.321 1.00 0.00 C +ATOM 29 O LEU B 101 -9.161 6.561 7.494 1.00 0.00 O +ATOM 30 CB LEU B 101 -11.835 6.903 5.361 1.00 0.00 C +ATOM 31 CG LEU B 101 -12.480 5.775 6.198 1.00 0.00 C +ATOM 32 CD1 LEU B 101 -11.705 4.458 6.162 1.00 0.00 C +ATOM 33 CD2 LEU B 101 -12.732 6.160 7.657 1.00 0.00 C +ATOM 34 H LEU B 101 -10.746 8.883 4.243 1.00 0.00 H +ATOM 35 HA LEU B 101 -11.003 8.083 6.948 1.00 0.00 H +ATOM 36 HB2 LEU B 101 -12.622 7.630 5.155 1.00 0.00 H +ATOM 37 HB3 LEU B 101 -11.523 6.493 4.399 1.00 0.00 H +ATOM 38 HG LEU B 101 -13.454 5.576 5.755 1.00 0.00 H +ATOM 39 HD11 LEU B 101 -12.300 3.674 6.630 1.00 0.00 H +ATOM 40 HD12 LEU B 101 -11.512 4.173 5.127 1.00 0.00 H +ATOM 41 HD13 LEU B 101 -10.765 4.537 6.701 1.00 0.00 H +ATOM 42 HD21 LEU B 101 -13.283 5.363 8.151 1.00 0.00 H +ATOM 43 HD22 LEU B 101 -11.789 6.299 8.185 1.00 0.00 H +ATOM 44 HD23 LEU B 101 -13.312 7.082 7.702 1.00 0.00 H +ATOM 45 N ALA B 102 -8.725 6.290 5.311 1.00 0.00 N +ATOM 46 CA ALA B 102 -7.539 5.447 5.499 1.00 0.00 C +ATOM 47 C ALA B 102 -6.505 6.110 6.427 1.00 0.00 C +ATOM 48 O ALA B 102 -5.976 5.467 7.337 1.00 0.00 O +ATOM 49 CB ALA B 102 -6.919 5.127 4.136 1.00 0.00 C +ATOM 50 H ALA B 102 -8.994 6.547 4.372 1.00 0.00 H +ATOM 51 HA ALA B 102 -7.852 4.511 5.963 1.00 0.00 H +ATOM 52 HB1 ALA B 102 -6.116 4.401 4.270 1.00 0.00 H +ATOM 53 HB2 ALA B 102 -7.676 4.719 3.467 1.00 0.00 H +ATOM 54 HB3 ALA B 102 -6.495 6.028 3.696 1.00 0.00 H +ATOM 55 N CYS B 103 -6.242 7.398 6.191 1.00 0.00 N +ATOM 56 CA CYS B 103 -5.302 8.249 6.924 1.00 0.00 C +ATOM 57 C CYS B 103 -5.677 8.564 8.391 1.00 0.00 C +ATOM 58 O CYS B 103 -4.941 9.321 9.033 1.00 0.00 O +ATOM 59 CB CYS B 103 -5.101 9.550 6.129 1.00 0.00 C +ATOM 60 SG CYS B 103 -4.451 9.200 4.466 1.00 0.00 S +ATOM 61 H CYS B 103 -6.737 7.810 5.405 1.00 0.00 H +ATOM 62 HA CYS B 103 -4.342 7.741 6.963 1.00 0.00 H +ATOM 63 HB2 CYS B 103 -6.049 10.084 6.059 1.00 0.00 H +ATOM 64 HB3 CYS B 103 -4.388 10.186 6.655 1.00 0.00 H +ATOM 65 HG CYS B 103 -5.577 8.649 3.977 1.00 0.00 H +ATOM 66 N ARG B 104 -6.780 8.024 8.945 1.00 0.00 N +ATOM 67 CA ARG B 104 -7.217 8.266 10.340 1.00 0.00 C +ATOM 68 C ARG B 104 -6.075 8.075 11.353 1.00 0.00 C +ATOM 69 O ARG B 104 -5.484 6.999 11.449 1.00 0.00 O +ATOM 70 CB ARG B 104 -8.498 7.475 10.695 1.00 0.00 C +ATOM 71 CG ARG B 104 -8.361 5.995 11.106 1.00 0.00 C +ATOM 72 CD ARG B 104 -7.694 5.090 10.064 1.00 0.00 C +ATOM 73 NE ARG B 104 -7.618 3.696 10.530 1.00 0.00 N +ATOM 74 CZ ARG B 104 -7.028 2.691 9.912 1.00 0.00 C +ATOM 75 NH1 ARG B 104 -6.382 2.850 8.790 1.00 0.00 N +ATOM 76 NH2 ARG B 104 -7.088 1.499 10.430 1.00 0.00 N +ATOM 77 H ARG B 104 -7.349 7.431 8.350 1.00 0.00 H +ATOM 78 HA ARG B 104 -7.498 9.319 10.382 1.00 0.00 H +ATOM 79 HB2 ARG B 104 -8.966 7.987 11.538 1.00 0.00 H +ATOM 80 HB3 ARG B 104 -9.201 7.549 9.867 1.00 0.00 H +ATOM 81 HG2 ARG B 104 -7.803 5.933 12.041 1.00 0.00 H +ATOM 82 HG3 ARG B 104 -9.362 5.610 11.301 1.00 0.00 H +ATOM 83 HD2 ARG B 104 -8.274 5.115 9.145 1.00 0.00 H +ATOM 84 HD3 ARG B 104 -6.687 5.456 9.859 1.00 0.00 H +ATOM 85 HE ARG B 104 -8.080 3.467 11.396 1.00 0.00 H +ATOM 86 HH11 ARG B 104 -6.295 3.782 8.401 1.00 0.00 H +ATOM 87 HH12 ARG B 104 -5.932 2.071 8.345 1.00 0.00 H +ATOM 88 HH21 ARG B 104 -7.577 1.358 11.299 1.00 0.00 H +ATOM 89 HH22 ARG B 104 -6.666 0.692 9.994 1.00 0.00 H +ATOM 90 N LEU B 105 -5.745 9.152 12.070 1.00 0.00 N +ATOM 91 CA LEU B 105 -4.643 9.279 13.033 1.00 0.00 C +ATOM 92 C LEU B 105 -3.357 8.530 12.620 1.00 0.00 C +ATOM 93 O LEU B 105 -2.844 7.697 13.371 1.00 0.00 O +ATOM 94 CB LEU B 105 -5.092 8.909 14.464 1.00 0.00 C +ATOM 95 CG LEU B 105 -6.332 9.615 15.022 1.00 0.00 C +ATOM 96 CD1 LEU B 105 -6.558 9.182 16.471 1.00 0.00 C +ATOM 97 CD2 LEU B 105 -6.216 11.141 14.990 1.00 0.00 C +ATOM 98 H LEU B 105 -6.285 9.981 11.872 1.00 0.00 H +ATOM 99 HA LEU B 105 -4.360 10.332 13.056 1.00 0.00 H +ATOM 100 HB2 LEU B 105 -5.288 7.838 14.493 1.00 0.00 H +ATOM 101 HB3 LEU B 105 -4.263 9.128 15.135 1.00 0.00 H +ATOM 102 HG LEU B 105 -7.188 9.299 14.438 1.00 0.00 H +ATOM 103 HD11 LEU B 105 -6.664 8.098 16.517 1.00 0.00 H +ATOM 104 HD12 LEU B 105 -5.714 9.486 17.092 1.00 0.00 H +ATOM 105 HD13 LEU B 105 -7.470 9.638 16.855 1.00 0.00 H +ATOM 106 HD21 LEU B 105 -5.325 11.460 15.532 1.00 0.00 H +ATOM 107 HD22 LEU B 105 -6.159 11.492 13.960 1.00 0.00 H +ATOM 108 HD23 LEU B 105 -7.096 11.587 15.454 1.00 0.00 H +ATOM 109 N LEU B 106 -2.790 8.863 11.455 1.00 0.00 N +ATOM 110 CA LEU B 106 -1.490 8.325 11.013 1.00 0.00 C +ATOM 111 C LEU B 106 -0.385 8.628 12.046 1.00 0.00 C +ATOM 112 O LEU B 106 0.505 7.803 12.264 1.00 0.00 O +ATOM 113 CB LEU B 106 -1.135 8.862 9.614 1.00 0.00 C +ATOM 114 CG LEU B 106 -1.626 7.980 8.449 1.00 0.00 C +ATOM 115 CD1 LEU B 106 -1.490 8.769 7.151 1.00 0.00 C +ATOM 116 CD2 LEU B 106 -0.755 6.727 8.325 1.00 0.00 C +ATOM 117 H LEU B 106 -3.262 9.553 10.884 1.00 0.00 H +ATOM 118 HA LEU B 106 -1.568 7.239 10.967 1.00 0.00 H +ATOM 119 HB2 LEU B 106 -1.547 9.868 9.509 1.00 0.00 H +ATOM 120 HB3 LEU B 106 -0.054 8.953 9.525 1.00 0.00 H +ATOM 121 HG LEU B 106 -2.670 7.684 8.575 1.00 0.00 H +ATOM 122 HD11 LEU B 106 -2.109 9.663 7.201 1.00 0.00 H +ATOM 123 HD12 LEU B 106 -0.451 9.060 7.002 1.00 0.00 H +ATOM 124 HD13 LEU B 106 -1.819 8.166 6.307 1.00 0.00 H +ATOM 125 HD21 LEU B 106 0.293 7.009 8.225 1.00 0.00 H +ATOM 126 HD22 LEU B 106 -0.878 6.093 9.201 1.00 0.00 H +ATOM 127 HD23 LEU B 106 -1.046 6.162 7.445 1.00 0.00 H +ATOM 128 N GLY B 107 -0.481 9.790 12.711 1.00 0.00 N +ATOM 129 CA GLY B 107 0.375 10.276 13.803 1.00 0.00 C +ATOM 130 C GLY B 107 0.749 9.198 14.831 1.00 0.00 C +ATOM 131 O GLY B 107 1.900 9.146 15.266 1.00 0.00 O +ATOM 132 H GLY B 107 -1.265 10.371 12.447 1.00 0.00 H +ATOM 133 HA2 GLY B 107 1.286 10.701 13.386 1.00 0.00 H +ATOM 134 HA3 GLY B 107 -0.148 11.072 14.333 1.00 0.00 H +ATOM 135 N GLN B 108 -0.207 8.323 15.177 1.00 0.00 N +ATOM 136 CA GLN B 108 -0.062 7.168 16.078 1.00 0.00 C +ATOM 137 C GLN B 108 1.248 6.398 15.832 1.00 0.00 C +ATOM 138 O GLN B 108 2.058 6.204 16.741 1.00 0.00 O +ATOM 139 CB GLN B 108 -1.236 6.198 15.850 1.00 0.00 C +ATOM 140 CG GLN B 108 -2.595 6.656 16.407 1.00 0.00 C +ATOM 141 CD GLN B 108 -3.672 5.616 16.106 1.00 0.00 C +ATOM 142 OE1 GLN B 108 -4.159 4.905 16.978 1.00 0.00 O +ATOM 143 NE2 GLN B 108 -4.080 5.483 14.861 1.00 0.00 N +ATOM 144 H GLN B 108 -1.103 8.444 14.722 1.00 0.00 H +ATOM 145 HA GLN B 108 -0.069 7.507 17.115 1.00 0.00 H +ATOM 146 HB2 GLN B 108 -1.334 6.019 14.777 1.00 0.00 H +ATOM 147 HB3 GLN B 108 -0.980 5.237 16.301 1.00 0.00 H +ATOM 148 HG2 GLN B 108 -2.519 6.795 17.485 1.00 0.00 H +ATOM 149 HG3 GLN B 108 -2.898 7.604 15.962 1.00 0.00 H +ATOM 150 HE21 GLN B 108 -3.674 6.085 14.150 1.00 0.00 H +ATOM 151 HE22 GLN B 108 -4.789 4.801 14.647 1.00 0.00 H +ATOM 152 N SER B 109 1.423 5.946 14.590 1.00 0.00 N +ATOM 153 CA SER B 109 2.553 5.152 14.103 1.00 0.00 C +ATOM 154 C SER B 109 3.685 6.018 13.534 1.00 0.00 C +ATOM 155 O SER B 109 4.854 5.678 13.707 1.00 0.00 O +ATOM 156 CB SER B 109 2.050 4.185 13.033 1.00 0.00 C +ATOM 157 OG SER B 109 1.048 3.326 13.551 1.00 0.00 O +ATOM 158 H SER B 109 0.684 6.157 13.932 1.00 0.00 H +ATOM 159 HA SER B 109 2.962 4.561 14.923 1.00 0.00 H +ATOM 160 HB2 SER B 109 1.622 4.767 12.219 1.00 0.00 H +ATOM 161 HB3 SER B 109 2.884 3.588 12.667 1.00 0.00 H +ATOM 162 HG SER B 109 0.869 2.645 12.878 1.00 0.00 H +ATOM 163 N MET B 110 3.361 7.138 12.869 1.00 0.00 N +ATOM 164 CA MET B 110 4.331 8.088 12.286 1.00 0.00 C +ATOM 165 C MET B 110 5.351 8.613 13.312 1.00 0.00 C +ATOM 166 O MET B 110 6.498 8.888 12.958 1.00 0.00 O +ATOM 167 CB MET B 110 3.604 9.280 11.642 1.00 0.00 C +ATOM 168 CG MET B 110 2.748 8.922 10.419 1.00 0.00 C +ATOM 169 SD MET B 110 3.476 9.228 8.783 1.00 0.00 S +ATOM 170 CE MET B 110 4.975 8.218 8.879 1.00 0.00 C +ATOM 171 H MET B 110 2.371 7.348 12.774 1.00 0.00 H +ATOM 172 HA MET B 110 4.899 7.567 11.518 1.00 0.00 H +ATOM 173 HB2 MET B 110 2.962 9.728 12.397 1.00 0.00 H +ATOM 174 HB3 MET B 110 4.333 10.036 11.345 1.00 0.00 H +ATOM 175 HG2 MET B 110 2.438 7.878 10.477 1.00 0.00 H +ATOM 176 HG3 MET B 110 1.848 9.534 10.476 1.00 0.00 H +ATOM 177 HE1 MET B 110 4.724 7.219 9.230 1.00 0.00 H +ATOM 178 HE2 MET B 110 5.438 8.144 7.896 1.00 0.00 H +ATOM 179 HE3 MET B 110 5.681 8.674 9.572 1.00 0.00 H +ATOM 180 N ASP B 111 4.942 8.747 14.579 1.00 0.00 N +ATOM 181 CA ASP B 111 5.774 9.180 15.710 1.00 0.00 C +ATOM 182 C ASP B 111 7.054 8.334 15.881 1.00 0.00 C +ATOM 183 O ASP B 111 8.100 8.859 16.271 1.00 0.00 O +ATOM 184 CB ASP B 111 4.922 9.141 16.987 1.00 0.00 C +ATOM 185 CG ASP B 111 5.705 9.620 18.223 1.00 0.00 C +ATOM 186 OD1 ASP B 111 5.954 10.843 18.345 1.00 0.00 O +ATOM 187 OD2 ASP B 111 6.050 8.780 19.089 1.00 0.00 O +ATOM 188 H ASP B 111 3.975 8.516 14.769 1.00 0.00 H +ATOM 189 HA ASP B 111 6.082 10.212 15.538 1.00 0.00 H +ATOM 190 HB2 ASP B 111 4.051 9.784 16.853 1.00 0.00 H +ATOM 191 HB3 ASP B 111 4.565 8.121 17.146 1.00 0.00 H +ATOM 192 N GLU B 112 6.993 7.031 15.579 1.00 0.00 N +ATOM 193 CA GLU B 112 8.125 6.101 15.654 1.00 0.00 C +ATOM 194 C GLU B 112 9.101 6.318 14.478 1.00 0.00 C +ATOM 195 O GLU B 112 8.974 5.705 13.414 1.00 0.00 O +ATOM 196 CB GLU B 112 7.626 4.646 15.709 1.00 0.00 C +ATOM 197 CG GLU B 112 6.833 4.352 16.990 1.00 0.00 C +ATOM 198 CD GLU B 112 6.467 2.860 17.078 1.00 0.00 C +ATOM 199 OE1 GLU B 112 7.375 2.031 17.337 1.00 0.00 O +ATOM 200 OE2 GLU B 112 5.274 2.512 16.910 1.00 0.00 O +ATOM 201 H GLU B 112 6.111 6.675 15.231 1.00 0.00 H +ATOM 202 HA GLU B 112 8.677 6.288 16.577 1.00 0.00 H +ATOM 203 HB2 GLU B 112 6.999 4.432 14.842 1.00 0.00 H +ATOM 204 HB3 GLU B 112 8.493 3.985 15.678 1.00 0.00 H +ATOM 205 HG2 GLU B 112 7.438 4.632 17.856 1.00 0.00 H +ATOM 206 HG3 GLU B 112 5.926 4.962 17.004 1.00 0.00 H +ATOM 207 N SER B 113 10.082 7.208 14.682 1.00 0.00 N +ATOM 208 CA SER B 113 11.149 7.626 13.751 1.00 0.00 C +ATOM 209 C SER B 113 10.658 8.421 12.526 1.00 0.00 C +ATOM 210 O SER B 113 11.096 9.553 12.305 1.00 0.00 O +ATOM 211 CB SER B 113 12.033 6.442 13.318 1.00 0.00 C +ATOM 212 OG SER B 113 12.558 5.739 14.439 1.00 0.00 O +ATOM 213 H SER B 113 10.064 7.664 15.584 1.00 0.00 H +ATOM 214 HA SER B 113 11.797 8.305 14.304 1.00 0.00 H +ATOM 215 HB2 SER B 113 11.454 5.751 12.703 1.00 0.00 H +ATOM 216 HB3 SER B 113 12.860 6.819 12.712 1.00 0.00 H +ATOM 217 HG SER B 113 13.102 6.356 14.965 1.00 0.00 H +ATOM 218 N GLY B 114 9.771 7.835 11.723 1.00 0.00 N +ATOM 219 CA GLY B 114 9.190 8.388 10.496 1.00 0.00 C +ATOM 220 C GLY B 114 8.823 7.251 9.544 1.00 0.00 C +ATOM 221 O GLY B 114 7.666 6.842 9.469 1.00 0.00 O +ATOM 222 H GLY B 114 9.468 6.912 12.020 1.00 0.00 H +ATOM 223 HA2 GLY B 114 8.289 8.951 10.740 1.00 0.00 H +ATOM 224 HA3 GLY B 114 9.899 9.053 10.002 1.00 0.00 H +ATOM 225 N LEU B 115 9.833 6.703 8.862 1.00 0.00 N +ATOM 226 CA LEU B 115 9.735 5.545 7.965 1.00 0.00 C +ATOM 227 C LEU B 115 10.702 4.449 8.464 1.00 0.00 C +ATOM 228 O LEU B 115 11.895 4.732 8.632 1.00 0.00 O +ATOM 229 CB LEU B 115 10.046 5.945 6.511 1.00 0.00 C +ATOM 230 CG LEU B 115 9.056 6.933 5.869 1.00 0.00 C +ATOM 231 CD1 LEU B 115 9.528 7.261 4.453 1.00 0.00 C +ATOM 232 CD2 LEU B 115 7.637 6.378 5.761 1.00 0.00 C +ATOM 233 H LEU B 115 10.755 7.083 9.032 1.00 0.00 H +ATOM 234 HA LEU B 115 8.717 5.162 7.996 1.00 0.00 H +ATOM 235 HB2 LEU B 115 11.045 6.381 6.479 1.00 0.00 H +ATOM 236 HB3 LEU B 115 10.062 5.036 5.907 1.00 0.00 H +ATOM 237 HG LEU B 115 9.030 7.857 6.444 1.00 0.00 H +ATOM 238 HD11 LEU B 115 8.852 7.976 3.985 1.00 0.00 H +ATOM 239 HD12 LEU B 115 10.526 7.699 4.492 1.00 0.00 H +ATOM 240 HD13 LEU B 115 9.558 6.353 3.850 1.00 0.00 H +ATOM 241 HD21 LEU B 115 7.004 7.093 5.239 1.00 0.00 H +ATOM 242 HD22 LEU B 115 7.640 5.434 5.218 1.00 0.00 H +ATOM 243 HD23 LEU B 115 7.217 6.219 6.754 1.00 0.00 H +ATOM 244 N PRO B 116 10.226 3.217 8.729 1.00 0.00 N +ATOM 245 CA PRO B 116 11.048 2.124 9.245 1.00 0.00 C +ATOM 246 C PRO B 116 11.845 1.405 8.143 1.00 0.00 C +ATOM 247 O PRO B 116 11.709 1.689 6.950 1.00 0.00 O +ATOM 248 CB PRO B 116 10.023 1.174 9.878 1.00 0.00 C +ATOM 249 CG PRO B 116 8.853 1.276 8.901 1.00 0.00 C +ATOM 250 CD PRO B 116 8.846 2.769 8.576 1.00 0.00 C +ATOM 251 HA PRO B 116 11.738 2.483 10.011 1.00 0.00 H +ATOM 252 HB2 PRO B 116 10.384 0.150 9.977 1.00 0.00 H +ATOM 253 HB3 PRO B 116 9.728 1.564 10.851 1.00 0.00 H +ATOM 254 HG2 PRO B 116 9.063 0.696 8.000 1.00 0.00 H +ATOM 255 HG3 PRO B 116 7.916 0.951 9.342 1.00 0.00 H +ATOM 256 HD2 PRO B 116 8.496 2.928 7.557 1.00 0.00 H +ATOM 257 HD3 PRO B 116 8.207 3.297 9.285 1.00 0.00 H +ATOM 258 N GLN B 117 12.630 0.405 8.553 1.00 0.00 N +ATOM 259 CA GLN B 117 13.374 -0.502 7.675 1.00 0.00 C +ATOM 260 C GLN B 117 12.839 -1.929 7.854 1.00 0.00 C +ATOM 261 O GLN B 117 13.545 -2.856 8.260 1.00 0.00 O +ATOM 262 CB GLN B 117 14.892 -0.365 7.889 1.00 0.00 C +ATOM 263 CG GLN B 117 15.421 0.921 7.241 1.00 0.00 C +ATOM 264 CD GLN B 117 16.923 1.093 7.457 1.00 0.00 C +ATOM 265 OE1 GLN B 117 17.744 0.803 6.593 1.00 0.00 O +ATOM 266 NE2 GLN B 117 17.347 1.571 8.608 1.00 0.00 N +ATOM 267 H GLN B 117 12.656 0.218 9.548 1.00 0.00 H +ATOM 268 HA GLN B 117 13.169 -0.253 6.634 1.00 0.00 H +ATOM 269 HB2 GLN B 117 15.118 -0.372 8.957 1.00 0.00 H +ATOM 270 HB3 GLN B 117 15.401 -1.207 7.418 1.00 0.00 H +ATOM 271 HG2 GLN B 117 15.222 0.872 6.169 1.00 0.00 H +ATOM 272 HG3 GLN B 117 14.898 1.784 7.652 1.00 0.00 H +ATOM 273 HE21 GLN B 117 16.696 1.821 9.340 1.00 0.00 H +ATOM 274 HE22 GLN B 117 18.344 1.679 8.735 1.00 0.00 H +ATOM 275 N LEU B 118 11.556 -2.089 7.510 1.00 0.00 N +ATOM 276 CA LEU B 118 10.860 -3.374 7.473 1.00 0.00 C +ATOM 277 C LEU B 118 11.402 -4.204 6.292 1.00 0.00 C +ATOM 278 O LEU B 118 12.107 -3.697 5.412 1.00 0.00 O +ATOM 279 CB LEU B 118 9.340 -3.141 7.339 1.00 0.00 C +ATOM 280 CG LEU B 118 8.655 -2.525 8.572 1.00 0.00 C +ATOM 281 CD1 LEU B 118 7.236 -2.093 8.202 1.00 0.00 C +ATOM 282 CD2 LEU B 118 8.557 -3.499 9.746 1.00 0.00 C +ATOM 283 H LEU B 118 11.075 -1.272 7.163 1.00 0.00 H +ATOM 284 HA LEU B 118 11.065 -3.930 8.389 1.00 0.00 H +ATOM 285 HB2 LEU B 118 9.174 -2.484 6.485 1.00 0.00 H +ATOM 286 HB3 LEU B 118 8.852 -4.091 7.119 1.00 0.00 H +ATOM 287 HG LEU B 118 9.206 -1.644 8.894 1.00 0.00 H +ATOM 288 HD11 LEU B 118 7.283 -1.318 7.439 1.00 0.00 H +ATOM 289 HD12 LEU B 118 6.680 -2.943 7.811 1.00 0.00 H +ATOM 290 HD13 LEU B 118 6.722 -1.695 9.076 1.00 0.00 H +ATOM 291 HD21 LEU B 118 9.557 -3.787 10.070 1.00 0.00 H +ATOM 292 HD22 LEU B 118 8.052 -3.011 10.582 1.00 0.00 H +ATOM 293 HD23 LEU B 118 7.996 -4.387 9.454 1.00 0.00 H +ATOM 294 N THR B 119 11.079 -5.492 6.270 1.00 0.00 N +ATOM 295 CA THR B 119 11.507 -6.442 5.234 1.00 0.00 C +ATOM 296 C THR B 119 10.370 -7.390 4.869 1.00 0.00 C +ATOM 297 O THR B 119 9.366 -7.481 5.580 1.00 0.00 O +ATOM 298 CB THR B 119 12.731 -7.259 5.696 1.00 0.00 C +ATOM 299 OG1 THR B 119 12.426 -8.005 6.859 1.00 0.00 O +ATOM 300 CG2 THR B 119 13.953 -6.381 5.987 1.00 0.00 C +ATOM 301 H THR B 119 10.495 -5.856 7.007 1.00 0.00 H +ATOM 302 HA THR B 119 11.779 -5.899 4.328 1.00 0.00 H +ATOM 303 HB THR B 119 13.004 -7.960 4.906 1.00 0.00 H +ATOM 304 HG1 THR B 119 13.258 -8.385 7.187 1.00 0.00 H +ATOM 305 HG21 THR B 119 14.178 -5.763 5.117 1.00 0.00 H +ATOM 306 HG22 THR B 119 13.766 -5.730 6.841 1.00 0.00 H +ATOM 307 HG23 THR B 119 14.816 -7.011 6.203 1.00 0.00 H +ATOM 308 N SER B 120 10.545 -8.142 3.779 1.00 0.00 N +ATOM 309 CA SER B 120 9.612 -9.186 3.335 1.00 0.00 C +ATOM 310 C SER B 120 9.338 -10.149 4.495 1.00 0.00 C +ATOM 311 O SER B 120 8.184 -10.337 4.873 1.00 0.00 O +ATOM 312 CB SER B 120 10.166 -9.918 2.106 1.00 0.00 C +ATOM 313 OG SER B 120 11.534 -10.255 2.298 1.00 0.00 O +ATOM 314 H SER B 120 11.406 -8.061 3.259 1.00 0.00 H +ATOM 315 HA SER B 120 8.664 -8.725 3.057 1.00 0.00 H +ATOM 316 HB2 SER B 120 9.580 -10.817 1.919 1.00 0.00 H +ATOM 317 HB3 SER B 120 10.076 -9.265 1.238 1.00 0.00 H +ATOM 318 HG SER B 120 11.881 -10.647 1.475 1.00 0.00 H +ATOM 319 N TYR B 121 10.399 -10.689 5.109 1.00 0.00 N +ATOM 320 CA TYR B 121 10.348 -11.555 6.288 1.00 0.00 C +ATOM 321 C TYR B 121 9.521 -10.937 7.429 1.00 0.00 C +ATOM 322 O TYR B 121 8.548 -11.549 7.869 1.00 0.00 O +ATOM 323 CB TYR B 121 11.771 -11.899 6.755 1.00 0.00 C +ATOM 324 CG TYR B 121 11.799 -12.860 7.930 1.00 0.00 C +ATOM 325 CD1 TYR B 121 11.825 -14.251 7.702 1.00 0.00 C +ATOM 326 CD2 TYR B 121 11.752 -12.368 9.250 1.00 0.00 C +ATOM 327 CE1 TYR B 121 11.803 -15.146 8.789 1.00 0.00 C +ATOM 328 CE2 TYR B 121 11.710 -13.260 10.339 1.00 0.00 C +ATOM 329 CZ TYR B 121 11.741 -14.653 10.111 1.00 0.00 C +ATOM 330 OH TYR B 121 11.700 -15.511 11.168 1.00 0.00 O +ATOM 331 H TYR B 121 11.299 -10.434 4.725 1.00 0.00 H +ATOM 332 HA TYR B 121 9.857 -12.486 6.001 1.00 0.00 H +ATOM 333 HB2 TYR B 121 12.316 -12.345 5.922 1.00 0.00 H +ATOM 334 HB3 TYR B 121 12.291 -10.981 7.034 1.00 0.00 H +ATOM 335 HD1 TYR B 121 11.856 -14.631 6.689 1.00 0.00 H +ATOM 336 HD2 TYR B 121 11.725 -11.299 9.430 1.00 0.00 H +ATOM 337 HE1 TYR B 121 11.821 -16.213 8.612 1.00 0.00 H +ATOM 338 HE2 TYR B 121 11.629 -12.890 11.352 1.00 0.00 H +ATOM 339 HH TYR B 121 11.734 -16.441 10.883 1.00 0.00 H +ATOM 340 N ASP B 122 9.880 -9.738 7.910 1.00 0.00 N +ATOM 341 CA ASP B 122 9.168 -9.040 8.993 1.00 0.00 C +ATOM 342 C ASP B 122 7.665 -8.908 8.699 1.00 0.00 C +ATOM 343 O ASP B 122 6.836 -9.290 9.527 1.00 0.00 O +ATOM 344 CB ASP B 122 9.784 -7.654 9.260 1.00 0.00 C +ATOM 345 CG ASP B 122 10.923 -7.658 10.297 1.00 0.00 C +ATOM 346 OD1 ASP B 122 11.634 -8.677 10.460 1.00 0.00 O +ATOM 347 OD2 ASP B 122 11.090 -6.620 10.983 1.00 0.00 O +ATOM 348 H ASP B 122 10.684 -9.284 7.495 1.00 0.00 H +ATOM 349 HA ASP B 122 9.251 -9.634 9.904 1.00 0.00 H +ATOM 350 HB2 ASP B 122 10.135 -7.214 8.327 1.00 0.00 H +ATOM 351 HB3 ASP B 122 8.996 -7.001 9.643 1.00 0.00 H +ATOM 352 N CYS B 123 7.309 -8.382 7.527 1.00 0.00 N +ATOM 353 CA CYS B 123 5.927 -8.204 7.086 1.00 0.00 C +ATOM 354 C CYS B 123 5.171 -9.546 6.988 1.00 0.00 C +ATOM 355 O CYS B 123 4.072 -9.660 7.530 1.00 0.00 O +ATOM 356 CB CYS B 123 5.921 -7.411 5.775 1.00 0.00 C +ATOM 357 SG CYS B 123 6.492 -5.709 6.051 1.00 0.00 S +ATOM 358 H CYS B 123 8.055 -8.111 6.895 1.00 0.00 H +ATOM 359 HA CYS B 123 5.404 -7.614 7.838 1.00 0.00 H +ATOM 360 HB2 CYS B 123 6.567 -7.899 5.043 1.00 0.00 H +ATOM 361 HB3 CYS B 123 4.903 -7.368 5.397 1.00 0.00 H +ATOM 362 HG CYS B 123 5.551 -5.369 6.944 1.00 0.00 H +ATOM 363 N GLU B 124 5.754 -10.567 6.348 1.00 0.00 N +ATOM 364 CA GLU B 124 5.205 -11.932 6.233 1.00 0.00 C +ATOM 365 C GLU B 124 4.890 -12.533 7.613 1.00 0.00 C +ATOM 366 O GLU B 124 3.815 -13.095 7.820 1.00 0.00 O +ATOM 367 CB GLU B 124 6.184 -12.856 5.484 1.00 0.00 C +ATOM 368 CG GLU B 124 6.162 -12.671 3.960 1.00 0.00 C +ATOM 369 CD GLU B 124 7.277 -13.486 3.285 1.00 0.00 C +ATOM 370 OE1 GLU B 124 7.189 -14.739 3.273 1.00 0.00 O +ATOM 371 OE2 GLU B 124 8.239 -12.898 2.740 1.00 0.00 O +ATOM 372 H GLU B 124 6.674 -10.401 5.950 1.00 0.00 H +ATOM 373 HA GLU B 124 4.264 -11.902 5.686 1.00 0.00 H +ATOM 374 HB2 GLU B 124 7.195 -12.696 5.855 1.00 0.00 H +ATOM 375 HB3 GLU B 124 5.918 -13.889 5.700 1.00 0.00 H +ATOM 376 HG2 GLU B 124 5.191 -12.990 3.576 1.00 0.00 H +ATOM 377 HG3 GLU B 124 6.280 -11.618 3.716 1.00 0.00 H +ATOM 378 N VAL B 125 5.828 -12.413 8.555 1.00 0.00 N +ATOM 379 CA VAL B 125 5.734 -12.881 9.945 1.00 0.00 C +ATOM 380 C VAL B 125 4.627 -12.160 10.723 1.00 0.00 C +ATOM 381 O VAL B 125 3.812 -12.804 11.387 1.00 0.00 O +ATOM 382 CB VAL B 125 7.114 -12.712 10.624 1.00 0.00 C +ATOM 383 CG1 VAL B 125 7.095 -12.699 12.156 1.00 0.00 C +ATOM 384 CG2 VAL B 125 8.040 -13.843 10.165 1.00 0.00 C +ATOM 385 H VAL B 125 6.685 -11.943 8.273 1.00 0.00 H +ATOM 386 HA VAL B 125 5.479 -13.940 9.945 1.00 0.00 H +ATOM 387 HB VAL B 125 7.549 -11.763 10.314 1.00 0.00 H +ATOM 388 HG11 VAL B 125 6.605 -11.787 12.506 1.00 0.00 H +ATOM 389 HG12 VAL B 125 6.572 -13.578 12.534 1.00 0.00 H +ATOM 390 HG13 VAL B 125 8.123 -12.695 12.528 1.00 0.00 H +ATOM 391 HG21 VAL B 125 9.030 -13.695 10.590 1.00 0.00 H +ATOM 392 HG22 VAL B 125 7.649 -14.807 10.488 1.00 0.00 H +ATOM 393 HG23 VAL B 125 8.129 -13.836 9.079 1.00 0.00 H +ATOM 394 N ASN B 126 4.611 -10.826 10.685 1.00 0.00 N +ATOM 395 CA ASN B 126 3.675 -9.985 11.436 1.00 0.00 C +ATOM 396 C ASN B 126 2.239 -9.988 10.889 1.00 0.00 C +ATOM 397 O ASN B 126 1.299 -10.059 11.685 1.00 0.00 O +ATOM 398 CB ASN B 126 4.257 -8.568 11.555 1.00 0.00 C +ATOM 399 CG ASN B 126 5.339 -8.517 12.616 1.00 0.00 C +ATOM 400 OD1 ASN B 126 5.087 -8.205 13.765 1.00 0.00 O +ATOM 401 ND2 ASN B 126 6.559 -8.882 12.303 1.00 0.00 N +ATOM 402 H ASN B 126 5.324 -10.378 10.118 1.00 0.00 H +ATOM 403 HA ASN B 126 3.594 -10.390 12.445 1.00 0.00 H +ATOM 404 HB2 ASN B 126 4.652 -8.236 10.596 1.00 0.00 H +ATOM 405 HB3 ASN B 126 3.468 -7.880 11.858 1.00 0.00 H +ATOM 406 HD21 ASN B 126 6.759 -9.186 11.356 1.00 0.00 H +ATOM 407 HD22 ASN B 126 7.272 -8.842 13.012 1.00 0.00 H +ATOM 408 N ALA B 127 2.051 -9.909 9.571 1.00 0.00 N +ATOM 409 CA ALA B 127 0.740 -9.899 8.915 1.00 0.00 C +ATOM 410 C ALA B 127 0.700 -10.870 7.707 1.00 0.00 C +ATOM 411 O ALA B 127 0.735 -10.422 6.553 1.00 0.00 O +ATOM 412 CB ALA B 127 0.402 -8.444 8.553 1.00 0.00 C +ATOM 413 H ALA B 127 2.871 -9.853 8.975 1.00 0.00 H +ATOM 414 HA ALA B 127 -0.024 -10.236 9.617 1.00 0.00 H +ATOM 415 HB1 ALA B 127 0.399 -7.830 9.453 1.00 0.00 H +ATOM 416 HB2 ALA B 127 1.141 -8.050 7.853 1.00 0.00 H +ATOM 417 HB3 ALA B 127 -0.586 -8.398 8.095 1.00 0.00 H +ATOM 418 N PRO B 128 0.609 -12.196 7.948 1.00 0.00 N +ATOM 419 CA PRO B 128 0.561 -13.217 6.898 1.00 0.00 C +ATOM 420 C PRO B 128 -0.563 -13.005 5.874 1.00 0.00 C +ATOM 421 O PRO B 128 -1.712 -12.731 6.233 1.00 0.00 O +ATOM 422 CB PRO B 128 0.379 -14.562 7.616 1.00 0.00 C +ATOM 423 CG PRO B 128 0.877 -14.307 9.034 1.00 0.00 C +ATOM 424 CD PRO B 128 0.557 -12.832 9.261 1.00 0.00 C +ATOM 425 HA PRO B 128 1.522 -13.217 6.381 1.00 0.00 H +ATOM 426 HB2 PRO B 128 -0.679 -14.829 7.658 1.00 0.00 H +ATOM 427 HB3 PRO B 128 0.947 -15.355 7.129 1.00 0.00 H +ATOM 428 HG2 PRO B 128 0.372 -14.944 9.760 1.00 0.00 H +ATOM 429 HG3 PRO B 128 1.955 -14.464 9.081 1.00 0.00 H +ATOM 430 HD2 PRO B 128 -0.449 -12.733 9.671 1.00 0.00 H +ATOM 431 HD3 PRO B 128 1.286 -12.409 9.950 1.00 0.00 H +ATOM 432 N ILE B 129 -0.229 -13.170 4.593 1.00 0.00 N +ATOM 433 CA ILE B 129 -1.153 -13.087 3.449 1.00 0.00 C +ATOM 434 C ILE B 129 -2.196 -14.212 3.568 1.00 0.00 C +ATOM 435 O ILE B 129 -1.835 -15.379 3.755 1.00 0.00 O +ATOM 436 CB ILE B 129 -0.346 -13.209 2.136 1.00 0.00 C +ATOM 437 CG1 ILE B 129 0.641 -12.033 1.962 1.00 0.00 C +ATOM 438 CG2 ILE B 129 -1.239 -13.288 0.884 1.00 0.00 C +ATOM 439 CD1 ILE B 129 1.860 -12.389 1.103 1.00 0.00 C +ATOM 440 H ILE B 129 0.734 -13.401 4.405 1.00 0.00 H +ATOM 441 HA ILE B 129 -1.663 -12.123 3.466 1.00 0.00 H +ATOM 442 HB ILE B 129 0.222 -14.132 2.206 1.00 0.00 H +ATOM 443 HG12 ILE B 129 0.127 -11.184 1.520 1.00 0.00 H +ATOM 444 HG13 ILE B 129 1.007 -11.711 2.932 1.00 0.00 H +ATOM 445 HG21 ILE B 129 -1.829 -12.378 0.795 1.00 0.00 H +ATOM 446 HG22 ILE B 129 -0.630 -13.403 -0.013 1.00 0.00 H +ATOM 447 HG23 ILE B 129 -1.905 -14.149 0.932 1.00 0.00 H +ATOM 448 HD11 ILE B 129 2.519 -11.524 1.033 1.00 0.00 H +ATOM 449 HD12 ILE B 129 2.411 -13.207 1.567 1.00 0.00 H +ATOM 450 HD13 ILE B 129 1.552 -12.675 0.098 1.00 0.00 H +ATOM 451 N GLN B 130 -3.485 -13.872 3.470 1.00 0.00 N +ATOM 452 CA GLN B 130 -4.595 -14.827 3.574 1.00 0.00 C +ATOM 453 C GLN B 130 -4.496 -15.947 2.514 1.00 0.00 C +ATOM 454 O GLN B 130 -4.150 -15.700 1.356 1.00 0.00 O +ATOM 455 CB GLN B 130 -5.922 -14.053 3.487 1.00 0.00 C +ATOM 456 CG GLN B 130 -7.184 -14.903 3.704 1.00 0.00 C +ATOM 457 CD GLN B 130 -7.196 -15.616 5.055 1.00 0.00 C +ATOM 458 OE1 GLN B 130 -6.743 -16.745 5.193 1.00 0.00 O +ATOM 459 NE2 GLN B 130 -7.689 -14.991 6.104 1.00 0.00 N +ATOM 460 H GLN B 130 -3.704 -12.896 3.331 1.00 0.00 H +ATOM 461 HA GLN B 130 -4.532 -15.291 4.558 1.00 0.00 H +ATOM 462 HB2 GLN B 130 -5.911 -13.263 4.241 1.00 0.00 H +ATOM 463 HB3 GLN B 130 -5.990 -13.582 2.507 1.00 0.00 H +ATOM 464 HG2 GLN B 130 -8.058 -14.256 3.636 1.00 0.00 H +ATOM 465 HG3 GLN B 130 -7.265 -15.646 2.909 1.00 0.00 H +ATOM 466 HE21 GLN B 130 -8.054 -14.054 6.032 1.00 0.00 H +ATOM 467 HE22 GLN B 130 -7.685 -15.490 6.981 1.00 0.00 H +ATOM 468 N GLY B 131 -4.789 -17.188 2.912 1.00 0.00 N +ATOM 469 CA GLY B 131 -4.714 -18.378 2.058 1.00 0.00 C +ATOM 470 C GLY B 131 -3.296 -18.960 2.042 1.00 0.00 C +ATOM 471 O GLY B 131 -2.962 -19.812 2.869 1.00 0.00 O +ATOM 472 H GLY B 131 -5.078 -17.313 3.876 1.00 0.00 H +ATOM 473 HA2 GLY B 131 -5.397 -19.137 2.439 1.00 0.00 H +ATOM 474 HA3 GLY B 131 -5.016 -18.132 1.039 1.00 0.00 H +ATOM 475 N SER B 132 -2.461 -18.477 1.118 1.00 0.00 N +ATOM 476 CA SER B 132 -1.048 -18.856 0.933 1.00 0.00 C +ATOM 477 C SER B 132 -0.204 -17.620 0.600 1.00 0.00 C +ATOM 478 O SER B 132 -0.634 -16.764 -0.179 1.00 0.00 O +ATOM 479 CB SER B 132 -0.889 -19.879 -0.203 1.00 0.00 C +ATOM 480 OG SER B 132 -1.592 -21.084 0.066 1.00 0.00 O +ATOM 481 H SER B 132 -2.828 -17.753 0.513 1.00 0.00 H +ATOM 482 HA SER B 132 -0.663 -19.299 1.853 1.00 0.00 H +ATOM 483 HB2 SER B 132 -1.250 -19.447 -1.138 1.00 0.00 H +ATOM 484 HB3 SER B 132 0.171 -20.114 -0.319 1.00 0.00 H +ATOM 485 HG SER B 132 -2.549 -20.885 0.065 1.00 0.00 H +ATOM 486 N ARG B 133 1.004 -17.511 1.176 1.00 0.00 N +ATOM 487 CA ARG B 133 1.908 -16.373 0.940 1.00 0.00 C +ATOM 488 C ARG B 133 2.443 -16.350 -0.494 1.00 0.00 C +ATOM 489 O ARG B 133 2.783 -17.383 -1.076 1.00 0.00 O +ATOM 490 CB ARG B 133 3.043 -16.311 1.977 1.00 0.00 C +ATOM 491 CG ARG B 133 2.521 -16.285 3.429 1.00 0.00 C +ATOM 492 CD ARG B 133 3.456 -15.544 4.395 1.00 0.00 C +ATOM 493 NE ARG B 133 4.859 -15.982 4.291 1.00 0.00 N +ATOM 494 CZ ARG B 133 5.470 -16.994 4.872 1.00 0.00 C +ATOM 495 NH1 ARG B 133 4.851 -17.868 5.614 1.00 0.00 N +ATOM 496 NH2 ARG B 133 6.749 -17.122 4.697 1.00 0.00 N +ATOM 497 H ARG B 133 1.306 -18.251 1.791 1.00 0.00 H +ATOM 498 HA ARG B 133 1.315 -15.469 1.049 1.00 0.00 H +ATOM 499 HB2 ARG B 133 3.713 -17.164 1.850 1.00 0.00 H +ATOM 500 HB3 ARG B 133 3.616 -15.401 1.789 1.00 0.00 H +ATOM 501 HG2 ARG B 133 1.553 -15.784 3.462 1.00 0.00 H +ATOM 502 HG3 ARG B 133 2.383 -17.311 3.773 1.00 0.00 H +ATOM 503 HD2 ARG B 133 3.411 -14.478 4.164 1.00 0.00 H +ATOM 504 HD3 ARG B 133 3.096 -15.671 5.418 1.00 0.00 H +ATOM 505 HE ARG B 133 5.502 -15.411 3.747 1.00 0.00 H +ATOM 506 HH11 ARG B 133 3.859 -17.779 5.755 1.00 0.00 H +ATOM 507 HH12 ARG B 133 5.359 -18.625 6.039 1.00 0.00 H +ATOM 508 HH21 ARG B 133 7.201 -16.390 4.148 1.00 0.00 H +ATOM 509 HH22 ARG B 133 7.275 -17.868 5.119 1.00 0.00 H +ATOM 510 N ASN B 134 2.494 -15.145 -1.051 1.00 0.00 N +ATOM 511 CA ASN B 134 2.927 -14.811 -2.408 1.00 0.00 C +ATOM 512 C ASN B 134 3.591 -13.411 -2.420 1.00 0.00 C +ATOM 513 O ASN B 134 3.862 -12.844 -1.360 1.00 0.00 O +ATOM 514 CB ASN B 134 1.672 -14.895 -3.309 1.00 0.00 C +ATOM 515 CG ASN B 134 2.008 -15.191 -4.760 1.00 0.00 C +ATOM 516 OD1 ASN B 134 2.256 -14.301 -5.561 1.00 0.00 O +ATOM 517 ND2 ASN B 134 2.051 -16.448 -5.136 1.00 0.00 N +ATOM 518 H ASN B 134 2.199 -14.381 -0.465 1.00 0.00 H +ATOM 519 HA ASN B 134 3.669 -15.541 -2.740 1.00 0.00 H +ATOM 520 HB2 ASN B 134 1.011 -15.687 -2.956 1.00 0.00 H +ATOM 521 HB3 ASN B 134 1.112 -13.960 -3.256 1.00 0.00 H +ATOM 522 HD21 ASN B 134 1.858 -17.187 -4.475 1.00 0.00 H +ATOM 523 HD22 ASN B 134 2.273 -16.644 -6.101 1.00 0.00 H +ATOM 524 N LEU B 135 3.816 -12.834 -3.602 1.00 0.00 N +ATOM 525 CA LEU B 135 4.320 -11.476 -3.827 1.00 0.00 C +ATOM 526 C LEU B 135 3.649 -10.882 -5.077 1.00 0.00 C +ATOM 527 O LEU B 135 4.107 -11.067 -6.208 1.00 0.00 O +ATOM 528 CB LEU B 135 5.857 -11.420 -3.956 1.00 0.00 C +ATOM 529 CG LEU B 135 6.684 -11.589 -2.667 1.00 0.00 C +ATOM 530 CD1 LEU B 135 8.152 -11.346 -3.025 1.00 0.00 C +ATOM 531 CD2 LEU B 135 6.342 -10.593 -1.554 1.00 0.00 C +ATOM 532 H LEU B 135 3.514 -13.354 -4.415 1.00 0.00 H +ATOM 533 HA LEU B 135 4.030 -10.845 -2.988 1.00 0.00 H +ATOM 534 HB2 LEU B 135 6.174 -12.176 -4.677 1.00 0.00 H +ATOM 535 HB3 LEU B 135 6.110 -10.445 -4.377 1.00 0.00 H +ATOM 536 HG LEU B 135 6.580 -12.605 -2.287 1.00 0.00 H +ATOM 537 HD11 LEU B 135 8.774 -11.478 -2.142 1.00 0.00 H +ATOM 538 HD12 LEU B 135 8.461 -12.054 -3.794 1.00 0.00 H +ATOM 539 HD13 LEU B 135 8.281 -10.330 -3.398 1.00 0.00 H +ATOM 540 HD21 LEU B 135 6.473 -9.575 -1.909 1.00 0.00 H +ATOM 541 HD22 LEU B 135 5.315 -10.728 -1.222 1.00 0.00 H +ATOM 542 HD23 LEU B 135 6.995 -10.760 -0.698 1.00 0.00 H +ATOM 543 N LEU B 136 2.569 -10.137 -4.850 1.00 0.00 N +ATOM 544 CA LEU B 136 1.804 -9.372 -5.835 1.00 0.00 C +ATOM 545 C LEU B 136 2.778 -8.359 -6.477 1.00 0.00 C +ATOM 546 O LEU B 136 3.454 -7.610 -5.766 1.00 0.00 O +ATOM 547 CB LEU B 136 0.630 -8.728 -5.062 1.00 0.00 C +ATOM 548 CG LEU B 136 -0.571 -8.185 -5.852 1.00 0.00 C +ATOM 549 CD1 LEU B 136 -0.171 -7.188 -6.927 1.00 0.00 C +ATOM 550 CD2 LEU B 136 -1.417 -9.277 -6.503 1.00 0.00 C +ATOM 551 H LEU B 136 2.295 -10.047 -3.879 1.00 0.00 H +ATOM 552 HA LEU B 136 1.420 -10.051 -6.596 1.00 0.00 H +ATOM 553 HB2 LEU B 136 0.227 -9.475 -4.378 1.00 0.00 H +ATOM 554 HB3 LEU B 136 1.025 -7.918 -4.446 1.00 0.00 H +ATOM 555 HG LEU B 136 -1.212 -7.666 -5.140 1.00 0.00 H +ATOM 556 HD11 LEU B 136 -1.069 -6.672 -7.256 1.00 0.00 H +ATOM 557 HD12 LEU B 136 0.525 -6.462 -6.517 1.00 0.00 H +ATOM 558 HD13 LEU B 136 0.282 -7.700 -7.776 1.00 0.00 H +ATOM 559 HD21 LEU B 136 -0.844 -9.806 -7.265 1.00 0.00 H +ATOM 560 HD22 LEU B 136 -1.749 -9.985 -5.744 1.00 0.00 H +ATOM 561 HD23 LEU B 136 -2.298 -8.821 -6.961 1.00 0.00 H +ATOM 562 N GLN B 137 2.921 -8.384 -7.807 1.00 0.00 N +ATOM 563 CA GLN B 137 3.918 -7.589 -8.542 1.00 0.00 C +ATOM 564 C GLN B 137 3.456 -7.103 -9.929 1.00 0.00 C +ATOM 565 O GLN B 137 2.478 -7.601 -10.488 1.00 0.00 O +ATOM 566 CB GLN B 137 5.215 -8.418 -8.635 1.00 0.00 C +ATOM 567 CG GLN B 137 5.073 -9.730 -9.429 1.00 0.00 C +ATOM 568 CD GLN B 137 6.261 -10.657 -9.183 1.00 0.00 C +ATOM 569 OE1 GLN B 137 7.201 -10.740 -9.962 1.00 0.00 O +ATOM 570 NE2 GLN B 137 6.259 -11.385 -8.087 1.00 0.00 N +ATOM 571 H GLN B 137 2.368 -9.046 -8.333 1.00 0.00 H +ATOM 572 HA GLN B 137 4.146 -6.698 -7.959 1.00 0.00 H +ATOM 573 HB2 GLN B 137 5.998 -7.817 -9.099 1.00 0.00 H +ATOM 574 HB3 GLN B 137 5.537 -8.656 -7.621 1.00 0.00 H +ATOM 575 HG2 GLN B 137 4.168 -10.259 -9.131 1.00 0.00 H +ATOM 576 HG3 GLN B 137 5.001 -9.507 -10.494 1.00 0.00 H +ATOM 577 HE21 GLN B 137 5.477 -11.312 -7.438 1.00 0.00 H +ATOM 578 HE22 GLN B 137 7.037 -12.002 -7.917 1.00 0.00 H +ATOM 579 N GLY B 138 4.182 -6.126 -10.485 1.00 0.00 N +ATOM 580 CA GLY B 138 3.941 -5.515 -11.798 1.00 0.00 C +ATOM 581 C GLY B 138 2.589 -4.810 -11.933 1.00 0.00 C +ATOM 582 O GLY B 138 2.158 -4.118 -11.014 1.00 0.00 O +ATOM 583 H GLY B 138 4.968 -5.779 -9.954 1.00 0.00 H +ATOM 584 HA2 GLY B 138 4.697 -4.749 -11.960 1.00 0.00 H +ATOM 585 HA3 GLY B 138 4.034 -6.276 -12.575 1.00 0.00 H +ATOM 586 N GLU B 139 1.928 -4.948 -13.086 1.00 0.00 N +ATOM 587 CA GLU B 139 0.642 -4.298 -13.402 1.00 0.00 C +ATOM 588 C GLU B 139 -0.419 -4.488 -12.303 1.00 0.00 C +ATOM 589 O GLU B 139 -1.133 -3.550 -11.941 1.00 0.00 O +ATOM 590 CB GLU B 139 0.118 -4.824 -14.750 1.00 0.00 C +ATOM 591 CG GLU B 139 -1.044 -3.984 -15.298 1.00 0.00 C +ATOM 592 CD GLU B 139 -1.674 -4.646 -16.538 1.00 0.00 C +ATOM 593 OE1 GLU B 139 -1.139 -4.480 -17.661 1.00 0.00 O +ATOM 594 OE2 GLU B 139 -2.721 -5.325 -16.395 1.00 0.00 O +ATOM 595 H GLU B 139 2.356 -5.521 -13.799 1.00 0.00 H +ATOM 596 HA GLU B 139 0.831 -3.226 -13.491 1.00 0.00 H +ATOM 597 HB2 GLU B 139 0.928 -4.809 -15.481 1.00 0.00 H +ATOM 598 HB3 GLU B 139 -0.213 -5.856 -14.622 1.00 0.00 H +ATOM 599 HG2 GLU B 139 -1.806 -3.865 -14.527 1.00 0.00 H +ATOM 600 HG3 GLU B 139 -0.674 -2.986 -15.548 1.00 0.00 H +ATOM 601 N GLU B 140 -0.512 -5.705 -11.758 1.00 0.00 N +ATOM 602 CA GLU B 140 -1.434 -6.077 -10.683 1.00 0.00 C +ATOM 603 C GLU B 140 -1.313 -5.168 -9.449 1.00 0.00 C +ATOM 604 O GLU B 140 -2.328 -4.917 -8.800 1.00 0.00 O +ATOM 605 CB GLU B 140 -1.243 -7.550 -10.289 1.00 0.00 C +ATOM 606 CG GLU B 140 -1.893 -8.552 -11.249 1.00 0.00 C +ATOM 607 CD GLU B 140 -1.333 -8.519 -12.686 1.00 0.00 C +ATOM 608 OE1 GLU B 140 -0.103 -8.682 -12.876 1.00 0.00 O +ATOM 609 OE2 GLU B 140 -2.132 -8.358 -13.640 1.00 0.00 O +ATOM 610 H GLU B 140 0.125 -6.411 -12.109 1.00 0.00 H +ATOM 611 HA GLU B 140 -2.453 -5.953 -11.051 1.00 0.00 H +ATOM 612 HB2 GLU B 140 -0.183 -7.771 -10.178 1.00 0.00 H +ATOM 613 HB3 GLU B 140 -1.718 -7.705 -9.320 1.00 0.00 H +ATOM 614 HG2 GLU B 140 -1.746 -9.550 -10.830 1.00 0.00 H +ATOM 615 HG3 GLU B 140 -2.967 -8.356 -11.262 1.00 0.00 H +ATOM 616 N LEU B 141 -0.116 -4.641 -9.134 1.00 0.00 N +ATOM 617 CA LEU B 141 0.089 -3.692 -8.031 1.00 0.00 C +ATOM 618 C LEU B 141 -0.815 -2.478 -8.237 1.00 0.00 C +ATOM 619 O LEU B 141 -1.664 -2.184 -7.403 1.00 0.00 O +ATOM 620 CB LEU B 141 1.542 -3.189 -7.965 1.00 0.00 C +ATOM 621 CG LEU B 141 2.604 -4.215 -7.554 1.00 0.00 C +ATOM 622 CD1 LEU B 141 3.957 -3.697 -8.030 1.00 0.00 C +ATOM 623 CD2 LEU B 141 2.684 -4.367 -6.034 1.00 0.00 C +ATOM 624 H LEU B 141 0.663 -4.852 -9.749 1.00 0.00 H +ATOM 625 HA LEU B 141 -0.182 -4.160 -7.085 1.00 0.00 H +ATOM 626 HB2 LEU B 141 1.806 -2.780 -8.938 1.00 0.00 H +ATOM 627 HB3 LEU B 141 1.587 -2.355 -7.262 1.00 0.00 H +ATOM 628 HG LEU B 141 2.399 -5.179 -8.016 1.00 0.00 H +ATOM 629 HD11 LEU B 141 4.757 -4.348 -7.680 1.00 0.00 H +ATOM 630 HD12 LEU B 141 3.977 -3.659 -9.118 1.00 0.00 H +ATOM 631 HD13 LEU B 141 4.100 -2.686 -7.652 1.00 0.00 H +ATOM 632 HD21 LEU B 141 1.758 -4.782 -5.646 1.00 0.00 H +ATOM 633 HD22 LEU B 141 3.512 -5.024 -5.772 1.00 0.00 H +ATOM 634 HD23 LEU B 141 2.860 -3.401 -5.573 1.00 0.00 H +ATOM 635 N LEU B 142 -0.632 -1.777 -9.359 1.00 0.00 N +ATOM 636 CA LEU B 142 -1.380 -0.571 -9.704 1.00 0.00 C +ATOM 637 C LEU B 142 -2.889 -0.842 -9.729 1.00 0.00 C +ATOM 638 O LEU B 142 -3.656 -0.046 -9.195 1.00 0.00 O +ATOM 639 CB LEU B 142 -0.875 0.043 -11.019 1.00 0.00 C +ATOM 640 CG LEU B 142 0.653 0.214 -11.161 1.00 0.00 C +ATOM 641 CD1 LEU B 142 0.927 1.229 -12.271 1.00 0.00 C +ATOM 642 CD2 LEU B 142 1.367 0.718 -9.902 1.00 0.00 C +ATOM 643 H LEU B 142 0.071 -2.125 -9.997 1.00 0.00 H +ATOM 644 HA LEU B 142 -1.209 0.160 -8.912 1.00 0.00 H +ATOM 645 HB2 LEU B 142 -1.223 -0.569 -11.854 1.00 0.00 H +ATOM 646 HB3 LEU B 142 -1.349 1.021 -11.108 1.00 0.00 H +ATOM 647 HG LEU B 142 1.090 -0.744 -11.443 1.00 0.00 H +ATOM 648 HD11 LEU B 142 0.445 0.904 -13.193 1.00 0.00 H +ATOM 649 HD12 LEU B 142 0.537 2.205 -11.979 1.00 0.00 H +ATOM 650 HD13 LEU B 142 1.998 1.313 -12.442 1.00 0.00 H +ATOM 651 HD21 LEU B 142 0.883 1.622 -9.534 1.00 0.00 H +ATOM 652 HD22 LEU B 142 1.355 -0.048 -9.130 1.00 0.00 H +ATOM 653 HD23 LEU B 142 2.412 0.929 -10.128 1.00 0.00 H +ATOM 654 N ARG B 143 -3.312 -1.980 -10.297 1.00 0.00 N +ATOM 655 CA ARG B 143 -4.715 -2.443 -10.322 1.00 0.00 C +ATOM 656 C ARG B 143 -5.272 -2.582 -8.899 1.00 0.00 C +ATOM 657 O ARG B 143 -6.356 -2.071 -8.615 1.00 0.00 O +ATOM 658 CB ARG B 143 -4.831 -3.744 -11.138 1.00 0.00 C +ATOM 659 CG ARG B 143 -4.542 -3.482 -12.627 1.00 0.00 C +ATOM 660 CD ARG B 143 -4.352 -4.744 -13.475 1.00 0.00 C +ATOM 661 NE ARG B 143 -5.559 -5.586 -13.551 1.00 0.00 N +ATOM 662 CZ ARG B 143 -5.844 -6.459 -14.503 1.00 0.00 C +ATOM 663 NH1 ARG B 143 -5.079 -6.652 -15.543 1.00 0.00 N +ATOM 664 NH2 ARG B 143 -6.934 -7.168 -14.431 1.00 0.00 N +ATOM 665 H ARG B 143 -2.584 -2.571 -10.689 1.00 0.00 H +ATOM 666 HA ARG B 143 -5.330 -1.680 -10.803 1.00 0.00 H +ATOM 667 HB2 ARG B 143 -4.131 -4.481 -10.748 1.00 0.00 H +ATOM 668 HB3 ARG B 143 -5.843 -4.140 -11.038 1.00 0.00 H +ATOM 669 HG2 ARG B 143 -5.351 -2.885 -13.050 1.00 0.00 H +ATOM 670 HG3 ARG B 143 -3.621 -2.907 -12.718 1.00 0.00 H +ATOM 671 HD2 ARG B 143 -4.087 -4.412 -14.477 1.00 0.00 H +ATOM 672 HD3 ARG B 143 -3.520 -5.327 -13.075 1.00 0.00 H +ATOM 673 HE ARG B 143 -6.235 -5.518 -12.807 1.00 0.00 H +ATOM 674 HH11 ARG B 143 -4.220 -6.114 -15.662 1.00 0.00 H +ATOM 675 HH12 ARG B 143 -5.328 -7.331 -16.239 1.00 0.00 H +ATOM 676 HH21 ARG B 143 -7.563 -7.060 -13.650 1.00 0.00 H +ATOM 677 HH22 ARG B 143 -7.153 -7.833 -15.156 1.00 0.00 H +ATOM 678 N ALA B 144 -4.522 -3.216 -7.993 1.00 0.00 N +ATOM 679 CA ALA B 144 -4.864 -3.333 -6.575 1.00 0.00 C +ATOM 680 C ALA B 144 -4.956 -1.938 -5.915 1.00 0.00 C +ATOM 681 O ALA B 144 -5.940 -1.652 -5.239 1.00 0.00 O +ATOM 682 CB ALA B 144 -3.866 -4.266 -5.871 1.00 0.00 C +ATOM 683 H ALA B 144 -3.634 -3.592 -8.304 1.00 0.00 H +ATOM 684 HA ALA B 144 -5.853 -3.788 -6.501 1.00 0.00 H +ATOM 685 HB1 ALA B 144 -4.178 -4.420 -4.839 1.00 0.00 H +ATOM 686 HB2 ALA B 144 -3.826 -5.232 -6.378 1.00 0.00 H +ATOM 687 HB3 ALA B 144 -2.869 -3.828 -5.874 1.00 0.00 H +ATOM 688 N LEU B 145 -3.978 -1.046 -6.121 1.00 0.00 N +ATOM 689 CA LEU B 145 -3.997 0.332 -5.595 1.00 0.00 C +ATOM 690 C LEU B 145 -5.165 1.175 -6.148 1.00 0.00 C +ATOM 691 O LEU B 145 -5.633 2.097 -5.483 1.00 0.00 O +ATOM 692 CB LEU B 145 -2.679 1.067 -5.892 1.00 0.00 C +ATOM 693 CG LEU B 145 -1.391 0.446 -5.337 1.00 0.00 C +ATOM 694 CD1 LEU B 145 -0.209 1.339 -5.667 1.00 0.00 C +ATOM 695 CD2 LEU B 145 -1.394 0.254 -3.826 1.00 0.00 C +ATOM 696 H LEU B 145 -3.197 -1.348 -6.696 1.00 0.00 H +ATOM 697 HA LEU B 145 -4.130 0.286 -4.514 1.00 0.00 H +ATOM 698 HB2 LEU B 145 -2.574 1.166 -6.974 1.00 0.00 H +ATOM 699 HB3 LEU B 145 -2.767 2.066 -5.471 1.00 0.00 H +ATOM 700 HG LEU B 145 -1.201 -0.505 -5.808 1.00 0.00 H +ATOM 701 HD11 LEU B 145 -0.230 1.596 -6.728 1.00 0.00 H +ATOM 702 HD12 LEU B 145 -0.233 2.241 -5.057 1.00 0.00 H +ATOM 703 HD13 LEU B 145 0.702 0.789 -5.444 1.00 0.00 H +ATOM 704 HD21 LEU B 145 -0.414 -0.119 -3.528 1.00 0.00 H +ATOM 705 HD22 LEU B 145 -1.593 1.199 -3.325 1.00 0.00 H +ATOM 706 HD23 LEU B 145 -2.151 -0.479 -3.552 1.00 0.00 H +ATOM 707 N ASP B 146 -5.617 0.918 -7.376 1.00 0.00 N +ATOM 708 CA ASP B 146 -6.715 1.642 -8.028 1.00 0.00 C +ATOM 709 C ASP B 146 -8.065 1.427 -7.325 1.00 0.00 C +ATOM 710 O ASP B 146 -8.854 2.366 -7.207 1.00 0.00 O +ATOM 711 CB ASP B 146 -6.808 1.246 -9.511 1.00 0.00 C +ATOM 712 CG ASP B 146 -7.507 2.342 -10.321 1.00 0.00 C +ATOM 713 OD1 ASP B 146 -6.839 3.355 -10.626 1.00 0.00 O +ATOM 714 OD2 ASP B 146 -8.716 2.238 -10.628 1.00 0.00 O +ATOM 715 H ASP B 146 -5.137 0.196 -7.901 1.00 0.00 H +ATOM 716 HA ASP B 146 -6.491 2.708 -7.974 1.00 0.00 H +ATOM 717 HB2 ASP B 146 -5.807 1.119 -9.920 1.00 0.00 H +ATOM 718 HB3 ASP B 146 -7.339 0.298 -9.614 1.00 0.00 H +ATOM 719 N GLN B 147 -8.333 0.203 -6.848 1.00 0.00 N +ATOM 720 CA GLN B 147 -9.583 -0.218 -6.188 1.00 0.00 C +ATOM 721 C GLN B 147 -10.004 0.628 -4.963 1.00 0.00 C +ATOM 722 O GLN B 147 -11.156 0.551 -4.532 1.00 0.00 O +ATOM 723 CB GLN B 147 -9.515 -1.726 -5.866 1.00 0.00 C +ATOM 724 CG GLN B 147 -8.932 -2.057 -4.478 1.00 0.00 C +ATOM 725 CD GLN B 147 -8.406 -3.488 -4.338 1.00 0.00 C +ATOM 726 OE1 GLN B 147 -8.507 -4.336 -5.220 1.00 0.00 O +ATOM 727 NE2 GLN B 147 -7.809 -3.824 -3.216 1.00 0.00 N +ATOM 728 H GLN B 147 -7.613 -0.495 -6.992 1.00 0.00 H +ATOM 729 HA GLN B 147 -10.374 -0.094 -6.928 1.00 0.00 H +ATOM 730 HB2 GLN B 147 -10.523 -2.141 -5.914 1.00 0.00 H +ATOM 731 HB3 GLN B 147 -8.921 -2.215 -6.643 1.00 0.00 H +ATOM 732 HG2 GLN B 147 -8.129 -1.364 -4.249 1.00 0.00 H +ATOM 733 HG3 GLN B 147 -9.711 -1.909 -3.729 1.00 0.00 H +ATOM 734 HE21 GLN B 147 -7.680 -3.135 -2.484 1.00 0.00 H +ATOM 735 HE22 GLN B 147 -7.465 -4.763 -3.112 1.00 0.00 H +ATOM 736 N VAL B 148 -9.092 1.437 -4.408 1.00 0.00 N +ATOM 737 CA VAL B 148 -9.327 2.356 -3.279 1.00 0.00 C +ATOM 738 C VAL B 148 -10.398 3.412 -3.615 1.00 0.00 C +ATOM 739 O VAL B 148 -11.174 3.799 -2.737 1.00 0.00 O +ATOM 740 CB VAL B 148 -8.021 3.074 -2.862 1.00 0.00 C +ATOM 741 CG1 VAL B 148 -8.210 3.914 -1.593 1.00 0.00 C +ATOM 742 CG2 VAL B 148 -6.863 2.125 -2.538 1.00 0.00 C +ATOM 743 H VAL B 148 -8.177 1.434 -4.840 1.00 0.00 H +ATOM 744 HA VAL B 148 -9.686 1.778 -2.428 1.00 0.00 H +ATOM 745 HB VAL B 148 -7.704 3.728 -3.676 1.00 0.00 H +ATOM 746 HG11 VAL B 148 -8.890 4.744 -1.787 1.00 0.00 H +ATOM 747 HG12 VAL B 148 -8.616 3.290 -0.794 1.00 0.00 H +ATOM 748 HG13 VAL B 148 -7.251 4.317 -1.270 1.00 0.00 H +ATOM 749 HG21 VAL B 148 -6.733 1.374 -3.314 1.00 0.00 H +ATOM 750 HG22 VAL B 148 -5.941 2.704 -2.465 1.00 0.00 H +ATOM 751 HG23 VAL B 148 -7.044 1.628 -1.587 1.00 0.00 H +ATOM 752 N ASN B 149 -10.418 3.899 -4.866 1.00 0.00 N +ATOM 753 CA ASN B 149 -11.324 4.957 -5.355 1.00 0.00 C +ATOM 754 C ASN B 149 -12.832 4.678 -5.123 1.00 0.00 C +ATOM 755 O ASN B 149 -13.553 5.641 -4.767 1.00 0.00 O +ATOM 756 CB ASN B 149 -11.007 5.299 -6.831 1.00 0.00 C +ATOM 757 CG ASN B 149 -11.775 4.476 -7.863 1.00 0.00 C +ATOM 758 OD1 ASN B 149 -12.778 4.915 -8.419 1.00 0.00 O +ATOM 759 ND2 ASN B 149 -11.318 3.295 -8.199 1.00 0.00 N +ATOM 760 OXT ASN B 149 -13.292 3.530 -5.321 1.00 0.00 O +ATOM 761 H ASN B 149 -9.737 3.503 -5.501 1.00 0.00 H +ATOM 762 HA ASN B 149 -11.096 5.848 -4.768 1.00 0.00 H +ATOM 763 HB2 ASN B 149 -11.274 6.342 -6.996 1.00 0.00 H +ATOM 764 HB3 ASN B 149 -9.937 5.208 -7.026 1.00 0.00 H +ATOM 765 HD21 ASN B 149 -10.461 2.947 -7.777 1.00 0.00 H +ATOM 766 HD22 ASN B 149 -11.824 2.758 -8.883 1.00 0.00 H +TER 767 ASN B 149 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_HISTH1_1GHCA_1GHCA/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_HISTH1_1GHCA_1GHCA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3585f2c4bc71fd0f9f238961f8e155f8db9bd32b --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_HISTH1_1GHCA_1GHCA/state_a.pdb @@ -0,0 +1,1136 @@ +MODEL 1 +ATOM 1 N MET A 1 3.193 2.315 13.456 1.00 0.00 N +ATOM 2 CA MET A 1 4.408 1.793 12.769 1.00 0.00 C +ATOM 3 C MET A 1 4.471 0.273 12.930 1.00 0.00 C +ATOM 4 O MET A 1 4.218 -0.260 13.992 1.00 0.00 O +ATOM 5 CB MET A 1 5.657 2.424 13.391 1.00 0.00 C +ATOM 6 CG MET A 1 5.808 3.860 12.888 1.00 0.00 C +ATOM 7 SD MET A 1 6.397 4.914 14.238 1.00 0.00 S +ATOM 8 CE MET A 1 8.084 5.145 13.627 1.00 0.00 C +ATOM 9 H1 MET A 1 2.367 1.751 13.174 1.00 0.00 H +ATOM 10 H2 MET A 1 3.320 2.249 14.485 1.00 0.00 H +ATOM 11 H3 MET A 1 3.044 3.309 13.186 1.00 0.00 H +ATOM 12 HA MET A 1 4.364 2.043 11.719 1.00 0.00 H +ATOM 13 HB2 MET A 1 5.560 2.426 14.467 1.00 0.00 H +ATOM 14 HB3 MET A 1 6.528 1.852 13.109 1.00 0.00 H +ATOM 15 HG2 MET A 1 6.520 3.884 12.076 1.00 0.00 H +ATOM 16 HG3 MET A 1 4.853 4.222 12.539 1.00 0.00 H +ATOM 17 HE1 MET A 1 8.248 4.504 12.772 1.00 0.00 H +ATOM 18 HE2 MET A 1 8.225 6.173 13.335 1.00 0.00 H +ATOM 19 HE3 MET A 1 8.787 4.896 14.411 1.00 0.00 H +ATOM 20 N ALA A 2 4.807 -0.430 11.883 1.00 0.00 N +ATOM 21 CA ALA A 2 4.886 -1.915 11.977 1.00 0.00 C +ATOM 22 C ALA A 2 6.264 -2.380 11.504 1.00 0.00 C +ATOM 23 O ALA A 2 7.020 -2.971 12.249 1.00 0.00 O +ATOM 24 CB ALA A 2 3.805 -2.540 11.092 1.00 0.00 C +ATOM 25 H ALA A 2 5.007 0.019 11.036 1.00 0.00 H +ATOM 26 HA ALA A 2 4.734 -2.220 13.002 1.00 0.00 H +ATOM 27 HB1 ALA A 2 3.346 -1.772 10.487 1.00 0.00 H +ATOM 28 HB2 ALA A 2 4.252 -3.285 10.451 1.00 0.00 H +ATOM 29 HB3 ALA A 2 3.055 -3.004 11.715 1.00 0.00 H +ATOM 30 N GLY A 3 6.596 -2.116 10.270 1.00 0.00 N +ATOM 31 CA GLY A 3 7.925 -2.541 9.749 1.00 0.00 C +ATOM 32 C GLY A 3 8.921 -1.391 9.907 1.00 0.00 C +ATOM 33 O GLY A 3 8.580 -0.340 10.411 1.00 0.00 O +ATOM 34 H GLY A 3 5.971 -1.637 9.686 1.00 0.00 H +ATOM 35 HA2 GLY A 3 8.272 -3.400 10.306 1.00 0.00 H +ATOM 36 HA3 GLY A 3 7.839 -2.798 8.705 1.00 0.00 H +ATOM 37 N PRO A 4 10.125 -1.633 9.469 1.00 0.00 N +ATOM 38 CA PRO A 4 11.151 -0.576 9.585 1.00 0.00 C +ATOM 39 C PRO A 4 11.435 0.057 8.219 1.00 0.00 C +ATOM 40 O PRO A 4 12.356 0.835 8.070 1.00 0.00 O +ATOM 41 CB PRO A 4 12.391 -1.301 10.111 1.00 0.00 C +ATOM 42 CG PRO A 4 12.213 -2.785 9.740 1.00 0.00 C +ATOM 43 CD PRO A 4 10.710 -2.996 9.488 1.00 0.00 C +ATOM 44 HA PRO A 4 10.840 0.176 10.292 1.00 0.00 H +ATOM 45 HB2 PRO A 4 13.280 -0.902 9.642 1.00 0.00 H +ATOM 46 HB3 PRO A 4 12.456 -1.199 11.183 1.00 0.00 H +ATOM 47 HG2 PRO A 4 12.777 -3.013 8.846 1.00 0.00 H +ATOM 48 HG3 PRO A 4 12.537 -3.413 10.554 1.00 0.00 H +ATOM 49 HD2 PRO A 4 10.555 -3.487 8.537 1.00 0.00 H +ATOM 50 HD3 PRO A 4 10.274 -3.575 10.287 1.00 0.00 H +ATOM 51 N SER A 5 10.658 -0.266 7.218 1.00 0.00 N +ATOM 52 CA SER A 5 10.911 0.332 5.876 1.00 0.00 C +ATOM 53 C SER A 5 9.596 0.511 5.109 1.00 0.00 C +ATOM 54 O SER A 5 8.906 1.491 5.283 1.00 0.00 O +ATOM 55 CB SER A 5 11.849 -0.574 5.081 1.00 0.00 C +ATOM 56 OG SER A 5 13.186 -0.364 5.516 1.00 0.00 O +ATOM 57 H SER A 5 9.919 -0.896 7.348 1.00 0.00 H +ATOM 58 HA SER A 5 11.374 1.295 5.999 1.00 0.00 H +ATOM 59 HB2 SER A 5 11.581 -1.606 5.239 1.00 0.00 H +ATOM 60 HB3 SER A 5 11.761 -0.337 4.029 1.00 0.00 H +ATOM 61 HG SER A 5 13.405 -1.056 6.144 1.00 0.00 H +ATOM 62 N VAL A 6 9.265 -0.422 4.252 1.00 0.00 N +ATOM 63 CA VAL A 6 8.013 -0.326 3.440 1.00 0.00 C +ATOM 64 C VAL A 6 6.904 0.385 4.212 1.00 0.00 C +ATOM 65 O VAL A 6 6.352 1.340 3.744 1.00 0.00 O +ATOM 66 CB VAL A 6 7.587 -1.736 3.040 1.00 0.00 C +ATOM 67 CG1 VAL A 6 6.796 -2.405 4.165 1.00 0.00 C +ATOM 68 CG2 VAL A 6 6.727 -1.672 1.776 1.00 0.00 C +ATOM 69 H VAL A 6 9.854 -1.195 4.129 1.00 0.00 H +ATOM 70 HA VAL A 6 8.214 0.245 2.541 1.00 0.00 H +ATOM 71 HB VAL A 6 8.474 -2.313 2.846 1.00 0.00 H +ATOM 72 HG11 VAL A 6 7.401 -2.443 5.058 1.00 0.00 H +ATOM 73 HG12 VAL A 6 5.897 -1.840 4.360 1.00 0.00 H +ATOM 74 HG13 VAL A 6 6.531 -3.409 3.868 1.00 0.00 H +ATOM 75 HG21 VAL A 6 6.515 -0.640 1.537 1.00 0.00 H +ATOM 76 HG22 VAL A 6 7.259 -2.130 0.955 1.00 0.00 H +ATOM 77 HG23 VAL A 6 5.800 -2.200 1.943 1.00 0.00 H +ATOM 78 N THR A 7 6.567 -0.035 5.386 1.00 0.00 N +ATOM 79 CA THR A 7 5.503 0.690 6.110 1.00 0.00 C +ATOM 80 C THR A 7 5.858 2.181 6.090 1.00 0.00 C +ATOM 81 O THR A 7 5.105 3.003 5.614 1.00 0.00 O +ATOM 82 CB THR A 7 5.421 0.169 7.543 1.00 0.00 C +ATOM 83 OG1 THR A 7 6.654 0.413 8.206 1.00 0.00 O +ATOM 84 CG2 THR A 7 5.142 -1.337 7.509 1.00 0.00 C +ATOM 85 H THR A 7 7.005 -0.797 5.789 1.00 0.00 H +ATOM 86 HA THR A 7 4.560 0.534 5.609 1.00 0.00 H +ATOM 87 HB THR A 7 4.622 0.669 8.066 1.00 0.00 H +ATOM 88 HG1 THR A 7 6.469 0.547 9.138 1.00 0.00 H +ATOM 89 HG21 THR A 7 4.635 -1.589 6.590 1.00 0.00 H +ATOM 90 HG22 THR A 7 6.075 -1.878 7.566 1.00 0.00 H +ATOM 91 HG23 THR A 7 4.519 -1.606 8.349 1.00 0.00 H +ATOM 92 N GLU A 8 7.021 2.530 6.566 1.00 0.00 N +ATOM 93 CA GLU A 8 7.438 3.962 6.545 1.00 0.00 C +ATOM 94 C GLU A 8 7.248 4.530 5.132 1.00 0.00 C +ATOM 95 O GLU A 8 6.949 5.692 4.957 1.00 0.00 O +ATOM 96 CB GLU A 8 8.913 4.063 6.942 1.00 0.00 C +ATOM 97 CG GLU A 8 9.079 5.131 8.025 1.00 0.00 C +ATOM 98 CD GLU A 8 8.805 6.512 7.427 1.00 0.00 C +ATOM 99 OE1 GLU A 8 7.681 6.743 7.012 1.00 0.00 O +ATOM 100 OE2 GLU A 8 9.722 7.315 7.395 1.00 0.00 O +ATOM 101 H GLU A 8 7.631 1.848 6.918 1.00 0.00 H +ATOM 102 HA GLU A 8 6.837 4.524 7.244 1.00 0.00 H +ATOM 103 HB2 GLU A 8 9.246 3.110 7.322 1.00 0.00 H +ATOM 104 HB3 GLU A 8 9.504 4.332 6.080 1.00 0.00 H +ATOM 105 HG2 GLU A 8 8.382 4.940 8.828 1.00 0.00 H +ATOM 106 HG3 GLU A 8 10.088 5.101 8.409 1.00 0.00 H +ATOM 107 N LEU A 9 7.424 3.714 4.126 1.00 0.00 N +ATOM 108 CA LEU A 9 7.256 4.188 2.718 1.00 0.00 C +ATOM 109 C LEU A 9 5.775 4.119 2.330 1.00 0.00 C +ATOM 110 O LEU A 9 5.109 5.121 2.176 1.00 0.00 O +ATOM 111 CB LEU A 9 8.058 3.279 1.781 1.00 0.00 C +ATOM 112 CG LEU A 9 9.325 2.790 2.485 1.00 0.00 C +ATOM 113 CD1 LEU A 9 10.218 2.064 1.479 1.00 0.00 C +ATOM 114 CD2 LEU A 9 10.079 3.987 3.065 1.00 0.00 C +ATOM 115 H LEU A 9 7.667 2.787 4.298 1.00 0.00 H +ATOM 116 HA LEU A 9 7.610 5.204 2.630 1.00 0.00 H +ATOM 117 HB2 LEU A 9 7.454 2.429 1.506 1.00 0.00 H +ATOM 118 HB3 LEU A 9 8.331 3.826 0.892 1.00 0.00 H +ATOM 119 HG LEU A 9 9.056 2.111 3.281 1.00 0.00 H +ATOM 120 HD11 LEU A 9 10.052 2.470 0.492 1.00 0.00 H +ATOM 121 HD12 LEU A 9 11.254 2.199 1.754 1.00 0.00 H +ATOM 122 HD13 LEU A 9 9.979 1.011 1.480 1.00 0.00 H +ATOM 123 HD21 LEU A 9 9.395 4.609 3.623 1.00 0.00 H +ATOM 124 HD22 LEU A 9 10.862 3.635 3.721 1.00 0.00 H +ATOM 125 HD23 LEU A 9 10.514 4.562 2.261 1.00 0.00 H +ATOM 126 N ILE A 10 5.259 2.935 2.172 1.00 0.00 N +ATOM 127 CA ILE A 10 3.839 2.771 1.808 1.00 0.00 C +ATOM 128 C ILE A 10 2.999 3.503 2.847 1.00 0.00 C +ATOM 129 O ILE A 10 2.310 4.460 2.558 1.00 0.00 O +ATOM 130 CB ILE A 10 3.503 1.266 1.808 1.00 0.00 C +ATOM 131 CG1 ILE A 10 3.490 0.760 0.373 1.00 0.00 C +ATOM 132 CG2 ILE A 10 2.132 0.989 2.451 1.00 0.00 C +ATOM 133 CD1 ILE A 10 3.156 -0.726 0.366 1.00 0.00 C +ATOM 134 H ILE A 10 5.804 2.155 2.299 1.00 0.00 H +ATOM 135 HA ILE A 10 3.675 3.182 0.827 1.00 0.00 H +ATOM 136 HB ILE A 10 4.264 0.736 2.362 1.00 0.00 H +ATOM 137 HG12 ILE A 10 2.749 1.300 -0.194 1.00 0.00 H +ATOM 138 HG13 ILE A 10 4.457 0.909 -0.068 1.00 0.00 H +ATOM 139 HG21 ILE A 10 1.481 1.835 2.303 1.00 0.00 H +ATOM 140 HG22 ILE A 10 1.692 0.114 1.995 1.00 0.00 H +ATOM 141 HG23 ILE A 10 2.262 0.815 3.508 1.00 0.00 H +ATOM 142 HD11 ILE A 10 2.423 -0.935 1.130 1.00 0.00 H +ATOM 143 HD12 ILE A 10 2.760 -0.995 -0.596 1.00 0.00 H +ATOM 144 HD13 ILE A 10 4.052 -1.297 0.559 1.00 0.00 H +ATOM 145 N THR A 11 3.059 3.037 4.060 1.00 0.00 N +ATOM 146 CA THR A 11 2.277 3.671 5.144 1.00 0.00 C +ATOM 147 C THR A 11 2.500 5.186 5.115 1.00 0.00 C +ATOM 148 O THR A 11 1.685 5.947 5.592 1.00 0.00 O +ATOM 149 CB THR A 11 2.714 3.076 6.483 1.00 0.00 C +ATOM 150 OG1 THR A 11 3.009 1.699 6.306 1.00 0.00 O +ATOM 151 CG2 THR A 11 1.584 3.219 7.488 1.00 0.00 C +ATOM 152 H THR A 11 3.623 2.260 4.256 1.00 0.00 H +ATOM 153 HA THR A 11 1.228 3.465 4.989 1.00 0.00 H +ATOM 154 HB THR A 11 3.590 3.587 6.849 1.00 0.00 H +ATOM 155 HG1 THR A 11 3.001 1.280 7.170 1.00 0.00 H +ATOM 156 HG21 THR A 11 0.694 3.564 6.983 1.00 0.00 H +ATOM 157 HG22 THR A 11 1.388 2.262 7.948 1.00 0.00 H +ATOM 158 HG23 THR A 11 1.867 3.932 8.248 1.00 0.00 H +ATOM 159 N LYS A 12 3.579 5.639 4.530 1.00 0.00 N +ATOM 160 CA LYS A 12 3.807 7.110 4.447 1.00 0.00 C +ATOM 161 C LYS A 12 2.839 7.664 3.395 1.00 0.00 C +ATOM 162 O LYS A 12 2.131 8.623 3.629 1.00 0.00 O +ATOM 163 CB LYS A 12 5.272 7.390 4.055 1.00 0.00 C +ATOM 164 CG LYS A 12 5.373 8.629 3.158 1.00 0.00 C +ATOM 165 CD LYS A 12 6.844 9.013 2.981 1.00 0.00 C +ATOM 166 CE LYS A 12 7.561 7.933 2.169 1.00 0.00 C +ATOM 167 NZ LYS A 12 8.722 8.537 1.456 1.00 0.00 N +ATOM 168 H LYS A 12 4.220 5.018 4.126 1.00 0.00 H +ATOM 169 HA LYS A 12 3.594 7.562 5.405 1.00 0.00 H +ATOM 170 HB2 LYS A 12 5.853 7.554 4.950 1.00 0.00 H +ATOM 171 HB3 LYS A 12 5.670 6.539 3.529 1.00 0.00 H +ATOM 172 HG2 LYS A 12 4.938 8.412 2.193 1.00 0.00 H +ATOM 173 HG3 LYS A 12 4.842 9.450 3.617 1.00 0.00 H +ATOM 174 HD2 LYS A 12 6.908 9.958 2.460 1.00 0.00 H +ATOM 175 HD3 LYS A 12 7.312 9.103 3.949 1.00 0.00 H +ATOM 176 HE2 LYS A 12 7.911 7.157 2.833 1.00 0.00 H +ATOM 177 HE3 LYS A 12 6.877 7.509 1.449 1.00 0.00 H +ATOM 178 HZ1 LYS A 12 8.404 9.373 0.924 1.00 0.00 H +ATOM 179 HZ2 LYS A 12 9.445 8.820 2.148 1.00 0.00 H +ATOM 180 HZ3 LYS A 12 9.128 7.841 0.799 1.00 0.00 H +ATOM 181 N ALA A 13 2.787 7.041 2.247 1.00 0.00 N +ATOM 182 CA ALA A 13 1.845 7.499 1.188 1.00 0.00 C +ATOM 183 C ALA A 13 0.417 7.207 1.655 1.00 0.00 C +ATOM 184 O ALA A 13 -0.547 7.682 1.087 1.00 0.00 O +ATOM 185 CB ALA A 13 2.124 6.734 -0.109 1.00 0.00 C +ATOM 186 H ALA A 13 3.352 6.256 2.091 1.00 0.00 H +ATOM 187 HA ALA A 13 1.967 8.559 1.023 1.00 0.00 H +ATOM 188 HB1 ALA A 13 2.438 5.727 0.127 1.00 0.00 H +ATOM 189 HB2 ALA A 13 1.226 6.700 -0.707 1.00 0.00 H +ATOM 190 HB3 ALA A 13 2.906 7.235 -0.661 1.00 0.00 H +ATOM 191 N VAL A 14 0.289 6.425 2.695 1.00 0.00 N +ATOM 192 CA VAL A 14 -1.053 6.076 3.237 1.00 0.00 C +ATOM 193 C VAL A 14 -1.973 7.300 3.171 1.00 0.00 C +ATOM 194 O VAL A 14 -3.153 7.190 2.903 1.00 0.00 O +ATOM 195 CB VAL A 14 -0.875 5.622 4.690 1.00 0.00 C +ATOM 196 CG1 VAL A 14 -0.705 6.843 5.599 1.00 0.00 C +ATOM 197 CG2 VAL A 14 -2.097 4.824 5.140 1.00 0.00 C +ATOM 198 H VAL A 14 1.087 6.062 3.128 1.00 0.00 H +ATOM 199 HA VAL A 14 -1.479 5.271 2.657 1.00 0.00 H +ATOM 200 HB VAL A 14 0.006 4.997 4.758 1.00 0.00 H +ATOM 201 HG11 VAL A 14 0.156 7.411 5.280 1.00 0.00 H +ATOM 202 HG12 VAL A 14 -1.588 7.463 5.538 1.00 0.00 H +ATOM 203 HG13 VAL A 14 -0.564 6.516 6.618 1.00 0.00 H +ATOM 204 HG21 VAL A 14 -2.937 5.064 4.508 1.00 0.00 H +ATOM 205 HG22 VAL A 14 -1.881 3.769 5.071 1.00 0.00 H +ATOM 206 HG23 VAL A 14 -2.332 5.075 6.163 1.00 0.00 H +ATOM 207 N SER A 15 -1.438 8.465 3.413 1.00 0.00 N +ATOM 208 CA SER A 15 -2.276 9.697 3.365 1.00 0.00 C +ATOM 209 C SER A 15 -1.836 10.570 2.186 1.00 0.00 C +ATOM 210 O SER A 15 -2.531 11.483 1.786 1.00 0.00 O +ATOM 211 CB SER A 15 -2.107 10.478 4.668 1.00 0.00 C +ATOM 212 OG SER A 15 -2.717 11.754 4.532 1.00 0.00 O +ATOM 213 H SER A 15 -0.483 8.529 3.627 1.00 0.00 H +ATOM 214 HA SER A 15 -3.313 9.422 3.242 1.00 0.00 H +ATOM 215 HB2 SER A 15 -2.578 9.943 5.475 1.00 0.00 H +ATOM 216 HB3 SER A 15 -1.052 10.593 4.882 1.00 0.00 H +ATOM 217 HG SER A 15 -2.021 12.406 4.420 1.00 0.00 H +ATOM 218 N ALA A 16 -0.688 10.298 1.627 1.00 0.00 N +ATOM 219 CA ALA A 16 -0.207 11.115 0.477 1.00 0.00 C +ATOM 220 C ALA A 16 -0.611 10.439 -0.835 1.00 0.00 C +ATOM 221 O ALA A 16 -0.036 10.689 -1.875 1.00 0.00 O +ATOM 222 CB ALA A 16 1.317 11.237 0.539 1.00 0.00 C +ATOM 223 H ALA A 16 -0.142 9.558 1.963 1.00 0.00 H +ATOM 224 HA ALA A 16 -0.649 12.099 0.525 1.00 0.00 H +ATOM 225 HB1 ALA A 16 1.654 11.026 1.543 1.00 0.00 H +ATOM 226 HB2 ALA A 16 1.762 10.531 -0.146 1.00 0.00 H +ATOM 227 HB3 ALA A 16 1.609 12.239 0.263 1.00 0.00 H +ATOM 228 N SER A 17 -1.596 9.584 -0.794 1.00 0.00 N +ATOM 229 CA SER A 17 -2.034 8.893 -2.040 1.00 0.00 C +ATOM 230 C SER A 17 -2.105 9.905 -3.187 1.00 0.00 C +ATOM 231 O SER A 17 -2.053 11.100 -2.976 1.00 0.00 O +ATOM 232 CB SER A 17 -3.414 8.273 -1.819 1.00 0.00 C +ATOM 233 OG SER A 17 -4.065 8.116 -3.073 1.00 0.00 O +ATOM 234 H SER A 17 -2.046 9.395 0.056 1.00 0.00 H +ATOM 235 HA SER A 17 -1.326 8.117 -2.289 1.00 0.00 H +ATOM 236 HB2 SER A 17 -3.307 7.308 -1.353 1.00 0.00 H +ATOM 237 HB3 SER A 17 -3.999 8.918 -1.176 1.00 0.00 H +ATOM 238 HG SER A 17 -4.686 7.388 -2.996 1.00 0.00 H +ATOM 239 N LYS A 18 -2.221 9.436 -4.399 1.00 0.00 N +ATOM 240 CA LYS A 18 -2.293 10.372 -5.557 1.00 0.00 C +ATOM 241 C LYS A 18 -3.591 10.133 -6.331 1.00 0.00 C +ATOM 242 O LYS A 18 -3.675 10.393 -7.515 1.00 0.00 O +ATOM 243 CB LYS A 18 -1.098 10.130 -6.482 1.00 0.00 C +ATOM 244 CG LYS A 18 -0.527 11.473 -6.940 1.00 0.00 C +ATOM 245 CD LYS A 18 0.843 11.252 -7.585 1.00 0.00 C +ATOM 246 CE LYS A 18 0.744 10.138 -8.628 1.00 0.00 C +ATOM 247 NZ LYS A 18 1.760 10.364 -9.695 1.00 0.00 N +ATOM 248 H LYS A 18 -2.260 8.468 -4.549 1.00 0.00 H +ATOM 249 HA LYS A 18 -2.269 11.390 -5.199 1.00 0.00 H +ATOM 250 HB2 LYS A 18 -0.338 9.576 -5.949 1.00 0.00 H +ATOM 251 HB3 LYS A 18 -1.419 9.564 -7.344 1.00 0.00 H +ATOM 252 HG2 LYS A 18 -1.196 11.922 -7.660 1.00 0.00 H +ATOM 253 HG3 LYS A 18 -0.420 12.128 -6.089 1.00 0.00 H +ATOM 254 HD2 LYS A 18 1.167 12.166 -8.062 1.00 0.00 H +ATOM 255 HD3 LYS A 18 1.557 10.969 -6.826 1.00 0.00 H +ATOM 256 HE2 LYS A 18 0.925 9.184 -8.155 1.00 0.00 H +ATOM 257 HE3 LYS A 18 -0.244 10.141 -9.066 1.00 0.00 H +ATOM 258 HZ1 LYS A 18 2.623 10.761 -9.274 1.00 0.00 H +ATOM 259 HZ2 LYS A 18 1.984 9.459 -10.158 1.00 0.00 H +ATOM 260 HZ3 LYS A 18 1.382 11.029 -10.399 1.00 0.00 H +ATOM 261 N GLU A 19 -4.605 9.640 -5.673 1.00 0.00 N +ATOM 262 CA GLU A 19 -5.894 9.387 -6.376 1.00 0.00 C +ATOM 263 C GLU A 19 -7.051 9.502 -5.382 1.00 0.00 C +ATOM 264 O GLU A 19 -6.933 10.124 -4.345 1.00 0.00 O +ATOM 265 CB GLU A 19 -5.878 7.980 -6.977 1.00 0.00 C +ATOM 266 CG GLU A 19 -6.538 8.006 -8.357 1.00 0.00 C +ATOM 267 CD GLU A 19 -7.515 6.835 -8.478 1.00 0.00 C +ATOM 268 OE1 GLU A 19 -7.054 5.707 -8.530 1.00 0.00 O +ATOM 269 OE2 GLU A 19 -8.708 7.087 -8.517 1.00 0.00 O +ATOM 270 H GLU A 19 -4.518 9.437 -4.718 1.00 0.00 H +ATOM 271 HA GLU A 19 -6.023 10.113 -7.164 1.00 0.00 H +ATOM 272 HB2 GLU A 19 -4.857 7.640 -7.071 1.00 0.00 H +ATOM 273 HB3 GLU A 19 -6.424 7.307 -6.333 1.00 0.00 H +ATOM 274 HG2 GLU A 19 -7.071 8.937 -8.483 1.00 0.00 H +ATOM 275 HG3 GLU A 19 -5.779 7.919 -9.120 1.00 0.00 H +ATOM 276 N ARG A 20 -8.170 8.905 -5.690 1.00 0.00 N +ATOM 277 CA ARG A 20 -9.335 8.976 -4.765 1.00 0.00 C +ATOM 278 C ARG A 20 -9.694 7.566 -4.296 1.00 0.00 C +ATOM 279 O ARG A 20 -10.269 6.792 -5.035 1.00 0.00 O +ATOM 280 CB ARG A 20 -10.530 9.593 -5.493 1.00 0.00 C +ATOM 281 CG ARG A 20 -11.455 10.265 -4.476 1.00 0.00 C +ATOM 282 CD ARG A 20 -11.483 11.773 -4.729 1.00 0.00 C +ATOM 283 NE ARG A 20 -11.831 12.483 -3.467 1.00 0.00 N +ATOM 284 CZ ARG A 20 -11.884 13.787 -3.445 1.00 0.00 C +ATOM 285 NH1 ARG A 20 -10.805 14.487 -3.667 1.00 0.00 N +ATOM 286 NH2 ARG A 20 -13.014 14.391 -3.201 1.00 0.00 N +ATOM 287 H ARG A 20 -8.243 8.407 -6.531 1.00 0.00 H +ATOM 288 HA ARG A 20 -9.079 9.585 -3.910 1.00 0.00 H +ATOM 289 HB2 ARG A 20 -10.179 10.329 -6.202 1.00 0.00 H +ATOM 290 HB3 ARG A 20 -11.073 8.819 -6.014 1.00 0.00 H +ATOM 291 HG2 ARG A 20 -12.453 9.863 -4.577 1.00 0.00 H +ATOM 292 HG3 ARG A 20 -11.090 10.077 -3.477 1.00 0.00 H +ATOM 293 HD2 ARG A 20 -10.512 12.099 -5.070 1.00 0.00 H +ATOM 294 HD3 ARG A 20 -12.223 11.998 -5.484 1.00 0.00 H +ATOM 295 HE ARG A 20 -12.021 11.972 -2.652 1.00 0.00 H +ATOM 296 HH11 ARG A 20 -9.938 14.024 -3.855 1.00 0.00 H +ATOM 297 HH12 ARG A 20 -10.844 15.486 -3.651 1.00 0.00 H +ATOM 298 HH21 ARG A 20 -13.841 13.855 -3.032 1.00 0.00 H +ATOM 299 HH22 ARG A 20 -13.054 15.390 -3.184 1.00 0.00 H +ATOM 300 N LYS A 21 -9.350 7.240 -3.072 1.00 0.00 N +ATOM 301 CA LYS A 21 -9.647 5.885 -2.505 1.00 0.00 C +ATOM 302 C LYS A 21 -9.710 4.829 -3.614 1.00 0.00 C +ATOM 303 O LYS A 21 -10.741 4.239 -3.866 1.00 0.00 O +ATOM 304 CB LYS A 21 -10.977 5.922 -1.743 1.00 0.00 C +ATOM 305 CG LYS A 21 -12.144 6.068 -2.722 1.00 0.00 C +ATOM 306 CD LYS A 21 -13.108 7.141 -2.210 1.00 0.00 C +ATOM 307 CE LYS A 21 -14.138 6.501 -1.278 1.00 0.00 C +ATOM 308 NZ LYS A 21 -15.511 6.790 -1.781 1.00 0.00 N +ATOM 309 H LYS A 21 -8.885 7.899 -2.516 1.00 0.00 H +ATOM 310 HA LYS A 21 -8.859 5.618 -1.817 1.00 0.00 H +ATOM 311 HB2 LYS A 21 -11.093 5.006 -1.182 1.00 0.00 H +ATOM 312 HB3 LYS A 21 -10.976 6.761 -1.062 1.00 0.00 H +ATOM 313 HG2 LYS A 21 -11.769 6.353 -3.691 1.00 0.00 H +ATOM 314 HG3 LYS A 21 -12.667 5.127 -2.801 1.00 0.00 H +ATOM 315 HD2 LYS A 21 -12.553 7.895 -1.671 1.00 0.00 H +ATOM 316 HD3 LYS A 21 -13.616 7.597 -3.046 1.00 0.00 H +ATOM 317 HE2 LYS A 21 -13.983 5.433 -1.249 1.00 0.00 H +ATOM 318 HE3 LYS A 21 -14.026 6.909 -0.284 1.00 0.00 H +ATOM 319 HZ1 LYS A 21 -15.494 6.854 -2.818 1.00 0.00 H +ATOM 320 HZ2 LYS A 21 -16.154 6.026 -1.494 1.00 0.00 H +ATOM 321 HZ3 LYS A 21 -15.843 7.692 -1.383 1.00 0.00 H +ATOM 322 N GLY A 22 -8.610 4.586 -4.276 1.00 0.00 N +ATOM 323 CA GLY A 22 -8.599 3.566 -5.365 1.00 0.00 C +ATOM 324 C GLY A 22 -7.159 3.329 -5.826 1.00 0.00 C +ATOM 325 O GLY A 22 -6.794 3.634 -6.944 1.00 0.00 O +ATOM 326 H GLY A 22 -7.791 5.074 -4.055 1.00 0.00 H +ATOM 327 HA2 GLY A 22 -9.015 2.639 -4.994 1.00 0.00 H +ATOM 328 HA3 GLY A 22 -9.187 3.919 -6.198 1.00 0.00 H +ATOM 329 N LEU A 23 -6.336 2.792 -4.967 1.00 0.00 N +ATOM 330 CA LEU A 23 -4.915 2.539 -5.344 1.00 0.00 C +ATOM 331 C LEU A 23 -4.820 1.324 -6.272 1.00 0.00 C +ATOM 332 O LEU A 23 -4.196 1.375 -7.314 1.00 0.00 O +ATOM 333 CB LEU A 23 -4.098 2.264 -4.080 1.00 0.00 C +ATOM 334 CG LEU A 23 -4.359 3.362 -3.048 1.00 0.00 C +ATOM 335 CD1 LEU A 23 -4.404 2.749 -1.647 1.00 0.00 C +ATOM 336 CD2 LEU A 23 -3.244 4.410 -3.108 1.00 0.00 C +ATOM 337 H LEU A 23 -6.651 2.561 -4.070 1.00 0.00 H +ATOM 338 HA LEU A 23 -4.517 3.408 -5.846 1.00 0.00 H +ATOM 339 HB2 LEU A 23 -4.386 1.308 -3.668 1.00 0.00 H +ATOM 340 HB3 LEU A 23 -3.051 2.245 -4.328 1.00 0.00 H +ATOM 341 HG LEU A 23 -5.303 3.832 -3.263 1.00 0.00 H +ATOM 342 HD11 LEU A 23 -4.536 1.680 -1.726 1.00 0.00 H +ATOM 343 HD12 LEU A 23 -3.479 2.961 -1.132 1.00 0.00 H +ATOM 344 HD13 LEU A 23 -5.229 3.175 -1.095 1.00 0.00 H +ATOM 345 HD21 LEU A 23 -3.169 4.799 -4.111 1.00 0.00 H +ATOM 346 HD22 LEU A 23 -3.474 5.217 -2.427 1.00 0.00 H +ATOM 347 HD23 LEU A 23 -2.307 3.957 -2.824 1.00 0.00 H +ATOM 348 N SER A 24 -5.416 0.225 -5.894 1.00 0.00 N +ATOM 349 CA SER A 24 -5.341 -0.995 -6.739 1.00 0.00 C +ATOM 350 C SER A 24 -3.936 -1.581 -6.619 1.00 0.00 C +ATOM 351 O SER A 24 -3.441 -2.224 -7.523 1.00 0.00 O +ATOM 352 CB SER A 24 -5.626 -0.630 -8.196 1.00 0.00 C +ATOM 353 OG SER A 24 -6.355 -1.686 -8.810 1.00 0.00 O +ATOM 354 H SER A 24 -5.898 0.198 -5.051 1.00 0.00 H +ATOM 355 HA SER A 24 -6.067 -1.718 -6.395 1.00 0.00 H +ATOM 356 HB2 SER A 24 -6.210 0.274 -8.236 1.00 0.00 H +ATOM 357 HB3 SER A 24 -4.690 -0.475 -8.717 1.00 0.00 H +ATOM 358 HG SER A 24 -7.282 -1.437 -8.823 1.00 0.00 H +ATOM 359 N LEU A 25 -3.282 -1.352 -5.507 1.00 0.00 N +ATOM 360 CA LEU A 25 -1.900 -1.886 -5.338 1.00 0.00 C +ATOM 361 C LEU A 25 -1.026 -1.331 -6.468 1.00 0.00 C +ATOM 362 O LEU A 25 0.057 -1.816 -6.730 1.00 0.00 O +ATOM 363 CB LEU A 25 -1.938 -3.417 -5.416 1.00 0.00 C +ATOM 364 CG LEU A 25 -3.273 -3.930 -4.870 1.00 0.00 C +ATOM 365 CD1 LEU A 25 -3.229 -5.455 -4.764 1.00 0.00 C +ATOM 366 CD2 LEU A 25 -3.519 -3.330 -3.484 1.00 0.00 C +ATOM 367 H LEU A 25 -3.696 -0.824 -4.793 1.00 0.00 H +ATOM 368 HA LEU A 25 -1.493 -1.574 -4.375 1.00 0.00 H +ATOM 369 HB2 LEU A 25 -1.826 -3.728 -6.444 1.00 0.00 H +ATOM 370 HB3 LEU A 25 -1.134 -3.826 -4.827 1.00 0.00 H +ATOM 371 HG LEU A 25 -4.071 -3.640 -5.537 1.00 0.00 H +ATOM 372 HD11 LEU A 25 -2.227 -5.801 -4.973 1.00 0.00 H +ATOM 373 HD12 LEU A 25 -3.512 -5.755 -3.766 1.00 0.00 H +ATOM 374 HD13 LEU A 25 -3.915 -5.885 -5.478 1.00 0.00 H +ATOM 375 HD21 LEU A 25 -2.766 -2.584 -3.276 1.00 0.00 H +ATOM 376 HD22 LEU A 25 -4.496 -2.872 -3.458 1.00 0.00 H +ATOM 377 HD23 LEU A 25 -3.466 -4.111 -2.739 1.00 0.00 H +ATOM 378 N ALA A 26 -1.493 -0.305 -7.131 1.00 0.00 N +ATOM 379 CA ALA A 26 -0.706 0.307 -8.237 1.00 0.00 C +ATOM 380 C ALA A 26 -0.474 1.785 -7.915 1.00 0.00 C +ATOM 381 O ALA A 26 0.132 2.512 -8.675 1.00 0.00 O +ATOM 382 CB ALA A 26 -1.481 0.183 -9.551 1.00 0.00 C +ATOM 383 H ALA A 26 -2.364 0.074 -6.893 1.00 0.00 H +ATOM 384 HA ALA A 26 0.245 -0.198 -8.326 1.00 0.00 H +ATOM 385 HB1 ALA A 26 -2.392 -0.371 -9.381 1.00 0.00 H +ATOM 386 HB2 ALA A 26 -1.722 1.169 -9.920 1.00 0.00 H +ATOM 387 HB3 ALA A 26 -0.874 -0.335 -10.279 1.00 0.00 H +ATOM 388 N ALA A 27 -0.948 2.228 -6.781 1.00 0.00 N +ATOM 389 CA ALA A 27 -0.750 3.647 -6.386 1.00 0.00 C +ATOM 390 C ALA A 27 0.083 3.668 -5.106 1.00 0.00 C +ATOM 391 O ALA A 27 1.232 4.063 -5.110 1.00 0.00 O +ATOM 392 CB ALA A 27 -2.107 4.305 -6.132 1.00 0.00 C +ATOM 393 H ALA A 27 -1.427 1.622 -6.180 1.00 0.00 H +ATOM 394 HA ALA A 27 -0.227 4.175 -7.171 1.00 0.00 H +ATOM 395 HB1 ALA A 27 -2.703 3.664 -5.501 1.00 0.00 H +ATOM 396 HB2 ALA A 27 -1.960 5.257 -5.644 1.00 0.00 H +ATOM 397 HB3 ALA A 27 -2.615 4.457 -7.073 1.00 0.00 H +ATOM 398 N LEU A 28 -0.476 3.219 -4.013 1.00 0.00 N +ATOM 399 CA LEU A 28 0.304 3.190 -2.747 1.00 0.00 C +ATOM 400 C LEU A 28 1.553 2.352 -2.971 1.00 0.00 C +ATOM 401 O LEU A 28 2.653 2.817 -2.808 1.00 0.00 O +ATOM 402 CB LEU A 28 -0.515 2.542 -1.616 1.00 0.00 C +ATOM 403 CG LEU A 28 0.454 2.009 -0.549 1.00 0.00 C +ATOM 404 CD1 LEU A 28 1.288 3.174 -0.018 1.00 0.00 C +ATOM 405 CD2 LEU A 28 -0.306 1.362 0.600 1.00 0.00 C +ATOM 406 H LEU A 28 -1.397 2.889 -4.030 1.00 0.00 H +ATOM 407 HA LEU A 28 0.589 4.196 -2.468 1.00 0.00 H +ATOM 408 HB2 LEU A 28 -1.172 3.279 -1.176 1.00 0.00 H +ATOM 409 HB3 LEU A 28 -1.099 1.725 -2.012 1.00 0.00 H +ATOM 410 HG LEU A 28 1.109 1.277 -0.999 1.00 0.00 H +ATOM 411 HD11 LEU A 28 0.859 4.105 -0.358 1.00 0.00 H +ATOM 412 HD12 LEU A 28 1.294 3.155 1.060 1.00 0.00 H +ATOM 413 HD13 LEU A 28 2.298 3.091 -0.387 1.00 0.00 H +ATOM 414 HD21 LEU A 28 -1.317 1.147 0.287 1.00 0.00 H +ATOM 415 HD22 LEU A 28 0.186 0.444 0.885 1.00 0.00 H +ATOM 416 HD23 LEU A 28 -0.327 2.036 1.444 1.00 0.00 H +ATOM 417 N LYS A 29 1.373 1.103 -3.309 1.00 0.00 N +ATOM 418 CA LYS A 29 2.538 0.201 -3.518 1.00 0.00 C +ATOM 419 C LYS A 29 3.359 0.675 -4.728 1.00 0.00 C +ATOM 420 O LYS A 29 4.402 0.131 -5.020 1.00 0.00 O +ATOM 421 CB LYS A 29 2.034 -1.228 -3.766 1.00 0.00 C +ATOM 422 CG LYS A 29 1.793 -1.976 -2.433 1.00 0.00 C +ATOM 423 CD LYS A 29 1.011 -3.283 -2.711 1.00 0.00 C +ATOM 424 CE LYS A 29 1.104 -3.688 -4.192 1.00 0.00 C +ATOM 425 NZ LYS A 29 0.599 -5.080 -4.362 1.00 0.00 N +ATOM 426 H LYS A 29 0.463 0.752 -3.407 1.00 0.00 H +ATOM 427 HA LYS A 29 3.160 0.210 -2.637 1.00 0.00 H +ATOM 428 HB2 LYS A 29 1.107 -1.187 -4.319 1.00 0.00 H +ATOM 429 HB3 LYS A 29 2.768 -1.769 -4.345 1.00 0.00 H +ATOM 430 HG2 LYS A 29 2.746 -2.213 -1.983 1.00 0.00 H +ATOM 431 HG3 LYS A 29 1.241 -1.350 -1.771 1.00 0.00 H +ATOM 432 HD2 LYS A 29 1.414 -4.078 -2.104 1.00 0.00 H +ATOM 433 HD3 LYS A 29 -0.016 -3.136 -2.463 1.00 0.00 H +ATOM 434 HE2 LYS A 29 0.505 -3.014 -4.785 1.00 0.00 H +ATOM 435 HE3 LYS A 29 2.126 -3.634 -4.523 1.00 0.00 H +ATOM 436 HZ1 LYS A 29 -0.289 -5.195 -3.834 1.00 0.00 H +ATOM 437 HZ2 LYS A 29 0.425 -5.265 -5.370 1.00 0.00 H +ATOM 438 HZ3 LYS A 29 1.307 -5.752 -4.002 1.00 0.00 H +ATOM 439 N LYS A 30 2.910 1.684 -5.435 1.00 0.00 N +ATOM 440 CA LYS A 30 3.691 2.167 -6.611 1.00 0.00 C +ATOM 441 C LYS A 30 4.460 3.436 -6.225 1.00 0.00 C +ATOM 442 O LYS A 30 5.158 4.023 -7.028 1.00 0.00 O +ATOM 443 CB LYS A 30 2.739 2.466 -7.768 1.00 0.00 C +ATOM 444 CG LYS A 30 2.659 1.242 -8.684 1.00 0.00 C +ATOM 445 CD LYS A 30 3.706 1.364 -9.793 1.00 0.00 C +ATOM 446 CE LYS A 30 3.072 2.013 -11.025 1.00 0.00 C +ATOM 447 NZ LYS A 30 2.274 0.995 -11.765 1.00 0.00 N +ATOM 448 H LYS A 30 2.069 2.127 -5.196 1.00 0.00 H +ATOM 449 HA LYS A 30 4.393 1.402 -6.912 1.00 0.00 H +ATOM 450 HB2 LYS A 30 1.758 2.691 -7.376 1.00 0.00 H +ATOM 451 HB3 LYS A 30 3.107 3.311 -8.330 1.00 0.00 H +ATOM 452 HG2 LYS A 30 2.848 0.348 -8.107 1.00 0.00 H +ATOM 453 HG3 LYS A 30 1.676 1.183 -9.125 1.00 0.00 H +ATOM 454 HD2 LYS A 30 4.527 1.974 -9.446 1.00 0.00 H +ATOM 455 HD3 LYS A 30 4.071 0.382 -10.053 1.00 0.00 H +ATOM 456 HE2 LYS A 30 2.427 2.821 -10.715 1.00 0.00 H +ATOM 457 HE3 LYS A 30 3.849 2.398 -11.668 1.00 0.00 H +ATOM 458 HZ1 LYS A 30 2.487 0.048 -11.393 1.00 0.00 H +ATOM 459 HZ2 LYS A 30 1.260 1.196 -11.645 1.00 0.00 H +ATOM 460 HZ3 LYS A 30 2.517 1.031 -12.775 1.00 0.00 H +ATOM 461 N ALA A 31 4.350 3.844 -4.991 1.00 0.00 N +ATOM 462 CA ALA A 31 5.081 5.051 -4.519 1.00 0.00 C +ATOM 463 C ALA A 31 6.375 4.593 -3.842 1.00 0.00 C +ATOM 464 O ALA A 31 7.151 5.384 -3.345 1.00 0.00 O +ATOM 465 CB ALA A 31 4.210 5.803 -3.507 1.00 0.00 C +ATOM 466 H ALA A 31 3.801 3.341 -4.366 1.00 0.00 H +ATOM 467 HA ALA A 31 5.311 5.693 -5.356 1.00 0.00 H +ATOM 468 HB1 ALA A 31 3.621 5.094 -2.943 1.00 0.00 H +ATOM 469 HB2 ALA A 31 4.843 6.362 -2.833 1.00 0.00 H +ATOM 470 HB3 ALA A 31 3.553 6.481 -4.031 1.00 0.00 H +ATOM 471 N LEU A 32 6.601 3.308 -3.825 1.00 0.00 N +ATOM 472 CA LEU A 32 7.822 2.749 -3.194 1.00 0.00 C +ATOM 473 C LEU A 32 8.781 2.314 -4.294 1.00 0.00 C +ATOM 474 O LEU A 32 9.965 2.140 -4.083 1.00 0.00 O +ATOM 475 CB LEU A 32 7.410 1.543 -2.343 1.00 0.00 C +ATOM 476 CG LEU A 32 6.167 1.901 -1.522 1.00 0.00 C +ATOM 477 CD1 LEU A 32 6.320 3.322 -0.992 1.00 0.00 C +ATOM 478 CD2 LEU A 32 4.912 1.811 -2.389 1.00 0.00 C +ATOM 479 H LEU A 32 5.955 2.698 -4.233 1.00 0.00 H +ATOM 480 HA LEU A 32 8.290 3.496 -2.570 1.00 0.00 H +ATOM 481 HB2 LEU A 32 7.193 0.703 -2.987 1.00 0.00 H +ATOM 482 HB3 LEU A 32 8.210 1.286 -1.674 1.00 0.00 H +ATOM 483 HG LEU A 32 6.069 1.221 -0.695 1.00 0.00 H +ATOM 484 HD11 LEU A 32 7.368 3.580 -0.948 1.00 0.00 H +ATOM 485 HD12 LEU A 32 5.808 4.009 -1.649 1.00 0.00 H +ATOM 486 HD13 LEU A 32 5.893 3.385 -0.003 1.00 0.00 H +ATOM 487 HD21 LEU A 32 5.053 1.060 -3.153 1.00 0.00 H +ATOM 488 HD22 LEU A 32 4.069 1.545 -1.772 1.00 0.00 H +ATOM 489 HD23 LEU A 32 4.728 2.768 -2.852 1.00 0.00 H +ATOM 490 N ALA A 33 8.262 2.144 -5.471 1.00 0.00 N +ATOM 491 CA ALA A 33 9.103 1.725 -6.617 1.00 0.00 C +ATOM 492 C ALA A 33 9.566 2.967 -7.382 1.00 0.00 C +ATOM 493 O ALA A 33 9.608 2.981 -8.596 1.00 0.00 O +ATOM 494 CB ALA A 33 8.272 0.840 -7.546 1.00 0.00 C +ATOM 495 H ALA A 33 7.307 2.296 -5.599 1.00 0.00 H +ATOM 496 HA ALA A 33 9.957 1.177 -6.256 1.00 0.00 H +ATOM 497 HB1 ALA A 33 7.237 1.146 -7.505 1.00 0.00 H +ATOM 498 HB2 ALA A 33 8.636 0.937 -8.558 1.00 0.00 H +ATOM 499 HB3 ALA A 33 8.356 -0.190 -7.231 1.00 0.00 H +ATOM 500 N ALA A 34 9.894 4.019 -6.682 1.00 0.00 N +ATOM 501 CA ALA A 34 10.328 5.266 -7.376 1.00 0.00 C +ATOM 502 C ALA A 34 11.855 5.346 -7.464 1.00 0.00 C +ATOM 503 O ALA A 34 12.409 5.528 -8.531 1.00 0.00 O +ATOM 504 CB ALA A 34 9.806 6.481 -6.607 1.00 0.00 C +ATOM 505 H ALA A 34 9.836 3.994 -5.704 1.00 0.00 H +ATOM 506 HA ALA A 34 9.917 5.276 -8.373 1.00 0.00 H +ATOM 507 HB1 ALA A 34 9.893 6.301 -5.546 1.00 0.00 H +ATOM 508 HB2 ALA A 34 10.388 7.351 -6.874 1.00 0.00 H +ATOM 509 HB3 ALA A 34 8.771 6.649 -6.861 1.00 0.00 H +ATOM 510 N GLY A 35 12.547 5.239 -6.362 1.00 0.00 N +ATOM 511 CA GLY A 35 14.035 5.344 -6.425 1.00 0.00 C +ATOM 512 C GLY A 35 14.698 4.273 -5.557 1.00 0.00 C +ATOM 513 O GLY A 35 14.939 4.472 -4.383 1.00 0.00 O +ATOM 514 H GLY A 35 12.092 5.109 -5.503 1.00 0.00 H +ATOM 515 HA2 GLY A 35 14.356 5.220 -7.449 1.00 0.00 H +ATOM 516 HA3 GLY A 35 14.337 6.320 -6.074 1.00 0.00 H +ATOM 517 N GLY A 36 15.001 3.140 -6.129 1.00 0.00 N +ATOM 518 CA GLY A 36 15.657 2.057 -5.342 1.00 0.00 C +ATOM 519 C GLY A 36 14.576 1.121 -4.824 1.00 0.00 C +ATOM 520 O GLY A 36 14.401 0.961 -3.635 1.00 0.00 O +ATOM 521 H GLY A 36 14.795 3.001 -7.077 1.00 0.00 H +ATOM 522 HA2 GLY A 36 16.341 1.512 -5.977 1.00 0.00 H +ATOM 523 HA3 GLY A 36 16.193 2.485 -4.510 1.00 0.00 H +ATOM 524 N TYR A 37 13.837 0.530 -5.723 1.00 0.00 N +ATOM 525 CA TYR A 37 12.724 -0.380 -5.332 1.00 0.00 C +ATOM 526 C TYR A 37 11.768 -0.457 -6.519 1.00 0.00 C +ATOM 527 O TYR A 37 11.613 0.507 -7.240 1.00 0.00 O +ATOM 528 CB TYR A 37 12.002 0.224 -4.116 1.00 0.00 C +ATOM 529 CG TYR A 37 12.466 -0.430 -2.827 1.00 0.00 C +ATOM 530 CD1 TYR A 37 13.513 -1.369 -2.822 1.00 0.00 C +ATOM 531 CD2 TYR A 37 11.840 -0.087 -1.625 1.00 0.00 C +ATOM 532 CE1 TYR A 37 13.922 -1.953 -1.621 1.00 0.00 C +ATOM 533 CE2 TYR A 37 12.255 -0.673 -0.426 1.00 0.00 C +ATOM 534 CZ TYR A 37 13.295 -1.606 -0.422 1.00 0.00 C +ATOM 535 OH TYR A 37 13.704 -2.183 0.764 1.00 0.00 O +ATOM 536 H TYR A 37 14.002 0.707 -6.672 1.00 0.00 H +ATOM 537 HA TYR A 37 13.099 -1.359 -5.107 1.00 0.00 H +ATOM 538 HB2 TYR A 37 12.220 1.279 -4.071 1.00 0.00 H +ATOM 539 HB3 TYR A 37 10.936 0.097 -4.221 1.00 0.00 H +ATOM 540 HD1 TYR A 37 14.010 -1.641 -3.737 1.00 0.00 H +ATOM 541 HD2 TYR A 37 11.037 0.634 -1.623 1.00 0.00 H +ATOM 542 HE1 TYR A 37 14.720 -2.676 -1.621 1.00 0.00 H +ATOM 543 HE2 TYR A 37 11.771 -0.405 0.496 1.00 0.00 H +ATOM 544 HH TYR A 37 14.660 -2.277 0.733 1.00 0.00 H +ATOM 545 N ASP A 38 11.132 -1.574 -6.767 1.00 0.00 N +ATOM 546 CA ASP A 38 10.226 -1.605 -7.933 1.00 0.00 C +ATOM 547 C ASP A 38 8.985 -2.428 -7.620 1.00 0.00 C +ATOM 548 O ASP A 38 8.236 -2.768 -8.511 1.00 0.00 O +ATOM 549 CB ASP A 38 10.960 -2.204 -9.141 1.00 0.00 C +ATOM 550 CG ASP A 38 10.795 -1.281 -10.350 1.00 0.00 C +ATOM 551 OD1 ASP A 38 9.694 -0.798 -10.556 1.00 0.00 O +ATOM 552 OD2 ASP A 38 11.773 -1.074 -11.049 1.00 0.00 O +ATOM 553 H ASP A 38 11.252 -2.378 -6.210 1.00 0.00 H +ATOM 554 HA ASP A 38 9.929 -0.605 -8.163 1.00 0.00 H +ATOM 555 HB2 ASP A 38 12.010 -2.309 -8.908 1.00 0.00 H +ATOM 556 HB3 ASP A 38 10.542 -3.172 -9.371 1.00 0.00 H +ATOM 557 N VAL A 39 8.759 -2.789 -6.374 1.00 0.00 N +ATOM 558 CA VAL A 39 7.569 -3.613 -6.070 1.00 0.00 C +ATOM 559 C VAL A 39 7.618 -4.798 -7.026 1.00 0.00 C +ATOM 560 O VAL A 39 6.623 -5.423 -7.337 1.00 0.00 O +ATOM 561 CB VAL A 39 6.284 -2.774 -6.275 1.00 0.00 C +ATOM 562 CG1 VAL A 39 6.540 -1.310 -5.887 1.00 0.00 C +ATOM 563 CG2 VAL A 39 5.819 -2.800 -7.741 1.00 0.00 C +ATOM 564 H VAL A 39 9.375 -2.546 -5.657 1.00 0.00 H +ATOM 565 HA VAL A 39 7.627 -3.968 -5.047 1.00 0.00 H +ATOM 566 HB VAL A 39 5.500 -3.171 -5.646 1.00 0.00 H +ATOM 567 HG11 VAL A 39 7.599 -1.133 -5.793 1.00 0.00 H +ATOM 568 HG12 VAL A 39 6.134 -0.661 -6.648 1.00 0.00 H +ATOM 569 HG13 VAL A 39 6.059 -1.102 -4.949 1.00 0.00 H +ATOM 570 HG21 VAL A 39 6.326 -3.575 -8.286 1.00 0.00 H +ATOM 571 HG22 VAL A 39 4.754 -2.980 -7.772 1.00 0.00 H +ATOM 572 HG23 VAL A 39 6.030 -1.845 -8.201 1.00 0.00 H +ATOM 573 N GLU A 40 8.796 -5.075 -7.507 1.00 0.00 N +ATOM 574 CA GLU A 40 8.994 -6.168 -8.462 1.00 0.00 C +ATOM 575 C GLU A 40 10.286 -6.867 -8.090 1.00 0.00 C +ATOM 576 O GLU A 40 10.291 -7.994 -7.636 1.00 0.00 O +ATOM 577 CB GLU A 40 9.101 -5.579 -9.865 1.00 0.00 C +ATOM 578 CG GLU A 40 8.078 -6.255 -10.781 1.00 0.00 C +ATOM 579 CD GLU A 40 8.616 -7.613 -11.234 1.00 0.00 C +ATOM 580 OE1 GLU A 40 8.736 -8.491 -10.395 1.00 0.00 O +ATOM 581 OE2 GLU A 40 8.899 -7.754 -12.412 1.00 0.00 O +ATOM 582 H GLU A 40 9.565 -4.543 -7.240 1.00 0.00 H +ATOM 583 HA GLU A 40 8.175 -6.845 -8.405 1.00 0.00 H +ATOM 584 HB2 GLU A 40 8.904 -4.518 -9.824 1.00 0.00 H +ATOM 585 HB3 GLU A 40 10.095 -5.748 -10.251 1.00 0.00 H +ATOM 586 HG2 GLU A 40 7.151 -6.394 -10.244 1.00 0.00 H +ATOM 587 HG3 GLU A 40 7.904 -5.632 -11.646 1.00 0.00 H +ATOM 588 N LYS A 41 11.385 -6.186 -8.230 1.00 0.00 N +ATOM 589 CA LYS A 41 12.667 -6.796 -7.830 1.00 0.00 C +ATOM 590 C LYS A 41 12.613 -6.992 -6.317 1.00 0.00 C +ATOM 591 O LYS A 41 13.401 -7.717 -5.744 1.00 0.00 O +ATOM 592 CB LYS A 41 13.826 -5.867 -8.197 1.00 0.00 C +ATOM 593 CG LYS A 41 15.127 -6.411 -7.602 1.00 0.00 C +ATOM 594 CD LYS A 41 16.170 -6.565 -8.712 1.00 0.00 C +ATOM 595 CE LYS A 41 17.350 -7.389 -8.195 1.00 0.00 C +ATOM 596 NZ LYS A 41 18.567 -6.532 -8.137 1.00 0.00 N +ATOM 597 H LYS A 41 11.358 -5.264 -8.563 1.00 0.00 H +ATOM 598 HA LYS A 41 12.788 -7.752 -8.320 1.00 0.00 H +ATOM 599 HB2 LYS A 41 13.916 -5.812 -9.272 1.00 0.00 H +ATOM 600 HB3 LYS A 41 13.636 -4.882 -7.800 1.00 0.00 H +ATOM 601 HG2 LYS A 41 15.494 -5.724 -6.854 1.00 0.00 H +ATOM 602 HG3 LYS A 41 14.942 -7.373 -7.149 1.00 0.00 H +ATOM 603 HD2 LYS A 41 15.723 -7.065 -9.559 1.00 0.00 H +ATOM 604 HD3 LYS A 41 16.520 -5.590 -9.014 1.00 0.00 H +ATOM 605 HE2 LYS A 41 17.124 -7.761 -7.207 1.00 0.00 H +ATOM 606 HE3 LYS A 41 17.527 -8.221 -8.861 1.00 0.00 H +ATOM 607 HZ1 LYS A 41 18.666 -6.009 -9.030 1.00 0.00 H +ATOM 608 HZ2 LYS A 41 18.479 -5.859 -7.348 1.00 0.00 H +ATOM 609 HZ3 LYS A 41 19.405 -7.129 -7.993 1.00 0.00 H +ATOM 610 N ASN A 42 11.668 -6.353 -5.659 1.00 0.00 N +ATOM 611 CA ASN A 42 11.553 -6.509 -4.198 1.00 0.00 C +ATOM 612 C ASN A 42 10.072 -6.641 -3.854 1.00 0.00 C +ATOM 613 O ASN A 42 9.689 -6.503 -2.724 1.00 0.00 O +ATOM 614 CB ASN A 42 12.136 -5.266 -3.521 1.00 0.00 C +ATOM 615 CG ASN A 42 13.398 -4.825 -4.261 1.00 0.00 C +ATOM 616 OD1 ASN A 42 14.393 -5.523 -4.262 1.00 0.00 O +ATOM 617 ND2 ASN A 42 13.399 -3.686 -4.896 1.00 0.00 N +ATOM 618 H ASN A 42 11.021 -5.768 -6.129 1.00 0.00 H +ATOM 619 HA ASN A 42 12.088 -7.391 -3.877 1.00 0.00 H +ATOM 620 HB2 ASN A 42 11.409 -4.470 -3.544 1.00 0.00 H +ATOM 621 HB3 ASN A 42 12.382 -5.490 -2.501 1.00 0.00 H +ATOM 622 HD21 ASN A 42 12.596 -3.125 -4.895 1.00 0.00 H +ATOM 623 HD22 ASN A 42 14.202 -3.391 -5.375 1.00 0.00 H +ATOM 624 N ASN A 43 9.242 -6.902 -4.841 1.00 0.00 N +ATOM 625 CA ASN A 43 7.768 -7.031 -4.608 1.00 0.00 C +ATOM 626 C ASN A 43 7.465 -7.710 -3.272 1.00 0.00 C +ATOM 627 O ASN A 43 6.407 -7.521 -2.705 1.00 0.00 O +ATOM 628 CB ASN A 43 7.148 -7.855 -5.738 1.00 0.00 C +ATOM 629 CG ASN A 43 7.500 -9.333 -5.550 1.00 0.00 C +ATOM 630 OD1 ASN A 43 6.632 -10.150 -5.318 1.00 0.00 O +ATOM 631 ND2 ASN A 43 8.746 -9.712 -5.638 1.00 0.00 N +ATOM 632 H ASN A 43 9.591 -7.006 -5.749 1.00 0.00 H +ATOM 633 HA ASN A 43 7.324 -6.047 -4.611 1.00 0.00 H +ATOM 634 HB2 ASN A 43 6.074 -7.735 -5.723 1.00 0.00 H +ATOM 635 HB3 ASN A 43 7.534 -7.514 -6.684 1.00 0.00 H +ATOM 636 HD21 ASN A 43 9.446 -9.052 -5.824 1.00 0.00 H +ATOM 637 HD22 ASN A 43 8.980 -10.655 -5.517 1.00 0.00 H +ATOM 638 N SER A 44 8.360 -8.503 -2.760 1.00 0.00 N +ATOM 639 CA SER A 44 8.081 -9.183 -1.467 1.00 0.00 C +ATOM 640 C SER A 44 8.044 -8.174 -0.310 1.00 0.00 C +ATOM 641 O SER A 44 7.919 -8.556 0.836 1.00 0.00 O +ATOM 642 CB SER A 44 9.159 -10.228 -1.195 1.00 0.00 C +ATOM 643 OG SER A 44 9.521 -10.858 -2.417 1.00 0.00 O +ATOM 644 H SER A 44 9.206 -8.662 -3.226 1.00 0.00 H +ATOM 645 HA SER A 44 7.121 -9.673 -1.532 1.00 0.00 H +ATOM 646 HB2 SER A 44 10.027 -9.752 -0.771 1.00 0.00 H +ATOM 647 HB3 SER A 44 8.778 -10.963 -0.498 1.00 0.00 H +ATOM 648 HG SER A 44 8.732 -10.927 -2.961 1.00 0.00 H +ATOM 649 N ARG A 45 8.114 -6.894 -0.578 1.00 0.00 N +ATOM 650 CA ARG A 45 8.036 -5.922 0.545 1.00 0.00 C +ATOM 651 C ARG A 45 6.859 -4.985 0.293 1.00 0.00 C +ATOM 652 O ARG A 45 6.315 -4.403 1.204 1.00 0.00 O +ATOM 653 CB ARG A 45 9.357 -5.137 0.727 1.00 0.00 C +ATOM 654 CG ARG A 45 9.163 -3.635 0.450 1.00 0.00 C +ATOM 655 CD ARG A 45 10.503 -2.991 0.097 1.00 0.00 C +ATOM 656 NE ARG A 45 10.836 -3.254 -1.335 1.00 0.00 N +ATOM 657 CZ ARG A 45 9.894 -3.273 -2.243 1.00 0.00 C +ATOM 658 NH1 ARG A 45 9.024 -4.241 -2.258 1.00 0.00 N +ATOM 659 NH2 ARG A 45 9.820 -2.320 -3.130 1.00 0.00 N +ATOM 660 H ARG A 45 8.181 -6.578 -1.499 1.00 0.00 H +ATOM 661 HA ARG A 45 7.835 -6.475 1.453 1.00 0.00 H +ATOM 662 HB2 ARG A 45 9.660 -5.264 1.750 1.00 0.00 H +ATOM 663 HB3 ARG A 45 10.135 -5.526 0.077 1.00 0.00 H +ATOM 664 HG2 ARG A 45 8.473 -3.498 -0.365 1.00 0.00 H +ATOM 665 HG3 ARG A 45 8.767 -3.164 1.330 1.00 0.00 H +ATOM 666 HD2 ARG A 45 10.438 -1.928 0.260 1.00 0.00 H +ATOM 667 HD3 ARG A 45 11.277 -3.405 0.727 1.00 0.00 H +ATOM 668 HE ARG A 45 11.767 -3.414 -1.597 1.00 0.00 H +ATOM 669 HH11 ARG A 45 9.073 -4.963 -1.573 1.00 0.00 H +ATOM 670 HH12 ARG A 45 8.309 -4.262 -2.958 1.00 0.00 H +ATOM 671 HH21 ARG A 45 10.480 -1.573 -3.118 1.00 0.00 H +ATOM 672 HH22 ARG A 45 9.101 -2.340 -3.825 1.00 0.00 H +ATOM 673 N ILE A 46 6.461 -4.836 -0.937 1.00 0.00 N +ATOM 674 CA ILE A 46 5.311 -3.956 -1.235 1.00 0.00 C +ATOM 675 C ILE A 46 4.029 -4.755 -1.003 1.00 0.00 C +ATOM 676 O ILE A 46 3.082 -4.273 -0.422 1.00 0.00 O +ATOM 677 CB ILE A 46 5.409 -3.477 -2.689 1.00 0.00 C +ATOM 678 CG1 ILE A 46 5.638 -1.968 -2.677 1.00 0.00 C +ATOM 679 CG2 ILE A 46 4.109 -3.788 -3.458 1.00 0.00 C +ATOM 680 CD1 ILE A 46 7.140 -1.680 -2.735 1.00 0.00 C +ATOM 681 H ILE A 46 6.916 -5.305 -1.664 1.00 0.00 H +ATOM 682 HA ILE A 46 5.327 -3.104 -0.566 1.00 0.00 H +ATOM 683 HB ILE A 46 6.254 -3.973 -3.180 1.00 0.00 H +ATOM 684 HG12 ILE A 46 5.142 -1.521 -3.522 1.00 0.00 H +ATOM 685 HG13 ILE A 46 5.232 -1.554 -1.766 1.00 0.00 H +ATOM 686 HG21 ILE A 46 3.266 -3.684 -2.810 1.00 0.00 H +ATOM 687 HG22 ILE A 46 4.014 -3.106 -4.288 1.00 0.00 H +ATOM 688 HG23 ILE A 46 4.149 -4.800 -3.833 1.00 0.00 H +ATOM 689 HD11 ILE A 46 7.682 -2.569 -2.468 1.00 0.00 H +ATOM 690 HD12 ILE A 46 7.416 -1.376 -3.731 1.00 0.00 H +ATOM 691 HD13 ILE A 46 7.382 -0.891 -2.038 1.00 0.00 H +ATOM 692 N LYS A 47 3.998 -5.983 -1.447 1.00 0.00 N +ATOM 693 CA LYS A 47 2.782 -6.812 -1.227 1.00 0.00 C +ATOM 694 C LYS A 47 2.867 -7.419 0.176 1.00 0.00 C +ATOM 695 O LYS A 47 2.124 -8.310 0.535 1.00 0.00 O +ATOM 696 CB LYS A 47 2.711 -7.921 -2.275 1.00 0.00 C +ATOM 697 CG LYS A 47 3.891 -8.878 -2.089 1.00 0.00 C +ATOM 698 CD LYS A 47 3.383 -10.218 -1.551 1.00 0.00 C +ATOM 699 CE LYS A 47 3.612 -11.309 -2.599 1.00 0.00 C +ATOM 700 NZ LYS A 47 3.414 -12.647 -1.974 1.00 0.00 N +ATOM 701 H LYS A 47 4.781 -6.360 -1.909 1.00 0.00 H +ATOM 702 HA LYS A 47 1.902 -6.188 -1.297 1.00 0.00 H +ATOM 703 HB2 LYS A 47 1.784 -8.465 -2.160 1.00 0.00 H +ATOM 704 HB3 LYS A 47 2.754 -7.488 -3.262 1.00 0.00 H +ATOM 705 HG2 LYS A 47 4.381 -9.033 -3.039 1.00 0.00 H +ATOM 706 HG3 LYS A 47 4.592 -8.453 -1.387 1.00 0.00 H +ATOM 707 HD2 LYS A 47 3.919 -10.468 -0.646 1.00 0.00 H +ATOM 708 HD3 LYS A 47 2.328 -10.143 -1.336 1.00 0.00 H +ATOM 709 HE2 LYS A 47 2.909 -11.183 -3.409 1.00 0.00 H +ATOM 710 HE3 LYS A 47 4.619 -11.235 -2.981 1.00 0.00 H +ATOM 711 HZ1 LYS A 47 3.749 -12.623 -0.989 1.00 0.00 H +ATOM 712 HZ2 LYS A 47 2.405 -12.893 -1.992 1.00 0.00 H +ATOM 713 HZ3 LYS A 47 3.952 -13.361 -2.505 1.00 0.00 H +ATOM 714 N LEU A 48 3.775 -6.916 0.967 1.00 0.00 N +ATOM 715 CA LEU A 48 3.953 -7.399 2.355 1.00 0.00 C +ATOM 716 C LEU A 48 3.708 -6.204 3.278 1.00 0.00 C +ATOM 717 O LEU A 48 3.090 -6.319 4.313 1.00 0.00 O +ATOM 718 CB LEU A 48 5.387 -7.925 2.514 1.00 0.00 C +ATOM 719 CG LEU A 48 5.837 -7.808 3.970 1.00 0.00 C +ATOM 720 CD1 LEU A 48 4.904 -8.631 4.860 1.00 0.00 C +ATOM 721 CD2 LEU A 48 7.266 -8.340 4.105 1.00 0.00 C +ATOM 722 H LEU A 48 4.342 -6.197 0.646 1.00 0.00 H +ATOM 723 HA LEU A 48 3.242 -8.184 2.568 1.00 0.00 H +ATOM 724 HB2 LEU A 48 5.423 -8.960 2.211 1.00 0.00 H +ATOM 725 HB3 LEU A 48 6.051 -7.346 1.889 1.00 0.00 H +ATOM 726 HG LEU A 48 5.805 -6.772 4.275 1.00 0.00 H +ATOM 727 HD11 LEU A 48 4.141 -9.095 4.251 1.00 0.00 H +ATOM 728 HD12 LEU A 48 5.473 -9.396 5.368 1.00 0.00 H +ATOM 729 HD13 LEU A 48 4.438 -7.985 5.589 1.00 0.00 H +ATOM 730 HD21 LEU A 48 7.666 -8.552 3.125 1.00 0.00 H +ATOM 731 HD22 LEU A 48 7.881 -7.598 4.592 1.00 0.00 H +ATOM 732 HD23 LEU A 48 7.259 -9.245 4.695 1.00 0.00 H +ATOM 733 N GLY A 49 4.167 -5.046 2.877 1.00 0.00 N +ATOM 734 CA GLY A 49 3.945 -3.821 3.678 1.00 0.00 C +ATOM 735 C GLY A 49 2.585 -3.264 3.287 1.00 0.00 C +ATOM 736 O GLY A 49 1.960 -2.549 4.040 1.00 0.00 O +ATOM 737 H GLY A 49 4.634 -4.980 2.032 1.00 0.00 H +ATOM 738 HA2 GLY A 49 3.959 -4.062 4.732 1.00 0.00 H +ATOM 739 HA3 GLY A 49 4.707 -3.094 3.455 1.00 0.00 H +ATOM 740 N LEU A 50 2.110 -3.626 2.117 1.00 0.00 N +ATOM 741 CA LEU A 50 0.765 -3.163 1.682 1.00 0.00 C +ATOM 742 C LEU A 50 -0.218 -4.262 2.025 1.00 0.00 C +ATOM 743 O LEU A 50 -1.200 -4.042 2.706 1.00 0.00 O +ATOM 744 CB LEU A 50 0.695 -2.899 0.186 1.00 0.00 C +ATOM 745 CG LEU A 50 -0.753 -2.533 -0.159 1.00 0.00 C +ATOM 746 CD1 LEU A 50 -0.782 -1.284 -1.034 1.00 0.00 C +ATOM 747 CD2 LEU A 50 -1.402 -3.695 -0.902 1.00 0.00 C +ATOM 748 H LEU A 50 2.626 -4.228 1.549 1.00 0.00 H +ATOM 749 HA LEU A 50 0.512 -2.275 2.216 1.00 0.00 H +ATOM 750 HB2 LEU A 50 1.350 -2.085 -0.072 1.00 0.00 H +ATOM 751 HB3 LEU A 50 0.980 -3.786 -0.353 1.00 0.00 H +ATOM 752 HG LEU A 50 -1.299 -2.341 0.753 1.00 0.00 H +ATOM 753 HD11 LEU A 50 -0.032 -0.587 -0.691 1.00 0.00 H +ATOM 754 HD12 LEU A 50 -0.588 -1.546 -2.060 1.00 0.00 H +ATOM 755 HD13 LEU A 50 -1.756 -0.823 -0.963 1.00 0.00 H +ATOM 756 HD21 LEU A 50 -0.650 -4.430 -1.148 1.00 0.00 H +ATOM 757 HD22 LEU A 50 -2.156 -4.147 -0.275 1.00 0.00 H +ATOM 758 HD23 LEU A 50 -1.860 -3.330 -1.809 1.00 0.00 H +ATOM 759 N LYS A 51 0.066 -5.468 1.609 1.00 0.00 N +ATOM 760 CA LYS A 51 -0.831 -6.582 1.987 1.00 0.00 C +ATOM 761 C LYS A 51 -0.990 -6.473 3.493 1.00 0.00 C +ATOM 762 O LYS A 51 -1.995 -6.833 4.065 1.00 0.00 O +ATOM 763 CB LYS A 51 -0.184 -7.918 1.631 1.00 0.00 C +ATOM 764 CG LYS A 51 -1.071 -9.059 2.126 1.00 0.00 C +ATOM 765 CD LYS A 51 -0.628 -9.487 3.527 1.00 0.00 C +ATOM 766 CE LYS A 51 -1.434 -10.713 3.964 1.00 0.00 C +ATOM 767 NZ LYS A 51 -1.223 -11.820 2.988 1.00 0.00 N +ATOM 768 H LYS A 51 0.884 -5.638 1.097 1.00 0.00 H +ATOM 769 HA LYS A 51 -1.789 -6.478 1.497 1.00 0.00 H +ATOM 770 HB2 LYS A 51 -0.069 -7.989 0.559 1.00 0.00 H +ATOM 771 HB3 LYS A 51 0.784 -7.987 2.104 1.00 0.00 H +ATOM 772 HG2 LYS A 51 -2.099 -8.730 2.156 1.00 0.00 H +ATOM 773 HG3 LYS A 51 -0.980 -9.894 1.455 1.00 0.00 H +ATOM 774 HD2 LYS A 51 0.424 -9.733 3.513 1.00 0.00 H +ATOM 775 HD3 LYS A 51 -0.801 -8.681 4.223 1.00 0.00 H +ATOM 776 HE2 LYS A 51 -1.106 -11.029 4.943 1.00 0.00 H +ATOM 777 HE3 LYS A 51 -2.483 -10.460 4.000 1.00 0.00 H +ATOM 778 HZ1 LYS A 51 -0.409 -11.598 2.382 1.00 0.00 H +ATOM 779 HZ2 LYS A 51 -1.043 -12.706 3.503 1.00 0.00 H +ATOM 780 HZ3 LYS A 51 -2.072 -11.928 2.398 1.00 0.00 H +ATOM 781 N SER A 52 0.016 -5.927 4.125 1.00 0.00 N +ATOM 782 CA SER A 52 -0.031 -5.722 5.588 1.00 0.00 C +ATOM 783 C SER A 52 -0.567 -4.319 5.866 1.00 0.00 C +ATOM 784 O SER A 52 -1.211 -4.100 6.863 1.00 0.00 O +ATOM 785 CB SER A 52 1.365 -5.864 6.191 1.00 0.00 C +ATOM 786 OG SER A 52 1.814 -7.204 6.026 1.00 0.00 O +ATOM 787 H SER A 52 0.799 -5.631 3.621 1.00 0.00 H +ATOM 788 HA SER A 52 -0.694 -6.450 6.033 1.00 0.00 H +ATOM 789 HB2 SER A 52 2.045 -5.195 5.692 1.00 0.00 H +ATOM 790 HB3 SER A 52 1.327 -5.614 7.243 1.00 0.00 H +ATOM 791 HG SER A 52 1.894 -7.598 6.898 1.00 0.00 H +ATOM 792 N LEU A 53 -0.347 -3.353 5.001 1.00 0.00 N +ATOM 793 CA LEU A 53 -0.924 -2.017 5.312 1.00 0.00 C +ATOM 794 C LEU A 53 -2.427 -2.122 5.098 1.00 0.00 C +ATOM 795 O LEU A 53 -3.200 -2.136 6.035 1.00 0.00 O +ATOM 796 CB LEU A 53 -0.340 -0.931 4.407 1.00 0.00 C +ATOM 797 CG LEU A 53 0.439 0.065 5.263 1.00 0.00 C +ATOM 798 CD1 LEU A 53 -0.482 0.634 6.342 1.00 0.00 C +ATOM 799 CD2 LEU A 53 1.615 -0.653 5.926 1.00 0.00 C +ATOM 800 H LEU A 53 0.159 -3.507 4.159 1.00 0.00 H +ATOM 801 HA LEU A 53 -0.727 -1.774 6.347 1.00 0.00 H +ATOM 802 HB2 LEU A 53 0.319 -1.376 3.686 1.00 0.00 H +ATOM 803 HB3 LEU A 53 -1.140 -0.416 3.897 1.00 0.00 H +ATOM 804 HG LEU A 53 0.805 0.868 4.642 1.00 0.00 H +ATOM 805 HD11 LEU A 53 -1.504 0.370 6.114 1.00 0.00 H +ATOM 806 HD12 LEU A 53 -0.210 0.223 7.302 1.00 0.00 H +ATOM 807 HD13 LEU A 53 -0.385 1.710 6.369 1.00 0.00 H +ATOM 808 HD21 LEU A 53 1.354 -1.686 6.101 1.00 0.00 H +ATOM 809 HD22 LEU A 53 2.478 -0.605 5.279 1.00 0.00 H +ATOM 810 HD23 LEU A 53 1.845 -0.176 6.868 1.00 0.00 H +ATOM 811 N VAL A 54 -2.849 -2.220 3.870 1.00 0.00 N +ATOM 812 CA VAL A 54 -4.303 -2.351 3.597 1.00 0.00 C +ATOM 813 C VAL A 54 -4.945 -3.406 4.509 1.00 0.00 C +ATOM 814 O VAL A 54 -5.961 -3.165 5.130 1.00 0.00 O +ATOM 815 CB VAL A 54 -4.484 -2.777 2.146 1.00 0.00 C +ATOM 816 CG1 VAL A 54 -5.968 -3.013 1.858 1.00 0.00 C +ATOM 817 CG2 VAL A 54 -3.930 -1.688 1.223 1.00 0.00 C +ATOM 818 H VAL A 54 -2.205 -2.212 3.114 1.00 0.00 H +ATOM 819 HA VAL A 54 -4.781 -1.412 3.758 1.00 0.00 H +ATOM 820 HB VAL A 54 -3.940 -3.692 1.984 1.00 0.00 H +ATOM 821 HG11 VAL A 54 -6.536 -2.144 2.148 1.00 0.00 H +ATOM 822 HG12 VAL A 54 -6.107 -3.200 0.805 1.00 0.00 H +ATOM 823 HG13 VAL A 54 -6.310 -3.869 2.421 1.00 0.00 H +ATOM 824 HG21 VAL A 54 -2.888 -1.519 1.452 1.00 0.00 H +ATOM 825 HG22 VAL A 54 -4.024 -2.003 0.195 1.00 0.00 H +ATOM 826 HG23 VAL A 54 -4.480 -0.774 1.371 1.00 0.00 H +ATOM 827 N SER A 55 -4.389 -4.583 4.561 1.00 0.00 N +ATOM 828 CA SER A 55 -5.000 -5.668 5.396 1.00 0.00 C +ATOM 829 C SER A 55 -4.894 -5.370 6.899 1.00 0.00 C +ATOM 830 O SER A 55 -5.894 -5.322 7.587 1.00 0.00 O +ATOM 831 CB SER A 55 -4.302 -6.994 5.102 1.00 0.00 C +ATOM 832 OG SER A 55 -5.151 -8.067 5.489 1.00 0.00 O +ATOM 833 H SER A 55 -3.588 -4.766 4.026 1.00 0.00 H +ATOM 834 HA SER A 55 -6.043 -5.761 5.134 1.00 0.00 H +ATOM 835 HB2 SER A 55 -4.096 -7.068 4.047 1.00 0.00 H +ATOM 836 HB3 SER A 55 -3.372 -7.040 5.652 1.00 0.00 H +ATOM 837 HG SER A 55 -4.938 -8.301 6.395 1.00 0.00 H +ATOM 838 N LYS A 56 -3.700 -5.206 7.419 1.00 0.00 N +ATOM 839 CA LYS A 56 -3.542 -4.948 8.889 1.00 0.00 C +ATOM 840 C LYS A 56 -4.691 -4.086 9.397 1.00 0.00 C +ATOM 841 O LYS A 56 -5.228 -4.313 10.463 1.00 0.00 O +ATOM 842 CB LYS A 56 -2.225 -4.222 9.162 1.00 0.00 C +ATOM 843 CG LYS A 56 -2.165 -3.820 10.637 1.00 0.00 C +ATOM 844 CD LYS A 56 -0.856 -4.320 11.250 1.00 0.00 C +ATOM 845 CE LYS A 56 -1.071 -5.709 11.854 1.00 0.00 C +ATOM 846 NZ LYS A 56 -1.788 -5.580 13.155 1.00 0.00 N +ATOM 847 H LYS A 56 -2.909 -5.273 6.849 1.00 0.00 H +ATOM 848 HA LYS A 56 -3.545 -5.890 9.418 1.00 0.00 H +ATOM 849 HB2 LYS A 56 -1.398 -4.876 8.930 1.00 0.00 H +ATOM 850 HB3 LYS A 56 -2.169 -3.335 8.549 1.00 0.00 H +ATOM 851 HG2 LYS A 56 -2.214 -2.743 10.718 1.00 0.00 H +ATOM 852 HG3 LYS A 56 -2.998 -4.259 11.164 1.00 0.00 H +ATOM 853 HD2 LYS A 56 -0.097 -4.374 10.483 1.00 0.00 H +ATOM 854 HD3 LYS A 56 -0.538 -3.638 12.025 1.00 0.00 H +ATOM 855 HE2 LYS A 56 -1.661 -6.308 11.176 1.00 0.00 H +ATOM 856 HE3 LYS A 56 -0.115 -6.184 12.015 1.00 0.00 H +ATOM 857 HZ1 LYS A 56 -1.554 -4.666 13.591 1.00 0.00 H +ATOM 858 HZ2 LYS A 56 -2.814 -5.634 12.991 1.00 0.00 H +ATOM 859 HZ3 LYS A 56 -1.496 -6.350 13.789 1.00 0.00 H +ATOM 860 N GLY A 57 -5.079 -3.102 8.642 1.00 0.00 N +ATOM 861 CA GLY A 57 -6.202 -2.236 9.090 1.00 0.00 C +ATOM 862 C GLY A 57 -5.873 -0.770 8.836 1.00 0.00 C +ATOM 863 O GLY A 57 -6.738 0.081 8.880 1.00 0.00 O +ATOM 864 H GLY A 57 -4.635 -2.939 7.781 1.00 0.00 H +ATOM 865 HA2 GLY A 57 -7.099 -2.502 8.552 1.00 0.00 H +ATOM 866 HA3 GLY A 57 -6.360 -2.380 10.142 1.00 0.00 H +ATOM 867 N THR A 58 -4.641 -0.458 8.548 1.00 0.00 N +ATOM 868 CA THR A 58 -4.309 0.960 8.274 1.00 0.00 C +ATOM 869 C THR A 58 -5.111 1.357 7.051 1.00 0.00 C +ATOM 870 O THR A 58 -6.095 2.047 7.131 1.00 0.00 O +ATOM 871 CB THR A 58 -2.813 1.110 7.978 1.00 0.00 C +ATOM 872 OG1 THR A 58 -2.174 -0.152 8.106 1.00 0.00 O +ATOM 873 CG2 THR A 58 -2.190 2.101 8.964 1.00 0.00 C +ATOM 874 H THR A 58 -3.953 -1.150 8.486 1.00 0.00 H +ATOM 875 HA THR A 58 -4.584 1.578 9.116 1.00 0.00 H +ATOM 876 HB THR A 58 -2.683 1.481 6.974 1.00 0.00 H +ATOM 877 HG1 THR A 58 -2.034 -0.320 9.041 1.00 0.00 H +ATOM 878 HG21 THR A 58 -2.921 2.373 9.711 1.00 0.00 H +ATOM 879 HG22 THR A 58 -1.337 1.644 9.443 1.00 0.00 H +ATOM 880 HG23 THR A 58 -1.873 2.986 8.432 1.00 0.00 H +ATOM 881 N LEU A 59 -4.697 0.879 5.925 1.00 0.00 N +ATOM 882 CA LEU A 59 -5.404 1.163 4.653 1.00 0.00 C +ATOM 883 C LEU A 59 -6.576 0.185 4.485 1.00 0.00 C +ATOM 884 O LEU A 59 -6.597 -0.620 3.580 1.00 0.00 O +ATOM 885 CB LEU A 59 -4.403 0.950 3.532 1.00 0.00 C +ATOM 886 CG LEU A 59 -4.421 2.138 2.594 1.00 0.00 C +ATOM 887 CD1 LEU A 59 -3.613 3.278 3.204 1.00 0.00 C +ATOM 888 CD2 LEU A 59 -3.816 1.733 1.255 1.00 0.00 C +ATOM 889 H LEU A 59 -3.909 0.307 5.915 1.00 0.00 H +ATOM 890 HA LEU A 59 -5.760 2.175 4.641 1.00 0.00 H +ATOM 891 HB2 LEU A 59 -3.414 0.839 3.952 1.00 0.00 H +ATOM 892 HB3 LEU A 59 -4.661 0.064 2.991 1.00 0.00 H +ATOM 893 HG LEU A 59 -5.433 2.454 2.449 1.00 0.00 H +ATOM 894 HD11 LEU A 59 -2.780 2.869 3.755 1.00 0.00 H +ATOM 895 HD12 LEU A 59 -3.244 3.921 2.418 1.00 0.00 H +ATOM 896 HD13 LEU A 59 -4.241 3.849 3.872 1.00 0.00 H +ATOM 897 HD21 LEU A 59 -2.942 1.121 1.424 1.00 0.00 H +ATOM 898 HD22 LEU A 59 -4.543 1.171 0.687 1.00 0.00 H +ATOM 899 HD23 LEU A 59 -3.535 2.618 0.705 1.00 0.00 H +ATOM 900 N VAL A 60 -7.539 0.229 5.361 1.00 0.00 N +ATOM 901 CA VAL A 60 -8.681 -0.734 5.262 1.00 0.00 C +ATOM 902 C VAL A 60 -9.459 -0.580 3.951 1.00 0.00 C +ATOM 903 O VAL A 60 -10.461 0.103 3.878 1.00 0.00 O +ATOM 904 CB VAL A 60 -9.637 -0.569 6.445 1.00 0.00 C +ATOM 905 CG1 VAL A 60 -9.147 -1.441 7.596 1.00 0.00 C +ATOM 906 CG2 VAL A 60 -9.687 0.892 6.900 1.00 0.00 C +ATOM 907 H VAL A 60 -7.498 0.874 6.093 1.00 0.00 H +ATOM 908 HA VAL A 60 -8.276 -1.735 5.294 1.00 0.00 H +ATOM 909 HB VAL A 60 -10.625 -0.891 6.147 1.00 0.00 H +ATOM 910 HG11 VAL A 60 -8.496 -2.212 7.212 1.00 0.00 H +ATOM 911 HG12 VAL A 60 -8.604 -0.831 8.303 1.00 0.00 H +ATOM 912 HG13 VAL A 60 -9.993 -1.896 8.089 1.00 0.00 H +ATOM 913 HG21 VAL A 60 -9.753 1.536 6.036 1.00 0.00 H +ATOM 914 HG22 VAL A 60 -10.552 1.043 7.529 1.00 0.00 H +ATOM 915 HG23 VAL A 60 -8.792 1.126 7.457 1.00 0.00 H +ATOM 916 N GLN A 61 -9.004 -1.246 2.928 1.00 0.00 N +ATOM 917 CA GLN A 61 -9.679 -1.213 1.610 1.00 0.00 C +ATOM 918 C GLN A 61 -11.186 -1.446 1.782 1.00 0.00 C +ATOM 919 O GLN A 61 -11.910 -0.554 2.173 1.00 0.00 O +ATOM 920 CB GLN A 61 -9.050 -2.309 0.719 1.00 0.00 C +ATOM 921 CG GLN A 61 -9.856 -2.504 -0.575 1.00 0.00 C +ATOM 922 CD GLN A 61 -8.903 -2.913 -1.693 1.00 0.00 C +ATOM 923 OE1 GLN A 61 -9.009 -2.439 -2.806 1.00 0.00 O +ATOM 924 NE2 GLN A 61 -7.967 -3.785 -1.438 1.00 0.00 N +ATOM 925 H GLN A 61 -8.211 -1.783 3.029 1.00 0.00 H +ATOM 926 HA GLN A 61 -9.524 -0.255 1.159 1.00 0.00 H +ATOM 927 HB2 GLN A 61 -8.043 -2.016 0.463 1.00 0.00 H +ATOM 928 HB3 GLN A 61 -9.015 -3.239 1.258 1.00 0.00 H +ATOM 929 HG2 GLN A 61 -10.593 -3.278 -0.439 1.00 0.00 H +ATOM 930 HG3 GLN A 61 -10.343 -1.584 -0.838 1.00 0.00 H +ATOM 931 HE21 GLN A 61 -7.884 -4.165 -0.538 1.00 0.00 H +ATOM 932 HE22 GLN A 61 -7.353 -4.064 -2.144 1.00 0.00 H +ATOM 933 N THR A 62 -11.652 -2.634 1.486 1.00 0.00 N +ATOM 934 CA THR A 62 -13.107 -2.961 1.596 1.00 0.00 C +ATOM 935 C THR A 62 -13.426 -4.092 0.612 1.00 0.00 C +ATOM 936 O THR A 62 -14.419 -4.047 -0.085 1.00 0.00 O +ATOM 937 CB THR A 62 -13.983 -1.744 1.253 1.00 0.00 C +ATOM 938 OG1 THR A 62 -13.275 -0.850 0.407 1.00 0.00 O +ATOM 939 CG2 THR A 62 -14.390 -1.022 2.540 1.00 0.00 C +ATOM 940 H THR A 62 -11.038 -3.324 1.187 1.00 0.00 H +ATOM 941 HA THR A 62 -13.325 -3.290 2.594 1.00 0.00 H +ATOM 942 HB THR A 62 -14.874 -2.081 0.746 1.00 0.00 H +ATOM 943 HG1 THR A 62 -12.565 -1.338 -0.010 1.00 0.00 H +ATOM 944 HG21 THR A 62 -13.688 -1.262 3.325 1.00 0.00 H +ATOM 945 HG22 THR A 62 -14.391 0.044 2.370 1.00 0.00 H +ATOM 946 HG23 THR A 62 -15.380 -1.340 2.833 1.00 0.00 H +ATOM 947 N LYS A 63 -12.569 -5.090 0.550 1.00 0.00 N +ATOM 948 CA LYS A 63 -12.766 -6.247 -0.385 1.00 0.00 C +ATOM 949 C LYS A 63 -14.242 -6.412 -0.761 1.00 0.00 C +ATOM 950 O LYS A 63 -14.981 -7.131 -0.118 1.00 0.00 O +ATOM 951 CB LYS A 63 -12.278 -7.532 0.296 1.00 0.00 C +ATOM 952 CG LYS A 63 -10.751 -7.511 0.396 1.00 0.00 C +ATOM 953 CD LYS A 63 -10.243 -8.909 0.754 1.00 0.00 C +ATOM 954 CE LYS A 63 -8.890 -8.797 1.458 1.00 0.00 C +ATOM 955 NZ LYS A 63 -8.860 -9.718 2.629 1.00 0.00 N +ATOM 956 H LYS A 63 -11.774 -5.072 1.120 1.00 0.00 H +ATOM 957 HA LYS A 63 -12.188 -6.082 -1.281 1.00 0.00 H +ATOM 958 HB2 LYS A 63 -12.703 -7.598 1.287 1.00 0.00 H +ATOM 959 HB3 LYS A 63 -12.586 -8.386 -0.287 1.00 0.00 H +ATOM 960 HG2 LYS A 63 -10.333 -7.206 -0.552 1.00 0.00 H +ATOM 961 HG3 LYS A 63 -10.450 -6.813 1.163 1.00 0.00 H +ATOM 962 HD2 LYS A 63 -10.952 -9.392 1.411 1.00 0.00 H +ATOM 963 HD3 LYS A 63 -10.131 -9.493 -0.147 1.00 0.00 H +ATOM 964 HE2 LYS A 63 -8.102 -9.065 0.769 1.00 0.00 H +ATOM 965 HE3 LYS A 63 -8.743 -7.781 1.795 1.00 0.00 H +ATOM 966 HZ1 LYS A 63 -9.763 -9.658 3.141 1.00 0.00 H +ATOM 967 HZ2 LYS A 63 -8.716 -10.694 2.299 1.00 0.00 H +ATOM 968 HZ3 LYS A 63 -8.081 -9.447 3.263 1.00 0.00 H +ATOM 969 N GLY A 64 -14.672 -5.757 -1.808 1.00 0.00 N +ATOM 970 CA GLY A 64 -16.093 -5.880 -2.237 1.00 0.00 C +ATOM 971 C GLY A 64 -16.138 -6.157 -3.740 1.00 0.00 C +ATOM 972 O GLY A 64 -17.128 -5.913 -4.399 1.00 0.00 O +ATOM 973 H GLY A 64 -14.057 -5.187 -2.317 1.00 0.00 H +ATOM 974 HA2 GLY A 64 -16.563 -6.694 -1.702 1.00 0.00 H +ATOM 975 HA3 GLY A 64 -16.615 -4.959 -2.027 1.00 0.00 H +ATOM 976 N THR A 65 -15.064 -6.661 -4.286 1.00 0.00 N +ATOM 977 CA THR A 65 -15.027 -6.954 -5.747 1.00 0.00 C +ATOM 978 C THR A 65 -14.874 -5.638 -6.521 1.00 0.00 C +ATOM 979 O THR A 65 -15.338 -4.600 -6.093 1.00 0.00 O +ATOM 980 CB THR A 65 -16.319 -7.698 -6.154 1.00 0.00 C +ATOM 981 OG1 THR A 65 -15.979 -8.792 -6.994 1.00 0.00 O +ATOM 982 CG2 THR A 65 -17.288 -6.770 -6.902 1.00 0.00 C +ATOM 983 H THR A 65 -14.276 -6.845 -3.732 1.00 0.00 H +ATOM 984 HA THR A 65 -14.175 -7.585 -5.957 1.00 0.00 H +ATOM 985 HB THR A 65 -16.806 -8.072 -5.266 1.00 0.00 H +ATOM 986 HG1 THR A 65 -15.796 -9.550 -6.434 1.00 0.00 H +ATOM 987 HG21 THR A 65 -17.225 -5.774 -6.489 1.00 0.00 H +ATOM 988 HG22 THR A 65 -17.022 -6.742 -7.949 1.00 0.00 H +ATOM 989 HG23 THR A 65 -18.296 -7.141 -6.797 1.00 0.00 H +ATOM 990 N GLY A 66 -14.227 -5.674 -7.653 1.00 0.00 N +ATOM 991 CA GLY A 66 -14.046 -4.425 -8.447 1.00 0.00 C +ATOM 992 C GLY A 66 -15.362 -3.647 -8.483 1.00 0.00 C +ATOM 993 O GLY A 66 -16.219 -3.897 -9.307 1.00 0.00 O +ATOM 994 H GLY A 66 -13.859 -6.521 -7.981 1.00 0.00 H +ATOM 995 HA2 GLY A 66 -13.278 -3.817 -7.989 1.00 0.00 H +ATOM 996 HA3 GLY A 66 -13.753 -4.677 -9.455 1.00 0.00 H +ATOM 997 N ALA A 67 -15.530 -2.704 -7.597 1.00 0.00 N +ATOM 998 CA ALA A 67 -16.793 -1.913 -7.583 1.00 0.00 C +ATOM 999 C ALA A 67 -16.920 -1.174 -6.249 1.00 0.00 C +ATOM 1000 O ALA A 67 -17.351 -0.039 -6.197 1.00 0.00 O +ATOM 1001 CB ALA A 67 -17.986 -2.854 -7.758 1.00 0.00 C +ATOM 1002 H ALA A 67 -14.827 -2.516 -6.940 1.00 0.00 H +ATOM 1003 HA ALA A 67 -16.778 -1.197 -8.392 1.00 0.00 H +ATOM 1004 HB1 ALA A 67 -17.648 -3.878 -7.698 1.00 0.00 H +ATOM 1005 HB2 ALA A 67 -18.709 -2.668 -6.977 1.00 0.00 H +ATOM 1006 HB3 ALA A 67 -18.443 -2.681 -8.720 1.00 0.00 H +ATOM 1007 N SER A 68 -16.549 -1.807 -5.169 1.00 0.00 N +ATOM 1008 CA SER A 68 -16.652 -1.138 -3.842 1.00 0.00 C +ATOM 1009 C SER A 68 -15.560 -1.669 -2.911 1.00 0.00 C +ATOM 1010 O SER A 68 -15.837 -2.216 -1.862 1.00 0.00 O +ATOM 1011 CB SER A 68 -18.024 -1.425 -3.231 1.00 0.00 C +ATOM 1012 OG SER A 68 -18.950 -0.444 -3.677 1.00 0.00 O +ATOM 1013 H SER A 68 -16.205 -2.723 -5.232 1.00 0.00 H +ATOM 1014 HA SER A 68 -16.530 -0.072 -3.967 1.00 0.00 H +ATOM 1015 HB2 SER A 68 -18.362 -2.399 -3.542 1.00 0.00 H +ATOM 1016 HB3 SER A 68 -17.948 -1.400 -2.151 1.00 0.00 H +ATOM 1017 HG SER A 68 -19.016 -0.510 -4.632 1.00 0.00 H +ATOM 1018 N GLY A 69 -14.319 -1.509 -3.283 1.00 0.00 N +ATOM 1019 CA GLY A 69 -13.212 -2.003 -2.415 1.00 0.00 C +ATOM 1020 C GLY A 69 -11.926 -1.232 -2.744 1.00 0.00 C +ATOM 1021 O GLY A 69 -11.251 -1.529 -3.710 1.00 0.00 O +ATOM 1022 H GLY A 69 -14.115 -1.063 -4.131 1.00 0.00 H +ATOM 1023 HA2 GLY A 69 -13.480 -1.855 -1.385 1.00 0.00 H +ATOM 1024 HA3 GLY A 69 -13.054 -3.055 -2.598 1.00 0.00 H +ATOM 1025 N SER A 70 -11.578 -0.243 -1.958 1.00 0.00 N +ATOM 1026 CA SER A 70 -10.332 0.536 -2.248 1.00 0.00 C +ATOM 1027 C SER A 70 -9.458 0.637 -0.984 1.00 0.00 C +ATOM 1028 O SER A 70 -8.748 -0.275 -0.670 1.00 0.00 O +ATOM 1029 CB SER A 70 -10.712 1.935 -2.734 1.00 0.00 C +ATOM 1030 OG SER A 70 -11.393 1.831 -3.977 1.00 0.00 O +ATOM 1031 H SER A 70 -12.132 -0.014 -1.184 1.00 0.00 H +ATOM 1032 HA SER A 70 -9.774 0.030 -3.022 1.00 0.00 H +ATOM 1033 HB2 SER A 70 -11.359 2.406 -2.013 1.00 0.00 H +ATOM 1034 HB3 SER A 70 -9.815 2.530 -2.851 1.00 0.00 H +ATOM 1035 HG SER A 70 -10.755 1.980 -4.679 1.00 0.00 H +ATOM 1036 N PHE A 71 -9.535 1.744 -0.274 1.00 0.00 N +ATOM 1037 CA PHE A 71 -8.763 1.999 1.000 1.00 0.00 C +ATOM 1038 C PHE A 71 -9.079 3.436 1.415 1.00 0.00 C +ATOM 1039 O PHE A 71 -8.726 4.376 0.731 1.00 0.00 O +ATOM 1040 CB PHE A 71 -7.217 1.892 0.870 1.00 0.00 C +ATOM 1041 CG PHE A 71 -6.795 0.963 -0.224 1.00 0.00 C +ATOM 1042 CD1 PHE A 71 -6.847 1.369 -1.555 1.00 0.00 C +ATOM 1043 CD2 PHE A 71 -6.359 -0.324 0.104 1.00 0.00 C +ATOM 1044 CE1 PHE A 71 -6.465 0.484 -2.561 1.00 0.00 C +ATOM 1045 CE2 PHE A 71 -5.980 -1.210 -0.904 1.00 0.00 C +ATOM 1046 CZ PHE A 71 -6.032 -0.807 -2.235 1.00 0.00 C +ATOM 1047 H PHE A 71 -10.140 2.432 -0.569 1.00 0.00 H +ATOM 1048 HA PHE A 71 -9.111 1.331 1.774 1.00 0.00 H +ATOM 1049 HB2 PHE A 71 -6.806 2.868 0.680 1.00 0.00 H +ATOM 1050 HB3 PHE A 71 -6.814 1.522 1.803 1.00 0.00 H +ATOM 1051 HD1 PHE A 71 -7.181 2.365 -1.806 1.00 0.00 H +ATOM 1052 HD2 PHE A 71 -6.322 -0.632 1.137 1.00 0.00 H +ATOM 1053 HE1 PHE A 71 -6.509 0.793 -3.584 1.00 0.00 H +ATOM 1054 HE2 PHE A 71 -5.645 -2.204 -0.655 1.00 0.00 H +ATOM 1055 HZ PHE A 71 -5.743 -1.492 -3.011 1.00 0.00 H +ATOM 1056 N ARG A 72 -9.703 3.625 2.540 1.00 0.00 N +ATOM 1057 CA ARG A 72 -9.992 5.007 3.005 1.00 0.00 C +ATOM 1058 C ARG A 72 -9.046 5.257 4.161 1.00 0.00 C +ATOM 1059 O ARG A 72 -9.270 6.083 5.025 1.00 0.00 O +ATOM 1060 CB ARG A 72 -11.445 5.114 3.477 1.00 0.00 C +ATOM 1061 CG ARG A 72 -12.322 5.593 2.319 1.00 0.00 C +ATOM 1062 CD ARG A 72 -12.781 4.389 1.494 1.00 0.00 C +ATOM 1063 NE ARG A 72 -13.950 3.748 2.157 1.00 0.00 N +ATOM 1064 CZ ARG A 72 -13.764 2.869 3.103 1.00 0.00 C +ATOM 1065 NH1 ARG A 72 -12.945 1.870 2.915 1.00 0.00 N +ATOM 1066 NH2 ARG A 72 -14.396 2.988 4.238 1.00 0.00 N +ATOM 1067 H ARG A 72 -9.940 2.861 3.105 1.00 0.00 H +ATOM 1068 HA ARG A 72 -9.801 5.714 2.210 1.00 0.00 H +ATOM 1069 HB2 ARG A 72 -11.786 4.146 3.814 1.00 0.00 H +ATOM 1070 HB3 ARG A 72 -11.508 5.822 4.291 1.00 0.00 H +ATOM 1071 HG2 ARG A 72 -13.185 6.111 2.712 1.00 0.00 H +ATOM 1072 HG3 ARG A 72 -11.755 6.263 1.691 1.00 0.00 H +ATOM 1073 HD2 ARG A 72 -13.063 4.718 0.505 1.00 0.00 H +ATOM 1074 HD3 ARG A 72 -11.973 3.676 1.418 1.00 0.00 H +ATOM 1075 HE ARG A 72 -14.861 3.985 1.881 1.00 0.00 H +ATOM 1076 HH11 ARG A 72 -12.460 1.778 2.045 1.00 0.00 H +ATOM 1077 HH12 ARG A 72 -12.803 1.197 3.640 1.00 0.00 H +ATOM 1078 HH21 ARG A 72 -15.024 3.753 4.383 1.00 0.00 H +ATOM 1079 HH22 ARG A 72 -14.253 2.315 4.963 1.00 0.00 H +ATOM 1080 N LEU A 73 -8.000 4.488 4.181 1.00 0.00 N +ATOM 1081 CA LEU A 73 -7.008 4.564 5.256 1.00 0.00 C +ATOM 1082 C LEU A 73 -7.608 3.923 6.500 1.00 0.00 C +ATOM 1083 O LEU A 73 -8.149 2.842 6.429 1.00 0.00 O +ATOM 1084 CB LEU A 73 -6.567 6.002 5.543 1.00 0.00 C +ATOM 1085 CG LEU A 73 -5.284 6.002 6.415 1.00 0.00 C +ATOM 1086 CD1 LEU A 73 -4.751 4.577 6.649 1.00 0.00 C +ATOM 1087 CD2 LEU A 73 -4.193 6.812 5.722 1.00 0.00 C +ATOM 1088 H LEU A 73 -7.882 3.813 3.480 1.00 0.00 H +ATOM 1089 HA LEU A 73 -6.154 3.992 4.949 1.00 0.00 H +ATOM 1090 HB2 LEU A 73 -6.367 6.508 4.609 1.00 0.00 H +ATOM 1091 HB3 LEU A 73 -7.354 6.519 6.069 1.00 0.00 H +ATOM 1092 HG LEU A 73 -5.507 6.456 7.369 1.00 0.00 H +ATOM 1093 HD11 LEU A 73 -4.581 4.090 5.703 1.00 0.00 H +ATOM 1094 HD12 LEU A 73 -3.817 4.635 7.189 1.00 0.00 H +ATOM 1095 HD13 LEU A 73 -5.456 4.014 7.229 1.00 0.00 H +ATOM 1096 HD21 LEU A 73 -4.096 6.484 4.699 1.00 0.00 H +ATOM 1097 HD22 LEU A 73 -4.458 7.859 5.739 1.00 0.00 H +ATOM 1098 HD23 LEU A 73 -3.256 6.671 6.238 1.00 0.00 H +ATOM 1099 N SER A 74 -7.507 4.539 7.642 1.00 0.00 N +ATOM 1100 CA SER A 74 -8.060 3.893 8.853 1.00 0.00 C +ATOM 1101 C SER A 74 -9.587 3.936 8.818 1.00 0.00 C +ATOM 1102 O SER A 74 -10.192 4.294 7.827 1.00 0.00 O +ATOM 1103 CB SER A 74 -7.556 4.619 10.101 1.00 0.00 C +ATOM 1104 OG SER A 74 -6.154 4.416 10.229 1.00 0.00 O +ATOM 1105 H SER A 74 -7.057 5.402 7.709 1.00 0.00 H +ATOM 1106 HA SER A 74 -7.728 2.863 8.877 1.00 0.00 H +ATOM 1107 HB2 SER A 74 -7.754 5.674 10.011 1.00 0.00 H +ATOM 1108 HB3 SER A 74 -8.067 4.231 10.972 1.00 0.00 H +ATOM 1109 HG SER A 74 -5.958 3.515 9.960 1.00 0.00 H +ATOM 1110 N LYS A 75 -10.210 3.569 9.901 1.00 0.00 N +ATOM 1111 CA LYS A 75 -11.701 3.578 9.954 1.00 0.00 C +ATOM 1112 C LYS A 75 -12.192 4.976 10.336 1.00 0.00 C +ATOM 1113 O LYS A 75 -11.456 5.678 11.009 1.00 0.00 O +ATOM 1114 CB LYS A 75 -12.184 2.568 10.999 1.00 0.00 C +ATOM 1115 CG LYS A 75 -11.735 3.017 12.392 1.00 0.00 C +ATOM 1116 CD LYS A 75 -12.909 2.912 13.369 1.00 0.00 C +ATOM 1117 CE LYS A 75 -12.390 3.011 14.805 1.00 0.00 C +ATOM 1118 NZ LYS A 75 -11.997 4.418 15.098 1.00 0.00 N +ATOM 1119 OXT LYS A 75 -13.298 5.318 9.951 1.00 0.00 O +ATOM 1120 H LYS A 75 -9.691 3.285 10.681 1.00 0.00 H +ATOM 1121 HA LYS A 75 -12.097 3.310 8.985 1.00 0.00 H +ATOM 1122 HB2 LYS A 75 -13.263 2.509 10.969 1.00 0.00 H +ATOM 1123 HB3 LYS A 75 -11.764 1.597 10.783 1.00 0.00 H +ATOM 1124 HG2 LYS A 75 -10.927 2.384 12.730 1.00 0.00 H +ATOM 1125 HG3 LYS A 75 -11.396 4.041 12.349 1.00 0.00 H +ATOM 1126 HD2 LYS A 75 -13.606 3.716 13.181 1.00 0.00 H +ATOM 1127 HD3 LYS A 75 -13.407 1.964 13.233 1.00 0.00 H +ATOM 1128 HE2 LYS A 75 -13.166 2.704 15.491 1.00 0.00 H +ATOM 1129 HE3 LYS A 75 -11.531 2.366 14.922 1.00 0.00 H +ATOM 1130 HZ1 LYS A 75 -12.183 5.011 14.264 1.00 0.00 H +ATOM 1131 HZ2 LYS A 75 -12.550 4.771 15.906 1.00 0.00 H +ATOM 1132 HZ3 LYS A 75 -10.984 4.456 15.327 1.00 0.00 H +TER 1133 LYS A 75 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_HISTH1_1GHCA_1GHCA/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_HISTH1_1GHCA_1GHCA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3585f2c4bc71fd0f9f238961f8e155f8db9bd32b --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_HISTH1_1GHCA_1GHCA/state_b.pdb @@ -0,0 +1,1136 @@ +MODEL 1 +ATOM 1 N MET A 1 3.193 2.315 13.456 1.00 0.00 N +ATOM 2 CA MET A 1 4.408 1.793 12.769 1.00 0.00 C +ATOM 3 C MET A 1 4.471 0.273 12.930 1.00 0.00 C +ATOM 4 O MET A 1 4.218 -0.260 13.992 1.00 0.00 O +ATOM 5 CB MET A 1 5.657 2.424 13.391 1.00 0.00 C +ATOM 6 CG MET A 1 5.808 3.860 12.888 1.00 0.00 C +ATOM 7 SD MET A 1 6.397 4.914 14.238 1.00 0.00 S +ATOM 8 CE MET A 1 8.084 5.145 13.627 1.00 0.00 C +ATOM 9 H1 MET A 1 2.367 1.751 13.174 1.00 0.00 H +ATOM 10 H2 MET A 1 3.320 2.249 14.485 1.00 0.00 H +ATOM 11 H3 MET A 1 3.044 3.309 13.186 1.00 0.00 H +ATOM 12 HA MET A 1 4.364 2.043 11.719 1.00 0.00 H +ATOM 13 HB2 MET A 1 5.560 2.426 14.467 1.00 0.00 H +ATOM 14 HB3 MET A 1 6.528 1.852 13.109 1.00 0.00 H +ATOM 15 HG2 MET A 1 6.520 3.884 12.076 1.00 0.00 H +ATOM 16 HG3 MET A 1 4.853 4.222 12.539 1.00 0.00 H +ATOM 17 HE1 MET A 1 8.248 4.504 12.772 1.00 0.00 H +ATOM 18 HE2 MET A 1 8.225 6.173 13.335 1.00 0.00 H +ATOM 19 HE3 MET A 1 8.787 4.896 14.411 1.00 0.00 H +ATOM 20 N ALA A 2 4.807 -0.430 11.883 1.00 0.00 N +ATOM 21 CA ALA A 2 4.886 -1.915 11.977 1.00 0.00 C +ATOM 22 C ALA A 2 6.264 -2.380 11.504 1.00 0.00 C +ATOM 23 O ALA A 2 7.020 -2.971 12.249 1.00 0.00 O +ATOM 24 CB ALA A 2 3.805 -2.540 11.092 1.00 0.00 C +ATOM 25 H ALA A 2 5.007 0.019 11.036 1.00 0.00 H +ATOM 26 HA ALA A 2 4.734 -2.220 13.002 1.00 0.00 H +ATOM 27 HB1 ALA A 2 3.346 -1.772 10.487 1.00 0.00 H +ATOM 28 HB2 ALA A 2 4.252 -3.285 10.451 1.00 0.00 H +ATOM 29 HB3 ALA A 2 3.055 -3.004 11.715 1.00 0.00 H +ATOM 30 N GLY A 3 6.596 -2.116 10.270 1.00 0.00 N +ATOM 31 CA GLY A 3 7.925 -2.541 9.749 1.00 0.00 C +ATOM 32 C GLY A 3 8.921 -1.391 9.907 1.00 0.00 C +ATOM 33 O GLY A 3 8.580 -0.340 10.411 1.00 0.00 O +ATOM 34 H GLY A 3 5.971 -1.637 9.686 1.00 0.00 H +ATOM 35 HA2 GLY A 3 8.272 -3.400 10.306 1.00 0.00 H +ATOM 36 HA3 GLY A 3 7.839 -2.798 8.705 1.00 0.00 H +ATOM 37 N PRO A 4 10.125 -1.633 9.469 1.00 0.00 N +ATOM 38 CA PRO A 4 11.151 -0.576 9.585 1.00 0.00 C +ATOM 39 C PRO A 4 11.435 0.057 8.219 1.00 0.00 C +ATOM 40 O PRO A 4 12.356 0.835 8.070 1.00 0.00 O +ATOM 41 CB PRO A 4 12.391 -1.301 10.111 1.00 0.00 C +ATOM 42 CG PRO A 4 12.213 -2.785 9.740 1.00 0.00 C +ATOM 43 CD PRO A 4 10.710 -2.996 9.488 1.00 0.00 C +ATOM 44 HA PRO A 4 10.840 0.176 10.292 1.00 0.00 H +ATOM 45 HB2 PRO A 4 13.280 -0.902 9.642 1.00 0.00 H +ATOM 46 HB3 PRO A 4 12.456 -1.199 11.183 1.00 0.00 H +ATOM 47 HG2 PRO A 4 12.777 -3.013 8.846 1.00 0.00 H +ATOM 48 HG3 PRO A 4 12.537 -3.413 10.554 1.00 0.00 H +ATOM 49 HD2 PRO A 4 10.555 -3.487 8.537 1.00 0.00 H +ATOM 50 HD3 PRO A 4 10.274 -3.575 10.287 1.00 0.00 H +ATOM 51 N SER A 5 10.658 -0.266 7.218 1.00 0.00 N +ATOM 52 CA SER A 5 10.911 0.332 5.876 1.00 0.00 C +ATOM 53 C SER A 5 9.596 0.511 5.109 1.00 0.00 C +ATOM 54 O SER A 5 8.906 1.491 5.283 1.00 0.00 O +ATOM 55 CB SER A 5 11.849 -0.574 5.081 1.00 0.00 C +ATOM 56 OG SER A 5 13.186 -0.364 5.516 1.00 0.00 O +ATOM 57 H SER A 5 9.919 -0.896 7.348 1.00 0.00 H +ATOM 58 HA SER A 5 11.374 1.295 5.999 1.00 0.00 H +ATOM 59 HB2 SER A 5 11.581 -1.606 5.239 1.00 0.00 H +ATOM 60 HB3 SER A 5 11.761 -0.337 4.029 1.00 0.00 H +ATOM 61 HG SER A 5 13.405 -1.056 6.144 1.00 0.00 H +ATOM 62 N VAL A 6 9.265 -0.422 4.252 1.00 0.00 N +ATOM 63 CA VAL A 6 8.013 -0.326 3.440 1.00 0.00 C +ATOM 64 C VAL A 6 6.904 0.385 4.212 1.00 0.00 C +ATOM 65 O VAL A 6 6.352 1.340 3.744 1.00 0.00 O +ATOM 66 CB VAL A 6 7.587 -1.736 3.040 1.00 0.00 C +ATOM 67 CG1 VAL A 6 6.796 -2.405 4.165 1.00 0.00 C +ATOM 68 CG2 VAL A 6 6.727 -1.672 1.776 1.00 0.00 C +ATOM 69 H VAL A 6 9.854 -1.195 4.129 1.00 0.00 H +ATOM 70 HA VAL A 6 8.214 0.245 2.541 1.00 0.00 H +ATOM 71 HB VAL A 6 8.474 -2.313 2.846 1.00 0.00 H +ATOM 72 HG11 VAL A 6 7.401 -2.443 5.058 1.00 0.00 H +ATOM 73 HG12 VAL A 6 5.897 -1.840 4.360 1.00 0.00 H +ATOM 74 HG13 VAL A 6 6.531 -3.409 3.868 1.00 0.00 H +ATOM 75 HG21 VAL A 6 6.515 -0.640 1.537 1.00 0.00 H +ATOM 76 HG22 VAL A 6 7.259 -2.130 0.955 1.00 0.00 H +ATOM 77 HG23 VAL A 6 5.800 -2.200 1.943 1.00 0.00 H +ATOM 78 N THR A 7 6.567 -0.035 5.386 1.00 0.00 N +ATOM 79 CA THR A 7 5.503 0.690 6.110 1.00 0.00 C +ATOM 80 C THR A 7 5.858 2.181 6.090 1.00 0.00 C +ATOM 81 O THR A 7 5.105 3.003 5.614 1.00 0.00 O +ATOM 82 CB THR A 7 5.421 0.169 7.543 1.00 0.00 C +ATOM 83 OG1 THR A 7 6.654 0.413 8.206 1.00 0.00 O +ATOM 84 CG2 THR A 7 5.142 -1.337 7.509 1.00 0.00 C +ATOM 85 H THR A 7 7.005 -0.797 5.789 1.00 0.00 H +ATOM 86 HA THR A 7 4.560 0.534 5.609 1.00 0.00 H +ATOM 87 HB THR A 7 4.622 0.669 8.066 1.00 0.00 H +ATOM 88 HG1 THR A 7 6.469 0.547 9.138 1.00 0.00 H +ATOM 89 HG21 THR A 7 4.635 -1.589 6.590 1.00 0.00 H +ATOM 90 HG22 THR A 7 6.075 -1.878 7.566 1.00 0.00 H +ATOM 91 HG23 THR A 7 4.519 -1.606 8.349 1.00 0.00 H +ATOM 92 N GLU A 8 7.021 2.530 6.566 1.00 0.00 N +ATOM 93 CA GLU A 8 7.438 3.962 6.545 1.00 0.00 C +ATOM 94 C GLU A 8 7.248 4.530 5.132 1.00 0.00 C +ATOM 95 O GLU A 8 6.949 5.692 4.957 1.00 0.00 O +ATOM 96 CB GLU A 8 8.913 4.063 6.942 1.00 0.00 C +ATOM 97 CG GLU A 8 9.079 5.131 8.025 1.00 0.00 C +ATOM 98 CD GLU A 8 8.805 6.512 7.427 1.00 0.00 C +ATOM 99 OE1 GLU A 8 7.681 6.743 7.012 1.00 0.00 O +ATOM 100 OE2 GLU A 8 9.722 7.315 7.395 1.00 0.00 O +ATOM 101 H GLU A 8 7.631 1.848 6.918 1.00 0.00 H +ATOM 102 HA GLU A 8 6.837 4.524 7.244 1.00 0.00 H +ATOM 103 HB2 GLU A 8 9.246 3.110 7.322 1.00 0.00 H +ATOM 104 HB3 GLU A 8 9.504 4.332 6.080 1.00 0.00 H +ATOM 105 HG2 GLU A 8 8.382 4.940 8.828 1.00 0.00 H +ATOM 106 HG3 GLU A 8 10.088 5.101 8.409 1.00 0.00 H +ATOM 107 N LEU A 9 7.424 3.714 4.126 1.00 0.00 N +ATOM 108 CA LEU A 9 7.256 4.188 2.718 1.00 0.00 C +ATOM 109 C LEU A 9 5.775 4.119 2.330 1.00 0.00 C +ATOM 110 O LEU A 9 5.109 5.121 2.176 1.00 0.00 O +ATOM 111 CB LEU A 9 8.058 3.279 1.781 1.00 0.00 C +ATOM 112 CG LEU A 9 9.325 2.790 2.485 1.00 0.00 C +ATOM 113 CD1 LEU A 9 10.218 2.064 1.479 1.00 0.00 C +ATOM 114 CD2 LEU A 9 10.079 3.987 3.065 1.00 0.00 C +ATOM 115 H LEU A 9 7.667 2.787 4.298 1.00 0.00 H +ATOM 116 HA LEU A 9 7.610 5.204 2.630 1.00 0.00 H +ATOM 117 HB2 LEU A 9 7.454 2.429 1.506 1.00 0.00 H +ATOM 118 HB3 LEU A 9 8.331 3.826 0.892 1.00 0.00 H +ATOM 119 HG LEU A 9 9.056 2.111 3.281 1.00 0.00 H +ATOM 120 HD11 LEU A 9 10.052 2.470 0.492 1.00 0.00 H +ATOM 121 HD12 LEU A 9 11.254 2.199 1.754 1.00 0.00 H +ATOM 122 HD13 LEU A 9 9.979 1.011 1.480 1.00 0.00 H +ATOM 123 HD21 LEU A 9 9.395 4.609 3.623 1.00 0.00 H +ATOM 124 HD22 LEU A 9 10.862 3.635 3.721 1.00 0.00 H +ATOM 125 HD23 LEU A 9 10.514 4.562 2.261 1.00 0.00 H +ATOM 126 N ILE A 10 5.259 2.935 2.172 1.00 0.00 N +ATOM 127 CA ILE A 10 3.839 2.771 1.808 1.00 0.00 C +ATOM 128 C ILE A 10 2.999 3.503 2.847 1.00 0.00 C +ATOM 129 O ILE A 10 2.310 4.460 2.558 1.00 0.00 O +ATOM 130 CB ILE A 10 3.503 1.266 1.808 1.00 0.00 C +ATOM 131 CG1 ILE A 10 3.490 0.760 0.373 1.00 0.00 C +ATOM 132 CG2 ILE A 10 2.132 0.989 2.451 1.00 0.00 C +ATOM 133 CD1 ILE A 10 3.156 -0.726 0.366 1.00 0.00 C +ATOM 134 H ILE A 10 5.804 2.155 2.299 1.00 0.00 H +ATOM 135 HA ILE A 10 3.675 3.182 0.827 1.00 0.00 H +ATOM 136 HB ILE A 10 4.264 0.736 2.362 1.00 0.00 H +ATOM 137 HG12 ILE A 10 2.749 1.300 -0.194 1.00 0.00 H +ATOM 138 HG13 ILE A 10 4.457 0.909 -0.068 1.00 0.00 H +ATOM 139 HG21 ILE A 10 1.481 1.835 2.303 1.00 0.00 H +ATOM 140 HG22 ILE A 10 1.692 0.114 1.995 1.00 0.00 H +ATOM 141 HG23 ILE A 10 2.262 0.815 3.508 1.00 0.00 H +ATOM 142 HD11 ILE A 10 2.423 -0.935 1.130 1.00 0.00 H +ATOM 143 HD12 ILE A 10 2.760 -0.995 -0.596 1.00 0.00 H +ATOM 144 HD13 ILE A 10 4.052 -1.297 0.559 1.00 0.00 H +ATOM 145 N THR A 11 3.059 3.037 4.060 1.00 0.00 N +ATOM 146 CA THR A 11 2.277 3.671 5.144 1.00 0.00 C +ATOM 147 C THR A 11 2.500 5.186 5.115 1.00 0.00 C +ATOM 148 O THR A 11 1.685 5.947 5.592 1.00 0.00 O +ATOM 149 CB THR A 11 2.714 3.076 6.483 1.00 0.00 C +ATOM 150 OG1 THR A 11 3.009 1.699 6.306 1.00 0.00 O +ATOM 151 CG2 THR A 11 1.584 3.219 7.488 1.00 0.00 C +ATOM 152 H THR A 11 3.623 2.260 4.256 1.00 0.00 H +ATOM 153 HA THR A 11 1.228 3.465 4.989 1.00 0.00 H +ATOM 154 HB THR A 11 3.590 3.587 6.849 1.00 0.00 H +ATOM 155 HG1 THR A 11 3.001 1.280 7.170 1.00 0.00 H +ATOM 156 HG21 THR A 11 0.694 3.564 6.983 1.00 0.00 H +ATOM 157 HG22 THR A 11 1.388 2.262 7.948 1.00 0.00 H +ATOM 158 HG23 THR A 11 1.867 3.932 8.248 1.00 0.00 H +ATOM 159 N LYS A 12 3.579 5.639 4.530 1.00 0.00 N +ATOM 160 CA LYS A 12 3.807 7.110 4.447 1.00 0.00 C +ATOM 161 C LYS A 12 2.839 7.664 3.395 1.00 0.00 C +ATOM 162 O LYS A 12 2.131 8.623 3.629 1.00 0.00 O +ATOM 163 CB LYS A 12 5.272 7.390 4.055 1.00 0.00 C +ATOM 164 CG LYS A 12 5.373 8.629 3.158 1.00 0.00 C +ATOM 165 CD LYS A 12 6.844 9.013 2.981 1.00 0.00 C +ATOM 166 CE LYS A 12 7.561 7.933 2.169 1.00 0.00 C +ATOM 167 NZ LYS A 12 8.722 8.537 1.456 1.00 0.00 N +ATOM 168 H LYS A 12 4.220 5.018 4.126 1.00 0.00 H +ATOM 169 HA LYS A 12 3.594 7.562 5.405 1.00 0.00 H +ATOM 170 HB2 LYS A 12 5.853 7.554 4.950 1.00 0.00 H +ATOM 171 HB3 LYS A 12 5.670 6.539 3.529 1.00 0.00 H +ATOM 172 HG2 LYS A 12 4.938 8.412 2.193 1.00 0.00 H +ATOM 173 HG3 LYS A 12 4.842 9.450 3.617 1.00 0.00 H +ATOM 174 HD2 LYS A 12 6.908 9.958 2.460 1.00 0.00 H +ATOM 175 HD3 LYS A 12 7.312 9.103 3.949 1.00 0.00 H +ATOM 176 HE2 LYS A 12 7.911 7.157 2.833 1.00 0.00 H +ATOM 177 HE3 LYS A 12 6.877 7.509 1.449 1.00 0.00 H +ATOM 178 HZ1 LYS A 12 8.404 9.373 0.924 1.00 0.00 H +ATOM 179 HZ2 LYS A 12 9.445 8.820 2.148 1.00 0.00 H +ATOM 180 HZ3 LYS A 12 9.128 7.841 0.799 1.00 0.00 H +ATOM 181 N ALA A 13 2.787 7.041 2.247 1.00 0.00 N +ATOM 182 CA ALA A 13 1.845 7.499 1.188 1.00 0.00 C +ATOM 183 C ALA A 13 0.417 7.207 1.655 1.00 0.00 C +ATOM 184 O ALA A 13 -0.547 7.682 1.087 1.00 0.00 O +ATOM 185 CB ALA A 13 2.124 6.734 -0.109 1.00 0.00 C +ATOM 186 H ALA A 13 3.352 6.256 2.091 1.00 0.00 H +ATOM 187 HA ALA A 13 1.967 8.559 1.023 1.00 0.00 H +ATOM 188 HB1 ALA A 13 2.438 5.727 0.127 1.00 0.00 H +ATOM 189 HB2 ALA A 13 1.226 6.700 -0.707 1.00 0.00 H +ATOM 190 HB3 ALA A 13 2.906 7.235 -0.661 1.00 0.00 H +ATOM 191 N VAL A 14 0.289 6.425 2.695 1.00 0.00 N +ATOM 192 CA VAL A 14 -1.053 6.076 3.237 1.00 0.00 C +ATOM 193 C VAL A 14 -1.973 7.300 3.171 1.00 0.00 C +ATOM 194 O VAL A 14 -3.153 7.190 2.903 1.00 0.00 O +ATOM 195 CB VAL A 14 -0.875 5.622 4.690 1.00 0.00 C +ATOM 196 CG1 VAL A 14 -0.705 6.843 5.599 1.00 0.00 C +ATOM 197 CG2 VAL A 14 -2.097 4.824 5.140 1.00 0.00 C +ATOM 198 H VAL A 14 1.087 6.062 3.128 1.00 0.00 H +ATOM 199 HA VAL A 14 -1.479 5.271 2.657 1.00 0.00 H +ATOM 200 HB VAL A 14 0.006 4.997 4.758 1.00 0.00 H +ATOM 201 HG11 VAL A 14 0.156 7.411 5.280 1.00 0.00 H +ATOM 202 HG12 VAL A 14 -1.588 7.463 5.538 1.00 0.00 H +ATOM 203 HG13 VAL A 14 -0.564 6.516 6.618 1.00 0.00 H +ATOM 204 HG21 VAL A 14 -2.937 5.064 4.508 1.00 0.00 H +ATOM 205 HG22 VAL A 14 -1.881 3.769 5.071 1.00 0.00 H +ATOM 206 HG23 VAL A 14 -2.332 5.075 6.163 1.00 0.00 H +ATOM 207 N SER A 15 -1.438 8.465 3.413 1.00 0.00 N +ATOM 208 CA SER A 15 -2.276 9.697 3.365 1.00 0.00 C +ATOM 209 C SER A 15 -1.836 10.570 2.186 1.00 0.00 C +ATOM 210 O SER A 15 -2.531 11.483 1.786 1.00 0.00 O +ATOM 211 CB SER A 15 -2.107 10.478 4.668 1.00 0.00 C +ATOM 212 OG SER A 15 -2.717 11.754 4.532 1.00 0.00 O +ATOM 213 H SER A 15 -0.483 8.529 3.627 1.00 0.00 H +ATOM 214 HA SER A 15 -3.313 9.422 3.242 1.00 0.00 H +ATOM 215 HB2 SER A 15 -2.578 9.943 5.475 1.00 0.00 H +ATOM 216 HB3 SER A 15 -1.052 10.593 4.882 1.00 0.00 H +ATOM 217 HG SER A 15 -2.021 12.406 4.420 1.00 0.00 H +ATOM 218 N ALA A 16 -0.688 10.298 1.627 1.00 0.00 N +ATOM 219 CA ALA A 16 -0.207 11.115 0.477 1.00 0.00 C +ATOM 220 C ALA A 16 -0.611 10.439 -0.835 1.00 0.00 C +ATOM 221 O ALA A 16 -0.036 10.689 -1.875 1.00 0.00 O +ATOM 222 CB ALA A 16 1.317 11.237 0.539 1.00 0.00 C +ATOM 223 H ALA A 16 -0.142 9.558 1.963 1.00 0.00 H +ATOM 224 HA ALA A 16 -0.649 12.099 0.525 1.00 0.00 H +ATOM 225 HB1 ALA A 16 1.654 11.026 1.543 1.00 0.00 H +ATOM 226 HB2 ALA A 16 1.762 10.531 -0.146 1.00 0.00 H +ATOM 227 HB3 ALA A 16 1.609 12.239 0.263 1.00 0.00 H +ATOM 228 N SER A 17 -1.596 9.584 -0.794 1.00 0.00 N +ATOM 229 CA SER A 17 -2.034 8.893 -2.040 1.00 0.00 C +ATOM 230 C SER A 17 -2.105 9.905 -3.187 1.00 0.00 C +ATOM 231 O SER A 17 -2.053 11.100 -2.976 1.00 0.00 O +ATOM 232 CB SER A 17 -3.414 8.273 -1.819 1.00 0.00 C +ATOM 233 OG SER A 17 -4.065 8.116 -3.073 1.00 0.00 O +ATOM 234 H SER A 17 -2.046 9.395 0.056 1.00 0.00 H +ATOM 235 HA SER A 17 -1.326 8.117 -2.289 1.00 0.00 H +ATOM 236 HB2 SER A 17 -3.307 7.308 -1.353 1.00 0.00 H +ATOM 237 HB3 SER A 17 -3.999 8.918 -1.176 1.00 0.00 H +ATOM 238 HG SER A 17 -4.686 7.388 -2.996 1.00 0.00 H +ATOM 239 N LYS A 18 -2.221 9.436 -4.399 1.00 0.00 N +ATOM 240 CA LYS A 18 -2.293 10.372 -5.557 1.00 0.00 C +ATOM 241 C LYS A 18 -3.591 10.133 -6.331 1.00 0.00 C +ATOM 242 O LYS A 18 -3.675 10.393 -7.515 1.00 0.00 O +ATOM 243 CB LYS A 18 -1.098 10.130 -6.482 1.00 0.00 C +ATOM 244 CG LYS A 18 -0.527 11.473 -6.940 1.00 0.00 C +ATOM 245 CD LYS A 18 0.843 11.252 -7.585 1.00 0.00 C +ATOM 246 CE LYS A 18 0.744 10.138 -8.628 1.00 0.00 C +ATOM 247 NZ LYS A 18 1.760 10.364 -9.695 1.00 0.00 N +ATOM 248 H LYS A 18 -2.260 8.468 -4.549 1.00 0.00 H +ATOM 249 HA LYS A 18 -2.269 11.390 -5.199 1.00 0.00 H +ATOM 250 HB2 LYS A 18 -0.338 9.576 -5.949 1.00 0.00 H +ATOM 251 HB3 LYS A 18 -1.419 9.564 -7.344 1.00 0.00 H +ATOM 252 HG2 LYS A 18 -1.196 11.922 -7.660 1.00 0.00 H +ATOM 253 HG3 LYS A 18 -0.420 12.128 -6.089 1.00 0.00 H +ATOM 254 HD2 LYS A 18 1.167 12.166 -8.062 1.00 0.00 H +ATOM 255 HD3 LYS A 18 1.557 10.969 -6.826 1.00 0.00 H +ATOM 256 HE2 LYS A 18 0.925 9.184 -8.155 1.00 0.00 H +ATOM 257 HE3 LYS A 18 -0.244 10.141 -9.066 1.00 0.00 H +ATOM 258 HZ1 LYS A 18 2.623 10.761 -9.274 1.00 0.00 H +ATOM 259 HZ2 LYS A 18 1.984 9.459 -10.158 1.00 0.00 H +ATOM 260 HZ3 LYS A 18 1.382 11.029 -10.399 1.00 0.00 H +ATOM 261 N GLU A 19 -4.605 9.640 -5.673 1.00 0.00 N +ATOM 262 CA GLU A 19 -5.894 9.387 -6.376 1.00 0.00 C +ATOM 263 C GLU A 19 -7.051 9.502 -5.382 1.00 0.00 C +ATOM 264 O GLU A 19 -6.933 10.124 -4.345 1.00 0.00 O +ATOM 265 CB GLU A 19 -5.878 7.980 -6.977 1.00 0.00 C +ATOM 266 CG GLU A 19 -6.538 8.006 -8.357 1.00 0.00 C +ATOM 267 CD GLU A 19 -7.515 6.835 -8.478 1.00 0.00 C +ATOM 268 OE1 GLU A 19 -7.054 5.707 -8.530 1.00 0.00 O +ATOM 269 OE2 GLU A 19 -8.708 7.087 -8.517 1.00 0.00 O +ATOM 270 H GLU A 19 -4.518 9.437 -4.718 1.00 0.00 H +ATOM 271 HA GLU A 19 -6.023 10.113 -7.164 1.00 0.00 H +ATOM 272 HB2 GLU A 19 -4.857 7.640 -7.071 1.00 0.00 H +ATOM 273 HB3 GLU A 19 -6.424 7.307 -6.333 1.00 0.00 H +ATOM 274 HG2 GLU A 19 -7.071 8.937 -8.483 1.00 0.00 H +ATOM 275 HG3 GLU A 19 -5.779 7.919 -9.120 1.00 0.00 H +ATOM 276 N ARG A 20 -8.170 8.905 -5.690 1.00 0.00 N +ATOM 277 CA ARG A 20 -9.335 8.976 -4.765 1.00 0.00 C +ATOM 278 C ARG A 20 -9.694 7.566 -4.296 1.00 0.00 C +ATOM 279 O ARG A 20 -10.269 6.792 -5.035 1.00 0.00 O +ATOM 280 CB ARG A 20 -10.530 9.593 -5.493 1.00 0.00 C +ATOM 281 CG ARG A 20 -11.455 10.265 -4.476 1.00 0.00 C +ATOM 282 CD ARG A 20 -11.483 11.773 -4.729 1.00 0.00 C +ATOM 283 NE ARG A 20 -11.831 12.483 -3.467 1.00 0.00 N +ATOM 284 CZ ARG A 20 -11.884 13.787 -3.445 1.00 0.00 C +ATOM 285 NH1 ARG A 20 -10.805 14.487 -3.667 1.00 0.00 N +ATOM 286 NH2 ARG A 20 -13.014 14.391 -3.201 1.00 0.00 N +ATOM 287 H ARG A 20 -8.243 8.407 -6.531 1.00 0.00 H +ATOM 288 HA ARG A 20 -9.079 9.585 -3.910 1.00 0.00 H +ATOM 289 HB2 ARG A 20 -10.179 10.329 -6.202 1.00 0.00 H +ATOM 290 HB3 ARG A 20 -11.073 8.819 -6.014 1.00 0.00 H +ATOM 291 HG2 ARG A 20 -12.453 9.863 -4.577 1.00 0.00 H +ATOM 292 HG3 ARG A 20 -11.090 10.077 -3.477 1.00 0.00 H +ATOM 293 HD2 ARG A 20 -10.512 12.099 -5.070 1.00 0.00 H +ATOM 294 HD3 ARG A 20 -12.223 11.998 -5.484 1.00 0.00 H +ATOM 295 HE ARG A 20 -12.021 11.972 -2.652 1.00 0.00 H +ATOM 296 HH11 ARG A 20 -9.938 14.024 -3.855 1.00 0.00 H +ATOM 297 HH12 ARG A 20 -10.844 15.486 -3.651 1.00 0.00 H +ATOM 298 HH21 ARG A 20 -13.841 13.855 -3.032 1.00 0.00 H +ATOM 299 HH22 ARG A 20 -13.054 15.390 -3.184 1.00 0.00 H +ATOM 300 N LYS A 21 -9.350 7.240 -3.072 1.00 0.00 N +ATOM 301 CA LYS A 21 -9.647 5.885 -2.505 1.00 0.00 C +ATOM 302 C LYS A 21 -9.710 4.829 -3.614 1.00 0.00 C +ATOM 303 O LYS A 21 -10.741 4.239 -3.866 1.00 0.00 O +ATOM 304 CB LYS A 21 -10.977 5.922 -1.743 1.00 0.00 C +ATOM 305 CG LYS A 21 -12.144 6.068 -2.722 1.00 0.00 C +ATOM 306 CD LYS A 21 -13.108 7.141 -2.210 1.00 0.00 C +ATOM 307 CE LYS A 21 -14.138 6.501 -1.278 1.00 0.00 C +ATOM 308 NZ LYS A 21 -15.511 6.790 -1.781 1.00 0.00 N +ATOM 309 H LYS A 21 -8.885 7.899 -2.516 1.00 0.00 H +ATOM 310 HA LYS A 21 -8.859 5.618 -1.817 1.00 0.00 H +ATOM 311 HB2 LYS A 21 -11.093 5.006 -1.182 1.00 0.00 H +ATOM 312 HB3 LYS A 21 -10.976 6.761 -1.062 1.00 0.00 H +ATOM 313 HG2 LYS A 21 -11.769 6.353 -3.691 1.00 0.00 H +ATOM 314 HG3 LYS A 21 -12.667 5.127 -2.801 1.00 0.00 H +ATOM 315 HD2 LYS A 21 -12.553 7.895 -1.671 1.00 0.00 H +ATOM 316 HD3 LYS A 21 -13.616 7.597 -3.046 1.00 0.00 H +ATOM 317 HE2 LYS A 21 -13.983 5.433 -1.249 1.00 0.00 H +ATOM 318 HE3 LYS A 21 -14.026 6.909 -0.284 1.00 0.00 H +ATOM 319 HZ1 LYS A 21 -15.494 6.854 -2.818 1.00 0.00 H +ATOM 320 HZ2 LYS A 21 -16.154 6.026 -1.494 1.00 0.00 H +ATOM 321 HZ3 LYS A 21 -15.843 7.692 -1.383 1.00 0.00 H +ATOM 322 N GLY A 22 -8.610 4.586 -4.276 1.00 0.00 N +ATOM 323 CA GLY A 22 -8.599 3.566 -5.365 1.00 0.00 C +ATOM 324 C GLY A 22 -7.159 3.329 -5.826 1.00 0.00 C +ATOM 325 O GLY A 22 -6.794 3.634 -6.944 1.00 0.00 O +ATOM 326 H GLY A 22 -7.791 5.074 -4.055 1.00 0.00 H +ATOM 327 HA2 GLY A 22 -9.015 2.639 -4.994 1.00 0.00 H +ATOM 328 HA3 GLY A 22 -9.187 3.919 -6.198 1.00 0.00 H +ATOM 329 N LEU A 23 -6.336 2.792 -4.967 1.00 0.00 N +ATOM 330 CA LEU A 23 -4.915 2.539 -5.344 1.00 0.00 C +ATOM 331 C LEU A 23 -4.820 1.324 -6.272 1.00 0.00 C +ATOM 332 O LEU A 23 -4.196 1.375 -7.314 1.00 0.00 O +ATOM 333 CB LEU A 23 -4.098 2.264 -4.080 1.00 0.00 C +ATOM 334 CG LEU A 23 -4.359 3.362 -3.048 1.00 0.00 C +ATOM 335 CD1 LEU A 23 -4.404 2.749 -1.647 1.00 0.00 C +ATOM 336 CD2 LEU A 23 -3.244 4.410 -3.108 1.00 0.00 C +ATOM 337 H LEU A 23 -6.651 2.561 -4.070 1.00 0.00 H +ATOM 338 HA LEU A 23 -4.517 3.408 -5.846 1.00 0.00 H +ATOM 339 HB2 LEU A 23 -4.386 1.308 -3.668 1.00 0.00 H +ATOM 340 HB3 LEU A 23 -3.051 2.245 -4.328 1.00 0.00 H +ATOM 341 HG LEU A 23 -5.303 3.832 -3.263 1.00 0.00 H +ATOM 342 HD11 LEU A 23 -4.536 1.680 -1.726 1.00 0.00 H +ATOM 343 HD12 LEU A 23 -3.479 2.961 -1.132 1.00 0.00 H +ATOM 344 HD13 LEU A 23 -5.229 3.175 -1.095 1.00 0.00 H +ATOM 345 HD21 LEU A 23 -3.169 4.799 -4.111 1.00 0.00 H +ATOM 346 HD22 LEU A 23 -3.474 5.217 -2.427 1.00 0.00 H +ATOM 347 HD23 LEU A 23 -2.307 3.957 -2.824 1.00 0.00 H +ATOM 348 N SER A 24 -5.416 0.225 -5.894 1.00 0.00 N +ATOM 349 CA SER A 24 -5.341 -0.995 -6.739 1.00 0.00 C +ATOM 350 C SER A 24 -3.936 -1.581 -6.619 1.00 0.00 C +ATOM 351 O SER A 24 -3.441 -2.224 -7.523 1.00 0.00 O +ATOM 352 CB SER A 24 -5.626 -0.630 -8.196 1.00 0.00 C +ATOM 353 OG SER A 24 -6.355 -1.686 -8.810 1.00 0.00 O +ATOM 354 H SER A 24 -5.898 0.198 -5.051 1.00 0.00 H +ATOM 355 HA SER A 24 -6.067 -1.718 -6.395 1.00 0.00 H +ATOM 356 HB2 SER A 24 -6.210 0.274 -8.236 1.00 0.00 H +ATOM 357 HB3 SER A 24 -4.690 -0.475 -8.717 1.00 0.00 H +ATOM 358 HG SER A 24 -7.282 -1.437 -8.823 1.00 0.00 H +ATOM 359 N LEU A 25 -3.282 -1.352 -5.507 1.00 0.00 N +ATOM 360 CA LEU A 25 -1.900 -1.886 -5.338 1.00 0.00 C +ATOM 361 C LEU A 25 -1.026 -1.331 -6.468 1.00 0.00 C +ATOM 362 O LEU A 25 0.057 -1.816 -6.730 1.00 0.00 O +ATOM 363 CB LEU A 25 -1.938 -3.417 -5.416 1.00 0.00 C +ATOM 364 CG LEU A 25 -3.273 -3.930 -4.870 1.00 0.00 C +ATOM 365 CD1 LEU A 25 -3.229 -5.455 -4.764 1.00 0.00 C +ATOM 366 CD2 LEU A 25 -3.519 -3.330 -3.484 1.00 0.00 C +ATOM 367 H LEU A 25 -3.696 -0.824 -4.793 1.00 0.00 H +ATOM 368 HA LEU A 25 -1.493 -1.574 -4.375 1.00 0.00 H +ATOM 369 HB2 LEU A 25 -1.826 -3.728 -6.444 1.00 0.00 H +ATOM 370 HB3 LEU A 25 -1.134 -3.826 -4.827 1.00 0.00 H +ATOM 371 HG LEU A 25 -4.071 -3.640 -5.537 1.00 0.00 H +ATOM 372 HD11 LEU A 25 -2.227 -5.801 -4.973 1.00 0.00 H +ATOM 373 HD12 LEU A 25 -3.512 -5.755 -3.766 1.00 0.00 H +ATOM 374 HD13 LEU A 25 -3.915 -5.885 -5.478 1.00 0.00 H +ATOM 375 HD21 LEU A 25 -2.766 -2.584 -3.276 1.00 0.00 H +ATOM 376 HD22 LEU A 25 -4.496 -2.872 -3.458 1.00 0.00 H +ATOM 377 HD23 LEU A 25 -3.466 -4.111 -2.739 1.00 0.00 H +ATOM 378 N ALA A 26 -1.493 -0.305 -7.131 1.00 0.00 N +ATOM 379 CA ALA A 26 -0.706 0.307 -8.237 1.00 0.00 C +ATOM 380 C ALA A 26 -0.474 1.785 -7.915 1.00 0.00 C +ATOM 381 O ALA A 26 0.132 2.512 -8.675 1.00 0.00 O +ATOM 382 CB ALA A 26 -1.481 0.183 -9.551 1.00 0.00 C +ATOM 383 H ALA A 26 -2.364 0.074 -6.893 1.00 0.00 H +ATOM 384 HA ALA A 26 0.245 -0.198 -8.326 1.00 0.00 H +ATOM 385 HB1 ALA A 26 -2.392 -0.371 -9.381 1.00 0.00 H +ATOM 386 HB2 ALA A 26 -1.722 1.169 -9.920 1.00 0.00 H +ATOM 387 HB3 ALA A 26 -0.874 -0.335 -10.279 1.00 0.00 H +ATOM 388 N ALA A 27 -0.948 2.228 -6.781 1.00 0.00 N +ATOM 389 CA ALA A 27 -0.750 3.647 -6.386 1.00 0.00 C +ATOM 390 C ALA A 27 0.083 3.668 -5.106 1.00 0.00 C +ATOM 391 O ALA A 27 1.232 4.063 -5.110 1.00 0.00 O +ATOM 392 CB ALA A 27 -2.107 4.305 -6.132 1.00 0.00 C +ATOM 393 H ALA A 27 -1.427 1.622 -6.180 1.00 0.00 H +ATOM 394 HA ALA A 27 -0.227 4.175 -7.171 1.00 0.00 H +ATOM 395 HB1 ALA A 27 -2.703 3.664 -5.501 1.00 0.00 H +ATOM 396 HB2 ALA A 27 -1.960 5.257 -5.644 1.00 0.00 H +ATOM 397 HB3 ALA A 27 -2.615 4.457 -7.073 1.00 0.00 H +ATOM 398 N LEU A 28 -0.476 3.219 -4.013 1.00 0.00 N +ATOM 399 CA LEU A 28 0.304 3.190 -2.747 1.00 0.00 C +ATOM 400 C LEU A 28 1.553 2.352 -2.971 1.00 0.00 C +ATOM 401 O LEU A 28 2.653 2.817 -2.808 1.00 0.00 O +ATOM 402 CB LEU A 28 -0.515 2.542 -1.616 1.00 0.00 C +ATOM 403 CG LEU A 28 0.454 2.009 -0.549 1.00 0.00 C +ATOM 404 CD1 LEU A 28 1.288 3.174 -0.018 1.00 0.00 C +ATOM 405 CD2 LEU A 28 -0.306 1.362 0.600 1.00 0.00 C +ATOM 406 H LEU A 28 -1.397 2.889 -4.030 1.00 0.00 H +ATOM 407 HA LEU A 28 0.589 4.196 -2.468 1.00 0.00 H +ATOM 408 HB2 LEU A 28 -1.172 3.279 -1.176 1.00 0.00 H +ATOM 409 HB3 LEU A 28 -1.099 1.725 -2.012 1.00 0.00 H +ATOM 410 HG LEU A 28 1.109 1.277 -0.999 1.00 0.00 H +ATOM 411 HD11 LEU A 28 0.859 4.105 -0.358 1.00 0.00 H +ATOM 412 HD12 LEU A 28 1.294 3.155 1.060 1.00 0.00 H +ATOM 413 HD13 LEU A 28 2.298 3.091 -0.387 1.00 0.00 H +ATOM 414 HD21 LEU A 28 -1.317 1.147 0.287 1.00 0.00 H +ATOM 415 HD22 LEU A 28 0.186 0.444 0.885 1.00 0.00 H +ATOM 416 HD23 LEU A 28 -0.327 2.036 1.444 1.00 0.00 H +ATOM 417 N LYS A 29 1.373 1.103 -3.309 1.00 0.00 N +ATOM 418 CA LYS A 29 2.538 0.201 -3.518 1.00 0.00 C +ATOM 419 C LYS A 29 3.359 0.675 -4.728 1.00 0.00 C +ATOM 420 O LYS A 29 4.402 0.131 -5.020 1.00 0.00 O +ATOM 421 CB LYS A 29 2.034 -1.228 -3.766 1.00 0.00 C +ATOM 422 CG LYS A 29 1.793 -1.976 -2.433 1.00 0.00 C +ATOM 423 CD LYS A 29 1.011 -3.283 -2.711 1.00 0.00 C +ATOM 424 CE LYS A 29 1.104 -3.688 -4.192 1.00 0.00 C +ATOM 425 NZ LYS A 29 0.599 -5.080 -4.362 1.00 0.00 N +ATOM 426 H LYS A 29 0.463 0.752 -3.407 1.00 0.00 H +ATOM 427 HA LYS A 29 3.160 0.210 -2.637 1.00 0.00 H +ATOM 428 HB2 LYS A 29 1.107 -1.187 -4.319 1.00 0.00 H +ATOM 429 HB3 LYS A 29 2.768 -1.769 -4.345 1.00 0.00 H +ATOM 430 HG2 LYS A 29 2.746 -2.213 -1.983 1.00 0.00 H +ATOM 431 HG3 LYS A 29 1.241 -1.350 -1.771 1.00 0.00 H +ATOM 432 HD2 LYS A 29 1.414 -4.078 -2.104 1.00 0.00 H +ATOM 433 HD3 LYS A 29 -0.016 -3.136 -2.463 1.00 0.00 H +ATOM 434 HE2 LYS A 29 0.505 -3.014 -4.785 1.00 0.00 H +ATOM 435 HE3 LYS A 29 2.126 -3.634 -4.523 1.00 0.00 H +ATOM 436 HZ1 LYS A 29 -0.289 -5.195 -3.834 1.00 0.00 H +ATOM 437 HZ2 LYS A 29 0.425 -5.265 -5.370 1.00 0.00 H +ATOM 438 HZ3 LYS A 29 1.307 -5.752 -4.002 1.00 0.00 H +ATOM 439 N LYS A 30 2.910 1.684 -5.435 1.00 0.00 N +ATOM 440 CA LYS A 30 3.691 2.167 -6.611 1.00 0.00 C +ATOM 441 C LYS A 30 4.460 3.436 -6.225 1.00 0.00 C +ATOM 442 O LYS A 30 5.158 4.023 -7.028 1.00 0.00 O +ATOM 443 CB LYS A 30 2.739 2.466 -7.768 1.00 0.00 C +ATOM 444 CG LYS A 30 2.659 1.242 -8.684 1.00 0.00 C +ATOM 445 CD LYS A 30 3.706 1.364 -9.793 1.00 0.00 C +ATOM 446 CE LYS A 30 3.072 2.013 -11.025 1.00 0.00 C +ATOM 447 NZ LYS A 30 2.274 0.995 -11.765 1.00 0.00 N +ATOM 448 H LYS A 30 2.069 2.127 -5.196 1.00 0.00 H +ATOM 449 HA LYS A 30 4.393 1.402 -6.912 1.00 0.00 H +ATOM 450 HB2 LYS A 30 1.758 2.691 -7.376 1.00 0.00 H +ATOM 451 HB3 LYS A 30 3.107 3.311 -8.330 1.00 0.00 H +ATOM 452 HG2 LYS A 30 2.848 0.348 -8.107 1.00 0.00 H +ATOM 453 HG3 LYS A 30 1.676 1.183 -9.125 1.00 0.00 H +ATOM 454 HD2 LYS A 30 4.527 1.974 -9.446 1.00 0.00 H +ATOM 455 HD3 LYS A 30 4.071 0.382 -10.053 1.00 0.00 H +ATOM 456 HE2 LYS A 30 2.427 2.821 -10.715 1.00 0.00 H +ATOM 457 HE3 LYS A 30 3.849 2.398 -11.668 1.00 0.00 H +ATOM 458 HZ1 LYS A 30 2.487 0.048 -11.393 1.00 0.00 H +ATOM 459 HZ2 LYS A 30 1.260 1.196 -11.645 1.00 0.00 H +ATOM 460 HZ3 LYS A 30 2.517 1.031 -12.775 1.00 0.00 H +ATOM 461 N ALA A 31 4.350 3.844 -4.991 1.00 0.00 N +ATOM 462 CA ALA A 31 5.081 5.051 -4.519 1.00 0.00 C +ATOM 463 C ALA A 31 6.375 4.593 -3.842 1.00 0.00 C +ATOM 464 O ALA A 31 7.151 5.384 -3.345 1.00 0.00 O +ATOM 465 CB ALA A 31 4.210 5.803 -3.507 1.00 0.00 C +ATOM 466 H ALA A 31 3.801 3.341 -4.366 1.00 0.00 H +ATOM 467 HA ALA A 31 5.311 5.693 -5.356 1.00 0.00 H +ATOM 468 HB1 ALA A 31 3.621 5.094 -2.943 1.00 0.00 H +ATOM 469 HB2 ALA A 31 4.843 6.362 -2.833 1.00 0.00 H +ATOM 470 HB3 ALA A 31 3.553 6.481 -4.031 1.00 0.00 H +ATOM 471 N LEU A 32 6.601 3.308 -3.825 1.00 0.00 N +ATOM 472 CA LEU A 32 7.822 2.749 -3.194 1.00 0.00 C +ATOM 473 C LEU A 32 8.781 2.314 -4.294 1.00 0.00 C +ATOM 474 O LEU A 32 9.965 2.140 -4.083 1.00 0.00 O +ATOM 475 CB LEU A 32 7.410 1.543 -2.343 1.00 0.00 C +ATOM 476 CG LEU A 32 6.167 1.901 -1.522 1.00 0.00 C +ATOM 477 CD1 LEU A 32 6.320 3.322 -0.992 1.00 0.00 C +ATOM 478 CD2 LEU A 32 4.912 1.811 -2.389 1.00 0.00 C +ATOM 479 H LEU A 32 5.955 2.698 -4.233 1.00 0.00 H +ATOM 480 HA LEU A 32 8.290 3.496 -2.570 1.00 0.00 H +ATOM 481 HB2 LEU A 32 7.193 0.703 -2.987 1.00 0.00 H +ATOM 482 HB3 LEU A 32 8.210 1.286 -1.674 1.00 0.00 H +ATOM 483 HG LEU A 32 6.069 1.221 -0.695 1.00 0.00 H +ATOM 484 HD11 LEU A 32 7.368 3.580 -0.948 1.00 0.00 H +ATOM 485 HD12 LEU A 32 5.808 4.009 -1.649 1.00 0.00 H +ATOM 486 HD13 LEU A 32 5.893 3.385 -0.003 1.00 0.00 H +ATOM 487 HD21 LEU A 32 5.053 1.060 -3.153 1.00 0.00 H +ATOM 488 HD22 LEU A 32 4.069 1.545 -1.772 1.00 0.00 H +ATOM 489 HD23 LEU A 32 4.728 2.768 -2.852 1.00 0.00 H +ATOM 490 N ALA A 33 8.262 2.144 -5.471 1.00 0.00 N +ATOM 491 CA ALA A 33 9.103 1.725 -6.617 1.00 0.00 C +ATOM 492 C ALA A 33 9.566 2.967 -7.382 1.00 0.00 C +ATOM 493 O ALA A 33 9.608 2.981 -8.596 1.00 0.00 O +ATOM 494 CB ALA A 33 8.272 0.840 -7.546 1.00 0.00 C +ATOM 495 H ALA A 33 7.307 2.296 -5.599 1.00 0.00 H +ATOM 496 HA ALA A 33 9.957 1.177 -6.256 1.00 0.00 H +ATOM 497 HB1 ALA A 33 7.237 1.146 -7.505 1.00 0.00 H +ATOM 498 HB2 ALA A 33 8.636 0.937 -8.558 1.00 0.00 H +ATOM 499 HB3 ALA A 33 8.356 -0.190 -7.231 1.00 0.00 H +ATOM 500 N ALA A 34 9.894 4.019 -6.682 1.00 0.00 N +ATOM 501 CA ALA A 34 10.328 5.266 -7.376 1.00 0.00 C +ATOM 502 C ALA A 34 11.855 5.346 -7.464 1.00 0.00 C +ATOM 503 O ALA A 34 12.409 5.528 -8.531 1.00 0.00 O +ATOM 504 CB ALA A 34 9.806 6.481 -6.607 1.00 0.00 C +ATOM 505 H ALA A 34 9.836 3.994 -5.704 1.00 0.00 H +ATOM 506 HA ALA A 34 9.917 5.276 -8.373 1.00 0.00 H +ATOM 507 HB1 ALA A 34 9.893 6.301 -5.546 1.00 0.00 H +ATOM 508 HB2 ALA A 34 10.388 7.351 -6.874 1.00 0.00 H +ATOM 509 HB3 ALA A 34 8.771 6.649 -6.861 1.00 0.00 H +ATOM 510 N GLY A 35 12.547 5.239 -6.362 1.00 0.00 N +ATOM 511 CA GLY A 35 14.035 5.344 -6.425 1.00 0.00 C +ATOM 512 C GLY A 35 14.698 4.273 -5.557 1.00 0.00 C +ATOM 513 O GLY A 35 14.939 4.472 -4.383 1.00 0.00 O +ATOM 514 H GLY A 35 12.092 5.109 -5.503 1.00 0.00 H +ATOM 515 HA2 GLY A 35 14.356 5.220 -7.449 1.00 0.00 H +ATOM 516 HA3 GLY A 35 14.337 6.320 -6.074 1.00 0.00 H +ATOM 517 N GLY A 36 15.001 3.140 -6.129 1.00 0.00 N +ATOM 518 CA GLY A 36 15.657 2.057 -5.342 1.00 0.00 C +ATOM 519 C GLY A 36 14.576 1.121 -4.824 1.00 0.00 C +ATOM 520 O GLY A 36 14.401 0.961 -3.635 1.00 0.00 O +ATOM 521 H GLY A 36 14.795 3.001 -7.077 1.00 0.00 H +ATOM 522 HA2 GLY A 36 16.341 1.512 -5.977 1.00 0.00 H +ATOM 523 HA3 GLY A 36 16.193 2.485 -4.510 1.00 0.00 H +ATOM 524 N TYR A 37 13.837 0.530 -5.723 1.00 0.00 N +ATOM 525 CA TYR A 37 12.724 -0.380 -5.332 1.00 0.00 C +ATOM 526 C TYR A 37 11.768 -0.457 -6.519 1.00 0.00 C +ATOM 527 O TYR A 37 11.613 0.507 -7.240 1.00 0.00 O +ATOM 528 CB TYR A 37 12.002 0.224 -4.116 1.00 0.00 C +ATOM 529 CG TYR A 37 12.466 -0.430 -2.827 1.00 0.00 C +ATOM 530 CD1 TYR A 37 13.513 -1.369 -2.822 1.00 0.00 C +ATOM 531 CD2 TYR A 37 11.840 -0.087 -1.625 1.00 0.00 C +ATOM 532 CE1 TYR A 37 13.922 -1.953 -1.621 1.00 0.00 C +ATOM 533 CE2 TYR A 37 12.255 -0.673 -0.426 1.00 0.00 C +ATOM 534 CZ TYR A 37 13.295 -1.606 -0.422 1.00 0.00 C +ATOM 535 OH TYR A 37 13.704 -2.183 0.764 1.00 0.00 O +ATOM 536 H TYR A 37 14.002 0.707 -6.672 1.00 0.00 H +ATOM 537 HA TYR A 37 13.099 -1.359 -5.107 1.00 0.00 H +ATOM 538 HB2 TYR A 37 12.220 1.279 -4.071 1.00 0.00 H +ATOM 539 HB3 TYR A 37 10.936 0.097 -4.221 1.00 0.00 H +ATOM 540 HD1 TYR A 37 14.010 -1.641 -3.737 1.00 0.00 H +ATOM 541 HD2 TYR A 37 11.037 0.634 -1.623 1.00 0.00 H +ATOM 542 HE1 TYR A 37 14.720 -2.676 -1.621 1.00 0.00 H +ATOM 543 HE2 TYR A 37 11.771 -0.405 0.496 1.00 0.00 H +ATOM 544 HH TYR A 37 14.660 -2.277 0.733 1.00 0.00 H +ATOM 545 N ASP A 38 11.132 -1.574 -6.767 1.00 0.00 N +ATOM 546 CA ASP A 38 10.226 -1.605 -7.933 1.00 0.00 C +ATOM 547 C ASP A 38 8.985 -2.428 -7.620 1.00 0.00 C +ATOM 548 O ASP A 38 8.236 -2.768 -8.511 1.00 0.00 O +ATOM 549 CB ASP A 38 10.960 -2.204 -9.141 1.00 0.00 C +ATOM 550 CG ASP A 38 10.795 -1.281 -10.350 1.00 0.00 C +ATOM 551 OD1 ASP A 38 9.694 -0.798 -10.556 1.00 0.00 O +ATOM 552 OD2 ASP A 38 11.773 -1.074 -11.049 1.00 0.00 O +ATOM 553 H ASP A 38 11.252 -2.378 -6.210 1.00 0.00 H +ATOM 554 HA ASP A 38 9.929 -0.605 -8.163 1.00 0.00 H +ATOM 555 HB2 ASP A 38 12.010 -2.309 -8.908 1.00 0.00 H +ATOM 556 HB3 ASP A 38 10.542 -3.172 -9.371 1.00 0.00 H +ATOM 557 N VAL A 39 8.759 -2.789 -6.374 1.00 0.00 N +ATOM 558 CA VAL A 39 7.569 -3.613 -6.070 1.00 0.00 C +ATOM 559 C VAL A 39 7.618 -4.798 -7.026 1.00 0.00 C +ATOM 560 O VAL A 39 6.623 -5.423 -7.337 1.00 0.00 O +ATOM 561 CB VAL A 39 6.284 -2.774 -6.275 1.00 0.00 C +ATOM 562 CG1 VAL A 39 6.540 -1.310 -5.887 1.00 0.00 C +ATOM 563 CG2 VAL A 39 5.819 -2.800 -7.741 1.00 0.00 C +ATOM 564 H VAL A 39 9.375 -2.546 -5.657 1.00 0.00 H +ATOM 565 HA VAL A 39 7.627 -3.968 -5.047 1.00 0.00 H +ATOM 566 HB VAL A 39 5.500 -3.171 -5.646 1.00 0.00 H +ATOM 567 HG11 VAL A 39 7.599 -1.133 -5.793 1.00 0.00 H +ATOM 568 HG12 VAL A 39 6.134 -0.661 -6.648 1.00 0.00 H +ATOM 569 HG13 VAL A 39 6.059 -1.102 -4.949 1.00 0.00 H +ATOM 570 HG21 VAL A 39 6.326 -3.575 -8.286 1.00 0.00 H +ATOM 571 HG22 VAL A 39 4.754 -2.980 -7.772 1.00 0.00 H +ATOM 572 HG23 VAL A 39 6.030 -1.845 -8.201 1.00 0.00 H +ATOM 573 N GLU A 40 8.796 -5.075 -7.507 1.00 0.00 N +ATOM 574 CA GLU A 40 8.994 -6.168 -8.462 1.00 0.00 C +ATOM 575 C GLU A 40 10.286 -6.867 -8.090 1.00 0.00 C +ATOM 576 O GLU A 40 10.291 -7.994 -7.636 1.00 0.00 O +ATOM 577 CB GLU A 40 9.101 -5.579 -9.865 1.00 0.00 C +ATOM 578 CG GLU A 40 8.078 -6.255 -10.781 1.00 0.00 C +ATOM 579 CD GLU A 40 8.616 -7.613 -11.234 1.00 0.00 C +ATOM 580 OE1 GLU A 40 8.736 -8.491 -10.395 1.00 0.00 O +ATOM 581 OE2 GLU A 40 8.899 -7.754 -12.412 1.00 0.00 O +ATOM 582 H GLU A 40 9.565 -4.543 -7.240 1.00 0.00 H +ATOM 583 HA GLU A 40 8.175 -6.845 -8.405 1.00 0.00 H +ATOM 584 HB2 GLU A 40 8.904 -4.518 -9.824 1.00 0.00 H +ATOM 585 HB3 GLU A 40 10.095 -5.748 -10.251 1.00 0.00 H +ATOM 586 HG2 GLU A 40 7.151 -6.394 -10.244 1.00 0.00 H +ATOM 587 HG3 GLU A 40 7.904 -5.632 -11.646 1.00 0.00 H +ATOM 588 N LYS A 41 11.385 -6.186 -8.230 1.00 0.00 N +ATOM 589 CA LYS A 41 12.667 -6.796 -7.830 1.00 0.00 C +ATOM 590 C LYS A 41 12.613 -6.992 -6.317 1.00 0.00 C +ATOM 591 O LYS A 41 13.401 -7.717 -5.744 1.00 0.00 O +ATOM 592 CB LYS A 41 13.826 -5.867 -8.197 1.00 0.00 C +ATOM 593 CG LYS A 41 15.127 -6.411 -7.602 1.00 0.00 C +ATOM 594 CD LYS A 41 16.170 -6.565 -8.712 1.00 0.00 C +ATOM 595 CE LYS A 41 17.350 -7.389 -8.195 1.00 0.00 C +ATOM 596 NZ LYS A 41 18.567 -6.532 -8.137 1.00 0.00 N +ATOM 597 H LYS A 41 11.358 -5.264 -8.563 1.00 0.00 H +ATOM 598 HA LYS A 41 12.788 -7.752 -8.320 1.00 0.00 H +ATOM 599 HB2 LYS A 41 13.916 -5.812 -9.272 1.00 0.00 H +ATOM 600 HB3 LYS A 41 13.636 -4.882 -7.800 1.00 0.00 H +ATOM 601 HG2 LYS A 41 15.494 -5.724 -6.854 1.00 0.00 H +ATOM 602 HG3 LYS A 41 14.942 -7.373 -7.149 1.00 0.00 H +ATOM 603 HD2 LYS A 41 15.723 -7.065 -9.559 1.00 0.00 H +ATOM 604 HD3 LYS A 41 16.520 -5.590 -9.014 1.00 0.00 H +ATOM 605 HE2 LYS A 41 17.124 -7.761 -7.207 1.00 0.00 H +ATOM 606 HE3 LYS A 41 17.527 -8.221 -8.861 1.00 0.00 H +ATOM 607 HZ1 LYS A 41 18.666 -6.009 -9.030 1.00 0.00 H +ATOM 608 HZ2 LYS A 41 18.479 -5.859 -7.348 1.00 0.00 H +ATOM 609 HZ3 LYS A 41 19.405 -7.129 -7.993 1.00 0.00 H +ATOM 610 N ASN A 42 11.668 -6.353 -5.659 1.00 0.00 N +ATOM 611 CA ASN A 42 11.553 -6.509 -4.198 1.00 0.00 C +ATOM 612 C ASN A 42 10.072 -6.641 -3.854 1.00 0.00 C +ATOM 613 O ASN A 42 9.689 -6.503 -2.724 1.00 0.00 O +ATOM 614 CB ASN A 42 12.136 -5.266 -3.521 1.00 0.00 C +ATOM 615 CG ASN A 42 13.398 -4.825 -4.261 1.00 0.00 C +ATOM 616 OD1 ASN A 42 14.393 -5.523 -4.262 1.00 0.00 O +ATOM 617 ND2 ASN A 42 13.399 -3.686 -4.896 1.00 0.00 N +ATOM 618 H ASN A 42 11.021 -5.768 -6.129 1.00 0.00 H +ATOM 619 HA ASN A 42 12.088 -7.391 -3.877 1.00 0.00 H +ATOM 620 HB2 ASN A 42 11.409 -4.470 -3.544 1.00 0.00 H +ATOM 621 HB3 ASN A 42 12.382 -5.490 -2.501 1.00 0.00 H +ATOM 622 HD21 ASN A 42 12.596 -3.125 -4.895 1.00 0.00 H +ATOM 623 HD22 ASN A 42 14.202 -3.391 -5.375 1.00 0.00 H +ATOM 624 N ASN A 43 9.242 -6.902 -4.841 1.00 0.00 N +ATOM 625 CA ASN A 43 7.768 -7.031 -4.608 1.00 0.00 C +ATOM 626 C ASN A 43 7.465 -7.710 -3.272 1.00 0.00 C +ATOM 627 O ASN A 43 6.407 -7.521 -2.705 1.00 0.00 O +ATOM 628 CB ASN A 43 7.148 -7.855 -5.738 1.00 0.00 C +ATOM 629 CG ASN A 43 7.500 -9.333 -5.550 1.00 0.00 C +ATOM 630 OD1 ASN A 43 6.632 -10.150 -5.318 1.00 0.00 O +ATOM 631 ND2 ASN A 43 8.746 -9.712 -5.638 1.00 0.00 N +ATOM 632 H ASN A 43 9.591 -7.006 -5.749 1.00 0.00 H +ATOM 633 HA ASN A 43 7.324 -6.047 -4.611 1.00 0.00 H +ATOM 634 HB2 ASN A 43 6.074 -7.735 -5.723 1.00 0.00 H +ATOM 635 HB3 ASN A 43 7.534 -7.514 -6.684 1.00 0.00 H +ATOM 636 HD21 ASN A 43 9.446 -9.052 -5.824 1.00 0.00 H +ATOM 637 HD22 ASN A 43 8.980 -10.655 -5.517 1.00 0.00 H +ATOM 638 N SER A 44 8.360 -8.503 -2.760 1.00 0.00 N +ATOM 639 CA SER A 44 8.081 -9.183 -1.467 1.00 0.00 C +ATOM 640 C SER A 44 8.044 -8.174 -0.310 1.00 0.00 C +ATOM 641 O SER A 44 7.919 -8.556 0.836 1.00 0.00 O +ATOM 642 CB SER A 44 9.159 -10.228 -1.195 1.00 0.00 C +ATOM 643 OG SER A 44 9.521 -10.858 -2.417 1.00 0.00 O +ATOM 644 H SER A 44 9.206 -8.662 -3.226 1.00 0.00 H +ATOM 645 HA SER A 44 7.121 -9.673 -1.532 1.00 0.00 H +ATOM 646 HB2 SER A 44 10.027 -9.752 -0.771 1.00 0.00 H +ATOM 647 HB3 SER A 44 8.778 -10.963 -0.498 1.00 0.00 H +ATOM 648 HG SER A 44 8.732 -10.927 -2.961 1.00 0.00 H +ATOM 649 N ARG A 45 8.114 -6.894 -0.578 1.00 0.00 N +ATOM 650 CA ARG A 45 8.036 -5.922 0.545 1.00 0.00 C +ATOM 651 C ARG A 45 6.859 -4.985 0.293 1.00 0.00 C +ATOM 652 O ARG A 45 6.315 -4.403 1.204 1.00 0.00 O +ATOM 653 CB ARG A 45 9.357 -5.137 0.727 1.00 0.00 C +ATOM 654 CG ARG A 45 9.163 -3.635 0.450 1.00 0.00 C +ATOM 655 CD ARG A 45 10.503 -2.991 0.097 1.00 0.00 C +ATOM 656 NE ARG A 45 10.836 -3.254 -1.335 1.00 0.00 N +ATOM 657 CZ ARG A 45 9.894 -3.273 -2.243 1.00 0.00 C +ATOM 658 NH1 ARG A 45 9.024 -4.241 -2.258 1.00 0.00 N +ATOM 659 NH2 ARG A 45 9.820 -2.320 -3.130 1.00 0.00 N +ATOM 660 H ARG A 45 8.181 -6.578 -1.499 1.00 0.00 H +ATOM 661 HA ARG A 45 7.835 -6.475 1.453 1.00 0.00 H +ATOM 662 HB2 ARG A 45 9.660 -5.264 1.750 1.00 0.00 H +ATOM 663 HB3 ARG A 45 10.135 -5.526 0.077 1.00 0.00 H +ATOM 664 HG2 ARG A 45 8.473 -3.498 -0.365 1.00 0.00 H +ATOM 665 HG3 ARG A 45 8.767 -3.164 1.330 1.00 0.00 H +ATOM 666 HD2 ARG A 45 10.438 -1.928 0.260 1.00 0.00 H +ATOM 667 HD3 ARG A 45 11.277 -3.405 0.727 1.00 0.00 H +ATOM 668 HE ARG A 45 11.767 -3.414 -1.597 1.00 0.00 H +ATOM 669 HH11 ARG A 45 9.073 -4.963 -1.573 1.00 0.00 H +ATOM 670 HH12 ARG A 45 8.309 -4.262 -2.958 1.00 0.00 H +ATOM 671 HH21 ARG A 45 10.480 -1.573 -3.118 1.00 0.00 H +ATOM 672 HH22 ARG A 45 9.101 -2.340 -3.825 1.00 0.00 H +ATOM 673 N ILE A 46 6.461 -4.836 -0.937 1.00 0.00 N +ATOM 674 CA ILE A 46 5.311 -3.956 -1.235 1.00 0.00 C +ATOM 675 C ILE A 46 4.029 -4.755 -1.003 1.00 0.00 C +ATOM 676 O ILE A 46 3.082 -4.273 -0.422 1.00 0.00 O +ATOM 677 CB ILE A 46 5.409 -3.477 -2.689 1.00 0.00 C +ATOM 678 CG1 ILE A 46 5.638 -1.968 -2.677 1.00 0.00 C +ATOM 679 CG2 ILE A 46 4.109 -3.788 -3.458 1.00 0.00 C +ATOM 680 CD1 ILE A 46 7.140 -1.680 -2.735 1.00 0.00 C +ATOM 681 H ILE A 46 6.916 -5.305 -1.664 1.00 0.00 H +ATOM 682 HA ILE A 46 5.327 -3.104 -0.566 1.00 0.00 H +ATOM 683 HB ILE A 46 6.254 -3.973 -3.180 1.00 0.00 H +ATOM 684 HG12 ILE A 46 5.142 -1.521 -3.522 1.00 0.00 H +ATOM 685 HG13 ILE A 46 5.232 -1.554 -1.766 1.00 0.00 H +ATOM 686 HG21 ILE A 46 3.266 -3.684 -2.810 1.00 0.00 H +ATOM 687 HG22 ILE A 46 4.014 -3.106 -4.288 1.00 0.00 H +ATOM 688 HG23 ILE A 46 4.149 -4.800 -3.833 1.00 0.00 H +ATOM 689 HD11 ILE A 46 7.682 -2.569 -2.468 1.00 0.00 H +ATOM 690 HD12 ILE A 46 7.416 -1.376 -3.731 1.00 0.00 H +ATOM 691 HD13 ILE A 46 7.382 -0.891 -2.038 1.00 0.00 H +ATOM 692 N LYS A 47 3.998 -5.983 -1.447 1.00 0.00 N +ATOM 693 CA LYS A 47 2.782 -6.812 -1.227 1.00 0.00 C +ATOM 694 C LYS A 47 2.867 -7.419 0.176 1.00 0.00 C +ATOM 695 O LYS A 47 2.124 -8.310 0.535 1.00 0.00 O +ATOM 696 CB LYS A 47 2.711 -7.921 -2.275 1.00 0.00 C +ATOM 697 CG LYS A 47 3.891 -8.878 -2.089 1.00 0.00 C +ATOM 698 CD LYS A 47 3.383 -10.218 -1.551 1.00 0.00 C +ATOM 699 CE LYS A 47 3.612 -11.309 -2.599 1.00 0.00 C +ATOM 700 NZ LYS A 47 3.414 -12.647 -1.974 1.00 0.00 N +ATOM 701 H LYS A 47 4.781 -6.360 -1.909 1.00 0.00 H +ATOM 702 HA LYS A 47 1.902 -6.188 -1.297 1.00 0.00 H +ATOM 703 HB2 LYS A 47 1.784 -8.465 -2.160 1.00 0.00 H +ATOM 704 HB3 LYS A 47 2.754 -7.488 -3.262 1.00 0.00 H +ATOM 705 HG2 LYS A 47 4.381 -9.033 -3.039 1.00 0.00 H +ATOM 706 HG3 LYS A 47 4.592 -8.453 -1.387 1.00 0.00 H +ATOM 707 HD2 LYS A 47 3.919 -10.468 -0.646 1.00 0.00 H +ATOM 708 HD3 LYS A 47 2.328 -10.143 -1.336 1.00 0.00 H +ATOM 709 HE2 LYS A 47 2.909 -11.183 -3.409 1.00 0.00 H +ATOM 710 HE3 LYS A 47 4.619 -11.235 -2.981 1.00 0.00 H +ATOM 711 HZ1 LYS A 47 3.749 -12.623 -0.989 1.00 0.00 H +ATOM 712 HZ2 LYS A 47 2.405 -12.893 -1.992 1.00 0.00 H +ATOM 713 HZ3 LYS A 47 3.952 -13.361 -2.505 1.00 0.00 H +ATOM 714 N LEU A 48 3.775 -6.916 0.967 1.00 0.00 N +ATOM 715 CA LEU A 48 3.953 -7.399 2.355 1.00 0.00 C +ATOM 716 C LEU A 48 3.708 -6.204 3.278 1.00 0.00 C +ATOM 717 O LEU A 48 3.090 -6.319 4.313 1.00 0.00 O +ATOM 718 CB LEU A 48 5.387 -7.925 2.514 1.00 0.00 C +ATOM 719 CG LEU A 48 5.837 -7.808 3.970 1.00 0.00 C +ATOM 720 CD1 LEU A 48 4.904 -8.631 4.860 1.00 0.00 C +ATOM 721 CD2 LEU A 48 7.266 -8.340 4.105 1.00 0.00 C +ATOM 722 H LEU A 48 4.342 -6.197 0.646 1.00 0.00 H +ATOM 723 HA LEU A 48 3.242 -8.184 2.568 1.00 0.00 H +ATOM 724 HB2 LEU A 48 5.423 -8.960 2.211 1.00 0.00 H +ATOM 725 HB3 LEU A 48 6.051 -7.346 1.889 1.00 0.00 H +ATOM 726 HG LEU A 48 5.805 -6.772 4.275 1.00 0.00 H +ATOM 727 HD11 LEU A 48 4.141 -9.095 4.251 1.00 0.00 H +ATOM 728 HD12 LEU A 48 5.473 -9.396 5.368 1.00 0.00 H +ATOM 729 HD13 LEU A 48 4.438 -7.985 5.589 1.00 0.00 H +ATOM 730 HD21 LEU A 48 7.666 -8.552 3.125 1.00 0.00 H +ATOM 731 HD22 LEU A 48 7.881 -7.598 4.592 1.00 0.00 H +ATOM 732 HD23 LEU A 48 7.259 -9.245 4.695 1.00 0.00 H +ATOM 733 N GLY A 49 4.167 -5.046 2.877 1.00 0.00 N +ATOM 734 CA GLY A 49 3.945 -3.821 3.678 1.00 0.00 C +ATOM 735 C GLY A 49 2.585 -3.264 3.287 1.00 0.00 C +ATOM 736 O GLY A 49 1.960 -2.549 4.040 1.00 0.00 O +ATOM 737 H GLY A 49 4.634 -4.980 2.032 1.00 0.00 H +ATOM 738 HA2 GLY A 49 3.959 -4.062 4.732 1.00 0.00 H +ATOM 739 HA3 GLY A 49 4.707 -3.094 3.455 1.00 0.00 H +ATOM 740 N LEU A 50 2.110 -3.626 2.117 1.00 0.00 N +ATOM 741 CA LEU A 50 0.765 -3.163 1.682 1.00 0.00 C +ATOM 742 C LEU A 50 -0.218 -4.262 2.025 1.00 0.00 C +ATOM 743 O LEU A 50 -1.200 -4.042 2.706 1.00 0.00 O +ATOM 744 CB LEU A 50 0.695 -2.899 0.186 1.00 0.00 C +ATOM 745 CG LEU A 50 -0.753 -2.533 -0.159 1.00 0.00 C +ATOM 746 CD1 LEU A 50 -0.782 -1.284 -1.034 1.00 0.00 C +ATOM 747 CD2 LEU A 50 -1.402 -3.695 -0.902 1.00 0.00 C +ATOM 748 H LEU A 50 2.626 -4.228 1.549 1.00 0.00 H +ATOM 749 HA LEU A 50 0.512 -2.275 2.216 1.00 0.00 H +ATOM 750 HB2 LEU A 50 1.350 -2.085 -0.072 1.00 0.00 H +ATOM 751 HB3 LEU A 50 0.980 -3.786 -0.353 1.00 0.00 H +ATOM 752 HG LEU A 50 -1.299 -2.341 0.753 1.00 0.00 H +ATOM 753 HD11 LEU A 50 -0.032 -0.587 -0.691 1.00 0.00 H +ATOM 754 HD12 LEU A 50 -0.588 -1.546 -2.060 1.00 0.00 H +ATOM 755 HD13 LEU A 50 -1.756 -0.823 -0.963 1.00 0.00 H +ATOM 756 HD21 LEU A 50 -0.650 -4.430 -1.148 1.00 0.00 H +ATOM 757 HD22 LEU A 50 -2.156 -4.147 -0.275 1.00 0.00 H +ATOM 758 HD23 LEU A 50 -1.860 -3.330 -1.809 1.00 0.00 H +ATOM 759 N LYS A 51 0.066 -5.468 1.609 1.00 0.00 N +ATOM 760 CA LYS A 51 -0.831 -6.582 1.987 1.00 0.00 C +ATOM 761 C LYS A 51 -0.990 -6.473 3.493 1.00 0.00 C +ATOM 762 O LYS A 51 -1.995 -6.833 4.065 1.00 0.00 O +ATOM 763 CB LYS A 51 -0.184 -7.918 1.631 1.00 0.00 C +ATOM 764 CG LYS A 51 -1.071 -9.059 2.126 1.00 0.00 C +ATOM 765 CD LYS A 51 -0.628 -9.487 3.527 1.00 0.00 C +ATOM 766 CE LYS A 51 -1.434 -10.713 3.964 1.00 0.00 C +ATOM 767 NZ LYS A 51 -1.223 -11.820 2.988 1.00 0.00 N +ATOM 768 H LYS A 51 0.884 -5.638 1.097 1.00 0.00 H +ATOM 769 HA LYS A 51 -1.789 -6.478 1.497 1.00 0.00 H +ATOM 770 HB2 LYS A 51 -0.069 -7.989 0.559 1.00 0.00 H +ATOM 771 HB3 LYS A 51 0.784 -7.987 2.104 1.00 0.00 H +ATOM 772 HG2 LYS A 51 -2.099 -8.730 2.156 1.00 0.00 H +ATOM 773 HG3 LYS A 51 -0.980 -9.894 1.455 1.00 0.00 H +ATOM 774 HD2 LYS A 51 0.424 -9.733 3.513 1.00 0.00 H +ATOM 775 HD3 LYS A 51 -0.801 -8.681 4.223 1.00 0.00 H +ATOM 776 HE2 LYS A 51 -1.106 -11.029 4.943 1.00 0.00 H +ATOM 777 HE3 LYS A 51 -2.483 -10.460 4.000 1.00 0.00 H +ATOM 778 HZ1 LYS A 51 -0.409 -11.598 2.382 1.00 0.00 H +ATOM 779 HZ2 LYS A 51 -1.043 -12.706 3.503 1.00 0.00 H +ATOM 780 HZ3 LYS A 51 -2.072 -11.928 2.398 1.00 0.00 H +ATOM 781 N SER A 52 0.016 -5.927 4.125 1.00 0.00 N +ATOM 782 CA SER A 52 -0.031 -5.722 5.588 1.00 0.00 C +ATOM 783 C SER A 52 -0.567 -4.319 5.866 1.00 0.00 C +ATOM 784 O SER A 52 -1.211 -4.100 6.863 1.00 0.00 O +ATOM 785 CB SER A 52 1.365 -5.864 6.191 1.00 0.00 C +ATOM 786 OG SER A 52 1.814 -7.204 6.026 1.00 0.00 O +ATOM 787 H SER A 52 0.799 -5.631 3.621 1.00 0.00 H +ATOM 788 HA SER A 52 -0.694 -6.450 6.033 1.00 0.00 H +ATOM 789 HB2 SER A 52 2.045 -5.195 5.692 1.00 0.00 H +ATOM 790 HB3 SER A 52 1.327 -5.614 7.243 1.00 0.00 H +ATOM 791 HG SER A 52 1.894 -7.598 6.898 1.00 0.00 H +ATOM 792 N LEU A 53 -0.347 -3.353 5.001 1.00 0.00 N +ATOM 793 CA LEU A 53 -0.924 -2.017 5.312 1.00 0.00 C +ATOM 794 C LEU A 53 -2.427 -2.122 5.098 1.00 0.00 C +ATOM 795 O LEU A 53 -3.200 -2.136 6.035 1.00 0.00 O +ATOM 796 CB LEU A 53 -0.340 -0.931 4.407 1.00 0.00 C +ATOM 797 CG LEU A 53 0.439 0.065 5.263 1.00 0.00 C +ATOM 798 CD1 LEU A 53 -0.482 0.634 6.342 1.00 0.00 C +ATOM 799 CD2 LEU A 53 1.615 -0.653 5.926 1.00 0.00 C +ATOM 800 H LEU A 53 0.159 -3.507 4.159 1.00 0.00 H +ATOM 801 HA LEU A 53 -0.727 -1.774 6.347 1.00 0.00 H +ATOM 802 HB2 LEU A 53 0.319 -1.376 3.686 1.00 0.00 H +ATOM 803 HB3 LEU A 53 -1.140 -0.416 3.897 1.00 0.00 H +ATOM 804 HG LEU A 53 0.805 0.868 4.642 1.00 0.00 H +ATOM 805 HD11 LEU A 53 -1.504 0.370 6.114 1.00 0.00 H +ATOM 806 HD12 LEU A 53 -0.210 0.223 7.302 1.00 0.00 H +ATOM 807 HD13 LEU A 53 -0.385 1.710 6.369 1.00 0.00 H +ATOM 808 HD21 LEU A 53 1.354 -1.686 6.101 1.00 0.00 H +ATOM 809 HD22 LEU A 53 2.478 -0.605 5.279 1.00 0.00 H +ATOM 810 HD23 LEU A 53 1.845 -0.176 6.868 1.00 0.00 H +ATOM 811 N VAL A 54 -2.849 -2.220 3.870 1.00 0.00 N +ATOM 812 CA VAL A 54 -4.303 -2.351 3.597 1.00 0.00 C +ATOM 813 C VAL A 54 -4.945 -3.406 4.509 1.00 0.00 C +ATOM 814 O VAL A 54 -5.961 -3.165 5.130 1.00 0.00 O +ATOM 815 CB VAL A 54 -4.484 -2.777 2.146 1.00 0.00 C +ATOM 816 CG1 VAL A 54 -5.968 -3.013 1.858 1.00 0.00 C +ATOM 817 CG2 VAL A 54 -3.930 -1.688 1.223 1.00 0.00 C +ATOM 818 H VAL A 54 -2.205 -2.212 3.114 1.00 0.00 H +ATOM 819 HA VAL A 54 -4.781 -1.412 3.758 1.00 0.00 H +ATOM 820 HB VAL A 54 -3.940 -3.692 1.984 1.00 0.00 H +ATOM 821 HG11 VAL A 54 -6.536 -2.144 2.148 1.00 0.00 H +ATOM 822 HG12 VAL A 54 -6.107 -3.200 0.805 1.00 0.00 H +ATOM 823 HG13 VAL A 54 -6.310 -3.869 2.421 1.00 0.00 H +ATOM 824 HG21 VAL A 54 -2.888 -1.519 1.452 1.00 0.00 H +ATOM 825 HG22 VAL A 54 -4.024 -2.003 0.195 1.00 0.00 H +ATOM 826 HG23 VAL A 54 -4.480 -0.774 1.371 1.00 0.00 H +ATOM 827 N SER A 55 -4.389 -4.583 4.561 1.00 0.00 N +ATOM 828 CA SER A 55 -5.000 -5.668 5.396 1.00 0.00 C +ATOM 829 C SER A 55 -4.894 -5.370 6.899 1.00 0.00 C +ATOM 830 O SER A 55 -5.894 -5.322 7.587 1.00 0.00 O +ATOM 831 CB SER A 55 -4.302 -6.994 5.102 1.00 0.00 C +ATOM 832 OG SER A 55 -5.151 -8.067 5.489 1.00 0.00 O +ATOM 833 H SER A 55 -3.588 -4.766 4.026 1.00 0.00 H +ATOM 834 HA SER A 55 -6.043 -5.761 5.134 1.00 0.00 H +ATOM 835 HB2 SER A 55 -4.096 -7.068 4.047 1.00 0.00 H +ATOM 836 HB3 SER A 55 -3.372 -7.040 5.652 1.00 0.00 H +ATOM 837 HG SER A 55 -4.938 -8.301 6.395 1.00 0.00 H +ATOM 838 N LYS A 56 -3.700 -5.206 7.419 1.00 0.00 N +ATOM 839 CA LYS A 56 -3.542 -4.948 8.889 1.00 0.00 C +ATOM 840 C LYS A 56 -4.691 -4.086 9.397 1.00 0.00 C +ATOM 841 O LYS A 56 -5.228 -4.313 10.463 1.00 0.00 O +ATOM 842 CB LYS A 56 -2.225 -4.222 9.162 1.00 0.00 C +ATOM 843 CG LYS A 56 -2.165 -3.820 10.637 1.00 0.00 C +ATOM 844 CD LYS A 56 -0.856 -4.320 11.250 1.00 0.00 C +ATOM 845 CE LYS A 56 -1.071 -5.709 11.854 1.00 0.00 C +ATOM 846 NZ LYS A 56 -1.788 -5.580 13.155 1.00 0.00 N +ATOM 847 H LYS A 56 -2.909 -5.273 6.849 1.00 0.00 H +ATOM 848 HA LYS A 56 -3.545 -5.890 9.418 1.00 0.00 H +ATOM 849 HB2 LYS A 56 -1.398 -4.876 8.930 1.00 0.00 H +ATOM 850 HB3 LYS A 56 -2.169 -3.335 8.549 1.00 0.00 H +ATOM 851 HG2 LYS A 56 -2.214 -2.743 10.718 1.00 0.00 H +ATOM 852 HG3 LYS A 56 -2.998 -4.259 11.164 1.00 0.00 H +ATOM 853 HD2 LYS A 56 -0.097 -4.374 10.483 1.00 0.00 H +ATOM 854 HD3 LYS A 56 -0.538 -3.638 12.025 1.00 0.00 H +ATOM 855 HE2 LYS A 56 -1.661 -6.308 11.176 1.00 0.00 H +ATOM 856 HE3 LYS A 56 -0.115 -6.184 12.015 1.00 0.00 H +ATOM 857 HZ1 LYS A 56 -1.554 -4.666 13.591 1.00 0.00 H +ATOM 858 HZ2 LYS A 56 -2.814 -5.634 12.991 1.00 0.00 H +ATOM 859 HZ3 LYS A 56 -1.496 -6.350 13.789 1.00 0.00 H +ATOM 860 N GLY A 57 -5.079 -3.102 8.642 1.00 0.00 N +ATOM 861 CA GLY A 57 -6.202 -2.236 9.090 1.00 0.00 C +ATOM 862 C GLY A 57 -5.873 -0.770 8.836 1.00 0.00 C +ATOM 863 O GLY A 57 -6.738 0.081 8.880 1.00 0.00 O +ATOM 864 H GLY A 57 -4.635 -2.939 7.781 1.00 0.00 H +ATOM 865 HA2 GLY A 57 -7.099 -2.502 8.552 1.00 0.00 H +ATOM 866 HA3 GLY A 57 -6.360 -2.380 10.142 1.00 0.00 H +ATOM 867 N THR A 58 -4.641 -0.458 8.548 1.00 0.00 N +ATOM 868 CA THR A 58 -4.309 0.960 8.274 1.00 0.00 C +ATOM 869 C THR A 58 -5.111 1.357 7.051 1.00 0.00 C +ATOM 870 O THR A 58 -6.095 2.047 7.131 1.00 0.00 O +ATOM 871 CB THR A 58 -2.813 1.110 7.978 1.00 0.00 C +ATOM 872 OG1 THR A 58 -2.174 -0.152 8.106 1.00 0.00 O +ATOM 873 CG2 THR A 58 -2.190 2.101 8.964 1.00 0.00 C +ATOM 874 H THR A 58 -3.953 -1.150 8.486 1.00 0.00 H +ATOM 875 HA THR A 58 -4.584 1.578 9.116 1.00 0.00 H +ATOM 876 HB THR A 58 -2.683 1.481 6.974 1.00 0.00 H +ATOM 877 HG1 THR A 58 -2.034 -0.320 9.041 1.00 0.00 H +ATOM 878 HG21 THR A 58 -2.921 2.373 9.711 1.00 0.00 H +ATOM 879 HG22 THR A 58 -1.337 1.644 9.443 1.00 0.00 H +ATOM 880 HG23 THR A 58 -1.873 2.986 8.432 1.00 0.00 H +ATOM 881 N LEU A 59 -4.697 0.879 5.925 1.00 0.00 N +ATOM 882 CA LEU A 59 -5.404 1.163 4.653 1.00 0.00 C +ATOM 883 C LEU A 59 -6.576 0.185 4.485 1.00 0.00 C +ATOM 884 O LEU A 59 -6.597 -0.620 3.580 1.00 0.00 O +ATOM 885 CB LEU A 59 -4.403 0.950 3.532 1.00 0.00 C +ATOM 886 CG LEU A 59 -4.421 2.138 2.594 1.00 0.00 C +ATOM 887 CD1 LEU A 59 -3.613 3.278 3.204 1.00 0.00 C +ATOM 888 CD2 LEU A 59 -3.816 1.733 1.255 1.00 0.00 C +ATOM 889 H LEU A 59 -3.909 0.307 5.915 1.00 0.00 H +ATOM 890 HA LEU A 59 -5.760 2.175 4.641 1.00 0.00 H +ATOM 891 HB2 LEU A 59 -3.414 0.839 3.952 1.00 0.00 H +ATOM 892 HB3 LEU A 59 -4.661 0.064 2.991 1.00 0.00 H +ATOM 893 HG LEU A 59 -5.433 2.454 2.449 1.00 0.00 H +ATOM 894 HD11 LEU A 59 -2.780 2.869 3.755 1.00 0.00 H +ATOM 895 HD12 LEU A 59 -3.244 3.921 2.418 1.00 0.00 H +ATOM 896 HD13 LEU A 59 -4.241 3.849 3.872 1.00 0.00 H +ATOM 897 HD21 LEU A 59 -2.942 1.121 1.424 1.00 0.00 H +ATOM 898 HD22 LEU A 59 -4.543 1.171 0.687 1.00 0.00 H +ATOM 899 HD23 LEU A 59 -3.535 2.618 0.705 1.00 0.00 H +ATOM 900 N VAL A 60 -7.539 0.229 5.361 1.00 0.00 N +ATOM 901 CA VAL A 60 -8.681 -0.734 5.262 1.00 0.00 C +ATOM 902 C VAL A 60 -9.459 -0.580 3.951 1.00 0.00 C +ATOM 903 O VAL A 60 -10.461 0.103 3.878 1.00 0.00 O +ATOM 904 CB VAL A 60 -9.637 -0.569 6.445 1.00 0.00 C +ATOM 905 CG1 VAL A 60 -9.147 -1.441 7.596 1.00 0.00 C +ATOM 906 CG2 VAL A 60 -9.687 0.892 6.900 1.00 0.00 C +ATOM 907 H VAL A 60 -7.498 0.874 6.093 1.00 0.00 H +ATOM 908 HA VAL A 60 -8.276 -1.735 5.294 1.00 0.00 H +ATOM 909 HB VAL A 60 -10.625 -0.891 6.147 1.00 0.00 H +ATOM 910 HG11 VAL A 60 -8.496 -2.212 7.212 1.00 0.00 H +ATOM 911 HG12 VAL A 60 -8.604 -0.831 8.303 1.00 0.00 H +ATOM 912 HG13 VAL A 60 -9.993 -1.896 8.089 1.00 0.00 H +ATOM 913 HG21 VAL A 60 -9.753 1.536 6.036 1.00 0.00 H +ATOM 914 HG22 VAL A 60 -10.552 1.043 7.529 1.00 0.00 H +ATOM 915 HG23 VAL A 60 -8.792 1.126 7.457 1.00 0.00 H +ATOM 916 N GLN A 61 -9.004 -1.246 2.928 1.00 0.00 N +ATOM 917 CA GLN A 61 -9.679 -1.213 1.610 1.00 0.00 C +ATOM 918 C GLN A 61 -11.186 -1.446 1.782 1.00 0.00 C +ATOM 919 O GLN A 61 -11.910 -0.554 2.173 1.00 0.00 O +ATOM 920 CB GLN A 61 -9.050 -2.309 0.719 1.00 0.00 C +ATOM 921 CG GLN A 61 -9.856 -2.504 -0.575 1.00 0.00 C +ATOM 922 CD GLN A 61 -8.903 -2.913 -1.693 1.00 0.00 C +ATOM 923 OE1 GLN A 61 -9.009 -2.439 -2.806 1.00 0.00 O +ATOM 924 NE2 GLN A 61 -7.967 -3.785 -1.438 1.00 0.00 N +ATOM 925 H GLN A 61 -8.211 -1.783 3.029 1.00 0.00 H +ATOM 926 HA GLN A 61 -9.524 -0.255 1.159 1.00 0.00 H +ATOM 927 HB2 GLN A 61 -8.043 -2.016 0.463 1.00 0.00 H +ATOM 928 HB3 GLN A 61 -9.015 -3.239 1.258 1.00 0.00 H +ATOM 929 HG2 GLN A 61 -10.593 -3.278 -0.439 1.00 0.00 H +ATOM 930 HG3 GLN A 61 -10.343 -1.584 -0.838 1.00 0.00 H +ATOM 931 HE21 GLN A 61 -7.884 -4.165 -0.538 1.00 0.00 H +ATOM 932 HE22 GLN A 61 -7.353 -4.064 -2.144 1.00 0.00 H +ATOM 933 N THR A 62 -11.652 -2.634 1.486 1.00 0.00 N +ATOM 934 CA THR A 62 -13.107 -2.961 1.596 1.00 0.00 C +ATOM 935 C THR A 62 -13.426 -4.092 0.612 1.00 0.00 C +ATOM 936 O THR A 62 -14.419 -4.047 -0.085 1.00 0.00 O +ATOM 937 CB THR A 62 -13.983 -1.744 1.253 1.00 0.00 C +ATOM 938 OG1 THR A 62 -13.275 -0.850 0.407 1.00 0.00 O +ATOM 939 CG2 THR A 62 -14.390 -1.022 2.540 1.00 0.00 C +ATOM 940 H THR A 62 -11.038 -3.324 1.187 1.00 0.00 H +ATOM 941 HA THR A 62 -13.325 -3.290 2.594 1.00 0.00 H +ATOM 942 HB THR A 62 -14.874 -2.081 0.746 1.00 0.00 H +ATOM 943 HG1 THR A 62 -12.565 -1.338 -0.010 1.00 0.00 H +ATOM 944 HG21 THR A 62 -13.688 -1.262 3.325 1.00 0.00 H +ATOM 945 HG22 THR A 62 -14.391 0.044 2.370 1.00 0.00 H +ATOM 946 HG23 THR A 62 -15.380 -1.340 2.833 1.00 0.00 H +ATOM 947 N LYS A 63 -12.569 -5.090 0.550 1.00 0.00 N +ATOM 948 CA LYS A 63 -12.766 -6.247 -0.385 1.00 0.00 C +ATOM 949 C LYS A 63 -14.242 -6.412 -0.761 1.00 0.00 C +ATOM 950 O LYS A 63 -14.981 -7.131 -0.118 1.00 0.00 O +ATOM 951 CB LYS A 63 -12.278 -7.532 0.296 1.00 0.00 C +ATOM 952 CG LYS A 63 -10.751 -7.511 0.396 1.00 0.00 C +ATOM 953 CD LYS A 63 -10.243 -8.909 0.754 1.00 0.00 C +ATOM 954 CE LYS A 63 -8.890 -8.797 1.458 1.00 0.00 C +ATOM 955 NZ LYS A 63 -8.860 -9.718 2.629 1.00 0.00 N +ATOM 956 H LYS A 63 -11.774 -5.072 1.120 1.00 0.00 H +ATOM 957 HA LYS A 63 -12.188 -6.082 -1.281 1.00 0.00 H +ATOM 958 HB2 LYS A 63 -12.703 -7.598 1.287 1.00 0.00 H +ATOM 959 HB3 LYS A 63 -12.586 -8.386 -0.287 1.00 0.00 H +ATOM 960 HG2 LYS A 63 -10.333 -7.206 -0.552 1.00 0.00 H +ATOM 961 HG3 LYS A 63 -10.450 -6.813 1.163 1.00 0.00 H +ATOM 962 HD2 LYS A 63 -10.952 -9.392 1.411 1.00 0.00 H +ATOM 963 HD3 LYS A 63 -10.131 -9.493 -0.147 1.00 0.00 H +ATOM 964 HE2 LYS A 63 -8.102 -9.065 0.769 1.00 0.00 H +ATOM 965 HE3 LYS A 63 -8.743 -7.781 1.795 1.00 0.00 H +ATOM 966 HZ1 LYS A 63 -9.763 -9.658 3.141 1.00 0.00 H +ATOM 967 HZ2 LYS A 63 -8.716 -10.694 2.299 1.00 0.00 H +ATOM 968 HZ3 LYS A 63 -8.081 -9.447 3.263 1.00 0.00 H +ATOM 969 N GLY A 64 -14.672 -5.757 -1.808 1.00 0.00 N +ATOM 970 CA GLY A 64 -16.093 -5.880 -2.237 1.00 0.00 C +ATOM 971 C GLY A 64 -16.138 -6.157 -3.740 1.00 0.00 C +ATOM 972 O GLY A 64 -17.128 -5.913 -4.399 1.00 0.00 O +ATOM 973 H GLY A 64 -14.057 -5.187 -2.317 1.00 0.00 H +ATOM 974 HA2 GLY A 64 -16.563 -6.694 -1.702 1.00 0.00 H +ATOM 975 HA3 GLY A 64 -16.615 -4.959 -2.027 1.00 0.00 H +ATOM 976 N THR A 65 -15.064 -6.661 -4.286 1.00 0.00 N +ATOM 977 CA THR A 65 -15.027 -6.954 -5.747 1.00 0.00 C +ATOM 978 C THR A 65 -14.874 -5.638 -6.521 1.00 0.00 C +ATOM 979 O THR A 65 -15.338 -4.600 -6.093 1.00 0.00 O +ATOM 980 CB THR A 65 -16.319 -7.698 -6.154 1.00 0.00 C +ATOM 981 OG1 THR A 65 -15.979 -8.792 -6.994 1.00 0.00 O +ATOM 982 CG2 THR A 65 -17.288 -6.770 -6.902 1.00 0.00 C +ATOM 983 H THR A 65 -14.276 -6.845 -3.732 1.00 0.00 H +ATOM 984 HA THR A 65 -14.175 -7.585 -5.957 1.00 0.00 H +ATOM 985 HB THR A 65 -16.806 -8.072 -5.266 1.00 0.00 H +ATOM 986 HG1 THR A 65 -15.796 -9.550 -6.434 1.00 0.00 H +ATOM 987 HG21 THR A 65 -17.225 -5.774 -6.489 1.00 0.00 H +ATOM 988 HG22 THR A 65 -17.022 -6.742 -7.949 1.00 0.00 H +ATOM 989 HG23 THR A 65 -18.296 -7.141 -6.797 1.00 0.00 H +ATOM 990 N GLY A 66 -14.227 -5.674 -7.653 1.00 0.00 N +ATOM 991 CA GLY A 66 -14.046 -4.425 -8.447 1.00 0.00 C +ATOM 992 C GLY A 66 -15.362 -3.647 -8.483 1.00 0.00 C +ATOM 993 O GLY A 66 -16.219 -3.897 -9.307 1.00 0.00 O +ATOM 994 H GLY A 66 -13.859 -6.521 -7.981 1.00 0.00 H +ATOM 995 HA2 GLY A 66 -13.278 -3.817 -7.989 1.00 0.00 H +ATOM 996 HA3 GLY A 66 -13.753 -4.677 -9.455 1.00 0.00 H +ATOM 997 N ALA A 67 -15.530 -2.704 -7.597 1.00 0.00 N +ATOM 998 CA ALA A 67 -16.793 -1.913 -7.583 1.00 0.00 C +ATOM 999 C ALA A 67 -16.920 -1.174 -6.249 1.00 0.00 C +ATOM 1000 O ALA A 67 -17.351 -0.039 -6.197 1.00 0.00 O +ATOM 1001 CB ALA A 67 -17.986 -2.854 -7.758 1.00 0.00 C +ATOM 1002 H ALA A 67 -14.827 -2.516 -6.940 1.00 0.00 H +ATOM 1003 HA ALA A 67 -16.778 -1.197 -8.392 1.00 0.00 H +ATOM 1004 HB1 ALA A 67 -17.648 -3.878 -7.698 1.00 0.00 H +ATOM 1005 HB2 ALA A 67 -18.709 -2.668 -6.977 1.00 0.00 H +ATOM 1006 HB3 ALA A 67 -18.443 -2.681 -8.720 1.00 0.00 H +ATOM 1007 N SER A 68 -16.549 -1.807 -5.169 1.00 0.00 N +ATOM 1008 CA SER A 68 -16.652 -1.138 -3.842 1.00 0.00 C +ATOM 1009 C SER A 68 -15.560 -1.669 -2.911 1.00 0.00 C +ATOM 1010 O SER A 68 -15.837 -2.216 -1.862 1.00 0.00 O +ATOM 1011 CB SER A 68 -18.024 -1.425 -3.231 1.00 0.00 C +ATOM 1012 OG SER A 68 -18.950 -0.444 -3.677 1.00 0.00 O +ATOM 1013 H SER A 68 -16.205 -2.723 -5.232 1.00 0.00 H +ATOM 1014 HA SER A 68 -16.530 -0.072 -3.967 1.00 0.00 H +ATOM 1015 HB2 SER A 68 -18.362 -2.399 -3.542 1.00 0.00 H +ATOM 1016 HB3 SER A 68 -17.948 -1.400 -2.151 1.00 0.00 H +ATOM 1017 HG SER A 68 -19.016 -0.510 -4.632 1.00 0.00 H +ATOM 1018 N GLY A 69 -14.319 -1.509 -3.283 1.00 0.00 N +ATOM 1019 CA GLY A 69 -13.212 -2.003 -2.415 1.00 0.00 C +ATOM 1020 C GLY A 69 -11.926 -1.232 -2.744 1.00 0.00 C +ATOM 1021 O GLY A 69 -11.251 -1.529 -3.710 1.00 0.00 O +ATOM 1022 H GLY A 69 -14.115 -1.063 -4.131 1.00 0.00 H +ATOM 1023 HA2 GLY A 69 -13.480 -1.855 -1.385 1.00 0.00 H +ATOM 1024 HA3 GLY A 69 -13.054 -3.055 -2.598 1.00 0.00 H +ATOM 1025 N SER A 70 -11.578 -0.243 -1.958 1.00 0.00 N +ATOM 1026 CA SER A 70 -10.332 0.536 -2.248 1.00 0.00 C +ATOM 1027 C SER A 70 -9.458 0.637 -0.984 1.00 0.00 C +ATOM 1028 O SER A 70 -8.748 -0.275 -0.670 1.00 0.00 O +ATOM 1029 CB SER A 70 -10.712 1.935 -2.734 1.00 0.00 C +ATOM 1030 OG SER A 70 -11.393 1.831 -3.977 1.00 0.00 O +ATOM 1031 H SER A 70 -12.132 -0.014 -1.184 1.00 0.00 H +ATOM 1032 HA SER A 70 -9.774 0.030 -3.022 1.00 0.00 H +ATOM 1033 HB2 SER A 70 -11.359 2.406 -2.013 1.00 0.00 H +ATOM 1034 HB3 SER A 70 -9.815 2.530 -2.851 1.00 0.00 H +ATOM 1035 HG SER A 70 -10.755 1.980 -4.679 1.00 0.00 H +ATOM 1036 N PHE A 71 -9.535 1.744 -0.274 1.00 0.00 N +ATOM 1037 CA PHE A 71 -8.763 1.999 1.000 1.00 0.00 C +ATOM 1038 C PHE A 71 -9.079 3.436 1.415 1.00 0.00 C +ATOM 1039 O PHE A 71 -8.726 4.376 0.731 1.00 0.00 O +ATOM 1040 CB PHE A 71 -7.217 1.892 0.870 1.00 0.00 C +ATOM 1041 CG PHE A 71 -6.795 0.963 -0.224 1.00 0.00 C +ATOM 1042 CD1 PHE A 71 -6.847 1.369 -1.555 1.00 0.00 C +ATOM 1043 CD2 PHE A 71 -6.359 -0.324 0.104 1.00 0.00 C +ATOM 1044 CE1 PHE A 71 -6.465 0.484 -2.561 1.00 0.00 C +ATOM 1045 CE2 PHE A 71 -5.980 -1.210 -0.904 1.00 0.00 C +ATOM 1046 CZ PHE A 71 -6.032 -0.807 -2.235 1.00 0.00 C +ATOM 1047 H PHE A 71 -10.140 2.432 -0.569 1.00 0.00 H +ATOM 1048 HA PHE A 71 -9.111 1.331 1.774 1.00 0.00 H +ATOM 1049 HB2 PHE A 71 -6.806 2.868 0.680 1.00 0.00 H +ATOM 1050 HB3 PHE A 71 -6.814 1.522 1.803 1.00 0.00 H +ATOM 1051 HD1 PHE A 71 -7.181 2.365 -1.806 1.00 0.00 H +ATOM 1052 HD2 PHE A 71 -6.322 -0.632 1.137 1.00 0.00 H +ATOM 1053 HE1 PHE A 71 -6.509 0.793 -3.584 1.00 0.00 H +ATOM 1054 HE2 PHE A 71 -5.645 -2.204 -0.655 1.00 0.00 H +ATOM 1055 HZ PHE A 71 -5.743 -1.492 -3.011 1.00 0.00 H +ATOM 1056 N ARG A 72 -9.703 3.625 2.540 1.00 0.00 N +ATOM 1057 CA ARG A 72 -9.992 5.007 3.005 1.00 0.00 C +ATOM 1058 C ARG A 72 -9.046 5.257 4.161 1.00 0.00 C +ATOM 1059 O ARG A 72 -9.270 6.083 5.025 1.00 0.00 O +ATOM 1060 CB ARG A 72 -11.445 5.114 3.477 1.00 0.00 C +ATOM 1061 CG ARG A 72 -12.322 5.593 2.319 1.00 0.00 C +ATOM 1062 CD ARG A 72 -12.781 4.389 1.494 1.00 0.00 C +ATOM 1063 NE ARG A 72 -13.950 3.748 2.157 1.00 0.00 N +ATOM 1064 CZ ARG A 72 -13.764 2.869 3.103 1.00 0.00 C +ATOM 1065 NH1 ARG A 72 -12.945 1.870 2.915 1.00 0.00 N +ATOM 1066 NH2 ARG A 72 -14.396 2.988 4.238 1.00 0.00 N +ATOM 1067 H ARG A 72 -9.940 2.861 3.105 1.00 0.00 H +ATOM 1068 HA ARG A 72 -9.801 5.714 2.210 1.00 0.00 H +ATOM 1069 HB2 ARG A 72 -11.786 4.146 3.814 1.00 0.00 H +ATOM 1070 HB3 ARG A 72 -11.508 5.822 4.291 1.00 0.00 H +ATOM 1071 HG2 ARG A 72 -13.185 6.111 2.712 1.00 0.00 H +ATOM 1072 HG3 ARG A 72 -11.755 6.263 1.691 1.00 0.00 H +ATOM 1073 HD2 ARG A 72 -13.063 4.718 0.505 1.00 0.00 H +ATOM 1074 HD3 ARG A 72 -11.973 3.676 1.418 1.00 0.00 H +ATOM 1075 HE ARG A 72 -14.861 3.985 1.881 1.00 0.00 H +ATOM 1076 HH11 ARG A 72 -12.460 1.778 2.045 1.00 0.00 H +ATOM 1077 HH12 ARG A 72 -12.803 1.197 3.640 1.00 0.00 H +ATOM 1078 HH21 ARG A 72 -15.024 3.753 4.383 1.00 0.00 H +ATOM 1079 HH22 ARG A 72 -14.253 2.315 4.963 1.00 0.00 H +ATOM 1080 N LEU A 73 -8.000 4.488 4.181 1.00 0.00 N +ATOM 1081 CA LEU A 73 -7.008 4.564 5.256 1.00 0.00 C +ATOM 1082 C LEU A 73 -7.608 3.923 6.500 1.00 0.00 C +ATOM 1083 O LEU A 73 -8.149 2.842 6.429 1.00 0.00 O +ATOM 1084 CB LEU A 73 -6.567 6.002 5.543 1.00 0.00 C +ATOM 1085 CG LEU A 73 -5.284 6.002 6.415 1.00 0.00 C +ATOM 1086 CD1 LEU A 73 -4.751 4.577 6.649 1.00 0.00 C +ATOM 1087 CD2 LEU A 73 -4.193 6.812 5.722 1.00 0.00 C +ATOM 1088 H LEU A 73 -7.882 3.813 3.480 1.00 0.00 H +ATOM 1089 HA LEU A 73 -6.154 3.992 4.949 1.00 0.00 H +ATOM 1090 HB2 LEU A 73 -6.367 6.508 4.609 1.00 0.00 H +ATOM 1091 HB3 LEU A 73 -7.354 6.519 6.069 1.00 0.00 H +ATOM 1092 HG LEU A 73 -5.507 6.456 7.369 1.00 0.00 H +ATOM 1093 HD11 LEU A 73 -4.581 4.090 5.703 1.00 0.00 H +ATOM 1094 HD12 LEU A 73 -3.817 4.635 7.189 1.00 0.00 H +ATOM 1095 HD13 LEU A 73 -5.456 4.014 7.229 1.00 0.00 H +ATOM 1096 HD21 LEU A 73 -4.096 6.484 4.699 1.00 0.00 H +ATOM 1097 HD22 LEU A 73 -4.458 7.859 5.739 1.00 0.00 H +ATOM 1098 HD23 LEU A 73 -3.256 6.671 6.238 1.00 0.00 H +ATOM 1099 N SER A 74 -7.507 4.539 7.642 1.00 0.00 N +ATOM 1100 CA SER A 74 -8.060 3.893 8.853 1.00 0.00 C +ATOM 1101 C SER A 74 -9.587 3.936 8.818 1.00 0.00 C +ATOM 1102 O SER A 74 -10.192 4.294 7.827 1.00 0.00 O +ATOM 1103 CB SER A 74 -7.556 4.619 10.101 1.00 0.00 C +ATOM 1104 OG SER A 74 -6.154 4.416 10.229 1.00 0.00 O +ATOM 1105 H SER A 74 -7.057 5.402 7.709 1.00 0.00 H +ATOM 1106 HA SER A 74 -7.728 2.863 8.877 1.00 0.00 H +ATOM 1107 HB2 SER A 74 -7.754 5.674 10.011 1.00 0.00 H +ATOM 1108 HB3 SER A 74 -8.067 4.231 10.972 1.00 0.00 H +ATOM 1109 HG SER A 74 -5.958 3.515 9.960 1.00 0.00 H +ATOM 1110 N LYS A 75 -10.210 3.569 9.901 1.00 0.00 N +ATOM 1111 CA LYS A 75 -11.701 3.578 9.954 1.00 0.00 C +ATOM 1112 C LYS A 75 -12.192 4.976 10.336 1.00 0.00 C +ATOM 1113 O LYS A 75 -11.456 5.678 11.009 1.00 0.00 O +ATOM 1114 CB LYS A 75 -12.184 2.568 10.999 1.00 0.00 C +ATOM 1115 CG LYS A 75 -11.735 3.017 12.392 1.00 0.00 C +ATOM 1116 CD LYS A 75 -12.909 2.912 13.369 1.00 0.00 C +ATOM 1117 CE LYS A 75 -12.390 3.011 14.805 1.00 0.00 C +ATOM 1118 NZ LYS A 75 -11.997 4.418 15.098 1.00 0.00 N +ATOM 1119 OXT LYS A 75 -13.298 5.318 9.951 1.00 0.00 O +ATOM 1120 H LYS A 75 -9.691 3.285 10.681 1.00 0.00 H +ATOM 1121 HA LYS A 75 -12.097 3.310 8.985 1.00 0.00 H +ATOM 1122 HB2 LYS A 75 -13.263 2.509 10.969 1.00 0.00 H +ATOM 1123 HB3 LYS A 75 -11.764 1.597 10.783 1.00 0.00 H +ATOM 1124 HG2 LYS A 75 -10.927 2.384 12.730 1.00 0.00 H +ATOM 1125 HG3 LYS A 75 -11.396 4.041 12.349 1.00 0.00 H +ATOM 1126 HD2 LYS A 75 -13.606 3.716 13.181 1.00 0.00 H +ATOM 1127 HD3 LYS A 75 -13.407 1.964 13.233 1.00 0.00 H +ATOM 1128 HE2 LYS A 75 -13.166 2.704 15.491 1.00 0.00 H +ATOM 1129 HE3 LYS A 75 -11.531 2.366 14.922 1.00 0.00 H +ATOM 1130 HZ1 LYS A 75 -12.183 5.011 14.264 1.00 0.00 H +ATOM 1131 HZ2 LYS A 75 -12.550 4.771 15.906 1.00 0.00 H +ATOM 1132 HZ3 LYS A 75 -10.984 4.456 15.327 1.00 0.00 H +TER 1133 LYS A 75 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_HMGB1_1AABA_1AABA/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_HMGB1_1AABA_1AABA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..57d9aa2704c6653894c68c949f38aebe6f3244d7 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_HMGB1_1AABA_1AABA/state_a.pdb @@ -0,0 +1,1361 @@ +MODEL 1 +ATOM 1 N GLY A 1 -1.007 -18.840 10.481 1.00 0.00 N +ATOM 2 CA GLY A 1 -2.390 -19.381 10.615 1.00 0.00 C +ATOM 3 C GLY A 1 -3.380 -18.236 10.836 1.00 0.00 C +ATOM 4 O GLY A 1 -4.035 -18.173 11.858 1.00 0.00 O +ATOM 5 H1 GLY A 1 -0.872 -18.062 11.158 1.00 0.00 H +ATOM 6 H2 GLY A 1 -0.319 -19.594 10.678 1.00 0.00 H +ATOM 7 H3 GLY A 1 -0.865 -18.485 9.514 1.00 0.00 H +ATOM 8 HA2 GLY A 1 -2.655 -19.916 9.715 1.00 0.00 H +ATOM 9 HA3 GLY A 1 -2.431 -20.056 11.457 1.00 0.00 H +ATOM 10 N LYS A 2 -3.463 -17.350 9.859 1.00 0.00 N +ATOM 11 CA LYS A 2 -4.401 -16.184 9.963 1.00 0.00 C +ATOM 12 C LYS A 2 -4.918 -15.792 8.583 1.00 0.00 C +ATOM 13 O LYS A 2 -4.780 -14.660 8.166 1.00 0.00 O +ATOM 14 CB LYS A 2 -3.634 -14.979 10.545 1.00 0.00 C +ATOM 15 CG LYS A 2 -3.039 -15.352 11.904 1.00 0.00 C +ATOM 16 CD LYS A 2 -2.449 -14.095 12.553 1.00 0.00 C +ATOM 17 CE LYS A 2 -1.544 -14.504 13.715 1.00 0.00 C +ATOM 18 NZ LYS A 2 -2.312 -15.291 14.722 1.00 0.00 N +ATOM 19 H LYS A 2 -2.905 -17.454 9.062 1.00 0.00 H +ATOM 20 HA LYS A 2 -5.251 -16.447 10.594 1.00 0.00 H +ATOM 21 HB2 LYS A 2 -2.841 -14.696 9.867 1.00 0.00 H +ATOM 22 HB3 LYS A 2 -4.310 -14.144 10.664 1.00 0.00 H +ATOM 23 HG2 LYS A 2 -3.811 -15.759 12.541 1.00 0.00 H +ATOM 24 HG3 LYS A 2 -2.260 -16.089 11.772 1.00 0.00 H +ATOM 25 HD2 LYS A 2 -1.874 -13.543 11.823 1.00 0.00 H +ATOM 26 HD3 LYS A 2 -3.248 -13.467 12.921 1.00 0.00 H +ATOM 27 HE2 LYS A 2 -0.729 -15.107 13.342 1.00 0.00 H +ATOM 28 HE3 LYS A 2 -1.141 -13.621 14.189 1.00 0.00 H +ATOM 29 HZ1 LYS A 2 -3.070 -15.818 14.243 1.00 0.00 H +ATOM 30 HZ2 LYS A 2 -1.674 -15.957 15.201 1.00 0.00 H +ATOM 31 HZ3 LYS A 2 -2.728 -14.643 15.422 1.00 0.00 H +ATOM 32 N GLY A 3 -5.502 -16.738 7.899 1.00 0.00 N +ATOM 33 CA GLY A 3 -6.038 -16.442 6.538 1.00 0.00 C +ATOM 34 C GLY A 3 -7.061 -17.503 6.137 1.00 0.00 C +ATOM 35 O GLY A 3 -6.747 -18.433 5.423 1.00 0.00 O +ATOM 36 H GLY A 3 -5.589 -17.638 8.279 1.00 0.00 H +ATOM 37 HA2 GLY A 3 -6.513 -15.471 6.540 1.00 0.00 H +ATOM 38 HA3 GLY A 3 -5.226 -16.441 5.827 1.00 0.00 H +ATOM 39 N ASP A 4 -8.266 -17.339 6.606 1.00 0.00 N +ATOM 40 CA ASP A 4 -9.318 -18.324 6.267 1.00 0.00 C +ATOM 41 C ASP A 4 -9.710 -18.204 4.769 1.00 0.00 C +ATOM 42 O ASP A 4 -9.502 -17.175 4.159 1.00 0.00 O +ATOM 43 CB ASP A 4 -10.551 -18.007 7.156 1.00 0.00 C +ATOM 44 CG ASP A 4 -10.484 -18.830 8.449 1.00 0.00 C +ATOM 45 OD1 ASP A 4 -10.690 -20.027 8.340 1.00 0.00 O +ATOM 46 OD2 ASP A 4 -10.233 -18.212 9.470 1.00 0.00 O +ATOM 47 H ASP A 4 -8.474 -16.569 7.177 1.00 0.00 H +ATOM 48 HA ASP A 4 -8.928 -19.315 6.468 1.00 0.00 H +ATOM 49 HB2 ASP A 4 -10.543 -16.965 7.409 1.00 0.00 H +ATOM 50 HB3 ASP A 4 -11.469 -18.239 6.632 1.00 0.00 H +ATOM 51 N PRO A 5 -10.273 -19.278 4.203 1.00 0.00 N +ATOM 52 CA PRO A 5 -10.681 -19.272 2.794 1.00 0.00 C +ATOM 53 C PRO A 5 -11.620 -18.096 2.454 1.00 0.00 C +ATOM 54 O PRO A 5 -12.626 -17.892 3.102 1.00 0.00 O +ATOM 55 CB PRO A 5 -11.422 -20.636 2.583 1.00 0.00 C +ATOM 56 CG PRO A 5 -11.344 -21.420 3.937 1.00 0.00 C +ATOM 57 CD PRO A 5 -10.518 -20.552 4.919 1.00 0.00 C +ATOM 58 HA PRO A 5 -9.796 -19.214 2.170 1.00 0.00 H +ATOM 59 HB2 PRO A 5 -12.460 -20.472 2.310 1.00 0.00 H +ATOM 60 HB3 PRO A 5 -10.933 -21.203 1.799 1.00 0.00 H +ATOM 61 HG2 PRO A 5 -12.341 -21.581 4.333 1.00 0.00 H +ATOM 62 HG3 PRO A 5 -10.860 -22.379 3.788 1.00 0.00 H +ATOM 63 HD2 PRO A 5 -11.066 -20.371 5.829 1.00 0.00 H +ATOM 64 HD3 PRO A 5 -9.576 -21.036 5.141 1.00 0.00 H +ATOM 65 N LYS A 6 -11.243 -17.364 1.428 1.00 0.00 N +ATOM 66 CA LYS A 6 -12.049 -16.186 0.966 1.00 0.00 C +ATOM 67 C LYS A 6 -12.351 -15.177 2.075 1.00 0.00 C +ATOM 68 O LYS A 6 -12.970 -14.163 1.817 1.00 0.00 O +ATOM 69 CB LYS A 6 -13.390 -16.690 0.390 1.00 0.00 C +ATOM 70 CG LYS A 6 -13.122 -17.734 -0.697 1.00 0.00 C +ATOM 71 CD LYS A 6 -14.442 -18.420 -1.071 1.00 0.00 C +ATOM 72 CE LYS A 6 -15.406 -17.393 -1.680 1.00 0.00 C +ATOM 73 NZ LYS A 6 -16.455 -18.081 -2.486 1.00 0.00 N +ATOM 74 H LYS A 6 -10.418 -17.593 0.954 1.00 0.00 H +ATOM 75 HA LYS A 6 -11.483 -15.674 0.191 1.00 0.00 H +ATOM 76 HB2 LYS A 6 -13.984 -17.128 1.172 1.00 0.00 H +ATOM 77 HB3 LYS A 6 -13.930 -15.859 -0.038 1.00 0.00 H +ATOM 78 HG2 LYS A 6 -12.704 -17.250 -1.567 1.00 0.00 H +ATOM 79 HG3 LYS A 6 -12.423 -18.471 -0.333 1.00 0.00 H +ATOM 80 HD2 LYS A 6 -14.250 -19.204 -1.788 1.00 0.00 H +ATOM 81 HD3 LYS A 6 -14.887 -18.854 -0.188 1.00 0.00 H +ATOM 82 HE2 LYS A 6 -15.883 -16.829 -0.891 1.00 0.00 H +ATOM 83 HE3 LYS A 6 -14.862 -16.712 -2.320 1.00 0.00 H +ATOM 84 HZ1 LYS A 6 -16.014 -18.826 -3.062 1.00 0.00 H +ATOM 85 HZ2 LYS A 6 -17.158 -18.507 -1.847 1.00 0.00 H +ATOM 86 HZ3 LYS A 6 -16.923 -17.393 -3.107 1.00 0.00 H +ATOM 87 N LYS A 7 -11.924 -15.445 3.281 1.00 0.00 N +ATOM 88 CA LYS A 7 -12.212 -14.473 4.363 1.00 0.00 C +ATOM 89 C LYS A 7 -11.310 -13.221 4.217 1.00 0.00 C +ATOM 90 O LYS A 7 -10.122 -13.363 3.993 1.00 0.00 O +ATOM 91 CB LYS A 7 -11.896 -15.125 5.731 1.00 0.00 C +ATOM 92 CG LYS A 7 -12.393 -14.185 6.855 1.00 0.00 C +ATOM 93 CD LYS A 7 -11.967 -14.727 8.224 1.00 0.00 C +ATOM 94 CE LYS A 7 -12.643 -13.896 9.321 1.00 0.00 C +ATOM 95 NZ LYS A 7 -12.097 -12.508 9.341 1.00 0.00 N +ATOM 96 H LYS A 7 -11.433 -16.265 3.467 1.00 0.00 H +ATOM 97 HA LYS A 7 -13.248 -14.210 4.305 1.00 0.00 H +ATOM 98 HB2 LYS A 7 -12.399 -16.079 5.805 1.00 0.00 H +ATOM 99 HB3 LYS A 7 -10.831 -15.275 5.824 1.00 0.00 H +ATOM 100 HG2 LYS A 7 -11.971 -13.202 6.717 1.00 0.00 H +ATOM 101 HG3 LYS A 7 -13.470 -14.114 6.815 1.00 0.00 H +ATOM 102 HD2 LYS A 7 -12.264 -15.753 8.319 1.00 0.00 H +ATOM 103 HD3 LYS A 7 -10.894 -14.655 8.326 1.00 0.00 H +ATOM 104 HE2 LYS A 7 -13.708 -13.854 9.137 1.00 0.00 H +ATOM 105 HE3 LYS A 7 -12.471 -14.355 10.281 1.00 0.00 H +ATOM 106 HZ1 LYS A 7 -11.061 -12.542 9.262 1.00 0.00 H +ATOM 107 HZ2 LYS A 7 -12.487 -11.969 8.542 1.00 0.00 H +ATOM 108 HZ3 LYS A 7 -12.361 -12.045 10.234 1.00 0.00 H +ATOM 109 N PRO A 8 -11.881 -11.996 4.321 1.00 0.00 N +ATOM 110 CA PRO A 8 -11.063 -10.785 4.194 1.00 0.00 C +ATOM 111 C PRO A 8 -10.001 -10.742 5.313 1.00 0.00 C +ATOM 112 O PRO A 8 -9.844 -11.696 6.051 1.00 0.00 O +ATOM 113 CB PRO A 8 -12.071 -9.596 4.336 1.00 0.00 C +ATOM 114 CG PRO A 8 -13.484 -10.218 4.620 1.00 0.00 C +ATOM 115 CD PRO A 8 -13.330 -11.757 4.525 1.00 0.00 C +ATOM 116 HA PRO A 8 -10.573 -10.777 3.221 1.00 0.00 H +ATOM 117 HB2 PRO A 8 -11.782 -8.944 5.154 1.00 0.00 H +ATOM 118 HB3 PRO A 8 -12.099 -9.025 3.416 1.00 0.00 H +ATOM 119 HG2 PRO A 8 -13.821 -9.939 5.611 1.00 0.00 H +ATOM 120 HG3 PRO A 8 -14.201 -9.867 3.885 1.00 0.00 H +ATOM 121 HD2 PRO A 8 -13.663 -12.230 5.437 1.00 0.00 H +ATOM 122 HD3 PRO A 8 -13.892 -12.136 3.680 1.00 0.00 H +ATOM 123 N ARG A 9 -9.300 -9.630 5.421 1.00 0.00 N +ATOM 124 CA ARG A 9 -8.248 -9.512 6.485 1.00 0.00 C +ATOM 125 C ARG A 9 -8.055 -8.065 6.900 1.00 0.00 C +ATOM 126 O ARG A 9 -6.951 -7.619 7.150 1.00 0.00 O +ATOM 127 CB ARG A 9 -6.922 -10.059 5.907 1.00 0.00 C +ATOM 128 CG ARG A 9 -6.630 -9.376 4.541 1.00 0.00 C +ATOM 129 CD ARG A 9 -5.110 -9.390 4.249 1.00 0.00 C +ATOM 130 NE ARG A 9 -4.912 -9.482 2.774 1.00 0.00 N +ATOM 131 CZ ARG A 9 -3.707 -9.410 2.281 1.00 0.00 C +ATOM 132 NH1 ARG A 9 -2.697 -9.257 3.094 1.00 0.00 N +ATOM 133 NH2 ARG A 9 -3.553 -9.487 0.988 1.00 0.00 N +ATOM 134 H ARG A 9 -9.467 -8.884 4.809 1.00 0.00 H +ATOM 135 HA ARG A 9 -8.552 -10.076 7.363 1.00 0.00 H +ATOM 136 HB2 ARG A 9 -6.114 -9.867 6.595 1.00 0.00 H +ATOM 137 HB3 ARG A 9 -7.012 -11.124 5.763 1.00 0.00 H +ATOM 138 HG2 ARG A 9 -7.146 -9.911 3.757 1.00 0.00 H +ATOM 139 HG3 ARG A 9 -6.983 -8.355 4.556 1.00 0.00 H +ATOM 140 HD2 ARG A 9 -4.655 -8.475 4.613 1.00 0.00 H +ATOM 141 HD3 ARG A 9 -4.643 -10.237 4.725 1.00 0.00 H +ATOM 142 HE ARG A 9 -5.682 -9.600 2.181 1.00 0.00 H +ATOM 143 HH11 ARG A 9 -2.852 -9.196 4.079 1.00 0.00 H +ATOM 144 HH12 ARG A 9 -1.767 -9.204 2.731 1.00 0.00 H +ATOM 145 HH21 ARG A 9 -4.352 -9.601 0.396 1.00 0.00 H +ATOM 146 HH22 ARG A 9 -2.639 -9.433 0.589 1.00 0.00 H +ATOM 147 N GLY A 10 -9.131 -7.356 6.974 1.00 0.00 N +ATOM 148 CA GLY A 10 -9.029 -5.943 7.371 1.00 0.00 C +ATOM 149 C GLY A 10 -8.440 -5.135 6.231 1.00 0.00 C +ATOM 150 O GLY A 10 -7.256 -5.217 5.968 1.00 0.00 O +ATOM 151 H GLY A 10 -9.997 -7.747 6.757 1.00 0.00 H +ATOM 152 HA2 GLY A 10 -10.010 -5.568 7.609 1.00 0.00 H +ATOM 153 HA3 GLY A 10 -8.391 -5.858 8.239 1.00 0.00 H +ATOM 154 N LYS A 11 -9.304 -4.398 5.561 1.00 0.00 N +ATOM 155 CA LYS A 11 -8.858 -3.545 4.406 1.00 0.00 C +ATOM 156 C LYS A 11 -7.480 -2.914 4.669 1.00 0.00 C +ATOM 157 O LYS A 11 -7.271 -2.242 5.658 1.00 0.00 O +ATOM 158 CB LYS A 11 -9.926 -2.417 4.147 1.00 0.00 C +ATOM 159 CG LYS A 11 -10.835 -2.208 5.381 1.00 0.00 C +ATOM 160 CD LYS A 11 -10.001 -1.703 6.567 1.00 0.00 C +ATOM 161 CE LYS A 11 -10.944 -1.187 7.656 1.00 0.00 C +ATOM 162 NZ LYS A 11 -11.779 -2.300 8.189 1.00 0.00 N +ATOM 163 H LYS A 11 -10.246 -4.431 5.806 1.00 0.00 H +ATOM 164 HA LYS A 11 -8.770 -4.189 3.528 1.00 0.00 H +ATOM 165 HB2 LYS A 11 -9.430 -1.484 3.908 1.00 0.00 H +ATOM 166 HB3 LYS A 11 -10.539 -2.702 3.306 1.00 0.00 H +ATOM 167 HG2 LYS A 11 -11.590 -1.478 5.143 1.00 0.00 H +ATOM 168 HG3 LYS A 11 -11.323 -3.131 5.642 1.00 0.00 H +ATOM 169 HD2 LYS A 11 -9.401 -2.502 6.964 1.00 0.00 H +ATOM 170 HD3 LYS A 11 -9.352 -0.903 6.240 1.00 0.00 H +ATOM 171 HE2 LYS A 11 -10.367 -0.760 8.464 1.00 0.00 H +ATOM 172 HE3 LYS A 11 -11.592 -0.426 7.245 1.00 0.00 H +ATOM 173 HZ1 LYS A 11 -11.640 -3.149 7.603 1.00 0.00 H +ATOM 174 HZ2 LYS A 11 -11.497 -2.507 9.170 1.00 0.00 H +ATOM 175 HZ3 LYS A 11 -12.781 -2.026 8.167 1.00 0.00 H +ATOM 176 N MET A 12 -6.575 -3.158 3.761 1.00 0.00 N +ATOM 177 CA MET A 12 -5.204 -2.605 3.906 1.00 0.00 C +ATOM 178 C MET A 12 -5.198 -1.083 3.943 1.00 0.00 C +ATOM 179 O MET A 12 -6.059 -0.436 3.378 1.00 0.00 O +ATOM 180 CB MET A 12 -4.384 -3.067 2.684 1.00 0.00 C +ATOM 181 CG MET A 12 -3.943 -4.518 2.878 1.00 0.00 C +ATOM 182 SD MET A 12 -3.328 -5.388 1.418 1.00 0.00 S +ATOM 183 CE MET A 12 -2.453 -3.987 0.676 1.00 0.00 C +ATOM 184 H MET A 12 -6.806 -3.695 2.972 1.00 0.00 H +ATOM 185 HA MET A 12 -4.766 -2.985 4.827 1.00 0.00 H +ATOM 186 HB2 MET A 12 -4.994 -2.993 1.796 1.00 0.00 H +ATOM 187 HB3 MET A 12 -3.510 -2.440 2.566 1.00 0.00 H +ATOM 188 HG2 MET A 12 -3.161 -4.534 3.624 1.00 0.00 H +ATOM 189 HG3 MET A 12 -4.778 -5.080 3.266 1.00 0.00 H +ATOM 190 HE1 MET A 12 -1.768 -3.569 1.397 1.00 0.00 H +ATOM 191 HE2 MET A 12 -1.907 -4.322 -0.188 1.00 0.00 H +ATOM 192 HE3 MET A 12 -3.164 -3.229 0.379 1.00 0.00 H +ATOM 193 N SER A 13 -4.208 -0.544 4.611 1.00 0.00 N +ATOM 194 CA SER A 13 -4.100 0.929 4.710 1.00 0.00 C +ATOM 195 C SER A 13 -3.469 1.475 3.440 1.00 0.00 C +ATOM 196 O SER A 13 -3.174 0.727 2.533 1.00 0.00 O +ATOM 197 CB SER A 13 -3.191 1.267 5.904 1.00 0.00 C +ATOM 198 OG SER A 13 -3.303 2.676 6.037 1.00 0.00 O +ATOM 199 H SER A 13 -3.540 -1.114 5.044 1.00 0.00 H +ATOM 200 HA SER A 13 -5.092 1.362 4.837 1.00 0.00 H +ATOM 201 HB2 SER A 13 -3.541 0.778 6.802 1.00 0.00 H +ATOM 202 HB3 SER A 13 -2.167 0.992 5.697 1.00 0.00 H +ATOM 203 HG SER A 13 -2.835 3.081 5.303 1.00 0.00 H +ATOM 204 N SER A 14 -3.257 2.760 3.392 1.00 0.00 N +ATOM 205 CA SER A 14 -2.647 3.341 2.179 1.00 0.00 C +ATOM 206 C SER A 14 -1.189 2.944 2.074 1.00 0.00 C +ATOM 207 O SER A 14 -0.646 2.840 0.990 1.00 0.00 O +ATOM 208 CB SER A 14 -2.745 4.872 2.275 1.00 0.00 C +ATOM 209 OG SER A 14 -2.520 5.315 0.949 1.00 0.00 O +ATOM 210 H SER A 14 -3.488 3.333 4.148 1.00 0.00 H +ATOM 211 HA SER A 14 -3.178 2.967 1.299 1.00 0.00 H +ATOM 212 HB2 SER A 14 -3.726 5.171 2.610 1.00 0.00 H +ATOM 213 HB3 SER A 14 -1.985 5.265 2.934 1.00 0.00 H +ATOM 214 HG SER A 14 -3.122 6.044 0.774 1.00 0.00 H +ATOM 215 N TYR A 15 -0.576 2.724 3.201 1.00 0.00 N +ATOM 216 CA TYR A 15 0.848 2.330 3.184 1.00 0.00 C +ATOM 217 C TYR A 15 0.961 0.889 2.747 1.00 0.00 C +ATOM 218 O TYR A 15 1.697 0.566 1.841 1.00 0.00 O +ATOM 219 CB TYR A 15 1.431 2.466 4.619 1.00 0.00 C +ATOM 220 CG TYR A 15 2.780 1.709 4.711 1.00 0.00 C +ATOM 221 CD1 TYR A 15 3.716 1.789 3.689 1.00 0.00 C +ATOM 222 CD2 TYR A 15 3.057 0.908 5.798 1.00 0.00 C +ATOM 223 CE1 TYR A 15 4.889 1.085 3.756 1.00 0.00 C +ATOM 224 CE2 TYR A 15 4.240 0.200 5.858 1.00 0.00 C +ATOM 225 CZ TYR A 15 5.159 0.285 4.834 1.00 0.00 C +ATOM 226 OH TYR A 15 6.313 -0.448 4.873 1.00 0.00 O +ATOM 227 H TYR A 15 -1.054 2.802 4.041 1.00 0.00 H +ATOM 228 HA TYR A 15 1.377 2.966 2.479 1.00 0.00 H +ATOM 229 HB2 TYR A 15 1.588 3.501 4.856 1.00 0.00 H +ATOM 230 HB3 TYR A 15 0.738 2.040 5.332 1.00 0.00 H +ATOM 231 HD1 TYR A 15 3.520 2.392 2.833 1.00 0.00 H +ATOM 232 HD2 TYR A 15 2.343 0.830 6.606 1.00 0.00 H +ATOM 233 HE1 TYR A 15 5.611 1.170 2.954 1.00 0.00 H +ATOM 234 HE2 TYR A 15 4.452 -0.418 6.716 1.00 0.00 H +ATOM 235 HH TYR A 15 6.792 -0.292 4.055 1.00 0.00 H +ATOM 236 N ALA A 16 0.242 0.042 3.423 1.00 0.00 N +ATOM 237 CA ALA A 16 0.286 -1.382 3.071 1.00 0.00 C +ATOM 238 C ALA A 16 -0.007 -1.569 1.594 1.00 0.00 C +ATOM 239 O ALA A 16 0.464 -2.507 0.980 1.00 0.00 O +ATOM 240 CB ALA A 16 -0.769 -2.123 3.888 1.00 0.00 C +ATOM 241 H ALA A 16 -0.314 0.350 4.166 1.00 0.00 H +ATOM 242 HA ALA A 16 1.276 -1.762 3.284 1.00 0.00 H +ATOM 243 HB1 ALA A 16 -1.713 -1.610 3.812 1.00 0.00 H +ATOM 244 HB2 ALA A 16 -0.877 -3.129 3.514 1.00 0.00 H +ATOM 245 HB3 ALA A 16 -0.464 -2.160 4.923 1.00 0.00 H +ATOM 246 N PHE A 17 -0.772 -0.659 1.033 1.00 0.00 N +ATOM 247 CA PHE A 17 -1.090 -0.789 -0.404 1.00 0.00 C +ATOM 248 C PHE A 17 0.149 -0.485 -1.205 1.00 0.00 C +ATOM 249 O PHE A 17 0.377 -1.059 -2.238 1.00 0.00 O +ATOM 250 CB PHE A 17 -2.230 0.230 -0.754 1.00 0.00 C +ATOM 251 CG PHE A 17 -3.471 -0.511 -1.269 1.00 0.00 C +ATOM 252 CD1 PHE A 17 -4.453 -0.933 -0.393 1.00 0.00 C +ATOM 253 CD2 PHE A 17 -3.641 -0.731 -2.624 1.00 0.00 C +ATOM 254 CE1 PHE A 17 -5.587 -1.560 -0.866 1.00 0.00 C +ATOM 255 CE2 PHE A 17 -4.773 -1.356 -3.093 1.00 0.00 C +ATOM 256 CZ PHE A 17 -5.744 -1.767 -2.218 1.00 0.00 C +ATOM 257 H PHE A 17 -1.115 0.115 1.560 1.00 0.00 H +ATOM 258 HA PHE A 17 -1.381 -1.812 -0.614 1.00 0.00 H +ATOM 259 HB2 PHE A 17 -2.497 0.788 0.127 1.00 0.00 H +ATOM 260 HB3 PHE A 17 -1.899 0.920 -1.515 1.00 0.00 H +ATOM 261 HD1 PHE A 17 -4.332 -0.777 0.670 1.00 0.00 H +ATOM 262 HD2 PHE A 17 -2.876 -0.420 -3.314 1.00 0.00 H +ATOM 263 HE1 PHE A 17 -6.348 -1.892 -0.176 1.00 0.00 H +ATOM 264 HE2 PHE A 17 -4.898 -1.521 -4.153 1.00 0.00 H +ATOM 265 HZ PHE A 17 -6.636 -2.239 -2.591 1.00 0.00 H +ATOM 266 N PHE A 18 0.927 0.414 -0.699 1.00 0.00 N +ATOM 267 CA PHE A 18 2.170 0.779 -1.410 1.00 0.00 C +ATOM 268 C PHE A 18 3.209 -0.307 -1.186 1.00 0.00 C +ATOM 269 O PHE A 18 4.158 -0.416 -1.935 1.00 0.00 O +ATOM 270 CB PHE A 18 2.674 2.147 -0.872 1.00 0.00 C +ATOM 271 CG PHE A 18 4.184 2.309 -1.112 1.00 0.00 C +ATOM 272 CD1 PHE A 18 5.096 1.761 -0.228 1.00 0.00 C +ATOM 273 CD2 PHE A 18 4.649 3.018 -2.205 1.00 0.00 C +ATOM 274 CE1 PHE A 18 6.451 1.922 -0.433 1.00 0.00 C +ATOM 275 CE2 PHE A 18 6.005 3.176 -2.408 1.00 0.00 C +ATOM 276 CZ PHE A 18 6.904 2.628 -1.521 1.00 0.00 C +ATOM 277 H PHE A 18 0.698 0.833 0.149 1.00 0.00 H +ATOM 278 HA PHE A 18 1.961 0.846 -2.481 1.00 0.00 H +ATOM 279 HB2 PHE A 18 2.158 2.932 -1.389 1.00 0.00 H +ATOM 280 HB3 PHE A 18 2.472 2.227 0.180 1.00 0.00 H +ATOM 281 HD1 PHE A 18 4.745 1.205 0.629 1.00 0.00 H +ATOM 282 HD2 PHE A 18 3.947 3.450 -2.904 1.00 0.00 H +ATOM 283 HE1 PHE A 18 7.158 1.495 0.264 1.00 0.00 H +ATOM 284 HE2 PHE A 18 6.362 3.730 -3.265 1.00 0.00 H +ATOM 285 HZ PHE A 18 7.965 2.758 -1.678 1.00 0.00 H +ATOM 286 N VAL A 19 3.012 -1.104 -0.142 1.00 0.00 N +ATOM 287 CA VAL A 19 3.979 -2.182 0.127 1.00 0.00 C +ATOM 288 C VAL A 19 3.725 -3.311 -0.797 1.00 0.00 C +ATOM 289 O VAL A 19 4.633 -3.839 -1.360 1.00 0.00 O +ATOM 290 CB VAL A 19 3.847 -2.686 1.586 1.00 0.00 C +ATOM 291 CG1 VAL A 19 4.725 -3.946 1.772 1.00 0.00 C +ATOM 292 CG2 VAL A 19 4.347 -1.594 2.528 1.00 0.00 C +ATOM 293 H VAL A 19 2.243 -0.983 0.431 1.00 0.00 H +ATOM 294 HA VAL A 19 4.965 -1.812 -0.055 1.00 0.00 H +ATOM 295 HB VAL A 19 2.816 -2.918 1.804 1.00 0.00 H +ATOM 296 HG11 VAL A 19 5.709 -3.763 1.367 1.00 0.00 H +ATOM 297 HG12 VAL A 19 4.811 -4.186 2.820 1.00 0.00 H +ATOM 298 HG13 VAL A 19 4.279 -4.780 1.257 1.00 0.00 H +ATOM 299 HG21 VAL A 19 5.212 -1.121 2.111 1.00 0.00 H +ATOM 300 HG22 VAL A 19 3.585 -0.866 2.660 1.00 0.00 H +ATOM 301 HG23 VAL A 19 4.607 -2.016 3.484 1.00 0.00 H +ATOM 302 N GLN A 20 2.485 -3.678 -0.938 1.00 0.00 N +ATOM 303 CA GLN A 20 2.188 -4.789 -1.844 1.00 0.00 C +ATOM 304 C GLN A 20 2.661 -4.401 -3.228 1.00 0.00 C +ATOM 305 O GLN A 20 3.000 -5.234 -4.045 1.00 0.00 O +ATOM 306 CB GLN A 20 0.648 -5.090 -1.801 1.00 0.00 C +ATOM 307 CG GLN A 20 -0.137 -4.316 -2.905 1.00 0.00 C +ATOM 308 CD GLN A 20 -0.213 -5.147 -4.203 1.00 0.00 C +ATOM 309 OE1 GLN A 20 0.503 -6.110 -4.392 1.00 0.00 O +ATOM 310 NE2 GLN A 20 -1.073 -4.802 -5.120 1.00 0.00 N +ATOM 311 H GLN A 20 1.770 -3.218 -0.457 1.00 0.00 H +ATOM 312 HA GLN A 20 2.758 -5.645 -1.514 1.00 0.00 H +ATOM 313 HB2 GLN A 20 0.490 -6.152 -1.918 1.00 0.00 H +ATOM 314 HB3 GLN A 20 0.270 -4.800 -0.834 1.00 0.00 H +ATOM 315 HG2 GLN A 20 -1.142 -4.123 -2.560 1.00 0.00 H +ATOM 316 HG3 GLN A 20 0.342 -3.382 -3.112 1.00 0.00 H +ATOM 317 HE21 GLN A 20 -1.658 -4.030 -4.977 1.00 0.00 H +ATOM 318 HE22 GLN A 20 -1.137 -5.317 -5.951 1.00 0.00 H +ATOM 319 N THR A 21 2.705 -3.109 -3.441 1.00 0.00 N +ATOM 320 CA THR A 21 3.153 -2.590 -4.748 1.00 0.00 C +ATOM 321 C THR A 21 4.654 -2.605 -4.790 1.00 0.00 C +ATOM 322 O THR A 21 5.247 -2.820 -5.826 1.00 0.00 O +ATOM 323 CB THR A 21 2.639 -1.156 -4.915 1.00 0.00 C +ATOM 324 OG1 THR A 21 1.243 -1.242 -4.748 1.00 0.00 O +ATOM 325 CG2 THR A 21 2.809 -0.680 -6.351 1.00 0.00 C +ATOM 326 H THR A 21 2.451 -2.485 -2.720 1.00 0.00 H +ATOM 327 HA THR A 21 2.784 -3.230 -5.537 1.00 0.00 H +ATOM 328 HB THR A 21 3.077 -0.478 -4.189 1.00 0.00 H +ATOM 329 HG1 THR A 21 0.827 -0.846 -5.518 1.00 0.00 H +ATOM 330 HG21 THR A 21 2.393 -1.410 -7.026 1.00 0.00 H +ATOM 331 HG22 THR A 21 2.296 0.262 -6.483 1.00 0.00 H +ATOM 332 HG23 THR A 21 3.856 -0.549 -6.567 1.00 0.00 H +ATOM 333 N SER A 22 5.259 -2.379 -3.650 1.00 0.00 N +ATOM 334 CA SER A 22 6.733 -2.386 -3.621 1.00 0.00 C +ATOM 335 C SER A 22 7.200 -3.819 -3.704 1.00 0.00 C +ATOM 336 O SER A 22 8.261 -4.104 -4.197 1.00 0.00 O +ATOM 337 CB SER A 22 7.216 -1.785 -2.294 1.00 0.00 C +ATOM 338 OG SER A 22 6.815 -0.425 -2.358 1.00 0.00 O +ATOM 339 H SER A 22 4.736 -2.212 -2.823 1.00 0.00 H +ATOM 340 HA SER A 22 7.115 -1.830 -4.470 1.00 0.00 H +ATOM 341 HB2 SER A 22 6.747 -2.276 -1.460 1.00 0.00 H +ATOM 342 HB3 SER A 22 8.293 -1.852 -2.215 1.00 0.00 H +ATOM 343 HG SER A 22 6.537 -0.157 -1.479 1.00 0.00 H +ATOM 344 N ARG A 23 6.351 -4.695 -3.226 1.00 0.00 N +ATOM 345 CA ARG A 23 6.660 -6.152 -3.232 1.00 0.00 C +ATOM 346 C ARG A 23 6.819 -6.659 -4.650 1.00 0.00 C +ATOM 347 O ARG A 23 7.805 -7.274 -4.985 1.00 0.00 O +ATOM 348 CB ARG A 23 5.468 -6.877 -2.542 1.00 0.00 C +ATOM 349 CG ARG A 23 5.937 -8.172 -1.829 1.00 0.00 C +ATOM 350 CD ARG A 23 4.970 -8.495 -0.669 1.00 0.00 C +ATOM 351 NE ARG A 23 5.023 -9.958 -0.390 1.00 0.00 N +ATOM 352 CZ ARG A 23 4.389 -10.784 -1.179 1.00 0.00 C +ATOM 353 NH1 ARG A 23 3.725 -10.302 -2.195 1.00 0.00 N +ATOM 354 NH2 ARG A 23 4.440 -12.062 -0.925 1.00 0.00 N +ATOM 355 H ARG A 23 5.505 -4.385 -2.870 1.00 0.00 H +ATOM 356 HA ARG A 23 7.567 -6.316 -2.706 1.00 0.00 H +ATOM 357 HB2 ARG A 23 5.033 -6.217 -1.819 1.00 0.00 H +ATOM 358 HB3 ARG A 23 4.716 -7.127 -3.275 1.00 0.00 H +ATOM 359 HG2 ARG A 23 5.943 -8.990 -2.534 1.00 0.00 H +ATOM 360 HG3 ARG A 23 6.931 -8.042 -1.434 1.00 0.00 H +ATOM 361 HD2 ARG A 23 5.265 -7.947 0.219 1.00 0.00 H +ATOM 362 HD3 ARG A 23 3.956 -8.218 -0.938 1.00 0.00 H +ATOM 363 HE ARG A 23 5.530 -10.297 0.378 1.00 0.00 H +ATOM 364 HH11 ARG A 23 3.707 -9.316 -2.356 1.00 0.00 H +ATOM 365 HH12 ARG A 23 3.232 -10.920 -2.807 1.00 0.00 H +ATOM 366 HH21 ARG A 23 4.958 -12.398 -0.137 1.00 0.00 H +ATOM 367 HH22 ARG A 23 3.961 -12.710 -1.518 1.00 0.00 H +ATOM 368 N GLU A 24 5.840 -6.395 -5.450 1.00 0.00 N +ATOM 369 CA GLU A 24 5.912 -6.852 -6.854 1.00 0.00 C +ATOM 370 C GLU A 24 7.127 -6.236 -7.531 1.00 0.00 C +ATOM 371 O GLU A 24 7.743 -6.838 -8.388 1.00 0.00 O +ATOM 372 CB GLU A 24 4.640 -6.390 -7.581 1.00 0.00 C +ATOM 373 CG GLU A 24 3.448 -7.200 -7.062 1.00 0.00 C +ATOM 374 CD GLU A 24 2.215 -6.891 -7.913 1.00 0.00 C +ATOM 375 OE1 GLU A 24 2.185 -7.389 -9.025 1.00 0.00 O +ATOM 376 OE2 GLU A 24 1.369 -6.175 -7.400 1.00 0.00 O +ATOM 377 H GLU A 24 5.065 -5.901 -5.128 1.00 0.00 H +ATOM 378 HA GLU A 24 6.004 -7.939 -6.874 1.00 0.00 H +ATOM 379 HB2 GLU A 24 4.477 -5.339 -7.393 1.00 0.00 H +ATOM 380 HB3 GLU A 24 4.751 -6.547 -8.643 1.00 0.00 H +ATOM 381 HG2 GLU A 24 3.669 -8.256 -7.124 1.00 0.00 H +ATOM 382 HG3 GLU A 24 3.248 -6.937 -6.034 1.00 0.00 H +ATOM 383 N GLU A 25 7.445 -5.035 -7.127 1.00 0.00 N +ATOM 384 CA GLU A 25 8.606 -4.346 -7.715 1.00 0.00 C +ATOM 385 C GLU A 25 9.895 -4.933 -7.152 1.00 0.00 C +ATOM 386 O GLU A 25 10.925 -4.922 -7.797 1.00 0.00 O +ATOM 387 CB GLU A 25 8.514 -2.852 -7.340 1.00 0.00 C +ATOM 388 CG GLU A 25 7.545 -2.148 -8.287 1.00 0.00 C +ATOM 389 CD GLU A 25 7.326 -0.713 -7.801 1.00 0.00 C +ATOM 390 OE1 GLU A 25 8.268 -0.186 -7.230 1.00 0.00 O +ATOM 391 OE2 GLU A 25 6.232 -0.226 -8.024 1.00 0.00 O +ATOM 392 H GLU A 25 6.915 -4.594 -6.446 1.00 0.00 H +ATOM 393 HA GLU A 25 8.591 -4.482 -8.783 1.00 0.00 H +ATOM 394 HB2 GLU A 25 8.154 -2.759 -6.328 1.00 0.00 H +ATOM 395 HB3 GLU A 25 9.484 -2.393 -7.413 1.00 0.00 H +ATOM 396 HG2 GLU A 25 7.957 -2.129 -9.286 1.00 0.00 H +ATOM 397 HG3 GLU A 25 6.600 -2.668 -8.299 1.00 0.00 H +ATOM 398 N HIS A 26 9.796 -5.433 -5.948 1.00 0.00 N +ATOM 399 CA HIS A 26 10.983 -6.039 -5.284 1.00 0.00 C +ATOM 400 C HIS A 26 11.139 -7.470 -5.762 1.00 0.00 C +ATOM 401 O HIS A 26 12.199 -8.035 -5.705 1.00 0.00 O +ATOM 402 CB HIS A 26 10.733 -5.991 -3.741 1.00 0.00 C +ATOM 403 CG HIS A 26 11.337 -7.199 -2.999 1.00 0.00 C +ATOM 404 ND1 HIS A 26 12.197 -7.120 -2.099 1.00 0.00 N +ATOM 405 CD2 HIS A 26 11.019 -8.540 -3.090 1.00 0.00 C +ATOM 406 CE1 HIS A 26 12.457 -8.257 -1.602 1.00 0.00 C +ATOM 407 NE2 HIS A 26 11.750 -9.234 -2.172 1.00 0.00 N +ATOM 408 H HIS A 26 8.934 -5.420 -5.488 1.00 0.00 H +ATOM 409 HA HIS A 26 11.878 -5.472 -5.551 1.00 0.00 H +ATOM 410 HB2 HIS A 26 11.161 -5.088 -3.342 1.00 0.00 H +ATOM 411 HB3 HIS A 26 9.683 -5.983 -3.557 1.00 0.00 H +ATOM 412 HD1 HIS A 26 12.619 -6.285 -1.812 1.00 0.00 H +ATOM 413 HD2 HIS A 26 10.305 -8.970 -3.779 1.00 0.00 H +ATOM 414 HE1 HIS A 26 13.167 -8.415 -0.804 1.00 0.00 H +ATOM 415 N LYS A 27 10.075 -8.019 -6.240 1.00 0.00 N +ATOM 416 CA LYS A 27 10.144 -9.397 -6.724 1.00 0.00 C +ATOM 417 C LYS A 27 11.031 -9.458 -7.975 1.00 0.00 C +ATOM 418 O LYS A 27 11.433 -10.516 -8.415 1.00 0.00 O +ATOM 419 CB LYS A 27 8.708 -9.842 -7.091 1.00 0.00 C +ATOM 420 CG LYS A 27 8.641 -11.372 -7.169 1.00 0.00 C +ATOM 421 CD LYS A 27 7.211 -11.800 -7.550 1.00 0.00 C +ATOM 422 CE LYS A 27 7.246 -13.228 -8.100 1.00 0.00 C +ATOM 423 NZ LYS A 27 7.917 -14.138 -7.130 1.00 0.00 N +ATOM 424 H LYS A 27 9.236 -7.518 -6.288 1.00 0.00 H +ATOM 425 HA LYS A 27 10.565 -10.025 -5.939 1.00 0.00 H +ATOM 426 HB2 LYS A 27 8.020 -9.491 -6.337 1.00 0.00 H +ATOM 427 HB3 LYS A 27 8.430 -9.420 -8.046 1.00 0.00 H +ATOM 428 HG2 LYS A 27 9.334 -11.730 -7.913 1.00 0.00 H +ATOM 429 HG3 LYS A 27 8.902 -11.797 -6.210 1.00 0.00 H +ATOM 430 HD2 LYS A 27 6.578 -11.766 -6.675 1.00 0.00 H +ATOM 431 HD3 LYS A 27 6.814 -11.133 -8.302 1.00 0.00 H +ATOM 432 HE2 LYS A 27 6.238 -13.576 -8.272 1.00 0.00 H +ATOM 433 HE3 LYS A 27 7.790 -13.244 -9.032 1.00 0.00 H +ATOM 434 HZ1 LYS A 27 8.463 -13.573 -6.448 1.00 0.00 H +ATOM 435 HZ2 LYS A 27 7.201 -14.695 -6.625 1.00 0.00 H +ATOM 436 HZ3 LYS A 27 8.557 -14.778 -7.641 1.00 0.00 H +ATOM 437 N LYS A 28 11.334 -8.299 -8.503 1.00 0.00 N +ATOM 438 CA LYS A 28 12.186 -8.236 -9.723 1.00 0.00 C +ATOM 439 C LYS A 28 13.679 -8.407 -9.428 1.00 0.00 C +ATOM 440 O LYS A 28 14.458 -8.562 -10.345 1.00 0.00 O +ATOM 441 CB LYS A 28 11.981 -6.861 -10.379 1.00 0.00 C +ATOM 442 CG LYS A 28 10.478 -6.587 -10.551 1.00 0.00 C +ATOM 443 CD LYS A 28 9.858 -7.662 -11.463 1.00 0.00 C +ATOM 444 CE LYS A 28 8.545 -7.133 -12.055 1.00 0.00 C +ATOM 445 NZ LYS A 28 8.822 -6.152 -13.144 1.00 0.00 N +ATOM 446 H LYS A 28 11.000 -7.471 -8.097 1.00 0.00 H +ATOM 447 HA LYS A 28 11.879 -9.027 -10.402 1.00 0.00 H +ATOM 448 HB2 LYS A 28 12.419 -6.094 -9.756 1.00 0.00 H +ATOM 449 HB3 LYS A 28 12.463 -6.846 -11.345 1.00 0.00 H +ATOM 450 HG2 LYS A 28 9.992 -6.608 -9.585 1.00 0.00 H +ATOM 451 HG3 LYS A 28 10.340 -5.609 -10.994 1.00 0.00 H +ATOM 452 HD2 LYS A 28 10.543 -7.904 -12.264 1.00 0.00 H +ATOM 453 HD3 LYS A 28 9.656 -8.553 -10.889 1.00 0.00 H +ATOM 454 HE2 LYS A 28 7.974 -7.956 -12.459 1.00 0.00 H +ATOM 455 HE3 LYS A 28 7.968 -6.649 -11.282 1.00 0.00 H +ATOM 456 HZ1 LYS A 28 9.843 -5.961 -13.187 1.00 0.00 H +ATOM 457 HZ2 LYS A 28 8.503 -6.542 -14.053 1.00 0.00 H +ATOM 458 HZ3 LYS A 28 8.312 -5.266 -12.949 1.00 0.00 H +ATOM 459 N LYS A 29 14.069 -8.375 -8.169 1.00 0.00 N +ATOM 460 CA LYS A 29 15.532 -8.540 -7.876 1.00 0.00 C +ATOM 461 C LYS A 29 15.805 -8.883 -6.401 1.00 0.00 C +ATOM 462 O LYS A 29 16.681 -8.310 -5.785 1.00 0.00 O +ATOM 463 CB LYS A 29 16.269 -7.220 -8.257 1.00 0.00 C +ATOM 464 CG LYS A 29 15.642 -6.022 -7.519 1.00 0.00 C +ATOM 465 CD LYS A 29 15.959 -4.727 -8.281 1.00 0.00 C +ATOM 466 CE LYS A 29 15.624 -3.528 -7.392 1.00 0.00 C +ATOM 467 NZ LYS A 29 15.808 -2.257 -8.144 1.00 0.00 N +ATOM 468 H LYS A 29 13.423 -8.247 -7.444 1.00 0.00 H +ATOM 469 HA LYS A 29 15.910 -9.365 -8.484 1.00 0.00 H +ATOM 470 HB2 LYS A 29 17.311 -7.301 -7.992 1.00 0.00 H +ATOM 471 HB3 LYS A 29 16.193 -7.068 -9.323 1.00 0.00 H +ATOM 472 HG2 LYS A 29 14.572 -6.148 -7.456 1.00 0.00 H +ATOM 473 HG3 LYS A 29 16.054 -5.958 -6.525 1.00 0.00 H +ATOM 474 HD2 LYS A 29 17.007 -4.705 -8.538 1.00 0.00 H +ATOM 475 HD3 LYS A 29 15.372 -4.683 -9.185 1.00 0.00 H +ATOM 476 HE2 LYS A 29 14.598 -3.598 -7.062 1.00 0.00 H +ATOM 477 HE3 LYS A 29 16.273 -3.527 -6.529 1.00 0.00 H +ATOM 478 HZ1 LYS A 29 15.442 -2.368 -9.111 1.00 0.00 H +ATOM 479 HZ2 LYS A 29 15.291 -1.492 -7.664 1.00 0.00 H +ATOM 480 HZ3 LYS A 29 16.820 -2.020 -8.181 1.00 0.00 H +ATOM 481 N HIS A 30 15.048 -9.828 -5.877 1.00 0.00 N +ATOM 482 CA HIS A 30 15.232 -10.246 -4.442 1.00 0.00 C +ATOM 483 C HIS A 30 14.809 -11.721 -4.259 1.00 0.00 C +ATOM 484 O HIS A 30 13.809 -12.009 -3.630 1.00 0.00 O +ATOM 485 CB HIS A 30 14.317 -9.396 -3.539 1.00 0.00 C +ATOM 486 CG HIS A 30 14.826 -7.962 -3.414 1.00 0.00 C +ATOM 487 ND1 HIS A 30 15.324 -7.476 -2.379 1.00 0.00 N +ATOM 488 CD2 HIS A 30 14.785 -6.930 -4.318 1.00 0.00 C +ATOM 489 CE1 HIS A 30 15.595 -6.251 -2.526 1.00 0.00 C +ATOM 490 NE2 HIS A 30 15.288 -5.807 -3.740 1.00 0.00 N +ATOM 491 H HIS A 30 14.360 -10.263 -6.425 1.00 0.00 H +ATOM 492 HA HIS A 30 16.280 -10.138 -4.159 1.00 0.00 H +ATOM 493 HB2 HIS A 30 13.327 -9.384 -3.950 1.00 0.00 H +ATOM 494 HB3 HIS A 30 14.284 -9.830 -2.556 1.00 0.00 H +ATOM 495 HD1 HIS A 30 15.479 -7.981 -1.553 1.00 0.00 H +ATOM 496 HD2 HIS A 30 14.399 -6.993 -5.309 1.00 0.00 H +ATOM 497 HE1 HIS A 30 16.000 -5.631 -1.746 1.00 0.00 H +ATOM 498 N PRO A 31 15.572 -12.633 -4.828 1.00 0.00 N +ATOM 499 CA PRO A 31 15.258 -14.059 -4.714 1.00 0.00 C +ATOM 500 C PRO A 31 15.626 -14.604 -3.328 1.00 0.00 C +ATOM 501 O PRO A 31 15.048 -15.568 -2.862 1.00 0.00 O +ATOM 502 CB PRO A 31 16.146 -14.739 -5.804 1.00 0.00 C +ATOM 503 CG PRO A 31 17.168 -13.657 -6.302 1.00 0.00 C +ATOM 504 CD PRO A 31 16.758 -12.312 -5.646 1.00 0.00 C +ATOM 505 HA PRO A 31 14.209 -14.217 -4.905 1.00 0.00 H +ATOM 506 HB2 PRO A 31 16.678 -15.593 -5.393 1.00 0.00 H +ATOM 507 HB3 PRO A 31 15.527 -15.070 -6.629 1.00 0.00 H +ATOM 508 HG2 PRO A 31 18.174 -13.929 -6.002 1.00 0.00 H +ATOM 509 HG3 PRO A 31 17.125 -13.575 -7.384 1.00 0.00 H +ATOM 510 HD2 PRO A 31 17.552 -11.934 -5.012 1.00 0.00 H +ATOM 511 HD3 PRO A 31 16.505 -11.584 -6.399 1.00 0.00 H +ATOM 512 N ASP A 32 16.571 -13.956 -2.702 1.00 0.00 N +ATOM 513 CA ASP A 32 17.025 -14.393 -1.344 1.00 0.00 C +ATOM 514 C ASP A 32 16.205 -13.775 -0.209 1.00 0.00 C +ATOM 515 O ASP A 32 16.147 -14.319 0.876 1.00 0.00 O +ATOM 516 CB ASP A 32 18.487 -13.942 -1.185 1.00 0.00 C +ATOM 517 CG ASP A 32 18.612 -12.484 -1.633 1.00 0.00 C +ATOM 518 OD1 ASP A 32 18.435 -11.637 -0.776 1.00 0.00 O +ATOM 519 OD2 ASP A 32 18.875 -12.303 -2.811 1.00 0.00 O +ATOM 520 H ASP A 32 16.983 -13.177 -3.129 1.00 0.00 H +ATOM 521 HA ASP A 32 16.955 -15.469 -1.274 1.00 0.00 H +ATOM 522 HB2 ASP A 32 18.791 -14.026 -0.151 1.00 0.00 H +ATOM 523 HB3 ASP A 32 19.127 -14.560 -1.797 1.00 0.00 H +ATOM 524 N ALA A 33 15.592 -12.665 -0.466 1.00 0.00 N +ATOM 525 CA ALA A 33 14.785 -12.024 0.601 1.00 0.00 C +ATOM 526 C ALA A 33 13.588 -12.881 1.003 1.00 0.00 C +ATOM 527 O ALA A 33 13.291 -13.011 2.171 1.00 0.00 O +ATOM 528 CB ALA A 33 14.267 -10.676 0.085 1.00 0.00 C +ATOM 529 H ALA A 33 15.662 -12.260 -1.344 1.00 0.00 H +ATOM 530 HA ALA A 33 15.417 -11.880 1.468 1.00 0.00 H +ATOM 531 HB1 ALA A 33 15.070 -10.134 -0.388 1.00 0.00 H +ATOM 532 HB2 ALA A 33 13.474 -10.839 -0.629 1.00 0.00 H +ATOM 533 HB3 ALA A 33 13.884 -10.093 0.911 1.00 0.00 H +ATOM 534 N SER A 34 12.919 -13.434 0.024 1.00 0.00 N +ATOM 535 CA SER A 34 11.732 -14.289 0.316 1.00 0.00 C +ATOM 536 C SER A 34 10.608 -13.477 0.974 1.00 0.00 C +ATOM 537 O SER A 34 9.494 -13.943 1.073 1.00 0.00 O +ATOM 538 CB SER A 34 12.159 -15.439 1.255 1.00 0.00 C +ATOM 539 OG SER A 34 13.524 -15.665 0.927 1.00 0.00 O +ATOM 540 H SER A 34 13.198 -13.293 -0.899 1.00 0.00 H +ATOM 541 HA SER A 34 11.358 -14.685 -0.625 1.00 0.00 H +ATOM 542 HB2 SER A 34 12.063 -15.157 2.291 1.00 0.00 H +ATOM 543 HB3 SER A 34 11.580 -16.324 1.053 1.00 0.00 H +ATOM 544 HG SER A 34 14.028 -14.900 1.210 1.00 0.00 H +ATOM 545 N VAL A 35 10.935 -12.273 1.395 1.00 0.00 N +ATOM 546 CA VAL A 35 9.921 -11.390 2.050 1.00 0.00 C +ATOM 547 C VAL A 35 9.088 -12.128 3.106 1.00 0.00 C +ATOM 548 O VAL A 35 7.999 -12.595 2.829 1.00 0.00 O +ATOM 549 CB VAL A 35 8.996 -10.855 0.944 1.00 0.00 C +ATOM 550 CG1 VAL A 35 7.894 -9.951 1.560 1.00 0.00 C +ATOM 551 CG2 VAL A 35 9.843 -10.040 -0.045 1.00 0.00 C +ATOM 552 H VAL A 35 11.836 -11.947 1.261 1.00 0.00 H +ATOM 553 HA VAL A 35 10.444 -10.566 2.535 1.00 0.00 H +ATOM 554 HB VAL A 35 8.543 -11.685 0.428 1.00 0.00 H +ATOM 555 HG11 VAL A 35 8.259 -9.487 2.462 1.00 0.00 H +ATOM 556 HG12 VAL A 35 7.610 -9.179 0.855 1.00 0.00 H +ATOM 557 HG13 VAL A 35 7.025 -10.543 1.795 1.00 0.00 H +ATOM 558 HG21 VAL A 35 10.616 -10.666 -0.465 1.00 0.00 H +ATOM 559 HG22 VAL A 35 9.217 -9.664 -0.840 1.00 0.00 H +ATOM 560 HG23 VAL A 35 10.303 -9.207 0.470 1.00 0.00 H +ATOM 561 N ASN A 36 9.621 -12.201 4.311 1.00 0.00 N +ATOM 562 CA ASN A 36 8.893 -12.898 5.418 1.00 0.00 C +ATOM 563 C ASN A 36 7.991 -11.919 6.175 1.00 0.00 C +ATOM 564 O ASN A 36 7.553 -12.200 7.275 1.00 0.00 O +ATOM 565 CB ASN A 36 9.942 -13.452 6.398 1.00 0.00 C +ATOM 566 CG ASN A 36 11.074 -14.105 5.607 1.00 0.00 C +ATOM 567 OD1 ASN A 36 10.845 -14.886 4.705 1.00 0.00 O +ATOM 568 ND2 ASN A 36 12.307 -13.816 5.912 1.00 0.00 N +ATOM 569 H ASN A 36 10.498 -11.791 4.482 1.00 0.00 H +ATOM 570 HA ASN A 36 8.285 -13.702 5.011 1.00 0.00 H +ATOM 571 HB2 ASN A 36 10.348 -12.650 6.995 1.00 0.00 H +ATOM 572 HB3 ASN A 36 9.489 -14.187 7.046 1.00 0.00 H +ATOM 573 HD21 ASN A 36 12.496 -13.187 6.640 1.00 0.00 H +ATOM 574 HD22 ASN A 36 13.044 -14.223 5.414 1.00 0.00 H +ATOM 575 N PHE A 37 7.728 -10.787 5.557 1.00 0.00 N +ATOM 576 CA PHE A 37 6.858 -9.759 6.205 1.00 0.00 C +ATOM 577 C PHE A 37 7.344 -9.471 7.633 1.00 0.00 C +ATOM 578 O PHE A 37 6.604 -9.528 8.596 1.00 0.00 O +ATOM 579 CB PHE A 37 5.389 -10.267 6.207 1.00 0.00 C +ATOM 580 CG PHE A 37 4.784 -9.991 4.827 1.00 0.00 C +ATOM 581 CD1 PHE A 37 4.353 -8.716 4.499 1.00 0.00 C +ATOM 582 CD2 PHE A 37 4.705 -10.992 3.877 1.00 0.00 C +ATOM 583 CE1 PHE A 37 3.860 -8.450 3.239 1.00 0.00 C +ATOM 584 CE2 PHE A 37 4.210 -10.722 2.617 1.00 0.00 C +ATOM 585 CZ PHE A 37 3.788 -9.450 2.301 1.00 0.00 C +ATOM 586 H PHE A 37 8.105 -10.619 4.669 1.00 0.00 H +ATOM 587 HA PHE A 37 6.944 -8.829 5.625 1.00 0.00 H +ATOM 588 HB2 PHE A 37 5.364 -11.326 6.406 1.00 0.00 H +ATOM 589 HB3 PHE A 37 4.810 -9.744 6.953 1.00 0.00 H +ATOM 590 HD1 PHE A 37 4.404 -7.926 5.234 1.00 0.00 H +ATOM 591 HD2 PHE A 37 5.031 -11.992 4.124 1.00 0.00 H +ATOM 592 HE1 PHE A 37 3.528 -7.452 2.991 1.00 0.00 H +ATOM 593 HE2 PHE A 37 4.153 -11.507 1.881 1.00 0.00 H +ATOM 594 HZ PHE A 37 3.417 -9.234 1.309 1.00 0.00 H +ATOM 595 N SER A 38 8.600 -9.177 7.716 1.00 0.00 N +ATOM 596 CA SER A 38 9.220 -8.873 9.020 1.00 0.00 C +ATOM 597 C SER A 38 10.604 -8.318 8.764 1.00 0.00 C +ATOM 598 O SER A 38 11.383 -8.104 9.673 1.00 0.00 O +ATOM 599 CB SER A 38 9.324 -10.178 9.842 1.00 0.00 C +ATOM 600 OG SER A 38 9.561 -11.182 8.869 1.00 0.00 O +ATOM 601 H SER A 38 9.148 -9.159 6.904 1.00 0.00 H +ATOM 602 HA SER A 38 8.621 -8.123 9.539 1.00 0.00 H +ATOM 603 HB2 SER A 38 10.148 -10.133 10.542 1.00 0.00 H +ATOM 604 HB3 SER A 38 8.400 -10.375 10.361 1.00 0.00 H +ATOM 605 HG SER A 38 10.175 -10.830 8.221 1.00 0.00 H +ATOM 606 N GLU A 39 10.870 -8.102 7.495 1.00 0.00 N +ATOM 607 CA GLU A 39 12.182 -7.558 7.066 1.00 0.00 C +ATOM 608 C GLU A 39 12.005 -6.748 5.789 1.00 0.00 C +ATOM 609 O GLU A 39 12.809 -5.889 5.474 1.00 0.00 O +ATOM 610 CB GLU A 39 13.118 -8.746 6.777 1.00 0.00 C +ATOM 611 CG GLU A 39 13.502 -9.418 8.097 1.00 0.00 C +ATOM 612 CD GLU A 39 14.622 -10.430 7.846 1.00 0.00 C +ATOM 613 OE1 GLU A 39 14.515 -11.115 6.842 1.00 0.00 O +ATOM 614 OE2 GLU A 39 15.518 -10.462 8.673 1.00 0.00 O +ATOM 615 H GLU A 39 10.188 -8.304 6.820 1.00 0.00 H +ATOM 616 HA GLU A 39 12.584 -6.916 7.842 1.00 0.00 H +ATOM 617 HB2 GLU A 39 12.610 -9.460 6.142 1.00 0.00 H +ATOM 618 HB3 GLU A 39 14.005 -8.395 6.276 1.00 0.00 H +ATOM 619 HG2 GLU A 39 13.846 -8.672 8.801 1.00 0.00 H +ATOM 620 HG3 GLU A 39 12.647 -9.930 8.511 1.00 0.00 H +ATOM 621 N PHE A 40 10.935 -7.040 5.087 1.00 0.00 N +ATOM 622 CA PHE A 40 10.637 -6.328 3.816 1.00 0.00 C +ATOM 623 C PHE A 40 9.852 -5.051 4.077 1.00 0.00 C +ATOM 624 O PHE A 40 10.278 -3.981 3.705 1.00 0.00 O +ATOM 625 CB PHE A 40 9.791 -7.254 2.942 1.00 0.00 C +ATOM 626 CG PHE A 40 9.491 -6.553 1.621 1.00 0.00 C +ATOM 627 CD1 PHE A 40 10.524 -6.177 0.781 1.00 0.00 C +ATOM 628 CD2 PHE A 40 8.188 -6.260 1.257 1.00 0.00 C +ATOM 629 CE1 PHE A 40 10.263 -5.523 -0.392 1.00 0.00 C +ATOM 630 CE2 PHE A 40 7.927 -5.604 0.077 1.00 0.00 C +ATOM 631 CZ PHE A 40 8.964 -5.231 -0.748 1.00 0.00 C +ATOM 632 H PHE A 40 10.336 -7.731 5.397 1.00 0.00 H +ATOM 633 HA PHE A 40 11.564 -6.077 3.327 1.00 0.00 H +ATOM 634 HB2 PHE A 40 10.328 -8.168 2.747 1.00 0.00 H +ATOM 635 HB3 PHE A 40 8.864 -7.482 3.447 1.00 0.00 H +ATOM 636 HD1 PHE A 40 11.541 -6.413 1.045 1.00 0.00 H +ATOM 637 HD2 PHE A 40 7.369 -6.555 1.900 1.00 0.00 H +ATOM 638 HE1 PHE A 40 11.076 -5.247 -1.039 1.00 0.00 H +ATOM 639 HE2 PHE A 40 6.910 -5.398 -0.207 1.00 0.00 H +ATOM 640 HZ PHE A 40 8.761 -4.690 -1.661 1.00 0.00 H +ATOM 641 N SER A 41 8.680 -5.198 4.653 1.00 0.00 N +ATOM 642 CA SER A 41 7.852 -4.001 4.950 1.00 0.00 C +ATOM 643 C SER A 41 8.674 -2.985 5.710 1.00 0.00 C +ATOM 644 O SER A 41 8.455 -1.814 5.596 1.00 0.00 O +ATOM 645 CB SER A 41 6.659 -4.433 5.818 1.00 0.00 C +ATOM 646 OG SER A 41 7.256 -4.966 6.991 1.00 0.00 O +ATOM 647 H SER A 41 8.337 -6.085 4.837 1.00 0.00 H +ATOM 648 HA SER A 41 7.517 -3.547 4.016 1.00 0.00 H +ATOM 649 HB2 SER A 41 6.038 -3.585 6.069 1.00 0.00 H +ATOM 650 HB3 SER A 41 6.075 -5.193 5.318 1.00 0.00 H +ATOM 651 HG SER A 41 6.859 -5.824 7.164 1.00 0.00 H +ATOM 652 N LYS A 42 9.598 -3.451 6.492 1.00 0.00 N +ATOM 653 CA LYS A 42 10.422 -2.498 7.243 1.00 0.00 C +ATOM 654 C LYS A 42 11.142 -1.606 6.237 1.00 0.00 C +ATOM 655 O LYS A 42 11.356 -0.429 6.463 1.00 0.00 O +ATOM 656 CB LYS A 42 11.451 -3.298 8.075 1.00 0.00 C +ATOM 657 CG LYS A 42 11.874 -2.471 9.296 1.00 0.00 C +ATOM 658 CD LYS A 42 12.863 -3.290 10.150 1.00 0.00 C +ATOM 659 CE LYS A 42 12.163 -4.554 10.698 1.00 0.00 C +ATOM 660 NZ LYS A 42 12.780 -4.970 11.986 1.00 0.00 N +ATOM 661 H LYS A 42 9.736 -4.409 6.588 1.00 0.00 H +ATOM 662 HA LYS A 42 9.780 -1.891 7.874 1.00 0.00 H +ATOM 663 HB2 LYS A 42 10.999 -4.220 8.402 1.00 0.00 H +ATOM 664 HB3 LYS A 42 12.320 -3.527 7.472 1.00 0.00 H +ATOM 665 HG2 LYS A 42 12.350 -1.558 8.968 1.00 0.00 H +ATOM 666 HG3 LYS A 42 11.004 -2.223 9.887 1.00 0.00 H +ATOM 667 HD2 LYS A 42 13.709 -3.580 9.542 1.00 0.00 H +ATOM 668 HD3 LYS A 42 13.213 -2.686 10.972 1.00 0.00 H +ATOM 669 HE2 LYS A 42 11.112 -4.355 10.862 1.00 0.00 H +ATOM 670 HE3 LYS A 42 12.261 -5.361 9.986 1.00 0.00 H +ATOM 671 HZ1 LYS A 42 13.573 -4.337 12.211 1.00 0.00 H +ATOM 672 HZ2 LYS A 42 12.070 -4.919 12.744 1.00 0.00 H +ATOM 673 HZ3 LYS A 42 13.129 -5.946 11.902 1.00 0.00 H +ATOM 674 N LYS A 43 11.492 -2.210 5.132 1.00 0.00 N +ATOM 675 CA LYS A 43 12.188 -1.487 4.072 1.00 0.00 C +ATOM 676 C LYS A 43 11.211 -0.600 3.281 1.00 0.00 C +ATOM 677 O LYS A 43 11.491 0.559 3.034 1.00 0.00 O +ATOM 678 CB LYS A 43 12.794 -2.557 3.134 1.00 0.00 C +ATOM 679 CG LYS A 43 14.083 -2.041 2.485 1.00 0.00 C +ATOM 680 CD LYS A 43 14.813 -3.228 1.863 1.00 0.00 C +ATOM 681 CE LYS A 43 15.930 -2.718 0.949 1.00 0.00 C +ATOM 682 NZ LYS A 43 16.876 -3.821 0.615 1.00 0.00 N +ATOM 683 H LYS A 43 11.316 -3.156 5.021 1.00 0.00 H +ATOM 684 HA LYS A 43 12.956 -0.872 4.515 1.00 0.00 H +ATOM 685 HB2 LYS A 43 13.015 -3.445 3.711 1.00 0.00 H +ATOM 686 HB3 LYS A 43 12.083 -2.819 2.361 1.00 0.00 H +ATOM 687 HG2 LYS A 43 13.844 -1.317 1.720 1.00 0.00 H +ATOM 688 HG3 LYS A 43 14.715 -1.581 3.228 1.00 0.00 H +ATOM 689 HD2 LYS A 43 15.232 -3.840 2.648 1.00 0.00 H +ATOM 690 HD3 LYS A 43 14.113 -3.822 1.290 1.00 0.00 H +ATOM 691 HE2 LYS A 43 15.502 -2.331 0.037 1.00 0.00 H +ATOM 692 HE3 LYS A 43 16.473 -1.929 1.446 1.00 0.00 H +ATOM 693 HZ1 LYS A 43 17.256 -4.231 1.493 1.00 0.00 H +ATOM 694 HZ2 LYS A 43 16.374 -4.559 0.079 1.00 0.00 H +ATOM 695 HZ3 LYS A 43 17.658 -3.447 0.042 1.00 0.00 H +ATOM 696 N CYS A 44 10.073 -1.159 2.895 1.00 0.00 N +ATOM 697 CA CYS A 44 9.103 -0.351 2.135 1.00 0.00 C +ATOM 698 C CYS A 44 8.674 0.844 2.951 1.00 0.00 C +ATOM 699 O CYS A 44 8.439 1.915 2.424 1.00 0.00 O +ATOM 700 CB CYS A 44 7.895 -1.223 1.829 1.00 0.00 C +ATOM 701 SG CYS A 44 8.202 -2.816 1.028 1.00 0.00 S +ATOM 702 H CYS A 44 9.862 -2.096 3.124 1.00 0.00 H +ATOM 703 HA CYS A 44 9.566 -0.005 1.226 1.00 0.00 H +ATOM 704 HB2 CYS A 44 7.382 -1.416 2.757 1.00 0.00 H +ATOM 705 HB3 CYS A 44 7.235 -0.658 1.191 1.00 0.00 H +ATOM 706 HG CYS A 44 8.223 -3.490 1.710 1.00 0.00 H +ATOM 707 N SER A 45 8.568 0.638 4.224 1.00 0.00 N +ATOM 708 CA SER A 45 8.156 1.754 5.114 1.00 0.00 C +ATOM 709 C SER A 45 9.115 2.911 4.934 1.00 0.00 C +ATOM 710 O SER A 45 8.712 4.038 4.739 1.00 0.00 O +ATOM 711 CB SER A 45 8.223 1.273 6.580 1.00 0.00 C +ATOM 712 OG SER A 45 8.209 2.470 7.345 1.00 0.00 O +ATOM 713 H SER A 45 8.754 -0.248 4.588 1.00 0.00 H +ATOM 714 HA SER A 45 7.151 2.078 4.849 1.00 0.00 H +ATOM 715 HB2 SER A 45 7.369 0.666 6.827 1.00 0.00 H +ATOM 716 HB3 SER A 45 9.136 0.727 6.762 1.00 0.00 H +ATOM 717 HG SER A 45 7.741 3.139 6.838 1.00 0.00 H +ATOM 718 N GLU A 46 10.378 2.606 4.997 1.00 0.00 N +ATOM 719 CA GLU A 46 11.387 3.667 4.830 1.00 0.00 C +ATOM 720 C GLU A 46 11.295 4.264 3.433 1.00 0.00 C +ATOM 721 O GLU A 46 11.839 5.321 3.173 1.00 0.00 O +ATOM 722 CB GLU A 46 12.778 3.035 5.018 1.00 0.00 C +ATOM 723 CG GLU A 46 13.852 4.128 4.933 1.00 0.00 C +ATOM 724 CD GLU A 46 15.148 3.622 5.574 1.00 0.00 C +ATOM 725 OE1 GLU A 46 15.155 3.543 6.791 1.00 0.00 O +ATOM 726 OE2 GLU A 46 16.057 3.345 4.809 1.00 0.00 O +ATOM 727 H GLU A 46 10.657 1.676 5.156 1.00 0.00 H +ATOM 728 HA GLU A 46 11.209 4.446 5.564 1.00 0.00 H +ATOM 729 HB2 GLU A 46 12.826 2.549 5.984 1.00 0.00 H +ATOM 730 HB3 GLU A 46 12.950 2.300 4.245 1.00 0.00 H +ATOM 731 HG2 GLU A 46 14.042 4.373 3.900 1.00 0.00 H +ATOM 732 HG3 GLU A 46 13.518 5.013 5.456 1.00 0.00 H +ATOM 733 N ARG A 47 10.590 3.556 2.562 1.00 0.00 N +ATOM 734 CA ARG A 47 10.412 4.014 1.149 1.00 0.00 C +ATOM 735 C ARG A 47 9.038 4.673 0.943 1.00 0.00 C +ATOM 736 O ARG A 47 8.779 5.241 -0.104 1.00 0.00 O +ATOM 737 CB ARG A 47 10.513 2.761 0.243 1.00 0.00 C +ATOM 738 CG ARG A 47 10.949 3.176 -1.164 1.00 0.00 C +ATOM 739 CD ARG A 47 11.189 1.919 -2.004 1.00 0.00 C +ATOM 740 NE ARG A 47 11.897 2.307 -3.251 1.00 0.00 N +ATOM 741 CZ ARG A 47 12.133 1.404 -4.165 1.00 0.00 C +ATOM 742 NH1 ARG A 47 11.739 0.175 -3.958 1.00 0.00 N +ATOM 743 NH2 ARG A 47 12.758 1.760 -5.251 1.00 0.00 N +ATOM 744 H ARG A 47 10.189 2.725 2.841 1.00 0.00 H +ATOM 745 HA ARG A 47 11.182 4.722 0.904 1.00 0.00 H +ATOM 746 HB2 ARG A 47 11.243 2.080 0.656 1.00 0.00 H +ATOM 747 HB3 ARG A 47 9.556 2.262 0.192 1.00 0.00 H +ATOM 748 HG2 ARG A 47 10.178 3.778 -1.621 1.00 0.00 H +ATOM 749 HG3 ARG A 47 11.861 3.752 -1.108 1.00 0.00 H +ATOM 750 HD2 ARG A 47 11.795 1.217 -1.450 1.00 0.00 H +ATOM 751 HD3 ARG A 47 10.245 1.458 -2.254 1.00 0.00 H +ATOM 752 HE ARG A 47 12.184 3.232 -3.386 1.00 0.00 H +ATOM 753 HH11 ARG A 47 11.265 -0.064 -3.110 1.00 0.00 H +ATOM 754 HH12 ARG A 47 11.907 -0.527 -4.651 1.00 0.00 H +ATOM 755 HH21 ARG A 47 13.049 2.709 -5.374 1.00 0.00 H +ATOM 756 HH22 ARG A 47 12.947 1.083 -5.964 1.00 0.00 H +ATOM 757 N TRP A 48 8.192 4.572 1.955 1.00 0.00 N +ATOM 758 CA TRP A 48 6.810 5.172 1.886 1.00 0.00 C +ATOM 759 C TRP A 48 6.732 6.467 2.696 1.00 0.00 C +ATOM 760 O TRP A 48 6.392 7.509 2.174 1.00 0.00 O +ATOM 761 CB TRP A 48 5.857 4.113 2.482 1.00 0.00 C +ATOM 762 CG TRP A 48 4.582 4.738 3.068 1.00 0.00 C +ATOM 763 CD1 TRP A 48 4.417 4.981 4.350 1.00 0.00 C +ATOM 764 CD2 TRP A 48 3.470 4.935 2.403 1.00 0.00 C +ATOM 765 NE1 TRP A 48 3.120 5.321 4.447 1.00 0.00 N +ATOM 766 CE2 TRP A 48 2.447 5.316 3.248 1.00 0.00 C +ATOM 767 CE3 TRP A 48 3.230 4.808 1.058 1.00 0.00 C +ATOM 768 CZ2 TRP A 48 1.184 5.551 2.749 1.00 0.00 C +ATOM 769 CZ3 TRP A 48 1.962 5.054 0.556 1.00 0.00 C +ATOM 770 CH2 TRP A 48 0.945 5.422 1.407 1.00 0.00 C +ATOM 771 H TRP A 48 8.462 4.084 2.764 1.00 0.00 H +ATOM 772 HA TRP A 48 6.549 5.384 0.863 1.00 0.00 H +ATOM 773 HB2 TRP A 48 5.581 3.411 1.719 1.00 0.00 H +ATOM 774 HB3 TRP A 48 6.370 3.585 3.267 1.00 0.00 H +ATOM 775 HD1 TRP A 48 5.167 4.997 5.116 1.00 0.00 H +ATOM 776 HE1 TRP A 48 2.688 5.536 5.299 1.00 0.00 H +ATOM 777 HE3 TRP A 48 4.029 4.510 0.394 1.00 0.00 H +ATOM 778 HZ2 TRP A 48 0.374 5.794 3.420 1.00 0.00 H +ATOM 779 HZ3 TRP A 48 1.778 4.989 -0.499 1.00 0.00 H +ATOM 780 HH2 TRP A 48 -0.047 5.597 1.021 1.00 0.00 H +ATOM 781 N LYS A 49 7.032 6.356 3.955 1.00 0.00 N +ATOM 782 CA LYS A 49 6.991 7.567 4.852 1.00 0.00 C +ATOM 783 C LYS A 49 7.755 8.745 4.237 1.00 0.00 C +ATOM 784 O LYS A 49 7.621 9.873 4.674 1.00 0.00 O +ATOM 785 CB LYS A 49 7.693 7.219 6.186 1.00 0.00 C +ATOM 786 CG LYS A 49 6.973 6.057 6.884 1.00 0.00 C +ATOM 787 CD LYS A 49 7.569 5.867 8.294 1.00 0.00 C +ATOM 788 CE LYS A 49 6.612 5.025 9.141 1.00 0.00 C +ATOM 789 NZ LYS A 49 5.467 5.852 9.608 1.00 0.00 N +ATOM 790 H LYS A 49 7.268 5.475 4.316 1.00 0.00 H +ATOM 791 HA LYS A 49 5.956 7.855 5.019 1.00 0.00 H +ATOM 792 HB2 LYS A 49 8.717 6.941 5.989 1.00 0.00 H +ATOM 793 HB3 LYS A 49 7.683 8.087 6.825 1.00 0.00 H +ATOM 794 HG2 LYS A 49 5.918 6.272 6.958 1.00 0.00 H +ATOM 795 HG3 LYS A 49 7.114 5.154 6.319 1.00 0.00 H +ATOM 796 HD2 LYS A 49 8.521 5.365 8.219 1.00 0.00 H +ATOM 797 HD3 LYS A 49 7.713 6.829 8.765 1.00 0.00 H +ATOM 798 HE2 LYS A 49 6.237 4.199 8.553 1.00 0.00 H +ATOM 799 HE3 LYS A 49 7.138 4.636 10.000 1.00 0.00 H +ATOM 800 HZ1 LYS A 49 5.822 6.751 9.992 1.00 0.00 H +ATOM 801 HZ2 LYS A 49 4.829 6.044 8.809 1.00 0.00 H +ATOM 802 HZ3 LYS A 49 4.949 5.339 10.350 1.00 0.00 H +ATOM 803 N THR A 50 8.532 8.449 3.234 1.00 0.00 N +ATOM 804 CA THR A 50 9.336 9.497 2.549 1.00 0.00 C +ATOM 805 C THR A 50 8.569 10.196 1.423 1.00 0.00 C +ATOM 806 O THR A 50 8.727 11.383 1.209 1.00 0.00 O +ATOM 807 CB THR A 50 10.553 8.781 1.945 1.00 0.00 C +ATOM 808 OG1 THR A 50 10.940 9.524 0.798 1.00 0.00 O +ATOM 809 CG2 THR A 50 10.126 7.412 1.405 1.00 0.00 C +ATOM 810 H THR A 50 8.586 7.535 2.926 1.00 0.00 H +ATOM 811 HA THR A 50 9.648 10.221 3.262 1.00 0.00 H +ATOM 812 HB THR A 50 11.373 8.712 2.656 1.00 0.00 H +ATOM 813 HG1 THR A 50 11.289 10.367 1.093 1.00 0.00 H +ATOM 814 HG21 THR A 50 9.190 7.509 0.872 1.00 0.00 H +ATOM 815 HG22 THR A 50 10.876 7.032 0.740 1.00 0.00 H +ATOM 816 HG23 THR A 50 9.992 6.724 2.228 1.00 0.00 H +ATOM 817 N MET A 51 7.775 9.451 0.724 1.00 0.00 N +ATOM 818 CA MET A 51 6.997 10.051 -0.388 1.00 0.00 C +ATOM 819 C MET A 51 6.140 11.220 0.080 1.00 0.00 C +ATOM 820 O MET A 51 6.056 11.495 1.265 1.00 0.00 O +ATOM 821 CB MET A 51 6.088 8.962 -0.983 1.00 0.00 C +ATOM 822 CG MET A 51 6.955 7.791 -1.467 1.00 0.00 C +ATOM 823 SD MET A 51 6.187 6.572 -2.569 1.00 0.00 S +ATOM 824 CE MET A 51 4.550 6.545 -1.793 1.00 0.00 C +ATOM 825 H MET A 51 7.689 8.507 0.930 1.00 0.00 H +ATOM 826 HA MET A 51 7.695 10.411 -1.137 1.00 0.00 H +ATOM 827 HB2 MET A 51 5.399 8.616 -0.233 1.00 0.00 H +ATOM 828 HB3 MET A 51 5.532 9.369 -1.814 1.00 0.00 H +ATOM 829 HG2 MET A 51 7.815 8.195 -1.983 1.00 0.00 H +ATOM 830 HG3 MET A 51 7.316 7.262 -0.597 1.00 0.00 H +ATOM 831 HE1 MET A 51 4.661 6.460 -0.724 1.00 0.00 H +ATOM 832 HE2 MET A 51 4.025 7.457 -2.031 1.00 0.00 H +ATOM 833 HE3 MET A 51 3.989 5.699 -2.164 1.00 0.00 H +ATOM 834 N SER A 52 5.510 11.883 -0.877 1.00 0.00 N +ATOM 835 CA SER A 52 4.639 13.052 -0.547 1.00 0.00 C +ATOM 836 C SER A 52 3.197 12.606 -0.429 1.00 0.00 C +ATOM 837 O SER A 52 2.827 11.578 -0.953 1.00 0.00 O +ATOM 838 CB SER A 52 4.748 14.066 -1.699 1.00 0.00 C +ATOM 839 OG SER A 52 6.072 14.571 -1.594 1.00 0.00 O +ATOM 840 H SER A 52 5.594 11.590 -1.814 1.00 0.00 H +ATOM 841 HA SER A 52 4.954 13.501 0.396 1.00 0.00 H +ATOM 842 HB2 SER A 52 4.611 13.577 -2.655 1.00 0.00 H +ATOM 843 HB3 SER A 52 4.032 14.864 -1.577 1.00 0.00 H +ATOM 844 HG SER A 52 6.677 13.883 -1.883 1.00 0.00 H +ATOM 845 N ALA A 53 2.399 13.375 0.260 1.00 0.00 N +ATOM 846 CA ALA A 53 0.989 12.981 0.399 1.00 0.00 C +ATOM 847 C ALA A 53 0.350 12.834 -0.967 1.00 0.00 C +ATOM 848 O ALA A 53 -0.648 12.159 -1.119 1.00 0.00 O +ATOM 849 CB ALA A 53 0.246 14.052 1.184 1.00 0.00 C +ATOM 850 H ALA A 53 2.730 14.192 0.678 1.00 0.00 H +ATOM 851 HA ALA A 53 0.947 12.034 0.911 1.00 0.00 H +ATOM 852 HB1 ALA A 53 0.375 15.008 0.705 1.00 0.00 H +ATOM 853 HB2 ALA A 53 -0.806 13.809 1.220 1.00 0.00 H +ATOM 854 HB3 ALA A 53 0.636 14.099 2.188 1.00 0.00 H +ATOM 855 N LYS A 54 0.933 13.480 -1.944 1.00 0.00 N +ATOM 856 CA LYS A 54 0.372 13.385 -3.308 1.00 0.00 C +ATOM 857 C LYS A 54 0.454 11.948 -3.790 1.00 0.00 C +ATOM 858 O LYS A 54 -0.534 11.371 -4.215 1.00 0.00 O +ATOM 859 CB LYS A 54 1.194 14.278 -4.249 1.00 0.00 C +ATOM 860 CG LYS A 54 0.904 15.745 -3.930 1.00 0.00 C +ATOM 861 CD LYS A 54 1.892 16.641 -4.696 1.00 0.00 C +ATOM 862 CE LYS A 54 1.591 16.586 -6.207 1.00 0.00 C +ATOM 863 NZ LYS A 54 2.210 15.379 -6.819 1.00 0.00 N +ATOM 864 H LYS A 54 1.732 14.022 -1.772 1.00 0.00 H +ATOM 865 HA LYS A 54 -0.674 13.695 -3.285 1.00 0.00 H +ATOM 866 HB2 LYS A 54 2.247 14.076 -4.113 1.00 0.00 H +ATOM 867 HB3 LYS A 54 0.922 14.067 -5.272 1.00 0.00 H +ATOM 868 HG2 LYS A 54 -0.109 15.986 -4.217 1.00 0.00 H +ATOM 869 HG3 LYS A 54 1.016 15.910 -2.869 1.00 0.00 H +ATOM 870 HD2 LYS A 54 1.800 17.658 -4.348 1.00 0.00 H +ATOM 871 HD3 LYS A 54 2.901 16.299 -4.518 1.00 0.00 H +ATOM 872 HE2 LYS A 54 0.524 16.558 -6.370 1.00 0.00 H +ATOM 873 HE3 LYS A 54 1.995 17.466 -6.685 1.00 0.00 H +ATOM 874 HZ1 LYS A 54 2.969 15.027 -6.200 1.00 0.00 H +ATOM 875 HZ2 LYS A 54 1.487 14.640 -6.935 1.00 0.00 H +ATOM 876 HZ3 LYS A 54 2.605 15.625 -7.748 1.00 0.00 H +ATOM 877 N GLU A 55 1.634 11.381 -3.711 1.00 0.00 N +ATOM 878 CA GLU A 55 1.774 9.988 -4.163 1.00 0.00 C +ATOM 879 C GLU A 55 1.031 9.078 -3.209 1.00 0.00 C +ATOM 880 O GLU A 55 0.295 8.205 -3.618 1.00 0.00 O +ATOM 881 CB GLU A 55 3.264 9.619 -4.161 1.00 0.00 C +ATOM 882 CG GLU A 55 4.040 10.671 -4.957 1.00 0.00 C +ATOM 883 CD GLU A 55 5.469 10.180 -5.192 1.00 0.00 C +ATOM 884 OE1 GLU A 55 5.604 9.277 -6.002 1.00 0.00 O +ATOM 885 OE2 GLU A 55 6.344 10.735 -4.549 1.00 0.00 O +ATOM 886 H GLU A 55 2.413 11.875 -3.347 1.00 0.00 H +ATOM 887 HA GLU A 55 1.347 9.890 -5.160 1.00 0.00 H +ATOM 888 HB2 GLU A 55 3.628 9.589 -3.148 1.00 0.00 H +ATOM 889 HB3 GLU A 55 3.397 8.648 -4.617 1.00 0.00 H +ATOM 890 HG2 GLU A 55 3.560 10.839 -5.909 1.00 0.00 H +ATOM 891 HG3 GLU A 55 4.068 11.599 -4.404 1.00 0.00 H +ATOM 892 N LYS A 56 1.210 9.313 -1.943 1.00 0.00 N +ATOM 893 CA LYS A 56 0.518 8.468 -0.963 1.00 0.00 C +ATOM 894 C LYS A 56 -0.957 8.803 -1.010 1.00 0.00 C +ATOM 895 O LYS A 56 -1.759 8.212 -0.324 1.00 0.00 O +ATOM 896 CB LYS A 56 1.070 8.776 0.442 1.00 0.00 C +ATOM 897 CG LYS A 56 2.623 8.667 0.427 1.00 0.00 C +ATOM 898 CD LYS A 56 3.242 9.430 1.645 1.00 0.00 C +ATOM 899 CE LYS A 56 3.415 8.484 2.844 1.00 0.00 C +ATOM 900 NZ LYS A 56 2.095 8.156 3.450 1.00 0.00 N +ATOM 901 H LYS A 56 1.781 10.058 -1.643 1.00 0.00 H +ATOM 902 HA LYS A 56 0.663 7.422 -1.223 1.00 0.00 H +ATOM 903 HB2 LYS A 56 0.767 9.760 0.727 1.00 0.00 H +ATOM 904 HB3 LYS A 56 0.665 8.067 1.148 1.00 0.00 H +ATOM 905 HG2 LYS A 56 2.906 7.626 0.462 1.00 0.00 H +ATOM 906 HG3 LYS A 56 3.007 9.094 -0.484 1.00 0.00 H +ATOM 907 HD2 LYS A 56 4.205 9.820 1.366 1.00 0.00 H +ATOM 908 HD3 LYS A 56 2.610 10.257 1.928 1.00 0.00 H +ATOM 909 HE2 LYS A 56 3.898 7.573 2.526 1.00 0.00 H +ATOM 910 HE3 LYS A 56 4.034 8.964 3.589 1.00 0.00 H +ATOM 911 HZ1 LYS A 56 1.594 9.035 3.689 1.00 0.00 H +ATOM 912 HZ2 LYS A 56 1.528 7.609 2.771 1.00 0.00 H +ATOM 913 HZ3 LYS A 56 2.239 7.594 4.312 1.00 0.00 H +ATOM 914 N GLY A 57 -1.269 9.769 -1.845 1.00 0.00 N +ATOM 915 CA GLY A 57 -2.681 10.217 -2.007 1.00 0.00 C +ATOM 916 C GLY A 57 -3.468 9.233 -2.880 1.00 0.00 C +ATOM 917 O GLY A 57 -4.559 8.831 -2.530 1.00 0.00 O +ATOM 918 H GLY A 57 -0.566 10.202 -2.359 1.00 0.00 H +ATOM 919 HA2 GLY A 57 -3.144 10.290 -1.040 1.00 0.00 H +ATOM 920 HA3 GLY A 57 -2.690 11.188 -2.477 1.00 0.00 H +ATOM 921 N LYS A 58 -2.916 8.873 -4.012 1.00 0.00 N +ATOM 922 CA LYS A 58 -3.649 7.921 -4.879 1.00 0.00 C +ATOM 923 C LYS A 58 -3.717 6.573 -4.199 1.00 0.00 C +ATOM 924 O LYS A 58 -4.587 5.770 -4.470 1.00 0.00 O +ATOM 925 CB LYS A 58 -2.902 7.775 -6.211 1.00 0.00 C +ATOM 926 CG LYS A 58 -1.405 7.535 -5.937 1.00 0.00 C +ATOM 927 CD LYS A 58 -0.787 6.819 -7.119 1.00 0.00 C +ATOM 928 CE LYS A 58 0.711 6.667 -6.884 1.00 0.00 C +ATOM 929 NZ LYS A 58 1.392 6.225 -8.136 1.00 0.00 N +ATOM 930 H LYS A 58 -2.028 9.221 -4.278 1.00 0.00 H +ATOM 931 HA LYS A 58 -4.658 8.289 -5.034 1.00 0.00 H +ATOM 932 HB2 LYS A 58 -3.317 6.941 -6.765 1.00 0.00 H +ATOM 933 HB3 LYS A 58 -3.022 8.679 -6.795 1.00 0.00 H +ATOM 934 HG2 LYS A 58 -0.910 8.480 -5.790 1.00 0.00 H +ATOM 935 HG3 LYS A 58 -1.283 6.928 -5.058 1.00 0.00 H +ATOM 936 HD2 LYS A 58 -1.240 5.846 -7.221 1.00 0.00 H +ATOM 937 HD3 LYS A 58 -0.960 7.390 -8.012 1.00 0.00 H +ATOM 938 HE2 LYS A 58 1.126 7.613 -6.570 1.00 0.00 H +ATOM 939 HE3 LYS A 58 0.880 5.932 -6.110 1.00 0.00 H +ATOM 940 HZ1 LYS A 58 1.026 6.771 -8.941 1.00 0.00 H +ATOM 941 HZ2 LYS A 58 2.416 6.384 -8.049 1.00 0.00 H +ATOM 942 HZ3 LYS A 58 1.211 5.213 -8.292 1.00 0.00 H +ATOM 943 N PHE A 59 -2.783 6.355 -3.320 1.00 0.00 N +ATOM 944 CA PHE A 59 -2.747 5.069 -2.586 1.00 0.00 C +ATOM 945 C PHE A 59 -3.800 5.129 -1.508 1.00 0.00 C +ATOM 946 O PHE A 59 -4.311 4.124 -1.061 1.00 0.00 O +ATOM 947 CB PHE A 59 -1.354 4.895 -1.931 1.00 0.00 C +ATOM 948 CG PHE A 59 -0.373 4.266 -2.937 1.00 0.00 C +ATOM 949 CD1 PHE A 59 -0.607 3.007 -3.461 1.00 0.00 C +ATOM 950 CD2 PHE A 59 0.780 4.938 -3.314 1.00 0.00 C +ATOM 951 CE1 PHE A 59 0.292 2.436 -4.336 1.00 0.00 C +ATOM 952 CE2 PHE A 59 1.672 4.365 -4.188 1.00 0.00 C +ATOM 953 CZ PHE A 59 1.430 3.117 -4.701 1.00 0.00 C +ATOM 954 H PHE A 59 -2.124 7.050 -3.137 1.00 0.00 H +ATOM 955 HA PHE A 59 -2.974 4.252 -3.270 1.00 0.00 H +ATOM 956 HB2 PHE A 59 -0.981 5.852 -1.622 1.00 0.00 H +ATOM 957 HB3 PHE A 59 -1.430 4.250 -1.066 1.00 0.00 H +ATOM 958 HD1 PHE A 59 -1.495 2.469 -3.183 1.00 0.00 H +ATOM 959 HD2 PHE A 59 0.982 5.910 -2.916 1.00 0.00 H +ATOM 960 HE1 PHE A 59 0.109 1.451 -4.725 1.00 0.00 H +ATOM 961 HE2 PHE A 59 2.567 4.902 -4.471 1.00 0.00 H +ATOM 962 HZ PHE A 59 2.125 2.675 -5.398 1.00 0.00 H +ATOM 963 N GLU A 60 -4.094 6.333 -1.107 1.00 0.00 N +ATOM 964 CA GLU A 60 -5.107 6.533 -0.066 1.00 0.00 C +ATOM 965 C GLU A 60 -6.447 6.297 -0.703 1.00 0.00 C +ATOM 966 O GLU A 60 -7.408 5.950 -0.051 1.00 0.00 O +ATOM 967 CB GLU A 60 -4.997 8.016 0.433 1.00 0.00 C +ATOM 968 CG GLU A 60 -4.695 8.058 1.935 1.00 0.00 C +ATOM 969 CD GLU A 60 -5.814 7.349 2.706 1.00 0.00 C +ATOM 970 OE1 GLU A 60 -6.948 7.491 2.272 1.00 0.00 O +ATOM 971 OE2 GLU A 60 -5.473 6.706 3.686 1.00 0.00 O +ATOM 972 H GLU A 60 -3.653 7.106 -1.517 1.00 0.00 H +ATOM 973 HA GLU A 60 -4.956 5.816 0.737 1.00 0.00 H +ATOM 974 HB2 GLU A 60 -4.203 8.497 -0.092 1.00 0.00 H +ATOM 975 HB3 GLU A 60 -5.914 8.551 0.234 1.00 0.00 H +ATOM 976 HG2 GLU A 60 -3.752 7.566 2.130 1.00 0.00 H +ATOM 977 HG3 GLU A 60 -4.630 9.089 2.262 1.00 0.00 H +ATOM 978 N ASP A 61 -6.467 6.491 -1.993 1.00 0.00 N +ATOM 979 CA ASP A 61 -7.717 6.292 -2.750 1.00 0.00 C +ATOM 980 C ASP A 61 -7.903 4.817 -3.020 1.00 0.00 C +ATOM 981 O ASP A 61 -9.011 4.336 -3.143 1.00 0.00 O +ATOM 982 CB ASP A 61 -7.597 7.053 -4.078 1.00 0.00 C +ATOM 983 CG ASP A 61 -8.990 7.248 -4.679 1.00 0.00 C +ATOM 984 OD1 ASP A 61 -9.588 6.235 -5.001 1.00 0.00 O +ATOM 985 OD2 ASP A 61 -9.377 8.400 -4.779 1.00 0.00 O +ATOM 986 H ASP A 61 -5.634 6.765 -2.466 1.00 0.00 H +ATOM 987 HA ASP A 61 -8.564 6.656 -2.158 1.00 0.00 H +ATOM 988 HB2 ASP A 61 -7.144 8.018 -3.903 1.00 0.00 H +ATOM 989 HB3 ASP A 61 -6.981 6.492 -4.771 1.00 0.00 H +ATOM 990 N MET A 62 -6.800 4.120 -3.131 1.00 0.00 N +ATOM 991 CA MET A 62 -6.880 2.681 -3.387 1.00 0.00 C +ATOM 992 C MET A 62 -7.290 1.983 -2.115 1.00 0.00 C +ATOM 993 O MET A 62 -8.179 1.163 -2.116 1.00 0.00 O +ATOM 994 CB MET A 62 -5.493 2.184 -3.845 1.00 0.00 C +ATOM 995 CG MET A 62 -5.243 2.591 -5.336 1.00 0.00 C +ATOM 996 SD MET A 62 -3.650 3.348 -5.726 1.00 0.00 S +ATOM 997 CE MET A 62 -2.696 1.819 -5.809 1.00 0.00 C +ATOM 998 H MET A 62 -5.933 4.552 -3.053 1.00 0.00 H +ATOM 999 HA MET A 62 -7.627 2.500 -4.140 1.00 0.00 H +ATOM 1000 HB2 MET A 62 -4.729 2.627 -3.220 1.00 0.00 H +ATOM 1001 HB3 MET A 62 -5.445 1.105 -3.744 1.00 0.00 H +ATOM 1002 HG2 MET A 62 -5.343 1.706 -5.954 1.00 0.00 H +ATOM 1003 HG3 MET A 62 -6.010 3.289 -5.646 1.00 0.00 H +ATOM 1004 HE1 MET A 62 -3.129 1.162 -6.548 1.00 0.00 H +ATOM 1005 HE2 MET A 62 -1.680 2.047 -6.083 1.00 0.00 H +ATOM 1006 HE3 MET A 62 -2.711 1.336 -4.844 1.00 0.00 H +ATOM 1007 N ALA A 63 -6.626 2.311 -1.043 1.00 0.00 N +ATOM 1008 CA ALA A 63 -6.985 1.671 0.229 1.00 0.00 C +ATOM 1009 C ALA A 63 -8.439 1.989 0.533 1.00 0.00 C +ATOM 1010 O ALA A 63 -9.127 1.228 1.186 1.00 0.00 O +ATOM 1011 CB ALA A 63 -6.090 2.245 1.342 1.00 0.00 C +ATOM 1012 H ALA A 63 -5.891 2.957 -1.087 1.00 0.00 H +ATOM 1013 HA ALA A 63 -6.863 0.590 0.137 1.00 0.00 H +ATOM 1014 HB1 ALA A 63 -5.919 3.297 1.166 1.00 0.00 H +ATOM 1015 HB2 ALA A 63 -6.567 2.119 2.305 1.00 0.00 H +ATOM 1016 HB3 ALA A 63 -5.148 1.727 1.346 1.00 0.00 H +ATOM 1017 N LYS A 64 -8.884 3.126 0.043 1.00 0.00 N +ATOM 1018 CA LYS A 64 -10.280 3.520 0.284 1.00 0.00 C +ATOM 1019 C LYS A 64 -11.190 2.680 -0.586 1.00 0.00 C +ATOM 1020 O LYS A 64 -12.282 2.319 -0.191 1.00 0.00 O +ATOM 1021 CB LYS A 64 -10.458 5.003 -0.081 1.00 0.00 C +ATOM 1022 CG LYS A 64 -11.924 5.400 0.150 1.00 0.00 C +ATOM 1023 CD LYS A 64 -12.044 6.931 0.205 1.00 0.00 C +ATOM 1024 CE LYS A 64 -11.828 7.511 -1.194 1.00 0.00 C +ATOM 1025 NZ LYS A 64 -12.158 8.962 -1.209 1.00 0.00 N +ATOM 1026 H LYS A 64 -8.297 3.702 -0.482 1.00 0.00 H +ATOM 1027 HA LYS A 64 -10.521 3.347 1.323 1.00 0.00 H +ATOM 1028 HB2 LYS A 64 -9.815 5.604 0.539 1.00 0.00 H +ATOM 1029 HB3 LYS A 64 -10.200 5.156 -1.113 1.00 0.00 H +ATOM 1030 HG2 LYS A 64 -12.531 5.018 -0.657 1.00 0.00 H +ATOM 1031 HG3 LYS A 64 -12.271 4.979 1.082 1.00 0.00 H +ATOM 1032 HD2 LYS A 64 -13.027 7.202 0.559 1.00 0.00 H +ATOM 1033 HD3 LYS A 64 -11.306 7.333 0.884 1.00 0.00 H +ATOM 1034 HE2 LYS A 64 -10.796 7.384 -1.484 1.00 0.00 H +ATOM 1035 HE3 LYS A 64 -12.461 6.997 -1.903 1.00 0.00 H +ATOM 1036 HZ1 LYS A 64 -12.718 9.198 -0.363 1.00 0.00 H +ATOM 1037 HZ2 LYS A 64 -11.280 9.518 -1.210 1.00 0.00 H +ATOM 1038 HZ3 LYS A 64 -12.710 9.184 -2.061 1.00 0.00 H +ATOM 1039 N ALA A 65 -10.721 2.369 -1.766 1.00 0.00 N +ATOM 1040 CA ALA A 65 -11.542 1.559 -2.660 1.00 0.00 C +ATOM 1041 C ALA A 65 -11.635 0.171 -2.099 1.00 0.00 C +ATOM 1042 O ALA A 65 -12.639 -0.493 -2.225 1.00 0.00 O +ATOM 1043 CB ALA A 65 -10.886 1.510 -4.048 1.00 0.00 C +ATOM 1044 H ALA A 65 -9.840 2.667 -2.042 1.00 0.00 H +ATOM 1045 HA ALA A 65 -12.521 1.983 -2.705 1.00 0.00 H +ATOM 1046 HB1 ALA A 65 -9.876 1.143 -3.965 1.00 0.00 H +ATOM 1047 HB2 ALA A 65 -11.450 0.852 -4.693 1.00 0.00 H +ATOM 1048 HB3 ALA A 65 -10.870 2.500 -4.479 1.00 0.00 H +ATOM 1049 N ASP A 66 -10.576 -0.239 -1.469 1.00 0.00 N +ATOM 1050 CA ASP A 66 -10.563 -1.580 -0.878 1.00 0.00 C +ATOM 1051 C ASP A 66 -11.481 -1.586 0.319 1.00 0.00 C +ATOM 1052 O ASP A 66 -12.073 -2.591 0.656 1.00 0.00 O +ATOM 1053 CB ASP A 66 -9.129 -1.909 -0.423 1.00 0.00 C +ATOM 1054 CG ASP A 66 -9.023 -3.405 -0.131 1.00 0.00 C +ATOM 1055 OD1 ASP A 66 -8.791 -4.129 -1.085 1.00 0.00 O +ATOM 1056 OD2 ASP A 66 -9.179 -3.740 1.031 1.00 0.00 O +ATOM 1057 H ASP A 66 -9.801 0.345 -1.385 1.00 0.00 H +ATOM 1058 HA ASP A 66 -10.921 -2.298 -1.613 1.00 0.00 H +ATOM 1059 HB2 ASP A 66 -8.431 -1.650 -1.203 1.00 0.00 H +ATOM 1060 HB3 ASP A 66 -8.888 -1.353 0.472 1.00 0.00 H +ATOM 1061 N LYS A 67 -11.579 -0.445 0.951 1.00 0.00 N +ATOM 1062 CA LYS A 67 -12.450 -0.344 2.128 1.00 0.00 C +ATOM 1063 C LYS A 67 -13.862 -0.751 1.744 1.00 0.00 C +ATOM 1064 O LYS A 67 -14.570 -1.360 2.517 1.00 0.00 O +ATOM 1065 CB LYS A 67 -12.448 1.125 2.620 1.00 0.00 C +ATOM 1066 CG LYS A 67 -12.808 1.165 4.106 1.00 0.00 C +ATOM 1067 CD LYS A 67 -13.095 2.612 4.509 1.00 0.00 C +ATOM 1068 CE LYS A 67 -13.121 2.713 6.036 1.00 0.00 C +ATOM 1069 NZ LYS A 67 -13.438 4.107 6.461 1.00 0.00 N +ATOM 1070 H LYS A 67 -11.069 0.329 0.648 1.00 0.00 H +ATOM 1071 HA LYS A 67 -12.083 -1.014 2.894 1.00 0.00 H +ATOM 1072 HB2 LYS A 67 -11.465 1.549 2.479 1.00 0.00 H +ATOM 1073 HB3 LYS A 67 -13.167 1.705 2.061 1.00 0.00 H +ATOM 1074 HG2 LYS A 67 -13.683 0.558 4.285 1.00 0.00 H +ATOM 1075 HG3 LYS A 67 -11.985 0.784 4.689 1.00 0.00 H +ATOM 1076 HD2 LYS A 67 -12.325 3.260 4.117 1.00 0.00 H +ATOM 1077 HD3 LYS A 67 -14.052 2.918 4.108 1.00 0.00 H +ATOM 1078 HE2 LYS A 67 -13.871 2.044 6.430 1.00 0.00 H +ATOM 1079 HE3 LYS A 67 -12.156 2.435 6.433 1.00 0.00 H +ATOM 1080 HZ1 LYS A 67 -13.350 4.746 5.646 1.00 0.00 H +ATOM 1081 HZ2 LYS A 67 -14.411 4.143 6.827 1.00 0.00 H +ATOM 1082 HZ3 LYS A 67 -12.775 4.401 7.206 1.00 0.00 H +ATOM 1083 N ALA A 68 -14.251 -0.398 0.540 1.00 0.00 N +ATOM 1084 CA ALA A 68 -15.607 -0.758 0.088 1.00 0.00 C +ATOM 1085 C ALA A 68 -15.690 -2.238 -0.227 1.00 0.00 C +ATOM 1086 O ALA A 68 -16.707 -2.867 -0.006 1.00 0.00 O +ATOM 1087 CB ALA A 68 -15.933 0.046 -1.182 1.00 0.00 C +ATOM 1088 H ALA A 68 -13.653 0.113 -0.048 1.00 0.00 H +ATOM 1089 HA ALA A 68 -16.303 -0.534 0.878 1.00 0.00 H +ATOM 1090 HB1 ALA A 68 -15.653 1.080 -1.041 1.00 0.00 H +ATOM 1091 HB2 ALA A 68 -15.385 -0.360 -2.019 1.00 0.00 H +ATOM 1092 HB3 ALA A 68 -16.991 -0.011 -1.388 1.00 0.00 H +ATOM 1093 N ARG A 69 -14.621 -2.771 -0.736 1.00 0.00 N +ATOM 1094 CA ARG A 69 -14.624 -4.217 -1.069 1.00 0.00 C +ATOM 1095 C ARG A 69 -14.733 -5.038 0.205 1.00 0.00 C +ATOM 1096 O ARG A 69 -15.363 -6.074 0.230 1.00 0.00 O +ATOM 1097 CB ARG A 69 -13.300 -4.576 -1.772 1.00 0.00 C +ATOM 1098 CG ARG A 69 -13.208 -3.831 -3.117 1.00 0.00 C +ATOM 1099 CD ARG A 69 -14.314 -4.326 -4.085 1.00 0.00 C +ATOM 1100 NE ARG A 69 -15.405 -3.310 -4.115 1.00 0.00 N +ATOM 1101 CZ ARG A 69 -16.382 -3.446 -4.967 1.00 0.00 C +ATOM 1102 NH1 ARG A 69 -16.382 -4.470 -5.774 1.00 0.00 N +ATOM 1103 NH2 ARG A 69 -17.329 -2.547 -4.985 1.00 0.00 N +ATOM 1104 H ARG A 69 -13.828 -2.223 -0.893 1.00 0.00 H +ATOM 1105 HA ARG A 69 -15.478 -4.434 -1.707 1.00 0.00 H +ATOM 1106 HB2 ARG A 69 -12.467 -4.296 -1.147 1.00 0.00 H +ATOM 1107 HB3 ARG A 69 -13.263 -5.642 -1.948 1.00 0.00 H +ATOM 1108 HG2 ARG A 69 -13.332 -2.777 -2.947 1.00 0.00 H +ATOM 1109 HG3 ARG A 69 -12.234 -4.002 -3.555 1.00 0.00 H +ATOM 1110 HD2 ARG A 69 -13.908 -4.439 -5.082 1.00 0.00 H +ATOM 1111 HD3 ARG A 69 -14.718 -5.275 -3.756 1.00 0.00 H +ATOM 1112 HE ARG A 69 -15.385 -2.546 -3.503 1.00 0.00 H +ATOM 1113 HH11 ARG A 69 -15.639 -5.139 -5.733 1.00 0.00 H +ATOM 1114 HH12 ARG A 69 -17.125 -4.590 -6.431 1.00 0.00 H +ATOM 1115 HH21 ARG A 69 -17.295 -1.773 -4.353 1.00 0.00 H +ATOM 1116 HH22 ARG A 69 -18.089 -2.634 -5.628 1.00 0.00 H +ATOM 1117 N TYR A 70 -14.114 -4.551 1.246 1.00 0.00 N +ATOM 1118 CA TYR A 70 -14.164 -5.282 2.532 1.00 0.00 C +ATOM 1119 C TYR A 70 -15.603 -5.453 2.994 1.00 0.00 C +ATOM 1120 O TYR A 70 -15.992 -6.519 3.420 1.00 0.00 O +ATOM 1121 CB TYR A 70 -13.397 -4.460 3.584 1.00 0.00 C +ATOM 1122 CG TYR A 70 -13.493 -5.154 4.947 1.00 0.00 C +ATOM 1123 CD1 TYR A 70 -14.580 -4.937 5.771 1.00 0.00 C +ATOM 1124 CD2 TYR A 70 -12.489 -6.000 5.375 1.00 0.00 C +ATOM 1125 CE1 TYR A 70 -14.661 -5.555 7.000 1.00 0.00 C +ATOM 1126 CE2 TYR A 70 -12.572 -6.618 6.607 1.00 0.00 C +ATOM 1127 CZ TYR A 70 -13.659 -6.401 7.427 1.00 0.00 C +ATOM 1128 OH TYR A 70 -13.740 -7.018 8.658 1.00 0.00 O +ATOM 1129 H TYR A 70 -13.622 -3.709 1.177 1.00 0.00 H +ATOM 1130 HA TYR A 70 -13.710 -6.262 2.401 1.00 0.00 H +ATOM 1131 HB2 TYR A 70 -12.358 -4.378 3.298 1.00 0.00 H +ATOM 1132 HB3 TYR A 70 -13.824 -3.472 3.659 1.00 0.00 H +ATOM 1133 HD1 TYR A 70 -15.373 -4.278 5.448 1.00 0.00 H +ATOM 1134 HD2 TYR A 70 -11.633 -6.181 4.742 1.00 0.00 H +ATOM 1135 HE1 TYR A 70 -15.516 -5.376 7.636 1.00 0.00 H +ATOM 1136 HE2 TYR A 70 -11.779 -7.278 6.930 1.00 0.00 H +ATOM 1137 HH TYR A 70 -13.502 -7.942 8.545 1.00 0.00 H +ATOM 1138 N GLU A 71 -16.371 -4.397 2.896 1.00 0.00 N +ATOM 1139 CA GLU A 71 -17.782 -4.482 3.324 1.00 0.00 C +ATOM 1140 C GLU A 71 -18.616 -5.239 2.303 1.00 0.00 C +ATOM 1141 O GLU A 71 -19.644 -5.800 2.626 1.00 0.00 O +ATOM 1142 CB GLU A 71 -18.325 -3.057 3.444 1.00 0.00 C +ATOM 1143 CG GLU A 71 -17.424 -2.269 4.389 1.00 0.00 C +ATOM 1144 CD GLU A 71 -17.983 -0.856 4.570 1.00 0.00 C +ATOM 1145 OE1 GLU A 71 -19.156 -0.774 4.898 1.00 0.00 O +ATOM 1146 OE2 GLU A 71 -17.205 0.064 4.372 1.00 0.00 O +ATOM 1147 H GLU A 71 -16.015 -3.556 2.547 1.00 0.00 H +ATOM 1148 HA GLU A 71 -17.830 -4.993 4.274 1.00 0.00 H +ATOM 1149 HB2 GLU A 71 -18.331 -2.585 2.472 1.00 0.00 H +ATOM 1150 HB3 GLU A 71 -19.330 -3.081 3.835 1.00 0.00 H +ATOM 1151 HG2 GLU A 71 -17.385 -2.764 5.347 1.00 0.00 H +ATOM 1152 HG3 GLU A 71 -16.428 -2.212 3.976 1.00 0.00 H +ATOM 1153 N ARG A 72 -18.153 -5.241 1.088 1.00 0.00 N +ATOM 1154 CA ARG A 72 -18.898 -5.954 0.013 1.00 0.00 C +ATOM 1155 C ARG A 72 -18.666 -7.462 0.060 1.00 0.00 C +ATOM 1156 O ARG A 72 -19.464 -8.230 -0.441 1.00 0.00 O +ATOM 1157 CB ARG A 72 -18.401 -5.423 -1.334 1.00 0.00 C +ATOM 1158 CG ARG A 72 -19.410 -5.793 -2.417 1.00 0.00 C +ATOM 1159 CD ARG A 72 -18.992 -5.133 -3.713 1.00 0.00 C +ATOM 1160 NE ARG A 72 -18.959 -3.657 -3.512 1.00 0.00 N +ATOM 1161 CZ ARG A 72 -20.079 -2.987 -3.496 1.00 0.00 C +ATOM 1162 NH1 ARG A 72 -21.203 -3.633 -3.657 1.00 0.00 N +ATOM 1163 NH2 ARG A 72 -20.037 -1.696 -3.324 1.00 0.00 N +ATOM 1164 H ARG A 72 -17.317 -4.768 0.881 1.00 0.00 H +ATOM 1165 HA ARG A 72 -19.954 -5.762 0.128 1.00 0.00 H +ATOM 1166 HB2 ARG A 72 -18.302 -4.349 -1.285 1.00 0.00 H +ATOM 1167 HB3 ARG A 72 -17.439 -5.857 -1.570 1.00 0.00 H +ATOM 1168 HG2 ARG A 72 -19.433 -6.862 -2.546 1.00 0.00 H +ATOM 1169 HG3 ARG A 72 -20.393 -5.446 -2.136 1.00 0.00 H +ATOM 1170 HD2 ARG A 72 -18.011 -5.477 -3.996 1.00 0.00 H +ATOM 1171 HD3 ARG A 72 -19.699 -5.373 -4.490 1.00 0.00 H +ATOM 1172 HE ARG A 72 -18.104 -3.195 -3.389 1.00 0.00 H +ATOM 1173 HH11 ARG A 72 -21.197 -4.624 -3.789 1.00 0.00 H +ATOM 1174 HH12 ARG A 72 -22.070 -3.135 -3.650 1.00 0.00 H +ATOM 1175 HH21 ARG A 72 -19.157 -1.236 -3.208 1.00 0.00 H +ATOM 1176 HH22 ARG A 72 -20.884 -1.166 -3.310 1.00 0.00 H +ATOM 1177 N GLU A 73 -17.585 -7.859 0.667 1.00 0.00 N +ATOM 1178 CA GLU A 73 -17.281 -9.316 0.757 1.00 0.00 C +ATOM 1179 C GLU A 73 -18.094 -9.988 1.863 1.00 0.00 C +ATOM 1180 O GLU A 73 -18.395 -11.161 1.783 1.00 0.00 O +ATOM 1181 CB GLU A 73 -15.778 -9.475 1.071 1.00 0.00 C +ATOM 1182 CG GLU A 73 -14.976 -9.276 -0.217 1.00 0.00 C +ATOM 1183 CD GLU A 73 -13.497 -9.108 0.131 1.00 0.00 C +ATOM 1184 OE1 GLU A 73 -12.951 -10.070 0.645 1.00 0.00 O +ATOM 1185 OE2 GLU A 73 -12.998 -8.028 -0.135 1.00 0.00 O +ATOM 1186 H GLU A 73 -16.986 -7.204 1.074 1.00 0.00 H +ATOM 1187 HA GLU A 73 -17.526 -9.789 -0.196 1.00 0.00 H +ATOM 1188 HB2 GLU A 73 -15.480 -8.736 1.802 1.00 0.00 H +ATOM 1189 HB3 GLU A 73 -15.586 -10.461 1.464 1.00 0.00 H +ATOM 1190 HG2 GLU A 73 -15.095 -10.135 -0.857 1.00 0.00 H +ATOM 1191 HG3 GLU A 73 -15.323 -8.395 -0.733 1.00 0.00 H +ATOM 1192 N MET A 74 -18.433 -9.236 2.873 1.00 0.00 N +ATOM 1193 CA MET A 74 -19.220 -9.829 3.974 1.00 0.00 C +ATOM 1194 C MET A 74 -20.588 -10.289 3.487 1.00 0.00 C +ATOM 1195 O MET A 74 -21.282 -11.013 4.173 1.00 0.00 O +ATOM 1196 CB MET A 74 -19.418 -8.765 5.069 1.00 0.00 C +ATOM 1197 CG MET A 74 -18.054 -8.145 5.424 1.00 0.00 C +ATOM 1198 SD MET A 74 -16.586 -9.182 5.200 1.00 0.00 S +ATOM 1199 CE MET A 74 -16.608 -9.961 6.832 1.00 0.00 C +ATOM 1200 H MET A 74 -18.167 -8.300 2.905 1.00 0.00 H +ATOM 1201 HA MET A 74 -18.680 -10.679 4.359 1.00 0.00 H +ATOM 1202 HB2 MET A 74 -20.092 -7.997 4.712 1.00 0.00 H +ATOM 1203 HB3 MET A 74 -19.847 -9.230 5.945 1.00 0.00 H +ATOM 1204 HG2 MET A 74 -17.919 -7.260 4.825 1.00 0.00 H +ATOM 1205 HG3 MET A 74 -18.079 -7.835 6.461 1.00 0.00 H +ATOM 1206 HE1 MET A 74 -17.585 -10.379 7.020 1.00 0.00 H +ATOM 1207 HE2 MET A 74 -15.869 -10.749 6.864 1.00 0.00 H +ATOM 1208 HE3 MET A 74 -16.379 -9.224 7.586 1.00 0.00 H +ATOM 1209 N LYS A 75 -20.949 -9.863 2.311 1.00 0.00 N +ATOM 1210 CA LYS A 75 -22.263 -10.261 1.763 1.00 0.00 C +ATOM 1211 C LYS A 75 -22.251 -11.704 1.270 1.00 0.00 C +ATOM 1212 O LYS A 75 -23.234 -12.166 0.719 1.00 0.00 O +ATOM 1213 CB LYS A 75 -22.590 -9.355 0.560 1.00 0.00 C +ATOM 1214 CG LYS A 75 -22.803 -7.906 1.036 1.00 0.00 C +ATOM 1215 CD LYS A 75 -23.621 -7.142 -0.018 1.00 0.00 C +ATOM 1216 CE LYS A 75 -22.932 -7.263 -1.380 1.00 0.00 C +ATOM 1217 NZ LYS A 75 -23.500 -6.275 -2.339 1.00 0.00 N +ATOM 1218 H LYS A 75 -20.363 -9.282 1.801 1.00 0.00 H +ATOM 1219 HA LYS A 75 -23.009 -10.157 2.537 1.00 0.00 H +ATOM 1220 HB2 LYS A 75 -21.774 -9.385 -0.146 1.00 0.00 H +ATOM 1221 HB3 LYS A 75 -23.488 -9.716 0.076 1.00 0.00 H +ATOM 1222 HG2 LYS A 75 -23.335 -7.905 1.976 1.00 0.00 H +ATOM 1223 HG3 LYS A 75 -21.846 -7.426 1.171 1.00 0.00 H +ATOM 1224 HD2 LYS A 75 -24.615 -7.559 -0.077 1.00 0.00 H +ATOM 1225 HD3 LYS A 75 -23.690 -6.100 0.261 1.00 0.00 H +ATOM 1226 HE2 LYS A 75 -21.873 -7.079 -1.269 1.00 0.00 H +ATOM 1227 HE3 LYS A 75 -23.077 -8.259 -1.771 1.00 0.00 H +ATOM 1228 HZ1 LYS A 75 -23.447 -5.322 -1.929 1.00 0.00 H +ATOM 1229 HZ2 LYS A 75 -22.957 -6.302 -3.226 1.00 0.00 H +ATOM 1230 HZ3 LYS A 75 -24.493 -6.514 -2.535 1.00 0.00 H +ATOM 1231 N THR A 76 -21.133 -12.394 1.469 1.00 0.00 N +ATOM 1232 CA THR A 76 -21.040 -13.827 1.008 1.00 0.00 C +ATOM 1233 C THR A 76 -20.168 -14.677 1.931 1.00 0.00 C +ATOM 1234 O THR A 76 -20.097 -15.880 1.770 1.00 0.00 O +ATOM 1235 CB THR A 76 -20.396 -13.834 -0.386 1.00 0.00 C +ATOM 1236 OG1 THR A 76 -19.113 -13.272 -0.205 1.00 0.00 O +ATOM 1237 CG2 THR A 76 -21.111 -12.857 -1.333 1.00 0.00 C +ATOM 1238 H THR A 76 -20.370 -11.972 1.910 1.00 0.00 H +ATOM 1239 HA THR A 76 -22.034 -14.269 0.974 1.00 0.00 H +ATOM 1240 HB THR A 76 -20.325 -14.840 -0.792 1.00 0.00 H +ATOM 1241 HG1 THR A 76 -19.021 -13.034 0.720 1.00 0.00 H +ATOM 1242 HG21 THR A 76 -22.166 -13.082 -1.361 1.00 0.00 H +ATOM 1243 HG22 THR A 76 -20.970 -11.845 -0.988 1.00 0.00 H +ATOM 1244 HG23 THR A 76 -20.700 -12.952 -2.327 1.00 0.00 H +ATOM 1245 N TYR A 77 -19.519 -14.059 2.882 1.00 0.00 N +ATOM 1246 CA TYR A 77 -18.662 -14.858 3.794 1.00 0.00 C +ATOM 1247 C TYR A 77 -19.525 -15.714 4.727 1.00 0.00 C +ATOM 1248 O TYR A 77 -19.923 -16.790 4.357 1.00 0.00 O +ATOM 1249 CB TYR A 77 -17.780 -13.893 4.619 1.00 0.00 C +ATOM 1250 CG TYR A 77 -16.852 -14.701 5.544 1.00 0.00 C +ATOM 1251 CD1 TYR A 77 -15.992 -15.663 5.028 1.00 0.00 C +ATOM 1252 CD2 TYR A 77 -16.873 -14.497 6.908 1.00 0.00 C +ATOM 1253 CE1 TYR A 77 -15.183 -16.399 5.866 1.00 0.00 C +ATOM 1254 CE2 TYR A 77 -16.059 -15.235 7.741 1.00 0.00 C +ATOM 1255 CZ TYR A 77 -15.213 -16.192 7.228 1.00 0.00 C +ATOM 1256 OH TYR A 77 -14.428 -16.952 8.067 1.00 0.00 O +ATOM 1257 H TYR A 77 -19.601 -13.091 2.995 1.00 0.00 H +ATOM 1258 HA TYR A 77 -18.047 -15.518 3.190 1.00 0.00 H +ATOM 1259 HB2 TYR A 77 -17.179 -13.294 3.953 1.00 0.00 H +ATOM 1260 HB3 TYR A 77 -18.404 -13.244 5.213 1.00 0.00 H +ATOM 1261 HD1 TYR A 77 -15.935 -15.821 3.965 1.00 0.00 H +ATOM 1262 HD2 TYR A 77 -17.531 -13.749 7.328 1.00 0.00 H +ATOM 1263 HE1 TYR A 77 -14.521 -17.145 5.451 1.00 0.00 H +ATOM 1264 HE2 TYR A 77 -16.081 -15.053 8.802 1.00 0.00 H +ATOM 1265 HH TYR A 77 -15.011 -17.477 8.623 1.00 0.00 H +ATOM 1266 N ILE A 78 -19.804 -15.199 5.913 1.00 0.00 N +ATOM 1267 CA ILE A 78 -20.647 -15.954 6.909 1.00 0.00 C +ATOM 1268 C ILE A 78 -20.193 -17.450 7.073 1.00 0.00 C +ATOM 1269 O ILE A 78 -20.626 -18.315 6.332 1.00 0.00 O +ATOM 1270 CB ILE A 78 -22.096 -15.932 6.410 1.00 0.00 C +ATOM 1271 CG1 ILE A 78 -22.591 -14.470 6.297 1.00 0.00 C +ATOM 1272 CG2 ILE A 78 -22.979 -16.665 7.451 1.00 0.00 C +ATOM 1273 CD1 ILE A 78 -21.991 -13.775 5.044 1.00 0.00 C +ATOM 1274 H ILE A 78 -19.479 -14.314 6.138 1.00 0.00 H +ATOM 1275 HA ILE A 78 -20.584 -15.444 7.860 1.00 0.00 H +ATOM 1276 HB ILE A 78 -22.151 -16.415 5.441 1.00 0.00 H +ATOM 1277 HG12 ILE A 78 -23.668 -14.461 6.228 1.00 0.00 H +ATOM 1278 HG13 ILE A 78 -22.297 -13.925 7.185 1.00 0.00 H +ATOM 1279 HG21 ILE A 78 -22.777 -16.275 8.437 1.00 0.00 H +ATOM 1280 HG22 ILE A 78 -24.023 -16.516 7.218 1.00 0.00 H +ATOM 1281 HG23 ILE A 78 -22.765 -17.720 7.437 1.00 0.00 H +ATOM 1282 HD11 ILE A 78 -21.783 -14.499 4.271 1.00 0.00 H +ATOM 1283 HD12 ILE A 78 -22.692 -13.047 4.662 1.00 0.00 H +ATOM 1284 HD13 ILE A 78 -21.074 -13.268 5.309 1.00 0.00 H +ATOM 1285 N PRO A 79 -19.350 -17.742 8.076 1.00 0.00 N +ATOM 1286 CA PRO A 79 -18.882 -19.117 8.284 1.00 0.00 C +ATOM 1287 C PRO A 79 -20.039 -20.042 8.746 1.00 0.00 C +ATOM 1288 O PRO A 79 -21.115 -19.573 9.061 1.00 0.00 O +ATOM 1289 CB PRO A 79 -17.798 -19.005 9.407 1.00 0.00 C +ATOM 1290 CG PRO A 79 -17.763 -17.507 9.869 1.00 0.00 C +ATOM 1291 CD PRO A 79 -18.837 -16.752 9.043 1.00 0.00 C +ATOM 1292 HA PRO A 79 -18.456 -19.482 7.361 1.00 0.00 H +ATOM 1293 HB2 PRO A 79 -18.047 -19.645 10.247 1.00 0.00 H +ATOM 1294 HB3 PRO A 79 -16.831 -19.294 9.015 1.00 0.00 H +ATOM 1295 HG2 PRO A 79 -17.990 -17.439 10.928 1.00 0.00 H +ATOM 1296 HG3 PRO A 79 -16.785 -17.085 9.685 1.00 0.00 H +ATOM 1297 HD2 PRO A 79 -19.640 -16.417 9.689 1.00 0.00 H +ATOM 1298 HD3 PRO A 79 -18.404 -15.915 8.523 1.00 0.00 H +ATOM 1299 N PRO A 80 -19.782 -21.356 8.762 1.00 0.00 N +ATOM 1300 CA PRO A 80 -20.794 -22.322 9.182 1.00 0.00 C +ATOM 1301 C PRO A 80 -21.122 -22.151 10.672 1.00 0.00 C +ATOM 1302 O PRO A 80 -20.890 -21.107 11.249 1.00 0.00 O +ATOM 1303 CB PRO A 80 -20.147 -23.727 8.921 1.00 0.00 C +ATOM 1304 CG PRO A 80 -18.664 -23.476 8.498 1.00 0.00 C +ATOM 1305 CD PRO A 80 -18.490 -21.942 8.345 1.00 0.00 C +ATOM 1306 HA PRO A 80 -21.697 -22.189 8.594 1.00 0.00 H +ATOM 1307 HB2 PRO A 80 -20.178 -24.342 9.811 1.00 0.00 H +ATOM 1308 HB3 PRO A 80 -20.679 -24.232 8.121 1.00 0.00 H +ATOM 1309 HG2 PRO A 80 -17.991 -23.854 9.257 1.00 0.00 H +ATOM 1310 HG3 PRO A 80 -18.456 -23.972 7.555 1.00 0.00 H +ATOM 1311 HD2 PRO A 80 -17.698 -21.582 8.982 1.00 0.00 H +ATOM 1312 HD3 PRO A 80 -18.285 -21.697 7.317 1.00 0.00 H +ATOM 1313 N LYS A 81 -21.651 -23.185 11.252 1.00 0.00 N +ATOM 1314 CA LYS A 81 -22.007 -23.132 12.691 1.00 0.00 C +ATOM 1315 C LYS A 81 -20.779 -23.331 13.578 1.00 0.00 C +ATOM 1316 O LYS A 81 -20.834 -24.019 14.578 1.00 0.00 O +ATOM 1317 CB LYS A 81 -23.016 -24.258 12.976 1.00 0.00 C +ATOM 1318 CG LYS A 81 -24.278 -24.016 12.145 1.00 0.00 C +ATOM 1319 CD LYS A 81 -25.218 -25.215 12.295 1.00 0.00 C +ATOM 1320 CE LYS A 81 -26.581 -24.866 11.692 1.00 0.00 C +ATOM 1321 NZ LYS A 81 -27.577 -25.929 12.005 1.00 0.00 N +ATOM 1322 H LYS A 81 -21.814 -23.989 10.741 1.00 0.00 H +ATOM 1323 HA LYS A 81 -22.441 -22.168 12.905 1.00 0.00 H +ATOM 1324 HB2 LYS A 81 -22.584 -25.212 12.711 1.00 0.00 H +ATOM 1325 HB3 LYS A 81 -23.271 -24.263 14.026 1.00 0.00 H +ATOM 1326 HG2 LYS A 81 -24.771 -23.120 12.491 1.00 0.00 H +ATOM 1327 HG3 LYS A 81 -24.008 -23.893 11.106 1.00 0.00 H +ATOM 1328 HD2 LYS A 81 -24.801 -26.070 11.782 1.00 0.00 H +ATOM 1329 HD3 LYS A 81 -25.335 -25.455 13.342 1.00 0.00 H +ATOM 1330 HE2 LYS A 81 -26.929 -23.928 12.099 1.00 0.00 H +ATOM 1331 HE3 LYS A 81 -26.488 -24.773 10.620 1.00 0.00 H +ATOM 1332 HZ1 LYS A 81 -27.673 -26.020 13.035 1.00 0.00 H +ATOM 1333 HZ2 LYS A 81 -28.496 -25.673 11.591 1.00 0.00 H +ATOM 1334 HZ3 LYS A 81 -27.256 -26.833 11.605 1.00 0.00 H +ATOM 1335 N GLY A 82 -19.693 -22.723 13.196 1.00 0.00 N +ATOM 1336 CA GLY A 82 -18.448 -22.865 14.009 1.00 0.00 C +ATOM 1337 C GLY A 82 -17.847 -24.267 13.849 1.00 0.00 C +ATOM 1338 O GLY A 82 -16.667 -24.463 14.058 1.00 0.00 O +ATOM 1339 H GLY A 82 -19.695 -22.177 12.387 1.00 0.00 H +ATOM 1340 HA2 GLY A 82 -17.726 -22.131 13.684 1.00 0.00 H +ATOM 1341 HA3 GLY A 82 -18.680 -22.696 15.050 1.00 0.00 H +ATOM 1342 N GLU A 83 -18.672 -25.213 13.487 1.00 0.00 N +ATOM 1343 CA GLU A 83 -18.164 -26.599 13.312 1.00 0.00 C +ATOM 1344 C GLU A 83 -19.143 -27.434 12.502 1.00 0.00 C +ATOM 1345 O GLU A 83 -20.276 -26.996 12.405 1.00 0.00 O +ATOM 1346 CB GLU A 83 -17.996 -27.237 14.702 1.00 0.00 C +ATOM 1347 CG GLU A 83 -19.295 -27.068 15.498 1.00 0.00 C +ATOM 1348 CD GLU A 83 -19.200 -27.876 16.796 1.00 0.00 C +ATOM 1349 OE1 GLU A 83 -18.357 -27.513 17.598 1.00 0.00 O +ATOM 1350 OE2 GLU A 83 -19.978 -28.808 16.909 1.00 0.00 O +ATOM 1351 OXT GLU A 83 -18.706 -28.468 12.023 1.00 0.00 O +ATOM 1352 H GLU A 83 -19.618 -25.013 13.337 1.00 0.00 H +ATOM 1353 HA GLU A 83 -17.211 -26.563 12.785 1.00 0.00 H +ATOM 1354 HB2 GLU A 83 -17.771 -28.287 14.594 1.00 0.00 H +ATOM 1355 HB3 GLU A 83 -17.184 -26.754 15.226 1.00 0.00 H +ATOM 1356 HG2 GLU A 83 -19.444 -26.025 15.737 1.00 0.00 H +ATOM 1357 HG3 GLU A 83 -20.131 -27.424 14.915 1.00 0.00 H +TER 1358 GLU A 83 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_HMGB1_1AABA_1AABA/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_HMGB1_1AABA_1AABA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..57d9aa2704c6653894c68c949f38aebe6f3244d7 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_HMGB1_1AABA_1AABA/state_b.pdb @@ -0,0 +1,1361 @@ +MODEL 1 +ATOM 1 N GLY A 1 -1.007 -18.840 10.481 1.00 0.00 N +ATOM 2 CA GLY A 1 -2.390 -19.381 10.615 1.00 0.00 C +ATOM 3 C GLY A 1 -3.380 -18.236 10.836 1.00 0.00 C +ATOM 4 O GLY A 1 -4.035 -18.173 11.858 1.00 0.00 O +ATOM 5 H1 GLY A 1 -0.872 -18.062 11.158 1.00 0.00 H +ATOM 6 H2 GLY A 1 -0.319 -19.594 10.678 1.00 0.00 H +ATOM 7 H3 GLY A 1 -0.865 -18.485 9.514 1.00 0.00 H +ATOM 8 HA2 GLY A 1 -2.655 -19.916 9.715 1.00 0.00 H +ATOM 9 HA3 GLY A 1 -2.431 -20.056 11.457 1.00 0.00 H +ATOM 10 N LYS A 2 -3.463 -17.350 9.859 1.00 0.00 N +ATOM 11 CA LYS A 2 -4.401 -16.184 9.963 1.00 0.00 C +ATOM 12 C LYS A 2 -4.918 -15.792 8.583 1.00 0.00 C +ATOM 13 O LYS A 2 -4.780 -14.660 8.166 1.00 0.00 O +ATOM 14 CB LYS A 2 -3.634 -14.979 10.545 1.00 0.00 C +ATOM 15 CG LYS A 2 -3.039 -15.352 11.904 1.00 0.00 C +ATOM 16 CD LYS A 2 -2.449 -14.095 12.553 1.00 0.00 C +ATOM 17 CE LYS A 2 -1.544 -14.504 13.715 1.00 0.00 C +ATOM 18 NZ LYS A 2 -2.312 -15.291 14.722 1.00 0.00 N +ATOM 19 H LYS A 2 -2.905 -17.454 9.062 1.00 0.00 H +ATOM 20 HA LYS A 2 -5.251 -16.447 10.594 1.00 0.00 H +ATOM 21 HB2 LYS A 2 -2.841 -14.696 9.867 1.00 0.00 H +ATOM 22 HB3 LYS A 2 -4.310 -14.144 10.664 1.00 0.00 H +ATOM 23 HG2 LYS A 2 -3.811 -15.759 12.541 1.00 0.00 H +ATOM 24 HG3 LYS A 2 -2.260 -16.089 11.772 1.00 0.00 H +ATOM 25 HD2 LYS A 2 -1.874 -13.543 11.823 1.00 0.00 H +ATOM 26 HD3 LYS A 2 -3.248 -13.467 12.921 1.00 0.00 H +ATOM 27 HE2 LYS A 2 -0.729 -15.107 13.342 1.00 0.00 H +ATOM 28 HE3 LYS A 2 -1.141 -13.621 14.189 1.00 0.00 H +ATOM 29 HZ1 LYS A 2 -3.070 -15.818 14.243 1.00 0.00 H +ATOM 30 HZ2 LYS A 2 -1.674 -15.957 15.201 1.00 0.00 H +ATOM 31 HZ3 LYS A 2 -2.728 -14.643 15.422 1.00 0.00 H +ATOM 32 N GLY A 3 -5.502 -16.738 7.899 1.00 0.00 N +ATOM 33 CA GLY A 3 -6.038 -16.442 6.538 1.00 0.00 C +ATOM 34 C GLY A 3 -7.061 -17.503 6.137 1.00 0.00 C +ATOM 35 O GLY A 3 -6.747 -18.433 5.423 1.00 0.00 O +ATOM 36 H GLY A 3 -5.589 -17.638 8.279 1.00 0.00 H +ATOM 37 HA2 GLY A 3 -6.513 -15.471 6.540 1.00 0.00 H +ATOM 38 HA3 GLY A 3 -5.226 -16.441 5.827 1.00 0.00 H +ATOM 39 N ASP A 4 -8.266 -17.339 6.606 1.00 0.00 N +ATOM 40 CA ASP A 4 -9.318 -18.324 6.267 1.00 0.00 C +ATOM 41 C ASP A 4 -9.710 -18.204 4.769 1.00 0.00 C +ATOM 42 O ASP A 4 -9.502 -17.175 4.159 1.00 0.00 O +ATOM 43 CB ASP A 4 -10.551 -18.007 7.156 1.00 0.00 C +ATOM 44 CG ASP A 4 -10.484 -18.830 8.449 1.00 0.00 C +ATOM 45 OD1 ASP A 4 -10.690 -20.027 8.340 1.00 0.00 O +ATOM 46 OD2 ASP A 4 -10.233 -18.212 9.470 1.00 0.00 O +ATOM 47 H ASP A 4 -8.474 -16.569 7.177 1.00 0.00 H +ATOM 48 HA ASP A 4 -8.928 -19.315 6.468 1.00 0.00 H +ATOM 49 HB2 ASP A 4 -10.543 -16.965 7.409 1.00 0.00 H +ATOM 50 HB3 ASP A 4 -11.469 -18.239 6.632 1.00 0.00 H +ATOM 51 N PRO A 5 -10.273 -19.278 4.203 1.00 0.00 N +ATOM 52 CA PRO A 5 -10.681 -19.272 2.794 1.00 0.00 C +ATOM 53 C PRO A 5 -11.620 -18.096 2.454 1.00 0.00 C +ATOM 54 O PRO A 5 -12.626 -17.892 3.102 1.00 0.00 O +ATOM 55 CB PRO A 5 -11.422 -20.636 2.583 1.00 0.00 C +ATOM 56 CG PRO A 5 -11.344 -21.420 3.937 1.00 0.00 C +ATOM 57 CD PRO A 5 -10.518 -20.552 4.919 1.00 0.00 C +ATOM 58 HA PRO A 5 -9.796 -19.214 2.170 1.00 0.00 H +ATOM 59 HB2 PRO A 5 -12.460 -20.472 2.310 1.00 0.00 H +ATOM 60 HB3 PRO A 5 -10.933 -21.203 1.799 1.00 0.00 H +ATOM 61 HG2 PRO A 5 -12.341 -21.581 4.333 1.00 0.00 H +ATOM 62 HG3 PRO A 5 -10.860 -22.379 3.788 1.00 0.00 H +ATOM 63 HD2 PRO A 5 -11.066 -20.371 5.829 1.00 0.00 H +ATOM 64 HD3 PRO A 5 -9.576 -21.036 5.141 1.00 0.00 H +ATOM 65 N LYS A 6 -11.243 -17.364 1.428 1.00 0.00 N +ATOM 66 CA LYS A 6 -12.049 -16.186 0.966 1.00 0.00 C +ATOM 67 C LYS A 6 -12.351 -15.177 2.075 1.00 0.00 C +ATOM 68 O LYS A 6 -12.970 -14.163 1.817 1.00 0.00 O +ATOM 69 CB LYS A 6 -13.390 -16.690 0.390 1.00 0.00 C +ATOM 70 CG LYS A 6 -13.122 -17.734 -0.697 1.00 0.00 C +ATOM 71 CD LYS A 6 -14.442 -18.420 -1.071 1.00 0.00 C +ATOM 72 CE LYS A 6 -15.406 -17.393 -1.680 1.00 0.00 C +ATOM 73 NZ LYS A 6 -16.455 -18.081 -2.486 1.00 0.00 N +ATOM 74 H LYS A 6 -10.418 -17.593 0.954 1.00 0.00 H +ATOM 75 HA LYS A 6 -11.483 -15.674 0.191 1.00 0.00 H +ATOM 76 HB2 LYS A 6 -13.984 -17.128 1.172 1.00 0.00 H +ATOM 77 HB3 LYS A 6 -13.930 -15.859 -0.038 1.00 0.00 H +ATOM 78 HG2 LYS A 6 -12.704 -17.250 -1.567 1.00 0.00 H +ATOM 79 HG3 LYS A 6 -12.423 -18.471 -0.333 1.00 0.00 H +ATOM 80 HD2 LYS A 6 -14.250 -19.204 -1.788 1.00 0.00 H +ATOM 81 HD3 LYS A 6 -14.887 -18.854 -0.188 1.00 0.00 H +ATOM 82 HE2 LYS A 6 -15.883 -16.829 -0.891 1.00 0.00 H +ATOM 83 HE3 LYS A 6 -14.862 -16.712 -2.320 1.00 0.00 H +ATOM 84 HZ1 LYS A 6 -16.014 -18.826 -3.062 1.00 0.00 H +ATOM 85 HZ2 LYS A 6 -17.158 -18.507 -1.847 1.00 0.00 H +ATOM 86 HZ3 LYS A 6 -16.923 -17.393 -3.107 1.00 0.00 H +ATOM 87 N LYS A 7 -11.924 -15.445 3.281 1.00 0.00 N +ATOM 88 CA LYS A 7 -12.212 -14.473 4.363 1.00 0.00 C +ATOM 89 C LYS A 7 -11.310 -13.221 4.217 1.00 0.00 C +ATOM 90 O LYS A 7 -10.122 -13.363 3.993 1.00 0.00 O +ATOM 91 CB LYS A 7 -11.896 -15.125 5.731 1.00 0.00 C +ATOM 92 CG LYS A 7 -12.393 -14.185 6.855 1.00 0.00 C +ATOM 93 CD LYS A 7 -11.967 -14.727 8.224 1.00 0.00 C +ATOM 94 CE LYS A 7 -12.643 -13.896 9.321 1.00 0.00 C +ATOM 95 NZ LYS A 7 -12.097 -12.508 9.341 1.00 0.00 N +ATOM 96 H LYS A 7 -11.433 -16.265 3.467 1.00 0.00 H +ATOM 97 HA LYS A 7 -13.248 -14.210 4.305 1.00 0.00 H +ATOM 98 HB2 LYS A 7 -12.399 -16.079 5.805 1.00 0.00 H +ATOM 99 HB3 LYS A 7 -10.831 -15.275 5.824 1.00 0.00 H +ATOM 100 HG2 LYS A 7 -11.971 -13.202 6.717 1.00 0.00 H +ATOM 101 HG3 LYS A 7 -13.470 -14.114 6.815 1.00 0.00 H +ATOM 102 HD2 LYS A 7 -12.264 -15.753 8.319 1.00 0.00 H +ATOM 103 HD3 LYS A 7 -10.894 -14.655 8.326 1.00 0.00 H +ATOM 104 HE2 LYS A 7 -13.708 -13.854 9.137 1.00 0.00 H +ATOM 105 HE3 LYS A 7 -12.471 -14.355 10.281 1.00 0.00 H +ATOM 106 HZ1 LYS A 7 -11.061 -12.542 9.262 1.00 0.00 H +ATOM 107 HZ2 LYS A 7 -12.487 -11.969 8.542 1.00 0.00 H +ATOM 108 HZ3 LYS A 7 -12.361 -12.045 10.234 1.00 0.00 H +ATOM 109 N PRO A 8 -11.881 -11.996 4.321 1.00 0.00 N +ATOM 110 CA PRO A 8 -11.063 -10.785 4.194 1.00 0.00 C +ATOM 111 C PRO A 8 -10.001 -10.742 5.313 1.00 0.00 C +ATOM 112 O PRO A 8 -9.844 -11.696 6.051 1.00 0.00 O +ATOM 113 CB PRO A 8 -12.071 -9.596 4.336 1.00 0.00 C +ATOM 114 CG PRO A 8 -13.484 -10.218 4.620 1.00 0.00 C +ATOM 115 CD PRO A 8 -13.330 -11.757 4.525 1.00 0.00 C +ATOM 116 HA PRO A 8 -10.573 -10.777 3.221 1.00 0.00 H +ATOM 117 HB2 PRO A 8 -11.782 -8.944 5.154 1.00 0.00 H +ATOM 118 HB3 PRO A 8 -12.099 -9.025 3.416 1.00 0.00 H +ATOM 119 HG2 PRO A 8 -13.821 -9.939 5.611 1.00 0.00 H +ATOM 120 HG3 PRO A 8 -14.201 -9.867 3.885 1.00 0.00 H +ATOM 121 HD2 PRO A 8 -13.663 -12.230 5.437 1.00 0.00 H +ATOM 122 HD3 PRO A 8 -13.892 -12.136 3.680 1.00 0.00 H +ATOM 123 N ARG A 9 -9.300 -9.630 5.421 1.00 0.00 N +ATOM 124 CA ARG A 9 -8.248 -9.512 6.485 1.00 0.00 C +ATOM 125 C ARG A 9 -8.055 -8.065 6.900 1.00 0.00 C +ATOM 126 O ARG A 9 -6.951 -7.619 7.150 1.00 0.00 O +ATOM 127 CB ARG A 9 -6.922 -10.059 5.907 1.00 0.00 C +ATOM 128 CG ARG A 9 -6.630 -9.376 4.541 1.00 0.00 C +ATOM 129 CD ARG A 9 -5.110 -9.390 4.249 1.00 0.00 C +ATOM 130 NE ARG A 9 -4.912 -9.482 2.774 1.00 0.00 N +ATOM 131 CZ ARG A 9 -3.707 -9.410 2.281 1.00 0.00 C +ATOM 132 NH1 ARG A 9 -2.697 -9.257 3.094 1.00 0.00 N +ATOM 133 NH2 ARG A 9 -3.553 -9.487 0.988 1.00 0.00 N +ATOM 134 H ARG A 9 -9.467 -8.884 4.809 1.00 0.00 H +ATOM 135 HA ARG A 9 -8.552 -10.076 7.363 1.00 0.00 H +ATOM 136 HB2 ARG A 9 -6.114 -9.867 6.595 1.00 0.00 H +ATOM 137 HB3 ARG A 9 -7.012 -11.124 5.763 1.00 0.00 H +ATOM 138 HG2 ARG A 9 -7.146 -9.911 3.757 1.00 0.00 H +ATOM 139 HG3 ARG A 9 -6.983 -8.355 4.556 1.00 0.00 H +ATOM 140 HD2 ARG A 9 -4.655 -8.475 4.613 1.00 0.00 H +ATOM 141 HD3 ARG A 9 -4.643 -10.237 4.725 1.00 0.00 H +ATOM 142 HE ARG A 9 -5.682 -9.600 2.181 1.00 0.00 H +ATOM 143 HH11 ARG A 9 -2.852 -9.196 4.079 1.00 0.00 H +ATOM 144 HH12 ARG A 9 -1.767 -9.204 2.731 1.00 0.00 H +ATOM 145 HH21 ARG A 9 -4.352 -9.601 0.396 1.00 0.00 H +ATOM 146 HH22 ARG A 9 -2.639 -9.433 0.589 1.00 0.00 H +ATOM 147 N GLY A 10 -9.131 -7.356 6.974 1.00 0.00 N +ATOM 148 CA GLY A 10 -9.029 -5.943 7.371 1.00 0.00 C +ATOM 149 C GLY A 10 -8.440 -5.135 6.231 1.00 0.00 C +ATOM 150 O GLY A 10 -7.256 -5.217 5.968 1.00 0.00 O +ATOM 151 H GLY A 10 -9.997 -7.747 6.757 1.00 0.00 H +ATOM 152 HA2 GLY A 10 -10.010 -5.568 7.609 1.00 0.00 H +ATOM 153 HA3 GLY A 10 -8.391 -5.858 8.239 1.00 0.00 H +ATOM 154 N LYS A 11 -9.304 -4.398 5.561 1.00 0.00 N +ATOM 155 CA LYS A 11 -8.858 -3.545 4.406 1.00 0.00 C +ATOM 156 C LYS A 11 -7.480 -2.914 4.669 1.00 0.00 C +ATOM 157 O LYS A 11 -7.271 -2.242 5.658 1.00 0.00 O +ATOM 158 CB LYS A 11 -9.926 -2.417 4.147 1.00 0.00 C +ATOM 159 CG LYS A 11 -10.835 -2.208 5.381 1.00 0.00 C +ATOM 160 CD LYS A 11 -10.001 -1.703 6.567 1.00 0.00 C +ATOM 161 CE LYS A 11 -10.944 -1.187 7.656 1.00 0.00 C +ATOM 162 NZ LYS A 11 -11.779 -2.300 8.189 1.00 0.00 N +ATOM 163 H LYS A 11 -10.246 -4.431 5.806 1.00 0.00 H +ATOM 164 HA LYS A 11 -8.770 -4.189 3.528 1.00 0.00 H +ATOM 165 HB2 LYS A 11 -9.430 -1.484 3.908 1.00 0.00 H +ATOM 166 HB3 LYS A 11 -10.539 -2.702 3.306 1.00 0.00 H +ATOM 167 HG2 LYS A 11 -11.590 -1.478 5.143 1.00 0.00 H +ATOM 168 HG3 LYS A 11 -11.323 -3.131 5.642 1.00 0.00 H +ATOM 169 HD2 LYS A 11 -9.401 -2.502 6.964 1.00 0.00 H +ATOM 170 HD3 LYS A 11 -9.352 -0.903 6.240 1.00 0.00 H +ATOM 171 HE2 LYS A 11 -10.367 -0.760 8.464 1.00 0.00 H +ATOM 172 HE3 LYS A 11 -11.592 -0.426 7.245 1.00 0.00 H +ATOM 173 HZ1 LYS A 11 -11.640 -3.149 7.603 1.00 0.00 H +ATOM 174 HZ2 LYS A 11 -11.497 -2.507 9.170 1.00 0.00 H +ATOM 175 HZ3 LYS A 11 -12.781 -2.026 8.167 1.00 0.00 H +ATOM 176 N MET A 12 -6.575 -3.158 3.761 1.00 0.00 N +ATOM 177 CA MET A 12 -5.204 -2.605 3.906 1.00 0.00 C +ATOM 178 C MET A 12 -5.198 -1.083 3.943 1.00 0.00 C +ATOM 179 O MET A 12 -6.059 -0.436 3.378 1.00 0.00 O +ATOM 180 CB MET A 12 -4.384 -3.067 2.684 1.00 0.00 C +ATOM 181 CG MET A 12 -3.943 -4.518 2.878 1.00 0.00 C +ATOM 182 SD MET A 12 -3.328 -5.388 1.418 1.00 0.00 S +ATOM 183 CE MET A 12 -2.453 -3.987 0.676 1.00 0.00 C +ATOM 184 H MET A 12 -6.806 -3.695 2.972 1.00 0.00 H +ATOM 185 HA MET A 12 -4.766 -2.985 4.827 1.00 0.00 H +ATOM 186 HB2 MET A 12 -4.994 -2.993 1.796 1.00 0.00 H +ATOM 187 HB3 MET A 12 -3.510 -2.440 2.566 1.00 0.00 H +ATOM 188 HG2 MET A 12 -3.161 -4.534 3.624 1.00 0.00 H +ATOM 189 HG3 MET A 12 -4.778 -5.080 3.266 1.00 0.00 H +ATOM 190 HE1 MET A 12 -1.768 -3.569 1.397 1.00 0.00 H +ATOM 191 HE2 MET A 12 -1.907 -4.322 -0.188 1.00 0.00 H +ATOM 192 HE3 MET A 12 -3.164 -3.229 0.379 1.00 0.00 H +ATOM 193 N SER A 13 -4.208 -0.544 4.611 1.00 0.00 N +ATOM 194 CA SER A 13 -4.100 0.929 4.710 1.00 0.00 C +ATOM 195 C SER A 13 -3.469 1.475 3.440 1.00 0.00 C +ATOM 196 O SER A 13 -3.174 0.727 2.533 1.00 0.00 O +ATOM 197 CB SER A 13 -3.191 1.267 5.904 1.00 0.00 C +ATOM 198 OG SER A 13 -3.303 2.676 6.037 1.00 0.00 O +ATOM 199 H SER A 13 -3.540 -1.114 5.044 1.00 0.00 H +ATOM 200 HA SER A 13 -5.092 1.362 4.837 1.00 0.00 H +ATOM 201 HB2 SER A 13 -3.541 0.778 6.802 1.00 0.00 H +ATOM 202 HB3 SER A 13 -2.167 0.992 5.697 1.00 0.00 H +ATOM 203 HG SER A 13 -2.835 3.081 5.303 1.00 0.00 H +ATOM 204 N SER A 14 -3.257 2.760 3.392 1.00 0.00 N +ATOM 205 CA SER A 14 -2.647 3.341 2.179 1.00 0.00 C +ATOM 206 C SER A 14 -1.189 2.944 2.074 1.00 0.00 C +ATOM 207 O SER A 14 -0.646 2.840 0.990 1.00 0.00 O +ATOM 208 CB SER A 14 -2.745 4.872 2.275 1.00 0.00 C +ATOM 209 OG SER A 14 -2.520 5.315 0.949 1.00 0.00 O +ATOM 210 H SER A 14 -3.488 3.333 4.148 1.00 0.00 H +ATOM 211 HA SER A 14 -3.178 2.967 1.299 1.00 0.00 H +ATOM 212 HB2 SER A 14 -3.726 5.171 2.610 1.00 0.00 H +ATOM 213 HB3 SER A 14 -1.985 5.265 2.934 1.00 0.00 H +ATOM 214 HG SER A 14 -3.122 6.044 0.774 1.00 0.00 H +ATOM 215 N TYR A 15 -0.576 2.724 3.201 1.00 0.00 N +ATOM 216 CA TYR A 15 0.848 2.330 3.184 1.00 0.00 C +ATOM 217 C TYR A 15 0.961 0.889 2.747 1.00 0.00 C +ATOM 218 O TYR A 15 1.697 0.566 1.841 1.00 0.00 O +ATOM 219 CB TYR A 15 1.431 2.466 4.619 1.00 0.00 C +ATOM 220 CG TYR A 15 2.780 1.709 4.711 1.00 0.00 C +ATOM 221 CD1 TYR A 15 3.716 1.789 3.689 1.00 0.00 C +ATOM 222 CD2 TYR A 15 3.057 0.908 5.798 1.00 0.00 C +ATOM 223 CE1 TYR A 15 4.889 1.085 3.756 1.00 0.00 C +ATOM 224 CE2 TYR A 15 4.240 0.200 5.858 1.00 0.00 C +ATOM 225 CZ TYR A 15 5.159 0.285 4.834 1.00 0.00 C +ATOM 226 OH TYR A 15 6.313 -0.448 4.873 1.00 0.00 O +ATOM 227 H TYR A 15 -1.054 2.802 4.041 1.00 0.00 H +ATOM 228 HA TYR A 15 1.377 2.966 2.479 1.00 0.00 H +ATOM 229 HB2 TYR A 15 1.588 3.501 4.856 1.00 0.00 H +ATOM 230 HB3 TYR A 15 0.738 2.040 5.332 1.00 0.00 H +ATOM 231 HD1 TYR A 15 3.520 2.392 2.833 1.00 0.00 H +ATOM 232 HD2 TYR A 15 2.343 0.830 6.606 1.00 0.00 H +ATOM 233 HE1 TYR A 15 5.611 1.170 2.954 1.00 0.00 H +ATOM 234 HE2 TYR A 15 4.452 -0.418 6.716 1.00 0.00 H +ATOM 235 HH TYR A 15 6.792 -0.292 4.055 1.00 0.00 H +ATOM 236 N ALA A 16 0.242 0.042 3.423 1.00 0.00 N +ATOM 237 CA ALA A 16 0.286 -1.382 3.071 1.00 0.00 C +ATOM 238 C ALA A 16 -0.007 -1.569 1.594 1.00 0.00 C +ATOM 239 O ALA A 16 0.464 -2.507 0.980 1.00 0.00 O +ATOM 240 CB ALA A 16 -0.769 -2.123 3.888 1.00 0.00 C +ATOM 241 H ALA A 16 -0.314 0.350 4.166 1.00 0.00 H +ATOM 242 HA ALA A 16 1.276 -1.762 3.284 1.00 0.00 H +ATOM 243 HB1 ALA A 16 -1.713 -1.610 3.812 1.00 0.00 H +ATOM 244 HB2 ALA A 16 -0.877 -3.129 3.514 1.00 0.00 H +ATOM 245 HB3 ALA A 16 -0.464 -2.160 4.923 1.00 0.00 H +ATOM 246 N PHE A 17 -0.772 -0.659 1.033 1.00 0.00 N +ATOM 247 CA PHE A 17 -1.090 -0.789 -0.404 1.00 0.00 C +ATOM 248 C PHE A 17 0.149 -0.485 -1.205 1.00 0.00 C +ATOM 249 O PHE A 17 0.377 -1.059 -2.238 1.00 0.00 O +ATOM 250 CB PHE A 17 -2.230 0.230 -0.754 1.00 0.00 C +ATOM 251 CG PHE A 17 -3.471 -0.511 -1.269 1.00 0.00 C +ATOM 252 CD1 PHE A 17 -4.453 -0.933 -0.393 1.00 0.00 C +ATOM 253 CD2 PHE A 17 -3.641 -0.731 -2.624 1.00 0.00 C +ATOM 254 CE1 PHE A 17 -5.587 -1.560 -0.866 1.00 0.00 C +ATOM 255 CE2 PHE A 17 -4.773 -1.356 -3.093 1.00 0.00 C +ATOM 256 CZ PHE A 17 -5.744 -1.767 -2.218 1.00 0.00 C +ATOM 257 H PHE A 17 -1.115 0.115 1.560 1.00 0.00 H +ATOM 258 HA PHE A 17 -1.381 -1.812 -0.614 1.00 0.00 H +ATOM 259 HB2 PHE A 17 -2.497 0.788 0.127 1.00 0.00 H +ATOM 260 HB3 PHE A 17 -1.899 0.920 -1.515 1.00 0.00 H +ATOM 261 HD1 PHE A 17 -4.332 -0.777 0.670 1.00 0.00 H +ATOM 262 HD2 PHE A 17 -2.876 -0.420 -3.314 1.00 0.00 H +ATOM 263 HE1 PHE A 17 -6.348 -1.892 -0.176 1.00 0.00 H +ATOM 264 HE2 PHE A 17 -4.898 -1.521 -4.153 1.00 0.00 H +ATOM 265 HZ PHE A 17 -6.636 -2.239 -2.591 1.00 0.00 H +ATOM 266 N PHE A 18 0.927 0.414 -0.699 1.00 0.00 N +ATOM 267 CA PHE A 18 2.170 0.779 -1.410 1.00 0.00 C +ATOM 268 C PHE A 18 3.209 -0.307 -1.186 1.00 0.00 C +ATOM 269 O PHE A 18 4.158 -0.416 -1.935 1.00 0.00 O +ATOM 270 CB PHE A 18 2.674 2.147 -0.872 1.00 0.00 C +ATOM 271 CG PHE A 18 4.184 2.309 -1.112 1.00 0.00 C +ATOM 272 CD1 PHE A 18 5.096 1.761 -0.228 1.00 0.00 C +ATOM 273 CD2 PHE A 18 4.649 3.018 -2.205 1.00 0.00 C +ATOM 274 CE1 PHE A 18 6.451 1.922 -0.433 1.00 0.00 C +ATOM 275 CE2 PHE A 18 6.005 3.176 -2.408 1.00 0.00 C +ATOM 276 CZ PHE A 18 6.904 2.628 -1.521 1.00 0.00 C +ATOM 277 H PHE A 18 0.698 0.833 0.149 1.00 0.00 H +ATOM 278 HA PHE A 18 1.961 0.846 -2.481 1.00 0.00 H +ATOM 279 HB2 PHE A 18 2.158 2.932 -1.389 1.00 0.00 H +ATOM 280 HB3 PHE A 18 2.472 2.227 0.180 1.00 0.00 H +ATOM 281 HD1 PHE A 18 4.745 1.205 0.629 1.00 0.00 H +ATOM 282 HD2 PHE A 18 3.947 3.450 -2.904 1.00 0.00 H +ATOM 283 HE1 PHE A 18 7.158 1.495 0.264 1.00 0.00 H +ATOM 284 HE2 PHE A 18 6.362 3.730 -3.265 1.00 0.00 H +ATOM 285 HZ PHE A 18 7.965 2.758 -1.678 1.00 0.00 H +ATOM 286 N VAL A 19 3.012 -1.104 -0.142 1.00 0.00 N +ATOM 287 CA VAL A 19 3.979 -2.182 0.127 1.00 0.00 C +ATOM 288 C VAL A 19 3.725 -3.311 -0.797 1.00 0.00 C +ATOM 289 O VAL A 19 4.633 -3.839 -1.360 1.00 0.00 O +ATOM 290 CB VAL A 19 3.847 -2.686 1.586 1.00 0.00 C +ATOM 291 CG1 VAL A 19 4.725 -3.946 1.772 1.00 0.00 C +ATOM 292 CG2 VAL A 19 4.347 -1.594 2.528 1.00 0.00 C +ATOM 293 H VAL A 19 2.243 -0.983 0.431 1.00 0.00 H +ATOM 294 HA VAL A 19 4.965 -1.812 -0.055 1.00 0.00 H +ATOM 295 HB VAL A 19 2.816 -2.918 1.804 1.00 0.00 H +ATOM 296 HG11 VAL A 19 5.709 -3.763 1.367 1.00 0.00 H +ATOM 297 HG12 VAL A 19 4.811 -4.186 2.820 1.00 0.00 H +ATOM 298 HG13 VAL A 19 4.279 -4.780 1.257 1.00 0.00 H +ATOM 299 HG21 VAL A 19 5.212 -1.121 2.111 1.00 0.00 H +ATOM 300 HG22 VAL A 19 3.585 -0.866 2.660 1.00 0.00 H +ATOM 301 HG23 VAL A 19 4.607 -2.016 3.484 1.00 0.00 H +ATOM 302 N GLN A 20 2.485 -3.678 -0.938 1.00 0.00 N +ATOM 303 CA GLN A 20 2.188 -4.789 -1.844 1.00 0.00 C +ATOM 304 C GLN A 20 2.661 -4.401 -3.228 1.00 0.00 C +ATOM 305 O GLN A 20 3.000 -5.234 -4.045 1.00 0.00 O +ATOM 306 CB GLN A 20 0.648 -5.090 -1.801 1.00 0.00 C +ATOM 307 CG GLN A 20 -0.137 -4.316 -2.905 1.00 0.00 C +ATOM 308 CD GLN A 20 -0.213 -5.147 -4.203 1.00 0.00 C +ATOM 309 OE1 GLN A 20 0.503 -6.110 -4.392 1.00 0.00 O +ATOM 310 NE2 GLN A 20 -1.073 -4.802 -5.120 1.00 0.00 N +ATOM 311 H GLN A 20 1.770 -3.218 -0.457 1.00 0.00 H +ATOM 312 HA GLN A 20 2.758 -5.645 -1.514 1.00 0.00 H +ATOM 313 HB2 GLN A 20 0.490 -6.152 -1.918 1.00 0.00 H +ATOM 314 HB3 GLN A 20 0.270 -4.800 -0.834 1.00 0.00 H +ATOM 315 HG2 GLN A 20 -1.142 -4.123 -2.560 1.00 0.00 H +ATOM 316 HG3 GLN A 20 0.342 -3.382 -3.112 1.00 0.00 H +ATOM 317 HE21 GLN A 20 -1.658 -4.030 -4.977 1.00 0.00 H +ATOM 318 HE22 GLN A 20 -1.137 -5.317 -5.951 1.00 0.00 H +ATOM 319 N THR A 21 2.705 -3.109 -3.441 1.00 0.00 N +ATOM 320 CA THR A 21 3.153 -2.590 -4.748 1.00 0.00 C +ATOM 321 C THR A 21 4.654 -2.605 -4.790 1.00 0.00 C +ATOM 322 O THR A 21 5.247 -2.820 -5.826 1.00 0.00 O +ATOM 323 CB THR A 21 2.639 -1.156 -4.915 1.00 0.00 C +ATOM 324 OG1 THR A 21 1.243 -1.242 -4.748 1.00 0.00 O +ATOM 325 CG2 THR A 21 2.809 -0.680 -6.351 1.00 0.00 C +ATOM 326 H THR A 21 2.451 -2.485 -2.720 1.00 0.00 H +ATOM 327 HA THR A 21 2.784 -3.230 -5.537 1.00 0.00 H +ATOM 328 HB THR A 21 3.077 -0.478 -4.189 1.00 0.00 H +ATOM 329 HG1 THR A 21 0.827 -0.846 -5.518 1.00 0.00 H +ATOM 330 HG21 THR A 21 2.393 -1.410 -7.026 1.00 0.00 H +ATOM 331 HG22 THR A 21 2.296 0.262 -6.483 1.00 0.00 H +ATOM 332 HG23 THR A 21 3.856 -0.549 -6.567 1.00 0.00 H +ATOM 333 N SER A 22 5.259 -2.379 -3.650 1.00 0.00 N +ATOM 334 CA SER A 22 6.733 -2.386 -3.621 1.00 0.00 C +ATOM 335 C SER A 22 7.200 -3.819 -3.704 1.00 0.00 C +ATOM 336 O SER A 22 8.261 -4.104 -4.197 1.00 0.00 O +ATOM 337 CB SER A 22 7.216 -1.785 -2.294 1.00 0.00 C +ATOM 338 OG SER A 22 6.815 -0.425 -2.358 1.00 0.00 O +ATOM 339 H SER A 22 4.736 -2.212 -2.823 1.00 0.00 H +ATOM 340 HA SER A 22 7.115 -1.830 -4.470 1.00 0.00 H +ATOM 341 HB2 SER A 22 6.747 -2.276 -1.460 1.00 0.00 H +ATOM 342 HB3 SER A 22 8.293 -1.852 -2.215 1.00 0.00 H +ATOM 343 HG SER A 22 6.537 -0.157 -1.479 1.00 0.00 H +ATOM 344 N ARG A 23 6.351 -4.695 -3.226 1.00 0.00 N +ATOM 345 CA ARG A 23 6.660 -6.152 -3.232 1.00 0.00 C +ATOM 346 C ARG A 23 6.819 -6.659 -4.650 1.00 0.00 C +ATOM 347 O ARG A 23 7.805 -7.274 -4.985 1.00 0.00 O +ATOM 348 CB ARG A 23 5.468 -6.877 -2.542 1.00 0.00 C +ATOM 349 CG ARG A 23 5.937 -8.172 -1.829 1.00 0.00 C +ATOM 350 CD ARG A 23 4.970 -8.495 -0.669 1.00 0.00 C +ATOM 351 NE ARG A 23 5.023 -9.958 -0.390 1.00 0.00 N +ATOM 352 CZ ARG A 23 4.389 -10.784 -1.179 1.00 0.00 C +ATOM 353 NH1 ARG A 23 3.725 -10.302 -2.195 1.00 0.00 N +ATOM 354 NH2 ARG A 23 4.440 -12.062 -0.925 1.00 0.00 N +ATOM 355 H ARG A 23 5.505 -4.385 -2.870 1.00 0.00 H +ATOM 356 HA ARG A 23 7.567 -6.316 -2.706 1.00 0.00 H +ATOM 357 HB2 ARG A 23 5.033 -6.217 -1.819 1.00 0.00 H +ATOM 358 HB3 ARG A 23 4.716 -7.127 -3.275 1.00 0.00 H +ATOM 359 HG2 ARG A 23 5.943 -8.990 -2.534 1.00 0.00 H +ATOM 360 HG3 ARG A 23 6.931 -8.042 -1.434 1.00 0.00 H +ATOM 361 HD2 ARG A 23 5.265 -7.947 0.219 1.00 0.00 H +ATOM 362 HD3 ARG A 23 3.956 -8.218 -0.938 1.00 0.00 H +ATOM 363 HE ARG A 23 5.530 -10.297 0.378 1.00 0.00 H +ATOM 364 HH11 ARG A 23 3.707 -9.316 -2.356 1.00 0.00 H +ATOM 365 HH12 ARG A 23 3.232 -10.920 -2.807 1.00 0.00 H +ATOM 366 HH21 ARG A 23 4.958 -12.398 -0.137 1.00 0.00 H +ATOM 367 HH22 ARG A 23 3.961 -12.710 -1.518 1.00 0.00 H +ATOM 368 N GLU A 24 5.840 -6.395 -5.450 1.00 0.00 N +ATOM 369 CA GLU A 24 5.912 -6.852 -6.854 1.00 0.00 C +ATOM 370 C GLU A 24 7.127 -6.236 -7.531 1.00 0.00 C +ATOM 371 O GLU A 24 7.743 -6.838 -8.388 1.00 0.00 O +ATOM 372 CB GLU A 24 4.640 -6.390 -7.581 1.00 0.00 C +ATOM 373 CG GLU A 24 3.448 -7.200 -7.062 1.00 0.00 C +ATOM 374 CD GLU A 24 2.215 -6.891 -7.913 1.00 0.00 C +ATOM 375 OE1 GLU A 24 2.185 -7.389 -9.025 1.00 0.00 O +ATOM 376 OE2 GLU A 24 1.369 -6.175 -7.400 1.00 0.00 O +ATOM 377 H GLU A 24 5.065 -5.901 -5.128 1.00 0.00 H +ATOM 378 HA GLU A 24 6.004 -7.939 -6.874 1.00 0.00 H +ATOM 379 HB2 GLU A 24 4.477 -5.339 -7.393 1.00 0.00 H +ATOM 380 HB3 GLU A 24 4.751 -6.547 -8.643 1.00 0.00 H +ATOM 381 HG2 GLU A 24 3.669 -8.256 -7.124 1.00 0.00 H +ATOM 382 HG3 GLU A 24 3.248 -6.937 -6.034 1.00 0.00 H +ATOM 383 N GLU A 25 7.445 -5.035 -7.127 1.00 0.00 N +ATOM 384 CA GLU A 25 8.606 -4.346 -7.715 1.00 0.00 C +ATOM 385 C GLU A 25 9.895 -4.933 -7.152 1.00 0.00 C +ATOM 386 O GLU A 25 10.925 -4.922 -7.797 1.00 0.00 O +ATOM 387 CB GLU A 25 8.514 -2.852 -7.340 1.00 0.00 C +ATOM 388 CG GLU A 25 7.545 -2.148 -8.287 1.00 0.00 C +ATOM 389 CD GLU A 25 7.326 -0.713 -7.801 1.00 0.00 C +ATOM 390 OE1 GLU A 25 8.268 -0.186 -7.230 1.00 0.00 O +ATOM 391 OE2 GLU A 25 6.232 -0.226 -8.024 1.00 0.00 O +ATOM 392 H GLU A 25 6.915 -4.594 -6.446 1.00 0.00 H +ATOM 393 HA GLU A 25 8.591 -4.482 -8.783 1.00 0.00 H +ATOM 394 HB2 GLU A 25 8.154 -2.759 -6.328 1.00 0.00 H +ATOM 395 HB3 GLU A 25 9.484 -2.393 -7.413 1.00 0.00 H +ATOM 396 HG2 GLU A 25 7.957 -2.129 -9.286 1.00 0.00 H +ATOM 397 HG3 GLU A 25 6.600 -2.668 -8.299 1.00 0.00 H +ATOM 398 N HIS A 26 9.796 -5.433 -5.948 1.00 0.00 N +ATOM 399 CA HIS A 26 10.983 -6.039 -5.284 1.00 0.00 C +ATOM 400 C HIS A 26 11.139 -7.470 -5.762 1.00 0.00 C +ATOM 401 O HIS A 26 12.199 -8.035 -5.705 1.00 0.00 O +ATOM 402 CB HIS A 26 10.733 -5.991 -3.741 1.00 0.00 C +ATOM 403 CG HIS A 26 11.337 -7.199 -2.999 1.00 0.00 C +ATOM 404 ND1 HIS A 26 12.197 -7.120 -2.099 1.00 0.00 N +ATOM 405 CD2 HIS A 26 11.019 -8.540 -3.090 1.00 0.00 C +ATOM 406 CE1 HIS A 26 12.457 -8.257 -1.602 1.00 0.00 C +ATOM 407 NE2 HIS A 26 11.750 -9.234 -2.172 1.00 0.00 N +ATOM 408 H HIS A 26 8.934 -5.420 -5.488 1.00 0.00 H +ATOM 409 HA HIS A 26 11.878 -5.472 -5.551 1.00 0.00 H +ATOM 410 HB2 HIS A 26 11.161 -5.088 -3.342 1.00 0.00 H +ATOM 411 HB3 HIS A 26 9.683 -5.983 -3.557 1.00 0.00 H +ATOM 412 HD1 HIS A 26 12.619 -6.285 -1.812 1.00 0.00 H +ATOM 413 HD2 HIS A 26 10.305 -8.970 -3.779 1.00 0.00 H +ATOM 414 HE1 HIS A 26 13.167 -8.415 -0.804 1.00 0.00 H +ATOM 415 N LYS A 27 10.075 -8.019 -6.240 1.00 0.00 N +ATOM 416 CA LYS A 27 10.144 -9.397 -6.724 1.00 0.00 C +ATOM 417 C LYS A 27 11.031 -9.458 -7.975 1.00 0.00 C +ATOM 418 O LYS A 27 11.433 -10.516 -8.415 1.00 0.00 O +ATOM 419 CB LYS A 27 8.708 -9.842 -7.091 1.00 0.00 C +ATOM 420 CG LYS A 27 8.641 -11.372 -7.169 1.00 0.00 C +ATOM 421 CD LYS A 27 7.211 -11.800 -7.550 1.00 0.00 C +ATOM 422 CE LYS A 27 7.246 -13.228 -8.100 1.00 0.00 C +ATOM 423 NZ LYS A 27 7.917 -14.138 -7.130 1.00 0.00 N +ATOM 424 H LYS A 27 9.236 -7.518 -6.288 1.00 0.00 H +ATOM 425 HA LYS A 27 10.565 -10.025 -5.939 1.00 0.00 H +ATOM 426 HB2 LYS A 27 8.020 -9.491 -6.337 1.00 0.00 H +ATOM 427 HB3 LYS A 27 8.430 -9.420 -8.046 1.00 0.00 H +ATOM 428 HG2 LYS A 27 9.334 -11.730 -7.913 1.00 0.00 H +ATOM 429 HG3 LYS A 27 8.902 -11.797 -6.210 1.00 0.00 H +ATOM 430 HD2 LYS A 27 6.578 -11.766 -6.675 1.00 0.00 H +ATOM 431 HD3 LYS A 27 6.814 -11.133 -8.302 1.00 0.00 H +ATOM 432 HE2 LYS A 27 6.238 -13.576 -8.272 1.00 0.00 H +ATOM 433 HE3 LYS A 27 7.790 -13.244 -9.032 1.00 0.00 H +ATOM 434 HZ1 LYS A 27 8.463 -13.573 -6.448 1.00 0.00 H +ATOM 435 HZ2 LYS A 27 7.201 -14.695 -6.625 1.00 0.00 H +ATOM 436 HZ3 LYS A 27 8.557 -14.778 -7.641 1.00 0.00 H +ATOM 437 N LYS A 28 11.334 -8.299 -8.503 1.00 0.00 N +ATOM 438 CA LYS A 28 12.186 -8.236 -9.723 1.00 0.00 C +ATOM 439 C LYS A 28 13.679 -8.407 -9.428 1.00 0.00 C +ATOM 440 O LYS A 28 14.458 -8.562 -10.345 1.00 0.00 O +ATOM 441 CB LYS A 28 11.981 -6.861 -10.379 1.00 0.00 C +ATOM 442 CG LYS A 28 10.478 -6.587 -10.551 1.00 0.00 C +ATOM 443 CD LYS A 28 9.858 -7.662 -11.463 1.00 0.00 C +ATOM 444 CE LYS A 28 8.545 -7.133 -12.055 1.00 0.00 C +ATOM 445 NZ LYS A 28 8.822 -6.152 -13.144 1.00 0.00 N +ATOM 446 H LYS A 28 11.000 -7.471 -8.097 1.00 0.00 H +ATOM 447 HA LYS A 28 11.879 -9.027 -10.402 1.00 0.00 H +ATOM 448 HB2 LYS A 28 12.419 -6.094 -9.756 1.00 0.00 H +ATOM 449 HB3 LYS A 28 12.463 -6.846 -11.345 1.00 0.00 H +ATOM 450 HG2 LYS A 28 9.992 -6.608 -9.585 1.00 0.00 H +ATOM 451 HG3 LYS A 28 10.340 -5.609 -10.994 1.00 0.00 H +ATOM 452 HD2 LYS A 28 10.543 -7.904 -12.264 1.00 0.00 H +ATOM 453 HD3 LYS A 28 9.656 -8.553 -10.889 1.00 0.00 H +ATOM 454 HE2 LYS A 28 7.974 -7.956 -12.459 1.00 0.00 H +ATOM 455 HE3 LYS A 28 7.968 -6.649 -11.282 1.00 0.00 H +ATOM 456 HZ1 LYS A 28 9.843 -5.961 -13.187 1.00 0.00 H +ATOM 457 HZ2 LYS A 28 8.503 -6.542 -14.053 1.00 0.00 H +ATOM 458 HZ3 LYS A 28 8.312 -5.266 -12.949 1.00 0.00 H +ATOM 459 N LYS A 29 14.069 -8.375 -8.169 1.00 0.00 N +ATOM 460 CA LYS A 29 15.532 -8.540 -7.876 1.00 0.00 C +ATOM 461 C LYS A 29 15.805 -8.883 -6.401 1.00 0.00 C +ATOM 462 O LYS A 29 16.681 -8.310 -5.785 1.00 0.00 O +ATOM 463 CB LYS A 29 16.269 -7.220 -8.257 1.00 0.00 C +ATOM 464 CG LYS A 29 15.642 -6.022 -7.519 1.00 0.00 C +ATOM 465 CD LYS A 29 15.959 -4.727 -8.281 1.00 0.00 C +ATOM 466 CE LYS A 29 15.624 -3.528 -7.392 1.00 0.00 C +ATOM 467 NZ LYS A 29 15.808 -2.257 -8.144 1.00 0.00 N +ATOM 468 H LYS A 29 13.423 -8.247 -7.444 1.00 0.00 H +ATOM 469 HA LYS A 29 15.910 -9.365 -8.484 1.00 0.00 H +ATOM 470 HB2 LYS A 29 17.311 -7.301 -7.992 1.00 0.00 H +ATOM 471 HB3 LYS A 29 16.193 -7.068 -9.323 1.00 0.00 H +ATOM 472 HG2 LYS A 29 14.572 -6.148 -7.456 1.00 0.00 H +ATOM 473 HG3 LYS A 29 16.054 -5.958 -6.525 1.00 0.00 H +ATOM 474 HD2 LYS A 29 17.007 -4.705 -8.538 1.00 0.00 H +ATOM 475 HD3 LYS A 29 15.372 -4.683 -9.185 1.00 0.00 H +ATOM 476 HE2 LYS A 29 14.598 -3.598 -7.062 1.00 0.00 H +ATOM 477 HE3 LYS A 29 16.273 -3.527 -6.529 1.00 0.00 H +ATOM 478 HZ1 LYS A 29 15.442 -2.368 -9.111 1.00 0.00 H +ATOM 479 HZ2 LYS A 29 15.291 -1.492 -7.664 1.00 0.00 H +ATOM 480 HZ3 LYS A 29 16.820 -2.020 -8.181 1.00 0.00 H +ATOM 481 N HIS A 30 15.048 -9.828 -5.877 1.00 0.00 N +ATOM 482 CA HIS A 30 15.232 -10.246 -4.442 1.00 0.00 C +ATOM 483 C HIS A 30 14.809 -11.721 -4.259 1.00 0.00 C +ATOM 484 O HIS A 30 13.809 -12.009 -3.630 1.00 0.00 O +ATOM 485 CB HIS A 30 14.317 -9.396 -3.539 1.00 0.00 C +ATOM 486 CG HIS A 30 14.826 -7.962 -3.414 1.00 0.00 C +ATOM 487 ND1 HIS A 30 15.324 -7.476 -2.379 1.00 0.00 N +ATOM 488 CD2 HIS A 30 14.785 -6.930 -4.318 1.00 0.00 C +ATOM 489 CE1 HIS A 30 15.595 -6.251 -2.526 1.00 0.00 C +ATOM 490 NE2 HIS A 30 15.288 -5.807 -3.740 1.00 0.00 N +ATOM 491 H HIS A 30 14.360 -10.263 -6.425 1.00 0.00 H +ATOM 492 HA HIS A 30 16.280 -10.138 -4.159 1.00 0.00 H +ATOM 493 HB2 HIS A 30 13.327 -9.384 -3.950 1.00 0.00 H +ATOM 494 HB3 HIS A 30 14.284 -9.830 -2.556 1.00 0.00 H +ATOM 495 HD1 HIS A 30 15.479 -7.981 -1.553 1.00 0.00 H +ATOM 496 HD2 HIS A 30 14.399 -6.993 -5.309 1.00 0.00 H +ATOM 497 HE1 HIS A 30 16.000 -5.631 -1.746 1.00 0.00 H +ATOM 498 N PRO A 31 15.572 -12.633 -4.828 1.00 0.00 N +ATOM 499 CA PRO A 31 15.258 -14.059 -4.714 1.00 0.00 C +ATOM 500 C PRO A 31 15.626 -14.604 -3.328 1.00 0.00 C +ATOM 501 O PRO A 31 15.048 -15.568 -2.862 1.00 0.00 O +ATOM 502 CB PRO A 31 16.146 -14.739 -5.804 1.00 0.00 C +ATOM 503 CG PRO A 31 17.168 -13.657 -6.302 1.00 0.00 C +ATOM 504 CD PRO A 31 16.758 -12.312 -5.646 1.00 0.00 C +ATOM 505 HA PRO A 31 14.209 -14.217 -4.905 1.00 0.00 H +ATOM 506 HB2 PRO A 31 16.678 -15.593 -5.393 1.00 0.00 H +ATOM 507 HB3 PRO A 31 15.527 -15.070 -6.629 1.00 0.00 H +ATOM 508 HG2 PRO A 31 18.174 -13.929 -6.002 1.00 0.00 H +ATOM 509 HG3 PRO A 31 17.125 -13.575 -7.384 1.00 0.00 H +ATOM 510 HD2 PRO A 31 17.552 -11.934 -5.012 1.00 0.00 H +ATOM 511 HD3 PRO A 31 16.505 -11.584 -6.399 1.00 0.00 H +ATOM 512 N ASP A 32 16.571 -13.956 -2.702 1.00 0.00 N +ATOM 513 CA ASP A 32 17.025 -14.393 -1.344 1.00 0.00 C +ATOM 514 C ASP A 32 16.205 -13.775 -0.209 1.00 0.00 C +ATOM 515 O ASP A 32 16.147 -14.319 0.876 1.00 0.00 O +ATOM 516 CB ASP A 32 18.487 -13.942 -1.185 1.00 0.00 C +ATOM 517 CG ASP A 32 18.612 -12.484 -1.633 1.00 0.00 C +ATOM 518 OD1 ASP A 32 18.435 -11.637 -0.776 1.00 0.00 O +ATOM 519 OD2 ASP A 32 18.875 -12.303 -2.811 1.00 0.00 O +ATOM 520 H ASP A 32 16.983 -13.177 -3.129 1.00 0.00 H +ATOM 521 HA ASP A 32 16.955 -15.469 -1.274 1.00 0.00 H +ATOM 522 HB2 ASP A 32 18.791 -14.026 -0.151 1.00 0.00 H +ATOM 523 HB3 ASP A 32 19.127 -14.560 -1.797 1.00 0.00 H +ATOM 524 N ALA A 33 15.592 -12.665 -0.466 1.00 0.00 N +ATOM 525 CA ALA A 33 14.785 -12.024 0.601 1.00 0.00 C +ATOM 526 C ALA A 33 13.588 -12.881 1.003 1.00 0.00 C +ATOM 527 O ALA A 33 13.291 -13.011 2.171 1.00 0.00 O +ATOM 528 CB ALA A 33 14.267 -10.676 0.085 1.00 0.00 C +ATOM 529 H ALA A 33 15.662 -12.260 -1.344 1.00 0.00 H +ATOM 530 HA ALA A 33 15.417 -11.880 1.468 1.00 0.00 H +ATOM 531 HB1 ALA A 33 15.070 -10.134 -0.388 1.00 0.00 H +ATOM 532 HB2 ALA A 33 13.474 -10.839 -0.629 1.00 0.00 H +ATOM 533 HB3 ALA A 33 13.884 -10.093 0.911 1.00 0.00 H +ATOM 534 N SER A 34 12.919 -13.434 0.024 1.00 0.00 N +ATOM 535 CA SER A 34 11.732 -14.289 0.316 1.00 0.00 C +ATOM 536 C SER A 34 10.608 -13.477 0.974 1.00 0.00 C +ATOM 537 O SER A 34 9.494 -13.943 1.073 1.00 0.00 O +ATOM 538 CB SER A 34 12.159 -15.439 1.255 1.00 0.00 C +ATOM 539 OG SER A 34 13.524 -15.665 0.927 1.00 0.00 O +ATOM 540 H SER A 34 13.198 -13.293 -0.899 1.00 0.00 H +ATOM 541 HA SER A 34 11.358 -14.685 -0.625 1.00 0.00 H +ATOM 542 HB2 SER A 34 12.063 -15.157 2.291 1.00 0.00 H +ATOM 543 HB3 SER A 34 11.580 -16.324 1.053 1.00 0.00 H +ATOM 544 HG SER A 34 14.028 -14.900 1.210 1.00 0.00 H +ATOM 545 N VAL A 35 10.935 -12.273 1.395 1.00 0.00 N +ATOM 546 CA VAL A 35 9.921 -11.390 2.050 1.00 0.00 C +ATOM 547 C VAL A 35 9.088 -12.128 3.106 1.00 0.00 C +ATOM 548 O VAL A 35 7.999 -12.595 2.829 1.00 0.00 O +ATOM 549 CB VAL A 35 8.996 -10.855 0.944 1.00 0.00 C +ATOM 550 CG1 VAL A 35 7.894 -9.951 1.560 1.00 0.00 C +ATOM 551 CG2 VAL A 35 9.843 -10.040 -0.045 1.00 0.00 C +ATOM 552 H VAL A 35 11.836 -11.947 1.261 1.00 0.00 H +ATOM 553 HA VAL A 35 10.444 -10.566 2.535 1.00 0.00 H +ATOM 554 HB VAL A 35 8.543 -11.685 0.428 1.00 0.00 H +ATOM 555 HG11 VAL A 35 8.259 -9.487 2.462 1.00 0.00 H +ATOM 556 HG12 VAL A 35 7.610 -9.179 0.855 1.00 0.00 H +ATOM 557 HG13 VAL A 35 7.025 -10.543 1.795 1.00 0.00 H +ATOM 558 HG21 VAL A 35 10.616 -10.666 -0.465 1.00 0.00 H +ATOM 559 HG22 VAL A 35 9.217 -9.664 -0.840 1.00 0.00 H +ATOM 560 HG23 VAL A 35 10.303 -9.207 0.470 1.00 0.00 H +ATOM 561 N ASN A 36 9.621 -12.201 4.311 1.00 0.00 N +ATOM 562 CA ASN A 36 8.893 -12.898 5.418 1.00 0.00 C +ATOM 563 C ASN A 36 7.991 -11.919 6.175 1.00 0.00 C +ATOM 564 O ASN A 36 7.553 -12.200 7.275 1.00 0.00 O +ATOM 565 CB ASN A 36 9.942 -13.452 6.398 1.00 0.00 C +ATOM 566 CG ASN A 36 11.074 -14.105 5.607 1.00 0.00 C +ATOM 567 OD1 ASN A 36 10.845 -14.886 4.705 1.00 0.00 O +ATOM 568 ND2 ASN A 36 12.307 -13.816 5.912 1.00 0.00 N +ATOM 569 H ASN A 36 10.498 -11.791 4.482 1.00 0.00 H +ATOM 570 HA ASN A 36 8.285 -13.702 5.011 1.00 0.00 H +ATOM 571 HB2 ASN A 36 10.348 -12.650 6.995 1.00 0.00 H +ATOM 572 HB3 ASN A 36 9.489 -14.187 7.046 1.00 0.00 H +ATOM 573 HD21 ASN A 36 12.496 -13.187 6.640 1.00 0.00 H +ATOM 574 HD22 ASN A 36 13.044 -14.223 5.414 1.00 0.00 H +ATOM 575 N PHE A 37 7.728 -10.787 5.557 1.00 0.00 N +ATOM 576 CA PHE A 37 6.858 -9.759 6.205 1.00 0.00 C +ATOM 577 C PHE A 37 7.344 -9.471 7.633 1.00 0.00 C +ATOM 578 O PHE A 37 6.604 -9.528 8.596 1.00 0.00 O +ATOM 579 CB PHE A 37 5.389 -10.267 6.207 1.00 0.00 C +ATOM 580 CG PHE A 37 4.784 -9.991 4.827 1.00 0.00 C +ATOM 581 CD1 PHE A 37 4.353 -8.716 4.499 1.00 0.00 C +ATOM 582 CD2 PHE A 37 4.705 -10.992 3.877 1.00 0.00 C +ATOM 583 CE1 PHE A 37 3.860 -8.450 3.239 1.00 0.00 C +ATOM 584 CE2 PHE A 37 4.210 -10.722 2.617 1.00 0.00 C +ATOM 585 CZ PHE A 37 3.788 -9.450 2.301 1.00 0.00 C +ATOM 586 H PHE A 37 8.105 -10.619 4.669 1.00 0.00 H +ATOM 587 HA PHE A 37 6.944 -8.829 5.625 1.00 0.00 H +ATOM 588 HB2 PHE A 37 5.364 -11.326 6.406 1.00 0.00 H +ATOM 589 HB3 PHE A 37 4.810 -9.744 6.953 1.00 0.00 H +ATOM 590 HD1 PHE A 37 4.404 -7.926 5.234 1.00 0.00 H +ATOM 591 HD2 PHE A 37 5.031 -11.992 4.124 1.00 0.00 H +ATOM 592 HE1 PHE A 37 3.528 -7.452 2.991 1.00 0.00 H +ATOM 593 HE2 PHE A 37 4.153 -11.507 1.881 1.00 0.00 H +ATOM 594 HZ PHE A 37 3.417 -9.234 1.309 1.00 0.00 H +ATOM 595 N SER A 38 8.600 -9.177 7.716 1.00 0.00 N +ATOM 596 CA SER A 38 9.220 -8.873 9.020 1.00 0.00 C +ATOM 597 C SER A 38 10.604 -8.318 8.764 1.00 0.00 C +ATOM 598 O SER A 38 11.383 -8.104 9.673 1.00 0.00 O +ATOM 599 CB SER A 38 9.324 -10.178 9.842 1.00 0.00 C +ATOM 600 OG SER A 38 9.561 -11.182 8.869 1.00 0.00 O +ATOM 601 H SER A 38 9.148 -9.159 6.904 1.00 0.00 H +ATOM 602 HA SER A 38 8.621 -8.123 9.539 1.00 0.00 H +ATOM 603 HB2 SER A 38 10.148 -10.133 10.542 1.00 0.00 H +ATOM 604 HB3 SER A 38 8.400 -10.375 10.361 1.00 0.00 H +ATOM 605 HG SER A 38 10.175 -10.830 8.221 1.00 0.00 H +ATOM 606 N GLU A 39 10.870 -8.102 7.495 1.00 0.00 N +ATOM 607 CA GLU A 39 12.182 -7.558 7.066 1.00 0.00 C +ATOM 608 C GLU A 39 12.005 -6.748 5.789 1.00 0.00 C +ATOM 609 O GLU A 39 12.809 -5.889 5.474 1.00 0.00 O +ATOM 610 CB GLU A 39 13.118 -8.746 6.777 1.00 0.00 C +ATOM 611 CG GLU A 39 13.502 -9.418 8.097 1.00 0.00 C +ATOM 612 CD GLU A 39 14.622 -10.430 7.846 1.00 0.00 C +ATOM 613 OE1 GLU A 39 14.515 -11.115 6.842 1.00 0.00 O +ATOM 614 OE2 GLU A 39 15.518 -10.462 8.673 1.00 0.00 O +ATOM 615 H GLU A 39 10.188 -8.304 6.820 1.00 0.00 H +ATOM 616 HA GLU A 39 12.584 -6.916 7.842 1.00 0.00 H +ATOM 617 HB2 GLU A 39 12.610 -9.460 6.142 1.00 0.00 H +ATOM 618 HB3 GLU A 39 14.005 -8.395 6.276 1.00 0.00 H +ATOM 619 HG2 GLU A 39 13.846 -8.672 8.801 1.00 0.00 H +ATOM 620 HG3 GLU A 39 12.647 -9.930 8.511 1.00 0.00 H +ATOM 621 N PHE A 40 10.935 -7.040 5.087 1.00 0.00 N +ATOM 622 CA PHE A 40 10.637 -6.328 3.816 1.00 0.00 C +ATOM 623 C PHE A 40 9.852 -5.051 4.077 1.00 0.00 C +ATOM 624 O PHE A 40 10.278 -3.981 3.705 1.00 0.00 O +ATOM 625 CB PHE A 40 9.791 -7.254 2.942 1.00 0.00 C +ATOM 626 CG PHE A 40 9.491 -6.553 1.621 1.00 0.00 C +ATOM 627 CD1 PHE A 40 10.524 -6.177 0.781 1.00 0.00 C +ATOM 628 CD2 PHE A 40 8.188 -6.260 1.257 1.00 0.00 C +ATOM 629 CE1 PHE A 40 10.263 -5.523 -0.392 1.00 0.00 C +ATOM 630 CE2 PHE A 40 7.927 -5.604 0.077 1.00 0.00 C +ATOM 631 CZ PHE A 40 8.964 -5.231 -0.748 1.00 0.00 C +ATOM 632 H PHE A 40 10.336 -7.731 5.397 1.00 0.00 H +ATOM 633 HA PHE A 40 11.564 -6.077 3.327 1.00 0.00 H +ATOM 634 HB2 PHE A 40 10.328 -8.168 2.747 1.00 0.00 H +ATOM 635 HB3 PHE A 40 8.864 -7.482 3.447 1.00 0.00 H +ATOM 636 HD1 PHE A 40 11.541 -6.413 1.045 1.00 0.00 H +ATOM 637 HD2 PHE A 40 7.369 -6.555 1.900 1.00 0.00 H +ATOM 638 HE1 PHE A 40 11.076 -5.247 -1.039 1.00 0.00 H +ATOM 639 HE2 PHE A 40 6.910 -5.398 -0.207 1.00 0.00 H +ATOM 640 HZ PHE A 40 8.761 -4.690 -1.661 1.00 0.00 H +ATOM 641 N SER A 41 8.680 -5.198 4.653 1.00 0.00 N +ATOM 642 CA SER A 41 7.852 -4.001 4.950 1.00 0.00 C +ATOM 643 C SER A 41 8.674 -2.985 5.710 1.00 0.00 C +ATOM 644 O SER A 41 8.455 -1.814 5.596 1.00 0.00 O +ATOM 645 CB SER A 41 6.659 -4.433 5.818 1.00 0.00 C +ATOM 646 OG SER A 41 7.256 -4.966 6.991 1.00 0.00 O +ATOM 647 H SER A 41 8.337 -6.085 4.837 1.00 0.00 H +ATOM 648 HA SER A 41 7.517 -3.547 4.016 1.00 0.00 H +ATOM 649 HB2 SER A 41 6.038 -3.585 6.069 1.00 0.00 H +ATOM 650 HB3 SER A 41 6.075 -5.193 5.318 1.00 0.00 H +ATOM 651 HG SER A 41 6.859 -5.824 7.164 1.00 0.00 H +ATOM 652 N LYS A 42 9.598 -3.451 6.492 1.00 0.00 N +ATOM 653 CA LYS A 42 10.422 -2.498 7.243 1.00 0.00 C +ATOM 654 C LYS A 42 11.142 -1.606 6.237 1.00 0.00 C +ATOM 655 O LYS A 42 11.356 -0.429 6.463 1.00 0.00 O +ATOM 656 CB LYS A 42 11.451 -3.298 8.075 1.00 0.00 C +ATOM 657 CG LYS A 42 11.874 -2.471 9.296 1.00 0.00 C +ATOM 658 CD LYS A 42 12.863 -3.290 10.150 1.00 0.00 C +ATOM 659 CE LYS A 42 12.163 -4.554 10.698 1.00 0.00 C +ATOM 660 NZ LYS A 42 12.780 -4.970 11.986 1.00 0.00 N +ATOM 661 H LYS A 42 9.736 -4.409 6.588 1.00 0.00 H +ATOM 662 HA LYS A 42 9.780 -1.891 7.874 1.00 0.00 H +ATOM 663 HB2 LYS A 42 10.999 -4.220 8.402 1.00 0.00 H +ATOM 664 HB3 LYS A 42 12.320 -3.527 7.472 1.00 0.00 H +ATOM 665 HG2 LYS A 42 12.350 -1.558 8.968 1.00 0.00 H +ATOM 666 HG3 LYS A 42 11.004 -2.223 9.887 1.00 0.00 H +ATOM 667 HD2 LYS A 42 13.709 -3.580 9.542 1.00 0.00 H +ATOM 668 HD3 LYS A 42 13.213 -2.686 10.972 1.00 0.00 H +ATOM 669 HE2 LYS A 42 11.112 -4.355 10.862 1.00 0.00 H +ATOM 670 HE3 LYS A 42 12.261 -5.361 9.986 1.00 0.00 H +ATOM 671 HZ1 LYS A 42 13.573 -4.337 12.211 1.00 0.00 H +ATOM 672 HZ2 LYS A 42 12.070 -4.919 12.744 1.00 0.00 H +ATOM 673 HZ3 LYS A 42 13.129 -5.946 11.902 1.00 0.00 H +ATOM 674 N LYS A 43 11.492 -2.210 5.132 1.00 0.00 N +ATOM 675 CA LYS A 43 12.188 -1.487 4.072 1.00 0.00 C +ATOM 676 C LYS A 43 11.211 -0.600 3.281 1.00 0.00 C +ATOM 677 O LYS A 43 11.491 0.559 3.034 1.00 0.00 O +ATOM 678 CB LYS A 43 12.794 -2.557 3.134 1.00 0.00 C +ATOM 679 CG LYS A 43 14.083 -2.041 2.485 1.00 0.00 C +ATOM 680 CD LYS A 43 14.813 -3.228 1.863 1.00 0.00 C +ATOM 681 CE LYS A 43 15.930 -2.718 0.949 1.00 0.00 C +ATOM 682 NZ LYS A 43 16.876 -3.821 0.615 1.00 0.00 N +ATOM 683 H LYS A 43 11.316 -3.156 5.021 1.00 0.00 H +ATOM 684 HA LYS A 43 12.956 -0.872 4.515 1.00 0.00 H +ATOM 685 HB2 LYS A 43 13.015 -3.445 3.711 1.00 0.00 H +ATOM 686 HB3 LYS A 43 12.083 -2.819 2.361 1.00 0.00 H +ATOM 687 HG2 LYS A 43 13.844 -1.317 1.720 1.00 0.00 H +ATOM 688 HG3 LYS A 43 14.715 -1.581 3.228 1.00 0.00 H +ATOM 689 HD2 LYS A 43 15.232 -3.840 2.648 1.00 0.00 H +ATOM 690 HD3 LYS A 43 14.113 -3.822 1.290 1.00 0.00 H +ATOM 691 HE2 LYS A 43 15.502 -2.331 0.037 1.00 0.00 H +ATOM 692 HE3 LYS A 43 16.473 -1.929 1.446 1.00 0.00 H +ATOM 693 HZ1 LYS A 43 17.256 -4.231 1.493 1.00 0.00 H +ATOM 694 HZ2 LYS A 43 16.374 -4.559 0.079 1.00 0.00 H +ATOM 695 HZ3 LYS A 43 17.658 -3.447 0.042 1.00 0.00 H +ATOM 696 N CYS A 44 10.073 -1.159 2.895 1.00 0.00 N +ATOM 697 CA CYS A 44 9.103 -0.351 2.135 1.00 0.00 C +ATOM 698 C CYS A 44 8.674 0.844 2.951 1.00 0.00 C +ATOM 699 O CYS A 44 8.439 1.915 2.424 1.00 0.00 O +ATOM 700 CB CYS A 44 7.895 -1.223 1.829 1.00 0.00 C +ATOM 701 SG CYS A 44 8.202 -2.816 1.028 1.00 0.00 S +ATOM 702 H CYS A 44 9.862 -2.096 3.124 1.00 0.00 H +ATOM 703 HA CYS A 44 9.566 -0.005 1.226 1.00 0.00 H +ATOM 704 HB2 CYS A 44 7.382 -1.416 2.757 1.00 0.00 H +ATOM 705 HB3 CYS A 44 7.235 -0.658 1.191 1.00 0.00 H +ATOM 706 HG CYS A 44 8.223 -3.490 1.710 1.00 0.00 H +ATOM 707 N SER A 45 8.568 0.638 4.224 1.00 0.00 N +ATOM 708 CA SER A 45 8.156 1.754 5.114 1.00 0.00 C +ATOM 709 C SER A 45 9.115 2.911 4.934 1.00 0.00 C +ATOM 710 O SER A 45 8.712 4.038 4.739 1.00 0.00 O +ATOM 711 CB SER A 45 8.223 1.273 6.580 1.00 0.00 C +ATOM 712 OG SER A 45 8.209 2.470 7.345 1.00 0.00 O +ATOM 713 H SER A 45 8.754 -0.248 4.588 1.00 0.00 H +ATOM 714 HA SER A 45 7.151 2.078 4.849 1.00 0.00 H +ATOM 715 HB2 SER A 45 7.369 0.666 6.827 1.00 0.00 H +ATOM 716 HB3 SER A 45 9.136 0.727 6.762 1.00 0.00 H +ATOM 717 HG SER A 45 7.741 3.139 6.838 1.00 0.00 H +ATOM 718 N GLU A 46 10.378 2.606 4.997 1.00 0.00 N +ATOM 719 CA GLU A 46 11.387 3.667 4.830 1.00 0.00 C +ATOM 720 C GLU A 46 11.295 4.264 3.433 1.00 0.00 C +ATOM 721 O GLU A 46 11.839 5.321 3.173 1.00 0.00 O +ATOM 722 CB GLU A 46 12.778 3.035 5.018 1.00 0.00 C +ATOM 723 CG GLU A 46 13.852 4.128 4.933 1.00 0.00 C +ATOM 724 CD GLU A 46 15.148 3.622 5.574 1.00 0.00 C +ATOM 725 OE1 GLU A 46 15.155 3.543 6.791 1.00 0.00 O +ATOM 726 OE2 GLU A 46 16.057 3.345 4.809 1.00 0.00 O +ATOM 727 H GLU A 46 10.657 1.676 5.156 1.00 0.00 H +ATOM 728 HA GLU A 46 11.209 4.446 5.564 1.00 0.00 H +ATOM 729 HB2 GLU A 46 12.826 2.549 5.984 1.00 0.00 H +ATOM 730 HB3 GLU A 46 12.950 2.300 4.245 1.00 0.00 H +ATOM 731 HG2 GLU A 46 14.042 4.373 3.900 1.00 0.00 H +ATOM 732 HG3 GLU A 46 13.518 5.013 5.456 1.00 0.00 H +ATOM 733 N ARG A 47 10.590 3.556 2.562 1.00 0.00 N +ATOM 734 CA ARG A 47 10.412 4.014 1.149 1.00 0.00 C +ATOM 735 C ARG A 47 9.038 4.673 0.943 1.00 0.00 C +ATOM 736 O ARG A 47 8.779 5.241 -0.104 1.00 0.00 O +ATOM 737 CB ARG A 47 10.513 2.761 0.243 1.00 0.00 C +ATOM 738 CG ARG A 47 10.949 3.176 -1.164 1.00 0.00 C +ATOM 739 CD ARG A 47 11.189 1.919 -2.004 1.00 0.00 C +ATOM 740 NE ARG A 47 11.897 2.307 -3.251 1.00 0.00 N +ATOM 741 CZ ARG A 47 12.133 1.404 -4.165 1.00 0.00 C +ATOM 742 NH1 ARG A 47 11.739 0.175 -3.958 1.00 0.00 N +ATOM 743 NH2 ARG A 47 12.758 1.760 -5.251 1.00 0.00 N +ATOM 744 H ARG A 47 10.189 2.725 2.841 1.00 0.00 H +ATOM 745 HA ARG A 47 11.182 4.722 0.904 1.00 0.00 H +ATOM 746 HB2 ARG A 47 11.243 2.080 0.656 1.00 0.00 H +ATOM 747 HB3 ARG A 47 9.556 2.262 0.192 1.00 0.00 H +ATOM 748 HG2 ARG A 47 10.178 3.778 -1.621 1.00 0.00 H +ATOM 749 HG3 ARG A 47 11.861 3.752 -1.108 1.00 0.00 H +ATOM 750 HD2 ARG A 47 11.795 1.217 -1.450 1.00 0.00 H +ATOM 751 HD3 ARG A 47 10.245 1.458 -2.254 1.00 0.00 H +ATOM 752 HE ARG A 47 12.184 3.232 -3.386 1.00 0.00 H +ATOM 753 HH11 ARG A 47 11.265 -0.064 -3.110 1.00 0.00 H +ATOM 754 HH12 ARG A 47 11.907 -0.527 -4.651 1.00 0.00 H +ATOM 755 HH21 ARG A 47 13.049 2.709 -5.374 1.00 0.00 H +ATOM 756 HH22 ARG A 47 12.947 1.083 -5.964 1.00 0.00 H +ATOM 757 N TRP A 48 8.192 4.572 1.955 1.00 0.00 N +ATOM 758 CA TRP A 48 6.810 5.172 1.886 1.00 0.00 C +ATOM 759 C TRP A 48 6.732 6.467 2.696 1.00 0.00 C +ATOM 760 O TRP A 48 6.392 7.509 2.174 1.00 0.00 O +ATOM 761 CB TRP A 48 5.857 4.113 2.482 1.00 0.00 C +ATOM 762 CG TRP A 48 4.582 4.738 3.068 1.00 0.00 C +ATOM 763 CD1 TRP A 48 4.417 4.981 4.350 1.00 0.00 C +ATOM 764 CD2 TRP A 48 3.470 4.935 2.403 1.00 0.00 C +ATOM 765 NE1 TRP A 48 3.120 5.321 4.447 1.00 0.00 N +ATOM 766 CE2 TRP A 48 2.447 5.316 3.248 1.00 0.00 C +ATOM 767 CE3 TRP A 48 3.230 4.808 1.058 1.00 0.00 C +ATOM 768 CZ2 TRP A 48 1.184 5.551 2.749 1.00 0.00 C +ATOM 769 CZ3 TRP A 48 1.962 5.054 0.556 1.00 0.00 C +ATOM 770 CH2 TRP A 48 0.945 5.422 1.407 1.00 0.00 C +ATOM 771 H TRP A 48 8.462 4.084 2.764 1.00 0.00 H +ATOM 772 HA TRP A 48 6.549 5.384 0.863 1.00 0.00 H +ATOM 773 HB2 TRP A 48 5.581 3.411 1.719 1.00 0.00 H +ATOM 774 HB3 TRP A 48 6.370 3.585 3.267 1.00 0.00 H +ATOM 775 HD1 TRP A 48 5.167 4.997 5.116 1.00 0.00 H +ATOM 776 HE1 TRP A 48 2.688 5.536 5.299 1.00 0.00 H +ATOM 777 HE3 TRP A 48 4.029 4.510 0.394 1.00 0.00 H +ATOM 778 HZ2 TRP A 48 0.374 5.794 3.420 1.00 0.00 H +ATOM 779 HZ3 TRP A 48 1.778 4.989 -0.499 1.00 0.00 H +ATOM 780 HH2 TRP A 48 -0.047 5.597 1.021 1.00 0.00 H +ATOM 781 N LYS A 49 7.032 6.356 3.955 1.00 0.00 N +ATOM 782 CA LYS A 49 6.991 7.567 4.852 1.00 0.00 C +ATOM 783 C LYS A 49 7.755 8.745 4.237 1.00 0.00 C +ATOM 784 O LYS A 49 7.621 9.873 4.674 1.00 0.00 O +ATOM 785 CB LYS A 49 7.693 7.219 6.186 1.00 0.00 C +ATOM 786 CG LYS A 49 6.973 6.057 6.884 1.00 0.00 C +ATOM 787 CD LYS A 49 7.569 5.867 8.294 1.00 0.00 C +ATOM 788 CE LYS A 49 6.612 5.025 9.141 1.00 0.00 C +ATOM 789 NZ LYS A 49 5.467 5.852 9.608 1.00 0.00 N +ATOM 790 H LYS A 49 7.268 5.475 4.316 1.00 0.00 H +ATOM 791 HA LYS A 49 5.956 7.855 5.019 1.00 0.00 H +ATOM 792 HB2 LYS A 49 8.717 6.941 5.989 1.00 0.00 H +ATOM 793 HB3 LYS A 49 7.683 8.087 6.825 1.00 0.00 H +ATOM 794 HG2 LYS A 49 5.918 6.272 6.958 1.00 0.00 H +ATOM 795 HG3 LYS A 49 7.114 5.154 6.319 1.00 0.00 H +ATOM 796 HD2 LYS A 49 8.521 5.365 8.219 1.00 0.00 H +ATOM 797 HD3 LYS A 49 7.713 6.829 8.765 1.00 0.00 H +ATOM 798 HE2 LYS A 49 6.237 4.199 8.553 1.00 0.00 H +ATOM 799 HE3 LYS A 49 7.138 4.636 10.000 1.00 0.00 H +ATOM 800 HZ1 LYS A 49 5.822 6.751 9.992 1.00 0.00 H +ATOM 801 HZ2 LYS A 49 4.829 6.044 8.809 1.00 0.00 H +ATOM 802 HZ3 LYS A 49 4.949 5.339 10.350 1.00 0.00 H +ATOM 803 N THR A 50 8.532 8.449 3.234 1.00 0.00 N +ATOM 804 CA THR A 50 9.336 9.497 2.549 1.00 0.00 C +ATOM 805 C THR A 50 8.569 10.196 1.423 1.00 0.00 C +ATOM 806 O THR A 50 8.727 11.383 1.209 1.00 0.00 O +ATOM 807 CB THR A 50 10.553 8.781 1.945 1.00 0.00 C +ATOM 808 OG1 THR A 50 10.940 9.524 0.798 1.00 0.00 O +ATOM 809 CG2 THR A 50 10.126 7.412 1.405 1.00 0.00 C +ATOM 810 H THR A 50 8.586 7.535 2.926 1.00 0.00 H +ATOM 811 HA THR A 50 9.648 10.221 3.262 1.00 0.00 H +ATOM 812 HB THR A 50 11.373 8.712 2.656 1.00 0.00 H +ATOM 813 HG1 THR A 50 11.289 10.367 1.093 1.00 0.00 H +ATOM 814 HG21 THR A 50 9.190 7.509 0.872 1.00 0.00 H +ATOM 815 HG22 THR A 50 10.876 7.032 0.740 1.00 0.00 H +ATOM 816 HG23 THR A 50 9.992 6.724 2.228 1.00 0.00 H +ATOM 817 N MET A 51 7.775 9.451 0.724 1.00 0.00 N +ATOM 818 CA MET A 51 6.997 10.051 -0.388 1.00 0.00 C +ATOM 819 C MET A 51 6.140 11.220 0.080 1.00 0.00 C +ATOM 820 O MET A 51 6.056 11.495 1.265 1.00 0.00 O +ATOM 821 CB MET A 51 6.088 8.962 -0.983 1.00 0.00 C +ATOM 822 CG MET A 51 6.955 7.791 -1.467 1.00 0.00 C +ATOM 823 SD MET A 51 6.187 6.572 -2.569 1.00 0.00 S +ATOM 824 CE MET A 51 4.550 6.545 -1.793 1.00 0.00 C +ATOM 825 H MET A 51 7.689 8.507 0.930 1.00 0.00 H +ATOM 826 HA MET A 51 7.695 10.411 -1.137 1.00 0.00 H +ATOM 827 HB2 MET A 51 5.399 8.616 -0.233 1.00 0.00 H +ATOM 828 HB3 MET A 51 5.532 9.369 -1.814 1.00 0.00 H +ATOM 829 HG2 MET A 51 7.815 8.195 -1.983 1.00 0.00 H +ATOM 830 HG3 MET A 51 7.316 7.262 -0.597 1.00 0.00 H +ATOM 831 HE1 MET A 51 4.661 6.460 -0.724 1.00 0.00 H +ATOM 832 HE2 MET A 51 4.025 7.457 -2.031 1.00 0.00 H +ATOM 833 HE3 MET A 51 3.989 5.699 -2.164 1.00 0.00 H +ATOM 834 N SER A 52 5.510 11.883 -0.877 1.00 0.00 N +ATOM 835 CA SER A 52 4.639 13.052 -0.547 1.00 0.00 C +ATOM 836 C SER A 52 3.197 12.606 -0.429 1.00 0.00 C +ATOM 837 O SER A 52 2.827 11.578 -0.953 1.00 0.00 O +ATOM 838 CB SER A 52 4.748 14.066 -1.699 1.00 0.00 C +ATOM 839 OG SER A 52 6.072 14.571 -1.594 1.00 0.00 O +ATOM 840 H SER A 52 5.594 11.590 -1.814 1.00 0.00 H +ATOM 841 HA SER A 52 4.954 13.501 0.396 1.00 0.00 H +ATOM 842 HB2 SER A 52 4.611 13.577 -2.655 1.00 0.00 H +ATOM 843 HB3 SER A 52 4.032 14.864 -1.577 1.00 0.00 H +ATOM 844 HG SER A 52 6.677 13.883 -1.883 1.00 0.00 H +ATOM 845 N ALA A 53 2.399 13.375 0.260 1.00 0.00 N +ATOM 846 CA ALA A 53 0.989 12.981 0.399 1.00 0.00 C +ATOM 847 C ALA A 53 0.350 12.834 -0.967 1.00 0.00 C +ATOM 848 O ALA A 53 -0.648 12.159 -1.119 1.00 0.00 O +ATOM 849 CB ALA A 53 0.246 14.052 1.184 1.00 0.00 C +ATOM 850 H ALA A 53 2.730 14.192 0.678 1.00 0.00 H +ATOM 851 HA ALA A 53 0.947 12.034 0.911 1.00 0.00 H +ATOM 852 HB1 ALA A 53 0.375 15.008 0.705 1.00 0.00 H +ATOM 853 HB2 ALA A 53 -0.806 13.809 1.220 1.00 0.00 H +ATOM 854 HB3 ALA A 53 0.636 14.099 2.188 1.00 0.00 H +ATOM 855 N LYS A 54 0.933 13.480 -1.944 1.00 0.00 N +ATOM 856 CA LYS A 54 0.372 13.385 -3.308 1.00 0.00 C +ATOM 857 C LYS A 54 0.454 11.948 -3.790 1.00 0.00 C +ATOM 858 O LYS A 54 -0.534 11.371 -4.215 1.00 0.00 O +ATOM 859 CB LYS A 54 1.194 14.278 -4.249 1.00 0.00 C +ATOM 860 CG LYS A 54 0.904 15.745 -3.930 1.00 0.00 C +ATOM 861 CD LYS A 54 1.892 16.641 -4.696 1.00 0.00 C +ATOM 862 CE LYS A 54 1.591 16.586 -6.207 1.00 0.00 C +ATOM 863 NZ LYS A 54 2.210 15.379 -6.819 1.00 0.00 N +ATOM 864 H LYS A 54 1.732 14.022 -1.772 1.00 0.00 H +ATOM 865 HA LYS A 54 -0.674 13.695 -3.285 1.00 0.00 H +ATOM 866 HB2 LYS A 54 2.247 14.076 -4.113 1.00 0.00 H +ATOM 867 HB3 LYS A 54 0.922 14.067 -5.272 1.00 0.00 H +ATOM 868 HG2 LYS A 54 -0.109 15.986 -4.217 1.00 0.00 H +ATOM 869 HG3 LYS A 54 1.016 15.910 -2.869 1.00 0.00 H +ATOM 870 HD2 LYS A 54 1.800 17.658 -4.348 1.00 0.00 H +ATOM 871 HD3 LYS A 54 2.901 16.299 -4.518 1.00 0.00 H +ATOM 872 HE2 LYS A 54 0.524 16.558 -6.370 1.00 0.00 H +ATOM 873 HE3 LYS A 54 1.995 17.466 -6.685 1.00 0.00 H +ATOM 874 HZ1 LYS A 54 2.969 15.027 -6.200 1.00 0.00 H +ATOM 875 HZ2 LYS A 54 1.487 14.640 -6.935 1.00 0.00 H +ATOM 876 HZ3 LYS A 54 2.605 15.625 -7.748 1.00 0.00 H +ATOM 877 N GLU A 55 1.634 11.381 -3.711 1.00 0.00 N +ATOM 878 CA GLU A 55 1.774 9.988 -4.163 1.00 0.00 C +ATOM 879 C GLU A 55 1.031 9.078 -3.209 1.00 0.00 C +ATOM 880 O GLU A 55 0.295 8.205 -3.618 1.00 0.00 O +ATOM 881 CB GLU A 55 3.264 9.619 -4.161 1.00 0.00 C +ATOM 882 CG GLU A 55 4.040 10.671 -4.957 1.00 0.00 C +ATOM 883 CD GLU A 55 5.469 10.180 -5.192 1.00 0.00 C +ATOM 884 OE1 GLU A 55 5.604 9.277 -6.002 1.00 0.00 O +ATOM 885 OE2 GLU A 55 6.344 10.735 -4.549 1.00 0.00 O +ATOM 886 H GLU A 55 2.413 11.875 -3.347 1.00 0.00 H +ATOM 887 HA GLU A 55 1.347 9.890 -5.160 1.00 0.00 H +ATOM 888 HB2 GLU A 55 3.628 9.589 -3.148 1.00 0.00 H +ATOM 889 HB3 GLU A 55 3.397 8.648 -4.617 1.00 0.00 H +ATOM 890 HG2 GLU A 55 3.560 10.839 -5.909 1.00 0.00 H +ATOM 891 HG3 GLU A 55 4.068 11.599 -4.404 1.00 0.00 H +ATOM 892 N LYS A 56 1.210 9.313 -1.943 1.00 0.00 N +ATOM 893 CA LYS A 56 0.518 8.468 -0.963 1.00 0.00 C +ATOM 894 C LYS A 56 -0.957 8.803 -1.010 1.00 0.00 C +ATOM 895 O LYS A 56 -1.759 8.212 -0.324 1.00 0.00 O +ATOM 896 CB LYS A 56 1.070 8.776 0.442 1.00 0.00 C +ATOM 897 CG LYS A 56 2.623 8.667 0.427 1.00 0.00 C +ATOM 898 CD LYS A 56 3.242 9.430 1.645 1.00 0.00 C +ATOM 899 CE LYS A 56 3.415 8.484 2.844 1.00 0.00 C +ATOM 900 NZ LYS A 56 2.095 8.156 3.450 1.00 0.00 N +ATOM 901 H LYS A 56 1.781 10.058 -1.643 1.00 0.00 H +ATOM 902 HA LYS A 56 0.663 7.422 -1.223 1.00 0.00 H +ATOM 903 HB2 LYS A 56 0.767 9.760 0.727 1.00 0.00 H +ATOM 904 HB3 LYS A 56 0.665 8.067 1.148 1.00 0.00 H +ATOM 905 HG2 LYS A 56 2.906 7.626 0.462 1.00 0.00 H +ATOM 906 HG3 LYS A 56 3.007 9.094 -0.484 1.00 0.00 H +ATOM 907 HD2 LYS A 56 4.205 9.820 1.366 1.00 0.00 H +ATOM 908 HD3 LYS A 56 2.610 10.257 1.928 1.00 0.00 H +ATOM 909 HE2 LYS A 56 3.898 7.573 2.526 1.00 0.00 H +ATOM 910 HE3 LYS A 56 4.034 8.964 3.589 1.00 0.00 H +ATOM 911 HZ1 LYS A 56 1.594 9.035 3.689 1.00 0.00 H +ATOM 912 HZ2 LYS A 56 1.528 7.609 2.771 1.00 0.00 H +ATOM 913 HZ3 LYS A 56 2.239 7.594 4.312 1.00 0.00 H +ATOM 914 N GLY A 57 -1.269 9.769 -1.845 1.00 0.00 N +ATOM 915 CA GLY A 57 -2.681 10.217 -2.007 1.00 0.00 C +ATOM 916 C GLY A 57 -3.468 9.233 -2.880 1.00 0.00 C +ATOM 917 O GLY A 57 -4.559 8.831 -2.530 1.00 0.00 O +ATOM 918 H GLY A 57 -0.566 10.202 -2.359 1.00 0.00 H +ATOM 919 HA2 GLY A 57 -3.144 10.290 -1.040 1.00 0.00 H +ATOM 920 HA3 GLY A 57 -2.690 11.188 -2.477 1.00 0.00 H +ATOM 921 N LYS A 58 -2.916 8.873 -4.012 1.00 0.00 N +ATOM 922 CA LYS A 58 -3.649 7.921 -4.879 1.00 0.00 C +ATOM 923 C LYS A 58 -3.717 6.573 -4.199 1.00 0.00 C +ATOM 924 O LYS A 58 -4.587 5.770 -4.470 1.00 0.00 O +ATOM 925 CB LYS A 58 -2.902 7.775 -6.211 1.00 0.00 C +ATOM 926 CG LYS A 58 -1.405 7.535 -5.937 1.00 0.00 C +ATOM 927 CD LYS A 58 -0.787 6.819 -7.119 1.00 0.00 C +ATOM 928 CE LYS A 58 0.711 6.667 -6.884 1.00 0.00 C +ATOM 929 NZ LYS A 58 1.392 6.225 -8.136 1.00 0.00 N +ATOM 930 H LYS A 58 -2.028 9.221 -4.278 1.00 0.00 H +ATOM 931 HA LYS A 58 -4.658 8.289 -5.034 1.00 0.00 H +ATOM 932 HB2 LYS A 58 -3.317 6.941 -6.765 1.00 0.00 H +ATOM 933 HB3 LYS A 58 -3.022 8.679 -6.795 1.00 0.00 H +ATOM 934 HG2 LYS A 58 -0.910 8.480 -5.790 1.00 0.00 H +ATOM 935 HG3 LYS A 58 -1.283 6.928 -5.058 1.00 0.00 H +ATOM 936 HD2 LYS A 58 -1.240 5.846 -7.221 1.00 0.00 H +ATOM 937 HD3 LYS A 58 -0.960 7.390 -8.012 1.00 0.00 H +ATOM 938 HE2 LYS A 58 1.126 7.613 -6.570 1.00 0.00 H +ATOM 939 HE3 LYS A 58 0.880 5.932 -6.110 1.00 0.00 H +ATOM 940 HZ1 LYS A 58 1.026 6.771 -8.941 1.00 0.00 H +ATOM 941 HZ2 LYS A 58 2.416 6.384 -8.049 1.00 0.00 H +ATOM 942 HZ3 LYS A 58 1.211 5.213 -8.292 1.00 0.00 H +ATOM 943 N PHE A 59 -2.783 6.355 -3.320 1.00 0.00 N +ATOM 944 CA PHE A 59 -2.747 5.069 -2.586 1.00 0.00 C +ATOM 945 C PHE A 59 -3.800 5.129 -1.508 1.00 0.00 C +ATOM 946 O PHE A 59 -4.311 4.124 -1.061 1.00 0.00 O +ATOM 947 CB PHE A 59 -1.354 4.895 -1.931 1.00 0.00 C +ATOM 948 CG PHE A 59 -0.373 4.266 -2.937 1.00 0.00 C +ATOM 949 CD1 PHE A 59 -0.607 3.007 -3.461 1.00 0.00 C +ATOM 950 CD2 PHE A 59 0.780 4.938 -3.314 1.00 0.00 C +ATOM 951 CE1 PHE A 59 0.292 2.436 -4.336 1.00 0.00 C +ATOM 952 CE2 PHE A 59 1.672 4.365 -4.188 1.00 0.00 C +ATOM 953 CZ PHE A 59 1.430 3.117 -4.701 1.00 0.00 C +ATOM 954 H PHE A 59 -2.124 7.050 -3.137 1.00 0.00 H +ATOM 955 HA PHE A 59 -2.974 4.252 -3.270 1.00 0.00 H +ATOM 956 HB2 PHE A 59 -0.981 5.852 -1.622 1.00 0.00 H +ATOM 957 HB3 PHE A 59 -1.430 4.250 -1.066 1.00 0.00 H +ATOM 958 HD1 PHE A 59 -1.495 2.469 -3.183 1.00 0.00 H +ATOM 959 HD2 PHE A 59 0.982 5.910 -2.916 1.00 0.00 H +ATOM 960 HE1 PHE A 59 0.109 1.451 -4.725 1.00 0.00 H +ATOM 961 HE2 PHE A 59 2.567 4.902 -4.471 1.00 0.00 H +ATOM 962 HZ PHE A 59 2.125 2.675 -5.398 1.00 0.00 H +ATOM 963 N GLU A 60 -4.094 6.333 -1.107 1.00 0.00 N +ATOM 964 CA GLU A 60 -5.107 6.533 -0.066 1.00 0.00 C +ATOM 965 C GLU A 60 -6.447 6.297 -0.703 1.00 0.00 C +ATOM 966 O GLU A 60 -7.408 5.950 -0.051 1.00 0.00 O +ATOM 967 CB GLU A 60 -4.997 8.016 0.433 1.00 0.00 C +ATOM 968 CG GLU A 60 -4.695 8.058 1.935 1.00 0.00 C +ATOM 969 CD GLU A 60 -5.814 7.349 2.706 1.00 0.00 C +ATOM 970 OE1 GLU A 60 -6.948 7.491 2.272 1.00 0.00 O +ATOM 971 OE2 GLU A 60 -5.473 6.706 3.686 1.00 0.00 O +ATOM 972 H GLU A 60 -3.653 7.106 -1.517 1.00 0.00 H +ATOM 973 HA GLU A 60 -4.956 5.816 0.737 1.00 0.00 H +ATOM 974 HB2 GLU A 60 -4.203 8.497 -0.092 1.00 0.00 H +ATOM 975 HB3 GLU A 60 -5.914 8.551 0.234 1.00 0.00 H +ATOM 976 HG2 GLU A 60 -3.752 7.566 2.130 1.00 0.00 H +ATOM 977 HG3 GLU A 60 -4.630 9.089 2.262 1.00 0.00 H +ATOM 978 N ASP A 61 -6.467 6.491 -1.993 1.00 0.00 N +ATOM 979 CA ASP A 61 -7.717 6.292 -2.750 1.00 0.00 C +ATOM 980 C ASP A 61 -7.903 4.817 -3.020 1.00 0.00 C +ATOM 981 O ASP A 61 -9.011 4.336 -3.143 1.00 0.00 O +ATOM 982 CB ASP A 61 -7.597 7.053 -4.078 1.00 0.00 C +ATOM 983 CG ASP A 61 -8.990 7.248 -4.679 1.00 0.00 C +ATOM 984 OD1 ASP A 61 -9.588 6.235 -5.001 1.00 0.00 O +ATOM 985 OD2 ASP A 61 -9.377 8.400 -4.779 1.00 0.00 O +ATOM 986 H ASP A 61 -5.634 6.765 -2.466 1.00 0.00 H +ATOM 987 HA ASP A 61 -8.564 6.656 -2.158 1.00 0.00 H +ATOM 988 HB2 ASP A 61 -7.144 8.018 -3.903 1.00 0.00 H +ATOM 989 HB3 ASP A 61 -6.981 6.492 -4.771 1.00 0.00 H +ATOM 990 N MET A 62 -6.800 4.120 -3.131 1.00 0.00 N +ATOM 991 CA MET A 62 -6.880 2.681 -3.387 1.00 0.00 C +ATOM 992 C MET A 62 -7.290 1.983 -2.115 1.00 0.00 C +ATOM 993 O MET A 62 -8.179 1.163 -2.116 1.00 0.00 O +ATOM 994 CB MET A 62 -5.493 2.184 -3.845 1.00 0.00 C +ATOM 995 CG MET A 62 -5.243 2.591 -5.336 1.00 0.00 C +ATOM 996 SD MET A 62 -3.650 3.348 -5.726 1.00 0.00 S +ATOM 997 CE MET A 62 -2.696 1.819 -5.809 1.00 0.00 C +ATOM 998 H MET A 62 -5.933 4.552 -3.053 1.00 0.00 H +ATOM 999 HA MET A 62 -7.627 2.500 -4.140 1.00 0.00 H +ATOM 1000 HB2 MET A 62 -4.729 2.627 -3.220 1.00 0.00 H +ATOM 1001 HB3 MET A 62 -5.445 1.105 -3.744 1.00 0.00 H +ATOM 1002 HG2 MET A 62 -5.343 1.706 -5.954 1.00 0.00 H +ATOM 1003 HG3 MET A 62 -6.010 3.289 -5.646 1.00 0.00 H +ATOM 1004 HE1 MET A 62 -3.129 1.162 -6.548 1.00 0.00 H +ATOM 1005 HE2 MET A 62 -1.680 2.047 -6.083 1.00 0.00 H +ATOM 1006 HE3 MET A 62 -2.711 1.336 -4.844 1.00 0.00 H +ATOM 1007 N ALA A 63 -6.626 2.311 -1.043 1.00 0.00 N +ATOM 1008 CA ALA A 63 -6.985 1.671 0.229 1.00 0.00 C +ATOM 1009 C ALA A 63 -8.439 1.989 0.533 1.00 0.00 C +ATOM 1010 O ALA A 63 -9.127 1.228 1.186 1.00 0.00 O +ATOM 1011 CB ALA A 63 -6.090 2.245 1.342 1.00 0.00 C +ATOM 1012 H ALA A 63 -5.891 2.957 -1.087 1.00 0.00 H +ATOM 1013 HA ALA A 63 -6.863 0.590 0.137 1.00 0.00 H +ATOM 1014 HB1 ALA A 63 -5.919 3.297 1.166 1.00 0.00 H +ATOM 1015 HB2 ALA A 63 -6.567 2.119 2.305 1.00 0.00 H +ATOM 1016 HB3 ALA A 63 -5.148 1.727 1.346 1.00 0.00 H +ATOM 1017 N LYS A 64 -8.884 3.126 0.043 1.00 0.00 N +ATOM 1018 CA LYS A 64 -10.280 3.520 0.284 1.00 0.00 C +ATOM 1019 C LYS A 64 -11.190 2.680 -0.586 1.00 0.00 C +ATOM 1020 O LYS A 64 -12.282 2.319 -0.191 1.00 0.00 O +ATOM 1021 CB LYS A 64 -10.458 5.003 -0.081 1.00 0.00 C +ATOM 1022 CG LYS A 64 -11.924 5.400 0.150 1.00 0.00 C +ATOM 1023 CD LYS A 64 -12.044 6.931 0.205 1.00 0.00 C +ATOM 1024 CE LYS A 64 -11.828 7.511 -1.194 1.00 0.00 C +ATOM 1025 NZ LYS A 64 -12.158 8.962 -1.209 1.00 0.00 N +ATOM 1026 H LYS A 64 -8.297 3.702 -0.482 1.00 0.00 H +ATOM 1027 HA LYS A 64 -10.521 3.347 1.323 1.00 0.00 H +ATOM 1028 HB2 LYS A 64 -9.815 5.604 0.539 1.00 0.00 H +ATOM 1029 HB3 LYS A 64 -10.200 5.156 -1.113 1.00 0.00 H +ATOM 1030 HG2 LYS A 64 -12.531 5.018 -0.657 1.00 0.00 H +ATOM 1031 HG3 LYS A 64 -12.271 4.979 1.082 1.00 0.00 H +ATOM 1032 HD2 LYS A 64 -13.027 7.202 0.559 1.00 0.00 H +ATOM 1033 HD3 LYS A 64 -11.306 7.333 0.884 1.00 0.00 H +ATOM 1034 HE2 LYS A 64 -10.796 7.384 -1.484 1.00 0.00 H +ATOM 1035 HE3 LYS A 64 -12.461 6.997 -1.903 1.00 0.00 H +ATOM 1036 HZ1 LYS A 64 -12.718 9.198 -0.363 1.00 0.00 H +ATOM 1037 HZ2 LYS A 64 -11.280 9.518 -1.210 1.00 0.00 H +ATOM 1038 HZ3 LYS A 64 -12.710 9.184 -2.061 1.00 0.00 H +ATOM 1039 N ALA A 65 -10.721 2.369 -1.766 1.00 0.00 N +ATOM 1040 CA ALA A 65 -11.542 1.559 -2.660 1.00 0.00 C +ATOM 1041 C ALA A 65 -11.635 0.171 -2.099 1.00 0.00 C +ATOM 1042 O ALA A 65 -12.639 -0.493 -2.225 1.00 0.00 O +ATOM 1043 CB ALA A 65 -10.886 1.510 -4.048 1.00 0.00 C +ATOM 1044 H ALA A 65 -9.840 2.667 -2.042 1.00 0.00 H +ATOM 1045 HA ALA A 65 -12.521 1.983 -2.705 1.00 0.00 H +ATOM 1046 HB1 ALA A 65 -9.876 1.143 -3.965 1.00 0.00 H +ATOM 1047 HB2 ALA A 65 -11.450 0.852 -4.693 1.00 0.00 H +ATOM 1048 HB3 ALA A 65 -10.870 2.500 -4.479 1.00 0.00 H +ATOM 1049 N ASP A 66 -10.576 -0.239 -1.469 1.00 0.00 N +ATOM 1050 CA ASP A 66 -10.563 -1.580 -0.878 1.00 0.00 C +ATOM 1051 C ASP A 66 -11.481 -1.586 0.319 1.00 0.00 C +ATOM 1052 O ASP A 66 -12.073 -2.591 0.656 1.00 0.00 O +ATOM 1053 CB ASP A 66 -9.129 -1.909 -0.423 1.00 0.00 C +ATOM 1054 CG ASP A 66 -9.023 -3.405 -0.131 1.00 0.00 C +ATOM 1055 OD1 ASP A 66 -8.791 -4.129 -1.085 1.00 0.00 O +ATOM 1056 OD2 ASP A 66 -9.179 -3.740 1.031 1.00 0.00 O +ATOM 1057 H ASP A 66 -9.801 0.345 -1.385 1.00 0.00 H +ATOM 1058 HA ASP A 66 -10.921 -2.298 -1.613 1.00 0.00 H +ATOM 1059 HB2 ASP A 66 -8.431 -1.650 -1.203 1.00 0.00 H +ATOM 1060 HB3 ASP A 66 -8.888 -1.353 0.472 1.00 0.00 H +ATOM 1061 N LYS A 67 -11.579 -0.445 0.951 1.00 0.00 N +ATOM 1062 CA LYS A 67 -12.450 -0.344 2.128 1.00 0.00 C +ATOM 1063 C LYS A 67 -13.862 -0.751 1.744 1.00 0.00 C +ATOM 1064 O LYS A 67 -14.570 -1.360 2.517 1.00 0.00 O +ATOM 1065 CB LYS A 67 -12.448 1.125 2.620 1.00 0.00 C +ATOM 1066 CG LYS A 67 -12.808 1.165 4.106 1.00 0.00 C +ATOM 1067 CD LYS A 67 -13.095 2.612 4.509 1.00 0.00 C +ATOM 1068 CE LYS A 67 -13.121 2.713 6.036 1.00 0.00 C +ATOM 1069 NZ LYS A 67 -13.438 4.107 6.461 1.00 0.00 N +ATOM 1070 H LYS A 67 -11.069 0.329 0.648 1.00 0.00 H +ATOM 1071 HA LYS A 67 -12.083 -1.014 2.894 1.00 0.00 H +ATOM 1072 HB2 LYS A 67 -11.465 1.549 2.479 1.00 0.00 H +ATOM 1073 HB3 LYS A 67 -13.167 1.705 2.061 1.00 0.00 H +ATOM 1074 HG2 LYS A 67 -13.683 0.558 4.285 1.00 0.00 H +ATOM 1075 HG3 LYS A 67 -11.985 0.784 4.689 1.00 0.00 H +ATOM 1076 HD2 LYS A 67 -12.325 3.260 4.117 1.00 0.00 H +ATOM 1077 HD3 LYS A 67 -14.052 2.918 4.108 1.00 0.00 H +ATOM 1078 HE2 LYS A 67 -13.871 2.044 6.430 1.00 0.00 H +ATOM 1079 HE3 LYS A 67 -12.156 2.435 6.433 1.00 0.00 H +ATOM 1080 HZ1 LYS A 67 -13.350 4.746 5.646 1.00 0.00 H +ATOM 1081 HZ2 LYS A 67 -14.411 4.143 6.827 1.00 0.00 H +ATOM 1082 HZ3 LYS A 67 -12.775 4.401 7.206 1.00 0.00 H +ATOM 1083 N ALA A 68 -14.251 -0.398 0.540 1.00 0.00 N +ATOM 1084 CA ALA A 68 -15.607 -0.758 0.088 1.00 0.00 C +ATOM 1085 C ALA A 68 -15.690 -2.238 -0.227 1.00 0.00 C +ATOM 1086 O ALA A 68 -16.707 -2.867 -0.006 1.00 0.00 O +ATOM 1087 CB ALA A 68 -15.933 0.046 -1.182 1.00 0.00 C +ATOM 1088 H ALA A 68 -13.653 0.113 -0.048 1.00 0.00 H +ATOM 1089 HA ALA A 68 -16.303 -0.534 0.878 1.00 0.00 H +ATOM 1090 HB1 ALA A 68 -15.653 1.080 -1.041 1.00 0.00 H +ATOM 1091 HB2 ALA A 68 -15.385 -0.360 -2.019 1.00 0.00 H +ATOM 1092 HB3 ALA A 68 -16.991 -0.011 -1.388 1.00 0.00 H +ATOM 1093 N ARG A 69 -14.621 -2.771 -0.736 1.00 0.00 N +ATOM 1094 CA ARG A 69 -14.624 -4.217 -1.069 1.00 0.00 C +ATOM 1095 C ARG A 69 -14.733 -5.038 0.205 1.00 0.00 C +ATOM 1096 O ARG A 69 -15.363 -6.074 0.230 1.00 0.00 O +ATOM 1097 CB ARG A 69 -13.300 -4.576 -1.772 1.00 0.00 C +ATOM 1098 CG ARG A 69 -13.208 -3.831 -3.117 1.00 0.00 C +ATOM 1099 CD ARG A 69 -14.314 -4.326 -4.085 1.00 0.00 C +ATOM 1100 NE ARG A 69 -15.405 -3.310 -4.115 1.00 0.00 N +ATOM 1101 CZ ARG A 69 -16.382 -3.446 -4.967 1.00 0.00 C +ATOM 1102 NH1 ARG A 69 -16.382 -4.470 -5.774 1.00 0.00 N +ATOM 1103 NH2 ARG A 69 -17.329 -2.547 -4.985 1.00 0.00 N +ATOM 1104 H ARG A 69 -13.828 -2.223 -0.893 1.00 0.00 H +ATOM 1105 HA ARG A 69 -15.478 -4.434 -1.707 1.00 0.00 H +ATOM 1106 HB2 ARG A 69 -12.467 -4.296 -1.147 1.00 0.00 H +ATOM 1107 HB3 ARG A 69 -13.263 -5.642 -1.948 1.00 0.00 H +ATOM 1108 HG2 ARG A 69 -13.332 -2.777 -2.947 1.00 0.00 H +ATOM 1109 HG3 ARG A 69 -12.234 -4.002 -3.555 1.00 0.00 H +ATOM 1110 HD2 ARG A 69 -13.908 -4.439 -5.082 1.00 0.00 H +ATOM 1111 HD3 ARG A 69 -14.718 -5.275 -3.756 1.00 0.00 H +ATOM 1112 HE ARG A 69 -15.385 -2.546 -3.503 1.00 0.00 H +ATOM 1113 HH11 ARG A 69 -15.639 -5.139 -5.733 1.00 0.00 H +ATOM 1114 HH12 ARG A 69 -17.125 -4.590 -6.431 1.00 0.00 H +ATOM 1115 HH21 ARG A 69 -17.295 -1.773 -4.353 1.00 0.00 H +ATOM 1116 HH22 ARG A 69 -18.089 -2.634 -5.628 1.00 0.00 H +ATOM 1117 N TYR A 70 -14.114 -4.551 1.246 1.00 0.00 N +ATOM 1118 CA TYR A 70 -14.164 -5.282 2.532 1.00 0.00 C +ATOM 1119 C TYR A 70 -15.603 -5.453 2.994 1.00 0.00 C +ATOM 1120 O TYR A 70 -15.992 -6.519 3.420 1.00 0.00 O +ATOM 1121 CB TYR A 70 -13.397 -4.460 3.584 1.00 0.00 C +ATOM 1122 CG TYR A 70 -13.493 -5.154 4.947 1.00 0.00 C +ATOM 1123 CD1 TYR A 70 -14.580 -4.937 5.771 1.00 0.00 C +ATOM 1124 CD2 TYR A 70 -12.489 -6.000 5.375 1.00 0.00 C +ATOM 1125 CE1 TYR A 70 -14.661 -5.555 7.000 1.00 0.00 C +ATOM 1126 CE2 TYR A 70 -12.572 -6.618 6.607 1.00 0.00 C +ATOM 1127 CZ TYR A 70 -13.659 -6.401 7.427 1.00 0.00 C +ATOM 1128 OH TYR A 70 -13.740 -7.018 8.658 1.00 0.00 O +ATOM 1129 H TYR A 70 -13.622 -3.709 1.177 1.00 0.00 H +ATOM 1130 HA TYR A 70 -13.710 -6.262 2.401 1.00 0.00 H +ATOM 1131 HB2 TYR A 70 -12.358 -4.378 3.298 1.00 0.00 H +ATOM 1132 HB3 TYR A 70 -13.824 -3.472 3.659 1.00 0.00 H +ATOM 1133 HD1 TYR A 70 -15.373 -4.278 5.448 1.00 0.00 H +ATOM 1134 HD2 TYR A 70 -11.633 -6.181 4.742 1.00 0.00 H +ATOM 1135 HE1 TYR A 70 -15.516 -5.376 7.636 1.00 0.00 H +ATOM 1136 HE2 TYR A 70 -11.779 -7.278 6.930 1.00 0.00 H +ATOM 1137 HH TYR A 70 -13.502 -7.942 8.545 1.00 0.00 H +ATOM 1138 N GLU A 71 -16.371 -4.397 2.896 1.00 0.00 N +ATOM 1139 CA GLU A 71 -17.782 -4.482 3.324 1.00 0.00 C +ATOM 1140 C GLU A 71 -18.616 -5.239 2.303 1.00 0.00 C +ATOM 1141 O GLU A 71 -19.644 -5.800 2.626 1.00 0.00 O +ATOM 1142 CB GLU A 71 -18.325 -3.057 3.444 1.00 0.00 C +ATOM 1143 CG GLU A 71 -17.424 -2.269 4.389 1.00 0.00 C +ATOM 1144 CD GLU A 71 -17.983 -0.856 4.570 1.00 0.00 C +ATOM 1145 OE1 GLU A 71 -19.156 -0.774 4.898 1.00 0.00 O +ATOM 1146 OE2 GLU A 71 -17.205 0.064 4.372 1.00 0.00 O +ATOM 1147 H GLU A 71 -16.015 -3.556 2.547 1.00 0.00 H +ATOM 1148 HA GLU A 71 -17.830 -4.993 4.274 1.00 0.00 H +ATOM 1149 HB2 GLU A 71 -18.331 -2.585 2.472 1.00 0.00 H +ATOM 1150 HB3 GLU A 71 -19.330 -3.081 3.835 1.00 0.00 H +ATOM 1151 HG2 GLU A 71 -17.385 -2.764 5.347 1.00 0.00 H +ATOM 1152 HG3 GLU A 71 -16.428 -2.212 3.976 1.00 0.00 H +ATOM 1153 N ARG A 72 -18.153 -5.241 1.088 1.00 0.00 N +ATOM 1154 CA ARG A 72 -18.898 -5.954 0.013 1.00 0.00 C +ATOM 1155 C ARG A 72 -18.666 -7.462 0.060 1.00 0.00 C +ATOM 1156 O ARG A 72 -19.464 -8.230 -0.441 1.00 0.00 O +ATOM 1157 CB ARG A 72 -18.401 -5.423 -1.334 1.00 0.00 C +ATOM 1158 CG ARG A 72 -19.410 -5.793 -2.417 1.00 0.00 C +ATOM 1159 CD ARG A 72 -18.992 -5.133 -3.713 1.00 0.00 C +ATOM 1160 NE ARG A 72 -18.959 -3.657 -3.512 1.00 0.00 N +ATOM 1161 CZ ARG A 72 -20.079 -2.987 -3.496 1.00 0.00 C +ATOM 1162 NH1 ARG A 72 -21.203 -3.633 -3.657 1.00 0.00 N +ATOM 1163 NH2 ARG A 72 -20.037 -1.696 -3.324 1.00 0.00 N +ATOM 1164 H ARG A 72 -17.317 -4.768 0.881 1.00 0.00 H +ATOM 1165 HA ARG A 72 -19.954 -5.762 0.128 1.00 0.00 H +ATOM 1166 HB2 ARG A 72 -18.302 -4.349 -1.285 1.00 0.00 H +ATOM 1167 HB3 ARG A 72 -17.439 -5.857 -1.570 1.00 0.00 H +ATOM 1168 HG2 ARG A 72 -19.433 -6.862 -2.546 1.00 0.00 H +ATOM 1169 HG3 ARG A 72 -20.393 -5.446 -2.136 1.00 0.00 H +ATOM 1170 HD2 ARG A 72 -18.011 -5.477 -3.996 1.00 0.00 H +ATOM 1171 HD3 ARG A 72 -19.699 -5.373 -4.490 1.00 0.00 H +ATOM 1172 HE ARG A 72 -18.104 -3.195 -3.389 1.00 0.00 H +ATOM 1173 HH11 ARG A 72 -21.197 -4.624 -3.789 1.00 0.00 H +ATOM 1174 HH12 ARG A 72 -22.070 -3.135 -3.650 1.00 0.00 H +ATOM 1175 HH21 ARG A 72 -19.157 -1.236 -3.208 1.00 0.00 H +ATOM 1176 HH22 ARG A 72 -20.884 -1.166 -3.310 1.00 0.00 H +ATOM 1177 N GLU A 73 -17.585 -7.859 0.667 1.00 0.00 N +ATOM 1178 CA GLU A 73 -17.281 -9.316 0.757 1.00 0.00 C +ATOM 1179 C GLU A 73 -18.094 -9.988 1.863 1.00 0.00 C +ATOM 1180 O GLU A 73 -18.395 -11.161 1.783 1.00 0.00 O +ATOM 1181 CB GLU A 73 -15.778 -9.475 1.071 1.00 0.00 C +ATOM 1182 CG GLU A 73 -14.976 -9.276 -0.217 1.00 0.00 C +ATOM 1183 CD GLU A 73 -13.497 -9.108 0.131 1.00 0.00 C +ATOM 1184 OE1 GLU A 73 -12.951 -10.070 0.645 1.00 0.00 O +ATOM 1185 OE2 GLU A 73 -12.998 -8.028 -0.135 1.00 0.00 O +ATOM 1186 H GLU A 73 -16.986 -7.204 1.074 1.00 0.00 H +ATOM 1187 HA GLU A 73 -17.526 -9.789 -0.196 1.00 0.00 H +ATOM 1188 HB2 GLU A 73 -15.480 -8.736 1.802 1.00 0.00 H +ATOM 1189 HB3 GLU A 73 -15.586 -10.461 1.464 1.00 0.00 H +ATOM 1190 HG2 GLU A 73 -15.095 -10.135 -0.857 1.00 0.00 H +ATOM 1191 HG3 GLU A 73 -15.323 -8.395 -0.733 1.00 0.00 H +ATOM 1192 N MET A 74 -18.433 -9.236 2.873 1.00 0.00 N +ATOM 1193 CA MET A 74 -19.220 -9.829 3.974 1.00 0.00 C +ATOM 1194 C MET A 74 -20.588 -10.289 3.487 1.00 0.00 C +ATOM 1195 O MET A 74 -21.282 -11.013 4.173 1.00 0.00 O +ATOM 1196 CB MET A 74 -19.418 -8.765 5.069 1.00 0.00 C +ATOM 1197 CG MET A 74 -18.054 -8.145 5.424 1.00 0.00 C +ATOM 1198 SD MET A 74 -16.586 -9.182 5.200 1.00 0.00 S +ATOM 1199 CE MET A 74 -16.608 -9.961 6.832 1.00 0.00 C +ATOM 1200 H MET A 74 -18.167 -8.300 2.905 1.00 0.00 H +ATOM 1201 HA MET A 74 -18.680 -10.679 4.359 1.00 0.00 H +ATOM 1202 HB2 MET A 74 -20.092 -7.997 4.712 1.00 0.00 H +ATOM 1203 HB3 MET A 74 -19.847 -9.230 5.945 1.00 0.00 H +ATOM 1204 HG2 MET A 74 -17.919 -7.260 4.825 1.00 0.00 H +ATOM 1205 HG3 MET A 74 -18.079 -7.835 6.461 1.00 0.00 H +ATOM 1206 HE1 MET A 74 -17.585 -10.379 7.020 1.00 0.00 H +ATOM 1207 HE2 MET A 74 -15.869 -10.749 6.864 1.00 0.00 H +ATOM 1208 HE3 MET A 74 -16.379 -9.224 7.586 1.00 0.00 H +ATOM 1209 N LYS A 75 -20.949 -9.863 2.311 1.00 0.00 N +ATOM 1210 CA LYS A 75 -22.263 -10.261 1.763 1.00 0.00 C +ATOM 1211 C LYS A 75 -22.251 -11.704 1.270 1.00 0.00 C +ATOM 1212 O LYS A 75 -23.234 -12.166 0.719 1.00 0.00 O +ATOM 1213 CB LYS A 75 -22.590 -9.355 0.560 1.00 0.00 C +ATOM 1214 CG LYS A 75 -22.803 -7.906 1.036 1.00 0.00 C +ATOM 1215 CD LYS A 75 -23.621 -7.142 -0.018 1.00 0.00 C +ATOM 1216 CE LYS A 75 -22.932 -7.263 -1.380 1.00 0.00 C +ATOM 1217 NZ LYS A 75 -23.500 -6.275 -2.339 1.00 0.00 N +ATOM 1218 H LYS A 75 -20.363 -9.282 1.801 1.00 0.00 H +ATOM 1219 HA LYS A 75 -23.009 -10.157 2.537 1.00 0.00 H +ATOM 1220 HB2 LYS A 75 -21.774 -9.385 -0.146 1.00 0.00 H +ATOM 1221 HB3 LYS A 75 -23.488 -9.716 0.076 1.00 0.00 H +ATOM 1222 HG2 LYS A 75 -23.335 -7.905 1.976 1.00 0.00 H +ATOM 1223 HG3 LYS A 75 -21.846 -7.426 1.171 1.00 0.00 H +ATOM 1224 HD2 LYS A 75 -24.615 -7.559 -0.077 1.00 0.00 H +ATOM 1225 HD3 LYS A 75 -23.690 -6.100 0.261 1.00 0.00 H +ATOM 1226 HE2 LYS A 75 -21.873 -7.079 -1.269 1.00 0.00 H +ATOM 1227 HE3 LYS A 75 -23.077 -8.259 -1.771 1.00 0.00 H +ATOM 1228 HZ1 LYS A 75 -23.447 -5.322 -1.929 1.00 0.00 H +ATOM 1229 HZ2 LYS A 75 -22.957 -6.302 -3.226 1.00 0.00 H +ATOM 1230 HZ3 LYS A 75 -24.493 -6.514 -2.535 1.00 0.00 H +ATOM 1231 N THR A 76 -21.133 -12.394 1.469 1.00 0.00 N +ATOM 1232 CA THR A 76 -21.040 -13.827 1.008 1.00 0.00 C +ATOM 1233 C THR A 76 -20.168 -14.677 1.931 1.00 0.00 C +ATOM 1234 O THR A 76 -20.097 -15.880 1.770 1.00 0.00 O +ATOM 1235 CB THR A 76 -20.396 -13.834 -0.386 1.00 0.00 C +ATOM 1236 OG1 THR A 76 -19.113 -13.272 -0.205 1.00 0.00 O +ATOM 1237 CG2 THR A 76 -21.111 -12.857 -1.333 1.00 0.00 C +ATOM 1238 H THR A 76 -20.370 -11.972 1.910 1.00 0.00 H +ATOM 1239 HA THR A 76 -22.034 -14.269 0.974 1.00 0.00 H +ATOM 1240 HB THR A 76 -20.325 -14.840 -0.792 1.00 0.00 H +ATOM 1241 HG1 THR A 76 -19.021 -13.034 0.720 1.00 0.00 H +ATOM 1242 HG21 THR A 76 -22.166 -13.082 -1.361 1.00 0.00 H +ATOM 1243 HG22 THR A 76 -20.970 -11.845 -0.988 1.00 0.00 H +ATOM 1244 HG23 THR A 76 -20.700 -12.952 -2.327 1.00 0.00 H +ATOM 1245 N TYR A 77 -19.519 -14.059 2.882 1.00 0.00 N +ATOM 1246 CA TYR A 77 -18.662 -14.858 3.794 1.00 0.00 C +ATOM 1247 C TYR A 77 -19.525 -15.714 4.727 1.00 0.00 C +ATOM 1248 O TYR A 77 -19.923 -16.790 4.357 1.00 0.00 O +ATOM 1249 CB TYR A 77 -17.780 -13.893 4.619 1.00 0.00 C +ATOM 1250 CG TYR A 77 -16.852 -14.701 5.544 1.00 0.00 C +ATOM 1251 CD1 TYR A 77 -15.992 -15.663 5.028 1.00 0.00 C +ATOM 1252 CD2 TYR A 77 -16.873 -14.497 6.908 1.00 0.00 C +ATOM 1253 CE1 TYR A 77 -15.183 -16.399 5.866 1.00 0.00 C +ATOM 1254 CE2 TYR A 77 -16.059 -15.235 7.741 1.00 0.00 C +ATOM 1255 CZ TYR A 77 -15.213 -16.192 7.228 1.00 0.00 C +ATOM 1256 OH TYR A 77 -14.428 -16.952 8.067 1.00 0.00 O +ATOM 1257 H TYR A 77 -19.601 -13.091 2.995 1.00 0.00 H +ATOM 1258 HA TYR A 77 -18.047 -15.518 3.190 1.00 0.00 H +ATOM 1259 HB2 TYR A 77 -17.179 -13.294 3.953 1.00 0.00 H +ATOM 1260 HB3 TYR A 77 -18.404 -13.244 5.213 1.00 0.00 H +ATOM 1261 HD1 TYR A 77 -15.935 -15.821 3.965 1.00 0.00 H +ATOM 1262 HD2 TYR A 77 -17.531 -13.749 7.328 1.00 0.00 H +ATOM 1263 HE1 TYR A 77 -14.521 -17.145 5.451 1.00 0.00 H +ATOM 1264 HE2 TYR A 77 -16.081 -15.053 8.802 1.00 0.00 H +ATOM 1265 HH TYR A 77 -15.011 -17.477 8.623 1.00 0.00 H +ATOM 1266 N ILE A 78 -19.804 -15.199 5.913 1.00 0.00 N +ATOM 1267 CA ILE A 78 -20.647 -15.954 6.909 1.00 0.00 C +ATOM 1268 C ILE A 78 -20.193 -17.450 7.073 1.00 0.00 C +ATOM 1269 O ILE A 78 -20.626 -18.315 6.332 1.00 0.00 O +ATOM 1270 CB ILE A 78 -22.096 -15.932 6.410 1.00 0.00 C +ATOM 1271 CG1 ILE A 78 -22.591 -14.470 6.297 1.00 0.00 C +ATOM 1272 CG2 ILE A 78 -22.979 -16.665 7.451 1.00 0.00 C +ATOM 1273 CD1 ILE A 78 -21.991 -13.775 5.044 1.00 0.00 C +ATOM 1274 H ILE A 78 -19.479 -14.314 6.138 1.00 0.00 H +ATOM 1275 HA ILE A 78 -20.584 -15.444 7.860 1.00 0.00 H +ATOM 1276 HB ILE A 78 -22.151 -16.415 5.441 1.00 0.00 H +ATOM 1277 HG12 ILE A 78 -23.668 -14.461 6.228 1.00 0.00 H +ATOM 1278 HG13 ILE A 78 -22.297 -13.925 7.185 1.00 0.00 H +ATOM 1279 HG21 ILE A 78 -22.777 -16.275 8.437 1.00 0.00 H +ATOM 1280 HG22 ILE A 78 -24.023 -16.516 7.218 1.00 0.00 H +ATOM 1281 HG23 ILE A 78 -22.765 -17.720 7.437 1.00 0.00 H +ATOM 1282 HD11 ILE A 78 -21.783 -14.499 4.271 1.00 0.00 H +ATOM 1283 HD12 ILE A 78 -22.692 -13.047 4.662 1.00 0.00 H +ATOM 1284 HD13 ILE A 78 -21.074 -13.268 5.309 1.00 0.00 H +ATOM 1285 N PRO A 79 -19.350 -17.742 8.076 1.00 0.00 N +ATOM 1286 CA PRO A 79 -18.882 -19.117 8.284 1.00 0.00 C +ATOM 1287 C PRO A 79 -20.039 -20.042 8.746 1.00 0.00 C +ATOM 1288 O PRO A 79 -21.115 -19.573 9.061 1.00 0.00 O +ATOM 1289 CB PRO A 79 -17.798 -19.005 9.407 1.00 0.00 C +ATOM 1290 CG PRO A 79 -17.763 -17.507 9.869 1.00 0.00 C +ATOM 1291 CD PRO A 79 -18.837 -16.752 9.043 1.00 0.00 C +ATOM 1292 HA PRO A 79 -18.456 -19.482 7.361 1.00 0.00 H +ATOM 1293 HB2 PRO A 79 -18.047 -19.645 10.247 1.00 0.00 H +ATOM 1294 HB3 PRO A 79 -16.831 -19.294 9.015 1.00 0.00 H +ATOM 1295 HG2 PRO A 79 -17.990 -17.439 10.928 1.00 0.00 H +ATOM 1296 HG3 PRO A 79 -16.785 -17.085 9.685 1.00 0.00 H +ATOM 1297 HD2 PRO A 79 -19.640 -16.417 9.689 1.00 0.00 H +ATOM 1298 HD3 PRO A 79 -18.404 -15.915 8.523 1.00 0.00 H +ATOM 1299 N PRO A 80 -19.782 -21.356 8.762 1.00 0.00 N +ATOM 1300 CA PRO A 80 -20.794 -22.322 9.182 1.00 0.00 C +ATOM 1301 C PRO A 80 -21.122 -22.151 10.672 1.00 0.00 C +ATOM 1302 O PRO A 80 -20.890 -21.107 11.249 1.00 0.00 O +ATOM 1303 CB PRO A 80 -20.147 -23.727 8.921 1.00 0.00 C +ATOM 1304 CG PRO A 80 -18.664 -23.476 8.498 1.00 0.00 C +ATOM 1305 CD PRO A 80 -18.490 -21.942 8.345 1.00 0.00 C +ATOM 1306 HA PRO A 80 -21.697 -22.189 8.594 1.00 0.00 H +ATOM 1307 HB2 PRO A 80 -20.178 -24.342 9.811 1.00 0.00 H +ATOM 1308 HB3 PRO A 80 -20.679 -24.232 8.121 1.00 0.00 H +ATOM 1309 HG2 PRO A 80 -17.991 -23.854 9.257 1.00 0.00 H +ATOM 1310 HG3 PRO A 80 -18.456 -23.972 7.555 1.00 0.00 H +ATOM 1311 HD2 PRO A 80 -17.698 -21.582 8.982 1.00 0.00 H +ATOM 1312 HD3 PRO A 80 -18.285 -21.697 7.317 1.00 0.00 H +ATOM 1313 N LYS A 81 -21.651 -23.185 11.252 1.00 0.00 N +ATOM 1314 CA LYS A 81 -22.007 -23.132 12.691 1.00 0.00 C +ATOM 1315 C LYS A 81 -20.779 -23.331 13.578 1.00 0.00 C +ATOM 1316 O LYS A 81 -20.834 -24.019 14.578 1.00 0.00 O +ATOM 1317 CB LYS A 81 -23.016 -24.258 12.976 1.00 0.00 C +ATOM 1318 CG LYS A 81 -24.278 -24.016 12.145 1.00 0.00 C +ATOM 1319 CD LYS A 81 -25.218 -25.215 12.295 1.00 0.00 C +ATOM 1320 CE LYS A 81 -26.581 -24.866 11.692 1.00 0.00 C +ATOM 1321 NZ LYS A 81 -27.577 -25.929 12.005 1.00 0.00 N +ATOM 1322 H LYS A 81 -21.814 -23.989 10.741 1.00 0.00 H +ATOM 1323 HA LYS A 81 -22.441 -22.168 12.905 1.00 0.00 H +ATOM 1324 HB2 LYS A 81 -22.584 -25.212 12.711 1.00 0.00 H +ATOM 1325 HB3 LYS A 81 -23.271 -24.263 14.026 1.00 0.00 H +ATOM 1326 HG2 LYS A 81 -24.771 -23.120 12.491 1.00 0.00 H +ATOM 1327 HG3 LYS A 81 -24.008 -23.893 11.106 1.00 0.00 H +ATOM 1328 HD2 LYS A 81 -24.801 -26.070 11.782 1.00 0.00 H +ATOM 1329 HD3 LYS A 81 -25.335 -25.455 13.342 1.00 0.00 H +ATOM 1330 HE2 LYS A 81 -26.929 -23.928 12.099 1.00 0.00 H +ATOM 1331 HE3 LYS A 81 -26.488 -24.773 10.620 1.00 0.00 H +ATOM 1332 HZ1 LYS A 81 -27.673 -26.020 13.035 1.00 0.00 H +ATOM 1333 HZ2 LYS A 81 -28.496 -25.673 11.591 1.00 0.00 H +ATOM 1334 HZ3 LYS A 81 -27.256 -26.833 11.605 1.00 0.00 H +ATOM 1335 N GLY A 82 -19.693 -22.723 13.196 1.00 0.00 N +ATOM 1336 CA GLY A 82 -18.448 -22.865 14.009 1.00 0.00 C +ATOM 1337 C GLY A 82 -17.847 -24.267 13.849 1.00 0.00 C +ATOM 1338 O GLY A 82 -16.667 -24.463 14.058 1.00 0.00 O +ATOM 1339 H GLY A 82 -19.695 -22.177 12.387 1.00 0.00 H +ATOM 1340 HA2 GLY A 82 -17.726 -22.131 13.684 1.00 0.00 H +ATOM 1341 HA3 GLY A 82 -18.680 -22.696 15.050 1.00 0.00 H +ATOM 1342 N GLU A 83 -18.672 -25.213 13.487 1.00 0.00 N +ATOM 1343 CA GLU A 83 -18.164 -26.599 13.312 1.00 0.00 C +ATOM 1344 C GLU A 83 -19.143 -27.434 12.502 1.00 0.00 C +ATOM 1345 O GLU A 83 -20.276 -26.996 12.405 1.00 0.00 O +ATOM 1346 CB GLU A 83 -17.996 -27.237 14.702 1.00 0.00 C +ATOM 1347 CG GLU A 83 -19.295 -27.068 15.498 1.00 0.00 C +ATOM 1348 CD GLU A 83 -19.200 -27.876 16.796 1.00 0.00 C +ATOM 1349 OE1 GLU A 83 -18.357 -27.513 17.598 1.00 0.00 O +ATOM 1350 OE2 GLU A 83 -19.978 -28.808 16.909 1.00 0.00 O +ATOM 1351 OXT GLU A 83 -18.706 -28.468 12.023 1.00 0.00 O +ATOM 1352 H GLU A 83 -19.618 -25.013 13.337 1.00 0.00 H +ATOM 1353 HA GLU A 83 -17.211 -26.563 12.785 1.00 0.00 H +ATOM 1354 HB2 GLU A 83 -17.771 -28.287 14.594 1.00 0.00 H +ATOM 1355 HB3 GLU A 83 -17.184 -26.754 15.226 1.00 0.00 H +ATOM 1356 HG2 GLU A 83 -19.444 -26.025 15.737 1.00 0.00 H +ATOM 1357 HG3 GLU A 83 -20.131 -27.424 14.915 1.00 0.00 H +TER 1358 GLU A 83 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_NCOA1_1KBHB_1KBHB/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_NCOA1_1KBHB_1KBHB/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c7dad4a1e9e85e51b9ee316b12d30d17bd8b40a8 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_NCOA1_1KBHB_1KBHB/state_a.pdb @@ -0,0 +1,948 @@ +MODEL 1 +ATOM 1 N PRO B 48 14.238 -4.383 -12.877 1.00 10.00 N +ATOM 2 CA PRO B 48 12.841 -4.557 -12.404 1.00 10.00 C +ATOM 3 C PRO B 48 12.205 -5.626 -13.308 1.00 10.00 C +ATOM 4 O PRO B 48 11.645 -5.316 -14.353 1.00 10.00 O +ATOM 5 CB PRO B 48 12.184 -3.169 -12.479 1.00 10.00 C +ATOM 6 CG PRO B 48 12.998 -2.399 -13.529 1.00 10.00 C +ATOM 7 CD PRO B 48 14.097 -3.377 -13.942 1.00 10.00 C +ATOM 8 H PRO B 48 14.831 -4.029 -12.140 1.00 10.00 H +ATOM 9 H3 PRO B 48 14.603 -5.252 -13.240 1.00 10.00 H +ATOM 10 HA PRO B 48 12.817 -4.929 -11.380 1.00 10.00 H +ATOM 11 HB2 PRO B 48 11.134 -3.223 -12.766 1.00 10.00 H +ATOM 12 HB3 PRO B 48 12.283 -2.658 -11.522 1.00 10.00 H +ATOM 13 HG2 PRO B 48 12.378 -2.122 -14.381 1.00 10.00 H +ATOM 14 HG3 PRO B 48 13.430 -1.495 -13.098 1.00 10.00 H +ATOM 15 HD2 PRO B 48 13.780 -3.886 -14.853 1.00 10.00 H +ATOM 16 HD3 PRO B 48 15.036 -2.857 -14.132 1.00 10.00 H +ATOM 17 N ASN B 49 12.451 -6.887 -12.938 1.00 10.00 N +ATOM 18 CA ASN B 49 12.180 -8.077 -13.742 1.00 10.00 C +ATOM 19 C ASN B 49 12.108 -9.337 -12.853 1.00 10.00 C +ATOM 20 O ASN B 49 11.049 -9.943 -12.778 1.00 10.00 O +ATOM 21 CB ASN B 49 13.262 -8.176 -14.843 1.00 10.00 C +ATOM 22 CG ASN B 49 14.697 -7.936 -14.350 1.00 10.00 C +ATOM 23 OD1 ASN B 49 15.080 -6.822 -13.993 1.00 10.00 O +ATOM 24 ND2 ASN B 49 15.517 -8.969 -14.260 1.00 10.00 N +ATOM 25 H ASN B 49 12.746 -7.005 -11.980 1.00 10.00 H +ATOM 26 HA ASN B 49 11.203 -7.973 -14.214 1.00 10.00 H +ATOM 27 HB2 ASN B 49 13.169 -9.163 -15.294 1.00 10.00 H +ATOM 28 HB3 ASN B 49 13.054 -7.424 -15.605 1.00 10.00 H +ATOM 29 HD21 ASN B 49 15.286 -9.873 -14.647 1.00 10.00 H +ATOM 30 HD22 ASN B 49 16.457 -8.729 -13.980 1.00 10.00 H +ATOM 31 N ARG B 50 13.202 -9.716 -12.161 1.00 10.00 N +ATOM 32 CA ARG B 50 13.256 -10.734 -11.092 1.00 10.00 C +ATOM 33 C ARG B 50 12.350 -10.199 -9.989 1.00 10.00 C +ATOM 34 O ARG B 50 11.234 -10.673 -9.823 1.00 10.00 O +ATOM 35 CB ARG B 50 14.741 -11.011 -10.714 1.00 10.00 C +ATOM 36 CG ARG B 50 15.129 -11.265 -9.241 1.00 10.00 C +ATOM 37 CD ARG B 50 14.428 -12.439 -8.543 1.00 10.00 C +ATOM 38 NE ARG B 50 15.016 -12.661 -7.205 1.00 10.00 N +ATOM 39 CZ ARG B 50 15.021 -13.775 -6.486 1.00 10.00 C +ATOM 40 NH1 ARG B 50 14.184 -14.752 -6.691 1.00 10.00 N +ATOM 41 NH2 ARG B 50 15.864 -13.862 -5.499 1.00 10.00 N +ATOM 42 H ARG B 50 14.051 -9.195 -12.332 1.00 10.00 H +ATOM 43 HA ARG B 50 12.764 -11.647 -11.431 1.00 10.00 H +ATOM 44 HB2 ARG B 50 15.061 -11.869 -11.306 1.00 10.00 H +ATOM 45 HB3 ARG B 50 15.347 -10.164 -11.035 1.00 10.00 H +ATOM 46 HG2 ARG B 50 16.196 -11.485 -9.226 1.00 10.00 H +ATOM 47 HG3 ARG B 50 14.980 -10.359 -8.653 1.00 10.00 H +ATOM 48 HD2 ARG B 50 13.361 -12.225 -8.472 1.00 10.00 H +ATOM 49 HD3 ARG B 50 14.545 -13.333 -9.155 1.00 10.00 H +ATOM 50 HE ARG B 50 15.483 -11.895 -6.740 1.00 10.00 H +ATOM 51 HH11 ARG B 50 13.302 -14.334 -6.951 1.00 10.00 H +ATOM 52 HH12 ARG B 50 14.179 -15.550 -6.073 1.00 10.00 H +ATOM 53 HH21 ARG B 50 16.251 -12.965 -5.243 1.00 10.00 H +ATOM 54 HH22 ARG B 50 15.909 -14.656 -4.877 1.00 10.00 H +ATOM 55 N SER B 51 12.805 -9.163 -9.298 1.00 10.00 N +ATOM 56 CA SER B 51 11.992 -8.355 -8.410 1.00 10.00 C +ATOM 57 C SER B 51 11.455 -7.247 -9.323 1.00 10.00 C +ATOM 58 O SER B 51 12.188 -6.719 -10.169 1.00 10.00 O +ATOM 59 CB SER B 51 12.777 -7.805 -7.199 1.00 10.00 C +ATOM 60 OG SER B 51 14.173 -7.990 -7.303 1.00 10.00 O +ATOM 61 H SER B 51 13.746 -8.835 -9.465 1.00 10.00 H +ATOM 62 HA SER B 51 11.154 -8.940 -8.031 1.00 10.00 H +ATOM 63 HB2 SER B 51 12.561 -6.745 -7.068 1.00 10.00 H +ATOM 64 HB3 SER B 51 12.433 -8.309 -6.295 1.00 10.00 H +ATOM 65 HG SER B 51 14.462 -8.565 -6.590 1.00 10.00 H +ATOM 66 N ILE B 52 10.179 -6.903 -9.169 1.00 10.00 N +ATOM 67 CA ILE B 52 9.464 -5.992 -10.076 1.00 10.00 C +ATOM 68 C ILE B 52 9.590 -4.531 -9.591 1.00 10.00 C +ATOM 69 O ILE B 52 9.612 -3.598 -10.388 1.00 10.00 O +ATOM 70 CB ILE B 52 7.974 -6.419 -10.228 1.00 10.00 C +ATOM 71 CG1 ILE B 52 7.770 -7.950 -10.391 1.00 10.00 C +ATOM 72 CG2 ILE B 52 7.394 -5.716 -11.468 1.00 10.00 C +ATOM 73 CD1 ILE B 52 7.701 -8.751 -9.076 1.00 10.00 C +ATOM 74 H ILE B 52 9.639 -7.407 -8.479 1.00 10.00 H +ATOM 75 HA ILE B 52 9.931 -6.050 -11.060 1.00 10.00 H +ATOM 76 HB ILE B 52 7.411 -6.088 -9.355 1.00 10.00 H +ATOM 77 HG12 ILE B 52 6.832 -8.126 -10.919 1.00 10.00 H +ATOM 78 HG13 ILE B 52 8.574 -8.363 -11.002 1.00 10.00 H +ATOM 79 HG21 ILE B 52 7.427 -4.634 -11.344 1.00 10.00 H +ATOM 80 HG22 ILE B 52 7.960 -5.986 -12.359 1.00 10.00 H +ATOM 81 HG23 ILE B 52 6.349 -6.000 -11.590 1.00 10.00 H +ATOM 82 HD11 ILE B 52 7.414 -9.777 -9.307 1.00 10.00 H +ATOM 83 HD12 ILE B 52 8.683 -8.812 -8.607 1.00 10.00 H +ATOM 84 HD13 ILE B 52 6.985 -8.301 -8.388 1.00 10.00 H +ATOM 85 N SER B 53 9.771 -4.339 -8.283 1.00 10.00 N +ATOM 86 CA SER B 53 9.909 -3.054 -7.574 1.00 10.00 C +ATOM 87 C SER B 53 11.346 -2.620 -7.174 1.00 10.00 C +ATOM 88 O SER B 53 11.426 -1.669 -6.411 1.00 10.00 O +ATOM 89 CB SER B 53 8.982 -3.104 -6.346 1.00 10.00 C +ATOM 90 OG SER B 53 8.936 -4.396 -5.744 1.00 10.00 O +ATOM 91 H SER B 53 9.738 -5.151 -7.684 1.00 10.00 H +ATOM 92 HA SER B 53 9.544 -2.252 -8.215 1.00 10.00 H +ATOM 93 HB2 SER B 53 9.280 -2.378 -5.589 1.00 10.00 H +ATOM 94 HB3 SER B 53 7.970 -2.842 -6.653 1.00 10.00 H +ATOM 95 HG SER B 53 9.439 -4.377 -4.927 1.00 10.00 H +ATOM 96 N PRO B 54 12.488 -3.192 -7.623 1.00 10.00 N +ATOM 97 CA PRO B 54 13.830 -2.875 -7.102 1.00 10.00 C +ATOM 98 C PRO B 54 14.296 -1.459 -7.459 1.00 10.00 C +ATOM 99 O PRO B 54 15.291 -0.996 -6.909 1.00 10.00 O +ATOM 100 CB PRO B 54 14.760 -3.942 -7.662 1.00 10.00 C +ATOM 101 CG PRO B 54 14.124 -4.249 -9.012 1.00 10.00 C +ATOM 102 CD PRO B 54 12.639 -4.155 -8.683 1.00 10.00 C +ATOM 103 HA PRO B 54 13.839 -2.950 -6.015 1.00 10.00 H +ATOM 104 HB2 PRO B 54 15.785 -3.589 -7.771 1.00 10.00 H +ATOM 105 HB3 PRO B 54 14.728 -4.826 -7.024 1.00 10.00 H +ATOM 106 HG2 PRO B 54 14.383 -3.476 -9.736 1.00 10.00 H +ATOM 107 HG3 PRO B 54 14.395 -5.244 -9.365 1.00 10.00 H +ATOM 108 HD2 PRO B 54 12.079 -3.869 -9.573 1.00 10.00 H +ATOM 109 HD3 PRO B 54 12.293 -5.106 -8.277 1.00 10.00 H +ATOM 110 N SER B 55 13.622 -0.775 -8.386 1.00 10.00 N +ATOM 111 CA SER B 55 13.780 0.649 -8.689 1.00 10.00 C +ATOM 112 C SER B 55 12.896 1.507 -7.773 1.00 10.00 C +ATOM 113 O SER B 55 13.385 2.435 -7.132 1.00 10.00 O +ATOM 114 CB SER B 55 13.392 0.871 -10.152 1.00 10.00 C +ATOM 115 OG SER B 55 12.153 0.238 -10.461 1.00 10.00 O +ATOM 116 H SER B 55 12.863 -1.236 -8.866 1.00 10.00 H +ATOM 117 HA SER B 55 14.814 0.949 -8.516 1.00 10.00 H +ATOM 118 HB2 SER B 55 13.300 1.942 -10.332 1.00 10.00 H +ATOM 119 HB3 SER B 55 14.180 0.472 -10.791 1.00 10.00 H +ATOM 120 HG SER B 55 11.862 0.557 -11.318 1.00 10.00 H +ATOM 121 N ALA B 56 11.608 1.152 -7.661 1.00 10.00 N +ATOM 122 CA ALA B 56 10.645 1.704 -6.707 1.00 10.00 C +ATOM 123 C ALA B 56 11.115 1.539 -5.249 1.00 10.00 C +ATOM 124 O ALA B 56 10.752 2.319 -4.368 1.00 10.00 O +ATOM 125 CB ALA B 56 9.298 1.014 -6.939 1.00 10.00 C +ATOM 126 H ALA B 56 11.285 0.417 -8.273 1.00 10.00 H +ATOM 127 HA ALA B 56 10.541 2.770 -6.910 1.00 10.00 H +ATOM 128 HB1 ALA B 56 8.992 1.149 -7.977 1.00 10.00 H +ATOM 129 HB2 ALA B 56 9.385 -0.051 -6.726 1.00 10.00 H +ATOM 130 HB3 ALA B 56 8.539 1.439 -6.282 1.00 10.00 H +ATOM 131 N LEU B 57 11.970 0.557 -4.966 1.00 10.00 N +ATOM 132 CA LEU B 57 12.683 0.386 -3.701 1.00 10.00 C +ATOM 133 C LEU B 57 13.471 1.648 -3.337 1.00 10.00 C +ATOM 134 O LEU B 57 13.640 1.916 -2.158 1.00 10.00 O +ATOM 135 CB LEU B 57 13.596 -0.851 -3.832 1.00 10.00 C +ATOM 136 CG LEU B 57 14.599 -1.099 -2.692 1.00 10.00 C +ATOM 137 CD1 LEU B 57 13.912 -1.374 -1.356 1.00 10.00 C +ATOM 138 CD2 LEU B 57 15.456 -2.303 -3.084 1.00 10.00 C +ATOM 139 H LEU B 57 12.100 -0.127 -5.698 1.00 10.00 H +ATOM 140 HA LEU B 57 11.940 0.219 -2.921 1.00 10.00 H +ATOM 141 HB2 LEU B 57 12.982 -1.740 -3.970 1.00 10.00 H +ATOM 142 HB3 LEU B 57 14.195 -0.707 -4.731 1.00 10.00 H +ATOM 143 HG LEU B 57 15.251 -0.234 -2.569 1.00 10.00 H +ATOM 144 HD11 LEU B 57 13.339 -0.498 -1.053 1.00 10.00 H +ATOM 145 HD12 LEU B 57 13.236 -2.226 -1.434 1.00 10.00 H +ATOM 146 HD13 LEU B 57 14.670 -1.574 -0.599 1.00 10.00 H +ATOM 147 HD21 LEU B 57 16.197 -2.492 -2.307 1.00 10.00 H +ATOM 148 HD22 LEU B 57 14.829 -3.182 -3.230 1.00 10.00 H +ATOM 149 HD23 LEU B 57 15.999 -2.082 -4.003 1.00 10.00 H +ATOM 150 N GLN B 58 13.938 2.418 -4.328 1.00 10.00 N +ATOM 151 CA GLN B 58 14.489 3.741 -4.104 1.00 10.00 C +ATOM 152 C GLN B 58 13.356 4.767 -4.224 1.00 10.00 C +ATOM 153 O GLN B 58 13.068 5.482 -3.267 1.00 10.00 O +ATOM 154 CB GLN B 58 15.634 4.054 -5.089 1.00 10.00 C +ATOM 155 CG GLN B 58 16.905 3.226 -4.820 1.00 10.00 C +ATOM 156 CD GLN B 58 16.754 1.738 -5.144 1.00 10.00 C +ATOM 157 OE1 GLN B 58 16.940 0.873 -4.299 1.00 10.00 O +ATOM 158 NE2 GLN B 58 16.408 1.414 -6.372 1.00 10.00 N +ATOM 159 H GLN B 58 13.817 2.122 -5.286 1.00 10.00 H +ATOM 160 HA GLN B 58 14.883 3.829 -3.091 1.00 10.00 H +ATOM 161 HB2 GLN B 58 15.297 3.903 -6.115 1.00 10.00 H +ATOM 162 HB3 GLN B 58 15.891 5.107 -4.979 1.00 10.00 H +ATOM 163 HG2 GLN B 58 17.714 3.628 -5.431 1.00 10.00 H +ATOM 164 HG3 GLN B 58 17.195 3.325 -3.774 1.00 10.00 H +ATOM 165 HE21 GLN B 58 16.216 2.113 -7.075 1.00 10.00 H +ATOM 166 HE22 GLN B 58 16.195 0.437 -6.507 1.00 10.00 H +ATOM 167 N ASP B 59 12.679 4.824 -5.384 1.00 10.00 N +ATOM 168 CA ASP B 59 11.760 5.927 -5.685 1.00 10.00 C +ATOM 169 C ASP B 59 10.364 5.912 -5.043 1.00 10.00 C +ATOM 170 O ASP B 59 9.897 6.980 -4.649 1.00 10.00 O +ATOM 171 CB ASP B 59 11.670 6.185 -7.189 1.00 10.00 C +ATOM 172 CG ASP B 59 11.651 7.702 -7.423 1.00 10.00 C +ATOM 173 OD1 ASP B 59 12.630 8.369 -7.013 1.00 10.00 O +ATOM 174 OD2 ASP B 59 10.609 8.237 -7.873 1.00 10.00 O +ATOM 175 H ASP B 59 12.940 4.183 -6.120 1.00 10.00 H +ATOM 176 HA ASP B 59 12.238 6.803 -5.247 1.00 10.00 H +ATOM 177 HB2 ASP B 59 12.512 5.726 -7.706 1.00 10.00 H +ATOM 178 HB3 ASP B 59 10.767 5.723 -7.588 1.00 10.00 H +ATOM 179 N LEU B 60 9.691 4.761 -4.889 1.00 10.00 N +ATOM 180 CA LEU B 60 8.413 4.718 -4.157 1.00 10.00 C +ATOM 181 C LEU B 60 8.659 4.799 -2.641 1.00 10.00 C +ATOM 182 O LEU B 60 7.908 5.446 -1.918 1.00 10.00 O +ATOM 183 CB LEU B 60 7.642 3.465 -4.550 1.00 10.00 C +ATOM 184 CG LEU B 60 6.219 3.360 -3.962 1.00 10.00 C +ATOM 185 CD1 LEU B 60 5.369 4.640 -4.049 1.00 10.00 C +ATOM 186 CD2 LEU B 60 5.487 2.273 -4.746 1.00 10.00 C +ATOM 187 H LEU B 60 10.181 3.889 -5.034 1.00 10.00 H +ATOM 188 HA LEU B 60 7.812 5.562 -4.497 1.00 10.00 H +ATOM 189 HB2 LEU B 60 7.558 3.453 -5.636 1.00 10.00 H +ATOM 190 HB3 LEU B 60 8.196 2.578 -4.243 1.00 10.00 H +ATOM 191 HG LEU B 60 6.270 3.064 -2.915 1.00 10.00 H +ATOM 192 HD11 LEU B 60 5.781 5.409 -3.396 1.00 10.00 H +ATOM 193 HD12 LEU B 60 5.335 5.014 -5.073 1.00 10.00 H +ATOM 194 HD13 LEU B 60 4.355 4.423 -3.715 1.00 10.00 H +ATOM 195 HD21 LEU B 60 5.994 1.317 -4.618 1.00 10.00 H +ATOM 196 HD22 LEU B 60 4.461 2.183 -4.389 1.00 10.00 H +ATOM 197 HD23 LEU B 60 5.467 2.522 -5.807 1.00 10.00 H +ATOM 198 N LEU B 61 9.772 4.208 -2.192 1.00 10.00 N +ATOM 199 CA LEU B 61 10.265 4.332 -0.827 1.00 10.00 C +ATOM 200 C LEU B 61 10.523 5.807 -0.489 1.00 10.00 C +ATOM 201 O LEU B 61 9.856 6.329 0.403 1.00 10.00 O +ATOM 202 CB LEU B 61 11.488 3.419 -0.655 1.00 10.00 C +ATOM 203 CG LEU B 61 11.919 3.170 0.806 1.00 10.00 C +ATOM 204 CD1 LEU B 61 10.870 2.352 1.563 1.00 10.00 C +ATOM 205 CD2 LEU B 61 13.223 2.380 0.888 1.00 10.00 C +ATOM 206 H LEU B 61 10.300 3.657 -2.854 1.00 10.00 H +ATOM 207 HA LEU B 61 9.463 4.001 -0.167 1.00 10.00 H +ATOM 208 HB2 LEU B 61 11.276 2.457 -1.122 1.00 10.00 H +ATOM 209 HB3 LEU B 61 12.329 3.870 -1.180 1.00 10.00 H +ATOM 210 HG LEU B 61 12.058 4.129 1.306 1.00 10.00 H +ATOM 211 HD11 LEU B 61 11.261 1.976 2.508 1.00 10.00 H +ATOM 212 HD12 LEU B 61 10.008 2.983 1.780 1.00 10.00 H +ATOM 213 HD13 LEU B 61 10.553 1.496 0.966 1.00 10.00 H +ATOM 214 HD21 LEU B 61 13.092 1.401 0.426 1.00 10.00 H +ATOM 215 HD22 LEU B 61 14.019 2.907 0.362 1.00 10.00 H +ATOM 216 HD23 LEU B 61 13.518 2.229 1.926 1.00 10.00 H +ATOM 217 N ARG B 62 11.405 6.516 -1.216 1.00 10.00 N +ATOM 218 CA ARG B 62 11.626 7.950 -0.986 1.00 10.00 C +ATOM 219 C ARG B 62 10.365 8.791 -1.256 1.00 10.00 C +ATOM 220 O ARG B 62 10.201 9.805 -0.583 1.00 10.00 O +ATOM 221 CB ARG B 62 12.890 8.461 -1.717 1.00 10.00 C +ATOM 222 CG ARG B 62 12.771 8.579 -3.245 1.00 10.00 C +ATOM 223 CD ARG B 62 12.666 10.023 -3.751 1.00 10.00 C +ATOM 224 NE ARG B 62 11.899 10.073 -5.012 1.00 10.00 N +ATOM 225 CZ ARG B 62 10.674 10.547 -5.182 1.00 10.00 C +ATOM 226 NH1 ARG B 62 10.090 11.273 -4.255 1.00 10.00 N +ATOM 227 NH2 ARG B 62 9.989 10.276 -6.265 1.00 10.00 N +ATOM 228 H ARG B 62 11.928 6.035 -1.934 1.00 10.00 H +ATOM 229 HA ARG B 62 11.835 8.082 0.075 1.00 10.00 H +ATOM 230 HB2 ARG B 62 13.165 9.433 -1.308 1.00 10.00 H +ATOM 231 HB3 ARG B 62 13.712 7.783 -1.488 1.00 10.00 H +ATOM 232 HG2 ARG B 62 13.630 8.099 -3.713 1.00 10.00 H +ATOM 233 HG3 ARG B 62 11.875 8.033 -3.543 1.00 10.00 H +ATOM 234 HD2 ARG B 62 12.197 10.638 -2.983 1.00 10.00 H +ATOM 235 HD3 ARG B 62 13.670 10.416 -3.915 1.00 10.00 H +ATOM 236 HE ARG B 62 12.229 9.513 -5.785 1.00 10.00 H +ATOM 237 HH11 ARG B 62 10.601 11.563 -3.434 1.00 10.00 H +ATOM 238 HH12 ARG B 62 9.130 11.576 -4.339 1.00 10.00 H +ATOM 239 HH21 ARG B 62 10.338 9.605 -6.933 1.00 10.00 H +ATOM 240 HH22 ARG B 62 8.988 10.390 -6.193 1.00 10.00 H +ATOM 241 N THR B 63 9.450 8.357 -2.139 1.00 10.00 N +ATOM 242 CA THR B 63 8.131 8.989 -2.372 1.00 10.00 C +ATOM 243 C THR B 63 7.194 8.978 -1.168 1.00 10.00 C +ATOM 244 O THR B 63 6.308 9.834 -1.108 1.00 10.00 O +ATOM 245 CB THR B 63 7.420 8.365 -3.588 1.00 10.00 C +ATOM 246 OG1 THR B 63 8.093 8.775 -4.749 1.00 10.00 O +ATOM 247 CG2 THR B 63 5.945 8.704 -3.790 1.00 10.00 C +ATOM 248 H THR B 63 9.688 7.552 -2.701 1.00 10.00 H +ATOM 249 HA THR B 63 8.306 10.045 -2.579 1.00 10.00 H +ATOM 250 HB THR B 63 7.514 7.281 -3.524 1.00 10.00 H +ATOM 251 HG1 THR B 63 8.815 8.146 -4.816 1.00 10.00 H +ATOM 252 HG21 THR B 63 5.341 8.180 -3.049 1.00 10.00 H +ATOM 253 HG22 THR B 63 5.821 9.782 -3.691 1.00 10.00 H +ATOM 254 HG23 THR B 63 5.631 8.396 -4.788 1.00 10.00 H +ATOM 255 N LEU B 64 7.394 8.084 -0.191 1.00 10.00 N +ATOM 256 CA LEU B 64 6.635 8.143 1.063 1.00 10.00 C +ATOM 257 C LEU B 64 7.504 8.381 2.301 1.00 10.00 C +ATOM 258 O LEU B 64 6.989 8.896 3.294 1.00 10.00 O +ATOM 259 CB LEU B 64 5.718 6.917 1.197 1.00 10.00 C +ATOM 260 CG LEU B 64 4.256 7.342 1.456 1.00 10.00 C +ATOM 261 CD1 LEU B 64 3.522 7.619 0.132 1.00 10.00 C +ATOM 262 CD2 LEU B 64 3.546 6.236 2.246 1.00 10.00 C +ATOM 263 H LEU B 64 8.072 7.352 -0.351 1.00 10.00 H +ATOM 264 HA LEU B 64 6.001 9.028 1.030 1.00 10.00 H +ATOM 265 HB2 LEU B 64 5.751 6.293 0.303 1.00 10.00 H +ATOM 266 HB3 LEU B 64 6.100 6.304 2.013 1.00 10.00 H +ATOM 267 HG LEU B 64 4.229 8.250 2.059 1.00 10.00 H +ATOM 268 HD11 LEU B 64 2.517 7.977 0.356 1.00 10.00 H +ATOM 269 HD12 LEU B 64 4.045 8.383 -0.442 1.00 10.00 H +ATOM 270 HD13 LEU B 64 3.434 6.707 -0.460 1.00 10.00 H +ATOM 271 HD21 LEU B 64 3.811 5.258 1.844 1.00 10.00 H +ATOM 272 HD22 LEU B 64 3.876 6.284 3.284 1.00 10.00 H +ATOM 273 HD23 LEU B 64 2.465 6.368 2.218 1.00 10.00 H +ATOM 274 N LYS B 65 8.812 8.073 2.247 1.00 10.00 N +ATOM 275 CA LYS B 65 9.773 8.478 3.271 1.00 10.00 C +ATOM 276 C LYS B 65 9.846 10.004 3.282 1.00 10.00 C +ATOM 277 O LYS B 65 9.939 10.586 4.359 1.00 10.00 O +ATOM 278 CB LYS B 65 11.148 7.820 3.096 1.00 10.00 C +ATOM 279 CG LYS B 65 11.157 6.369 3.590 1.00 10.00 C +ATOM 280 CD LYS B 65 12.585 5.816 3.677 1.00 10.00 C +ATOM 281 CE LYS B 65 12.597 4.340 4.101 1.00 10.00 C +ATOM 282 NZ LYS B 65 12.088 4.148 5.489 1.00 10.00 N +ATOM 283 H LYS B 65 9.141 7.566 1.438 1.00 10.00 H +ATOM 284 HA LYS B 65 9.363 8.187 4.238 1.00 10.00 H +ATOM 285 HB2 LYS B 65 11.443 7.849 2.048 1.00 10.00 H +ATOM 286 HB3 LYS B 65 11.886 8.393 3.657 1.00 10.00 H +ATOM 287 HG2 LYS B 65 10.705 6.316 4.581 1.00 10.00 H +ATOM 288 HG3 LYS B 65 10.570 5.759 2.902 1.00 10.00 H +ATOM 289 HD2 LYS B 65 13.063 5.895 2.700 1.00 10.00 H +ATOM 290 HD3 LYS B 65 13.161 6.406 4.390 1.00 10.00 H +ATOM 291 HE2 LYS B 65 11.973 3.786 3.400 1.00 10.00 H +ATOM 292 HE3 LYS B 65 13.619 3.969 4.019 1.00 10.00 H +ATOM 293 HZ1 LYS B 65 12.663 4.649 6.151 1.00 10.00 H +ATOM 294 HZ2 LYS B 65 11.135 4.477 5.547 1.00 10.00 H +ATOM 295 HZ3 LYS B 65 12.094 3.167 5.729 1.00 10.00 H +ATOM 296 N SER B 66 9.848 10.659 2.105 1.00 10.00 N +ATOM 297 CA SER B 66 9.633 12.112 2.027 1.00 10.00 C +ATOM 298 C SER B 66 8.099 12.241 2.133 1.00 10.00 C +ATOM 299 O SER B 66 7.411 11.723 1.254 1.00 10.00 O +ATOM 300 CB SER B 66 10.228 12.774 0.775 1.00 10.00 C +ATOM 301 OG SER B 66 9.788 12.272 -0.459 1.00 10.00 O +ATOM 302 H SER B 66 9.776 10.136 1.244 1.00 10.00 H +ATOM 303 HA SER B 66 10.113 12.589 2.881 1.00 10.00 H +ATOM 304 HB2 SER B 66 10.000 13.840 0.799 1.00 10.00 H +ATOM 305 HB3 SER B 66 11.313 12.671 0.812 1.00 10.00 H +ATOM 306 HG SER B 66 9.920 11.321 -0.467 1.00 10.00 H +ATOM 307 N PRO B 67 7.535 12.797 3.223 1.00 10.00 N +ATOM 308 CA PRO B 67 6.102 12.719 3.489 1.00 10.00 C +ATOM 309 C PRO B 67 5.166 13.159 2.369 1.00 10.00 C +ATOM 310 O PRO B 67 5.446 14.109 1.641 1.00 10.00 O +ATOM 311 CB PRO B 67 5.866 13.543 4.763 1.00 10.00 C +ATOM 312 CG PRO B 67 7.203 13.468 5.483 1.00 10.00 C +ATOM 313 CD PRO B 67 8.206 13.450 4.338 1.00 10.00 C +ATOM 314 HA PRO B 67 5.881 11.671 3.693 1.00 10.00 H +ATOM 315 HB2 PRO B 67 5.670 14.582 4.497 1.00 10.00 H +ATOM 316 HB3 PRO B 67 5.048 13.141 5.361 1.00 10.00 H +ATOM 317 HG2 PRO B 67 7.364 14.327 6.135 1.00 10.00 H +ATOM 318 HG3 PRO B 67 7.273 12.534 6.041 1.00 10.00 H +ATOM 319 HD2 PRO B 67 8.463 14.468 4.045 1.00 10.00 H +ATOM 320 HD3 PRO B 67 9.100 12.914 4.658 1.00 10.00 H +ATOM 321 N SER B 68 3.975 12.550 2.352 1.00 10.00 N +ATOM 322 CA SER B 68 2.846 12.855 1.467 1.00 10.00 C +ATOM 323 C SER B 68 2.257 14.272 1.594 1.00 10.00 C +ATOM 324 O SER B 68 1.080 14.455 1.298 1.00 10.00 O +ATOM 325 CB SER B 68 1.744 11.796 1.618 1.00 10.00 C +ATOM 326 OG SER B 68 2.266 10.501 1.393 1.00 10.00 O +ATOM 327 H SER B 68 3.861 11.751 2.960 1.00 10.00 H +ATOM 328 HA SER B 68 3.207 12.770 0.442 1.00 10.00 H +ATOM 329 HB2 SER B 68 1.325 11.863 2.622 1.00 10.00 H +ATOM 330 HB3 SER B 68 0.956 11.990 0.891 1.00 10.00 H +ATOM 331 HG SER B 68 2.662 10.472 0.519 1.00 10.00 H +ATOM 332 N SER B 69 3.018 15.259 2.079 1.00 10.00 N +ATOM 333 CA SER B 69 2.674 16.685 2.027 1.00 10.00 C +ATOM 334 C SER B 69 3.244 17.258 0.711 1.00 10.00 C +ATOM 335 O SER B 69 2.454 17.522 -0.193 1.00 10.00 O +ATOM 336 CB SER B 69 3.068 17.412 3.320 1.00 10.00 C +ATOM 337 OG SER B 69 2.891 18.808 3.169 1.00 10.00 O +ATOM 338 H SER B 69 3.987 15.011 2.220 1.00 10.00 H +ATOM 339 HA SER B 69 1.591 16.764 1.929 1.00 10.00 H +ATOM 340 HB2 SER B 69 2.440 17.055 4.136 1.00 10.00 H +ATOM 341 HB3 SER B 69 4.108 17.204 3.571 1.00 10.00 H +ATOM 342 HG SER B 69 1.954 19.015 3.178 1.00 10.00 H +ATOM 343 N PRO B 70 4.580 17.373 0.506 1.00 10.00 N +ATOM 344 CA PRO B 70 5.125 17.685 -0.815 1.00 10.00 C +ATOM 345 C PRO B 70 4.942 16.492 -1.765 1.00 10.00 C +ATOM 346 O PRO B 70 4.902 16.666 -2.983 1.00 10.00 O +ATOM 347 CB PRO B 70 6.601 18.009 -0.585 1.00 10.00 C +ATOM 348 CG PRO B 70 6.955 17.235 0.685 1.00 10.00 C +ATOM 349 CD PRO B 70 5.661 17.328 1.492 1.00 10.00 C +ATOM 350 HA PRO B 70 4.619 18.548 -1.248 1.00 10.00 H +ATOM 351 HB2 PRO B 70 7.230 17.710 -1.424 1.00 10.00 H +ATOM 352 HB3 PRO B 70 6.710 19.076 -0.391 1.00 10.00 H +ATOM 353 HG2 PRO B 70 7.164 16.196 0.428 1.00 10.00 H +ATOM 354 HG3 PRO B 70 7.804 17.681 1.202 1.00 10.00 H +ATOM 355 HD2 PRO B 70 5.568 16.464 2.150 1.00 10.00 H +ATOM 356 HD3 PRO B 70 5.654 18.249 2.075 1.00 10.00 H +ATOM 357 N GLN B 71 4.843 15.264 -1.230 1.00 10.00 N +ATOM 358 CA GLN B 71 4.461 14.048 -1.944 1.00 10.00 C +ATOM 359 C GLN B 71 2.942 13.748 -1.941 1.00 10.00 C +ATOM 360 O GLN B 71 2.559 12.580 -2.046 1.00 10.00 O +ATOM 361 CB GLN B 71 5.349 12.888 -1.459 1.00 10.00 C +ATOM 362 CG GLN B 71 6.841 13.107 -1.745 1.00 10.00 C +ATOM 363 CD GLN B 71 7.176 13.243 -3.236 1.00 10.00 C +ATOM 364 OE1 GLN B 71 7.596 12.305 -3.902 1.00 10.00 O +ATOM 365 NE2 GLN B 71 7.034 14.416 -3.827 1.00 10.00 N +ATOM 366 H GLN B 71 4.984 15.194 -0.232 1.00 10.00 H +ATOM 367 HA GLN B 71 4.684 14.191 -3.002 1.00 10.00 H +ATOM 368 HB2 GLN B 71 5.222 12.743 -0.386 1.00 10.00 H +ATOM 369 HB3 GLN B 71 5.042 11.973 -1.966 1.00 10.00 H +ATOM 370 HG2 GLN B 71 7.194 13.990 -1.212 1.00 10.00 H +ATOM 371 HG3 GLN B 71 7.383 12.246 -1.355 1.00 10.00 H +ATOM 372 HE21 GLN B 71 6.633 15.222 -3.369 1.00 10.00 H +ATOM 373 HE22 GLN B 71 7.283 14.431 -4.806 1.00 10.00 H +ATOM 374 N GLN B 72 2.064 14.754 -1.777 1.00 10.00 N +ATOM 375 CA GLN B 72 0.599 14.528 -1.748 1.00 10.00 C +ATOM 376 C GLN B 72 -0.010 14.011 -3.060 1.00 10.00 C +ATOM 377 O GLN B 72 -1.116 13.473 -3.041 1.00 10.00 O +ATOM 378 CB GLN B 72 -0.134 15.818 -1.313 1.00 10.00 C +ATOM 379 CG GLN B 72 0.008 16.981 -2.309 1.00 10.00 C +ATOM 380 CD GLN B 72 -0.544 18.287 -1.743 1.00 10.00 C +ATOM 381 OE1 GLN B 72 -1.638 18.723 -2.059 1.00 10.00 O +ATOM 382 NE2 GLN B 72 0.199 18.936 -0.874 1.00 10.00 N +ATOM 383 H GLN B 72 2.394 15.697 -1.626 1.00 10.00 H +ATOM 384 HA GLN B 72 0.397 13.756 -1.006 1.00 10.00 H +ATOM 385 HB2 GLN B 72 -1.193 15.602 -1.174 1.00 10.00 H +ATOM 386 HB3 GLN B 72 0.253 16.138 -0.346 1.00 10.00 H +ATOM 387 HG2 GLN B 72 1.061 17.135 -2.544 1.00 10.00 H +ATOM 388 HG3 GLN B 72 -0.533 16.739 -3.224 1.00 10.00 H +ATOM 389 HE21 GLN B 72 1.095 18.554 -0.610 1.00 10.00 H +ATOM 390 HE22 GLN B 72 -0.178 19.801 -0.512 1.00 10.00 H +ATOM 391 N GLN B 73 0.682 14.192 -4.184 1.00 10.00 N +ATOM 392 CA GLN B 73 0.152 13.938 -5.525 1.00 10.00 C +ATOM 393 C GLN B 73 0.172 12.450 -5.908 1.00 10.00 C +ATOM 394 O GLN B 73 0.831 11.609 -5.300 1.00 10.00 O +ATOM 395 CB GLN B 73 0.916 14.754 -6.585 1.00 10.00 C +ATOM 396 CG GLN B 73 1.047 16.268 -6.324 1.00 10.00 C +ATOM 397 CD GLN B 73 2.108 16.715 -5.309 1.00 10.00 C +ATOM 398 OE1 GLN B 73 2.097 17.843 -4.839 1.00 10.00 O +ATOM 399 NE2 GLN B 73 3.063 15.893 -4.914 1.00 10.00 N +ATOM 400 H GLN B 73 1.603 14.600 -4.105 1.00 10.00 H +ATOM 401 HA GLN B 73 -0.894 14.246 -5.541 1.00 10.00 H +ATOM 402 HB2 GLN B 73 1.906 14.329 -6.749 1.00 10.00 H +ATOM 403 HB3 GLN B 73 0.381 14.646 -7.529 1.00 10.00 H +ATOM 404 HG2 GLN B 73 1.297 16.745 -7.272 1.00 10.00 H +ATOM 405 HG3 GLN B 73 0.082 16.657 -6.002 1.00 10.00 H +ATOM 406 HE21 GLN B 73 3.218 14.953 -5.249 1.00 10.00 H +ATOM 407 HE22 GLN B 73 3.724 16.320 -4.280 1.00 10.00 H +ATOM 408 N GLN B 74 -0.437 12.158 -7.057 1.00 10.00 N +ATOM 409 CA GLN B 74 -0.433 10.890 -7.801 1.00 10.00 C +ATOM 410 C GLN B 74 0.978 10.362 -8.158 1.00 10.00 C +ATOM 411 O GLN B 74 1.072 9.296 -8.757 1.00 10.00 O +ATOM 412 CB GLN B 74 -1.293 11.064 -9.075 1.00 10.00 C +ATOM 413 CG GLN B 74 -2.813 11.146 -8.840 1.00 10.00 C +ATOM 414 CD GLN B 74 -3.302 12.392 -8.084 1.00 10.00 C +ATOM 415 OE1 GLN B 74 -2.662 13.438 -8.083 1.00 10.00 O +ATOM 416 NE2 GLN B 74 -4.441 12.291 -7.428 1.00 10.00 N +ATOM 417 H GLN B 74 -1.006 12.890 -7.459 1.00 10.00 H +ATOM 418 HA GLN B 74 -0.900 10.120 -7.187 1.00 10.00 H +ATOM 419 HB2 GLN B 74 -0.960 11.939 -9.633 1.00 10.00 H +ATOM 420 HB3 GLN B 74 -1.125 10.204 -9.724 1.00 10.00 H +ATOM 421 HG2 GLN B 74 -3.315 11.129 -9.807 1.00 10.00 H +ATOM 422 HG3 GLN B 74 -3.124 10.253 -8.297 1.00 10.00 H +ATOM 423 HE21 GLN B 74 -4.993 11.445 -7.419 1.00 10.00 H +ATOM 424 HE22 GLN B 74 -4.739 13.074 -6.864 1.00 10.00 H +ATOM 425 N GLN B 75 2.077 11.028 -7.769 1.00 10.00 N +ATOM 426 CA GLN B 75 3.420 10.468 -7.899 1.00 10.00 C +ATOM 427 C GLN B 75 3.590 9.170 -7.100 1.00 10.00 C +ATOM 428 O GLN B 75 4.413 8.346 -7.491 1.00 10.00 O +ATOM 429 CB GLN B 75 4.524 11.510 -7.637 1.00 10.00 C +ATOM 430 CG GLN B 75 5.074 11.639 -6.204 1.00 10.00 C +ATOM 431 CD GLN B 75 4.050 12.095 -5.173 1.00 10.00 C +ATOM 432 OE1 GLN B 75 3.559 13.217 -5.215 1.00 10.00 O +ATOM 433 NE2 GLN B 75 3.737 11.257 -4.207 1.00 10.00 N +ATOM 434 H GLN B 75 1.945 11.868 -7.224 1.00 10.00 H +ATOM 435 HA GLN B 75 3.512 10.162 -8.941 1.00 10.00 H +ATOM 436 HB2 GLN B 75 5.371 11.231 -8.264 1.00 10.00 H +ATOM 437 HB3 GLN B 75 4.173 12.485 -7.974 1.00 10.00 H +ATOM 438 HG2 GLN B 75 5.510 10.689 -5.894 1.00 10.00 H +ATOM 439 HG3 GLN B 75 5.886 12.366 -6.219 1.00 10.00 H +ATOM 440 HE21 GLN B 75 4.183 10.354 -4.131 1.00 10.00 H +ATOM 441 HE22 GLN B 75 3.124 11.574 -3.469 1.00 10.00 H +ATOM 442 N VAL B 76 2.783 8.948 -6.048 1.00 10.00 N +ATOM 443 CA VAL B 76 2.738 7.639 -5.392 1.00 10.00 C +ATOM 444 C VAL B 76 2.124 6.664 -6.390 1.00 10.00 C +ATOM 445 O VAL B 76 2.721 5.643 -6.711 1.00 10.00 O +ATOM 446 CB VAL B 76 1.899 7.597 -4.089 1.00 10.00 C +ATOM 447 CG1 VAL B 76 2.310 6.395 -3.255 1.00 10.00 C +ATOM 448 CG2 VAL B 76 1.984 8.805 -3.166 1.00 10.00 C +ATOM 449 H VAL B 76 2.121 9.665 -5.785 1.00 10.00 H +ATOM 450 HA VAL B 76 3.754 7.289 -5.208 1.00 10.00 H +ATOM 451 HB VAL B 76 0.844 7.490 -4.341 1.00 10.00 H +ATOM 452 HG11 VAL B 76 1.653 6.308 -2.390 1.00 10.00 H +ATOM 453 HG12 VAL B 76 2.251 5.477 -3.840 1.00 10.00 H +ATOM 454 HG13 VAL B 76 3.333 6.541 -2.907 1.00 10.00 H +ATOM 455 HG21 VAL B 76 1.588 9.677 -3.686 1.00 10.00 H +ATOM 456 HG22 VAL B 76 1.348 8.616 -2.301 1.00 10.00 H +ATOM 457 HG23 VAL B 76 3.011 8.970 -2.839 1.00 10.00 H +ATOM 458 N LEU B 77 0.931 7.005 -6.885 1.00 10.00 N +ATOM 459 CA LEU B 77 0.085 6.174 -7.733 1.00 10.00 C +ATOM 460 C LEU B 77 0.794 5.774 -9.043 1.00 10.00 C +ATOM 461 O LEU B 77 0.669 4.642 -9.522 1.00 10.00 O +ATOM 462 CB LEU B 77 -1.257 6.900 -7.972 1.00 10.00 C +ATOM 463 CG LEU B 77 -2.459 5.997 -7.628 1.00 10.00 C +ATOM 464 CD1 LEU B 77 -3.756 6.802 -7.596 1.00 10.00 C +ATOM 465 CD2 LEU B 77 -2.602 4.840 -8.620 1.00 10.00 C +ATOM 466 H LEU B 77 0.565 7.906 -6.614 1.00 10.00 H +ATOM 467 HA LEU B 77 -0.124 5.276 -7.152 1.00 10.00 H +ATOM 468 HB2 LEU B 77 -1.329 7.791 -7.349 1.00 10.00 H +ATOM 469 HB3 LEU B 77 -1.323 7.226 -9.010 1.00 10.00 H +ATOM 470 HG LEU B 77 -2.316 5.562 -6.639 1.00 10.00 H +ATOM 471 HD11 LEU B 77 -3.964 7.248 -8.568 1.00 10.00 H +ATOM 472 HD12 LEU B 77 -4.579 6.146 -7.308 1.00 10.00 H +ATOM 473 HD13 LEU B 77 -3.691 7.589 -6.844 1.00 10.00 H +ATOM 474 HD21 LEU B 77 -3.498 4.268 -8.379 1.00 10.00 H +ATOM 475 HD22 LEU B 77 -2.675 5.235 -9.634 1.00 10.00 H +ATOM 476 HD23 LEU B 77 -1.743 4.174 -8.542 1.00 10.00 H +ATOM 477 N ASN B 78 1.608 6.688 -9.577 1.00 10.00 N +ATOM 478 CA ASN B 78 2.428 6.474 -10.761 1.00 10.00 C +ATOM 479 C ASN B 78 3.603 5.508 -10.541 1.00 10.00 C +ATOM 480 O ASN B 78 3.978 4.830 -11.499 1.00 10.00 O +ATOM 481 CB ASN B 78 2.914 7.849 -11.270 1.00 10.00 C +ATOM 482 CG ASN B 78 3.480 7.794 -12.680 1.00 10.00 C +ATOM 483 OD1 ASN B 78 2.983 7.078 -13.542 1.00 10.00 O +ATOM 484 ND2 ASN B 78 4.544 8.529 -12.948 1.00 10.00 N +ATOM 485 H ASN B 78 1.582 7.612 -9.171 1.00 10.00 H +ATOM 486 HA ASN B 78 1.788 6.015 -11.514 1.00 10.00 H +ATOM 487 HB2 ASN B 78 2.062 8.528 -11.303 1.00 10.00 H +ATOM 488 HB3 ASN B 78 3.652 8.253 -10.578 1.00 10.00 H +ATOM 489 HD21 ASN B 78 4.976 9.111 -12.244 1.00 10.00 H +ATOM 490 HD22 ASN B 78 4.893 8.486 -13.895 1.00 10.00 H +ATOM 491 N ILE B 79 4.175 5.392 -9.339 1.00 10.00 N +ATOM 492 CA ILE B 79 5.192 4.358 -9.063 1.00 10.00 C +ATOM 493 C ILE B 79 4.536 3.062 -8.538 1.00 10.00 C +ATOM 494 O ILE B 79 4.943 1.969 -8.937 1.00 10.00 O +ATOM 495 CB ILE B 79 6.334 4.866 -8.155 1.00 10.00 C +ATOM 496 CG1 ILE B 79 6.906 6.245 -8.568 1.00 10.00 C +ATOM 497 CG2 ILE B 79 7.495 3.852 -8.213 1.00 10.00 C +ATOM 498 CD1 ILE B 79 7.533 6.979 -7.380 1.00 10.00 C +ATOM 499 H ILE B 79 3.857 5.974 -8.577 1.00 10.00 H +ATOM 500 HA ILE B 79 5.672 4.087 -10.003 1.00 10.00 H +ATOM 501 HB ILE B 79 5.953 4.938 -7.136 1.00 10.00 H +ATOM 502 HG12 ILE B 79 7.667 6.118 -9.338 1.00 10.00 H +ATOM 503 HG13 ILE B 79 6.118 6.887 -8.964 1.00 10.00 H +ATOM 504 HG21 ILE B 79 7.830 3.713 -9.240 1.00 10.00 H +ATOM 505 HG22 ILE B 79 8.333 4.205 -7.611 1.00 10.00 H +ATOM 506 HG23 ILE B 79 7.158 2.891 -7.825 1.00 10.00 H +ATOM 507 HD11 ILE B 79 7.850 7.975 -7.690 1.00 10.00 H +ATOM 508 HD12 ILE B 79 6.806 7.065 -6.574 1.00 10.00 H +ATOM 509 HD13 ILE B 79 8.400 6.424 -7.021 1.00 10.00 H +ATOM 510 N LEU B 80 3.463 3.189 -7.733 1.00 10.00 N +ATOM 511 CA LEU B 80 2.600 2.133 -7.178 1.00 10.00 C +ATOM 512 C LEU B 80 2.301 1.057 -8.214 1.00 10.00 C +ATOM 513 O LEU B 80 2.476 -0.129 -7.945 1.00 10.00 O +ATOM 514 CB LEU B 80 1.273 2.769 -6.698 1.00 10.00 C +ATOM 515 CG LEU B 80 1.131 3.022 -5.186 1.00 10.00 C +ATOM 516 CD1 LEU B 80 0.021 4.007 -4.810 1.00 10.00 C +ATOM 517 CD2 LEU B 80 0.752 1.716 -4.497 1.00 10.00 C +ATOM 518 H LEU B 80 3.207 4.127 -7.459 1.00 10.00 H +ATOM 519 HA LEU B 80 3.111 1.655 -6.341 1.00 10.00 H +ATOM 520 HB2 LEU B 80 1.158 3.719 -7.221 1.00 10.00 H +ATOM 521 HB3 LEU B 80 0.435 2.158 -7.032 1.00 10.00 H +ATOM 522 HG LEU B 80 2.071 3.406 -4.791 1.00 10.00 H +ATOM 523 HD11 LEU B 80 -0.909 3.734 -5.310 1.00 10.00 H +ATOM 524 HD12 LEU B 80 -0.158 3.990 -3.735 1.00 10.00 H +ATOM 525 HD13 LEU B 80 0.301 5.024 -5.087 1.00 10.00 H +ATOM 526 HD21 LEU B 80 -0.216 1.367 -4.858 1.00 10.00 H +ATOM 527 HD22 LEU B 80 1.508 0.953 -4.682 1.00 10.00 H +ATOM 528 HD23 LEU B 80 0.666 1.904 -3.427 1.00 10.00 H +ATOM 529 N LYS B 81 1.852 1.480 -9.400 1.00 10.00 N +ATOM 530 CA LYS B 81 1.420 0.590 -10.481 1.00 10.00 C +ATOM 531 C LYS B 81 2.491 -0.386 -11.004 1.00 10.00 C +ATOM 532 O LYS B 81 2.146 -1.363 -11.660 1.00 10.00 O +ATOM 533 CB LYS B 81 0.836 1.443 -11.617 1.00 10.00 C +ATOM 534 CG LYS B 81 1.920 2.182 -12.423 1.00 10.00 C +ATOM 535 CD LYS B 81 1.303 3.197 -13.399 1.00 10.00 C +ATOM 536 CE LYS B 81 2.258 3.582 -14.537 1.00 10.00 C +ATOM 537 NZ LYS B 81 3.362 4.473 -14.103 1.00 10.00 N +ATOM 538 H LYS B 81 1.709 2.475 -9.499 1.00 10.00 H +ATOM 539 HA LYS B 81 0.611 -0.025 -10.088 1.00 10.00 H +ATOM 540 HB2 LYS B 81 0.285 0.795 -12.297 1.00 10.00 H +ATOM 541 HB3 LYS B 81 0.134 2.159 -11.190 1.00 10.00 H +ATOM 542 HG2 LYS B 81 2.608 2.692 -11.750 1.00 10.00 H +ATOM 543 HG3 LYS B 81 2.481 1.450 -13.004 1.00 10.00 H +ATOM 544 HD2 LYS B 81 0.417 2.749 -13.849 1.00 10.00 H +ATOM 545 HD3 LYS B 81 0.984 4.080 -12.845 1.00 10.00 H +ATOM 546 HE2 LYS B 81 2.669 2.673 -14.974 1.00 10.00 H +ATOM 547 HE3 LYS B 81 1.680 4.066 -15.325 1.00 10.00 H +ATOM 548 HZ1 LYS B 81 3.719 4.217 -13.193 1.00 10.00 H +ATOM 549 HZ2 LYS B 81 4.116 4.469 -14.774 1.00 10.00 H +ATOM 550 HZ3 LYS B 81 3.053 5.429 -13.995 1.00 10.00 H +ATOM 551 N SER B 82 3.780 -0.113 -10.754 1.00 10.00 N +ATOM 552 CA SER B 82 4.922 -0.834 -11.350 1.00 10.00 C +ATOM 553 C SER B 82 5.029 -2.294 -10.906 1.00 10.00 C +ATOM 554 O SER B 82 5.094 -3.183 -11.758 1.00 10.00 O +ATOM 555 CB SER B 82 6.236 -0.089 -11.047 1.00 10.00 C +ATOM 556 OG SER B 82 6.450 0.057 -9.650 1.00 10.00 O +ATOM 557 H SER B 82 3.959 0.684 -10.161 1.00 10.00 H +ATOM 558 HA SER B 82 4.784 -0.870 -12.430 1.00 10.00 H +ATOM 559 HB2 SER B 82 7.070 -0.652 -11.466 1.00 10.00 H +ATOM 560 HB3 SER B 82 6.195 0.899 -11.504 1.00 10.00 H +ATOM 561 HG SER B 82 5.903 0.779 -9.331 1.00 10.00 H +ATOM 562 N ASN B 83 5.028 -2.556 -9.592 1.00 10.00 N +ATOM 563 CA ASN B 83 4.905 -3.901 -9.045 1.00 10.00 C +ATOM 564 C ASN B 83 3.420 -4.181 -8.766 1.00 10.00 C +ATOM 565 O ASN B 83 2.865 -3.607 -7.828 1.00 10.00 O +ATOM 566 CB ASN B 83 5.818 -4.098 -7.830 1.00 10.00 C +ATOM 567 CG ASN B 83 5.715 -5.497 -7.235 1.00 10.00 C +ATOM 568 OD1 ASN B 83 4.716 -6.198 -7.345 1.00 10.00 O +ATOM 569 ND2 ASN B 83 6.765 -5.992 -6.634 1.00 10.00 N +ATOM 570 H ASN B 83 4.981 -1.757 -8.976 1.00 10.00 H +ATOM 571 HA ASN B 83 5.275 -4.601 -9.795 1.00 10.00 H +ATOM 572 HB2 ASN B 83 6.845 -3.934 -8.156 1.00 10.00 H +ATOM 573 HB3 ASN B 83 5.591 -3.362 -7.058 1.00 10.00 H +ATOM 574 HD21 ASN B 83 7.581 -5.434 -6.428 1.00 10.00 H +ATOM 575 HD22 ASN B 83 6.638 -6.955 -6.357 1.00 10.00 H +ATOM 576 N PRO B 84 2.752 -5.052 -9.546 1.00 10.00 N +ATOM 577 CA PRO B 84 1.311 -5.283 -9.422 1.00 10.00 C +ATOM 578 C PRO B 84 0.945 -5.899 -8.058 1.00 10.00 C +ATOM 579 O PRO B 84 -0.110 -5.604 -7.505 1.00 10.00 O +ATOM 580 CB PRO B 84 0.948 -6.229 -10.582 1.00 10.00 C +ATOM 581 CG PRO B 84 2.126 -6.112 -11.543 1.00 10.00 C +ATOM 582 CD PRO B 84 3.303 -5.886 -10.602 1.00 10.00 C +ATOM 583 HA PRO B 84 0.784 -4.338 -9.550 1.00 10.00 H +ATOM 584 HB2 PRO B 84 0.863 -7.254 -10.221 1.00 10.00 H +ATOM 585 HB3 PRO B 84 0.020 -5.918 -11.061 1.00 10.00 H +ATOM 586 HG2 PRO B 84 2.262 -7.013 -12.141 1.00 10.00 H +ATOM 587 HG3 PRO B 84 2.010 -5.243 -12.191 1.00 10.00 H +ATOM 588 HD2 PRO B 84 3.656 -6.816 -10.156 1.00 10.00 H +ATOM 589 HD3 PRO B 84 4.122 -5.418 -11.148 1.00 10.00 H +ATOM 590 N GLN B 85 1.838 -6.720 -7.498 1.00 10.00 N +ATOM 591 CA GLN B 85 1.674 -7.312 -6.163 1.00 10.00 C +ATOM 592 C GLN B 85 1.823 -6.259 -5.073 1.00 10.00 C +ATOM 593 O GLN B 85 1.056 -6.283 -4.119 1.00 10.00 O +ATOM 594 CB GLN B 85 2.679 -8.450 -5.921 1.00 10.00 C +ATOM 595 CG GLN B 85 2.404 -9.630 -6.844 1.00 10.00 C +ATOM 596 CD GLN B 85 3.524 -10.651 -6.761 1.00 10.00 C +ATOM 597 OE1 GLN B 85 3.413 -11.681 -6.108 1.00 10.00 O +ATOM 598 NE2 GLN B 85 4.612 -10.384 -7.449 1.00 10.00 N +ATOM 599 H GLN B 85 2.738 -6.813 -7.946 1.00 10.00 H +ATOM 600 HA GLN B 85 0.660 -7.705 -6.089 1.00 10.00 H +ATOM 601 HB2 GLN B 85 3.697 -8.092 -6.076 1.00 10.00 H +ATOM 602 HB3 GLN B 85 2.579 -8.807 -4.896 1.00 10.00 H +ATOM 603 HG2 GLN B 85 1.456 -10.080 -6.550 1.00 10.00 H +ATOM 604 HG3 GLN B 85 2.312 -9.298 -7.878 1.00 10.00 H +ATOM 605 HE21 GLN B 85 4.691 -9.528 -7.980 1.00 10.00 H +ATOM 606 HE22 GLN B 85 5.352 -11.070 -7.480 1.00 10.00 H +ATOM 607 N LEU B 86 2.763 -5.311 -5.212 1.00 10.00 N +ATOM 608 CA LEU B 86 2.847 -4.141 -4.330 1.00 10.00 C +ATOM 609 C LEU B 86 1.559 -3.332 -4.428 1.00 10.00 C +ATOM 610 O LEU B 86 0.995 -2.985 -3.396 1.00 10.00 O +ATOM 611 CB LEU B 86 4.101 -3.301 -4.629 1.00 10.00 C +ATOM 612 CG LEU B 86 4.360 -2.054 -3.746 1.00 10.00 C +ATOM 613 CD1 LEU B 86 3.575 -0.827 -4.218 1.00 10.00 C +ATOM 614 CD2 LEU B 86 4.104 -2.239 -2.242 1.00 10.00 C +ATOM 615 H LEU B 86 3.361 -5.394 -6.021 1.00 10.00 H +ATOM 616 HA LEU B 86 2.930 -4.494 -3.302 1.00 10.00 H +ATOM 617 HB2 LEU B 86 4.978 -3.944 -4.544 1.00 10.00 H +ATOM 618 HB3 LEU B 86 4.029 -2.963 -5.663 1.00 10.00 H +ATOM 619 HG LEU B 86 5.416 -1.816 -3.872 1.00 10.00 H +ATOM 620 HD11 LEU B 86 3.967 0.053 -3.709 1.00 10.00 H +ATOM 621 HD12 LEU B 86 3.690 -0.689 -5.293 1.00 10.00 H +ATOM 622 HD13 LEU B 86 2.521 -0.924 -3.960 1.00 10.00 H +ATOM 623 HD21 LEU B 86 4.385 -1.327 -1.715 1.00 10.00 H +ATOM 624 HD22 LEU B 86 3.048 -2.407 -2.032 1.00 10.00 H +ATOM 625 HD23 LEU B 86 4.694 -3.069 -1.855 1.00 10.00 H +ATOM 626 N MET B 87 1.054 -3.071 -5.633 1.00 10.00 N +ATOM 627 CA MET B 87 -0.213 -2.354 -5.826 1.00 10.00 C +ATOM 628 C MET B 87 -1.378 -3.063 -5.137 1.00 10.00 C +ATOM 629 O MET B 87 -2.115 -2.455 -4.360 1.00 10.00 O +ATOM 630 CB MET B 87 -0.476 -2.140 -7.318 1.00 10.00 C +ATOM 631 CG MET B 87 -0.828 -0.688 -7.575 1.00 10.00 C +ATOM 632 SD MET B 87 -2.380 -0.156 -6.830 1.00 10.00 S +ATOM 633 CE MET B 87 -2.257 1.590 -7.244 1.00 10.00 C +ATOM 634 H MET B 87 1.604 -3.325 -6.442 1.00 10.00 H +ATOM 635 HA MET B 87 -0.112 -1.388 -5.331 1.00 10.00 H +ATOM 636 HB2 MET B 87 0.416 -2.379 -7.896 1.00 10.00 H +ATOM 637 HB3 MET B 87 -1.285 -2.784 -7.664 1.00 10.00 H +ATOM 638 HG2 MET B 87 -0.021 -0.066 -7.188 1.00 10.00 H +ATOM 639 HG3 MET B 87 -0.898 -0.515 -8.649 1.00 10.00 H +ATOM 640 HE1 MET B 87 -1.601 1.726 -8.104 1.00 10.00 H +ATOM 641 HE2 MET B 87 -3.249 1.965 -7.496 1.00 10.00 H +ATOM 642 HE3 MET B 87 -1.878 2.131 -6.377 1.00 10.00 H +ATOM 643 N ALA B 88 -1.541 -4.371 -5.366 1.00 10.00 N +ATOM 644 CA ALA B 88 -2.560 -5.149 -4.675 1.00 10.00 C +ATOM 645 C ALA B 88 -2.333 -5.219 -3.162 1.00 10.00 C +ATOM 646 O ALA B 88 -3.294 -5.083 -2.415 1.00 10.00 O +ATOM 647 CB ALA B 88 -2.634 -6.549 -5.292 1.00 10.00 C +ATOM 648 H ALA B 88 -0.943 -4.838 -6.034 1.00 10.00 H +ATOM 649 HA ALA B 88 -3.516 -4.646 -4.820 1.00 10.00 H +ATOM 650 HB1 ALA B 88 -1.687 -7.070 -5.149 1.00 10.00 H +ATOM 651 HB2 ALA B 88 -3.435 -7.131 -4.836 1.00 10.00 H +ATOM 652 HB3 ALA B 88 -2.827 -6.449 -6.360 1.00 10.00 H +ATOM 653 N ALA B 89 -1.092 -5.405 -2.688 1.00 10.00 N +ATOM 654 CA ALA B 89 -0.740 -5.394 -1.265 1.00 10.00 C +ATOM 655 C ALA B 89 -1.029 -4.038 -0.611 1.00 10.00 C +ATOM 656 O ALA B 89 -1.537 -4.001 0.508 1.00 10.00 O +ATOM 657 CB ALA B 89 0.725 -5.801 -1.078 1.00 10.00 C +ATOM 658 H ALA B 89 -0.347 -5.564 -3.351 1.00 10.00 H +ATOM 659 HA ALA B 89 -1.370 -6.122 -0.754 1.00 10.00 H +ATOM 660 HB1 ALA B 89 0.896 -6.811 -1.450 1.00 10.00 H +ATOM 661 HB2 ALA B 89 1.383 -5.109 -1.605 1.00 10.00 H +ATOM 662 HB3 ALA B 89 0.958 -5.767 -0.014 1.00 10.00 H +ATOM 663 N PHE B 90 -0.765 -2.928 -1.323 1.00 10.00 N +ATOM 664 CA PHE B 90 -1.186 -1.592 -0.920 1.00 10.00 C +ATOM 665 C PHE B 90 -2.699 -1.608 -0.775 1.00 10.00 C +ATOM 666 O PHE B 90 -3.183 -1.453 0.332 1.00 10.00 O +ATOM 667 CB PHE B 90 -0.735 -0.529 -1.943 1.00 10.00 C +ATOM 668 CG PHE B 90 -1.358 0.856 -1.778 1.00 10.00 C +ATOM 669 CD1 PHE B 90 -0.794 1.764 -0.863 1.00 10.00 C +ATOM 670 CD2 PHE B 90 -2.439 1.317 -2.564 1.00 10.00 C +ATOM 671 CE1 PHE B 90 -1.213 3.103 -0.811 1.00 10.00 C +ATOM 672 CE2 PHE B 90 -2.908 2.635 -2.457 1.00 10.00 C +ATOM 673 CZ PHE B 90 -2.281 3.543 -1.590 1.00 10.00 C +ATOM 674 H PHE B 90 -0.305 -3.022 -2.217 1.00 10.00 H +ATOM 675 HA PHE B 90 -0.722 -1.371 0.042 1.00 10.00 H +ATOM 676 HB2 PHE B 90 0.350 -0.446 -1.888 1.00 10.00 H +ATOM 677 HB3 PHE B 90 -0.964 -0.866 -2.954 1.00 10.00 H +ATOM 678 HD1 PHE B 90 -0.006 1.451 -0.195 1.00 10.00 H +ATOM 679 HD2 PHE B 90 -2.938 0.686 -3.285 1.00 10.00 H +ATOM 680 HE1 PHE B 90 -0.717 3.796 -0.147 1.00 10.00 H +ATOM 681 HE2 PHE B 90 -3.752 2.967 -3.044 1.00 10.00 H +ATOM 682 HZ PHE B 90 -2.627 4.564 -1.524 1.00 10.00 H +ATOM 683 N ILE B 91 -3.459 -1.891 -1.837 1.00 10.00 N +ATOM 684 CA ILE B 91 -4.927 -1.832 -1.809 1.00 10.00 C +ATOM 685 C ILE B 91 -5.507 -2.711 -0.680 1.00 10.00 C +ATOM 686 O ILE B 91 -6.345 -2.258 0.101 1.00 10.00 O +ATOM 687 CB ILE B 91 -5.535 -2.138 -3.192 1.00 10.00 C +ATOM 688 CG1 ILE B 91 -5.113 -0.997 -4.132 1.00 10.00 C +ATOM 689 CG2 ILE B 91 -7.070 -2.265 -3.134 1.00 10.00 C +ATOM 690 CD1 ILE B 91 -5.580 -1.118 -5.580 1.00 10.00 C +ATOM 691 H ILE B 91 -3.001 -2.100 -2.713 1.00 10.00 H +ATOM 692 HA ILE B 91 -5.199 -0.803 -1.574 1.00 10.00 H +ATOM 693 HB ILE B 91 -5.119 -3.076 -3.560 1.00 10.00 H +ATOM 694 HG12 ILE B 91 -5.501 -0.054 -3.747 1.00 10.00 H +ATOM 695 HG13 ILE B 91 -4.026 -0.916 -4.150 1.00 10.00 H +ATOM 696 HG21 ILE B 91 -7.524 -1.361 -2.729 1.00 10.00 H +ATOM 697 HG22 ILE B 91 -7.471 -2.450 -4.131 1.00 10.00 H +ATOM 698 HG23 ILE B 91 -7.355 -3.116 -2.516 1.00 10.00 H +ATOM 699 HD11 ILE B 91 -5.293 -2.082 -6.001 1.00 10.00 H +ATOM 700 HD12 ILE B 91 -6.656 -0.953 -5.642 1.00 10.00 H +ATOM 701 HD13 ILE B 91 -5.092 -0.320 -6.139 1.00 10.00 H +ATOM 702 N LYS B 92 -5.006 -3.947 -0.551 1.00 10.00 N +ATOM 703 CA LYS B 92 -5.358 -4.879 0.517 1.00 10.00 C +ATOM 704 C LYS B 92 -5.074 -4.290 1.898 1.00 10.00 C +ATOM 705 O LYS B 92 -6.007 -4.153 2.684 1.00 10.00 O +ATOM 706 CB LYS B 92 -4.631 -6.218 0.309 1.00 10.00 C +ATOM 707 CG LYS B 92 -5.061 -7.311 1.297 1.00 10.00 C +ATOM 708 CD LYS B 92 -6.521 -7.777 1.184 1.00 10.00 C +ATOM 709 CE LYS B 92 -6.870 -8.256 -0.227 1.00 10.00 C +ATOM 710 NZ LYS B 92 -8.219 -8.846 -0.300 1.00 10.00 N +ATOM 711 H LYS B 92 -4.318 -4.254 -1.224 1.00 10.00 H +ATOM 712 HA LYS B 92 -6.433 -5.047 0.453 1.00 10.00 H +ATOM 713 HB2 LYS B 92 -4.800 -6.567 -0.710 1.00 10.00 H +ATOM 714 HB3 LYS B 92 -3.559 -6.048 0.405 1.00 10.00 H +ATOM 715 HG2 LYS B 92 -4.423 -8.178 1.129 1.00 10.00 H +ATOM 716 HG3 LYS B 92 -4.881 -6.965 2.314 1.00 10.00 H +ATOM 717 HD2 LYS B 92 -6.674 -8.593 1.890 1.00 10.00 H +ATOM 718 HD3 LYS B 92 -7.187 -6.962 1.468 1.00 10.00 H +ATOM 719 HE2 LYS B 92 -6.812 -7.414 -0.917 1.00 10.00 H +ATOM 720 HE3 LYS B 92 -6.139 -9.001 -0.542 1.00 10.00 H +ATOM 721 HZ1 LYS B 92 -8.378 -9.125 -1.258 1.00 10.00 H +ATOM 722 HZ2 LYS B 92 -8.309 -9.665 0.284 1.00 10.00 H +ATOM 723 HZ3 LYS B 92 -8.942 -8.183 -0.059 1.00 10.00 H +ATOM 724 N GLN B 93 -3.820 -3.933 2.211 1.00 10.00 N +ATOM 725 CA GLN B 93 -3.474 -3.441 3.545 1.00 10.00 C +ATOM 726 C GLN B 93 -4.062 -2.045 3.798 1.00 10.00 C +ATOM 727 O GLN B 93 -4.449 -1.775 4.922 1.00 10.00 O +ATOM 728 CB GLN B 93 -1.955 -3.481 3.808 1.00 10.00 C +ATOM 729 CG GLN B 93 -1.585 -3.857 5.263 1.00 10.00 C +ATOM 730 CD GLN B 93 -2.177 -2.991 6.380 1.00 10.00 C +ATOM 731 OE1 GLN B 93 -3.126 -3.369 7.047 1.00 10.00 O +ATOM 732 NE2 GLN B 93 -1.622 -1.829 6.659 1.00 10.00 N +ATOM 733 H GLN B 93 -3.078 -4.000 1.529 1.00 10.00 H +ATOM 734 HA GLN B 93 -3.931 -4.134 4.251 1.00 10.00 H +ATOM 735 HB2 GLN B 93 -1.503 -4.240 3.170 1.00 10.00 H +ATOM 736 HB3 GLN B 93 -1.515 -2.522 3.536 1.00 10.00 H +ATOM 737 HG2 GLN B 93 -1.904 -4.884 5.444 1.00 10.00 H +ATOM 738 HG3 GLN B 93 -0.500 -3.831 5.363 1.00 10.00 H +ATOM 739 HE21 GLN B 93 -0.797 -1.503 6.176 1.00 10.00 H +ATOM 740 HE22 GLN B 93 -2.072 -1.271 7.370 1.00 10.00 H +ATOM 741 N ARG B 94 -4.212 -1.169 2.788 1.00 10.00 N +ATOM 742 CA ARG B 94 -4.956 0.092 2.910 1.00 10.00 C +ATOM 743 C ARG B 94 -6.374 -0.211 3.402 1.00 10.00 C +ATOM 744 O ARG B 94 -6.805 0.316 4.425 1.00 10.00 O +ATOM 745 CB ARG B 94 -5.028 0.887 1.583 1.00 10.00 C +ATOM 746 CG ARG B 94 -3.761 1.569 1.031 1.00 10.00 C +ATOM 747 CD ARG B 94 -3.012 2.439 2.032 1.00 10.00 C +ATOM 748 NE ARG B 94 -3.856 3.491 2.618 1.00 10.00 N +ATOM 749 CZ ARG B 94 -3.778 4.006 3.834 1.00 10.00 C +ATOM 750 NH1 ARG B 94 -2.873 3.578 4.671 1.00 10.00 N +ATOM 751 NH2 ARG B 94 -4.599 4.940 4.218 1.00 10.00 N +ATOM 752 H ARG B 94 -3.847 -1.425 1.882 1.00 10.00 H +ATOM 753 HA ARG B 94 -4.467 0.699 3.672 1.00 10.00 H +ATOM 754 HB2 ARG B 94 -5.403 0.219 0.808 1.00 10.00 H +ATOM 755 HB3 ARG B 94 -5.770 1.673 1.719 1.00 10.00 H +ATOM 756 HG2 ARG B 94 -3.043 0.822 0.693 1.00 10.00 H +ATOM 757 HG3 ARG B 94 -4.045 2.167 0.166 1.00 10.00 H +ATOM 758 HD2 ARG B 94 -2.617 1.753 2.781 1.00 10.00 H +ATOM 759 HD3 ARG B 94 -2.163 2.917 1.545 1.00 10.00 H +ATOM 760 HE ARG B 94 -4.548 3.884 1.996 1.00 10.00 H +ATOM 761 HH11 ARG B 94 -2.225 2.875 4.346 1.00 10.00 H +ATOM 762 HH12 ARG B 94 -2.856 3.901 5.628 1.00 10.00 H +ATOM 763 HH21 ARG B 94 -5.260 5.272 3.530 1.00 10.00 H +ATOM 764 HH22 ARG B 94 -4.560 5.354 5.138 1.00 10.00 H +ATOM 765 N THR B 95 -7.087 -1.102 2.702 1.00 10.00 N +ATOM 766 CA THR B 95 -8.428 -1.538 3.109 1.00 10.00 C +ATOM 767 C THR B 95 -8.423 -2.187 4.504 1.00 10.00 C +ATOM 768 O THR B 95 -9.291 -1.886 5.321 1.00 10.00 O +ATOM 769 CB THR B 95 -9.099 -2.479 2.088 1.00 10.00 C +ATOM 770 OG1 THR B 95 -8.806 -2.190 0.741 1.00 10.00 O +ATOM 771 CG2 THR B 95 -10.614 -2.322 2.170 1.00 10.00 C +ATOM 772 H THR B 95 -6.661 -1.494 1.874 1.00 10.00 H +ATOM 773 HA THR B 95 -9.043 -0.642 3.193 1.00 10.00 H +ATOM 774 HB THR B 95 -8.821 -3.510 2.306 1.00 10.00 H +ATOM 775 HG1 THR B 95 -7.870 -2.303 0.559 1.00 10.00 H +ATOM 776 HG21 THR B 95 -10.973 -2.500 3.184 1.00 10.00 H +ATOM 777 HG22 THR B 95 -10.872 -1.306 1.872 1.00 10.00 H +ATOM 778 HG23 THR B 95 -11.093 -3.025 1.489 1.00 10.00 H +ATOM 779 N ALA B 96 -7.431 -3.044 4.802 1.00 10.00 N +ATOM 780 CA ALA B 96 -7.244 -3.662 6.120 1.00 10.00 C +ATOM 781 C ALA B 96 -7.050 -2.628 7.244 1.00 10.00 C +ATOM 782 O ALA B 96 -7.742 -2.702 8.262 1.00 10.00 O +ATOM 783 CB ALA B 96 -6.108 -4.683 6.056 1.00 10.00 C +ATOM 784 H ALA B 96 -6.779 -3.302 4.075 1.00 10.00 H +ATOM 785 HA ALA B 96 -8.138 -4.235 6.367 1.00 10.00 H +ATOM 786 HB1 ALA B 96 -6.080 -5.233 6.997 1.00 10.00 H +ATOM 787 HB2 ALA B 96 -6.263 -5.389 5.240 1.00 10.00 H +ATOM 788 HB3 ALA B 96 -5.157 -4.169 5.921 1.00 10.00 H +ATOM 789 N LYS B 97 -6.175 -1.623 7.050 1.00 10.00 N +ATOM 790 CA LYS B 97 -5.972 -0.503 7.975 1.00 10.00 C +ATOM 791 C LYS B 97 -7.290 0.227 8.234 1.00 10.00 C +ATOM 792 O LYS B 97 -7.571 0.589 9.375 1.00 10.00 O +ATOM 793 CB LYS B 97 -4.796 0.398 7.505 1.00 10.00 C +ATOM 794 CG LYS B 97 -5.163 1.797 6.994 1.00 10.00 C +ATOM 795 CD LYS B 97 -5.362 2.790 8.140 1.00 10.00 C +ATOM 796 CE LYS B 97 -6.377 3.866 7.758 1.00 10.00 C +ATOM 797 NZ LYS B 97 -6.482 4.862 8.838 1.00 10.00 N +ATOM 798 H LYS B 97 -5.628 -1.625 6.201 1.00 10.00 H +ATOM 799 HA LYS B 97 -5.673 -0.914 8.939 1.00 10.00 H +ATOM 800 HB2 LYS B 97 -4.094 0.497 8.333 1.00 10.00 H +ATOM 801 HB3 LYS B 97 -4.253 -0.100 6.701 1.00 10.00 H +ATOM 802 HG2 LYS B 97 -4.347 2.167 6.373 1.00 10.00 H +ATOM 803 HG3 LYS B 97 -6.044 1.754 6.354 1.00 10.00 H +ATOM 804 HD2 LYS B 97 -5.694 2.246 9.024 1.00 10.00 H +ATOM 805 HD3 LYS B 97 -4.405 3.245 8.397 1.00 10.00 H +ATOM 806 HE2 LYS B 97 -6.037 4.359 6.848 1.00 10.00 H +ATOM 807 HE3 LYS B 97 -7.345 3.404 7.564 1.00 10.00 H +ATOM 808 HZ1 LYS B 97 -6.714 4.410 9.711 1.00 10.00 H +ATOM 809 HZ2 LYS B 97 -5.595 5.331 8.948 1.00 10.00 H +ATOM 810 HZ3 LYS B 97 -7.168 5.568 8.610 1.00 10.00 H +ATOM 811 N TYR B 98 -8.112 0.414 7.195 1.00 10.00 N +ATOM 812 CA TYR B 98 -9.419 1.035 7.330 1.00 10.00 C +ATOM 813 C TYR B 98 -10.407 0.180 8.106 1.00 10.00 C +ATOM 814 O TYR B 98 -10.993 0.694 9.048 1.00 10.00 O +ATOM 815 CB TYR B 98 -10.023 1.364 5.975 1.00 10.00 C +ATOM 816 CG TYR B 98 -9.486 2.596 5.309 1.00 10.00 C +ATOM 817 CD1 TYR B 98 -9.586 3.835 5.961 1.00 10.00 C +ATOM 818 CD2 TYR B 98 -8.979 2.509 4.000 1.00 10.00 C +ATOM 819 CE1 TYR B 98 -9.153 4.994 5.309 1.00 10.00 C +ATOM 820 CE2 TYR B 98 -8.579 3.665 3.320 1.00 10.00 C +ATOM 821 CZ TYR B 98 -8.655 4.915 3.984 1.00 10.00 C +ATOM 822 OH TYR B 98 -8.220 6.052 3.382 1.00 10.00 O +ATOM 823 H TYR B 98 -7.789 0.128 6.282 1.00 10.00 H +ATOM 824 HA TYR B 98 -9.305 1.964 7.890 1.00 10.00 H +ATOM 825 HB2 TYR B 98 -9.894 0.519 5.299 1.00 10.00 H +ATOM 826 HB3 TYR B 98 -11.091 1.531 6.120 1.00 10.00 H +ATOM 827 HD1 TYR B 98 -9.997 3.880 6.958 1.00 10.00 H +ATOM 828 HD2 TYR B 98 -8.892 1.540 3.531 1.00 10.00 H +ATOM 829 HE1 TYR B 98 -9.211 5.949 5.809 1.00 10.00 H +ATOM 830 HE2 TYR B 98 -8.240 3.553 2.301 1.00 10.00 H +ATOM 831 HH TYR B 98 -7.432 5.860 2.868 1.00 10.00 H +ATOM 832 N VAL B 99 -10.641 -1.091 7.748 1.00 10.00 N +ATOM 833 CA VAL B 99 -11.581 -1.928 8.527 1.00 10.00 C +ATOM 834 C VAL B 99 -11.118 -2.089 9.983 1.00 10.00 C +ATOM 835 O VAL B 99 -11.941 -2.124 10.893 1.00 10.00 O +ATOM 836 CB VAL B 99 -11.885 -3.288 7.870 1.00 10.00 C +ATOM 837 CG1 VAL B 99 -12.496 -3.078 6.471 1.00 10.00 C +ATOM 838 CG2 VAL B 99 -10.649 -4.171 7.731 1.00 10.00 C +ATOM 839 H VAL B 99 -10.167 -1.477 6.943 1.00 10.00 H +ATOM 840 HA VAL B 99 -12.527 -1.388 8.570 1.00 10.00 H +ATOM 841 HB VAL B 99 -12.614 -3.809 8.490 1.00 10.00 H +ATOM 842 HG11 VAL B 99 -13.434 -2.533 6.577 1.00 10.00 H +ATOM 843 HG12 VAL B 99 -11.818 -2.520 5.824 1.00 10.00 H +ATOM 844 HG13 VAL B 99 -12.724 -4.044 6.022 1.00 10.00 H +ATOM 845 HG21 VAL B 99 -9.966 -3.690 7.031 1.00 10.00 H +ATOM 846 HG22 VAL B 99 -10.158 -4.307 8.695 1.00 10.00 H +ATOM 847 HG23 VAL B 99 -10.947 -5.153 7.363 1.00 10.00 H +ATOM 848 N ALA B 100 -9.806 -2.044 10.243 1.00 10.00 N +ATOM 849 CA ALA B 100 -9.241 -1.974 11.593 1.00 10.00 C +ATOM 850 C ALA B 100 -9.414 -0.602 12.290 1.00 10.00 C +ATOM 851 O ALA B 100 -8.898 -0.401 13.388 1.00 10.00 O +ATOM 852 CB ALA B 100 -7.758 -2.352 11.498 1.00 10.00 C +ATOM 853 H ALA B 100 -9.155 -2.058 9.471 1.00 10.00 H +ATOM 854 HA ALA B 100 -9.756 -2.709 12.212 1.00 10.00 H +ATOM 855 HB1 ALA B 100 -7.652 -3.320 11.008 1.00 10.00 H +ATOM 856 HB2 ALA B 100 -7.218 -1.597 10.927 1.00 10.00 H +ATOM 857 HB3 ALA B 100 -7.328 -2.410 12.498 1.00 10.00 H +ATOM 858 N ASN B 101 -10.094 0.371 11.675 1.00 10.00 N +ATOM 859 CA ASN B 101 -10.324 1.731 12.185 1.00 10.00 C +ATOM 860 C ASN B 101 -11.801 2.165 12.105 1.00 10.00 C +ATOM 861 O ASN B 101 -12.311 2.779 13.043 1.00 10.00 O +ATOM 862 CB ASN B 101 -9.438 2.716 11.388 1.00 10.00 C +ATOM 863 CG ASN B 101 -7.937 2.694 11.664 1.00 10.00 C +ATOM 864 OD1 ASN B 101 -7.208 3.484 11.076 1.00 10.00 O +ATOM 865 ND2 ASN B 101 -7.415 1.848 12.537 1.00 10.00 N +ATOM 866 H ASN B 101 -10.406 0.162 10.738 1.00 10.00 H +ATOM 867 HA ASN B 101 -10.052 1.785 13.239 1.00 10.00 H +ATOM 868 HB2 ASN B 101 -9.579 2.539 10.321 1.00 10.00 H +ATOM 869 HB3 ASN B 101 -9.762 3.736 11.595 1.00 10.00 H +ATOM 870 HD21 ASN B 101 -7.970 1.125 12.973 1.00 10.00 H +ATOM 871 HD22 ASN B 101 -6.409 1.883 12.612 1.00 10.00 H +ATOM 872 N GLN B 102 -12.459 1.886 10.975 1.00 10.00 N +ATOM 873 CA GLN B 102 -13.804 2.296 10.575 1.00 10.00 C +ATOM 874 C GLN B 102 -14.491 1.178 9.749 1.00 10.00 C +ATOM 875 O GLN B 102 -14.711 1.343 8.548 1.00 10.00 O +ATOM 876 CB GLN B 102 -13.716 3.601 9.752 1.00 10.00 C +ATOM 877 CG GLN B 102 -13.159 4.843 10.468 1.00 10.00 C +ATOM 878 CD GLN B 102 -14.117 5.372 11.545 1.00 10.00 C +ATOM 879 OE1 GLN B 102 -14.925 6.258 11.307 1.00 10.00 O +ATOM 880 NE2 GLN B 102 -14.069 4.866 12.768 1.00 10.00 N +ATOM 881 H GLN B 102 -11.921 1.385 10.283 1.00 10.00 H +ATOM 882 HA GLN B 102 -14.409 2.479 11.462 1.00 10.00 H +ATOM 883 HB2 GLN B 102 -13.098 3.427 8.871 1.00 10.00 H +ATOM 884 HB3 GLN B 102 -14.718 3.846 9.399 1.00 10.00 H +ATOM 885 HG2 GLN B 102 -12.181 4.629 10.899 1.00 10.00 H +ATOM 886 HG3 GLN B 102 -13.018 5.626 9.723 1.00 10.00 H +ATOM 887 HE21 GLN B 102 -13.418 4.133 13.011 1.00 10.00 H +ATOM 888 HE22 GLN B 102 -14.699 5.276 13.443 1.00 10.00 H +ATOM 889 N PRO B 103 -14.852 0.035 10.365 1.00 10.00 N +ATOM 890 CA PRO B 103 -15.392 -1.125 9.639 1.00 10.00 C +ATOM 891 C PRO B 103 -16.849 -0.937 9.183 1.00 10.00 C +ATOM 892 O PRO B 103 -17.256 -1.469 8.151 1.00 10.00 O +ATOM 893 CB PRO B 103 -15.265 -2.303 10.613 1.00 10.00 C +ATOM 894 CG PRO B 103 -15.306 -1.652 12.000 1.00 10.00 C +ATOM 895 CD PRO B 103 -14.667 -0.282 11.771 1.00 10.00 C +ATOM 896 HA PRO B 103 -14.791 -1.335 8.754 1.00 10.00 H +ATOM 897 HB2 PRO B 103 -16.070 -3.030 10.503 1.00 10.00 H +ATOM 898 HB3 PRO B 103 -14.304 -2.799 10.476 1.00 10.00 H +ATOM 899 HG2 PRO B 103 -16.347 -1.533 12.302 1.00 10.00 H +ATOM 900 HG3 PRO B 103 -14.751 -2.236 12.734 1.00 10.00 H +ATOM 901 HD2 PRO B 103 -15.136 0.461 12.415 1.00 10.00 H +ATOM 902 HD3 PRO B 103 -13.602 -0.323 12.003 1.00 10.00 H +ATOM 903 N GLY B 104 -17.654 -0.207 9.967 1.00 10.00 N +ATOM 904 CA GLY B 104 -19.099 -0.038 9.772 1.00 10.00 C +ATOM 905 C GLY B 104 -19.883 -1.337 9.964 1.00 10.00 C +ATOM 906 O GLY B 104 -20.600 -1.496 10.949 1.00 10.00 O +ATOM 907 H GLY B 104 -17.232 0.173 10.802 1.00 10.00 H +ATOM 908 HA2 GLY B 104 -19.475 0.698 10.484 1.00 10.00 H +ATOM 909 HA3 GLY B 104 -19.298 0.339 8.769 1.00 10.00 H +ATOM 910 N MET B 105 -19.721 -2.269 9.022 1.00 10.00 N +ATOM 911 CA MET B 105 -20.245 -3.638 9.057 1.00 10.00 C +ATOM 912 C MET B 105 -19.293 -4.691 8.459 1.00 10.00 C +ATOM 913 O MET B 105 -19.694 -5.850 8.335 1.00 10.00 O +ATOM 914 CB MET B 105 -21.655 -3.686 8.438 1.00 10.00 C +ATOM 915 CG MET B 105 -21.738 -3.674 6.907 1.00 10.00 C +ATOM 916 SD MET B 105 -21.178 -2.172 6.061 1.00 10.00 S +ATOM 917 CE MET B 105 -21.608 -2.635 4.362 1.00 10.00 C +ATOM 918 H MET B 105 -19.079 -2.006 8.288 1.00 10.00 H +ATOM 919 HA MET B 105 -20.355 -3.909 10.107 1.00 10.00 H +ATOM 920 HB2 MET B 105 -22.133 -4.606 8.773 1.00 10.00 H +ATOM 921 HB3 MET B 105 -22.236 -2.849 8.826 1.00 10.00 H +ATOM 922 HG2 MET B 105 -21.168 -4.517 6.516 1.00 10.00 H +ATOM 923 HG3 MET B 105 -22.782 -3.840 6.642 1.00 10.00 H +ATOM 924 HE1 MET B 105 -21.348 -1.819 3.687 1.00 10.00 H +ATOM 925 HE2 MET B 105 -21.049 -3.525 4.076 1.00 10.00 H +ATOM 926 HE3 MET B 105 -22.680 -2.822 4.296 1.00 10.00 H +ATOM 927 N GLN B 106 -18.054 -4.330 8.087 1.00 10.00 N +ATOM 928 CA GLN B 106 -17.031 -5.238 7.539 1.00 10.00 C +ATOM 929 C GLN B 106 -15.675 -4.980 8.197 1.00 10.00 C +ATOM 930 O GLN B 106 -15.192 -5.911 8.878 1.00 10.00 O +ATOM 931 CB GLN B 106 -16.929 -5.077 6.014 1.00 10.00 C +ATOM 932 CG GLN B 106 -18.157 -5.550 5.220 1.00 10.00 C +ATOM 933 CD GLN B 106 -18.360 -7.063 5.299 1.00 10.00 C +ATOM 934 OE1 GLN B 106 -17.911 -7.815 4.443 1.00 10.00 O +ATOM 935 NE2 GLN B 106 -19.038 -7.578 6.304 1.00 10.00 N +ATOM 936 OXT GLN B 106 -15.148 -3.869 7.998 1.00 10.00 O +ATOM 937 H GLN B 106 -17.745 -3.376 8.209 1.00 10.00 H +ATOM 938 HA GLN B 106 -17.286 -6.271 7.776 1.00 10.00 H +ATOM 939 HB2 GLN B 106 -16.747 -4.029 5.780 1.00 10.00 H +ATOM 940 HB3 GLN B 106 -16.060 -5.643 5.678 1.00 10.00 H +ATOM 941 HG2 GLN B 106 -19.054 -5.041 5.574 1.00 10.00 H +ATOM 942 HG3 GLN B 106 -18.005 -5.282 4.175 1.00 10.00 H +ATOM 943 HE21 GLN B 106 -19.369 -6.999 7.062 1.00 10.00 H +ATOM 944 HE22 GLN B 106 -19.113 -8.585 6.287 1.00 10.00 H +TER 945 GLN B 106 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_NCOA1_1KBHB_1KBHB/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_NCOA1_1KBHB_1KBHB/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..c7dad4a1e9e85e51b9ee316b12d30d17bd8b40a8 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_NCOA1_1KBHB_1KBHB/state_b.pdb @@ -0,0 +1,948 @@ +MODEL 1 +ATOM 1 N PRO B 48 14.238 -4.383 -12.877 1.00 10.00 N +ATOM 2 CA PRO B 48 12.841 -4.557 -12.404 1.00 10.00 C +ATOM 3 C PRO B 48 12.205 -5.626 -13.308 1.00 10.00 C +ATOM 4 O PRO B 48 11.645 -5.316 -14.353 1.00 10.00 O +ATOM 5 CB PRO B 48 12.184 -3.169 -12.479 1.00 10.00 C +ATOM 6 CG PRO B 48 12.998 -2.399 -13.529 1.00 10.00 C +ATOM 7 CD PRO B 48 14.097 -3.377 -13.942 1.00 10.00 C +ATOM 8 H PRO B 48 14.831 -4.029 -12.140 1.00 10.00 H +ATOM 9 H3 PRO B 48 14.603 -5.252 -13.240 1.00 10.00 H +ATOM 10 HA PRO B 48 12.817 -4.929 -11.380 1.00 10.00 H +ATOM 11 HB2 PRO B 48 11.134 -3.223 -12.766 1.00 10.00 H +ATOM 12 HB3 PRO B 48 12.283 -2.658 -11.522 1.00 10.00 H +ATOM 13 HG2 PRO B 48 12.378 -2.122 -14.381 1.00 10.00 H +ATOM 14 HG3 PRO B 48 13.430 -1.495 -13.098 1.00 10.00 H +ATOM 15 HD2 PRO B 48 13.780 -3.886 -14.853 1.00 10.00 H +ATOM 16 HD3 PRO B 48 15.036 -2.857 -14.132 1.00 10.00 H +ATOM 17 N ASN B 49 12.451 -6.887 -12.938 1.00 10.00 N +ATOM 18 CA ASN B 49 12.180 -8.077 -13.742 1.00 10.00 C +ATOM 19 C ASN B 49 12.108 -9.337 -12.853 1.00 10.00 C +ATOM 20 O ASN B 49 11.049 -9.943 -12.778 1.00 10.00 O +ATOM 21 CB ASN B 49 13.262 -8.176 -14.843 1.00 10.00 C +ATOM 22 CG ASN B 49 14.697 -7.936 -14.350 1.00 10.00 C +ATOM 23 OD1 ASN B 49 15.080 -6.822 -13.993 1.00 10.00 O +ATOM 24 ND2 ASN B 49 15.517 -8.969 -14.260 1.00 10.00 N +ATOM 25 H ASN B 49 12.746 -7.005 -11.980 1.00 10.00 H +ATOM 26 HA ASN B 49 11.203 -7.973 -14.214 1.00 10.00 H +ATOM 27 HB2 ASN B 49 13.169 -9.163 -15.294 1.00 10.00 H +ATOM 28 HB3 ASN B 49 13.054 -7.424 -15.605 1.00 10.00 H +ATOM 29 HD21 ASN B 49 15.286 -9.873 -14.647 1.00 10.00 H +ATOM 30 HD22 ASN B 49 16.457 -8.729 -13.980 1.00 10.00 H +ATOM 31 N ARG B 50 13.202 -9.716 -12.161 1.00 10.00 N +ATOM 32 CA ARG B 50 13.256 -10.734 -11.092 1.00 10.00 C +ATOM 33 C ARG B 50 12.350 -10.199 -9.989 1.00 10.00 C +ATOM 34 O ARG B 50 11.234 -10.673 -9.823 1.00 10.00 O +ATOM 35 CB ARG B 50 14.741 -11.011 -10.714 1.00 10.00 C +ATOM 36 CG ARG B 50 15.129 -11.265 -9.241 1.00 10.00 C +ATOM 37 CD ARG B 50 14.428 -12.439 -8.543 1.00 10.00 C +ATOM 38 NE ARG B 50 15.016 -12.661 -7.205 1.00 10.00 N +ATOM 39 CZ ARG B 50 15.021 -13.775 -6.486 1.00 10.00 C +ATOM 40 NH1 ARG B 50 14.184 -14.752 -6.691 1.00 10.00 N +ATOM 41 NH2 ARG B 50 15.864 -13.862 -5.499 1.00 10.00 N +ATOM 42 H ARG B 50 14.051 -9.195 -12.332 1.00 10.00 H +ATOM 43 HA ARG B 50 12.764 -11.647 -11.431 1.00 10.00 H +ATOM 44 HB2 ARG B 50 15.061 -11.869 -11.306 1.00 10.00 H +ATOM 45 HB3 ARG B 50 15.347 -10.164 -11.035 1.00 10.00 H +ATOM 46 HG2 ARG B 50 16.196 -11.485 -9.226 1.00 10.00 H +ATOM 47 HG3 ARG B 50 14.980 -10.359 -8.653 1.00 10.00 H +ATOM 48 HD2 ARG B 50 13.361 -12.225 -8.472 1.00 10.00 H +ATOM 49 HD3 ARG B 50 14.545 -13.333 -9.155 1.00 10.00 H +ATOM 50 HE ARG B 50 15.483 -11.895 -6.740 1.00 10.00 H +ATOM 51 HH11 ARG B 50 13.302 -14.334 -6.951 1.00 10.00 H +ATOM 52 HH12 ARG B 50 14.179 -15.550 -6.073 1.00 10.00 H +ATOM 53 HH21 ARG B 50 16.251 -12.965 -5.243 1.00 10.00 H +ATOM 54 HH22 ARG B 50 15.909 -14.656 -4.877 1.00 10.00 H +ATOM 55 N SER B 51 12.805 -9.163 -9.298 1.00 10.00 N +ATOM 56 CA SER B 51 11.992 -8.355 -8.410 1.00 10.00 C +ATOM 57 C SER B 51 11.455 -7.247 -9.323 1.00 10.00 C +ATOM 58 O SER B 51 12.188 -6.719 -10.169 1.00 10.00 O +ATOM 59 CB SER B 51 12.777 -7.805 -7.199 1.00 10.00 C +ATOM 60 OG SER B 51 14.173 -7.990 -7.303 1.00 10.00 O +ATOM 61 H SER B 51 13.746 -8.835 -9.465 1.00 10.00 H +ATOM 62 HA SER B 51 11.154 -8.940 -8.031 1.00 10.00 H +ATOM 63 HB2 SER B 51 12.561 -6.745 -7.068 1.00 10.00 H +ATOM 64 HB3 SER B 51 12.433 -8.309 -6.295 1.00 10.00 H +ATOM 65 HG SER B 51 14.462 -8.565 -6.590 1.00 10.00 H +ATOM 66 N ILE B 52 10.179 -6.903 -9.169 1.00 10.00 N +ATOM 67 CA ILE B 52 9.464 -5.992 -10.076 1.00 10.00 C +ATOM 68 C ILE B 52 9.590 -4.531 -9.591 1.00 10.00 C +ATOM 69 O ILE B 52 9.612 -3.598 -10.388 1.00 10.00 O +ATOM 70 CB ILE B 52 7.974 -6.419 -10.228 1.00 10.00 C +ATOM 71 CG1 ILE B 52 7.770 -7.950 -10.391 1.00 10.00 C +ATOM 72 CG2 ILE B 52 7.394 -5.716 -11.468 1.00 10.00 C +ATOM 73 CD1 ILE B 52 7.701 -8.751 -9.076 1.00 10.00 C +ATOM 74 H ILE B 52 9.639 -7.407 -8.479 1.00 10.00 H +ATOM 75 HA ILE B 52 9.931 -6.050 -11.060 1.00 10.00 H +ATOM 76 HB ILE B 52 7.411 -6.088 -9.355 1.00 10.00 H +ATOM 77 HG12 ILE B 52 6.832 -8.126 -10.919 1.00 10.00 H +ATOM 78 HG13 ILE B 52 8.574 -8.363 -11.002 1.00 10.00 H +ATOM 79 HG21 ILE B 52 7.427 -4.634 -11.344 1.00 10.00 H +ATOM 80 HG22 ILE B 52 7.960 -5.986 -12.359 1.00 10.00 H +ATOM 81 HG23 ILE B 52 6.349 -6.000 -11.590 1.00 10.00 H +ATOM 82 HD11 ILE B 52 7.414 -9.777 -9.307 1.00 10.00 H +ATOM 83 HD12 ILE B 52 8.683 -8.812 -8.607 1.00 10.00 H +ATOM 84 HD13 ILE B 52 6.985 -8.301 -8.388 1.00 10.00 H +ATOM 85 N SER B 53 9.771 -4.339 -8.283 1.00 10.00 N +ATOM 86 CA SER B 53 9.909 -3.054 -7.574 1.00 10.00 C +ATOM 87 C SER B 53 11.346 -2.620 -7.174 1.00 10.00 C +ATOM 88 O SER B 53 11.426 -1.669 -6.411 1.00 10.00 O +ATOM 89 CB SER B 53 8.982 -3.104 -6.346 1.00 10.00 C +ATOM 90 OG SER B 53 8.936 -4.396 -5.744 1.00 10.00 O +ATOM 91 H SER B 53 9.738 -5.151 -7.684 1.00 10.00 H +ATOM 92 HA SER B 53 9.544 -2.252 -8.215 1.00 10.00 H +ATOM 93 HB2 SER B 53 9.280 -2.378 -5.589 1.00 10.00 H +ATOM 94 HB3 SER B 53 7.970 -2.842 -6.653 1.00 10.00 H +ATOM 95 HG SER B 53 9.439 -4.377 -4.927 1.00 10.00 H +ATOM 96 N PRO B 54 12.488 -3.192 -7.623 1.00 10.00 N +ATOM 97 CA PRO B 54 13.830 -2.875 -7.102 1.00 10.00 C +ATOM 98 C PRO B 54 14.296 -1.459 -7.459 1.00 10.00 C +ATOM 99 O PRO B 54 15.291 -0.996 -6.909 1.00 10.00 O +ATOM 100 CB PRO B 54 14.760 -3.942 -7.662 1.00 10.00 C +ATOM 101 CG PRO B 54 14.124 -4.249 -9.012 1.00 10.00 C +ATOM 102 CD PRO B 54 12.639 -4.155 -8.683 1.00 10.00 C +ATOM 103 HA PRO B 54 13.839 -2.950 -6.015 1.00 10.00 H +ATOM 104 HB2 PRO B 54 15.785 -3.589 -7.771 1.00 10.00 H +ATOM 105 HB3 PRO B 54 14.728 -4.826 -7.024 1.00 10.00 H +ATOM 106 HG2 PRO B 54 14.383 -3.476 -9.736 1.00 10.00 H +ATOM 107 HG3 PRO B 54 14.395 -5.244 -9.365 1.00 10.00 H +ATOM 108 HD2 PRO B 54 12.079 -3.869 -9.573 1.00 10.00 H +ATOM 109 HD3 PRO B 54 12.293 -5.106 -8.277 1.00 10.00 H +ATOM 110 N SER B 55 13.622 -0.775 -8.386 1.00 10.00 N +ATOM 111 CA SER B 55 13.780 0.649 -8.689 1.00 10.00 C +ATOM 112 C SER B 55 12.896 1.507 -7.773 1.00 10.00 C +ATOM 113 O SER B 55 13.385 2.435 -7.132 1.00 10.00 O +ATOM 114 CB SER B 55 13.392 0.871 -10.152 1.00 10.00 C +ATOM 115 OG SER B 55 12.153 0.238 -10.461 1.00 10.00 O +ATOM 116 H SER B 55 12.863 -1.236 -8.866 1.00 10.00 H +ATOM 117 HA SER B 55 14.814 0.949 -8.516 1.00 10.00 H +ATOM 118 HB2 SER B 55 13.300 1.942 -10.332 1.00 10.00 H +ATOM 119 HB3 SER B 55 14.180 0.472 -10.791 1.00 10.00 H +ATOM 120 HG SER B 55 11.862 0.557 -11.318 1.00 10.00 H +ATOM 121 N ALA B 56 11.608 1.152 -7.661 1.00 10.00 N +ATOM 122 CA ALA B 56 10.645 1.704 -6.707 1.00 10.00 C +ATOM 123 C ALA B 56 11.115 1.539 -5.249 1.00 10.00 C +ATOM 124 O ALA B 56 10.752 2.319 -4.368 1.00 10.00 O +ATOM 125 CB ALA B 56 9.298 1.014 -6.939 1.00 10.00 C +ATOM 126 H ALA B 56 11.285 0.417 -8.273 1.00 10.00 H +ATOM 127 HA ALA B 56 10.541 2.770 -6.910 1.00 10.00 H +ATOM 128 HB1 ALA B 56 8.992 1.149 -7.977 1.00 10.00 H +ATOM 129 HB2 ALA B 56 9.385 -0.051 -6.726 1.00 10.00 H +ATOM 130 HB3 ALA B 56 8.539 1.439 -6.282 1.00 10.00 H +ATOM 131 N LEU B 57 11.970 0.557 -4.966 1.00 10.00 N +ATOM 132 CA LEU B 57 12.683 0.386 -3.701 1.00 10.00 C +ATOM 133 C LEU B 57 13.471 1.648 -3.337 1.00 10.00 C +ATOM 134 O LEU B 57 13.640 1.916 -2.158 1.00 10.00 O +ATOM 135 CB LEU B 57 13.596 -0.851 -3.832 1.00 10.00 C +ATOM 136 CG LEU B 57 14.599 -1.099 -2.692 1.00 10.00 C +ATOM 137 CD1 LEU B 57 13.912 -1.374 -1.356 1.00 10.00 C +ATOM 138 CD2 LEU B 57 15.456 -2.303 -3.084 1.00 10.00 C +ATOM 139 H LEU B 57 12.100 -0.127 -5.698 1.00 10.00 H +ATOM 140 HA LEU B 57 11.940 0.219 -2.921 1.00 10.00 H +ATOM 141 HB2 LEU B 57 12.982 -1.740 -3.970 1.00 10.00 H +ATOM 142 HB3 LEU B 57 14.195 -0.707 -4.731 1.00 10.00 H +ATOM 143 HG LEU B 57 15.251 -0.234 -2.569 1.00 10.00 H +ATOM 144 HD11 LEU B 57 13.339 -0.498 -1.053 1.00 10.00 H +ATOM 145 HD12 LEU B 57 13.236 -2.226 -1.434 1.00 10.00 H +ATOM 146 HD13 LEU B 57 14.670 -1.574 -0.599 1.00 10.00 H +ATOM 147 HD21 LEU B 57 16.197 -2.492 -2.307 1.00 10.00 H +ATOM 148 HD22 LEU B 57 14.829 -3.182 -3.230 1.00 10.00 H +ATOM 149 HD23 LEU B 57 15.999 -2.082 -4.003 1.00 10.00 H +ATOM 150 N GLN B 58 13.938 2.418 -4.328 1.00 10.00 N +ATOM 151 CA GLN B 58 14.489 3.741 -4.104 1.00 10.00 C +ATOM 152 C GLN B 58 13.356 4.767 -4.224 1.00 10.00 C +ATOM 153 O GLN B 58 13.068 5.482 -3.267 1.00 10.00 O +ATOM 154 CB GLN B 58 15.634 4.054 -5.089 1.00 10.00 C +ATOM 155 CG GLN B 58 16.905 3.226 -4.820 1.00 10.00 C +ATOM 156 CD GLN B 58 16.754 1.738 -5.144 1.00 10.00 C +ATOM 157 OE1 GLN B 58 16.940 0.873 -4.299 1.00 10.00 O +ATOM 158 NE2 GLN B 58 16.408 1.414 -6.372 1.00 10.00 N +ATOM 159 H GLN B 58 13.817 2.122 -5.286 1.00 10.00 H +ATOM 160 HA GLN B 58 14.883 3.829 -3.091 1.00 10.00 H +ATOM 161 HB2 GLN B 58 15.297 3.903 -6.115 1.00 10.00 H +ATOM 162 HB3 GLN B 58 15.891 5.107 -4.979 1.00 10.00 H +ATOM 163 HG2 GLN B 58 17.714 3.628 -5.431 1.00 10.00 H +ATOM 164 HG3 GLN B 58 17.195 3.325 -3.774 1.00 10.00 H +ATOM 165 HE21 GLN B 58 16.216 2.113 -7.075 1.00 10.00 H +ATOM 166 HE22 GLN B 58 16.195 0.437 -6.507 1.00 10.00 H +ATOM 167 N ASP B 59 12.679 4.824 -5.384 1.00 10.00 N +ATOM 168 CA ASP B 59 11.760 5.927 -5.685 1.00 10.00 C +ATOM 169 C ASP B 59 10.364 5.912 -5.043 1.00 10.00 C +ATOM 170 O ASP B 59 9.897 6.980 -4.649 1.00 10.00 O +ATOM 171 CB ASP B 59 11.670 6.185 -7.189 1.00 10.00 C +ATOM 172 CG ASP B 59 11.651 7.702 -7.423 1.00 10.00 C +ATOM 173 OD1 ASP B 59 12.630 8.369 -7.013 1.00 10.00 O +ATOM 174 OD2 ASP B 59 10.609 8.237 -7.873 1.00 10.00 O +ATOM 175 H ASP B 59 12.940 4.183 -6.120 1.00 10.00 H +ATOM 176 HA ASP B 59 12.238 6.803 -5.247 1.00 10.00 H +ATOM 177 HB2 ASP B 59 12.512 5.726 -7.706 1.00 10.00 H +ATOM 178 HB3 ASP B 59 10.767 5.723 -7.588 1.00 10.00 H +ATOM 179 N LEU B 60 9.691 4.761 -4.889 1.00 10.00 N +ATOM 180 CA LEU B 60 8.413 4.718 -4.157 1.00 10.00 C +ATOM 181 C LEU B 60 8.659 4.799 -2.641 1.00 10.00 C +ATOM 182 O LEU B 60 7.908 5.446 -1.918 1.00 10.00 O +ATOM 183 CB LEU B 60 7.642 3.465 -4.550 1.00 10.00 C +ATOM 184 CG LEU B 60 6.219 3.360 -3.962 1.00 10.00 C +ATOM 185 CD1 LEU B 60 5.369 4.640 -4.049 1.00 10.00 C +ATOM 186 CD2 LEU B 60 5.487 2.273 -4.746 1.00 10.00 C +ATOM 187 H LEU B 60 10.181 3.889 -5.034 1.00 10.00 H +ATOM 188 HA LEU B 60 7.812 5.562 -4.497 1.00 10.00 H +ATOM 189 HB2 LEU B 60 7.558 3.453 -5.636 1.00 10.00 H +ATOM 190 HB3 LEU B 60 8.196 2.578 -4.243 1.00 10.00 H +ATOM 191 HG LEU B 60 6.270 3.064 -2.915 1.00 10.00 H +ATOM 192 HD11 LEU B 60 5.781 5.409 -3.396 1.00 10.00 H +ATOM 193 HD12 LEU B 60 5.335 5.014 -5.073 1.00 10.00 H +ATOM 194 HD13 LEU B 60 4.355 4.423 -3.715 1.00 10.00 H +ATOM 195 HD21 LEU B 60 5.994 1.317 -4.618 1.00 10.00 H +ATOM 196 HD22 LEU B 60 4.461 2.183 -4.389 1.00 10.00 H +ATOM 197 HD23 LEU B 60 5.467 2.522 -5.807 1.00 10.00 H +ATOM 198 N LEU B 61 9.772 4.208 -2.192 1.00 10.00 N +ATOM 199 CA LEU B 61 10.265 4.332 -0.827 1.00 10.00 C +ATOM 200 C LEU B 61 10.523 5.807 -0.489 1.00 10.00 C +ATOM 201 O LEU B 61 9.856 6.329 0.403 1.00 10.00 O +ATOM 202 CB LEU B 61 11.488 3.419 -0.655 1.00 10.00 C +ATOM 203 CG LEU B 61 11.919 3.170 0.806 1.00 10.00 C +ATOM 204 CD1 LEU B 61 10.870 2.352 1.563 1.00 10.00 C +ATOM 205 CD2 LEU B 61 13.223 2.380 0.888 1.00 10.00 C +ATOM 206 H LEU B 61 10.300 3.657 -2.854 1.00 10.00 H +ATOM 207 HA LEU B 61 9.463 4.001 -0.167 1.00 10.00 H +ATOM 208 HB2 LEU B 61 11.276 2.457 -1.122 1.00 10.00 H +ATOM 209 HB3 LEU B 61 12.329 3.870 -1.180 1.00 10.00 H +ATOM 210 HG LEU B 61 12.058 4.129 1.306 1.00 10.00 H +ATOM 211 HD11 LEU B 61 11.261 1.976 2.508 1.00 10.00 H +ATOM 212 HD12 LEU B 61 10.008 2.983 1.780 1.00 10.00 H +ATOM 213 HD13 LEU B 61 10.553 1.496 0.966 1.00 10.00 H +ATOM 214 HD21 LEU B 61 13.092 1.401 0.426 1.00 10.00 H +ATOM 215 HD22 LEU B 61 14.019 2.907 0.362 1.00 10.00 H +ATOM 216 HD23 LEU B 61 13.518 2.229 1.926 1.00 10.00 H +ATOM 217 N ARG B 62 11.405 6.516 -1.216 1.00 10.00 N +ATOM 218 CA ARG B 62 11.626 7.950 -0.986 1.00 10.00 C +ATOM 219 C ARG B 62 10.365 8.791 -1.256 1.00 10.00 C +ATOM 220 O ARG B 62 10.201 9.805 -0.583 1.00 10.00 O +ATOM 221 CB ARG B 62 12.890 8.461 -1.717 1.00 10.00 C +ATOM 222 CG ARG B 62 12.771 8.579 -3.245 1.00 10.00 C +ATOM 223 CD ARG B 62 12.666 10.023 -3.751 1.00 10.00 C +ATOM 224 NE ARG B 62 11.899 10.073 -5.012 1.00 10.00 N +ATOM 225 CZ ARG B 62 10.674 10.547 -5.182 1.00 10.00 C +ATOM 226 NH1 ARG B 62 10.090 11.273 -4.255 1.00 10.00 N +ATOM 227 NH2 ARG B 62 9.989 10.276 -6.265 1.00 10.00 N +ATOM 228 H ARG B 62 11.928 6.035 -1.934 1.00 10.00 H +ATOM 229 HA ARG B 62 11.835 8.082 0.075 1.00 10.00 H +ATOM 230 HB2 ARG B 62 13.165 9.433 -1.308 1.00 10.00 H +ATOM 231 HB3 ARG B 62 13.712 7.783 -1.488 1.00 10.00 H +ATOM 232 HG2 ARG B 62 13.630 8.099 -3.713 1.00 10.00 H +ATOM 233 HG3 ARG B 62 11.875 8.033 -3.543 1.00 10.00 H +ATOM 234 HD2 ARG B 62 12.197 10.638 -2.983 1.00 10.00 H +ATOM 235 HD3 ARG B 62 13.670 10.416 -3.915 1.00 10.00 H +ATOM 236 HE ARG B 62 12.229 9.513 -5.785 1.00 10.00 H +ATOM 237 HH11 ARG B 62 10.601 11.563 -3.434 1.00 10.00 H +ATOM 238 HH12 ARG B 62 9.130 11.576 -4.339 1.00 10.00 H +ATOM 239 HH21 ARG B 62 10.338 9.605 -6.933 1.00 10.00 H +ATOM 240 HH22 ARG B 62 8.988 10.390 -6.193 1.00 10.00 H +ATOM 241 N THR B 63 9.450 8.357 -2.139 1.00 10.00 N +ATOM 242 CA THR B 63 8.131 8.989 -2.372 1.00 10.00 C +ATOM 243 C THR B 63 7.194 8.978 -1.168 1.00 10.00 C +ATOM 244 O THR B 63 6.308 9.834 -1.108 1.00 10.00 O +ATOM 245 CB THR B 63 7.420 8.365 -3.588 1.00 10.00 C +ATOM 246 OG1 THR B 63 8.093 8.775 -4.749 1.00 10.00 O +ATOM 247 CG2 THR B 63 5.945 8.704 -3.790 1.00 10.00 C +ATOM 248 H THR B 63 9.688 7.552 -2.701 1.00 10.00 H +ATOM 249 HA THR B 63 8.306 10.045 -2.579 1.00 10.00 H +ATOM 250 HB THR B 63 7.514 7.281 -3.524 1.00 10.00 H +ATOM 251 HG1 THR B 63 8.815 8.146 -4.816 1.00 10.00 H +ATOM 252 HG21 THR B 63 5.341 8.180 -3.049 1.00 10.00 H +ATOM 253 HG22 THR B 63 5.821 9.782 -3.691 1.00 10.00 H +ATOM 254 HG23 THR B 63 5.631 8.396 -4.788 1.00 10.00 H +ATOM 255 N LEU B 64 7.394 8.084 -0.191 1.00 10.00 N +ATOM 256 CA LEU B 64 6.635 8.143 1.063 1.00 10.00 C +ATOM 257 C LEU B 64 7.504 8.381 2.301 1.00 10.00 C +ATOM 258 O LEU B 64 6.989 8.896 3.294 1.00 10.00 O +ATOM 259 CB LEU B 64 5.718 6.917 1.197 1.00 10.00 C +ATOM 260 CG LEU B 64 4.256 7.342 1.456 1.00 10.00 C +ATOM 261 CD1 LEU B 64 3.522 7.619 0.132 1.00 10.00 C +ATOM 262 CD2 LEU B 64 3.546 6.236 2.246 1.00 10.00 C +ATOM 263 H LEU B 64 8.072 7.352 -0.351 1.00 10.00 H +ATOM 264 HA LEU B 64 6.001 9.028 1.030 1.00 10.00 H +ATOM 265 HB2 LEU B 64 5.751 6.293 0.303 1.00 10.00 H +ATOM 266 HB3 LEU B 64 6.100 6.304 2.013 1.00 10.00 H +ATOM 267 HG LEU B 64 4.229 8.250 2.059 1.00 10.00 H +ATOM 268 HD11 LEU B 64 2.517 7.977 0.356 1.00 10.00 H +ATOM 269 HD12 LEU B 64 4.045 8.383 -0.442 1.00 10.00 H +ATOM 270 HD13 LEU B 64 3.434 6.707 -0.460 1.00 10.00 H +ATOM 271 HD21 LEU B 64 3.811 5.258 1.844 1.00 10.00 H +ATOM 272 HD22 LEU B 64 3.876 6.284 3.284 1.00 10.00 H +ATOM 273 HD23 LEU B 64 2.465 6.368 2.218 1.00 10.00 H +ATOM 274 N LYS B 65 8.812 8.073 2.247 1.00 10.00 N +ATOM 275 CA LYS B 65 9.773 8.478 3.271 1.00 10.00 C +ATOM 276 C LYS B 65 9.846 10.004 3.282 1.00 10.00 C +ATOM 277 O LYS B 65 9.939 10.586 4.359 1.00 10.00 O +ATOM 278 CB LYS B 65 11.148 7.820 3.096 1.00 10.00 C +ATOM 279 CG LYS B 65 11.157 6.369 3.590 1.00 10.00 C +ATOM 280 CD LYS B 65 12.585 5.816 3.677 1.00 10.00 C +ATOM 281 CE LYS B 65 12.597 4.340 4.101 1.00 10.00 C +ATOM 282 NZ LYS B 65 12.088 4.148 5.489 1.00 10.00 N +ATOM 283 H LYS B 65 9.141 7.566 1.438 1.00 10.00 H +ATOM 284 HA LYS B 65 9.363 8.187 4.238 1.00 10.00 H +ATOM 285 HB2 LYS B 65 11.443 7.849 2.048 1.00 10.00 H +ATOM 286 HB3 LYS B 65 11.886 8.393 3.657 1.00 10.00 H +ATOM 287 HG2 LYS B 65 10.705 6.316 4.581 1.00 10.00 H +ATOM 288 HG3 LYS B 65 10.570 5.759 2.902 1.00 10.00 H +ATOM 289 HD2 LYS B 65 13.063 5.895 2.700 1.00 10.00 H +ATOM 290 HD3 LYS B 65 13.161 6.406 4.390 1.00 10.00 H +ATOM 291 HE2 LYS B 65 11.973 3.786 3.400 1.00 10.00 H +ATOM 292 HE3 LYS B 65 13.619 3.969 4.019 1.00 10.00 H +ATOM 293 HZ1 LYS B 65 12.663 4.649 6.151 1.00 10.00 H +ATOM 294 HZ2 LYS B 65 11.135 4.477 5.547 1.00 10.00 H +ATOM 295 HZ3 LYS B 65 12.094 3.167 5.729 1.00 10.00 H +ATOM 296 N SER B 66 9.848 10.659 2.105 1.00 10.00 N +ATOM 297 CA SER B 66 9.633 12.112 2.027 1.00 10.00 C +ATOM 298 C SER B 66 8.099 12.241 2.133 1.00 10.00 C +ATOM 299 O SER B 66 7.411 11.723 1.254 1.00 10.00 O +ATOM 300 CB SER B 66 10.228 12.774 0.775 1.00 10.00 C +ATOM 301 OG SER B 66 9.788 12.272 -0.459 1.00 10.00 O +ATOM 302 H SER B 66 9.776 10.136 1.244 1.00 10.00 H +ATOM 303 HA SER B 66 10.113 12.589 2.881 1.00 10.00 H +ATOM 304 HB2 SER B 66 10.000 13.840 0.799 1.00 10.00 H +ATOM 305 HB3 SER B 66 11.313 12.671 0.812 1.00 10.00 H +ATOM 306 HG SER B 66 9.920 11.321 -0.467 1.00 10.00 H +ATOM 307 N PRO B 67 7.535 12.797 3.223 1.00 10.00 N +ATOM 308 CA PRO B 67 6.102 12.719 3.489 1.00 10.00 C +ATOM 309 C PRO B 67 5.166 13.159 2.369 1.00 10.00 C +ATOM 310 O PRO B 67 5.446 14.109 1.641 1.00 10.00 O +ATOM 311 CB PRO B 67 5.866 13.543 4.763 1.00 10.00 C +ATOM 312 CG PRO B 67 7.203 13.468 5.483 1.00 10.00 C +ATOM 313 CD PRO B 67 8.206 13.450 4.338 1.00 10.00 C +ATOM 314 HA PRO B 67 5.881 11.671 3.693 1.00 10.00 H +ATOM 315 HB2 PRO B 67 5.670 14.582 4.497 1.00 10.00 H +ATOM 316 HB3 PRO B 67 5.048 13.141 5.361 1.00 10.00 H +ATOM 317 HG2 PRO B 67 7.364 14.327 6.135 1.00 10.00 H +ATOM 318 HG3 PRO B 67 7.273 12.534 6.041 1.00 10.00 H +ATOM 319 HD2 PRO B 67 8.463 14.468 4.045 1.00 10.00 H +ATOM 320 HD3 PRO B 67 9.100 12.914 4.658 1.00 10.00 H +ATOM 321 N SER B 68 3.975 12.550 2.352 1.00 10.00 N +ATOM 322 CA SER B 68 2.846 12.855 1.467 1.00 10.00 C +ATOM 323 C SER B 68 2.257 14.272 1.594 1.00 10.00 C +ATOM 324 O SER B 68 1.080 14.455 1.298 1.00 10.00 O +ATOM 325 CB SER B 68 1.744 11.796 1.618 1.00 10.00 C +ATOM 326 OG SER B 68 2.266 10.501 1.393 1.00 10.00 O +ATOM 327 H SER B 68 3.861 11.751 2.960 1.00 10.00 H +ATOM 328 HA SER B 68 3.207 12.770 0.442 1.00 10.00 H +ATOM 329 HB2 SER B 68 1.325 11.863 2.622 1.00 10.00 H +ATOM 330 HB3 SER B 68 0.956 11.990 0.891 1.00 10.00 H +ATOM 331 HG SER B 68 2.662 10.472 0.519 1.00 10.00 H +ATOM 332 N SER B 69 3.018 15.259 2.079 1.00 10.00 N +ATOM 333 CA SER B 69 2.674 16.685 2.027 1.00 10.00 C +ATOM 334 C SER B 69 3.244 17.258 0.711 1.00 10.00 C +ATOM 335 O SER B 69 2.454 17.522 -0.193 1.00 10.00 O +ATOM 336 CB SER B 69 3.068 17.412 3.320 1.00 10.00 C +ATOM 337 OG SER B 69 2.891 18.808 3.169 1.00 10.00 O +ATOM 338 H SER B 69 3.987 15.011 2.220 1.00 10.00 H +ATOM 339 HA SER B 69 1.591 16.764 1.929 1.00 10.00 H +ATOM 340 HB2 SER B 69 2.440 17.055 4.136 1.00 10.00 H +ATOM 341 HB3 SER B 69 4.108 17.204 3.571 1.00 10.00 H +ATOM 342 HG SER B 69 1.954 19.015 3.178 1.00 10.00 H +ATOM 343 N PRO B 70 4.580 17.373 0.506 1.00 10.00 N +ATOM 344 CA PRO B 70 5.125 17.685 -0.815 1.00 10.00 C +ATOM 345 C PRO B 70 4.942 16.492 -1.765 1.00 10.00 C +ATOM 346 O PRO B 70 4.902 16.666 -2.983 1.00 10.00 O +ATOM 347 CB PRO B 70 6.601 18.009 -0.585 1.00 10.00 C +ATOM 348 CG PRO B 70 6.955 17.235 0.685 1.00 10.00 C +ATOM 349 CD PRO B 70 5.661 17.328 1.492 1.00 10.00 C +ATOM 350 HA PRO B 70 4.619 18.548 -1.248 1.00 10.00 H +ATOM 351 HB2 PRO B 70 7.230 17.710 -1.424 1.00 10.00 H +ATOM 352 HB3 PRO B 70 6.710 19.076 -0.391 1.00 10.00 H +ATOM 353 HG2 PRO B 70 7.164 16.196 0.428 1.00 10.00 H +ATOM 354 HG3 PRO B 70 7.804 17.681 1.202 1.00 10.00 H +ATOM 355 HD2 PRO B 70 5.568 16.464 2.150 1.00 10.00 H +ATOM 356 HD3 PRO B 70 5.654 18.249 2.075 1.00 10.00 H +ATOM 357 N GLN B 71 4.843 15.264 -1.230 1.00 10.00 N +ATOM 358 CA GLN B 71 4.461 14.048 -1.944 1.00 10.00 C +ATOM 359 C GLN B 71 2.942 13.748 -1.941 1.00 10.00 C +ATOM 360 O GLN B 71 2.559 12.580 -2.046 1.00 10.00 O +ATOM 361 CB GLN B 71 5.349 12.888 -1.459 1.00 10.00 C +ATOM 362 CG GLN B 71 6.841 13.107 -1.745 1.00 10.00 C +ATOM 363 CD GLN B 71 7.176 13.243 -3.236 1.00 10.00 C +ATOM 364 OE1 GLN B 71 7.596 12.305 -3.902 1.00 10.00 O +ATOM 365 NE2 GLN B 71 7.034 14.416 -3.827 1.00 10.00 N +ATOM 366 H GLN B 71 4.984 15.194 -0.232 1.00 10.00 H +ATOM 367 HA GLN B 71 4.684 14.191 -3.002 1.00 10.00 H +ATOM 368 HB2 GLN B 71 5.222 12.743 -0.386 1.00 10.00 H +ATOM 369 HB3 GLN B 71 5.042 11.973 -1.966 1.00 10.00 H +ATOM 370 HG2 GLN B 71 7.194 13.990 -1.212 1.00 10.00 H +ATOM 371 HG3 GLN B 71 7.383 12.246 -1.355 1.00 10.00 H +ATOM 372 HE21 GLN B 71 6.633 15.222 -3.369 1.00 10.00 H +ATOM 373 HE22 GLN B 71 7.283 14.431 -4.806 1.00 10.00 H +ATOM 374 N GLN B 72 2.064 14.754 -1.777 1.00 10.00 N +ATOM 375 CA GLN B 72 0.599 14.528 -1.748 1.00 10.00 C +ATOM 376 C GLN B 72 -0.010 14.011 -3.060 1.00 10.00 C +ATOM 377 O GLN B 72 -1.116 13.473 -3.041 1.00 10.00 O +ATOM 378 CB GLN B 72 -0.134 15.818 -1.313 1.00 10.00 C +ATOM 379 CG GLN B 72 0.008 16.981 -2.309 1.00 10.00 C +ATOM 380 CD GLN B 72 -0.544 18.287 -1.743 1.00 10.00 C +ATOM 381 OE1 GLN B 72 -1.638 18.723 -2.059 1.00 10.00 O +ATOM 382 NE2 GLN B 72 0.199 18.936 -0.874 1.00 10.00 N +ATOM 383 H GLN B 72 2.394 15.697 -1.626 1.00 10.00 H +ATOM 384 HA GLN B 72 0.397 13.756 -1.006 1.00 10.00 H +ATOM 385 HB2 GLN B 72 -1.193 15.602 -1.174 1.00 10.00 H +ATOM 386 HB3 GLN B 72 0.253 16.138 -0.346 1.00 10.00 H +ATOM 387 HG2 GLN B 72 1.061 17.135 -2.544 1.00 10.00 H +ATOM 388 HG3 GLN B 72 -0.533 16.739 -3.224 1.00 10.00 H +ATOM 389 HE21 GLN B 72 1.095 18.554 -0.610 1.00 10.00 H +ATOM 390 HE22 GLN B 72 -0.178 19.801 -0.512 1.00 10.00 H +ATOM 391 N GLN B 73 0.682 14.192 -4.184 1.00 10.00 N +ATOM 392 CA GLN B 73 0.152 13.938 -5.525 1.00 10.00 C +ATOM 393 C GLN B 73 0.172 12.450 -5.908 1.00 10.00 C +ATOM 394 O GLN B 73 0.831 11.609 -5.300 1.00 10.00 O +ATOM 395 CB GLN B 73 0.916 14.754 -6.585 1.00 10.00 C +ATOM 396 CG GLN B 73 1.047 16.268 -6.324 1.00 10.00 C +ATOM 397 CD GLN B 73 2.108 16.715 -5.309 1.00 10.00 C +ATOM 398 OE1 GLN B 73 2.097 17.843 -4.839 1.00 10.00 O +ATOM 399 NE2 GLN B 73 3.063 15.893 -4.914 1.00 10.00 N +ATOM 400 H GLN B 73 1.603 14.600 -4.105 1.00 10.00 H +ATOM 401 HA GLN B 73 -0.894 14.246 -5.541 1.00 10.00 H +ATOM 402 HB2 GLN B 73 1.906 14.329 -6.749 1.00 10.00 H +ATOM 403 HB3 GLN B 73 0.381 14.646 -7.529 1.00 10.00 H +ATOM 404 HG2 GLN B 73 1.297 16.745 -7.272 1.00 10.00 H +ATOM 405 HG3 GLN B 73 0.082 16.657 -6.002 1.00 10.00 H +ATOM 406 HE21 GLN B 73 3.218 14.953 -5.249 1.00 10.00 H +ATOM 407 HE22 GLN B 73 3.724 16.320 -4.280 1.00 10.00 H +ATOM 408 N GLN B 74 -0.437 12.158 -7.057 1.00 10.00 N +ATOM 409 CA GLN B 74 -0.433 10.890 -7.801 1.00 10.00 C +ATOM 410 C GLN B 74 0.978 10.362 -8.158 1.00 10.00 C +ATOM 411 O GLN B 74 1.072 9.296 -8.757 1.00 10.00 O +ATOM 412 CB GLN B 74 -1.293 11.064 -9.075 1.00 10.00 C +ATOM 413 CG GLN B 74 -2.813 11.146 -8.840 1.00 10.00 C +ATOM 414 CD GLN B 74 -3.302 12.392 -8.084 1.00 10.00 C +ATOM 415 OE1 GLN B 74 -2.662 13.438 -8.083 1.00 10.00 O +ATOM 416 NE2 GLN B 74 -4.441 12.291 -7.428 1.00 10.00 N +ATOM 417 H GLN B 74 -1.006 12.890 -7.459 1.00 10.00 H +ATOM 418 HA GLN B 74 -0.900 10.120 -7.187 1.00 10.00 H +ATOM 419 HB2 GLN B 74 -0.960 11.939 -9.633 1.00 10.00 H +ATOM 420 HB3 GLN B 74 -1.125 10.204 -9.724 1.00 10.00 H +ATOM 421 HG2 GLN B 74 -3.315 11.129 -9.807 1.00 10.00 H +ATOM 422 HG3 GLN B 74 -3.124 10.253 -8.297 1.00 10.00 H +ATOM 423 HE21 GLN B 74 -4.993 11.445 -7.419 1.00 10.00 H +ATOM 424 HE22 GLN B 74 -4.739 13.074 -6.864 1.00 10.00 H +ATOM 425 N GLN B 75 2.077 11.028 -7.769 1.00 10.00 N +ATOM 426 CA GLN B 75 3.420 10.468 -7.899 1.00 10.00 C +ATOM 427 C GLN B 75 3.590 9.170 -7.100 1.00 10.00 C +ATOM 428 O GLN B 75 4.413 8.346 -7.491 1.00 10.00 O +ATOM 429 CB GLN B 75 4.524 11.510 -7.637 1.00 10.00 C +ATOM 430 CG GLN B 75 5.074 11.639 -6.204 1.00 10.00 C +ATOM 431 CD GLN B 75 4.050 12.095 -5.173 1.00 10.00 C +ATOM 432 OE1 GLN B 75 3.559 13.217 -5.215 1.00 10.00 O +ATOM 433 NE2 GLN B 75 3.737 11.257 -4.207 1.00 10.00 N +ATOM 434 H GLN B 75 1.945 11.868 -7.224 1.00 10.00 H +ATOM 435 HA GLN B 75 3.512 10.162 -8.941 1.00 10.00 H +ATOM 436 HB2 GLN B 75 5.371 11.231 -8.264 1.00 10.00 H +ATOM 437 HB3 GLN B 75 4.173 12.485 -7.974 1.00 10.00 H +ATOM 438 HG2 GLN B 75 5.510 10.689 -5.894 1.00 10.00 H +ATOM 439 HG3 GLN B 75 5.886 12.366 -6.219 1.00 10.00 H +ATOM 440 HE21 GLN B 75 4.183 10.354 -4.131 1.00 10.00 H +ATOM 441 HE22 GLN B 75 3.124 11.574 -3.469 1.00 10.00 H +ATOM 442 N VAL B 76 2.783 8.948 -6.048 1.00 10.00 N +ATOM 443 CA VAL B 76 2.738 7.639 -5.392 1.00 10.00 C +ATOM 444 C VAL B 76 2.124 6.664 -6.390 1.00 10.00 C +ATOM 445 O VAL B 76 2.721 5.643 -6.711 1.00 10.00 O +ATOM 446 CB VAL B 76 1.899 7.597 -4.089 1.00 10.00 C +ATOM 447 CG1 VAL B 76 2.310 6.395 -3.255 1.00 10.00 C +ATOM 448 CG2 VAL B 76 1.984 8.805 -3.166 1.00 10.00 C +ATOM 449 H VAL B 76 2.121 9.665 -5.785 1.00 10.00 H +ATOM 450 HA VAL B 76 3.754 7.289 -5.208 1.00 10.00 H +ATOM 451 HB VAL B 76 0.844 7.490 -4.341 1.00 10.00 H +ATOM 452 HG11 VAL B 76 1.653 6.308 -2.390 1.00 10.00 H +ATOM 453 HG12 VAL B 76 2.251 5.477 -3.840 1.00 10.00 H +ATOM 454 HG13 VAL B 76 3.333 6.541 -2.907 1.00 10.00 H +ATOM 455 HG21 VAL B 76 1.588 9.677 -3.686 1.00 10.00 H +ATOM 456 HG22 VAL B 76 1.348 8.616 -2.301 1.00 10.00 H +ATOM 457 HG23 VAL B 76 3.011 8.970 -2.839 1.00 10.00 H +ATOM 458 N LEU B 77 0.931 7.005 -6.885 1.00 10.00 N +ATOM 459 CA LEU B 77 0.085 6.174 -7.733 1.00 10.00 C +ATOM 460 C LEU B 77 0.794 5.774 -9.043 1.00 10.00 C +ATOM 461 O LEU B 77 0.669 4.642 -9.522 1.00 10.00 O +ATOM 462 CB LEU B 77 -1.257 6.900 -7.972 1.00 10.00 C +ATOM 463 CG LEU B 77 -2.459 5.997 -7.628 1.00 10.00 C +ATOM 464 CD1 LEU B 77 -3.756 6.802 -7.596 1.00 10.00 C +ATOM 465 CD2 LEU B 77 -2.602 4.840 -8.620 1.00 10.00 C +ATOM 466 H LEU B 77 0.565 7.906 -6.614 1.00 10.00 H +ATOM 467 HA LEU B 77 -0.124 5.276 -7.152 1.00 10.00 H +ATOM 468 HB2 LEU B 77 -1.329 7.791 -7.349 1.00 10.00 H +ATOM 469 HB3 LEU B 77 -1.323 7.226 -9.010 1.00 10.00 H +ATOM 470 HG LEU B 77 -2.316 5.562 -6.639 1.00 10.00 H +ATOM 471 HD11 LEU B 77 -3.964 7.248 -8.568 1.00 10.00 H +ATOM 472 HD12 LEU B 77 -4.579 6.146 -7.308 1.00 10.00 H +ATOM 473 HD13 LEU B 77 -3.691 7.589 -6.844 1.00 10.00 H +ATOM 474 HD21 LEU B 77 -3.498 4.268 -8.379 1.00 10.00 H +ATOM 475 HD22 LEU B 77 -2.675 5.235 -9.634 1.00 10.00 H +ATOM 476 HD23 LEU B 77 -1.743 4.174 -8.542 1.00 10.00 H +ATOM 477 N ASN B 78 1.608 6.688 -9.577 1.00 10.00 N +ATOM 478 CA ASN B 78 2.428 6.474 -10.761 1.00 10.00 C +ATOM 479 C ASN B 78 3.603 5.508 -10.541 1.00 10.00 C +ATOM 480 O ASN B 78 3.978 4.830 -11.499 1.00 10.00 O +ATOM 481 CB ASN B 78 2.914 7.849 -11.270 1.00 10.00 C +ATOM 482 CG ASN B 78 3.480 7.794 -12.680 1.00 10.00 C +ATOM 483 OD1 ASN B 78 2.983 7.078 -13.542 1.00 10.00 O +ATOM 484 ND2 ASN B 78 4.544 8.529 -12.948 1.00 10.00 N +ATOM 485 H ASN B 78 1.582 7.612 -9.171 1.00 10.00 H +ATOM 486 HA ASN B 78 1.788 6.015 -11.514 1.00 10.00 H +ATOM 487 HB2 ASN B 78 2.062 8.528 -11.303 1.00 10.00 H +ATOM 488 HB3 ASN B 78 3.652 8.253 -10.578 1.00 10.00 H +ATOM 489 HD21 ASN B 78 4.976 9.111 -12.244 1.00 10.00 H +ATOM 490 HD22 ASN B 78 4.893 8.486 -13.895 1.00 10.00 H +ATOM 491 N ILE B 79 4.175 5.392 -9.339 1.00 10.00 N +ATOM 492 CA ILE B 79 5.192 4.358 -9.063 1.00 10.00 C +ATOM 493 C ILE B 79 4.536 3.062 -8.538 1.00 10.00 C +ATOM 494 O ILE B 79 4.943 1.969 -8.937 1.00 10.00 O +ATOM 495 CB ILE B 79 6.334 4.866 -8.155 1.00 10.00 C +ATOM 496 CG1 ILE B 79 6.906 6.245 -8.568 1.00 10.00 C +ATOM 497 CG2 ILE B 79 7.495 3.852 -8.213 1.00 10.00 C +ATOM 498 CD1 ILE B 79 7.533 6.979 -7.380 1.00 10.00 C +ATOM 499 H ILE B 79 3.857 5.974 -8.577 1.00 10.00 H +ATOM 500 HA ILE B 79 5.672 4.087 -10.003 1.00 10.00 H +ATOM 501 HB ILE B 79 5.953 4.938 -7.136 1.00 10.00 H +ATOM 502 HG12 ILE B 79 7.667 6.118 -9.338 1.00 10.00 H +ATOM 503 HG13 ILE B 79 6.118 6.887 -8.964 1.00 10.00 H +ATOM 504 HG21 ILE B 79 7.830 3.713 -9.240 1.00 10.00 H +ATOM 505 HG22 ILE B 79 8.333 4.205 -7.611 1.00 10.00 H +ATOM 506 HG23 ILE B 79 7.158 2.891 -7.825 1.00 10.00 H +ATOM 507 HD11 ILE B 79 7.850 7.975 -7.690 1.00 10.00 H +ATOM 508 HD12 ILE B 79 6.806 7.065 -6.574 1.00 10.00 H +ATOM 509 HD13 ILE B 79 8.400 6.424 -7.021 1.00 10.00 H +ATOM 510 N LEU B 80 3.463 3.189 -7.733 1.00 10.00 N +ATOM 511 CA LEU B 80 2.600 2.133 -7.178 1.00 10.00 C +ATOM 512 C LEU B 80 2.301 1.057 -8.214 1.00 10.00 C +ATOM 513 O LEU B 80 2.476 -0.129 -7.945 1.00 10.00 O +ATOM 514 CB LEU B 80 1.273 2.769 -6.698 1.00 10.00 C +ATOM 515 CG LEU B 80 1.131 3.022 -5.186 1.00 10.00 C +ATOM 516 CD1 LEU B 80 0.021 4.007 -4.810 1.00 10.00 C +ATOM 517 CD2 LEU B 80 0.752 1.716 -4.497 1.00 10.00 C +ATOM 518 H LEU B 80 3.207 4.127 -7.459 1.00 10.00 H +ATOM 519 HA LEU B 80 3.111 1.655 -6.341 1.00 10.00 H +ATOM 520 HB2 LEU B 80 1.158 3.719 -7.221 1.00 10.00 H +ATOM 521 HB3 LEU B 80 0.435 2.158 -7.032 1.00 10.00 H +ATOM 522 HG LEU B 80 2.071 3.406 -4.791 1.00 10.00 H +ATOM 523 HD11 LEU B 80 -0.909 3.734 -5.310 1.00 10.00 H +ATOM 524 HD12 LEU B 80 -0.158 3.990 -3.735 1.00 10.00 H +ATOM 525 HD13 LEU B 80 0.301 5.024 -5.087 1.00 10.00 H +ATOM 526 HD21 LEU B 80 -0.216 1.367 -4.858 1.00 10.00 H +ATOM 527 HD22 LEU B 80 1.508 0.953 -4.682 1.00 10.00 H +ATOM 528 HD23 LEU B 80 0.666 1.904 -3.427 1.00 10.00 H +ATOM 529 N LYS B 81 1.852 1.480 -9.400 1.00 10.00 N +ATOM 530 CA LYS B 81 1.420 0.590 -10.481 1.00 10.00 C +ATOM 531 C LYS B 81 2.491 -0.386 -11.004 1.00 10.00 C +ATOM 532 O LYS B 81 2.146 -1.363 -11.660 1.00 10.00 O +ATOM 533 CB LYS B 81 0.836 1.443 -11.617 1.00 10.00 C +ATOM 534 CG LYS B 81 1.920 2.182 -12.423 1.00 10.00 C +ATOM 535 CD LYS B 81 1.303 3.197 -13.399 1.00 10.00 C +ATOM 536 CE LYS B 81 2.258 3.582 -14.537 1.00 10.00 C +ATOM 537 NZ LYS B 81 3.362 4.473 -14.103 1.00 10.00 N +ATOM 538 H LYS B 81 1.709 2.475 -9.499 1.00 10.00 H +ATOM 539 HA LYS B 81 0.611 -0.025 -10.088 1.00 10.00 H +ATOM 540 HB2 LYS B 81 0.285 0.795 -12.297 1.00 10.00 H +ATOM 541 HB3 LYS B 81 0.134 2.159 -11.190 1.00 10.00 H +ATOM 542 HG2 LYS B 81 2.608 2.692 -11.750 1.00 10.00 H +ATOM 543 HG3 LYS B 81 2.481 1.450 -13.004 1.00 10.00 H +ATOM 544 HD2 LYS B 81 0.417 2.749 -13.849 1.00 10.00 H +ATOM 545 HD3 LYS B 81 0.984 4.080 -12.845 1.00 10.00 H +ATOM 546 HE2 LYS B 81 2.669 2.673 -14.974 1.00 10.00 H +ATOM 547 HE3 LYS B 81 1.680 4.066 -15.325 1.00 10.00 H +ATOM 548 HZ1 LYS B 81 3.719 4.217 -13.193 1.00 10.00 H +ATOM 549 HZ2 LYS B 81 4.116 4.469 -14.774 1.00 10.00 H +ATOM 550 HZ3 LYS B 81 3.053 5.429 -13.995 1.00 10.00 H +ATOM 551 N SER B 82 3.780 -0.113 -10.754 1.00 10.00 N +ATOM 552 CA SER B 82 4.922 -0.834 -11.350 1.00 10.00 C +ATOM 553 C SER B 82 5.029 -2.294 -10.906 1.00 10.00 C +ATOM 554 O SER B 82 5.094 -3.183 -11.758 1.00 10.00 O +ATOM 555 CB SER B 82 6.236 -0.089 -11.047 1.00 10.00 C +ATOM 556 OG SER B 82 6.450 0.057 -9.650 1.00 10.00 O +ATOM 557 H SER B 82 3.959 0.684 -10.161 1.00 10.00 H +ATOM 558 HA SER B 82 4.784 -0.870 -12.430 1.00 10.00 H +ATOM 559 HB2 SER B 82 7.070 -0.652 -11.466 1.00 10.00 H +ATOM 560 HB3 SER B 82 6.195 0.899 -11.504 1.00 10.00 H +ATOM 561 HG SER B 82 5.903 0.779 -9.331 1.00 10.00 H +ATOM 562 N ASN B 83 5.028 -2.556 -9.592 1.00 10.00 N +ATOM 563 CA ASN B 83 4.905 -3.901 -9.045 1.00 10.00 C +ATOM 564 C ASN B 83 3.420 -4.181 -8.766 1.00 10.00 C +ATOM 565 O ASN B 83 2.865 -3.607 -7.828 1.00 10.00 O +ATOM 566 CB ASN B 83 5.818 -4.098 -7.830 1.00 10.00 C +ATOM 567 CG ASN B 83 5.715 -5.497 -7.235 1.00 10.00 C +ATOM 568 OD1 ASN B 83 4.716 -6.198 -7.345 1.00 10.00 O +ATOM 569 ND2 ASN B 83 6.765 -5.992 -6.634 1.00 10.00 N +ATOM 570 H ASN B 83 4.981 -1.757 -8.976 1.00 10.00 H +ATOM 571 HA ASN B 83 5.275 -4.601 -9.795 1.00 10.00 H +ATOM 572 HB2 ASN B 83 6.845 -3.934 -8.156 1.00 10.00 H +ATOM 573 HB3 ASN B 83 5.591 -3.362 -7.058 1.00 10.00 H +ATOM 574 HD21 ASN B 83 7.581 -5.434 -6.428 1.00 10.00 H +ATOM 575 HD22 ASN B 83 6.638 -6.955 -6.357 1.00 10.00 H +ATOM 576 N PRO B 84 2.752 -5.052 -9.546 1.00 10.00 N +ATOM 577 CA PRO B 84 1.311 -5.283 -9.422 1.00 10.00 C +ATOM 578 C PRO B 84 0.945 -5.899 -8.058 1.00 10.00 C +ATOM 579 O PRO B 84 -0.110 -5.604 -7.505 1.00 10.00 O +ATOM 580 CB PRO B 84 0.948 -6.229 -10.582 1.00 10.00 C +ATOM 581 CG PRO B 84 2.126 -6.112 -11.543 1.00 10.00 C +ATOM 582 CD PRO B 84 3.303 -5.886 -10.602 1.00 10.00 C +ATOM 583 HA PRO B 84 0.784 -4.338 -9.550 1.00 10.00 H +ATOM 584 HB2 PRO B 84 0.863 -7.254 -10.221 1.00 10.00 H +ATOM 585 HB3 PRO B 84 0.020 -5.918 -11.061 1.00 10.00 H +ATOM 586 HG2 PRO B 84 2.262 -7.013 -12.141 1.00 10.00 H +ATOM 587 HG3 PRO B 84 2.010 -5.243 -12.191 1.00 10.00 H +ATOM 588 HD2 PRO B 84 3.656 -6.816 -10.156 1.00 10.00 H +ATOM 589 HD3 PRO B 84 4.122 -5.418 -11.148 1.00 10.00 H +ATOM 590 N GLN B 85 1.838 -6.720 -7.498 1.00 10.00 N +ATOM 591 CA GLN B 85 1.674 -7.312 -6.163 1.00 10.00 C +ATOM 592 C GLN B 85 1.823 -6.259 -5.073 1.00 10.00 C +ATOM 593 O GLN B 85 1.056 -6.283 -4.119 1.00 10.00 O +ATOM 594 CB GLN B 85 2.679 -8.450 -5.921 1.00 10.00 C +ATOM 595 CG GLN B 85 2.404 -9.630 -6.844 1.00 10.00 C +ATOM 596 CD GLN B 85 3.524 -10.651 -6.761 1.00 10.00 C +ATOM 597 OE1 GLN B 85 3.413 -11.681 -6.108 1.00 10.00 O +ATOM 598 NE2 GLN B 85 4.612 -10.384 -7.449 1.00 10.00 N +ATOM 599 H GLN B 85 2.738 -6.813 -7.946 1.00 10.00 H +ATOM 600 HA GLN B 85 0.660 -7.705 -6.089 1.00 10.00 H +ATOM 601 HB2 GLN B 85 3.697 -8.092 -6.076 1.00 10.00 H +ATOM 602 HB3 GLN B 85 2.579 -8.807 -4.896 1.00 10.00 H +ATOM 603 HG2 GLN B 85 1.456 -10.080 -6.550 1.00 10.00 H +ATOM 604 HG3 GLN B 85 2.312 -9.298 -7.878 1.00 10.00 H +ATOM 605 HE21 GLN B 85 4.691 -9.528 -7.980 1.00 10.00 H +ATOM 606 HE22 GLN B 85 5.352 -11.070 -7.480 1.00 10.00 H +ATOM 607 N LEU B 86 2.763 -5.311 -5.212 1.00 10.00 N +ATOM 608 CA LEU B 86 2.847 -4.141 -4.330 1.00 10.00 C +ATOM 609 C LEU B 86 1.559 -3.332 -4.428 1.00 10.00 C +ATOM 610 O LEU B 86 0.995 -2.985 -3.396 1.00 10.00 O +ATOM 611 CB LEU B 86 4.101 -3.301 -4.629 1.00 10.00 C +ATOM 612 CG LEU B 86 4.360 -2.054 -3.746 1.00 10.00 C +ATOM 613 CD1 LEU B 86 3.575 -0.827 -4.218 1.00 10.00 C +ATOM 614 CD2 LEU B 86 4.104 -2.239 -2.242 1.00 10.00 C +ATOM 615 H LEU B 86 3.361 -5.394 -6.021 1.00 10.00 H +ATOM 616 HA LEU B 86 2.930 -4.494 -3.302 1.00 10.00 H +ATOM 617 HB2 LEU B 86 4.978 -3.944 -4.544 1.00 10.00 H +ATOM 618 HB3 LEU B 86 4.029 -2.963 -5.663 1.00 10.00 H +ATOM 619 HG LEU B 86 5.416 -1.816 -3.872 1.00 10.00 H +ATOM 620 HD11 LEU B 86 3.967 0.053 -3.709 1.00 10.00 H +ATOM 621 HD12 LEU B 86 3.690 -0.689 -5.293 1.00 10.00 H +ATOM 622 HD13 LEU B 86 2.521 -0.924 -3.960 1.00 10.00 H +ATOM 623 HD21 LEU B 86 4.385 -1.327 -1.715 1.00 10.00 H +ATOM 624 HD22 LEU B 86 3.048 -2.407 -2.032 1.00 10.00 H +ATOM 625 HD23 LEU B 86 4.694 -3.069 -1.855 1.00 10.00 H +ATOM 626 N MET B 87 1.054 -3.071 -5.633 1.00 10.00 N +ATOM 627 CA MET B 87 -0.213 -2.354 -5.826 1.00 10.00 C +ATOM 628 C MET B 87 -1.378 -3.063 -5.137 1.00 10.00 C +ATOM 629 O MET B 87 -2.115 -2.455 -4.360 1.00 10.00 O +ATOM 630 CB MET B 87 -0.476 -2.140 -7.318 1.00 10.00 C +ATOM 631 CG MET B 87 -0.828 -0.688 -7.575 1.00 10.00 C +ATOM 632 SD MET B 87 -2.380 -0.156 -6.830 1.00 10.00 S +ATOM 633 CE MET B 87 -2.257 1.590 -7.244 1.00 10.00 C +ATOM 634 H MET B 87 1.604 -3.325 -6.442 1.00 10.00 H +ATOM 635 HA MET B 87 -0.112 -1.388 -5.331 1.00 10.00 H +ATOM 636 HB2 MET B 87 0.416 -2.379 -7.896 1.00 10.00 H +ATOM 637 HB3 MET B 87 -1.285 -2.784 -7.664 1.00 10.00 H +ATOM 638 HG2 MET B 87 -0.021 -0.066 -7.188 1.00 10.00 H +ATOM 639 HG3 MET B 87 -0.898 -0.515 -8.649 1.00 10.00 H +ATOM 640 HE1 MET B 87 -1.601 1.726 -8.104 1.00 10.00 H +ATOM 641 HE2 MET B 87 -3.249 1.965 -7.496 1.00 10.00 H +ATOM 642 HE3 MET B 87 -1.878 2.131 -6.377 1.00 10.00 H +ATOM 643 N ALA B 88 -1.541 -4.371 -5.366 1.00 10.00 N +ATOM 644 CA ALA B 88 -2.560 -5.149 -4.675 1.00 10.00 C +ATOM 645 C ALA B 88 -2.333 -5.219 -3.162 1.00 10.00 C +ATOM 646 O ALA B 88 -3.294 -5.083 -2.415 1.00 10.00 O +ATOM 647 CB ALA B 88 -2.634 -6.549 -5.292 1.00 10.00 C +ATOM 648 H ALA B 88 -0.943 -4.838 -6.034 1.00 10.00 H +ATOM 649 HA ALA B 88 -3.516 -4.646 -4.820 1.00 10.00 H +ATOM 650 HB1 ALA B 88 -1.687 -7.070 -5.149 1.00 10.00 H +ATOM 651 HB2 ALA B 88 -3.435 -7.131 -4.836 1.00 10.00 H +ATOM 652 HB3 ALA B 88 -2.827 -6.449 -6.360 1.00 10.00 H +ATOM 653 N ALA B 89 -1.092 -5.405 -2.688 1.00 10.00 N +ATOM 654 CA ALA B 89 -0.740 -5.394 -1.265 1.00 10.00 C +ATOM 655 C ALA B 89 -1.029 -4.038 -0.611 1.00 10.00 C +ATOM 656 O ALA B 89 -1.537 -4.001 0.508 1.00 10.00 O +ATOM 657 CB ALA B 89 0.725 -5.801 -1.078 1.00 10.00 C +ATOM 658 H ALA B 89 -0.347 -5.564 -3.351 1.00 10.00 H +ATOM 659 HA ALA B 89 -1.370 -6.122 -0.754 1.00 10.00 H +ATOM 660 HB1 ALA B 89 0.896 -6.811 -1.450 1.00 10.00 H +ATOM 661 HB2 ALA B 89 1.383 -5.109 -1.605 1.00 10.00 H +ATOM 662 HB3 ALA B 89 0.958 -5.767 -0.014 1.00 10.00 H +ATOM 663 N PHE B 90 -0.765 -2.928 -1.323 1.00 10.00 N +ATOM 664 CA PHE B 90 -1.186 -1.592 -0.920 1.00 10.00 C +ATOM 665 C PHE B 90 -2.699 -1.608 -0.775 1.00 10.00 C +ATOM 666 O PHE B 90 -3.183 -1.453 0.332 1.00 10.00 O +ATOM 667 CB PHE B 90 -0.735 -0.529 -1.943 1.00 10.00 C +ATOM 668 CG PHE B 90 -1.358 0.856 -1.778 1.00 10.00 C +ATOM 669 CD1 PHE B 90 -0.794 1.764 -0.863 1.00 10.00 C +ATOM 670 CD2 PHE B 90 -2.439 1.317 -2.564 1.00 10.00 C +ATOM 671 CE1 PHE B 90 -1.213 3.103 -0.811 1.00 10.00 C +ATOM 672 CE2 PHE B 90 -2.908 2.635 -2.457 1.00 10.00 C +ATOM 673 CZ PHE B 90 -2.281 3.543 -1.590 1.00 10.00 C +ATOM 674 H PHE B 90 -0.305 -3.022 -2.217 1.00 10.00 H +ATOM 675 HA PHE B 90 -0.722 -1.371 0.042 1.00 10.00 H +ATOM 676 HB2 PHE B 90 0.350 -0.446 -1.888 1.00 10.00 H +ATOM 677 HB3 PHE B 90 -0.964 -0.866 -2.954 1.00 10.00 H +ATOM 678 HD1 PHE B 90 -0.006 1.451 -0.195 1.00 10.00 H +ATOM 679 HD2 PHE B 90 -2.938 0.686 -3.285 1.00 10.00 H +ATOM 680 HE1 PHE B 90 -0.717 3.796 -0.147 1.00 10.00 H +ATOM 681 HE2 PHE B 90 -3.752 2.967 -3.044 1.00 10.00 H +ATOM 682 HZ PHE B 90 -2.627 4.564 -1.524 1.00 10.00 H +ATOM 683 N ILE B 91 -3.459 -1.891 -1.837 1.00 10.00 N +ATOM 684 CA ILE B 91 -4.927 -1.832 -1.809 1.00 10.00 C +ATOM 685 C ILE B 91 -5.507 -2.711 -0.680 1.00 10.00 C +ATOM 686 O ILE B 91 -6.345 -2.258 0.101 1.00 10.00 O +ATOM 687 CB ILE B 91 -5.535 -2.138 -3.192 1.00 10.00 C +ATOM 688 CG1 ILE B 91 -5.113 -0.997 -4.132 1.00 10.00 C +ATOM 689 CG2 ILE B 91 -7.070 -2.265 -3.134 1.00 10.00 C +ATOM 690 CD1 ILE B 91 -5.580 -1.118 -5.580 1.00 10.00 C +ATOM 691 H ILE B 91 -3.001 -2.100 -2.713 1.00 10.00 H +ATOM 692 HA ILE B 91 -5.199 -0.803 -1.574 1.00 10.00 H +ATOM 693 HB ILE B 91 -5.119 -3.076 -3.560 1.00 10.00 H +ATOM 694 HG12 ILE B 91 -5.501 -0.054 -3.747 1.00 10.00 H +ATOM 695 HG13 ILE B 91 -4.026 -0.916 -4.150 1.00 10.00 H +ATOM 696 HG21 ILE B 91 -7.524 -1.361 -2.729 1.00 10.00 H +ATOM 697 HG22 ILE B 91 -7.471 -2.450 -4.131 1.00 10.00 H +ATOM 698 HG23 ILE B 91 -7.355 -3.116 -2.516 1.00 10.00 H +ATOM 699 HD11 ILE B 91 -5.293 -2.082 -6.001 1.00 10.00 H +ATOM 700 HD12 ILE B 91 -6.656 -0.953 -5.642 1.00 10.00 H +ATOM 701 HD13 ILE B 91 -5.092 -0.320 -6.139 1.00 10.00 H +ATOM 702 N LYS B 92 -5.006 -3.947 -0.551 1.00 10.00 N +ATOM 703 CA LYS B 92 -5.358 -4.879 0.517 1.00 10.00 C +ATOM 704 C LYS B 92 -5.074 -4.290 1.898 1.00 10.00 C +ATOM 705 O LYS B 92 -6.007 -4.153 2.684 1.00 10.00 O +ATOM 706 CB LYS B 92 -4.631 -6.218 0.309 1.00 10.00 C +ATOM 707 CG LYS B 92 -5.061 -7.311 1.297 1.00 10.00 C +ATOM 708 CD LYS B 92 -6.521 -7.777 1.184 1.00 10.00 C +ATOM 709 CE LYS B 92 -6.870 -8.256 -0.227 1.00 10.00 C +ATOM 710 NZ LYS B 92 -8.219 -8.846 -0.300 1.00 10.00 N +ATOM 711 H LYS B 92 -4.318 -4.254 -1.224 1.00 10.00 H +ATOM 712 HA LYS B 92 -6.433 -5.047 0.453 1.00 10.00 H +ATOM 713 HB2 LYS B 92 -4.800 -6.567 -0.710 1.00 10.00 H +ATOM 714 HB3 LYS B 92 -3.559 -6.048 0.405 1.00 10.00 H +ATOM 715 HG2 LYS B 92 -4.423 -8.178 1.129 1.00 10.00 H +ATOM 716 HG3 LYS B 92 -4.881 -6.965 2.314 1.00 10.00 H +ATOM 717 HD2 LYS B 92 -6.674 -8.593 1.890 1.00 10.00 H +ATOM 718 HD3 LYS B 92 -7.187 -6.962 1.468 1.00 10.00 H +ATOM 719 HE2 LYS B 92 -6.812 -7.414 -0.917 1.00 10.00 H +ATOM 720 HE3 LYS B 92 -6.139 -9.001 -0.542 1.00 10.00 H +ATOM 721 HZ1 LYS B 92 -8.378 -9.125 -1.258 1.00 10.00 H +ATOM 722 HZ2 LYS B 92 -8.309 -9.665 0.284 1.00 10.00 H +ATOM 723 HZ3 LYS B 92 -8.942 -8.183 -0.059 1.00 10.00 H +ATOM 724 N GLN B 93 -3.820 -3.933 2.211 1.00 10.00 N +ATOM 725 CA GLN B 93 -3.474 -3.441 3.545 1.00 10.00 C +ATOM 726 C GLN B 93 -4.062 -2.045 3.798 1.00 10.00 C +ATOM 727 O GLN B 93 -4.449 -1.775 4.922 1.00 10.00 O +ATOM 728 CB GLN B 93 -1.955 -3.481 3.808 1.00 10.00 C +ATOM 729 CG GLN B 93 -1.585 -3.857 5.263 1.00 10.00 C +ATOM 730 CD GLN B 93 -2.177 -2.991 6.380 1.00 10.00 C +ATOM 731 OE1 GLN B 93 -3.126 -3.369 7.047 1.00 10.00 O +ATOM 732 NE2 GLN B 93 -1.622 -1.829 6.659 1.00 10.00 N +ATOM 733 H GLN B 93 -3.078 -4.000 1.529 1.00 10.00 H +ATOM 734 HA GLN B 93 -3.931 -4.134 4.251 1.00 10.00 H +ATOM 735 HB2 GLN B 93 -1.503 -4.240 3.170 1.00 10.00 H +ATOM 736 HB3 GLN B 93 -1.515 -2.522 3.536 1.00 10.00 H +ATOM 737 HG2 GLN B 93 -1.904 -4.884 5.444 1.00 10.00 H +ATOM 738 HG3 GLN B 93 -0.500 -3.831 5.363 1.00 10.00 H +ATOM 739 HE21 GLN B 93 -0.797 -1.503 6.176 1.00 10.00 H +ATOM 740 HE22 GLN B 93 -2.072 -1.271 7.370 1.00 10.00 H +ATOM 741 N ARG B 94 -4.212 -1.169 2.788 1.00 10.00 N +ATOM 742 CA ARG B 94 -4.956 0.092 2.910 1.00 10.00 C +ATOM 743 C ARG B 94 -6.374 -0.211 3.402 1.00 10.00 C +ATOM 744 O ARG B 94 -6.805 0.316 4.425 1.00 10.00 O +ATOM 745 CB ARG B 94 -5.028 0.887 1.583 1.00 10.00 C +ATOM 746 CG ARG B 94 -3.761 1.569 1.031 1.00 10.00 C +ATOM 747 CD ARG B 94 -3.012 2.439 2.032 1.00 10.00 C +ATOM 748 NE ARG B 94 -3.856 3.491 2.618 1.00 10.00 N +ATOM 749 CZ ARG B 94 -3.778 4.006 3.834 1.00 10.00 C +ATOM 750 NH1 ARG B 94 -2.873 3.578 4.671 1.00 10.00 N +ATOM 751 NH2 ARG B 94 -4.599 4.940 4.218 1.00 10.00 N +ATOM 752 H ARG B 94 -3.847 -1.425 1.882 1.00 10.00 H +ATOM 753 HA ARG B 94 -4.467 0.699 3.672 1.00 10.00 H +ATOM 754 HB2 ARG B 94 -5.403 0.219 0.808 1.00 10.00 H +ATOM 755 HB3 ARG B 94 -5.770 1.673 1.719 1.00 10.00 H +ATOM 756 HG2 ARG B 94 -3.043 0.822 0.693 1.00 10.00 H +ATOM 757 HG3 ARG B 94 -4.045 2.167 0.166 1.00 10.00 H +ATOM 758 HD2 ARG B 94 -2.617 1.753 2.781 1.00 10.00 H +ATOM 759 HD3 ARG B 94 -2.163 2.917 1.545 1.00 10.00 H +ATOM 760 HE ARG B 94 -4.548 3.884 1.996 1.00 10.00 H +ATOM 761 HH11 ARG B 94 -2.225 2.875 4.346 1.00 10.00 H +ATOM 762 HH12 ARG B 94 -2.856 3.901 5.628 1.00 10.00 H +ATOM 763 HH21 ARG B 94 -5.260 5.272 3.530 1.00 10.00 H +ATOM 764 HH22 ARG B 94 -4.560 5.354 5.138 1.00 10.00 H +ATOM 765 N THR B 95 -7.087 -1.102 2.702 1.00 10.00 N +ATOM 766 CA THR B 95 -8.428 -1.538 3.109 1.00 10.00 C +ATOM 767 C THR B 95 -8.423 -2.187 4.504 1.00 10.00 C +ATOM 768 O THR B 95 -9.291 -1.886 5.321 1.00 10.00 O +ATOM 769 CB THR B 95 -9.099 -2.479 2.088 1.00 10.00 C +ATOM 770 OG1 THR B 95 -8.806 -2.190 0.741 1.00 10.00 O +ATOM 771 CG2 THR B 95 -10.614 -2.322 2.170 1.00 10.00 C +ATOM 772 H THR B 95 -6.661 -1.494 1.874 1.00 10.00 H +ATOM 773 HA THR B 95 -9.043 -0.642 3.193 1.00 10.00 H +ATOM 774 HB THR B 95 -8.821 -3.510 2.306 1.00 10.00 H +ATOM 775 HG1 THR B 95 -7.870 -2.303 0.559 1.00 10.00 H +ATOM 776 HG21 THR B 95 -10.973 -2.500 3.184 1.00 10.00 H +ATOM 777 HG22 THR B 95 -10.872 -1.306 1.872 1.00 10.00 H +ATOM 778 HG23 THR B 95 -11.093 -3.025 1.489 1.00 10.00 H +ATOM 779 N ALA B 96 -7.431 -3.044 4.802 1.00 10.00 N +ATOM 780 CA ALA B 96 -7.244 -3.662 6.120 1.00 10.00 C +ATOM 781 C ALA B 96 -7.050 -2.628 7.244 1.00 10.00 C +ATOM 782 O ALA B 96 -7.742 -2.702 8.262 1.00 10.00 O +ATOM 783 CB ALA B 96 -6.108 -4.683 6.056 1.00 10.00 C +ATOM 784 H ALA B 96 -6.779 -3.302 4.075 1.00 10.00 H +ATOM 785 HA ALA B 96 -8.138 -4.235 6.367 1.00 10.00 H +ATOM 786 HB1 ALA B 96 -6.080 -5.233 6.997 1.00 10.00 H +ATOM 787 HB2 ALA B 96 -6.263 -5.389 5.240 1.00 10.00 H +ATOM 788 HB3 ALA B 96 -5.157 -4.169 5.921 1.00 10.00 H +ATOM 789 N LYS B 97 -6.175 -1.623 7.050 1.00 10.00 N +ATOM 790 CA LYS B 97 -5.972 -0.503 7.975 1.00 10.00 C +ATOM 791 C LYS B 97 -7.290 0.227 8.234 1.00 10.00 C +ATOM 792 O LYS B 97 -7.571 0.589 9.375 1.00 10.00 O +ATOM 793 CB LYS B 97 -4.796 0.398 7.505 1.00 10.00 C +ATOM 794 CG LYS B 97 -5.163 1.797 6.994 1.00 10.00 C +ATOM 795 CD LYS B 97 -5.362 2.790 8.140 1.00 10.00 C +ATOM 796 CE LYS B 97 -6.377 3.866 7.758 1.00 10.00 C +ATOM 797 NZ LYS B 97 -6.482 4.862 8.838 1.00 10.00 N +ATOM 798 H LYS B 97 -5.628 -1.625 6.201 1.00 10.00 H +ATOM 799 HA LYS B 97 -5.673 -0.914 8.939 1.00 10.00 H +ATOM 800 HB2 LYS B 97 -4.094 0.497 8.333 1.00 10.00 H +ATOM 801 HB3 LYS B 97 -4.253 -0.100 6.701 1.00 10.00 H +ATOM 802 HG2 LYS B 97 -4.347 2.167 6.373 1.00 10.00 H +ATOM 803 HG3 LYS B 97 -6.044 1.754 6.354 1.00 10.00 H +ATOM 804 HD2 LYS B 97 -5.694 2.246 9.024 1.00 10.00 H +ATOM 805 HD3 LYS B 97 -4.405 3.245 8.397 1.00 10.00 H +ATOM 806 HE2 LYS B 97 -6.037 4.359 6.848 1.00 10.00 H +ATOM 807 HE3 LYS B 97 -7.345 3.404 7.564 1.00 10.00 H +ATOM 808 HZ1 LYS B 97 -6.714 4.410 9.711 1.00 10.00 H +ATOM 809 HZ2 LYS B 97 -5.595 5.331 8.948 1.00 10.00 H +ATOM 810 HZ3 LYS B 97 -7.168 5.568 8.610 1.00 10.00 H +ATOM 811 N TYR B 98 -8.112 0.414 7.195 1.00 10.00 N +ATOM 812 CA TYR B 98 -9.419 1.035 7.330 1.00 10.00 C +ATOM 813 C TYR B 98 -10.407 0.180 8.106 1.00 10.00 C +ATOM 814 O TYR B 98 -10.993 0.694 9.048 1.00 10.00 O +ATOM 815 CB TYR B 98 -10.023 1.364 5.975 1.00 10.00 C +ATOM 816 CG TYR B 98 -9.486 2.596 5.309 1.00 10.00 C +ATOM 817 CD1 TYR B 98 -9.586 3.835 5.961 1.00 10.00 C +ATOM 818 CD2 TYR B 98 -8.979 2.509 4.000 1.00 10.00 C +ATOM 819 CE1 TYR B 98 -9.153 4.994 5.309 1.00 10.00 C +ATOM 820 CE2 TYR B 98 -8.579 3.665 3.320 1.00 10.00 C +ATOM 821 CZ TYR B 98 -8.655 4.915 3.984 1.00 10.00 C +ATOM 822 OH TYR B 98 -8.220 6.052 3.382 1.00 10.00 O +ATOM 823 H TYR B 98 -7.789 0.128 6.282 1.00 10.00 H +ATOM 824 HA TYR B 98 -9.305 1.964 7.890 1.00 10.00 H +ATOM 825 HB2 TYR B 98 -9.894 0.519 5.299 1.00 10.00 H +ATOM 826 HB3 TYR B 98 -11.091 1.531 6.120 1.00 10.00 H +ATOM 827 HD1 TYR B 98 -9.997 3.880 6.958 1.00 10.00 H +ATOM 828 HD2 TYR B 98 -8.892 1.540 3.531 1.00 10.00 H +ATOM 829 HE1 TYR B 98 -9.211 5.949 5.809 1.00 10.00 H +ATOM 830 HE2 TYR B 98 -8.240 3.553 2.301 1.00 10.00 H +ATOM 831 HH TYR B 98 -7.432 5.860 2.868 1.00 10.00 H +ATOM 832 N VAL B 99 -10.641 -1.091 7.748 1.00 10.00 N +ATOM 833 CA VAL B 99 -11.581 -1.928 8.527 1.00 10.00 C +ATOM 834 C VAL B 99 -11.118 -2.089 9.983 1.00 10.00 C +ATOM 835 O VAL B 99 -11.941 -2.124 10.893 1.00 10.00 O +ATOM 836 CB VAL B 99 -11.885 -3.288 7.870 1.00 10.00 C +ATOM 837 CG1 VAL B 99 -12.496 -3.078 6.471 1.00 10.00 C +ATOM 838 CG2 VAL B 99 -10.649 -4.171 7.731 1.00 10.00 C +ATOM 839 H VAL B 99 -10.167 -1.477 6.943 1.00 10.00 H +ATOM 840 HA VAL B 99 -12.527 -1.388 8.570 1.00 10.00 H +ATOM 841 HB VAL B 99 -12.614 -3.809 8.490 1.00 10.00 H +ATOM 842 HG11 VAL B 99 -13.434 -2.533 6.577 1.00 10.00 H +ATOM 843 HG12 VAL B 99 -11.818 -2.520 5.824 1.00 10.00 H +ATOM 844 HG13 VAL B 99 -12.724 -4.044 6.022 1.00 10.00 H +ATOM 845 HG21 VAL B 99 -9.966 -3.690 7.031 1.00 10.00 H +ATOM 846 HG22 VAL B 99 -10.158 -4.307 8.695 1.00 10.00 H +ATOM 847 HG23 VAL B 99 -10.947 -5.153 7.363 1.00 10.00 H +ATOM 848 N ALA B 100 -9.806 -2.044 10.243 1.00 10.00 N +ATOM 849 CA ALA B 100 -9.241 -1.974 11.593 1.00 10.00 C +ATOM 850 C ALA B 100 -9.414 -0.602 12.290 1.00 10.00 C +ATOM 851 O ALA B 100 -8.898 -0.401 13.388 1.00 10.00 O +ATOM 852 CB ALA B 100 -7.758 -2.352 11.498 1.00 10.00 C +ATOM 853 H ALA B 100 -9.155 -2.058 9.471 1.00 10.00 H +ATOM 854 HA ALA B 100 -9.756 -2.709 12.212 1.00 10.00 H +ATOM 855 HB1 ALA B 100 -7.652 -3.320 11.008 1.00 10.00 H +ATOM 856 HB2 ALA B 100 -7.218 -1.597 10.927 1.00 10.00 H +ATOM 857 HB3 ALA B 100 -7.328 -2.410 12.498 1.00 10.00 H +ATOM 858 N ASN B 101 -10.094 0.371 11.675 1.00 10.00 N +ATOM 859 CA ASN B 101 -10.324 1.731 12.185 1.00 10.00 C +ATOM 860 C ASN B 101 -11.801 2.165 12.105 1.00 10.00 C +ATOM 861 O ASN B 101 -12.311 2.779 13.043 1.00 10.00 O +ATOM 862 CB ASN B 101 -9.438 2.716 11.388 1.00 10.00 C +ATOM 863 CG ASN B 101 -7.937 2.694 11.664 1.00 10.00 C +ATOM 864 OD1 ASN B 101 -7.208 3.484 11.076 1.00 10.00 O +ATOM 865 ND2 ASN B 101 -7.415 1.848 12.537 1.00 10.00 N +ATOM 866 H ASN B 101 -10.406 0.162 10.738 1.00 10.00 H +ATOM 867 HA ASN B 101 -10.052 1.785 13.239 1.00 10.00 H +ATOM 868 HB2 ASN B 101 -9.579 2.539 10.321 1.00 10.00 H +ATOM 869 HB3 ASN B 101 -9.762 3.736 11.595 1.00 10.00 H +ATOM 870 HD21 ASN B 101 -7.970 1.125 12.973 1.00 10.00 H +ATOM 871 HD22 ASN B 101 -6.409 1.883 12.612 1.00 10.00 H +ATOM 872 N GLN B 102 -12.459 1.886 10.975 1.00 10.00 N +ATOM 873 CA GLN B 102 -13.804 2.296 10.575 1.00 10.00 C +ATOM 874 C GLN B 102 -14.491 1.178 9.749 1.00 10.00 C +ATOM 875 O GLN B 102 -14.711 1.343 8.548 1.00 10.00 O +ATOM 876 CB GLN B 102 -13.716 3.601 9.752 1.00 10.00 C +ATOM 877 CG GLN B 102 -13.159 4.843 10.468 1.00 10.00 C +ATOM 878 CD GLN B 102 -14.117 5.372 11.545 1.00 10.00 C +ATOM 879 OE1 GLN B 102 -14.925 6.258 11.307 1.00 10.00 O +ATOM 880 NE2 GLN B 102 -14.069 4.866 12.768 1.00 10.00 N +ATOM 881 H GLN B 102 -11.921 1.385 10.283 1.00 10.00 H +ATOM 882 HA GLN B 102 -14.409 2.479 11.462 1.00 10.00 H +ATOM 883 HB2 GLN B 102 -13.098 3.427 8.871 1.00 10.00 H +ATOM 884 HB3 GLN B 102 -14.718 3.846 9.399 1.00 10.00 H +ATOM 885 HG2 GLN B 102 -12.181 4.629 10.899 1.00 10.00 H +ATOM 886 HG3 GLN B 102 -13.018 5.626 9.723 1.00 10.00 H +ATOM 887 HE21 GLN B 102 -13.418 4.133 13.011 1.00 10.00 H +ATOM 888 HE22 GLN B 102 -14.699 5.276 13.443 1.00 10.00 H +ATOM 889 N PRO B 103 -14.852 0.035 10.365 1.00 10.00 N +ATOM 890 CA PRO B 103 -15.392 -1.125 9.639 1.00 10.00 C +ATOM 891 C PRO B 103 -16.849 -0.937 9.183 1.00 10.00 C +ATOM 892 O PRO B 103 -17.256 -1.469 8.151 1.00 10.00 O +ATOM 893 CB PRO B 103 -15.265 -2.303 10.613 1.00 10.00 C +ATOM 894 CG PRO B 103 -15.306 -1.652 12.000 1.00 10.00 C +ATOM 895 CD PRO B 103 -14.667 -0.282 11.771 1.00 10.00 C +ATOM 896 HA PRO B 103 -14.791 -1.335 8.754 1.00 10.00 H +ATOM 897 HB2 PRO B 103 -16.070 -3.030 10.503 1.00 10.00 H +ATOM 898 HB3 PRO B 103 -14.304 -2.799 10.476 1.00 10.00 H +ATOM 899 HG2 PRO B 103 -16.347 -1.533 12.302 1.00 10.00 H +ATOM 900 HG3 PRO B 103 -14.751 -2.236 12.734 1.00 10.00 H +ATOM 901 HD2 PRO B 103 -15.136 0.461 12.415 1.00 10.00 H +ATOM 902 HD3 PRO B 103 -13.602 -0.323 12.003 1.00 10.00 H +ATOM 903 N GLY B 104 -17.654 -0.207 9.967 1.00 10.00 N +ATOM 904 CA GLY B 104 -19.099 -0.038 9.772 1.00 10.00 C +ATOM 905 C GLY B 104 -19.883 -1.337 9.964 1.00 10.00 C +ATOM 906 O GLY B 104 -20.600 -1.496 10.949 1.00 10.00 O +ATOM 907 H GLY B 104 -17.232 0.173 10.802 1.00 10.00 H +ATOM 908 HA2 GLY B 104 -19.475 0.698 10.484 1.00 10.00 H +ATOM 909 HA3 GLY B 104 -19.298 0.339 8.769 1.00 10.00 H +ATOM 910 N MET B 105 -19.721 -2.269 9.022 1.00 10.00 N +ATOM 911 CA MET B 105 -20.245 -3.638 9.057 1.00 10.00 C +ATOM 912 C MET B 105 -19.293 -4.691 8.459 1.00 10.00 C +ATOM 913 O MET B 105 -19.694 -5.850 8.335 1.00 10.00 O +ATOM 914 CB MET B 105 -21.655 -3.686 8.438 1.00 10.00 C +ATOM 915 CG MET B 105 -21.738 -3.674 6.907 1.00 10.00 C +ATOM 916 SD MET B 105 -21.178 -2.172 6.061 1.00 10.00 S +ATOM 917 CE MET B 105 -21.608 -2.635 4.362 1.00 10.00 C +ATOM 918 H MET B 105 -19.079 -2.006 8.288 1.00 10.00 H +ATOM 919 HA MET B 105 -20.355 -3.909 10.107 1.00 10.00 H +ATOM 920 HB2 MET B 105 -22.133 -4.606 8.773 1.00 10.00 H +ATOM 921 HB3 MET B 105 -22.236 -2.849 8.826 1.00 10.00 H +ATOM 922 HG2 MET B 105 -21.168 -4.517 6.516 1.00 10.00 H +ATOM 923 HG3 MET B 105 -22.782 -3.840 6.642 1.00 10.00 H +ATOM 924 HE1 MET B 105 -21.348 -1.819 3.687 1.00 10.00 H +ATOM 925 HE2 MET B 105 -21.049 -3.525 4.076 1.00 10.00 H +ATOM 926 HE3 MET B 105 -22.680 -2.822 4.296 1.00 10.00 H +ATOM 927 N GLN B 106 -18.054 -4.330 8.087 1.00 10.00 N +ATOM 928 CA GLN B 106 -17.031 -5.238 7.539 1.00 10.00 C +ATOM 929 C GLN B 106 -15.675 -4.980 8.197 1.00 10.00 C +ATOM 930 O GLN B 106 -15.192 -5.911 8.878 1.00 10.00 O +ATOM 931 CB GLN B 106 -16.929 -5.077 6.014 1.00 10.00 C +ATOM 932 CG GLN B 106 -18.157 -5.550 5.220 1.00 10.00 C +ATOM 933 CD GLN B 106 -18.360 -7.063 5.299 1.00 10.00 C +ATOM 934 OE1 GLN B 106 -17.911 -7.815 4.443 1.00 10.00 O +ATOM 935 NE2 GLN B 106 -19.038 -7.578 6.304 1.00 10.00 N +ATOM 936 OXT GLN B 106 -15.148 -3.869 7.998 1.00 10.00 O +ATOM 937 H GLN B 106 -17.745 -3.376 8.209 1.00 10.00 H +ATOM 938 HA GLN B 106 -17.286 -6.271 7.776 1.00 10.00 H +ATOM 939 HB2 GLN B 106 -16.747 -4.029 5.780 1.00 10.00 H +ATOM 940 HB3 GLN B 106 -16.060 -5.643 5.678 1.00 10.00 H +ATOM 941 HG2 GLN B 106 -19.054 -5.041 5.574 1.00 10.00 H +ATOM 942 HG3 GLN B 106 -18.005 -5.282 4.175 1.00 10.00 H +ATOM 943 HE21 GLN B 106 -19.369 -6.999 7.062 1.00 10.00 H +ATOM 944 HE22 GLN B 106 -19.113 -8.585 6.287 1.00 10.00 H +TER 945 GLN B 106 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_NUMB_1WJ1A_1WJ1A/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_NUMB_1WJ1A_1WJ1A/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..07d279a8b7dd5b8d13d2439845bbc69e963fead1 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_NUMB_1WJ1A_1WJ1A/state_a.pdb @@ -0,0 +1,2394 @@ +MODEL 1 +ATOM 1 N GLY A 1 5.982 -9.692 24.704 1.00 0.00 N +ATOM 2 CA GLY A 1 6.730 -9.692 23.458 1.00 0.00 C +ATOM 3 C GLY A 1 5.853 -10.152 22.292 1.00 0.00 C +ATOM 4 O GLY A 1 5.639 -11.348 22.106 1.00 0.00 O +ATOM 5 H1 GLY A 1 6.541 -9.692 25.533 1.00 0.00 H +ATOM 6 HA2 GLY A 1 7.111 -8.690 23.259 1.00 0.00 H +ATOM 7 HA3 GLY A 1 7.595 -10.349 23.550 1.00 0.00 H +ATOM 8 N SER A 2 5.370 -9.176 21.536 1.00 0.00 N +ATOM 9 CA SER A 2 4.521 -9.466 20.393 1.00 0.00 C +ATOM 10 C SER A 2 4.999 -8.675 19.173 1.00 0.00 C +ATOM 11 O SER A 2 5.299 -9.256 18.131 1.00 0.00 O +ATOM 12 CB SER A 2 3.058 -9.140 20.697 1.00 0.00 C +ATOM 13 OG SER A 2 2.262 -10.316 20.814 1.00 0.00 O +ATOM 14 H SER A 2 5.549 -8.205 21.695 1.00 0.00 H +ATOM 15 HA SER A 2 4.626 -10.537 20.220 1.00 0.00 H +ATOM 16 HB2 SER A 2 2.998 -8.568 21.623 1.00 0.00 H +ATOM 17 HB3 SER A 2 2.655 -8.507 19.906 1.00 0.00 H +ATOM 18 HG SER A 2 1.871 -10.555 19.925 1.00 0.00 H +ATOM 19 N SER A 3 5.055 -7.363 19.344 1.00 0.00 N +ATOM 20 CA SER A 3 5.491 -6.487 18.269 1.00 0.00 C +ATOM 21 C SER A 3 5.500 -5.034 18.750 1.00 0.00 C +ATOM 22 O SER A 3 6.507 -4.340 18.619 1.00 0.00 O +ATOM 23 CB SER A 3 4.593 -6.634 17.040 1.00 0.00 C +ATOM 24 OG SER A 3 5.277 -6.298 15.836 1.00 0.00 O +ATOM 25 H SER A 3 4.809 -6.898 20.194 1.00 0.00 H +ATOM 26 HA SER A 3 6.501 -6.814 18.022 1.00 0.00 H +ATOM 27 HB2 SER A 3 4.230 -7.660 16.977 1.00 0.00 H +ATOM 28 HB3 SER A 3 3.718 -5.993 17.151 1.00 0.00 H +ATOM 29 HG SER A 3 5.153 -5.327 15.631 1.00 0.00 H +ATOM 30 N GLY A 4 4.367 -4.618 19.295 1.00 0.00 N +ATOM 31 CA GLY A 4 4.231 -3.260 19.796 1.00 0.00 C +ATOM 32 C GLY A 4 4.430 -2.240 18.673 1.00 0.00 C +ATOM 33 O GLY A 4 4.867 -2.593 17.579 1.00 0.00 O +ATOM 34 H GLY A 4 3.552 -5.189 19.398 1.00 0.00 H +ATOM 35 HA2 GLY A 4 3.245 -3.130 20.240 1.00 0.00 H +ATOM 36 HA3 GLY A 4 4.962 -3.085 20.585 1.00 0.00 H +ATOM 37 N SER A 5 4.098 -0.995 18.983 1.00 0.00 N +ATOM 38 CA SER A 5 4.235 0.079 18.014 1.00 0.00 C +ATOM 39 C SER A 5 4.739 1.347 18.706 1.00 0.00 C +ATOM 40 O SER A 5 4.762 1.421 19.934 1.00 0.00 O +ATOM 41 CB SER A 5 2.907 0.354 17.306 1.00 0.00 C +ATOM 42 OG SER A 5 2.725 -0.485 16.168 1.00 0.00 O +ATOM 43 H SER A 5 3.743 -0.717 19.875 1.00 0.00 H +ATOM 44 HA SER A 5 4.966 -0.278 17.289 1.00 0.00 H +ATOM 45 HB2 SER A 5 2.084 0.200 18.005 1.00 0.00 H +ATOM 46 HB3 SER A 5 2.871 1.398 16.995 1.00 0.00 H +ATOM 47 HG SER A 5 3.613 -0.755 15.797 1.00 0.00 H +ATOM 48 N SER A 6 5.132 2.313 17.888 1.00 0.00 N +ATOM 49 CA SER A 6 5.635 3.574 18.406 1.00 0.00 C +ATOM 50 C SER A 6 6.100 4.465 17.253 1.00 0.00 C +ATOM 51 O SER A 6 7.152 4.224 16.663 1.00 0.00 O +ATOM 52 CB SER A 6 6.779 3.345 19.395 1.00 0.00 C +ATOM 53 OG SER A 6 6.327 3.355 20.747 1.00 0.00 O +ATOM 54 H SER A 6 5.110 2.244 16.891 1.00 0.00 H +ATOM 55 HA SER A 6 4.792 4.029 18.926 1.00 0.00 H +ATOM 56 HB2 SER A 6 7.259 2.391 19.181 1.00 0.00 H +ATOM 57 HB3 SER A 6 7.535 4.119 19.260 1.00 0.00 H +ATOM 58 HG SER A 6 6.570 4.222 21.183 1.00 0.00 H +ATOM 59 N GLY A 7 5.293 5.476 16.966 1.00 0.00 N +ATOM 60 CA GLY A 7 5.608 6.404 15.894 1.00 0.00 C +ATOM 61 C GLY A 7 6.448 7.574 16.411 1.00 0.00 C +ATOM 62 O GLY A 7 6.340 7.954 17.575 1.00 0.00 O +ATOM 63 H GLY A 7 4.438 5.664 17.450 1.00 0.00 H +ATOM 64 HA2 GLY A 7 6.150 5.883 15.104 1.00 0.00 H +ATOM 65 HA3 GLY A 7 4.686 6.782 15.451 1.00 0.00 H +ATOM 66 N ALA A 8 7.268 8.112 15.519 1.00 0.00 N +ATOM 67 CA ALA A 8 8.126 9.230 15.870 1.00 0.00 C +ATOM 68 C ALA A 8 8.846 9.729 14.616 1.00 0.00 C +ATOM 69 O ALA A 8 8.905 9.025 13.609 1.00 0.00 O +ATOM 70 CB ALA A 8 9.100 8.801 16.969 1.00 0.00 C +ATOM 71 H ALA A 8 7.350 7.797 14.573 1.00 0.00 H +ATOM 72 HA ALA A 8 7.491 10.027 16.256 1.00 0.00 H +ATOM 73 HB1 ALA A 8 9.878 8.169 16.539 1.00 0.00 H +ATOM 74 HB2 ALA A 8 9.556 9.684 17.417 1.00 0.00 H +ATOM 75 HB3 ALA A 8 8.561 8.243 17.735 1.00 0.00 H +ATOM 76 N SER A 9 9.374 10.940 14.718 1.00 0.00 N +ATOM 77 CA SER A 9 10.088 11.541 13.604 1.00 0.00 C +ATOM 78 C SER A 9 11.257 10.647 13.187 1.00 0.00 C +ATOM 79 O SER A 9 11.687 9.785 13.952 1.00 0.00 O +ATOM 80 CB SER A 9 10.591 12.940 13.963 1.00 0.00 C +ATOM 81 OG SER A 9 9.760 13.963 13.420 1.00 0.00 O +ATOM 82 H SER A 9 9.322 11.505 15.540 1.00 0.00 H +ATOM 83 HA SER A 9 9.356 11.614 12.799 1.00 0.00 H +ATOM 84 HB2 SER A 9 10.632 13.043 15.047 1.00 0.00 H +ATOM 85 HB3 SER A 9 11.609 13.065 13.593 1.00 0.00 H +ATOM 86 HG SER A 9 9.873 14.004 12.427 1.00 0.00 H +ATOM 87 N ARG A 10 11.737 10.882 11.975 1.00 0.00 N +ATOM 88 CA ARG A 10 12.848 10.108 11.447 1.00 0.00 C +ATOM 89 C ARG A 10 13.658 10.949 10.458 1.00 0.00 C +ATOM 90 O ARG A 10 13.142 11.905 9.882 1.00 0.00 O +ATOM 91 CB ARG A 10 12.354 8.842 10.745 1.00 0.00 C +ATOM 92 CG ARG A 10 11.800 7.835 11.755 1.00 0.00 C +ATOM 93 CD ARG A 10 12.893 7.365 12.717 1.00 0.00 C +ATOM 94 NE ARG A 10 12.450 6.147 13.431 1.00 0.00 N +ATOM 95 CZ ARG A 10 13.134 5.571 14.429 1.00 0.00 C +ATOM 96 NH1 ARG A 10 14.296 6.098 14.837 1.00 0.00 N +ATOM 97 NH2 ARG A 10 12.655 4.467 15.019 1.00 0.00 N +ATOM 98 H ARG A 10 11.381 11.584 11.359 1.00 0.00 H +ATOM 99 HA ARG A 10 13.446 9.847 12.321 1.00 0.00 H +ATOM 100 HB2 ARG A 10 11.580 9.101 10.023 1.00 0.00 H +ATOM 101 HB3 ARG A 10 13.172 8.389 10.186 1.00 0.00 H +ATOM 102 HG2 ARG A 10 10.986 8.291 12.319 1.00 0.00 H +ATOM 103 HG3 ARG A 10 11.381 6.978 11.228 1.00 0.00 H +ATOM 104 HD2 ARG A 10 13.811 7.160 12.165 1.00 0.00 H +ATOM 105 HD3 ARG A 10 13.123 8.154 13.434 1.00 0.00 H +ATOM 106 HE ARG A 10 11.587 5.727 13.150 1.00 0.00 H +ATOM 107 HH11 ARG A 10 14.653 6.922 14.397 1.00 0.00 H +ATOM 108 HH12 ARG A 10 14.806 5.668 15.582 1.00 0.00 H +ATOM 109 HH21 ARG A 10 11.788 4.073 14.714 1.00 0.00 H +ATOM 110 HH22 ARG A 10 13.165 4.037 15.764 1.00 0.00 H +ATOM 111 N PRO A 11 14.947 10.551 10.286 1.00 0.00 N +ATOM 112 CA PRO A 11 15.833 11.257 9.376 1.00 0.00 C +ATOM 113 C PRO A 11 15.501 10.926 7.920 1.00 0.00 C +ATOM 114 O PRO A 11 15.208 11.820 7.127 1.00 0.00 O +ATOM 115 CB PRO A 11 17.234 10.826 9.778 1.00 0.00 C +ATOM 116 CG PRO A 11 17.063 9.548 10.583 1.00 0.00 C +ATOM 117 CD PRO A 11 15.593 9.423 10.951 1.00 0.00 C +ATOM 118 HA PRO A 11 15.709 12.245 9.467 1.00 0.00 H +ATOM 119 HB2 PRO A 11 17.857 10.653 8.900 1.00 0.00 H +ATOM 120 HB3 PRO A 11 17.726 11.598 10.370 1.00 0.00 H +ATOM 121 HG2 PRO A 11 17.386 8.684 10.003 1.00 0.00 H +ATOM 122 HG3 PRO A 11 17.679 9.577 11.482 1.00 0.00 H +ATOM 123 HD2 PRO A 11 15.179 8.473 10.611 1.00 0.00 H +ATOM 124 HD3 PRO A 11 15.450 9.464 12.030 1.00 0.00 H +ATOM 125 N HIS A 12 15.557 9.638 7.611 1.00 0.00 N +ATOM 126 CA HIS A 12 15.265 9.178 6.264 1.00 0.00 C +ATOM 127 C HIS A 12 13.804 9.478 5.925 1.00 0.00 C +ATOM 128 O HIS A 12 13.038 9.908 6.786 1.00 0.00 O +ATOM 129 CB HIS A 12 15.618 7.698 6.107 1.00 0.00 C +ATOM 130 CG HIS A 12 17.102 7.424 6.040 1.00 0.00 C +ATOM 131 ND1 HIS A 12 17.784 6.744 7.033 1.00 0.00 N +ATOM 132 CD2 HIS A 12 18.025 7.745 5.089 1.00 0.00 C +ATOM 133 CE1 HIS A 12 19.060 6.666 6.686 1.00 0.00 C +ATOM 134 NE2 HIS A 12 19.208 7.287 5.481 1.00 0.00 N +ATOM 135 H HIS A 12 15.796 8.917 8.262 1.00 0.00 H +ATOM 136 HA HIS A 12 15.909 9.747 5.593 1.00 0.00 H +ATOM 137 HB2 HIS A 12 15.194 7.143 6.944 1.00 0.00 H +ATOM 138 HB3 HIS A 12 15.147 7.317 5.201 1.00 0.00 H +ATOM 139 HD1 HIS A 12 17.383 6.375 7.871 1.00 0.00 H +ATOM 140 HD2 HIS A 12 17.825 8.286 4.164 1.00 0.00 H +ATOM 141 HE1 HIS A 12 19.853 6.188 7.261 1.00 0.00 H +ATOM 142 N GLN A 13 13.461 9.240 4.667 1.00 0.00 N +ATOM 143 CA GLN A 13 12.105 9.480 4.203 1.00 0.00 C +ATOM 144 C GLN A 13 11.535 8.216 3.555 1.00 0.00 C +ATOM 145 O GLN A 13 10.375 7.870 3.775 1.00 0.00 O +ATOM 146 CB GLN A 13 12.058 10.662 3.233 1.00 0.00 C +ATOM 147 CG GLN A 13 10.658 10.828 2.639 1.00 0.00 C +ATOM 148 CD GLN A 13 9.668 11.317 3.697 1.00 0.00 C +ATOM 149 OE1 GLN A 13 9.160 10.558 4.507 1.00 0.00 O +ATOM 150 NE2 GLN A 13 9.422 12.623 3.647 1.00 0.00 N +ATOM 151 H GLN A 13 14.090 8.891 3.973 1.00 0.00 H +ATOM 152 HA GLN A 13 11.532 9.728 5.097 1.00 0.00 H +ATOM 153 HB2 GLN A 13 12.347 11.575 3.753 1.00 0.00 H +ATOM 154 HB3 GLN A 13 12.781 10.509 2.432 1.00 0.00 H +ATOM 155 HG2 GLN A 13 10.692 11.538 1.812 1.00 0.00 H +ATOM 156 HG3 GLN A 13 10.318 9.878 2.228 1.00 0.00 H +ATOM 157 HE21 GLN A 13 9.872 13.190 2.957 1.00 0.00 H +ATOM 158 HE22 GLN A 13 8.787 13.038 4.298 1.00 0.00 H +ATOM 159 N TRP A 14 12.377 7.561 2.769 1.00 0.00 N +ATOM 160 CA TRP A 14 11.971 6.344 2.088 1.00 0.00 C +ATOM 161 C TRP A 14 12.602 5.159 2.821 1.00 0.00 C +ATOM 162 O TRP A 14 11.903 4.231 3.227 1.00 0.00 O +ATOM 163 CB TRP A 14 12.344 6.395 0.604 1.00 0.00 C +ATOM 164 CG TRP A 14 11.629 7.498 -0.179 1.00 0.00 C +ATOM 165 CD1 TRP A 14 11.469 8.783 0.166 1.00 0.00 C +ATOM 166 CD2 TRP A 14 10.981 7.361 -1.461 1.00 0.00 C +ATOM 167 NE1 TRP A 14 10.767 9.481 -0.796 1.00 0.00 N +ATOM 168 CE2 TRP A 14 10.461 8.588 -1.817 1.00 0.00 C +ATOM 169 CE3 TRP A 14 10.838 6.236 -2.292 1.00 0.00 C +ATOM 170 CZ2 TRP A 14 9.764 8.809 -3.011 1.00 0.00 C +ATOM 171 CZ3 TRP A 14 10.139 6.472 -3.482 1.00 0.00 C +ATOM 172 CH2 TRP A 14 9.609 7.702 -3.855 1.00 0.00 C +ATOM 173 H TRP A 14 13.318 7.849 2.595 1.00 0.00 H +ATOM 174 HA TRP A 14 10.884 6.279 2.140 1.00 0.00 H +ATOM 175 HB2 TRP A 14 13.420 6.540 0.516 1.00 0.00 H +ATOM 176 HB3 TRP A 14 12.113 5.432 0.149 1.00 0.00 H +ATOM 177 HD1 TRP A 14 11.845 9.222 1.090 1.00 0.00 H +ATOM 178 HE1 TRP A 14 10.502 10.538 -0.762 1.00 0.00 H +ATOM 179 HE3 TRP A 14 11.239 5.256 -2.033 1.00 0.00 H +ATOM 180 HZ2 TRP A 14 9.363 9.789 -3.269 1.00 0.00 H +ATOM 181 HZ3 TRP A 14 10.000 5.633 -4.163 1.00 0.00 H +ATOM 182 HH2 TRP A 14 9.077 7.805 -4.800 1.00 0.00 H +ATOM 183 N GLN A 15 13.917 5.228 2.971 1.00 0.00 N +ATOM 184 CA GLN A 15 14.650 4.172 3.649 1.00 0.00 C +ATOM 185 C GLN A 15 13.958 3.806 4.963 1.00 0.00 C +ATOM 186 O GLN A 15 13.875 2.632 5.319 1.00 0.00 O +ATOM 187 CB GLN A 15 16.104 4.582 3.889 1.00 0.00 C +ATOM 188 CG GLN A 15 16.729 3.752 5.013 1.00 0.00 C +ATOM 189 CD GLN A 15 18.197 3.441 4.713 1.00 0.00 C +ATOM 190 OE1 GLN A 15 18.595 2.300 4.548 1.00 0.00 O +ATOM 191 NE2 GLN A 15 18.976 4.517 4.653 1.00 0.00 N +ATOM 192 H GLN A 15 14.478 5.986 2.638 1.00 0.00 H +ATOM 193 HA GLN A 15 14.626 3.321 2.969 1.00 0.00 H +ATOM 194 HB2 GLN A 15 16.679 4.451 2.973 1.00 0.00 H +ATOM 195 HB3 GLN A 15 16.150 5.640 4.146 1.00 0.00 H +ATOM 196 HG2 GLN A 15 16.653 4.294 5.955 1.00 0.00 H +ATOM 197 HG3 GLN A 15 16.174 2.822 5.134 1.00 0.00 H +ATOM 198 HE21 GLN A 15 18.585 5.426 4.799 1.00 0.00 H +ATOM 199 HE22 GLN A 15 19.953 4.417 4.463 1.00 0.00 H +ATOM 200 N THR A 16 13.480 4.834 5.650 1.00 0.00 N +ATOM 201 CA THR A 16 12.799 4.635 6.918 1.00 0.00 C +ATOM 202 C THR A 16 11.648 3.640 6.754 1.00 0.00 C +ATOM 203 O THR A 16 11.319 2.907 7.686 1.00 0.00 O +ATOM 204 CB THR A 16 12.350 6.004 7.433 1.00 0.00 C +ATOM 205 OG1 THR A 16 11.571 5.702 8.587 1.00 0.00 O +ATOM 206 CG2 THR A 16 11.363 6.691 6.487 1.00 0.00 C +ATOM 207 H THR A 16 13.552 5.786 5.354 1.00 0.00 H +ATOM 208 HA THR A 16 13.504 4.195 7.622 1.00 0.00 H +ATOM 209 HB THR A 16 13.209 6.645 7.633 1.00 0.00 H +ATOM 210 HG1 THR A 16 12.124 5.197 9.250 1.00 0.00 H +ATOM 211 HG21 THR A 16 10.467 6.078 6.389 1.00 0.00 H +ATOM 212 HG22 THR A 16 11.093 7.667 6.890 1.00 0.00 H +ATOM 213 HG23 THR A 16 11.826 6.818 5.508 1.00 0.00 H +ATOM 214 N ASP A 17 11.067 3.647 5.563 1.00 0.00 N +ATOM 215 CA ASP A 17 9.960 2.754 5.266 1.00 0.00 C +ATOM 216 C ASP A 17 10.507 1.367 4.925 1.00 0.00 C +ATOM 217 O ASP A 17 9.781 0.376 4.992 1.00 0.00 O +ATOM 218 CB ASP A 17 9.157 3.254 4.064 1.00 0.00 C +ATOM 219 CG ASP A 17 8.359 4.537 4.307 1.00 0.00 C +ATOM 220 OD1 ASP A 17 8.159 4.863 5.497 1.00 0.00 O +ATOM 221 OD2 ASP A 17 7.968 5.163 3.298 1.00 0.00 O +ATOM 222 H ASP A 17 11.340 4.246 4.811 1.00 0.00 H +ATOM 223 HA ASP A 17 9.345 2.750 6.166 1.00 0.00 H +ATOM 224 HB2 ASP A 17 9.842 3.423 3.233 1.00 0.00 H +ATOM 225 HB3 ASP A 17 8.467 2.469 3.754 1.00 0.00 H +ATOM 226 N GLU A 18 11.782 1.340 4.566 1.00 0.00 N +ATOM 227 CA GLU A 18 12.434 0.090 4.214 1.00 0.00 C +ATOM 228 C GLU A 18 12.768 -0.708 5.476 1.00 0.00 C +ATOM 229 O GLU A 18 13.006 -1.913 5.407 1.00 0.00 O +ATOM 230 CB GLU A 18 13.690 0.344 3.378 1.00 0.00 C +ATOM 231 CG GLU A 18 14.310 -0.973 2.906 1.00 0.00 C +ATOM 232 CD GLU A 18 15.138 -0.766 1.636 1.00 0.00 C +ATOM 233 OE1 GLU A 18 16.331 -0.425 1.786 1.00 0.00 O +ATOM 234 OE2 GLU A 18 14.559 -0.953 0.545 1.00 0.00 O +ATOM 235 H GLU A 18 12.365 2.150 4.514 1.00 0.00 H +ATOM 236 HA GLU A 18 11.708 -0.456 3.611 1.00 0.00 H +ATOM 237 HB2 GLU A 18 13.439 0.961 2.515 1.00 0.00 H +ATOM 238 HB3 GLU A 18 14.417 0.902 3.967 1.00 0.00 H +ATOM 239 HG2 GLU A 18 14.942 -1.384 3.694 1.00 0.00 H +ATOM 240 HG3 GLU A 18 13.523 -1.703 2.716 1.00 0.00 H +ATOM 241 N GLU A 19 12.774 -0.004 6.598 1.00 0.00 N +ATOM 242 CA GLU A 19 13.075 -0.632 7.874 1.00 0.00 C +ATOM 243 C GLU A 19 11.781 -1.033 8.586 1.00 0.00 C +ATOM 244 O GLU A 19 11.627 -2.180 9.003 1.00 0.00 O +ATOM 245 CB GLU A 19 13.922 0.289 8.753 1.00 0.00 C +ATOM 246 CG GLU A 19 15.196 0.723 8.025 1.00 0.00 C +ATOM 247 CD GLU A 19 16.275 1.156 9.019 1.00 0.00 C +ATOM 248 OE1 GLU A 19 15.994 2.104 9.784 1.00 0.00 O +ATOM 249 OE2 GLU A 19 17.357 0.529 8.992 1.00 0.00 O +ATOM 250 H GLU A 19 12.580 0.975 6.645 1.00 0.00 H +ATOM 251 HA GLU A 19 13.653 -1.523 7.629 1.00 0.00 H +ATOM 252 HB2 GLU A 19 13.340 1.169 9.030 1.00 0.00 H +ATOM 253 HB3 GLU A 19 14.184 -0.224 9.678 1.00 0.00 H +ATOM 254 HG2 GLU A 19 15.568 -0.100 7.415 1.00 0.00 H +ATOM 255 HG3 GLU A 19 14.970 1.545 7.347 1.00 0.00 H +ATOM 256 N GLY A 20 10.884 -0.065 8.703 1.00 0.00 N +ATOM 257 CA GLY A 20 9.608 -0.302 9.357 1.00 0.00 C +ATOM 258 C GLY A 20 8.885 -1.496 8.732 1.00 0.00 C +ATOM 259 O GLY A 20 7.958 -2.045 9.325 1.00 0.00 O +ATOM 260 H GLY A 20 11.017 0.865 8.361 1.00 0.00 H +ATOM 261 HA2 GLY A 20 9.769 -0.486 10.420 1.00 0.00 H +ATOM 262 HA3 GLY A 20 8.984 0.588 9.279 1.00 0.00 H +ATOM 263 N VAL A 21 9.335 -1.863 7.541 1.00 0.00 N +ATOM 264 CA VAL A 21 8.742 -2.982 6.828 1.00 0.00 C +ATOM 265 C VAL A 21 9.386 -4.285 7.307 1.00 0.00 C +ATOM 266 O VAL A 21 8.770 -5.347 7.238 1.00 0.00 O +ATOM 267 CB VAL A 21 8.874 -2.770 5.319 1.00 0.00 C +ATOM 268 CG1 VAL A 21 10.345 -2.731 4.897 1.00 0.00 C +ATOM 269 CG2 VAL A 21 8.110 -3.846 4.545 1.00 0.00 C +ATOM 270 H VAL A 21 10.090 -1.411 7.065 1.00 0.00 H +ATOM 271 HA VAL A 21 7.681 -3.003 7.075 1.00 0.00 H +ATOM 272 HB VAL A 21 8.431 -1.804 5.076 1.00 0.00 H +ATOM 273 HG11 VAL A 21 10.422 -2.938 3.829 1.00 0.00 H +ATOM 274 HG12 VAL A 21 10.757 -1.744 5.107 1.00 0.00 H +ATOM 275 HG13 VAL A 21 10.902 -3.484 5.454 1.00 0.00 H +ATOM 276 HG21 VAL A 21 8.342 -3.764 3.483 1.00 0.00 H +ATOM 277 HG22 VAL A 21 8.404 -4.831 4.906 1.00 0.00 H +ATOM 278 HG23 VAL A 21 7.039 -3.709 4.695 1.00 0.00 H +ATOM 279 N ARG A 22 10.616 -4.160 7.782 1.00 0.00 N +ATOM 280 CA ARG A 22 11.350 -5.314 8.273 1.00 0.00 C +ATOM 281 C ARG A 22 11.353 -5.331 9.803 1.00 0.00 C +ATOM 282 O ARG A 22 11.217 -6.388 10.416 1.00 0.00 O +ATOM 283 CB ARG A 22 12.794 -5.305 7.767 1.00 0.00 C +ATOM 284 CG ARG A 22 13.400 -3.904 7.865 1.00 0.00 C +ATOM 285 CD ARG A 22 14.888 -3.924 7.507 1.00 0.00 C +ATOM 286 NE ARG A 22 15.668 -3.214 8.544 1.00 0.00 N +ATOM 287 CZ ARG A 22 16.105 -3.782 9.676 1.00 0.00 C +ATOM 288 NH1 ARG A 22 15.841 -5.072 9.924 1.00 0.00 N +ATOM 289 NH2 ARG A 22 16.806 -3.060 10.561 1.00 0.00 N +ATOM 290 H ARG A 22 11.110 -3.292 7.835 1.00 0.00 H +ATOM 291 HA ARG A 22 10.814 -6.175 7.873 1.00 0.00 H +ATOM 292 HB2 ARG A 22 13.391 -6.006 8.349 1.00 0.00 H +ATOM 293 HB3 ARG A 22 12.822 -5.646 6.732 1.00 0.00 H +ATOM 294 HG2 ARG A 22 12.870 -3.227 7.195 1.00 0.00 H +ATOM 295 HG3 ARG A 22 13.271 -3.518 8.876 1.00 0.00 H +ATOM 296 HD2 ARG A 22 15.235 -4.954 7.420 1.00 0.00 H +ATOM 297 HD3 ARG A 22 15.043 -3.453 6.536 1.00 0.00 H +ATOM 298 HE ARG A 22 15.882 -2.249 8.391 1.00 0.00 H +ATOM 299 HH11 ARG A 22 15.318 -5.611 9.264 1.00 0.00 H +ATOM 300 HH12 ARG A 22 16.168 -5.496 10.769 1.00 0.00 H +ATOM 301 HH21 ARG A 22 17.003 -2.097 10.376 1.00 0.00 H +ATOM 302 HH22 ARG A 22 17.133 -3.483 11.406 1.00 0.00 H +ATOM 303 N THR A 23 11.509 -4.146 10.375 1.00 0.00 N +ATOM 304 CA THR A 23 11.532 -4.010 11.821 1.00 0.00 C +ATOM 305 C THR A 23 10.109 -4.046 12.383 1.00 0.00 C +ATOM 306 O THR A 23 9.836 -4.760 13.347 1.00 0.00 O +ATOM 307 CB THR A 23 12.288 -2.725 12.164 1.00 0.00 C +ATOM 308 OG1 THR A 23 11.383 -1.684 11.808 1.00 0.00 O +ATOM 309 CG2 THR A 23 13.497 -2.497 11.254 1.00 0.00 C +ATOM 310 H THR A 23 11.619 -3.290 9.869 1.00 0.00 H +ATOM 311 HA THR A 23 12.062 -4.867 12.238 1.00 0.00 H +ATOM 312 HB THR A 23 12.584 -2.716 13.213 1.00 0.00 H +ATOM 313 HG1 THR A 23 11.268 -1.656 10.815 1.00 0.00 H +ATOM 314 HG21 THR A 23 14.314 -2.071 11.836 1.00 0.00 H +ATOM 315 HG22 THR A 23 13.813 -3.447 10.825 1.00 0.00 H +ATOM 316 HG23 THR A 23 13.224 -1.809 10.454 1.00 0.00 H +ATOM 317 N GLY A 24 9.240 -3.267 11.755 1.00 0.00 N +ATOM 318 CA GLY A 24 7.852 -3.201 12.180 1.00 0.00 C +ATOM 319 C GLY A 24 7.486 -1.788 12.639 1.00 0.00 C +ATOM 320 O GLY A 24 7.173 -1.573 13.809 1.00 0.00 O +ATOM 321 H GLY A 24 9.470 -2.690 10.972 1.00 0.00 H +ATOM 322 HA2 GLY A 24 7.202 -3.500 11.358 1.00 0.00 H +ATOM 323 HA3 GLY A 24 7.683 -3.906 12.994 1.00 0.00 H +ATOM 324 N LYS A 25 7.538 -0.861 11.693 1.00 0.00 N +ATOM 325 CA LYS A 25 7.216 0.525 11.986 1.00 0.00 C +ATOM 326 C LYS A 25 7.241 1.335 10.688 1.00 0.00 C +ATOM 327 O LYS A 25 7.795 2.432 10.647 1.00 0.00 O +ATOM 328 CB LYS A 25 8.145 1.074 13.070 1.00 0.00 C +ATOM 329 CG LYS A 25 9.600 0.693 12.790 1.00 0.00 C +ATOM 330 CD LYS A 25 10.248 1.679 11.816 1.00 0.00 C +ATOM 331 CE LYS A 25 11.759 1.456 11.733 1.00 0.00 C +ATOM 332 NZ LYS A 25 12.384 1.645 13.061 1.00 0.00 N +ATOM 333 H LYS A 25 7.794 -1.044 10.744 1.00 0.00 H +ATOM 334 HA LYS A 25 6.203 0.548 12.388 1.00 0.00 H +ATOM 335 HB2 LYS A 25 8.053 2.159 13.120 1.00 0.00 H +ATOM 336 HB3 LYS A 25 7.845 0.685 14.043 1.00 0.00 H +ATOM 337 HG2 LYS A 25 10.162 0.677 13.724 1.00 0.00 H +ATOM 338 HG3 LYS A 25 9.643 -0.314 12.376 1.00 0.00 H +ATOM 339 HD2 LYS A 25 9.804 1.562 10.827 1.00 0.00 H +ATOM 340 HD3 LYS A 25 10.044 2.700 12.138 1.00 0.00 H +ATOM 341 HE2 LYS A 25 11.964 0.450 11.367 1.00 0.00 H +ATOM 342 HE3 LYS A 25 12.196 2.151 11.016 1.00 0.00 H +ATOM 343 HZ1 LYS A 25 13.323 1.969 12.945 1.00 0.00 H +ATOM 344 HZ2 LYS A 25 11.861 2.318 13.583 1.00 0.00 H +ATOM 345 HZ3 LYS A 25 12.391 0.774 13.553 1.00 0.00 H +ATOM 346 N CYS A 26 6.633 0.762 9.659 1.00 0.00 N +ATOM 347 CA CYS A 26 6.578 1.417 8.363 1.00 0.00 C +ATOM 348 C CYS A 26 5.127 1.815 8.087 1.00 0.00 C +ATOM 349 O CYS A 26 4.484 1.256 7.199 1.00 0.00 O +ATOM 350 CB CYS A 26 7.147 0.527 7.256 1.00 0.00 C +ATOM 351 SG CYS A 26 6.956 1.350 5.632 1.00 0.00 S +ATOM 352 H CYS A 26 6.184 -0.131 9.701 1.00 0.00 H +ATOM 353 HA CYS A 26 7.215 2.299 8.431 1.00 0.00 H +ATOM 354 HB2 CYS A 26 8.200 0.323 7.447 1.00 0.00 H +ATOM 355 HB3 CYS A 26 6.631 -0.433 7.249 1.00 0.00 H +ATOM 356 HG CYS A 26 6.988 2.594 6.102 1.00 0.00 H +ATOM 357 N SER A 27 4.652 2.777 8.864 1.00 0.00 N +ATOM 358 CA SER A 27 3.289 3.256 8.714 1.00 0.00 C +ATOM 359 C SER A 27 3.280 4.781 8.592 1.00 0.00 C +ATOM 360 O SER A 27 4.057 5.465 9.257 1.00 0.00 O +ATOM 361 CB SER A 27 2.417 2.813 9.890 1.00 0.00 C +ATOM 362 OG SER A 27 2.724 3.530 11.083 1.00 0.00 O +ATOM 363 H SER A 27 5.181 3.226 9.584 1.00 0.00 H +ATOM 364 HA SER A 27 2.921 2.797 7.797 1.00 0.00 H +ATOM 365 HB2 SER A 27 1.366 2.960 9.639 1.00 0.00 H +ATOM 366 HB3 SER A 27 2.556 1.746 10.063 1.00 0.00 H +ATOM 367 HG SER A 27 2.067 4.273 11.213 1.00 0.00 H +ATOM 368 N PHE A 28 2.393 5.270 7.738 1.00 0.00 N +ATOM 369 CA PHE A 28 2.273 6.702 7.521 1.00 0.00 C +ATOM 370 C PHE A 28 0.805 7.121 7.427 1.00 0.00 C +ATOM 371 O PHE A 28 -0.075 6.279 7.258 1.00 0.00 O +ATOM 372 CB PHE A 28 2.966 7.012 6.192 1.00 0.00 C +ATOM 373 CG PHE A 28 3.103 5.803 5.265 1.00 0.00 C +ATOM 374 CD1 PHE A 28 4.047 4.856 5.516 1.00 0.00 C +ATOM 375 CD2 PHE A 28 2.281 5.674 4.189 1.00 0.00 C +ATOM 376 CE1 PHE A 28 4.174 3.734 4.655 1.00 0.00 C +ATOM 377 CE2 PHE A 28 2.408 4.552 3.328 1.00 0.00 C +ATOM 378 CZ PHE A 28 3.352 3.606 3.579 1.00 0.00 C +ATOM 379 H PHE A 28 1.765 4.707 7.201 1.00 0.00 H +ATOM 380 HA PHE A 28 2.737 7.198 8.373 1.00 0.00 H +ATOM 381 HB2 PHE A 28 2.406 7.791 5.676 1.00 0.00 H +ATOM 382 HB3 PHE A 28 3.958 7.414 6.397 1.00 0.00 H +ATOM 383 HD1 PHE A 28 4.706 4.959 6.378 1.00 0.00 H +ATOM 384 HD2 PHE A 28 1.524 6.433 3.987 1.00 0.00 H +ATOM 385 HE1 PHE A 28 4.931 2.976 4.857 1.00 0.00 H +ATOM 386 HE2 PHE A 28 1.749 4.449 2.466 1.00 0.00 H +ATOM 387 HZ PHE A 28 3.450 2.744 2.919 1.00 0.00 H +ATOM 388 N PRO A 29 0.580 8.457 7.545 1.00 0.00 N +ATOM 389 CA PRO A 29 -0.766 8.999 7.475 1.00 0.00 C +ATOM 390 C PRO A 29 -1.282 9.003 6.034 1.00 0.00 C +ATOM 391 O PRO A 29 -0.719 9.677 5.172 1.00 0.00 O +ATOM 392 CB PRO A 29 -0.662 10.392 8.073 1.00 0.00 C +ATOM 393 CG PRO A 29 0.814 10.755 8.028 1.00 0.00 C +ATOM 394 CD PRO A 29 1.598 9.484 7.746 1.00 0.00 C +ATOM 395 HA PRO A 29 -1.400 8.421 7.990 1.00 0.00 H +ATOM 396 HB2 PRO A 29 -1.257 11.107 7.505 1.00 0.00 H +ATOM 397 HB3 PRO A 29 -1.036 10.407 9.096 1.00 0.00 H +ATOM 398 HG2 PRO A 29 1.000 11.499 7.253 1.00 0.00 H +ATOM 399 HG3 PRO A 29 1.128 11.196 8.974 1.00 0.00 H +ATOM 400 HD2 PRO A 29 2.229 9.595 6.864 1.00 0.00 H +ATOM 401 HD3 PRO A 29 2.256 9.232 8.578 1.00 0.00 H +ATOM 402 N VAL A 30 -2.346 8.245 5.818 1.00 0.00 N +ATOM 403 CA VAL A 30 -2.943 8.153 4.496 1.00 0.00 C +ATOM 404 C VAL A 30 -4.461 8.022 4.635 1.00 0.00 C +ATOM 405 O VAL A 30 -4.983 7.956 5.747 1.00 0.00 O +ATOM 406 CB VAL A 30 -2.313 6.998 3.716 1.00 0.00 C +ATOM 407 CG1 VAL A 30 -0.828 6.853 4.055 1.00 0.00 C +ATOM 408 CG2 VAL A 30 -3.064 5.690 3.971 1.00 0.00 C +ATOM 409 H VAL A 30 -2.798 7.700 6.524 1.00 0.00 H +ATOM 410 HA VAL A 30 -2.718 9.080 3.968 1.00 0.00 H +ATOM 411 HB VAL A 30 -2.393 7.228 2.653 1.00 0.00 H +ATOM 412 HG11 VAL A 30 -0.424 5.975 3.551 1.00 0.00 H +ATOM 413 HG12 VAL A 30 -0.291 7.741 3.722 1.00 0.00 H +ATOM 414 HG13 VAL A 30 -0.711 6.740 5.133 1.00 0.00 H +ATOM 415 HG21 VAL A 30 -2.935 5.394 5.012 1.00 0.00 H +ATOM 416 HG22 VAL A 30 -4.124 5.833 3.763 1.00 0.00 H +ATOM 417 HG23 VAL A 30 -2.668 4.910 3.320 1.00 0.00 H +ATOM 418 N LYS A 31 -5.128 7.990 3.491 1.00 0.00 N +ATOM 419 CA LYS A 31 -6.576 7.868 3.471 1.00 0.00 C +ATOM 420 C LYS A 31 -6.967 6.607 2.699 1.00 0.00 C +ATOM 421 O LYS A 31 -6.312 6.244 1.723 1.00 0.00 O +ATOM 422 CB LYS A 31 -7.213 9.147 2.923 1.00 0.00 C +ATOM 423 CG LYS A 31 -7.224 10.252 3.981 1.00 0.00 C +ATOM 424 CD LYS A 31 -6.433 11.473 3.508 1.00 0.00 C +ATOM 425 CE LYS A 31 -7.299 12.380 2.631 1.00 0.00 C +ATOM 426 NZ LYS A 31 -7.090 13.800 2.992 1.00 0.00 N +ATOM 427 H LYS A 31 -4.696 8.045 2.590 1.00 0.00 H +ATOM 428 HA LYS A 31 -6.908 7.759 4.503 1.00 0.00 H +ATOM 429 HB2 LYS A 31 -6.663 9.485 2.045 1.00 0.00 H +ATOM 430 HB3 LYS A 31 -8.233 8.939 2.599 1.00 0.00 H +ATOM 431 HG2 LYS A 31 -8.252 10.542 4.199 1.00 0.00 H +ATOM 432 HG3 LYS A 31 -6.796 9.874 4.910 1.00 0.00 H +ATOM 433 HD2 LYS A 31 -6.070 12.032 4.370 1.00 0.00 H +ATOM 434 HD3 LYS A 31 -5.557 11.147 2.946 1.00 0.00 H +ATOM 435 HE2 LYS A 31 -7.051 12.225 1.581 1.00 0.00 H +ATOM 436 HE3 LYS A 31 -8.350 12.118 2.753 1.00 0.00 H +ATOM 437 HZ1 LYS A 31 -6.205 14.107 2.643 1.00 0.00 H +ATOM 438 HZ2 LYS A 31 -7.818 14.357 2.590 1.00 0.00 H +ATOM 439 HZ3 LYS A 31 -7.108 13.898 3.987 1.00 0.00 H +ATOM 440 N TYR A 32 -8.032 5.972 3.166 1.00 0.00 N +ATOM 441 CA TYR A 32 -8.518 4.759 2.532 1.00 0.00 C +ATOM 442 C TYR A 32 -9.663 5.066 1.564 1.00 0.00 C +ATOM 443 O TYR A 32 -10.784 5.339 1.990 1.00 0.00 O +ATOM 444 CB TYR A 32 -9.047 3.874 3.663 1.00 0.00 C +ATOM 445 CG TYR A 32 -9.526 2.496 3.204 1.00 0.00 C +ATOM 446 CD1 TYR A 32 -9.006 1.932 2.057 1.00 0.00 C +ATOM 447 CD2 TYR A 32 -10.479 1.817 3.936 1.00 0.00 C +ATOM 448 CE1 TYR A 32 -9.457 0.634 1.625 1.00 0.00 C +ATOM 449 CE2 TYR A 32 -10.930 0.520 3.503 1.00 0.00 C +ATOM 450 CZ TYR A 32 -10.397 -0.007 2.369 1.00 0.00 C +ATOM 451 OH TYR A 32 -10.823 -1.233 1.960 1.00 0.00 O +ATOM 452 H TYR A 32 -8.559 6.274 3.961 1.00 0.00 H +ATOM 453 HA TYR A 32 -7.692 4.315 1.977 1.00 0.00 H +ATOM 454 HB2 TYR A 32 -8.260 3.745 4.407 1.00 0.00 H +ATOM 455 HB3 TYR A 32 -9.871 4.388 4.158 1.00 0.00 H +ATOM 456 HD1 TYR A 32 -8.253 2.468 1.479 1.00 0.00 H +ATOM 457 HD2 TYR A 32 -10.890 2.263 4.842 1.00 0.00 H +ATOM 458 HE1 TYR A 32 -9.054 0.177 0.721 1.00 0.00 H +ATOM 459 HE2 TYR A 32 -11.682 -0.027 4.072 1.00 0.00 H +ATOM 460 HH TYR A 32 -10.949 -1.832 2.751 1.00 0.00 H +ATOM 461 N LEU A 33 -9.340 5.012 0.280 1.00 0.00 N +ATOM 462 CA LEU A 33 -10.327 5.282 -0.751 1.00 0.00 C +ATOM 463 C LEU A 33 -11.290 4.098 -0.851 1.00 0.00 C +ATOM 464 O LEU A 33 -12.507 4.279 -0.828 1.00 0.00 O +ATOM 465 CB LEU A 33 -9.639 5.627 -2.074 1.00 0.00 C +ATOM 466 CG LEU A 33 -8.746 6.870 -2.061 1.00 0.00 C +ATOM 467 CD1 LEU A 33 -7.782 6.865 -3.249 1.00 0.00 C +ATOM 468 CD2 LEU A 33 -9.586 8.148 -2.009 1.00 0.00 C +ATOM 469 H LEU A 33 -8.425 4.790 -0.057 1.00 0.00 H +ATOM 470 HA LEU A 33 -10.891 6.161 -0.442 1.00 0.00 H +ATOM 471 HB2 LEU A 33 -9.035 4.773 -2.380 1.00 0.00 H +ATOM 472 HB3 LEU A 33 -10.407 5.764 -2.835 1.00 0.00 H +ATOM 473 HG LEU A 33 -8.141 6.846 -1.155 1.00 0.00 H +ATOM 474 HD11 LEU A 33 -7.175 7.770 -3.228 1.00 0.00 H +ATOM 475 HD12 LEU A 33 -7.134 5.991 -3.187 1.00 0.00 H +ATOM 476 HD13 LEU A 33 -8.351 6.830 -4.178 1.00 0.00 H +ATOM 477 HD21 LEU A 33 -9.049 8.956 -2.505 1.00 0.00 H +ATOM 478 HD22 LEU A 33 -10.536 7.979 -2.516 1.00 0.00 H +ATOM 479 HD23 LEU A 33 -9.772 8.419 -0.970 1.00 0.00 H +ATOM 480 N GLY A 34 -10.711 2.911 -0.959 1.00 0.00 N +ATOM 481 CA GLY A 34 -11.503 1.698 -1.062 1.00 0.00 C +ATOM 482 C GLY A 34 -10.864 0.707 -2.037 1.00 0.00 C +ATOM 483 O GLY A 34 -9.712 0.875 -2.433 1.00 0.00 O +ATOM 484 H GLY A 34 -9.721 2.772 -0.977 1.00 0.00 H +ATOM 485 HA2 GLY A 34 -11.598 1.236 -0.079 1.00 0.00 H +ATOM 486 HA3 GLY A 34 -12.511 1.944 -1.397 1.00 0.00 H +ATOM 487 N HIS A 35 -11.640 -0.305 -2.396 1.00 0.00 N +ATOM 488 CA HIS A 35 -11.165 -1.323 -3.317 1.00 0.00 C +ATOM 489 C HIS A 35 -12.061 -1.353 -4.557 1.00 0.00 C +ATOM 490 O HIS A 35 -13.285 -1.329 -4.443 1.00 0.00 O +ATOM 491 CB HIS A 35 -11.069 -2.683 -2.622 1.00 0.00 C +ATOM 492 CG HIS A 35 -12.201 -2.963 -1.662 1.00 0.00 C +ATOM 493 ND1 HIS A 35 -12.000 -3.502 -0.403 1.00 0.00 N +ATOM 494 CD2 HIS A 35 -13.545 -2.772 -1.789 1.00 0.00 C +ATOM 495 CE1 HIS A 35 -13.178 -3.626 0.192 1.00 0.00 C +ATOM 496 NE2 HIS A 35 -14.134 -3.174 -0.669 1.00 0.00 N +ATOM 497 H HIS A 35 -12.576 -0.435 -2.069 1.00 0.00 H +ATOM 498 HA HIS A 35 -10.158 -1.031 -3.614 1.00 0.00 H +ATOM 499 HB2 HIS A 35 -11.047 -3.466 -3.379 1.00 0.00 H +ATOM 500 HB3 HIS A 35 -10.125 -2.737 -2.080 1.00 0.00 H +ATOM 501 HD1 HIS A 35 -11.116 -3.754 -0.009 1.00 0.00 H +ATOM 502 HD2 HIS A 35 -14.050 -2.360 -2.663 1.00 0.00 H +ATOM 503 HE1 HIS A 35 -13.351 -4.020 1.193 1.00 0.00 H +ATOM 504 N VAL A 36 -11.415 -1.405 -5.713 1.00 0.00 N +ATOM 505 CA VAL A 36 -12.138 -1.438 -6.972 1.00 0.00 C +ATOM 506 C VAL A 36 -11.759 -2.706 -7.740 1.00 0.00 C +ATOM 507 O VAL A 36 -10.752 -3.343 -7.435 1.00 0.00 O +ATOM 508 CB VAL A 36 -11.869 -0.157 -7.764 1.00 0.00 C +ATOM 509 CG1 VAL A 36 -12.217 1.082 -6.937 1.00 0.00 C +ATOM 510 CG2 VAL A 36 -10.418 -0.105 -8.246 1.00 0.00 C +ATOM 511 H VAL A 36 -10.419 -1.425 -5.797 1.00 0.00 H +ATOM 512 HA VAL A 36 -13.203 -1.474 -6.740 1.00 0.00 H +ATOM 513 HB VAL A 36 -12.514 -0.165 -8.643 1.00 0.00 H +ATOM 514 HG11 VAL A 36 -11.299 1.585 -6.632 1.00 0.00 H +ATOM 515 HG12 VAL A 36 -12.821 1.762 -7.537 1.00 0.00 H +ATOM 516 HG13 VAL A 36 -12.779 0.782 -6.052 1.00 0.00 H +ATOM 517 HG21 VAL A 36 -10.090 -1.108 -8.520 1.00 0.00 H +ATOM 518 HG22 VAL A 36 -10.347 0.550 -9.114 1.00 0.00 H +ATOM 519 HG23 VAL A 36 -9.783 0.280 -7.447 1.00 0.00 H +ATOM 520 N GLU A 37 -12.586 -3.035 -8.721 1.00 0.00 N +ATOM 521 CA GLU A 37 -12.350 -4.216 -9.535 1.00 0.00 C +ATOM 522 C GLU A 37 -11.481 -3.862 -10.743 1.00 0.00 C +ATOM 523 O GLU A 37 -11.456 -2.713 -11.180 1.00 0.00 O +ATOM 524 CB GLU A 37 -13.670 -4.851 -9.976 1.00 0.00 C +ATOM 525 CG GLU A 37 -14.002 -6.076 -9.123 1.00 0.00 C +ATOM 526 CD GLU A 37 -15.012 -5.725 -8.028 1.00 0.00 C +ATOM 527 OE1 GLU A 37 -15.720 -4.712 -8.214 1.00 0.00 O +ATOM 528 OE2 GLU A 37 -15.053 -6.478 -7.031 1.00 0.00 O +ATOM 529 H GLU A 37 -13.404 -2.512 -8.963 1.00 0.00 H +ATOM 530 HA GLU A 37 -11.818 -4.912 -8.887 1.00 0.00 H +ATOM 531 HB2 GLU A 37 -14.474 -4.119 -9.897 1.00 0.00 H +ATOM 532 HB3 GLU A 37 -13.606 -5.140 -11.025 1.00 0.00 H +ATOM 533 HG2 GLU A 37 -14.406 -6.866 -9.756 1.00 0.00 H +ATOM 534 HG3 GLU A 37 -13.090 -6.466 -8.669 1.00 0.00 H +ATOM 535 N VAL A 38 -10.788 -4.872 -11.250 1.00 0.00 N +ATOM 536 CA VAL A 38 -9.920 -4.683 -12.399 1.00 0.00 C +ATOM 537 C VAL A 38 -10.278 -5.707 -13.478 1.00 0.00 C +ATOM 538 O VAL A 38 -11.275 -6.418 -13.358 1.00 0.00 O +ATOM 539 CB VAL A 38 -8.454 -4.759 -11.965 1.00 0.00 C +ATOM 540 CG1 VAL A 38 -8.159 -3.751 -10.853 1.00 0.00 C +ATOM 541 CG2 VAL A 38 -8.084 -6.178 -11.532 1.00 0.00 C +ATOM 542 H VAL A 38 -10.814 -5.805 -10.889 1.00 0.00 H +ATOM 543 HA VAL A 38 -10.105 -3.682 -12.790 1.00 0.00 H +ATOM 544 HB VAL A 38 -7.837 -4.499 -12.825 1.00 0.00 H +ATOM 545 HG11 VAL A 38 -7.114 -3.446 -10.907 1.00 0.00 H +ATOM 546 HG12 VAL A 38 -8.799 -2.877 -10.975 1.00 0.00 H +ATOM 547 HG13 VAL A 38 -8.353 -4.211 -9.884 1.00 0.00 H +ATOM 548 HG21 VAL A 38 -8.054 -6.829 -12.406 1.00 0.00 H +ATOM 549 HG22 VAL A 38 -7.104 -6.168 -11.053 1.00 0.00 H +ATOM 550 HG23 VAL A 38 -8.828 -6.549 -10.828 1.00 0.00 H +ATOM 551 N ASP A 39 -9.445 -5.750 -14.508 1.00 0.00 N +ATOM 552 CA ASP A 39 -9.662 -6.675 -15.607 1.00 0.00 C +ATOM 553 C ASP A 39 -8.332 -7.331 -15.984 1.00 0.00 C +ATOM 554 O ASP A 39 -8.258 -8.549 -16.137 1.00 0.00 O +ATOM 555 CB ASP A 39 -10.198 -5.948 -16.842 1.00 0.00 C +ATOM 556 CG ASP A 39 -11.193 -6.749 -17.683 1.00 0.00 C +ATOM 557 OD1 ASP A 39 -10.720 -7.467 -18.590 1.00 0.00 O +ATOM 558 OD2 ASP A 39 -12.404 -6.626 -17.400 1.00 0.00 O +ATOM 559 H ASP A 39 -8.637 -5.168 -14.598 1.00 0.00 H +ATOM 560 HA ASP A 39 -10.391 -7.395 -15.236 1.00 0.00 H +ATOM 561 HB2 ASP A 39 -10.678 -5.023 -16.520 1.00 0.00 H +ATOM 562 HB3 ASP A 39 -9.355 -5.666 -17.473 1.00 0.00 H +ATOM 563 N GLU A 40 -7.314 -6.494 -16.124 1.00 0.00 N +ATOM 564 CA GLU A 40 -5.992 -6.978 -16.481 1.00 0.00 C +ATOM 565 C GLU A 40 -5.280 -7.537 -15.248 1.00 0.00 C +ATOM 566 O GLU A 40 -4.683 -8.611 -15.305 1.00 0.00 O +ATOM 567 CB GLU A 40 -5.162 -5.872 -17.138 1.00 0.00 C +ATOM 568 CG GLU A 40 -5.971 -5.146 -18.214 1.00 0.00 C +ATOM 569 CD GLU A 40 -5.871 -5.871 -19.558 1.00 0.00 C +ATOM 570 OE1 GLU A 40 -4.722 -6.107 -19.991 1.00 0.00 O +ATOM 571 OE2 GLU A 40 -6.945 -6.173 -20.122 1.00 0.00 O +ATOM 572 H GLU A 40 -7.383 -5.505 -15.998 1.00 0.00 H +ATOM 573 HA GLU A 40 -6.160 -7.775 -17.205 1.00 0.00 H +ATOM 574 HB2 GLU A 40 -4.836 -5.159 -16.381 1.00 0.00 H +ATOM 575 HB3 GLU A 40 -4.264 -6.301 -17.581 1.00 0.00 H +ATOM 576 HG2 GLU A 40 -7.016 -5.083 -17.909 1.00 0.00 H +ATOM 577 HG3 GLU A 40 -5.608 -4.124 -18.320 1.00 0.00 H +ATOM 578 N SER A 41 -5.368 -6.784 -14.161 1.00 0.00 N +ATOM 579 CA SER A 41 -4.740 -7.192 -12.915 1.00 0.00 C +ATOM 580 C SER A 41 -3.272 -6.760 -12.904 1.00 0.00 C +ATOM 581 O SER A 41 -2.541 -7.058 -11.960 1.00 0.00 O +ATOM 582 CB SER A 41 -4.850 -8.704 -12.712 1.00 0.00 C +ATOM 583 OG SER A 41 -4.829 -9.060 -11.332 1.00 0.00 O +ATOM 584 H SER A 41 -5.856 -5.912 -14.123 1.00 0.00 H +ATOM 585 HA SER A 41 -5.296 -6.678 -12.131 1.00 0.00 H +ATOM 586 HB2 SER A 41 -5.774 -9.064 -13.165 1.00 0.00 H +ATOM 587 HB3 SER A 41 -4.028 -9.200 -13.227 1.00 0.00 H +ATOM 588 HG SER A 41 -3.916 -8.910 -10.954 1.00 0.00 H +ATOM 589 N ARG A 42 -2.884 -6.066 -13.964 1.00 0.00 N +ATOM 590 CA ARG A 42 -1.517 -5.591 -14.087 1.00 0.00 C +ATOM 591 C ARG A 42 -1.438 -4.460 -15.116 1.00 0.00 C +ATOM 592 O ARG A 42 -1.766 -4.657 -16.285 1.00 0.00 O +ATOM 593 CB ARG A 42 -0.577 -6.721 -14.510 1.00 0.00 C +ATOM 594 CG ARG A 42 -0.976 -7.285 -15.874 1.00 0.00 C +ATOM 595 CD ARG A 42 -0.102 -6.701 -16.986 1.00 0.00 C +ATOM 596 NE ARG A 42 0.755 -7.759 -17.565 1.00 0.00 N +ATOM 597 CZ ARG A 42 1.721 -7.535 -18.466 1.00 0.00 C +ATOM 598 NH1 ARG A 42 1.959 -6.288 -18.896 1.00 0.00 N +ATOM 599 NH2 ARG A 42 2.450 -8.556 -18.936 1.00 0.00 N +ATOM 600 H ARG A 42 -3.485 -5.828 -14.727 1.00 0.00 H +ATOM 601 HA ARG A 42 -1.255 -5.233 -13.091 1.00 0.00 H +ATOM 602 HB2 ARG A 42 0.448 -6.351 -14.551 1.00 0.00 H +ATOM 603 HB3 ARG A 42 -0.599 -7.515 -13.763 1.00 0.00 H +ATOM 604 HG2 ARG A 42 -0.881 -8.371 -15.865 1.00 0.00 H +ATOM 605 HG3 ARG A 42 -2.024 -7.059 -16.073 1.00 0.00 H +ATOM 606 HD2 ARG A 42 -0.731 -6.265 -17.763 1.00 0.00 H +ATOM 607 HD3 ARG A 42 0.517 -5.897 -16.589 1.00 0.00 H +ATOM 608 HE ARG A 42 0.604 -8.701 -17.266 1.00 0.00 H +ATOM 609 HH11 ARG A 42 1.416 -5.526 -18.545 1.00 0.00 H +ATOM 610 HH12 ARG A 42 2.680 -6.120 -19.569 1.00 0.00 H +ATOM 611 HH21 ARG A 42 2.272 -9.486 -18.615 1.00 0.00 H +ATOM 612 HH22 ARG A 42 3.171 -8.388 -19.609 1.00 0.00 H +ATOM 613 N GLY A 43 -1.002 -3.302 -14.643 1.00 0.00 N +ATOM 614 CA GLY A 43 -0.876 -2.141 -15.507 1.00 0.00 C +ATOM 615 C GLY A 43 -0.734 -0.858 -14.684 1.00 0.00 C +ATOM 616 O GLY A 43 -1.635 -0.499 -13.928 1.00 0.00 O +ATOM 617 H GLY A 43 -0.737 -3.151 -13.690 1.00 0.00 H +ATOM 618 HA2 GLY A 43 -0.009 -2.258 -16.156 1.00 0.00 H +ATOM 619 HA3 GLY A 43 -1.751 -2.068 -16.153 1.00 0.00 H +ATOM 620 N MET A 44 0.404 -0.204 -14.860 1.00 0.00 N +ATOM 621 CA MET A 44 0.676 1.031 -14.143 1.00 0.00 C +ATOM 622 C MET A 44 -0.435 2.056 -14.378 1.00 0.00 C +ATOM 623 O MET A 44 -0.641 2.952 -13.560 1.00 0.00 O +ATOM 624 CB MET A 44 2.012 1.609 -14.612 1.00 0.00 C +ATOM 625 CG MET A 44 3.158 0.633 -14.338 1.00 0.00 C +ATOM 626 SD MET A 44 4.292 0.621 -15.717 1.00 0.00 S +ATOM 627 CE MET A 44 3.579 -0.694 -16.692 1.00 0.00 C +ATOM 628 H MET A 44 1.132 -0.503 -15.477 1.00 0.00 H +ATOM 629 HA MET A 44 0.710 0.756 -13.089 1.00 0.00 H +ATOM 630 HB2 MET A 44 1.964 1.829 -15.678 1.00 0.00 H +ATOM 631 HB3 MET A 44 2.203 2.553 -14.100 1.00 0.00 H +ATOM 632 HG2 MET A 44 3.684 0.922 -13.427 1.00 0.00 H +ATOM 633 HG3 MET A 44 2.762 -0.369 -14.173 1.00 0.00 H +ATOM 634 HE1 MET A 44 3.547 -1.609 -16.100 1.00 0.00 H +ATOM 635 HE2 MET A 44 2.567 -0.418 -16.989 1.00 0.00 H +ATOM 636 HE3 MET A 44 4.187 -0.857 -17.581 1.00 0.00 H +ATOM 637 N HIS A 45 -1.122 1.892 -15.499 1.00 0.00 N +ATOM 638 CA HIS A 45 -2.206 2.792 -15.851 1.00 0.00 C +ATOM 639 C HIS A 45 -3.505 2.309 -15.203 1.00 0.00 C +ATOM 640 O HIS A 45 -4.475 3.061 -15.114 1.00 0.00 O +ATOM 641 CB HIS A 45 -2.320 2.937 -17.370 1.00 0.00 C +ATOM 642 CG HIS A 45 -2.676 1.655 -18.085 1.00 0.00 C +ATOM 643 ND1 HIS A 45 -1.724 0.809 -18.625 1.00 0.00 N +ATOM 644 CD2 HIS A 45 -3.888 1.085 -18.341 1.00 0.00 C +ATOM 645 CE1 HIS A 45 -2.346 -0.221 -19.180 1.00 0.00 C +ATOM 646 NE2 HIS A 45 -3.687 -0.048 -19.003 1.00 0.00 N +ATOM 647 H HIS A 45 -0.948 1.161 -16.159 1.00 0.00 H +ATOM 648 HA HIS A 45 -1.947 3.769 -15.443 1.00 0.00 H +ATOM 649 HB2 HIS A 45 -3.075 3.690 -17.597 1.00 0.00 H +ATOM 650 HB3 HIS A 45 -1.373 3.308 -17.761 1.00 0.00 H +ATOM 651 HD1 HIS A 45 -0.734 0.951 -18.601 1.00 0.00 H +ATOM 652 HD2 HIS A 45 -4.857 1.491 -18.051 1.00 0.00 H +ATOM 653 HE1 HIS A 45 -1.870 -1.059 -19.688 1.00 0.00 H +ATOM 654 N ILE A 46 -3.482 1.059 -14.767 1.00 0.00 N +ATOM 655 CA ILE A 46 -4.646 0.467 -14.129 1.00 0.00 C +ATOM 656 C ILE A 46 -4.866 1.126 -12.766 1.00 0.00 C +ATOM 657 O ILE A 46 -5.928 1.690 -12.509 1.00 0.00 O +ATOM 658 CB ILE A 46 -4.503 -1.055 -14.060 1.00 0.00 C +ATOM 659 CG1 ILE A 46 -4.131 -1.633 -15.427 1.00 0.00 C +ATOM 660 CG2 ILE A 46 -5.769 -1.699 -13.491 1.00 0.00 C +ATOM 661 CD1 ILE A 46 -5.371 -1.796 -16.309 1.00 0.00 C +ATOM 662 H ILE A 46 -2.689 0.454 -14.843 1.00 0.00 H +ATOM 663 HA ILE A 46 -5.509 0.682 -14.760 1.00 0.00 H +ATOM 664 HB ILE A 46 -3.687 -1.291 -13.378 1.00 0.00 H +ATOM 665 HG12 ILE A 46 -3.413 -0.977 -15.920 1.00 0.00 H +ATOM 666 HG13 ILE A 46 -3.644 -2.599 -15.297 1.00 0.00 H +ATOM 667 HG21 ILE A 46 -6.571 -0.962 -13.464 1.00 0.00 H +ATOM 668 HG22 ILE A 46 -6.066 -2.536 -14.122 1.00 0.00 H +ATOM 669 HG23 ILE A 46 -5.571 -2.058 -12.481 1.00 0.00 H +ATOM 670 HD11 ILE A 46 -5.143 -1.460 -17.321 1.00 0.00 H +ATOM 671 HD12 ILE A 46 -5.665 -2.845 -16.332 1.00 0.00 H +ATOM 672 HD13 ILE A 46 -6.187 -1.199 -15.903 1.00 0.00 H +ATOM 673 N CYS A 47 -3.844 1.033 -11.928 1.00 0.00 N +ATOM 674 CA CYS A 47 -3.912 1.613 -10.597 1.00 0.00 C +ATOM 675 C CYS A 47 -4.598 2.976 -10.702 1.00 0.00 C +ATOM 676 O CYS A 47 -5.560 3.248 -9.985 1.00 0.00 O +ATOM 677 CB CYS A 47 -2.527 1.719 -9.955 1.00 0.00 C +ATOM 678 SG CYS A 47 -1.767 0.059 -9.828 1.00 0.00 S +ATOM 679 H CYS A 47 -2.983 0.572 -12.144 1.00 0.00 H +ATOM 680 HA CYS A 47 -4.502 0.929 -9.987 1.00 0.00 H +ATOM 681 HB2 CYS A 47 -1.891 2.375 -10.549 1.00 0.00 H +ATOM 682 HB3 CYS A 47 -2.610 2.167 -8.964 1.00 0.00 H +ATOM 683 HG CYS A 47 -1.384 0.178 -8.560 1.00 0.00 H +ATOM 684 N GLU A 48 -4.077 3.798 -11.602 1.00 0.00 N +ATOM 685 CA GLU A 48 -4.628 5.126 -11.810 1.00 0.00 C +ATOM 686 C GLU A 48 -6.118 5.037 -12.144 1.00 0.00 C +ATOM 687 O GLU A 48 -6.932 5.753 -11.563 1.00 0.00 O +ATOM 688 CB GLU A 48 -3.864 5.871 -12.907 1.00 0.00 C +ATOM 689 CG GLU A 48 -2.714 6.689 -12.315 1.00 0.00 C +ATOM 690 CD GLU A 48 -1.486 5.811 -12.068 1.00 0.00 C +ATOM 691 OE1 GLU A 48 -1.470 5.142 -11.012 1.00 0.00 O +ATOM 692 OE2 GLU A 48 -0.591 5.827 -12.940 1.00 0.00 O +ATOM 693 H GLU A 48 -3.295 3.569 -12.181 1.00 0.00 H +ATOM 694 HA GLU A 48 -4.491 5.648 -10.863 1.00 0.00 H +ATOM 695 HB2 GLU A 48 -3.472 5.157 -13.631 1.00 0.00 H +ATOM 696 HB3 GLU A 48 -4.544 6.530 -13.446 1.00 0.00 H +ATOM 697 HG2 GLU A 48 -2.454 7.501 -12.995 1.00 0.00 H +ATOM 698 HG3 GLU A 48 -3.033 7.147 -11.379 1.00 0.00 H +ATOM 699 N ASP A 49 -6.430 4.151 -13.078 1.00 0.00 N +ATOM 700 CA ASP A 49 -7.809 3.959 -13.496 1.00 0.00 C +ATOM 701 C ASP A 49 -8.668 3.634 -12.272 1.00 0.00 C +ATOM 702 O ASP A 49 -9.867 3.905 -12.262 1.00 0.00 O +ATOM 703 CB ASP A 49 -7.928 2.793 -14.480 1.00 0.00 C +ATOM 704 CG ASP A 49 -8.540 3.151 -15.836 1.00 0.00 C +ATOM 705 OD1 ASP A 49 -8.315 4.300 -16.274 1.00 0.00 O +ATOM 706 OD2 ASP A 49 -9.220 2.268 -16.403 1.00 0.00 O +ATOM 707 H ASP A 49 -5.762 3.572 -13.545 1.00 0.00 H +ATOM 708 HA ASP A 49 -8.097 4.896 -13.972 1.00 0.00 H +ATOM 709 HB2 ASP A 49 -6.936 2.374 -14.646 1.00 0.00 H +ATOM 710 HB3 ASP A 49 -8.532 2.010 -14.021 1.00 0.00 H +ATOM 711 N ALA A 50 -8.020 3.059 -11.270 1.00 0.00 N +ATOM 712 CA ALA A 50 -8.710 2.694 -10.044 1.00 0.00 C +ATOM 713 C ALA A 50 -9.177 3.964 -9.330 1.00 0.00 C +ATOM 714 O ALA A 50 -10.376 4.181 -9.162 1.00 0.00 O +ATOM 715 CB ALA A 50 -7.786 1.842 -9.172 1.00 0.00 C +ATOM 716 H ALA A 50 -7.044 2.841 -11.286 1.00 0.00 H +ATOM 717 HA ALA A 50 -9.581 2.100 -10.318 1.00 0.00 H +ATOM 718 HB1 ALA A 50 -7.328 2.469 -8.407 1.00 0.00 H +ATOM 719 HB2 ALA A 50 -8.364 1.051 -8.695 1.00 0.00 H +ATOM 720 HB3 ALA A 50 -7.007 1.399 -9.793 1.00 0.00 H +ATOM 721 N VAL A 51 -8.205 4.772 -8.930 1.00 0.00 N +ATOM 722 CA VAL A 51 -8.502 6.014 -8.239 1.00 0.00 C +ATOM 723 C VAL A 51 -9.666 6.718 -8.939 1.00 0.00 C +ATOM 724 O VAL A 51 -10.710 6.953 -8.332 1.00 0.00 O +ATOM 725 CB VAL A 51 -7.243 6.880 -8.156 1.00 0.00 C +ATOM 726 CG1 VAL A 51 -7.466 8.085 -7.238 1.00 0.00 C +ATOM 727 CG2 VAL A 51 -6.040 6.056 -7.695 1.00 0.00 C +ATOM 728 H VAL A 51 -7.232 4.588 -9.072 1.00 0.00 H +ATOM 729 HA VAL A 51 -8.805 5.761 -7.223 1.00 0.00 H +ATOM 730 HB VAL A 51 -7.029 7.257 -9.156 1.00 0.00 H +ATOM 731 HG11 VAL A 51 -7.106 7.850 -6.237 1.00 0.00 H +ATOM 732 HG12 VAL A 51 -6.921 8.944 -7.628 1.00 0.00 H +ATOM 733 HG13 VAL A 51 -8.530 8.318 -7.196 1.00 0.00 H +ATOM 734 HG21 VAL A 51 -5.542 5.624 -8.564 1.00 0.00 H +ATOM 735 HG22 VAL A 51 -5.342 6.699 -7.159 1.00 0.00 H +ATOM 736 HG23 VAL A 51 -6.378 5.256 -7.036 1.00 0.00 H +ATOM 737 N LYS A 52 -9.448 7.034 -10.207 1.00 0.00 N +ATOM 738 CA LYS A 52 -10.466 7.705 -10.997 1.00 0.00 C +ATOM 739 C LYS A 52 -11.823 7.047 -10.738 1.00 0.00 C +ATOM 740 O LYS A 52 -12.816 7.735 -10.507 1.00 0.00 O +ATOM 741 CB LYS A 52 -10.068 7.732 -12.474 1.00 0.00 C +ATOM 742 CG LYS A 52 -8.897 8.689 -12.709 1.00 0.00 C +ATOM 743 CD LYS A 52 -7.639 7.925 -13.126 1.00 0.00 C +ATOM 744 CE LYS A 52 -7.047 8.504 -14.412 1.00 0.00 C +ATOM 745 NZ LYS A 52 -7.835 8.067 -15.587 1.00 0.00 N +ATOM 746 H LYS A 52 -8.596 6.839 -10.694 1.00 0.00 H +ATOM 747 HA LYS A 52 -10.514 8.740 -10.657 1.00 0.00 H +ATOM 748 HB2 LYS A 52 -9.792 6.729 -12.799 1.00 0.00 H +ATOM 749 HB3 LYS A 52 -10.920 8.040 -13.079 1.00 0.00 H +ATOM 750 HG2 LYS A 52 -9.162 9.410 -13.482 1.00 0.00 H +ATOM 751 HG3 LYS A 52 -8.698 9.256 -11.799 1.00 0.00 H +ATOM 752 HD2 LYS A 52 -6.899 7.973 -12.327 1.00 0.00 H +ATOM 753 HD3 LYS A 52 -7.881 6.872 -13.273 1.00 0.00 H +ATOM 754 HE2 LYS A 52 -7.037 9.592 -14.358 1.00 0.00 H +ATOM 755 HE3 LYS A 52 -6.012 8.180 -14.521 1.00 0.00 H +ATOM 756 HZ1 LYS A 52 -8.063 8.862 -16.149 1.00 0.00 H +ATOM 757 HZ2 LYS A 52 -7.297 7.420 -16.127 1.00 0.00 H +ATOM 758 HZ3 LYS A 52 -8.677 7.625 -15.278 1.00 0.00 H +ATOM 759 N ARG A 53 -11.821 5.723 -10.786 1.00 0.00 N +ATOM 760 CA ARG A 53 -13.039 4.964 -10.560 1.00 0.00 C +ATOM 761 C ARG A 53 -13.717 5.422 -9.266 1.00 0.00 C +ATOM 762 O ARG A 53 -14.890 5.792 -9.273 1.00 0.00 O +ATOM 763 CB ARG A 53 -12.746 3.465 -10.471 1.00 0.00 C +ATOM 764 CG ARG A 53 -13.806 2.654 -11.219 1.00 0.00 C +ATOM 765 CD ARG A 53 -13.578 1.153 -11.036 1.00 0.00 C +ATOM 766 NE ARG A 53 -13.884 0.437 -12.295 1.00 0.00 N +ATOM 767 CZ ARG A 53 -15.125 0.187 -12.734 1.00 0.00 C +ATOM 768 NH1 ARG A 53 -16.183 0.593 -12.020 1.00 0.00 N +ATOM 769 NH2 ARG A 53 -15.308 -0.469 -13.888 1.00 0.00 N +ATOM 770 H ARG A 53 -11.009 5.171 -10.975 1.00 0.00 H +ATOM 771 HA ARG A 53 -13.665 5.177 -11.427 1.00 0.00 H +ATOM 772 HB2 ARG A 53 -11.762 3.258 -10.890 1.00 0.00 H +ATOM 773 HB3 ARG A 53 -12.719 3.158 -9.426 1.00 0.00 H +ATOM 774 HG2 ARG A 53 -14.798 2.922 -10.856 1.00 0.00 H +ATOM 775 HG3 ARG A 53 -13.778 2.903 -12.280 1.00 0.00 H +ATOM 776 HD2 ARG A 53 -12.544 0.966 -10.745 1.00 0.00 H +ATOM 777 HD3 ARG A 53 -14.209 0.776 -10.231 1.00 0.00 H +ATOM 778 HE ARG A 53 -13.117 0.120 -12.853 1.00 0.00 H +ATOM 779 HH11 ARG A 53 -16.047 1.082 -11.158 1.00 0.00 H +ATOM 780 HH12 ARG A 53 -17.109 0.406 -12.347 1.00 0.00 H +ATOM 781 HH21 ARG A 53 -14.518 -0.772 -14.422 1.00 0.00 H +ATOM 782 HH22 ARG A 53 -16.234 -0.656 -14.216 1.00 0.00 H +ATOM 783 N LEU A 54 -12.949 5.382 -8.187 1.00 0.00 N +ATOM 784 CA LEU A 54 -13.461 5.787 -6.889 1.00 0.00 C +ATOM 785 C LEU A 54 -13.765 7.287 -6.912 1.00 0.00 C +ATOM 786 O LEU A 54 -14.587 7.769 -6.134 1.00 0.00 O +ATOM 787 CB LEU A 54 -12.494 5.373 -5.779 1.00 0.00 C +ATOM 788 CG LEU A 54 -12.077 3.900 -5.768 1.00 0.00 C +ATOM 789 CD1 LEU A 54 -10.693 3.727 -5.138 1.00 0.00 C +ATOM 790 CD2 LEU A 54 -13.133 3.037 -5.076 1.00 0.00 C +ATOM 791 H LEU A 54 -11.996 5.079 -8.190 1.00 0.00 H +ATOM 792 HA LEU A 54 -14.393 5.248 -6.723 1.00 0.00 H +ATOM 793 HB2 LEU A 54 -11.595 5.984 -5.860 1.00 0.00 H +ATOM 794 HB3 LEU A 54 -12.952 5.607 -4.818 1.00 0.00 H +ATOM 795 HG LEU A 54 -12.006 3.558 -6.800 1.00 0.00 H +ATOM 796 HD11 LEU A 54 -10.655 2.780 -4.601 1.00 0.00 H +ATOM 797 HD12 LEU A 54 -9.935 3.732 -5.921 1.00 0.00 H +ATOM 798 HD13 LEU A 54 -10.505 4.546 -4.444 1.00 0.00 H +ATOM 799 HD21 LEU A 54 -13.789 2.595 -5.827 1.00 0.00 H +ATOM 800 HD22 LEU A 54 -12.642 2.244 -4.511 1.00 0.00 H +ATOM 801 HD23 LEU A 54 -13.722 3.655 -4.399 1.00 0.00 H +ATOM 802 N LYS A 55 -13.085 7.982 -7.812 1.00 0.00 N +ATOM 803 CA LYS A 55 -13.272 9.417 -7.946 1.00 0.00 C +ATOM 804 C LYS A 55 -14.599 9.690 -8.656 1.00 0.00 C +ATOM 805 O LYS A 55 -15.132 10.796 -8.580 1.00 0.00 O +ATOM 806 CB LYS A 55 -12.063 10.053 -8.635 1.00 0.00 C +ATOM 807 CG LYS A 55 -11.386 11.076 -7.721 1.00 0.00 C +ATOM 808 CD LYS A 55 -9.889 11.175 -8.022 1.00 0.00 C +ATOM 809 CE LYS A 55 -9.063 11.068 -6.739 1.00 0.00 C +ATOM 810 NZ LYS A 55 -8.420 12.364 -6.427 1.00 0.00 N +ATOM 811 H LYS A 55 -12.418 7.583 -8.440 1.00 0.00 H +ATOM 812 HA LYS A 55 -13.326 9.835 -6.940 1.00 0.00 H +ATOM 813 HB2 LYS A 55 -11.348 9.278 -8.912 1.00 0.00 H +ATOM 814 HB3 LYS A 55 -12.380 10.538 -9.558 1.00 0.00 H +ATOM 815 HG2 LYS A 55 -11.853 12.052 -7.854 1.00 0.00 H +ATOM 816 HG3 LYS A 55 -11.533 10.792 -6.679 1.00 0.00 H +ATOM 817 HD2 LYS A 55 -9.600 10.382 -8.712 1.00 0.00 H +ATOM 818 HD3 LYS A 55 -9.676 12.122 -8.518 1.00 0.00 H +ATOM 819 HE2 LYS A 55 -9.704 10.764 -5.911 1.00 0.00 H +ATOM 820 HE3 LYS A 55 -8.302 10.296 -6.853 1.00 0.00 H +ATOM 821 HZ1 LYS A 55 -8.826 12.746 -5.596 1.00 0.00 H +ATOM 822 HZ2 LYS A 55 -7.440 12.224 -6.286 1.00 0.00 H +ATOM 823 HZ3 LYS A 55 -8.561 12.998 -7.188 1.00 0.00 H +ATOM 824 N ALA A 56 -15.094 8.663 -9.331 1.00 0.00 N +ATOM 825 CA ALA A 56 -16.349 8.778 -10.055 1.00 0.00 C +ATOM 826 C ALA A 56 -17.454 8.071 -9.267 1.00 0.00 C +ATOM 827 O ALA A 56 -18.638 8.276 -9.531 1.00 0.00 O +ATOM 828 CB ALA A 56 -16.180 8.207 -11.464 1.00 0.00 C +ATOM 829 H ALA A 56 -14.655 7.767 -9.388 1.00 0.00 H +ATOM 830 HA ALA A 56 -16.591 9.838 -10.132 1.00 0.00 H +ATOM 831 HB1 ALA A 56 -16.965 7.475 -11.656 1.00 0.00 H +ATOM 832 HB2 ALA A 56 -16.249 9.013 -12.194 1.00 0.00 H +ATOM 833 HB3 ALA A 56 -15.206 7.724 -11.546 1.00 0.00 H +ATOM 834 N THR A 57 -17.027 7.252 -8.317 1.00 0.00 N +ATOM 835 CA THR A 57 -17.966 6.513 -7.490 1.00 0.00 C +ATOM 836 C THR A 57 -18.681 7.457 -6.521 1.00 0.00 C +ATOM 837 O THR A 57 -19.718 7.106 -5.959 1.00 0.00 O +ATOM 838 CB THR A 57 -17.196 5.392 -6.788 1.00 0.00 C +ATOM 839 OG1 THR A 57 -18.132 4.319 -6.718 1.00 0.00 O +ATOM 840 CG2 THR A 57 -16.892 5.717 -5.324 1.00 0.00 C +ATOM 841 H THR A 57 -16.063 7.090 -8.109 1.00 0.00 H +ATOM 842 HA THR A 57 -18.729 6.081 -8.137 1.00 0.00 H +ATOM 843 HB THR A 57 -16.283 5.148 -7.331 1.00 0.00 H +ATOM 844 HG1 THR A 57 -17.700 3.514 -6.311 1.00 0.00 H +ATOM 845 HG21 THR A 57 -16.302 4.911 -4.888 1.00 0.00 H +ATOM 846 HG22 THR A 57 -16.330 6.650 -5.269 1.00 0.00 H +ATOM 847 HG23 THR A 57 -17.827 5.823 -4.774 1.00 0.00 H +ATOM 848 N GLY A 58 -18.100 8.636 -6.357 1.00 0.00 N +ATOM 849 CA GLY A 58 -18.669 9.633 -5.466 1.00 0.00 C +ATOM 850 C GLY A 58 -18.746 9.107 -4.031 1.00 0.00 C +ATOM 851 O GLY A 58 -19.835 8.873 -3.509 1.00 0.00 O +ATOM 852 H GLY A 58 -17.257 8.913 -6.818 1.00 0.00 H +ATOM 853 HA2 GLY A 58 -18.063 10.538 -5.493 1.00 0.00 H +ATOM 854 HA3 GLY A 58 -19.666 9.907 -5.811 1.00 0.00 H +ATOM 855 N LYS A 59 -17.575 8.937 -3.434 1.00 0.00 N +ATOM 856 CA LYS A 59 -17.496 8.442 -2.070 1.00 0.00 C +ATOM 857 C LYS A 59 -16.598 9.369 -1.248 1.00 0.00 C +ATOM 858 O LYS A 59 -16.519 10.566 -1.521 1.00 0.00 O +ATOM 859 CB LYS A 59 -17.048 6.980 -2.055 1.00 0.00 C +ATOM 860 CG LYS A 59 -17.891 6.158 -1.078 1.00 0.00 C +ATOM 861 CD LYS A 59 -17.827 4.667 -1.418 1.00 0.00 C +ATOM 862 CE LYS A 59 -16.562 4.027 -0.843 1.00 0.00 C +ATOM 863 NZ LYS A 59 -16.679 2.552 -0.851 1.00 0.00 N +ATOM 864 H LYS A 59 -16.694 9.129 -3.866 1.00 0.00 H +ATOM 865 HA LYS A 59 -18.502 8.476 -1.652 1.00 0.00 H +ATOM 866 HB2 LYS A 59 -17.132 6.559 -3.057 1.00 0.00 H +ATOM 867 HB3 LYS A 59 -15.997 6.921 -1.773 1.00 0.00 H +ATOM 868 HG2 LYS A 59 -17.534 6.318 -0.061 1.00 0.00 H +ATOM 869 HG3 LYS A 59 -18.926 6.498 -1.110 1.00 0.00 H +ATOM 870 HD2 LYS A 59 -18.708 4.162 -1.021 1.00 0.00 H +ATOM 871 HD3 LYS A 59 -17.846 4.537 -2.500 1.00 0.00 H +ATOM 872 HE2 LYS A 59 -15.695 4.333 -1.428 1.00 0.00 H +ATOM 873 HE3 LYS A 59 -16.400 4.380 0.175 1.00 0.00 H +ATOM 874 HZ1 LYS A 59 -16.733 2.227 -1.795 1.00 0.00 H +ATOM 875 HZ2 LYS A 59 -15.877 2.152 -0.406 1.00 0.00 H +ATOM 876 HZ3 LYS A 59 -17.505 2.280 -0.357 1.00 0.00 H +ATOM 877 N LYS A 60 -15.944 8.781 -0.257 1.00 0.00 N +ATOM 878 CA LYS A 60 -15.054 9.539 0.606 1.00 0.00 C +ATOM 879 C LYS A 60 -13.940 8.622 1.114 1.00 0.00 C +ATOM 880 O LYS A 60 -14.019 7.403 0.967 1.00 0.00 O +ATOM 881 CB LYS A 60 -15.846 10.222 1.724 1.00 0.00 C +ATOM 882 CG LYS A 60 -16.708 11.358 1.169 1.00 0.00 C +ATOM 883 CD LYS A 60 -16.922 12.447 2.222 1.00 0.00 C +ATOM 884 CE LYS A 60 -17.728 13.614 1.648 1.00 0.00 C +ATOM 885 NZ LYS A 60 -17.227 14.901 2.180 1.00 0.00 N +ATOM 886 H LYS A 60 -16.014 7.807 -0.042 1.00 0.00 H +ATOM 887 HA LYS A 60 -14.605 10.327 0.002 1.00 0.00 H +ATOM 888 HB2 LYS A 60 -16.480 9.490 2.225 1.00 0.00 H +ATOM 889 HB3 LYS A 60 -15.159 10.614 2.473 1.00 0.00 H +ATOM 890 HG2 LYS A 60 -16.228 11.787 0.289 1.00 0.00 H +ATOM 891 HG3 LYS A 60 -17.672 10.964 0.847 1.00 0.00 H +ATOM 892 HD2 LYS A 60 -17.444 12.029 3.083 1.00 0.00 H +ATOM 893 HD3 LYS A 60 -15.957 12.807 2.579 1.00 0.00 H +ATOM 894 HE2 LYS A 60 -17.658 13.612 0.560 1.00 0.00 H +ATOM 895 HE3 LYS A 60 -18.782 13.495 1.899 1.00 0.00 H +ATOM 896 HZ1 LYS A 60 -18.001 15.500 2.387 1.00 0.00 H +ATOM 897 HZ2 LYS A 60 -16.702 14.735 3.014 1.00 0.00 H +ATOM 898 HZ3 LYS A 60 -16.640 15.338 1.498 1.00 0.00 H +ATOM 899 N ALA A 61 -12.928 9.243 1.701 1.00 0.00 N +ATOM 900 CA ALA A 61 -11.799 8.498 2.232 1.00 0.00 C +ATOM 901 C ALA A 61 -11.889 8.461 3.758 1.00 0.00 C +ATOM 902 O ALA A 61 -12.652 9.218 4.357 1.00 0.00 O +ATOM 903 CB ALA A 61 -10.494 9.129 1.740 1.00 0.00 C +ATOM 904 H ALA A 61 -12.871 10.235 1.817 1.00 0.00 H +ATOM 905 HA ALA A 61 -11.863 7.480 1.847 1.00 0.00 H +ATOM 906 HB1 ALA A 61 -9.783 8.343 1.488 1.00 0.00 H +ATOM 907 HB2 ALA A 61 -10.694 9.736 0.857 1.00 0.00 H +ATOM 908 HB3 ALA A 61 -10.077 9.759 2.526 1.00 0.00 H +ATOM 909 N VAL A 62 -11.101 7.573 4.345 1.00 0.00 N +ATOM 910 CA VAL A 62 -11.083 7.427 5.791 1.00 0.00 C +ATOM 911 C VAL A 62 -9.700 7.814 6.321 1.00 0.00 C +ATOM 912 O VAL A 62 -8.683 7.471 5.719 1.00 0.00 O +ATOM 913 CB VAL A 62 -11.496 6.006 6.178 1.00 0.00 C +ATOM 914 CG1 VAL A 62 -11.244 5.748 7.666 1.00 0.00 C +ATOM 915 CG2 VAL A 62 -12.958 5.741 5.816 1.00 0.00 C +ATOM 916 H VAL A 62 -10.483 6.961 3.851 1.00 0.00 H +ATOM 917 HA VAL A 62 -11.821 8.117 6.200 1.00 0.00 H +ATOM 918 HB VAL A 62 -10.879 5.310 5.609 1.00 0.00 H +ATOM 919 HG11 VAL A 62 -10.729 6.605 8.100 1.00 0.00 H +ATOM 920 HG12 VAL A 62 -12.197 5.601 8.175 1.00 0.00 H +ATOM 921 HG13 VAL A 62 -10.628 4.857 7.781 1.00 0.00 H +ATOM 922 HG21 VAL A 62 -13.591 5.954 6.678 1.00 0.00 H +ATOM 923 HG22 VAL A 62 -13.248 6.385 4.985 1.00 0.00 H +ATOM 924 HG23 VAL A 62 -13.078 4.697 5.526 1.00 0.00 H +ATOM 925 N LYS A 63 -9.708 8.521 7.441 1.00 0.00 N +ATOM 926 CA LYS A 63 -8.467 8.958 8.058 1.00 0.00 C +ATOM 927 C LYS A 63 -7.894 7.818 8.903 1.00 0.00 C +ATOM 928 O LYS A 63 -8.347 7.582 10.022 1.00 0.00 O +ATOM 929 CB LYS A 63 -8.686 10.254 8.842 1.00 0.00 C +ATOM 930 CG LYS A 63 -8.880 11.441 7.895 1.00 0.00 C +ATOM 931 CD LYS A 63 -7.959 12.601 8.275 1.00 0.00 C +ATOM 932 CE LYS A 63 -6.566 12.416 7.669 1.00 0.00 C +ATOM 933 NZ LYS A 63 -5.757 13.643 7.845 1.00 0.00 N +ATOM 934 H LYS A 63 -10.540 8.796 7.923 1.00 0.00 H +ATOM 935 HA LYS A 63 -7.764 9.181 7.256 1.00 0.00 H +ATOM 936 HB2 LYS A 63 -9.559 10.152 9.486 1.00 0.00 H +ATOM 937 HB3 LYS A 63 -7.831 10.439 9.492 1.00 0.00 H +ATOM 938 HG2 LYS A 63 -8.677 11.130 6.870 1.00 0.00 H +ATOM 939 HG3 LYS A 63 -9.919 11.770 7.928 1.00 0.00 H +ATOM 940 HD2 LYS A 63 -8.389 13.541 7.927 1.00 0.00 H +ATOM 941 HD3 LYS A 63 -7.881 12.669 9.360 1.00 0.00 H +ATOM 942 HE2 LYS A 63 -6.066 11.572 8.142 1.00 0.00 H +ATOM 943 HE3 LYS A 63 -6.653 12.181 6.608 1.00 0.00 H +ATOM 944 HZ1 LYS A 63 -6.281 14.436 7.536 1.00 0.00 H +ATOM 945 HZ2 LYS A 63 -5.525 13.753 8.812 1.00 0.00 H +ATOM 946 HZ3 LYS A 63 -4.917 13.568 7.308 1.00 0.00 H +ATOM 947 N ALA A 64 -6.907 7.142 8.334 1.00 0.00 N +ATOM 948 CA ALA A 64 -6.268 6.032 9.021 1.00 0.00 C +ATOM 949 C ALA A 64 -4.785 5.992 8.644 1.00 0.00 C +ATOM 950 O ALA A 64 -4.359 6.671 7.712 1.00 0.00 O +ATOM 951 CB ALA A 64 -6.993 4.731 8.675 1.00 0.00 C +ATOM 952 H ALA A 64 -6.545 7.340 7.424 1.00 0.00 H +ATOM 953 HA ALA A 64 -6.357 6.210 10.093 1.00 0.00 H +ATOM 954 HB1 ALA A 64 -6.265 3.978 8.373 1.00 0.00 H +ATOM 955 HB2 ALA A 64 -7.542 4.377 9.548 1.00 0.00 H +ATOM 956 HB3 ALA A 64 -7.690 4.910 7.856 1.00 0.00 H +ATOM 957 N VAL A 65 -4.040 5.188 9.389 1.00 0.00 N +ATOM 958 CA VAL A 65 -2.615 5.050 9.145 1.00 0.00 C +ATOM 959 C VAL A 65 -2.361 3.773 8.341 1.00 0.00 C +ATOM 960 O VAL A 65 -2.795 2.691 8.734 1.00 0.00 O +ATOM 961 CB VAL A 65 -1.851 5.083 10.470 1.00 0.00 C +ATOM 962 CG1 VAL A 65 -0.365 4.792 10.254 1.00 0.00 C +ATOM 963 CG2 VAL A 65 -2.050 6.422 11.184 1.00 0.00 C +ATOM 964 H VAL A 65 -4.395 4.639 10.146 1.00 0.00 H +ATOM 965 HA VAL A 65 -2.298 5.907 8.551 1.00 0.00 H +ATOM 966 HB VAL A 65 -2.256 4.299 11.110 1.00 0.00 H +ATOM 967 HG11 VAL A 65 0.229 5.603 10.676 1.00 0.00 H +ATOM 968 HG12 VAL A 65 -0.102 3.856 10.747 1.00 0.00 H +ATOM 969 HG13 VAL A 65 -0.162 4.710 9.187 1.00 0.00 H +ATOM 970 HG21 VAL A 65 -3.028 6.828 10.928 1.00 0.00 H +ATOM 971 HG22 VAL A 65 -1.989 6.271 12.262 1.00 0.00 H +ATOM 972 HG23 VAL A 65 -1.273 7.119 10.870 1.00 0.00 H +ATOM 973 N LEU A 66 -1.659 3.941 7.230 1.00 0.00 N +ATOM 974 CA LEU A 66 -1.342 2.816 6.367 1.00 0.00 C +ATOM 975 C LEU A 66 -0.029 2.180 6.828 1.00 0.00 C +ATOM 976 O LEU A 66 1.031 2.797 6.734 1.00 0.00 O +ATOM 977 CB LEU A 66 -1.333 3.251 4.900 1.00 0.00 C +ATOM 978 CG LEU A 66 -0.654 2.292 3.920 1.00 0.00 C +ATOM 979 CD1 LEU A 66 -1.146 0.858 4.126 1.00 0.00 C +ATOM 980 CD2 LEU A 66 -0.841 2.761 2.476 1.00 0.00 C +ATOM 981 H LEU A 66 -1.309 4.825 6.918 1.00 0.00 H +ATOM 982 HA LEU A 66 -2.140 2.082 6.481 1.00 0.00 H +ATOM 983 HB2 LEU A 66 -2.365 3.397 4.579 1.00 0.00 H +ATOM 984 HB3 LEU A 66 -0.838 4.220 4.832 1.00 0.00 H +ATOM 985 HG LEU A 66 0.417 2.298 4.124 1.00 0.00 H +ATOM 986 HD11 LEU A 66 -0.380 0.160 3.788 1.00 0.00 H +ATOM 987 HD12 LEU A 66 -1.348 0.692 5.184 1.00 0.00 H +ATOM 988 HD13 LEU A 66 -2.059 0.702 3.552 1.00 0.00 H +ATOM 989 HD21 LEU A 66 -0.376 2.045 1.799 1.00 0.00 H +ATOM 990 HD22 LEU A 66 -1.905 2.834 2.253 1.00 0.00 H +ATOM 991 HD23 LEU A 66 -0.375 3.738 2.348 1.00 0.00 H +ATOM 992 N TRP A 67 -0.142 0.953 7.315 1.00 0.00 N +ATOM 993 CA TRP A 67 1.023 0.226 7.790 1.00 0.00 C +ATOM 994 C TRP A 67 1.532 -0.653 6.645 1.00 0.00 C +ATOM 995 O TRP A 67 0.740 -1.207 5.885 1.00 0.00 O +ATOM 996 CB TRP A 67 0.695 -0.570 9.054 1.00 0.00 C +ATOM 997 CG TRP A 67 0.322 0.298 10.258 1.00 0.00 C +ATOM 998 CD1 TRP A 67 -0.776 1.048 10.425 1.00 0.00 C +ATOM 999 CD2 TRP A 67 1.096 0.476 11.462 1.00 0.00 C +ATOM 1000 NE1 TRP A 67 -0.766 1.694 11.644 1.00 0.00 N +ATOM 1001 CE2 TRP A 67 0.409 1.335 12.295 1.00 0.00 C +ATOM 1002 CE3 TRP A 67 2.337 -0.070 11.836 1.00 0.00 C +ATOM 1003 CZ2 TRP A 67 0.882 1.725 13.554 1.00 0.00 C +ATOM 1004 CZ3 TRP A 67 2.796 0.329 13.097 1.00 0.00 C +ATOM 1005 CH2 TRP A 67 2.116 1.193 13.947 1.00 0.00 C +ATOM 1006 H TRP A 67 -1.007 0.457 7.388 1.00 0.00 H +ATOM 1007 HA TRP A 67 1.783 0.958 8.065 1.00 0.00 H +ATOM 1008 HB2 TRP A 67 -0.131 -1.249 8.840 1.00 0.00 H +ATOM 1009 HB3 TRP A 67 1.555 -1.187 9.317 1.00 0.00 H +ATOM 1010 HD1 TRP A 67 -1.576 1.136 9.691 1.00 0.00 H +ATOM 1011 HE1 TRP A 67 -1.537 2.363 12.027 1.00 0.00 H +ATOM 1012 HE3 TRP A 67 2.899 -0.751 11.196 1.00 0.00 H +ATOM 1013 HZ2 TRP A 67 0.320 2.405 14.194 1.00 0.00 H +ATOM 1014 HZ3 TRP A 67 3.753 -0.066 13.436 1.00 0.00 H +ATOM 1015 HH2 TRP A 67 2.541 1.455 14.916 1.00 0.00 H +ATOM 1016 N VAL A 68 2.850 -0.752 6.559 1.00 0.00 N +ATOM 1017 CA VAL A 68 3.474 -1.554 5.520 1.00 0.00 C +ATOM 1018 C VAL A 68 4.441 -2.551 6.162 1.00 0.00 C +ATOM 1019 O VAL A 68 5.321 -2.161 6.928 1.00 0.00 O +ATOM 1020 CB VAL A 68 4.148 -0.644 4.491 1.00 0.00 C +ATOM 1021 CG1 VAL A 68 4.486 -1.417 3.214 1.00 0.00 C +ATOM 1022 CG2 VAL A 68 3.276 0.574 4.182 1.00 0.00 C +ATOM 1023 H VAL A 68 3.487 -0.298 7.182 1.00 0.00 H +ATOM 1024 HA VAL A 68 2.684 -2.108 5.014 1.00 0.00 H +ATOM 1025 HB VAL A 68 5.083 -0.286 4.923 1.00 0.00 H +ATOM 1026 HG11 VAL A 68 5.423 -1.044 2.802 1.00 0.00 H +ATOM 1027 HG12 VAL A 68 4.587 -2.477 3.447 1.00 0.00 H +ATOM 1028 HG13 VAL A 68 3.687 -1.279 2.485 1.00 0.00 H +ATOM 1029 HG21 VAL A 68 3.663 1.443 4.714 1.00 0.00 H +ATOM 1030 HG22 VAL A 68 3.293 0.769 3.109 1.00 0.00 H +ATOM 1031 HG23 VAL A 68 2.253 0.379 4.500 1.00 0.00 H +ATOM 1032 N SER A 69 4.245 -3.817 5.827 1.00 0.00 N +ATOM 1033 CA SER A 69 5.089 -4.872 6.361 1.00 0.00 C +ATOM 1034 C SER A 69 5.304 -5.956 5.303 1.00 0.00 C +ATOM 1035 O SER A 69 4.523 -6.072 4.360 1.00 0.00 O +ATOM 1036 CB SER A 69 4.477 -5.479 7.625 1.00 0.00 C +ATOM 1037 OG SER A 69 4.265 -4.500 8.639 1.00 0.00 O +ATOM 1038 H SER A 69 3.526 -4.125 5.203 1.00 0.00 H +ATOM 1039 HA SER A 69 6.033 -4.388 6.611 1.00 0.00 H +ATOM 1040 HB2 SER A 69 3.529 -5.956 7.377 1.00 0.00 H +ATOM 1041 HB3 SER A 69 5.136 -6.259 8.008 1.00 0.00 H +ATOM 1042 HG SER A 69 3.475 -3.933 8.405 1.00 0.00 H +ATOM 1043 N ALA A 70 6.368 -6.723 5.495 1.00 0.00 N +ATOM 1044 CA ALA A 70 6.696 -7.793 4.569 1.00 0.00 C +ATOM 1045 C ALA A 70 5.483 -8.711 4.407 1.00 0.00 C +ATOM 1046 O ALA A 70 5.265 -9.274 3.335 1.00 0.00 O +ATOM 1047 CB ALA A 70 7.931 -8.543 5.072 1.00 0.00 C +ATOM 1048 H ALA A 70 6.998 -6.622 6.264 1.00 0.00 H +ATOM 1049 HA ALA A 70 6.929 -7.339 3.606 1.00 0.00 H +ATOM 1050 HB1 ALA A 70 8.324 -9.172 4.273 1.00 0.00 H +ATOM 1051 HB2 ALA A 70 8.693 -7.825 5.376 1.00 0.00 H +ATOM 1052 HB3 ALA A 70 7.657 -9.165 5.923 1.00 0.00 H +ATOM 1053 N ASP A 71 4.725 -8.834 5.487 1.00 0.00 N +ATOM 1054 CA ASP A 71 3.539 -9.674 5.478 1.00 0.00 C +ATOM 1055 C ASP A 71 2.477 -9.039 4.579 1.00 0.00 C +ATOM 1056 O ASP A 71 1.516 -9.699 4.185 1.00 0.00 O +ATOM 1057 CB ASP A 71 2.950 -9.810 6.883 1.00 0.00 C +ATOM 1058 CG ASP A 71 3.453 -11.015 7.681 1.00 0.00 C +ATOM 1059 OD1 ASP A 71 3.553 -12.099 7.068 1.00 0.00 O +ATOM 1060 OD2 ASP A 71 3.724 -10.824 8.886 1.00 0.00 O +ATOM 1061 H ASP A 71 4.909 -8.372 6.354 1.00 0.00 H +ATOM 1062 HA ASP A 71 3.877 -10.641 5.105 1.00 0.00 H +ATOM 1063 HB2 ASP A 71 3.174 -8.902 7.444 1.00 0.00 H +ATOM 1064 HB3 ASP A 71 1.865 -9.874 6.801 1.00 0.00 H +ATOM 1065 N GLY A 72 2.684 -7.765 4.280 1.00 0.00 N +ATOM 1066 CA GLY A 72 1.756 -7.033 3.435 1.00 0.00 C +ATOM 1067 C GLY A 72 1.530 -5.617 3.966 1.00 0.00 C +ATOM 1068 O GLY A 72 2.483 -4.862 4.157 1.00 0.00 O +ATOM 1069 H GLY A 72 3.468 -7.235 4.604 1.00 0.00 H +ATOM 1070 HA2 GLY A 72 2.144 -6.987 2.417 1.00 0.00 H +ATOM 1071 HA3 GLY A 72 0.805 -7.564 3.389 1.00 0.00 H +ATOM 1072 N LEU A 73 0.264 -5.298 4.190 1.00 0.00 N +ATOM 1073 CA LEU A 73 -0.099 -3.985 4.695 1.00 0.00 C +ATOM 1074 C LEU A 73 -1.128 -4.141 5.817 1.00 0.00 C +ATOM 1075 O LEU A 73 -1.579 -5.250 6.100 1.00 0.00 O +ATOM 1076 CB LEU A 73 -0.568 -3.081 3.553 1.00 0.00 C +ATOM 1077 CG LEU A 73 0.044 -3.365 2.179 1.00 0.00 C +ATOM 1078 CD1 LEU A 73 -0.941 -3.024 1.060 1.00 0.00 C +ATOM 1079 CD2 LEU A 73 1.378 -2.635 2.012 1.00 0.00 C +ATOM 1080 H LEU A 73 -0.505 -5.917 4.032 1.00 0.00 H +ATOM 1081 HA LEU A 73 0.801 -3.535 5.113 1.00 0.00 H +ATOM 1082 HB2 LEU A 73 -1.652 -3.166 3.470 1.00 0.00 H +ATOM 1083 HB3 LEU A 73 -0.348 -2.048 3.820 1.00 0.00 H +ATOM 1084 HG LEU A 73 0.251 -4.433 2.112 1.00 0.00 H +ATOM 1085 HD11 LEU A 73 -0.738 -3.653 0.193 1.00 0.00 H +ATOM 1086 HD12 LEU A 73 -1.960 -3.199 1.406 1.00 0.00 H +ATOM 1087 HD13 LEU A 73 -0.827 -1.976 0.782 1.00 0.00 H +ATOM 1088 HD21 LEU A 73 1.662 -2.175 2.959 1.00 0.00 H +ATOM 1089 HD22 LEU A 73 2.146 -3.346 1.708 1.00 0.00 H +ATOM 1090 HD23 LEU A 73 1.276 -1.863 1.249 1.00 0.00 H +ATOM 1091 N ARG A 74 -1.469 -3.015 6.425 1.00 0.00 N +ATOM 1092 CA ARG A 74 -2.437 -3.013 7.509 1.00 0.00 C +ATOM 1093 C ARG A 74 -3.048 -1.620 7.673 1.00 0.00 C +ATOM 1094 O ARG A 74 -2.373 -0.688 8.107 1.00 0.00 O +ATOM 1095 CB ARG A 74 -1.786 -3.435 8.828 1.00 0.00 C +ATOM 1096 CG ARG A 74 -1.860 -4.951 9.016 1.00 0.00 C +ATOM 1097 CD ARG A 74 -2.239 -5.308 10.454 1.00 0.00 C +ATOM 1098 NE ARG A 74 -1.813 -6.692 10.762 1.00 0.00 N +ATOM 1099 CZ ARG A 74 -0.540 -7.059 10.960 1.00 0.00 C +ATOM 1100 NH1 ARG A 74 0.440 -6.149 10.883 1.00 0.00 N +ATOM 1101 NH2 ARG A 74 -0.247 -8.338 11.233 1.00 0.00 N +ATOM 1102 H ARG A 74 -1.098 -2.117 6.189 1.00 0.00 H +ATOM 1103 HA ARG A 74 -3.192 -3.740 7.211 1.00 0.00 H +ATOM 1104 HB2 ARG A 74 -0.745 -3.113 8.844 1.00 0.00 H +ATOM 1105 HB3 ARG A 74 -2.286 -2.937 9.660 1.00 0.00 H +ATOM 1106 HG2 ARG A 74 -2.594 -5.371 8.328 1.00 0.00 H +ATOM 1107 HG3 ARG A 74 -0.898 -5.399 8.768 1.00 0.00 H +ATOM 1108 HD2 ARG A 74 -1.768 -4.611 11.147 1.00 0.00 H +ATOM 1109 HD3 ARG A 74 -3.317 -5.212 10.590 1.00 0.00 H +ATOM 1110 HE ARG A 74 -2.520 -7.397 10.826 1.00 0.00 H +ATOM 1111 HH11 ARG A 74 0.221 -5.195 10.679 1.00 0.00 H +ATOM 1112 HH12 ARG A 74 1.390 -6.423 11.031 1.00 0.00 H +ATOM 1113 HH21 ARG A 74 -0.978 -9.018 11.290 1.00 0.00 H +ATOM 1114 HH22 ARG A 74 0.704 -8.612 11.381 1.00 0.00 H +ATOM 1115 N VAL A 75 -4.321 -1.522 7.316 1.00 0.00 N +ATOM 1116 CA VAL A 75 -5.031 -0.258 7.418 1.00 0.00 C +ATOM 1117 C VAL A 75 -5.589 -0.104 8.834 1.00 0.00 C +ATOM 1118 O VAL A 75 -6.678 -0.592 9.132 1.00 0.00 O +ATOM 1119 CB VAL A 75 -6.111 -0.177 6.337 1.00 0.00 C +ATOM 1120 CG1 VAL A 75 -6.848 1.163 6.399 1.00 0.00 C +ATOM 1121 CG2 VAL A 75 -5.515 -0.410 4.948 1.00 0.00 C +ATOM 1122 H VAL A 75 -4.863 -2.284 6.964 1.00 0.00 H +ATOM 1123 HA VAL A 75 -4.311 0.540 7.236 1.00 0.00 H +ATOM 1124 HB VAL A 75 -6.836 -0.968 6.528 1.00 0.00 H +ATOM 1125 HG11 VAL A 75 -6.129 1.978 6.322 1.00 0.00 H +ATOM 1126 HG12 VAL A 75 -7.558 1.225 5.574 1.00 0.00 H +ATOM 1127 HG13 VAL A 75 -7.384 1.239 7.346 1.00 0.00 H +ATOM 1128 HG21 VAL A 75 -4.576 0.137 4.858 1.00 0.00 H +ATOM 1129 HG22 VAL A 75 -5.330 -1.475 4.806 1.00 0.00 H +ATOM 1130 HG23 VAL A 75 -6.214 -0.059 4.189 1.00 0.00 H +ATOM 1131 N VAL A 76 -4.818 0.576 9.669 1.00 0.00 N +ATOM 1132 CA VAL A 76 -5.222 0.800 11.047 1.00 0.00 C +ATOM 1133 C VAL A 76 -6.155 2.011 11.110 1.00 0.00 C +ATOM 1134 O VAL A 76 -6.083 2.899 10.261 1.00 0.00 O +ATOM 1135 CB VAL A 76 -3.986 0.951 11.937 1.00 0.00 C +ATOM 1136 CG1 VAL A 76 -4.306 1.778 13.183 1.00 0.00 C +ATOM 1137 CG2 VAL A 76 -3.415 -0.417 12.317 1.00 0.00 C +ATOM 1138 H VAL A 76 -3.933 0.970 9.419 1.00 0.00 H +ATOM 1139 HA VAL A 76 -5.769 -0.083 11.377 1.00 0.00 H +ATOM 1140 HB VAL A 76 -3.226 1.484 11.366 1.00 0.00 H +ATOM 1141 HG11 VAL A 76 -5.296 1.511 13.552 1.00 0.00 H +ATOM 1142 HG12 VAL A 76 -3.563 1.574 13.955 1.00 0.00 H +ATOM 1143 HG13 VAL A 76 -4.286 2.838 12.931 1.00 0.00 H +ATOM 1144 HG21 VAL A 76 -3.930 -0.792 13.201 1.00 0.00 H +ATOM 1145 HG22 VAL A 76 -3.556 -1.113 11.491 1.00 0.00 H +ATOM 1146 HG23 VAL A 76 -2.350 -0.319 12.532 1.00 0.00 H +ATOM 1147 N ASP A 77 -7.009 2.008 12.123 1.00 0.00 N +ATOM 1148 CA ASP A 77 -7.955 3.095 12.307 1.00 0.00 C +ATOM 1149 C ASP A 77 -7.424 4.051 13.377 1.00 0.00 C +ATOM 1150 O ASP A 77 -7.493 3.755 14.569 1.00 0.00 O +ATOM 1151 CB ASP A 77 -9.314 2.569 12.775 1.00 0.00 C +ATOM 1152 CG ASP A 77 -10.460 3.579 12.695 1.00 0.00 C +ATOM 1153 OD1 ASP A 77 -10.157 4.789 12.781 1.00 0.00 O +ATOM 1154 OD2 ASP A 77 -11.613 3.119 12.550 1.00 0.00 O +ATOM 1155 H ASP A 77 -7.060 1.282 12.808 1.00 0.00 H +ATOM 1156 HA ASP A 77 -8.040 3.569 11.329 1.00 0.00 H +ATOM 1157 HB2 ASP A 77 -9.575 1.698 12.175 1.00 0.00 H +ATOM 1158 HB3 ASP A 77 -9.219 2.230 13.806 1.00 0.00 H +ATOM 1159 N GLU A 78 -6.906 5.179 12.913 1.00 0.00 N +ATOM 1160 CA GLU A 78 -6.364 6.180 13.816 1.00 0.00 C +ATOM 1161 C GLU A 78 -7.254 6.318 15.052 1.00 0.00 C +ATOM 1162 O GLU A 78 -6.776 6.667 16.130 1.00 0.00 O +ATOM 1163 CB GLU A 78 -6.200 7.526 13.106 1.00 0.00 C +ATOM 1164 CG GLU A 78 -4.928 7.546 12.255 1.00 0.00 C +ATOM 1165 CD GLU A 78 -4.194 8.880 12.397 1.00 0.00 C +ATOM 1166 OE1 GLU A 78 -4.809 9.908 12.039 1.00 0.00 O +ATOM 1167 OE2 GLU A 78 -3.034 8.843 12.861 1.00 0.00 O +ATOM 1168 H GLU A 78 -6.854 5.413 11.942 1.00 0.00 H +ATOM 1169 HA GLU A 78 -5.382 5.807 14.106 1.00 0.00 H +ATOM 1170 HB2 GLU A 78 -7.067 7.717 12.474 1.00 0.00 H +ATOM 1171 HB3 GLU A 78 -6.160 8.328 13.844 1.00 0.00 H +ATOM 1172 HG2 GLU A 78 -4.271 6.731 12.559 1.00 0.00 H +ATOM 1173 HG3 GLU A 78 -5.184 7.376 11.209 1.00 0.00 H +ATOM 1174 N LYS A 79 -8.534 6.036 14.856 1.00 0.00 N +ATOM 1175 CA LYS A 79 -9.495 6.124 15.942 1.00 0.00 C +ATOM 1176 C LYS A 79 -8.893 5.500 17.202 1.00 0.00 C +ATOM 1177 O LYS A 79 -8.554 6.208 18.149 1.00 0.00 O +ATOM 1178 CB LYS A 79 -10.831 5.504 15.526 1.00 0.00 C +ATOM 1179 CG LYS A 79 -11.948 5.913 16.489 1.00 0.00 C +ATOM 1180 CD LYS A 79 -13.298 5.357 16.030 1.00 0.00 C +ATOM 1181 CE LYS A 79 -14.446 5.976 16.830 1.00 0.00 C +ATOM 1182 NZ LYS A 79 -15.576 6.316 15.937 1.00 0.00 N +ATOM 1183 H LYS A 79 -8.915 5.753 13.976 1.00 0.00 H +ATOM 1184 HA LYS A 79 -9.676 7.182 16.133 1.00 0.00 H +ATOM 1185 HB2 LYS A 79 -11.084 5.821 14.515 1.00 0.00 H +ATOM 1186 HB3 LYS A 79 -10.742 4.418 15.507 1.00 0.00 H +ATOM 1187 HG2 LYS A 79 -11.721 5.546 17.491 1.00 0.00 H +ATOM 1188 HG3 LYS A 79 -12.000 6.999 16.552 1.00 0.00 H +ATOM 1189 HD2 LYS A 79 -13.437 5.563 14.969 1.00 0.00 H +ATOM 1190 HD3 LYS A 79 -13.309 4.274 16.150 1.00 0.00 H +ATOM 1191 HE2 LYS A 79 -14.779 5.279 17.599 1.00 0.00 H +ATOM 1192 HE3 LYS A 79 -14.097 6.873 17.343 1.00 0.00 H +ATOM 1193 HZ1 LYS A 79 -15.485 5.812 15.078 1.00 0.00 H +ATOM 1194 HZ2 LYS A 79 -16.437 6.067 16.380 1.00 0.00 H +ATOM 1195 HZ3 LYS A 79 -15.569 7.298 15.750 1.00 0.00 H +ATOM 1196 N THR A 80 -8.777 4.180 17.172 1.00 0.00 N +ATOM 1197 CA THR A 80 -8.222 3.452 18.301 1.00 0.00 C +ATOM 1198 C THR A 80 -7.027 2.608 17.854 1.00 0.00 C +ATOM 1199 O THR A 80 -6.616 1.686 18.557 1.00 0.00 O +ATOM 1200 CB THR A 80 -9.346 2.628 18.932 1.00 0.00 C +ATOM 1201 OG1 THR A 80 -8.806 2.203 20.180 1.00 0.00 O +ATOM 1202 CG2 THR A 80 -9.611 1.324 18.176 1.00 0.00 C +ATOM 1203 H THR A 80 -9.055 3.611 16.398 1.00 0.00 H +ATOM 1204 HA THR A 80 -7.849 4.175 19.026 1.00 0.00 H +ATOM 1205 HB THR A 80 -10.258 3.219 19.022 1.00 0.00 H +ATOM 1206 HG1 THR A 80 -8.424 2.985 20.672 1.00 0.00 H +ATOM 1207 HG21 THR A 80 -8.662 0.856 17.915 1.00 0.00 H +ATOM 1208 HG22 THR A 80 -10.187 0.649 18.809 1.00 0.00 H +ATOM 1209 HG23 THR A 80 -10.173 1.539 17.268 1.00 0.00 H +ATOM 1210 N LYS A 81 -6.502 2.953 16.688 1.00 0.00 N +ATOM 1211 CA LYS A 81 -5.362 2.238 16.139 1.00 0.00 C +ATOM 1212 C LYS A 81 -5.791 0.820 15.757 1.00 0.00 C +ATOM 1213 O LYS A 81 -4.955 -0.011 15.404 1.00 0.00 O +ATOM 1214 CB LYS A 81 -4.182 2.283 17.112 1.00 0.00 C +ATOM 1215 CG LYS A 81 -3.358 3.557 16.916 1.00 0.00 C +ATOM 1216 CD LYS A 81 -2.694 3.573 15.537 1.00 0.00 C +ATOM 1217 CE LYS A 81 -1.451 4.465 15.538 1.00 0.00 C +ATOM 1218 NZ LYS A 81 -1.721 5.731 14.820 1.00 0.00 N +ATOM 1219 H LYS A 81 -6.842 3.704 16.122 1.00 0.00 H +ATOM 1220 HA LYS A 81 -5.053 2.761 15.234 1.00 0.00 H +ATOM 1221 HB2 LYS A 81 -4.550 2.238 18.137 1.00 0.00 H +ATOM 1222 HB3 LYS A 81 -3.549 1.409 16.962 1.00 0.00 H +ATOM 1223 HG2 LYS A 81 -4.000 4.430 17.024 1.00 0.00 H +ATOM 1224 HG3 LYS A 81 -2.595 3.624 17.691 1.00 0.00 H +ATOM 1225 HD2 LYS A 81 -2.417 2.558 15.251 1.00 0.00 H +ATOM 1226 HD3 LYS A 81 -3.404 3.932 14.792 1.00 0.00 H +ATOM 1227 HE2 LYS A 81 -1.150 4.679 16.563 1.00 0.00 H +ATOM 1228 HE3 LYS A 81 -0.620 3.942 15.065 1.00 0.00 H +ATOM 1229 HZ1 LYS A 81 -1.454 6.504 15.395 1.00 0.00 H +ATOM 1230 HZ2 LYS A 81 -1.194 5.750 13.970 1.00 0.00 H +ATOM 1231 HZ3 LYS A 81 -2.697 5.793 14.609 1.00 0.00 H +ATOM 1232 N ASP A 82 -7.092 0.586 15.841 1.00 0.00 N +ATOM 1233 CA ASP A 82 -7.642 -0.717 15.508 1.00 0.00 C +ATOM 1234 C ASP A 82 -7.191 -1.111 14.100 1.00 0.00 C +ATOM 1235 O ASP A 82 -6.348 -0.443 13.504 1.00 0.00 O +ATOM 1236 CB ASP A 82 -9.171 -0.690 15.525 1.00 0.00 C +ATOM 1237 CG ASP A 82 -9.827 -1.771 16.387 1.00 0.00 C +ATOM 1238 OD1 ASP A 82 -9.067 -2.595 16.940 1.00 0.00 O +ATOM 1239 OD2 ASP A 82 -11.074 -1.749 16.474 1.00 0.00 O +ATOM 1240 H ASP A 82 -7.765 1.268 16.129 1.00 0.00 H +ATOM 1241 HA ASP A 82 -7.259 -1.393 16.273 1.00 0.00 H +ATOM 1242 HB2 ASP A 82 -9.499 0.286 15.882 1.00 0.00 H +ATOM 1243 HB3 ASP A 82 -9.533 -0.793 14.502 1.00 0.00 H +ATOM 1244 N LEU A 83 -7.774 -2.195 13.609 1.00 0.00 N +ATOM 1245 CA LEU A 83 -7.444 -2.686 12.282 1.00 0.00 C +ATOM 1246 C LEU A 83 -8.670 -2.560 11.376 1.00 0.00 C +ATOM 1247 O LEU A 83 -9.716 -3.143 11.656 1.00 0.00 O +ATOM 1248 CB LEU A 83 -6.882 -4.107 12.362 1.00 0.00 C +ATOM 1249 CG LEU A 83 -6.078 -4.580 11.149 1.00 0.00 C +ATOM 1250 CD1 LEU A 83 -6.990 -5.224 10.103 1.00 0.00 C +ATOM 1251 CD2 LEU A 83 -5.251 -3.435 10.560 1.00 0.00 C +ATOM 1252 H LEU A 83 -8.460 -2.733 14.100 1.00 0.00 H +ATOM 1253 HA LEU A 83 -6.653 -2.049 11.885 1.00 0.00 H +ATOM 1254 HB2 LEU A 83 -6.245 -4.176 13.244 1.00 0.00 H +ATOM 1255 HB3 LEU A 83 -7.712 -4.797 12.513 1.00 0.00 H +ATOM 1256 HG LEU A 83 -5.377 -5.346 11.480 1.00 0.00 H +ATOM 1257 HD11 LEU A 83 -7.846 -4.575 9.918 1.00 0.00 H +ATOM 1258 HD12 LEU A 83 -6.436 -5.367 9.176 1.00 0.00 H +ATOM 1259 HD13 LEU A 83 -7.339 -6.189 10.471 1.00 0.00 H +ATOM 1260 HD21 LEU A 83 -4.711 -2.928 11.360 1.00 0.00 H +ATOM 1261 HD22 LEU A 83 -4.539 -3.835 9.838 1.00 0.00 H +ATOM 1262 HD23 LEU A 83 -5.913 -2.726 10.063 1.00 0.00 H +ATOM 1263 N ILE A 84 -8.500 -1.794 10.308 1.00 0.00 N +ATOM 1264 CA ILE A 84 -9.580 -1.583 9.359 1.00 0.00 C +ATOM 1265 C ILE A 84 -9.547 -2.689 8.302 1.00 0.00 C +ATOM 1266 O ILE A 84 -10.574 -3.293 7.997 1.00 0.00 O +ATOM 1267 CB ILE A 84 -9.511 -0.171 8.774 1.00 0.00 C +ATOM 1268 CG1 ILE A 84 -9.353 0.873 9.881 1.00 0.00 C +ATOM 1269 CG2 ILE A 84 -10.724 0.114 7.886 1.00 0.00 C +ATOM 1270 CD1 ILE A 84 -8.990 2.240 9.297 1.00 0.00 C +ATOM 1271 H ILE A 84 -7.646 -1.323 10.088 1.00 0.00 H +ATOM 1272 HA ILE A 84 -10.518 -1.659 9.909 1.00 0.00 H +ATOM 1273 HB ILE A 84 -8.626 -0.106 8.141 1.00 0.00 H +ATOM 1274 HG12 ILE A 84 -10.281 0.951 10.448 1.00 0.00 H +ATOM 1275 HG13 ILE A 84 -8.579 0.554 10.579 1.00 0.00 H +ATOM 1276 HG21 ILE A 84 -10.407 0.675 7.007 1.00 0.00 H +ATOM 1277 HG22 ILE A 84 -11.175 -0.828 7.573 1.00 0.00 H +ATOM 1278 HG23 ILE A 84 -11.455 0.698 8.445 1.00 0.00 H +ATOM 1279 HD11 ILE A 84 -9.363 3.026 9.953 1.00 0.00 H +ATOM 1280 HD12 ILE A 84 -7.906 2.322 9.212 1.00 0.00 H +ATOM 1281 HD13 ILE A 84 -9.441 2.345 8.310 1.00 0.00 H +ATOM 1282 N VAL A 85 -8.355 -2.920 7.771 1.00 0.00 N +ATOM 1283 CA VAL A 85 -8.175 -3.943 6.754 1.00 0.00 C +ATOM 1284 C VAL A 85 -6.802 -4.595 6.930 1.00 0.00 C +ATOM 1285 O VAL A 85 -5.889 -3.987 7.486 1.00 0.00 O +ATOM 1286 CB VAL A 85 -8.375 -3.338 5.363 1.00 0.00 C +ATOM 1287 CG1 VAL A 85 -7.962 -4.327 4.271 1.00 0.00 C +ATOM 1288 CG2 VAL A 85 -9.821 -2.879 5.168 1.00 0.00 C +ATOM 1289 H VAL A 85 -7.524 -2.425 8.024 1.00 0.00 H +ATOM 1290 HA VAL A 85 -8.945 -4.699 6.907 1.00 0.00 H +ATOM 1291 HB VAL A 85 -7.732 -2.462 5.282 1.00 0.00 H +ATOM 1292 HG11 VAL A 85 -6.918 -4.608 4.412 1.00 0.00 H +ATOM 1293 HG12 VAL A 85 -8.589 -5.216 4.329 1.00 0.00 H +ATOM 1294 HG13 VAL A 85 -8.083 -3.860 3.293 1.00 0.00 H +ATOM 1295 HG21 VAL A 85 -9.909 -1.828 5.443 1.00 0.00 H +ATOM 1296 HG22 VAL A 85 -10.105 -3.006 4.123 1.00 0.00 H +ATOM 1297 HG23 VAL A 85 -10.480 -3.475 5.798 1.00 0.00 H +ATOM 1298 N ASP A 86 -6.700 -5.824 6.447 1.00 0.00 N +ATOM 1299 CA ASP A 86 -5.454 -6.565 6.544 1.00 0.00 C +ATOM 1300 C ASP A 86 -5.116 -7.168 5.179 1.00 0.00 C +ATOM 1301 O ASP A 86 -5.653 -8.210 4.807 1.00 0.00 O +ATOM 1302 CB ASP A 86 -5.572 -7.711 7.551 1.00 0.00 C +ATOM 1303 CG ASP A 86 -4.573 -8.853 7.351 1.00 0.00 C +ATOM 1304 OD1 ASP A 86 -3.400 -8.655 7.735 1.00 0.00 O +ATOM 1305 OD2 ASP A 86 -5.006 -9.898 6.819 1.00 0.00 O +ATOM 1306 H ASP A 86 -7.447 -6.312 5.996 1.00 0.00 H +ATOM 1307 HA ASP A 86 -4.712 -5.837 6.873 1.00 0.00 H +ATOM 1308 HB2 ASP A 86 -5.442 -7.307 8.555 1.00 0.00 H +ATOM 1309 HB3 ASP A 86 -6.582 -8.118 7.499 1.00 0.00 H +ATOM 1310 N GLN A 87 -4.228 -6.487 4.470 1.00 0.00 N +ATOM 1311 CA GLN A 87 -3.812 -6.943 3.154 1.00 0.00 C +ATOM 1312 C GLN A 87 -2.449 -7.633 3.238 1.00 0.00 C +ATOM 1313 O GLN A 87 -1.579 -7.206 3.995 1.00 0.00 O +ATOM 1314 CB GLN A 87 -3.780 -5.782 2.158 1.00 0.00 C +ATOM 1315 CG GLN A 87 -3.272 -6.248 0.791 1.00 0.00 C +ATOM 1316 CD GLN A 87 -4.379 -6.956 0.007 1.00 0.00 C +ATOM 1317 OE1 GLN A 87 -5.449 -6.419 -0.230 1.00 0.00 O +ATOM 1318 NE2 GLN A 87 -4.063 -8.189 -0.380 1.00 0.00 N +ATOM 1319 H GLN A 87 -3.796 -5.640 4.780 1.00 0.00 H +ATOM 1320 HA GLN A 87 -4.572 -7.660 2.843 1.00 0.00 H +ATOM 1321 HB2 GLN A 87 -4.779 -5.359 2.054 1.00 0.00 H +ATOM 1322 HB3 GLN A 87 -3.136 -4.989 2.538 1.00 0.00 H +ATOM 1323 HG2 GLN A 87 -2.910 -5.391 0.223 1.00 0.00 H +ATOM 1324 HG3 GLN A 87 -2.427 -6.922 0.924 1.00 0.00 H +ATOM 1325 HE21 GLN A 87 -3.167 -8.570 -0.153 1.00 0.00 H +ATOM 1326 HE22 GLN A 87 -4.722 -8.734 -0.899 1.00 0.00 H +ATOM 1327 N THR A 88 -2.306 -8.687 2.449 1.00 0.00 N +ATOM 1328 CA THR A 88 -1.064 -9.440 2.424 1.00 0.00 C +ATOM 1329 C THR A 88 -0.310 -9.182 1.118 1.00 0.00 C +ATOM 1330 O THR A 88 -0.913 -9.140 0.047 1.00 0.00 O +ATOM 1331 CB THR A 88 -1.401 -10.916 2.649 1.00 0.00 C +ATOM 1332 OG1 THR A 88 -0.238 -11.609 2.203 1.00 0.00 O +ATOM 1333 CG2 THR A 88 -2.510 -11.412 1.718 1.00 0.00 C +ATOM 1334 H THR A 88 -3.019 -9.028 1.836 1.00 0.00 H +ATOM 1335 HA THR A 88 -0.430 -9.084 3.235 1.00 0.00 H +ATOM 1336 HB THR A 88 -1.655 -11.102 3.692 1.00 0.00 H +ATOM 1337 HG1 THR A 88 -0.280 -11.747 1.214 1.00 0.00 H +ATOM 1338 HG21 THR A 88 -3.476 -11.287 2.207 1.00 0.00 H +ATOM 1339 HG22 THR A 88 -2.493 -10.835 0.794 1.00 0.00 H +ATOM 1340 HG23 THR A 88 -2.350 -12.466 1.492 1.00 0.00 H +ATOM 1341 N ILE A 89 0.998 -9.015 1.250 1.00 0.00 N +ATOM 1342 CA ILE A 89 1.841 -8.761 0.094 1.00 0.00 C +ATOM 1343 C ILE A 89 1.591 -9.841 -0.960 1.00 0.00 C +ATOM 1344 O ILE A 89 1.586 -9.556 -2.157 1.00 0.00 O +ATOM 1345 CB ILE A 89 3.307 -8.641 0.516 1.00 0.00 C +ATOM 1346 CG1 ILE A 89 4.030 -7.577 -0.312 1.00 0.00 C +ATOM 1347 CG2 ILE A 89 4.010 -9.998 0.446 1.00 0.00 C +ATOM 1348 CD1 ILE A 89 3.493 -6.179 0.002 1.00 0.00 C +ATOM 1349 H ILE A 89 1.480 -9.051 2.125 1.00 0.00 H +ATOM 1350 HA ILE A 89 1.545 -7.798 -0.321 1.00 0.00 H +ATOM 1351 HB ILE A 89 3.337 -8.316 1.556 1.00 0.00 H +ATOM 1352 HG12 ILE A 89 5.099 -7.615 -0.105 1.00 0.00 H +ATOM 1353 HG13 ILE A 89 3.903 -7.789 -1.374 1.00 0.00 H +ATOM 1354 HG21 ILE A 89 4.857 -10.004 1.133 1.00 0.00 H +ATOM 1355 HG22 ILE A 89 3.310 -10.785 0.727 1.00 0.00 H +ATOM 1356 HG23 ILE A 89 4.364 -10.172 -0.570 1.00 0.00 H +ATOM 1357 HD11 ILE A 89 3.296 -6.098 1.071 1.00 0.00 H +ATOM 1358 HD12 ILE A 89 4.232 -5.433 -0.289 1.00 0.00 H +ATOM 1359 HD13 ILE A 89 2.570 -6.012 -0.552 1.00 0.00 H +ATOM 1360 N GLU A 90 1.389 -11.059 -0.478 1.00 0.00 N +ATOM 1361 CA GLU A 90 1.139 -12.183 -1.365 1.00 0.00 C +ATOM 1362 C GLU A 90 0.121 -11.795 -2.439 1.00 0.00 C +ATOM 1363 O GLU A 90 0.470 -11.657 -3.610 1.00 0.00 O +ATOM 1364 CB GLU A 90 0.668 -13.407 -0.578 1.00 0.00 C +ATOM 1365 CG GLU A 90 1.670 -13.774 0.518 1.00 0.00 C +ATOM 1366 CD GLU A 90 3.086 -13.887 -0.049 1.00 0.00 C +ATOM 1367 OE1 GLU A 90 3.392 -14.967 -0.600 1.00 0.00 O +ATOM 1368 OE2 GLU A 90 3.831 -12.892 0.080 1.00 0.00 O +ATOM 1369 H GLU A 90 1.395 -11.282 0.496 1.00 0.00 H +ATOM 1370 HA GLU A 90 2.100 -12.405 -1.829 1.00 0.00 H +ATOM 1371 HB2 GLU A 90 -0.306 -13.204 -0.132 1.00 0.00 H +ATOM 1372 HB3 GLU A 90 0.539 -14.251 -1.255 1.00 0.00 H +ATOM 1373 HG2 GLU A 90 1.649 -13.018 1.303 1.00 0.00 H +ATOM 1374 HG3 GLU A 90 1.382 -14.719 0.978 1.00 0.00 H +ATOM 1375 N LYS A 91 -1.119 -11.631 -2.001 1.00 0.00 N +ATOM 1376 CA LYS A 91 -2.191 -11.263 -2.910 1.00 0.00 C +ATOM 1377 C LYS A 91 -1.695 -10.171 -3.861 1.00 0.00 C +ATOM 1378 O LYS A 91 -1.721 -10.344 -5.078 1.00 0.00 O +ATOM 1379 CB LYS A 91 -3.447 -10.873 -2.128 1.00 0.00 C +ATOM 1380 CG LYS A 91 -3.962 -12.049 -1.297 1.00 0.00 C +ATOM 1381 CD LYS A 91 -3.926 -13.349 -2.104 1.00 0.00 C +ATOM 1382 CE LYS A 91 -4.936 -14.360 -1.559 1.00 0.00 C +ATOM 1383 NZ LYS A 91 -4.249 -15.597 -1.125 1.00 0.00 N +ATOM 1384 H LYS A 91 -1.395 -11.746 -1.047 1.00 0.00 H +ATOM 1385 HA LYS A 91 -2.439 -12.146 -3.499 1.00 0.00 H +ATOM 1386 HB2 LYS A 91 -3.226 -10.030 -1.474 1.00 0.00 H +ATOM 1387 HB3 LYS A 91 -4.223 -10.544 -2.820 1.00 0.00 H +ATOM 1388 HG2 LYS A 91 -3.354 -12.158 -0.399 1.00 0.00 H +ATOM 1389 HG3 LYS A 91 -4.982 -11.849 -0.969 1.00 0.00 H +ATOM 1390 HD2 LYS A 91 -4.146 -13.137 -3.150 1.00 0.00 H +ATOM 1391 HD3 LYS A 91 -2.924 -13.775 -2.068 1.00 0.00 H +ATOM 1392 HE2 LYS A 91 -5.479 -13.926 -0.720 1.00 0.00 H +ATOM 1393 HE3 LYS A 91 -5.673 -14.597 -2.327 1.00 0.00 H +ATOM 1394 HZ1 LYS A 91 -4.209 -15.623 -0.126 1.00 0.00 H +ATOM 1395 HZ2 LYS A 91 -4.753 -16.394 -1.460 1.00 0.00 H +ATOM 1396 HZ3 LYS A 91 -3.320 -15.610 -1.497 1.00 0.00 H +ATOM 1397 N VAL A 92 -1.254 -9.071 -3.268 1.00 0.00 N +ATOM 1398 CA VAL A 92 -0.753 -7.951 -4.047 1.00 0.00 C +ATOM 1399 C VAL A 92 0.066 -8.481 -5.226 1.00 0.00 C +ATOM 1400 O VAL A 92 1.166 -9.000 -5.039 1.00 0.00 O +ATOM 1401 CB VAL A 92 0.041 -7.001 -3.147 1.00 0.00 C +ATOM 1402 CG1 VAL A 92 0.662 -5.865 -3.962 1.00 0.00 C +ATOM 1403 CG2 VAL A 92 -0.837 -6.452 -2.020 1.00 0.00 C +ATOM 1404 H VAL A 92 -1.236 -8.938 -2.277 1.00 0.00 H +ATOM 1405 HA VAL A 92 -1.615 -7.408 -4.434 1.00 0.00 H +ATOM 1406 HB VAL A 92 0.852 -7.570 -2.692 1.00 0.00 H +ATOM 1407 HG11 VAL A 92 0.124 -4.938 -3.761 1.00 0.00 H +ATOM 1408 HG12 VAL A 92 1.708 -5.746 -3.680 1.00 0.00 H +ATOM 1409 HG13 VAL A 92 0.596 -6.101 -5.024 1.00 0.00 H +ATOM 1410 HG21 VAL A 92 -1.775 -6.085 -2.437 1.00 0.00 H +ATOM 1411 HG22 VAL A 92 -1.045 -7.246 -1.302 1.00 0.00 H +ATOM 1412 HG23 VAL A 92 -0.317 -5.636 -1.520 1.00 0.00 H +ATOM 1413 N SER A 93 -0.502 -8.333 -6.414 1.00 0.00 N +ATOM 1414 CA SER A 93 0.162 -8.790 -7.623 1.00 0.00 C +ATOM 1415 C SER A 93 1.100 -7.701 -8.148 1.00 0.00 C +ATOM 1416 O SER A 93 2.256 -7.974 -8.466 1.00 0.00 O +ATOM 1417 CB SER A 93 -0.857 -9.177 -8.697 1.00 0.00 C +ATOM 1418 OG SER A 93 -0.363 -10.201 -9.556 1.00 0.00 O +ATOM 1419 H SER A 93 -1.397 -7.910 -6.557 1.00 0.00 H +ATOM 1420 HA SER A 93 0.728 -9.672 -7.325 1.00 0.00 H +ATOM 1421 HB2 SER A 93 -1.776 -9.517 -8.219 1.00 0.00 H +ATOM 1422 HB3 SER A 93 -1.111 -8.298 -9.289 1.00 0.00 H +ATOM 1423 HG SER A 93 0.014 -10.952 -9.013 1.00 0.00 H +ATOM 1424 N PHE A 94 0.566 -6.491 -8.224 1.00 0.00 N +ATOM 1425 CA PHE A 94 1.341 -5.360 -8.706 1.00 0.00 C +ATOM 1426 C PHE A 94 1.004 -4.091 -7.922 1.00 0.00 C +ATOM 1427 O PHE A 94 -0.033 -4.019 -7.265 1.00 0.00 O +ATOM 1428 CB PHE A 94 0.965 -5.153 -10.174 1.00 0.00 C +ATOM 1429 CG PHE A 94 1.806 -4.094 -10.889 1.00 0.00 C +ATOM 1430 CD1 PHE A 94 3.150 -4.044 -10.689 1.00 0.00 C +ATOM 1431 CD2 PHE A 94 1.209 -3.201 -11.724 1.00 0.00 C +ATOM 1432 CE1 PHE A 94 3.931 -3.061 -11.352 1.00 0.00 C +ATOM 1433 CE2 PHE A 94 1.990 -2.218 -12.387 1.00 0.00 C +ATOM 1434 CZ PHE A 94 3.334 -2.168 -12.187 1.00 0.00 C +ATOM 1435 H PHE A 94 -0.376 -6.278 -7.964 1.00 0.00 H +ATOM 1436 HA PHE A 94 2.394 -5.605 -8.563 1.00 0.00 H +ATOM 1437 HB2 PHE A 94 1.068 -6.101 -10.703 1.00 0.00 H +ATOM 1438 HB3 PHE A 94 -0.086 -4.869 -10.233 1.00 0.00 H +ATOM 1439 HD1 PHE A 94 3.629 -4.760 -10.020 1.00 0.00 H +ATOM 1440 HD2 PHE A 94 0.132 -3.241 -11.884 1.00 0.00 H +ATOM 1441 HE1 PHE A 94 5.008 -3.021 -11.192 1.00 0.00 H +ATOM 1442 HE2 PHE A 94 1.512 -1.502 -13.056 1.00 0.00 H +ATOM 1443 HZ PHE A 94 3.933 -1.413 -12.696 1.00 0.00 H +ATOM 1444 N CYS A 95 1.901 -3.120 -8.016 1.00 0.00 N +ATOM 1445 CA CYS A 95 1.712 -1.856 -7.324 1.00 0.00 C +ATOM 1446 C CYS A 95 2.511 -0.780 -8.061 1.00 0.00 C +ATOM 1447 O CYS A 95 3.741 -0.808 -8.063 1.00 0.00 O +ATOM 1448 CB CYS A 95 2.110 -1.954 -5.850 1.00 0.00 C +ATOM 1449 SG CYS A 95 3.708 -2.830 -5.690 1.00 0.00 S +ATOM 1450 H CYS A 95 2.742 -3.186 -8.553 1.00 0.00 H +ATOM 1451 HA CYS A 95 0.645 -1.637 -7.358 1.00 0.00 H +ATOM 1452 HB2 CYS A 95 2.188 -0.956 -5.419 1.00 0.00 H +ATOM 1453 HB3 CYS A 95 1.338 -2.483 -5.291 1.00 0.00 H +ATOM 1454 HG CYS A 95 4.034 -2.311 -4.510 1.00 0.00 H +ATOM 1455 N ALA A 96 1.780 0.143 -8.669 1.00 0.00 N +ATOM 1456 CA ALA A 96 2.406 1.226 -9.407 1.00 0.00 C +ATOM 1457 C ALA A 96 1.957 2.565 -8.820 1.00 0.00 C +ATOM 1458 O ALA A 96 0.870 2.664 -8.251 1.00 0.00 O +ATOM 1459 CB ALA A 96 2.063 1.097 -10.893 1.00 0.00 C +ATOM 1460 H ALA A 96 0.781 0.158 -8.662 1.00 0.00 H +ATOM 1461 HA ALA A 96 3.485 1.130 -9.287 1.00 0.00 H +ATOM 1462 HB1 ALA A 96 1.026 1.392 -11.053 1.00 0.00 H +ATOM 1463 HB2 ALA A 96 2.718 1.744 -11.475 1.00 0.00 H +ATOM 1464 HB3 ALA A 96 2.199 0.063 -11.208 1.00 0.00 H +ATOM 1465 N PRO A 97 2.838 3.589 -8.981 1.00 0.00 N +ATOM 1466 CA PRO A 97 2.542 4.918 -8.472 1.00 0.00 C +ATOM 1467 C PRO A 97 1.508 5.624 -9.352 1.00 0.00 C +ATOM 1468 O PRO A 97 0.846 4.987 -10.170 1.00 0.00 O +ATOM 1469 CB PRO A 97 3.883 5.634 -8.441 1.00 0.00 C +ATOM 1470 CG PRO A 97 4.798 4.845 -9.363 1.00 0.00 C +ATOM 1471 CD PRO A 97 4.133 3.508 -9.649 1.00 0.00 C +ATOM 1472 HA PRO A 97 2.132 4.858 -7.562 1.00 0.00 H +ATOM 1473 HB2 PRO A 97 3.782 6.665 -8.778 1.00 0.00 H +ATOM 1474 HB3 PRO A 97 4.283 5.667 -7.428 1.00 0.00 H +ATOM 1475 HG2 PRO A 97 4.970 5.392 -10.290 1.00 0.00 H +ATOM 1476 HG3 PRO A 97 5.772 4.695 -8.896 1.00 0.00 H +ATOM 1477 HD2 PRO A 97 4.017 3.345 -10.720 1.00 0.00 H +ATOM 1478 HD3 PRO A 97 4.727 2.680 -9.262 1.00 0.00 H +ATOM 1479 N ASP A 98 1.402 6.929 -9.153 1.00 0.00 N +ATOM 1480 CA ASP A 98 0.459 7.728 -9.917 1.00 0.00 C +ATOM 1481 C ASP A 98 1.199 8.901 -10.564 1.00 0.00 C +ATOM 1482 O ASP A 98 2.419 9.009 -10.450 1.00 0.00 O +ATOM 1483 CB ASP A 98 -0.637 8.300 -9.016 1.00 0.00 C +ATOM 1484 CG ASP A 98 -0.143 9.239 -7.914 1.00 0.00 C +ATOM 1485 OD1 ASP A 98 0.484 8.721 -6.965 1.00 0.00 O +ATOM 1486 OD2 ASP A 98 -0.405 10.455 -8.045 1.00 0.00 O +ATOM 1487 H ASP A 98 1.944 7.439 -8.485 1.00 0.00 H +ATOM 1488 HA ASP A 98 0.036 7.045 -10.654 1.00 0.00 H +ATOM 1489 HB2 ASP A 98 -1.354 8.837 -9.637 1.00 0.00 H +ATOM 1490 HB3 ASP A 98 -1.174 7.472 -8.553 1.00 0.00 H +ATOM 1491 N ARG A 99 0.429 9.751 -11.227 1.00 0.00 N +ATOM 1492 CA ARG A 99 0.996 10.912 -11.892 1.00 0.00 C +ATOM 1493 C ARG A 99 -0.118 11.811 -12.432 1.00 0.00 C +ATOM 1494 O ARG A 99 -0.198 12.051 -13.636 1.00 0.00 O +ATOM 1495 CB ARG A 99 1.910 10.495 -13.046 1.00 0.00 C +ATOM 1496 CG ARG A 99 1.211 9.490 -13.963 1.00 0.00 C +ATOM 1497 CD ARG A 99 2.220 8.530 -14.596 1.00 0.00 C +ATOM 1498 NE ARG A 99 2.008 7.160 -14.077 1.00 0.00 N +ATOM 1499 CZ ARG A 99 2.893 6.162 -14.208 1.00 0.00 C +ATOM 1500 NH1 ARG A 99 4.055 6.375 -14.842 1.00 0.00 N +ATOM 1501 NH2 ARG A 99 2.616 4.951 -13.706 1.00 0.00 N +ATOM 1502 H ARG A 99 -0.562 9.657 -11.315 1.00 0.00 H +ATOM 1503 HA ARG A 99 1.572 11.422 -11.119 1.00 0.00 H +ATOM 1504 HB2 ARG A 99 2.202 11.375 -13.619 1.00 0.00 H +ATOM 1505 HB3 ARG A 99 2.825 10.055 -12.649 1.00 0.00 H +ATOM 1506 HG2 ARG A 99 0.473 8.925 -13.394 1.00 0.00 H +ATOM 1507 HG3 ARG A 99 0.670 10.022 -14.746 1.00 0.00 H +ATOM 1508 HD2 ARG A 99 2.112 8.538 -15.680 1.00 0.00 H +ATOM 1509 HD3 ARG A 99 3.235 8.859 -14.374 1.00 0.00 H +ATOM 1510 HE ARG A 99 1.151 6.967 -13.599 1.00 0.00 H +ATOM 1511 HH11 ARG A 99 4.261 7.279 -15.217 1.00 0.00 H +ATOM 1512 HH12 ARG A 99 4.715 5.631 -14.940 1.00 0.00 H +ATOM 1513 HH21 ARG A 99 1.750 4.792 -13.234 1.00 0.00 H +ATOM 1514 HH22 ARG A 99 3.277 4.206 -13.804 1.00 0.00 H +ATOM 1515 N ASN A 100 -0.950 12.284 -11.516 1.00 0.00 N +ATOM 1516 CA ASN A 100 -2.056 13.151 -11.885 1.00 0.00 C +ATOM 1517 C ASN A 100 -2.560 13.885 -10.641 1.00 0.00 C +ATOM 1518 O ASN A 100 -2.813 15.088 -10.685 1.00 0.00 O +ATOM 1519 CB ASN A 100 -3.220 12.344 -12.463 1.00 0.00 C +ATOM 1520 CG ASN A 100 -2.788 11.579 -13.716 1.00 0.00 C +ATOM 1521 OD1 ASN A 100 -2.368 12.150 -14.709 1.00 0.00 O +ATOM 1522 ND2 ASN A 100 -2.915 10.259 -13.614 1.00 0.00 N +ATOM 1523 H ASN A 100 -0.878 12.084 -10.539 1.00 0.00 H +ATOM 1524 HA ASN A 100 -1.649 13.831 -12.634 1.00 0.00 H +ATOM 1525 HB2 ASN A 100 -3.588 11.643 -11.714 1.00 0.00 H +ATOM 1526 HB3 ASN A 100 -4.045 13.013 -12.707 1.00 0.00 H +ATOM 1527 HD21 ASN A 100 -3.266 9.854 -12.770 1.00 0.00 H +ATOM 1528 HD22 ASN A 100 -2.658 9.672 -14.382 1.00 0.00 H +ATOM 1529 N PHE A 101 -2.693 13.129 -9.561 1.00 0.00 N +ATOM 1530 CA PHE A 101 -3.163 13.692 -8.307 1.00 0.00 C +ATOM 1531 C PHE A 101 -1.996 14.220 -7.471 1.00 0.00 C +ATOM 1532 O PHE A 101 -0.868 14.300 -7.954 1.00 0.00 O +ATOM 1533 CB PHE A 101 -3.855 12.563 -7.540 1.00 0.00 C +ATOM 1534 CG PHE A 101 -4.739 11.669 -8.413 1.00 0.00 C +ATOM 1535 CD1 PHE A 101 -4.195 10.613 -9.075 1.00 0.00 C +ATOM 1536 CD2 PHE A 101 -6.069 11.931 -8.525 1.00 0.00 C +ATOM 1537 CE1 PHE A 101 -5.015 9.784 -9.885 1.00 0.00 C +ATOM 1538 CE2 PHE A 101 -6.889 11.101 -9.335 1.00 0.00 C +ATOM 1539 CZ PHE A 101 -6.345 10.045 -9.997 1.00 0.00 C +ATOM 1540 H PHE A 101 -2.486 12.151 -9.534 1.00 0.00 H +ATOM 1541 HA PHE A 101 -3.833 14.516 -8.553 1.00 0.00 H +ATOM 1542 HB2 PHE A 101 -3.095 11.946 -7.059 1.00 0.00 H +ATOM 1543 HB3 PHE A 101 -4.464 12.995 -6.747 1.00 0.00 H +ATOM 1544 HD1 PHE A 101 -3.129 10.404 -8.985 1.00 0.00 H +ATOM 1545 HD2 PHE A 101 -6.505 12.777 -7.994 1.00 0.00 H +ATOM 1546 HE1 PHE A 101 -4.579 8.938 -10.416 1.00 0.00 H +ATOM 1547 HE2 PHE A 101 -7.955 11.311 -9.425 1.00 0.00 H +ATOM 1548 HZ PHE A 101 -6.975 9.409 -10.619 1.00 0.00 H +ATOM 1549 N ASP A 102 -2.307 14.566 -6.230 1.00 0.00 N +ATOM 1550 CA ASP A 102 -1.297 15.083 -5.322 1.00 0.00 C +ATOM 1551 C ASP A 102 -0.671 13.922 -4.547 1.00 0.00 C +ATOM 1552 O ASP A 102 0.499 13.981 -4.171 1.00 0.00 O +ATOM 1553 CB ASP A 102 -1.912 16.050 -4.308 1.00 0.00 C +ATOM 1554 CG ASP A 102 -2.132 17.474 -4.824 1.00 0.00 C +ATOM 1555 OD1 ASP A 102 -2.510 17.596 -6.009 1.00 0.00 O +ATOM 1556 OD2 ASP A 102 -1.916 18.408 -4.021 1.00 0.00 O +ATOM 1557 H ASP A 102 -3.227 14.497 -5.844 1.00 0.00 H +ATOM 1558 HA ASP A 102 -0.577 15.597 -5.958 1.00 0.00 H +ATOM 1559 HB2 ASP A 102 -2.870 15.648 -3.979 1.00 0.00 H +ATOM 1560 HB3 ASP A 102 -1.266 16.093 -3.431 1.00 0.00 H +ATOM 1561 N ARG A 103 -1.477 12.893 -4.332 1.00 0.00 N +ATOM 1562 CA ARG A 103 -1.016 11.720 -3.609 1.00 0.00 C +ATOM 1563 C ARG A 103 -2.073 10.615 -3.662 1.00 0.00 C +ATOM 1564 O ARG A 103 -2.839 10.438 -2.716 1.00 0.00 O +ATOM 1565 CB ARG A 103 -0.714 12.057 -2.147 1.00 0.00 C +ATOM 1566 CG ARG A 103 -1.977 12.520 -1.419 1.00 0.00 C +ATOM 1567 CD ARG A 103 -1.653 13.616 -0.401 1.00 0.00 C +ATOM 1568 NE ARG A 103 -2.834 14.484 -0.199 1.00 0.00 N +ATOM 1569 CZ ARG A 103 -2.795 15.675 0.413 1.00 0.00 C +ATOM 1570 NH1 ARG A 103 -1.634 16.148 0.885 1.00 0.00 N +ATOM 1571 NH2 ARG A 103 -3.917 16.394 0.552 1.00 0.00 N +ATOM 1572 H ARG A 103 -2.427 12.853 -4.641 1.00 0.00 H +ATOM 1573 HA ARG A 103 -0.104 11.416 -4.123 1.00 0.00 H +ATOM 1574 HB2 ARG A 103 -0.301 11.181 -1.646 1.00 0.00 H +ATOM 1575 HB3 ARG A 103 0.044 12.839 -2.100 1.00 0.00 H +ATOM 1576 HG2 ARG A 103 -2.702 12.893 -2.142 1.00 0.00 H +ATOM 1577 HG3 ARG A 103 -2.440 11.673 -0.912 1.00 0.00 H +ATOM 1578 HD2 ARG A 103 -1.354 13.167 0.546 1.00 0.00 H +ATOM 1579 HD3 ARG A 103 -0.810 14.211 -0.752 1.00 0.00 H +ATOM 1580 HE ARG A 103 -3.717 14.160 -0.539 1.00 0.00 H +ATOM 1581 HH11 ARG A 103 -0.796 15.611 0.781 1.00 0.00 H +ATOM 1582 HH12 ARG A 103 -1.604 17.037 1.342 1.00 0.00 H +ATOM 1583 HH21 ARG A 103 -4.784 16.042 0.200 1.00 0.00 H +ATOM 1584 HH22 ARG A 103 -3.888 17.284 1.009 1.00 0.00 H +ATOM 1585 N ALA A 104 -2.080 9.900 -4.777 1.00 0.00 N +ATOM 1586 CA ALA A 104 -3.030 8.816 -4.966 1.00 0.00 C +ATOM 1587 C ALA A 104 -2.272 7.536 -5.323 1.00 0.00 C +ATOM 1588 O ALA A 104 -1.775 7.395 -6.439 1.00 0.00 O +ATOM 1589 CB ALA A 104 -4.047 9.210 -6.039 1.00 0.00 C +ATOM 1590 H ALA A 104 -1.453 10.050 -5.542 1.00 0.00 H +ATOM 1591 HA ALA A 104 -3.555 8.667 -4.023 1.00 0.00 H +ATOM 1592 HB1 ALA A 104 -4.046 10.294 -6.160 1.00 0.00 H +ATOM 1593 HB2 ALA A 104 -3.778 8.739 -6.985 1.00 0.00 H +ATOM 1594 HB3 ALA A 104 -5.040 8.879 -5.737 1.00 0.00 H +ATOM 1595 N PHE A 105 -2.208 6.635 -4.354 1.00 0.00 N +ATOM 1596 CA PHE A 105 -1.520 5.371 -4.551 1.00 0.00 C +ATOM 1597 C PHE A 105 -2.508 4.202 -4.552 1.00 0.00 C +ATOM 1598 O PHE A 105 -3.471 4.199 -3.787 1.00 0.00 O +ATOM 1599 CB PHE A 105 -0.549 5.202 -3.381 1.00 0.00 C +ATOM 1600 CG PHE A 105 -0.101 3.758 -3.147 1.00 0.00 C +ATOM 1601 CD1 PHE A 105 0.749 3.159 -4.024 1.00 0.00 C +ATOM 1602 CD2 PHE A 105 -0.552 3.072 -2.063 1.00 0.00 C +ATOM 1603 CE1 PHE A 105 1.166 1.819 -3.808 1.00 0.00 C +ATOM 1604 CE2 PHE A 105 -0.136 1.732 -1.846 1.00 0.00 C +ATOM 1605 CZ PHE A 105 0.714 1.134 -2.723 1.00 0.00 C +ATOM 1606 H PHE A 105 -2.615 6.757 -3.449 1.00 0.00 H +ATOM 1607 HA PHE A 105 -1.021 5.422 -5.519 1.00 0.00 H +ATOM 1608 HB2 PHE A 105 0.330 5.820 -3.559 1.00 0.00 H +ATOM 1609 HB3 PHE A 105 -1.023 5.576 -2.473 1.00 0.00 H +ATOM 1610 HD1 PHE A 105 1.111 3.709 -4.893 1.00 0.00 H +ATOM 1611 HD2 PHE A 105 -1.234 3.552 -1.360 1.00 0.00 H +ATOM 1612 HE1 PHE A 105 1.847 1.340 -4.510 1.00 0.00 H +ATOM 1613 HE2 PHE A 105 -0.498 1.183 -0.977 1.00 0.00 H +ATOM 1614 HZ PHE A 105 1.034 0.105 -2.557 1.00 0.00 H +ATOM 1615 N SER A 106 -2.235 3.238 -5.419 1.00 0.00 N +ATOM 1616 CA SER A 106 -3.087 2.067 -5.529 1.00 0.00 C +ATOM 1617 C SER A 106 -2.253 0.847 -5.925 1.00 0.00 C +ATOM 1618 O SER A 106 -1.130 0.989 -6.407 1.00 0.00 O +ATOM 1619 CB SER A 106 -4.209 2.295 -6.544 1.00 0.00 C +ATOM 1620 OG SER A 106 -4.745 1.069 -7.032 1.00 0.00 O +ATOM 1621 H SER A 106 -1.449 3.248 -6.037 1.00 0.00 H +ATOM 1622 HA SER A 106 -3.519 1.930 -4.537 1.00 0.00 H +ATOM 1623 HB2 SER A 106 -5.004 2.880 -6.081 1.00 0.00 H +ATOM 1624 HB3 SER A 106 -3.827 2.882 -7.380 1.00 0.00 H +ATOM 1625 HG SER A 106 -5.366 0.674 -6.355 1.00 0.00 H +ATOM 1626 N TYR A 107 -2.834 -0.323 -5.706 1.00 0.00 N +ATOM 1627 CA TYR A 107 -2.158 -1.567 -6.035 1.00 0.00 C +ATOM 1628 C TYR A 107 -3.167 -2.681 -6.320 1.00 0.00 C +ATOM 1629 O TYR A 107 -4.250 -2.706 -5.738 1.00 0.00 O +ATOM 1630 CB TYR A 107 -1.339 -1.941 -4.797 1.00 0.00 C +ATOM 1631 CG TYR A 107 -2.183 -2.417 -3.613 1.00 0.00 C +ATOM 1632 CD1 TYR A 107 -2.831 -3.633 -3.673 1.00 0.00 C +ATOM 1633 CD2 TYR A 107 -2.296 -1.629 -2.486 1.00 0.00 C +ATOM 1634 CE1 TYR A 107 -3.626 -4.081 -2.558 1.00 0.00 C +ATOM 1635 CE2 TYR A 107 -3.090 -2.077 -1.371 1.00 0.00 C +ATOM 1636 CZ TYR A 107 -3.716 -3.281 -1.462 1.00 0.00 C +ATOM 1637 OH TYR A 107 -4.466 -3.703 -0.410 1.00 0.00 O +ATOM 1638 H TYR A 107 -3.747 -0.430 -5.314 1.00 0.00 H +ATOM 1639 HA TYR A 107 -1.554 -1.397 -6.926 1.00 0.00 H +ATOM 1640 HB2 TYR A 107 -0.633 -2.727 -5.066 1.00 0.00 H +ATOM 1641 HB3 TYR A 107 -0.752 -1.077 -4.488 1.00 0.00 H +ATOM 1642 HD1 TYR A 107 -2.742 -4.256 -4.563 1.00 0.00 H +ATOM 1643 HD2 TYR A 107 -1.783 -0.668 -2.439 1.00 0.00 H +ATOM 1644 HE1 TYR A 107 -4.143 -5.040 -2.592 1.00 0.00 H +ATOM 1645 HE2 TYR A 107 -3.188 -1.464 -0.475 1.00 0.00 H +ATOM 1646 HH TYR A 107 -5.335 -4.075 -0.736 1.00 0.00 H +ATOM 1647 N ILE A 108 -2.775 -3.576 -7.215 1.00 0.00 N +ATOM 1648 CA ILE A 108 -3.632 -4.690 -7.584 1.00 0.00 C +ATOM 1649 C ILE A 108 -3.394 -5.852 -6.619 1.00 0.00 C +ATOM 1650 O ILE A 108 -2.277 -6.053 -6.146 1.00 0.00 O +ATOM 1651 CB ILE A 108 -3.426 -5.059 -9.055 1.00 0.00 C +ATOM 1652 CG1 ILE A 108 -3.477 -3.816 -9.945 1.00 0.00 C +ATOM 1653 CG2 ILE A 108 -4.431 -6.124 -9.498 1.00 0.00 C +ATOM 1654 CD1 ILE A 108 -3.513 -4.203 -11.425 1.00 0.00 C +ATOM 1655 H ILE A 108 -1.892 -3.548 -7.684 1.00 0.00 H +ATOM 1656 HA ILE A 108 -4.664 -4.357 -7.477 1.00 0.00 H +ATOM 1657 HB ILE A 108 -2.431 -5.491 -9.162 1.00 0.00 H +ATOM 1658 HG12 ILE A 108 -4.359 -3.224 -9.699 1.00 0.00 H +ATOM 1659 HG13 ILE A 108 -2.608 -3.189 -9.751 1.00 0.00 H +ATOM 1660 HG21 ILE A 108 -5.283 -5.643 -9.976 1.00 0.00 H +ATOM 1661 HG22 ILE A 108 -3.953 -6.803 -10.205 1.00 0.00 H +ATOM 1662 HG23 ILE A 108 -4.771 -6.687 -8.629 1.00 0.00 H +ATOM 1663 HD11 ILE A 108 -3.508 -3.301 -12.037 1.00 0.00 H +ATOM 1664 HD12 ILE A 108 -2.639 -4.809 -11.664 1.00 0.00 H +ATOM 1665 HD13 ILE A 108 -4.419 -4.775 -11.629 1.00 0.00 H +ATOM 1666 N CYS A 109 -4.464 -6.588 -6.355 1.00 0.00 N +ATOM 1667 CA CYS A 109 -4.386 -7.726 -5.454 1.00 0.00 C +ATOM 1668 C CYS A 109 -5.539 -8.677 -5.780 1.00 0.00 C +ATOM 1669 O CYS A 109 -6.563 -8.256 -6.316 1.00 0.00 O +ATOM 1670 CB CYS A 109 -4.404 -7.288 -3.988 1.00 0.00 C +ATOM 1671 SG CYS A 109 -6.050 -6.614 -3.556 1.00 0.00 S +ATOM 1672 H CYS A 109 -5.369 -6.418 -6.743 1.00 0.00 H +ATOM 1673 HA CYS A 109 -3.425 -8.205 -5.638 1.00 0.00 H +ATOM 1674 HB2 CYS A 109 -4.169 -8.136 -3.344 1.00 0.00 H +ATOM 1675 HB3 CYS A 109 -3.636 -6.534 -3.815 1.00 0.00 H +ATOM 1676 HG CYS A 109 -5.918 -5.479 -4.237 1.00 0.00 H +ATOM 1677 N ARG A 110 -5.334 -9.942 -5.443 1.00 0.00 N +ATOM 1678 CA ARG A 110 -6.344 -10.956 -5.693 1.00 0.00 C +ATOM 1679 C ARG A 110 -7.371 -10.973 -4.560 1.00 0.00 C +ATOM 1680 O ARG A 110 -7.035 -11.280 -3.417 1.00 0.00 O +ATOM 1681 CB ARG A 110 -5.711 -12.343 -5.820 1.00 0.00 C +ATOM 1682 CG ARG A 110 -6.764 -13.396 -6.172 1.00 0.00 C +ATOM 1683 CD ARG A 110 -6.658 -14.609 -5.247 1.00 0.00 C +ATOM 1684 NE ARG A 110 -5.604 -15.527 -5.735 1.00 0.00 N +ATOM 1685 CZ ARG A 110 -5.673 -16.204 -6.889 1.00 0.00 C +ATOM 1686 NH1 ARG A 110 -6.746 -16.071 -7.681 1.00 0.00 N +ATOM 1687 NH2 ARG A 110 -4.670 -17.015 -7.252 1.00 0.00 N +ATOM 1688 H ARG A 110 -4.498 -10.276 -5.007 1.00 0.00 H +ATOM 1689 HA ARG A 110 -6.805 -10.663 -6.636 1.00 0.00 H +ATOM 1690 HB2 ARG A 110 -4.938 -12.326 -6.588 1.00 0.00 H +ATOM 1691 HB3 ARG A 110 -5.223 -12.611 -4.883 1.00 0.00 H +ATOM 1692 HG2 ARG A 110 -7.760 -12.960 -6.093 1.00 0.00 H +ATOM 1693 HG3 ARG A 110 -6.636 -13.711 -7.208 1.00 0.00 H +ATOM 1694 HD2 ARG A 110 -6.427 -14.284 -4.232 1.00 0.00 H +ATOM 1695 HD3 ARG A 110 -7.614 -15.130 -5.205 1.00 0.00 H +ATOM 1696 HE ARG A 110 -4.790 -15.650 -5.168 1.00 0.00 H +ATOM 1697 HH11 ARG A 110 -7.495 -15.466 -7.410 1.00 0.00 H +ATOM 1698 HH12 ARG A 110 -6.798 -16.576 -8.542 1.00 0.00 H +ATOM 1699 HH21 ARG A 110 -3.869 -17.115 -6.661 1.00 0.00 H +ATOM 1700 HH22 ARG A 110 -4.722 -17.521 -8.113 1.00 0.00 H +ATOM 1701 N ASP A 111 -8.603 -10.639 -4.916 1.00 0.00 N +ATOM 1702 CA ASP A 111 -9.682 -10.612 -3.943 1.00 0.00 C +ATOM 1703 C ASP A 111 -9.579 -11.843 -3.040 1.00 0.00 C +ATOM 1704 O ASP A 111 -9.008 -12.859 -3.432 1.00 0.00 O +ATOM 1705 CB ASP A 111 -11.047 -10.645 -4.633 1.00 0.00 C +ATOM 1706 CG ASP A 111 -12.223 -10.200 -3.761 1.00 0.00 C +ATOM 1707 OD1 ASP A 111 -11.961 -9.852 -2.589 1.00 0.00 O +ATOM 1708 OD2 ASP A 111 -13.357 -10.219 -4.286 1.00 0.00 O +ATOM 1709 H ASP A 111 -8.868 -10.390 -5.847 1.00 0.00 H +ATOM 1710 HA ASP A 111 -9.549 -9.680 -3.394 1.00 0.00 H +ATOM 1711 HB2 ASP A 111 -11.007 -10.006 -5.515 1.00 0.00 H +ATOM 1712 HB3 ASP A 111 -11.237 -11.659 -4.982 1.00 0.00 H +ATOM 1713 N GLY A 112 -10.142 -11.711 -1.847 1.00 0.00 N +ATOM 1714 CA GLY A 112 -10.121 -12.800 -0.885 1.00 0.00 C +ATOM 1715 C GLY A 112 -11.521 -13.067 -0.329 1.00 0.00 C +ATOM 1716 O GLY A 112 -11.677 -13.353 0.857 1.00 0.00 O +ATOM 1717 H GLY A 112 -10.605 -10.881 -1.536 1.00 0.00 H +ATOM 1718 HA2 GLY A 112 -9.736 -13.703 -1.361 1.00 0.00 H +ATOM 1719 HA3 GLY A 112 -9.441 -12.556 -0.069 1.00 0.00 H +ATOM 1720 N THR A 113 -12.503 -12.965 -1.212 1.00 0.00 N +ATOM 1721 CA THR A 113 -13.885 -13.191 -0.823 1.00 0.00 C +ATOM 1722 C THR A 113 -14.644 -13.905 -1.944 1.00 0.00 C +ATOM 1723 O THR A 113 -15.292 -14.924 -1.709 1.00 0.00 O +ATOM 1724 CB THR A 113 -14.496 -11.842 -0.440 1.00 0.00 C +ATOM 1725 OG1 THR A 113 -13.945 -10.930 -1.386 1.00 0.00 O +ATOM 1726 CG2 THR A 113 -13.987 -11.331 0.909 1.00 0.00 C +ATOM 1727 H THR A 113 -12.368 -12.732 -2.175 1.00 0.00 H +ATOM 1728 HA THR A 113 -13.894 -13.854 0.042 1.00 0.00 H +ATOM 1729 HB THR A 113 -15.585 -11.890 -0.453 1.00 0.00 H +ATOM 1730 HG1 THR A 113 -12.948 -10.926 -1.317 1.00 0.00 H +ATOM 1731 HG21 THR A 113 -12.920 -11.534 0.996 1.00 0.00 H +ATOM 1732 HG22 THR A 113 -14.159 -10.257 0.980 1.00 0.00 H +ATOM 1733 HG23 THR A 113 -14.519 -11.838 1.714 1.00 0.00 H +ATOM 1734 N THR A 114 -14.537 -13.343 -3.139 1.00 0.00 N +ATOM 1735 CA THR A 114 -15.205 -13.913 -4.297 1.00 0.00 C +ATOM 1736 C THR A 114 -14.263 -14.861 -5.043 1.00 0.00 C +ATOM 1737 O THR A 114 -14.035 -15.987 -4.604 1.00 0.00 O +ATOM 1738 CB THR A 114 -15.717 -12.760 -5.162 1.00 0.00 C +ATOM 1739 OG1 THR A 114 -16.735 -12.156 -4.368 1.00 0.00 O +ATOM 1740 CG2 THR A 114 -16.458 -13.248 -6.409 1.00 0.00 C +ATOM 1741 H THR A 114 -14.007 -12.515 -3.322 1.00 0.00 H +ATOM 1742 HA THR A 114 -16.048 -14.509 -3.948 1.00 0.00 H +ATOM 1743 HB THR A 114 -14.905 -12.084 -5.431 1.00 0.00 H +ATOM 1744 HG1 THR A 114 -16.361 -11.373 -3.871 1.00 0.00 H +ATOM 1745 HG21 THR A 114 -17.394 -12.700 -6.513 1.00 0.00 H +ATOM 1746 HG22 THR A 114 -15.838 -13.079 -7.289 1.00 0.00 H +ATOM 1747 HG23 THR A 114 -16.669 -14.313 -6.312 1.00 0.00 H +ATOM 1748 N ARG A 115 -13.742 -14.369 -6.157 1.00 0.00 N +ATOM 1749 CA ARG A 115 -12.830 -15.158 -6.968 1.00 0.00 C +ATOM 1750 C ARG A 115 -12.341 -14.340 -8.165 1.00 0.00 C +ATOM 1751 O ARG A 115 -12.352 -14.822 -9.297 1.00 0.00 O +ATOM 1752 CB ARG A 115 -13.506 -16.434 -7.474 1.00 0.00 C +ATOM 1753 CG ARG A 115 -14.989 -16.191 -7.765 1.00 0.00 C +ATOM 1754 CD ARG A 115 -15.417 -16.896 -9.054 1.00 0.00 C +ATOM 1755 NE ARG A 115 -15.270 -18.361 -8.902 1.00 0.00 N +ATOM 1756 CZ ARG A 115 -15.499 -19.244 -9.884 1.00 0.00 C +ATOM 1757 NH1 ARG A 115 -15.886 -18.817 -11.093 1.00 0.00 N +ATOM 1758 NH2 ARG A 115 -15.340 -20.555 -9.655 1.00 0.00 N +ATOM 1759 H ARG A 115 -13.933 -13.452 -6.507 1.00 0.00 H +ATOM 1760 HA ARG A 115 -12.006 -15.406 -6.300 1.00 0.00 H +ATOM 1761 HB2 ARG A 115 -13.007 -16.781 -8.378 1.00 0.00 H +ATOM 1762 HB3 ARG A 115 -13.403 -17.224 -6.729 1.00 0.00 H +ATOM 1763 HG2 ARG A 115 -15.591 -16.552 -6.931 1.00 0.00 H +ATOM 1764 HG3 ARG A 115 -15.175 -15.121 -7.853 1.00 0.00 H +ATOM 1765 HD2 ARG A 115 -16.452 -16.648 -9.287 1.00 0.00 H +ATOM 1766 HD3 ARG A 115 -14.810 -16.546 -9.889 1.00 0.00 H +ATOM 1767 HE ARG A 115 -14.983 -18.714 -8.012 1.00 0.00 H +ATOM 1768 HH11 ARG A 115 -16.004 -17.839 -11.263 1.00 0.00 H +ATOM 1769 HH12 ARG A 115 -16.056 -19.476 -11.826 1.00 0.00 H +ATOM 1770 HH21 ARG A 115 -15.052 -20.874 -8.753 1.00 0.00 H +ATOM 1771 HH22 ARG A 115 -15.511 -21.215 -10.388 1.00 0.00 H +ATOM 1772 N ARG A 116 -11.925 -13.117 -7.875 1.00 0.00 N +ATOM 1773 CA ARG A 116 -11.433 -12.227 -8.913 1.00 0.00 C +ATOM 1774 C ARG A 116 -10.263 -11.393 -8.387 1.00 0.00 C +ATOM 1775 O ARG A 116 -9.732 -11.670 -7.312 1.00 0.00 O +ATOM 1776 CB ARG A 116 -12.538 -11.290 -9.404 1.00 0.00 C +ATOM 1777 CG ARG A 116 -12.937 -10.293 -8.314 1.00 0.00 C +ATOM 1778 CD ARG A 116 -13.821 -9.182 -8.884 1.00 0.00 C +ATOM 1779 NE ARG A 116 -13.391 -8.849 -10.260 1.00 0.00 N +ATOM 1780 CZ ARG A 116 -13.880 -9.433 -11.362 1.00 0.00 C +ATOM 1781 NH1 ARG A 116 -14.819 -10.383 -11.256 1.00 0.00 N +ATOM 1782 NH2 ARG A 116 -13.431 -9.068 -12.571 1.00 0.00 N +ATOM 1783 H ARG A 116 -11.920 -12.732 -6.951 1.00 0.00 H +ATOM 1784 HA ARG A 116 -11.112 -12.889 -9.718 1.00 0.00 H +ATOM 1785 HB2 ARG A 116 -12.196 -10.750 -10.288 1.00 0.00 H +ATOM 1786 HB3 ARG A 116 -13.408 -11.874 -9.705 1.00 0.00 H +ATOM 1787 HG2 ARG A 116 -13.469 -10.814 -7.518 1.00 0.00 H +ATOM 1788 HG3 ARG A 116 -12.042 -9.859 -7.868 1.00 0.00 H +ATOM 1789 HD2 ARG A 116 -14.863 -9.501 -8.887 1.00 0.00 H +ATOM 1790 HD3 ARG A 116 -13.760 -8.297 -8.251 1.00 0.00 H +ATOM 1791 HE ARG A 116 -12.691 -8.144 -10.375 1.00 0.00 H +ATOM 1792 HH11 ARG A 116 -15.155 -10.656 -10.355 1.00 0.00 H +ATOM 1793 HH12 ARG A 116 -15.185 -10.819 -12.079 1.00 0.00 H +ATOM 1794 HH21 ARG A 116 -12.730 -8.359 -12.650 1.00 0.00 H +ATOM 1795 HH22 ARG A 116 -13.796 -9.504 -13.393 1.00 0.00 H +ATOM 1796 N TRP A 117 -9.895 -10.389 -9.169 1.00 0.00 N +ATOM 1797 CA TRP A 117 -8.798 -9.513 -8.795 1.00 0.00 C +ATOM 1798 C TRP A 117 -9.392 -8.179 -8.338 1.00 0.00 C +ATOM 1799 O TRP A 117 -10.353 -7.688 -8.929 1.00 0.00 O +ATOM 1800 CB TRP A 117 -7.802 -9.360 -9.946 1.00 0.00 C +ATOM 1801 CG TRP A 117 -7.330 -10.688 -10.542 1.00 0.00 C +ATOM 1802 CD1 TRP A 117 -8.003 -11.512 -11.357 1.00 0.00 C +ATOM 1803 CD2 TRP A 117 -6.047 -11.316 -10.335 1.00 0.00 C +ATOM 1804 NE1 TRP A 117 -7.251 -12.621 -11.689 1.00 0.00 N +ATOM 1805 CE2 TRP A 117 -6.024 -12.497 -11.047 1.00 0.00 C +ATOM 1806 CE3 TRP A 117 -4.943 -10.899 -9.571 1.00 0.00 C +ATOM 1807 CZ2 TRP A 117 -4.921 -13.360 -11.066 1.00 0.00 C +ATOM 1808 CZ3 TRP A 117 -3.849 -11.772 -9.600 1.00 0.00 C +ATOM 1809 CH2 TRP A 117 -3.809 -12.965 -10.312 1.00 0.00 C +ATOM 1810 H TRP A 117 -10.332 -10.170 -10.041 1.00 0.00 H +ATOM 1811 HA TRP A 117 -8.261 -9.984 -7.972 1.00 0.00 H +ATOM 1812 HB2 TRP A 117 -8.261 -8.763 -10.734 1.00 0.00 H +ATOM 1813 HB3 TRP A 117 -6.934 -8.804 -9.591 1.00 0.00 H +ATOM 1814 HD1 TRP A 117 -9.017 -11.330 -11.713 1.00 0.00 H +ATOM 1815 HE1 TRP A 117 -7.562 -13.441 -12.335 1.00 0.00 H +ATOM 1816 HE3 TRP A 117 -4.937 -9.971 -8.999 1.00 0.00 H +ATOM 1817 HZ2 TRP A 117 -4.927 -14.288 -11.638 1.00 0.00 H +ATOM 1818 HZ3 TRP A 117 -2.965 -11.496 -9.024 1.00 0.00 H +ATOM 1819 HH2 TRP A 117 -2.917 -13.590 -10.284 1.00 0.00 H +ATOM 1820 N ILE A 118 -8.796 -7.631 -7.289 1.00 0.00 N +ATOM 1821 CA ILE A 118 -9.254 -6.363 -6.746 1.00 0.00 C +ATOM 1822 C ILE A 118 -8.061 -5.417 -6.593 1.00 0.00 C +ATOM 1823 O ILE A 118 -6.943 -5.859 -6.333 1.00 0.00 O +ATOM 1824 CB ILE A 118 -10.032 -6.587 -5.448 1.00 0.00 C +ATOM 1825 CG1 ILE A 118 -11.217 -7.528 -5.673 1.00 0.00 C +ATOM 1826 CG2 ILE A 118 -10.466 -5.255 -4.832 1.00 0.00 C +ATOM 1827 CD1 ILE A 118 -12.503 -6.740 -5.927 1.00 0.00 C +ATOM 1828 H ILE A 118 -8.015 -8.036 -6.814 1.00 0.00 H +ATOM 1829 HA ILE A 118 -9.948 -5.931 -7.467 1.00 0.00 H +ATOM 1830 HB ILE A 118 -9.368 -7.071 -4.731 1.00 0.00 H +ATOM 1831 HG12 ILE A 118 -11.011 -8.180 -6.523 1.00 0.00 H +ATOM 1832 HG13 ILE A 118 -11.346 -8.171 -4.803 1.00 0.00 H +ATOM 1833 HG21 ILE A 118 -10.944 -5.438 -3.870 1.00 0.00 H +ATOM 1834 HG22 ILE A 118 -9.593 -4.619 -4.690 1.00 0.00 H +ATOM 1835 HG23 ILE A 118 -11.172 -4.760 -5.500 1.00 0.00 H +ATOM 1836 HD11 ILE A 118 -13.335 -7.432 -6.054 1.00 0.00 H +ATOM 1837 HD12 ILE A 118 -12.701 -6.085 -5.079 1.00 0.00 H +ATOM 1838 HD13 ILE A 118 -12.389 -6.139 -6.830 1.00 0.00 H +ATOM 1839 N CYS A 119 -8.340 -4.133 -6.762 1.00 0.00 N +ATOM 1840 CA CYS A 119 -7.304 -3.121 -6.647 1.00 0.00 C +ATOM 1841 C CYS A 119 -7.677 -2.181 -5.499 1.00 0.00 C +ATOM 1842 O CYS A 119 -8.849 -1.861 -5.309 1.00 0.00 O +ATOM 1843 CB CYS A 119 -7.102 -2.365 -7.961 1.00 0.00 C +ATOM 1844 SG CYS A 119 -5.492 -1.495 -7.942 1.00 0.00 S +ATOM 1845 H CYS A 119 -9.252 -3.782 -6.974 1.00 0.00 H +ATOM 1846 HA CYS A 119 -6.375 -3.648 -6.429 1.00 0.00 H +ATOM 1847 HB2 CYS A 119 -7.139 -3.060 -8.800 1.00 0.00 H +ATOM 1848 HB3 CYS A 119 -7.911 -1.648 -8.106 1.00 0.00 H +ATOM 1849 HG CYS A 119 -5.936 -0.369 -8.493 1.00 0.00 H +ATOM 1850 N HIS A 120 -6.657 -1.764 -4.762 1.00 0.00 N +ATOM 1851 CA HIS A 120 -6.863 -0.867 -3.638 1.00 0.00 C +ATOM 1852 C HIS A 120 -6.215 0.487 -3.936 1.00 0.00 C +ATOM 1853 O HIS A 120 -5.289 0.572 -4.742 1.00 0.00 O +ATOM 1854 CB HIS A 120 -6.353 -1.496 -2.340 1.00 0.00 C +ATOM 1855 CG HIS A 120 -7.197 -2.644 -1.841 1.00 0.00 C +ATOM 1856 ND1 HIS A 120 -7.815 -2.638 -0.603 1.00 0.00 N +ATOM 1857 CD2 HIS A 120 -7.518 -3.834 -2.426 1.00 0.00 C +ATOM 1858 CE1 HIS A 120 -8.476 -3.777 -0.460 1.00 0.00 C +ATOM 1859 NE2 HIS A 120 -8.289 -4.518 -1.590 1.00 0.00 N +ATOM 1860 H HIS A 120 -5.706 -2.029 -4.923 1.00 0.00 H +ATOM 1861 HA HIS A 120 -7.940 -0.730 -3.540 1.00 0.00 H +ATOM 1862 HB2 HIS A 120 -5.333 -1.848 -2.496 1.00 0.00 H +ATOM 1863 HB3 HIS A 120 -6.310 -0.727 -1.568 1.00 0.00 H +ATOM 1864 HD1 HIS A 120 -7.772 -1.898 0.068 1.00 0.00 H +ATOM 1865 HD2 HIS A 120 -7.195 -4.167 -3.413 1.00 0.00 H +ATOM 1866 HE1 HIS A 120 -9.064 -4.072 0.409 1.00 0.00 H +ATOM 1867 N CYS A 121 -6.727 1.512 -3.271 1.00 0.00 N +ATOM 1868 CA CYS A 121 -6.209 2.857 -3.454 1.00 0.00 C +ATOM 1869 C CYS A 121 -6.103 3.522 -2.081 1.00 0.00 C +ATOM 1870 O CYS A 121 -6.855 3.189 -1.166 1.00 0.00 O +ATOM 1871 CB CYS A 121 -7.077 3.670 -4.417 1.00 0.00 C +ATOM 1872 SG CYS A 121 -7.588 2.628 -5.832 1.00 0.00 S +ATOM 1873 H CYS A 121 -7.480 1.434 -2.618 1.00 0.00 H +ATOM 1874 HA CYS A 121 -5.225 2.754 -3.912 1.00 0.00 H +ATOM 1875 HB2 CYS A 121 -7.957 4.048 -3.896 1.00 0.00 H +ATOM 1876 HB3 CYS A 121 -6.522 4.537 -4.775 1.00 0.00 H +ATOM 1877 HG CYS A 121 -7.610 3.611 -6.728 1.00 0.00 H +ATOM 1878 N PHE A 122 -5.164 4.451 -1.979 1.00 0.00 N +ATOM 1879 CA PHE A 122 -4.949 5.166 -0.733 1.00 0.00 C +ATOM 1880 C PHE A 122 -4.478 6.597 -0.996 1.00 0.00 C +ATOM 1881 O PHE A 122 -3.460 6.808 -1.655 1.00 0.00 O +ATOM 1882 CB PHE A 122 -3.858 4.414 0.032 1.00 0.00 C +ATOM 1883 CG PHE A 122 -4.185 2.943 0.298 1.00 0.00 C +ATOM 1884 CD1 PHE A 122 -4.115 2.038 -0.714 1.00 0.00 C +ATOM 1885 CD2 PHE A 122 -4.545 2.542 1.546 1.00 0.00 C +ATOM 1886 CE1 PHE A 122 -4.418 0.672 -0.468 1.00 0.00 C +ATOM 1887 CE2 PHE A 122 -4.848 1.176 1.793 1.00 0.00 C +ATOM 1888 CZ PHE A 122 -4.778 0.271 0.781 1.00 0.00 C +ATOM 1889 H PHE A 122 -4.556 4.715 -2.728 1.00 0.00 H +ATOM 1890 HA PHE A 122 -5.903 5.190 -0.206 1.00 0.00 H +ATOM 1891 HB2 PHE A 122 -2.927 4.473 -0.532 1.00 0.00 H +ATOM 1892 HB3 PHE A 122 -3.686 4.915 0.985 1.00 0.00 H +ATOM 1893 HD1 PHE A 122 -3.826 2.360 -1.715 1.00 0.00 H +ATOM 1894 HD2 PHE A 122 -4.601 3.267 2.357 1.00 0.00 H +ATOM 1895 HE1 PHE A 122 -4.362 -0.053 -1.279 1.00 0.00 H +ATOM 1896 HE2 PHE A 122 -5.137 0.854 2.793 1.00 0.00 H +ATOM 1897 HZ PHE A 122 -5.011 -0.777 0.970 1.00 0.00 H +ATOM 1898 N MET A 123 -5.239 7.544 -0.468 1.00 0.00 N +ATOM 1899 CA MET A 123 -4.912 8.949 -0.637 1.00 0.00 C +ATOM 1900 C MET A 123 -4.033 9.450 0.511 1.00 0.00 C +ATOM 1901 O MET A 123 -4.534 9.763 1.590 1.00 0.00 O +ATOM 1902 CB MET A 123 -6.202 9.771 -0.689 1.00 0.00 C +ATOM 1903 CG MET A 123 -6.514 10.211 -2.121 1.00 0.00 C +ATOM 1904 SD MET A 123 -5.730 11.777 -2.463 1.00 0.00 S +ATOM 1905 CE MET A 123 -5.565 11.660 -4.237 1.00 0.00 C +ATOM 1906 H MET A 123 -6.065 7.364 0.067 1.00 0.00 H +ATOM 1907 HA MET A 123 -4.364 9.011 -1.577 1.00 0.00 H +ATOM 1908 HB2 MET A 123 -7.030 9.180 -0.297 1.00 0.00 H +ATOM 1909 HB3 MET A 123 -6.104 10.648 -0.048 1.00 0.00 H +ATOM 1910 HG2 MET A 123 -6.164 9.458 -2.826 1.00 0.00 H +ATOM 1911 HG3 MET A 123 -7.592 10.298 -2.256 1.00 0.00 H +ATOM 1912 HE1 MET A 123 -4.597 11.224 -4.484 1.00 0.00 H +ATOM 1913 HE2 MET A 123 -6.360 11.030 -4.635 1.00 0.00 H +ATOM 1914 HE3 MET A 123 -5.637 12.656 -4.675 1.00 0.00 H +ATOM 1915 N ALA A 124 -2.738 9.509 0.239 1.00 0.00 N +ATOM 1916 CA ALA A 124 -1.784 9.966 1.236 1.00 0.00 C +ATOM 1917 C ALA A 124 -2.324 11.230 1.910 1.00 0.00 C +ATOM 1918 O ALA A 124 -3.165 11.928 1.345 1.00 0.00 O +ATOM 1919 CB ALA A 124 -0.424 10.194 0.574 1.00 0.00 C +ATOM 1920 H ALA A 124 -2.339 9.252 -0.641 1.00 0.00 H +ATOM 1921 HA ALA A 124 -1.684 9.180 1.984 1.00 0.00 H +ATOM 1922 HB1 ALA A 124 -0.302 11.254 0.349 1.00 0.00 H +ATOM 1923 HB2 ALA A 124 0.368 9.873 1.252 1.00 0.00 H +ATOM 1924 HB3 ALA A 124 -0.368 9.618 -0.349 1.00 0.00 H +ATOM 1925 N VAL A 125 -1.818 11.485 3.107 1.00 0.00 N +ATOM 1926 CA VAL A 125 -2.238 12.652 3.864 1.00 0.00 C +ATOM 1927 C VAL A 125 -1.273 13.807 3.590 1.00 0.00 C +ATOM 1928 O VAL A 125 -1.661 14.821 3.012 1.00 0.00 O +ATOM 1929 CB VAL A 125 -2.345 12.302 5.350 1.00 0.00 C +ATOM 1930 CG1 VAL A 125 -2.448 13.566 6.205 1.00 0.00 C +ATOM 1931 CG2 VAL A 125 -3.529 11.367 5.609 1.00 0.00 C +ATOM 1932 H VAL A 125 -1.134 10.912 3.559 1.00 0.00 H +ATOM 1933 HA VAL A 125 -3.231 12.933 3.511 1.00 0.00 H +ATOM 1934 HB VAL A 125 -1.435 11.776 5.636 1.00 0.00 H +ATOM 1935 HG11 VAL A 125 -2.990 13.340 7.123 1.00 0.00 H +ATOM 1936 HG12 VAL A 125 -1.447 13.920 6.452 1.00 0.00 H +ATOM 1937 HG13 VAL A 125 -2.980 14.338 5.649 1.00 0.00 H +ATOM 1938 HG21 VAL A 125 -3.277 10.677 6.414 1.00 0.00 H +ATOM 1939 HG22 VAL A 125 -4.401 11.955 5.894 1.00 0.00 H +ATOM 1940 HG23 VAL A 125 -3.751 10.803 4.703 1.00 0.00 H +ATOM 1941 N LYS A 126 -0.034 13.615 4.019 1.00 0.00 N +ATOM 1942 CA LYS A 126 0.990 14.628 3.827 1.00 0.00 C +ATOM 1943 C LYS A 126 2.205 13.996 3.145 1.00 0.00 C +ATOM 1944 O LYS A 126 3.344 14.279 3.513 1.00 0.00 O +ATOM 1945 CB LYS A 126 1.318 15.316 5.154 1.00 0.00 C +ATOM 1946 CG LYS A 126 1.916 14.324 6.153 1.00 0.00 C +ATOM 1947 CD LYS A 126 1.838 14.869 7.580 1.00 0.00 C +ATOM 1948 CE LYS A 126 3.227 14.932 8.219 1.00 0.00 C +ATOM 1949 NZ LYS A 126 3.135 15.431 9.610 1.00 0.00 N +ATOM 1950 H LYS A 126 0.273 12.787 4.488 1.00 0.00 H +ATOM 1951 HA LYS A 126 0.577 15.388 3.163 1.00 0.00 H +ATOM 1952 HB2 LYS A 126 2.020 16.132 4.981 1.00 0.00 H +ATOM 1953 HB3 LYS A 126 0.413 15.758 5.571 1.00 0.00 H +ATOM 1954 HG2 LYS A 126 1.382 13.375 6.092 1.00 0.00 H +ATOM 1955 HG3 LYS A 126 2.955 14.122 5.893 1.00 0.00 H +ATOM 1956 HD2 LYS A 126 1.393 15.864 7.570 1.00 0.00 H +ATOM 1957 HD3 LYS A 126 1.186 14.234 8.181 1.00 0.00 H +ATOM 1958 HE2 LYS A 126 3.683 13.942 8.211 1.00 0.00 H +ATOM 1959 HE3 LYS A 126 3.873 15.586 7.634 1.00 0.00 H +ATOM 1960 HZ1 LYS A 126 3.611 16.307 9.682 1.00 0.00 H +ATOM 1961 HZ2 LYS A 126 2.174 15.552 9.858 1.00 0.00 H +ATOM 1962 HZ3 LYS A 126 3.558 14.769 10.230 1.00 0.00 H +ATOM 1963 N ASP A 127 1.921 13.153 2.164 1.00 0.00 N +ATOM 1964 CA ASP A 127 2.976 12.478 1.427 1.00 0.00 C +ATOM 1965 C ASP A 127 2.541 12.298 -0.029 1.00 0.00 C +ATOM 1966 O ASP A 127 1.501 12.811 -0.437 1.00 0.00 O +ATOM 1967 CB ASP A 127 3.257 11.093 2.012 1.00 0.00 C +ATOM 1968 CG ASP A 127 3.367 11.044 3.537 1.00 0.00 C +ATOM 1969 OD1 ASP A 127 4.393 11.542 4.048 1.00 0.00 O +ATOM 1970 OD2 ASP A 127 2.422 10.511 4.157 1.00 0.00 O +ATOM 1971 H ASP A 127 0.991 12.928 1.871 1.00 0.00 H +ATOM 1972 HA ASP A 127 3.850 13.123 1.525 1.00 0.00 H +ATOM 1973 HB2 ASP A 127 2.464 10.415 1.698 1.00 0.00 H +ATOM 1974 HB3 ASP A 127 4.186 10.716 1.583 1.00 0.00 H +ATOM 1975 N THR A 128 3.360 11.568 -0.771 1.00 0.00 N +ATOM 1976 CA THR A 128 3.073 11.314 -2.173 1.00 0.00 C +ATOM 1977 C THR A 128 3.035 9.808 -2.445 1.00 0.00 C +ATOM 1978 O THR A 128 3.739 9.038 -1.793 1.00 0.00 O +ATOM 1979 CB THR A 128 4.115 12.056 -3.011 1.00 0.00 C +ATOM 1980 OG1 THR A 128 3.892 11.587 -4.338 1.00 0.00 O +ATOM 1981 CG2 THR A 128 5.545 11.613 -2.695 1.00 0.00 C +ATOM 1982 H THR A 128 4.205 11.155 -0.431 1.00 0.00 H +ATOM 1983 HA THR A 128 2.081 11.704 -2.397 1.00 0.00 H +ATOM 1984 HB THR A 128 4.008 13.135 -2.899 1.00 0.00 H +ATOM 1985 HG1 THR A 128 4.328 12.201 -4.996 1.00 0.00 H +ATOM 1986 HG21 THR A 128 6.181 11.792 -3.562 1.00 0.00 H +ATOM 1987 HG22 THR A 128 5.922 12.180 -1.845 1.00 0.00 H +ATOM 1988 HG23 THR A 128 5.551 10.550 -2.454 1.00 0.00 H +ATOM 1989 N GLY A 129 2.206 9.434 -3.409 1.00 0.00 N +ATOM 1990 CA GLY A 129 2.067 8.035 -3.775 1.00 0.00 C +ATOM 1991 C GLY A 129 3.436 7.365 -3.911 1.00 0.00 C +ATOM 1992 O GLY A 129 3.615 6.221 -3.496 1.00 0.00 O +ATOM 1993 H GLY A 129 1.637 10.067 -3.934 1.00 0.00 H +ATOM 1994 HA2 GLY A 129 1.477 7.515 -3.020 1.00 0.00 H +ATOM 1995 HA3 GLY A 129 1.524 7.954 -4.716 1.00 0.00 H +ATOM 1996 N GLU A 130 4.367 8.107 -4.492 1.00 0.00 N +ATOM 1997 CA GLU A 130 5.714 7.599 -4.688 1.00 0.00 C +ATOM 1998 C GLU A 130 6.205 6.895 -3.421 1.00 0.00 C +ATOM 1999 O GLU A 130 6.504 5.702 -3.446 1.00 0.00 O +ATOM 2000 CB GLU A 130 6.670 8.722 -5.096 1.00 0.00 C +ATOM 2001 CG GLU A 130 7.338 8.413 -6.437 1.00 0.00 C +ATOM 2002 CD GLU A 130 6.353 8.593 -7.595 1.00 0.00 C +ATOM 2003 OE1 GLU A 130 5.706 9.663 -7.628 1.00 0.00 O +ATOM 2004 OE2 GLU A 130 6.269 7.658 -8.419 1.00 0.00 O +ATOM 2005 H GLU A 130 4.213 9.037 -4.826 1.00 0.00 H +ATOM 2006 HA GLU A 130 5.637 6.881 -5.504 1.00 0.00 H +ATOM 2007 HB2 GLU A 130 6.123 9.662 -5.166 1.00 0.00 H +ATOM 2008 HB3 GLU A 130 7.432 8.853 -4.328 1.00 0.00 H +ATOM 2009 HG2 GLU A 130 8.196 9.070 -6.580 1.00 0.00 H +ATOM 2010 HG3 GLU A 130 7.715 7.391 -6.433 1.00 0.00 H +ATOM 2011 N ARG A 131 6.273 7.663 -2.344 1.00 0.00 N +ATOM 2012 CA ARG A 131 6.723 7.128 -1.070 1.00 0.00 C +ATOM 2013 C ARG A 131 5.967 5.839 -0.740 1.00 0.00 C +ATOM 2014 O ARG A 131 6.572 4.847 -0.335 1.00 0.00 O +ATOM 2015 CB ARG A 131 6.510 8.139 0.058 1.00 0.00 C +ATOM 2016 CG ARG A 131 7.244 9.449 -0.234 1.00 0.00 C +ATOM 2017 CD ARG A 131 7.764 10.086 1.056 1.00 0.00 C +ATOM 2018 NE ARG A 131 7.032 11.343 1.331 1.00 0.00 N +ATOM 2019 CZ ARG A 131 7.152 12.458 0.598 1.00 0.00 C +ATOM 2020 NH1 ARG A 131 7.976 12.480 -0.458 1.00 0.00 N +ATOM 2021 NH2 ARG A 131 6.448 13.552 0.922 1.00 0.00 N +ATOM 2022 H ARG A 131 6.028 8.633 -2.332 1.00 0.00 H +ATOM 2023 HA ARG A 131 7.786 6.935 -1.209 1.00 0.00 H +ATOM 2024 HB2 ARG A 131 5.444 8.334 0.180 1.00 0.00 H +ATOM 2025 HB3 ARG A 131 6.867 7.720 0.999 1.00 0.00 H +ATOM 2026 HG2 ARG A 131 8.076 9.261 -0.912 1.00 0.00 H +ATOM 2027 HG3 ARG A 131 6.571 10.142 -0.740 1.00 0.00 H +ATOM 2028 HD2 ARG A 131 7.640 9.394 1.889 1.00 0.00 H +ATOM 2029 HD3 ARG A 131 8.831 10.289 0.967 1.00 0.00 H +ATOM 2030 HE ARG A 131 6.408 11.361 2.113 1.00 0.00 H +ATOM 2031 HH11 ARG A 131 8.501 11.664 -0.700 1.00 0.00 H +ATOM 2032 HH12 ARG A 131 8.065 13.312 -1.005 1.00 0.00 H +ATOM 2033 HH21 ARG A 131 5.833 13.535 1.710 1.00 0.00 H +ATOM 2034 HH22 ARG A 131 6.538 14.384 0.375 1.00 0.00 H +ATOM 2035 N LEU A 132 4.657 5.895 -0.925 1.00 0.00 N +ATOM 2036 CA LEU A 132 3.813 4.744 -0.652 1.00 0.00 C +ATOM 2037 C LEU A 132 4.218 3.590 -1.571 1.00 0.00 C +ATOM 2038 O LEU A 132 4.135 2.425 -1.184 1.00 0.00 O +ATOM 2039 CB LEU A 132 2.335 5.126 -0.760 1.00 0.00 C +ATOM 2040 CG LEU A 132 1.808 6.080 0.314 1.00 0.00 C +ATOM 2041 CD1 LEU A 132 2.056 7.538 -0.078 1.00 0.00 C +ATOM 2042 CD2 LEU A 132 0.332 5.808 0.612 1.00 0.00 C +ATOM 2043 H LEU A 132 4.173 6.705 -1.255 1.00 0.00 H +ATOM 2044 HA LEU A 132 3.993 4.444 0.380 1.00 0.00 H +ATOM 2045 HB2 LEU A 132 2.168 5.582 -1.736 1.00 0.00 H +ATOM 2046 HB3 LEU A 132 1.741 4.213 -0.730 1.00 0.00 H +ATOM 2047 HG LEU A 132 2.361 5.896 1.235 1.00 0.00 H +ATOM 2048 HD11 LEU A 132 2.197 7.605 -1.156 1.00 0.00 H +ATOM 2049 HD12 LEU A 132 1.198 8.143 0.215 1.00 0.00 H +ATOM 2050 HD13 LEU A 132 2.948 7.904 0.429 1.00 0.00 H +ATOM 2051 HD21 LEU A 132 0.138 4.738 0.544 1.00 0.00 H +ATOM 2052 HD22 LEU A 132 0.094 6.157 1.617 1.00 0.00 H +ATOM 2053 HD23 LEU A 132 -0.288 6.337 -0.112 1.00 0.00 H +ATOM 2054 N SER A 133 4.648 3.953 -2.770 1.00 0.00 N +ATOM 2055 CA SER A 133 5.067 2.962 -3.747 1.00 0.00 C +ATOM 2056 C SER A 133 6.382 2.316 -3.306 1.00 0.00 C +ATOM 2057 O SER A 133 6.714 1.216 -3.743 1.00 0.00 O +ATOM 2058 CB SER A 133 5.222 3.588 -5.135 1.00 0.00 C +ATOM 2059 OG SER A 133 6.575 3.936 -5.415 1.00 0.00 O +ATOM 2060 H SER A 133 4.713 4.903 -3.077 1.00 0.00 H +ATOM 2061 HA SER A 133 4.266 2.223 -3.770 1.00 0.00 H +ATOM 2062 HB2 SER A 133 4.863 2.889 -5.890 1.00 0.00 H +ATOM 2063 HB3 SER A 133 4.597 4.479 -5.203 1.00 0.00 H +ATOM 2064 HG SER A 133 6.865 4.688 -4.823 1.00 0.00 H +ATOM 2065 N HIS A 134 7.095 3.029 -2.446 1.00 0.00 N +ATOM 2066 CA HIS A 134 8.366 2.538 -1.942 1.00 0.00 C +ATOM 2067 C HIS A 134 8.118 1.533 -0.816 1.00 0.00 C +ATOM 2068 O HIS A 134 8.704 0.451 -0.804 1.00 0.00 O +ATOM 2069 CB HIS A 134 9.265 3.700 -1.512 1.00 0.00 C +ATOM 2070 CG HIS A 134 10.567 3.268 -0.881 1.00 0.00 C +ATOM 2071 ND1 HIS A 134 10.706 3.052 0.479 1.00 0.00 N +ATOM 2072 CD2 HIS A 134 11.786 3.015 -1.438 1.00 0.00 C +ATOM 2073 CE1 HIS A 134 11.956 2.686 0.718 1.00 0.00 C +ATOM 2074 NE2 HIS A 134 12.624 2.664 -0.471 1.00 0.00 N +ATOM 2075 H HIS A 134 6.818 3.923 -2.096 1.00 0.00 H +ATOM 2076 HA HIS A 134 8.856 2.028 -2.771 1.00 0.00 H +ATOM 2077 HB2 HIS A 134 9.482 4.319 -2.383 1.00 0.00 H +ATOM 2078 HB3 HIS A 134 8.720 4.325 -0.805 1.00 0.00 H +ATOM 2079 HD1 HIS A 134 9.985 3.154 1.164 1.00 0.00 H +ATOM 2080 HD2 HIS A 134 12.030 3.088 -2.498 1.00 0.00 H +ATOM 2081 HE1 HIS A 134 12.377 2.444 1.694 1.00 0.00 H +ATOM 2082 N ALA A 135 7.249 1.925 0.104 1.00 0.00 N +ATOM 2083 CA ALA A 135 6.916 1.072 1.232 1.00 0.00 C +ATOM 2084 C ALA A 135 6.314 -0.237 0.716 1.00 0.00 C +ATOM 2085 O ALA A 135 6.766 -1.320 1.084 1.00 0.00 O +ATOM 2086 CB ALA A 135 5.969 1.818 2.174 1.00 0.00 C +ATOM 2087 H ALA A 135 6.776 2.807 0.087 1.00 0.00 H +ATOM 2088 HA ALA A 135 7.840 0.852 1.765 1.00 0.00 H +ATOM 2089 HB1 ALA A 135 6.446 1.942 3.146 1.00 0.00 H +ATOM 2090 HB2 ALA A 135 5.736 2.797 1.756 1.00 0.00 H +ATOM 2091 HB3 ALA A 135 5.049 1.245 2.292 1.00 0.00 H +ATOM 2092 N VAL A 136 5.304 -0.093 -0.130 1.00 0.00 N +ATOM 2093 CA VAL A 136 4.636 -1.251 -0.700 1.00 0.00 C +ATOM 2094 C VAL A 136 5.649 -2.079 -1.493 1.00 0.00 C +ATOM 2095 O VAL A 136 5.620 -3.308 -1.449 1.00 0.00 O +ATOM 2096 CB VAL A 136 3.440 -0.802 -1.543 1.00 0.00 C +ATOM 2097 CG1 VAL A 136 3.885 0.128 -2.674 1.00 0.00 C +ATOM 2098 CG2 VAL A 136 2.674 -2.007 -2.093 1.00 0.00 C +ATOM 2099 H VAL A 136 4.943 0.791 -0.425 1.00 0.00 H +ATOM 2100 HA VAL A 136 4.259 -1.853 0.126 1.00 0.00 H +ATOM 2101 HB VAL A 136 2.765 -0.243 -0.895 1.00 0.00 H +ATOM 2102 HG11 VAL A 136 4.073 -0.458 -3.573 1.00 0.00 H +ATOM 2103 HG12 VAL A 136 3.100 0.858 -2.874 1.00 0.00 H +ATOM 2104 HG13 VAL A 136 4.797 0.647 -2.380 1.00 0.00 H +ATOM 2105 HG21 VAL A 136 1.960 -2.354 -1.347 1.00 0.00 H +ATOM 2106 HG22 VAL A 136 2.141 -1.716 -2.998 1.00 0.00 H +ATOM 2107 HG23 VAL A 136 3.375 -2.808 -2.326 1.00 0.00 H +ATOM 2108 N GLY A 137 6.520 -1.374 -2.199 1.00 0.00 N +ATOM 2109 CA GLY A 137 7.540 -2.029 -3.000 1.00 0.00 C +ATOM 2110 C GLY A 137 8.679 -2.546 -2.121 1.00 0.00 C +ATOM 2111 O GLY A 137 9.496 -3.351 -2.566 1.00 0.00 O +ATOM 2112 H GLY A 137 6.536 -0.374 -2.229 1.00 0.00 H +ATOM 2113 HA2 GLY A 137 7.096 -2.858 -3.552 1.00 0.00 H +ATOM 2114 HA3 GLY A 137 7.933 -1.329 -3.737 1.00 0.00 H +ATOM 2115 N CYS A 138 8.698 -2.063 -0.887 1.00 0.00 N +ATOM 2116 CA CYS A 138 9.725 -2.467 0.059 1.00 0.00 C +ATOM 2117 C CYS A 138 9.374 -3.861 0.582 1.00 0.00 C +ATOM 2118 O CYS A 138 10.175 -4.789 0.472 1.00 0.00 O +ATOM 2119 CB CYS A 138 9.877 -1.453 1.195 1.00 0.00 C +ATOM 2120 SG CYS A 138 11.011 -0.109 0.687 1.00 0.00 S +ATOM 2121 H CYS A 138 8.030 -1.409 -0.532 1.00 0.00 H +ATOM 2122 HA CYS A 138 10.666 -2.484 -0.489 1.00 0.00 H +ATOM 2123 HB2 CYS A 138 8.904 -1.039 1.457 1.00 0.00 H +ATOM 2124 HB3 CYS A 138 10.263 -1.948 2.086 1.00 0.00 H +ATOM 2125 HG CYS A 138 11.235 -0.573 -0.540 1.00 0.00 H +ATOM 2126 N ALA A 139 8.177 -3.966 1.140 1.00 0.00 N +ATOM 2127 CA ALA A 139 7.710 -5.231 1.680 1.00 0.00 C +ATOM 2128 C ALA A 139 7.799 -6.307 0.595 1.00 0.00 C +ATOM 2129 O ALA A 139 8.284 -7.409 0.847 1.00 0.00 O +ATOM 2130 CB ALA A 139 6.289 -5.063 2.220 1.00 0.00 C +ATOM 2131 H ALA A 139 7.531 -3.206 1.225 1.00 0.00 H +ATOM 2132 HA ALA A 139 8.370 -5.503 2.504 1.00 0.00 H +ATOM 2133 HB1 ALA A 139 5.884 -4.107 1.888 1.00 0.00 H +ATOM 2134 HB2 ALA A 139 5.661 -5.873 1.848 1.00 0.00 H +ATOM 2135 HB3 ALA A 139 6.309 -5.090 3.310 1.00 0.00 H +ATOM 2136 N PHE A 140 7.322 -5.950 -0.588 1.00 0.00 N +ATOM 2137 CA PHE A 140 7.341 -6.871 -1.712 1.00 0.00 C +ATOM 2138 C PHE A 140 8.745 -7.437 -1.933 1.00 0.00 C +ATOM 2139 O PHE A 140 8.928 -8.653 -1.979 1.00 0.00 O +ATOM 2140 CB PHE A 140 6.925 -6.075 -2.950 1.00 0.00 C +ATOM 2141 CG PHE A 140 5.985 -6.833 -3.890 1.00 0.00 C +ATOM 2142 CD1 PHE A 140 4.657 -6.908 -3.609 1.00 0.00 C +ATOM 2143 CD2 PHE A 140 6.479 -7.431 -5.007 1.00 0.00 C +ATOM 2144 CE1 PHE A 140 3.785 -7.612 -4.482 1.00 0.00 C +ATOM 2145 CE2 PHE A 140 5.608 -8.135 -5.880 1.00 0.00 C +ATOM 2146 CZ PHE A 140 4.279 -8.210 -5.599 1.00 0.00 C +ATOM 2147 H PHE A 140 6.929 -5.051 -0.785 1.00 0.00 H +ATOM 2148 HA PHE A 140 6.656 -7.685 -1.474 1.00 0.00 H +ATOM 2149 HB2 PHE A 140 6.436 -5.154 -2.630 1.00 0.00 H +ATOM 2150 HB3 PHE A 140 7.819 -5.786 -3.502 1.00 0.00 H +ATOM 2151 HD1 PHE A 140 4.261 -6.429 -2.714 1.00 0.00 H +ATOM 2152 HD2 PHE A 140 7.544 -7.370 -5.233 1.00 0.00 H +ATOM 2153 HE1 PHE A 140 2.721 -7.672 -4.256 1.00 0.00 H +ATOM 2154 HE2 PHE A 140 6.003 -8.614 -6.775 1.00 0.00 H +ATOM 2155 HZ PHE A 140 3.610 -8.750 -6.269 1.00 0.00 H +ATOM 2156 N ALA A 141 9.701 -6.529 -2.064 1.00 0.00 N +ATOM 2157 CA ALA A 141 11.083 -6.923 -2.279 1.00 0.00 C +ATOM 2158 C ALA A 141 11.542 -7.810 -1.120 1.00 0.00 C +ATOM 2159 O ALA A 141 12.261 -8.786 -1.328 1.00 0.00 O +ATOM 2160 CB ALA A 141 11.952 -5.673 -2.436 1.00 0.00 C +ATOM 2161 H ALA A 141 9.544 -5.542 -2.025 1.00 0.00 H +ATOM 2162 HA ALA A 141 11.124 -7.498 -3.204 1.00 0.00 H +ATOM 2163 HB1 ALA A 141 11.704 -5.174 -3.373 1.00 0.00 H +ATOM 2164 HB2 ALA A 141 11.767 -4.995 -1.603 1.00 0.00 H +ATOM 2165 HB3 ALA A 141 13.003 -5.960 -2.445 1.00 0.00 H +ATOM 2166 N ALA A 142 11.108 -7.438 0.076 1.00 0.00 N +ATOM 2167 CA ALA A 142 11.466 -8.188 1.268 1.00 0.00 C +ATOM 2168 C ALA A 142 10.852 -9.587 1.189 1.00 0.00 C +ATOM 2169 O ALA A 142 11.569 -10.586 1.221 1.00 0.00 O +ATOM 2170 CB ALA A 142 11.010 -7.420 2.510 1.00 0.00 C +ATOM 2171 H ALA A 142 10.524 -6.643 0.236 1.00 0.00 H +ATOM 2172 HA ALA A 142 12.552 -8.278 1.290 1.00 0.00 H +ATOM 2173 HB1 ALA A 142 9.923 -7.465 2.586 1.00 0.00 H +ATOM 2174 HB2 ALA A 142 11.455 -7.868 3.398 1.00 0.00 H +ATOM 2175 HB3 ALA A 142 11.326 -6.380 2.431 1.00 0.00 H +ATOM 2176 N CYS A 143 9.531 -9.614 1.087 1.00 0.00 N +ATOM 2177 CA CYS A 143 8.813 -10.874 1.003 1.00 0.00 C +ATOM 2178 C CYS A 143 9.414 -11.695 -0.139 1.00 0.00 C +ATOM 2179 O CYS A 143 9.745 -12.866 0.041 1.00 0.00 O +ATOM 2180 CB CYS A 143 7.309 -10.656 0.819 1.00 0.00 C +ATOM 2181 SG CYS A 143 6.428 -12.256 0.928 1.00 0.00 S +ATOM 2182 H CYS A 143 8.956 -8.796 1.061 1.00 0.00 H +ATOM 2183 HA CYS A 143 8.953 -11.379 1.958 1.00 0.00 H +ATOM 2184 HB2 CYS A 143 6.936 -9.973 1.582 1.00 0.00 H +ATOM 2185 HB3 CYS A 143 7.116 -10.191 -0.148 1.00 0.00 H +ATOM 2186 HG CYS A 143 5.462 -11.828 1.736 1.00 0.00 H +ATOM 2187 N LEU A 144 9.538 -11.048 -1.289 1.00 0.00 N +ATOM 2188 CA LEU A 144 10.094 -11.704 -2.460 1.00 0.00 C +ATOM 2189 C LEU A 144 11.497 -12.219 -2.133 1.00 0.00 C +ATOM 2190 O LEU A 144 11.816 -13.377 -2.400 1.00 0.00 O +ATOM 2191 CB LEU A 144 10.049 -10.769 -3.670 1.00 0.00 C +ATOM 2192 CG LEU A 144 8.734 -10.745 -4.451 1.00 0.00 C +ATOM 2193 CD1 LEU A 144 8.883 -9.955 -5.753 1.00 0.00 C +ATOM 2194 CD2 LEU A 144 8.216 -12.163 -4.697 1.00 0.00 C +ATOM 2195 H LEU A 144 9.267 -10.096 -1.427 1.00 0.00 H +ATOM 2196 HA LEU A 144 9.458 -12.559 -2.690 1.00 0.00 H +ATOM 2197 HB2 LEU A 144 10.266 -9.756 -3.330 1.00 0.00 H +ATOM 2198 HB3 LEU A 144 10.849 -11.053 -4.354 1.00 0.00 H +ATOM 2199 HG LEU A 144 7.987 -10.230 -3.846 1.00 0.00 H +ATOM 2200 HD11 LEU A 144 9.170 -8.929 -5.524 1.00 0.00 H +ATOM 2201 HD12 LEU A 144 9.651 -10.418 -6.372 1.00 0.00 H +ATOM 2202 HD13 LEU A 144 7.934 -9.955 -6.289 1.00 0.00 H +ATOM 2203 HD21 LEU A 144 7.604 -12.175 -5.599 1.00 0.00 H +ATOM 2204 HD22 LEU A 144 9.060 -12.841 -4.822 1.00 0.00 H +ATOM 2205 HD23 LEU A 144 7.615 -12.484 -3.846 1.00 0.00 H +ATOM 2206 N GLU A 145 12.299 -11.334 -1.559 1.00 0.00 N +ATOM 2207 CA GLU A 145 13.661 -11.685 -1.192 1.00 0.00 C +ATOM 2208 C GLU A 145 13.715 -13.119 -0.662 1.00 0.00 C +ATOM 2209 O GLU A 145 14.458 -13.949 -1.182 1.00 0.00 O +ATOM 2210 CB GLU A 145 14.223 -10.699 -0.166 1.00 0.00 C +ATOM 2211 CG GLU A 145 15.472 -9.999 -0.706 1.00 0.00 C +ATOM 2212 CD GLU A 145 16.584 -9.974 0.344 1.00 0.00 C +ATOM 2213 OE1 GLU A 145 17.086 -11.073 0.664 1.00 0.00 O +ATOM 2214 OE2 GLU A 145 16.907 -8.858 0.803 1.00 0.00 O +ATOM 2215 H GLU A 145 12.032 -10.394 -1.345 1.00 0.00 H +ATOM 2216 HA GLU A 145 14.237 -11.609 -2.114 1.00 0.00 H +ATOM 2217 HB2 GLU A 145 13.465 -9.957 0.084 1.00 0.00 H +ATOM 2218 HB3 GLU A 145 14.468 -11.227 0.755 1.00 0.00 H +ATOM 2219 HG2 GLU A 145 15.823 -10.512 -1.601 1.00 0.00 H +ATOM 2220 HG3 GLU A 145 15.223 -8.979 -1.001 1.00 0.00 H +ATOM 2221 N ARG A 146 12.918 -13.366 0.367 1.00 0.00 N +ATOM 2222 CA ARG A 146 12.866 -14.685 0.974 1.00 0.00 C +ATOM 2223 C ARG A 146 12.830 -15.766 -0.109 1.00 0.00 C +ATOM 2224 O ARG A 146 13.536 -16.769 -0.013 1.00 0.00 O +ATOM 2225 CB ARG A 146 11.635 -14.831 1.871 1.00 0.00 C +ATOM 2226 CG ARG A 146 11.979 -14.519 3.328 1.00 0.00 C +ATOM 2227 CD ARG A 146 11.649 -13.065 3.671 1.00 0.00 C +ATOM 2228 NE ARG A 146 12.801 -12.431 4.350 1.00 0.00 N +ATOM 2229 CZ ARG A 146 13.120 -12.635 5.635 1.00 0.00 C +ATOM 2230 NH1 ARG A 146 12.376 -13.456 6.388 1.00 0.00 N +ATOM 2231 NH2 ARG A 146 14.184 -12.017 6.168 1.00 0.00 N +ATOM 2232 H ARG A 146 12.316 -12.685 0.784 1.00 0.00 H +ATOM 2233 HA ARG A 146 13.777 -14.755 1.568 1.00 0.00 H +ATOM 2234 HB2 ARG A 146 10.848 -14.159 1.527 1.00 0.00 H +ATOM 2235 HB3 ARG A 146 11.243 -15.845 1.794 1.00 0.00 H +ATOM 2236 HG2 ARG A 146 11.423 -15.187 3.988 1.00 0.00 H +ATOM 2237 HG3 ARG A 146 13.038 -14.707 3.504 1.00 0.00 H +ATOM 2238 HD2 ARG A 146 11.404 -12.515 2.762 1.00 0.00 H +ATOM 2239 HD3 ARG A 146 10.770 -13.024 4.314 1.00 0.00 H +ATOM 2240 HE ARG A 146 13.377 -11.812 3.816 1.00 0.00 H +ATOM 2241 HH11 ARG A 146 11.583 -13.917 5.991 1.00 0.00 H +ATOM 2242 HH12 ARG A 146 12.615 -13.608 7.348 1.00 0.00 H +ATOM 2243 HH21 ARG A 146 14.739 -11.404 5.606 1.00 0.00 H +ATOM 2244 HH22 ARG A 146 14.422 -12.169 7.127 1.00 0.00 H +ATOM 2245 N LYS A 147 12.001 -15.525 -1.114 1.00 0.00 N +ATOM 2246 CA LYS A 147 11.865 -16.465 -2.213 1.00 0.00 C +ATOM 2247 C LYS A 147 13.022 -16.268 -3.194 1.00 0.00 C +ATOM 2248 O LYS A 147 13.771 -17.203 -3.472 1.00 0.00 O +ATOM 2249 CB LYS A 147 10.484 -16.338 -2.859 1.00 0.00 C +ATOM 2250 CG LYS A 147 9.417 -16.010 -1.812 1.00 0.00 C +ATOM 2251 CD LYS A 147 8.013 -16.282 -2.355 1.00 0.00 C +ATOM 2252 CE LYS A 147 7.637 -15.268 -3.436 1.00 0.00 C +ATOM 2253 NZ LYS A 147 6.352 -14.611 -3.107 1.00 0.00 N +ATOM 2254 H LYS A 147 11.431 -14.707 -1.184 1.00 0.00 H +ATOM 2255 HA LYS A 147 11.934 -17.469 -1.795 1.00 0.00 H +ATOM 2256 HB2 LYS A 147 10.503 -15.558 -3.619 1.00 0.00 H +ATOM 2257 HB3 LYS A 147 10.227 -17.269 -3.365 1.00 0.00 H +ATOM 2258 HG2 LYS A 147 9.586 -16.607 -0.916 1.00 0.00 H +ATOM 2259 HG3 LYS A 147 9.501 -14.964 -1.518 1.00 0.00 H +ATOM 2260 HD2 LYS A 147 7.968 -17.291 -2.766 1.00 0.00 H +ATOM 2261 HD3 LYS A 147 7.289 -16.237 -1.541 1.00 0.00 H +ATOM 2262 HE2 LYS A 147 8.423 -14.517 -3.528 1.00 0.00 H +ATOM 2263 HE3 LYS A 147 7.560 -15.768 -4.402 1.00 0.00 H +ATOM 2264 HZ1 LYS A 147 5.648 -15.307 -2.969 1.00 0.00 H +ATOM 2265 HZ2 LYS A 147 6.458 -14.073 -2.271 1.00 0.00 H +ATOM 2266 HZ3 LYS A 147 6.083 -14.009 -3.859 1.00 0.00 H +ATOM 2267 N GLN A 148 13.133 -15.045 -3.691 1.00 0.00 N +ATOM 2268 CA GLN A 148 14.187 -14.713 -4.635 1.00 0.00 C +ATOM 2269 C GLN A 148 15.559 -14.891 -3.983 1.00 0.00 C +ATOM 2270 O GLN A 148 15.659 -15.402 -2.868 1.00 0.00 O +ATOM 2271 CB GLN A 148 14.015 -13.290 -5.170 1.00 0.00 C +ATOM 2272 CG GLN A 148 12.628 -13.100 -5.786 1.00 0.00 C +ATOM 2273 CD GLN A 148 12.732 -12.716 -7.264 1.00 0.00 C +ATOM 2274 OE1 GLN A 148 12.876 -13.552 -8.141 1.00 0.00 O +ATOM 2275 NE2 GLN A 148 12.651 -11.407 -7.490 1.00 0.00 N +ATOM 2276 H GLN A 148 12.520 -14.289 -3.459 1.00 0.00 H +ATOM 2277 HA GLN A 148 14.073 -15.420 -5.457 1.00 0.00 H +ATOM 2278 HB2 GLN A 148 14.159 -12.573 -4.362 1.00 0.00 H +ATOM 2279 HB3 GLN A 148 14.780 -13.084 -5.919 1.00 0.00 H +ATOM 2280 HG2 GLN A 148 12.052 -14.020 -5.686 1.00 0.00 H +ATOM 2281 HG3 GLN A 148 12.087 -12.325 -5.243 1.00 0.00 H +ATOM 2282 HE21 GLN A 148 12.533 -10.774 -6.725 1.00 0.00 H +ATOM 2283 HE22 GLN A 148 12.709 -11.057 -8.424 1.00 0.00 H +ATOM 2284 N LYS A 149 16.583 -14.461 -4.705 1.00 0.00 N +ATOM 2285 CA LYS A 149 17.945 -14.567 -4.211 1.00 0.00 C +ATOM 2286 C LYS A 149 18.587 -13.178 -4.196 1.00 0.00 C +ATOM 2287 O LYS A 149 18.259 -12.330 -5.024 1.00 0.00 O +ATOM 2288 CB LYS A 149 18.731 -15.599 -5.022 1.00 0.00 C +ATOM 2289 CG LYS A 149 18.887 -15.150 -6.476 1.00 0.00 C +ATOM 2290 CD LYS A 149 20.104 -14.237 -6.640 1.00 0.00 C +ATOM 2291 CE LYS A 149 20.550 -14.176 -8.102 1.00 0.00 C +ATOM 2292 NZ LYS A 149 20.769 -12.773 -8.519 1.00 0.00 N +ATOM 2293 H LYS A 149 16.493 -14.047 -5.611 1.00 0.00 H +ATOM 2294 HA LYS A 149 17.893 -14.934 -3.186 1.00 0.00 H +ATOM 2295 HB2 LYS A 149 19.714 -15.746 -4.575 1.00 0.00 H +ATOM 2296 HB3 LYS A 149 18.218 -16.560 -4.987 1.00 0.00 H +ATOM 2297 HG2 LYS A 149 18.993 -16.023 -7.120 1.00 0.00 H +ATOM 2298 HG3 LYS A 149 17.988 -14.624 -6.797 1.00 0.00 H +ATOM 2299 HD2 LYS A 149 19.861 -13.234 -6.288 1.00 0.00 H +ATOM 2300 HD3 LYS A 149 20.923 -14.602 -6.021 1.00 0.00 H +ATOM 2301 HE2 LYS A 149 21.469 -14.747 -8.232 1.00 0.00 H +ATOM 2302 HE3 LYS A 149 19.795 -14.637 -8.739 1.00 0.00 H +ATOM 2303 HZ1 LYS A 149 20.332 -12.617 -9.405 1.00 0.00 H +ATOM 2304 HZ2 LYS A 149 20.371 -12.157 -7.839 1.00 0.00 H +ATOM 2305 HZ3 LYS A 149 21.750 -12.596 -8.596 1.00 0.00 H +ATOM 2306 N ARG A 150 19.491 -12.989 -3.246 1.00 0.00 N +ATOM 2307 CA ARG A 150 20.182 -11.718 -3.113 1.00 0.00 C +ATOM 2308 C ARG A 150 21.669 -11.886 -3.432 1.00 0.00 C +ATOM 2309 O ARG A 150 22.305 -12.830 -2.965 1.00 0.00 O +ATOM 2310 CB ARG A 150 20.032 -11.155 -1.698 1.00 0.00 C +ATOM 2311 CG ARG A 150 20.805 -9.844 -1.545 1.00 0.00 C +ATOM 2312 CD ARG A 150 19.851 -8.653 -1.441 1.00 0.00 C +ATOM 2313 NE ARG A 150 19.996 -7.783 -2.630 1.00 0.00 N +ATOM 2314 CZ ARG A 150 19.173 -6.766 -2.922 1.00 0.00 C +ATOM 2315 NH1 ARG A 150 18.142 -6.485 -2.114 1.00 0.00 N +ATOM 2316 NH2 ARG A 150 19.382 -6.031 -4.023 1.00 0.00 N +ATOM 2317 H ARG A 150 19.752 -13.684 -2.577 1.00 0.00 H +ATOM 2318 HA ARG A 150 19.698 -11.060 -3.835 1.00 0.00 H +ATOM 2319 HB2 ARG A 150 18.977 -10.987 -1.480 1.00 0.00 H +ATOM 2320 HB3 ARG A 150 20.395 -11.883 -0.973 1.00 0.00 H +ATOM 2321 HG2 ARG A 150 21.433 -9.890 -0.655 1.00 0.00 H +ATOM 2322 HG3 ARG A 150 21.471 -9.708 -2.397 1.00 0.00 H +ATOM 2323 HD2 ARG A 150 18.822 -9.006 -1.362 1.00 0.00 H +ATOM 2324 HD3 ARG A 150 20.063 -8.083 -0.536 1.00 0.00 H +ATOM 2325 HE ARG A 150 20.755 -7.966 -3.255 1.00 0.00 H +ATOM 2326 HH11 ARG A 150 17.987 -7.034 -1.292 1.00 0.00 H +ATOM 2327 HH12 ARG A 150 17.529 -5.726 -2.332 1.00 0.00 H +ATOM 2328 HH21 ARG A 150 20.151 -6.241 -4.626 1.00 0.00 H +ATOM 2329 HH22 ARG A 150 18.768 -5.272 -4.241 1.00 0.00 H +ATOM 2330 N SER A 151 22.180 -10.956 -4.225 1.00 0.00 N +ATOM 2331 CA SER A 151 23.580 -10.989 -4.612 1.00 0.00 C +ATOM 2332 C SER A 151 24.390 -10.038 -3.729 1.00 0.00 C +ATOM 2333 O SER A 151 23.977 -8.905 -3.489 1.00 0.00 O +ATOM 2334 CB SER A 151 23.753 -10.620 -6.087 1.00 0.00 C +ATOM 2335 OG SER A 151 25.109 -10.730 -6.509 1.00 0.00 O +ATOM 2336 H SER A 151 21.656 -10.191 -4.601 1.00 0.00 H +ATOM 2337 HA SER A 151 23.898 -12.020 -4.456 1.00 0.00 H +ATOM 2338 HB2 SER A 151 23.129 -11.272 -6.699 1.00 0.00 H +ATOM 2339 HB3 SER A 151 23.404 -9.601 -6.249 1.00 0.00 H +ATOM 2340 HG SER A 151 25.243 -10.228 -7.364 1.00 0.00 H +ATOM 2341 N GLY A 152 25.529 -10.534 -3.269 1.00 0.00 N +ATOM 2342 CA GLY A 152 26.401 -9.743 -2.417 1.00 0.00 C +ATOM 2343 C GLY A 152 25.684 -9.334 -1.128 1.00 0.00 C +ATOM 2344 O GLY A 152 24.456 -9.286 -1.085 1.00 0.00 O +ATOM 2345 H GLY A 152 25.858 -11.457 -3.469 1.00 0.00 H +ATOM 2346 HA2 GLY A 152 27.295 -10.316 -2.174 1.00 0.00 H +ATOM 2347 HA3 GLY A 152 26.728 -8.852 -2.953 1.00 0.00 H +ATOM 2348 N PRO A 153 26.504 -9.043 -0.083 1.00 0.00 N +ATOM 2349 CA PRO A 153 25.961 -8.640 1.204 1.00 0.00 C +ATOM 2350 C PRO A 153 25.452 -7.198 1.157 1.00 0.00 C +ATOM 2351 O PRO A 153 26.062 -6.341 0.519 1.00 0.00 O +ATOM 2352 CB PRO A 153 27.101 -8.836 2.190 1.00 0.00 C +ATOM 2353 CG PRO A 153 28.370 -8.896 1.354 1.00 0.00 C +ATOM 2354 CD PRO A 153 27.963 -9.090 -0.097 1.00 0.00 C +ATOM 2355 HA PRO A 153 25.168 -9.203 1.437 1.00 0.00 H +ATOM 2356 HB2 PRO A 153 27.143 -8.015 2.906 1.00 0.00 H +ATOM 2357 HB3 PRO A 153 26.968 -9.753 2.764 1.00 0.00 H +ATOM 2358 HG2 PRO A 153 28.947 -7.979 1.470 1.00 0.00 H +ATOM 2359 HG3 PRO A 153 29.006 -9.717 1.685 1.00 0.00 H +ATOM 2360 HD2 PRO A 153 28.378 -8.308 -0.733 1.00 0.00 H +ATOM 2361 HD3 PRO A 153 28.325 -10.042 -0.486 1.00 0.00 H +ATOM 2362 N SER A 154 24.340 -6.975 1.840 1.00 0.00 N +ATOM 2363 CA SER A 154 23.742 -5.651 1.885 1.00 0.00 C +ATOM 2364 C SER A 154 23.067 -5.427 3.239 1.00 0.00 C +ATOM 2365 O SER A 154 21.843 -5.496 3.346 1.00 0.00 O +ATOM 2366 CB SER A 154 22.732 -5.465 0.751 1.00 0.00 C +ATOM 2367 OG SER A 154 21.739 -6.488 0.747 1.00 0.00 O +ATOM 2368 H SER A 154 23.850 -7.677 2.357 1.00 0.00 H +ATOM 2369 HA SER A 154 24.570 -4.956 1.750 1.00 0.00 H +ATOM 2370 HB2 SER A 154 22.249 -4.492 0.851 1.00 0.00 H +ATOM 2371 HB3 SER A 154 23.255 -5.464 -0.205 1.00 0.00 H +ATOM 2372 HG SER A 154 21.228 -6.465 -0.113 1.00 0.00 H +ATOM 2373 N SER A 155 23.894 -5.162 4.240 1.00 0.00 N +ATOM 2374 CA SER A 155 23.392 -4.928 5.583 1.00 0.00 C +ATOM 2375 C SER A 155 22.991 -3.460 5.743 1.00 0.00 C +ATOM 2376 O SER A 155 21.835 -3.156 6.033 1.00 0.00 O +ATOM 2377 CB SER A 155 24.434 -5.311 6.636 1.00 0.00 C +ATOM 2378 OG SER A 155 24.707 -6.710 6.632 1.00 0.00 O +ATOM 2379 H SER A 155 24.888 -5.108 4.145 1.00 0.00 H +ATOM 2380 HA SER A 155 22.521 -5.575 5.683 1.00 0.00 H +ATOM 2381 HB2 SER A 155 25.357 -4.761 6.449 1.00 0.00 H +ATOM 2382 HB3 SER A 155 24.080 -5.014 7.622 1.00 0.00 H +ATOM 2383 HG SER A 155 24.044 -7.189 7.207 1.00 0.00 H +ATOM 2384 N GLY A 156 23.970 -2.588 5.548 1.00 0.00 N +ATOM 2385 CA GLY A 156 23.734 -1.159 5.667 1.00 0.00 C +ATOM 2386 C GLY A 156 24.503 -0.573 6.852 1.00 0.00 C +ATOM 2387 O GLY A 156 24.320 0.592 7.201 1.00 0.00 O +ATOM 2388 H GLY A 156 24.908 -2.843 5.313 1.00 0.00 H +ATOM 2389 HA2 GLY A 156 24.039 -0.659 4.748 1.00 0.00 H +ATOM 2390 HA3 GLY A 156 22.668 -0.972 5.792 1.00 0.00 H +TER 2391 GLY A 156 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_NUMB_1WJ1A_1WJ1A/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_NUMB_1WJ1A_1WJ1A/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..07d279a8b7dd5b8d13d2439845bbc69e963fead1 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_NUMB_1WJ1A_1WJ1A/state_b.pdb @@ -0,0 +1,2394 @@ +MODEL 1 +ATOM 1 N GLY A 1 5.982 -9.692 24.704 1.00 0.00 N +ATOM 2 CA GLY A 1 6.730 -9.692 23.458 1.00 0.00 C +ATOM 3 C GLY A 1 5.853 -10.152 22.292 1.00 0.00 C +ATOM 4 O GLY A 1 5.639 -11.348 22.106 1.00 0.00 O +ATOM 5 H1 GLY A 1 6.541 -9.692 25.533 1.00 0.00 H +ATOM 6 HA2 GLY A 1 7.111 -8.690 23.259 1.00 0.00 H +ATOM 7 HA3 GLY A 1 7.595 -10.349 23.550 1.00 0.00 H +ATOM 8 N SER A 2 5.370 -9.176 21.536 1.00 0.00 N +ATOM 9 CA SER A 2 4.521 -9.466 20.393 1.00 0.00 C +ATOM 10 C SER A 2 4.999 -8.675 19.173 1.00 0.00 C +ATOM 11 O SER A 2 5.299 -9.256 18.131 1.00 0.00 O +ATOM 12 CB SER A 2 3.058 -9.140 20.697 1.00 0.00 C +ATOM 13 OG SER A 2 2.262 -10.316 20.814 1.00 0.00 O +ATOM 14 H SER A 2 5.549 -8.205 21.695 1.00 0.00 H +ATOM 15 HA SER A 2 4.626 -10.537 20.220 1.00 0.00 H +ATOM 16 HB2 SER A 2 2.998 -8.568 21.623 1.00 0.00 H +ATOM 17 HB3 SER A 2 2.655 -8.507 19.906 1.00 0.00 H +ATOM 18 HG SER A 2 1.871 -10.555 19.925 1.00 0.00 H +ATOM 19 N SER A 3 5.055 -7.363 19.344 1.00 0.00 N +ATOM 20 CA SER A 3 5.491 -6.487 18.269 1.00 0.00 C +ATOM 21 C SER A 3 5.500 -5.034 18.750 1.00 0.00 C +ATOM 22 O SER A 3 6.507 -4.340 18.619 1.00 0.00 O +ATOM 23 CB SER A 3 4.593 -6.634 17.040 1.00 0.00 C +ATOM 24 OG SER A 3 5.277 -6.298 15.836 1.00 0.00 O +ATOM 25 H SER A 3 4.809 -6.898 20.194 1.00 0.00 H +ATOM 26 HA SER A 3 6.501 -6.814 18.022 1.00 0.00 H +ATOM 27 HB2 SER A 3 4.230 -7.660 16.977 1.00 0.00 H +ATOM 28 HB3 SER A 3 3.718 -5.993 17.151 1.00 0.00 H +ATOM 29 HG SER A 3 5.153 -5.327 15.631 1.00 0.00 H +ATOM 30 N GLY A 4 4.367 -4.618 19.295 1.00 0.00 N +ATOM 31 CA GLY A 4 4.231 -3.260 19.796 1.00 0.00 C +ATOM 32 C GLY A 4 4.430 -2.240 18.673 1.00 0.00 C +ATOM 33 O GLY A 4 4.867 -2.593 17.579 1.00 0.00 O +ATOM 34 H GLY A 4 3.552 -5.189 19.398 1.00 0.00 H +ATOM 35 HA2 GLY A 4 3.245 -3.130 20.240 1.00 0.00 H +ATOM 36 HA3 GLY A 4 4.962 -3.085 20.585 1.00 0.00 H +ATOM 37 N SER A 5 4.098 -0.995 18.983 1.00 0.00 N +ATOM 38 CA SER A 5 4.235 0.079 18.014 1.00 0.00 C +ATOM 39 C SER A 5 4.739 1.347 18.706 1.00 0.00 C +ATOM 40 O SER A 5 4.762 1.421 19.934 1.00 0.00 O +ATOM 41 CB SER A 5 2.907 0.354 17.306 1.00 0.00 C +ATOM 42 OG SER A 5 2.725 -0.485 16.168 1.00 0.00 O +ATOM 43 H SER A 5 3.743 -0.717 19.875 1.00 0.00 H +ATOM 44 HA SER A 5 4.966 -0.278 17.289 1.00 0.00 H +ATOM 45 HB2 SER A 5 2.084 0.200 18.005 1.00 0.00 H +ATOM 46 HB3 SER A 5 2.871 1.398 16.995 1.00 0.00 H +ATOM 47 HG SER A 5 3.613 -0.755 15.797 1.00 0.00 H +ATOM 48 N SER A 6 5.132 2.313 17.888 1.00 0.00 N +ATOM 49 CA SER A 6 5.635 3.574 18.406 1.00 0.00 C +ATOM 50 C SER A 6 6.100 4.465 17.253 1.00 0.00 C +ATOM 51 O SER A 6 7.152 4.224 16.663 1.00 0.00 O +ATOM 52 CB SER A 6 6.779 3.345 19.395 1.00 0.00 C +ATOM 53 OG SER A 6 6.327 3.355 20.747 1.00 0.00 O +ATOM 54 H SER A 6 5.110 2.244 16.891 1.00 0.00 H +ATOM 55 HA SER A 6 4.792 4.029 18.926 1.00 0.00 H +ATOM 56 HB2 SER A 6 7.259 2.391 19.181 1.00 0.00 H +ATOM 57 HB3 SER A 6 7.535 4.119 19.260 1.00 0.00 H +ATOM 58 HG SER A 6 6.570 4.222 21.183 1.00 0.00 H +ATOM 59 N GLY A 7 5.293 5.476 16.966 1.00 0.00 N +ATOM 60 CA GLY A 7 5.608 6.404 15.894 1.00 0.00 C +ATOM 61 C GLY A 7 6.448 7.574 16.411 1.00 0.00 C +ATOM 62 O GLY A 7 6.340 7.954 17.575 1.00 0.00 O +ATOM 63 H GLY A 7 4.438 5.664 17.450 1.00 0.00 H +ATOM 64 HA2 GLY A 7 6.150 5.883 15.104 1.00 0.00 H +ATOM 65 HA3 GLY A 7 4.686 6.782 15.451 1.00 0.00 H +ATOM 66 N ALA A 8 7.268 8.112 15.519 1.00 0.00 N +ATOM 67 CA ALA A 8 8.126 9.230 15.870 1.00 0.00 C +ATOM 68 C ALA A 8 8.846 9.729 14.616 1.00 0.00 C +ATOM 69 O ALA A 8 8.905 9.025 13.609 1.00 0.00 O +ATOM 70 CB ALA A 8 9.100 8.801 16.969 1.00 0.00 C +ATOM 71 H ALA A 8 7.350 7.797 14.573 1.00 0.00 H +ATOM 72 HA ALA A 8 7.491 10.027 16.256 1.00 0.00 H +ATOM 73 HB1 ALA A 8 9.878 8.169 16.539 1.00 0.00 H +ATOM 74 HB2 ALA A 8 9.556 9.684 17.417 1.00 0.00 H +ATOM 75 HB3 ALA A 8 8.561 8.243 17.735 1.00 0.00 H +ATOM 76 N SER A 9 9.374 10.940 14.718 1.00 0.00 N +ATOM 77 CA SER A 9 10.088 11.541 13.604 1.00 0.00 C +ATOM 78 C SER A 9 11.257 10.647 13.187 1.00 0.00 C +ATOM 79 O SER A 9 11.687 9.785 13.952 1.00 0.00 O +ATOM 80 CB SER A 9 10.591 12.940 13.963 1.00 0.00 C +ATOM 81 OG SER A 9 9.760 13.963 13.420 1.00 0.00 O +ATOM 82 H SER A 9 9.322 11.505 15.540 1.00 0.00 H +ATOM 83 HA SER A 9 9.356 11.614 12.799 1.00 0.00 H +ATOM 84 HB2 SER A 9 10.632 13.043 15.047 1.00 0.00 H +ATOM 85 HB3 SER A 9 11.609 13.065 13.593 1.00 0.00 H +ATOM 86 HG SER A 9 9.873 14.004 12.427 1.00 0.00 H +ATOM 87 N ARG A 10 11.737 10.882 11.975 1.00 0.00 N +ATOM 88 CA ARG A 10 12.848 10.108 11.447 1.00 0.00 C +ATOM 89 C ARG A 10 13.658 10.949 10.458 1.00 0.00 C +ATOM 90 O ARG A 10 13.142 11.905 9.882 1.00 0.00 O +ATOM 91 CB ARG A 10 12.354 8.842 10.745 1.00 0.00 C +ATOM 92 CG ARG A 10 11.800 7.835 11.755 1.00 0.00 C +ATOM 93 CD ARG A 10 12.893 7.365 12.717 1.00 0.00 C +ATOM 94 NE ARG A 10 12.450 6.147 13.431 1.00 0.00 N +ATOM 95 CZ ARG A 10 13.134 5.571 14.429 1.00 0.00 C +ATOM 96 NH1 ARG A 10 14.296 6.098 14.837 1.00 0.00 N +ATOM 97 NH2 ARG A 10 12.655 4.467 15.019 1.00 0.00 N +ATOM 98 H ARG A 10 11.381 11.584 11.359 1.00 0.00 H +ATOM 99 HA ARG A 10 13.446 9.847 12.321 1.00 0.00 H +ATOM 100 HB2 ARG A 10 11.580 9.101 10.023 1.00 0.00 H +ATOM 101 HB3 ARG A 10 13.172 8.389 10.186 1.00 0.00 H +ATOM 102 HG2 ARG A 10 10.986 8.291 12.319 1.00 0.00 H +ATOM 103 HG3 ARG A 10 11.381 6.978 11.228 1.00 0.00 H +ATOM 104 HD2 ARG A 10 13.811 7.160 12.165 1.00 0.00 H +ATOM 105 HD3 ARG A 10 13.123 8.154 13.434 1.00 0.00 H +ATOM 106 HE ARG A 10 11.587 5.727 13.150 1.00 0.00 H +ATOM 107 HH11 ARG A 10 14.653 6.922 14.397 1.00 0.00 H +ATOM 108 HH12 ARG A 10 14.806 5.668 15.582 1.00 0.00 H +ATOM 109 HH21 ARG A 10 11.788 4.073 14.714 1.00 0.00 H +ATOM 110 HH22 ARG A 10 13.165 4.037 15.764 1.00 0.00 H +ATOM 111 N PRO A 11 14.947 10.551 10.286 1.00 0.00 N +ATOM 112 CA PRO A 11 15.833 11.257 9.376 1.00 0.00 C +ATOM 113 C PRO A 11 15.501 10.926 7.920 1.00 0.00 C +ATOM 114 O PRO A 11 15.208 11.820 7.127 1.00 0.00 O +ATOM 115 CB PRO A 11 17.234 10.826 9.778 1.00 0.00 C +ATOM 116 CG PRO A 11 17.063 9.548 10.583 1.00 0.00 C +ATOM 117 CD PRO A 11 15.593 9.423 10.951 1.00 0.00 C +ATOM 118 HA PRO A 11 15.709 12.245 9.467 1.00 0.00 H +ATOM 119 HB2 PRO A 11 17.857 10.653 8.900 1.00 0.00 H +ATOM 120 HB3 PRO A 11 17.726 11.598 10.370 1.00 0.00 H +ATOM 121 HG2 PRO A 11 17.386 8.684 10.003 1.00 0.00 H +ATOM 122 HG3 PRO A 11 17.679 9.577 11.482 1.00 0.00 H +ATOM 123 HD2 PRO A 11 15.179 8.473 10.611 1.00 0.00 H +ATOM 124 HD3 PRO A 11 15.450 9.464 12.030 1.00 0.00 H +ATOM 125 N HIS A 12 15.557 9.638 7.611 1.00 0.00 N +ATOM 126 CA HIS A 12 15.265 9.178 6.264 1.00 0.00 C +ATOM 127 C HIS A 12 13.804 9.478 5.925 1.00 0.00 C +ATOM 128 O HIS A 12 13.038 9.908 6.786 1.00 0.00 O +ATOM 129 CB HIS A 12 15.618 7.698 6.107 1.00 0.00 C +ATOM 130 CG HIS A 12 17.102 7.424 6.040 1.00 0.00 C +ATOM 131 ND1 HIS A 12 17.784 6.744 7.033 1.00 0.00 N +ATOM 132 CD2 HIS A 12 18.025 7.745 5.089 1.00 0.00 C +ATOM 133 CE1 HIS A 12 19.060 6.666 6.686 1.00 0.00 C +ATOM 134 NE2 HIS A 12 19.208 7.287 5.481 1.00 0.00 N +ATOM 135 H HIS A 12 15.796 8.917 8.262 1.00 0.00 H +ATOM 136 HA HIS A 12 15.909 9.747 5.593 1.00 0.00 H +ATOM 137 HB2 HIS A 12 15.194 7.143 6.944 1.00 0.00 H +ATOM 138 HB3 HIS A 12 15.147 7.317 5.201 1.00 0.00 H +ATOM 139 HD1 HIS A 12 17.383 6.375 7.871 1.00 0.00 H +ATOM 140 HD2 HIS A 12 17.825 8.286 4.164 1.00 0.00 H +ATOM 141 HE1 HIS A 12 19.853 6.188 7.261 1.00 0.00 H +ATOM 142 N GLN A 13 13.461 9.240 4.667 1.00 0.00 N +ATOM 143 CA GLN A 13 12.105 9.480 4.203 1.00 0.00 C +ATOM 144 C GLN A 13 11.535 8.216 3.555 1.00 0.00 C +ATOM 145 O GLN A 13 10.375 7.870 3.775 1.00 0.00 O +ATOM 146 CB GLN A 13 12.058 10.662 3.233 1.00 0.00 C +ATOM 147 CG GLN A 13 10.658 10.828 2.639 1.00 0.00 C +ATOM 148 CD GLN A 13 9.668 11.317 3.697 1.00 0.00 C +ATOM 149 OE1 GLN A 13 9.160 10.558 4.507 1.00 0.00 O +ATOM 150 NE2 GLN A 13 9.422 12.623 3.647 1.00 0.00 N +ATOM 151 H GLN A 13 14.090 8.891 3.973 1.00 0.00 H +ATOM 152 HA GLN A 13 11.532 9.728 5.097 1.00 0.00 H +ATOM 153 HB2 GLN A 13 12.347 11.575 3.753 1.00 0.00 H +ATOM 154 HB3 GLN A 13 12.781 10.509 2.432 1.00 0.00 H +ATOM 155 HG2 GLN A 13 10.692 11.538 1.812 1.00 0.00 H +ATOM 156 HG3 GLN A 13 10.318 9.878 2.228 1.00 0.00 H +ATOM 157 HE21 GLN A 13 9.872 13.190 2.957 1.00 0.00 H +ATOM 158 HE22 GLN A 13 8.787 13.038 4.298 1.00 0.00 H +ATOM 159 N TRP A 14 12.377 7.561 2.769 1.00 0.00 N +ATOM 160 CA TRP A 14 11.971 6.344 2.088 1.00 0.00 C +ATOM 161 C TRP A 14 12.602 5.159 2.821 1.00 0.00 C +ATOM 162 O TRP A 14 11.903 4.231 3.227 1.00 0.00 O +ATOM 163 CB TRP A 14 12.344 6.395 0.604 1.00 0.00 C +ATOM 164 CG TRP A 14 11.629 7.498 -0.179 1.00 0.00 C +ATOM 165 CD1 TRP A 14 11.469 8.783 0.166 1.00 0.00 C +ATOM 166 CD2 TRP A 14 10.981 7.361 -1.461 1.00 0.00 C +ATOM 167 NE1 TRP A 14 10.767 9.481 -0.796 1.00 0.00 N +ATOM 168 CE2 TRP A 14 10.461 8.588 -1.817 1.00 0.00 C +ATOM 169 CE3 TRP A 14 10.838 6.236 -2.292 1.00 0.00 C +ATOM 170 CZ2 TRP A 14 9.764 8.809 -3.011 1.00 0.00 C +ATOM 171 CZ3 TRP A 14 10.139 6.472 -3.482 1.00 0.00 C +ATOM 172 CH2 TRP A 14 9.609 7.702 -3.855 1.00 0.00 C +ATOM 173 H TRP A 14 13.318 7.849 2.595 1.00 0.00 H +ATOM 174 HA TRP A 14 10.884 6.279 2.140 1.00 0.00 H +ATOM 175 HB2 TRP A 14 13.420 6.540 0.516 1.00 0.00 H +ATOM 176 HB3 TRP A 14 12.113 5.432 0.149 1.00 0.00 H +ATOM 177 HD1 TRP A 14 11.845 9.222 1.090 1.00 0.00 H +ATOM 178 HE1 TRP A 14 10.502 10.538 -0.762 1.00 0.00 H +ATOM 179 HE3 TRP A 14 11.239 5.256 -2.033 1.00 0.00 H +ATOM 180 HZ2 TRP A 14 9.363 9.789 -3.269 1.00 0.00 H +ATOM 181 HZ3 TRP A 14 10.000 5.633 -4.163 1.00 0.00 H +ATOM 182 HH2 TRP A 14 9.077 7.805 -4.800 1.00 0.00 H +ATOM 183 N GLN A 15 13.917 5.228 2.971 1.00 0.00 N +ATOM 184 CA GLN A 15 14.650 4.172 3.649 1.00 0.00 C +ATOM 185 C GLN A 15 13.958 3.806 4.963 1.00 0.00 C +ATOM 186 O GLN A 15 13.875 2.632 5.319 1.00 0.00 O +ATOM 187 CB GLN A 15 16.104 4.582 3.889 1.00 0.00 C +ATOM 188 CG GLN A 15 16.729 3.752 5.013 1.00 0.00 C +ATOM 189 CD GLN A 15 18.197 3.441 4.713 1.00 0.00 C +ATOM 190 OE1 GLN A 15 18.595 2.300 4.548 1.00 0.00 O +ATOM 191 NE2 GLN A 15 18.976 4.517 4.653 1.00 0.00 N +ATOM 192 H GLN A 15 14.478 5.986 2.638 1.00 0.00 H +ATOM 193 HA GLN A 15 14.626 3.321 2.969 1.00 0.00 H +ATOM 194 HB2 GLN A 15 16.679 4.451 2.973 1.00 0.00 H +ATOM 195 HB3 GLN A 15 16.150 5.640 4.146 1.00 0.00 H +ATOM 196 HG2 GLN A 15 16.653 4.294 5.955 1.00 0.00 H +ATOM 197 HG3 GLN A 15 16.174 2.822 5.134 1.00 0.00 H +ATOM 198 HE21 GLN A 15 18.585 5.426 4.799 1.00 0.00 H +ATOM 199 HE22 GLN A 15 19.953 4.417 4.463 1.00 0.00 H +ATOM 200 N THR A 16 13.480 4.834 5.650 1.00 0.00 N +ATOM 201 CA THR A 16 12.799 4.635 6.918 1.00 0.00 C +ATOM 202 C THR A 16 11.648 3.640 6.754 1.00 0.00 C +ATOM 203 O THR A 16 11.319 2.907 7.686 1.00 0.00 O +ATOM 204 CB THR A 16 12.350 6.004 7.433 1.00 0.00 C +ATOM 205 OG1 THR A 16 11.571 5.702 8.587 1.00 0.00 O +ATOM 206 CG2 THR A 16 11.363 6.691 6.487 1.00 0.00 C +ATOM 207 H THR A 16 13.552 5.786 5.354 1.00 0.00 H +ATOM 208 HA THR A 16 13.504 4.195 7.622 1.00 0.00 H +ATOM 209 HB THR A 16 13.209 6.645 7.633 1.00 0.00 H +ATOM 210 HG1 THR A 16 12.124 5.197 9.250 1.00 0.00 H +ATOM 211 HG21 THR A 16 10.467 6.078 6.389 1.00 0.00 H +ATOM 212 HG22 THR A 16 11.093 7.667 6.890 1.00 0.00 H +ATOM 213 HG23 THR A 16 11.826 6.818 5.508 1.00 0.00 H +ATOM 214 N ASP A 17 11.067 3.647 5.563 1.00 0.00 N +ATOM 215 CA ASP A 17 9.960 2.754 5.266 1.00 0.00 C +ATOM 216 C ASP A 17 10.507 1.367 4.925 1.00 0.00 C +ATOM 217 O ASP A 17 9.781 0.376 4.992 1.00 0.00 O +ATOM 218 CB ASP A 17 9.157 3.254 4.064 1.00 0.00 C +ATOM 219 CG ASP A 17 8.359 4.537 4.307 1.00 0.00 C +ATOM 220 OD1 ASP A 17 8.159 4.863 5.497 1.00 0.00 O +ATOM 221 OD2 ASP A 17 7.968 5.163 3.298 1.00 0.00 O +ATOM 222 H ASP A 17 11.340 4.246 4.811 1.00 0.00 H +ATOM 223 HA ASP A 17 9.345 2.750 6.166 1.00 0.00 H +ATOM 224 HB2 ASP A 17 9.842 3.423 3.233 1.00 0.00 H +ATOM 225 HB3 ASP A 17 8.467 2.469 3.754 1.00 0.00 H +ATOM 226 N GLU A 18 11.782 1.340 4.566 1.00 0.00 N +ATOM 227 CA GLU A 18 12.434 0.090 4.214 1.00 0.00 C +ATOM 228 C GLU A 18 12.768 -0.708 5.476 1.00 0.00 C +ATOM 229 O GLU A 18 13.006 -1.913 5.407 1.00 0.00 O +ATOM 230 CB GLU A 18 13.690 0.344 3.378 1.00 0.00 C +ATOM 231 CG GLU A 18 14.310 -0.973 2.906 1.00 0.00 C +ATOM 232 CD GLU A 18 15.138 -0.766 1.636 1.00 0.00 C +ATOM 233 OE1 GLU A 18 16.331 -0.425 1.786 1.00 0.00 O +ATOM 234 OE2 GLU A 18 14.559 -0.953 0.545 1.00 0.00 O +ATOM 235 H GLU A 18 12.365 2.150 4.514 1.00 0.00 H +ATOM 236 HA GLU A 18 11.708 -0.456 3.611 1.00 0.00 H +ATOM 237 HB2 GLU A 18 13.439 0.961 2.515 1.00 0.00 H +ATOM 238 HB3 GLU A 18 14.417 0.902 3.967 1.00 0.00 H +ATOM 239 HG2 GLU A 18 14.942 -1.384 3.694 1.00 0.00 H +ATOM 240 HG3 GLU A 18 13.523 -1.703 2.716 1.00 0.00 H +ATOM 241 N GLU A 19 12.774 -0.004 6.598 1.00 0.00 N +ATOM 242 CA GLU A 19 13.075 -0.632 7.874 1.00 0.00 C +ATOM 243 C GLU A 19 11.781 -1.033 8.586 1.00 0.00 C +ATOM 244 O GLU A 19 11.627 -2.180 9.003 1.00 0.00 O +ATOM 245 CB GLU A 19 13.922 0.289 8.753 1.00 0.00 C +ATOM 246 CG GLU A 19 15.196 0.723 8.025 1.00 0.00 C +ATOM 247 CD GLU A 19 16.275 1.156 9.019 1.00 0.00 C +ATOM 248 OE1 GLU A 19 15.994 2.104 9.784 1.00 0.00 O +ATOM 249 OE2 GLU A 19 17.357 0.529 8.992 1.00 0.00 O +ATOM 250 H GLU A 19 12.580 0.975 6.645 1.00 0.00 H +ATOM 251 HA GLU A 19 13.653 -1.523 7.629 1.00 0.00 H +ATOM 252 HB2 GLU A 19 13.340 1.169 9.030 1.00 0.00 H +ATOM 253 HB3 GLU A 19 14.184 -0.224 9.678 1.00 0.00 H +ATOM 254 HG2 GLU A 19 15.568 -0.100 7.415 1.00 0.00 H +ATOM 255 HG3 GLU A 19 14.970 1.545 7.347 1.00 0.00 H +ATOM 256 N GLY A 20 10.884 -0.065 8.703 1.00 0.00 N +ATOM 257 CA GLY A 20 9.608 -0.302 9.357 1.00 0.00 C +ATOM 258 C GLY A 20 8.885 -1.496 8.732 1.00 0.00 C +ATOM 259 O GLY A 20 7.958 -2.045 9.325 1.00 0.00 O +ATOM 260 H GLY A 20 11.017 0.865 8.361 1.00 0.00 H +ATOM 261 HA2 GLY A 20 9.769 -0.486 10.420 1.00 0.00 H +ATOM 262 HA3 GLY A 20 8.984 0.588 9.279 1.00 0.00 H +ATOM 263 N VAL A 21 9.335 -1.863 7.541 1.00 0.00 N +ATOM 264 CA VAL A 21 8.742 -2.982 6.828 1.00 0.00 C +ATOM 265 C VAL A 21 9.386 -4.285 7.307 1.00 0.00 C +ATOM 266 O VAL A 21 8.770 -5.347 7.238 1.00 0.00 O +ATOM 267 CB VAL A 21 8.874 -2.770 5.319 1.00 0.00 C +ATOM 268 CG1 VAL A 21 10.345 -2.731 4.897 1.00 0.00 C +ATOM 269 CG2 VAL A 21 8.110 -3.846 4.545 1.00 0.00 C +ATOM 270 H VAL A 21 10.090 -1.411 7.065 1.00 0.00 H +ATOM 271 HA VAL A 21 7.681 -3.003 7.075 1.00 0.00 H +ATOM 272 HB VAL A 21 8.431 -1.804 5.076 1.00 0.00 H +ATOM 273 HG11 VAL A 21 10.422 -2.938 3.829 1.00 0.00 H +ATOM 274 HG12 VAL A 21 10.757 -1.744 5.107 1.00 0.00 H +ATOM 275 HG13 VAL A 21 10.902 -3.484 5.454 1.00 0.00 H +ATOM 276 HG21 VAL A 21 8.342 -3.764 3.483 1.00 0.00 H +ATOM 277 HG22 VAL A 21 8.404 -4.831 4.906 1.00 0.00 H +ATOM 278 HG23 VAL A 21 7.039 -3.709 4.695 1.00 0.00 H +ATOM 279 N ARG A 22 10.616 -4.160 7.782 1.00 0.00 N +ATOM 280 CA ARG A 22 11.350 -5.314 8.273 1.00 0.00 C +ATOM 281 C ARG A 22 11.353 -5.331 9.803 1.00 0.00 C +ATOM 282 O ARG A 22 11.217 -6.388 10.416 1.00 0.00 O +ATOM 283 CB ARG A 22 12.794 -5.305 7.767 1.00 0.00 C +ATOM 284 CG ARG A 22 13.400 -3.904 7.865 1.00 0.00 C +ATOM 285 CD ARG A 22 14.888 -3.924 7.507 1.00 0.00 C +ATOM 286 NE ARG A 22 15.668 -3.214 8.544 1.00 0.00 N +ATOM 287 CZ ARG A 22 16.105 -3.782 9.676 1.00 0.00 C +ATOM 288 NH1 ARG A 22 15.841 -5.072 9.924 1.00 0.00 N +ATOM 289 NH2 ARG A 22 16.806 -3.060 10.561 1.00 0.00 N +ATOM 290 H ARG A 22 11.110 -3.292 7.835 1.00 0.00 H +ATOM 291 HA ARG A 22 10.814 -6.175 7.873 1.00 0.00 H +ATOM 292 HB2 ARG A 22 13.391 -6.006 8.349 1.00 0.00 H +ATOM 293 HB3 ARG A 22 12.822 -5.646 6.732 1.00 0.00 H +ATOM 294 HG2 ARG A 22 12.870 -3.227 7.195 1.00 0.00 H +ATOM 295 HG3 ARG A 22 13.271 -3.518 8.876 1.00 0.00 H +ATOM 296 HD2 ARG A 22 15.235 -4.954 7.420 1.00 0.00 H +ATOM 297 HD3 ARG A 22 15.043 -3.453 6.536 1.00 0.00 H +ATOM 298 HE ARG A 22 15.882 -2.249 8.391 1.00 0.00 H +ATOM 299 HH11 ARG A 22 15.318 -5.611 9.264 1.00 0.00 H +ATOM 300 HH12 ARG A 22 16.168 -5.496 10.769 1.00 0.00 H +ATOM 301 HH21 ARG A 22 17.003 -2.097 10.376 1.00 0.00 H +ATOM 302 HH22 ARG A 22 17.133 -3.483 11.406 1.00 0.00 H +ATOM 303 N THR A 23 11.509 -4.146 10.375 1.00 0.00 N +ATOM 304 CA THR A 23 11.532 -4.010 11.821 1.00 0.00 C +ATOM 305 C THR A 23 10.109 -4.046 12.383 1.00 0.00 C +ATOM 306 O THR A 23 9.836 -4.760 13.347 1.00 0.00 O +ATOM 307 CB THR A 23 12.288 -2.725 12.164 1.00 0.00 C +ATOM 308 OG1 THR A 23 11.383 -1.684 11.808 1.00 0.00 O +ATOM 309 CG2 THR A 23 13.497 -2.497 11.254 1.00 0.00 C +ATOM 310 H THR A 23 11.619 -3.290 9.869 1.00 0.00 H +ATOM 311 HA THR A 23 12.062 -4.867 12.238 1.00 0.00 H +ATOM 312 HB THR A 23 12.584 -2.716 13.213 1.00 0.00 H +ATOM 313 HG1 THR A 23 11.268 -1.656 10.815 1.00 0.00 H +ATOM 314 HG21 THR A 23 14.314 -2.071 11.836 1.00 0.00 H +ATOM 315 HG22 THR A 23 13.813 -3.447 10.825 1.00 0.00 H +ATOM 316 HG23 THR A 23 13.224 -1.809 10.454 1.00 0.00 H +ATOM 317 N GLY A 24 9.240 -3.267 11.755 1.00 0.00 N +ATOM 318 CA GLY A 24 7.852 -3.201 12.180 1.00 0.00 C +ATOM 319 C GLY A 24 7.486 -1.788 12.639 1.00 0.00 C +ATOM 320 O GLY A 24 7.173 -1.573 13.809 1.00 0.00 O +ATOM 321 H GLY A 24 9.470 -2.690 10.972 1.00 0.00 H +ATOM 322 HA2 GLY A 24 7.202 -3.500 11.358 1.00 0.00 H +ATOM 323 HA3 GLY A 24 7.683 -3.906 12.994 1.00 0.00 H +ATOM 324 N LYS A 25 7.538 -0.861 11.693 1.00 0.00 N +ATOM 325 CA LYS A 25 7.216 0.525 11.986 1.00 0.00 C +ATOM 326 C LYS A 25 7.241 1.335 10.688 1.00 0.00 C +ATOM 327 O LYS A 25 7.795 2.432 10.647 1.00 0.00 O +ATOM 328 CB LYS A 25 8.145 1.074 13.070 1.00 0.00 C +ATOM 329 CG LYS A 25 9.600 0.693 12.790 1.00 0.00 C +ATOM 330 CD LYS A 25 10.248 1.679 11.816 1.00 0.00 C +ATOM 331 CE LYS A 25 11.759 1.456 11.733 1.00 0.00 C +ATOM 332 NZ LYS A 25 12.384 1.645 13.061 1.00 0.00 N +ATOM 333 H LYS A 25 7.794 -1.044 10.744 1.00 0.00 H +ATOM 334 HA LYS A 25 6.203 0.548 12.388 1.00 0.00 H +ATOM 335 HB2 LYS A 25 8.053 2.159 13.120 1.00 0.00 H +ATOM 336 HB3 LYS A 25 7.845 0.685 14.043 1.00 0.00 H +ATOM 337 HG2 LYS A 25 10.162 0.677 13.724 1.00 0.00 H +ATOM 338 HG3 LYS A 25 9.643 -0.314 12.376 1.00 0.00 H +ATOM 339 HD2 LYS A 25 9.804 1.562 10.827 1.00 0.00 H +ATOM 340 HD3 LYS A 25 10.044 2.700 12.138 1.00 0.00 H +ATOM 341 HE2 LYS A 25 11.964 0.450 11.367 1.00 0.00 H +ATOM 342 HE3 LYS A 25 12.196 2.151 11.016 1.00 0.00 H +ATOM 343 HZ1 LYS A 25 13.323 1.969 12.945 1.00 0.00 H +ATOM 344 HZ2 LYS A 25 11.861 2.318 13.583 1.00 0.00 H +ATOM 345 HZ3 LYS A 25 12.391 0.774 13.553 1.00 0.00 H +ATOM 346 N CYS A 26 6.633 0.762 9.659 1.00 0.00 N +ATOM 347 CA CYS A 26 6.578 1.417 8.363 1.00 0.00 C +ATOM 348 C CYS A 26 5.127 1.815 8.087 1.00 0.00 C +ATOM 349 O CYS A 26 4.484 1.256 7.199 1.00 0.00 O +ATOM 350 CB CYS A 26 7.147 0.527 7.256 1.00 0.00 C +ATOM 351 SG CYS A 26 6.956 1.350 5.632 1.00 0.00 S +ATOM 352 H CYS A 26 6.184 -0.131 9.701 1.00 0.00 H +ATOM 353 HA CYS A 26 7.215 2.299 8.431 1.00 0.00 H +ATOM 354 HB2 CYS A 26 8.200 0.323 7.447 1.00 0.00 H +ATOM 355 HB3 CYS A 26 6.631 -0.433 7.249 1.00 0.00 H +ATOM 356 HG CYS A 26 6.988 2.594 6.102 1.00 0.00 H +ATOM 357 N SER A 27 4.652 2.777 8.864 1.00 0.00 N +ATOM 358 CA SER A 27 3.289 3.256 8.714 1.00 0.00 C +ATOM 359 C SER A 27 3.280 4.781 8.592 1.00 0.00 C +ATOM 360 O SER A 27 4.057 5.465 9.257 1.00 0.00 O +ATOM 361 CB SER A 27 2.417 2.813 9.890 1.00 0.00 C +ATOM 362 OG SER A 27 2.724 3.530 11.083 1.00 0.00 O +ATOM 363 H SER A 27 5.181 3.226 9.584 1.00 0.00 H +ATOM 364 HA SER A 27 2.921 2.797 7.797 1.00 0.00 H +ATOM 365 HB2 SER A 27 1.366 2.960 9.639 1.00 0.00 H +ATOM 366 HB3 SER A 27 2.556 1.746 10.063 1.00 0.00 H +ATOM 367 HG SER A 27 2.067 4.273 11.213 1.00 0.00 H +ATOM 368 N PHE A 28 2.393 5.270 7.738 1.00 0.00 N +ATOM 369 CA PHE A 28 2.273 6.702 7.521 1.00 0.00 C +ATOM 370 C PHE A 28 0.805 7.121 7.427 1.00 0.00 C +ATOM 371 O PHE A 28 -0.075 6.279 7.258 1.00 0.00 O +ATOM 372 CB PHE A 28 2.966 7.012 6.192 1.00 0.00 C +ATOM 373 CG PHE A 28 3.103 5.803 5.265 1.00 0.00 C +ATOM 374 CD1 PHE A 28 4.047 4.856 5.516 1.00 0.00 C +ATOM 375 CD2 PHE A 28 2.281 5.674 4.189 1.00 0.00 C +ATOM 376 CE1 PHE A 28 4.174 3.734 4.655 1.00 0.00 C +ATOM 377 CE2 PHE A 28 2.408 4.552 3.328 1.00 0.00 C +ATOM 378 CZ PHE A 28 3.352 3.606 3.579 1.00 0.00 C +ATOM 379 H PHE A 28 1.765 4.707 7.201 1.00 0.00 H +ATOM 380 HA PHE A 28 2.737 7.198 8.373 1.00 0.00 H +ATOM 381 HB2 PHE A 28 2.406 7.791 5.676 1.00 0.00 H +ATOM 382 HB3 PHE A 28 3.958 7.414 6.397 1.00 0.00 H +ATOM 383 HD1 PHE A 28 4.706 4.959 6.378 1.00 0.00 H +ATOM 384 HD2 PHE A 28 1.524 6.433 3.987 1.00 0.00 H +ATOM 385 HE1 PHE A 28 4.931 2.976 4.857 1.00 0.00 H +ATOM 386 HE2 PHE A 28 1.749 4.449 2.466 1.00 0.00 H +ATOM 387 HZ PHE A 28 3.450 2.744 2.919 1.00 0.00 H +ATOM 388 N PRO A 29 0.580 8.457 7.545 1.00 0.00 N +ATOM 389 CA PRO A 29 -0.766 8.999 7.475 1.00 0.00 C +ATOM 390 C PRO A 29 -1.282 9.003 6.034 1.00 0.00 C +ATOM 391 O PRO A 29 -0.719 9.677 5.172 1.00 0.00 O +ATOM 392 CB PRO A 29 -0.662 10.392 8.073 1.00 0.00 C +ATOM 393 CG PRO A 29 0.814 10.755 8.028 1.00 0.00 C +ATOM 394 CD PRO A 29 1.598 9.484 7.746 1.00 0.00 C +ATOM 395 HA PRO A 29 -1.400 8.421 7.990 1.00 0.00 H +ATOM 396 HB2 PRO A 29 -1.257 11.107 7.505 1.00 0.00 H +ATOM 397 HB3 PRO A 29 -1.036 10.407 9.096 1.00 0.00 H +ATOM 398 HG2 PRO A 29 1.000 11.499 7.253 1.00 0.00 H +ATOM 399 HG3 PRO A 29 1.128 11.196 8.974 1.00 0.00 H +ATOM 400 HD2 PRO A 29 2.229 9.595 6.864 1.00 0.00 H +ATOM 401 HD3 PRO A 29 2.256 9.232 8.578 1.00 0.00 H +ATOM 402 N VAL A 30 -2.346 8.245 5.818 1.00 0.00 N +ATOM 403 CA VAL A 30 -2.943 8.153 4.496 1.00 0.00 C +ATOM 404 C VAL A 30 -4.461 8.022 4.635 1.00 0.00 C +ATOM 405 O VAL A 30 -4.983 7.956 5.747 1.00 0.00 O +ATOM 406 CB VAL A 30 -2.313 6.998 3.716 1.00 0.00 C +ATOM 407 CG1 VAL A 30 -0.828 6.853 4.055 1.00 0.00 C +ATOM 408 CG2 VAL A 30 -3.064 5.690 3.971 1.00 0.00 C +ATOM 409 H VAL A 30 -2.798 7.700 6.524 1.00 0.00 H +ATOM 410 HA VAL A 30 -2.718 9.080 3.968 1.00 0.00 H +ATOM 411 HB VAL A 30 -2.393 7.228 2.653 1.00 0.00 H +ATOM 412 HG11 VAL A 30 -0.424 5.975 3.551 1.00 0.00 H +ATOM 413 HG12 VAL A 30 -0.291 7.741 3.722 1.00 0.00 H +ATOM 414 HG13 VAL A 30 -0.711 6.740 5.133 1.00 0.00 H +ATOM 415 HG21 VAL A 30 -2.935 5.394 5.012 1.00 0.00 H +ATOM 416 HG22 VAL A 30 -4.124 5.833 3.763 1.00 0.00 H +ATOM 417 HG23 VAL A 30 -2.668 4.910 3.320 1.00 0.00 H +ATOM 418 N LYS A 31 -5.128 7.990 3.491 1.00 0.00 N +ATOM 419 CA LYS A 31 -6.576 7.868 3.471 1.00 0.00 C +ATOM 420 C LYS A 31 -6.967 6.607 2.699 1.00 0.00 C +ATOM 421 O LYS A 31 -6.312 6.244 1.723 1.00 0.00 O +ATOM 422 CB LYS A 31 -7.213 9.147 2.923 1.00 0.00 C +ATOM 423 CG LYS A 31 -7.224 10.252 3.981 1.00 0.00 C +ATOM 424 CD LYS A 31 -6.433 11.473 3.508 1.00 0.00 C +ATOM 425 CE LYS A 31 -7.299 12.380 2.631 1.00 0.00 C +ATOM 426 NZ LYS A 31 -7.090 13.800 2.992 1.00 0.00 N +ATOM 427 H LYS A 31 -4.696 8.045 2.590 1.00 0.00 H +ATOM 428 HA LYS A 31 -6.908 7.759 4.503 1.00 0.00 H +ATOM 429 HB2 LYS A 31 -6.663 9.485 2.045 1.00 0.00 H +ATOM 430 HB3 LYS A 31 -8.233 8.939 2.599 1.00 0.00 H +ATOM 431 HG2 LYS A 31 -8.252 10.542 4.199 1.00 0.00 H +ATOM 432 HG3 LYS A 31 -6.796 9.874 4.910 1.00 0.00 H +ATOM 433 HD2 LYS A 31 -6.070 12.032 4.370 1.00 0.00 H +ATOM 434 HD3 LYS A 31 -5.557 11.147 2.946 1.00 0.00 H +ATOM 435 HE2 LYS A 31 -7.051 12.225 1.581 1.00 0.00 H +ATOM 436 HE3 LYS A 31 -8.350 12.118 2.753 1.00 0.00 H +ATOM 437 HZ1 LYS A 31 -6.205 14.107 2.643 1.00 0.00 H +ATOM 438 HZ2 LYS A 31 -7.818 14.357 2.590 1.00 0.00 H +ATOM 439 HZ3 LYS A 31 -7.108 13.898 3.987 1.00 0.00 H +ATOM 440 N TYR A 32 -8.032 5.972 3.166 1.00 0.00 N +ATOM 441 CA TYR A 32 -8.518 4.759 2.532 1.00 0.00 C +ATOM 442 C TYR A 32 -9.663 5.066 1.564 1.00 0.00 C +ATOM 443 O TYR A 32 -10.784 5.339 1.990 1.00 0.00 O +ATOM 444 CB TYR A 32 -9.047 3.874 3.663 1.00 0.00 C +ATOM 445 CG TYR A 32 -9.526 2.496 3.204 1.00 0.00 C +ATOM 446 CD1 TYR A 32 -9.006 1.932 2.057 1.00 0.00 C +ATOM 447 CD2 TYR A 32 -10.479 1.817 3.936 1.00 0.00 C +ATOM 448 CE1 TYR A 32 -9.457 0.634 1.625 1.00 0.00 C +ATOM 449 CE2 TYR A 32 -10.930 0.520 3.503 1.00 0.00 C +ATOM 450 CZ TYR A 32 -10.397 -0.007 2.369 1.00 0.00 C +ATOM 451 OH TYR A 32 -10.823 -1.233 1.960 1.00 0.00 O +ATOM 452 H TYR A 32 -8.559 6.274 3.961 1.00 0.00 H +ATOM 453 HA TYR A 32 -7.692 4.315 1.977 1.00 0.00 H +ATOM 454 HB2 TYR A 32 -8.260 3.745 4.407 1.00 0.00 H +ATOM 455 HB3 TYR A 32 -9.871 4.388 4.158 1.00 0.00 H +ATOM 456 HD1 TYR A 32 -8.253 2.468 1.479 1.00 0.00 H +ATOM 457 HD2 TYR A 32 -10.890 2.263 4.842 1.00 0.00 H +ATOM 458 HE1 TYR A 32 -9.054 0.177 0.721 1.00 0.00 H +ATOM 459 HE2 TYR A 32 -11.682 -0.027 4.072 1.00 0.00 H +ATOM 460 HH TYR A 32 -10.949 -1.832 2.751 1.00 0.00 H +ATOM 461 N LEU A 33 -9.340 5.012 0.280 1.00 0.00 N +ATOM 462 CA LEU A 33 -10.327 5.282 -0.751 1.00 0.00 C +ATOM 463 C LEU A 33 -11.290 4.098 -0.851 1.00 0.00 C +ATOM 464 O LEU A 33 -12.507 4.279 -0.828 1.00 0.00 O +ATOM 465 CB LEU A 33 -9.639 5.627 -2.074 1.00 0.00 C +ATOM 466 CG LEU A 33 -8.746 6.870 -2.061 1.00 0.00 C +ATOM 467 CD1 LEU A 33 -7.782 6.865 -3.249 1.00 0.00 C +ATOM 468 CD2 LEU A 33 -9.586 8.148 -2.009 1.00 0.00 C +ATOM 469 H LEU A 33 -8.425 4.790 -0.057 1.00 0.00 H +ATOM 470 HA LEU A 33 -10.891 6.161 -0.442 1.00 0.00 H +ATOM 471 HB2 LEU A 33 -9.035 4.773 -2.380 1.00 0.00 H +ATOM 472 HB3 LEU A 33 -10.407 5.764 -2.835 1.00 0.00 H +ATOM 473 HG LEU A 33 -8.141 6.846 -1.155 1.00 0.00 H +ATOM 474 HD11 LEU A 33 -7.175 7.770 -3.228 1.00 0.00 H +ATOM 475 HD12 LEU A 33 -7.134 5.991 -3.187 1.00 0.00 H +ATOM 476 HD13 LEU A 33 -8.351 6.830 -4.178 1.00 0.00 H +ATOM 477 HD21 LEU A 33 -9.049 8.956 -2.505 1.00 0.00 H +ATOM 478 HD22 LEU A 33 -10.536 7.979 -2.516 1.00 0.00 H +ATOM 479 HD23 LEU A 33 -9.772 8.419 -0.970 1.00 0.00 H +ATOM 480 N GLY A 34 -10.711 2.911 -0.959 1.00 0.00 N +ATOM 481 CA GLY A 34 -11.503 1.698 -1.062 1.00 0.00 C +ATOM 482 C GLY A 34 -10.864 0.707 -2.037 1.00 0.00 C +ATOM 483 O GLY A 34 -9.712 0.875 -2.433 1.00 0.00 O +ATOM 484 H GLY A 34 -9.721 2.772 -0.977 1.00 0.00 H +ATOM 485 HA2 GLY A 34 -11.598 1.236 -0.079 1.00 0.00 H +ATOM 486 HA3 GLY A 34 -12.511 1.944 -1.397 1.00 0.00 H +ATOM 487 N HIS A 35 -11.640 -0.305 -2.396 1.00 0.00 N +ATOM 488 CA HIS A 35 -11.165 -1.323 -3.317 1.00 0.00 C +ATOM 489 C HIS A 35 -12.061 -1.353 -4.557 1.00 0.00 C +ATOM 490 O HIS A 35 -13.285 -1.329 -4.443 1.00 0.00 O +ATOM 491 CB HIS A 35 -11.069 -2.683 -2.622 1.00 0.00 C +ATOM 492 CG HIS A 35 -12.201 -2.963 -1.662 1.00 0.00 C +ATOM 493 ND1 HIS A 35 -12.000 -3.502 -0.403 1.00 0.00 N +ATOM 494 CD2 HIS A 35 -13.545 -2.772 -1.789 1.00 0.00 C +ATOM 495 CE1 HIS A 35 -13.178 -3.626 0.192 1.00 0.00 C +ATOM 496 NE2 HIS A 35 -14.134 -3.174 -0.669 1.00 0.00 N +ATOM 497 H HIS A 35 -12.576 -0.435 -2.069 1.00 0.00 H +ATOM 498 HA HIS A 35 -10.158 -1.031 -3.614 1.00 0.00 H +ATOM 499 HB2 HIS A 35 -11.047 -3.466 -3.379 1.00 0.00 H +ATOM 500 HB3 HIS A 35 -10.125 -2.737 -2.080 1.00 0.00 H +ATOM 501 HD1 HIS A 35 -11.116 -3.754 -0.009 1.00 0.00 H +ATOM 502 HD2 HIS A 35 -14.050 -2.360 -2.663 1.00 0.00 H +ATOM 503 HE1 HIS A 35 -13.351 -4.020 1.193 1.00 0.00 H +ATOM 504 N VAL A 36 -11.415 -1.405 -5.713 1.00 0.00 N +ATOM 505 CA VAL A 36 -12.138 -1.438 -6.972 1.00 0.00 C +ATOM 506 C VAL A 36 -11.759 -2.706 -7.740 1.00 0.00 C +ATOM 507 O VAL A 36 -10.752 -3.343 -7.435 1.00 0.00 O +ATOM 508 CB VAL A 36 -11.869 -0.157 -7.764 1.00 0.00 C +ATOM 509 CG1 VAL A 36 -12.217 1.082 -6.937 1.00 0.00 C +ATOM 510 CG2 VAL A 36 -10.418 -0.105 -8.246 1.00 0.00 C +ATOM 511 H VAL A 36 -10.419 -1.425 -5.797 1.00 0.00 H +ATOM 512 HA VAL A 36 -13.203 -1.474 -6.740 1.00 0.00 H +ATOM 513 HB VAL A 36 -12.514 -0.165 -8.643 1.00 0.00 H +ATOM 514 HG11 VAL A 36 -11.299 1.585 -6.632 1.00 0.00 H +ATOM 515 HG12 VAL A 36 -12.821 1.762 -7.537 1.00 0.00 H +ATOM 516 HG13 VAL A 36 -12.779 0.782 -6.052 1.00 0.00 H +ATOM 517 HG21 VAL A 36 -10.090 -1.108 -8.520 1.00 0.00 H +ATOM 518 HG22 VAL A 36 -10.347 0.550 -9.114 1.00 0.00 H +ATOM 519 HG23 VAL A 36 -9.783 0.280 -7.447 1.00 0.00 H +ATOM 520 N GLU A 37 -12.586 -3.035 -8.721 1.00 0.00 N +ATOM 521 CA GLU A 37 -12.350 -4.216 -9.535 1.00 0.00 C +ATOM 522 C GLU A 37 -11.481 -3.862 -10.743 1.00 0.00 C +ATOM 523 O GLU A 37 -11.456 -2.713 -11.180 1.00 0.00 O +ATOM 524 CB GLU A 37 -13.670 -4.851 -9.976 1.00 0.00 C +ATOM 525 CG GLU A 37 -14.002 -6.076 -9.123 1.00 0.00 C +ATOM 526 CD GLU A 37 -15.012 -5.725 -8.028 1.00 0.00 C +ATOM 527 OE1 GLU A 37 -15.720 -4.712 -8.214 1.00 0.00 O +ATOM 528 OE2 GLU A 37 -15.053 -6.478 -7.031 1.00 0.00 O +ATOM 529 H GLU A 37 -13.404 -2.512 -8.963 1.00 0.00 H +ATOM 530 HA GLU A 37 -11.818 -4.912 -8.887 1.00 0.00 H +ATOM 531 HB2 GLU A 37 -14.474 -4.119 -9.897 1.00 0.00 H +ATOM 532 HB3 GLU A 37 -13.606 -5.140 -11.025 1.00 0.00 H +ATOM 533 HG2 GLU A 37 -14.406 -6.866 -9.756 1.00 0.00 H +ATOM 534 HG3 GLU A 37 -13.090 -6.466 -8.669 1.00 0.00 H +ATOM 535 N VAL A 38 -10.788 -4.872 -11.250 1.00 0.00 N +ATOM 536 CA VAL A 38 -9.920 -4.683 -12.399 1.00 0.00 C +ATOM 537 C VAL A 38 -10.278 -5.707 -13.478 1.00 0.00 C +ATOM 538 O VAL A 38 -11.275 -6.418 -13.358 1.00 0.00 O +ATOM 539 CB VAL A 38 -8.454 -4.759 -11.965 1.00 0.00 C +ATOM 540 CG1 VAL A 38 -8.159 -3.751 -10.853 1.00 0.00 C +ATOM 541 CG2 VAL A 38 -8.084 -6.178 -11.532 1.00 0.00 C +ATOM 542 H VAL A 38 -10.814 -5.805 -10.889 1.00 0.00 H +ATOM 543 HA VAL A 38 -10.105 -3.682 -12.790 1.00 0.00 H +ATOM 544 HB VAL A 38 -7.837 -4.499 -12.825 1.00 0.00 H +ATOM 545 HG11 VAL A 38 -7.114 -3.446 -10.907 1.00 0.00 H +ATOM 546 HG12 VAL A 38 -8.799 -2.877 -10.975 1.00 0.00 H +ATOM 547 HG13 VAL A 38 -8.353 -4.211 -9.884 1.00 0.00 H +ATOM 548 HG21 VAL A 38 -8.054 -6.829 -12.406 1.00 0.00 H +ATOM 549 HG22 VAL A 38 -7.104 -6.168 -11.053 1.00 0.00 H +ATOM 550 HG23 VAL A 38 -8.828 -6.549 -10.828 1.00 0.00 H +ATOM 551 N ASP A 39 -9.445 -5.750 -14.508 1.00 0.00 N +ATOM 552 CA ASP A 39 -9.662 -6.675 -15.607 1.00 0.00 C +ATOM 553 C ASP A 39 -8.332 -7.331 -15.984 1.00 0.00 C +ATOM 554 O ASP A 39 -8.258 -8.549 -16.137 1.00 0.00 O +ATOM 555 CB ASP A 39 -10.198 -5.948 -16.842 1.00 0.00 C +ATOM 556 CG ASP A 39 -11.193 -6.749 -17.683 1.00 0.00 C +ATOM 557 OD1 ASP A 39 -10.720 -7.467 -18.590 1.00 0.00 O +ATOM 558 OD2 ASP A 39 -12.404 -6.626 -17.400 1.00 0.00 O +ATOM 559 H ASP A 39 -8.637 -5.168 -14.598 1.00 0.00 H +ATOM 560 HA ASP A 39 -10.391 -7.395 -15.236 1.00 0.00 H +ATOM 561 HB2 ASP A 39 -10.678 -5.023 -16.520 1.00 0.00 H +ATOM 562 HB3 ASP A 39 -9.355 -5.666 -17.473 1.00 0.00 H +ATOM 563 N GLU A 40 -7.314 -6.494 -16.124 1.00 0.00 N +ATOM 564 CA GLU A 40 -5.992 -6.978 -16.481 1.00 0.00 C +ATOM 565 C GLU A 40 -5.280 -7.537 -15.248 1.00 0.00 C +ATOM 566 O GLU A 40 -4.683 -8.611 -15.305 1.00 0.00 O +ATOM 567 CB GLU A 40 -5.162 -5.872 -17.138 1.00 0.00 C +ATOM 568 CG GLU A 40 -5.971 -5.146 -18.214 1.00 0.00 C +ATOM 569 CD GLU A 40 -5.871 -5.871 -19.558 1.00 0.00 C +ATOM 570 OE1 GLU A 40 -4.722 -6.107 -19.991 1.00 0.00 O +ATOM 571 OE2 GLU A 40 -6.945 -6.173 -20.122 1.00 0.00 O +ATOM 572 H GLU A 40 -7.383 -5.505 -15.998 1.00 0.00 H +ATOM 573 HA GLU A 40 -6.160 -7.775 -17.205 1.00 0.00 H +ATOM 574 HB2 GLU A 40 -4.836 -5.159 -16.381 1.00 0.00 H +ATOM 575 HB3 GLU A 40 -4.264 -6.301 -17.581 1.00 0.00 H +ATOM 576 HG2 GLU A 40 -7.016 -5.083 -17.909 1.00 0.00 H +ATOM 577 HG3 GLU A 40 -5.608 -4.124 -18.320 1.00 0.00 H +ATOM 578 N SER A 41 -5.368 -6.784 -14.161 1.00 0.00 N +ATOM 579 CA SER A 41 -4.740 -7.192 -12.915 1.00 0.00 C +ATOM 580 C SER A 41 -3.272 -6.760 -12.904 1.00 0.00 C +ATOM 581 O SER A 41 -2.541 -7.058 -11.960 1.00 0.00 O +ATOM 582 CB SER A 41 -4.850 -8.704 -12.712 1.00 0.00 C +ATOM 583 OG SER A 41 -4.829 -9.060 -11.332 1.00 0.00 O +ATOM 584 H SER A 41 -5.856 -5.912 -14.123 1.00 0.00 H +ATOM 585 HA SER A 41 -5.296 -6.678 -12.131 1.00 0.00 H +ATOM 586 HB2 SER A 41 -5.774 -9.064 -13.165 1.00 0.00 H +ATOM 587 HB3 SER A 41 -4.028 -9.200 -13.227 1.00 0.00 H +ATOM 588 HG SER A 41 -3.916 -8.910 -10.954 1.00 0.00 H +ATOM 589 N ARG A 42 -2.884 -6.066 -13.964 1.00 0.00 N +ATOM 590 CA ARG A 42 -1.517 -5.591 -14.087 1.00 0.00 C +ATOM 591 C ARG A 42 -1.438 -4.460 -15.116 1.00 0.00 C +ATOM 592 O ARG A 42 -1.766 -4.657 -16.285 1.00 0.00 O +ATOM 593 CB ARG A 42 -0.577 -6.721 -14.510 1.00 0.00 C +ATOM 594 CG ARG A 42 -0.976 -7.285 -15.874 1.00 0.00 C +ATOM 595 CD ARG A 42 -0.102 -6.701 -16.986 1.00 0.00 C +ATOM 596 NE ARG A 42 0.755 -7.759 -17.565 1.00 0.00 N +ATOM 597 CZ ARG A 42 1.721 -7.535 -18.466 1.00 0.00 C +ATOM 598 NH1 ARG A 42 1.959 -6.288 -18.896 1.00 0.00 N +ATOM 599 NH2 ARG A 42 2.450 -8.556 -18.936 1.00 0.00 N +ATOM 600 H ARG A 42 -3.485 -5.828 -14.727 1.00 0.00 H +ATOM 601 HA ARG A 42 -1.255 -5.233 -13.091 1.00 0.00 H +ATOM 602 HB2 ARG A 42 0.448 -6.351 -14.551 1.00 0.00 H +ATOM 603 HB3 ARG A 42 -0.599 -7.515 -13.763 1.00 0.00 H +ATOM 604 HG2 ARG A 42 -0.881 -8.371 -15.865 1.00 0.00 H +ATOM 605 HG3 ARG A 42 -2.024 -7.059 -16.073 1.00 0.00 H +ATOM 606 HD2 ARG A 42 -0.731 -6.265 -17.763 1.00 0.00 H +ATOM 607 HD3 ARG A 42 0.517 -5.897 -16.589 1.00 0.00 H +ATOM 608 HE ARG A 42 0.604 -8.701 -17.266 1.00 0.00 H +ATOM 609 HH11 ARG A 42 1.416 -5.526 -18.545 1.00 0.00 H +ATOM 610 HH12 ARG A 42 2.680 -6.120 -19.569 1.00 0.00 H +ATOM 611 HH21 ARG A 42 2.272 -9.486 -18.615 1.00 0.00 H +ATOM 612 HH22 ARG A 42 3.171 -8.388 -19.609 1.00 0.00 H +ATOM 613 N GLY A 43 -1.002 -3.302 -14.643 1.00 0.00 N +ATOM 614 CA GLY A 43 -0.876 -2.141 -15.507 1.00 0.00 C +ATOM 615 C GLY A 43 -0.734 -0.858 -14.684 1.00 0.00 C +ATOM 616 O GLY A 43 -1.635 -0.499 -13.928 1.00 0.00 O +ATOM 617 H GLY A 43 -0.737 -3.151 -13.690 1.00 0.00 H +ATOM 618 HA2 GLY A 43 -0.009 -2.258 -16.156 1.00 0.00 H +ATOM 619 HA3 GLY A 43 -1.751 -2.068 -16.153 1.00 0.00 H +ATOM 620 N MET A 44 0.404 -0.204 -14.860 1.00 0.00 N +ATOM 621 CA MET A 44 0.676 1.031 -14.143 1.00 0.00 C +ATOM 622 C MET A 44 -0.435 2.056 -14.378 1.00 0.00 C +ATOM 623 O MET A 44 -0.641 2.952 -13.560 1.00 0.00 O +ATOM 624 CB MET A 44 2.012 1.609 -14.612 1.00 0.00 C +ATOM 625 CG MET A 44 3.158 0.633 -14.338 1.00 0.00 C +ATOM 626 SD MET A 44 4.292 0.621 -15.717 1.00 0.00 S +ATOM 627 CE MET A 44 3.579 -0.694 -16.692 1.00 0.00 C +ATOM 628 H MET A 44 1.132 -0.503 -15.477 1.00 0.00 H +ATOM 629 HA MET A 44 0.710 0.756 -13.089 1.00 0.00 H +ATOM 630 HB2 MET A 44 1.964 1.829 -15.678 1.00 0.00 H +ATOM 631 HB3 MET A 44 2.203 2.553 -14.100 1.00 0.00 H +ATOM 632 HG2 MET A 44 3.684 0.922 -13.427 1.00 0.00 H +ATOM 633 HG3 MET A 44 2.762 -0.369 -14.173 1.00 0.00 H +ATOM 634 HE1 MET A 44 3.547 -1.609 -16.100 1.00 0.00 H +ATOM 635 HE2 MET A 44 2.567 -0.418 -16.989 1.00 0.00 H +ATOM 636 HE3 MET A 44 4.187 -0.857 -17.581 1.00 0.00 H +ATOM 637 N HIS A 45 -1.122 1.892 -15.499 1.00 0.00 N +ATOM 638 CA HIS A 45 -2.206 2.792 -15.851 1.00 0.00 C +ATOM 639 C HIS A 45 -3.505 2.309 -15.203 1.00 0.00 C +ATOM 640 O HIS A 45 -4.475 3.061 -15.114 1.00 0.00 O +ATOM 641 CB HIS A 45 -2.320 2.937 -17.370 1.00 0.00 C +ATOM 642 CG HIS A 45 -2.676 1.655 -18.085 1.00 0.00 C +ATOM 643 ND1 HIS A 45 -1.724 0.809 -18.625 1.00 0.00 N +ATOM 644 CD2 HIS A 45 -3.888 1.085 -18.341 1.00 0.00 C +ATOM 645 CE1 HIS A 45 -2.346 -0.221 -19.180 1.00 0.00 C +ATOM 646 NE2 HIS A 45 -3.687 -0.048 -19.003 1.00 0.00 N +ATOM 647 H HIS A 45 -0.948 1.161 -16.159 1.00 0.00 H +ATOM 648 HA HIS A 45 -1.947 3.769 -15.443 1.00 0.00 H +ATOM 649 HB2 HIS A 45 -3.075 3.690 -17.597 1.00 0.00 H +ATOM 650 HB3 HIS A 45 -1.373 3.308 -17.761 1.00 0.00 H +ATOM 651 HD1 HIS A 45 -0.734 0.951 -18.601 1.00 0.00 H +ATOM 652 HD2 HIS A 45 -4.857 1.491 -18.051 1.00 0.00 H +ATOM 653 HE1 HIS A 45 -1.870 -1.059 -19.688 1.00 0.00 H +ATOM 654 N ILE A 46 -3.482 1.059 -14.767 1.00 0.00 N +ATOM 655 CA ILE A 46 -4.646 0.467 -14.129 1.00 0.00 C +ATOM 656 C ILE A 46 -4.866 1.126 -12.766 1.00 0.00 C +ATOM 657 O ILE A 46 -5.928 1.690 -12.509 1.00 0.00 O +ATOM 658 CB ILE A 46 -4.503 -1.055 -14.060 1.00 0.00 C +ATOM 659 CG1 ILE A 46 -4.131 -1.633 -15.427 1.00 0.00 C +ATOM 660 CG2 ILE A 46 -5.769 -1.699 -13.491 1.00 0.00 C +ATOM 661 CD1 ILE A 46 -5.371 -1.796 -16.309 1.00 0.00 C +ATOM 662 H ILE A 46 -2.689 0.454 -14.843 1.00 0.00 H +ATOM 663 HA ILE A 46 -5.509 0.682 -14.760 1.00 0.00 H +ATOM 664 HB ILE A 46 -3.687 -1.291 -13.378 1.00 0.00 H +ATOM 665 HG12 ILE A 46 -3.413 -0.977 -15.920 1.00 0.00 H +ATOM 666 HG13 ILE A 46 -3.644 -2.599 -15.297 1.00 0.00 H +ATOM 667 HG21 ILE A 46 -6.571 -0.962 -13.464 1.00 0.00 H +ATOM 668 HG22 ILE A 46 -6.066 -2.536 -14.122 1.00 0.00 H +ATOM 669 HG23 ILE A 46 -5.571 -2.058 -12.481 1.00 0.00 H +ATOM 670 HD11 ILE A 46 -5.143 -1.460 -17.321 1.00 0.00 H +ATOM 671 HD12 ILE A 46 -5.665 -2.845 -16.332 1.00 0.00 H +ATOM 672 HD13 ILE A 46 -6.187 -1.199 -15.903 1.00 0.00 H +ATOM 673 N CYS A 47 -3.844 1.033 -11.928 1.00 0.00 N +ATOM 674 CA CYS A 47 -3.912 1.613 -10.597 1.00 0.00 C +ATOM 675 C CYS A 47 -4.598 2.976 -10.702 1.00 0.00 C +ATOM 676 O CYS A 47 -5.560 3.248 -9.985 1.00 0.00 O +ATOM 677 CB CYS A 47 -2.527 1.719 -9.955 1.00 0.00 C +ATOM 678 SG CYS A 47 -1.767 0.059 -9.828 1.00 0.00 S +ATOM 679 H CYS A 47 -2.983 0.572 -12.144 1.00 0.00 H +ATOM 680 HA CYS A 47 -4.502 0.929 -9.987 1.00 0.00 H +ATOM 681 HB2 CYS A 47 -1.891 2.375 -10.549 1.00 0.00 H +ATOM 682 HB3 CYS A 47 -2.610 2.167 -8.964 1.00 0.00 H +ATOM 683 HG CYS A 47 -1.384 0.178 -8.560 1.00 0.00 H +ATOM 684 N GLU A 48 -4.077 3.798 -11.602 1.00 0.00 N +ATOM 685 CA GLU A 48 -4.628 5.126 -11.810 1.00 0.00 C +ATOM 686 C GLU A 48 -6.118 5.037 -12.144 1.00 0.00 C +ATOM 687 O GLU A 48 -6.932 5.753 -11.563 1.00 0.00 O +ATOM 688 CB GLU A 48 -3.864 5.871 -12.907 1.00 0.00 C +ATOM 689 CG GLU A 48 -2.714 6.689 -12.315 1.00 0.00 C +ATOM 690 CD GLU A 48 -1.486 5.811 -12.068 1.00 0.00 C +ATOM 691 OE1 GLU A 48 -1.470 5.142 -11.012 1.00 0.00 O +ATOM 692 OE2 GLU A 48 -0.591 5.827 -12.940 1.00 0.00 O +ATOM 693 H GLU A 48 -3.295 3.569 -12.181 1.00 0.00 H +ATOM 694 HA GLU A 48 -4.491 5.648 -10.863 1.00 0.00 H +ATOM 695 HB2 GLU A 48 -3.472 5.157 -13.631 1.00 0.00 H +ATOM 696 HB3 GLU A 48 -4.544 6.530 -13.446 1.00 0.00 H +ATOM 697 HG2 GLU A 48 -2.454 7.501 -12.995 1.00 0.00 H +ATOM 698 HG3 GLU A 48 -3.033 7.147 -11.379 1.00 0.00 H +ATOM 699 N ASP A 49 -6.430 4.151 -13.078 1.00 0.00 N +ATOM 700 CA ASP A 49 -7.809 3.959 -13.496 1.00 0.00 C +ATOM 701 C ASP A 49 -8.668 3.634 -12.272 1.00 0.00 C +ATOM 702 O ASP A 49 -9.867 3.905 -12.262 1.00 0.00 O +ATOM 703 CB ASP A 49 -7.928 2.793 -14.480 1.00 0.00 C +ATOM 704 CG ASP A 49 -8.540 3.151 -15.836 1.00 0.00 C +ATOM 705 OD1 ASP A 49 -8.315 4.300 -16.274 1.00 0.00 O +ATOM 706 OD2 ASP A 49 -9.220 2.268 -16.403 1.00 0.00 O +ATOM 707 H ASP A 49 -5.762 3.572 -13.545 1.00 0.00 H +ATOM 708 HA ASP A 49 -8.097 4.896 -13.972 1.00 0.00 H +ATOM 709 HB2 ASP A 49 -6.936 2.374 -14.646 1.00 0.00 H +ATOM 710 HB3 ASP A 49 -8.532 2.010 -14.021 1.00 0.00 H +ATOM 711 N ALA A 50 -8.020 3.059 -11.270 1.00 0.00 N +ATOM 712 CA ALA A 50 -8.710 2.694 -10.044 1.00 0.00 C +ATOM 713 C ALA A 50 -9.177 3.964 -9.330 1.00 0.00 C +ATOM 714 O ALA A 50 -10.376 4.181 -9.162 1.00 0.00 O +ATOM 715 CB ALA A 50 -7.786 1.842 -9.172 1.00 0.00 C +ATOM 716 H ALA A 50 -7.044 2.841 -11.286 1.00 0.00 H +ATOM 717 HA ALA A 50 -9.581 2.100 -10.318 1.00 0.00 H +ATOM 718 HB1 ALA A 50 -7.328 2.469 -8.407 1.00 0.00 H +ATOM 719 HB2 ALA A 50 -8.364 1.051 -8.695 1.00 0.00 H +ATOM 720 HB3 ALA A 50 -7.007 1.399 -9.793 1.00 0.00 H +ATOM 721 N VAL A 51 -8.205 4.772 -8.930 1.00 0.00 N +ATOM 722 CA VAL A 51 -8.502 6.014 -8.239 1.00 0.00 C +ATOM 723 C VAL A 51 -9.666 6.718 -8.939 1.00 0.00 C +ATOM 724 O VAL A 51 -10.710 6.953 -8.332 1.00 0.00 O +ATOM 725 CB VAL A 51 -7.243 6.880 -8.156 1.00 0.00 C +ATOM 726 CG1 VAL A 51 -7.466 8.085 -7.238 1.00 0.00 C +ATOM 727 CG2 VAL A 51 -6.040 6.056 -7.695 1.00 0.00 C +ATOM 728 H VAL A 51 -7.232 4.588 -9.072 1.00 0.00 H +ATOM 729 HA VAL A 51 -8.805 5.761 -7.223 1.00 0.00 H +ATOM 730 HB VAL A 51 -7.029 7.257 -9.156 1.00 0.00 H +ATOM 731 HG11 VAL A 51 -7.106 7.850 -6.237 1.00 0.00 H +ATOM 732 HG12 VAL A 51 -6.921 8.944 -7.628 1.00 0.00 H +ATOM 733 HG13 VAL A 51 -8.530 8.318 -7.196 1.00 0.00 H +ATOM 734 HG21 VAL A 51 -5.542 5.624 -8.564 1.00 0.00 H +ATOM 735 HG22 VAL A 51 -5.342 6.699 -7.159 1.00 0.00 H +ATOM 736 HG23 VAL A 51 -6.378 5.256 -7.036 1.00 0.00 H +ATOM 737 N LYS A 52 -9.448 7.034 -10.207 1.00 0.00 N +ATOM 738 CA LYS A 52 -10.466 7.705 -10.997 1.00 0.00 C +ATOM 739 C LYS A 52 -11.823 7.047 -10.738 1.00 0.00 C +ATOM 740 O LYS A 52 -12.816 7.735 -10.507 1.00 0.00 O +ATOM 741 CB LYS A 52 -10.068 7.732 -12.474 1.00 0.00 C +ATOM 742 CG LYS A 52 -8.897 8.689 -12.709 1.00 0.00 C +ATOM 743 CD LYS A 52 -7.639 7.925 -13.126 1.00 0.00 C +ATOM 744 CE LYS A 52 -7.047 8.504 -14.412 1.00 0.00 C +ATOM 745 NZ LYS A 52 -7.835 8.067 -15.587 1.00 0.00 N +ATOM 746 H LYS A 52 -8.596 6.839 -10.694 1.00 0.00 H +ATOM 747 HA LYS A 52 -10.514 8.740 -10.657 1.00 0.00 H +ATOM 748 HB2 LYS A 52 -9.792 6.729 -12.799 1.00 0.00 H +ATOM 749 HB3 LYS A 52 -10.920 8.040 -13.079 1.00 0.00 H +ATOM 750 HG2 LYS A 52 -9.162 9.410 -13.482 1.00 0.00 H +ATOM 751 HG3 LYS A 52 -8.698 9.256 -11.799 1.00 0.00 H +ATOM 752 HD2 LYS A 52 -6.899 7.973 -12.327 1.00 0.00 H +ATOM 753 HD3 LYS A 52 -7.881 6.872 -13.273 1.00 0.00 H +ATOM 754 HE2 LYS A 52 -7.037 9.592 -14.358 1.00 0.00 H +ATOM 755 HE3 LYS A 52 -6.012 8.180 -14.521 1.00 0.00 H +ATOM 756 HZ1 LYS A 52 -8.063 8.862 -16.149 1.00 0.00 H +ATOM 757 HZ2 LYS A 52 -7.297 7.420 -16.127 1.00 0.00 H +ATOM 758 HZ3 LYS A 52 -8.677 7.625 -15.278 1.00 0.00 H +ATOM 759 N ARG A 53 -11.821 5.723 -10.786 1.00 0.00 N +ATOM 760 CA ARG A 53 -13.039 4.964 -10.560 1.00 0.00 C +ATOM 761 C ARG A 53 -13.717 5.422 -9.266 1.00 0.00 C +ATOM 762 O ARG A 53 -14.890 5.792 -9.273 1.00 0.00 O +ATOM 763 CB ARG A 53 -12.746 3.465 -10.471 1.00 0.00 C +ATOM 764 CG ARG A 53 -13.806 2.654 -11.219 1.00 0.00 C +ATOM 765 CD ARG A 53 -13.578 1.153 -11.036 1.00 0.00 C +ATOM 766 NE ARG A 53 -13.884 0.437 -12.295 1.00 0.00 N +ATOM 767 CZ ARG A 53 -15.125 0.187 -12.734 1.00 0.00 C +ATOM 768 NH1 ARG A 53 -16.183 0.593 -12.020 1.00 0.00 N +ATOM 769 NH2 ARG A 53 -15.308 -0.469 -13.888 1.00 0.00 N +ATOM 770 H ARG A 53 -11.009 5.171 -10.975 1.00 0.00 H +ATOM 771 HA ARG A 53 -13.665 5.177 -11.427 1.00 0.00 H +ATOM 772 HB2 ARG A 53 -11.762 3.258 -10.890 1.00 0.00 H +ATOM 773 HB3 ARG A 53 -12.719 3.158 -9.426 1.00 0.00 H +ATOM 774 HG2 ARG A 53 -14.798 2.922 -10.856 1.00 0.00 H +ATOM 775 HG3 ARG A 53 -13.778 2.903 -12.280 1.00 0.00 H +ATOM 776 HD2 ARG A 53 -12.544 0.966 -10.745 1.00 0.00 H +ATOM 777 HD3 ARG A 53 -14.209 0.776 -10.231 1.00 0.00 H +ATOM 778 HE ARG A 53 -13.117 0.120 -12.853 1.00 0.00 H +ATOM 779 HH11 ARG A 53 -16.047 1.082 -11.158 1.00 0.00 H +ATOM 780 HH12 ARG A 53 -17.109 0.406 -12.347 1.00 0.00 H +ATOM 781 HH21 ARG A 53 -14.518 -0.772 -14.422 1.00 0.00 H +ATOM 782 HH22 ARG A 53 -16.234 -0.656 -14.216 1.00 0.00 H +ATOM 783 N LEU A 54 -12.949 5.382 -8.187 1.00 0.00 N +ATOM 784 CA LEU A 54 -13.461 5.787 -6.889 1.00 0.00 C +ATOM 785 C LEU A 54 -13.765 7.287 -6.912 1.00 0.00 C +ATOM 786 O LEU A 54 -14.587 7.769 -6.134 1.00 0.00 O +ATOM 787 CB LEU A 54 -12.494 5.373 -5.779 1.00 0.00 C +ATOM 788 CG LEU A 54 -12.077 3.900 -5.768 1.00 0.00 C +ATOM 789 CD1 LEU A 54 -10.693 3.727 -5.138 1.00 0.00 C +ATOM 790 CD2 LEU A 54 -13.133 3.037 -5.076 1.00 0.00 C +ATOM 791 H LEU A 54 -11.996 5.079 -8.190 1.00 0.00 H +ATOM 792 HA LEU A 54 -14.393 5.248 -6.723 1.00 0.00 H +ATOM 793 HB2 LEU A 54 -11.595 5.984 -5.860 1.00 0.00 H +ATOM 794 HB3 LEU A 54 -12.952 5.607 -4.818 1.00 0.00 H +ATOM 795 HG LEU A 54 -12.006 3.558 -6.800 1.00 0.00 H +ATOM 796 HD11 LEU A 54 -10.655 2.780 -4.601 1.00 0.00 H +ATOM 797 HD12 LEU A 54 -9.935 3.732 -5.921 1.00 0.00 H +ATOM 798 HD13 LEU A 54 -10.505 4.546 -4.444 1.00 0.00 H +ATOM 799 HD21 LEU A 54 -13.789 2.595 -5.827 1.00 0.00 H +ATOM 800 HD22 LEU A 54 -12.642 2.244 -4.511 1.00 0.00 H +ATOM 801 HD23 LEU A 54 -13.722 3.655 -4.399 1.00 0.00 H +ATOM 802 N LYS A 55 -13.085 7.982 -7.812 1.00 0.00 N +ATOM 803 CA LYS A 55 -13.272 9.417 -7.946 1.00 0.00 C +ATOM 804 C LYS A 55 -14.599 9.690 -8.656 1.00 0.00 C +ATOM 805 O LYS A 55 -15.132 10.796 -8.580 1.00 0.00 O +ATOM 806 CB LYS A 55 -12.063 10.053 -8.635 1.00 0.00 C +ATOM 807 CG LYS A 55 -11.386 11.076 -7.721 1.00 0.00 C +ATOM 808 CD LYS A 55 -9.889 11.175 -8.022 1.00 0.00 C +ATOM 809 CE LYS A 55 -9.063 11.068 -6.739 1.00 0.00 C +ATOM 810 NZ LYS A 55 -8.420 12.364 -6.427 1.00 0.00 N +ATOM 811 H LYS A 55 -12.418 7.583 -8.440 1.00 0.00 H +ATOM 812 HA LYS A 55 -13.326 9.835 -6.940 1.00 0.00 H +ATOM 813 HB2 LYS A 55 -11.348 9.278 -8.912 1.00 0.00 H +ATOM 814 HB3 LYS A 55 -12.380 10.538 -9.558 1.00 0.00 H +ATOM 815 HG2 LYS A 55 -11.853 12.052 -7.854 1.00 0.00 H +ATOM 816 HG3 LYS A 55 -11.533 10.792 -6.679 1.00 0.00 H +ATOM 817 HD2 LYS A 55 -9.600 10.382 -8.712 1.00 0.00 H +ATOM 818 HD3 LYS A 55 -9.676 12.122 -8.518 1.00 0.00 H +ATOM 819 HE2 LYS A 55 -9.704 10.764 -5.911 1.00 0.00 H +ATOM 820 HE3 LYS A 55 -8.302 10.296 -6.853 1.00 0.00 H +ATOM 821 HZ1 LYS A 55 -8.826 12.746 -5.596 1.00 0.00 H +ATOM 822 HZ2 LYS A 55 -7.440 12.224 -6.286 1.00 0.00 H +ATOM 823 HZ3 LYS A 55 -8.561 12.998 -7.188 1.00 0.00 H +ATOM 824 N ALA A 56 -15.094 8.663 -9.331 1.00 0.00 N +ATOM 825 CA ALA A 56 -16.349 8.778 -10.055 1.00 0.00 C +ATOM 826 C ALA A 56 -17.454 8.071 -9.267 1.00 0.00 C +ATOM 827 O ALA A 56 -18.638 8.276 -9.531 1.00 0.00 O +ATOM 828 CB ALA A 56 -16.180 8.207 -11.464 1.00 0.00 C +ATOM 829 H ALA A 56 -14.655 7.767 -9.388 1.00 0.00 H +ATOM 830 HA ALA A 56 -16.591 9.838 -10.132 1.00 0.00 H +ATOM 831 HB1 ALA A 56 -16.965 7.475 -11.656 1.00 0.00 H +ATOM 832 HB2 ALA A 56 -16.249 9.013 -12.194 1.00 0.00 H +ATOM 833 HB3 ALA A 56 -15.206 7.724 -11.546 1.00 0.00 H +ATOM 834 N THR A 57 -17.027 7.252 -8.317 1.00 0.00 N +ATOM 835 CA THR A 57 -17.966 6.513 -7.490 1.00 0.00 C +ATOM 836 C THR A 57 -18.681 7.457 -6.521 1.00 0.00 C +ATOM 837 O THR A 57 -19.718 7.106 -5.959 1.00 0.00 O +ATOM 838 CB THR A 57 -17.196 5.392 -6.788 1.00 0.00 C +ATOM 839 OG1 THR A 57 -18.132 4.319 -6.718 1.00 0.00 O +ATOM 840 CG2 THR A 57 -16.892 5.717 -5.324 1.00 0.00 C +ATOM 841 H THR A 57 -16.063 7.090 -8.109 1.00 0.00 H +ATOM 842 HA THR A 57 -18.729 6.081 -8.137 1.00 0.00 H +ATOM 843 HB THR A 57 -16.283 5.148 -7.331 1.00 0.00 H +ATOM 844 HG1 THR A 57 -17.700 3.514 -6.311 1.00 0.00 H +ATOM 845 HG21 THR A 57 -16.302 4.911 -4.888 1.00 0.00 H +ATOM 846 HG22 THR A 57 -16.330 6.650 -5.269 1.00 0.00 H +ATOM 847 HG23 THR A 57 -17.827 5.823 -4.774 1.00 0.00 H +ATOM 848 N GLY A 58 -18.100 8.636 -6.357 1.00 0.00 N +ATOM 849 CA GLY A 58 -18.669 9.633 -5.466 1.00 0.00 C +ATOM 850 C GLY A 58 -18.746 9.107 -4.031 1.00 0.00 C +ATOM 851 O GLY A 58 -19.835 8.873 -3.509 1.00 0.00 O +ATOM 852 H GLY A 58 -17.257 8.913 -6.818 1.00 0.00 H +ATOM 853 HA2 GLY A 58 -18.063 10.538 -5.493 1.00 0.00 H +ATOM 854 HA3 GLY A 58 -19.666 9.907 -5.811 1.00 0.00 H +ATOM 855 N LYS A 59 -17.575 8.937 -3.434 1.00 0.00 N +ATOM 856 CA LYS A 59 -17.496 8.442 -2.070 1.00 0.00 C +ATOM 857 C LYS A 59 -16.598 9.369 -1.248 1.00 0.00 C +ATOM 858 O LYS A 59 -16.519 10.566 -1.521 1.00 0.00 O +ATOM 859 CB LYS A 59 -17.048 6.980 -2.055 1.00 0.00 C +ATOM 860 CG LYS A 59 -17.891 6.158 -1.078 1.00 0.00 C +ATOM 861 CD LYS A 59 -17.827 4.667 -1.418 1.00 0.00 C +ATOM 862 CE LYS A 59 -16.562 4.027 -0.843 1.00 0.00 C +ATOM 863 NZ LYS A 59 -16.679 2.552 -0.851 1.00 0.00 N +ATOM 864 H LYS A 59 -16.694 9.129 -3.866 1.00 0.00 H +ATOM 865 HA LYS A 59 -18.502 8.476 -1.652 1.00 0.00 H +ATOM 866 HB2 LYS A 59 -17.132 6.559 -3.057 1.00 0.00 H +ATOM 867 HB3 LYS A 59 -15.997 6.921 -1.773 1.00 0.00 H +ATOM 868 HG2 LYS A 59 -17.534 6.318 -0.061 1.00 0.00 H +ATOM 869 HG3 LYS A 59 -18.926 6.498 -1.110 1.00 0.00 H +ATOM 870 HD2 LYS A 59 -18.708 4.162 -1.021 1.00 0.00 H +ATOM 871 HD3 LYS A 59 -17.846 4.537 -2.500 1.00 0.00 H +ATOM 872 HE2 LYS A 59 -15.695 4.333 -1.428 1.00 0.00 H +ATOM 873 HE3 LYS A 59 -16.400 4.380 0.175 1.00 0.00 H +ATOM 874 HZ1 LYS A 59 -16.733 2.227 -1.795 1.00 0.00 H +ATOM 875 HZ2 LYS A 59 -15.877 2.152 -0.406 1.00 0.00 H +ATOM 876 HZ3 LYS A 59 -17.505 2.280 -0.357 1.00 0.00 H +ATOM 877 N LYS A 60 -15.944 8.781 -0.257 1.00 0.00 N +ATOM 878 CA LYS A 60 -15.054 9.539 0.606 1.00 0.00 C +ATOM 879 C LYS A 60 -13.940 8.622 1.114 1.00 0.00 C +ATOM 880 O LYS A 60 -14.019 7.403 0.967 1.00 0.00 O +ATOM 881 CB LYS A 60 -15.846 10.222 1.724 1.00 0.00 C +ATOM 882 CG LYS A 60 -16.708 11.358 1.169 1.00 0.00 C +ATOM 883 CD LYS A 60 -16.922 12.447 2.222 1.00 0.00 C +ATOM 884 CE LYS A 60 -17.728 13.614 1.648 1.00 0.00 C +ATOM 885 NZ LYS A 60 -17.227 14.901 2.180 1.00 0.00 N +ATOM 886 H LYS A 60 -16.014 7.807 -0.042 1.00 0.00 H +ATOM 887 HA LYS A 60 -14.605 10.327 0.002 1.00 0.00 H +ATOM 888 HB2 LYS A 60 -16.480 9.490 2.225 1.00 0.00 H +ATOM 889 HB3 LYS A 60 -15.159 10.614 2.473 1.00 0.00 H +ATOM 890 HG2 LYS A 60 -16.228 11.787 0.289 1.00 0.00 H +ATOM 891 HG3 LYS A 60 -17.672 10.964 0.847 1.00 0.00 H +ATOM 892 HD2 LYS A 60 -17.444 12.029 3.083 1.00 0.00 H +ATOM 893 HD3 LYS A 60 -15.957 12.807 2.579 1.00 0.00 H +ATOM 894 HE2 LYS A 60 -17.658 13.612 0.560 1.00 0.00 H +ATOM 895 HE3 LYS A 60 -18.782 13.495 1.899 1.00 0.00 H +ATOM 896 HZ1 LYS A 60 -18.001 15.500 2.387 1.00 0.00 H +ATOM 897 HZ2 LYS A 60 -16.702 14.735 3.014 1.00 0.00 H +ATOM 898 HZ3 LYS A 60 -16.640 15.338 1.498 1.00 0.00 H +ATOM 899 N ALA A 61 -12.928 9.243 1.701 1.00 0.00 N +ATOM 900 CA ALA A 61 -11.799 8.498 2.232 1.00 0.00 C +ATOM 901 C ALA A 61 -11.889 8.461 3.758 1.00 0.00 C +ATOM 902 O ALA A 61 -12.652 9.218 4.357 1.00 0.00 O +ATOM 903 CB ALA A 61 -10.494 9.129 1.740 1.00 0.00 C +ATOM 904 H ALA A 61 -12.871 10.235 1.817 1.00 0.00 H +ATOM 905 HA ALA A 61 -11.863 7.480 1.847 1.00 0.00 H +ATOM 906 HB1 ALA A 61 -9.783 8.343 1.488 1.00 0.00 H +ATOM 907 HB2 ALA A 61 -10.694 9.736 0.857 1.00 0.00 H +ATOM 908 HB3 ALA A 61 -10.077 9.759 2.526 1.00 0.00 H +ATOM 909 N VAL A 62 -11.101 7.573 4.345 1.00 0.00 N +ATOM 910 CA VAL A 62 -11.083 7.427 5.791 1.00 0.00 C +ATOM 911 C VAL A 62 -9.700 7.814 6.321 1.00 0.00 C +ATOM 912 O VAL A 62 -8.683 7.471 5.719 1.00 0.00 O +ATOM 913 CB VAL A 62 -11.496 6.006 6.178 1.00 0.00 C +ATOM 914 CG1 VAL A 62 -11.244 5.748 7.666 1.00 0.00 C +ATOM 915 CG2 VAL A 62 -12.958 5.741 5.816 1.00 0.00 C +ATOM 916 H VAL A 62 -10.483 6.961 3.851 1.00 0.00 H +ATOM 917 HA VAL A 62 -11.821 8.117 6.200 1.00 0.00 H +ATOM 918 HB VAL A 62 -10.879 5.310 5.609 1.00 0.00 H +ATOM 919 HG11 VAL A 62 -10.729 6.605 8.100 1.00 0.00 H +ATOM 920 HG12 VAL A 62 -12.197 5.601 8.175 1.00 0.00 H +ATOM 921 HG13 VAL A 62 -10.628 4.857 7.781 1.00 0.00 H +ATOM 922 HG21 VAL A 62 -13.591 5.954 6.678 1.00 0.00 H +ATOM 923 HG22 VAL A 62 -13.248 6.385 4.985 1.00 0.00 H +ATOM 924 HG23 VAL A 62 -13.078 4.697 5.526 1.00 0.00 H +ATOM 925 N LYS A 63 -9.708 8.521 7.441 1.00 0.00 N +ATOM 926 CA LYS A 63 -8.467 8.958 8.058 1.00 0.00 C +ATOM 927 C LYS A 63 -7.894 7.818 8.903 1.00 0.00 C +ATOM 928 O LYS A 63 -8.347 7.582 10.022 1.00 0.00 O +ATOM 929 CB LYS A 63 -8.686 10.254 8.842 1.00 0.00 C +ATOM 930 CG LYS A 63 -8.880 11.441 7.895 1.00 0.00 C +ATOM 931 CD LYS A 63 -7.959 12.601 8.275 1.00 0.00 C +ATOM 932 CE LYS A 63 -6.566 12.416 7.669 1.00 0.00 C +ATOM 933 NZ LYS A 63 -5.757 13.643 7.845 1.00 0.00 N +ATOM 934 H LYS A 63 -10.540 8.796 7.923 1.00 0.00 H +ATOM 935 HA LYS A 63 -7.764 9.181 7.256 1.00 0.00 H +ATOM 936 HB2 LYS A 63 -9.559 10.152 9.486 1.00 0.00 H +ATOM 937 HB3 LYS A 63 -7.831 10.439 9.492 1.00 0.00 H +ATOM 938 HG2 LYS A 63 -8.677 11.130 6.870 1.00 0.00 H +ATOM 939 HG3 LYS A 63 -9.919 11.770 7.928 1.00 0.00 H +ATOM 940 HD2 LYS A 63 -8.389 13.541 7.927 1.00 0.00 H +ATOM 941 HD3 LYS A 63 -7.881 12.669 9.360 1.00 0.00 H +ATOM 942 HE2 LYS A 63 -6.066 11.572 8.142 1.00 0.00 H +ATOM 943 HE3 LYS A 63 -6.653 12.181 6.608 1.00 0.00 H +ATOM 944 HZ1 LYS A 63 -6.281 14.436 7.536 1.00 0.00 H +ATOM 945 HZ2 LYS A 63 -5.525 13.753 8.812 1.00 0.00 H +ATOM 946 HZ3 LYS A 63 -4.917 13.568 7.308 1.00 0.00 H +ATOM 947 N ALA A 64 -6.907 7.142 8.334 1.00 0.00 N +ATOM 948 CA ALA A 64 -6.268 6.032 9.021 1.00 0.00 C +ATOM 949 C ALA A 64 -4.785 5.992 8.644 1.00 0.00 C +ATOM 950 O ALA A 64 -4.359 6.671 7.712 1.00 0.00 O +ATOM 951 CB ALA A 64 -6.993 4.731 8.675 1.00 0.00 C +ATOM 952 H ALA A 64 -6.545 7.340 7.424 1.00 0.00 H +ATOM 953 HA ALA A 64 -6.357 6.210 10.093 1.00 0.00 H +ATOM 954 HB1 ALA A 64 -6.265 3.978 8.373 1.00 0.00 H +ATOM 955 HB2 ALA A 64 -7.542 4.377 9.548 1.00 0.00 H +ATOM 956 HB3 ALA A 64 -7.690 4.910 7.856 1.00 0.00 H +ATOM 957 N VAL A 65 -4.040 5.188 9.389 1.00 0.00 N +ATOM 958 CA VAL A 65 -2.615 5.050 9.145 1.00 0.00 C +ATOM 959 C VAL A 65 -2.361 3.773 8.341 1.00 0.00 C +ATOM 960 O VAL A 65 -2.795 2.691 8.734 1.00 0.00 O +ATOM 961 CB VAL A 65 -1.851 5.083 10.470 1.00 0.00 C +ATOM 962 CG1 VAL A 65 -0.365 4.792 10.254 1.00 0.00 C +ATOM 963 CG2 VAL A 65 -2.050 6.422 11.184 1.00 0.00 C +ATOM 964 H VAL A 65 -4.395 4.639 10.146 1.00 0.00 H +ATOM 965 HA VAL A 65 -2.298 5.907 8.551 1.00 0.00 H +ATOM 966 HB VAL A 65 -2.256 4.299 11.110 1.00 0.00 H +ATOM 967 HG11 VAL A 65 0.229 5.603 10.676 1.00 0.00 H +ATOM 968 HG12 VAL A 65 -0.102 3.856 10.747 1.00 0.00 H +ATOM 969 HG13 VAL A 65 -0.162 4.710 9.187 1.00 0.00 H +ATOM 970 HG21 VAL A 65 -3.028 6.828 10.928 1.00 0.00 H +ATOM 971 HG22 VAL A 65 -1.989 6.271 12.262 1.00 0.00 H +ATOM 972 HG23 VAL A 65 -1.273 7.119 10.870 1.00 0.00 H +ATOM 973 N LEU A 66 -1.659 3.941 7.230 1.00 0.00 N +ATOM 974 CA LEU A 66 -1.342 2.816 6.367 1.00 0.00 C +ATOM 975 C LEU A 66 -0.029 2.180 6.828 1.00 0.00 C +ATOM 976 O LEU A 66 1.031 2.797 6.734 1.00 0.00 O +ATOM 977 CB LEU A 66 -1.333 3.251 4.900 1.00 0.00 C +ATOM 978 CG LEU A 66 -0.654 2.292 3.920 1.00 0.00 C +ATOM 979 CD1 LEU A 66 -1.146 0.858 4.126 1.00 0.00 C +ATOM 980 CD2 LEU A 66 -0.841 2.761 2.476 1.00 0.00 C +ATOM 981 H LEU A 66 -1.309 4.825 6.918 1.00 0.00 H +ATOM 982 HA LEU A 66 -2.140 2.082 6.481 1.00 0.00 H +ATOM 983 HB2 LEU A 66 -2.365 3.397 4.579 1.00 0.00 H +ATOM 984 HB3 LEU A 66 -0.838 4.220 4.832 1.00 0.00 H +ATOM 985 HG LEU A 66 0.417 2.298 4.124 1.00 0.00 H +ATOM 986 HD11 LEU A 66 -0.380 0.160 3.788 1.00 0.00 H +ATOM 987 HD12 LEU A 66 -1.348 0.692 5.184 1.00 0.00 H +ATOM 988 HD13 LEU A 66 -2.059 0.702 3.552 1.00 0.00 H +ATOM 989 HD21 LEU A 66 -0.376 2.045 1.799 1.00 0.00 H +ATOM 990 HD22 LEU A 66 -1.905 2.834 2.253 1.00 0.00 H +ATOM 991 HD23 LEU A 66 -0.375 3.738 2.348 1.00 0.00 H +ATOM 992 N TRP A 67 -0.142 0.953 7.315 1.00 0.00 N +ATOM 993 CA TRP A 67 1.023 0.226 7.790 1.00 0.00 C +ATOM 994 C TRP A 67 1.532 -0.653 6.645 1.00 0.00 C +ATOM 995 O TRP A 67 0.740 -1.207 5.885 1.00 0.00 O +ATOM 996 CB TRP A 67 0.695 -0.570 9.054 1.00 0.00 C +ATOM 997 CG TRP A 67 0.322 0.298 10.258 1.00 0.00 C +ATOM 998 CD1 TRP A 67 -0.776 1.048 10.425 1.00 0.00 C +ATOM 999 CD2 TRP A 67 1.096 0.476 11.462 1.00 0.00 C +ATOM 1000 NE1 TRP A 67 -0.766 1.694 11.644 1.00 0.00 N +ATOM 1001 CE2 TRP A 67 0.409 1.335 12.295 1.00 0.00 C +ATOM 1002 CE3 TRP A 67 2.337 -0.070 11.836 1.00 0.00 C +ATOM 1003 CZ2 TRP A 67 0.882 1.725 13.554 1.00 0.00 C +ATOM 1004 CZ3 TRP A 67 2.796 0.329 13.097 1.00 0.00 C +ATOM 1005 CH2 TRP A 67 2.116 1.193 13.947 1.00 0.00 C +ATOM 1006 H TRP A 67 -1.007 0.457 7.388 1.00 0.00 H +ATOM 1007 HA TRP A 67 1.783 0.958 8.065 1.00 0.00 H +ATOM 1008 HB2 TRP A 67 -0.131 -1.249 8.840 1.00 0.00 H +ATOM 1009 HB3 TRP A 67 1.555 -1.187 9.317 1.00 0.00 H +ATOM 1010 HD1 TRP A 67 -1.576 1.136 9.691 1.00 0.00 H +ATOM 1011 HE1 TRP A 67 -1.537 2.363 12.027 1.00 0.00 H +ATOM 1012 HE3 TRP A 67 2.899 -0.751 11.196 1.00 0.00 H +ATOM 1013 HZ2 TRP A 67 0.320 2.405 14.194 1.00 0.00 H +ATOM 1014 HZ3 TRP A 67 3.753 -0.066 13.436 1.00 0.00 H +ATOM 1015 HH2 TRP A 67 2.541 1.455 14.916 1.00 0.00 H +ATOM 1016 N VAL A 68 2.850 -0.752 6.559 1.00 0.00 N +ATOM 1017 CA VAL A 68 3.474 -1.554 5.520 1.00 0.00 C +ATOM 1018 C VAL A 68 4.441 -2.551 6.162 1.00 0.00 C +ATOM 1019 O VAL A 68 5.321 -2.161 6.928 1.00 0.00 O +ATOM 1020 CB VAL A 68 4.148 -0.644 4.491 1.00 0.00 C +ATOM 1021 CG1 VAL A 68 4.486 -1.417 3.214 1.00 0.00 C +ATOM 1022 CG2 VAL A 68 3.276 0.574 4.182 1.00 0.00 C +ATOM 1023 H VAL A 68 3.487 -0.298 7.182 1.00 0.00 H +ATOM 1024 HA VAL A 68 2.684 -2.108 5.014 1.00 0.00 H +ATOM 1025 HB VAL A 68 5.083 -0.286 4.923 1.00 0.00 H +ATOM 1026 HG11 VAL A 68 5.423 -1.044 2.802 1.00 0.00 H +ATOM 1027 HG12 VAL A 68 4.587 -2.477 3.447 1.00 0.00 H +ATOM 1028 HG13 VAL A 68 3.687 -1.279 2.485 1.00 0.00 H +ATOM 1029 HG21 VAL A 68 3.663 1.443 4.714 1.00 0.00 H +ATOM 1030 HG22 VAL A 68 3.293 0.769 3.109 1.00 0.00 H +ATOM 1031 HG23 VAL A 68 2.253 0.379 4.500 1.00 0.00 H +ATOM 1032 N SER A 69 4.245 -3.817 5.827 1.00 0.00 N +ATOM 1033 CA SER A 69 5.089 -4.872 6.361 1.00 0.00 C +ATOM 1034 C SER A 69 5.304 -5.956 5.303 1.00 0.00 C +ATOM 1035 O SER A 69 4.523 -6.072 4.360 1.00 0.00 O +ATOM 1036 CB SER A 69 4.477 -5.479 7.625 1.00 0.00 C +ATOM 1037 OG SER A 69 4.265 -4.500 8.639 1.00 0.00 O +ATOM 1038 H SER A 69 3.526 -4.125 5.203 1.00 0.00 H +ATOM 1039 HA SER A 69 6.033 -4.388 6.611 1.00 0.00 H +ATOM 1040 HB2 SER A 69 3.529 -5.956 7.377 1.00 0.00 H +ATOM 1041 HB3 SER A 69 5.136 -6.259 8.008 1.00 0.00 H +ATOM 1042 HG SER A 69 3.475 -3.933 8.405 1.00 0.00 H +ATOM 1043 N ALA A 70 6.368 -6.723 5.495 1.00 0.00 N +ATOM 1044 CA ALA A 70 6.696 -7.793 4.569 1.00 0.00 C +ATOM 1045 C ALA A 70 5.483 -8.711 4.407 1.00 0.00 C +ATOM 1046 O ALA A 70 5.265 -9.274 3.335 1.00 0.00 O +ATOM 1047 CB ALA A 70 7.931 -8.543 5.072 1.00 0.00 C +ATOM 1048 H ALA A 70 6.998 -6.622 6.264 1.00 0.00 H +ATOM 1049 HA ALA A 70 6.929 -7.339 3.606 1.00 0.00 H +ATOM 1050 HB1 ALA A 70 8.324 -9.172 4.273 1.00 0.00 H +ATOM 1051 HB2 ALA A 70 8.693 -7.825 5.376 1.00 0.00 H +ATOM 1052 HB3 ALA A 70 7.657 -9.165 5.923 1.00 0.00 H +ATOM 1053 N ASP A 71 4.725 -8.834 5.487 1.00 0.00 N +ATOM 1054 CA ASP A 71 3.539 -9.674 5.478 1.00 0.00 C +ATOM 1055 C ASP A 71 2.477 -9.039 4.579 1.00 0.00 C +ATOM 1056 O ASP A 71 1.516 -9.699 4.185 1.00 0.00 O +ATOM 1057 CB ASP A 71 2.950 -9.810 6.883 1.00 0.00 C +ATOM 1058 CG ASP A 71 3.453 -11.015 7.681 1.00 0.00 C +ATOM 1059 OD1 ASP A 71 3.553 -12.099 7.068 1.00 0.00 O +ATOM 1060 OD2 ASP A 71 3.724 -10.824 8.886 1.00 0.00 O +ATOM 1061 H ASP A 71 4.909 -8.372 6.354 1.00 0.00 H +ATOM 1062 HA ASP A 71 3.877 -10.641 5.105 1.00 0.00 H +ATOM 1063 HB2 ASP A 71 3.174 -8.902 7.444 1.00 0.00 H +ATOM 1064 HB3 ASP A 71 1.865 -9.874 6.801 1.00 0.00 H +ATOM 1065 N GLY A 72 2.684 -7.765 4.280 1.00 0.00 N +ATOM 1066 CA GLY A 72 1.756 -7.033 3.435 1.00 0.00 C +ATOM 1067 C GLY A 72 1.530 -5.617 3.966 1.00 0.00 C +ATOM 1068 O GLY A 72 2.483 -4.862 4.157 1.00 0.00 O +ATOM 1069 H GLY A 72 3.468 -7.235 4.604 1.00 0.00 H +ATOM 1070 HA2 GLY A 72 2.144 -6.987 2.417 1.00 0.00 H +ATOM 1071 HA3 GLY A 72 0.805 -7.564 3.389 1.00 0.00 H +ATOM 1072 N LEU A 73 0.264 -5.298 4.190 1.00 0.00 N +ATOM 1073 CA LEU A 73 -0.099 -3.985 4.695 1.00 0.00 C +ATOM 1074 C LEU A 73 -1.128 -4.141 5.817 1.00 0.00 C +ATOM 1075 O LEU A 73 -1.579 -5.250 6.100 1.00 0.00 O +ATOM 1076 CB LEU A 73 -0.568 -3.081 3.553 1.00 0.00 C +ATOM 1077 CG LEU A 73 0.044 -3.365 2.179 1.00 0.00 C +ATOM 1078 CD1 LEU A 73 -0.941 -3.024 1.060 1.00 0.00 C +ATOM 1079 CD2 LEU A 73 1.378 -2.635 2.012 1.00 0.00 C +ATOM 1080 H LEU A 73 -0.505 -5.917 4.032 1.00 0.00 H +ATOM 1081 HA LEU A 73 0.801 -3.535 5.113 1.00 0.00 H +ATOM 1082 HB2 LEU A 73 -1.652 -3.166 3.470 1.00 0.00 H +ATOM 1083 HB3 LEU A 73 -0.348 -2.048 3.820 1.00 0.00 H +ATOM 1084 HG LEU A 73 0.251 -4.433 2.112 1.00 0.00 H +ATOM 1085 HD11 LEU A 73 -0.738 -3.653 0.193 1.00 0.00 H +ATOM 1086 HD12 LEU A 73 -1.960 -3.199 1.406 1.00 0.00 H +ATOM 1087 HD13 LEU A 73 -0.827 -1.976 0.782 1.00 0.00 H +ATOM 1088 HD21 LEU A 73 1.662 -2.175 2.959 1.00 0.00 H +ATOM 1089 HD22 LEU A 73 2.146 -3.346 1.708 1.00 0.00 H +ATOM 1090 HD23 LEU A 73 1.276 -1.863 1.249 1.00 0.00 H +ATOM 1091 N ARG A 74 -1.469 -3.015 6.425 1.00 0.00 N +ATOM 1092 CA ARG A 74 -2.437 -3.013 7.509 1.00 0.00 C +ATOM 1093 C ARG A 74 -3.048 -1.620 7.673 1.00 0.00 C +ATOM 1094 O ARG A 74 -2.373 -0.688 8.107 1.00 0.00 O +ATOM 1095 CB ARG A 74 -1.786 -3.435 8.828 1.00 0.00 C +ATOM 1096 CG ARG A 74 -1.860 -4.951 9.016 1.00 0.00 C +ATOM 1097 CD ARG A 74 -2.239 -5.308 10.454 1.00 0.00 C +ATOM 1098 NE ARG A 74 -1.813 -6.692 10.762 1.00 0.00 N +ATOM 1099 CZ ARG A 74 -0.540 -7.059 10.960 1.00 0.00 C +ATOM 1100 NH1 ARG A 74 0.440 -6.149 10.883 1.00 0.00 N +ATOM 1101 NH2 ARG A 74 -0.247 -8.338 11.233 1.00 0.00 N +ATOM 1102 H ARG A 74 -1.098 -2.117 6.189 1.00 0.00 H +ATOM 1103 HA ARG A 74 -3.192 -3.740 7.211 1.00 0.00 H +ATOM 1104 HB2 ARG A 74 -0.745 -3.113 8.844 1.00 0.00 H +ATOM 1105 HB3 ARG A 74 -2.286 -2.937 9.660 1.00 0.00 H +ATOM 1106 HG2 ARG A 74 -2.594 -5.371 8.328 1.00 0.00 H +ATOM 1107 HG3 ARG A 74 -0.898 -5.399 8.768 1.00 0.00 H +ATOM 1108 HD2 ARG A 74 -1.768 -4.611 11.147 1.00 0.00 H +ATOM 1109 HD3 ARG A 74 -3.317 -5.212 10.590 1.00 0.00 H +ATOM 1110 HE ARG A 74 -2.520 -7.397 10.826 1.00 0.00 H +ATOM 1111 HH11 ARG A 74 0.221 -5.195 10.679 1.00 0.00 H +ATOM 1112 HH12 ARG A 74 1.390 -6.423 11.031 1.00 0.00 H +ATOM 1113 HH21 ARG A 74 -0.978 -9.018 11.290 1.00 0.00 H +ATOM 1114 HH22 ARG A 74 0.704 -8.612 11.381 1.00 0.00 H +ATOM 1115 N VAL A 75 -4.321 -1.522 7.316 1.00 0.00 N +ATOM 1116 CA VAL A 75 -5.031 -0.258 7.418 1.00 0.00 C +ATOM 1117 C VAL A 75 -5.589 -0.104 8.834 1.00 0.00 C +ATOM 1118 O VAL A 75 -6.678 -0.592 9.132 1.00 0.00 O +ATOM 1119 CB VAL A 75 -6.111 -0.177 6.337 1.00 0.00 C +ATOM 1120 CG1 VAL A 75 -6.848 1.163 6.399 1.00 0.00 C +ATOM 1121 CG2 VAL A 75 -5.515 -0.410 4.948 1.00 0.00 C +ATOM 1122 H VAL A 75 -4.863 -2.284 6.964 1.00 0.00 H +ATOM 1123 HA VAL A 75 -4.311 0.540 7.236 1.00 0.00 H +ATOM 1124 HB VAL A 75 -6.836 -0.968 6.528 1.00 0.00 H +ATOM 1125 HG11 VAL A 75 -6.129 1.978 6.322 1.00 0.00 H +ATOM 1126 HG12 VAL A 75 -7.558 1.225 5.574 1.00 0.00 H +ATOM 1127 HG13 VAL A 75 -7.384 1.239 7.346 1.00 0.00 H +ATOM 1128 HG21 VAL A 75 -4.576 0.137 4.858 1.00 0.00 H +ATOM 1129 HG22 VAL A 75 -5.330 -1.475 4.806 1.00 0.00 H +ATOM 1130 HG23 VAL A 75 -6.214 -0.059 4.189 1.00 0.00 H +ATOM 1131 N VAL A 76 -4.818 0.576 9.669 1.00 0.00 N +ATOM 1132 CA VAL A 76 -5.222 0.800 11.047 1.00 0.00 C +ATOM 1133 C VAL A 76 -6.155 2.011 11.110 1.00 0.00 C +ATOM 1134 O VAL A 76 -6.083 2.899 10.261 1.00 0.00 O +ATOM 1135 CB VAL A 76 -3.986 0.951 11.937 1.00 0.00 C +ATOM 1136 CG1 VAL A 76 -4.306 1.778 13.183 1.00 0.00 C +ATOM 1137 CG2 VAL A 76 -3.415 -0.417 12.317 1.00 0.00 C +ATOM 1138 H VAL A 76 -3.933 0.970 9.419 1.00 0.00 H +ATOM 1139 HA VAL A 76 -5.769 -0.083 11.377 1.00 0.00 H +ATOM 1140 HB VAL A 76 -3.226 1.484 11.366 1.00 0.00 H +ATOM 1141 HG11 VAL A 76 -5.296 1.511 13.552 1.00 0.00 H +ATOM 1142 HG12 VAL A 76 -3.563 1.574 13.955 1.00 0.00 H +ATOM 1143 HG13 VAL A 76 -4.286 2.838 12.931 1.00 0.00 H +ATOM 1144 HG21 VAL A 76 -3.930 -0.792 13.201 1.00 0.00 H +ATOM 1145 HG22 VAL A 76 -3.556 -1.113 11.491 1.00 0.00 H +ATOM 1146 HG23 VAL A 76 -2.350 -0.319 12.532 1.00 0.00 H +ATOM 1147 N ASP A 77 -7.009 2.008 12.123 1.00 0.00 N +ATOM 1148 CA ASP A 77 -7.955 3.095 12.307 1.00 0.00 C +ATOM 1149 C ASP A 77 -7.424 4.051 13.377 1.00 0.00 C +ATOM 1150 O ASP A 77 -7.493 3.755 14.569 1.00 0.00 O +ATOM 1151 CB ASP A 77 -9.314 2.569 12.775 1.00 0.00 C +ATOM 1152 CG ASP A 77 -10.460 3.579 12.695 1.00 0.00 C +ATOM 1153 OD1 ASP A 77 -10.157 4.789 12.781 1.00 0.00 O +ATOM 1154 OD2 ASP A 77 -11.613 3.119 12.550 1.00 0.00 O +ATOM 1155 H ASP A 77 -7.060 1.282 12.808 1.00 0.00 H +ATOM 1156 HA ASP A 77 -8.040 3.569 11.329 1.00 0.00 H +ATOM 1157 HB2 ASP A 77 -9.575 1.698 12.175 1.00 0.00 H +ATOM 1158 HB3 ASP A 77 -9.219 2.230 13.806 1.00 0.00 H +ATOM 1159 N GLU A 78 -6.906 5.179 12.913 1.00 0.00 N +ATOM 1160 CA GLU A 78 -6.364 6.180 13.816 1.00 0.00 C +ATOM 1161 C GLU A 78 -7.254 6.318 15.052 1.00 0.00 C +ATOM 1162 O GLU A 78 -6.776 6.667 16.130 1.00 0.00 O +ATOM 1163 CB GLU A 78 -6.200 7.526 13.106 1.00 0.00 C +ATOM 1164 CG GLU A 78 -4.928 7.546 12.255 1.00 0.00 C +ATOM 1165 CD GLU A 78 -4.194 8.880 12.397 1.00 0.00 C +ATOM 1166 OE1 GLU A 78 -4.809 9.908 12.039 1.00 0.00 O +ATOM 1167 OE2 GLU A 78 -3.034 8.843 12.861 1.00 0.00 O +ATOM 1168 H GLU A 78 -6.854 5.413 11.942 1.00 0.00 H +ATOM 1169 HA GLU A 78 -5.382 5.807 14.106 1.00 0.00 H +ATOM 1170 HB2 GLU A 78 -7.067 7.717 12.474 1.00 0.00 H +ATOM 1171 HB3 GLU A 78 -6.160 8.328 13.844 1.00 0.00 H +ATOM 1172 HG2 GLU A 78 -4.271 6.731 12.559 1.00 0.00 H +ATOM 1173 HG3 GLU A 78 -5.184 7.376 11.209 1.00 0.00 H +ATOM 1174 N LYS A 79 -8.534 6.036 14.856 1.00 0.00 N +ATOM 1175 CA LYS A 79 -9.495 6.124 15.942 1.00 0.00 C +ATOM 1176 C LYS A 79 -8.893 5.500 17.202 1.00 0.00 C +ATOM 1177 O LYS A 79 -8.554 6.208 18.149 1.00 0.00 O +ATOM 1178 CB LYS A 79 -10.831 5.504 15.526 1.00 0.00 C +ATOM 1179 CG LYS A 79 -11.948 5.913 16.489 1.00 0.00 C +ATOM 1180 CD LYS A 79 -13.298 5.357 16.030 1.00 0.00 C +ATOM 1181 CE LYS A 79 -14.446 5.976 16.830 1.00 0.00 C +ATOM 1182 NZ LYS A 79 -15.576 6.316 15.937 1.00 0.00 N +ATOM 1183 H LYS A 79 -8.915 5.753 13.976 1.00 0.00 H +ATOM 1184 HA LYS A 79 -9.676 7.182 16.133 1.00 0.00 H +ATOM 1185 HB2 LYS A 79 -11.084 5.821 14.515 1.00 0.00 H +ATOM 1186 HB3 LYS A 79 -10.742 4.418 15.507 1.00 0.00 H +ATOM 1187 HG2 LYS A 79 -11.721 5.546 17.491 1.00 0.00 H +ATOM 1188 HG3 LYS A 79 -12.000 6.999 16.552 1.00 0.00 H +ATOM 1189 HD2 LYS A 79 -13.437 5.563 14.969 1.00 0.00 H +ATOM 1190 HD3 LYS A 79 -13.309 4.274 16.150 1.00 0.00 H +ATOM 1191 HE2 LYS A 79 -14.779 5.279 17.599 1.00 0.00 H +ATOM 1192 HE3 LYS A 79 -14.097 6.873 17.343 1.00 0.00 H +ATOM 1193 HZ1 LYS A 79 -15.485 5.812 15.078 1.00 0.00 H +ATOM 1194 HZ2 LYS A 79 -16.437 6.067 16.380 1.00 0.00 H +ATOM 1195 HZ3 LYS A 79 -15.569 7.298 15.750 1.00 0.00 H +ATOM 1196 N THR A 80 -8.777 4.180 17.172 1.00 0.00 N +ATOM 1197 CA THR A 80 -8.222 3.452 18.301 1.00 0.00 C +ATOM 1198 C THR A 80 -7.027 2.608 17.854 1.00 0.00 C +ATOM 1199 O THR A 80 -6.616 1.686 18.557 1.00 0.00 O +ATOM 1200 CB THR A 80 -9.346 2.628 18.932 1.00 0.00 C +ATOM 1201 OG1 THR A 80 -8.806 2.203 20.180 1.00 0.00 O +ATOM 1202 CG2 THR A 80 -9.611 1.324 18.176 1.00 0.00 C +ATOM 1203 H THR A 80 -9.055 3.611 16.398 1.00 0.00 H +ATOM 1204 HA THR A 80 -7.849 4.175 19.026 1.00 0.00 H +ATOM 1205 HB THR A 80 -10.258 3.219 19.022 1.00 0.00 H +ATOM 1206 HG1 THR A 80 -8.424 2.985 20.672 1.00 0.00 H +ATOM 1207 HG21 THR A 80 -8.662 0.856 17.915 1.00 0.00 H +ATOM 1208 HG22 THR A 80 -10.187 0.649 18.809 1.00 0.00 H +ATOM 1209 HG23 THR A 80 -10.173 1.539 17.268 1.00 0.00 H +ATOM 1210 N LYS A 81 -6.502 2.953 16.688 1.00 0.00 N +ATOM 1211 CA LYS A 81 -5.362 2.238 16.139 1.00 0.00 C +ATOM 1212 C LYS A 81 -5.791 0.820 15.757 1.00 0.00 C +ATOM 1213 O LYS A 81 -4.955 -0.011 15.404 1.00 0.00 O +ATOM 1214 CB LYS A 81 -4.182 2.283 17.112 1.00 0.00 C +ATOM 1215 CG LYS A 81 -3.358 3.557 16.916 1.00 0.00 C +ATOM 1216 CD LYS A 81 -2.694 3.573 15.537 1.00 0.00 C +ATOM 1217 CE LYS A 81 -1.451 4.465 15.538 1.00 0.00 C +ATOM 1218 NZ LYS A 81 -1.721 5.731 14.820 1.00 0.00 N +ATOM 1219 H LYS A 81 -6.842 3.704 16.122 1.00 0.00 H +ATOM 1220 HA LYS A 81 -5.053 2.761 15.234 1.00 0.00 H +ATOM 1221 HB2 LYS A 81 -4.550 2.238 18.137 1.00 0.00 H +ATOM 1222 HB3 LYS A 81 -3.549 1.409 16.962 1.00 0.00 H +ATOM 1223 HG2 LYS A 81 -4.000 4.430 17.024 1.00 0.00 H +ATOM 1224 HG3 LYS A 81 -2.595 3.624 17.691 1.00 0.00 H +ATOM 1225 HD2 LYS A 81 -2.417 2.558 15.251 1.00 0.00 H +ATOM 1226 HD3 LYS A 81 -3.404 3.932 14.792 1.00 0.00 H +ATOM 1227 HE2 LYS A 81 -1.150 4.679 16.563 1.00 0.00 H +ATOM 1228 HE3 LYS A 81 -0.620 3.942 15.065 1.00 0.00 H +ATOM 1229 HZ1 LYS A 81 -1.454 6.504 15.395 1.00 0.00 H +ATOM 1230 HZ2 LYS A 81 -1.194 5.750 13.970 1.00 0.00 H +ATOM 1231 HZ3 LYS A 81 -2.697 5.793 14.609 1.00 0.00 H +ATOM 1232 N ASP A 82 -7.092 0.586 15.841 1.00 0.00 N +ATOM 1233 CA ASP A 82 -7.642 -0.717 15.508 1.00 0.00 C +ATOM 1234 C ASP A 82 -7.191 -1.111 14.100 1.00 0.00 C +ATOM 1235 O ASP A 82 -6.348 -0.443 13.504 1.00 0.00 O +ATOM 1236 CB ASP A 82 -9.171 -0.690 15.525 1.00 0.00 C +ATOM 1237 CG ASP A 82 -9.827 -1.771 16.387 1.00 0.00 C +ATOM 1238 OD1 ASP A 82 -9.067 -2.595 16.940 1.00 0.00 O +ATOM 1239 OD2 ASP A 82 -11.074 -1.749 16.474 1.00 0.00 O +ATOM 1240 H ASP A 82 -7.765 1.268 16.129 1.00 0.00 H +ATOM 1241 HA ASP A 82 -7.259 -1.393 16.273 1.00 0.00 H +ATOM 1242 HB2 ASP A 82 -9.499 0.286 15.882 1.00 0.00 H +ATOM 1243 HB3 ASP A 82 -9.533 -0.793 14.502 1.00 0.00 H +ATOM 1244 N LEU A 83 -7.774 -2.195 13.609 1.00 0.00 N +ATOM 1245 CA LEU A 83 -7.444 -2.686 12.282 1.00 0.00 C +ATOM 1246 C LEU A 83 -8.670 -2.560 11.376 1.00 0.00 C +ATOM 1247 O LEU A 83 -9.716 -3.143 11.656 1.00 0.00 O +ATOM 1248 CB LEU A 83 -6.882 -4.107 12.362 1.00 0.00 C +ATOM 1249 CG LEU A 83 -6.078 -4.580 11.149 1.00 0.00 C +ATOM 1250 CD1 LEU A 83 -6.990 -5.224 10.103 1.00 0.00 C +ATOM 1251 CD2 LEU A 83 -5.251 -3.435 10.560 1.00 0.00 C +ATOM 1252 H LEU A 83 -8.460 -2.733 14.100 1.00 0.00 H +ATOM 1253 HA LEU A 83 -6.653 -2.049 11.885 1.00 0.00 H +ATOM 1254 HB2 LEU A 83 -6.245 -4.176 13.244 1.00 0.00 H +ATOM 1255 HB3 LEU A 83 -7.712 -4.797 12.513 1.00 0.00 H +ATOM 1256 HG LEU A 83 -5.377 -5.346 11.480 1.00 0.00 H +ATOM 1257 HD11 LEU A 83 -7.846 -4.575 9.918 1.00 0.00 H +ATOM 1258 HD12 LEU A 83 -6.436 -5.367 9.176 1.00 0.00 H +ATOM 1259 HD13 LEU A 83 -7.339 -6.189 10.471 1.00 0.00 H +ATOM 1260 HD21 LEU A 83 -4.711 -2.928 11.360 1.00 0.00 H +ATOM 1261 HD22 LEU A 83 -4.539 -3.835 9.838 1.00 0.00 H +ATOM 1262 HD23 LEU A 83 -5.913 -2.726 10.063 1.00 0.00 H +ATOM 1263 N ILE A 84 -8.500 -1.794 10.308 1.00 0.00 N +ATOM 1264 CA ILE A 84 -9.580 -1.583 9.359 1.00 0.00 C +ATOM 1265 C ILE A 84 -9.547 -2.689 8.302 1.00 0.00 C +ATOM 1266 O ILE A 84 -10.574 -3.293 7.997 1.00 0.00 O +ATOM 1267 CB ILE A 84 -9.511 -0.171 8.774 1.00 0.00 C +ATOM 1268 CG1 ILE A 84 -9.353 0.873 9.881 1.00 0.00 C +ATOM 1269 CG2 ILE A 84 -10.724 0.114 7.886 1.00 0.00 C +ATOM 1270 CD1 ILE A 84 -8.990 2.240 9.297 1.00 0.00 C +ATOM 1271 H ILE A 84 -7.646 -1.323 10.088 1.00 0.00 H +ATOM 1272 HA ILE A 84 -10.518 -1.659 9.909 1.00 0.00 H +ATOM 1273 HB ILE A 84 -8.626 -0.106 8.141 1.00 0.00 H +ATOM 1274 HG12 ILE A 84 -10.281 0.951 10.448 1.00 0.00 H +ATOM 1275 HG13 ILE A 84 -8.579 0.554 10.579 1.00 0.00 H +ATOM 1276 HG21 ILE A 84 -10.407 0.675 7.007 1.00 0.00 H +ATOM 1277 HG22 ILE A 84 -11.175 -0.828 7.573 1.00 0.00 H +ATOM 1278 HG23 ILE A 84 -11.455 0.698 8.445 1.00 0.00 H +ATOM 1279 HD11 ILE A 84 -9.363 3.026 9.953 1.00 0.00 H +ATOM 1280 HD12 ILE A 84 -7.906 2.322 9.212 1.00 0.00 H +ATOM 1281 HD13 ILE A 84 -9.441 2.345 8.310 1.00 0.00 H +ATOM 1282 N VAL A 85 -8.355 -2.920 7.771 1.00 0.00 N +ATOM 1283 CA VAL A 85 -8.175 -3.943 6.754 1.00 0.00 C +ATOM 1284 C VAL A 85 -6.802 -4.595 6.930 1.00 0.00 C +ATOM 1285 O VAL A 85 -5.889 -3.987 7.486 1.00 0.00 O +ATOM 1286 CB VAL A 85 -8.375 -3.338 5.363 1.00 0.00 C +ATOM 1287 CG1 VAL A 85 -7.962 -4.327 4.271 1.00 0.00 C +ATOM 1288 CG2 VAL A 85 -9.821 -2.879 5.168 1.00 0.00 C +ATOM 1289 H VAL A 85 -7.524 -2.425 8.024 1.00 0.00 H +ATOM 1290 HA VAL A 85 -8.945 -4.699 6.907 1.00 0.00 H +ATOM 1291 HB VAL A 85 -7.732 -2.462 5.282 1.00 0.00 H +ATOM 1292 HG11 VAL A 85 -6.918 -4.608 4.412 1.00 0.00 H +ATOM 1293 HG12 VAL A 85 -8.589 -5.216 4.329 1.00 0.00 H +ATOM 1294 HG13 VAL A 85 -8.083 -3.860 3.293 1.00 0.00 H +ATOM 1295 HG21 VAL A 85 -9.909 -1.828 5.443 1.00 0.00 H +ATOM 1296 HG22 VAL A 85 -10.105 -3.006 4.123 1.00 0.00 H +ATOM 1297 HG23 VAL A 85 -10.480 -3.475 5.798 1.00 0.00 H +ATOM 1298 N ASP A 86 -6.700 -5.824 6.447 1.00 0.00 N +ATOM 1299 CA ASP A 86 -5.454 -6.565 6.544 1.00 0.00 C +ATOM 1300 C ASP A 86 -5.116 -7.168 5.179 1.00 0.00 C +ATOM 1301 O ASP A 86 -5.653 -8.210 4.807 1.00 0.00 O +ATOM 1302 CB ASP A 86 -5.572 -7.711 7.551 1.00 0.00 C +ATOM 1303 CG ASP A 86 -4.573 -8.853 7.351 1.00 0.00 C +ATOM 1304 OD1 ASP A 86 -3.400 -8.655 7.735 1.00 0.00 O +ATOM 1305 OD2 ASP A 86 -5.006 -9.898 6.819 1.00 0.00 O +ATOM 1306 H ASP A 86 -7.447 -6.312 5.996 1.00 0.00 H +ATOM 1307 HA ASP A 86 -4.712 -5.837 6.873 1.00 0.00 H +ATOM 1308 HB2 ASP A 86 -5.442 -7.307 8.555 1.00 0.00 H +ATOM 1309 HB3 ASP A 86 -6.582 -8.118 7.499 1.00 0.00 H +ATOM 1310 N GLN A 87 -4.228 -6.487 4.470 1.00 0.00 N +ATOM 1311 CA GLN A 87 -3.812 -6.943 3.154 1.00 0.00 C +ATOM 1312 C GLN A 87 -2.449 -7.633 3.238 1.00 0.00 C +ATOM 1313 O GLN A 87 -1.579 -7.206 3.995 1.00 0.00 O +ATOM 1314 CB GLN A 87 -3.780 -5.782 2.158 1.00 0.00 C +ATOM 1315 CG GLN A 87 -3.272 -6.248 0.791 1.00 0.00 C +ATOM 1316 CD GLN A 87 -4.379 -6.956 0.007 1.00 0.00 C +ATOM 1317 OE1 GLN A 87 -5.449 -6.419 -0.230 1.00 0.00 O +ATOM 1318 NE2 GLN A 87 -4.063 -8.189 -0.380 1.00 0.00 N +ATOM 1319 H GLN A 87 -3.796 -5.640 4.780 1.00 0.00 H +ATOM 1320 HA GLN A 87 -4.572 -7.660 2.843 1.00 0.00 H +ATOM 1321 HB2 GLN A 87 -4.779 -5.359 2.054 1.00 0.00 H +ATOM 1322 HB3 GLN A 87 -3.136 -4.989 2.538 1.00 0.00 H +ATOM 1323 HG2 GLN A 87 -2.910 -5.391 0.223 1.00 0.00 H +ATOM 1324 HG3 GLN A 87 -2.427 -6.922 0.924 1.00 0.00 H +ATOM 1325 HE21 GLN A 87 -3.167 -8.570 -0.153 1.00 0.00 H +ATOM 1326 HE22 GLN A 87 -4.722 -8.734 -0.899 1.00 0.00 H +ATOM 1327 N THR A 88 -2.306 -8.687 2.449 1.00 0.00 N +ATOM 1328 CA THR A 88 -1.064 -9.440 2.424 1.00 0.00 C +ATOM 1329 C THR A 88 -0.310 -9.182 1.118 1.00 0.00 C +ATOM 1330 O THR A 88 -0.913 -9.140 0.047 1.00 0.00 O +ATOM 1331 CB THR A 88 -1.401 -10.916 2.649 1.00 0.00 C +ATOM 1332 OG1 THR A 88 -0.238 -11.609 2.203 1.00 0.00 O +ATOM 1333 CG2 THR A 88 -2.510 -11.412 1.718 1.00 0.00 C +ATOM 1334 H THR A 88 -3.019 -9.028 1.836 1.00 0.00 H +ATOM 1335 HA THR A 88 -0.430 -9.084 3.235 1.00 0.00 H +ATOM 1336 HB THR A 88 -1.655 -11.102 3.692 1.00 0.00 H +ATOM 1337 HG1 THR A 88 -0.280 -11.747 1.214 1.00 0.00 H +ATOM 1338 HG21 THR A 88 -3.476 -11.287 2.207 1.00 0.00 H +ATOM 1339 HG22 THR A 88 -2.493 -10.835 0.794 1.00 0.00 H +ATOM 1340 HG23 THR A 88 -2.350 -12.466 1.492 1.00 0.00 H +ATOM 1341 N ILE A 89 0.998 -9.015 1.250 1.00 0.00 N +ATOM 1342 CA ILE A 89 1.841 -8.761 0.094 1.00 0.00 C +ATOM 1343 C ILE A 89 1.591 -9.841 -0.960 1.00 0.00 C +ATOM 1344 O ILE A 89 1.586 -9.556 -2.157 1.00 0.00 O +ATOM 1345 CB ILE A 89 3.307 -8.641 0.516 1.00 0.00 C +ATOM 1346 CG1 ILE A 89 4.030 -7.577 -0.312 1.00 0.00 C +ATOM 1347 CG2 ILE A 89 4.010 -9.998 0.446 1.00 0.00 C +ATOM 1348 CD1 ILE A 89 3.493 -6.179 0.002 1.00 0.00 C +ATOM 1349 H ILE A 89 1.480 -9.051 2.125 1.00 0.00 H +ATOM 1350 HA ILE A 89 1.545 -7.798 -0.321 1.00 0.00 H +ATOM 1351 HB ILE A 89 3.337 -8.316 1.556 1.00 0.00 H +ATOM 1352 HG12 ILE A 89 5.099 -7.615 -0.105 1.00 0.00 H +ATOM 1353 HG13 ILE A 89 3.903 -7.789 -1.374 1.00 0.00 H +ATOM 1354 HG21 ILE A 89 4.857 -10.004 1.133 1.00 0.00 H +ATOM 1355 HG22 ILE A 89 3.310 -10.785 0.727 1.00 0.00 H +ATOM 1356 HG23 ILE A 89 4.364 -10.172 -0.570 1.00 0.00 H +ATOM 1357 HD11 ILE A 89 3.296 -6.098 1.071 1.00 0.00 H +ATOM 1358 HD12 ILE A 89 4.232 -5.433 -0.289 1.00 0.00 H +ATOM 1359 HD13 ILE A 89 2.570 -6.012 -0.552 1.00 0.00 H +ATOM 1360 N GLU A 90 1.389 -11.059 -0.478 1.00 0.00 N +ATOM 1361 CA GLU A 90 1.139 -12.183 -1.365 1.00 0.00 C +ATOM 1362 C GLU A 90 0.121 -11.795 -2.439 1.00 0.00 C +ATOM 1363 O GLU A 90 0.470 -11.657 -3.610 1.00 0.00 O +ATOM 1364 CB GLU A 90 0.668 -13.407 -0.578 1.00 0.00 C +ATOM 1365 CG GLU A 90 1.670 -13.774 0.518 1.00 0.00 C +ATOM 1366 CD GLU A 90 3.086 -13.887 -0.049 1.00 0.00 C +ATOM 1367 OE1 GLU A 90 3.392 -14.967 -0.600 1.00 0.00 O +ATOM 1368 OE2 GLU A 90 3.831 -12.892 0.080 1.00 0.00 O +ATOM 1369 H GLU A 90 1.395 -11.282 0.496 1.00 0.00 H +ATOM 1370 HA GLU A 90 2.100 -12.405 -1.829 1.00 0.00 H +ATOM 1371 HB2 GLU A 90 -0.306 -13.204 -0.132 1.00 0.00 H +ATOM 1372 HB3 GLU A 90 0.539 -14.251 -1.255 1.00 0.00 H +ATOM 1373 HG2 GLU A 90 1.649 -13.018 1.303 1.00 0.00 H +ATOM 1374 HG3 GLU A 90 1.382 -14.719 0.978 1.00 0.00 H +ATOM 1375 N LYS A 91 -1.119 -11.631 -2.001 1.00 0.00 N +ATOM 1376 CA LYS A 91 -2.191 -11.263 -2.910 1.00 0.00 C +ATOM 1377 C LYS A 91 -1.695 -10.171 -3.861 1.00 0.00 C +ATOM 1378 O LYS A 91 -1.721 -10.344 -5.078 1.00 0.00 O +ATOM 1379 CB LYS A 91 -3.447 -10.873 -2.128 1.00 0.00 C +ATOM 1380 CG LYS A 91 -3.962 -12.049 -1.297 1.00 0.00 C +ATOM 1381 CD LYS A 91 -3.926 -13.349 -2.104 1.00 0.00 C +ATOM 1382 CE LYS A 91 -4.936 -14.360 -1.559 1.00 0.00 C +ATOM 1383 NZ LYS A 91 -4.249 -15.597 -1.125 1.00 0.00 N +ATOM 1384 H LYS A 91 -1.395 -11.746 -1.047 1.00 0.00 H +ATOM 1385 HA LYS A 91 -2.439 -12.146 -3.499 1.00 0.00 H +ATOM 1386 HB2 LYS A 91 -3.226 -10.030 -1.474 1.00 0.00 H +ATOM 1387 HB3 LYS A 91 -4.223 -10.544 -2.820 1.00 0.00 H +ATOM 1388 HG2 LYS A 91 -3.354 -12.158 -0.399 1.00 0.00 H +ATOM 1389 HG3 LYS A 91 -4.982 -11.849 -0.969 1.00 0.00 H +ATOM 1390 HD2 LYS A 91 -4.146 -13.137 -3.150 1.00 0.00 H +ATOM 1391 HD3 LYS A 91 -2.924 -13.775 -2.068 1.00 0.00 H +ATOM 1392 HE2 LYS A 91 -5.479 -13.926 -0.720 1.00 0.00 H +ATOM 1393 HE3 LYS A 91 -5.673 -14.597 -2.327 1.00 0.00 H +ATOM 1394 HZ1 LYS A 91 -4.209 -15.623 -0.126 1.00 0.00 H +ATOM 1395 HZ2 LYS A 91 -4.753 -16.394 -1.460 1.00 0.00 H +ATOM 1396 HZ3 LYS A 91 -3.320 -15.610 -1.497 1.00 0.00 H +ATOM 1397 N VAL A 92 -1.254 -9.071 -3.268 1.00 0.00 N +ATOM 1398 CA VAL A 92 -0.753 -7.951 -4.047 1.00 0.00 C +ATOM 1399 C VAL A 92 0.066 -8.481 -5.226 1.00 0.00 C +ATOM 1400 O VAL A 92 1.166 -9.000 -5.039 1.00 0.00 O +ATOM 1401 CB VAL A 92 0.041 -7.001 -3.147 1.00 0.00 C +ATOM 1402 CG1 VAL A 92 0.662 -5.865 -3.962 1.00 0.00 C +ATOM 1403 CG2 VAL A 92 -0.837 -6.452 -2.020 1.00 0.00 C +ATOM 1404 H VAL A 92 -1.236 -8.938 -2.277 1.00 0.00 H +ATOM 1405 HA VAL A 92 -1.615 -7.408 -4.434 1.00 0.00 H +ATOM 1406 HB VAL A 92 0.852 -7.570 -2.692 1.00 0.00 H +ATOM 1407 HG11 VAL A 92 0.124 -4.938 -3.761 1.00 0.00 H +ATOM 1408 HG12 VAL A 92 1.708 -5.746 -3.680 1.00 0.00 H +ATOM 1409 HG13 VAL A 92 0.596 -6.101 -5.024 1.00 0.00 H +ATOM 1410 HG21 VAL A 92 -1.775 -6.085 -2.437 1.00 0.00 H +ATOM 1411 HG22 VAL A 92 -1.045 -7.246 -1.302 1.00 0.00 H +ATOM 1412 HG23 VAL A 92 -0.317 -5.636 -1.520 1.00 0.00 H +ATOM 1413 N SER A 93 -0.502 -8.333 -6.414 1.00 0.00 N +ATOM 1414 CA SER A 93 0.162 -8.790 -7.623 1.00 0.00 C +ATOM 1415 C SER A 93 1.100 -7.701 -8.148 1.00 0.00 C +ATOM 1416 O SER A 93 2.256 -7.974 -8.466 1.00 0.00 O +ATOM 1417 CB SER A 93 -0.857 -9.177 -8.697 1.00 0.00 C +ATOM 1418 OG SER A 93 -0.363 -10.201 -9.556 1.00 0.00 O +ATOM 1419 H SER A 93 -1.397 -7.910 -6.557 1.00 0.00 H +ATOM 1420 HA SER A 93 0.728 -9.672 -7.325 1.00 0.00 H +ATOM 1421 HB2 SER A 93 -1.776 -9.517 -8.219 1.00 0.00 H +ATOM 1422 HB3 SER A 93 -1.111 -8.298 -9.289 1.00 0.00 H +ATOM 1423 HG SER A 93 0.014 -10.952 -9.013 1.00 0.00 H +ATOM 1424 N PHE A 94 0.566 -6.491 -8.224 1.00 0.00 N +ATOM 1425 CA PHE A 94 1.341 -5.360 -8.706 1.00 0.00 C +ATOM 1426 C PHE A 94 1.004 -4.091 -7.922 1.00 0.00 C +ATOM 1427 O PHE A 94 -0.033 -4.019 -7.265 1.00 0.00 O +ATOM 1428 CB PHE A 94 0.965 -5.153 -10.174 1.00 0.00 C +ATOM 1429 CG PHE A 94 1.806 -4.094 -10.889 1.00 0.00 C +ATOM 1430 CD1 PHE A 94 3.150 -4.044 -10.689 1.00 0.00 C +ATOM 1431 CD2 PHE A 94 1.209 -3.201 -11.724 1.00 0.00 C +ATOM 1432 CE1 PHE A 94 3.931 -3.061 -11.352 1.00 0.00 C +ATOM 1433 CE2 PHE A 94 1.990 -2.218 -12.387 1.00 0.00 C +ATOM 1434 CZ PHE A 94 3.334 -2.168 -12.187 1.00 0.00 C +ATOM 1435 H PHE A 94 -0.376 -6.278 -7.964 1.00 0.00 H +ATOM 1436 HA PHE A 94 2.394 -5.605 -8.563 1.00 0.00 H +ATOM 1437 HB2 PHE A 94 1.068 -6.101 -10.703 1.00 0.00 H +ATOM 1438 HB3 PHE A 94 -0.086 -4.869 -10.233 1.00 0.00 H +ATOM 1439 HD1 PHE A 94 3.629 -4.760 -10.020 1.00 0.00 H +ATOM 1440 HD2 PHE A 94 0.132 -3.241 -11.884 1.00 0.00 H +ATOM 1441 HE1 PHE A 94 5.008 -3.021 -11.192 1.00 0.00 H +ATOM 1442 HE2 PHE A 94 1.512 -1.502 -13.056 1.00 0.00 H +ATOM 1443 HZ PHE A 94 3.933 -1.413 -12.696 1.00 0.00 H +ATOM 1444 N CYS A 95 1.901 -3.120 -8.016 1.00 0.00 N +ATOM 1445 CA CYS A 95 1.712 -1.856 -7.324 1.00 0.00 C +ATOM 1446 C CYS A 95 2.511 -0.780 -8.061 1.00 0.00 C +ATOM 1447 O CYS A 95 3.741 -0.808 -8.063 1.00 0.00 O +ATOM 1448 CB CYS A 95 2.110 -1.954 -5.850 1.00 0.00 C +ATOM 1449 SG CYS A 95 3.708 -2.830 -5.690 1.00 0.00 S +ATOM 1450 H CYS A 95 2.742 -3.186 -8.553 1.00 0.00 H +ATOM 1451 HA CYS A 95 0.645 -1.637 -7.358 1.00 0.00 H +ATOM 1452 HB2 CYS A 95 2.188 -0.956 -5.419 1.00 0.00 H +ATOM 1453 HB3 CYS A 95 1.338 -2.483 -5.291 1.00 0.00 H +ATOM 1454 HG CYS A 95 4.034 -2.311 -4.510 1.00 0.00 H +ATOM 1455 N ALA A 96 1.780 0.143 -8.669 1.00 0.00 N +ATOM 1456 CA ALA A 96 2.406 1.226 -9.407 1.00 0.00 C +ATOM 1457 C ALA A 96 1.957 2.565 -8.820 1.00 0.00 C +ATOM 1458 O ALA A 96 0.870 2.664 -8.251 1.00 0.00 O +ATOM 1459 CB ALA A 96 2.063 1.097 -10.893 1.00 0.00 C +ATOM 1460 H ALA A 96 0.781 0.158 -8.662 1.00 0.00 H +ATOM 1461 HA ALA A 96 3.485 1.130 -9.287 1.00 0.00 H +ATOM 1462 HB1 ALA A 96 1.026 1.392 -11.053 1.00 0.00 H +ATOM 1463 HB2 ALA A 96 2.718 1.744 -11.475 1.00 0.00 H +ATOM 1464 HB3 ALA A 96 2.199 0.063 -11.208 1.00 0.00 H +ATOM 1465 N PRO A 97 2.838 3.589 -8.981 1.00 0.00 N +ATOM 1466 CA PRO A 97 2.542 4.918 -8.472 1.00 0.00 C +ATOM 1467 C PRO A 97 1.508 5.624 -9.352 1.00 0.00 C +ATOM 1468 O PRO A 97 0.846 4.987 -10.170 1.00 0.00 O +ATOM 1469 CB PRO A 97 3.883 5.634 -8.441 1.00 0.00 C +ATOM 1470 CG PRO A 97 4.798 4.845 -9.363 1.00 0.00 C +ATOM 1471 CD PRO A 97 4.133 3.508 -9.649 1.00 0.00 C +ATOM 1472 HA PRO A 97 2.132 4.858 -7.562 1.00 0.00 H +ATOM 1473 HB2 PRO A 97 3.782 6.665 -8.778 1.00 0.00 H +ATOM 1474 HB3 PRO A 97 4.283 5.667 -7.428 1.00 0.00 H +ATOM 1475 HG2 PRO A 97 4.970 5.392 -10.290 1.00 0.00 H +ATOM 1476 HG3 PRO A 97 5.772 4.695 -8.896 1.00 0.00 H +ATOM 1477 HD2 PRO A 97 4.017 3.345 -10.720 1.00 0.00 H +ATOM 1478 HD3 PRO A 97 4.727 2.680 -9.262 1.00 0.00 H +ATOM 1479 N ASP A 98 1.402 6.929 -9.153 1.00 0.00 N +ATOM 1480 CA ASP A 98 0.459 7.728 -9.917 1.00 0.00 C +ATOM 1481 C ASP A 98 1.199 8.901 -10.564 1.00 0.00 C +ATOM 1482 O ASP A 98 2.419 9.009 -10.450 1.00 0.00 O +ATOM 1483 CB ASP A 98 -0.637 8.300 -9.016 1.00 0.00 C +ATOM 1484 CG ASP A 98 -0.143 9.239 -7.914 1.00 0.00 C +ATOM 1485 OD1 ASP A 98 0.484 8.721 -6.965 1.00 0.00 O +ATOM 1486 OD2 ASP A 98 -0.405 10.455 -8.045 1.00 0.00 O +ATOM 1487 H ASP A 98 1.944 7.439 -8.485 1.00 0.00 H +ATOM 1488 HA ASP A 98 0.036 7.045 -10.654 1.00 0.00 H +ATOM 1489 HB2 ASP A 98 -1.354 8.837 -9.637 1.00 0.00 H +ATOM 1490 HB3 ASP A 98 -1.174 7.472 -8.553 1.00 0.00 H +ATOM 1491 N ARG A 99 0.429 9.751 -11.227 1.00 0.00 N +ATOM 1492 CA ARG A 99 0.996 10.912 -11.892 1.00 0.00 C +ATOM 1493 C ARG A 99 -0.118 11.811 -12.432 1.00 0.00 C +ATOM 1494 O ARG A 99 -0.198 12.051 -13.636 1.00 0.00 O +ATOM 1495 CB ARG A 99 1.910 10.495 -13.046 1.00 0.00 C +ATOM 1496 CG ARG A 99 1.211 9.490 -13.963 1.00 0.00 C +ATOM 1497 CD ARG A 99 2.220 8.530 -14.596 1.00 0.00 C +ATOM 1498 NE ARG A 99 2.008 7.160 -14.077 1.00 0.00 N +ATOM 1499 CZ ARG A 99 2.893 6.162 -14.208 1.00 0.00 C +ATOM 1500 NH1 ARG A 99 4.055 6.375 -14.842 1.00 0.00 N +ATOM 1501 NH2 ARG A 99 2.616 4.951 -13.706 1.00 0.00 N +ATOM 1502 H ARG A 99 -0.562 9.657 -11.315 1.00 0.00 H +ATOM 1503 HA ARG A 99 1.572 11.422 -11.119 1.00 0.00 H +ATOM 1504 HB2 ARG A 99 2.202 11.375 -13.619 1.00 0.00 H +ATOM 1505 HB3 ARG A 99 2.825 10.055 -12.649 1.00 0.00 H +ATOM 1506 HG2 ARG A 99 0.473 8.925 -13.394 1.00 0.00 H +ATOM 1507 HG3 ARG A 99 0.670 10.022 -14.746 1.00 0.00 H +ATOM 1508 HD2 ARG A 99 2.112 8.538 -15.680 1.00 0.00 H +ATOM 1509 HD3 ARG A 99 3.235 8.859 -14.374 1.00 0.00 H +ATOM 1510 HE ARG A 99 1.151 6.967 -13.599 1.00 0.00 H +ATOM 1511 HH11 ARG A 99 4.261 7.279 -15.217 1.00 0.00 H +ATOM 1512 HH12 ARG A 99 4.715 5.631 -14.940 1.00 0.00 H +ATOM 1513 HH21 ARG A 99 1.750 4.792 -13.234 1.00 0.00 H +ATOM 1514 HH22 ARG A 99 3.277 4.206 -13.804 1.00 0.00 H +ATOM 1515 N ASN A 100 -0.950 12.284 -11.516 1.00 0.00 N +ATOM 1516 CA ASN A 100 -2.056 13.151 -11.885 1.00 0.00 C +ATOM 1517 C ASN A 100 -2.560 13.885 -10.641 1.00 0.00 C +ATOM 1518 O ASN A 100 -2.813 15.088 -10.685 1.00 0.00 O +ATOM 1519 CB ASN A 100 -3.220 12.344 -12.463 1.00 0.00 C +ATOM 1520 CG ASN A 100 -2.788 11.579 -13.716 1.00 0.00 C +ATOM 1521 OD1 ASN A 100 -2.368 12.150 -14.709 1.00 0.00 O +ATOM 1522 ND2 ASN A 100 -2.915 10.259 -13.614 1.00 0.00 N +ATOM 1523 H ASN A 100 -0.878 12.084 -10.539 1.00 0.00 H +ATOM 1524 HA ASN A 100 -1.649 13.831 -12.634 1.00 0.00 H +ATOM 1525 HB2 ASN A 100 -3.588 11.643 -11.714 1.00 0.00 H +ATOM 1526 HB3 ASN A 100 -4.045 13.013 -12.707 1.00 0.00 H +ATOM 1527 HD21 ASN A 100 -3.266 9.854 -12.770 1.00 0.00 H +ATOM 1528 HD22 ASN A 100 -2.658 9.672 -14.382 1.00 0.00 H +ATOM 1529 N PHE A 101 -2.693 13.129 -9.561 1.00 0.00 N +ATOM 1530 CA PHE A 101 -3.163 13.692 -8.307 1.00 0.00 C +ATOM 1531 C PHE A 101 -1.996 14.220 -7.471 1.00 0.00 C +ATOM 1532 O PHE A 101 -0.868 14.300 -7.954 1.00 0.00 O +ATOM 1533 CB PHE A 101 -3.855 12.563 -7.540 1.00 0.00 C +ATOM 1534 CG PHE A 101 -4.739 11.669 -8.413 1.00 0.00 C +ATOM 1535 CD1 PHE A 101 -4.195 10.613 -9.075 1.00 0.00 C +ATOM 1536 CD2 PHE A 101 -6.069 11.931 -8.525 1.00 0.00 C +ATOM 1537 CE1 PHE A 101 -5.015 9.784 -9.885 1.00 0.00 C +ATOM 1538 CE2 PHE A 101 -6.889 11.101 -9.335 1.00 0.00 C +ATOM 1539 CZ PHE A 101 -6.345 10.045 -9.997 1.00 0.00 C +ATOM 1540 H PHE A 101 -2.486 12.151 -9.534 1.00 0.00 H +ATOM 1541 HA PHE A 101 -3.833 14.516 -8.553 1.00 0.00 H +ATOM 1542 HB2 PHE A 101 -3.095 11.946 -7.059 1.00 0.00 H +ATOM 1543 HB3 PHE A 101 -4.464 12.995 -6.747 1.00 0.00 H +ATOM 1544 HD1 PHE A 101 -3.129 10.404 -8.985 1.00 0.00 H +ATOM 1545 HD2 PHE A 101 -6.505 12.777 -7.994 1.00 0.00 H +ATOM 1546 HE1 PHE A 101 -4.579 8.938 -10.416 1.00 0.00 H +ATOM 1547 HE2 PHE A 101 -7.955 11.311 -9.425 1.00 0.00 H +ATOM 1548 HZ PHE A 101 -6.975 9.409 -10.619 1.00 0.00 H +ATOM 1549 N ASP A 102 -2.307 14.566 -6.230 1.00 0.00 N +ATOM 1550 CA ASP A 102 -1.297 15.083 -5.322 1.00 0.00 C +ATOM 1551 C ASP A 102 -0.671 13.922 -4.547 1.00 0.00 C +ATOM 1552 O ASP A 102 0.499 13.981 -4.171 1.00 0.00 O +ATOM 1553 CB ASP A 102 -1.912 16.050 -4.308 1.00 0.00 C +ATOM 1554 CG ASP A 102 -2.132 17.474 -4.824 1.00 0.00 C +ATOM 1555 OD1 ASP A 102 -2.510 17.596 -6.009 1.00 0.00 O +ATOM 1556 OD2 ASP A 102 -1.916 18.408 -4.021 1.00 0.00 O +ATOM 1557 H ASP A 102 -3.227 14.497 -5.844 1.00 0.00 H +ATOM 1558 HA ASP A 102 -0.577 15.597 -5.958 1.00 0.00 H +ATOM 1559 HB2 ASP A 102 -2.870 15.648 -3.979 1.00 0.00 H +ATOM 1560 HB3 ASP A 102 -1.266 16.093 -3.431 1.00 0.00 H +ATOM 1561 N ARG A 103 -1.477 12.893 -4.332 1.00 0.00 N +ATOM 1562 CA ARG A 103 -1.016 11.720 -3.609 1.00 0.00 C +ATOM 1563 C ARG A 103 -2.073 10.615 -3.662 1.00 0.00 C +ATOM 1564 O ARG A 103 -2.839 10.438 -2.716 1.00 0.00 O +ATOM 1565 CB ARG A 103 -0.714 12.057 -2.147 1.00 0.00 C +ATOM 1566 CG ARG A 103 -1.977 12.520 -1.419 1.00 0.00 C +ATOM 1567 CD ARG A 103 -1.653 13.616 -0.401 1.00 0.00 C +ATOM 1568 NE ARG A 103 -2.834 14.484 -0.199 1.00 0.00 N +ATOM 1569 CZ ARG A 103 -2.795 15.675 0.413 1.00 0.00 C +ATOM 1570 NH1 ARG A 103 -1.634 16.148 0.885 1.00 0.00 N +ATOM 1571 NH2 ARG A 103 -3.917 16.394 0.552 1.00 0.00 N +ATOM 1572 H ARG A 103 -2.427 12.853 -4.641 1.00 0.00 H +ATOM 1573 HA ARG A 103 -0.104 11.416 -4.123 1.00 0.00 H +ATOM 1574 HB2 ARG A 103 -0.301 11.181 -1.646 1.00 0.00 H +ATOM 1575 HB3 ARG A 103 0.044 12.839 -2.100 1.00 0.00 H +ATOM 1576 HG2 ARG A 103 -2.702 12.893 -2.142 1.00 0.00 H +ATOM 1577 HG3 ARG A 103 -2.440 11.673 -0.912 1.00 0.00 H +ATOM 1578 HD2 ARG A 103 -1.354 13.167 0.546 1.00 0.00 H +ATOM 1579 HD3 ARG A 103 -0.810 14.211 -0.752 1.00 0.00 H +ATOM 1580 HE ARG A 103 -3.717 14.160 -0.539 1.00 0.00 H +ATOM 1581 HH11 ARG A 103 -0.796 15.611 0.781 1.00 0.00 H +ATOM 1582 HH12 ARG A 103 -1.604 17.037 1.342 1.00 0.00 H +ATOM 1583 HH21 ARG A 103 -4.784 16.042 0.200 1.00 0.00 H +ATOM 1584 HH22 ARG A 103 -3.888 17.284 1.009 1.00 0.00 H +ATOM 1585 N ALA A 104 -2.080 9.900 -4.777 1.00 0.00 N +ATOM 1586 CA ALA A 104 -3.030 8.816 -4.966 1.00 0.00 C +ATOM 1587 C ALA A 104 -2.272 7.536 -5.323 1.00 0.00 C +ATOM 1588 O ALA A 104 -1.775 7.395 -6.439 1.00 0.00 O +ATOM 1589 CB ALA A 104 -4.047 9.210 -6.039 1.00 0.00 C +ATOM 1590 H ALA A 104 -1.453 10.050 -5.542 1.00 0.00 H +ATOM 1591 HA ALA A 104 -3.555 8.667 -4.023 1.00 0.00 H +ATOM 1592 HB1 ALA A 104 -4.046 10.294 -6.160 1.00 0.00 H +ATOM 1593 HB2 ALA A 104 -3.778 8.739 -6.985 1.00 0.00 H +ATOM 1594 HB3 ALA A 104 -5.040 8.879 -5.737 1.00 0.00 H +ATOM 1595 N PHE A 105 -2.208 6.635 -4.354 1.00 0.00 N +ATOM 1596 CA PHE A 105 -1.520 5.371 -4.551 1.00 0.00 C +ATOM 1597 C PHE A 105 -2.508 4.202 -4.552 1.00 0.00 C +ATOM 1598 O PHE A 105 -3.471 4.199 -3.787 1.00 0.00 O +ATOM 1599 CB PHE A 105 -0.549 5.202 -3.381 1.00 0.00 C +ATOM 1600 CG PHE A 105 -0.101 3.758 -3.147 1.00 0.00 C +ATOM 1601 CD1 PHE A 105 0.749 3.159 -4.024 1.00 0.00 C +ATOM 1602 CD2 PHE A 105 -0.552 3.072 -2.063 1.00 0.00 C +ATOM 1603 CE1 PHE A 105 1.166 1.819 -3.808 1.00 0.00 C +ATOM 1604 CE2 PHE A 105 -0.136 1.732 -1.846 1.00 0.00 C +ATOM 1605 CZ PHE A 105 0.714 1.134 -2.723 1.00 0.00 C +ATOM 1606 H PHE A 105 -2.615 6.757 -3.449 1.00 0.00 H +ATOM 1607 HA PHE A 105 -1.021 5.422 -5.519 1.00 0.00 H +ATOM 1608 HB2 PHE A 105 0.330 5.820 -3.559 1.00 0.00 H +ATOM 1609 HB3 PHE A 105 -1.023 5.576 -2.473 1.00 0.00 H +ATOM 1610 HD1 PHE A 105 1.111 3.709 -4.893 1.00 0.00 H +ATOM 1611 HD2 PHE A 105 -1.234 3.552 -1.360 1.00 0.00 H +ATOM 1612 HE1 PHE A 105 1.847 1.340 -4.510 1.00 0.00 H +ATOM 1613 HE2 PHE A 105 -0.498 1.183 -0.977 1.00 0.00 H +ATOM 1614 HZ PHE A 105 1.034 0.105 -2.557 1.00 0.00 H +ATOM 1615 N SER A 106 -2.235 3.238 -5.419 1.00 0.00 N +ATOM 1616 CA SER A 106 -3.087 2.067 -5.529 1.00 0.00 C +ATOM 1617 C SER A 106 -2.253 0.847 -5.925 1.00 0.00 C +ATOM 1618 O SER A 106 -1.130 0.989 -6.407 1.00 0.00 O +ATOM 1619 CB SER A 106 -4.209 2.295 -6.544 1.00 0.00 C +ATOM 1620 OG SER A 106 -4.745 1.069 -7.032 1.00 0.00 O +ATOM 1621 H SER A 106 -1.449 3.248 -6.037 1.00 0.00 H +ATOM 1622 HA SER A 106 -3.519 1.930 -4.537 1.00 0.00 H +ATOM 1623 HB2 SER A 106 -5.004 2.880 -6.081 1.00 0.00 H +ATOM 1624 HB3 SER A 106 -3.827 2.882 -7.380 1.00 0.00 H +ATOM 1625 HG SER A 106 -5.366 0.674 -6.355 1.00 0.00 H +ATOM 1626 N TYR A 107 -2.834 -0.323 -5.706 1.00 0.00 N +ATOM 1627 CA TYR A 107 -2.158 -1.567 -6.035 1.00 0.00 C +ATOM 1628 C TYR A 107 -3.167 -2.681 -6.320 1.00 0.00 C +ATOM 1629 O TYR A 107 -4.250 -2.706 -5.738 1.00 0.00 O +ATOM 1630 CB TYR A 107 -1.339 -1.941 -4.797 1.00 0.00 C +ATOM 1631 CG TYR A 107 -2.183 -2.417 -3.613 1.00 0.00 C +ATOM 1632 CD1 TYR A 107 -2.831 -3.633 -3.673 1.00 0.00 C +ATOM 1633 CD2 TYR A 107 -2.296 -1.629 -2.486 1.00 0.00 C +ATOM 1634 CE1 TYR A 107 -3.626 -4.081 -2.558 1.00 0.00 C +ATOM 1635 CE2 TYR A 107 -3.090 -2.077 -1.371 1.00 0.00 C +ATOM 1636 CZ TYR A 107 -3.716 -3.281 -1.462 1.00 0.00 C +ATOM 1637 OH TYR A 107 -4.466 -3.703 -0.410 1.00 0.00 O +ATOM 1638 H TYR A 107 -3.747 -0.430 -5.314 1.00 0.00 H +ATOM 1639 HA TYR A 107 -1.554 -1.397 -6.926 1.00 0.00 H +ATOM 1640 HB2 TYR A 107 -0.633 -2.727 -5.066 1.00 0.00 H +ATOM 1641 HB3 TYR A 107 -0.752 -1.077 -4.488 1.00 0.00 H +ATOM 1642 HD1 TYR A 107 -2.742 -4.256 -4.563 1.00 0.00 H +ATOM 1643 HD2 TYR A 107 -1.783 -0.668 -2.439 1.00 0.00 H +ATOM 1644 HE1 TYR A 107 -4.143 -5.040 -2.592 1.00 0.00 H +ATOM 1645 HE2 TYR A 107 -3.188 -1.464 -0.475 1.00 0.00 H +ATOM 1646 HH TYR A 107 -5.335 -4.075 -0.736 1.00 0.00 H +ATOM 1647 N ILE A 108 -2.775 -3.576 -7.215 1.00 0.00 N +ATOM 1648 CA ILE A 108 -3.632 -4.690 -7.584 1.00 0.00 C +ATOM 1649 C ILE A 108 -3.394 -5.852 -6.619 1.00 0.00 C +ATOM 1650 O ILE A 108 -2.277 -6.053 -6.146 1.00 0.00 O +ATOM 1651 CB ILE A 108 -3.426 -5.059 -9.055 1.00 0.00 C +ATOM 1652 CG1 ILE A 108 -3.477 -3.816 -9.945 1.00 0.00 C +ATOM 1653 CG2 ILE A 108 -4.431 -6.124 -9.498 1.00 0.00 C +ATOM 1654 CD1 ILE A 108 -3.513 -4.203 -11.425 1.00 0.00 C +ATOM 1655 H ILE A 108 -1.892 -3.548 -7.684 1.00 0.00 H +ATOM 1656 HA ILE A 108 -4.664 -4.357 -7.477 1.00 0.00 H +ATOM 1657 HB ILE A 108 -2.431 -5.491 -9.162 1.00 0.00 H +ATOM 1658 HG12 ILE A 108 -4.359 -3.224 -9.699 1.00 0.00 H +ATOM 1659 HG13 ILE A 108 -2.608 -3.189 -9.751 1.00 0.00 H +ATOM 1660 HG21 ILE A 108 -5.283 -5.643 -9.976 1.00 0.00 H +ATOM 1661 HG22 ILE A 108 -3.953 -6.803 -10.205 1.00 0.00 H +ATOM 1662 HG23 ILE A 108 -4.771 -6.687 -8.629 1.00 0.00 H +ATOM 1663 HD11 ILE A 108 -3.508 -3.301 -12.037 1.00 0.00 H +ATOM 1664 HD12 ILE A 108 -2.639 -4.809 -11.664 1.00 0.00 H +ATOM 1665 HD13 ILE A 108 -4.419 -4.775 -11.629 1.00 0.00 H +ATOM 1666 N CYS A 109 -4.464 -6.588 -6.355 1.00 0.00 N +ATOM 1667 CA CYS A 109 -4.386 -7.726 -5.454 1.00 0.00 C +ATOM 1668 C CYS A 109 -5.539 -8.677 -5.780 1.00 0.00 C +ATOM 1669 O CYS A 109 -6.563 -8.256 -6.316 1.00 0.00 O +ATOM 1670 CB CYS A 109 -4.404 -7.288 -3.988 1.00 0.00 C +ATOM 1671 SG CYS A 109 -6.050 -6.614 -3.556 1.00 0.00 S +ATOM 1672 H CYS A 109 -5.369 -6.418 -6.743 1.00 0.00 H +ATOM 1673 HA CYS A 109 -3.425 -8.205 -5.638 1.00 0.00 H +ATOM 1674 HB2 CYS A 109 -4.169 -8.136 -3.344 1.00 0.00 H +ATOM 1675 HB3 CYS A 109 -3.636 -6.534 -3.815 1.00 0.00 H +ATOM 1676 HG CYS A 109 -5.918 -5.479 -4.237 1.00 0.00 H +ATOM 1677 N ARG A 110 -5.334 -9.942 -5.443 1.00 0.00 N +ATOM 1678 CA ARG A 110 -6.344 -10.956 -5.693 1.00 0.00 C +ATOM 1679 C ARG A 110 -7.371 -10.973 -4.560 1.00 0.00 C +ATOM 1680 O ARG A 110 -7.035 -11.280 -3.417 1.00 0.00 O +ATOM 1681 CB ARG A 110 -5.711 -12.343 -5.820 1.00 0.00 C +ATOM 1682 CG ARG A 110 -6.764 -13.396 -6.172 1.00 0.00 C +ATOM 1683 CD ARG A 110 -6.658 -14.609 -5.247 1.00 0.00 C +ATOM 1684 NE ARG A 110 -5.604 -15.527 -5.735 1.00 0.00 N +ATOM 1685 CZ ARG A 110 -5.673 -16.204 -6.889 1.00 0.00 C +ATOM 1686 NH1 ARG A 110 -6.746 -16.071 -7.681 1.00 0.00 N +ATOM 1687 NH2 ARG A 110 -4.670 -17.015 -7.252 1.00 0.00 N +ATOM 1688 H ARG A 110 -4.498 -10.276 -5.007 1.00 0.00 H +ATOM 1689 HA ARG A 110 -6.805 -10.663 -6.636 1.00 0.00 H +ATOM 1690 HB2 ARG A 110 -4.938 -12.326 -6.588 1.00 0.00 H +ATOM 1691 HB3 ARG A 110 -5.223 -12.611 -4.883 1.00 0.00 H +ATOM 1692 HG2 ARG A 110 -7.760 -12.960 -6.093 1.00 0.00 H +ATOM 1693 HG3 ARG A 110 -6.636 -13.711 -7.208 1.00 0.00 H +ATOM 1694 HD2 ARG A 110 -6.427 -14.284 -4.232 1.00 0.00 H +ATOM 1695 HD3 ARG A 110 -7.614 -15.130 -5.205 1.00 0.00 H +ATOM 1696 HE ARG A 110 -4.790 -15.650 -5.168 1.00 0.00 H +ATOM 1697 HH11 ARG A 110 -7.495 -15.466 -7.410 1.00 0.00 H +ATOM 1698 HH12 ARG A 110 -6.798 -16.576 -8.542 1.00 0.00 H +ATOM 1699 HH21 ARG A 110 -3.869 -17.115 -6.661 1.00 0.00 H +ATOM 1700 HH22 ARG A 110 -4.722 -17.521 -8.113 1.00 0.00 H +ATOM 1701 N ASP A 111 -8.603 -10.639 -4.916 1.00 0.00 N +ATOM 1702 CA ASP A 111 -9.682 -10.612 -3.943 1.00 0.00 C +ATOM 1703 C ASP A 111 -9.579 -11.843 -3.040 1.00 0.00 C +ATOM 1704 O ASP A 111 -9.008 -12.859 -3.432 1.00 0.00 O +ATOM 1705 CB ASP A 111 -11.047 -10.645 -4.633 1.00 0.00 C +ATOM 1706 CG ASP A 111 -12.223 -10.200 -3.761 1.00 0.00 C +ATOM 1707 OD1 ASP A 111 -11.961 -9.852 -2.589 1.00 0.00 O +ATOM 1708 OD2 ASP A 111 -13.357 -10.219 -4.286 1.00 0.00 O +ATOM 1709 H ASP A 111 -8.868 -10.390 -5.847 1.00 0.00 H +ATOM 1710 HA ASP A 111 -9.549 -9.680 -3.394 1.00 0.00 H +ATOM 1711 HB2 ASP A 111 -11.007 -10.006 -5.515 1.00 0.00 H +ATOM 1712 HB3 ASP A 111 -11.237 -11.659 -4.982 1.00 0.00 H +ATOM 1713 N GLY A 112 -10.142 -11.711 -1.847 1.00 0.00 N +ATOM 1714 CA GLY A 112 -10.121 -12.800 -0.885 1.00 0.00 C +ATOM 1715 C GLY A 112 -11.521 -13.067 -0.329 1.00 0.00 C +ATOM 1716 O GLY A 112 -11.677 -13.353 0.857 1.00 0.00 O +ATOM 1717 H GLY A 112 -10.605 -10.881 -1.536 1.00 0.00 H +ATOM 1718 HA2 GLY A 112 -9.736 -13.703 -1.361 1.00 0.00 H +ATOM 1719 HA3 GLY A 112 -9.441 -12.556 -0.069 1.00 0.00 H +ATOM 1720 N THR A 113 -12.503 -12.965 -1.212 1.00 0.00 N +ATOM 1721 CA THR A 113 -13.885 -13.191 -0.823 1.00 0.00 C +ATOM 1722 C THR A 113 -14.644 -13.905 -1.944 1.00 0.00 C +ATOM 1723 O THR A 113 -15.292 -14.924 -1.709 1.00 0.00 O +ATOM 1724 CB THR A 113 -14.496 -11.842 -0.440 1.00 0.00 C +ATOM 1725 OG1 THR A 113 -13.945 -10.930 -1.386 1.00 0.00 O +ATOM 1726 CG2 THR A 113 -13.987 -11.331 0.909 1.00 0.00 C +ATOM 1727 H THR A 113 -12.368 -12.732 -2.175 1.00 0.00 H +ATOM 1728 HA THR A 113 -13.894 -13.854 0.042 1.00 0.00 H +ATOM 1729 HB THR A 113 -15.585 -11.890 -0.453 1.00 0.00 H +ATOM 1730 HG1 THR A 113 -12.948 -10.926 -1.317 1.00 0.00 H +ATOM 1731 HG21 THR A 113 -12.920 -11.534 0.996 1.00 0.00 H +ATOM 1732 HG22 THR A 113 -14.159 -10.257 0.980 1.00 0.00 H +ATOM 1733 HG23 THR A 113 -14.519 -11.838 1.714 1.00 0.00 H +ATOM 1734 N THR A 114 -14.537 -13.343 -3.139 1.00 0.00 N +ATOM 1735 CA THR A 114 -15.205 -13.913 -4.297 1.00 0.00 C +ATOM 1736 C THR A 114 -14.263 -14.861 -5.043 1.00 0.00 C +ATOM 1737 O THR A 114 -14.035 -15.987 -4.604 1.00 0.00 O +ATOM 1738 CB THR A 114 -15.717 -12.760 -5.162 1.00 0.00 C +ATOM 1739 OG1 THR A 114 -16.735 -12.156 -4.368 1.00 0.00 O +ATOM 1740 CG2 THR A 114 -16.458 -13.248 -6.409 1.00 0.00 C +ATOM 1741 H THR A 114 -14.007 -12.515 -3.322 1.00 0.00 H +ATOM 1742 HA THR A 114 -16.048 -14.509 -3.948 1.00 0.00 H +ATOM 1743 HB THR A 114 -14.905 -12.084 -5.431 1.00 0.00 H +ATOM 1744 HG1 THR A 114 -16.361 -11.373 -3.871 1.00 0.00 H +ATOM 1745 HG21 THR A 114 -17.394 -12.700 -6.513 1.00 0.00 H +ATOM 1746 HG22 THR A 114 -15.838 -13.079 -7.289 1.00 0.00 H +ATOM 1747 HG23 THR A 114 -16.669 -14.313 -6.312 1.00 0.00 H +ATOM 1748 N ARG A 115 -13.742 -14.369 -6.157 1.00 0.00 N +ATOM 1749 CA ARG A 115 -12.830 -15.158 -6.968 1.00 0.00 C +ATOM 1750 C ARG A 115 -12.341 -14.340 -8.165 1.00 0.00 C +ATOM 1751 O ARG A 115 -12.352 -14.822 -9.297 1.00 0.00 O +ATOM 1752 CB ARG A 115 -13.506 -16.434 -7.474 1.00 0.00 C +ATOM 1753 CG ARG A 115 -14.989 -16.191 -7.765 1.00 0.00 C +ATOM 1754 CD ARG A 115 -15.417 -16.896 -9.054 1.00 0.00 C +ATOM 1755 NE ARG A 115 -15.270 -18.361 -8.902 1.00 0.00 N +ATOM 1756 CZ ARG A 115 -15.499 -19.244 -9.884 1.00 0.00 C +ATOM 1757 NH1 ARG A 115 -15.886 -18.817 -11.093 1.00 0.00 N +ATOM 1758 NH2 ARG A 115 -15.340 -20.555 -9.655 1.00 0.00 N +ATOM 1759 H ARG A 115 -13.933 -13.452 -6.507 1.00 0.00 H +ATOM 1760 HA ARG A 115 -12.006 -15.406 -6.300 1.00 0.00 H +ATOM 1761 HB2 ARG A 115 -13.007 -16.781 -8.378 1.00 0.00 H +ATOM 1762 HB3 ARG A 115 -13.403 -17.224 -6.729 1.00 0.00 H +ATOM 1763 HG2 ARG A 115 -15.591 -16.552 -6.931 1.00 0.00 H +ATOM 1764 HG3 ARG A 115 -15.175 -15.121 -7.853 1.00 0.00 H +ATOM 1765 HD2 ARG A 115 -16.452 -16.648 -9.287 1.00 0.00 H +ATOM 1766 HD3 ARG A 115 -14.810 -16.546 -9.889 1.00 0.00 H +ATOM 1767 HE ARG A 115 -14.983 -18.714 -8.012 1.00 0.00 H +ATOM 1768 HH11 ARG A 115 -16.004 -17.839 -11.263 1.00 0.00 H +ATOM 1769 HH12 ARG A 115 -16.056 -19.476 -11.826 1.00 0.00 H +ATOM 1770 HH21 ARG A 115 -15.052 -20.874 -8.753 1.00 0.00 H +ATOM 1771 HH22 ARG A 115 -15.511 -21.215 -10.388 1.00 0.00 H +ATOM 1772 N ARG A 116 -11.925 -13.117 -7.875 1.00 0.00 N +ATOM 1773 CA ARG A 116 -11.433 -12.227 -8.913 1.00 0.00 C +ATOM 1774 C ARG A 116 -10.263 -11.393 -8.387 1.00 0.00 C +ATOM 1775 O ARG A 116 -9.732 -11.670 -7.312 1.00 0.00 O +ATOM 1776 CB ARG A 116 -12.538 -11.290 -9.404 1.00 0.00 C +ATOM 1777 CG ARG A 116 -12.937 -10.293 -8.314 1.00 0.00 C +ATOM 1778 CD ARG A 116 -13.821 -9.182 -8.884 1.00 0.00 C +ATOM 1779 NE ARG A 116 -13.391 -8.849 -10.260 1.00 0.00 N +ATOM 1780 CZ ARG A 116 -13.880 -9.433 -11.362 1.00 0.00 C +ATOM 1781 NH1 ARG A 116 -14.819 -10.383 -11.256 1.00 0.00 N +ATOM 1782 NH2 ARG A 116 -13.431 -9.068 -12.571 1.00 0.00 N +ATOM 1783 H ARG A 116 -11.920 -12.732 -6.951 1.00 0.00 H +ATOM 1784 HA ARG A 116 -11.112 -12.889 -9.718 1.00 0.00 H +ATOM 1785 HB2 ARG A 116 -12.196 -10.750 -10.288 1.00 0.00 H +ATOM 1786 HB3 ARG A 116 -13.408 -11.874 -9.705 1.00 0.00 H +ATOM 1787 HG2 ARG A 116 -13.469 -10.814 -7.518 1.00 0.00 H +ATOM 1788 HG3 ARG A 116 -12.042 -9.859 -7.868 1.00 0.00 H +ATOM 1789 HD2 ARG A 116 -14.863 -9.501 -8.887 1.00 0.00 H +ATOM 1790 HD3 ARG A 116 -13.760 -8.297 -8.251 1.00 0.00 H +ATOM 1791 HE ARG A 116 -12.691 -8.144 -10.375 1.00 0.00 H +ATOM 1792 HH11 ARG A 116 -15.155 -10.656 -10.355 1.00 0.00 H +ATOM 1793 HH12 ARG A 116 -15.185 -10.819 -12.079 1.00 0.00 H +ATOM 1794 HH21 ARG A 116 -12.730 -8.359 -12.650 1.00 0.00 H +ATOM 1795 HH22 ARG A 116 -13.796 -9.504 -13.393 1.00 0.00 H +ATOM 1796 N TRP A 117 -9.895 -10.389 -9.169 1.00 0.00 N +ATOM 1797 CA TRP A 117 -8.798 -9.513 -8.795 1.00 0.00 C +ATOM 1798 C TRP A 117 -9.392 -8.179 -8.338 1.00 0.00 C +ATOM 1799 O TRP A 117 -10.353 -7.688 -8.929 1.00 0.00 O +ATOM 1800 CB TRP A 117 -7.802 -9.360 -9.946 1.00 0.00 C +ATOM 1801 CG TRP A 117 -7.330 -10.688 -10.542 1.00 0.00 C +ATOM 1802 CD1 TRP A 117 -8.003 -11.512 -11.357 1.00 0.00 C +ATOM 1803 CD2 TRP A 117 -6.047 -11.316 -10.335 1.00 0.00 C +ATOM 1804 NE1 TRP A 117 -7.251 -12.621 -11.689 1.00 0.00 N +ATOM 1805 CE2 TRP A 117 -6.024 -12.497 -11.047 1.00 0.00 C +ATOM 1806 CE3 TRP A 117 -4.943 -10.899 -9.571 1.00 0.00 C +ATOM 1807 CZ2 TRP A 117 -4.921 -13.360 -11.066 1.00 0.00 C +ATOM 1808 CZ3 TRP A 117 -3.849 -11.772 -9.600 1.00 0.00 C +ATOM 1809 CH2 TRP A 117 -3.809 -12.965 -10.312 1.00 0.00 C +ATOM 1810 H TRP A 117 -10.332 -10.170 -10.041 1.00 0.00 H +ATOM 1811 HA TRP A 117 -8.261 -9.984 -7.972 1.00 0.00 H +ATOM 1812 HB2 TRP A 117 -8.261 -8.763 -10.734 1.00 0.00 H +ATOM 1813 HB3 TRP A 117 -6.934 -8.804 -9.591 1.00 0.00 H +ATOM 1814 HD1 TRP A 117 -9.017 -11.330 -11.713 1.00 0.00 H +ATOM 1815 HE1 TRP A 117 -7.562 -13.441 -12.335 1.00 0.00 H +ATOM 1816 HE3 TRP A 117 -4.937 -9.971 -8.999 1.00 0.00 H +ATOM 1817 HZ2 TRP A 117 -4.927 -14.288 -11.638 1.00 0.00 H +ATOM 1818 HZ3 TRP A 117 -2.965 -11.496 -9.024 1.00 0.00 H +ATOM 1819 HH2 TRP A 117 -2.917 -13.590 -10.284 1.00 0.00 H +ATOM 1820 N ILE A 118 -8.796 -7.631 -7.289 1.00 0.00 N +ATOM 1821 CA ILE A 118 -9.254 -6.363 -6.746 1.00 0.00 C +ATOM 1822 C ILE A 118 -8.061 -5.417 -6.593 1.00 0.00 C +ATOM 1823 O ILE A 118 -6.943 -5.859 -6.333 1.00 0.00 O +ATOM 1824 CB ILE A 118 -10.032 -6.587 -5.448 1.00 0.00 C +ATOM 1825 CG1 ILE A 118 -11.217 -7.528 -5.673 1.00 0.00 C +ATOM 1826 CG2 ILE A 118 -10.466 -5.255 -4.832 1.00 0.00 C +ATOM 1827 CD1 ILE A 118 -12.503 -6.740 -5.927 1.00 0.00 C +ATOM 1828 H ILE A 118 -8.015 -8.036 -6.814 1.00 0.00 H +ATOM 1829 HA ILE A 118 -9.948 -5.931 -7.467 1.00 0.00 H +ATOM 1830 HB ILE A 118 -9.368 -7.071 -4.731 1.00 0.00 H +ATOM 1831 HG12 ILE A 118 -11.011 -8.180 -6.523 1.00 0.00 H +ATOM 1832 HG13 ILE A 118 -11.346 -8.171 -4.803 1.00 0.00 H +ATOM 1833 HG21 ILE A 118 -10.944 -5.438 -3.870 1.00 0.00 H +ATOM 1834 HG22 ILE A 118 -9.593 -4.619 -4.690 1.00 0.00 H +ATOM 1835 HG23 ILE A 118 -11.172 -4.760 -5.500 1.00 0.00 H +ATOM 1836 HD11 ILE A 118 -13.335 -7.432 -6.054 1.00 0.00 H +ATOM 1837 HD12 ILE A 118 -12.701 -6.085 -5.079 1.00 0.00 H +ATOM 1838 HD13 ILE A 118 -12.389 -6.139 -6.830 1.00 0.00 H +ATOM 1839 N CYS A 119 -8.340 -4.133 -6.762 1.00 0.00 N +ATOM 1840 CA CYS A 119 -7.304 -3.121 -6.647 1.00 0.00 C +ATOM 1841 C CYS A 119 -7.677 -2.181 -5.499 1.00 0.00 C +ATOM 1842 O CYS A 119 -8.849 -1.861 -5.309 1.00 0.00 O +ATOM 1843 CB CYS A 119 -7.102 -2.365 -7.961 1.00 0.00 C +ATOM 1844 SG CYS A 119 -5.492 -1.495 -7.942 1.00 0.00 S +ATOM 1845 H CYS A 119 -9.252 -3.782 -6.974 1.00 0.00 H +ATOM 1846 HA CYS A 119 -6.375 -3.648 -6.429 1.00 0.00 H +ATOM 1847 HB2 CYS A 119 -7.139 -3.060 -8.800 1.00 0.00 H +ATOM 1848 HB3 CYS A 119 -7.911 -1.648 -8.106 1.00 0.00 H +ATOM 1849 HG CYS A 119 -5.936 -0.369 -8.493 1.00 0.00 H +ATOM 1850 N HIS A 120 -6.657 -1.764 -4.762 1.00 0.00 N +ATOM 1851 CA HIS A 120 -6.863 -0.867 -3.638 1.00 0.00 C +ATOM 1852 C HIS A 120 -6.215 0.487 -3.936 1.00 0.00 C +ATOM 1853 O HIS A 120 -5.289 0.572 -4.742 1.00 0.00 O +ATOM 1854 CB HIS A 120 -6.353 -1.496 -2.340 1.00 0.00 C +ATOM 1855 CG HIS A 120 -7.197 -2.644 -1.841 1.00 0.00 C +ATOM 1856 ND1 HIS A 120 -7.815 -2.638 -0.603 1.00 0.00 N +ATOM 1857 CD2 HIS A 120 -7.518 -3.834 -2.426 1.00 0.00 C +ATOM 1858 CE1 HIS A 120 -8.476 -3.777 -0.460 1.00 0.00 C +ATOM 1859 NE2 HIS A 120 -8.289 -4.518 -1.590 1.00 0.00 N +ATOM 1860 H HIS A 120 -5.706 -2.029 -4.923 1.00 0.00 H +ATOM 1861 HA HIS A 120 -7.940 -0.730 -3.540 1.00 0.00 H +ATOM 1862 HB2 HIS A 120 -5.333 -1.848 -2.496 1.00 0.00 H +ATOM 1863 HB3 HIS A 120 -6.310 -0.727 -1.568 1.00 0.00 H +ATOM 1864 HD1 HIS A 120 -7.772 -1.898 0.068 1.00 0.00 H +ATOM 1865 HD2 HIS A 120 -7.195 -4.167 -3.413 1.00 0.00 H +ATOM 1866 HE1 HIS A 120 -9.064 -4.072 0.409 1.00 0.00 H +ATOM 1867 N CYS A 121 -6.727 1.512 -3.271 1.00 0.00 N +ATOM 1868 CA CYS A 121 -6.209 2.857 -3.454 1.00 0.00 C +ATOM 1869 C CYS A 121 -6.103 3.522 -2.081 1.00 0.00 C +ATOM 1870 O CYS A 121 -6.855 3.189 -1.166 1.00 0.00 O +ATOM 1871 CB CYS A 121 -7.077 3.670 -4.417 1.00 0.00 C +ATOM 1872 SG CYS A 121 -7.588 2.628 -5.832 1.00 0.00 S +ATOM 1873 H CYS A 121 -7.480 1.434 -2.618 1.00 0.00 H +ATOM 1874 HA CYS A 121 -5.225 2.754 -3.912 1.00 0.00 H +ATOM 1875 HB2 CYS A 121 -7.957 4.048 -3.896 1.00 0.00 H +ATOM 1876 HB3 CYS A 121 -6.522 4.537 -4.775 1.00 0.00 H +ATOM 1877 HG CYS A 121 -7.610 3.611 -6.728 1.00 0.00 H +ATOM 1878 N PHE A 122 -5.164 4.451 -1.979 1.00 0.00 N +ATOM 1879 CA PHE A 122 -4.949 5.166 -0.733 1.00 0.00 C +ATOM 1880 C PHE A 122 -4.478 6.597 -0.996 1.00 0.00 C +ATOM 1881 O PHE A 122 -3.460 6.808 -1.655 1.00 0.00 O +ATOM 1882 CB PHE A 122 -3.858 4.414 0.032 1.00 0.00 C +ATOM 1883 CG PHE A 122 -4.185 2.943 0.298 1.00 0.00 C +ATOM 1884 CD1 PHE A 122 -4.115 2.038 -0.714 1.00 0.00 C +ATOM 1885 CD2 PHE A 122 -4.545 2.542 1.546 1.00 0.00 C +ATOM 1886 CE1 PHE A 122 -4.418 0.672 -0.468 1.00 0.00 C +ATOM 1887 CE2 PHE A 122 -4.848 1.176 1.793 1.00 0.00 C +ATOM 1888 CZ PHE A 122 -4.778 0.271 0.781 1.00 0.00 C +ATOM 1889 H PHE A 122 -4.556 4.715 -2.728 1.00 0.00 H +ATOM 1890 HA PHE A 122 -5.903 5.190 -0.206 1.00 0.00 H +ATOM 1891 HB2 PHE A 122 -2.927 4.473 -0.532 1.00 0.00 H +ATOM 1892 HB3 PHE A 122 -3.686 4.915 0.985 1.00 0.00 H +ATOM 1893 HD1 PHE A 122 -3.826 2.360 -1.715 1.00 0.00 H +ATOM 1894 HD2 PHE A 122 -4.601 3.267 2.357 1.00 0.00 H +ATOM 1895 HE1 PHE A 122 -4.362 -0.053 -1.279 1.00 0.00 H +ATOM 1896 HE2 PHE A 122 -5.137 0.854 2.793 1.00 0.00 H +ATOM 1897 HZ PHE A 122 -5.011 -0.777 0.970 1.00 0.00 H +ATOM 1898 N MET A 123 -5.239 7.544 -0.468 1.00 0.00 N +ATOM 1899 CA MET A 123 -4.912 8.949 -0.637 1.00 0.00 C +ATOM 1900 C MET A 123 -4.033 9.450 0.511 1.00 0.00 C +ATOM 1901 O MET A 123 -4.534 9.763 1.590 1.00 0.00 O +ATOM 1902 CB MET A 123 -6.202 9.771 -0.689 1.00 0.00 C +ATOM 1903 CG MET A 123 -6.514 10.211 -2.121 1.00 0.00 C +ATOM 1904 SD MET A 123 -5.730 11.777 -2.463 1.00 0.00 S +ATOM 1905 CE MET A 123 -5.565 11.660 -4.237 1.00 0.00 C +ATOM 1906 H MET A 123 -6.065 7.364 0.067 1.00 0.00 H +ATOM 1907 HA MET A 123 -4.364 9.011 -1.577 1.00 0.00 H +ATOM 1908 HB2 MET A 123 -7.030 9.180 -0.297 1.00 0.00 H +ATOM 1909 HB3 MET A 123 -6.104 10.648 -0.048 1.00 0.00 H +ATOM 1910 HG2 MET A 123 -6.164 9.458 -2.826 1.00 0.00 H +ATOM 1911 HG3 MET A 123 -7.592 10.298 -2.256 1.00 0.00 H +ATOM 1912 HE1 MET A 123 -4.597 11.224 -4.484 1.00 0.00 H +ATOM 1913 HE2 MET A 123 -6.360 11.030 -4.635 1.00 0.00 H +ATOM 1914 HE3 MET A 123 -5.637 12.656 -4.675 1.00 0.00 H +ATOM 1915 N ALA A 124 -2.738 9.509 0.239 1.00 0.00 N +ATOM 1916 CA ALA A 124 -1.784 9.966 1.236 1.00 0.00 C +ATOM 1917 C ALA A 124 -2.324 11.230 1.910 1.00 0.00 C +ATOM 1918 O ALA A 124 -3.165 11.928 1.345 1.00 0.00 O +ATOM 1919 CB ALA A 124 -0.424 10.194 0.574 1.00 0.00 C +ATOM 1920 H ALA A 124 -2.339 9.252 -0.641 1.00 0.00 H +ATOM 1921 HA ALA A 124 -1.684 9.180 1.984 1.00 0.00 H +ATOM 1922 HB1 ALA A 124 -0.302 11.254 0.349 1.00 0.00 H +ATOM 1923 HB2 ALA A 124 0.368 9.873 1.252 1.00 0.00 H +ATOM 1924 HB3 ALA A 124 -0.368 9.618 -0.349 1.00 0.00 H +ATOM 1925 N VAL A 125 -1.818 11.485 3.107 1.00 0.00 N +ATOM 1926 CA VAL A 125 -2.238 12.652 3.864 1.00 0.00 C +ATOM 1927 C VAL A 125 -1.273 13.807 3.590 1.00 0.00 C +ATOM 1928 O VAL A 125 -1.661 14.821 3.012 1.00 0.00 O +ATOM 1929 CB VAL A 125 -2.345 12.302 5.350 1.00 0.00 C +ATOM 1930 CG1 VAL A 125 -2.448 13.566 6.205 1.00 0.00 C +ATOM 1931 CG2 VAL A 125 -3.529 11.367 5.609 1.00 0.00 C +ATOM 1932 H VAL A 125 -1.134 10.912 3.559 1.00 0.00 H +ATOM 1933 HA VAL A 125 -3.231 12.933 3.511 1.00 0.00 H +ATOM 1934 HB VAL A 125 -1.435 11.776 5.636 1.00 0.00 H +ATOM 1935 HG11 VAL A 125 -2.990 13.340 7.123 1.00 0.00 H +ATOM 1936 HG12 VAL A 125 -1.447 13.920 6.452 1.00 0.00 H +ATOM 1937 HG13 VAL A 125 -2.980 14.338 5.649 1.00 0.00 H +ATOM 1938 HG21 VAL A 125 -3.277 10.677 6.414 1.00 0.00 H +ATOM 1939 HG22 VAL A 125 -4.401 11.955 5.894 1.00 0.00 H +ATOM 1940 HG23 VAL A 125 -3.751 10.803 4.703 1.00 0.00 H +ATOM 1941 N LYS A 126 -0.034 13.615 4.019 1.00 0.00 N +ATOM 1942 CA LYS A 126 0.990 14.628 3.827 1.00 0.00 C +ATOM 1943 C LYS A 126 2.205 13.996 3.145 1.00 0.00 C +ATOM 1944 O LYS A 126 3.344 14.279 3.513 1.00 0.00 O +ATOM 1945 CB LYS A 126 1.318 15.316 5.154 1.00 0.00 C +ATOM 1946 CG LYS A 126 1.916 14.324 6.153 1.00 0.00 C +ATOM 1947 CD LYS A 126 1.838 14.869 7.580 1.00 0.00 C +ATOM 1948 CE LYS A 126 3.227 14.932 8.219 1.00 0.00 C +ATOM 1949 NZ LYS A 126 3.135 15.431 9.610 1.00 0.00 N +ATOM 1950 H LYS A 126 0.273 12.787 4.488 1.00 0.00 H +ATOM 1951 HA LYS A 126 0.577 15.388 3.163 1.00 0.00 H +ATOM 1952 HB2 LYS A 126 2.020 16.132 4.981 1.00 0.00 H +ATOM 1953 HB3 LYS A 126 0.413 15.758 5.571 1.00 0.00 H +ATOM 1954 HG2 LYS A 126 1.382 13.375 6.092 1.00 0.00 H +ATOM 1955 HG3 LYS A 126 2.955 14.122 5.893 1.00 0.00 H +ATOM 1956 HD2 LYS A 126 1.393 15.864 7.570 1.00 0.00 H +ATOM 1957 HD3 LYS A 126 1.186 14.234 8.181 1.00 0.00 H +ATOM 1958 HE2 LYS A 126 3.683 13.942 8.211 1.00 0.00 H +ATOM 1959 HE3 LYS A 126 3.873 15.586 7.634 1.00 0.00 H +ATOM 1960 HZ1 LYS A 126 3.611 16.307 9.682 1.00 0.00 H +ATOM 1961 HZ2 LYS A 126 2.174 15.552 9.858 1.00 0.00 H +ATOM 1962 HZ3 LYS A 126 3.558 14.769 10.230 1.00 0.00 H +ATOM 1963 N ASP A 127 1.921 13.153 2.164 1.00 0.00 N +ATOM 1964 CA ASP A 127 2.976 12.478 1.427 1.00 0.00 C +ATOM 1965 C ASP A 127 2.541 12.298 -0.029 1.00 0.00 C +ATOM 1966 O ASP A 127 1.501 12.811 -0.437 1.00 0.00 O +ATOM 1967 CB ASP A 127 3.257 11.093 2.012 1.00 0.00 C +ATOM 1968 CG ASP A 127 3.367 11.044 3.537 1.00 0.00 C +ATOM 1969 OD1 ASP A 127 4.393 11.542 4.048 1.00 0.00 O +ATOM 1970 OD2 ASP A 127 2.422 10.511 4.157 1.00 0.00 O +ATOM 1971 H ASP A 127 0.991 12.928 1.871 1.00 0.00 H +ATOM 1972 HA ASP A 127 3.850 13.123 1.525 1.00 0.00 H +ATOM 1973 HB2 ASP A 127 2.464 10.415 1.698 1.00 0.00 H +ATOM 1974 HB3 ASP A 127 4.186 10.716 1.583 1.00 0.00 H +ATOM 1975 N THR A 128 3.360 11.568 -0.771 1.00 0.00 N +ATOM 1976 CA THR A 128 3.073 11.314 -2.173 1.00 0.00 C +ATOM 1977 C THR A 128 3.035 9.808 -2.445 1.00 0.00 C +ATOM 1978 O THR A 128 3.739 9.038 -1.793 1.00 0.00 O +ATOM 1979 CB THR A 128 4.115 12.056 -3.011 1.00 0.00 C +ATOM 1980 OG1 THR A 128 3.892 11.587 -4.338 1.00 0.00 O +ATOM 1981 CG2 THR A 128 5.545 11.613 -2.695 1.00 0.00 C +ATOM 1982 H THR A 128 4.205 11.155 -0.431 1.00 0.00 H +ATOM 1983 HA THR A 128 2.081 11.704 -2.397 1.00 0.00 H +ATOM 1984 HB THR A 128 4.008 13.135 -2.899 1.00 0.00 H +ATOM 1985 HG1 THR A 128 4.328 12.201 -4.996 1.00 0.00 H +ATOM 1986 HG21 THR A 128 6.181 11.792 -3.562 1.00 0.00 H +ATOM 1987 HG22 THR A 128 5.922 12.180 -1.845 1.00 0.00 H +ATOM 1988 HG23 THR A 128 5.551 10.550 -2.454 1.00 0.00 H +ATOM 1989 N GLY A 129 2.206 9.434 -3.409 1.00 0.00 N +ATOM 1990 CA GLY A 129 2.067 8.035 -3.775 1.00 0.00 C +ATOM 1991 C GLY A 129 3.436 7.365 -3.911 1.00 0.00 C +ATOM 1992 O GLY A 129 3.615 6.221 -3.496 1.00 0.00 O +ATOM 1993 H GLY A 129 1.637 10.067 -3.934 1.00 0.00 H +ATOM 1994 HA2 GLY A 129 1.477 7.515 -3.020 1.00 0.00 H +ATOM 1995 HA3 GLY A 129 1.524 7.954 -4.716 1.00 0.00 H +ATOM 1996 N GLU A 130 4.367 8.107 -4.492 1.00 0.00 N +ATOM 1997 CA GLU A 130 5.714 7.599 -4.688 1.00 0.00 C +ATOM 1998 C GLU A 130 6.205 6.895 -3.421 1.00 0.00 C +ATOM 1999 O GLU A 130 6.504 5.702 -3.446 1.00 0.00 O +ATOM 2000 CB GLU A 130 6.670 8.722 -5.096 1.00 0.00 C +ATOM 2001 CG GLU A 130 7.338 8.413 -6.437 1.00 0.00 C +ATOM 2002 CD GLU A 130 6.353 8.593 -7.595 1.00 0.00 C +ATOM 2003 OE1 GLU A 130 5.706 9.663 -7.628 1.00 0.00 O +ATOM 2004 OE2 GLU A 130 6.269 7.658 -8.419 1.00 0.00 O +ATOM 2005 H GLU A 130 4.213 9.037 -4.826 1.00 0.00 H +ATOM 2006 HA GLU A 130 5.637 6.881 -5.504 1.00 0.00 H +ATOM 2007 HB2 GLU A 130 6.123 9.662 -5.166 1.00 0.00 H +ATOM 2008 HB3 GLU A 130 7.432 8.853 -4.328 1.00 0.00 H +ATOM 2009 HG2 GLU A 130 8.196 9.070 -6.580 1.00 0.00 H +ATOM 2010 HG3 GLU A 130 7.715 7.391 -6.433 1.00 0.00 H +ATOM 2011 N ARG A 131 6.273 7.663 -2.344 1.00 0.00 N +ATOM 2012 CA ARG A 131 6.723 7.128 -1.070 1.00 0.00 C +ATOM 2013 C ARG A 131 5.967 5.839 -0.740 1.00 0.00 C +ATOM 2014 O ARG A 131 6.572 4.847 -0.335 1.00 0.00 O +ATOM 2015 CB ARG A 131 6.510 8.139 0.058 1.00 0.00 C +ATOM 2016 CG ARG A 131 7.244 9.449 -0.234 1.00 0.00 C +ATOM 2017 CD ARG A 131 7.764 10.086 1.056 1.00 0.00 C +ATOM 2018 NE ARG A 131 7.032 11.343 1.331 1.00 0.00 N +ATOM 2019 CZ ARG A 131 7.152 12.458 0.598 1.00 0.00 C +ATOM 2020 NH1 ARG A 131 7.976 12.480 -0.458 1.00 0.00 N +ATOM 2021 NH2 ARG A 131 6.448 13.552 0.922 1.00 0.00 N +ATOM 2022 H ARG A 131 6.028 8.633 -2.332 1.00 0.00 H +ATOM 2023 HA ARG A 131 7.786 6.935 -1.209 1.00 0.00 H +ATOM 2024 HB2 ARG A 131 5.444 8.334 0.180 1.00 0.00 H +ATOM 2025 HB3 ARG A 131 6.867 7.720 0.999 1.00 0.00 H +ATOM 2026 HG2 ARG A 131 8.076 9.261 -0.912 1.00 0.00 H +ATOM 2027 HG3 ARG A 131 6.571 10.142 -0.740 1.00 0.00 H +ATOM 2028 HD2 ARG A 131 7.640 9.394 1.889 1.00 0.00 H +ATOM 2029 HD3 ARG A 131 8.831 10.289 0.967 1.00 0.00 H +ATOM 2030 HE ARG A 131 6.408 11.361 2.113 1.00 0.00 H +ATOM 2031 HH11 ARG A 131 8.501 11.664 -0.700 1.00 0.00 H +ATOM 2032 HH12 ARG A 131 8.065 13.312 -1.005 1.00 0.00 H +ATOM 2033 HH21 ARG A 131 5.833 13.535 1.710 1.00 0.00 H +ATOM 2034 HH22 ARG A 131 6.538 14.384 0.375 1.00 0.00 H +ATOM 2035 N LEU A 132 4.657 5.895 -0.925 1.00 0.00 N +ATOM 2036 CA LEU A 132 3.813 4.744 -0.652 1.00 0.00 C +ATOM 2037 C LEU A 132 4.218 3.590 -1.571 1.00 0.00 C +ATOM 2038 O LEU A 132 4.135 2.425 -1.184 1.00 0.00 O +ATOM 2039 CB LEU A 132 2.335 5.126 -0.760 1.00 0.00 C +ATOM 2040 CG LEU A 132 1.808 6.080 0.314 1.00 0.00 C +ATOM 2041 CD1 LEU A 132 2.056 7.538 -0.078 1.00 0.00 C +ATOM 2042 CD2 LEU A 132 0.332 5.808 0.612 1.00 0.00 C +ATOM 2043 H LEU A 132 4.173 6.705 -1.255 1.00 0.00 H +ATOM 2044 HA LEU A 132 3.993 4.444 0.380 1.00 0.00 H +ATOM 2045 HB2 LEU A 132 2.168 5.582 -1.736 1.00 0.00 H +ATOM 2046 HB3 LEU A 132 1.741 4.213 -0.730 1.00 0.00 H +ATOM 2047 HG LEU A 132 2.361 5.896 1.235 1.00 0.00 H +ATOM 2048 HD11 LEU A 132 2.197 7.605 -1.156 1.00 0.00 H +ATOM 2049 HD12 LEU A 132 1.198 8.143 0.215 1.00 0.00 H +ATOM 2050 HD13 LEU A 132 2.948 7.904 0.429 1.00 0.00 H +ATOM 2051 HD21 LEU A 132 0.138 4.738 0.544 1.00 0.00 H +ATOM 2052 HD22 LEU A 132 0.094 6.157 1.617 1.00 0.00 H +ATOM 2053 HD23 LEU A 132 -0.288 6.337 -0.112 1.00 0.00 H +ATOM 2054 N SER A 133 4.648 3.953 -2.770 1.00 0.00 N +ATOM 2055 CA SER A 133 5.067 2.962 -3.747 1.00 0.00 C +ATOM 2056 C SER A 133 6.382 2.316 -3.306 1.00 0.00 C +ATOM 2057 O SER A 133 6.714 1.216 -3.743 1.00 0.00 O +ATOM 2058 CB SER A 133 5.222 3.588 -5.135 1.00 0.00 C +ATOM 2059 OG SER A 133 6.575 3.936 -5.415 1.00 0.00 O +ATOM 2060 H SER A 133 4.713 4.903 -3.077 1.00 0.00 H +ATOM 2061 HA SER A 133 4.266 2.223 -3.770 1.00 0.00 H +ATOM 2062 HB2 SER A 133 4.863 2.889 -5.890 1.00 0.00 H +ATOM 2063 HB3 SER A 133 4.597 4.479 -5.203 1.00 0.00 H +ATOM 2064 HG SER A 133 6.865 4.688 -4.823 1.00 0.00 H +ATOM 2065 N HIS A 134 7.095 3.029 -2.446 1.00 0.00 N +ATOM 2066 CA HIS A 134 8.366 2.538 -1.942 1.00 0.00 C +ATOM 2067 C HIS A 134 8.118 1.533 -0.816 1.00 0.00 C +ATOM 2068 O HIS A 134 8.704 0.451 -0.804 1.00 0.00 O +ATOM 2069 CB HIS A 134 9.265 3.700 -1.512 1.00 0.00 C +ATOM 2070 CG HIS A 134 10.567 3.268 -0.881 1.00 0.00 C +ATOM 2071 ND1 HIS A 134 10.706 3.052 0.479 1.00 0.00 N +ATOM 2072 CD2 HIS A 134 11.786 3.015 -1.438 1.00 0.00 C +ATOM 2073 CE1 HIS A 134 11.956 2.686 0.718 1.00 0.00 C +ATOM 2074 NE2 HIS A 134 12.624 2.664 -0.471 1.00 0.00 N +ATOM 2075 H HIS A 134 6.818 3.923 -2.096 1.00 0.00 H +ATOM 2076 HA HIS A 134 8.856 2.028 -2.771 1.00 0.00 H +ATOM 2077 HB2 HIS A 134 9.482 4.319 -2.383 1.00 0.00 H +ATOM 2078 HB3 HIS A 134 8.720 4.325 -0.805 1.00 0.00 H +ATOM 2079 HD1 HIS A 134 9.985 3.154 1.164 1.00 0.00 H +ATOM 2080 HD2 HIS A 134 12.030 3.088 -2.498 1.00 0.00 H +ATOM 2081 HE1 HIS A 134 12.377 2.444 1.694 1.00 0.00 H +ATOM 2082 N ALA A 135 7.249 1.925 0.104 1.00 0.00 N +ATOM 2083 CA ALA A 135 6.916 1.072 1.232 1.00 0.00 C +ATOM 2084 C ALA A 135 6.314 -0.237 0.716 1.00 0.00 C +ATOM 2085 O ALA A 135 6.766 -1.320 1.084 1.00 0.00 O +ATOM 2086 CB ALA A 135 5.969 1.818 2.174 1.00 0.00 C +ATOM 2087 H ALA A 135 6.776 2.807 0.087 1.00 0.00 H +ATOM 2088 HA ALA A 135 7.840 0.852 1.765 1.00 0.00 H +ATOM 2089 HB1 ALA A 135 6.446 1.942 3.146 1.00 0.00 H +ATOM 2090 HB2 ALA A 135 5.736 2.797 1.756 1.00 0.00 H +ATOM 2091 HB3 ALA A 135 5.049 1.245 2.292 1.00 0.00 H +ATOM 2092 N VAL A 136 5.304 -0.093 -0.130 1.00 0.00 N +ATOM 2093 CA VAL A 136 4.636 -1.251 -0.700 1.00 0.00 C +ATOM 2094 C VAL A 136 5.649 -2.079 -1.493 1.00 0.00 C +ATOM 2095 O VAL A 136 5.620 -3.308 -1.449 1.00 0.00 O +ATOM 2096 CB VAL A 136 3.440 -0.802 -1.543 1.00 0.00 C +ATOM 2097 CG1 VAL A 136 3.885 0.128 -2.674 1.00 0.00 C +ATOM 2098 CG2 VAL A 136 2.674 -2.007 -2.093 1.00 0.00 C +ATOM 2099 H VAL A 136 4.943 0.791 -0.425 1.00 0.00 H +ATOM 2100 HA VAL A 136 4.259 -1.853 0.126 1.00 0.00 H +ATOM 2101 HB VAL A 136 2.765 -0.243 -0.895 1.00 0.00 H +ATOM 2102 HG11 VAL A 136 4.073 -0.458 -3.573 1.00 0.00 H +ATOM 2103 HG12 VAL A 136 3.100 0.858 -2.874 1.00 0.00 H +ATOM 2104 HG13 VAL A 136 4.797 0.647 -2.380 1.00 0.00 H +ATOM 2105 HG21 VAL A 136 1.960 -2.354 -1.347 1.00 0.00 H +ATOM 2106 HG22 VAL A 136 2.141 -1.716 -2.998 1.00 0.00 H +ATOM 2107 HG23 VAL A 136 3.375 -2.808 -2.326 1.00 0.00 H +ATOM 2108 N GLY A 137 6.520 -1.374 -2.199 1.00 0.00 N +ATOM 2109 CA GLY A 137 7.540 -2.029 -3.000 1.00 0.00 C +ATOM 2110 C GLY A 137 8.679 -2.546 -2.121 1.00 0.00 C +ATOM 2111 O GLY A 137 9.496 -3.351 -2.566 1.00 0.00 O +ATOM 2112 H GLY A 137 6.536 -0.374 -2.229 1.00 0.00 H +ATOM 2113 HA2 GLY A 137 7.096 -2.858 -3.552 1.00 0.00 H +ATOM 2114 HA3 GLY A 137 7.933 -1.329 -3.737 1.00 0.00 H +ATOM 2115 N CYS A 138 8.698 -2.063 -0.887 1.00 0.00 N +ATOM 2116 CA CYS A 138 9.725 -2.467 0.059 1.00 0.00 C +ATOM 2117 C CYS A 138 9.374 -3.861 0.582 1.00 0.00 C +ATOM 2118 O CYS A 138 10.175 -4.789 0.472 1.00 0.00 O +ATOM 2119 CB CYS A 138 9.877 -1.453 1.195 1.00 0.00 C +ATOM 2120 SG CYS A 138 11.011 -0.109 0.687 1.00 0.00 S +ATOM 2121 H CYS A 138 8.030 -1.409 -0.532 1.00 0.00 H +ATOM 2122 HA CYS A 138 10.666 -2.484 -0.489 1.00 0.00 H +ATOM 2123 HB2 CYS A 138 8.904 -1.039 1.457 1.00 0.00 H +ATOM 2124 HB3 CYS A 138 10.263 -1.948 2.086 1.00 0.00 H +ATOM 2125 HG CYS A 138 11.235 -0.573 -0.540 1.00 0.00 H +ATOM 2126 N ALA A 139 8.177 -3.966 1.140 1.00 0.00 N +ATOM 2127 CA ALA A 139 7.710 -5.231 1.680 1.00 0.00 C +ATOM 2128 C ALA A 139 7.799 -6.307 0.595 1.00 0.00 C +ATOM 2129 O ALA A 139 8.284 -7.409 0.847 1.00 0.00 O +ATOM 2130 CB ALA A 139 6.289 -5.063 2.220 1.00 0.00 C +ATOM 2131 H ALA A 139 7.531 -3.206 1.225 1.00 0.00 H +ATOM 2132 HA ALA A 139 8.370 -5.503 2.504 1.00 0.00 H +ATOM 2133 HB1 ALA A 139 5.884 -4.107 1.888 1.00 0.00 H +ATOM 2134 HB2 ALA A 139 5.661 -5.873 1.848 1.00 0.00 H +ATOM 2135 HB3 ALA A 139 6.309 -5.090 3.310 1.00 0.00 H +ATOM 2136 N PHE A 140 7.322 -5.950 -0.588 1.00 0.00 N +ATOM 2137 CA PHE A 140 7.341 -6.871 -1.712 1.00 0.00 C +ATOM 2138 C PHE A 140 8.745 -7.437 -1.933 1.00 0.00 C +ATOM 2139 O PHE A 140 8.928 -8.653 -1.979 1.00 0.00 O +ATOM 2140 CB PHE A 140 6.925 -6.075 -2.950 1.00 0.00 C +ATOM 2141 CG PHE A 140 5.985 -6.833 -3.890 1.00 0.00 C +ATOM 2142 CD1 PHE A 140 4.657 -6.908 -3.609 1.00 0.00 C +ATOM 2143 CD2 PHE A 140 6.479 -7.431 -5.007 1.00 0.00 C +ATOM 2144 CE1 PHE A 140 3.785 -7.612 -4.482 1.00 0.00 C +ATOM 2145 CE2 PHE A 140 5.608 -8.135 -5.880 1.00 0.00 C +ATOM 2146 CZ PHE A 140 4.279 -8.210 -5.599 1.00 0.00 C +ATOM 2147 H PHE A 140 6.929 -5.051 -0.785 1.00 0.00 H +ATOM 2148 HA PHE A 140 6.656 -7.685 -1.474 1.00 0.00 H +ATOM 2149 HB2 PHE A 140 6.436 -5.154 -2.630 1.00 0.00 H +ATOM 2150 HB3 PHE A 140 7.819 -5.786 -3.502 1.00 0.00 H +ATOM 2151 HD1 PHE A 140 4.261 -6.429 -2.714 1.00 0.00 H +ATOM 2152 HD2 PHE A 140 7.544 -7.370 -5.233 1.00 0.00 H +ATOM 2153 HE1 PHE A 140 2.721 -7.672 -4.256 1.00 0.00 H +ATOM 2154 HE2 PHE A 140 6.003 -8.614 -6.775 1.00 0.00 H +ATOM 2155 HZ PHE A 140 3.610 -8.750 -6.269 1.00 0.00 H +ATOM 2156 N ALA A 141 9.701 -6.529 -2.064 1.00 0.00 N +ATOM 2157 CA ALA A 141 11.083 -6.923 -2.279 1.00 0.00 C +ATOM 2158 C ALA A 141 11.542 -7.810 -1.120 1.00 0.00 C +ATOM 2159 O ALA A 141 12.261 -8.786 -1.328 1.00 0.00 O +ATOM 2160 CB ALA A 141 11.952 -5.673 -2.436 1.00 0.00 C +ATOM 2161 H ALA A 141 9.544 -5.542 -2.025 1.00 0.00 H +ATOM 2162 HA ALA A 141 11.124 -7.498 -3.204 1.00 0.00 H +ATOM 2163 HB1 ALA A 141 11.704 -5.174 -3.373 1.00 0.00 H +ATOM 2164 HB2 ALA A 141 11.767 -4.995 -1.603 1.00 0.00 H +ATOM 2165 HB3 ALA A 141 13.003 -5.960 -2.445 1.00 0.00 H +ATOM 2166 N ALA A 142 11.108 -7.438 0.076 1.00 0.00 N +ATOM 2167 CA ALA A 142 11.466 -8.188 1.268 1.00 0.00 C +ATOM 2168 C ALA A 142 10.852 -9.587 1.189 1.00 0.00 C +ATOM 2169 O ALA A 142 11.569 -10.586 1.221 1.00 0.00 O +ATOM 2170 CB ALA A 142 11.010 -7.420 2.510 1.00 0.00 C +ATOM 2171 H ALA A 142 10.524 -6.643 0.236 1.00 0.00 H +ATOM 2172 HA ALA A 142 12.552 -8.278 1.290 1.00 0.00 H +ATOM 2173 HB1 ALA A 142 9.923 -7.465 2.586 1.00 0.00 H +ATOM 2174 HB2 ALA A 142 11.455 -7.868 3.398 1.00 0.00 H +ATOM 2175 HB3 ALA A 142 11.326 -6.380 2.431 1.00 0.00 H +ATOM 2176 N CYS A 143 9.531 -9.614 1.087 1.00 0.00 N +ATOM 2177 CA CYS A 143 8.813 -10.874 1.003 1.00 0.00 C +ATOM 2178 C CYS A 143 9.414 -11.695 -0.139 1.00 0.00 C +ATOM 2179 O CYS A 143 9.745 -12.866 0.041 1.00 0.00 O +ATOM 2180 CB CYS A 143 7.309 -10.656 0.819 1.00 0.00 C +ATOM 2181 SG CYS A 143 6.428 -12.256 0.928 1.00 0.00 S +ATOM 2182 H CYS A 143 8.956 -8.796 1.061 1.00 0.00 H +ATOM 2183 HA CYS A 143 8.953 -11.379 1.958 1.00 0.00 H +ATOM 2184 HB2 CYS A 143 6.936 -9.973 1.582 1.00 0.00 H +ATOM 2185 HB3 CYS A 143 7.116 -10.191 -0.148 1.00 0.00 H +ATOM 2186 HG CYS A 143 5.462 -11.828 1.736 1.00 0.00 H +ATOM 2187 N LEU A 144 9.538 -11.048 -1.289 1.00 0.00 N +ATOM 2188 CA LEU A 144 10.094 -11.704 -2.460 1.00 0.00 C +ATOM 2189 C LEU A 144 11.497 -12.219 -2.133 1.00 0.00 C +ATOM 2190 O LEU A 144 11.816 -13.377 -2.400 1.00 0.00 O +ATOM 2191 CB LEU A 144 10.049 -10.769 -3.670 1.00 0.00 C +ATOM 2192 CG LEU A 144 8.734 -10.745 -4.451 1.00 0.00 C +ATOM 2193 CD1 LEU A 144 8.883 -9.955 -5.753 1.00 0.00 C +ATOM 2194 CD2 LEU A 144 8.216 -12.163 -4.697 1.00 0.00 C +ATOM 2195 H LEU A 144 9.267 -10.096 -1.427 1.00 0.00 H +ATOM 2196 HA LEU A 144 9.458 -12.559 -2.690 1.00 0.00 H +ATOM 2197 HB2 LEU A 144 10.266 -9.756 -3.330 1.00 0.00 H +ATOM 2198 HB3 LEU A 144 10.849 -11.053 -4.354 1.00 0.00 H +ATOM 2199 HG LEU A 144 7.987 -10.230 -3.846 1.00 0.00 H +ATOM 2200 HD11 LEU A 144 9.170 -8.929 -5.524 1.00 0.00 H +ATOM 2201 HD12 LEU A 144 9.651 -10.418 -6.372 1.00 0.00 H +ATOM 2202 HD13 LEU A 144 7.934 -9.955 -6.289 1.00 0.00 H +ATOM 2203 HD21 LEU A 144 7.604 -12.175 -5.599 1.00 0.00 H +ATOM 2204 HD22 LEU A 144 9.060 -12.841 -4.822 1.00 0.00 H +ATOM 2205 HD23 LEU A 144 7.615 -12.484 -3.846 1.00 0.00 H +ATOM 2206 N GLU A 145 12.299 -11.334 -1.559 1.00 0.00 N +ATOM 2207 CA GLU A 145 13.661 -11.685 -1.192 1.00 0.00 C +ATOM 2208 C GLU A 145 13.715 -13.119 -0.662 1.00 0.00 C +ATOM 2209 O GLU A 145 14.458 -13.949 -1.182 1.00 0.00 O +ATOM 2210 CB GLU A 145 14.223 -10.699 -0.166 1.00 0.00 C +ATOM 2211 CG GLU A 145 15.472 -9.999 -0.706 1.00 0.00 C +ATOM 2212 CD GLU A 145 16.584 -9.974 0.344 1.00 0.00 C +ATOM 2213 OE1 GLU A 145 17.086 -11.073 0.664 1.00 0.00 O +ATOM 2214 OE2 GLU A 145 16.907 -8.858 0.803 1.00 0.00 O +ATOM 2215 H GLU A 145 12.032 -10.394 -1.345 1.00 0.00 H +ATOM 2216 HA GLU A 145 14.237 -11.609 -2.114 1.00 0.00 H +ATOM 2217 HB2 GLU A 145 13.465 -9.957 0.084 1.00 0.00 H +ATOM 2218 HB3 GLU A 145 14.468 -11.227 0.755 1.00 0.00 H +ATOM 2219 HG2 GLU A 145 15.823 -10.512 -1.601 1.00 0.00 H +ATOM 2220 HG3 GLU A 145 15.223 -8.979 -1.001 1.00 0.00 H +ATOM 2221 N ARG A 146 12.918 -13.366 0.367 1.00 0.00 N +ATOM 2222 CA ARG A 146 12.866 -14.685 0.974 1.00 0.00 C +ATOM 2223 C ARG A 146 12.830 -15.766 -0.109 1.00 0.00 C +ATOM 2224 O ARG A 146 13.536 -16.769 -0.013 1.00 0.00 O +ATOM 2225 CB ARG A 146 11.635 -14.831 1.871 1.00 0.00 C +ATOM 2226 CG ARG A 146 11.979 -14.519 3.328 1.00 0.00 C +ATOM 2227 CD ARG A 146 11.649 -13.065 3.671 1.00 0.00 C +ATOM 2228 NE ARG A 146 12.801 -12.431 4.350 1.00 0.00 N +ATOM 2229 CZ ARG A 146 13.120 -12.635 5.635 1.00 0.00 C +ATOM 2230 NH1 ARG A 146 12.376 -13.456 6.388 1.00 0.00 N +ATOM 2231 NH2 ARG A 146 14.184 -12.017 6.168 1.00 0.00 N +ATOM 2232 H ARG A 146 12.316 -12.685 0.784 1.00 0.00 H +ATOM 2233 HA ARG A 146 13.777 -14.755 1.568 1.00 0.00 H +ATOM 2234 HB2 ARG A 146 10.848 -14.159 1.527 1.00 0.00 H +ATOM 2235 HB3 ARG A 146 11.243 -15.845 1.794 1.00 0.00 H +ATOM 2236 HG2 ARG A 146 11.423 -15.187 3.988 1.00 0.00 H +ATOM 2237 HG3 ARG A 146 13.038 -14.707 3.504 1.00 0.00 H +ATOM 2238 HD2 ARG A 146 11.404 -12.515 2.762 1.00 0.00 H +ATOM 2239 HD3 ARG A 146 10.770 -13.024 4.314 1.00 0.00 H +ATOM 2240 HE ARG A 146 13.377 -11.812 3.816 1.00 0.00 H +ATOM 2241 HH11 ARG A 146 11.583 -13.917 5.991 1.00 0.00 H +ATOM 2242 HH12 ARG A 146 12.615 -13.608 7.348 1.00 0.00 H +ATOM 2243 HH21 ARG A 146 14.739 -11.404 5.606 1.00 0.00 H +ATOM 2244 HH22 ARG A 146 14.422 -12.169 7.127 1.00 0.00 H +ATOM 2245 N LYS A 147 12.001 -15.525 -1.114 1.00 0.00 N +ATOM 2246 CA LYS A 147 11.865 -16.465 -2.213 1.00 0.00 C +ATOM 2247 C LYS A 147 13.022 -16.268 -3.194 1.00 0.00 C +ATOM 2248 O LYS A 147 13.771 -17.203 -3.472 1.00 0.00 O +ATOM 2249 CB LYS A 147 10.484 -16.338 -2.859 1.00 0.00 C +ATOM 2250 CG LYS A 147 9.417 -16.010 -1.812 1.00 0.00 C +ATOM 2251 CD LYS A 147 8.013 -16.282 -2.355 1.00 0.00 C +ATOM 2252 CE LYS A 147 7.637 -15.268 -3.436 1.00 0.00 C +ATOM 2253 NZ LYS A 147 6.352 -14.611 -3.107 1.00 0.00 N +ATOM 2254 H LYS A 147 11.431 -14.707 -1.184 1.00 0.00 H +ATOM 2255 HA LYS A 147 11.934 -17.469 -1.795 1.00 0.00 H +ATOM 2256 HB2 LYS A 147 10.503 -15.558 -3.619 1.00 0.00 H +ATOM 2257 HB3 LYS A 147 10.227 -17.269 -3.365 1.00 0.00 H +ATOM 2258 HG2 LYS A 147 9.586 -16.607 -0.916 1.00 0.00 H +ATOM 2259 HG3 LYS A 147 9.501 -14.964 -1.518 1.00 0.00 H +ATOM 2260 HD2 LYS A 147 7.968 -17.291 -2.766 1.00 0.00 H +ATOM 2261 HD3 LYS A 147 7.289 -16.237 -1.541 1.00 0.00 H +ATOM 2262 HE2 LYS A 147 8.423 -14.517 -3.528 1.00 0.00 H +ATOM 2263 HE3 LYS A 147 7.560 -15.768 -4.402 1.00 0.00 H +ATOM 2264 HZ1 LYS A 147 5.648 -15.307 -2.969 1.00 0.00 H +ATOM 2265 HZ2 LYS A 147 6.458 -14.073 -2.271 1.00 0.00 H +ATOM 2266 HZ3 LYS A 147 6.083 -14.009 -3.859 1.00 0.00 H +ATOM 2267 N GLN A 148 13.133 -15.045 -3.691 1.00 0.00 N +ATOM 2268 CA GLN A 148 14.187 -14.713 -4.635 1.00 0.00 C +ATOM 2269 C GLN A 148 15.559 -14.891 -3.983 1.00 0.00 C +ATOM 2270 O GLN A 148 15.659 -15.402 -2.868 1.00 0.00 O +ATOM 2271 CB GLN A 148 14.015 -13.290 -5.170 1.00 0.00 C +ATOM 2272 CG GLN A 148 12.628 -13.100 -5.786 1.00 0.00 C +ATOM 2273 CD GLN A 148 12.732 -12.716 -7.264 1.00 0.00 C +ATOM 2274 OE1 GLN A 148 12.876 -13.552 -8.141 1.00 0.00 O +ATOM 2275 NE2 GLN A 148 12.651 -11.407 -7.490 1.00 0.00 N +ATOM 2276 H GLN A 148 12.520 -14.289 -3.459 1.00 0.00 H +ATOM 2277 HA GLN A 148 14.073 -15.420 -5.457 1.00 0.00 H +ATOM 2278 HB2 GLN A 148 14.159 -12.573 -4.362 1.00 0.00 H +ATOM 2279 HB3 GLN A 148 14.780 -13.084 -5.919 1.00 0.00 H +ATOM 2280 HG2 GLN A 148 12.052 -14.020 -5.686 1.00 0.00 H +ATOM 2281 HG3 GLN A 148 12.087 -12.325 -5.243 1.00 0.00 H +ATOM 2282 HE21 GLN A 148 12.533 -10.774 -6.725 1.00 0.00 H +ATOM 2283 HE22 GLN A 148 12.709 -11.057 -8.424 1.00 0.00 H +ATOM 2284 N LYS A 149 16.583 -14.461 -4.705 1.00 0.00 N +ATOM 2285 CA LYS A 149 17.945 -14.567 -4.211 1.00 0.00 C +ATOM 2286 C LYS A 149 18.587 -13.178 -4.196 1.00 0.00 C +ATOM 2287 O LYS A 149 18.259 -12.330 -5.024 1.00 0.00 O +ATOM 2288 CB LYS A 149 18.731 -15.599 -5.022 1.00 0.00 C +ATOM 2289 CG LYS A 149 18.887 -15.150 -6.476 1.00 0.00 C +ATOM 2290 CD LYS A 149 20.104 -14.237 -6.640 1.00 0.00 C +ATOM 2291 CE LYS A 149 20.550 -14.176 -8.102 1.00 0.00 C +ATOM 2292 NZ LYS A 149 20.769 -12.773 -8.519 1.00 0.00 N +ATOM 2293 H LYS A 149 16.493 -14.047 -5.611 1.00 0.00 H +ATOM 2294 HA LYS A 149 17.893 -14.934 -3.186 1.00 0.00 H +ATOM 2295 HB2 LYS A 149 19.714 -15.746 -4.575 1.00 0.00 H +ATOM 2296 HB3 LYS A 149 18.218 -16.560 -4.987 1.00 0.00 H +ATOM 2297 HG2 LYS A 149 18.993 -16.023 -7.120 1.00 0.00 H +ATOM 2298 HG3 LYS A 149 17.988 -14.624 -6.797 1.00 0.00 H +ATOM 2299 HD2 LYS A 149 19.861 -13.234 -6.288 1.00 0.00 H +ATOM 2300 HD3 LYS A 149 20.923 -14.602 -6.021 1.00 0.00 H +ATOM 2301 HE2 LYS A 149 21.469 -14.747 -8.232 1.00 0.00 H +ATOM 2302 HE3 LYS A 149 19.795 -14.637 -8.739 1.00 0.00 H +ATOM 2303 HZ1 LYS A 149 20.332 -12.617 -9.405 1.00 0.00 H +ATOM 2304 HZ2 LYS A 149 20.371 -12.157 -7.839 1.00 0.00 H +ATOM 2305 HZ3 LYS A 149 21.750 -12.596 -8.596 1.00 0.00 H +ATOM 2306 N ARG A 150 19.491 -12.989 -3.246 1.00 0.00 N +ATOM 2307 CA ARG A 150 20.182 -11.718 -3.113 1.00 0.00 C +ATOM 2308 C ARG A 150 21.669 -11.886 -3.432 1.00 0.00 C +ATOM 2309 O ARG A 150 22.305 -12.830 -2.965 1.00 0.00 O +ATOM 2310 CB ARG A 150 20.032 -11.155 -1.698 1.00 0.00 C +ATOM 2311 CG ARG A 150 20.805 -9.844 -1.545 1.00 0.00 C +ATOM 2312 CD ARG A 150 19.851 -8.653 -1.441 1.00 0.00 C +ATOM 2313 NE ARG A 150 19.996 -7.783 -2.630 1.00 0.00 N +ATOM 2314 CZ ARG A 150 19.173 -6.766 -2.922 1.00 0.00 C +ATOM 2315 NH1 ARG A 150 18.142 -6.485 -2.114 1.00 0.00 N +ATOM 2316 NH2 ARG A 150 19.382 -6.031 -4.023 1.00 0.00 N +ATOM 2317 H ARG A 150 19.752 -13.684 -2.577 1.00 0.00 H +ATOM 2318 HA ARG A 150 19.698 -11.060 -3.835 1.00 0.00 H +ATOM 2319 HB2 ARG A 150 18.977 -10.987 -1.480 1.00 0.00 H +ATOM 2320 HB3 ARG A 150 20.395 -11.883 -0.973 1.00 0.00 H +ATOM 2321 HG2 ARG A 150 21.433 -9.890 -0.655 1.00 0.00 H +ATOM 2322 HG3 ARG A 150 21.471 -9.708 -2.397 1.00 0.00 H +ATOM 2323 HD2 ARG A 150 18.822 -9.006 -1.362 1.00 0.00 H +ATOM 2324 HD3 ARG A 150 20.063 -8.083 -0.536 1.00 0.00 H +ATOM 2325 HE ARG A 150 20.755 -7.966 -3.255 1.00 0.00 H +ATOM 2326 HH11 ARG A 150 17.987 -7.034 -1.292 1.00 0.00 H +ATOM 2327 HH12 ARG A 150 17.529 -5.726 -2.332 1.00 0.00 H +ATOM 2328 HH21 ARG A 150 20.151 -6.241 -4.626 1.00 0.00 H +ATOM 2329 HH22 ARG A 150 18.768 -5.272 -4.241 1.00 0.00 H +ATOM 2330 N SER A 151 22.180 -10.956 -4.225 1.00 0.00 N +ATOM 2331 CA SER A 151 23.580 -10.989 -4.612 1.00 0.00 C +ATOM 2332 C SER A 151 24.390 -10.038 -3.729 1.00 0.00 C +ATOM 2333 O SER A 151 23.977 -8.905 -3.489 1.00 0.00 O +ATOM 2334 CB SER A 151 23.753 -10.620 -6.087 1.00 0.00 C +ATOM 2335 OG SER A 151 25.109 -10.730 -6.509 1.00 0.00 O +ATOM 2336 H SER A 151 21.656 -10.191 -4.601 1.00 0.00 H +ATOM 2337 HA SER A 151 23.898 -12.020 -4.456 1.00 0.00 H +ATOM 2338 HB2 SER A 151 23.129 -11.272 -6.699 1.00 0.00 H +ATOM 2339 HB3 SER A 151 23.404 -9.601 -6.249 1.00 0.00 H +ATOM 2340 HG SER A 151 25.243 -10.228 -7.364 1.00 0.00 H +ATOM 2341 N GLY A 152 25.529 -10.534 -3.269 1.00 0.00 N +ATOM 2342 CA GLY A 152 26.401 -9.743 -2.417 1.00 0.00 C +ATOM 2343 C GLY A 152 25.684 -9.334 -1.128 1.00 0.00 C +ATOM 2344 O GLY A 152 24.456 -9.286 -1.085 1.00 0.00 O +ATOM 2345 H GLY A 152 25.858 -11.457 -3.469 1.00 0.00 H +ATOM 2346 HA2 GLY A 152 27.295 -10.316 -2.174 1.00 0.00 H +ATOM 2347 HA3 GLY A 152 26.728 -8.852 -2.953 1.00 0.00 H +ATOM 2348 N PRO A 153 26.504 -9.043 -0.083 1.00 0.00 N +ATOM 2349 CA PRO A 153 25.961 -8.640 1.204 1.00 0.00 C +ATOM 2350 C PRO A 153 25.452 -7.198 1.157 1.00 0.00 C +ATOM 2351 O PRO A 153 26.062 -6.341 0.519 1.00 0.00 O +ATOM 2352 CB PRO A 153 27.101 -8.836 2.190 1.00 0.00 C +ATOM 2353 CG PRO A 153 28.370 -8.896 1.354 1.00 0.00 C +ATOM 2354 CD PRO A 153 27.963 -9.090 -0.097 1.00 0.00 C +ATOM 2355 HA PRO A 153 25.168 -9.203 1.437 1.00 0.00 H +ATOM 2356 HB2 PRO A 153 27.143 -8.015 2.906 1.00 0.00 H +ATOM 2357 HB3 PRO A 153 26.968 -9.753 2.764 1.00 0.00 H +ATOM 2358 HG2 PRO A 153 28.947 -7.979 1.470 1.00 0.00 H +ATOM 2359 HG3 PRO A 153 29.006 -9.717 1.685 1.00 0.00 H +ATOM 2360 HD2 PRO A 153 28.378 -8.308 -0.733 1.00 0.00 H +ATOM 2361 HD3 PRO A 153 28.325 -10.042 -0.486 1.00 0.00 H +ATOM 2362 N SER A 154 24.340 -6.975 1.840 1.00 0.00 N +ATOM 2363 CA SER A 154 23.742 -5.651 1.885 1.00 0.00 C +ATOM 2364 C SER A 154 23.067 -5.427 3.239 1.00 0.00 C +ATOM 2365 O SER A 154 21.843 -5.496 3.346 1.00 0.00 O +ATOM 2366 CB SER A 154 22.732 -5.465 0.751 1.00 0.00 C +ATOM 2367 OG SER A 154 21.739 -6.488 0.747 1.00 0.00 O +ATOM 2368 H SER A 154 23.850 -7.677 2.357 1.00 0.00 H +ATOM 2369 HA SER A 154 24.570 -4.956 1.750 1.00 0.00 H +ATOM 2370 HB2 SER A 154 22.249 -4.492 0.851 1.00 0.00 H +ATOM 2371 HB3 SER A 154 23.255 -5.464 -0.205 1.00 0.00 H +ATOM 2372 HG SER A 154 21.228 -6.465 -0.113 1.00 0.00 H +ATOM 2373 N SER A 155 23.894 -5.162 4.240 1.00 0.00 N +ATOM 2374 CA SER A 155 23.392 -4.928 5.583 1.00 0.00 C +ATOM 2375 C SER A 155 22.991 -3.460 5.743 1.00 0.00 C +ATOM 2376 O SER A 155 21.835 -3.156 6.033 1.00 0.00 O +ATOM 2377 CB SER A 155 24.434 -5.311 6.636 1.00 0.00 C +ATOM 2378 OG SER A 155 24.707 -6.710 6.632 1.00 0.00 O +ATOM 2379 H SER A 155 24.888 -5.108 4.145 1.00 0.00 H +ATOM 2380 HA SER A 155 22.521 -5.575 5.683 1.00 0.00 H +ATOM 2381 HB2 SER A 155 25.357 -4.761 6.449 1.00 0.00 H +ATOM 2382 HB3 SER A 155 24.080 -5.014 7.622 1.00 0.00 H +ATOM 2383 HG SER A 155 24.044 -7.189 7.207 1.00 0.00 H +ATOM 2384 N GLY A 156 23.970 -2.588 5.548 1.00 0.00 N +ATOM 2385 CA GLY A 156 23.734 -1.159 5.667 1.00 0.00 C +ATOM 2386 C GLY A 156 24.503 -0.573 6.852 1.00 0.00 C +ATOM 2387 O GLY A 156 24.320 0.592 7.201 1.00 0.00 O +ATOM 2388 H GLY A 156 24.908 -2.843 5.313 1.00 0.00 H +ATOM 2389 HA2 GLY A 156 24.039 -0.659 4.748 1.00 0.00 H +ATOM 2390 HA3 GLY A 156 22.668 -0.972 5.792 1.00 0.00 H +TER 2391 GLY A 156 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_P27_1JSUC_1JSUC/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_P27_1JSUC_1JSUC/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cfc51d73cea77287f02e5e443a976e1de740fbdc --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_P27_1JSUC_1JSUC/state_a.pdb @@ -0,0 +1,596 @@ +ATOM 1 N LYS C 25 13.831 -17.960 33.640 1.00 39.96 N +ATOM 2 CA LYS C 25 12.449 -18.039 34.189 1.00 41.49 C +ATOM 3 C LYS C 25 12.304 -17.582 35.654 1.00 42.77 C +ATOM 4 O LYS C 25 11.667 -18.280 36.453 1.00 48.57 O +ATOM 5 CB LYS C 25 11.914 -19.478 34.040 1.00 42.34 C +ATOM 6 CG LYS C 25 12.386 -20.517 35.091 1.00 41.32 C +ATOM 7 CD LYS C 25 13.881 -20.478 35.331 1.00 43.17 C +ATOM 8 CE LYS C 25 14.333 -21.589 36.256 1.00 46.62 C +ATOM 9 NZ LYS C 25 14.283 -22.925 35.606 1.00 47.73 N +ATOM 10 N PRO C 26 12.898 -16.433 36.046 1.00 33.89 N +ATOM 11 CA PRO C 26 13.725 -15.415 35.387 1.00 27.85 C +ATOM 12 C PRO C 26 15.123 -15.952 35.111 1.00 22.82 C +ATOM 13 O PRO C 26 15.414 -17.100 35.429 1.00 20.53 O +ATOM 14 CB PRO C 26 13.804 -14.313 36.444 1.00 29.95 C +ATOM 15 CG PRO C 26 12.625 -14.564 37.321 1.00 30.62 C +ATOM 16 CD PRO C 26 12.629 -16.028 37.437 1.00 31.96 C +ATOM 17 N SER C 27 15.986 -15.121 34.535 1.00 23.02 N +ATOM 18 CA SER C 27 17.351 -15.540 34.230 1.00 24.64 C +ATOM 19 C SER C 27 18.145 -15.801 35.497 1.00 26.19 C +ATOM 20 O SER C 27 19.129 -16.538 35.475 1.00 30.38 O +ATOM 21 CB SER C 27 18.069 -14.475 33.391 1.00 30.54 C +ATOM 22 OG SER C 27 18.021 -13.198 34.015 1.00 35.14 O +ATOM 23 N ALA C 28 17.752 -15.132 36.579 1.00 21.78 N +ATOM 24 CA ALA C 28 18.414 -15.274 37.864 1.00 17.94 C +ATOM 25 C ALA C 28 18.060 -16.611 38.518 1.00 19.92 C +ATOM 26 O ALA C 28 18.803 -17.120 39.361 1.00 19.42 O +ATOM 27 CB ALA C 28 18.022 -14.119 38.771 1.00 16.26 C +ATOM 28 N CYS C 29 16.926 -17.181 38.123 1.00 19.42 N +ATOM 29 CA CYS C 29 16.483 -18.450 38.686 1.00 21.70 C +ATOM 30 C CYS C 29 17.297 -19.607 38.095 1.00 24.33 C +ATOM 31 O CYS C 29 16.920 -20.154 37.053 1.00 26.24 O +ATOM 32 CB CYS C 29 14.995 -18.642 38.412 1.00 20.62 C +ATOM 33 SG CYS C 29 14.344 -20.107 39.165 1.00 22.26 S +ATOM 34 N ARG C 30 18.378 -19.994 38.785 1.00 24.80 N +ATOM 35 CA ARG C 30 19.287 -21.044 38.321 1.00 23.33 C +ATOM 36 C ARG C 30 19.974 -21.871 39.402 1.00 18.21 C +ATOM 37 O ARG C 30 20.353 -21.345 40.438 1.00 16.26 O +ATOM 38 CB ARG C 30 20.458 -20.412 37.551 1.00 28.26 C +ATOM 39 CG ARG C 30 20.138 -19.504 36.390 1.00 33.23 C +ATOM 40 CD ARG C 30 21.248 -18.474 36.218 1.00 36.69 C +ATOM 41 NE ARG C 30 22.570 -19.071 36.383 1.00 43.05 N +ATOM 42 CZ ARG C 30 23.691 -18.391 36.626 1.00 45.58 C +ATOM 43 NH1 ARG C 30 23.679 -17.064 36.740 1.00 43.04 N +ATOM 44 NH2 ARG C 30 24.839 -19.047 36.742 1.00 47.43 N +ATOM 45 N ASN C 31 20.224 -23.143 39.096 1.00 16.20 N +ATOM 46 CA ASN C 31 20.988 -24.039 39.969 1.00 18.17 C +ATOM 47 C ASN C 31 22.392 -23.860 39.367 1.00 23.00 C +ATOM 48 O ASN C 31 22.519 -23.627 38.165 1.00 27.59 O +ATOM 49 CB ASN C 31 20.554 -25.505 39.808 1.00 16.76 C +ATOM 50 CG ASN C 31 21.586 -26.501 40.378 1.00 17.86 C +ATOM 51 OD1 ASN C 31 22.465 -26.987 39.665 1.00 17.41 O +ATOM 52 ND2 ASN C 31 21.469 -26.808 41.658 1.00 18.56 N +ATOM 53 N LEU C 32 23.445 -23.931 40.167 1.00 19.38 N +ATOM 54 CA LEU C 32 24.763 -23.735 39.598 1.00 11.51 C +ATOM 55 C LEU C 32 25.603 -25.000 39.534 1.00 12.63 C +ATOM 56 O LEU C 32 26.195 -25.287 38.503 1.00 11.49 O +ATOM 57 CB LEU C 32 25.521 -22.658 40.371 1.00 8.17 C +ATOM 58 CG LEU C 32 24.937 -21.255 40.500 1.00 6.57 C +ATOM 59 CD1 LEU C 32 25.828 -20.433 41.434 1.00 4.42 C +ATOM 60 CD2 LEU C 32 24.830 -20.605 39.142 1.00 1.00 C +ATOM 61 N PHE C 33 25.668 -25.760 40.625 1.00 15.42 N +ATOM 62 CA PHE C 33 26.499 -26.963 40.627 1.00 11.45 C +ATOM 63 C PHE C 33 25.814 -28.286 40.891 1.00 11.08 C +ATOM 64 O PHE C 33 26.339 -29.130 41.605 1.00 10.77 O +ATOM 65 CB PHE C 33 27.719 -26.775 41.532 1.00 11.30 C +ATOM 66 CG PHE C 33 28.556 -25.586 41.155 1.00 11.62 C +ATOM 67 CD1 PHE C 33 29.324 -25.606 39.996 1.00 13.19 C +ATOM 68 CD2 PHE C 33 28.492 -24.412 41.893 1.00 10.10 C +ATOM 69 CE1 PHE C 33 30.004 -24.468 39.569 1.00 12.34 C +ATOM 70 CE2 PHE C 33 29.169 -23.262 41.476 1.00 10.10 C +ATOM 71 CZ PHE C 33 29.921 -23.291 40.310 1.00 11.81 C +ATOM 72 N GLY C 34 24.643 -28.463 40.290 1.00 15.76 N +ATOM 73 CA GLY C 34 23.926 -29.720 40.396 1.00 18.39 C +ATOM 74 C GLY C 34 23.001 -29.966 41.569 1.00 22.76 C +ATOM 75 O GLY C 34 22.895 -29.148 42.487 1.00 22.54 O +ATOM 76 N PRO C 35 22.287 -31.106 41.538 1.00 24.60 N +ATOM 77 CA PRO C 35 21.340 -31.544 42.562 1.00 24.63 C +ATOM 78 C PRO C 35 22.107 -31.886 43.825 1.00 28.60 C +ATOM 79 O PRO C 35 23.282 -32.284 43.777 1.00 27.30 O +ATOM 80 CB PRO C 35 20.718 -32.786 41.939 1.00 24.55 C +ATOM 81 CG PRO C 35 21.841 -33.349 41.152 1.00 24.43 C +ATOM 82 CD PRO C 35 22.403 -32.123 40.480 1.00 25.45 C +ATOM 83 N VAL C 36 21.420 -31.776 44.952 1.00 32.23 N +ATOM 84 CA VAL C 36 22.048 -32.021 46.224 1.00 31.19 C +ATOM 85 C VAL C 36 21.378 -33.182 46.967 1.00 35.42 C +ATOM 86 O VAL C 36 20.181 -33.453 46.790 1.00 33.79 O +ATOM 87 CB VAL C 36 22.066 -30.687 47.060 1.00 26.14 C +ATOM 88 CG1 VAL C 36 20.867 -30.593 48.003 1.00 21.80 C +ATOM 89 CG2 VAL C 36 23.386 -30.524 47.782 1.00 24.19 C +ATOM 90 N ASP C 37 22.193 -33.901 47.738 1.00 40.60 N +ATOM 91 CA ASP C 37 21.760 -35.028 48.564 1.00 40.38 C +ATOM 92 C ASP C 37 21.170 -34.378 49.824 1.00 33.29 C +ATOM 93 O ASP C 37 21.886 -34.118 50.792 1.00 29.12 O +ATOM 94 CB ASP C 37 22.987 -35.870 48.934 1.00 44.99 C +ATOM 95 CG ASP C 37 22.626 -37.237 49.490 1.00 50.22 C +ATOM 96 OD1 ASP C 37 21.612 -37.371 50.222 1.00 48.24 O +ATOM 97 OD2 ASP C 37 23.388 -38.182 49.186 1.00 53.36 O +ATOM 98 N HIS C 38 19.871 -34.104 49.791 1.00 32.19 N +ATOM 99 CA HIS C 38 19.199 -33.436 50.895 1.00 35.36 C +ATOM 100 C HIS C 38 19.359 -34.066 52.256 1.00 40.90 C +ATOM 101 O HIS C 38 19.566 -33.360 53.239 1.00 40.27 O +ATOM 102 CB HIS C 38 17.724 -33.201 50.580 1.00 34.02 C +ATOM 103 CG HIS C 38 17.487 -32.074 49.620 1.00 35.70 C +ATOM 104 ND1 HIS C 38 18.188 -30.887 49.673 1.00 39.05 N +ATOM 105 CD2 HIS C 38 16.638 -31.958 48.575 1.00 38.08 C +ATOM 106 CE1 HIS C 38 17.781 -30.090 48.702 1.00 40.22 C +ATOM 107 NE2 HIS C 38 16.841 -30.717 48.020 1.00 40.61 N +ATOM 108 N GLU C 39 19.323 -35.391 52.306 1.00 46.95 N +ATOM 109 CA GLU C 39 19.460 -36.105 53.570 1.00 51.60 C +ATOM 110 C GLU C 39 20.834 -35.869 54.203 1.00 51.11 C +ATOM 111 O GLU C 39 20.931 -35.468 55.364 1.00 50.01 O +ATOM 112 CB GLU C 39 19.190 -37.601 53.362 1.00 58.23 C +ATOM 113 CG GLU C 39 17.871 -37.915 52.613 1.00 64.64 C +ATOM 114 CD GLU C 39 16.605 -37.414 53.335 1.00 70.99 C +ATOM 115 OE1 GLU C 39 16.113 -38.113 54.253 1.00 75.29 O +ATOM 116 OE2 GLU C 39 16.088 -36.333 52.971 1.00 70.95 O +ATOM 117 N GLU C 40 21.893 -36.064 53.422 1.00 53.19 N +ATOM 118 CA GLU C 40 23.254 -35.867 53.912 1.00 55.35 C +ATOM 119 C GLU C 40 23.574 -34.388 54.111 1.00 49.21 C +ATOM 120 O GLU C 40 24.333 -34.035 55.008 1.00 48.29 O +ATOM 121 CB GLU C 40 24.265 -36.496 52.953 1.00 65.91 C +ATOM 122 CG GLU C 40 24.154 -38.020 52.833 1.00 75.14 C +ATOM 123 CD GLU C 40 25.097 -38.625 51.788 1.00 81.43 C +ATOM 124 OE1 GLU C 40 25.839 -37.868 51.113 1.00 83.74 O +ATOM 125 OE2 GLU C 40 25.082 -39.869 51.636 1.00 82.96 O +ATOM 126 N LEU C 41 23.001 -33.530 53.268 1.00 45.03 N +ATOM 127 CA LEU C 41 23.217 -32.088 53.364 1.00 41.89 C +ATOM 128 C LEU C 41 22.708 -31.566 54.707 1.00 43.55 C +ATOM 129 O LEU C 41 23.420 -30.843 55.403 1.00 44.70 O +ATOM 130 CB LEU C 41 22.509 -31.350 52.218 1.00 37.29 C +ATOM 131 CG LEU C 41 22.586 -29.821 52.276 1.00 33.30 C +ATOM 132 CD1 LEU C 41 24.022 -29.388 52.465 1.00 33.58 C +ATOM 133 CD2 LEU C 41 22.017 -29.201 51.026 1.00 31.74 C +ATOM 134 N THR C 42 21.471 -31.924 55.054 1.00 43.13 N +ATOM 135 CA THR C 42 20.863 -31.522 56.318 1.00 43.20 C +ATOM 136 C THR C 42 21.673 -32.057 57.487 1.00 42.96 C +ATOM 137 O THR C 42 21.875 -31.363 58.478 1.00 43.29 O +ATOM 138 CB THR C 42 19.440 -32.063 56.435 1.00 45.90 C +ATOM 139 OG1 THR C 42 18.614 -31.441 55.440 1.00 47.05 O +ATOM 140 CG2 THR C 42 18.876 -31.798 57.823 1.00 43.82 C +ATOM 141 N ARG C 43 22.142 -33.292 57.366 1.00 45.78 N +ATOM 142 CA ARG C 43 22.945 -33.908 58.413 1.00 49.88 C +ATOM 143 C ARG C 43 24.310 -33.236 58.599 1.00 49.58 C +ATOM 144 O ARG C 43 24.774 -33.086 59.730 1.00 54.33 O +ATOM 145 CB ARG C 43 23.084 -35.414 58.163 1.00 55.31 C +ATOM 146 CG ARG C 43 22.061 -36.265 58.928 1.00 58.99 C +ATOM 147 CD ARG C 43 20.643 -35.674 58.895 1.00 62.83 C +ATOM 148 NE ARG C 43 19.817 -36.187 57.800 1.00 65.40 N +ATOM 149 CZ ARG C 43 18.616 -35.709 57.476 1.00 67.23 C +ATOM 150 NH1 ARG C 43 18.090 -34.694 58.151 1.00 69.95 N +ATOM 151 NH2 ARG C 43 17.917 -36.273 56.501 1.00 66.01 N +ATOM 152 N ASP C 44 24.939 -32.811 57.506 1.00 47.09 N +ATOM 153 CA ASP C 44 26.231 -32.121 57.571 1.00 45.33 C +ATOM 154 C ASP C 44 26.063 -30.757 58.252 1.00 43.02 C +ATOM 155 O ASP C 44 26.918 -30.327 59.033 1.00 44.01 O +ATOM 156 CB ASP C 44 26.791 -31.917 56.165 1.00 49.82 C +ATOM 157 CG ASP C 44 27.984 -30.982 56.142 1.00 56.10 C +ATOM 158 OD1 ASP C 44 29.067 -31.398 56.607 1.00 58.07 O +ATOM 159 OD2 ASP C 44 27.837 -29.829 55.673 1.00 58.68 O +ATOM 160 N LEU C 45 24.981 -30.063 57.909 1.00 41.45 N +ATOM 161 CA LEU C 45 24.662 -28.755 58.480 1.00 38.68 C +ATOM 162 C LEU C 45 24.314 -28.849 59.983 1.00 44.34 C +ATOM 163 O LEU C 45 24.772 -28.018 60.781 1.00 40.80 O +ATOM 164 CB LEU C 45 23.525 -28.096 57.685 1.00 29.43 C +ATOM 165 CG LEU C 45 23.928 -27.666 56.269 1.00 24.85 C +ATOM 166 CD1 LEU C 45 22.717 -27.277 55.456 1.00 25.36 C +ATOM 167 CD2 LEU C 45 24.918 -26.520 56.336 1.00 21.83 C +ATOM 168 N GLU C 46 23.522 -29.860 60.359 1.00 49.68 N +ATOM 169 CA GLU C 46 23.147 -30.085 61.757 1.00 53.69 C +ATOM 170 C GLU C 46 24.429 -30.171 62.565 1.00 55.36 C +ATOM 171 O GLU C 46 24.583 -29.499 63.581 1.00 56.00 O +ATOM 172 CB GLU C 46 22.402 -31.407 61.926 1.00 58.00 C +ATOM 173 CG GLU C 46 21.030 -31.471 61.301 1.00 64.48 C +ATOM 174 CD GLU C 46 20.304 -32.789 61.570 1.00 69.64 C +ATOM 175 OE1 GLU C 46 20.755 -33.572 62.441 1.00 70.84 O +ATOM 176 OE2 GLU C 46 19.269 -33.040 60.908 1.00 71.64 O +ATOM 177 N LYS C 47 25.353 -31.000 62.098 1.00 57.59 N +ATOM 178 CA LYS C 47 26.627 -31.160 62.775 1.00 64.99 C +ATOM 179 C LYS C 47 27.356 -29.827 62.927 1.00 66.72 C +ATOM 180 O LYS C 47 27.657 -29.402 64.039 1.00 67.07 O +ATOM 181 CB LYS C 47 27.513 -32.176 62.031 1.00 72.12 C +ATOM 182 CG LYS C 47 29.036 -32.007 62.254 1.00 78.54 C +ATOM 183 CD LYS C 47 29.444 -32.026 63.747 1.00 82.99 C +ATOM 184 CE LYS C 47 30.782 -31.310 63.983 1.00 83.93 C +ATOM 185 NZ LYS C 47 31.108 -31.162 65.432 1.00 83.84 N +ATOM 186 N HIS C 48 27.634 -29.175 61.805 1.00 69.18 N +ATOM 187 CA HIS C 48 28.354 -27.908 61.816 1.00 70.48 C +ATOM 188 C HIS C 48 27.747 -26.888 62.753 1.00 73.17 C +ATOM 189 O HIS C 48 28.464 -26.156 63.434 1.00 74.27 O +ATOM 190 CB HIS C 48 28.438 -27.332 60.408 1.00 70.27 C +ATOM 191 CG HIS C 48 29.254 -28.162 59.472 1.00 71.50 C +ATOM 192 ND1 HIS C 48 29.356 -27.887 58.125 1.00 74.19 N +ATOM 193 CD2 HIS C 48 30.016 -29.260 59.692 1.00 70.73 C +ATOM 194 CE1 HIS C 48 30.147 -28.778 57.555 1.00 74.65 C +ATOM 195 NE2 HIS C 48 30.559 -29.624 58.484 1.00 72.61 N +ATOM 196 N CYS C 49 26.425 -26.852 62.806 1.00 76.24 N +ATOM 197 CA CYS C 49 25.745 -25.904 63.670 1.00 81.59 C +ATOM 198 C CYS C 49 25.907 -26.216 65.169 1.00 88.21 C +ATOM 199 O CYS C 49 25.738 -25.327 66.019 1.00 90.00 O +ATOM 200 CB CYS C 49 24.271 -25.786 63.262 1.00 79.00 C +ATOM 201 SG CYS C 49 24.026 -25.027 61.618 1.00 74.56 S +ATOM 202 N ARG C 50 26.283 -27.454 65.491 1.00 90.00 N +ATOM 203 CA ARG C 50 26.477 -27.870 66.880 1.00 89.74 C +ATOM 204 C ARG C 50 27.830 -27.439 67.448 1.00 90.00 C +ATOM 205 O ARG C 50 28.641 -28.277 67.841 1.00 90.00 O +ATOM 206 CB ARG C 50 26.325 -29.388 67.022 1.00 88.56 C +ATOM 207 CG ARG C 50 24.920 -29.907 66.793 1.00 88.74 C +ATOM 208 CD ARG C 50 24.831 -31.393 67.119 1.00 89.67 C +ATOM 209 NE ARG C 50 23.514 -31.947 66.804 1.00 90.00 N +ATOM 210 CZ ARG C 50 23.291 -32.857 65.857 1.00 90.00 C +ATOM 211 NH1 ARG C 50 24.301 -33.327 65.130 1.00 90.00 N +ATOM 212 NH2 ARG C 50 22.053 -33.277 65.616 1.00 90.00 N +ATOM 213 N ASP C 51 28.064 -26.131 67.507 1.00 90.00 N +ATOM 214 CA ASP C 51 29.316 -25.609 68.045 1.00 90.00 C +ATOM 215 C ASP C 51 29.056 -24.642 69.199 1.00 90.00 C +ATOM 216 O ASP C 51 29.686 -24.735 70.261 1.00 90.00 O +ATOM 217 CB ASP C 51 30.133 -24.906 66.947 1.00 90.00 C +ATOM 218 CG ASP C 51 31.560 -24.563 67.397 1.00 90.00 C +ATOM 219 OD1 ASP C 51 31.760 -23.506 68.039 1.00 90.00 O +ATOM 220 OD2 ASP C 51 32.488 -25.352 67.105 1.00 90.00 O +ATOM 221 N MET C 52 28.104 -23.736 69.003 1.00 90.00 N +ATOM 222 CA MET C 52 27.783 -22.746 70.021 1.00 90.00 C +ATOM 223 C MET C 52 27.162 -23.312 71.301 1.00 90.00 C +ATOM 224 O MET C 52 25.939 -23.328 71.469 1.00 90.00 O +ATOM 225 CB MET C 52 26.911 -21.632 69.439 1.00 90.00 C +ATOM 226 CG MET C 52 26.703 -20.463 70.396 1.00 90.00 C +ATOM 227 SD MET C 52 28.246 -19.823 71.123 1.00 90.00 S +ATOM 228 CE MET C 52 28.216 -20.585 72.771 1.00 89.63 C +ATOM 229 N GLU C 53 28.036 -23.755 72.201 1.00 90.00 N +ATOM 230 CA GLU C 53 27.671 -24.319 73.502 1.00 89.92 C +ATOM 231 C GLU C 53 28.911 -24.104 74.375 1.00 89.91 C +ATOM 232 O GLU C 53 28.912 -23.297 75.310 1.00 90.00 O +ATOM 233 CB GLU C 53 27.403 -25.837 73.396 1.00 90.00 C +ATOM 234 CG GLU C 53 26.216 -26.276 72.517 1.00 90.00 C +ATOM 235 CD GLU C 53 26.632 -26.867 71.161 1.00 90.00 C +ATOM 236 OE1 GLU C 53 27.309 -27.921 71.131 1.00 90.00 O +ATOM 237 OE2 GLU C 53 26.256 -26.283 70.121 1.00 90.00 O +ATOM 238 N GLU C 54 29.982 -24.777 73.952 1.00 89.36 N +ATOM 239 CA GLU C 54 31.323 -24.811 74.549 1.00 86.40 C +ATOM 240 C GLU C 54 31.772 -23.834 75.655 1.00 77.68 C +ATOM 241 O GLU C 54 31.401 -23.981 76.817 1.00 75.35 O +ATOM 242 CB GLU C 54 32.361 -24.831 73.408 1.00 89.85 C +ATOM 243 CG GLU C 54 33.786 -25.248 73.809 1.00 90.00 C +ATOM 244 CD GLU C 54 34.804 -25.088 72.677 1.00 90.00 C +ATOM 245 OE1 GLU C 54 34.416 -25.199 71.490 1.00 90.00 O +ATOM 246 OE2 GLU C 54 35.996 -24.851 72.978 1.00 89.81 O +ATOM 247 N ALA C 55 32.596 -22.860 75.286 1.00 72.84 N +ATOM 248 CA ALA C 55 33.155 -21.908 76.234 1.00 70.41 C +ATOM 249 C ALA C 55 32.212 -20.902 76.871 1.00 67.21 C +ATOM 250 O ALA C 55 32.509 -20.392 77.950 1.00 65.65 O +ATOM 251 CB ALA C 55 34.338 -21.188 75.610 1.00 71.50 C +ATOM 252 N SER C 56 31.108 -20.577 76.204 1.00 65.22 N +ATOM 253 CA SER C 56 30.157 -19.616 76.762 1.00 62.18 C +ATOM 254 C SER C 56 29.448 -20.213 77.968 1.00 59.94 C +ATOM 255 O SER C 56 29.309 -19.550 79.004 1.00 58.89 O +ATOM 256 CB SER C 56 29.156 -19.153 75.706 1.00 60.79 C +ATOM 257 OG SER C 56 29.820 -18.420 74.689 1.00 59.83 O +ATOM 258 N GLN C 57 29.031 -21.473 77.839 1.00 58.18 N +ATOM 259 CA GLN C 57 28.376 -22.183 78.933 1.00 56.62 C +ATOM 260 C GLN C 57 29.376 -22.228 80.084 1.00 54.04 C +ATOM 261 O GLN C 57 29.008 -22.144 81.253 1.00 53.19 O +ATOM 262 CB GLN C 57 28.013 -23.604 78.505 1.00 57.65 C +ATOM 263 CG GLN C 57 27.513 -24.475 79.639 1.00 60.59 C +ATOM 264 CD GLN C 57 27.164 -25.878 79.194 1.00 64.78 C +ATOM 265 OE1 GLN C 57 27.943 -26.816 79.372 1.00 65.38 O +ATOM 266 NE2 GLN C 57 25.974 -26.035 78.637 1.00 67.77 N +ATOM 267 N ARG C 58 30.649 -22.309 79.720 1.00 54.17 N +ATOM 268 CA ARG C 58 31.753 -22.349 80.665 1.00 56.41 C +ATOM 269 C ARG C 58 31.920 -21.025 81.420 1.00 52.12 C +ATOM 270 O ARG C 58 31.915 -20.996 82.651 1.00 53.42 O +ATOM 271 CB ARG C 58 33.044 -22.685 79.911 1.00 64.30 C +ATOM 272 CG ARG C 58 34.287 -22.653 80.763 1.00 72.57 C +ATOM 273 CD ARG C 58 35.554 -22.629 79.921 1.00 80.13 C +ATOM 274 NE ARG C 58 36.749 -22.602 80.768 1.00 86.79 N +ATOM 275 CZ ARG C 58 37.123 -21.565 81.519 1.00 90.00 C +ATOM 276 NH1 ARG C 58 36.401 -20.446 81.532 1.00 90.00 N +ATOM 277 NH2 ARG C 58 38.205 -21.660 82.288 1.00 90.00 N +ATOM 278 N LYS C 59 32.041 -19.930 80.674 1.00 49.42 N +ATOM 279 CA LYS C 59 32.232 -18.602 81.254 1.00 44.64 C +ATOM 280 C LYS C 59 31.106 -18.113 82.152 1.00 37.34 C +ATOM 281 O LYS C 59 31.353 -17.554 83.210 1.00 35.38 O +ATOM 282 CB LYS C 59 32.456 -17.551 80.163 1.00 47.77 C +ATOM 283 CG LYS C 59 32.677 -16.165 80.751 1.00 51.61 C +ATOM 284 CD LYS C 59 32.552 -15.050 79.745 1.00 54.94 C +ATOM 285 CE LYS C 59 32.781 -13.709 80.439 1.00 59.06 C +ATOM 286 NZ LYS C 59 32.649 -12.562 79.494 1.00 63.29 N +ATOM 287 N TRP C 60 29.871 -18.292 81.709 1.00 35.74 N +ATOM 288 CA TRP C 60 28.723 -17.827 82.475 1.00 36.70 C +ATOM 289 C TRP C 60 28.093 -18.879 83.363 1.00 39.72 C +ATOM 290 O TRP C 60 27.095 -18.600 84.012 1.00 40.46 O +ATOM 291 CB TRP C 60 27.646 -17.316 81.519 1.00 35.06 C +ATOM 292 CG TRP C 60 28.175 -16.409 80.488 1.00 33.07 C +ATOM 293 CD1 TRP C 60 28.436 -16.722 79.192 1.00 31.52 C +ATOM 294 CD2 TRP C 60 28.529 -15.027 80.655 1.00 30.40 C +ATOM 295 NE1 TRP C 60 28.932 -15.623 78.539 1.00 31.24 N +ATOM 296 CE2 TRP C 60 28.997 -14.567 79.410 1.00 29.34 C +ATOM 297 CE3 TRP C 60 28.493 -14.135 81.734 1.00 28.55 C +ATOM 298 CZ2 TRP C 60 29.427 -13.249 79.207 1.00 28.87 C +ATOM 299 CZ3 TRP C 60 28.923 -12.823 81.534 1.00 28.80 C +ATOM 300 CH2 TRP C 60 29.384 -12.396 80.276 1.00 29.97 C +ATOM 301 N ASN C 61 28.682 -20.070 83.412 1.00 43.17 N +ATOM 302 CA ASN C 61 28.134 -21.192 84.178 1.00 42.16 C +ATOM 303 C ASN C 61 26.611 -21.328 84.028 1.00 40.76 C +ATOM 304 O ASN C 61 25.879 -21.507 85.006 1.00 42.62 O +ATOM 305 CB ASN C 61 28.608 -21.218 85.653 1.00 41.40 C +ATOM 306 CG ASN C 61 28.136 -20.020 86.483 1.00 39.91 C +ATOM 307 OD1 ASN C 61 28.888 -19.066 86.692 1.00 39.11 O +ATOM 308 ND2 ASN C 61 26.936 -20.117 87.046 1.00 39.04 N +ATOM 309 N PHE C 62 26.159 -21.268 82.773 1.00 34.39 N +ATOM 310 CA PHE C 62 24.747 -21.393 82.423 1.00 29.14 C +ATOM 311 C PHE C 62 24.695 -22.338 81.217 1.00 33.24 C +ATOM 312 O PHE C 62 25.538 -22.266 80.324 1.00 37.12 O +ATOM 313 CB PHE C 62 24.166 -20.014 82.061 1.00 23.81 C +ATOM 314 CG PHE C 62 22.651 -19.984 81.922 1.00 21.27 C +ATOM 315 CD1 PHE C 62 22.033 -20.289 80.711 1.00 19.92 C +ATOM 316 CD2 PHE C 62 21.849 -19.622 82.995 1.00 19.86 C +ATOM 317 CE1 PHE C 62 20.646 -20.231 80.578 1.00 19.33 C +ATOM 318 CE2 PHE C 62 20.460 -19.562 82.867 1.00 18.07 C +ATOM 319 CZ PHE C 62 19.860 -19.866 81.662 1.00 18.83 C +ATOM 320 N ASP C 63 23.730 -23.248 81.221 1.00 35.07 N +ATOM 321 CA ASP C 63 23.536 -24.230 80.152 1.00 38.11 C +ATOM 322 C ASP C 63 22.519 -23.646 79.185 1.00 39.18 C +ATOM 323 O ASP C 63 21.312 -23.902 79.308 1.00 37.53 O +ATOM 324 CB ASP C 63 22.990 -25.536 80.759 1.00 42.63 C +ATOM 325 CG ASP C 63 22.769 -26.648 79.735 1.00 45.22 C +ATOM 326 OD1 ASP C 63 22.618 -26.369 78.524 1.00 44.40 O +ATOM 327 OD2 ASP C 63 22.711 -27.821 80.171 1.00 45.02 O +ATOM 328 N PHE C 64 23.014 -22.923 78.186 1.00 38.16 N +ATOM 329 CA PHE C 64 22.153 -22.284 77.197 1.00 31.68 C +ATOM 330 C PHE C 64 21.319 -23.292 76.415 1.00 34.46 C +ATOM 331 O PHE C 64 20.224 -22.977 75.957 1.00 30.63 O +ATOM 332 CB PHE C 64 22.987 -21.395 76.270 1.00 25.54 C +ATOM 333 CG PHE C 64 23.756 -20.317 77.000 1.00 24.62 C +ATOM 334 CD1 PHE C 64 23.152 -19.102 77.315 1.00 22.17 C +ATOM 335 CD2 PHE C 64 25.062 -20.543 77.435 1.00 25.29 C +ATOM 336 CE1 PHE C 64 23.835 -18.137 78.057 1.00 21.60 C +ATOM 337 CE2 PHE C 64 25.752 -19.575 78.181 1.00 24.74 C +ATOM 338 CZ PHE C 64 25.134 -18.374 78.492 1.00 21.39 C +ATOM 339 N GLN C 65 21.807 -24.520 76.306 1.00 40.92 N +ATOM 340 CA GLN C 65 21.054 -25.536 75.584 1.00 48.89 C +ATOM 341 C GLN C 65 19.753 -25.769 76.328 1.00 48.95 C +ATOM 342 O GLN C 65 18.659 -25.575 75.801 1.00 46.81 O +ATOM 343 CB GLN C 65 21.804 -26.866 75.548 1.00 55.61 C +ATOM 344 CG GLN C 65 23.262 -26.789 75.193 1.00 62.92 C +ATOM 345 CD GLN C 65 24.090 -27.744 76.033 1.00 68.96 C +ATOM 346 OE1 GLN C 65 25.213 -27.426 76.430 1.00 68.61 O +ATOM 347 NE2 GLN C 65 23.526 -28.906 76.341 1.00 72.09 N +ATOM 348 N ASN C 66 19.891 -26.157 77.584 1.00 52.03 N +ATOM 349 CA ASN C 66 18.742 -26.465 78.408 1.00 56.30 C +ATOM 350 C ASN C 66 18.178 -25.290 79.190 1.00 55.78 C +ATOM 351 O ASN C 66 17.171 -25.438 79.887 1.00 57.48 O +ATOM 352 CB ASN C 66 19.102 -27.612 79.342 1.00 60.39 C +ATOM 353 CG ASN C 66 19.729 -28.767 78.600 1.00 64.39 C +ATOM 354 OD1 ASN C 66 20.949 -28.837 78.461 1.00 64.51 O +ATOM 355 ND2 ASN C 66 18.895 -29.643 78.054 1.00 67.17 N +ATOM 356 N HIS C 67 18.799 -24.121 79.044 1.00 52.82 N +ATOM 357 CA HIS C 67 18.365 -22.914 79.751 1.00 49.18 C +ATOM 358 C HIS C 67 18.323 -23.220 81.247 1.00 46.51 C +ATOM 359 O HIS C 67 17.311 -23.006 81.921 1.00 47.58 O +ATOM 360 CB HIS C 67 16.987 -22.462 79.255 1.00 46.94 C +ATOM 361 CG HIS C 67 16.597 -21.096 79.720 1.00 48.99 C +ATOM 362 ND1 HIS C 67 17.410 -19.996 79.552 1.00 51.87 N +ATOM 363 CD2 HIS C 67 15.475 -20.644 80.329 1.00 49.36 C +ATOM 364 CE1 HIS C 67 16.805 -18.925 80.037 1.00 52.97 C +ATOM 365 NE2 HIS C 67 15.630 -19.291 80.514 1.00 51.58 N +ATOM 366 N LYS C 68 19.429 -23.764 81.742 1.00 42.78 N +ATOM 367 CA LYS C 68 19.556 -24.125 83.141 1.00 45.17 C +ATOM 368 C LYS C 68 20.872 -23.630 83.697 1.00 42.42 C +ATOM 369 O LYS C 68 21.935 -24.024 83.220 1.00 46.44 O +ATOM 370 CB LYS C 68 19.505 -25.645 83.315 1.00 50.84 C +ATOM 371 CG LYS C 68 18.110 -26.241 83.360 1.00 56.99 C +ATOM 372 CD LYS C 68 18.122 -27.520 84.178 1.00 61.17 C +ATOM 373 CE LYS C 68 18.540 -27.242 85.626 1.00 64.87 C +ATOM 374 NZ LYS C 68 18.737 -28.489 86.421 1.00 67.32 N +ATOM 375 N PRO C 69 20.824 -22.748 84.703 1.00 36.05 N +ATOM 376 CA PRO C 69 22.042 -22.215 85.316 1.00 36.05 C +ATOM 377 C PRO C 69 22.819 -23.382 85.923 1.00 41.34 C +ATOM 378 O PRO C 69 22.254 -24.470 86.097 1.00 43.74 O +ATOM 379 CB PRO C 69 21.494 -21.280 86.393 1.00 34.80 C +ATOM 380 CG PRO C 69 20.165 -21.888 86.742 1.00 32.81 C +ATOM 381 CD PRO C 69 19.621 -22.259 85.395 1.00 32.92 C +ATOM 382 N LEU C 70 24.089 -23.169 86.264 1.00 42.62 N +ATOM 383 CA LEU C 70 24.890 -24.249 86.828 1.00 47.28 C +ATOM 384 C LEU C 70 26.202 -23.804 87.472 1.00 54.03 C +ATOM 385 O LEU C 70 26.353 -22.633 87.829 1.00 54.90 O +ATOM 386 CB LEU C 70 25.147 -25.321 85.751 1.00 46.93 C +ATOM 387 CG LEU C 70 25.617 -24.909 84.350 1.00 44.62 C +ATOM 388 CD1 LEU C 70 27.116 -25.155 84.159 1.00 44.05 C +ATOM 389 CD2 LEU C 70 24.842 -25.708 83.350 1.00 41.66 C +ATOM 390 N GLU C 71 27.121 -24.761 87.642 1.00 58.93 N +ATOM 391 CA GLU C 71 28.446 -24.546 88.233 1.00 62.76 C +ATOM 392 C GLU C 71 28.443 -23.483 89.329 1.00 58.67 C +ATOM 393 O GLU C 71 27.920 -23.727 90.415 1.00 60.69 O +ATOM 394 CB GLU C 71 29.497 -24.263 87.130 1.00 70.28 C +ATOM 395 CG GLU C 71 30.912 -23.761 87.576 1.00 75.77 C +ATOM 396 CD GLU C 71 31.763 -24.781 88.349 1.00 80.49 C +ATOM 397 OE1 GLU C 71 31.667 -26.003 88.077 1.00 82.31 O +ATOM 398 OE2 GLU C 71 32.558 -24.344 89.218 1.00 81.13 O +ATOM 399 N GLY C 72 28.988 -22.307 89.034 1.00 53.53 N +ATOM 400 CA GLY C 72 29.043 -21.248 90.015 1.00 50.88 C +ATOM 401 C GLY C 72 30.143 -20.272 89.675 1.00 51.12 C +ATOM 402 O GLY C 72 31.123 -20.642 89.025 1.00 51.84 O +ATOM 403 N LYS C 73 29.931 -19.032 90.115 1.00 51.70 N +ATOM 404 CA LYS C 73 30.788 -17.837 89.957 1.00 51.25 C +ATOM 405 C LYS C 73 29.838 -16.714 89.534 1.00 44.37 C +ATOM 406 O LYS C 73 30.054 -15.547 89.836 1.00 44.18 O +ATOM 407 CB LYS C 73 31.938 -18.002 88.945 1.00 55.56 C +ATOM 408 CG LYS C 73 31.551 -17.990 87.468 1.00 57.04 C +ATOM 409 CD LYS C 73 32.759 -17.741 86.575 1.00 56.04 C +ATOM 410 CE LYS C 73 33.229 -16.287 86.646 1.00 54.82 C +ATOM 411 NZ LYS C 73 33.738 -15.869 87.984 1.00 54.41 N +ATOM 412 N TYR C 74 28.796 -17.096 88.807 1.00 39.20 N +ATOM 413 CA TYR C 74 27.758 -16.185 88.382 1.00 39.12 C +ATOM 414 C TYR C 74 26.548 -16.706 89.128 1.00 40.22 C +ATOM 415 O TYR C 74 26.112 -17.828 88.881 1.00 42.77 O +ATOM 416 CB TYR C 74 27.519 -16.275 86.868 1.00 38.11 C +ATOM 417 CG TYR C 74 28.408 -15.363 86.064 1.00 36.20 C +ATOM 418 CD1 TYR C 74 28.137 -14.002 85.981 1.00 37.38 C +ATOM 419 CD2 TYR C 74 29.551 -15.845 85.441 1.00 35.37 C +ATOM 420 CE1 TYR C 74 28.987 -13.143 85.305 1.00 38.01 C +ATOM 421 CE2 TYR C 74 30.413 -14.993 84.761 1.00 35.62 C +ATOM 422 CZ TYR C 74 30.129 -13.645 84.700 1.00 36.84 C +ATOM 423 OH TYR C 74 30.994 -12.791 84.059 1.00 36.59 O +ATOM 424 N GLU C 75 26.076 -15.943 90.108 1.00 41.62 N +ATOM 425 CA GLU C 75 24.912 -16.320 90.909 1.00 46.11 C +ATOM 426 C GLU C 75 23.600 -16.026 90.190 1.00 40.29 C +ATOM 427 O GLU C 75 22.935 -15.021 90.476 1.00 39.57 O +ATOM 428 CB GLU C 75 24.924 -15.587 92.253 1.00 58.18 C +ATOM 429 CG GLU C 75 26.084 -15.952 93.165 1.00 68.91 C +ATOM 430 CD GLU C 75 26.042 -15.198 94.486 1.00 78.50 C +ATOM 431 OE1 GLU C 75 26.473 -14.017 94.517 1.00 81.77 O +ATOM 432 OE2 GLU C 75 25.571 -15.788 95.490 1.00 81.18 O +ATOM 433 N TRP C 76 23.238 -16.907 89.263 1.00 34.71 N +ATOM 434 CA TRP C 76 22.016 -16.776 88.484 1.00 31.35 C +ATOM 435 C TRP C 76 20.779 -16.777 89.338 1.00 33.31 C +ATOM 436 O TRP C 76 20.568 -17.682 90.133 1.00 39.11 O +ATOM 437 CB TRP C 76 21.910 -17.907 87.468 1.00 32.06 C +ATOM 438 CG TRP C 76 22.875 -17.762 86.364 1.00 35.12 C +ATOM 439 CD1 TRP C 76 24.055 -18.422 86.214 1.00 35.18 C +ATOM 440 CD2 TRP C 76 22.781 -16.841 85.273 1.00 37.10 C +ATOM 441 NE1 TRP C 76 24.708 -17.964 85.104 1.00 36.38 N +ATOM 442 CE2 TRP C 76 23.949 -16.993 84.503 1.00 37.76 C +ATOM 443 CE3 TRP C 76 21.824 -15.897 84.875 1.00 37.37 C +ATOM 444 CZ2 TRP C 76 24.188 -16.238 83.356 1.00 37.71 C +ATOM 445 CZ3 TRP C 76 22.061 -15.147 83.739 1.00 37.48 C +ATOM 446 CH2 TRP C 76 23.234 -15.322 82.992 1.00 38.97 C +ATOM 447 N GLN C 77 19.928 -15.792 89.114 1.00 33.21 N +ATOM 448 CA GLN C 77 18.683 -15.648 89.846 1.00 34.43 C +ATOM 449 C GLN C 77 17.638 -15.151 88.850 1.00 32.75 C +ATOM 450 O GLN C 77 17.893 -14.237 88.065 1.00 32.89 O +ATOM 451 CB GLN C 77 18.857 -14.623 90.973 1.00 39.83 C +ATOM 452 CG GLN C 77 19.351 -13.257 90.473 1.00 49.92 C +ATOM 453 CD GLN C 77 19.658 -12.260 91.586 1.00 59.92 C +ATOM 454 OE1 GLN C 77 20.495 -11.359 91.420 1.00 60.52 O +ATOM 455 NE2 GLN C 77 18.973 -12.401 92.719 1.00 64.63 N +ATOM 456 N GLU C 78 16.487 -15.797 88.827 1.00 29.74 N +ATOM 457 CA GLU C 78 15.428 -15.370 87.937 1.00 31.27 C +ATOM 458 C GLU C 78 14.629 -14.267 88.616 1.00 33.68 C +ATOM 459 O GLU C 78 14.027 -14.494 89.666 1.00 36.21 O +ATOM 460 CB GLU C 78 14.529 -16.542 87.604 1.00 33.72 C +ATOM 461 CG GLU C 78 15.003 -17.325 86.415 1.00 40.92 C +ATOM 462 CD GLU C 78 13.925 -18.213 85.833 1.00 48.93 C +ATOM 463 OE1 GLU C 78 13.000 -18.598 86.586 1.00 50.99 O +ATOM 464 OE2 GLU C 78 14.000 -18.521 84.618 1.00 52.96 O +ATOM 465 N VAL C 79 14.659 -13.062 88.057 1.00 34.32 N +ATOM 466 CA VAL C 79 13.921 -11.950 88.644 1.00 35.89 C +ATOM 467 C VAL C 79 12.660 -11.616 87.853 1.00 40.75 C +ATOM 468 O VAL C 79 12.592 -11.839 86.641 1.00 41.49 O +ATOM 469 CB VAL C 79 14.790 -10.684 88.791 1.00 35.21 C +ATOM 470 CG1 VAL C 79 16.068 -11.017 89.548 1.00 36.27 C +ATOM 471 CG2 VAL C 79 15.099 -10.081 87.437 1.00 33.59 C +ATOM 472 N GLU C 80 11.642 -11.118 88.547 1.00 41.87 N +ATOM 473 CA GLU C 80 10.398 -10.760 87.884 1.00 40.89 C +ATOM 474 C GLU C 80 10.576 -9.517 87.008 1.00 33.64 C +ATOM 475 O GLU C 80 11.222 -8.545 87.397 1.00 27.46 O +ATOM 476 CB GLU C 80 9.262 -10.588 88.898 1.00 47.35 C +ATOM 477 CG GLU C 80 9.686 -10.031 90.251 1.00 52.46 C +ATOM 478 CD GLU C 80 8.510 -9.798 91.179 1.00 58.66 C +ATOM 479 OE1 GLU C 80 7.485 -10.505 91.049 1.00 61.10 O +ATOM 480 OE2 GLU C 80 8.613 -8.899 92.040 1.00 61.39 O +ATOM 481 N LYS C 81 9.994 -9.572 85.817 1.00 33.63 N +ATOM 482 CA LYS C 81 10.087 -8.501 84.839 1.00 31.28 C +ATOM 483 C LYS C 81 9.818 -7.073 85.314 1.00 31.97 C +ATOM 484 O LYS C 81 10.327 -6.111 84.733 1.00 32.03 O +ATOM 485 CB LYS C 81 9.252 -8.870 83.618 1.00 28.15 C +ATOM 486 CG LYS C 81 9.892 -10.032 82.878 1.00 27.42 C +ATOM 487 CD LYS C 81 9.198 -10.425 81.587 1.00 23.65 C +ATOM 488 CE LYS C 81 10.033 -11.481 80.868 1.00 19.95 C +ATOM 489 NZ LYS C 81 9.507 -11.750 79.525 1.00 18.76 N +ATOM 490 N GLY C 82 9.060 -6.925 86.391 1.00 32.74 N +ATOM 491 CA GLY C 82 8.790 -5.592 86.891 1.00 31.03 C +ATOM 492 C GLY C 82 9.954 -4.995 87.667 1.00 30.17 C +ATOM 493 O GLY C 82 9.998 -3.780 87.842 1.00 33.59 O +ATOM 494 N SER C 83 10.894 -5.828 88.120 1.00 25.55 N +ATOM 495 CA SER C 83 12.043 -5.369 88.900 1.00 25.80 C +ATOM 496 C SER C 83 13.225 -4.753 88.124 1.00 28.41 C +ATOM 497 O SER C 83 14.037 -4.026 88.699 1.00 29.37 O +ATOM 498 CB SER C 83 12.543 -6.499 89.797 1.00 25.71 C +ATOM 499 OG SER C 83 13.004 -7.594 89.029 1.00 28.16 O +ATOM 500 N LEU C 84 13.344 -5.057 86.837 1.00 27.59 N +ATOM 501 CA LEU C 84 14.425 -4.503 86.022 1.00 22.06 C +ATOM 502 C LEU C 84 13.856 -3.767 84.803 1.00 22.80 C +ATOM 503 O LEU C 84 12.656 -3.865 84.531 1.00 23.10 O +ATOM 504 CB LEU C 84 15.386 -5.609 85.592 1.00 20.77 C +ATOM 505 CG LEU C 84 14.866 -6.987 85.187 1.00 21.21 C +ATOM 506 CD1 LEU C 84 13.807 -6.896 84.105 1.00 21.82 C +ATOM 507 CD2 LEU C 84 16.058 -7.837 84.746 1.00 20.52 C +ATOM 508 N PRO C 85 14.695 -2.989 84.080 1.00 18.55 N +ATOM 509 CA PRO C 85 14.240 -2.253 82.901 1.00 16.49 C +ATOM 510 C PRO C 85 13.572 -3.165 81.868 1.00 17.85 C +ATOM 511 O PRO C 85 14.083 -4.246 81.549 1.00 16.89 O +ATOM 512 CB PRO C 85 15.540 -1.683 82.366 1.00 14.97 C +ATOM 513 CG PRO C 85 16.299 -1.418 83.607 1.00 11.82 C +ATOM 514 CD PRO C 85 16.122 -2.711 84.313 1.00 13.94 C +ATOM 515 N GLU C 86 12.465 -2.695 81.305 1.00 19.39 N +ATOM 516 CA GLU C 86 11.721 -3.474 80.332 1.00 23.58 C +ATOM 517 C GLU C 86 12.539 -3.871 79.104 1.00 24.28 C +ATOM 518 O GLU C 86 12.250 -4.893 78.471 1.00 24.81 O +ATOM 519 CB GLU C 86 10.437 -2.746 79.925 1.00 30.63 C +ATOM 520 CG GLU C 86 10.654 -1.454 79.151 1.00 38.87 C +ATOM 521 CD GLU C 86 10.172 -1.534 77.703 1.00 43.98 C +ATOM 522 OE1 GLU C 86 9.908 -2.657 77.203 1.00 47.06 O +ATOM 523 OE2 GLU C 86 10.057 -0.462 77.065 1.00 44.19 O +ATOM 524 N PHE C 87 13.562 -3.083 78.771 1.00 20.35 N +ATOM 525 CA PHE C 87 14.401 -3.407 77.633 1.00 17.48 C +ATOM 526 C PHE C 87 14.849 -4.858 77.683 1.00 19.70 C +ATOM 527 O PHE C 87 14.768 -5.565 76.679 1.00 24.04 O +ATOM 528 CB PHE C 87 15.653 -2.523 77.577 1.00 20.80 C +ATOM 529 CG PHE C 87 16.732 -3.070 76.664 1.00 19.87 C +ATOM 530 CD1 PHE C 87 16.562 -3.066 75.285 1.00 16.75 C +ATOM 531 CD2 PHE C 87 17.867 -3.673 77.189 1.00 21.78 C +ATOM 532 CE1 PHE C 87 17.496 -3.660 74.442 1.00 14.50 C +ATOM 533 CE2 PHE C 87 18.802 -4.267 76.354 1.00 21.86 C +ATOM 534 CZ PHE C 87 18.607 -4.259 74.971 1.00 18.05 C +ATOM 535 N TYR C 88 15.251 -5.307 78.872 1.00 18.31 N +ATOM 536 CA TYR C 88 15.775 -6.656 79.066 1.00 16.82 C +ATOM 537 C TYR C 88 14.872 -7.817 78.718 1.00 20.58 C +ATOM 538 O TYR C 88 15.349 -8.942 78.574 1.00 22.41 O +ATOM 539 CB TYR C 88 16.338 -6.813 80.475 1.00 16.20 C +ATOM 540 CG TYR C 88 17.536 -5.923 80.740 1.00 16.28 C +ATOM 541 CD1 TYR C 88 18.757 -6.168 80.100 1.00 16.42 C +ATOM 542 CD2 TYR C 88 17.451 -4.838 81.628 1.00 12.46 C +ATOM 543 CE1 TYR C 88 19.862 -5.360 80.334 1.00 15.48 C +ATOM 544 CE2 TYR C 88 18.547 -4.024 81.873 1.00 12.57 C +ATOM 545 CZ TYR C 88 19.752 -4.294 81.220 1.00 13.45 C +ATOM 546 OH TYR C 88 20.860 -3.519 81.456 1.00 11.60 O +ATOM 547 N TYR C 89 13.576 -7.565 78.587 1.00 22.26 N +ATOM 548 CA TYR C 89 12.652 -8.632 78.218 1.00 26.54 C +ATOM 549 C TYR C 89 11.821 -8.258 77.001 1.00 27.49 C +ATOM 550 O TYR C 89 10.960 -9.013 76.562 1.00 29.42 O +ATOM 551 CB TYR C 89 11.752 -9.044 79.394 1.00 28.60 C +ATOM 552 CG TYR C 89 11.074 -7.913 80.125 1.00 28.68 C +ATOM 553 CD1 TYR C 89 9.842 -7.422 79.706 1.00 27.36 C +ATOM 554 CD2 TYR C 89 11.661 -7.343 81.254 1.00 32.38 C +ATOM 555 CE1 TYR C 89 9.204 -6.383 80.397 1.00 30.27 C +ATOM 556 CE2 TYR C 89 11.037 -6.306 81.951 1.00 33.80 C +ATOM 557 CZ TYR C 89 9.807 -5.829 81.523 1.00 33.28 C +ATOM 558 OH TYR C 89 9.180 -4.822 82.235 1.00 32.37 O +ATOM 559 N ARG C 90 12.133 -7.107 76.425 1.00 28.24 N +ATOM 560 CA ARG C 90 11.432 -6.599 75.258 1.00 27.08 C +ATOM 561 C ARG C 90 11.775 -7.450 74.021 1.00 35.00 C +ATOM 562 O ARG C 90 12.946 -7.634 73.688 1.00 36.41 O +ATOM 563 CB ARG C 90 11.851 -5.150 75.051 1.00 20.93 C +ATOM 564 CG ARG C 90 11.012 -4.367 74.101 1.00 23.50 C +ATOM 565 CD ARG C 90 11.735 -3.069 73.739 1.00 26.74 C +ATOM 566 NE ARG C 90 11.772 -2.071 74.817 1.00 27.01 N +ATOM 567 CZ ARG C 90 12.788 -1.240 75.040 1.00 28.01 C +ATOM 568 NH1 ARG C 90 13.872 -1.290 74.284 1.00 32.01 N +ATOM 569 NH2 ARG C 90 12.693 -0.302 75.967 1.00 26.14 N +ATOM 570 N PRO C 91 10.755 -8.007 73.343 1.00 41.77 N +ATOM 571 CA PRO C 91 10.957 -8.836 72.150 1.00 44.17 C +ATOM 572 C PRO C 91 11.214 -7.982 70.916 1.00 49.11 C +ATOM 573 O PRO C 91 10.839 -6.805 70.878 1.00 47.32 O +ATOM 574 CB PRO C 91 9.620 -9.553 72.020 1.00 43.14 C +ATOM 575 CG PRO C 91 8.649 -8.480 72.420 1.00 43.03 C +ATOM 576 CD PRO C 91 9.317 -7.898 73.664 1.00 43.86 C +ATOM 577 N PRO C 92 11.827 -8.574 69.872 1.00 55.93 N +ATOM 578 CA PRO C 92 12.111 -7.828 68.643 1.00 58.17 C +ATOM 579 C PRO C 92 10.822 -7.417 67.963 1.00 64.61 C +ATOM 580 O PRO C 92 9.752 -7.942 68.284 1.00 64.18 O +ATOM 581 CB PRO C 92 12.883 -8.842 67.803 1.00 55.28 C +ATOM 582 CG PRO C 92 12.298 -10.137 68.224 1.00 55.03 C +ATOM 583 CD PRO C 92 12.244 -9.980 69.727 1.00 56.25 C +ATOM 584 N ARG C 93 10.925 -6.429 67.082 1.00 73.81 N +ATOM 585 CA ARG C 93 9.774 -5.939 66.334 1.00 81.19 C +ATOM 586 C ARG C 93 9.554 -6.825 65.106 1.00 83.50 C +ATOM 587 O ARG C 93 8.404 -6.853 64.594 1.00 85.90 O +ATOM 588 CB ARG C 93 10.001 -4.490 65.891 1.00 84.88 C +ATOM 589 CG ARG C 93 10.041 -3.479 67.018 1.00 87.61 C +ATOM 590 CD ARG C 93 10.036 -2.094 66.418 1.00 89.78 C +ATOM 591 NE ARG C 93 10.029 -1.040 67.429 1.00 90.00 N +ATOM 592 CZ ARG C 93 10.185 0.254 67.162 1.00 90.00 C +ATOM 593 NH1 ARG C 93 10.367 0.662 65.916 1.00 90.00 N +ATOM 594 NH2 ARG C 93 10.223 1.140 68.154 1.00 90.00 N +TER 595 ARG C 93 +END diff --git a/bench/main_benchmark/structures/SFB_ID_P27_1JSUC_1JSUC/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_P27_1JSUC_1JSUC/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..cfc51d73cea77287f02e5e443a976e1de740fbdc --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_P27_1JSUC_1JSUC/state_b.pdb @@ -0,0 +1,596 @@ +ATOM 1 N LYS C 25 13.831 -17.960 33.640 1.00 39.96 N +ATOM 2 CA LYS C 25 12.449 -18.039 34.189 1.00 41.49 C +ATOM 3 C LYS C 25 12.304 -17.582 35.654 1.00 42.77 C +ATOM 4 O LYS C 25 11.667 -18.280 36.453 1.00 48.57 O +ATOM 5 CB LYS C 25 11.914 -19.478 34.040 1.00 42.34 C +ATOM 6 CG LYS C 25 12.386 -20.517 35.091 1.00 41.32 C +ATOM 7 CD LYS C 25 13.881 -20.478 35.331 1.00 43.17 C +ATOM 8 CE LYS C 25 14.333 -21.589 36.256 1.00 46.62 C +ATOM 9 NZ LYS C 25 14.283 -22.925 35.606 1.00 47.73 N +ATOM 10 N PRO C 26 12.898 -16.433 36.046 1.00 33.89 N +ATOM 11 CA PRO C 26 13.725 -15.415 35.387 1.00 27.85 C +ATOM 12 C PRO C 26 15.123 -15.952 35.111 1.00 22.82 C +ATOM 13 O PRO C 26 15.414 -17.100 35.429 1.00 20.53 O +ATOM 14 CB PRO C 26 13.804 -14.313 36.444 1.00 29.95 C +ATOM 15 CG PRO C 26 12.625 -14.564 37.321 1.00 30.62 C +ATOM 16 CD PRO C 26 12.629 -16.028 37.437 1.00 31.96 C +ATOM 17 N SER C 27 15.986 -15.121 34.535 1.00 23.02 N +ATOM 18 CA SER C 27 17.351 -15.540 34.230 1.00 24.64 C +ATOM 19 C SER C 27 18.145 -15.801 35.497 1.00 26.19 C +ATOM 20 O SER C 27 19.129 -16.538 35.475 1.00 30.38 O +ATOM 21 CB SER C 27 18.069 -14.475 33.391 1.00 30.54 C +ATOM 22 OG SER C 27 18.021 -13.198 34.015 1.00 35.14 O +ATOM 23 N ALA C 28 17.752 -15.132 36.579 1.00 21.78 N +ATOM 24 CA ALA C 28 18.414 -15.274 37.864 1.00 17.94 C +ATOM 25 C ALA C 28 18.060 -16.611 38.518 1.00 19.92 C +ATOM 26 O ALA C 28 18.803 -17.120 39.361 1.00 19.42 O +ATOM 27 CB ALA C 28 18.022 -14.119 38.771 1.00 16.26 C +ATOM 28 N CYS C 29 16.926 -17.181 38.123 1.00 19.42 N +ATOM 29 CA CYS C 29 16.483 -18.450 38.686 1.00 21.70 C +ATOM 30 C CYS C 29 17.297 -19.607 38.095 1.00 24.33 C +ATOM 31 O CYS C 29 16.920 -20.154 37.053 1.00 26.24 O +ATOM 32 CB CYS C 29 14.995 -18.642 38.412 1.00 20.62 C +ATOM 33 SG CYS C 29 14.344 -20.107 39.165 1.00 22.26 S +ATOM 34 N ARG C 30 18.378 -19.994 38.785 1.00 24.80 N +ATOM 35 CA ARG C 30 19.287 -21.044 38.321 1.00 23.33 C +ATOM 36 C ARG C 30 19.974 -21.871 39.402 1.00 18.21 C +ATOM 37 O ARG C 30 20.353 -21.345 40.438 1.00 16.26 O +ATOM 38 CB ARG C 30 20.458 -20.412 37.551 1.00 28.26 C +ATOM 39 CG ARG C 30 20.138 -19.504 36.390 1.00 33.23 C +ATOM 40 CD ARG C 30 21.248 -18.474 36.218 1.00 36.69 C +ATOM 41 NE ARG C 30 22.570 -19.071 36.383 1.00 43.05 N +ATOM 42 CZ ARG C 30 23.691 -18.391 36.626 1.00 45.58 C +ATOM 43 NH1 ARG C 30 23.679 -17.064 36.740 1.00 43.04 N +ATOM 44 NH2 ARG C 30 24.839 -19.047 36.742 1.00 47.43 N +ATOM 45 N ASN C 31 20.224 -23.143 39.096 1.00 16.20 N +ATOM 46 CA ASN C 31 20.988 -24.039 39.969 1.00 18.17 C +ATOM 47 C ASN C 31 22.392 -23.860 39.367 1.00 23.00 C +ATOM 48 O ASN C 31 22.519 -23.627 38.165 1.00 27.59 O +ATOM 49 CB ASN C 31 20.554 -25.505 39.808 1.00 16.76 C +ATOM 50 CG ASN C 31 21.586 -26.501 40.378 1.00 17.86 C +ATOM 51 OD1 ASN C 31 22.465 -26.987 39.665 1.00 17.41 O +ATOM 52 ND2 ASN C 31 21.469 -26.808 41.658 1.00 18.56 N +ATOM 53 N LEU C 32 23.445 -23.931 40.167 1.00 19.38 N +ATOM 54 CA LEU C 32 24.763 -23.735 39.598 1.00 11.51 C +ATOM 55 C LEU C 32 25.603 -25.000 39.534 1.00 12.63 C +ATOM 56 O LEU C 32 26.195 -25.287 38.503 1.00 11.49 O +ATOM 57 CB LEU C 32 25.521 -22.658 40.371 1.00 8.17 C +ATOM 58 CG LEU C 32 24.937 -21.255 40.500 1.00 6.57 C +ATOM 59 CD1 LEU C 32 25.828 -20.433 41.434 1.00 4.42 C +ATOM 60 CD2 LEU C 32 24.830 -20.605 39.142 1.00 1.00 C +ATOM 61 N PHE C 33 25.668 -25.760 40.625 1.00 15.42 N +ATOM 62 CA PHE C 33 26.499 -26.963 40.627 1.00 11.45 C +ATOM 63 C PHE C 33 25.814 -28.286 40.891 1.00 11.08 C +ATOM 64 O PHE C 33 26.339 -29.130 41.605 1.00 10.77 O +ATOM 65 CB PHE C 33 27.719 -26.775 41.532 1.00 11.30 C +ATOM 66 CG PHE C 33 28.556 -25.586 41.155 1.00 11.62 C +ATOM 67 CD1 PHE C 33 29.324 -25.606 39.996 1.00 13.19 C +ATOM 68 CD2 PHE C 33 28.492 -24.412 41.893 1.00 10.10 C +ATOM 69 CE1 PHE C 33 30.004 -24.468 39.569 1.00 12.34 C +ATOM 70 CE2 PHE C 33 29.169 -23.262 41.476 1.00 10.10 C +ATOM 71 CZ PHE C 33 29.921 -23.291 40.310 1.00 11.81 C +ATOM 72 N GLY C 34 24.643 -28.463 40.290 1.00 15.76 N +ATOM 73 CA GLY C 34 23.926 -29.720 40.396 1.00 18.39 C +ATOM 74 C GLY C 34 23.001 -29.966 41.569 1.00 22.76 C +ATOM 75 O GLY C 34 22.895 -29.148 42.487 1.00 22.54 O +ATOM 76 N PRO C 35 22.287 -31.106 41.538 1.00 24.60 N +ATOM 77 CA PRO C 35 21.340 -31.544 42.562 1.00 24.63 C +ATOM 78 C PRO C 35 22.107 -31.886 43.825 1.00 28.60 C +ATOM 79 O PRO C 35 23.282 -32.284 43.777 1.00 27.30 O +ATOM 80 CB PRO C 35 20.718 -32.786 41.939 1.00 24.55 C +ATOM 81 CG PRO C 35 21.841 -33.349 41.152 1.00 24.43 C +ATOM 82 CD PRO C 35 22.403 -32.123 40.480 1.00 25.45 C +ATOM 83 N VAL C 36 21.420 -31.776 44.952 1.00 32.23 N +ATOM 84 CA VAL C 36 22.048 -32.021 46.224 1.00 31.19 C +ATOM 85 C VAL C 36 21.378 -33.182 46.967 1.00 35.42 C +ATOM 86 O VAL C 36 20.181 -33.453 46.790 1.00 33.79 O +ATOM 87 CB VAL C 36 22.066 -30.687 47.060 1.00 26.14 C +ATOM 88 CG1 VAL C 36 20.867 -30.593 48.003 1.00 21.80 C +ATOM 89 CG2 VAL C 36 23.386 -30.524 47.782 1.00 24.19 C +ATOM 90 N ASP C 37 22.193 -33.901 47.738 1.00 40.60 N +ATOM 91 CA ASP C 37 21.760 -35.028 48.564 1.00 40.38 C +ATOM 92 C ASP C 37 21.170 -34.378 49.824 1.00 33.29 C +ATOM 93 O ASP C 37 21.886 -34.118 50.792 1.00 29.12 O +ATOM 94 CB ASP C 37 22.987 -35.870 48.934 1.00 44.99 C +ATOM 95 CG ASP C 37 22.626 -37.237 49.490 1.00 50.22 C +ATOM 96 OD1 ASP C 37 21.612 -37.371 50.222 1.00 48.24 O +ATOM 97 OD2 ASP C 37 23.388 -38.182 49.186 1.00 53.36 O +ATOM 98 N HIS C 38 19.871 -34.104 49.791 1.00 32.19 N +ATOM 99 CA HIS C 38 19.199 -33.436 50.895 1.00 35.36 C +ATOM 100 C HIS C 38 19.359 -34.066 52.256 1.00 40.90 C +ATOM 101 O HIS C 38 19.566 -33.360 53.239 1.00 40.27 O +ATOM 102 CB HIS C 38 17.724 -33.201 50.580 1.00 34.02 C +ATOM 103 CG HIS C 38 17.487 -32.074 49.620 1.00 35.70 C +ATOM 104 ND1 HIS C 38 18.188 -30.887 49.673 1.00 39.05 N +ATOM 105 CD2 HIS C 38 16.638 -31.958 48.575 1.00 38.08 C +ATOM 106 CE1 HIS C 38 17.781 -30.090 48.702 1.00 40.22 C +ATOM 107 NE2 HIS C 38 16.841 -30.717 48.020 1.00 40.61 N +ATOM 108 N GLU C 39 19.323 -35.391 52.306 1.00 46.95 N +ATOM 109 CA GLU C 39 19.460 -36.105 53.570 1.00 51.60 C +ATOM 110 C GLU C 39 20.834 -35.869 54.203 1.00 51.11 C +ATOM 111 O GLU C 39 20.931 -35.468 55.364 1.00 50.01 O +ATOM 112 CB GLU C 39 19.190 -37.601 53.362 1.00 58.23 C +ATOM 113 CG GLU C 39 17.871 -37.915 52.613 1.00 64.64 C +ATOM 114 CD GLU C 39 16.605 -37.414 53.335 1.00 70.99 C +ATOM 115 OE1 GLU C 39 16.113 -38.113 54.253 1.00 75.29 O +ATOM 116 OE2 GLU C 39 16.088 -36.333 52.971 1.00 70.95 O +ATOM 117 N GLU C 40 21.893 -36.064 53.422 1.00 53.19 N +ATOM 118 CA GLU C 40 23.254 -35.867 53.912 1.00 55.35 C +ATOM 119 C GLU C 40 23.574 -34.388 54.111 1.00 49.21 C +ATOM 120 O GLU C 40 24.333 -34.035 55.008 1.00 48.29 O +ATOM 121 CB GLU C 40 24.265 -36.496 52.953 1.00 65.91 C +ATOM 122 CG GLU C 40 24.154 -38.020 52.833 1.00 75.14 C +ATOM 123 CD GLU C 40 25.097 -38.625 51.788 1.00 81.43 C +ATOM 124 OE1 GLU C 40 25.839 -37.868 51.113 1.00 83.74 O +ATOM 125 OE2 GLU C 40 25.082 -39.869 51.636 1.00 82.96 O +ATOM 126 N LEU C 41 23.001 -33.530 53.268 1.00 45.03 N +ATOM 127 CA LEU C 41 23.217 -32.088 53.364 1.00 41.89 C +ATOM 128 C LEU C 41 22.708 -31.566 54.707 1.00 43.55 C +ATOM 129 O LEU C 41 23.420 -30.843 55.403 1.00 44.70 O +ATOM 130 CB LEU C 41 22.509 -31.350 52.218 1.00 37.29 C +ATOM 131 CG LEU C 41 22.586 -29.821 52.276 1.00 33.30 C +ATOM 132 CD1 LEU C 41 24.022 -29.388 52.465 1.00 33.58 C +ATOM 133 CD2 LEU C 41 22.017 -29.201 51.026 1.00 31.74 C +ATOM 134 N THR C 42 21.471 -31.924 55.054 1.00 43.13 N +ATOM 135 CA THR C 42 20.863 -31.522 56.318 1.00 43.20 C +ATOM 136 C THR C 42 21.673 -32.057 57.487 1.00 42.96 C +ATOM 137 O THR C 42 21.875 -31.363 58.478 1.00 43.29 O +ATOM 138 CB THR C 42 19.440 -32.063 56.435 1.00 45.90 C +ATOM 139 OG1 THR C 42 18.614 -31.441 55.440 1.00 47.05 O +ATOM 140 CG2 THR C 42 18.876 -31.798 57.823 1.00 43.82 C +ATOM 141 N ARG C 43 22.142 -33.292 57.366 1.00 45.78 N +ATOM 142 CA ARG C 43 22.945 -33.908 58.413 1.00 49.88 C +ATOM 143 C ARG C 43 24.310 -33.236 58.599 1.00 49.58 C +ATOM 144 O ARG C 43 24.774 -33.086 59.730 1.00 54.33 O +ATOM 145 CB ARG C 43 23.084 -35.414 58.163 1.00 55.31 C +ATOM 146 CG ARG C 43 22.061 -36.265 58.928 1.00 58.99 C +ATOM 147 CD ARG C 43 20.643 -35.674 58.895 1.00 62.83 C +ATOM 148 NE ARG C 43 19.817 -36.187 57.800 1.00 65.40 N +ATOM 149 CZ ARG C 43 18.616 -35.709 57.476 1.00 67.23 C +ATOM 150 NH1 ARG C 43 18.090 -34.694 58.151 1.00 69.95 N +ATOM 151 NH2 ARG C 43 17.917 -36.273 56.501 1.00 66.01 N +ATOM 152 N ASP C 44 24.939 -32.811 57.506 1.00 47.09 N +ATOM 153 CA ASP C 44 26.231 -32.121 57.571 1.00 45.33 C +ATOM 154 C ASP C 44 26.063 -30.757 58.252 1.00 43.02 C +ATOM 155 O ASP C 44 26.918 -30.327 59.033 1.00 44.01 O +ATOM 156 CB ASP C 44 26.791 -31.917 56.165 1.00 49.82 C +ATOM 157 CG ASP C 44 27.984 -30.982 56.142 1.00 56.10 C +ATOM 158 OD1 ASP C 44 29.067 -31.398 56.607 1.00 58.07 O +ATOM 159 OD2 ASP C 44 27.837 -29.829 55.673 1.00 58.68 O +ATOM 160 N LEU C 45 24.981 -30.063 57.909 1.00 41.45 N +ATOM 161 CA LEU C 45 24.662 -28.755 58.480 1.00 38.68 C +ATOM 162 C LEU C 45 24.314 -28.849 59.983 1.00 44.34 C +ATOM 163 O LEU C 45 24.772 -28.018 60.781 1.00 40.80 O +ATOM 164 CB LEU C 45 23.525 -28.096 57.685 1.00 29.43 C +ATOM 165 CG LEU C 45 23.928 -27.666 56.269 1.00 24.85 C +ATOM 166 CD1 LEU C 45 22.717 -27.277 55.456 1.00 25.36 C +ATOM 167 CD2 LEU C 45 24.918 -26.520 56.336 1.00 21.83 C +ATOM 168 N GLU C 46 23.522 -29.860 60.359 1.00 49.68 N +ATOM 169 CA GLU C 46 23.147 -30.085 61.757 1.00 53.69 C +ATOM 170 C GLU C 46 24.429 -30.171 62.565 1.00 55.36 C +ATOM 171 O GLU C 46 24.583 -29.499 63.581 1.00 56.00 O +ATOM 172 CB GLU C 46 22.402 -31.407 61.926 1.00 58.00 C +ATOM 173 CG GLU C 46 21.030 -31.471 61.301 1.00 64.48 C +ATOM 174 CD GLU C 46 20.304 -32.789 61.570 1.00 69.64 C +ATOM 175 OE1 GLU C 46 20.755 -33.572 62.441 1.00 70.84 O +ATOM 176 OE2 GLU C 46 19.269 -33.040 60.908 1.00 71.64 O +ATOM 177 N LYS C 47 25.353 -31.000 62.098 1.00 57.59 N +ATOM 178 CA LYS C 47 26.627 -31.160 62.775 1.00 64.99 C +ATOM 179 C LYS C 47 27.356 -29.827 62.927 1.00 66.72 C +ATOM 180 O LYS C 47 27.657 -29.402 64.039 1.00 67.07 O +ATOM 181 CB LYS C 47 27.513 -32.176 62.031 1.00 72.12 C +ATOM 182 CG LYS C 47 29.036 -32.007 62.254 1.00 78.54 C +ATOM 183 CD LYS C 47 29.444 -32.026 63.747 1.00 82.99 C +ATOM 184 CE LYS C 47 30.782 -31.310 63.983 1.00 83.93 C +ATOM 185 NZ LYS C 47 31.108 -31.162 65.432 1.00 83.84 N +ATOM 186 N HIS C 48 27.634 -29.175 61.805 1.00 69.18 N +ATOM 187 CA HIS C 48 28.354 -27.908 61.816 1.00 70.48 C +ATOM 188 C HIS C 48 27.747 -26.888 62.753 1.00 73.17 C +ATOM 189 O HIS C 48 28.464 -26.156 63.434 1.00 74.27 O +ATOM 190 CB HIS C 48 28.438 -27.332 60.408 1.00 70.27 C +ATOM 191 CG HIS C 48 29.254 -28.162 59.472 1.00 71.50 C +ATOM 192 ND1 HIS C 48 29.356 -27.887 58.125 1.00 74.19 N +ATOM 193 CD2 HIS C 48 30.016 -29.260 59.692 1.00 70.73 C +ATOM 194 CE1 HIS C 48 30.147 -28.778 57.555 1.00 74.65 C +ATOM 195 NE2 HIS C 48 30.559 -29.624 58.484 1.00 72.61 N +ATOM 196 N CYS C 49 26.425 -26.852 62.806 1.00 76.24 N +ATOM 197 CA CYS C 49 25.745 -25.904 63.670 1.00 81.59 C +ATOM 198 C CYS C 49 25.907 -26.216 65.169 1.00 88.21 C +ATOM 199 O CYS C 49 25.738 -25.327 66.019 1.00 90.00 O +ATOM 200 CB CYS C 49 24.271 -25.786 63.262 1.00 79.00 C +ATOM 201 SG CYS C 49 24.026 -25.027 61.618 1.00 74.56 S +ATOM 202 N ARG C 50 26.283 -27.454 65.491 1.00 90.00 N +ATOM 203 CA ARG C 50 26.477 -27.870 66.880 1.00 89.74 C +ATOM 204 C ARG C 50 27.830 -27.439 67.448 1.00 90.00 C +ATOM 205 O ARG C 50 28.641 -28.277 67.841 1.00 90.00 O +ATOM 206 CB ARG C 50 26.325 -29.388 67.022 1.00 88.56 C +ATOM 207 CG ARG C 50 24.920 -29.907 66.793 1.00 88.74 C +ATOM 208 CD ARG C 50 24.831 -31.393 67.119 1.00 89.67 C +ATOM 209 NE ARG C 50 23.514 -31.947 66.804 1.00 90.00 N +ATOM 210 CZ ARG C 50 23.291 -32.857 65.857 1.00 90.00 C +ATOM 211 NH1 ARG C 50 24.301 -33.327 65.130 1.00 90.00 N +ATOM 212 NH2 ARG C 50 22.053 -33.277 65.616 1.00 90.00 N +ATOM 213 N ASP C 51 28.064 -26.131 67.507 1.00 90.00 N +ATOM 214 CA ASP C 51 29.316 -25.609 68.045 1.00 90.00 C +ATOM 215 C ASP C 51 29.056 -24.642 69.199 1.00 90.00 C +ATOM 216 O ASP C 51 29.686 -24.735 70.261 1.00 90.00 O +ATOM 217 CB ASP C 51 30.133 -24.906 66.947 1.00 90.00 C +ATOM 218 CG ASP C 51 31.560 -24.563 67.397 1.00 90.00 C +ATOM 219 OD1 ASP C 51 31.760 -23.506 68.039 1.00 90.00 O +ATOM 220 OD2 ASP C 51 32.488 -25.352 67.105 1.00 90.00 O +ATOM 221 N MET C 52 28.104 -23.736 69.003 1.00 90.00 N +ATOM 222 CA MET C 52 27.783 -22.746 70.021 1.00 90.00 C +ATOM 223 C MET C 52 27.162 -23.312 71.301 1.00 90.00 C +ATOM 224 O MET C 52 25.939 -23.328 71.469 1.00 90.00 O +ATOM 225 CB MET C 52 26.911 -21.632 69.439 1.00 90.00 C +ATOM 226 CG MET C 52 26.703 -20.463 70.396 1.00 90.00 C +ATOM 227 SD MET C 52 28.246 -19.823 71.123 1.00 90.00 S +ATOM 228 CE MET C 52 28.216 -20.585 72.771 1.00 89.63 C +ATOM 229 N GLU C 53 28.036 -23.755 72.201 1.00 90.00 N +ATOM 230 CA GLU C 53 27.671 -24.319 73.502 1.00 89.92 C +ATOM 231 C GLU C 53 28.911 -24.104 74.375 1.00 89.91 C +ATOM 232 O GLU C 53 28.912 -23.297 75.310 1.00 90.00 O +ATOM 233 CB GLU C 53 27.403 -25.837 73.396 1.00 90.00 C +ATOM 234 CG GLU C 53 26.216 -26.276 72.517 1.00 90.00 C +ATOM 235 CD GLU C 53 26.632 -26.867 71.161 1.00 90.00 C +ATOM 236 OE1 GLU C 53 27.309 -27.921 71.131 1.00 90.00 O +ATOM 237 OE2 GLU C 53 26.256 -26.283 70.121 1.00 90.00 O +ATOM 238 N GLU C 54 29.982 -24.777 73.952 1.00 89.36 N +ATOM 239 CA GLU C 54 31.323 -24.811 74.549 1.00 86.40 C +ATOM 240 C GLU C 54 31.772 -23.834 75.655 1.00 77.68 C +ATOM 241 O GLU C 54 31.401 -23.981 76.817 1.00 75.35 O +ATOM 242 CB GLU C 54 32.361 -24.831 73.408 1.00 89.85 C +ATOM 243 CG GLU C 54 33.786 -25.248 73.809 1.00 90.00 C +ATOM 244 CD GLU C 54 34.804 -25.088 72.677 1.00 90.00 C +ATOM 245 OE1 GLU C 54 34.416 -25.199 71.490 1.00 90.00 O +ATOM 246 OE2 GLU C 54 35.996 -24.851 72.978 1.00 89.81 O +ATOM 247 N ALA C 55 32.596 -22.860 75.286 1.00 72.84 N +ATOM 248 CA ALA C 55 33.155 -21.908 76.234 1.00 70.41 C +ATOM 249 C ALA C 55 32.212 -20.902 76.871 1.00 67.21 C +ATOM 250 O ALA C 55 32.509 -20.392 77.950 1.00 65.65 O +ATOM 251 CB ALA C 55 34.338 -21.188 75.610 1.00 71.50 C +ATOM 252 N SER C 56 31.108 -20.577 76.204 1.00 65.22 N +ATOM 253 CA SER C 56 30.157 -19.616 76.762 1.00 62.18 C +ATOM 254 C SER C 56 29.448 -20.213 77.968 1.00 59.94 C +ATOM 255 O SER C 56 29.309 -19.550 79.004 1.00 58.89 O +ATOM 256 CB SER C 56 29.156 -19.153 75.706 1.00 60.79 C +ATOM 257 OG SER C 56 29.820 -18.420 74.689 1.00 59.83 O +ATOM 258 N GLN C 57 29.031 -21.473 77.839 1.00 58.18 N +ATOM 259 CA GLN C 57 28.376 -22.183 78.933 1.00 56.62 C +ATOM 260 C GLN C 57 29.376 -22.228 80.084 1.00 54.04 C +ATOM 261 O GLN C 57 29.008 -22.144 81.253 1.00 53.19 O +ATOM 262 CB GLN C 57 28.013 -23.604 78.505 1.00 57.65 C +ATOM 263 CG GLN C 57 27.513 -24.475 79.639 1.00 60.59 C +ATOM 264 CD GLN C 57 27.164 -25.878 79.194 1.00 64.78 C +ATOM 265 OE1 GLN C 57 27.943 -26.816 79.372 1.00 65.38 O +ATOM 266 NE2 GLN C 57 25.974 -26.035 78.637 1.00 67.77 N +ATOM 267 N ARG C 58 30.649 -22.309 79.720 1.00 54.17 N +ATOM 268 CA ARG C 58 31.753 -22.349 80.665 1.00 56.41 C +ATOM 269 C ARG C 58 31.920 -21.025 81.420 1.00 52.12 C +ATOM 270 O ARG C 58 31.915 -20.996 82.651 1.00 53.42 O +ATOM 271 CB ARG C 58 33.044 -22.685 79.911 1.00 64.30 C +ATOM 272 CG ARG C 58 34.287 -22.653 80.763 1.00 72.57 C +ATOM 273 CD ARG C 58 35.554 -22.629 79.921 1.00 80.13 C +ATOM 274 NE ARG C 58 36.749 -22.602 80.768 1.00 86.79 N +ATOM 275 CZ ARG C 58 37.123 -21.565 81.519 1.00 90.00 C +ATOM 276 NH1 ARG C 58 36.401 -20.446 81.532 1.00 90.00 N +ATOM 277 NH2 ARG C 58 38.205 -21.660 82.288 1.00 90.00 N +ATOM 278 N LYS C 59 32.041 -19.930 80.674 1.00 49.42 N +ATOM 279 CA LYS C 59 32.232 -18.602 81.254 1.00 44.64 C +ATOM 280 C LYS C 59 31.106 -18.113 82.152 1.00 37.34 C +ATOM 281 O LYS C 59 31.353 -17.554 83.210 1.00 35.38 O +ATOM 282 CB LYS C 59 32.456 -17.551 80.163 1.00 47.77 C +ATOM 283 CG LYS C 59 32.677 -16.165 80.751 1.00 51.61 C +ATOM 284 CD LYS C 59 32.552 -15.050 79.745 1.00 54.94 C +ATOM 285 CE LYS C 59 32.781 -13.709 80.439 1.00 59.06 C +ATOM 286 NZ LYS C 59 32.649 -12.562 79.494 1.00 63.29 N +ATOM 287 N TRP C 60 29.871 -18.292 81.709 1.00 35.74 N +ATOM 288 CA TRP C 60 28.723 -17.827 82.475 1.00 36.70 C +ATOM 289 C TRP C 60 28.093 -18.879 83.363 1.00 39.72 C +ATOM 290 O TRP C 60 27.095 -18.600 84.012 1.00 40.46 O +ATOM 291 CB TRP C 60 27.646 -17.316 81.519 1.00 35.06 C +ATOM 292 CG TRP C 60 28.175 -16.409 80.488 1.00 33.07 C +ATOM 293 CD1 TRP C 60 28.436 -16.722 79.192 1.00 31.52 C +ATOM 294 CD2 TRP C 60 28.529 -15.027 80.655 1.00 30.40 C +ATOM 295 NE1 TRP C 60 28.932 -15.623 78.539 1.00 31.24 N +ATOM 296 CE2 TRP C 60 28.997 -14.567 79.410 1.00 29.34 C +ATOM 297 CE3 TRP C 60 28.493 -14.135 81.734 1.00 28.55 C +ATOM 298 CZ2 TRP C 60 29.427 -13.249 79.207 1.00 28.87 C +ATOM 299 CZ3 TRP C 60 28.923 -12.823 81.534 1.00 28.80 C +ATOM 300 CH2 TRP C 60 29.384 -12.396 80.276 1.00 29.97 C +ATOM 301 N ASN C 61 28.682 -20.070 83.412 1.00 43.17 N +ATOM 302 CA ASN C 61 28.134 -21.192 84.178 1.00 42.16 C +ATOM 303 C ASN C 61 26.611 -21.328 84.028 1.00 40.76 C +ATOM 304 O ASN C 61 25.879 -21.507 85.006 1.00 42.62 O +ATOM 305 CB ASN C 61 28.608 -21.218 85.653 1.00 41.40 C +ATOM 306 CG ASN C 61 28.136 -20.020 86.483 1.00 39.91 C +ATOM 307 OD1 ASN C 61 28.888 -19.066 86.692 1.00 39.11 O +ATOM 308 ND2 ASN C 61 26.936 -20.117 87.046 1.00 39.04 N +ATOM 309 N PHE C 62 26.159 -21.268 82.773 1.00 34.39 N +ATOM 310 CA PHE C 62 24.747 -21.393 82.423 1.00 29.14 C +ATOM 311 C PHE C 62 24.695 -22.338 81.217 1.00 33.24 C +ATOM 312 O PHE C 62 25.538 -22.266 80.324 1.00 37.12 O +ATOM 313 CB PHE C 62 24.166 -20.014 82.061 1.00 23.81 C +ATOM 314 CG PHE C 62 22.651 -19.984 81.922 1.00 21.27 C +ATOM 315 CD1 PHE C 62 22.033 -20.289 80.711 1.00 19.92 C +ATOM 316 CD2 PHE C 62 21.849 -19.622 82.995 1.00 19.86 C +ATOM 317 CE1 PHE C 62 20.646 -20.231 80.578 1.00 19.33 C +ATOM 318 CE2 PHE C 62 20.460 -19.562 82.867 1.00 18.07 C +ATOM 319 CZ PHE C 62 19.860 -19.866 81.662 1.00 18.83 C +ATOM 320 N ASP C 63 23.730 -23.248 81.221 1.00 35.07 N +ATOM 321 CA ASP C 63 23.536 -24.230 80.152 1.00 38.11 C +ATOM 322 C ASP C 63 22.519 -23.646 79.185 1.00 39.18 C +ATOM 323 O ASP C 63 21.312 -23.902 79.308 1.00 37.53 O +ATOM 324 CB ASP C 63 22.990 -25.536 80.759 1.00 42.63 C +ATOM 325 CG ASP C 63 22.769 -26.648 79.735 1.00 45.22 C +ATOM 326 OD1 ASP C 63 22.618 -26.369 78.524 1.00 44.40 O +ATOM 327 OD2 ASP C 63 22.711 -27.821 80.171 1.00 45.02 O +ATOM 328 N PHE C 64 23.014 -22.923 78.186 1.00 38.16 N +ATOM 329 CA PHE C 64 22.153 -22.284 77.197 1.00 31.68 C +ATOM 330 C PHE C 64 21.319 -23.292 76.415 1.00 34.46 C +ATOM 331 O PHE C 64 20.224 -22.977 75.957 1.00 30.63 O +ATOM 332 CB PHE C 64 22.987 -21.395 76.270 1.00 25.54 C +ATOM 333 CG PHE C 64 23.756 -20.317 77.000 1.00 24.62 C +ATOM 334 CD1 PHE C 64 23.152 -19.102 77.315 1.00 22.17 C +ATOM 335 CD2 PHE C 64 25.062 -20.543 77.435 1.00 25.29 C +ATOM 336 CE1 PHE C 64 23.835 -18.137 78.057 1.00 21.60 C +ATOM 337 CE2 PHE C 64 25.752 -19.575 78.181 1.00 24.74 C +ATOM 338 CZ PHE C 64 25.134 -18.374 78.492 1.00 21.39 C +ATOM 339 N GLN C 65 21.807 -24.520 76.306 1.00 40.92 N +ATOM 340 CA GLN C 65 21.054 -25.536 75.584 1.00 48.89 C +ATOM 341 C GLN C 65 19.753 -25.769 76.328 1.00 48.95 C +ATOM 342 O GLN C 65 18.659 -25.575 75.801 1.00 46.81 O +ATOM 343 CB GLN C 65 21.804 -26.866 75.548 1.00 55.61 C +ATOM 344 CG GLN C 65 23.262 -26.789 75.193 1.00 62.92 C +ATOM 345 CD GLN C 65 24.090 -27.744 76.033 1.00 68.96 C +ATOM 346 OE1 GLN C 65 25.213 -27.426 76.430 1.00 68.61 O +ATOM 347 NE2 GLN C 65 23.526 -28.906 76.341 1.00 72.09 N +ATOM 348 N ASN C 66 19.891 -26.157 77.584 1.00 52.03 N +ATOM 349 CA ASN C 66 18.742 -26.465 78.408 1.00 56.30 C +ATOM 350 C ASN C 66 18.178 -25.290 79.190 1.00 55.78 C +ATOM 351 O ASN C 66 17.171 -25.438 79.887 1.00 57.48 O +ATOM 352 CB ASN C 66 19.102 -27.612 79.342 1.00 60.39 C +ATOM 353 CG ASN C 66 19.729 -28.767 78.600 1.00 64.39 C +ATOM 354 OD1 ASN C 66 20.949 -28.837 78.461 1.00 64.51 O +ATOM 355 ND2 ASN C 66 18.895 -29.643 78.054 1.00 67.17 N +ATOM 356 N HIS C 67 18.799 -24.121 79.044 1.00 52.82 N +ATOM 357 CA HIS C 67 18.365 -22.914 79.751 1.00 49.18 C +ATOM 358 C HIS C 67 18.323 -23.220 81.247 1.00 46.51 C +ATOM 359 O HIS C 67 17.311 -23.006 81.921 1.00 47.58 O +ATOM 360 CB HIS C 67 16.987 -22.462 79.255 1.00 46.94 C +ATOM 361 CG HIS C 67 16.597 -21.096 79.720 1.00 48.99 C +ATOM 362 ND1 HIS C 67 17.410 -19.996 79.552 1.00 51.87 N +ATOM 363 CD2 HIS C 67 15.475 -20.644 80.329 1.00 49.36 C +ATOM 364 CE1 HIS C 67 16.805 -18.925 80.037 1.00 52.97 C +ATOM 365 NE2 HIS C 67 15.630 -19.291 80.514 1.00 51.58 N +ATOM 366 N LYS C 68 19.429 -23.764 81.742 1.00 42.78 N +ATOM 367 CA LYS C 68 19.556 -24.125 83.141 1.00 45.17 C +ATOM 368 C LYS C 68 20.872 -23.630 83.697 1.00 42.42 C +ATOM 369 O LYS C 68 21.935 -24.024 83.220 1.00 46.44 O +ATOM 370 CB LYS C 68 19.505 -25.645 83.315 1.00 50.84 C +ATOM 371 CG LYS C 68 18.110 -26.241 83.360 1.00 56.99 C +ATOM 372 CD LYS C 68 18.122 -27.520 84.178 1.00 61.17 C +ATOM 373 CE LYS C 68 18.540 -27.242 85.626 1.00 64.87 C +ATOM 374 NZ LYS C 68 18.737 -28.489 86.421 1.00 67.32 N +ATOM 375 N PRO C 69 20.824 -22.748 84.703 1.00 36.05 N +ATOM 376 CA PRO C 69 22.042 -22.215 85.316 1.00 36.05 C +ATOM 377 C PRO C 69 22.819 -23.382 85.923 1.00 41.34 C +ATOM 378 O PRO C 69 22.254 -24.470 86.097 1.00 43.74 O +ATOM 379 CB PRO C 69 21.494 -21.280 86.393 1.00 34.80 C +ATOM 380 CG PRO C 69 20.165 -21.888 86.742 1.00 32.81 C +ATOM 381 CD PRO C 69 19.621 -22.259 85.395 1.00 32.92 C +ATOM 382 N LEU C 70 24.089 -23.169 86.264 1.00 42.62 N +ATOM 383 CA LEU C 70 24.890 -24.249 86.828 1.00 47.28 C +ATOM 384 C LEU C 70 26.202 -23.804 87.472 1.00 54.03 C +ATOM 385 O LEU C 70 26.353 -22.633 87.829 1.00 54.90 O +ATOM 386 CB LEU C 70 25.147 -25.321 85.751 1.00 46.93 C +ATOM 387 CG LEU C 70 25.617 -24.909 84.350 1.00 44.62 C +ATOM 388 CD1 LEU C 70 27.116 -25.155 84.159 1.00 44.05 C +ATOM 389 CD2 LEU C 70 24.842 -25.708 83.350 1.00 41.66 C +ATOM 390 N GLU C 71 27.121 -24.761 87.642 1.00 58.93 N +ATOM 391 CA GLU C 71 28.446 -24.546 88.233 1.00 62.76 C +ATOM 392 C GLU C 71 28.443 -23.483 89.329 1.00 58.67 C +ATOM 393 O GLU C 71 27.920 -23.727 90.415 1.00 60.69 O +ATOM 394 CB GLU C 71 29.497 -24.263 87.130 1.00 70.28 C +ATOM 395 CG GLU C 71 30.912 -23.761 87.576 1.00 75.77 C +ATOM 396 CD GLU C 71 31.763 -24.781 88.349 1.00 80.49 C +ATOM 397 OE1 GLU C 71 31.667 -26.003 88.077 1.00 82.31 O +ATOM 398 OE2 GLU C 71 32.558 -24.344 89.218 1.00 81.13 O +ATOM 399 N GLY C 72 28.988 -22.307 89.034 1.00 53.53 N +ATOM 400 CA GLY C 72 29.043 -21.248 90.015 1.00 50.88 C +ATOM 401 C GLY C 72 30.143 -20.272 89.675 1.00 51.12 C +ATOM 402 O GLY C 72 31.123 -20.642 89.025 1.00 51.84 O +ATOM 403 N LYS C 73 29.931 -19.032 90.115 1.00 51.70 N +ATOM 404 CA LYS C 73 30.788 -17.837 89.957 1.00 51.25 C +ATOM 405 C LYS C 73 29.838 -16.714 89.534 1.00 44.37 C +ATOM 406 O LYS C 73 30.054 -15.547 89.836 1.00 44.18 O +ATOM 407 CB LYS C 73 31.938 -18.002 88.945 1.00 55.56 C +ATOM 408 CG LYS C 73 31.551 -17.990 87.468 1.00 57.04 C +ATOM 409 CD LYS C 73 32.759 -17.741 86.575 1.00 56.04 C +ATOM 410 CE LYS C 73 33.229 -16.287 86.646 1.00 54.82 C +ATOM 411 NZ LYS C 73 33.738 -15.869 87.984 1.00 54.41 N +ATOM 412 N TYR C 74 28.796 -17.096 88.807 1.00 39.20 N +ATOM 413 CA TYR C 74 27.758 -16.185 88.382 1.00 39.12 C +ATOM 414 C TYR C 74 26.548 -16.706 89.128 1.00 40.22 C +ATOM 415 O TYR C 74 26.112 -17.828 88.881 1.00 42.77 O +ATOM 416 CB TYR C 74 27.519 -16.275 86.868 1.00 38.11 C +ATOM 417 CG TYR C 74 28.408 -15.363 86.064 1.00 36.20 C +ATOM 418 CD1 TYR C 74 28.137 -14.002 85.981 1.00 37.38 C +ATOM 419 CD2 TYR C 74 29.551 -15.845 85.441 1.00 35.37 C +ATOM 420 CE1 TYR C 74 28.987 -13.143 85.305 1.00 38.01 C +ATOM 421 CE2 TYR C 74 30.413 -14.993 84.761 1.00 35.62 C +ATOM 422 CZ TYR C 74 30.129 -13.645 84.700 1.00 36.84 C +ATOM 423 OH TYR C 74 30.994 -12.791 84.059 1.00 36.59 O +ATOM 424 N GLU C 75 26.076 -15.943 90.108 1.00 41.62 N +ATOM 425 CA GLU C 75 24.912 -16.320 90.909 1.00 46.11 C +ATOM 426 C GLU C 75 23.600 -16.026 90.190 1.00 40.29 C +ATOM 427 O GLU C 75 22.935 -15.021 90.476 1.00 39.57 O +ATOM 428 CB GLU C 75 24.924 -15.587 92.253 1.00 58.18 C +ATOM 429 CG GLU C 75 26.084 -15.952 93.165 1.00 68.91 C +ATOM 430 CD GLU C 75 26.042 -15.198 94.486 1.00 78.50 C +ATOM 431 OE1 GLU C 75 26.473 -14.017 94.517 1.00 81.77 O +ATOM 432 OE2 GLU C 75 25.571 -15.788 95.490 1.00 81.18 O +ATOM 433 N TRP C 76 23.238 -16.907 89.263 1.00 34.71 N +ATOM 434 CA TRP C 76 22.016 -16.776 88.484 1.00 31.35 C +ATOM 435 C TRP C 76 20.779 -16.777 89.338 1.00 33.31 C +ATOM 436 O TRP C 76 20.568 -17.682 90.133 1.00 39.11 O +ATOM 437 CB TRP C 76 21.910 -17.907 87.468 1.00 32.06 C +ATOM 438 CG TRP C 76 22.875 -17.762 86.364 1.00 35.12 C +ATOM 439 CD1 TRP C 76 24.055 -18.422 86.214 1.00 35.18 C +ATOM 440 CD2 TRP C 76 22.781 -16.841 85.273 1.00 37.10 C +ATOM 441 NE1 TRP C 76 24.708 -17.964 85.104 1.00 36.38 N +ATOM 442 CE2 TRP C 76 23.949 -16.993 84.503 1.00 37.76 C +ATOM 443 CE3 TRP C 76 21.824 -15.897 84.875 1.00 37.37 C +ATOM 444 CZ2 TRP C 76 24.188 -16.238 83.356 1.00 37.71 C +ATOM 445 CZ3 TRP C 76 22.061 -15.147 83.739 1.00 37.48 C +ATOM 446 CH2 TRP C 76 23.234 -15.322 82.992 1.00 38.97 C +ATOM 447 N GLN C 77 19.928 -15.792 89.114 1.00 33.21 N +ATOM 448 CA GLN C 77 18.683 -15.648 89.846 1.00 34.43 C +ATOM 449 C GLN C 77 17.638 -15.151 88.850 1.00 32.75 C +ATOM 450 O GLN C 77 17.893 -14.237 88.065 1.00 32.89 O +ATOM 451 CB GLN C 77 18.857 -14.623 90.973 1.00 39.83 C +ATOM 452 CG GLN C 77 19.351 -13.257 90.473 1.00 49.92 C +ATOM 453 CD GLN C 77 19.658 -12.260 91.586 1.00 59.92 C +ATOM 454 OE1 GLN C 77 20.495 -11.359 91.420 1.00 60.52 O +ATOM 455 NE2 GLN C 77 18.973 -12.401 92.719 1.00 64.63 N +ATOM 456 N GLU C 78 16.487 -15.797 88.827 1.00 29.74 N +ATOM 457 CA GLU C 78 15.428 -15.370 87.937 1.00 31.27 C +ATOM 458 C GLU C 78 14.629 -14.267 88.616 1.00 33.68 C +ATOM 459 O GLU C 78 14.027 -14.494 89.666 1.00 36.21 O +ATOM 460 CB GLU C 78 14.529 -16.542 87.604 1.00 33.72 C +ATOM 461 CG GLU C 78 15.003 -17.325 86.415 1.00 40.92 C +ATOM 462 CD GLU C 78 13.925 -18.213 85.833 1.00 48.93 C +ATOM 463 OE1 GLU C 78 13.000 -18.598 86.586 1.00 50.99 O +ATOM 464 OE2 GLU C 78 14.000 -18.521 84.618 1.00 52.96 O +ATOM 465 N VAL C 79 14.659 -13.062 88.057 1.00 34.32 N +ATOM 466 CA VAL C 79 13.921 -11.950 88.644 1.00 35.89 C +ATOM 467 C VAL C 79 12.660 -11.616 87.853 1.00 40.75 C +ATOM 468 O VAL C 79 12.592 -11.839 86.641 1.00 41.49 O +ATOM 469 CB VAL C 79 14.790 -10.684 88.791 1.00 35.21 C +ATOM 470 CG1 VAL C 79 16.068 -11.017 89.548 1.00 36.27 C +ATOM 471 CG2 VAL C 79 15.099 -10.081 87.437 1.00 33.59 C +ATOM 472 N GLU C 80 11.642 -11.118 88.547 1.00 41.87 N +ATOM 473 CA GLU C 80 10.398 -10.760 87.884 1.00 40.89 C +ATOM 474 C GLU C 80 10.576 -9.517 87.008 1.00 33.64 C +ATOM 475 O GLU C 80 11.222 -8.545 87.397 1.00 27.46 O +ATOM 476 CB GLU C 80 9.262 -10.588 88.898 1.00 47.35 C +ATOM 477 CG GLU C 80 9.686 -10.031 90.251 1.00 52.46 C +ATOM 478 CD GLU C 80 8.510 -9.798 91.179 1.00 58.66 C +ATOM 479 OE1 GLU C 80 7.485 -10.505 91.049 1.00 61.10 O +ATOM 480 OE2 GLU C 80 8.613 -8.899 92.040 1.00 61.39 O +ATOM 481 N LYS C 81 9.994 -9.572 85.817 1.00 33.63 N +ATOM 482 CA LYS C 81 10.087 -8.501 84.839 1.00 31.28 C +ATOM 483 C LYS C 81 9.818 -7.073 85.314 1.00 31.97 C +ATOM 484 O LYS C 81 10.327 -6.111 84.733 1.00 32.03 O +ATOM 485 CB LYS C 81 9.252 -8.870 83.618 1.00 28.15 C +ATOM 486 CG LYS C 81 9.892 -10.032 82.878 1.00 27.42 C +ATOM 487 CD LYS C 81 9.198 -10.425 81.587 1.00 23.65 C +ATOM 488 CE LYS C 81 10.033 -11.481 80.868 1.00 19.95 C +ATOM 489 NZ LYS C 81 9.507 -11.750 79.525 1.00 18.76 N +ATOM 490 N GLY C 82 9.060 -6.925 86.391 1.00 32.74 N +ATOM 491 CA GLY C 82 8.790 -5.592 86.891 1.00 31.03 C +ATOM 492 C GLY C 82 9.954 -4.995 87.667 1.00 30.17 C +ATOM 493 O GLY C 82 9.998 -3.780 87.842 1.00 33.59 O +ATOM 494 N SER C 83 10.894 -5.828 88.120 1.00 25.55 N +ATOM 495 CA SER C 83 12.043 -5.369 88.900 1.00 25.80 C +ATOM 496 C SER C 83 13.225 -4.753 88.124 1.00 28.41 C +ATOM 497 O SER C 83 14.037 -4.026 88.699 1.00 29.37 O +ATOM 498 CB SER C 83 12.543 -6.499 89.797 1.00 25.71 C +ATOM 499 OG SER C 83 13.004 -7.594 89.029 1.00 28.16 O +ATOM 500 N LEU C 84 13.344 -5.057 86.837 1.00 27.59 N +ATOM 501 CA LEU C 84 14.425 -4.503 86.022 1.00 22.06 C +ATOM 502 C LEU C 84 13.856 -3.767 84.803 1.00 22.80 C +ATOM 503 O LEU C 84 12.656 -3.865 84.531 1.00 23.10 O +ATOM 504 CB LEU C 84 15.386 -5.609 85.592 1.00 20.77 C +ATOM 505 CG LEU C 84 14.866 -6.987 85.187 1.00 21.21 C +ATOM 506 CD1 LEU C 84 13.807 -6.896 84.105 1.00 21.82 C +ATOM 507 CD2 LEU C 84 16.058 -7.837 84.746 1.00 20.52 C +ATOM 508 N PRO C 85 14.695 -2.989 84.080 1.00 18.55 N +ATOM 509 CA PRO C 85 14.240 -2.253 82.901 1.00 16.49 C +ATOM 510 C PRO C 85 13.572 -3.165 81.868 1.00 17.85 C +ATOM 511 O PRO C 85 14.083 -4.246 81.549 1.00 16.89 O +ATOM 512 CB PRO C 85 15.540 -1.683 82.366 1.00 14.97 C +ATOM 513 CG PRO C 85 16.299 -1.418 83.607 1.00 11.82 C +ATOM 514 CD PRO C 85 16.122 -2.711 84.313 1.00 13.94 C +ATOM 515 N GLU C 86 12.465 -2.695 81.305 1.00 19.39 N +ATOM 516 CA GLU C 86 11.721 -3.474 80.332 1.00 23.58 C +ATOM 517 C GLU C 86 12.539 -3.871 79.104 1.00 24.28 C +ATOM 518 O GLU C 86 12.250 -4.893 78.471 1.00 24.81 O +ATOM 519 CB GLU C 86 10.437 -2.746 79.925 1.00 30.63 C +ATOM 520 CG GLU C 86 10.654 -1.454 79.151 1.00 38.87 C +ATOM 521 CD GLU C 86 10.172 -1.534 77.703 1.00 43.98 C +ATOM 522 OE1 GLU C 86 9.908 -2.657 77.203 1.00 47.06 O +ATOM 523 OE2 GLU C 86 10.057 -0.462 77.065 1.00 44.19 O +ATOM 524 N PHE C 87 13.562 -3.083 78.771 1.00 20.35 N +ATOM 525 CA PHE C 87 14.401 -3.407 77.633 1.00 17.48 C +ATOM 526 C PHE C 87 14.849 -4.858 77.683 1.00 19.70 C +ATOM 527 O PHE C 87 14.768 -5.565 76.679 1.00 24.04 O +ATOM 528 CB PHE C 87 15.653 -2.523 77.577 1.00 20.80 C +ATOM 529 CG PHE C 87 16.732 -3.070 76.664 1.00 19.87 C +ATOM 530 CD1 PHE C 87 16.562 -3.066 75.285 1.00 16.75 C +ATOM 531 CD2 PHE C 87 17.867 -3.673 77.189 1.00 21.78 C +ATOM 532 CE1 PHE C 87 17.496 -3.660 74.442 1.00 14.50 C +ATOM 533 CE2 PHE C 87 18.802 -4.267 76.354 1.00 21.86 C +ATOM 534 CZ PHE C 87 18.607 -4.259 74.971 1.00 18.05 C +ATOM 535 N TYR C 88 15.251 -5.307 78.872 1.00 18.31 N +ATOM 536 CA TYR C 88 15.775 -6.656 79.066 1.00 16.82 C +ATOM 537 C TYR C 88 14.872 -7.817 78.718 1.00 20.58 C +ATOM 538 O TYR C 88 15.349 -8.942 78.574 1.00 22.41 O +ATOM 539 CB TYR C 88 16.338 -6.813 80.475 1.00 16.20 C +ATOM 540 CG TYR C 88 17.536 -5.923 80.740 1.00 16.28 C +ATOM 541 CD1 TYR C 88 18.757 -6.168 80.100 1.00 16.42 C +ATOM 542 CD2 TYR C 88 17.451 -4.838 81.628 1.00 12.46 C +ATOM 543 CE1 TYR C 88 19.862 -5.360 80.334 1.00 15.48 C +ATOM 544 CE2 TYR C 88 18.547 -4.024 81.873 1.00 12.57 C +ATOM 545 CZ TYR C 88 19.752 -4.294 81.220 1.00 13.45 C +ATOM 546 OH TYR C 88 20.860 -3.519 81.456 1.00 11.60 O +ATOM 547 N TYR C 89 13.576 -7.565 78.587 1.00 22.26 N +ATOM 548 CA TYR C 89 12.652 -8.632 78.218 1.00 26.54 C +ATOM 549 C TYR C 89 11.821 -8.258 77.001 1.00 27.49 C +ATOM 550 O TYR C 89 10.960 -9.013 76.562 1.00 29.42 O +ATOM 551 CB TYR C 89 11.752 -9.044 79.394 1.00 28.60 C +ATOM 552 CG TYR C 89 11.074 -7.913 80.125 1.00 28.68 C +ATOM 553 CD1 TYR C 89 9.842 -7.422 79.706 1.00 27.36 C +ATOM 554 CD2 TYR C 89 11.661 -7.343 81.254 1.00 32.38 C +ATOM 555 CE1 TYR C 89 9.204 -6.383 80.397 1.00 30.27 C +ATOM 556 CE2 TYR C 89 11.037 -6.306 81.951 1.00 33.80 C +ATOM 557 CZ TYR C 89 9.807 -5.829 81.523 1.00 33.28 C +ATOM 558 OH TYR C 89 9.180 -4.822 82.235 1.00 32.37 O +ATOM 559 N ARG C 90 12.133 -7.107 76.425 1.00 28.24 N +ATOM 560 CA ARG C 90 11.432 -6.599 75.258 1.00 27.08 C +ATOM 561 C ARG C 90 11.775 -7.450 74.021 1.00 35.00 C +ATOM 562 O ARG C 90 12.946 -7.634 73.688 1.00 36.41 O +ATOM 563 CB ARG C 90 11.851 -5.150 75.051 1.00 20.93 C +ATOM 564 CG ARG C 90 11.012 -4.367 74.101 1.00 23.50 C +ATOM 565 CD ARG C 90 11.735 -3.069 73.739 1.00 26.74 C +ATOM 566 NE ARG C 90 11.772 -2.071 74.817 1.00 27.01 N +ATOM 567 CZ ARG C 90 12.788 -1.240 75.040 1.00 28.01 C +ATOM 568 NH1 ARG C 90 13.872 -1.290 74.284 1.00 32.01 N +ATOM 569 NH2 ARG C 90 12.693 -0.302 75.967 1.00 26.14 N +ATOM 570 N PRO C 91 10.755 -8.007 73.343 1.00 41.77 N +ATOM 571 CA PRO C 91 10.957 -8.836 72.150 1.00 44.17 C +ATOM 572 C PRO C 91 11.214 -7.982 70.916 1.00 49.11 C +ATOM 573 O PRO C 91 10.839 -6.805 70.878 1.00 47.32 O +ATOM 574 CB PRO C 91 9.620 -9.553 72.020 1.00 43.14 C +ATOM 575 CG PRO C 91 8.649 -8.480 72.420 1.00 43.03 C +ATOM 576 CD PRO C 91 9.317 -7.898 73.664 1.00 43.86 C +ATOM 577 N PRO C 92 11.827 -8.574 69.872 1.00 55.93 N +ATOM 578 CA PRO C 92 12.111 -7.828 68.643 1.00 58.17 C +ATOM 579 C PRO C 92 10.822 -7.417 67.963 1.00 64.61 C +ATOM 580 O PRO C 92 9.752 -7.942 68.284 1.00 64.18 O +ATOM 581 CB PRO C 92 12.883 -8.842 67.803 1.00 55.28 C +ATOM 582 CG PRO C 92 12.298 -10.137 68.224 1.00 55.03 C +ATOM 583 CD PRO C 92 12.244 -9.980 69.727 1.00 56.25 C +ATOM 584 N ARG C 93 10.925 -6.429 67.082 1.00 73.81 N +ATOM 585 CA ARG C 93 9.774 -5.939 66.334 1.00 81.19 C +ATOM 586 C ARG C 93 9.554 -6.825 65.106 1.00 83.50 C +ATOM 587 O ARG C 93 8.404 -6.853 64.594 1.00 85.90 O +ATOM 588 CB ARG C 93 10.001 -4.490 65.891 1.00 84.88 C +ATOM 589 CG ARG C 93 10.041 -3.479 67.018 1.00 87.61 C +ATOM 590 CD ARG C 93 10.036 -2.094 66.418 1.00 89.78 C +ATOM 591 NE ARG C 93 10.029 -1.040 67.429 1.00 90.00 N +ATOM 592 CZ ARG C 93 10.185 0.254 67.162 1.00 90.00 C +ATOM 593 NH1 ARG C 93 10.367 0.662 65.916 1.00 90.00 N +ATOM 594 NH2 ARG C 93 10.223 1.140 68.154 1.00 90.00 N +TER 595 ARG C 93 +END diff --git a/bench/main_benchmark/structures/SFB_ID_P53TAD_2K8FA_2K8FA/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_P53TAD_2K8FA_2K8FA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..18ca8df233f0d4944dac26bfae66bac20984cbf3 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_P53TAD_2K8FA_2K8FA/state_a.pdb @@ -0,0 +1,1415 @@ +MODEL 1 +ATOM 1 N ALA A 1 -18.098 0.120 19.451 1.00 0.00 N +ATOM 2 CA ALA A 1 -17.807 -1.181 20.118 1.00 0.00 C +ATOM 3 C ALA A 1 -17.516 -2.238 19.057 1.00 0.00 C +ATOM 4 O ALA A 1 -17.028 -3.325 19.367 1.00 0.00 O +ATOM 5 CB ALA A 1 -19.014 -1.601 20.958 1.00 0.00 C +ATOM 6 H1 ALA A 1 -18.072 0.885 20.154 1.00 0.00 H +ATOM 7 H2 ALA A 1 -19.043 0.081 19.016 1.00 0.00 H +ATOM 8 H3 ALA A 1 -17.385 0.301 18.717 1.00 0.00 H +ATOM 9 HA ALA A 1 -16.944 -1.070 20.758 1.00 0.00 H +ATOM 10 HB1 ALA A 1 -18.800 -2.537 21.451 1.00 0.00 H +ATOM 11 HB2 ALA A 1 -19.875 -1.721 20.317 1.00 0.00 H +ATOM 12 HB3 ALA A 1 -19.220 -0.843 21.699 1.00 0.00 H +ATOM 13 N THR A 2 -17.824 -1.911 17.807 1.00 0.00 N +ATOM 14 CA THR A 2 -17.595 -2.842 16.705 1.00 0.00 C +ATOM 15 C THR A 2 -16.102 -3.082 16.502 1.00 0.00 C +ATOM 16 O THR A 2 -15.698 -4.164 16.073 1.00 0.00 O +ATOM 17 CB THR A 2 -18.202 -2.287 15.416 1.00 0.00 C +ATOM 18 OG1 THR A 2 -17.659 -1.001 15.153 1.00 0.00 O +ATOM 19 CG2 THR A 2 -19.720 -2.183 15.569 1.00 0.00 C +ATOM 20 H THR A 2 -18.213 -1.032 17.621 1.00 0.00 H +ATOM 21 HA THR A 2 -18.072 -3.781 16.938 1.00 0.00 H +ATOM 22 HB THR A 2 -17.972 -2.949 14.596 1.00 0.00 H +ATOM 23 HG1 THR A 2 -18.307 -0.345 15.421 1.00 0.00 H +ATOM 24 HG21 THR A 2 -20.148 -1.795 14.658 1.00 0.00 H +ATOM 25 HG22 THR A 2 -19.954 -1.522 16.390 1.00 0.00 H +ATOM 26 HG23 THR A 2 -20.129 -3.164 15.770 1.00 0.00 H +ATOM 27 N GLN A 3 -15.295 -2.057 16.797 1.00 0.00 N +ATOM 28 CA GLN A 3 -13.836 -2.132 16.637 1.00 0.00 C +ATOM 29 C GLN A 3 -13.319 -3.560 16.810 1.00 0.00 C +ATOM 30 O GLN A 3 -13.691 -4.256 17.756 1.00 0.00 O +ATOM 31 CB GLN A 3 -13.161 -1.224 17.669 1.00 0.00 C +ATOM 32 CG GLN A 3 -13.499 0.237 17.364 1.00 0.00 C +ATOM 33 CD GLN A 3 -12.859 1.148 18.407 1.00 0.00 C +ATOM 34 OE1 GLN A 3 -13.200 1.079 19.588 1.00 0.00 O +ATOM 35 NE2 GLN A 3 -11.946 2.006 18.037 1.00 0.00 N +ATOM 36 H GLN A 3 -15.693 -1.220 17.114 1.00 0.00 H +ATOM 37 HA GLN A 3 -13.573 -1.781 15.649 1.00 0.00 H +ATOM 38 HB2 GLN A 3 -13.514 -1.477 18.658 1.00 0.00 H +ATOM 39 HB3 GLN A 3 -12.091 -1.360 17.623 1.00 0.00 H +ATOM 40 HG2 GLN A 3 -13.126 0.495 16.384 1.00 0.00 H +ATOM 41 HG3 GLN A 3 -14.570 0.369 17.386 1.00 0.00 H +ATOM 42 HE21 GLN A 3 -11.677 2.059 17.096 1.00 0.00 H +ATOM 43 HE22 GLN A 3 -11.529 2.593 18.701 1.00 0.00 H +ATOM 44 N SER A 4 -12.473 -3.987 15.883 1.00 0.00 N +ATOM 45 CA SER A 4 -11.919 -5.332 15.923 1.00 0.00 C +ATOM 46 C SER A 4 -10.759 -5.436 14.937 1.00 0.00 C +ATOM 47 O SER A 4 -10.408 -4.452 14.286 1.00 0.00 O +ATOM 48 CB SER A 4 -13.030 -6.342 15.587 1.00 0.00 C +ATOM 49 OG SER A 4 -12.964 -7.438 16.489 1.00 0.00 O +ATOM 50 H SER A 4 -12.223 -3.387 15.148 1.00 0.00 H +ATOM 51 HA SER A 4 -11.550 -5.531 16.912 1.00 0.00 H +ATOM 52 HB2 SER A 4 -13.989 -5.863 15.694 1.00 0.00 H +ATOM 53 HB3 SER A 4 -12.925 -6.691 14.567 1.00 0.00 H +ATOM 54 HG SER A 4 -12.920 -7.084 17.381 1.00 0.00 H +ATOM 55 N PRO A 5 -10.168 -6.592 14.793 1.00 0.00 N +ATOM 56 CA PRO A 5 -9.049 -6.781 13.840 1.00 0.00 C +ATOM 57 C PRO A 5 -9.503 -6.344 12.474 1.00 0.00 C +ATOM 58 O PRO A 5 -8.742 -5.789 11.690 1.00 0.00 O +ATOM 59 CB PRO A 5 -8.761 -8.285 13.906 1.00 0.00 C +ATOM 60 CG PRO A 5 -9.224 -8.663 15.265 1.00 0.00 C +ATOM 61 CD PRO A 5 -10.486 -7.838 15.492 1.00 0.00 C +ATOM 62 HA PRO A 5 -8.186 -6.224 14.157 1.00 0.00 H +ATOM 63 HB2 PRO A 5 -9.326 -8.818 13.149 1.00 0.00 H +ATOM 64 HB3 PRO A 5 -7.704 -8.480 13.801 1.00 0.00 H +ATOM 65 HG2 PRO A 5 -9.441 -9.723 15.314 1.00 0.00 H +ATOM 66 HG3 PRO A 5 -8.477 -8.388 15.996 1.00 0.00 H +ATOM 67 HD2 PRO A 5 -11.342 -8.322 15.036 1.00 0.00 H +ATOM 68 HD3 PRO A 5 -10.645 -7.655 16.542 1.00 0.00 H +ATOM 69 N GLY A 6 -10.780 -6.572 12.223 1.00 0.00 N +ATOM 70 CA GLY A 6 -11.369 -6.175 10.969 1.00 0.00 C +ATOM 71 C GLY A 6 -11.191 -4.675 10.803 1.00 0.00 C +ATOM 72 O GLY A 6 -10.975 -4.175 9.702 1.00 0.00 O +ATOM 73 H GLY A 6 -11.338 -6.998 12.908 1.00 0.00 H +ATOM 74 HA2 GLY A 6 -10.887 -6.700 10.159 1.00 0.00 H +ATOM 75 HA3 GLY A 6 -12.422 -6.407 10.986 1.00 0.00 H +ATOM 76 N ASP A 7 -11.240 -3.968 11.927 1.00 0.00 N +ATOM 77 CA ASP A 7 -11.050 -2.524 11.929 1.00 0.00 C +ATOM 78 C ASP A 7 -9.561 -2.219 11.907 1.00 0.00 C +ATOM 79 O ASP A 7 -9.129 -1.187 11.392 1.00 0.00 O +ATOM 80 CB ASP A 7 -11.691 -1.902 13.171 1.00 0.00 C +ATOM 81 CG ASP A 7 -11.724 -0.383 13.035 1.00 0.00 C +ATOM 82 OD1 ASP A 7 -10.902 0.144 12.303 1.00 0.00 O +ATOM 83 OD2 ASP A 7 -12.570 0.230 13.665 1.00 0.00 O +ATOM 84 H ASP A 7 -11.367 -4.436 12.779 1.00 0.00 H +ATOM 85 HA ASP A 7 -11.507 -2.104 11.046 1.00 0.00 H +ATOM 86 HB2 ASP A 7 -12.700 -2.275 13.276 1.00 0.00 H +ATOM 87 HB3 ASP A 7 -11.116 -2.170 14.044 1.00 0.00 H +ATOM 88 N SER A 8 -8.781 -3.148 12.445 1.00 0.00 N +ATOM 89 CA SER A 8 -7.336 -3.006 12.463 1.00 0.00 C +ATOM 90 C SER A 8 -6.804 -3.212 11.055 1.00 0.00 C +ATOM 91 O SER A 8 -5.856 -2.554 10.626 1.00 0.00 O +ATOM 92 CB SER A 8 -6.709 -4.017 13.428 1.00 0.00 C +ATOM 93 OG SER A 8 -5.406 -3.577 13.788 1.00 0.00 O +ATOM 94 H SER A 8 -9.187 -3.961 12.804 1.00 0.00 H +ATOM 95 HA SER A 8 -7.090 -2.009 12.780 1.00 0.00 H +ATOM 96 HB2 SER A 8 -7.313 -4.096 14.318 1.00 0.00 H +ATOM 97 HB3 SER A 8 -6.653 -4.986 12.949 1.00 0.00 H +ATOM 98 HG SER A 8 -5.500 -2.790 14.331 1.00 0.00 H +ATOM 99 N ARG A 9 -7.455 -4.117 10.337 1.00 0.00 N +ATOM 100 CA ARG A 9 -7.095 -4.405 8.965 1.00 0.00 C +ATOM 101 C ARG A 9 -7.447 -3.211 8.103 1.00 0.00 C +ATOM 102 O ARG A 9 -6.719 -2.847 7.179 1.00 0.00 O +ATOM 103 CB ARG A 9 -7.814 -5.666 8.467 1.00 0.00 C +ATOM 104 CG ARG A 9 -7.216 -6.900 9.145 1.00 0.00 C +ATOM 105 CD ARG A 9 -7.955 -8.152 8.667 1.00 0.00 C +ATOM 106 NE ARG A 9 -7.397 -9.343 9.297 1.00 0.00 N +ATOM 107 CZ ARG A 9 -7.688 -10.559 8.844 1.00 0.00 C +ATOM 108 NH1 ARG A 9 -8.484 -10.701 7.820 1.00 0.00 N +ATOM 109 NH2 ARG A 9 -7.178 -11.611 9.424 1.00 0.00 N +ATOM 110 H ARG A 9 -8.216 -4.571 10.732 1.00 0.00 H +ATOM 111 HA ARG A 9 -6.043 -4.559 8.920 1.00 0.00 H +ATOM 112 HB2 ARG A 9 -8.864 -5.600 8.710 1.00 0.00 H +ATOM 113 HB3 ARG A 9 -7.695 -5.754 7.399 1.00 0.00 H +ATOM 114 HG2 ARG A 9 -6.170 -6.979 8.889 1.00 0.00 H +ATOM 115 HG3 ARG A 9 -7.317 -6.812 10.214 1.00 0.00 H +ATOM 116 HD2 ARG A 9 -9.000 -8.071 8.925 1.00 0.00 H +ATOM 117 HD3 ARG A 9 -7.859 -8.234 7.594 1.00 0.00 H +ATOM 118 HE ARG A 9 -6.799 -9.246 10.067 1.00 0.00 H +ATOM 119 HH11 ARG A 9 -8.876 -9.895 7.377 1.00 0.00 H +ATOM 120 HH12 ARG A 9 -8.704 -11.615 7.480 1.00 0.00 H +ATOM 121 HH21 ARG A 9 -6.568 -11.503 10.209 1.00 0.00 H +ATOM 122 HH22 ARG A 9 -7.396 -12.526 9.083 1.00 0.00 H +ATOM 123 N ARG A 10 -8.561 -2.589 8.444 1.00 0.00 N +ATOM 124 CA ARG A 10 -9.011 -1.398 7.733 1.00 0.00 C +ATOM 125 C ARG A 10 -8.103 -0.228 8.076 1.00 0.00 C +ATOM 126 O ARG A 10 -7.830 0.637 7.248 1.00 0.00 O +ATOM 127 CB ARG A 10 -10.471 -1.071 8.056 1.00 0.00 C +ATOM 128 CG ARG A 10 -11.398 -2.114 7.406 1.00 0.00 C +ATOM 129 CD ARG A 10 -11.375 -1.990 5.873 1.00 0.00 C +ATOM 130 NE ARG A 10 -12.628 -2.498 5.319 1.00 0.00 N +ATOM 131 CZ ARG A 10 -12.818 -3.803 5.132 1.00 0.00 C +ATOM 132 NH1 ARG A 10 -11.876 -4.649 5.452 1.00 0.00 N +ATOM 133 NH2 ARG A 10 -13.942 -4.238 4.632 1.00 0.00 N +ATOM 134 H ARG A 10 -9.062 -2.917 9.219 1.00 0.00 H +ATOM 135 HA ARG A 10 -8.921 -1.585 6.679 1.00 0.00 H +ATOM 136 HB2 ARG A 10 -10.611 -1.087 9.128 1.00 0.00 H +ATOM 137 HB3 ARG A 10 -10.714 -0.090 7.678 1.00 0.00 H +ATOM 138 HG2 ARG A 10 -11.069 -3.101 7.681 1.00 0.00 H +ATOM 139 HG3 ARG A 10 -12.408 -1.962 7.758 1.00 0.00 H +ATOM 140 HD2 ARG A 10 -11.249 -0.956 5.590 1.00 0.00 H +ATOM 141 HD3 ARG A 10 -10.554 -2.570 5.473 1.00 0.00 H +ATOM 142 HE ARG A 10 -13.341 -1.869 5.082 1.00 0.00 H +ATOM 143 HH11 ARG A 10 -11.015 -4.317 5.838 1.00 0.00 H +ATOM 144 HH12 ARG A 10 -12.017 -5.629 5.314 1.00 0.00 H +ATOM 145 HH21 ARG A 10 -14.665 -3.591 4.390 1.00 0.00 H +ATOM 146 HH22 ARG A 10 -14.082 -5.218 4.495 1.00 0.00 H +ATOM 147 N LEU A 11 -7.619 -0.228 9.307 1.00 0.00 N +ATOM 148 CA LEU A 11 -6.705 0.807 9.757 1.00 0.00 C +ATOM 149 C LEU A 11 -5.324 0.520 9.183 1.00 0.00 C +ATOM 150 O LEU A 11 -4.533 1.433 8.948 1.00 0.00 O +ATOM 151 CB LEU A 11 -6.646 0.842 11.294 1.00 0.00 C +ATOM 152 CG LEU A 11 -7.835 1.657 11.859 1.00 0.00 C +ATOM 153 CD1 LEU A 11 -8.199 1.180 13.277 1.00 0.00 C +ATOM 154 CD2 LEU A 11 -7.462 3.144 11.920 1.00 0.00 C +ATOM 155 H LEU A 11 -7.851 -0.961 9.909 1.00 0.00 H +ATOM 156 HA LEU A 11 -7.042 1.763 9.387 1.00 0.00 H +ATOM 157 HB2 LEU A 11 -6.690 -0.163 11.662 1.00 0.00 H +ATOM 158 HB3 LEU A 11 -5.715 1.286 11.609 1.00 0.00 H +ATOM 159 HG LEU A 11 -8.696 1.531 11.217 1.00 0.00 H +ATOM 160 HD11 LEU A 11 -7.357 1.323 13.941 1.00 0.00 H +ATOM 161 HD12 LEU A 11 -8.465 0.133 13.252 1.00 0.00 H +ATOM 162 HD13 LEU A 11 -9.041 1.753 13.640 1.00 0.00 H +ATOM 163 HD21 LEU A 11 -6.634 3.280 12.600 1.00 0.00 H +ATOM 164 HD22 LEU A 11 -8.311 3.713 12.272 1.00 0.00 H +ATOM 165 HD23 LEU A 11 -7.181 3.489 10.938 1.00 0.00 H +ATOM 166 N SER A 12 -5.044 -0.763 8.952 1.00 0.00 N +ATOM 167 CA SER A 12 -3.756 -1.147 8.398 1.00 0.00 C +ATOM 168 C SER A 12 -3.617 -0.587 6.994 1.00 0.00 C +ATOM 169 O SER A 12 -2.600 0.019 6.653 1.00 0.00 O +ATOM 170 CB SER A 12 -3.618 -2.669 8.361 1.00 0.00 C +ATOM 171 OG SER A 12 -2.489 -3.018 7.570 1.00 0.00 O +ATOM 172 H SER A 12 -5.720 -1.456 9.143 1.00 0.00 H +ATOM 173 HA SER A 12 -2.970 -0.736 9.015 1.00 0.00 H +ATOM 174 HB2 SER A 12 -3.482 -3.045 9.360 1.00 0.00 H +ATOM 175 HB3 SER A 12 -4.512 -3.099 7.935 1.00 0.00 H +ATOM 176 HG SER A 12 -1.769 -2.429 7.806 1.00 0.00 H +ATOM 177 N ILE A 13 -4.651 -0.782 6.176 1.00 0.00 N +ATOM 178 CA ILE A 13 -4.612 -0.278 4.817 1.00 0.00 C +ATOM 179 C ILE A 13 -4.753 1.245 4.784 1.00 0.00 C +ATOM 180 O ILE A 13 -4.276 1.886 3.855 1.00 0.00 O +ATOM 181 CB ILE A 13 -5.704 -0.916 3.954 1.00 0.00 C +ATOM 182 CG1 ILE A 13 -7.078 -0.460 4.439 1.00 0.00 C +ATOM 183 CG2 ILE A 13 -5.607 -2.448 4.009 1.00 0.00 C +ATOM 184 CD1 ILE A 13 -8.172 -1.219 3.690 1.00 0.00 C +ATOM 185 H ILE A 13 -5.440 -1.271 6.491 1.00 0.00 H +ATOM 186 HA ILE A 13 -3.657 -0.537 4.402 1.00 0.00 H +ATOM 187 HB ILE A 13 -5.566 -0.596 2.941 1.00 0.00 H +ATOM 188 HG12 ILE A 13 -7.159 -0.653 5.487 1.00 0.00 H +ATOM 189 HG13 ILE A 13 -7.194 0.598 4.257 1.00 0.00 H +ATOM 190 HG21 ILE A 13 -4.569 -2.748 3.991 1.00 0.00 H +ATOM 191 HG22 ILE A 13 -6.115 -2.868 3.152 1.00 0.00 H +ATOM 192 HG23 ILE A 13 -6.072 -2.813 4.912 1.00 0.00 H +ATOM 193 HD11 ILE A 13 -9.121 -0.729 3.847 1.00 0.00 H +ATOM 194 HD12 ILE A 13 -8.225 -2.232 4.061 1.00 0.00 H +ATOM 195 HD13 ILE A 13 -7.944 -1.233 2.635 1.00 0.00 H +ATOM 196 N GLN A 14 -5.410 1.819 5.793 1.00 0.00 N +ATOM 197 CA GLN A 14 -5.603 3.245 5.869 1.00 0.00 C +ATOM 198 C GLN A 14 -4.253 3.943 5.985 1.00 0.00 C +ATOM 199 O GLN A 14 -3.999 4.950 5.334 1.00 0.00 O +ATOM 200 CB GLN A 14 -6.456 3.563 7.092 1.00 0.00 C +ATOM 201 CG GLN A 14 -6.794 5.039 7.072 1.00 0.00 C +ATOM 202 CD GLN A 14 -7.749 5.382 8.209 1.00 0.00 C +ATOM 203 OE1 GLN A 14 -8.439 4.504 8.728 1.00 0.00 O +ATOM 204 NE2 GLN A 14 -7.832 6.615 8.629 1.00 0.00 N +ATOM 205 H GLN A 14 -5.770 1.279 6.500 1.00 0.00 H +ATOM 206 HA GLN A 14 -6.119 3.585 4.989 1.00 0.00 H +ATOM 207 HB2 GLN A 14 -7.366 2.979 7.062 1.00 0.00 H +ATOM 208 HB3 GLN A 14 -5.905 3.332 7.990 1.00 0.00 H +ATOM 209 HG2 GLN A 14 -5.885 5.606 7.177 1.00 0.00 H +ATOM 210 HG3 GLN A 14 -7.259 5.275 6.131 1.00 0.00 H +ATOM 211 HE21 GLN A 14 -7.282 7.312 8.214 1.00 0.00 H +ATOM 212 HE22 GLN A 14 -8.446 6.844 9.358 1.00 0.00 H +ATOM 213 N ARG A 15 -3.381 3.361 6.800 1.00 0.00 N +ATOM 214 CA ARG A 15 -2.037 3.880 6.994 1.00 0.00 C +ATOM 215 C ARG A 15 -1.219 3.646 5.741 1.00 0.00 C +ATOM 216 O ARG A 15 -0.446 4.507 5.316 1.00 0.00 O +ATOM 217 CB ARG A 15 -1.370 3.197 8.193 1.00 0.00 C +ATOM 218 CG ARG A 15 -2.008 3.699 9.489 1.00 0.00 C +ATOM 219 CD ARG A 15 -1.371 2.987 10.686 1.00 0.00 C +ATOM 220 NE ARG A 15 -1.916 3.514 11.935 1.00 0.00 N +ATOM 221 CZ ARG A 15 -1.567 2.999 13.111 1.00 0.00 C +ATOM 222 NH1 ARG A 15 -0.732 1.997 13.162 1.00 0.00 N +ATOM 223 NH2 ARG A 15 -2.058 3.496 14.212 1.00 0.00 N +ATOM 224 H ARG A 15 -3.638 2.542 7.251 1.00 0.00 H +ATOM 225 HA ARG A 15 -2.093 4.942 7.179 1.00 0.00 H +ATOM 226 HB2 ARG A 15 -1.509 2.128 8.118 1.00 0.00 H +ATOM 227 HB3 ARG A 15 -0.314 3.425 8.200 1.00 0.00 H +ATOM 228 HG2 ARG A 15 -1.850 4.763 9.577 1.00 0.00 H +ATOM 229 HG3 ARG A 15 -3.067 3.492 9.472 1.00 0.00 H +ATOM 230 HD2 ARG A 15 -1.581 1.930 10.627 1.00 0.00 H +ATOM 231 HD3 ARG A 15 -0.302 3.140 10.667 1.00 0.00 H +ATOM 232 HE ARG A 15 -2.546 4.263 11.906 1.00 0.00 H +ATOM 233 HH11 ARG A 15 -0.356 1.615 12.319 1.00 0.00 H +ATOM 234 HH12 ARG A 15 -0.470 1.610 14.047 1.00 0.00 H +ATOM 235 HH21 ARG A 15 -2.696 4.265 14.173 1.00 0.00 H +ATOM 236 HH22 ARG A 15 -1.796 3.110 15.096 1.00 0.00 H +ATOM 237 N ALA A 16 -1.422 2.487 5.126 1.00 0.00 N +ATOM 238 CA ALA A 16 -0.721 2.176 3.899 1.00 0.00 C +ATOM 239 C ALA A 16 -1.256 3.085 2.820 1.00 0.00 C +ATOM 240 O ALA A 16 -0.503 3.616 2.012 1.00 0.00 O +ATOM 241 CB ALA A 16 -0.931 0.714 3.506 1.00 0.00 C +ATOM 242 H ALA A 16 -2.080 1.856 5.482 1.00 0.00 H +ATOM 243 HA ALA A 16 0.336 2.367 4.035 1.00 0.00 H +ATOM 244 HB1 ALA A 16 -0.772 0.081 4.366 1.00 0.00 H +ATOM 245 HB2 ALA A 16 -0.230 0.448 2.728 1.00 0.00 H +ATOM 246 HB3 ALA A 16 -1.939 0.581 3.141 1.00 0.00 H +ATOM 247 N ILE A 17 -2.571 3.278 2.846 1.00 0.00 N +ATOM 248 CA ILE A 17 -3.237 4.150 1.900 1.00 0.00 C +ATOM 249 C ILE A 17 -2.749 5.569 2.110 1.00 0.00 C +ATOM 250 O ILE A 17 -2.383 6.254 1.164 1.00 0.00 O +ATOM 251 CB ILE A 17 -4.756 4.065 2.141 1.00 0.00 C +ATOM 252 CG1 ILE A 17 -5.317 2.745 1.524 1.00 0.00 C +ATOM 253 CG2 ILE A 17 -5.503 5.309 1.592 1.00 0.00 C +ATOM 254 CD1 ILE A 17 -6.146 3.008 0.258 1.00 0.00 C +ATOM 255 H ILE A 17 -3.103 2.836 3.536 1.00 0.00 H +ATOM 256 HA ILE A 17 -3.011 3.831 0.901 1.00 0.00 H +ATOM 257 HB ILE A 17 -4.899 4.039 3.205 1.00 0.00 H +ATOM 258 HG12 ILE A 17 -4.502 2.084 1.270 1.00 0.00 H +ATOM 259 HG13 ILE A 17 -5.940 2.254 2.254 1.00 0.00 H +ATOM 260 HG21 ILE A 17 -6.569 5.145 1.664 1.00 0.00 H +ATOM 261 HG22 ILE A 17 -5.239 5.481 0.560 1.00 0.00 H +ATOM 262 HG23 ILE A 17 -5.241 6.179 2.180 1.00 0.00 H +ATOM 263 HD11 ILE A 17 -5.588 3.645 -0.417 1.00 0.00 H +ATOM 264 HD12 ILE A 17 -7.071 3.494 0.532 1.00 0.00 H +ATOM 265 HD13 ILE A 17 -6.365 2.068 -0.226 1.00 0.00 H +ATOM 266 N GLN A 18 -2.726 6.007 3.362 1.00 0.00 N +ATOM 267 CA GLN A 18 -2.268 7.355 3.642 1.00 0.00 C +ATOM 268 C GLN A 18 -0.909 7.587 2.995 1.00 0.00 C +ATOM 269 O GLN A 18 -0.639 8.674 2.494 1.00 0.00 O +ATOM 270 CB GLN A 18 -2.204 7.609 5.158 1.00 0.00 C +ATOM 271 CG GLN A 18 -3.599 7.970 5.689 1.00 0.00 C +ATOM 272 CD GLN A 18 -3.583 8.020 7.213 1.00 0.00 C +ATOM 273 OE1 GLN A 18 -3.366 7.000 7.865 1.00 0.00 O +ATOM 274 NE2 GLN A 18 -3.804 9.153 7.822 1.00 0.00 N +ATOM 275 H GLN A 18 -3.016 5.420 4.101 1.00 0.00 H +ATOM 276 HA GLN A 18 -2.971 8.048 3.202 1.00 0.00 H +ATOM 277 HB2 GLN A 18 -1.851 6.717 5.655 1.00 0.00 H +ATOM 278 HB3 GLN A 18 -1.525 8.425 5.360 1.00 0.00 H +ATOM 279 HG2 GLN A 18 -3.885 8.939 5.307 1.00 0.00 H +ATOM 280 HG3 GLN A 18 -4.315 7.236 5.362 1.00 0.00 H +ATOM 281 HE21 GLN A 18 -3.979 9.964 7.301 1.00 0.00 H +ATOM 282 HE22 GLN A 18 -3.795 9.193 8.802 1.00 0.00 H +ATOM 283 N SER A 19 -0.063 6.559 2.968 1.00 0.00 N +ATOM 284 CA SER A 19 1.244 6.702 2.333 1.00 0.00 C +ATOM 285 C SER A 19 1.150 6.372 0.854 1.00 0.00 C +ATOM 286 O SER A 19 1.749 7.052 0.034 1.00 0.00 O +ATOM 287 CB SER A 19 2.287 5.811 3.015 1.00 0.00 C +ATOM 288 OG SER A 19 3.567 6.081 2.459 1.00 0.00 O +ATOM 289 H SER A 19 -0.333 5.692 3.340 1.00 0.00 H +ATOM 290 HA SER A 19 1.559 7.740 2.412 1.00 0.00 H +ATOM 291 HB2 SER A 19 2.310 6.022 4.071 1.00 0.00 H +ATOM 292 HB3 SER A 19 2.032 4.770 2.864 1.00 0.00 H +ATOM 293 HG SER A 19 3.441 6.389 1.558 1.00 0.00 H +ATOM 294 N LEU A 20 0.394 5.345 0.496 1.00 0.00 N +ATOM 295 CA LEU A 20 0.268 5.016 -0.918 1.00 0.00 C +ATOM 296 C LEU A 20 -0.412 6.164 -1.654 1.00 0.00 C +ATOM 297 O LEU A 20 0.096 6.642 -2.666 1.00 0.00 O +ATOM 298 CB LEU A 20 -0.488 3.673 -1.075 1.00 0.00 C +ATOM 299 CG LEU A 20 -1.373 3.595 -2.346 1.00 0.00 C +ATOM 300 CD1 LEU A 20 -0.506 3.449 -3.598 1.00 0.00 C +ATOM 301 CD2 LEU A 20 -2.283 2.366 -2.241 1.00 0.00 C +ATOM 302 H LEU A 20 -0.090 4.820 1.175 1.00 0.00 H +ATOM 303 HA LEU A 20 1.265 4.910 -1.320 1.00 0.00 H +ATOM 304 HB2 LEU A 20 0.238 2.882 -1.122 1.00 0.00 H +ATOM 305 HB3 LEU A 20 -1.101 3.524 -0.208 1.00 0.00 H +ATOM 306 HG LEU A 20 -1.990 4.479 -2.431 1.00 0.00 H +ATOM 307 HD11 LEU A 20 0.010 4.371 -3.792 1.00 0.00 H +ATOM 308 HD12 LEU A 20 -1.136 3.209 -4.443 1.00 0.00 H +ATOM 309 HD13 LEU A 20 0.210 2.655 -3.450 1.00 0.00 H +ATOM 310 HD21 LEU A 20 -2.874 2.277 -3.141 1.00 0.00 H +ATOM 311 HD22 LEU A 20 -2.938 2.472 -1.390 1.00 0.00 H +ATOM 312 HD23 LEU A 20 -1.678 1.484 -2.120 1.00 0.00 H +ATOM 313 N VAL A 21 -1.552 6.613 -1.141 1.00 0.00 N +ATOM 314 CA VAL A 21 -2.259 7.711 -1.782 1.00 0.00 C +ATOM 315 C VAL A 21 -1.378 8.963 -1.752 1.00 0.00 C +ATOM 316 O VAL A 21 -1.241 9.645 -2.763 1.00 0.00 O +ATOM 317 CB VAL A 21 -3.624 7.977 -1.082 1.00 0.00 C +ATOM 318 CG1 VAL A 21 -4.083 9.436 -1.264 1.00 0.00 C +ATOM 319 CG2 VAL A 21 -4.698 7.044 -1.656 1.00 0.00 C +ATOM 320 H VAL A 21 -1.917 6.204 -0.333 1.00 0.00 H +ATOM 321 HA VAL A 21 -2.439 7.434 -2.813 1.00 0.00 H +ATOM 322 HB VAL A 21 -3.522 7.785 -0.033 1.00 0.00 H +ATOM 323 HG11 VAL A 21 -5.115 9.525 -0.959 1.00 0.00 H +ATOM 324 HG12 VAL A 21 -3.989 9.725 -2.300 1.00 0.00 H +ATOM 325 HG13 VAL A 21 -3.472 10.085 -0.652 1.00 0.00 H +ATOM 326 HG21 VAL A 21 -4.355 6.020 -1.602 1.00 0.00 H +ATOM 327 HG22 VAL A 21 -4.890 7.304 -2.686 1.00 0.00 H +ATOM 328 HG23 VAL A 21 -5.608 7.149 -1.083 1.00 0.00 H +ATOM 329 N HIS A 22 -0.782 9.262 -0.593 1.00 0.00 N +ATOM 330 CA HIS A 22 0.069 10.446 -0.484 1.00 0.00 C +ATOM 331 C HIS A 22 1.356 10.284 -1.284 1.00 0.00 C +ATOM 332 O HIS A 22 1.716 11.155 -2.068 1.00 0.00 O +ATOM 333 CB HIS A 22 0.393 10.755 0.980 1.00 0.00 C +ATOM 334 CG HIS A 22 1.035 12.112 1.068 1.00 0.00 C +ATOM 335 ND1 HIS A 22 0.398 13.251 0.602 1.00 0.00 N +ATOM 336 CD2 HIS A 22 2.239 12.539 1.575 1.00 0.00 C +ATOM 337 CE1 HIS A 22 1.209 14.297 0.835 1.00 0.00 C +ATOM 338 NE2 HIS A 22 2.346 13.919 1.425 1.00 0.00 N +ATOM 339 H HIS A 22 -0.915 8.685 0.187 1.00 0.00 H +ATOM 340 HA HIS A 22 -0.469 11.275 -0.889 1.00 0.00 H +ATOM 341 HB2 HIS A 22 -0.521 10.759 1.554 1.00 0.00 H +ATOM 342 HB3 HIS A 22 1.068 10.008 1.371 1.00 0.00 H +ATOM 343 HD1 HIS A 22 -0.485 13.285 0.178 1.00 0.00 H +ATOM 344 HD2 HIS A 22 2.986 11.905 2.026 1.00 0.00 H +ATOM 345 HE1 HIS A 22 0.968 15.317 0.581 1.00 0.00 H +ATOM 346 N ALA A 23 2.043 9.169 -1.083 1.00 0.00 N +ATOM 347 CA ALA A 23 3.292 8.915 -1.800 1.00 0.00 C +ATOM 348 C ALA A 23 3.056 8.807 -3.302 1.00 0.00 C +ATOM 349 O ALA A 23 3.948 9.098 -4.098 1.00 0.00 O +ATOM 350 CB ALA A 23 3.940 7.619 -1.309 1.00 0.00 C +ATOM 351 H ALA A 23 1.711 8.514 -0.436 1.00 0.00 H +ATOM 352 HA ALA A 23 3.973 9.731 -1.616 1.00 0.00 H +ATOM 353 HB1 ALA A 23 3.980 7.622 -0.233 1.00 0.00 H +ATOM 354 HB2 ALA A 23 4.942 7.547 -1.705 1.00 0.00 H +ATOM 355 HB3 ALA A 23 3.360 6.773 -1.648 1.00 0.00 H +ATOM 356 N ALA A 24 1.861 8.375 -3.695 1.00 0.00 N +ATOM 357 CA ALA A 24 1.548 8.226 -5.112 1.00 0.00 C +ATOM 358 C ALA A 24 0.961 9.506 -5.683 1.00 0.00 C +ATOM 359 O ALA A 24 0.700 9.591 -6.868 1.00 0.00 O +ATOM 360 CB ALA A 24 0.561 7.087 -5.292 1.00 0.00 C +ATOM 361 H ALA A 24 1.174 8.149 -3.027 1.00 0.00 H +ATOM 362 HA ALA A 24 2.452 7.990 -5.654 1.00 0.00 H +ATOM 363 HB1 ALA A 24 0.426 6.896 -6.342 1.00 0.00 H +ATOM 364 HB2 ALA A 24 -0.383 7.362 -4.844 1.00 0.00 H +ATOM 365 HB3 ALA A 24 0.948 6.205 -4.810 1.00 0.00 H +ATOM 366 N GLN A 25 0.758 10.494 -4.823 1.00 0.00 N +ATOM 367 CA GLN A 25 0.208 11.787 -5.217 1.00 0.00 C +ATOM 368 C GLN A 25 1.220 12.886 -4.961 1.00 0.00 C +ATOM 369 O GLN A 25 1.277 13.879 -5.687 1.00 0.00 O +ATOM 370 CB GLN A 25 -1.036 12.043 -4.376 1.00 0.00 C +ATOM 371 CG GLN A 25 -2.158 11.093 -4.798 1.00 0.00 C +ATOM 372 CD GLN A 25 -2.974 11.689 -5.919 1.00 0.00 C +ATOM 373 OE1 GLN A 25 -3.142 12.905 -6.010 1.00 0.00 O +ATOM 374 NE2 GLN A 25 -3.494 10.882 -6.774 1.00 0.00 N +ATOM 375 H GLN A 25 0.985 10.356 -3.898 1.00 0.00 H +ATOM 376 HA GLN A 25 -0.037 11.788 -6.270 1.00 0.00 H +ATOM 377 HB2 GLN A 25 -0.788 11.859 -3.339 1.00 0.00 H +ATOM 378 HB3 GLN A 25 -1.353 13.068 -4.494 1.00 0.00 H +ATOM 379 HG2 GLN A 25 -1.729 10.162 -5.153 1.00 0.00 H +ATOM 380 HG3 GLN A 25 -2.806 10.897 -3.956 1.00 0.00 H +ATOM 381 HE21 GLN A 25 -3.353 9.917 -6.676 1.00 0.00 H +ATOM 382 HE22 GLN A 25 -4.002 11.229 -7.524 1.00 0.00 H +ATOM 383 N CYS A 26 2.042 12.688 -3.938 1.00 0.00 N +ATOM 384 CA CYS A 26 3.082 13.654 -3.611 1.00 0.00 C +ATOM 385 C CYS A 26 4.403 13.127 -4.129 1.00 0.00 C +ATOM 386 O CYS A 26 5.199 12.553 -3.384 1.00 0.00 O +ATOM 387 CB CYS A 26 3.159 13.867 -2.098 1.00 0.00 C +ATOM 388 SG CYS A 26 4.396 15.136 -1.732 1.00 0.00 S +ATOM 389 H CYS A 26 1.974 11.861 -3.424 1.00 0.00 H +ATOM 390 HA CYS A 26 2.873 14.599 -4.095 1.00 0.00 H +ATOM 391 HB2 CYS A 26 2.195 14.186 -1.730 1.00 0.00 H +ATOM 392 HB3 CYS A 26 3.439 12.940 -1.618 1.00 0.00 H +ATOM 393 HG CYS A 26 4.689 15.012 -0.826 1.00 0.00 H +ATOM 394 N ARG A 27 4.623 13.322 -5.420 1.00 0.00 N +ATOM 395 CA ARG A 27 5.840 12.863 -6.062 1.00 0.00 C +ATOM 396 C ARG A 27 6.919 13.929 -5.879 1.00 0.00 C +ATOM 397 O ARG A 27 7.539 14.402 -6.829 1.00 0.00 O +ATOM 398 CB ARG A 27 5.531 12.572 -7.544 1.00 0.00 C +ATOM 399 CG ARG A 27 6.771 12.039 -8.296 1.00 0.00 C +ATOM 400 CD ARG A 27 6.958 10.541 -8.026 1.00 0.00 C +ATOM 401 NE ARG A 27 8.110 10.041 -8.773 1.00 0.00 N +ATOM 402 CZ ARG A 27 9.342 10.123 -8.277 1.00 0.00 C +ATOM 403 NH1 ARG A 27 9.539 10.659 -7.102 1.00 0.00 N +ATOM 404 NH2 ARG A 27 10.354 9.672 -8.964 1.00 0.00 N +ATOM 405 H ARG A 27 3.938 13.771 -5.959 1.00 0.00 H +ATOM 406 HA ARG A 27 6.164 11.947 -5.589 1.00 0.00 H +ATOM 407 HB2 ARG A 27 4.747 11.829 -7.591 1.00 0.00 H +ATOM 408 HB3 ARG A 27 5.174 13.473 -8.019 1.00 0.00 H +ATOM 409 HG2 ARG A 27 6.636 12.191 -9.356 1.00 0.00 H +ATOM 410 HG3 ARG A 27 7.653 12.560 -7.978 1.00 0.00 H +ATOM 411 HD2 ARG A 27 7.119 10.378 -6.971 1.00 0.00 H +ATOM 412 HD3 ARG A 27 6.072 10.008 -8.338 1.00 0.00 H +ATOM 413 HE ARG A 27 7.973 9.641 -9.656 1.00 0.00 H +ATOM 414 HH11 ARG A 27 8.764 11.008 -6.575 1.00 0.00 H +ATOM 415 HH12 ARG A 27 10.465 10.719 -6.729 1.00 0.00 H +ATOM 416 HH21 ARG A 27 10.205 9.264 -9.865 1.00 0.00 H +ATOM 417 HH22 ARG A 27 11.280 9.733 -8.589 1.00 0.00 H +ATOM 418 N ASN A 28 7.113 14.323 -4.625 1.00 0.00 N +ATOM 419 CA ASN A 28 8.104 15.337 -4.301 1.00 0.00 C +ATOM 420 C ASN A 28 9.515 14.783 -4.488 1.00 0.00 C +ATOM 421 O ASN A 28 10.396 15.463 -5.012 1.00 0.00 O +ATOM 422 CB ASN A 28 7.926 15.790 -2.852 1.00 0.00 C +ATOM 423 CG ASN A 28 8.959 16.859 -2.520 1.00 0.00 C +ATOM 424 OD1 ASN A 28 9.819 16.651 -1.665 1.00 0.00 O +ATOM 425 ND2 ASN A 28 8.929 17.999 -3.157 1.00 0.00 N +ATOM 426 H ASN A 28 6.573 13.923 -3.907 1.00 0.00 H +ATOM 427 HA ASN A 28 7.965 16.186 -4.953 1.00 0.00 H +ATOM 428 HB2 ASN A 28 6.933 16.196 -2.721 1.00 0.00 H +ATOM 429 HB3 ASN A 28 8.061 14.943 -2.190 1.00 0.00 H +ATOM 430 HD21 ASN A 28 8.246 18.159 -3.841 1.00 0.00 H +ATOM 431 HD22 ASN A 28 9.588 18.694 -2.950 1.00 0.00 H +ATOM 432 N ALA A 29 9.701 13.543 -4.024 1.00 0.00 N +ATOM 433 CA ALA A 29 10.988 12.836 -4.083 1.00 0.00 C +ATOM 434 C ALA A 29 11.722 12.970 -2.752 1.00 0.00 C +ATOM 435 O ALA A 29 12.282 12.001 -2.237 1.00 0.00 O +ATOM 436 CB ALA A 29 11.881 13.359 -5.217 1.00 0.00 C +ATOM 437 H ALA A 29 8.944 13.095 -3.599 1.00 0.00 H +ATOM 438 HA ALA A 29 10.789 11.788 -4.264 1.00 0.00 H +ATOM 439 HB1 ALA A 29 11.275 13.569 -6.086 1.00 0.00 H +ATOM 440 HB2 ALA A 29 12.617 12.608 -5.467 1.00 0.00 H +ATOM 441 HB3 ALA A 29 12.384 14.261 -4.900 1.00 0.00 H +ATOM 442 N ASN A 30 11.712 14.182 -2.200 1.00 0.00 N +ATOM 443 CA ASN A 30 12.377 14.451 -0.927 1.00 0.00 C +ATOM 444 C ASN A 30 11.385 14.343 0.228 1.00 0.00 C +ATOM 445 O ASN A 30 11.672 14.787 1.338 1.00 0.00 O +ATOM 446 CB ASN A 30 12.977 15.858 -0.942 1.00 0.00 C +ATOM 447 CG ASN A 30 14.142 15.918 -1.924 1.00 0.00 C +ATOM 448 OD1 ASN A 30 14.673 14.882 -2.324 1.00 0.00 O +ATOM 449 ND2 ASN A 30 14.576 17.078 -2.336 1.00 0.00 N +ATOM 450 H ASN A 30 11.253 14.913 -2.661 1.00 0.00 H +ATOM 451 HA ASN A 30 13.174 13.736 -0.778 1.00 0.00 H +ATOM 452 HB2 ASN A 30 12.219 16.567 -1.240 1.00 0.00 H +ATOM 453 HB3 ASN A 30 13.332 16.106 0.047 1.00 0.00 H +ATOM 454 HD21 ASN A 30 14.155 17.902 -2.013 1.00 0.00 H +ATOM 455 HD22 ASN A 30 15.322 17.125 -2.969 1.00 0.00 H +ATOM 456 N CYS A 31 10.209 13.767 -0.053 1.00 0.00 N +ATOM 457 CA CYS A 31 9.157 13.613 0.960 1.00 0.00 C +ATOM 458 C CYS A 31 9.756 13.409 2.355 1.00 0.00 C +ATOM 459 O CYS A 31 10.682 12.617 2.529 1.00 0.00 O +ATOM 460 CB CYS A 31 8.271 12.424 0.597 1.00 0.00 C +ATOM 461 SG CYS A 31 6.747 12.490 1.573 1.00 0.00 S +ATOM 462 H CYS A 31 10.039 13.453 -0.967 1.00 0.00 H +ATOM 463 HA CYS A 31 8.546 14.498 0.961 1.00 0.00 H +ATOM 464 HB2 CYS A 31 8.026 12.470 -0.456 1.00 0.00 H +ATOM 465 HB3 CYS A 31 8.795 11.502 0.807 1.00 0.00 H +ATOM 466 HG CYS A 31 6.096 12.988 1.072 1.00 0.00 H +ATOM 467 N SER A 32 9.245 14.149 3.342 1.00 0.00 N +ATOM 468 CA SER A 32 9.765 14.060 4.705 1.00 0.00 C +ATOM 469 C SER A 32 9.057 12.998 5.526 1.00 0.00 C +ATOM 470 O SER A 32 9.281 12.901 6.729 1.00 0.00 O +ATOM 471 CB SER A 32 9.619 15.399 5.411 1.00 0.00 C +ATOM 472 OG SER A 32 8.264 15.826 5.340 1.00 0.00 O +ATOM 473 H SER A 32 8.521 14.781 3.148 1.00 0.00 H +ATOM 474 HA SER A 32 10.817 13.816 4.662 1.00 0.00 H +ATOM 475 HB2 SER A 32 9.901 15.286 6.445 1.00 0.00 H +ATOM 476 HB3 SER A 32 10.265 16.123 4.938 1.00 0.00 H +ATOM 477 HG SER A 32 7.711 15.116 5.673 1.00 0.00 H +ATOM 478 N LEU A 33 8.220 12.192 4.883 1.00 0.00 N +ATOM 479 CA LEU A 33 7.520 11.124 5.584 1.00 0.00 C +ATOM 480 C LEU A 33 8.238 9.807 5.290 1.00 0.00 C +ATOM 481 O LEU A 33 8.116 9.272 4.190 1.00 0.00 O +ATOM 482 CB LEU A 33 6.052 11.066 5.116 1.00 0.00 C +ATOM 483 CG LEU A 33 5.264 12.295 5.665 1.00 0.00 C +ATOM 484 CD1 LEU A 33 4.397 12.921 4.562 1.00 0.00 C +ATOM 485 CD2 LEU A 33 4.339 11.875 6.821 1.00 0.00 C +ATOM 486 H LEU A 33 8.090 12.295 3.920 1.00 0.00 H +ATOM 487 HA LEU A 33 7.543 11.314 6.641 1.00 0.00 H +ATOM 488 HB2 LEU A 33 6.029 11.066 4.035 1.00 0.00 H +ATOM 489 HB3 LEU A 33 5.601 10.153 5.477 1.00 0.00 H +ATOM 490 HG LEU A 33 5.962 13.042 6.019 1.00 0.00 H +ATOM 491 HD11 LEU A 33 3.668 12.200 4.225 1.00 0.00 H +ATOM 492 HD12 LEU A 33 5.020 13.221 3.732 1.00 0.00 H +ATOM 493 HD13 LEU A 33 3.888 13.788 4.957 1.00 0.00 H +ATOM 494 HD21 LEU A 33 3.600 11.176 6.455 1.00 0.00 H +ATOM 495 HD22 LEU A 33 3.842 12.747 7.217 1.00 0.00 H +ATOM 496 HD23 LEU A 33 4.918 11.407 7.602 1.00 0.00 H +ATOM 497 N PRO A 34 9.008 9.275 6.216 1.00 0.00 N +ATOM 498 CA PRO A 34 9.750 8.017 5.963 1.00 0.00 C +ATOM 499 C PRO A 34 8.861 6.981 5.292 1.00 0.00 C +ATOM 500 O PRO A 34 9.324 6.187 4.477 1.00 0.00 O +ATOM 501 CB PRO A 34 10.193 7.567 7.360 1.00 0.00 C +ATOM 502 CG PRO A 34 10.331 8.836 8.135 1.00 0.00 C +ATOM 503 CD PRO A 34 9.267 9.789 7.578 1.00 0.00 C +ATOM 504 HA PRO A 34 10.614 8.223 5.354 1.00 0.00 H +ATOM 505 HB2 PRO A 34 9.441 6.928 7.808 1.00 0.00 H +ATOM 506 HB3 PRO A 34 11.143 7.054 7.311 1.00 0.00 H +ATOM 507 HG2 PRO A 34 10.160 8.651 9.188 1.00 0.00 H +ATOM 508 HG3 PRO A 34 11.314 9.259 7.986 1.00 0.00 H +ATOM 509 HD2 PRO A 34 8.368 9.750 8.179 1.00 0.00 H +ATOM 510 HD3 PRO A 34 9.648 10.794 7.532 1.00 0.00 H +ATOM 511 N SER A 35 7.579 7.015 5.626 1.00 0.00 N +ATOM 512 CA SER A 35 6.628 6.092 5.033 1.00 0.00 C +ATOM 513 C SER A 35 6.523 6.339 3.532 1.00 0.00 C +ATOM 514 O SER A 35 6.335 5.407 2.756 1.00 0.00 O +ATOM 515 CB SER A 35 5.256 6.256 5.683 1.00 0.00 C +ATOM 516 OG SER A 35 5.296 5.721 6.999 1.00 0.00 O +ATOM 517 H SER A 35 7.264 7.684 6.269 1.00 0.00 H +ATOM 518 HA SER A 35 6.976 5.083 5.190 1.00 0.00 H +ATOM 519 HB2 SER A 35 4.997 7.300 5.731 1.00 0.00 H +ATOM 520 HB3 SER A 35 4.515 5.730 5.094 1.00 0.00 H +ATOM 521 HG SER A 35 5.595 6.415 7.592 1.00 0.00 H +ATOM 522 N CYS A 36 6.635 7.599 3.123 1.00 0.00 N +ATOM 523 CA CYS A 36 6.541 7.915 1.703 1.00 0.00 C +ATOM 524 C CYS A 36 7.762 7.405 0.949 1.00 0.00 C +ATOM 525 O CYS A 36 7.635 6.683 -0.038 1.00 0.00 O +ATOM 526 CB CYS A 36 6.408 9.423 1.509 1.00 0.00 C +ATOM 527 SG CYS A 36 4.666 9.893 1.618 1.00 0.00 S +ATOM 528 H CYS A 36 6.783 8.319 3.781 1.00 0.00 H +ATOM 529 HA CYS A 36 5.667 7.434 1.303 1.00 0.00 H +ATOM 530 HB2 CYS A 36 6.963 9.914 2.274 1.00 0.00 H +ATOM 531 HB3 CYS A 36 6.798 9.715 0.543 1.00 0.00 H +ATOM 532 HG CYS A 36 4.609 10.847 1.535 1.00 0.00 H +ATOM 533 N GLN A 37 8.942 7.798 1.409 1.00 0.00 N +ATOM 534 CA GLN A 37 10.173 7.392 0.760 1.00 0.00 C +ATOM 535 C GLN A 37 10.232 5.898 0.602 1.00 0.00 C +ATOM 536 O GLN A 37 10.711 5.390 -0.409 1.00 0.00 O +ATOM 537 CB GLN A 37 11.367 7.816 1.600 1.00 0.00 C +ATOM 538 CG GLN A 37 11.411 9.341 1.681 1.00 0.00 C +ATOM 539 CD GLN A 37 12.693 9.800 2.369 1.00 0.00 C +ATOM 540 OE1 GLN A 37 13.521 8.976 2.757 1.00 0.00 O +ATOM 541 NE2 GLN A 37 12.914 11.077 2.535 1.00 0.00 N +ATOM 542 H GLN A 37 8.987 8.392 2.184 1.00 0.00 H +ATOM 543 HA GLN A 37 10.236 7.857 -0.206 1.00 0.00 H +ATOM 544 HB2 GLN A 37 11.266 7.395 2.594 1.00 0.00 H +ATOM 545 HB3 GLN A 37 12.271 7.442 1.145 1.00 0.00 H +ATOM 546 HG2 GLN A 37 11.364 9.750 0.687 1.00 0.00 H +ATOM 547 HG3 GLN A 37 10.561 9.690 2.249 1.00 0.00 H +ATOM 548 HE21 GLN A 37 12.257 11.733 2.218 1.00 0.00 H +ATOM 549 HE22 GLN A 37 13.734 11.380 2.975 1.00 0.00 H +ATOM 550 N LYS A 38 9.751 5.195 1.611 1.00 0.00 N +ATOM 551 CA LYS A 38 9.759 3.758 1.582 1.00 0.00 C +ATOM 552 C LYS A 38 8.669 3.274 0.631 1.00 0.00 C +ATOM 553 O LYS A 38 8.830 2.250 -0.034 1.00 0.00 O +ATOM 554 CB LYS A 38 9.644 3.210 3.035 1.00 0.00 C +ATOM 555 CG LYS A 38 8.725 1.976 3.142 1.00 0.00 C +ATOM 556 CD LYS A 38 7.291 2.463 3.331 1.00 0.00 C +ATOM 557 CE LYS A 38 6.307 1.306 3.176 1.00 0.00 C +ATOM 558 NZ LYS A 38 4.946 1.777 3.559 1.00 0.00 N +ATOM 559 H LYS A 38 9.366 5.654 2.379 1.00 0.00 H +ATOM 560 HA LYS A 38 10.705 3.453 1.176 1.00 0.00 H +ATOM 561 HB2 LYS A 38 10.630 2.935 3.385 1.00 0.00 H +ATOM 562 HB3 LYS A 38 9.263 3.997 3.673 1.00 0.00 H +ATOM 563 HG2 LYS A 38 8.801 1.365 2.257 1.00 0.00 H +ATOM 564 HG3 LYS A 38 9.012 1.391 4.004 1.00 0.00 H +ATOM 565 HD2 LYS A 38 7.192 2.889 4.316 1.00 0.00 H +ATOM 566 HD3 LYS A 38 7.080 3.220 2.603 1.00 0.00 H +ATOM 567 HE2 LYS A 38 6.296 0.975 2.148 1.00 0.00 H +ATOM 568 HE3 LYS A 38 6.600 0.488 3.817 1.00 0.00 H +ATOM 569 HZ1 LYS A 38 5.003 2.753 3.912 1.00 0.00 H +ATOM 570 HZ2 LYS A 38 4.563 1.160 4.305 1.00 0.00 H +ATOM 571 HZ3 LYS A 38 4.321 1.746 2.729 1.00 0.00 H +ATOM 572 N MET A 39 7.567 4.025 0.540 1.00 0.00 N +ATOM 573 CA MET A 39 6.494 3.649 -0.367 1.00 0.00 C +ATOM 574 C MET A 39 6.909 3.961 -1.788 1.00 0.00 C +ATOM 575 O MET A 39 6.587 3.224 -2.715 1.00 0.00 O +ATOM 576 CB MET A 39 5.163 4.342 -0.024 1.00 0.00 C +ATOM 577 CG MET A 39 4.361 3.556 1.039 1.00 0.00 C +ATOM 578 SD MET A 39 4.079 1.833 0.530 1.00 0.00 S +ATOM 579 CE MET A 39 3.189 2.177 -1.006 1.00 0.00 C +ATOM 580 H MET A 39 7.494 4.857 1.058 1.00 0.00 H +ATOM 581 HA MET A 39 6.366 2.586 -0.297 1.00 0.00 H +ATOM 582 HB2 MET A 39 5.373 5.338 0.357 1.00 0.00 H +ATOM 583 HB3 MET A 39 4.564 4.429 -0.919 1.00 0.00 H +ATOM 584 HG2 MET A 39 4.877 3.565 1.981 1.00 0.00 H +ATOM 585 HG3 MET A 39 3.415 4.033 1.158 1.00 0.00 H +ATOM 586 HE1 MET A 39 2.570 1.327 -1.263 1.00 0.00 H +ATOM 587 HE2 MET A 39 3.895 2.358 -1.798 1.00 0.00 H +ATOM 588 HE3 MET A 39 2.569 3.051 -0.872 1.00 0.00 H +ATOM 589 N LYS A 40 7.656 5.031 -1.972 1.00 0.00 N +ATOM 590 CA LYS A 40 8.111 5.332 -3.302 1.00 0.00 C +ATOM 591 C LYS A 40 9.026 4.220 -3.714 1.00 0.00 C +ATOM 592 O LYS A 40 8.961 3.711 -4.813 1.00 0.00 O +ATOM 593 CB LYS A 40 8.847 6.656 -3.367 1.00 0.00 C +ATOM 594 CG LYS A 40 7.849 7.787 -3.128 1.00 0.00 C +ATOM 595 CD LYS A 40 8.568 9.131 -3.183 1.00 0.00 C +ATOM 596 CE LYS A 40 7.566 10.251 -2.901 1.00 0.00 C +ATOM 597 NZ LYS A 40 8.265 11.562 -2.944 1.00 0.00 N +ATOM 598 H LYS A 40 7.930 5.584 -1.212 1.00 0.00 H +ATOM 599 HA LYS A 40 7.270 5.351 -3.963 1.00 0.00 H +ATOM 600 HB2 LYS A 40 9.616 6.678 -2.609 1.00 0.00 H +ATOM 601 HB3 LYS A 40 9.295 6.761 -4.347 1.00 0.00 H +ATOM 602 HG2 LYS A 40 7.083 7.755 -3.891 1.00 0.00 H +ATOM 603 HG3 LYS A 40 7.392 7.664 -2.158 1.00 0.00 H +ATOM 604 HD2 LYS A 40 9.353 9.150 -2.440 1.00 0.00 H +ATOM 605 HD3 LYS A 40 8.996 9.270 -4.165 1.00 0.00 H +ATOM 606 HE2 LYS A 40 6.786 10.234 -3.648 1.00 0.00 H +ATOM 607 HE3 LYS A 40 7.131 10.107 -1.923 1.00 0.00 H +ATOM 608 HZ1 LYS A 40 7.855 12.199 -2.233 1.00 0.00 H +ATOM 609 HZ2 LYS A 40 8.156 11.983 -3.890 1.00 0.00 H +ATOM 610 HZ3 LYS A 40 9.276 11.424 -2.741 1.00 0.00 H +ATOM 611 N ARG A 41 9.851 3.821 -2.777 1.00 0.00 N +ATOM 612 CA ARG A 41 10.773 2.743 -3.001 1.00 0.00 C +ATOM 613 C ARG A 41 9.983 1.549 -3.529 1.00 0.00 C +ATOM 614 O ARG A 41 10.423 0.864 -4.438 1.00 0.00 O +ATOM 615 CB ARG A 41 11.468 2.412 -1.667 1.00 0.00 C +ATOM 616 CG ARG A 41 12.922 2.014 -1.910 1.00 0.00 C +ATOM 617 CD ARG A 41 13.589 1.674 -0.581 1.00 0.00 C +ATOM 618 NE ARG A 41 13.845 2.887 0.188 1.00 0.00 N +ATOM 619 CZ ARG A 41 14.197 2.822 1.468 1.00 0.00 C +ATOM 620 NH1 ARG A 41 14.294 1.663 2.059 1.00 0.00 N +ATOM 621 NH2 ARG A 41 14.446 3.918 2.133 1.00 0.00 N +ATOM 622 H ARG A 41 9.824 4.250 -1.909 1.00 0.00 H +ATOM 623 HA ARG A 41 11.507 3.046 -3.734 1.00 0.00 H +ATOM 624 HB2 ARG A 41 11.436 3.282 -1.032 1.00 0.00 H +ATOM 625 HB3 ARG A 41 10.951 1.593 -1.176 1.00 0.00 H +ATOM 626 HG2 ARG A 41 12.953 1.164 -2.557 1.00 0.00 H +ATOM 627 HG3 ARG A 41 13.448 2.836 -2.372 1.00 0.00 H +ATOM 628 HD2 ARG A 41 12.935 1.028 -0.013 1.00 0.00 H +ATOM 629 HD3 ARG A 41 14.520 1.162 -0.768 1.00 0.00 H +ATOM 630 HE ARG A 41 13.767 3.761 -0.248 1.00 0.00 H +ATOM 631 HH11 ARG A 41 14.104 0.825 1.548 1.00 0.00 H +ATOM 632 HH12 ARG A 41 14.558 1.613 3.022 1.00 0.00 H +ATOM 633 HH21 ARG A 41 14.371 4.806 1.679 1.00 0.00 H +ATOM 634 HH22 ARG A 41 14.710 3.867 3.096 1.00 0.00 H +ATOM 635 N VAL A 42 8.802 1.352 -2.942 1.00 0.00 N +ATOM 636 CA VAL A 42 7.884 0.277 -3.327 1.00 0.00 C +ATOM 637 C VAL A 42 7.233 0.559 -4.689 1.00 0.00 C +ATOM 638 O VAL A 42 7.211 -0.309 -5.560 1.00 0.00 O +ATOM 639 CB VAL A 42 6.792 0.116 -2.244 1.00 0.00 C +ATOM 640 CG1 VAL A 42 5.701 -0.839 -2.741 1.00 0.00 C +ATOM 641 CG2 VAL A 42 7.425 -0.453 -0.965 1.00 0.00 C +ATOM 642 H VAL A 42 8.531 1.966 -2.247 1.00 0.00 H +ATOM 643 HA VAL A 42 8.440 -0.646 -3.400 1.00 0.00 H +ATOM 644 HB VAL A 42 6.341 1.077 -2.023 1.00 0.00 H +ATOM 645 HG11 VAL A 42 5.118 -1.195 -1.903 1.00 0.00 H +ATOM 646 HG12 VAL A 42 6.160 -1.673 -3.243 1.00 0.00 H +ATOM 647 HG13 VAL A 42 5.055 -0.317 -3.431 1.00 0.00 H +ATOM 648 HG21 VAL A 42 6.775 -0.256 -0.125 1.00 0.00 H +ATOM 649 HG22 VAL A 42 8.382 0.016 -0.795 1.00 0.00 H +ATOM 650 HG23 VAL A 42 7.562 -1.519 -1.072 1.00 0.00 H +ATOM 651 N VAL A 43 6.708 1.772 -4.867 1.00 0.00 N +ATOM 652 CA VAL A 43 6.066 2.141 -6.128 1.00 0.00 C +ATOM 653 C VAL A 43 7.114 2.276 -7.226 1.00 0.00 C +ATOM 654 O VAL A 43 7.007 1.671 -8.292 1.00 0.00 O +ATOM 655 CB VAL A 43 5.305 3.456 -5.970 1.00 0.00 C +ATOM 656 CG1 VAL A 43 4.709 3.859 -7.319 1.00 0.00 C +ATOM 657 CG2 VAL A 43 4.177 3.267 -4.956 1.00 0.00 C +ATOM 658 H VAL A 43 6.760 2.426 -4.147 1.00 0.00 H +ATOM 659 HA VAL A 43 5.368 1.368 -6.398 1.00 0.00 H +ATOM 660 HB VAL A 43 5.980 4.227 -5.628 1.00 0.00 H +ATOM 661 HG11 VAL A 43 4.209 3.008 -7.759 1.00 0.00 H +ATOM 662 HG12 VAL A 43 5.498 4.191 -7.978 1.00 0.00 H +ATOM 663 HG13 VAL A 43 3.998 4.659 -7.176 1.00 0.00 H +ATOM 664 HG21 VAL A 43 3.673 4.208 -4.797 1.00 0.00 H +ATOM 665 HG22 VAL A 43 4.588 2.916 -4.021 1.00 0.00 H +ATOM 666 HG23 VAL A 43 3.472 2.541 -5.335 1.00 0.00 H +ATOM 667 N GLN A 44 8.141 3.058 -6.929 1.00 0.00 N +ATOM 668 CA GLN A 44 9.238 3.266 -7.851 1.00 0.00 C +ATOM 669 C GLN A 44 9.783 1.903 -8.279 1.00 0.00 C +ATOM 670 O GLN A 44 10.158 1.715 -9.436 1.00 0.00 O +ATOM 671 CB GLN A 44 10.335 4.121 -7.181 1.00 0.00 C +ATOM 672 CG GLN A 44 9.798 5.528 -6.891 1.00 0.00 C +ATOM 673 CD GLN A 44 9.586 6.284 -8.197 1.00 0.00 C +ATOM 674 OE1 GLN A 44 10.444 6.253 -9.078 1.00 0.00 O +ATOM 675 NE2 GLN A 44 8.489 6.970 -8.375 1.00 0.00 N +ATOM 676 H GLN A 44 8.164 3.494 -6.065 1.00 0.00 H +ATOM 677 HA GLN A 44 8.872 3.785 -8.724 1.00 0.00 H +ATOM 678 HB2 GLN A 44 10.642 3.667 -6.255 1.00 0.00 H +ATOM 679 HB3 GLN A 44 11.184 4.198 -7.839 1.00 0.00 H +ATOM 680 HG2 GLN A 44 8.859 5.452 -6.361 1.00 0.00 H +ATOM 681 HG3 GLN A 44 10.509 6.063 -6.276 1.00 0.00 H +ATOM 682 HE21 GLN A 44 7.808 6.998 -7.671 1.00 0.00 H +ATOM 683 HE22 GLN A 44 8.348 7.458 -9.213 1.00 0.00 H +ATOM 684 N HIS A 45 9.785 0.934 -7.351 1.00 0.00 N +ATOM 685 CA HIS A 45 10.242 -0.411 -7.680 1.00 0.00 C +ATOM 686 C HIS A 45 9.146 -1.173 -8.419 1.00 0.00 C +ATOM 687 O HIS A 45 9.423 -1.948 -9.337 1.00 0.00 O +ATOM 688 CB HIS A 45 10.601 -1.158 -6.389 1.00 0.00 C +ATOM 689 CG HIS A 45 10.474 -2.645 -6.566 1.00 0.00 C +ATOM 690 ND1 HIS A 45 11.499 -3.459 -7.034 1.00 0.00 N +ATOM 691 CD2 HIS A 45 9.408 -3.473 -6.349 1.00 0.00 C +ATOM 692 CE1 HIS A 45 11.022 -4.712 -7.087 1.00 0.00 C +ATOM 693 NE2 HIS A 45 9.755 -4.771 -6.684 1.00 0.00 N +ATOM 694 H HIS A 45 9.445 1.115 -6.436 1.00 0.00 H +ATOM 695 HA HIS A 45 11.114 -0.349 -8.315 1.00 0.00 H +ATOM 696 HB2 HIS A 45 11.600 -0.912 -6.100 1.00 0.00 H +ATOM 697 HB3 HIS A 45 9.917 -0.855 -5.617 1.00 0.00 H +ATOM 698 HD1 HIS A 45 12.405 -3.179 -7.268 1.00 0.00 H +ATOM 699 HD2 HIS A 45 8.450 -3.162 -5.943 1.00 0.00 H +ATOM 700 HE1 HIS A 45 11.599 -5.571 -7.398 1.00 0.00 H +ATOM 701 N THR A 46 7.907 -0.986 -7.985 1.00 0.00 N +ATOM 702 CA THR A 46 6.801 -1.711 -8.590 1.00 0.00 C +ATOM 703 C THR A 46 6.834 -1.603 -10.097 1.00 0.00 C +ATOM 704 O THR A 46 6.698 -2.605 -10.797 1.00 0.00 O +ATOM 705 CB THR A 46 5.468 -1.173 -8.049 1.00 0.00 C +ATOM 706 OG1 THR A 46 5.311 -1.602 -6.705 1.00 0.00 O +ATOM 707 CG2 THR A 46 4.267 -1.668 -8.884 1.00 0.00 C +ATOM 708 H THR A 46 7.741 -0.381 -7.218 1.00 0.00 H +ATOM 709 HA THR A 46 6.886 -2.744 -8.332 1.00 0.00 H +ATOM 710 HB THR A 46 5.494 -0.099 -8.076 1.00 0.00 H +ATOM 711 HG1 THR A 46 5.392 -0.833 -6.136 1.00 0.00 H +ATOM 712 HG21 THR A 46 3.948 -0.886 -9.561 1.00 0.00 H +ATOM 713 HG22 THR A 46 3.452 -1.916 -8.222 1.00 0.00 H +ATOM 714 HG23 THR A 46 4.543 -2.542 -9.454 1.00 0.00 H +ATOM 715 N LYS A 47 7.003 -0.403 -10.600 1.00 0.00 N +ATOM 716 CA LYS A 47 7.034 -0.233 -12.039 1.00 0.00 C +ATOM 717 C LYS A 47 8.353 -0.712 -12.622 1.00 0.00 C +ATOM 718 O LYS A 47 8.385 -1.272 -13.718 1.00 0.00 O +ATOM 719 CB LYS A 47 6.793 1.222 -12.408 1.00 0.00 C +ATOM 720 CG LYS A 47 5.388 1.631 -11.958 1.00 0.00 C +ATOM 721 CD LYS A 47 5.004 2.958 -12.610 1.00 0.00 C +ATOM 722 CE LYS A 47 5.850 4.095 -12.035 1.00 0.00 C +ATOM 723 NZ LYS A 47 5.295 5.401 -12.487 1.00 0.00 N +ATOM 724 H LYS A 47 7.114 0.372 -10.006 1.00 0.00 H +ATOM 725 HA LYS A 47 6.241 -0.840 -12.462 1.00 0.00 H +ATOM 726 HB2 LYS A 47 7.528 1.839 -11.914 1.00 0.00 H +ATOM 727 HB3 LYS A 47 6.880 1.339 -13.476 1.00 0.00 H +ATOM 728 HG2 LYS A 47 4.676 0.871 -12.248 1.00 0.00 H +ATOM 729 HG3 LYS A 47 5.374 1.745 -10.884 1.00 0.00 H +ATOM 730 HD2 LYS A 47 5.169 2.888 -13.675 1.00 0.00 H +ATOM 731 HD3 LYS A 47 3.961 3.157 -12.421 1.00 0.00 H +ATOM 732 HE2 LYS A 47 5.832 4.048 -10.955 1.00 0.00 H +ATOM 733 HE3 LYS A 47 6.867 4.000 -12.383 1.00 0.00 H +ATOM 734 HZ1 LYS A 47 4.610 5.748 -11.786 1.00 0.00 H +ATOM 735 HZ2 LYS A 47 4.822 5.276 -13.405 1.00 0.00 H +ATOM 736 HZ3 LYS A 47 6.067 6.091 -12.585 1.00 0.00 H +ATOM 737 N GLY A 48 9.444 -0.489 -11.897 1.00 0.00 N +ATOM 738 CA GLY A 48 10.751 -0.906 -12.380 1.00 0.00 C +ATOM 739 C GLY A 48 10.708 -2.341 -12.887 1.00 0.00 C +ATOM 740 O GLY A 48 11.504 -2.729 -13.742 1.00 0.00 O +ATOM 741 H GLY A 48 9.368 -0.036 -11.030 1.00 0.00 H +ATOM 742 HA2 GLY A 48 11.057 -0.253 -13.184 1.00 0.00 H +ATOM 743 HA3 GLY A 48 11.467 -0.838 -11.574 1.00 0.00 H +ATOM 744 N CYS A 49 9.762 -3.124 -12.363 1.00 0.00 N +ATOM 745 CA CYS A 49 9.608 -4.528 -12.781 1.00 0.00 C +ATOM 746 C CYS A 49 8.280 -4.713 -13.527 1.00 0.00 C +ATOM 747 O CYS A 49 7.219 -4.340 -13.023 1.00 0.00 O +ATOM 748 CB CYS A 49 9.685 -5.444 -11.551 1.00 0.00 C +ATOM 749 SG CYS A 49 11.416 -5.848 -11.208 1.00 0.00 S +ATOM 750 H CYS A 49 9.142 -2.745 -11.693 1.00 0.00 H +ATOM 751 HA CYS A 49 10.412 -4.791 -13.453 1.00 0.00 H +ATOM 752 HB2 CYS A 49 9.263 -4.933 -10.695 1.00 0.00 H +ATOM 753 HB3 CYS A 49 9.138 -6.358 -11.741 1.00 0.00 H +ATOM 754 HG CYS A 49 11.967 -5.245 -11.712 1.00 0.00 H +ATOM 755 N LYS A 50 8.341 -5.296 -14.728 1.00 0.00 N +ATOM 756 CA LYS A 50 7.138 -5.528 -15.527 1.00 0.00 C +ATOM 757 C LYS A 50 6.416 -6.788 -15.060 1.00 0.00 C +ATOM 758 O LYS A 50 5.189 -6.867 -15.114 1.00 0.00 O +ATOM 759 CB LYS A 50 7.512 -5.653 -17.011 1.00 0.00 C +ATOM 760 CG LYS A 50 8.131 -4.340 -17.524 1.00 0.00 C +ATOM 761 CD LYS A 50 7.036 -3.301 -17.809 1.00 0.00 C +ATOM 762 CE LYS A 50 7.675 -2.023 -18.358 1.00 0.00 C +ATOM 763 NZ LYS A 50 6.609 -1.021 -18.637 1.00 0.00 N +ATOM 764 H LYS A 50 9.207 -5.588 -15.079 1.00 0.00 H +ATOM 765 HA LYS A 50 6.468 -4.697 -15.396 1.00 0.00 H +ATOM 766 HB2 LYS A 50 8.228 -6.453 -17.130 1.00 0.00 H +ATOM 767 HB3 LYS A 50 6.627 -5.878 -17.586 1.00 0.00 H +ATOM 768 HG2 LYS A 50 8.804 -3.949 -16.776 1.00 0.00 H +ATOM 769 HG3 LYS A 50 8.680 -4.535 -18.431 1.00 0.00 H +ATOM 770 HD2 LYS A 50 6.345 -3.698 -18.538 1.00 0.00 H +ATOM 771 HD3 LYS A 50 6.505 -3.064 -16.904 1.00 0.00 H +ATOM 772 HE2 LYS A 50 8.365 -1.624 -17.628 1.00 0.00 H +ATOM 773 HE3 LYS A 50 8.206 -2.249 -19.270 1.00 0.00 H +ATOM 774 HZ1 LYS A 50 6.079 -1.306 -19.484 1.00 0.00 H +ATOM 775 HZ2 LYS A 50 7.042 -0.089 -18.794 1.00 0.00 H +ATOM 776 HZ3 LYS A 50 5.959 -0.971 -17.826 1.00 0.00 H +ATOM 777 N ARG A 51 7.183 -7.760 -14.586 1.00 0.00 N +ATOM 778 CA ARG A 51 6.604 -8.999 -14.091 1.00 0.00 C +ATOM 779 C ARG A 51 5.856 -8.723 -12.795 1.00 0.00 C +ATOM 780 O ARG A 51 4.799 -9.297 -12.535 1.00 0.00 O +ATOM 781 CB ARG A 51 7.707 -10.047 -13.867 1.00 0.00 C +ATOM 782 CG ARG A 51 7.123 -11.325 -13.210 1.00 0.00 C +ATOM 783 CD ARG A 51 7.482 -11.374 -11.719 1.00 0.00 C +ATOM 784 NE ARG A 51 8.930 -11.430 -11.557 1.00 0.00 N +ATOM 785 CZ ARG A 51 9.593 -12.575 -11.681 1.00 0.00 C +ATOM 786 NH1 ARG A 51 8.950 -13.676 -11.962 1.00 0.00 N +ATOM 787 NH2 ARG A 51 10.888 -12.597 -11.529 1.00 0.00 N +ATOM 788 H ARG A 51 8.151 -7.632 -14.543 1.00 0.00 H +ATOM 789 HA ARG A 51 5.904 -9.374 -14.821 1.00 0.00 H +ATOM 790 HB2 ARG A 51 8.138 -10.303 -14.826 1.00 0.00 H +ATOM 791 HB3 ARG A 51 8.476 -9.626 -13.237 1.00 0.00 H +ATOM 792 HG2 ARG A 51 6.048 -11.340 -13.317 1.00 0.00 H +ATOM 793 HG3 ARG A 51 7.535 -12.199 -13.696 1.00 0.00 H +ATOM 794 HD2 ARG A 51 7.103 -10.489 -11.228 1.00 0.00 H +ATOM 795 HD3 ARG A 51 7.035 -12.250 -11.272 1.00 0.00 H +ATOM 796 HE ARG A 51 9.424 -10.607 -11.353 1.00 0.00 H +ATOM 797 HH11 ARG A 51 7.957 -13.658 -12.084 1.00 0.00 H +ATOM 798 HH12 ARG A 51 9.449 -14.537 -12.055 1.00 0.00 H +ATOM 799 HH21 ARG A 51 11.381 -11.754 -11.321 1.00 0.00 H +ATOM 800 HH22 ARG A 51 11.387 -13.459 -11.622 1.00 0.00 H +ATOM 801 N LYS A 52 6.422 -7.835 -11.989 1.00 0.00 N +ATOM 802 CA LYS A 52 5.832 -7.462 -10.723 1.00 0.00 C +ATOM 803 C LYS A 52 4.548 -6.677 -10.932 1.00 0.00 C +ATOM 804 O LYS A 52 3.576 -6.846 -10.195 1.00 0.00 O +ATOM 805 CB LYS A 52 6.846 -6.627 -9.933 1.00 0.00 C +ATOM 806 CG LYS A 52 6.164 -5.852 -8.794 1.00 0.00 C +ATOM 807 CD LYS A 52 7.171 -5.528 -7.681 1.00 0.00 C +ATOM 808 CE LYS A 52 6.454 -4.960 -6.439 1.00 0.00 C +ATOM 809 NZ LYS A 52 7.304 -5.187 -5.235 1.00 0.00 N +ATOM 810 H LYS A 52 7.256 -7.407 -12.259 1.00 0.00 H +ATOM 811 HA LYS A 52 5.616 -8.355 -10.173 1.00 0.00 H +ATOM 812 HB2 LYS A 52 7.610 -7.276 -9.534 1.00 0.00 H +ATOM 813 HB3 LYS A 52 7.289 -5.925 -10.607 1.00 0.00 H +ATOM 814 HG2 LYS A 52 5.785 -4.919 -9.205 1.00 0.00 H +ATOM 815 HG3 LYS A 52 5.357 -6.436 -8.395 1.00 0.00 H +ATOM 816 HD2 LYS A 52 7.694 -6.427 -7.401 1.00 0.00 H +ATOM 817 HD3 LYS A 52 7.876 -4.804 -8.049 1.00 0.00 H +ATOM 818 HE2 LYS A 52 6.288 -3.905 -6.557 1.00 0.00 H +ATOM 819 HE3 LYS A 52 5.505 -5.451 -6.303 1.00 0.00 H +ATOM 820 HZ1 LYS A 52 7.083 -6.115 -4.823 1.00 0.00 H +ATOM 821 HZ2 LYS A 52 7.116 -4.442 -4.532 1.00 0.00 H +ATOM 822 HZ3 LYS A 52 8.307 -5.161 -5.507 1.00 0.00 H +ATOM 823 N THR A 53 4.560 -5.800 -11.922 1.00 0.00 N +ATOM 824 CA THR A 53 3.396 -4.976 -12.192 1.00 0.00 C +ATOM 825 C THR A 53 2.214 -5.839 -12.603 1.00 0.00 C +ATOM 826 O THR A 53 1.065 -5.401 -12.546 1.00 0.00 O +ATOM 827 CB THR A 53 3.724 -3.926 -13.276 1.00 0.00 C +ATOM 828 OG1 THR A 53 4.447 -2.855 -12.686 1.00 0.00 O +ATOM 829 CG2 THR A 53 2.446 -3.373 -13.939 1.00 0.00 C +ATOM 830 H THR A 53 5.368 -5.695 -12.468 1.00 0.00 H +ATOM 831 HA THR A 53 3.147 -4.475 -11.275 1.00 0.00 H +ATOM 832 HB THR A 53 4.338 -4.387 -14.035 1.00 0.00 H +ATOM 833 HG1 THR A 53 4.378 -2.940 -11.732 1.00 0.00 H +ATOM 834 HG21 THR A 53 2.695 -2.492 -14.513 1.00 0.00 H +ATOM 835 HG22 THR A 53 1.719 -3.111 -13.183 1.00 0.00 H +ATOM 836 HG23 THR A 53 2.028 -4.122 -14.596 1.00 0.00 H +ATOM 837 N ASN A 54 2.497 -7.066 -13.009 1.00 0.00 N +ATOM 838 CA ASN A 54 1.443 -7.978 -13.417 1.00 0.00 C +ATOM 839 C ASN A 54 0.876 -8.697 -12.199 1.00 0.00 C +ATOM 840 O ASN A 54 -0.012 -9.540 -12.330 1.00 0.00 O +ATOM 841 CB ASN A 54 2.003 -9.012 -14.394 1.00 0.00 C +ATOM 842 CG ASN A 54 2.433 -8.333 -15.689 1.00 0.00 C +ATOM 843 OD1 ASN A 54 1.893 -7.290 -16.056 1.00 0.00 O +ATOM 844 ND2 ASN A 54 3.385 -8.866 -16.405 1.00 0.00 N +ATOM 845 H ASN A 54 3.430 -7.365 -13.029 1.00 0.00 H +ATOM 846 HA ASN A 54 0.652 -7.425 -13.904 1.00 0.00 H +ATOM 847 HB2 ASN A 54 2.854 -9.502 -13.946 1.00 0.00 H +ATOM 848 HB3 ASN A 54 1.241 -9.746 -14.613 1.00 0.00 H +ATOM 849 HD21 ASN A 54 3.816 -9.695 -16.109 1.00 0.00 H +ATOM 850 HD22 ASN A 54 3.671 -8.438 -17.239 1.00 0.00 H +ATOM 851 N GLY A 55 1.404 -8.381 -11.010 1.00 0.00 N +ATOM 852 CA GLY A 55 0.938 -9.037 -9.786 1.00 0.00 C +ATOM 853 C GLY A 55 1.943 -10.090 -9.351 1.00 0.00 C +ATOM 854 O GLY A 55 1.745 -10.785 -8.355 1.00 0.00 O +ATOM 855 H GLY A 55 2.133 -7.711 -10.956 1.00 0.00 H +ATOM 856 HA2 GLY A 55 0.821 -8.308 -9.003 1.00 0.00 H +ATOM 857 HA3 GLY A 55 -0.012 -9.520 -9.966 1.00 0.00 H +ATOM 858 N GLY A 56 3.014 -10.216 -10.125 1.00 0.00 N +ATOM 859 CA GLY A 56 4.037 -11.205 -9.837 1.00 0.00 C +ATOM 860 C GLY A 56 4.424 -11.182 -8.363 1.00 0.00 C +ATOM 861 O GLY A 56 4.501 -12.226 -7.719 1.00 0.00 O +ATOM 862 H GLY A 56 3.103 -9.650 -10.923 1.00 0.00 H +ATOM 863 HA2 GLY A 56 3.671 -12.188 -10.095 1.00 0.00 H +ATOM 864 HA3 GLY A 56 4.915 -10.982 -10.425 1.00 0.00 H +ATOM 865 N CYS A 57 4.696 -9.992 -7.838 1.00 0.00 N +ATOM 866 CA CYS A 57 5.103 -9.851 -6.466 1.00 0.00 C +ATOM 867 C CYS A 57 3.920 -9.770 -5.506 1.00 0.00 C +ATOM 868 O CYS A 57 2.985 -9.008 -5.751 1.00 0.00 O +ATOM 869 CB CYS A 57 5.879 -8.559 -6.326 1.00 0.00 C +ATOM 870 SG CYS A 57 6.711 -8.562 -4.726 1.00 0.00 S +ATOM 871 H CYS A 57 4.650 -9.197 -8.385 1.00 0.00 H +ATOM 872 HA CYS A 57 5.750 -10.658 -6.216 1.00 0.00 H +ATOM 873 HB2 CYS A 57 6.594 -8.484 -7.118 1.00 0.00 H +ATOM 874 HB3 CYS A 57 5.201 -7.724 -6.378 1.00 0.00 H +ATOM 875 HG CYS A 57 7.049 -7.680 -4.566 1.00 0.00 H +ATOM 876 N PRO A 58 3.959 -10.450 -4.387 1.00 0.00 N +ATOM 877 CA PRO A 58 2.878 -10.323 -3.380 1.00 0.00 C +ATOM 878 C PRO A 58 2.619 -8.843 -3.095 1.00 0.00 C +ATOM 879 O PRO A 58 1.505 -8.448 -2.756 1.00 0.00 O +ATOM 880 CB PRO A 58 3.443 -11.039 -2.145 1.00 0.00 C +ATOM 881 CG PRO A 58 4.407 -12.039 -2.694 1.00 0.00 C +ATOM 882 CD PRO A 58 4.991 -11.418 -3.963 1.00 0.00 C +ATOM 883 HA PRO A 58 1.978 -10.813 -3.717 1.00 0.00 H +ATOM 884 HB2 PRO A 58 3.955 -10.335 -1.499 1.00 0.00 H +ATOM 885 HB3 PRO A 58 2.654 -11.538 -1.603 1.00 0.00 H +ATOM 886 HG2 PRO A 58 5.191 -12.240 -1.974 1.00 0.00 H +ATOM 887 HG3 PRO A 58 3.890 -12.951 -2.949 1.00 0.00 H +ATOM 888 HD2 PRO A 58 5.925 -10.917 -3.754 1.00 0.00 H +ATOM 889 HD3 PRO A 58 5.125 -12.177 -4.720 1.00 0.00 H +ATOM 890 N ILE A 59 3.666 -8.029 -3.274 1.00 0.00 N +ATOM 891 CA ILE A 59 3.549 -6.593 -3.075 1.00 0.00 C +ATOM 892 C ILE A 59 2.620 -6.020 -4.125 1.00 0.00 C +ATOM 893 O ILE A 59 1.736 -5.233 -3.808 1.00 0.00 O +ATOM 894 CB ILE A 59 4.936 -5.912 -3.145 1.00 0.00 C +ATOM 895 CG1 ILE A 59 5.700 -6.213 -1.858 1.00 0.00 C +ATOM 896 CG2 ILE A 59 4.804 -4.392 -3.321 1.00 0.00 C +ATOM 897 CD1 ILE A 59 7.151 -5.729 -1.983 1.00 0.00 C +ATOM 898 H ILE A 59 4.513 -8.401 -3.580 1.00 0.00 H +ATOM 899 HA ILE A 59 3.116 -6.413 -2.103 1.00 0.00 H +ATOM 900 HB ILE A 59 5.490 -6.310 -3.980 1.00 0.00 H +ATOM 901 HG12 ILE A 59 5.222 -5.708 -1.030 1.00 0.00 H +ATOM 902 HG13 ILE A 59 5.689 -7.275 -1.686 1.00 0.00 H +ATOM 903 HG21 ILE A 59 4.132 -3.996 -2.572 1.00 0.00 H +ATOM 904 HG22 ILE A 59 4.419 -4.173 -4.305 1.00 0.00 H +ATOM 905 HG23 ILE A 59 5.775 -3.933 -3.212 1.00 0.00 H +ATOM 906 HD11 ILE A 59 7.638 -6.251 -2.793 1.00 0.00 H +ATOM 907 HD12 ILE A 59 7.676 -5.925 -1.060 1.00 0.00 H +ATOM 908 HD13 ILE A 59 7.162 -4.665 -2.183 1.00 0.00 H +ATOM 909 N CYS A 60 2.796 -6.434 -5.379 1.00 0.00 N +ATOM 910 CA CYS A 60 1.924 -5.939 -6.427 1.00 0.00 C +ATOM 911 C CYS A 60 0.577 -6.619 -6.338 1.00 0.00 C +ATOM 912 O CYS A 60 -0.463 -5.986 -6.496 1.00 0.00 O +ATOM 913 CB CYS A 60 2.539 -6.114 -7.826 1.00 0.00 C +ATOM 914 SG CYS A 60 3.405 -4.596 -8.269 1.00 0.00 S +ATOM 915 H CYS A 60 3.497 -7.086 -5.592 1.00 0.00 H +ATOM 916 HA CYS A 60 1.774 -4.893 -6.255 1.00 0.00 H +ATOM 917 HB2 CYS A 60 3.234 -6.940 -7.829 1.00 0.00 H +ATOM 918 HB3 CYS A 60 1.760 -6.294 -8.553 1.00 0.00 H +ATOM 919 HG CYS A 60 3.559 -4.607 -9.217 1.00 0.00 H +ATOM 920 N LYS A 61 0.590 -7.904 -6.071 1.00 0.00 N +ATOM 921 CA LYS A 61 -0.666 -8.622 -5.965 1.00 0.00 C +ATOM 922 C LYS A 61 -1.538 -7.973 -4.890 1.00 0.00 C +ATOM 923 O LYS A 61 -2.710 -7.663 -5.122 1.00 0.00 O +ATOM 924 CB LYS A 61 -0.393 -10.079 -5.610 1.00 0.00 C +ATOM 925 CG LYS A 61 -1.605 -10.931 -5.988 1.00 0.00 C +ATOM 926 CD LYS A 61 -1.418 -12.351 -5.461 1.00 0.00 C +ATOM 927 CE LYS A 61 -0.261 -13.040 -6.195 1.00 0.00 C +ATOM 928 NZ LYS A 61 -0.347 -14.511 -5.981 1.00 0.00 N +ATOM 929 H LYS A 61 1.452 -8.373 -5.945 1.00 0.00 H +ATOM 930 HA LYS A 61 -1.181 -8.580 -6.912 1.00 0.00 H +ATOM 931 HB2 LYS A 61 0.472 -10.415 -6.157 1.00 0.00 H +ATOM 932 HB3 LYS A 61 -0.206 -10.168 -4.549 1.00 0.00 H +ATOM 933 HG2 LYS A 61 -2.496 -10.499 -5.554 1.00 0.00 H +ATOM 934 HG3 LYS A 61 -1.706 -10.956 -7.063 1.00 0.00 H +ATOM 935 HD2 LYS A 61 -1.197 -12.306 -4.406 1.00 0.00 H +ATOM 936 HD3 LYS A 61 -2.325 -12.909 -5.616 1.00 0.00 H +ATOM 937 HE2 LYS A 61 -0.322 -12.826 -7.252 1.00 0.00 H +ATOM 938 HE3 LYS A 61 0.680 -12.679 -5.808 1.00 0.00 H +ATOM 939 HZ1 LYS A 61 0.027 -14.748 -5.040 1.00 0.00 H +ATOM 940 HZ2 LYS A 61 0.213 -15.000 -6.709 1.00 0.00 H +ATOM 941 HZ3 LYS A 61 -1.339 -14.814 -6.045 1.00 0.00 H +ATOM 942 N GLN A 62 -0.946 -7.755 -3.721 1.00 0.00 N +ATOM 943 CA GLN A 62 -1.660 -7.128 -2.617 1.00 0.00 C +ATOM 944 C GLN A 62 -1.945 -5.653 -2.905 1.00 0.00 C +ATOM 945 O GLN A 62 -3.037 -5.159 -2.619 1.00 0.00 O +ATOM 946 CB GLN A 62 -0.839 -7.251 -1.333 1.00 0.00 C +ATOM 947 CG GLN A 62 -0.802 -8.715 -0.887 1.00 0.00 C +ATOM 948 CD GLN A 62 0.111 -8.867 0.325 1.00 0.00 C +ATOM 949 OE1 GLN A 62 0.650 -7.880 0.824 1.00 0.00 O +ATOM 950 NE2 GLN A 62 0.317 -10.052 0.831 1.00 0.00 N +ATOM 951 H GLN A 62 -0.008 -8.009 -3.604 1.00 0.00 H +ATOM 952 HA GLN A 62 -2.598 -7.643 -2.478 1.00 0.00 H +ATOM 953 HB2 GLN A 62 0.167 -6.902 -1.514 1.00 0.00 H +ATOM 954 HB3 GLN A 62 -1.292 -6.652 -0.556 1.00 0.00 H +ATOM 955 HG2 GLN A 62 -1.801 -9.034 -0.626 1.00 0.00 H +ATOM 956 HG3 GLN A 62 -0.429 -9.327 -1.695 1.00 0.00 H +ATOM 957 HE21 GLN A 62 -0.115 -10.836 0.433 1.00 0.00 H +ATOM 958 HE22 GLN A 62 0.904 -10.157 1.609 1.00 0.00 H +ATOM 959 N LEU A 63 -0.955 -4.948 -3.457 1.00 0.00 N +ATOM 960 CA LEU A 63 -1.120 -3.524 -3.758 1.00 0.00 C +ATOM 961 C LEU A 63 -2.194 -3.321 -4.822 1.00 0.00 C +ATOM 962 O LEU A 63 -3.002 -2.398 -4.727 1.00 0.00 O +ATOM 963 CB LEU A 63 0.207 -2.907 -4.207 1.00 0.00 C +ATOM 964 CG LEU A 63 0.070 -1.391 -4.386 1.00 0.00 C +ATOM 965 CD1 LEU A 63 -0.250 -0.704 -3.042 1.00 0.00 C +ATOM 966 CD2 LEU A 63 1.396 -0.859 -4.934 1.00 0.00 C +ATOM 967 H LEU A 63 -0.101 -5.391 -3.657 1.00 0.00 H +ATOM 968 HA LEU A 63 -1.438 -3.032 -2.859 1.00 0.00 H +ATOM 969 HB2 LEU A 63 0.962 -3.101 -3.466 1.00 0.00 H +ATOM 970 HB3 LEU A 63 0.502 -3.345 -5.144 1.00 0.00 H +ATOM 971 HG LEU A 63 -0.721 -1.184 -5.089 1.00 0.00 H +ATOM 972 HD11 LEU A 63 -1.318 -0.703 -2.881 1.00 0.00 H +ATOM 973 HD12 LEU A 63 0.102 0.318 -3.065 1.00 0.00 H +ATOM 974 HD13 LEU A 63 0.237 -1.228 -2.232 1.00 0.00 H +ATOM 975 HD21 LEU A 63 1.577 -1.285 -5.908 1.00 0.00 H +ATOM 976 HD22 LEU A 63 2.197 -1.140 -4.266 1.00 0.00 H +ATOM 977 HD23 LEU A 63 1.355 0.217 -5.010 1.00 0.00 H +ATOM 978 N ILE A 64 -2.215 -4.197 -5.824 1.00 0.00 N +ATOM 979 CA ILE A 64 -3.216 -4.106 -6.876 1.00 0.00 C +ATOM 980 C ILE A 64 -4.603 -4.258 -6.260 1.00 0.00 C +ATOM 981 O ILE A 64 -5.530 -3.527 -6.602 1.00 0.00 O +ATOM 982 CB ILE A 64 -2.963 -5.196 -7.933 1.00 0.00 C +ATOM 983 CG1 ILE A 64 -1.748 -4.805 -8.781 1.00 0.00 C +ATOM 984 CG2 ILE A 64 -4.183 -5.351 -8.847 1.00 0.00 C +ATOM 985 CD1 ILE A 64 -1.292 -6.002 -9.623 1.00 0.00 C +ATOM 986 H ILE A 64 -1.557 -4.920 -5.850 1.00 0.00 H +ATOM 987 HA ILE A 64 -3.143 -3.137 -7.347 1.00 0.00 H +ATOM 988 HB ILE A 64 -2.768 -6.135 -7.435 1.00 0.00 H +ATOM 989 HG12 ILE A 64 -2.023 -3.994 -9.430 1.00 0.00 H +ATOM 990 HG13 ILE A 64 -0.943 -4.487 -8.142 1.00 0.00 H +ATOM 991 HG21 ILE A 64 -4.525 -4.377 -9.161 1.00 0.00 H +ATOM 992 HG22 ILE A 64 -4.973 -5.855 -8.311 1.00 0.00 H +ATOM 993 HG23 ILE A 64 -3.909 -5.934 -9.715 1.00 0.00 H +ATOM 994 HD11 ILE A 64 -2.064 -6.256 -10.336 1.00 0.00 H +ATOM 995 HD12 ILE A 64 -1.105 -6.848 -8.979 1.00 0.00 H +ATOM 996 HD13 ILE A 64 -0.386 -5.745 -10.151 1.00 0.00 H +ATOM 997 N ALA A 65 -4.737 -5.200 -5.337 1.00 0.00 N +ATOM 998 CA ALA A 65 -6.013 -5.406 -4.671 1.00 0.00 C +ATOM 999 C ALA A 65 -6.351 -4.190 -3.820 1.00 0.00 C +ATOM 1000 O ALA A 65 -7.473 -3.689 -3.857 1.00 0.00 O +ATOM 1001 CB ALA A 65 -5.959 -6.655 -3.791 1.00 0.00 C +ATOM 1002 H ALA A 65 -3.970 -5.743 -5.087 1.00 0.00 H +ATOM 1003 HA ALA A 65 -6.776 -5.529 -5.420 1.00 0.00 H +ATOM 1004 HB1 ALA A 65 -5.202 -6.525 -3.031 1.00 0.00 H +ATOM 1005 HB2 ALA A 65 -5.717 -7.514 -4.398 1.00 0.00 H +ATOM 1006 HB3 ALA A 65 -6.920 -6.804 -3.320 1.00 0.00 H +ATOM 1007 N LEU A 66 -5.362 -3.696 -3.083 1.00 0.00 N +ATOM 1008 CA LEU A 66 -5.565 -2.512 -2.260 1.00 0.00 C +ATOM 1009 C LEU A 66 -5.953 -1.371 -3.179 1.00 0.00 C +ATOM 1010 O LEU A 66 -6.857 -0.587 -2.887 1.00 0.00 O +ATOM 1011 CB LEU A 66 -4.281 -2.178 -1.491 1.00 0.00 C +ATOM 1012 CG LEU A 66 -4.391 -0.816 -0.799 1.00 0.00 C +ATOM 1013 CD1 LEU A 66 -5.646 -0.763 0.079 1.00 0.00 C +ATOM 1014 CD2 LEU A 66 -3.152 -0.620 0.079 1.00 0.00 C +ATOM 1015 H LEU A 66 -4.478 -4.120 -3.115 1.00 0.00 H +ATOM 1016 HA LEU A 66 -6.365 -2.702 -1.563 1.00 0.00 H +ATOM 1017 HB2 LEU A 66 -4.104 -2.940 -0.747 1.00 0.00 H +ATOM 1018 HB3 LEU A 66 -3.453 -2.154 -2.179 1.00 0.00 H +ATOM 1019 HG LEU A 66 -4.432 -0.030 -1.540 1.00 0.00 H +ATOM 1020 HD11 LEU A 66 -5.577 0.079 0.749 1.00 0.00 H +ATOM 1021 HD12 LEU A 66 -5.726 -1.675 0.650 1.00 0.00 H +ATOM 1022 HD13 LEU A 66 -6.518 -0.650 -0.546 1.00 0.00 H +ATOM 1023 HD21 LEU A 66 -2.264 -0.731 -0.524 1.00 0.00 H +ATOM 1024 HD22 LEU A 66 -3.148 -1.360 0.866 1.00 0.00 H +ATOM 1025 HD23 LEU A 66 -3.169 0.366 0.513 1.00 0.00 H +ATOM 1026 N ALA A 67 -5.276 -1.325 -4.316 1.00 0.00 N +ATOM 1027 CA ALA A 67 -5.553 -0.328 -5.328 1.00 0.00 C +ATOM 1028 C ALA A 67 -6.956 -0.546 -5.874 1.00 0.00 C +ATOM 1029 O ALA A 67 -7.657 0.405 -6.211 1.00 0.00 O +ATOM 1030 CB ALA A 67 -4.544 -0.456 -6.464 1.00 0.00 C +ATOM 1031 H ALA A 67 -4.595 -2.001 -4.491 1.00 0.00 H +ATOM 1032 HA ALA A 67 -5.483 0.658 -4.894 1.00 0.00 H +ATOM 1033 HB1 ALA A 67 -3.542 -0.423 -6.063 1.00 0.00 H +ATOM 1034 HB2 ALA A 67 -4.681 0.356 -7.162 1.00 0.00 H +ATOM 1035 HB3 ALA A 67 -4.698 -1.396 -6.971 1.00 0.00 H +ATOM 1036 N ALA A 68 -7.357 -1.814 -5.960 1.00 0.00 N +ATOM 1037 CA ALA A 68 -8.684 -2.142 -6.470 1.00 0.00 C +ATOM 1038 C ALA A 68 -9.755 -1.502 -5.593 1.00 0.00 C +ATOM 1039 O ALA A 68 -10.682 -0.868 -6.092 1.00 0.00 O +ATOM 1040 CB ALA A 68 -8.882 -3.658 -6.507 1.00 0.00 C +ATOM 1041 H ALA A 68 -6.752 -2.538 -5.674 1.00 0.00 H +ATOM 1042 HA ALA A 68 -8.777 -1.753 -7.473 1.00 0.00 H +ATOM 1043 HB1 ALA A 68 -9.707 -3.896 -7.163 1.00 0.00 H +ATOM 1044 HB2 ALA A 68 -9.099 -4.021 -5.513 1.00 0.00 H +ATOM 1045 HB3 ALA A 68 -7.984 -4.130 -6.874 1.00 0.00 H +ATOM 1046 N TYR A 69 -9.616 -1.666 -4.282 1.00 0.00 N +ATOM 1047 CA TYR A 69 -10.579 -1.089 -3.351 1.00 0.00 C +ATOM 1048 C TYR A 69 -10.601 0.436 -3.467 1.00 0.00 C +ATOM 1049 O TYR A 69 -11.670 1.044 -3.510 1.00 0.00 O +ATOM 1050 CB TYR A 69 -10.233 -1.489 -1.912 1.00 0.00 C +ATOM 1051 CG TYR A 69 -10.573 -2.947 -1.689 1.00 0.00 C +ATOM 1052 CD1 TYR A 69 -11.907 -3.334 -1.513 1.00 0.00 C +ATOM 1053 CD2 TYR A 69 -9.557 -3.909 -1.652 1.00 0.00 C +ATOM 1054 CE1 TYR A 69 -12.225 -4.681 -1.306 1.00 0.00 C +ATOM 1055 CE2 TYR A 69 -9.875 -5.257 -1.445 1.00 0.00 C +ATOM 1056 CZ TYR A 69 -11.209 -5.643 -1.272 1.00 0.00 C +ATOM 1057 OH TYR A 69 -11.523 -6.971 -1.066 1.00 0.00 O +ATOM 1058 H TYR A 69 -8.854 -2.178 -3.937 1.00 0.00 H +ATOM 1059 HA TYR A 69 -11.562 -1.467 -3.589 1.00 0.00 H +ATOM 1060 HB2 TYR A 69 -9.177 -1.336 -1.741 1.00 0.00 H +ATOM 1061 HB3 TYR A 69 -10.799 -0.881 -1.223 1.00 0.00 H +ATOM 1062 HD1 TYR A 69 -12.692 -2.592 -1.541 1.00 0.00 H +ATOM 1063 HD2 TYR A 69 -8.529 -3.612 -1.783 1.00 0.00 H +ATOM 1064 HE1 TYR A 69 -13.255 -4.978 -1.169 1.00 0.00 H +ATOM 1065 HE2 TYR A 69 -9.090 -5.999 -1.419 1.00 0.00 H +ATOM 1066 HH TYR A 69 -10.812 -7.368 -0.558 1.00 0.00 H +ATOM 1067 N HIS A 70 -9.419 1.052 -3.514 1.00 0.00 N +ATOM 1068 CA HIS A 70 -9.335 2.509 -3.619 1.00 0.00 C +ATOM 1069 C HIS A 70 -9.792 3.006 -4.990 1.00 0.00 C +ATOM 1070 O HIS A 70 -10.607 3.923 -5.087 1.00 0.00 O +ATOM 1071 CB HIS A 70 -7.899 2.968 -3.367 1.00 0.00 C +ATOM 1072 CG HIS A 70 -7.828 4.466 -3.485 1.00 0.00 C +ATOM 1073 ND1 HIS A 70 -8.693 5.303 -2.798 1.00 0.00 N +ATOM 1074 CD2 HIS A 70 -7.006 5.289 -4.212 1.00 0.00 C +ATOM 1075 CE1 HIS A 70 -8.374 6.569 -3.124 1.00 0.00 C +ATOM 1076 NE2 HIS A 70 -7.353 6.617 -3.982 1.00 0.00 N +ATOM 1077 H HIS A 70 -8.593 0.521 -3.476 1.00 0.00 H +ATOM 1078 HA HIS A 70 -9.973 2.946 -2.866 1.00 0.00 H +ATOM 1079 HB2 HIS A 70 -7.594 2.670 -2.375 1.00 0.00 H +ATOM 1080 HB3 HIS A 70 -7.243 2.520 -4.098 1.00 0.00 H +ATOM 1081 HD1 HIS A 70 -9.408 5.024 -2.188 1.00 0.00 H +ATOM 1082 HD2 HIS A 70 -6.211 4.957 -4.862 1.00 0.00 H +ATOM 1083 HE1 HIS A 70 -8.885 7.440 -2.740 1.00 0.00 H +ATOM 1084 N ALA A 71 -9.257 2.404 -6.045 1.00 0.00 N +ATOM 1085 CA ALA A 71 -9.612 2.805 -7.404 1.00 0.00 C +ATOM 1086 C ALA A 71 -11.109 2.637 -7.640 1.00 0.00 C +ATOM 1087 O ALA A 71 -11.694 3.318 -8.483 1.00 0.00 O +ATOM 1088 CB ALA A 71 -8.832 1.976 -8.424 1.00 0.00 C +ATOM 1089 H ALA A 71 -8.608 1.686 -5.907 1.00 0.00 H +ATOM 1090 HA ALA A 71 -9.355 3.846 -7.536 1.00 0.00 H +ATOM 1091 HB1 ALA A 71 -7.772 2.067 -8.228 1.00 0.00 H +ATOM 1092 HB2 ALA A 71 -9.045 2.338 -9.420 1.00 0.00 H +ATOM 1093 HB3 ALA A 71 -9.127 0.943 -8.346 1.00 0.00 H +ATOM 1094 N LYS A 72 -11.727 1.743 -6.876 1.00 0.00 N +ATOM 1095 CA LYS A 72 -13.162 1.514 -6.995 1.00 0.00 C +ATOM 1096 C LYS A 72 -13.923 2.636 -6.297 1.00 0.00 C +ATOM 1097 O LYS A 72 -14.756 3.304 -6.911 1.00 0.00 O +ATOM 1098 CB LYS A 72 -13.530 0.158 -6.376 1.00 0.00 C +ATOM 1099 CG LYS A 72 -13.260 -0.967 -7.392 1.00 0.00 C +ATOM 1100 CD LYS A 72 -13.379 -2.347 -6.721 1.00 0.00 C +ATOM 1101 CE LYS A 72 -13.016 -3.432 -7.736 1.00 0.00 C +ATOM 1102 NZ LYS A 72 -13.060 -4.763 -7.068 1.00 0.00 N +ATOM 1103 H LYS A 72 -11.215 1.251 -6.205 1.00 0.00 H +ATOM 1104 HA LYS A 72 -13.434 1.519 -8.041 1.00 0.00 H +ATOM 1105 HB2 LYS A 72 -12.935 -0.005 -5.489 1.00 0.00 H +ATOM 1106 HB3 LYS A 72 -14.581 0.164 -6.111 1.00 0.00 H +ATOM 1107 HG2 LYS A 72 -13.981 -0.901 -8.192 1.00 0.00 H +ATOM 1108 HG3 LYS A 72 -12.268 -0.851 -7.799 1.00 0.00 H +ATOM 1109 HD2 LYS A 72 -12.699 -2.402 -5.882 1.00 0.00 H +ATOM 1110 HD3 LYS A 72 -14.390 -2.510 -6.379 1.00 0.00 H +ATOM 1111 HE2 LYS A 72 -13.724 -3.415 -8.551 1.00 0.00 H +ATOM 1112 HE3 LYS A 72 -12.022 -3.253 -8.117 1.00 0.00 H +ATOM 1113 HZ1 LYS A 72 -13.492 -4.665 -6.127 1.00 0.00 H +ATOM 1114 HZ2 LYS A 72 -12.092 -5.132 -6.968 1.00 0.00 H +ATOM 1115 HZ3 LYS A 72 -13.626 -5.420 -7.639 1.00 0.00 H +ATOM 1116 N HIS A 73 -13.629 2.851 -5.018 1.00 0.00 N +ATOM 1117 CA HIS A 73 -14.295 3.904 -4.279 1.00 0.00 C +ATOM 1118 C HIS A 73 -14.056 5.241 -4.958 1.00 0.00 C +ATOM 1119 O HIS A 73 -14.977 6.046 -5.098 1.00 0.00 O +ATOM 1120 CB HIS A 73 -13.797 3.931 -2.832 1.00 0.00 C +ATOM 1121 CG HIS A 73 -14.518 5.002 -2.062 1.00 0.00 C +ATOM 1122 ND1 HIS A 73 -13.896 6.182 -1.684 1.00 0.00 N +ATOM 1123 CD2 HIS A 73 -15.802 5.085 -1.581 1.00 0.00 C +ATOM 1124 CE1 HIS A 73 -14.798 6.918 -1.009 1.00 0.00 C +ATOM 1125 NE2 HIS A 73 -15.977 6.295 -0.917 1.00 0.00 N +ATOM 1126 H HIS A 73 -12.962 2.296 -4.568 1.00 0.00 H +ATOM 1127 HA HIS A 73 -15.349 3.703 -4.291 1.00 0.00 H +ATOM 1128 HB2 HIS A 73 -13.984 2.972 -2.372 1.00 0.00 H +ATOM 1129 HB3 HIS A 73 -12.737 4.133 -2.821 1.00 0.00 H +ATOM 1130 HD1 HIS A 73 -12.968 6.433 -1.873 1.00 0.00 H +ATOM 1131 HD2 HIS A 73 -16.561 4.326 -1.700 1.00 0.00 H +ATOM 1132 HE1 HIS A 73 -14.593 7.893 -0.591 1.00 0.00 H +ATOM 1133 N CYS A 74 -12.833 5.462 -5.425 1.00 0.00 N +ATOM 1134 CA CYS A 74 -12.533 6.690 -6.135 1.00 0.00 C +ATOM 1135 C CYS A 74 -13.125 6.578 -7.530 1.00 0.00 C +ATOM 1136 O CYS A 74 -12.597 5.867 -8.384 1.00 0.00 O +ATOM 1137 CB CYS A 74 -11.022 6.902 -6.216 1.00 0.00 C +ATOM 1138 SG CYS A 74 -10.679 8.535 -6.913 1.00 0.00 S +ATOM 1139 H CYS A 74 -12.140 4.777 -5.329 1.00 0.00 H +ATOM 1140 HA CYS A 74 -12.986 7.524 -5.623 1.00 0.00 H +ATOM 1141 HB2 CYS A 74 -10.597 6.836 -5.225 1.00 0.00 H +ATOM 1142 HB3 CYS A 74 -10.586 6.142 -6.847 1.00 0.00 H +ATOM 1143 HG CYS A 74 -9.832 8.831 -6.572 1.00 0.00 H +ATOM 1144 N GLN A 75 -14.245 7.258 -7.748 1.00 0.00 N +ATOM 1145 CA GLN A 75 -14.924 7.198 -9.034 1.00 0.00 C +ATOM 1146 C GLN A 75 -14.237 8.123 -10.025 1.00 0.00 C +ATOM 1147 O GLN A 75 -14.590 8.190 -11.202 1.00 0.00 O +ATOM 1148 CB GLN A 75 -16.399 7.601 -8.849 1.00 0.00 C +ATOM 1149 CG GLN A 75 -17.229 7.264 -10.095 1.00 0.00 C +ATOM 1150 CD GLN A 75 -17.260 5.756 -10.317 1.00 0.00 C +ATOM 1151 OE1 GLN A 75 -17.410 4.992 -9.364 1.00 0.00 O +ATOM 1152 NE2 GLN A 75 -17.124 5.280 -11.524 1.00 0.00 N +ATOM 1153 H GLN A 75 -14.635 7.788 -7.024 1.00 0.00 H +ATOM 1154 HA GLN A 75 -14.871 6.188 -9.397 1.00 0.00 H +ATOM 1155 HB2 GLN A 75 -16.805 7.071 -8.000 1.00 0.00 H +ATOM 1156 HB3 GLN A 75 -16.455 8.664 -8.663 1.00 0.00 H +ATOM 1157 HG2 GLN A 75 -18.239 7.620 -9.953 1.00 0.00 H +ATOM 1158 HG3 GLN A 75 -16.806 7.745 -10.960 1.00 0.00 H +ATOM 1159 HE21 GLN A 75 -17.002 5.890 -12.281 1.00 0.00 H +ATOM 1160 HE22 GLN A 75 -17.142 4.311 -11.673 1.00 0.00 H +ATOM 1161 N GLU A 76 -13.239 8.830 -9.528 1.00 0.00 N +ATOM 1162 CA GLU A 76 -12.474 9.764 -10.348 1.00 0.00 C +ATOM 1163 C GLU A 76 -11.097 9.212 -10.629 1.00 0.00 C +ATOM 1164 O GLU A 76 -10.463 8.611 -9.762 1.00 0.00 O +ATOM 1165 CB GLU A 76 -12.360 11.113 -9.636 1.00 0.00 C +ATOM 1166 CG GLU A 76 -11.624 12.108 -10.535 1.00 0.00 C +ATOM 1167 CD GLU A 76 -11.610 13.486 -9.884 1.00 0.00 C +ATOM 1168 OE1 GLU A 76 -11.950 13.571 -8.715 1.00 0.00 O +ATOM 1169 OE2 GLU A 76 -11.262 14.437 -10.564 1.00 0.00 O +ATOM 1170 H GLU A 76 -13.005 8.712 -8.588 1.00 0.00 H +ATOM 1171 HA GLU A 76 -12.973 9.910 -11.291 1.00 0.00 H +ATOM 1172 HB2 GLU A 76 -13.349 11.488 -9.419 1.00 0.00 H +ATOM 1173 HB3 GLU A 76 -11.812 10.989 -8.714 1.00 0.00 H +ATOM 1174 HG2 GLU A 76 -10.607 11.774 -10.683 1.00 0.00 H +ATOM 1175 HG3 GLU A 76 -12.124 12.169 -11.489 1.00 0.00 H +ATOM 1176 N ASN A 77 -10.634 9.429 -11.850 1.00 0.00 N +ATOM 1177 CA ASN A 77 -9.325 8.956 -12.232 1.00 0.00 C +ATOM 1178 C ASN A 77 -8.291 9.919 -11.697 1.00 0.00 C +ATOM 1179 O ASN A 77 -7.889 10.850 -12.395 1.00 0.00 O +ATOM 1180 CB ASN A 77 -9.213 8.870 -13.757 1.00 0.00 C +ATOM 1181 CG ASN A 77 -7.778 8.554 -14.166 1.00 0.00 C +ATOM 1182 OD1 ASN A 77 -7.189 7.584 -13.687 1.00 0.00 O +ATOM 1183 ND2 ASN A 77 -7.175 9.326 -15.031 1.00 0.00 N +ATOM 1184 H ASN A 77 -11.176 9.925 -12.496 1.00 0.00 H +ATOM 1185 HA ASN A 77 -9.169 7.979 -11.806 1.00 0.00 H +ATOM 1186 HB2 ASN A 77 -9.869 8.094 -14.121 1.00 0.00 H +ATOM 1187 HB3 ASN A 77 -9.503 9.817 -14.186 1.00 0.00 H +ATOM 1188 HD21 ASN A 77 -7.646 10.098 -15.409 1.00 0.00 H +ATOM 1189 HD22 ASN A 77 -6.252 9.136 -15.300 1.00 0.00 H +ATOM 1190 N LYS A 78 -7.881 9.705 -10.444 1.00 0.00 N +ATOM 1191 CA LYS A 78 -6.901 10.583 -9.801 1.00 0.00 C +ATOM 1192 C LYS A 78 -5.912 11.127 -10.832 1.00 0.00 C +ATOM 1193 O LYS A 78 -5.952 12.317 -11.136 1.00 0.00 O +ATOM 1194 CB LYS A 78 -6.162 9.830 -8.680 1.00 0.00 C +ATOM 1195 CG LYS A 78 -7.042 9.725 -7.422 1.00 0.00 C +ATOM 1196 CD LYS A 78 -7.048 11.063 -6.657 1.00 0.00 C +ATOM 1197 CE LYS A 78 -7.838 10.921 -5.353 1.00 0.00 C +ATOM 1198 NZ LYS A 78 -7.986 12.264 -4.727 1.00 0.00 N +ATOM 1199 H LYS A 78 -8.262 8.954 -9.938 1.00 0.00 H +ATOM 1200 HA LYS A 78 -7.431 11.415 -9.380 1.00 0.00 H +ATOM 1201 HB2 LYS A 78 -5.913 8.835 -9.021 1.00 0.00 H +ATOM 1202 HB3 LYS A 78 -5.257 10.357 -8.432 1.00 0.00 H +ATOM 1203 HG2 LYS A 78 -8.051 9.474 -7.715 1.00 0.00 H +ATOM 1204 HG3 LYS A 78 -6.652 8.948 -6.782 1.00 0.00 H +ATOM 1205 HD2 LYS A 78 -6.033 11.348 -6.429 1.00 0.00 H +ATOM 1206 HD3 LYS A 78 -7.506 11.829 -7.256 1.00 0.00 H +ATOM 1207 HE2 LYS A 78 -8.816 10.511 -5.560 1.00 0.00 H +ATOM 1208 HE3 LYS A 78 -7.307 10.267 -4.677 1.00 0.00 H +ATOM 1209 HZ1 LYS A 78 -7.463 12.290 -3.829 1.00 0.00 H +ATOM 1210 HZ2 LYS A 78 -8.994 12.455 -4.548 1.00 0.00 H +ATOM 1211 HZ3 LYS A 78 -7.606 12.989 -5.368 1.00 0.00 H +ATOM 1212 N CYS A 79 -5.086 10.227 -11.394 1.00 0.00 N +ATOM 1213 CA CYS A 79 -4.109 10.555 -12.452 1.00 0.00 C +ATOM 1214 C CYS A 79 -2.693 10.057 -12.124 1.00 0.00 C +ATOM 1215 O CYS A 79 -2.152 9.252 -12.880 1.00 0.00 O +ATOM 1216 CB CYS A 79 -4.083 12.048 -12.819 1.00 0.00 C +ATOM 1217 SG CYS A 79 -2.747 12.344 -14.006 1.00 0.00 S +ATOM 1218 H CYS A 79 -5.166 9.290 -11.116 1.00 0.00 H +ATOM 1219 HA CYS A 79 -4.425 10.019 -13.336 1.00 0.00 H +ATOM 1220 HB2 CYS A 79 -5.031 12.318 -13.269 1.00 0.00 H +ATOM 1221 HB3 CYS A 79 -3.918 12.646 -11.945 1.00 0.00 H +ATOM 1222 HG CYS A 79 -3.037 12.030 -14.864 1.00 0.00 H +ATOM 1223 N PRO A 80 -2.062 10.490 -11.053 1.00 0.00 N +ATOM 1224 CA PRO A 80 -0.681 10.022 -10.723 1.00 0.00 C +ATOM 1225 C PRO A 80 -0.647 8.531 -10.370 1.00 0.00 C +ATOM 1226 O PRO A 80 0.348 7.860 -10.621 1.00 0.00 O +ATOM 1227 CB PRO A 80 -0.301 10.878 -9.509 1.00 0.00 C +ATOM 1228 CG PRO A 80 -1.603 11.161 -8.865 1.00 0.00 C +ATOM 1229 CD PRO A 80 -2.546 11.437 -10.032 1.00 0.00 C +ATOM 1230 HA PRO A 80 -0.009 10.231 -11.540 1.00 0.00 H +ATOM 1231 HB2 PRO A 80 0.352 10.335 -8.856 1.00 0.00 H +ATOM 1232 HB3 PRO A 80 0.160 11.794 -9.809 1.00 0.00 H +ATOM 1233 HG2 PRO A 80 -1.924 10.296 -8.307 1.00 0.00 H +ATOM 1234 HG3 PRO A 80 -1.537 12.027 -8.225 1.00 0.00 H +ATOM 1235 HD2 PRO A 80 -3.568 11.237 -9.757 1.00 0.00 H +ATOM 1236 HD3 PRO A 80 -2.421 12.452 -10.369 1.00 0.00 H +ATOM 1237 N VAL A 81 -1.736 8.027 -9.780 1.00 0.00 N +ATOM 1238 CA VAL A 81 -1.806 6.617 -9.388 1.00 0.00 C +ATOM 1239 C VAL A 81 -1.746 5.717 -10.636 1.00 0.00 C +ATOM 1240 O VAL A 81 -2.687 5.721 -11.430 1.00 0.00 O +ATOM 1241 CB VAL A 81 -3.114 6.354 -8.628 1.00 0.00 C +ATOM 1242 CG1 VAL A 81 -3.010 5.032 -7.860 1.00 0.00 C +ATOM 1243 CG2 VAL A 81 -3.382 7.494 -7.641 1.00 0.00 C +ATOM 1244 H VAL A 81 -2.501 8.610 -9.603 1.00 0.00 H +ATOM 1245 HA VAL A 81 -0.984 6.403 -8.732 1.00 0.00 H +ATOM 1246 HB VAL A 81 -3.924 6.293 -9.330 1.00 0.00 H +ATOM 1247 HG11 VAL A 81 -2.743 4.239 -8.542 1.00 0.00 H +ATOM 1248 HG12 VAL A 81 -3.961 4.808 -7.398 1.00 0.00 H +ATOM 1249 HG13 VAL A 81 -2.252 5.120 -7.096 1.00 0.00 H +ATOM 1250 HG21 VAL A 81 -3.709 8.369 -8.181 1.00 0.00 H +ATOM 1251 HG22 VAL A 81 -2.480 7.723 -7.100 1.00 0.00 H +ATOM 1252 HG23 VAL A 81 -4.153 7.196 -6.943 1.00 0.00 H +ATOM 1253 N PRO A 82 -0.679 4.963 -10.856 1.00 0.00 N +ATOM 1254 CA PRO A 82 -0.569 4.087 -12.071 1.00 0.00 C +ATOM 1255 C PRO A 82 -1.745 3.124 -12.263 1.00 0.00 C +ATOM 1256 O PRO A 82 -2.309 3.021 -13.352 1.00 0.00 O +ATOM 1257 CB PRO A 82 0.721 3.284 -11.826 1.00 0.00 C +ATOM 1258 CG PRO A 82 1.535 4.116 -10.893 1.00 0.00 C +ATOM 1259 CD PRO A 82 0.530 4.847 -10.002 1.00 0.00 C +ATOM 1260 HA PRO A 82 -0.444 4.695 -12.952 1.00 0.00 H +ATOM 1261 HB2 PRO A 82 0.493 2.327 -11.370 1.00 0.00 H +ATOM 1262 HB3 PRO A 82 1.248 3.132 -12.747 1.00 0.00 H +ATOM 1263 HG2 PRO A 82 2.183 3.485 -10.296 1.00 0.00 H +ATOM 1264 HG3 PRO A 82 2.121 4.835 -11.446 1.00 0.00 H +ATOM 1265 HD2 PRO A 82 0.318 4.264 -9.112 1.00 0.00 H +ATOM 1266 HD3 PRO A 82 0.908 5.819 -9.738 1.00 0.00 H +ATOM 1267 N PHE A 83 -2.063 2.390 -11.210 1.00 0.00 N +ATOM 1268 CA PHE A 83 -3.127 1.389 -11.272 1.00 0.00 C +ATOM 1269 C PHE A 83 -4.476 1.998 -11.635 1.00 0.00 C +ATOM 1270 O PHE A 83 -5.192 1.463 -12.483 1.00 0.00 O +ATOM 1271 CB PHE A 83 -3.252 0.673 -9.925 1.00 0.00 C +ATOM 1272 CG PHE A 83 -1.880 0.520 -9.312 1.00 0.00 C +ATOM 1273 CD1 PHE A 83 -0.847 -0.077 -10.046 1.00 0.00 C +ATOM 1274 CD2 PHE A 83 -1.643 0.977 -8.011 1.00 0.00 C +ATOM 1275 CE1 PHE A 83 0.425 -0.214 -9.478 1.00 0.00 C +ATOM 1276 CE2 PHE A 83 -0.373 0.837 -7.442 1.00 0.00 C +ATOM 1277 CZ PHE A 83 0.661 0.241 -8.177 1.00 0.00 C +ATOM 1278 H PHE A 83 -1.542 2.492 -10.389 1.00 0.00 H +ATOM 1279 HA PHE A 83 -2.865 0.660 -12.022 1.00 0.00 H +ATOM 1280 HB2 PHE A 83 -3.885 1.248 -9.262 1.00 0.00 H +ATOM 1281 HB3 PHE A 83 -3.688 -0.305 -10.076 1.00 0.00 H +ATOM 1282 HD1 PHE A 83 -1.032 -0.428 -11.050 1.00 0.00 H +ATOM 1283 HD2 PHE A 83 -2.442 1.441 -7.447 1.00 0.00 H +ATOM 1284 HE1 PHE A 83 1.222 -0.674 -10.043 1.00 0.00 H +ATOM 1285 HE2 PHE A 83 -0.191 1.186 -6.438 1.00 0.00 H +ATOM 1286 HZ PHE A 83 1.643 0.137 -7.740 1.00 0.00 H +ATOM 1287 N CYS A 84 -4.835 3.098 -10.989 1.00 0.00 N +ATOM 1288 CA CYS A 84 -6.120 3.721 -11.271 1.00 0.00 C +ATOM 1289 C CYS A 84 -6.261 3.946 -12.767 1.00 0.00 C +ATOM 1290 O CYS A 84 -7.299 3.659 -13.352 1.00 0.00 O +ATOM 1291 CB CYS A 84 -6.267 5.045 -10.506 1.00 0.00 C +ATOM 1292 SG CYS A 84 -5.526 6.411 -11.444 1.00 0.00 S +ATOM 1293 H CYS A 84 -4.240 3.483 -10.312 1.00 0.00 H +ATOM 1294 HA CYS A 84 -6.900 3.046 -10.950 1.00 0.00 H +ATOM 1295 HB2 CYS A 84 -7.316 5.254 -10.351 1.00 0.00 H +ATOM 1296 HB3 CYS A 84 -5.779 4.955 -9.547 1.00 0.00 H +ATOM 1297 HG CYS A 84 -5.508 6.162 -12.371 1.00 0.00 H +ATOM 1298 N LEU A 85 -5.201 4.436 -13.386 1.00 0.00 N +ATOM 1299 CA LEU A 85 -5.226 4.667 -14.819 1.00 0.00 C +ATOM 1300 C LEU A 85 -5.420 3.333 -15.544 1.00 0.00 C +ATOM 1301 O LEU A 85 -6.138 3.244 -16.530 1.00 0.00 O +ATOM 1302 CB LEU A 85 -3.905 5.315 -15.273 1.00 0.00 C +ATOM 1303 CG LEU A 85 -3.880 6.819 -14.916 1.00 0.00 C +ATOM 1304 CD1 LEU A 85 -2.432 7.340 -14.965 1.00 0.00 C +ATOM 1305 CD2 LEU A 85 -4.727 7.628 -15.916 1.00 0.00 C +ATOM 1306 H LEU A 85 -4.388 4.632 -12.875 1.00 0.00 H +ATOM 1307 HA LEU A 85 -6.048 5.318 -15.059 1.00 0.00 H +ATOM 1308 HB2 LEU A 85 -3.084 4.816 -14.780 1.00 0.00 H +ATOM 1309 HB3 LEU A 85 -3.799 5.196 -16.342 1.00 0.00 H +ATOM 1310 HG LEU A 85 -4.274 6.956 -13.918 1.00 0.00 H +ATOM 1311 HD11 LEU A 85 -2.437 8.418 -15.051 1.00 0.00 H +ATOM 1312 HD12 LEU A 85 -1.921 6.919 -15.818 1.00 0.00 H +ATOM 1313 HD13 LEU A 85 -1.915 7.058 -14.059 1.00 0.00 H +ATOM 1314 HD21 LEU A 85 -4.497 8.680 -15.810 1.00 0.00 H +ATOM 1315 HD22 LEU A 85 -5.774 7.473 -15.719 1.00 0.00 H +ATOM 1316 HD23 LEU A 85 -4.498 7.317 -16.924 1.00 0.00 H +ATOM 1317 N ASN A 86 -4.768 2.301 -15.048 1.00 0.00 N +ATOM 1318 CA ASN A 86 -4.855 0.987 -15.662 1.00 0.00 C +ATOM 1319 C ASN A 86 -6.241 0.375 -15.510 1.00 0.00 C +ATOM 1320 O ASN A 86 -6.643 -0.455 -16.315 1.00 0.00 O +ATOM 1321 CB ASN A 86 -3.825 0.062 -15.033 1.00 0.00 C +ATOM 1322 CG ASN A 86 -2.420 0.530 -15.392 1.00 0.00 C +ATOM 1323 OD1 ASN A 86 -2.233 1.247 -16.376 1.00 0.00 O +ATOM 1324 ND2 ASN A 86 -1.415 0.168 -14.644 1.00 0.00 N +ATOM 1325 H ASN A 86 -4.219 2.422 -14.258 1.00 0.00 H +ATOM 1326 HA ASN A 86 -4.633 1.083 -16.712 1.00 0.00 H +ATOM 1327 HB2 ASN A 86 -3.947 0.068 -13.964 1.00 0.00 H +ATOM 1328 HB3 ASN A 86 -3.972 -0.938 -15.405 1.00 0.00 H +ATOM 1329 HD21 ASN A 86 -1.570 -0.398 -13.860 1.00 0.00 H +ATOM 1330 HD22 ASN A 86 -0.509 0.464 -14.864 1.00 0.00 H +ATOM 1331 N ILE A 87 -6.958 0.750 -14.458 1.00 0.00 N +ATOM 1332 CA ILE A 87 -8.293 0.201 -14.217 1.00 0.00 C +ATOM 1333 C ILE A 87 -9.398 1.155 -14.677 1.00 0.00 C +ATOM 1334 O ILE A 87 -10.368 0.737 -15.310 1.00 0.00 O +ATOM 1335 CB ILE A 87 -8.450 -0.124 -12.732 1.00 0.00 C +ATOM 1336 CG1 ILE A 87 -7.477 -1.252 -12.378 1.00 0.00 C +ATOM 1337 CG2 ILE A 87 -9.882 -0.577 -12.449 1.00 0.00 C +ATOM 1338 CD1 ILE A 87 -7.403 -1.415 -10.862 1.00 0.00 C +ATOM 1339 H ILE A 87 -6.586 1.401 -13.830 1.00 0.00 H +ATOM 1340 HA ILE A 87 -8.398 -0.722 -14.773 1.00 0.00 H +ATOM 1341 HB ILE A 87 -8.221 0.752 -12.143 1.00 0.00 H +ATOM 1342 HG12 ILE A 87 -7.821 -2.174 -12.824 1.00 0.00 H +ATOM 1343 HG13 ILE A 87 -6.496 -1.014 -12.761 1.00 0.00 H +ATOM 1344 HG21 ILE A 87 -10.184 -1.301 -13.193 1.00 0.00 H +ATOM 1345 HG22 ILE A 87 -10.544 0.275 -12.488 1.00 0.00 H +ATOM 1346 HG23 ILE A 87 -9.931 -1.027 -11.468 1.00 0.00 H +ATOM 1347 HD11 ILE A 87 -8.400 -1.535 -10.465 1.00 0.00 H +ATOM 1348 HD12 ILE A 87 -6.944 -0.540 -10.430 1.00 0.00 H +ATOM 1349 HD13 ILE A 87 -6.812 -2.287 -10.622 1.00 0.00 H +ATOM 1350 N LYS A 88 -9.256 2.435 -14.328 1.00 0.00 N +ATOM 1351 CA LYS A 88 -10.271 3.443 -14.686 1.00 0.00 C +ATOM 1352 C LYS A 88 -10.083 4.005 -16.100 1.00 0.00 C +ATOM 1353 O LYS A 88 -11.069 4.258 -16.794 1.00 0.00 O +ATOM 1354 CB LYS A 88 -10.299 4.593 -13.651 1.00 0.00 C +ATOM 1355 CG LYS A 88 -11.065 4.180 -12.373 1.00 0.00 C +ATOM 1356 CD LYS A 88 -12.583 4.141 -12.632 1.00 0.00 C +ATOM 1357 CE LYS A 88 -13.328 4.121 -11.295 1.00 0.00 C +ATOM 1358 NZ LYS A 88 -14.786 3.968 -11.552 1.00 0.00 N +ATOM 1359 H LYS A 88 -8.465 2.701 -13.817 1.00 0.00 H +ATOM 1360 HA LYS A 88 -11.230 2.959 -14.668 1.00 0.00 H +ATOM 1361 HB2 LYS A 88 -9.287 4.850 -13.381 1.00 0.00 H +ATOM 1362 HB3 LYS A 88 -10.777 5.458 -14.085 1.00 0.00 H +ATOM 1363 HG2 LYS A 88 -10.736 3.202 -12.057 1.00 0.00 H +ATOM 1364 HG3 LYS A 88 -10.862 4.896 -11.588 1.00 0.00 H +ATOM 1365 HD2 LYS A 88 -12.879 5.015 -13.194 1.00 0.00 H +ATOM 1366 HD3 LYS A 88 -12.842 3.254 -13.184 1.00 0.00 H +ATOM 1367 HE2 LYS A 88 -12.976 3.293 -10.697 1.00 0.00 H +ATOM 1368 HE3 LYS A 88 -13.149 5.047 -10.770 1.00 0.00 H +ATOM 1369 HZ1 LYS A 88 -14.984 4.163 -12.554 1.00 0.00 H +ATOM 1370 HZ2 LYS A 88 -15.316 4.637 -10.956 1.00 0.00 H +ATOM 1371 HZ3 LYS A 88 -15.078 2.997 -11.327 1.00 0.00 H +ATOM 1372 N GLN A 89 -8.840 4.210 -16.541 1.00 0.00 N +ATOM 1373 CA GLN A 89 -8.623 4.749 -17.890 1.00 0.00 C +ATOM 1374 C GLN A 89 -8.798 3.650 -18.932 1.00 0.00 C +ATOM 1375 O GLN A 89 -9.273 3.907 -20.038 1.00 0.00 O +ATOM 1376 CB GLN A 89 -7.227 5.374 -18.027 1.00 0.00 C +ATOM 1377 CG GLN A 89 -7.199 6.335 -19.216 1.00 0.00 C +ATOM 1378 CD GLN A 89 -5.795 6.906 -19.367 1.00 0.00 C +ATOM 1379 OE1 GLN A 89 -4.815 6.171 -19.268 1.00 0.00 O +ATOM 1380 NE2 GLN A 89 -5.638 8.180 -19.593 1.00 0.00 N +ATOM 1381 H GLN A 89 -8.074 3.996 -15.969 1.00 0.00 H +ATOM 1382 HA GLN A 89 -9.367 5.511 -18.079 1.00 0.00 H +ATOM 1383 HB2 GLN A 89 -6.979 5.910 -17.124 1.00 0.00 H +ATOM 1384 HB3 GLN A 89 -6.499 4.600 -18.199 1.00 0.00 H +ATOM 1385 HG2 GLN A 89 -7.471 5.803 -20.117 1.00 0.00 H +ATOM 1386 HG3 GLN A 89 -7.898 7.140 -19.047 1.00 0.00 H +ATOM 1387 HE21 GLN A 89 -6.420 8.766 -19.666 1.00 0.00 H +ATOM 1388 HE22 GLN A 89 -4.737 8.551 -19.689 1.00 0.00 H +ATOM 1389 N LYS A 90 -8.419 2.419 -18.581 1.00 0.00 N +ATOM 1390 CA LYS A 90 -8.557 1.301 -19.519 1.00 0.00 C +ATOM 1391 C LYS A 90 -9.874 0.569 -19.280 1.00 0.00 C +ATOM 1392 O LYS A 90 -10.414 0.704 -18.194 1.00 0.00 O +ATOM 1393 CB LYS A 90 -7.408 0.316 -19.343 1.00 0.00 C +ATOM 1394 CG LYS A 90 -6.075 1.012 -19.636 1.00 0.00 C +ATOM 1395 CD LYS A 90 -4.930 0.005 -19.494 1.00 0.00 C +ATOM 1396 CE LYS A 90 -3.596 0.706 -19.763 1.00 0.00 C +ATOM 1397 NZ LYS A 90 -2.481 -0.274 -19.628 1.00 0.00 N +ATOM 1398 OXT LYS A 90 -10.319 -0.120 -20.183 1.00 0.00 O +ATOM 1399 H LYS A 90 -8.047 2.259 -17.676 1.00 0.00 H +ATOM 1400 HA LYS A 90 -8.547 1.677 -20.534 1.00 0.00 H +ATOM 1401 HB2 LYS A 90 -7.413 -0.046 -18.335 1.00 0.00 H +ATOM 1402 HB3 LYS A 90 -7.536 -0.511 -20.022 1.00 0.00 H +ATOM 1403 HG2 LYS A 90 -6.088 1.406 -20.642 1.00 0.00 H +ATOM 1404 HG3 LYS A 90 -5.930 1.818 -18.933 1.00 0.00 H +ATOM 1405 HD2 LYS A 90 -4.930 -0.403 -18.493 1.00 0.00 H +ATOM 1406 HD3 LYS A 90 -5.063 -0.795 -20.208 1.00 0.00 H +ATOM 1407 HE2 LYS A 90 -3.599 1.114 -20.762 1.00 0.00 H +ATOM 1408 HE3 LYS A 90 -3.461 1.504 -19.048 1.00 0.00 H +ATOM 1409 HZ1 LYS A 90 -1.594 0.233 -19.437 1.00 0.00 H +ATOM 1410 HZ2 LYS A 90 -2.388 -0.816 -20.512 1.00 0.00 H +ATOM 1411 HZ3 LYS A 90 -2.683 -0.925 -18.843 1.00 0.00 H +TER 1412 LYS A 90 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_P53TAD_2K8FA_2K8FA/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_P53TAD_2K8FA_2K8FA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..18ca8df233f0d4944dac26bfae66bac20984cbf3 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_P53TAD_2K8FA_2K8FA/state_b.pdb @@ -0,0 +1,1415 @@ +MODEL 1 +ATOM 1 N ALA A 1 -18.098 0.120 19.451 1.00 0.00 N +ATOM 2 CA ALA A 1 -17.807 -1.181 20.118 1.00 0.00 C +ATOM 3 C ALA A 1 -17.516 -2.238 19.057 1.00 0.00 C +ATOM 4 O ALA A 1 -17.028 -3.325 19.367 1.00 0.00 O +ATOM 5 CB ALA A 1 -19.014 -1.601 20.958 1.00 0.00 C +ATOM 6 H1 ALA A 1 -18.072 0.885 20.154 1.00 0.00 H +ATOM 7 H2 ALA A 1 -19.043 0.081 19.016 1.00 0.00 H +ATOM 8 H3 ALA A 1 -17.385 0.301 18.717 1.00 0.00 H +ATOM 9 HA ALA A 1 -16.944 -1.070 20.758 1.00 0.00 H +ATOM 10 HB1 ALA A 1 -18.800 -2.537 21.451 1.00 0.00 H +ATOM 11 HB2 ALA A 1 -19.875 -1.721 20.317 1.00 0.00 H +ATOM 12 HB3 ALA A 1 -19.220 -0.843 21.699 1.00 0.00 H +ATOM 13 N THR A 2 -17.824 -1.911 17.807 1.00 0.00 N +ATOM 14 CA THR A 2 -17.595 -2.842 16.705 1.00 0.00 C +ATOM 15 C THR A 2 -16.102 -3.082 16.502 1.00 0.00 C +ATOM 16 O THR A 2 -15.698 -4.164 16.073 1.00 0.00 O +ATOM 17 CB THR A 2 -18.202 -2.287 15.416 1.00 0.00 C +ATOM 18 OG1 THR A 2 -17.659 -1.001 15.153 1.00 0.00 O +ATOM 19 CG2 THR A 2 -19.720 -2.183 15.569 1.00 0.00 C +ATOM 20 H THR A 2 -18.213 -1.032 17.621 1.00 0.00 H +ATOM 21 HA THR A 2 -18.072 -3.781 16.938 1.00 0.00 H +ATOM 22 HB THR A 2 -17.972 -2.949 14.596 1.00 0.00 H +ATOM 23 HG1 THR A 2 -18.307 -0.345 15.421 1.00 0.00 H +ATOM 24 HG21 THR A 2 -20.148 -1.795 14.658 1.00 0.00 H +ATOM 25 HG22 THR A 2 -19.954 -1.522 16.390 1.00 0.00 H +ATOM 26 HG23 THR A 2 -20.129 -3.164 15.770 1.00 0.00 H +ATOM 27 N GLN A 3 -15.295 -2.057 16.797 1.00 0.00 N +ATOM 28 CA GLN A 3 -13.836 -2.132 16.637 1.00 0.00 C +ATOM 29 C GLN A 3 -13.319 -3.560 16.810 1.00 0.00 C +ATOM 30 O GLN A 3 -13.691 -4.256 17.756 1.00 0.00 O +ATOM 31 CB GLN A 3 -13.161 -1.224 17.669 1.00 0.00 C +ATOM 32 CG GLN A 3 -13.499 0.237 17.364 1.00 0.00 C +ATOM 33 CD GLN A 3 -12.859 1.148 18.407 1.00 0.00 C +ATOM 34 OE1 GLN A 3 -13.200 1.079 19.588 1.00 0.00 O +ATOM 35 NE2 GLN A 3 -11.946 2.006 18.037 1.00 0.00 N +ATOM 36 H GLN A 3 -15.693 -1.220 17.114 1.00 0.00 H +ATOM 37 HA GLN A 3 -13.573 -1.781 15.649 1.00 0.00 H +ATOM 38 HB2 GLN A 3 -13.514 -1.477 18.658 1.00 0.00 H +ATOM 39 HB3 GLN A 3 -12.091 -1.360 17.623 1.00 0.00 H +ATOM 40 HG2 GLN A 3 -13.126 0.495 16.384 1.00 0.00 H +ATOM 41 HG3 GLN A 3 -14.570 0.369 17.386 1.00 0.00 H +ATOM 42 HE21 GLN A 3 -11.677 2.059 17.096 1.00 0.00 H +ATOM 43 HE22 GLN A 3 -11.529 2.593 18.701 1.00 0.00 H +ATOM 44 N SER A 4 -12.473 -3.987 15.883 1.00 0.00 N +ATOM 45 CA SER A 4 -11.919 -5.332 15.923 1.00 0.00 C +ATOM 46 C SER A 4 -10.759 -5.436 14.937 1.00 0.00 C +ATOM 47 O SER A 4 -10.408 -4.452 14.286 1.00 0.00 O +ATOM 48 CB SER A 4 -13.030 -6.342 15.587 1.00 0.00 C +ATOM 49 OG SER A 4 -12.964 -7.438 16.489 1.00 0.00 O +ATOM 50 H SER A 4 -12.223 -3.387 15.148 1.00 0.00 H +ATOM 51 HA SER A 4 -11.550 -5.531 16.912 1.00 0.00 H +ATOM 52 HB2 SER A 4 -13.989 -5.863 15.694 1.00 0.00 H +ATOM 53 HB3 SER A 4 -12.925 -6.691 14.567 1.00 0.00 H +ATOM 54 HG SER A 4 -12.920 -7.084 17.381 1.00 0.00 H +ATOM 55 N PRO A 5 -10.168 -6.592 14.793 1.00 0.00 N +ATOM 56 CA PRO A 5 -9.049 -6.781 13.840 1.00 0.00 C +ATOM 57 C PRO A 5 -9.503 -6.344 12.474 1.00 0.00 C +ATOM 58 O PRO A 5 -8.742 -5.789 11.690 1.00 0.00 O +ATOM 59 CB PRO A 5 -8.761 -8.285 13.906 1.00 0.00 C +ATOM 60 CG PRO A 5 -9.224 -8.663 15.265 1.00 0.00 C +ATOM 61 CD PRO A 5 -10.486 -7.838 15.492 1.00 0.00 C +ATOM 62 HA PRO A 5 -8.186 -6.224 14.157 1.00 0.00 H +ATOM 63 HB2 PRO A 5 -9.326 -8.818 13.149 1.00 0.00 H +ATOM 64 HB3 PRO A 5 -7.704 -8.480 13.801 1.00 0.00 H +ATOM 65 HG2 PRO A 5 -9.441 -9.723 15.314 1.00 0.00 H +ATOM 66 HG3 PRO A 5 -8.477 -8.388 15.996 1.00 0.00 H +ATOM 67 HD2 PRO A 5 -11.342 -8.322 15.036 1.00 0.00 H +ATOM 68 HD3 PRO A 5 -10.645 -7.655 16.542 1.00 0.00 H +ATOM 69 N GLY A 6 -10.780 -6.572 12.223 1.00 0.00 N +ATOM 70 CA GLY A 6 -11.369 -6.175 10.969 1.00 0.00 C +ATOM 71 C GLY A 6 -11.191 -4.675 10.803 1.00 0.00 C +ATOM 72 O GLY A 6 -10.975 -4.175 9.702 1.00 0.00 O +ATOM 73 H GLY A 6 -11.338 -6.998 12.908 1.00 0.00 H +ATOM 74 HA2 GLY A 6 -10.887 -6.700 10.159 1.00 0.00 H +ATOM 75 HA3 GLY A 6 -12.422 -6.407 10.986 1.00 0.00 H +ATOM 76 N ASP A 7 -11.240 -3.968 11.927 1.00 0.00 N +ATOM 77 CA ASP A 7 -11.050 -2.524 11.929 1.00 0.00 C +ATOM 78 C ASP A 7 -9.561 -2.219 11.907 1.00 0.00 C +ATOM 79 O ASP A 7 -9.129 -1.187 11.392 1.00 0.00 O +ATOM 80 CB ASP A 7 -11.691 -1.902 13.171 1.00 0.00 C +ATOM 81 CG ASP A 7 -11.724 -0.383 13.035 1.00 0.00 C +ATOM 82 OD1 ASP A 7 -10.902 0.144 12.303 1.00 0.00 O +ATOM 83 OD2 ASP A 7 -12.570 0.230 13.665 1.00 0.00 O +ATOM 84 H ASP A 7 -11.367 -4.436 12.779 1.00 0.00 H +ATOM 85 HA ASP A 7 -11.507 -2.104 11.046 1.00 0.00 H +ATOM 86 HB2 ASP A 7 -12.700 -2.275 13.276 1.00 0.00 H +ATOM 87 HB3 ASP A 7 -11.116 -2.170 14.044 1.00 0.00 H +ATOM 88 N SER A 8 -8.781 -3.148 12.445 1.00 0.00 N +ATOM 89 CA SER A 8 -7.336 -3.006 12.463 1.00 0.00 C +ATOM 90 C SER A 8 -6.804 -3.212 11.055 1.00 0.00 C +ATOM 91 O SER A 8 -5.856 -2.554 10.626 1.00 0.00 O +ATOM 92 CB SER A 8 -6.709 -4.017 13.428 1.00 0.00 C +ATOM 93 OG SER A 8 -5.406 -3.577 13.788 1.00 0.00 O +ATOM 94 H SER A 8 -9.187 -3.961 12.804 1.00 0.00 H +ATOM 95 HA SER A 8 -7.090 -2.009 12.780 1.00 0.00 H +ATOM 96 HB2 SER A 8 -7.313 -4.096 14.318 1.00 0.00 H +ATOM 97 HB3 SER A 8 -6.653 -4.986 12.949 1.00 0.00 H +ATOM 98 HG SER A 8 -5.500 -2.790 14.331 1.00 0.00 H +ATOM 99 N ARG A 9 -7.455 -4.117 10.337 1.00 0.00 N +ATOM 100 CA ARG A 9 -7.095 -4.405 8.965 1.00 0.00 C +ATOM 101 C ARG A 9 -7.447 -3.211 8.103 1.00 0.00 C +ATOM 102 O ARG A 9 -6.719 -2.847 7.179 1.00 0.00 O +ATOM 103 CB ARG A 9 -7.814 -5.666 8.467 1.00 0.00 C +ATOM 104 CG ARG A 9 -7.216 -6.900 9.145 1.00 0.00 C +ATOM 105 CD ARG A 9 -7.955 -8.152 8.667 1.00 0.00 C +ATOM 106 NE ARG A 9 -7.397 -9.343 9.297 1.00 0.00 N +ATOM 107 CZ ARG A 9 -7.688 -10.559 8.844 1.00 0.00 C +ATOM 108 NH1 ARG A 9 -8.484 -10.701 7.820 1.00 0.00 N +ATOM 109 NH2 ARG A 9 -7.178 -11.611 9.424 1.00 0.00 N +ATOM 110 H ARG A 9 -8.216 -4.571 10.732 1.00 0.00 H +ATOM 111 HA ARG A 9 -6.043 -4.559 8.920 1.00 0.00 H +ATOM 112 HB2 ARG A 9 -8.864 -5.600 8.710 1.00 0.00 H +ATOM 113 HB3 ARG A 9 -7.695 -5.754 7.399 1.00 0.00 H +ATOM 114 HG2 ARG A 9 -6.170 -6.979 8.889 1.00 0.00 H +ATOM 115 HG3 ARG A 9 -7.317 -6.812 10.214 1.00 0.00 H +ATOM 116 HD2 ARG A 9 -9.000 -8.071 8.925 1.00 0.00 H +ATOM 117 HD3 ARG A 9 -7.859 -8.234 7.594 1.00 0.00 H +ATOM 118 HE ARG A 9 -6.799 -9.246 10.067 1.00 0.00 H +ATOM 119 HH11 ARG A 9 -8.876 -9.895 7.377 1.00 0.00 H +ATOM 120 HH12 ARG A 9 -8.704 -11.615 7.480 1.00 0.00 H +ATOM 121 HH21 ARG A 9 -6.568 -11.503 10.209 1.00 0.00 H +ATOM 122 HH22 ARG A 9 -7.396 -12.526 9.083 1.00 0.00 H +ATOM 123 N ARG A 10 -8.561 -2.589 8.444 1.00 0.00 N +ATOM 124 CA ARG A 10 -9.011 -1.398 7.733 1.00 0.00 C +ATOM 125 C ARG A 10 -8.103 -0.228 8.076 1.00 0.00 C +ATOM 126 O ARG A 10 -7.830 0.637 7.248 1.00 0.00 O +ATOM 127 CB ARG A 10 -10.471 -1.071 8.056 1.00 0.00 C +ATOM 128 CG ARG A 10 -11.398 -2.114 7.406 1.00 0.00 C +ATOM 129 CD ARG A 10 -11.375 -1.990 5.873 1.00 0.00 C +ATOM 130 NE ARG A 10 -12.628 -2.498 5.319 1.00 0.00 N +ATOM 131 CZ ARG A 10 -12.818 -3.803 5.132 1.00 0.00 C +ATOM 132 NH1 ARG A 10 -11.876 -4.649 5.452 1.00 0.00 N +ATOM 133 NH2 ARG A 10 -13.942 -4.238 4.632 1.00 0.00 N +ATOM 134 H ARG A 10 -9.062 -2.917 9.219 1.00 0.00 H +ATOM 135 HA ARG A 10 -8.921 -1.585 6.679 1.00 0.00 H +ATOM 136 HB2 ARG A 10 -10.611 -1.087 9.128 1.00 0.00 H +ATOM 137 HB3 ARG A 10 -10.714 -0.090 7.678 1.00 0.00 H +ATOM 138 HG2 ARG A 10 -11.069 -3.101 7.681 1.00 0.00 H +ATOM 139 HG3 ARG A 10 -12.408 -1.962 7.758 1.00 0.00 H +ATOM 140 HD2 ARG A 10 -11.249 -0.956 5.590 1.00 0.00 H +ATOM 141 HD3 ARG A 10 -10.554 -2.570 5.473 1.00 0.00 H +ATOM 142 HE ARG A 10 -13.341 -1.869 5.082 1.00 0.00 H +ATOM 143 HH11 ARG A 10 -11.015 -4.317 5.838 1.00 0.00 H +ATOM 144 HH12 ARG A 10 -12.017 -5.629 5.314 1.00 0.00 H +ATOM 145 HH21 ARG A 10 -14.665 -3.591 4.390 1.00 0.00 H +ATOM 146 HH22 ARG A 10 -14.082 -5.218 4.495 1.00 0.00 H +ATOM 147 N LEU A 11 -7.619 -0.228 9.307 1.00 0.00 N +ATOM 148 CA LEU A 11 -6.705 0.807 9.757 1.00 0.00 C +ATOM 149 C LEU A 11 -5.324 0.520 9.183 1.00 0.00 C +ATOM 150 O LEU A 11 -4.533 1.433 8.948 1.00 0.00 O +ATOM 151 CB LEU A 11 -6.646 0.842 11.294 1.00 0.00 C +ATOM 152 CG LEU A 11 -7.835 1.657 11.859 1.00 0.00 C +ATOM 153 CD1 LEU A 11 -8.199 1.180 13.277 1.00 0.00 C +ATOM 154 CD2 LEU A 11 -7.462 3.144 11.920 1.00 0.00 C +ATOM 155 H LEU A 11 -7.851 -0.961 9.909 1.00 0.00 H +ATOM 156 HA LEU A 11 -7.042 1.763 9.387 1.00 0.00 H +ATOM 157 HB2 LEU A 11 -6.690 -0.163 11.662 1.00 0.00 H +ATOM 158 HB3 LEU A 11 -5.715 1.286 11.609 1.00 0.00 H +ATOM 159 HG LEU A 11 -8.696 1.531 11.217 1.00 0.00 H +ATOM 160 HD11 LEU A 11 -7.357 1.323 13.941 1.00 0.00 H +ATOM 161 HD12 LEU A 11 -8.465 0.133 13.252 1.00 0.00 H +ATOM 162 HD13 LEU A 11 -9.041 1.753 13.640 1.00 0.00 H +ATOM 163 HD21 LEU A 11 -6.634 3.280 12.600 1.00 0.00 H +ATOM 164 HD22 LEU A 11 -8.311 3.713 12.272 1.00 0.00 H +ATOM 165 HD23 LEU A 11 -7.181 3.489 10.938 1.00 0.00 H +ATOM 166 N SER A 12 -5.044 -0.763 8.952 1.00 0.00 N +ATOM 167 CA SER A 12 -3.756 -1.147 8.398 1.00 0.00 C +ATOM 168 C SER A 12 -3.617 -0.587 6.994 1.00 0.00 C +ATOM 169 O SER A 12 -2.600 0.019 6.653 1.00 0.00 O +ATOM 170 CB SER A 12 -3.618 -2.669 8.361 1.00 0.00 C +ATOM 171 OG SER A 12 -2.489 -3.018 7.570 1.00 0.00 O +ATOM 172 H SER A 12 -5.720 -1.456 9.143 1.00 0.00 H +ATOM 173 HA SER A 12 -2.970 -0.736 9.015 1.00 0.00 H +ATOM 174 HB2 SER A 12 -3.482 -3.045 9.360 1.00 0.00 H +ATOM 175 HB3 SER A 12 -4.512 -3.099 7.935 1.00 0.00 H +ATOM 176 HG SER A 12 -1.769 -2.429 7.806 1.00 0.00 H +ATOM 177 N ILE A 13 -4.651 -0.782 6.176 1.00 0.00 N +ATOM 178 CA ILE A 13 -4.612 -0.278 4.817 1.00 0.00 C +ATOM 179 C ILE A 13 -4.753 1.245 4.784 1.00 0.00 C +ATOM 180 O ILE A 13 -4.276 1.886 3.855 1.00 0.00 O +ATOM 181 CB ILE A 13 -5.704 -0.916 3.954 1.00 0.00 C +ATOM 182 CG1 ILE A 13 -7.078 -0.460 4.439 1.00 0.00 C +ATOM 183 CG2 ILE A 13 -5.607 -2.448 4.009 1.00 0.00 C +ATOM 184 CD1 ILE A 13 -8.172 -1.219 3.690 1.00 0.00 C +ATOM 185 H ILE A 13 -5.440 -1.271 6.491 1.00 0.00 H +ATOM 186 HA ILE A 13 -3.657 -0.537 4.402 1.00 0.00 H +ATOM 187 HB ILE A 13 -5.566 -0.596 2.941 1.00 0.00 H +ATOM 188 HG12 ILE A 13 -7.159 -0.653 5.487 1.00 0.00 H +ATOM 189 HG13 ILE A 13 -7.194 0.598 4.257 1.00 0.00 H +ATOM 190 HG21 ILE A 13 -4.569 -2.748 3.991 1.00 0.00 H +ATOM 191 HG22 ILE A 13 -6.115 -2.868 3.152 1.00 0.00 H +ATOM 192 HG23 ILE A 13 -6.072 -2.813 4.912 1.00 0.00 H +ATOM 193 HD11 ILE A 13 -9.121 -0.729 3.847 1.00 0.00 H +ATOM 194 HD12 ILE A 13 -8.225 -2.232 4.061 1.00 0.00 H +ATOM 195 HD13 ILE A 13 -7.944 -1.233 2.635 1.00 0.00 H +ATOM 196 N GLN A 14 -5.410 1.819 5.793 1.00 0.00 N +ATOM 197 CA GLN A 14 -5.603 3.245 5.869 1.00 0.00 C +ATOM 198 C GLN A 14 -4.253 3.943 5.985 1.00 0.00 C +ATOM 199 O GLN A 14 -3.999 4.950 5.334 1.00 0.00 O +ATOM 200 CB GLN A 14 -6.456 3.563 7.092 1.00 0.00 C +ATOM 201 CG GLN A 14 -6.794 5.039 7.072 1.00 0.00 C +ATOM 202 CD GLN A 14 -7.749 5.382 8.209 1.00 0.00 C +ATOM 203 OE1 GLN A 14 -8.439 4.504 8.728 1.00 0.00 O +ATOM 204 NE2 GLN A 14 -7.832 6.615 8.629 1.00 0.00 N +ATOM 205 H GLN A 14 -5.770 1.279 6.500 1.00 0.00 H +ATOM 206 HA GLN A 14 -6.119 3.585 4.989 1.00 0.00 H +ATOM 207 HB2 GLN A 14 -7.366 2.979 7.062 1.00 0.00 H +ATOM 208 HB3 GLN A 14 -5.905 3.332 7.990 1.00 0.00 H +ATOM 209 HG2 GLN A 14 -5.885 5.606 7.177 1.00 0.00 H +ATOM 210 HG3 GLN A 14 -7.259 5.275 6.131 1.00 0.00 H +ATOM 211 HE21 GLN A 14 -7.282 7.312 8.214 1.00 0.00 H +ATOM 212 HE22 GLN A 14 -8.446 6.844 9.358 1.00 0.00 H +ATOM 213 N ARG A 15 -3.381 3.361 6.800 1.00 0.00 N +ATOM 214 CA ARG A 15 -2.037 3.880 6.994 1.00 0.00 C +ATOM 215 C ARG A 15 -1.219 3.646 5.741 1.00 0.00 C +ATOM 216 O ARG A 15 -0.446 4.507 5.316 1.00 0.00 O +ATOM 217 CB ARG A 15 -1.370 3.197 8.193 1.00 0.00 C +ATOM 218 CG ARG A 15 -2.008 3.699 9.489 1.00 0.00 C +ATOM 219 CD ARG A 15 -1.371 2.987 10.686 1.00 0.00 C +ATOM 220 NE ARG A 15 -1.916 3.514 11.935 1.00 0.00 N +ATOM 221 CZ ARG A 15 -1.567 2.999 13.111 1.00 0.00 C +ATOM 222 NH1 ARG A 15 -0.732 1.997 13.162 1.00 0.00 N +ATOM 223 NH2 ARG A 15 -2.058 3.496 14.212 1.00 0.00 N +ATOM 224 H ARG A 15 -3.638 2.542 7.251 1.00 0.00 H +ATOM 225 HA ARG A 15 -2.093 4.942 7.179 1.00 0.00 H +ATOM 226 HB2 ARG A 15 -1.509 2.128 8.118 1.00 0.00 H +ATOM 227 HB3 ARG A 15 -0.314 3.425 8.200 1.00 0.00 H +ATOM 228 HG2 ARG A 15 -1.850 4.763 9.577 1.00 0.00 H +ATOM 229 HG3 ARG A 15 -3.067 3.492 9.472 1.00 0.00 H +ATOM 230 HD2 ARG A 15 -1.581 1.930 10.627 1.00 0.00 H +ATOM 231 HD3 ARG A 15 -0.302 3.140 10.667 1.00 0.00 H +ATOM 232 HE ARG A 15 -2.546 4.263 11.906 1.00 0.00 H +ATOM 233 HH11 ARG A 15 -0.356 1.615 12.319 1.00 0.00 H +ATOM 234 HH12 ARG A 15 -0.470 1.610 14.047 1.00 0.00 H +ATOM 235 HH21 ARG A 15 -2.696 4.265 14.173 1.00 0.00 H +ATOM 236 HH22 ARG A 15 -1.796 3.110 15.096 1.00 0.00 H +ATOM 237 N ALA A 16 -1.422 2.487 5.126 1.00 0.00 N +ATOM 238 CA ALA A 16 -0.721 2.176 3.899 1.00 0.00 C +ATOM 239 C ALA A 16 -1.256 3.085 2.820 1.00 0.00 C +ATOM 240 O ALA A 16 -0.503 3.616 2.012 1.00 0.00 O +ATOM 241 CB ALA A 16 -0.931 0.714 3.506 1.00 0.00 C +ATOM 242 H ALA A 16 -2.080 1.856 5.482 1.00 0.00 H +ATOM 243 HA ALA A 16 0.336 2.367 4.035 1.00 0.00 H +ATOM 244 HB1 ALA A 16 -0.772 0.081 4.366 1.00 0.00 H +ATOM 245 HB2 ALA A 16 -0.230 0.448 2.728 1.00 0.00 H +ATOM 246 HB3 ALA A 16 -1.939 0.581 3.141 1.00 0.00 H +ATOM 247 N ILE A 17 -2.571 3.278 2.846 1.00 0.00 N +ATOM 248 CA ILE A 17 -3.237 4.150 1.900 1.00 0.00 C +ATOM 249 C ILE A 17 -2.749 5.569 2.110 1.00 0.00 C +ATOM 250 O ILE A 17 -2.383 6.254 1.164 1.00 0.00 O +ATOM 251 CB ILE A 17 -4.756 4.065 2.141 1.00 0.00 C +ATOM 252 CG1 ILE A 17 -5.317 2.745 1.524 1.00 0.00 C +ATOM 253 CG2 ILE A 17 -5.503 5.309 1.592 1.00 0.00 C +ATOM 254 CD1 ILE A 17 -6.146 3.008 0.258 1.00 0.00 C +ATOM 255 H ILE A 17 -3.103 2.836 3.536 1.00 0.00 H +ATOM 256 HA ILE A 17 -3.011 3.831 0.901 1.00 0.00 H +ATOM 257 HB ILE A 17 -4.899 4.039 3.205 1.00 0.00 H +ATOM 258 HG12 ILE A 17 -4.502 2.084 1.270 1.00 0.00 H +ATOM 259 HG13 ILE A 17 -5.940 2.254 2.254 1.00 0.00 H +ATOM 260 HG21 ILE A 17 -6.569 5.145 1.664 1.00 0.00 H +ATOM 261 HG22 ILE A 17 -5.239 5.481 0.560 1.00 0.00 H +ATOM 262 HG23 ILE A 17 -5.241 6.179 2.180 1.00 0.00 H +ATOM 263 HD11 ILE A 17 -5.588 3.645 -0.417 1.00 0.00 H +ATOM 264 HD12 ILE A 17 -7.071 3.494 0.532 1.00 0.00 H +ATOM 265 HD13 ILE A 17 -6.365 2.068 -0.226 1.00 0.00 H +ATOM 266 N GLN A 18 -2.726 6.007 3.362 1.00 0.00 N +ATOM 267 CA GLN A 18 -2.268 7.355 3.642 1.00 0.00 C +ATOM 268 C GLN A 18 -0.909 7.587 2.995 1.00 0.00 C +ATOM 269 O GLN A 18 -0.639 8.674 2.494 1.00 0.00 O +ATOM 270 CB GLN A 18 -2.204 7.609 5.158 1.00 0.00 C +ATOM 271 CG GLN A 18 -3.599 7.970 5.689 1.00 0.00 C +ATOM 272 CD GLN A 18 -3.583 8.020 7.213 1.00 0.00 C +ATOM 273 OE1 GLN A 18 -3.366 7.000 7.865 1.00 0.00 O +ATOM 274 NE2 GLN A 18 -3.804 9.153 7.822 1.00 0.00 N +ATOM 275 H GLN A 18 -3.016 5.420 4.101 1.00 0.00 H +ATOM 276 HA GLN A 18 -2.971 8.048 3.202 1.00 0.00 H +ATOM 277 HB2 GLN A 18 -1.851 6.717 5.655 1.00 0.00 H +ATOM 278 HB3 GLN A 18 -1.525 8.425 5.360 1.00 0.00 H +ATOM 279 HG2 GLN A 18 -3.885 8.939 5.307 1.00 0.00 H +ATOM 280 HG3 GLN A 18 -4.315 7.236 5.362 1.00 0.00 H +ATOM 281 HE21 GLN A 18 -3.979 9.964 7.301 1.00 0.00 H +ATOM 282 HE22 GLN A 18 -3.795 9.193 8.802 1.00 0.00 H +ATOM 283 N SER A 19 -0.063 6.559 2.968 1.00 0.00 N +ATOM 284 CA SER A 19 1.244 6.702 2.333 1.00 0.00 C +ATOM 285 C SER A 19 1.150 6.372 0.854 1.00 0.00 C +ATOM 286 O SER A 19 1.749 7.052 0.034 1.00 0.00 O +ATOM 287 CB SER A 19 2.287 5.811 3.015 1.00 0.00 C +ATOM 288 OG SER A 19 3.567 6.081 2.459 1.00 0.00 O +ATOM 289 H SER A 19 -0.333 5.692 3.340 1.00 0.00 H +ATOM 290 HA SER A 19 1.559 7.740 2.412 1.00 0.00 H +ATOM 291 HB2 SER A 19 2.310 6.022 4.071 1.00 0.00 H +ATOM 292 HB3 SER A 19 2.032 4.770 2.864 1.00 0.00 H +ATOM 293 HG SER A 19 3.441 6.389 1.558 1.00 0.00 H +ATOM 294 N LEU A 20 0.394 5.345 0.496 1.00 0.00 N +ATOM 295 CA LEU A 20 0.268 5.016 -0.918 1.00 0.00 C +ATOM 296 C LEU A 20 -0.412 6.164 -1.654 1.00 0.00 C +ATOM 297 O LEU A 20 0.096 6.642 -2.666 1.00 0.00 O +ATOM 298 CB LEU A 20 -0.488 3.673 -1.075 1.00 0.00 C +ATOM 299 CG LEU A 20 -1.373 3.595 -2.346 1.00 0.00 C +ATOM 300 CD1 LEU A 20 -0.506 3.449 -3.598 1.00 0.00 C +ATOM 301 CD2 LEU A 20 -2.283 2.366 -2.241 1.00 0.00 C +ATOM 302 H LEU A 20 -0.090 4.820 1.175 1.00 0.00 H +ATOM 303 HA LEU A 20 1.265 4.910 -1.320 1.00 0.00 H +ATOM 304 HB2 LEU A 20 0.238 2.882 -1.122 1.00 0.00 H +ATOM 305 HB3 LEU A 20 -1.101 3.524 -0.208 1.00 0.00 H +ATOM 306 HG LEU A 20 -1.990 4.479 -2.431 1.00 0.00 H +ATOM 307 HD11 LEU A 20 0.010 4.371 -3.792 1.00 0.00 H +ATOM 308 HD12 LEU A 20 -1.136 3.209 -4.443 1.00 0.00 H +ATOM 309 HD13 LEU A 20 0.210 2.655 -3.450 1.00 0.00 H +ATOM 310 HD21 LEU A 20 -2.874 2.277 -3.141 1.00 0.00 H +ATOM 311 HD22 LEU A 20 -2.938 2.472 -1.390 1.00 0.00 H +ATOM 312 HD23 LEU A 20 -1.678 1.484 -2.120 1.00 0.00 H +ATOM 313 N VAL A 21 -1.552 6.613 -1.141 1.00 0.00 N +ATOM 314 CA VAL A 21 -2.259 7.711 -1.782 1.00 0.00 C +ATOM 315 C VAL A 21 -1.378 8.963 -1.752 1.00 0.00 C +ATOM 316 O VAL A 21 -1.241 9.645 -2.763 1.00 0.00 O +ATOM 317 CB VAL A 21 -3.624 7.977 -1.082 1.00 0.00 C +ATOM 318 CG1 VAL A 21 -4.083 9.436 -1.264 1.00 0.00 C +ATOM 319 CG2 VAL A 21 -4.698 7.044 -1.656 1.00 0.00 C +ATOM 320 H VAL A 21 -1.917 6.204 -0.333 1.00 0.00 H +ATOM 321 HA VAL A 21 -2.439 7.434 -2.813 1.00 0.00 H +ATOM 322 HB VAL A 21 -3.522 7.785 -0.033 1.00 0.00 H +ATOM 323 HG11 VAL A 21 -5.115 9.525 -0.959 1.00 0.00 H +ATOM 324 HG12 VAL A 21 -3.989 9.725 -2.300 1.00 0.00 H +ATOM 325 HG13 VAL A 21 -3.472 10.085 -0.652 1.00 0.00 H +ATOM 326 HG21 VAL A 21 -4.355 6.020 -1.602 1.00 0.00 H +ATOM 327 HG22 VAL A 21 -4.890 7.304 -2.686 1.00 0.00 H +ATOM 328 HG23 VAL A 21 -5.608 7.149 -1.083 1.00 0.00 H +ATOM 329 N HIS A 22 -0.782 9.262 -0.593 1.00 0.00 N +ATOM 330 CA HIS A 22 0.069 10.446 -0.484 1.00 0.00 C +ATOM 331 C HIS A 22 1.356 10.284 -1.284 1.00 0.00 C +ATOM 332 O HIS A 22 1.716 11.155 -2.068 1.00 0.00 O +ATOM 333 CB HIS A 22 0.393 10.755 0.980 1.00 0.00 C +ATOM 334 CG HIS A 22 1.035 12.112 1.068 1.00 0.00 C +ATOM 335 ND1 HIS A 22 0.398 13.251 0.602 1.00 0.00 N +ATOM 336 CD2 HIS A 22 2.239 12.539 1.575 1.00 0.00 C +ATOM 337 CE1 HIS A 22 1.209 14.297 0.835 1.00 0.00 C +ATOM 338 NE2 HIS A 22 2.346 13.919 1.425 1.00 0.00 N +ATOM 339 H HIS A 22 -0.915 8.685 0.187 1.00 0.00 H +ATOM 340 HA HIS A 22 -0.469 11.275 -0.889 1.00 0.00 H +ATOM 341 HB2 HIS A 22 -0.521 10.759 1.554 1.00 0.00 H +ATOM 342 HB3 HIS A 22 1.068 10.008 1.371 1.00 0.00 H +ATOM 343 HD1 HIS A 22 -0.485 13.285 0.178 1.00 0.00 H +ATOM 344 HD2 HIS A 22 2.986 11.905 2.026 1.00 0.00 H +ATOM 345 HE1 HIS A 22 0.968 15.317 0.581 1.00 0.00 H +ATOM 346 N ALA A 23 2.043 9.169 -1.083 1.00 0.00 N +ATOM 347 CA ALA A 23 3.292 8.915 -1.800 1.00 0.00 C +ATOM 348 C ALA A 23 3.056 8.807 -3.302 1.00 0.00 C +ATOM 349 O ALA A 23 3.948 9.098 -4.098 1.00 0.00 O +ATOM 350 CB ALA A 23 3.940 7.619 -1.309 1.00 0.00 C +ATOM 351 H ALA A 23 1.711 8.514 -0.436 1.00 0.00 H +ATOM 352 HA ALA A 23 3.973 9.731 -1.616 1.00 0.00 H +ATOM 353 HB1 ALA A 23 3.980 7.622 -0.233 1.00 0.00 H +ATOM 354 HB2 ALA A 23 4.942 7.547 -1.705 1.00 0.00 H +ATOM 355 HB3 ALA A 23 3.360 6.773 -1.648 1.00 0.00 H +ATOM 356 N ALA A 24 1.861 8.375 -3.695 1.00 0.00 N +ATOM 357 CA ALA A 24 1.548 8.226 -5.112 1.00 0.00 C +ATOM 358 C ALA A 24 0.961 9.506 -5.683 1.00 0.00 C +ATOM 359 O ALA A 24 0.700 9.591 -6.868 1.00 0.00 O +ATOM 360 CB ALA A 24 0.561 7.087 -5.292 1.00 0.00 C +ATOM 361 H ALA A 24 1.174 8.149 -3.027 1.00 0.00 H +ATOM 362 HA ALA A 24 2.452 7.990 -5.654 1.00 0.00 H +ATOM 363 HB1 ALA A 24 0.426 6.896 -6.342 1.00 0.00 H +ATOM 364 HB2 ALA A 24 -0.383 7.362 -4.844 1.00 0.00 H +ATOM 365 HB3 ALA A 24 0.948 6.205 -4.810 1.00 0.00 H +ATOM 366 N GLN A 25 0.758 10.494 -4.823 1.00 0.00 N +ATOM 367 CA GLN A 25 0.208 11.787 -5.217 1.00 0.00 C +ATOM 368 C GLN A 25 1.220 12.886 -4.961 1.00 0.00 C +ATOM 369 O GLN A 25 1.277 13.879 -5.687 1.00 0.00 O +ATOM 370 CB GLN A 25 -1.036 12.043 -4.376 1.00 0.00 C +ATOM 371 CG GLN A 25 -2.158 11.093 -4.798 1.00 0.00 C +ATOM 372 CD GLN A 25 -2.974 11.689 -5.919 1.00 0.00 C +ATOM 373 OE1 GLN A 25 -3.142 12.905 -6.010 1.00 0.00 O +ATOM 374 NE2 GLN A 25 -3.494 10.882 -6.774 1.00 0.00 N +ATOM 375 H GLN A 25 0.985 10.356 -3.898 1.00 0.00 H +ATOM 376 HA GLN A 25 -0.037 11.788 -6.270 1.00 0.00 H +ATOM 377 HB2 GLN A 25 -0.788 11.859 -3.339 1.00 0.00 H +ATOM 378 HB3 GLN A 25 -1.353 13.068 -4.494 1.00 0.00 H +ATOM 379 HG2 GLN A 25 -1.729 10.162 -5.153 1.00 0.00 H +ATOM 380 HG3 GLN A 25 -2.806 10.897 -3.956 1.00 0.00 H +ATOM 381 HE21 GLN A 25 -3.353 9.917 -6.676 1.00 0.00 H +ATOM 382 HE22 GLN A 25 -4.002 11.229 -7.524 1.00 0.00 H +ATOM 383 N CYS A 26 2.042 12.688 -3.938 1.00 0.00 N +ATOM 384 CA CYS A 26 3.082 13.654 -3.611 1.00 0.00 C +ATOM 385 C CYS A 26 4.403 13.127 -4.129 1.00 0.00 C +ATOM 386 O CYS A 26 5.199 12.553 -3.384 1.00 0.00 O +ATOM 387 CB CYS A 26 3.159 13.867 -2.098 1.00 0.00 C +ATOM 388 SG CYS A 26 4.396 15.136 -1.732 1.00 0.00 S +ATOM 389 H CYS A 26 1.974 11.861 -3.424 1.00 0.00 H +ATOM 390 HA CYS A 26 2.873 14.599 -4.095 1.00 0.00 H +ATOM 391 HB2 CYS A 26 2.195 14.186 -1.730 1.00 0.00 H +ATOM 392 HB3 CYS A 26 3.439 12.940 -1.618 1.00 0.00 H +ATOM 393 HG CYS A 26 4.689 15.012 -0.826 1.00 0.00 H +ATOM 394 N ARG A 27 4.623 13.322 -5.420 1.00 0.00 N +ATOM 395 CA ARG A 27 5.840 12.863 -6.062 1.00 0.00 C +ATOM 396 C ARG A 27 6.919 13.929 -5.879 1.00 0.00 C +ATOM 397 O ARG A 27 7.539 14.402 -6.829 1.00 0.00 O +ATOM 398 CB ARG A 27 5.531 12.572 -7.544 1.00 0.00 C +ATOM 399 CG ARG A 27 6.771 12.039 -8.296 1.00 0.00 C +ATOM 400 CD ARG A 27 6.958 10.541 -8.026 1.00 0.00 C +ATOM 401 NE ARG A 27 8.110 10.041 -8.773 1.00 0.00 N +ATOM 402 CZ ARG A 27 9.342 10.123 -8.277 1.00 0.00 C +ATOM 403 NH1 ARG A 27 9.539 10.659 -7.102 1.00 0.00 N +ATOM 404 NH2 ARG A 27 10.354 9.672 -8.964 1.00 0.00 N +ATOM 405 H ARG A 27 3.938 13.771 -5.959 1.00 0.00 H +ATOM 406 HA ARG A 27 6.164 11.947 -5.589 1.00 0.00 H +ATOM 407 HB2 ARG A 27 4.747 11.829 -7.591 1.00 0.00 H +ATOM 408 HB3 ARG A 27 5.174 13.473 -8.019 1.00 0.00 H +ATOM 409 HG2 ARG A 27 6.636 12.191 -9.356 1.00 0.00 H +ATOM 410 HG3 ARG A 27 7.653 12.560 -7.978 1.00 0.00 H +ATOM 411 HD2 ARG A 27 7.119 10.378 -6.971 1.00 0.00 H +ATOM 412 HD3 ARG A 27 6.072 10.008 -8.338 1.00 0.00 H +ATOM 413 HE ARG A 27 7.973 9.641 -9.656 1.00 0.00 H +ATOM 414 HH11 ARG A 27 8.764 11.008 -6.575 1.00 0.00 H +ATOM 415 HH12 ARG A 27 10.465 10.719 -6.729 1.00 0.00 H +ATOM 416 HH21 ARG A 27 10.205 9.264 -9.865 1.00 0.00 H +ATOM 417 HH22 ARG A 27 11.280 9.733 -8.589 1.00 0.00 H +ATOM 418 N ASN A 28 7.113 14.323 -4.625 1.00 0.00 N +ATOM 419 CA ASN A 28 8.104 15.337 -4.301 1.00 0.00 C +ATOM 420 C ASN A 28 9.515 14.783 -4.488 1.00 0.00 C +ATOM 421 O ASN A 28 10.396 15.463 -5.012 1.00 0.00 O +ATOM 422 CB ASN A 28 7.926 15.790 -2.852 1.00 0.00 C +ATOM 423 CG ASN A 28 8.959 16.859 -2.520 1.00 0.00 C +ATOM 424 OD1 ASN A 28 9.819 16.651 -1.665 1.00 0.00 O +ATOM 425 ND2 ASN A 28 8.929 17.999 -3.157 1.00 0.00 N +ATOM 426 H ASN A 28 6.573 13.923 -3.907 1.00 0.00 H +ATOM 427 HA ASN A 28 7.965 16.186 -4.953 1.00 0.00 H +ATOM 428 HB2 ASN A 28 6.933 16.196 -2.721 1.00 0.00 H +ATOM 429 HB3 ASN A 28 8.061 14.943 -2.190 1.00 0.00 H +ATOM 430 HD21 ASN A 28 8.246 18.159 -3.841 1.00 0.00 H +ATOM 431 HD22 ASN A 28 9.588 18.694 -2.950 1.00 0.00 H +ATOM 432 N ALA A 29 9.701 13.543 -4.024 1.00 0.00 N +ATOM 433 CA ALA A 29 10.988 12.836 -4.083 1.00 0.00 C +ATOM 434 C ALA A 29 11.722 12.970 -2.752 1.00 0.00 C +ATOM 435 O ALA A 29 12.282 12.001 -2.237 1.00 0.00 O +ATOM 436 CB ALA A 29 11.881 13.359 -5.217 1.00 0.00 C +ATOM 437 H ALA A 29 8.944 13.095 -3.599 1.00 0.00 H +ATOM 438 HA ALA A 29 10.789 11.788 -4.264 1.00 0.00 H +ATOM 439 HB1 ALA A 29 11.275 13.569 -6.086 1.00 0.00 H +ATOM 440 HB2 ALA A 29 12.617 12.608 -5.467 1.00 0.00 H +ATOM 441 HB3 ALA A 29 12.384 14.261 -4.900 1.00 0.00 H +ATOM 442 N ASN A 30 11.712 14.182 -2.200 1.00 0.00 N +ATOM 443 CA ASN A 30 12.377 14.451 -0.927 1.00 0.00 C +ATOM 444 C ASN A 30 11.385 14.343 0.228 1.00 0.00 C +ATOM 445 O ASN A 30 11.672 14.787 1.338 1.00 0.00 O +ATOM 446 CB ASN A 30 12.977 15.858 -0.942 1.00 0.00 C +ATOM 447 CG ASN A 30 14.142 15.918 -1.924 1.00 0.00 C +ATOM 448 OD1 ASN A 30 14.673 14.882 -2.324 1.00 0.00 O +ATOM 449 ND2 ASN A 30 14.576 17.078 -2.336 1.00 0.00 N +ATOM 450 H ASN A 30 11.253 14.913 -2.661 1.00 0.00 H +ATOM 451 HA ASN A 30 13.174 13.736 -0.778 1.00 0.00 H +ATOM 452 HB2 ASN A 30 12.219 16.567 -1.240 1.00 0.00 H +ATOM 453 HB3 ASN A 30 13.332 16.106 0.047 1.00 0.00 H +ATOM 454 HD21 ASN A 30 14.155 17.902 -2.013 1.00 0.00 H +ATOM 455 HD22 ASN A 30 15.322 17.125 -2.969 1.00 0.00 H +ATOM 456 N CYS A 31 10.209 13.767 -0.053 1.00 0.00 N +ATOM 457 CA CYS A 31 9.157 13.613 0.960 1.00 0.00 C +ATOM 458 C CYS A 31 9.756 13.409 2.355 1.00 0.00 C +ATOM 459 O CYS A 31 10.682 12.617 2.529 1.00 0.00 O +ATOM 460 CB CYS A 31 8.271 12.424 0.597 1.00 0.00 C +ATOM 461 SG CYS A 31 6.747 12.490 1.573 1.00 0.00 S +ATOM 462 H CYS A 31 10.039 13.453 -0.967 1.00 0.00 H +ATOM 463 HA CYS A 31 8.546 14.498 0.961 1.00 0.00 H +ATOM 464 HB2 CYS A 31 8.026 12.470 -0.456 1.00 0.00 H +ATOM 465 HB3 CYS A 31 8.795 11.502 0.807 1.00 0.00 H +ATOM 466 HG CYS A 31 6.096 12.988 1.072 1.00 0.00 H +ATOM 467 N SER A 32 9.245 14.149 3.342 1.00 0.00 N +ATOM 468 CA SER A 32 9.765 14.060 4.705 1.00 0.00 C +ATOM 469 C SER A 32 9.057 12.998 5.526 1.00 0.00 C +ATOM 470 O SER A 32 9.281 12.901 6.729 1.00 0.00 O +ATOM 471 CB SER A 32 9.619 15.399 5.411 1.00 0.00 C +ATOM 472 OG SER A 32 8.264 15.826 5.340 1.00 0.00 O +ATOM 473 H SER A 32 8.521 14.781 3.148 1.00 0.00 H +ATOM 474 HA SER A 32 10.817 13.816 4.662 1.00 0.00 H +ATOM 475 HB2 SER A 32 9.901 15.286 6.445 1.00 0.00 H +ATOM 476 HB3 SER A 32 10.265 16.123 4.938 1.00 0.00 H +ATOM 477 HG SER A 32 7.711 15.116 5.673 1.00 0.00 H +ATOM 478 N LEU A 33 8.220 12.192 4.883 1.00 0.00 N +ATOM 479 CA LEU A 33 7.520 11.124 5.584 1.00 0.00 C +ATOM 480 C LEU A 33 8.238 9.807 5.290 1.00 0.00 C +ATOM 481 O LEU A 33 8.116 9.272 4.190 1.00 0.00 O +ATOM 482 CB LEU A 33 6.052 11.066 5.116 1.00 0.00 C +ATOM 483 CG LEU A 33 5.264 12.295 5.665 1.00 0.00 C +ATOM 484 CD1 LEU A 33 4.397 12.921 4.562 1.00 0.00 C +ATOM 485 CD2 LEU A 33 4.339 11.875 6.821 1.00 0.00 C +ATOM 486 H LEU A 33 8.090 12.295 3.920 1.00 0.00 H +ATOM 487 HA LEU A 33 7.543 11.314 6.641 1.00 0.00 H +ATOM 488 HB2 LEU A 33 6.029 11.066 4.035 1.00 0.00 H +ATOM 489 HB3 LEU A 33 5.601 10.153 5.477 1.00 0.00 H +ATOM 490 HG LEU A 33 5.962 13.042 6.019 1.00 0.00 H +ATOM 491 HD11 LEU A 33 3.668 12.200 4.225 1.00 0.00 H +ATOM 492 HD12 LEU A 33 5.020 13.221 3.732 1.00 0.00 H +ATOM 493 HD13 LEU A 33 3.888 13.788 4.957 1.00 0.00 H +ATOM 494 HD21 LEU A 33 3.600 11.176 6.455 1.00 0.00 H +ATOM 495 HD22 LEU A 33 3.842 12.747 7.217 1.00 0.00 H +ATOM 496 HD23 LEU A 33 4.918 11.407 7.602 1.00 0.00 H +ATOM 497 N PRO A 34 9.008 9.275 6.216 1.00 0.00 N +ATOM 498 CA PRO A 34 9.750 8.017 5.963 1.00 0.00 C +ATOM 499 C PRO A 34 8.861 6.981 5.292 1.00 0.00 C +ATOM 500 O PRO A 34 9.324 6.187 4.477 1.00 0.00 O +ATOM 501 CB PRO A 34 10.193 7.567 7.360 1.00 0.00 C +ATOM 502 CG PRO A 34 10.331 8.836 8.135 1.00 0.00 C +ATOM 503 CD PRO A 34 9.267 9.789 7.578 1.00 0.00 C +ATOM 504 HA PRO A 34 10.614 8.223 5.354 1.00 0.00 H +ATOM 505 HB2 PRO A 34 9.441 6.928 7.808 1.00 0.00 H +ATOM 506 HB3 PRO A 34 11.143 7.054 7.311 1.00 0.00 H +ATOM 507 HG2 PRO A 34 10.160 8.651 9.188 1.00 0.00 H +ATOM 508 HG3 PRO A 34 11.314 9.259 7.986 1.00 0.00 H +ATOM 509 HD2 PRO A 34 8.368 9.750 8.179 1.00 0.00 H +ATOM 510 HD3 PRO A 34 9.648 10.794 7.532 1.00 0.00 H +ATOM 511 N SER A 35 7.579 7.015 5.626 1.00 0.00 N +ATOM 512 CA SER A 35 6.628 6.092 5.033 1.00 0.00 C +ATOM 513 C SER A 35 6.523 6.339 3.532 1.00 0.00 C +ATOM 514 O SER A 35 6.335 5.407 2.756 1.00 0.00 O +ATOM 515 CB SER A 35 5.256 6.256 5.683 1.00 0.00 C +ATOM 516 OG SER A 35 5.296 5.721 6.999 1.00 0.00 O +ATOM 517 H SER A 35 7.264 7.684 6.269 1.00 0.00 H +ATOM 518 HA SER A 35 6.976 5.083 5.190 1.00 0.00 H +ATOM 519 HB2 SER A 35 4.997 7.300 5.731 1.00 0.00 H +ATOM 520 HB3 SER A 35 4.515 5.730 5.094 1.00 0.00 H +ATOM 521 HG SER A 35 5.595 6.415 7.592 1.00 0.00 H +ATOM 522 N CYS A 36 6.635 7.599 3.123 1.00 0.00 N +ATOM 523 CA CYS A 36 6.541 7.915 1.703 1.00 0.00 C +ATOM 524 C CYS A 36 7.762 7.405 0.949 1.00 0.00 C +ATOM 525 O CYS A 36 7.635 6.683 -0.038 1.00 0.00 O +ATOM 526 CB CYS A 36 6.408 9.423 1.509 1.00 0.00 C +ATOM 527 SG CYS A 36 4.666 9.893 1.618 1.00 0.00 S +ATOM 528 H CYS A 36 6.783 8.319 3.781 1.00 0.00 H +ATOM 529 HA CYS A 36 5.667 7.434 1.303 1.00 0.00 H +ATOM 530 HB2 CYS A 36 6.963 9.914 2.274 1.00 0.00 H +ATOM 531 HB3 CYS A 36 6.798 9.715 0.543 1.00 0.00 H +ATOM 532 HG CYS A 36 4.609 10.847 1.535 1.00 0.00 H +ATOM 533 N GLN A 37 8.942 7.798 1.409 1.00 0.00 N +ATOM 534 CA GLN A 37 10.173 7.392 0.760 1.00 0.00 C +ATOM 535 C GLN A 37 10.232 5.898 0.602 1.00 0.00 C +ATOM 536 O GLN A 37 10.711 5.390 -0.409 1.00 0.00 O +ATOM 537 CB GLN A 37 11.367 7.816 1.600 1.00 0.00 C +ATOM 538 CG GLN A 37 11.411 9.341 1.681 1.00 0.00 C +ATOM 539 CD GLN A 37 12.693 9.800 2.369 1.00 0.00 C +ATOM 540 OE1 GLN A 37 13.521 8.976 2.757 1.00 0.00 O +ATOM 541 NE2 GLN A 37 12.914 11.077 2.535 1.00 0.00 N +ATOM 542 H GLN A 37 8.987 8.392 2.184 1.00 0.00 H +ATOM 543 HA GLN A 37 10.236 7.857 -0.206 1.00 0.00 H +ATOM 544 HB2 GLN A 37 11.266 7.395 2.594 1.00 0.00 H +ATOM 545 HB3 GLN A 37 12.271 7.442 1.145 1.00 0.00 H +ATOM 546 HG2 GLN A 37 11.364 9.750 0.687 1.00 0.00 H +ATOM 547 HG3 GLN A 37 10.561 9.690 2.249 1.00 0.00 H +ATOM 548 HE21 GLN A 37 12.257 11.733 2.218 1.00 0.00 H +ATOM 549 HE22 GLN A 37 13.734 11.380 2.975 1.00 0.00 H +ATOM 550 N LYS A 38 9.751 5.195 1.611 1.00 0.00 N +ATOM 551 CA LYS A 38 9.759 3.758 1.582 1.00 0.00 C +ATOM 552 C LYS A 38 8.669 3.274 0.631 1.00 0.00 C +ATOM 553 O LYS A 38 8.830 2.250 -0.034 1.00 0.00 O +ATOM 554 CB LYS A 38 9.644 3.210 3.035 1.00 0.00 C +ATOM 555 CG LYS A 38 8.725 1.976 3.142 1.00 0.00 C +ATOM 556 CD LYS A 38 7.291 2.463 3.331 1.00 0.00 C +ATOM 557 CE LYS A 38 6.307 1.306 3.176 1.00 0.00 C +ATOM 558 NZ LYS A 38 4.946 1.777 3.559 1.00 0.00 N +ATOM 559 H LYS A 38 9.366 5.654 2.379 1.00 0.00 H +ATOM 560 HA LYS A 38 10.705 3.453 1.176 1.00 0.00 H +ATOM 561 HB2 LYS A 38 10.630 2.935 3.385 1.00 0.00 H +ATOM 562 HB3 LYS A 38 9.263 3.997 3.673 1.00 0.00 H +ATOM 563 HG2 LYS A 38 8.801 1.365 2.257 1.00 0.00 H +ATOM 564 HG3 LYS A 38 9.012 1.391 4.004 1.00 0.00 H +ATOM 565 HD2 LYS A 38 7.192 2.889 4.316 1.00 0.00 H +ATOM 566 HD3 LYS A 38 7.080 3.220 2.603 1.00 0.00 H +ATOM 567 HE2 LYS A 38 6.296 0.975 2.148 1.00 0.00 H +ATOM 568 HE3 LYS A 38 6.600 0.488 3.817 1.00 0.00 H +ATOM 569 HZ1 LYS A 38 5.003 2.753 3.912 1.00 0.00 H +ATOM 570 HZ2 LYS A 38 4.563 1.160 4.305 1.00 0.00 H +ATOM 571 HZ3 LYS A 38 4.321 1.746 2.729 1.00 0.00 H +ATOM 572 N MET A 39 7.567 4.025 0.540 1.00 0.00 N +ATOM 573 CA MET A 39 6.494 3.649 -0.367 1.00 0.00 C +ATOM 574 C MET A 39 6.909 3.961 -1.788 1.00 0.00 C +ATOM 575 O MET A 39 6.587 3.224 -2.715 1.00 0.00 O +ATOM 576 CB MET A 39 5.163 4.342 -0.024 1.00 0.00 C +ATOM 577 CG MET A 39 4.361 3.556 1.039 1.00 0.00 C +ATOM 578 SD MET A 39 4.079 1.833 0.530 1.00 0.00 S +ATOM 579 CE MET A 39 3.189 2.177 -1.006 1.00 0.00 C +ATOM 580 H MET A 39 7.494 4.857 1.058 1.00 0.00 H +ATOM 581 HA MET A 39 6.366 2.586 -0.297 1.00 0.00 H +ATOM 582 HB2 MET A 39 5.373 5.338 0.357 1.00 0.00 H +ATOM 583 HB3 MET A 39 4.564 4.429 -0.919 1.00 0.00 H +ATOM 584 HG2 MET A 39 4.877 3.565 1.981 1.00 0.00 H +ATOM 585 HG3 MET A 39 3.415 4.033 1.158 1.00 0.00 H +ATOM 586 HE1 MET A 39 2.570 1.327 -1.263 1.00 0.00 H +ATOM 587 HE2 MET A 39 3.895 2.358 -1.798 1.00 0.00 H +ATOM 588 HE3 MET A 39 2.569 3.051 -0.872 1.00 0.00 H +ATOM 589 N LYS A 40 7.656 5.031 -1.972 1.00 0.00 N +ATOM 590 CA LYS A 40 8.111 5.332 -3.302 1.00 0.00 C +ATOM 591 C LYS A 40 9.026 4.220 -3.714 1.00 0.00 C +ATOM 592 O LYS A 40 8.961 3.711 -4.813 1.00 0.00 O +ATOM 593 CB LYS A 40 8.847 6.656 -3.367 1.00 0.00 C +ATOM 594 CG LYS A 40 7.849 7.787 -3.128 1.00 0.00 C +ATOM 595 CD LYS A 40 8.568 9.131 -3.183 1.00 0.00 C +ATOM 596 CE LYS A 40 7.566 10.251 -2.901 1.00 0.00 C +ATOM 597 NZ LYS A 40 8.265 11.562 -2.944 1.00 0.00 N +ATOM 598 H LYS A 40 7.930 5.584 -1.212 1.00 0.00 H +ATOM 599 HA LYS A 40 7.270 5.351 -3.963 1.00 0.00 H +ATOM 600 HB2 LYS A 40 9.616 6.678 -2.609 1.00 0.00 H +ATOM 601 HB3 LYS A 40 9.295 6.761 -4.347 1.00 0.00 H +ATOM 602 HG2 LYS A 40 7.083 7.755 -3.891 1.00 0.00 H +ATOM 603 HG3 LYS A 40 7.392 7.664 -2.158 1.00 0.00 H +ATOM 604 HD2 LYS A 40 9.353 9.150 -2.440 1.00 0.00 H +ATOM 605 HD3 LYS A 40 8.996 9.270 -4.165 1.00 0.00 H +ATOM 606 HE2 LYS A 40 6.786 10.234 -3.648 1.00 0.00 H +ATOM 607 HE3 LYS A 40 7.131 10.107 -1.923 1.00 0.00 H +ATOM 608 HZ1 LYS A 40 7.855 12.199 -2.233 1.00 0.00 H +ATOM 609 HZ2 LYS A 40 8.156 11.983 -3.890 1.00 0.00 H +ATOM 610 HZ3 LYS A 40 9.276 11.424 -2.741 1.00 0.00 H +ATOM 611 N ARG A 41 9.851 3.821 -2.777 1.00 0.00 N +ATOM 612 CA ARG A 41 10.773 2.743 -3.001 1.00 0.00 C +ATOM 613 C ARG A 41 9.983 1.549 -3.529 1.00 0.00 C +ATOM 614 O ARG A 41 10.423 0.864 -4.438 1.00 0.00 O +ATOM 615 CB ARG A 41 11.468 2.412 -1.667 1.00 0.00 C +ATOM 616 CG ARG A 41 12.922 2.014 -1.910 1.00 0.00 C +ATOM 617 CD ARG A 41 13.589 1.674 -0.581 1.00 0.00 C +ATOM 618 NE ARG A 41 13.845 2.887 0.188 1.00 0.00 N +ATOM 619 CZ ARG A 41 14.197 2.822 1.468 1.00 0.00 C +ATOM 620 NH1 ARG A 41 14.294 1.663 2.059 1.00 0.00 N +ATOM 621 NH2 ARG A 41 14.446 3.918 2.133 1.00 0.00 N +ATOM 622 H ARG A 41 9.824 4.250 -1.909 1.00 0.00 H +ATOM 623 HA ARG A 41 11.507 3.046 -3.734 1.00 0.00 H +ATOM 624 HB2 ARG A 41 11.436 3.282 -1.032 1.00 0.00 H +ATOM 625 HB3 ARG A 41 10.951 1.593 -1.176 1.00 0.00 H +ATOM 626 HG2 ARG A 41 12.953 1.164 -2.557 1.00 0.00 H +ATOM 627 HG3 ARG A 41 13.448 2.836 -2.372 1.00 0.00 H +ATOM 628 HD2 ARG A 41 12.935 1.028 -0.013 1.00 0.00 H +ATOM 629 HD3 ARG A 41 14.520 1.162 -0.768 1.00 0.00 H +ATOM 630 HE ARG A 41 13.767 3.761 -0.248 1.00 0.00 H +ATOM 631 HH11 ARG A 41 14.104 0.825 1.548 1.00 0.00 H +ATOM 632 HH12 ARG A 41 14.558 1.613 3.022 1.00 0.00 H +ATOM 633 HH21 ARG A 41 14.371 4.806 1.679 1.00 0.00 H +ATOM 634 HH22 ARG A 41 14.710 3.867 3.096 1.00 0.00 H +ATOM 635 N VAL A 42 8.802 1.352 -2.942 1.00 0.00 N +ATOM 636 CA VAL A 42 7.884 0.277 -3.327 1.00 0.00 C +ATOM 637 C VAL A 42 7.233 0.559 -4.689 1.00 0.00 C +ATOM 638 O VAL A 42 7.211 -0.309 -5.560 1.00 0.00 O +ATOM 639 CB VAL A 42 6.792 0.116 -2.244 1.00 0.00 C +ATOM 640 CG1 VAL A 42 5.701 -0.839 -2.741 1.00 0.00 C +ATOM 641 CG2 VAL A 42 7.425 -0.453 -0.965 1.00 0.00 C +ATOM 642 H VAL A 42 8.531 1.966 -2.247 1.00 0.00 H +ATOM 643 HA VAL A 42 8.440 -0.646 -3.400 1.00 0.00 H +ATOM 644 HB VAL A 42 6.341 1.077 -2.023 1.00 0.00 H +ATOM 645 HG11 VAL A 42 5.118 -1.195 -1.903 1.00 0.00 H +ATOM 646 HG12 VAL A 42 6.160 -1.673 -3.243 1.00 0.00 H +ATOM 647 HG13 VAL A 42 5.055 -0.317 -3.431 1.00 0.00 H +ATOM 648 HG21 VAL A 42 6.775 -0.256 -0.125 1.00 0.00 H +ATOM 649 HG22 VAL A 42 8.382 0.016 -0.795 1.00 0.00 H +ATOM 650 HG23 VAL A 42 7.562 -1.519 -1.072 1.00 0.00 H +ATOM 651 N VAL A 43 6.708 1.772 -4.867 1.00 0.00 N +ATOM 652 CA VAL A 43 6.066 2.141 -6.128 1.00 0.00 C +ATOM 653 C VAL A 43 7.114 2.276 -7.226 1.00 0.00 C +ATOM 654 O VAL A 43 7.007 1.671 -8.292 1.00 0.00 O +ATOM 655 CB VAL A 43 5.305 3.456 -5.970 1.00 0.00 C +ATOM 656 CG1 VAL A 43 4.709 3.859 -7.319 1.00 0.00 C +ATOM 657 CG2 VAL A 43 4.177 3.267 -4.956 1.00 0.00 C +ATOM 658 H VAL A 43 6.760 2.426 -4.147 1.00 0.00 H +ATOM 659 HA VAL A 43 5.368 1.368 -6.398 1.00 0.00 H +ATOM 660 HB VAL A 43 5.980 4.227 -5.628 1.00 0.00 H +ATOM 661 HG11 VAL A 43 4.209 3.008 -7.759 1.00 0.00 H +ATOM 662 HG12 VAL A 43 5.498 4.191 -7.978 1.00 0.00 H +ATOM 663 HG13 VAL A 43 3.998 4.659 -7.176 1.00 0.00 H +ATOM 664 HG21 VAL A 43 3.673 4.208 -4.797 1.00 0.00 H +ATOM 665 HG22 VAL A 43 4.588 2.916 -4.021 1.00 0.00 H +ATOM 666 HG23 VAL A 43 3.472 2.541 -5.335 1.00 0.00 H +ATOM 667 N GLN A 44 8.141 3.058 -6.929 1.00 0.00 N +ATOM 668 CA GLN A 44 9.238 3.266 -7.851 1.00 0.00 C +ATOM 669 C GLN A 44 9.783 1.903 -8.279 1.00 0.00 C +ATOM 670 O GLN A 44 10.158 1.715 -9.436 1.00 0.00 O +ATOM 671 CB GLN A 44 10.335 4.121 -7.181 1.00 0.00 C +ATOM 672 CG GLN A 44 9.798 5.528 -6.891 1.00 0.00 C +ATOM 673 CD GLN A 44 9.586 6.284 -8.197 1.00 0.00 C +ATOM 674 OE1 GLN A 44 10.444 6.253 -9.078 1.00 0.00 O +ATOM 675 NE2 GLN A 44 8.489 6.970 -8.375 1.00 0.00 N +ATOM 676 H GLN A 44 8.164 3.494 -6.065 1.00 0.00 H +ATOM 677 HA GLN A 44 8.872 3.785 -8.724 1.00 0.00 H +ATOM 678 HB2 GLN A 44 10.642 3.667 -6.255 1.00 0.00 H +ATOM 679 HB3 GLN A 44 11.184 4.198 -7.839 1.00 0.00 H +ATOM 680 HG2 GLN A 44 8.859 5.452 -6.361 1.00 0.00 H +ATOM 681 HG3 GLN A 44 10.509 6.063 -6.276 1.00 0.00 H +ATOM 682 HE21 GLN A 44 7.808 6.998 -7.671 1.00 0.00 H +ATOM 683 HE22 GLN A 44 8.348 7.458 -9.213 1.00 0.00 H +ATOM 684 N HIS A 45 9.785 0.934 -7.351 1.00 0.00 N +ATOM 685 CA HIS A 45 10.242 -0.411 -7.680 1.00 0.00 C +ATOM 686 C HIS A 45 9.146 -1.173 -8.419 1.00 0.00 C +ATOM 687 O HIS A 45 9.423 -1.948 -9.337 1.00 0.00 O +ATOM 688 CB HIS A 45 10.601 -1.158 -6.389 1.00 0.00 C +ATOM 689 CG HIS A 45 10.474 -2.645 -6.566 1.00 0.00 C +ATOM 690 ND1 HIS A 45 11.499 -3.459 -7.034 1.00 0.00 N +ATOM 691 CD2 HIS A 45 9.408 -3.473 -6.349 1.00 0.00 C +ATOM 692 CE1 HIS A 45 11.022 -4.712 -7.087 1.00 0.00 C +ATOM 693 NE2 HIS A 45 9.755 -4.771 -6.684 1.00 0.00 N +ATOM 694 H HIS A 45 9.445 1.115 -6.436 1.00 0.00 H +ATOM 695 HA HIS A 45 11.114 -0.349 -8.315 1.00 0.00 H +ATOM 696 HB2 HIS A 45 11.600 -0.912 -6.100 1.00 0.00 H +ATOM 697 HB3 HIS A 45 9.917 -0.855 -5.617 1.00 0.00 H +ATOM 698 HD1 HIS A 45 12.405 -3.179 -7.268 1.00 0.00 H +ATOM 699 HD2 HIS A 45 8.450 -3.162 -5.943 1.00 0.00 H +ATOM 700 HE1 HIS A 45 11.599 -5.571 -7.398 1.00 0.00 H +ATOM 701 N THR A 46 7.907 -0.986 -7.985 1.00 0.00 N +ATOM 702 CA THR A 46 6.801 -1.711 -8.590 1.00 0.00 C +ATOM 703 C THR A 46 6.834 -1.603 -10.097 1.00 0.00 C +ATOM 704 O THR A 46 6.698 -2.605 -10.797 1.00 0.00 O +ATOM 705 CB THR A 46 5.468 -1.173 -8.049 1.00 0.00 C +ATOM 706 OG1 THR A 46 5.311 -1.602 -6.705 1.00 0.00 O +ATOM 707 CG2 THR A 46 4.267 -1.668 -8.884 1.00 0.00 C +ATOM 708 H THR A 46 7.741 -0.381 -7.218 1.00 0.00 H +ATOM 709 HA THR A 46 6.886 -2.744 -8.332 1.00 0.00 H +ATOM 710 HB THR A 46 5.494 -0.099 -8.076 1.00 0.00 H +ATOM 711 HG1 THR A 46 5.392 -0.833 -6.136 1.00 0.00 H +ATOM 712 HG21 THR A 46 3.948 -0.886 -9.561 1.00 0.00 H +ATOM 713 HG22 THR A 46 3.452 -1.916 -8.222 1.00 0.00 H +ATOM 714 HG23 THR A 46 4.543 -2.542 -9.454 1.00 0.00 H +ATOM 715 N LYS A 47 7.003 -0.403 -10.600 1.00 0.00 N +ATOM 716 CA LYS A 47 7.034 -0.233 -12.039 1.00 0.00 C +ATOM 717 C LYS A 47 8.353 -0.712 -12.622 1.00 0.00 C +ATOM 718 O LYS A 47 8.385 -1.272 -13.718 1.00 0.00 O +ATOM 719 CB LYS A 47 6.793 1.222 -12.408 1.00 0.00 C +ATOM 720 CG LYS A 47 5.388 1.631 -11.958 1.00 0.00 C +ATOM 721 CD LYS A 47 5.004 2.958 -12.610 1.00 0.00 C +ATOM 722 CE LYS A 47 5.850 4.095 -12.035 1.00 0.00 C +ATOM 723 NZ LYS A 47 5.295 5.401 -12.487 1.00 0.00 N +ATOM 724 H LYS A 47 7.114 0.372 -10.006 1.00 0.00 H +ATOM 725 HA LYS A 47 6.241 -0.840 -12.462 1.00 0.00 H +ATOM 726 HB2 LYS A 47 7.528 1.839 -11.914 1.00 0.00 H +ATOM 727 HB3 LYS A 47 6.880 1.339 -13.476 1.00 0.00 H +ATOM 728 HG2 LYS A 47 4.676 0.871 -12.248 1.00 0.00 H +ATOM 729 HG3 LYS A 47 5.374 1.745 -10.884 1.00 0.00 H +ATOM 730 HD2 LYS A 47 5.169 2.888 -13.675 1.00 0.00 H +ATOM 731 HD3 LYS A 47 3.961 3.157 -12.421 1.00 0.00 H +ATOM 732 HE2 LYS A 47 5.832 4.048 -10.955 1.00 0.00 H +ATOM 733 HE3 LYS A 47 6.867 4.000 -12.383 1.00 0.00 H +ATOM 734 HZ1 LYS A 47 4.610 5.748 -11.786 1.00 0.00 H +ATOM 735 HZ2 LYS A 47 4.822 5.276 -13.405 1.00 0.00 H +ATOM 736 HZ3 LYS A 47 6.067 6.091 -12.585 1.00 0.00 H +ATOM 737 N GLY A 48 9.444 -0.489 -11.897 1.00 0.00 N +ATOM 738 CA GLY A 48 10.751 -0.906 -12.380 1.00 0.00 C +ATOM 739 C GLY A 48 10.708 -2.341 -12.887 1.00 0.00 C +ATOM 740 O GLY A 48 11.504 -2.729 -13.742 1.00 0.00 O +ATOM 741 H GLY A 48 9.368 -0.036 -11.030 1.00 0.00 H +ATOM 742 HA2 GLY A 48 11.057 -0.253 -13.184 1.00 0.00 H +ATOM 743 HA3 GLY A 48 11.467 -0.838 -11.574 1.00 0.00 H +ATOM 744 N CYS A 49 9.762 -3.124 -12.363 1.00 0.00 N +ATOM 745 CA CYS A 49 9.608 -4.528 -12.781 1.00 0.00 C +ATOM 746 C CYS A 49 8.280 -4.713 -13.527 1.00 0.00 C +ATOM 747 O CYS A 49 7.219 -4.340 -13.023 1.00 0.00 O +ATOM 748 CB CYS A 49 9.685 -5.444 -11.551 1.00 0.00 C +ATOM 749 SG CYS A 49 11.416 -5.848 -11.208 1.00 0.00 S +ATOM 750 H CYS A 49 9.142 -2.745 -11.693 1.00 0.00 H +ATOM 751 HA CYS A 49 10.412 -4.791 -13.453 1.00 0.00 H +ATOM 752 HB2 CYS A 49 9.263 -4.933 -10.695 1.00 0.00 H +ATOM 753 HB3 CYS A 49 9.138 -6.358 -11.741 1.00 0.00 H +ATOM 754 HG CYS A 49 11.967 -5.245 -11.712 1.00 0.00 H +ATOM 755 N LYS A 50 8.341 -5.296 -14.728 1.00 0.00 N +ATOM 756 CA LYS A 50 7.138 -5.528 -15.527 1.00 0.00 C +ATOM 757 C LYS A 50 6.416 -6.788 -15.060 1.00 0.00 C +ATOM 758 O LYS A 50 5.189 -6.867 -15.114 1.00 0.00 O +ATOM 759 CB LYS A 50 7.512 -5.653 -17.011 1.00 0.00 C +ATOM 760 CG LYS A 50 8.131 -4.340 -17.524 1.00 0.00 C +ATOM 761 CD LYS A 50 7.036 -3.301 -17.809 1.00 0.00 C +ATOM 762 CE LYS A 50 7.675 -2.023 -18.358 1.00 0.00 C +ATOM 763 NZ LYS A 50 6.609 -1.021 -18.637 1.00 0.00 N +ATOM 764 H LYS A 50 9.207 -5.588 -15.079 1.00 0.00 H +ATOM 765 HA LYS A 50 6.468 -4.697 -15.396 1.00 0.00 H +ATOM 766 HB2 LYS A 50 8.228 -6.453 -17.130 1.00 0.00 H +ATOM 767 HB3 LYS A 50 6.627 -5.878 -17.586 1.00 0.00 H +ATOM 768 HG2 LYS A 50 8.804 -3.949 -16.776 1.00 0.00 H +ATOM 769 HG3 LYS A 50 8.680 -4.535 -18.431 1.00 0.00 H +ATOM 770 HD2 LYS A 50 6.345 -3.698 -18.538 1.00 0.00 H +ATOM 771 HD3 LYS A 50 6.505 -3.064 -16.904 1.00 0.00 H +ATOM 772 HE2 LYS A 50 8.365 -1.624 -17.628 1.00 0.00 H +ATOM 773 HE3 LYS A 50 8.206 -2.249 -19.270 1.00 0.00 H +ATOM 774 HZ1 LYS A 50 6.079 -1.306 -19.484 1.00 0.00 H +ATOM 775 HZ2 LYS A 50 7.042 -0.089 -18.794 1.00 0.00 H +ATOM 776 HZ3 LYS A 50 5.959 -0.971 -17.826 1.00 0.00 H +ATOM 777 N ARG A 51 7.183 -7.760 -14.586 1.00 0.00 N +ATOM 778 CA ARG A 51 6.604 -8.999 -14.091 1.00 0.00 C +ATOM 779 C ARG A 51 5.856 -8.723 -12.795 1.00 0.00 C +ATOM 780 O ARG A 51 4.799 -9.297 -12.535 1.00 0.00 O +ATOM 781 CB ARG A 51 7.707 -10.047 -13.867 1.00 0.00 C +ATOM 782 CG ARG A 51 7.123 -11.325 -13.210 1.00 0.00 C +ATOM 783 CD ARG A 51 7.482 -11.374 -11.719 1.00 0.00 C +ATOM 784 NE ARG A 51 8.930 -11.430 -11.557 1.00 0.00 N +ATOM 785 CZ ARG A 51 9.593 -12.575 -11.681 1.00 0.00 C +ATOM 786 NH1 ARG A 51 8.950 -13.676 -11.962 1.00 0.00 N +ATOM 787 NH2 ARG A 51 10.888 -12.597 -11.529 1.00 0.00 N +ATOM 788 H ARG A 51 8.151 -7.632 -14.543 1.00 0.00 H +ATOM 789 HA ARG A 51 5.904 -9.374 -14.821 1.00 0.00 H +ATOM 790 HB2 ARG A 51 8.138 -10.303 -14.826 1.00 0.00 H +ATOM 791 HB3 ARG A 51 8.476 -9.626 -13.237 1.00 0.00 H +ATOM 792 HG2 ARG A 51 6.048 -11.340 -13.317 1.00 0.00 H +ATOM 793 HG3 ARG A 51 7.535 -12.199 -13.696 1.00 0.00 H +ATOM 794 HD2 ARG A 51 7.103 -10.489 -11.228 1.00 0.00 H +ATOM 795 HD3 ARG A 51 7.035 -12.250 -11.272 1.00 0.00 H +ATOM 796 HE ARG A 51 9.424 -10.607 -11.353 1.00 0.00 H +ATOM 797 HH11 ARG A 51 7.957 -13.658 -12.084 1.00 0.00 H +ATOM 798 HH12 ARG A 51 9.449 -14.537 -12.055 1.00 0.00 H +ATOM 799 HH21 ARG A 51 11.381 -11.754 -11.321 1.00 0.00 H +ATOM 800 HH22 ARG A 51 11.387 -13.459 -11.622 1.00 0.00 H +ATOM 801 N LYS A 52 6.422 -7.835 -11.989 1.00 0.00 N +ATOM 802 CA LYS A 52 5.832 -7.462 -10.723 1.00 0.00 C +ATOM 803 C LYS A 52 4.548 -6.677 -10.932 1.00 0.00 C +ATOM 804 O LYS A 52 3.576 -6.846 -10.195 1.00 0.00 O +ATOM 805 CB LYS A 52 6.846 -6.627 -9.933 1.00 0.00 C +ATOM 806 CG LYS A 52 6.164 -5.852 -8.794 1.00 0.00 C +ATOM 807 CD LYS A 52 7.171 -5.528 -7.681 1.00 0.00 C +ATOM 808 CE LYS A 52 6.454 -4.960 -6.439 1.00 0.00 C +ATOM 809 NZ LYS A 52 7.304 -5.187 -5.235 1.00 0.00 N +ATOM 810 H LYS A 52 7.256 -7.407 -12.259 1.00 0.00 H +ATOM 811 HA LYS A 52 5.616 -8.355 -10.173 1.00 0.00 H +ATOM 812 HB2 LYS A 52 7.610 -7.276 -9.534 1.00 0.00 H +ATOM 813 HB3 LYS A 52 7.289 -5.925 -10.607 1.00 0.00 H +ATOM 814 HG2 LYS A 52 5.785 -4.919 -9.205 1.00 0.00 H +ATOM 815 HG3 LYS A 52 5.357 -6.436 -8.395 1.00 0.00 H +ATOM 816 HD2 LYS A 52 7.694 -6.427 -7.401 1.00 0.00 H +ATOM 817 HD3 LYS A 52 7.876 -4.804 -8.049 1.00 0.00 H +ATOM 818 HE2 LYS A 52 6.288 -3.905 -6.557 1.00 0.00 H +ATOM 819 HE3 LYS A 52 5.505 -5.451 -6.303 1.00 0.00 H +ATOM 820 HZ1 LYS A 52 7.083 -6.115 -4.823 1.00 0.00 H +ATOM 821 HZ2 LYS A 52 7.116 -4.442 -4.532 1.00 0.00 H +ATOM 822 HZ3 LYS A 52 8.307 -5.161 -5.507 1.00 0.00 H +ATOM 823 N THR A 53 4.560 -5.800 -11.922 1.00 0.00 N +ATOM 824 CA THR A 53 3.396 -4.976 -12.192 1.00 0.00 C +ATOM 825 C THR A 53 2.214 -5.839 -12.603 1.00 0.00 C +ATOM 826 O THR A 53 1.065 -5.401 -12.546 1.00 0.00 O +ATOM 827 CB THR A 53 3.724 -3.926 -13.276 1.00 0.00 C +ATOM 828 OG1 THR A 53 4.447 -2.855 -12.686 1.00 0.00 O +ATOM 829 CG2 THR A 53 2.446 -3.373 -13.939 1.00 0.00 C +ATOM 830 H THR A 53 5.368 -5.695 -12.468 1.00 0.00 H +ATOM 831 HA THR A 53 3.147 -4.475 -11.275 1.00 0.00 H +ATOM 832 HB THR A 53 4.338 -4.387 -14.035 1.00 0.00 H +ATOM 833 HG1 THR A 53 4.378 -2.940 -11.732 1.00 0.00 H +ATOM 834 HG21 THR A 53 2.695 -2.492 -14.513 1.00 0.00 H +ATOM 835 HG22 THR A 53 1.719 -3.111 -13.183 1.00 0.00 H +ATOM 836 HG23 THR A 53 2.028 -4.122 -14.596 1.00 0.00 H +ATOM 837 N ASN A 54 2.497 -7.066 -13.009 1.00 0.00 N +ATOM 838 CA ASN A 54 1.443 -7.978 -13.417 1.00 0.00 C +ATOM 839 C ASN A 54 0.876 -8.697 -12.199 1.00 0.00 C +ATOM 840 O ASN A 54 -0.012 -9.540 -12.330 1.00 0.00 O +ATOM 841 CB ASN A 54 2.003 -9.012 -14.394 1.00 0.00 C +ATOM 842 CG ASN A 54 2.433 -8.333 -15.689 1.00 0.00 C +ATOM 843 OD1 ASN A 54 1.893 -7.290 -16.056 1.00 0.00 O +ATOM 844 ND2 ASN A 54 3.385 -8.866 -16.405 1.00 0.00 N +ATOM 845 H ASN A 54 3.430 -7.365 -13.029 1.00 0.00 H +ATOM 846 HA ASN A 54 0.652 -7.425 -13.904 1.00 0.00 H +ATOM 847 HB2 ASN A 54 2.854 -9.502 -13.946 1.00 0.00 H +ATOM 848 HB3 ASN A 54 1.241 -9.746 -14.613 1.00 0.00 H +ATOM 849 HD21 ASN A 54 3.816 -9.695 -16.109 1.00 0.00 H +ATOM 850 HD22 ASN A 54 3.671 -8.438 -17.239 1.00 0.00 H +ATOM 851 N GLY A 55 1.404 -8.381 -11.010 1.00 0.00 N +ATOM 852 CA GLY A 55 0.938 -9.037 -9.786 1.00 0.00 C +ATOM 853 C GLY A 55 1.943 -10.090 -9.351 1.00 0.00 C +ATOM 854 O GLY A 55 1.745 -10.785 -8.355 1.00 0.00 O +ATOM 855 H GLY A 55 2.133 -7.711 -10.956 1.00 0.00 H +ATOM 856 HA2 GLY A 55 0.821 -8.308 -9.003 1.00 0.00 H +ATOM 857 HA3 GLY A 55 -0.012 -9.520 -9.966 1.00 0.00 H +ATOM 858 N GLY A 56 3.014 -10.216 -10.125 1.00 0.00 N +ATOM 859 CA GLY A 56 4.037 -11.205 -9.837 1.00 0.00 C +ATOM 860 C GLY A 56 4.424 -11.182 -8.363 1.00 0.00 C +ATOM 861 O GLY A 56 4.501 -12.226 -7.719 1.00 0.00 O +ATOM 862 H GLY A 56 3.103 -9.650 -10.923 1.00 0.00 H +ATOM 863 HA2 GLY A 56 3.671 -12.188 -10.095 1.00 0.00 H +ATOM 864 HA3 GLY A 56 4.915 -10.982 -10.425 1.00 0.00 H +ATOM 865 N CYS A 57 4.696 -9.992 -7.838 1.00 0.00 N +ATOM 866 CA CYS A 57 5.103 -9.851 -6.466 1.00 0.00 C +ATOM 867 C CYS A 57 3.920 -9.770 -5.506 1.00 0.00 C +ATOM 868 O CYS A 57 2.985 -9.008 -5.751 1.00 0.00 O +ATOM 869 CB CYS A 57 5.879 -8.559 -6.326 1.00 0.00 C +ATOM 870 SG CYS A 57 6.711 -8.562 -4.726 1.00 0.00 S +ATOM 871 H CYS A 57 4.650 -9.197 -8.385 1.00 0.00 H +ATOM 872 HA CYS A 57 5.750 -10.658 -6.216 1.00 0.00 H +ATOM 873 HB2 CYS A 57 6.594 -8.484 -7.118 1.00 0.00 H +ATOM 874 HB3 CYS A 57 5.201 -7.724 -6.378 1.00 0.00 H +ATOM 875 HG CYS A 57 7.049 -7.680 -4.566 1.00 0.00 H +ATOM 876 N PRO A 58 3.959 -10.450 -4.387 1.00 0.00 N +ATOM 877 CA PRO A 58 2.878 -10.323 -3.380 1.00 0.00 C +ATOM 878 C PRO A 58 2.619 -8.843 -3.095 1.00 0.00 C +ATOM 879 O PRO A 58 1.505 -8.448 -2.756 1.00 0.00 O +ATOM 880 CB PRO A 58 3.443 -11.039 -2.145 1.00 0.00 C +ATOM 881 CG PRO A 58 4.407 -12.039 -2.694 1.00 0.00 C +ATOM 882 CD PRO A 58 4.991 -11.418 -3.963 1.00 0.00 C +ATOM 883 HA PRO A 58 1.978 -10.813 -3.717 1.00 0.00 H +ATOM 884 HB2 PRO A 58 3.955 -10.335 -1.499 1.00 0.00 H +ATOM 885 HB3 PRO A 58 2.654 -11.538 -1.603 1.00 0.00 H +ATOM 886 HG2 PRO A 58 5.191 -12.240 -1.974 1.00 0.00 H +ATOM 887 HG3 PRO A 58 3.890 -12.951 -2.949 1.00 0.00 H +ATOM 888 HD2 PRO A 58 5.925 -10.917 -3.754 1.00 0.00 H +ATOM 889 HD3 PRO A 58 5.125 -12.177 -4.720 1.00 0.00 H +ATOM 890 N ILE A 59 3.666 -8.029 -3.274 1.00 0.00 N +ATOM 891 CA ILE A 59 3.549 -6.593 -3.075 1.00 0.00 C +ATOM 892 C ILE A 59 2.620 -6.020 -4.125 1.00 0.00 C +ATOM 893 O ILE A 59 1.736 -5.233 -3.808 1.00 0.00 O +ATOM 894 CB ILE A 59 4.936 -5.912 -3.145 1.00 0.00 C +ATOM 895 CG1 ILE A 59 5.700 -6.213 -1.858 1.00 0.00 C +ATOM 896 CG2 ILE A 59 4.804 -4.392 -3.321 1.00 0.00 C +ATOM 897 CD1 ILE A 59 7.151 -5.729 -1.983 1.00 0.00 C +ATOM 898 H ILE A 59 4.513 -8.401 -3.580 1.00 0.00 H +ATOM 899 HA ILE A 59 3.116 -6.413 -2.103 1.00 0.00 H +ATOM 900 HB ILE A 59 5.490 -6.310 -3.980 1.00 0.00 H +ATOM 901 HG12 ILE A 59 5.222 -5.708 -1.030 1.00 0.00 H +ATOM 902 HG13 ILE A 59 5.689 -7.275 -1.686 1.00 0.00 H +ATOM 903 HG21 ILE A 59 4.132 -3.996 -2.572 1.00 0.00 H +ATOM 904 HG22 ILE A 59 4.419 -4.173 -4.305 1.00 0.00 H +ATOM 905 HG23 ILE A 59 5.775 -3.933 -3.212 1.00 0.00 H +ATOM 906 HD11 ILE A 59 7.638 -6.251 -2.793 1.00 0.00 H +ATOM 907 HD12 ILE A 59 7.676 -5.925 -1.060 1.00 0.00 H +ATOM 908 HD13 ILE A 59 7.162 -4.665 -2.183 1.00 0.00 H +ATOM 909 N CYS A 60 2.796 -6.434 -5.379 1.00 0.00 N +ATOM 910 CA CYS A 60 1.924 -5.939 -6.427 1.00 0.00 C +ATOM 911 C CYS A 60 0.577 -6.619 -6.338 1.00 0.00 C +ATOM 912 O CYS A 60 -0.463 -5.986 -6.496 1.00 0.00 O +ATOM 913 CB CYS A 60 2.539 -6.114 -7.826 1.00 0.00 C +ATOM 914 SG CYS A 60 3.405 -4.596 -8.269 1.00 0.00 S +ATOM 915 H CYS A 60 3.497 -7.086 -5.592 1.00 0.00 H +ATOM 916 HA CYS A 60 1.774 -4.893 -6.255 1.00 0.00 H +ATOM 917 HB2 CYS A 60 3.234 -6.940 -7.829 1.00 0.00 H +ATOM 918 HB3 CYS A 60 1.760 -6.294 -8.553 1.00 0.00 H +ATOM 919 HG CYS A 60 3.559 -4.607 -9.217 1.00 0.00 H +ATOM 920 N LYS A 61 0.590 -7.904 -6.071 1.00 0.00 N +ATOM 921 CA LYS A 61 -0.666 -8.622 -5.965 1.00 0.00 C +ATOM 922 C LYS A 61 -1.538 -7.973 -4.890 1.00 0.00 C +ATOM 923 O LYS A 61 -2.710 -7.663 -5.122 1.00 0.00 O +ATOM 924 CB LYS A 61 -0.393 -10.079 -5.610 1.00 0.00 C +ATOM 925 CG LYS A 61 -1.605 -10.931 -5.988 1.00 0.00 C +ATOM 926 CD LYS A 61 -1.418 -12.351 -5.461 1.00 0.00 C +ATOM 927 CE LYS A 61 -0.261 -13.040 -6.195 1.00 0.00 C +ATOM 928 NZ LYS A 61 -0.347 -14.511 -5.981 1.00 0.00 N +ATOM 929 H LYS A 61 1.452 -8.373 -5.945 1.00 0.00 H +ATOM 930 HA LYS A 61 -1.181 -8.580 -6.912 1.00 0.00 H +ATOM 931 HB2 LYS A 61 0.472 -10.415 -6.157 1.00 0.00 H +ATOM 932 HB3 LYS A 61 -0.206 -10.168 -4.549 1.00 0.00 H +ATOM 933 HG2 LYS A 61 -2.496 -10.499 -5.554 1.00 0.00 H +ATOM 934 HG3 LYS A 61 -1.706 -10.956 -7.063 1.00 0.00 H +ATOM 935 HD2 LYS A 61 -1.197 -12.306 -4.406 1.00 0.00 H +ATOM 936 HD3 LYS A 61 -2.325 -12.909 -5.616 1.00 0.00 H +ATOM 937 HE2 LYS A 61 -0.322 -12.826 -7.252 1.00 0.00 H +ATOM 938 HE3 LYS A 61 0.680 -12.679 -5.808 1.00 0.00 H +ATOM 939 HZ1 LYS A 61 0.027 -14.748 -5.040 1.00 0.00 H +ATOM 940 HZ2 LYS A 61 0.213 -15.000 -6.709 1.00 0.00 H +ATOM 941 HZ3 LYS A 61 -1.339 -14.814 -6.045 1.00 0.00 H +ATOM 942 N GLN A 62 -0.946 -7.755 -3.721 1.00 0.00 N +ATOM 943 CA GLN A 62 -1.660 -7.128 -2.617 1.00 0.00 C +ATOM 944 C GLN A 62 -1.945 -5.653 -2.905 1.00 0.00 C +ATOM 945 O GLN A 62 -3.037 -5.159 -2.619 1.00 0.00 O +ATOM 946 CB GLN A 62 -0.839 -7.251 -1.333 1.00 0.00 C +ATOM 947 CG GLN A 62 -0.802 -8.715 -0.887 1.00 0.00 C +ATOM 948 CD GLN A 62 0.111 -8.867 0.325 1.00 0.00 C +ATOM 949 OE1 GLN A 62 0.650 -7.880 0.824 1.00 0.00 O +ATOM 950 NE2 GLN A 62 0.317 -10.052 0.831 1.00 0.00 N +ATOM 951 H GLN A 62 -0.008 -8.009 -3.604 1.00 0.00 H +ATOM 952 HA GLN A 62 -2.598 -7.643 -2.478 1.00 0.00 H +ATOM 953 HB2 GLN A 62 0.167 -6.902 -1.514 1.00 0.00 H +ATOM 954 HB3 GLN A 62 -1.292 -6.652 -0.556 1.00 0.00 H +ATOM 955 HG2 GLN A 62 -1.801 -9.034 -0.626 1.00 0.00 H +ATOM 956 HG3 GLN A 62 -0.429 -9.327 -1.695 1.00 0.00 H +ATOM 957 HE21 GLN A 62 -0.115 -10.836 0.433 1.00 0.00 H +ATOM 958 HE22 GLN A 62 0.904 -10.157 1.609 1.00 0.00 H +ATOM 959 N LEU A 63 -0.955 -4.948 -3.457 1.00 0.00 N +ATOM 960 CA LEU A 63 -1.120 -3.524 -3.758 1.00 0.00 C +ATOM 961 C LEU A 63 -2.194 -3.321 -4.822 1.00 0.00 C +ATOM 962 O LEU A 63 -3.002 -2.398 -4.727 1.00 0.00 O +ATOM 963 CB LEU A 63 0.207 -2.907 -4.207 1.00 0.00 C +ATOM 964 CG LEU A 63 0.070 -1.391 -4.386 1.00 0.00 C +ATOM 965 CD1 LEU A 63 -0.250 -0.704 -3.042 1.00 0.00 C +ATOM 966 CD2 LEU A 63 1.396 -0.859 -4.934 1.00 0.00 C +ATOM 967 H LEU A 63 -0.101 -5.391 -3.657 1.00 0.00 H +ATOM 968 HA LEU A 63 -1.438 -3.032 -2.859 1.00 0.00 H +ATOM 969 HB2 LEU A 63 0.962 -3.101 -3.466 1.00 0.00 H +ATOM 970 HB3 LEU A 63 0.502 -3.345 -5.144 1.00 0.00 H +ATOM 971 HG LEU A 63 -0.721 -1.184 -5.089 1.00 0.00 H +ATOM 972 HD11 LEU A 63 -1.318 -0.703 -2.881 1.00 0.00 H +ATOM 973 HD12 LEU A 63 0.102 0.318 -3.065 1.00 0.00 H +ATOM 974 HD13 LEU A 63 0.237 -1.228 -2.232 1.00 0.00 H +ATOM 975 HD21 LEU A 63 1.577 -1.285 -5.908 1.00 0.00 H +ATOM 976 HD22 LEU A 63 2.197 -1.140 -4.266 1.00 0.00 H +ATOM 977 HD23 LEU A 63 1.355 0.217 -5.010 1.00 0.00 H +ATOM 978 N ILE A 64 -2.215 -4.197 -5.824 1.00 0.00 N +ATOM 979 CA ILE A 64 -3.216 -4.106 -6.876 1.00 0.00 C +ATOM 980 C ILE A 64 -4.603 -4.258 -6.260 1.00 0.00 C +ATOM 981 O ILE A 64 -5.530 -3.527 -6.602 1.00 0.00 O +ATOM 982 CB ILE A 64 -2.963 -5.196 -7.933 1.00 0.00 C +ATOM 983 CG1 ILE A 64 -1.748 -4.805 -8.781 1.00 0.00 C +ATOM 984 CG2 ILE A 64 -4.183 -5.351 -8.847 1.00 0.00 C +ATOM 985 CD1 ILE A 64 -1.292 -6.002 -9.623 1.00 0.00 C +ATOM 986 H ILE A 64 -1.557 -4.920 -5.850 1.00 0.00 H +ATOM 987 HA ILE A 64 -3.143 -3.137 -7.347 1.00 0.00 H +ATOM 988 HB ILE A 64 -2.768 -6.135 -7.435 1.00 0.00 H +ATOM 989 HG12 ILE A 64 -2.023 -3.994 -9.430 1.00 0.00 H +ATOM 990 HG13 ILE A 64 -0.943 -4.487 -8.142 1.00 0.00 H +ATOM 991 HG21 ILE A 64 -4.525 -4.377 -9.161 1.00 0.00 H +ATOM 992 HG22 ILE A 64 -4.973 -5.855 -8.311 1.00 0.00 H +ATOM 993 HG23 ILE A 64 -3.909 -5.934 -9.715 1.00 0.00 H +ATOM 994 HD11 ILE A 64 -2.064 -6.256 -10.336 1.00 0.00 H +ATOM 995 HD12 ILE A 64 -1.105 -6.848 -8.979 1.00 0.00 H +ATOM 996 HD13 ILE A 64 -0.386 -5.745 -10.151 1.00 0.00 H +ATOM 997 N ALA A 65 -4.737 -5.200 -5.337 1.00 0.00 N +ATOM 998 CA ALA A 65 -6.013 -5.406 -4.671 1.00 0.00 C +ATOM 999 C ALA A 65 -6.351 -4.190 -3.820 1.00 0.00 C +ATOM 1000 O ALA A 65 -7.473 -3.689 -3.857 1.00 0.00 O +ATOM 1001 CB ALA A 65 -5.959 -6.655 -3.791 1.00 0.00 C +ATOM 1002 H ALA A 65 -3.970 -5.743 -5.087 1.00 0.00 H +ATOM 1003 HA ALA A 65 -6.776 -5.529 -5.420 1.00 0.00 H +ATOM 1004 HB1 ALA A 65 -5.202 -6.525 -3.031 1.00 0.00 H +ATOM 1005 HB2 ALA A 65 -5.717 -7.514 -4.398 1.00 0.00 H +ATOM 1006 HB3 ALA A 65 -6.920 -6.804 -3.320 1.00 0.00 H +ATOM 1007 N LEU A 66 -5.362 -3.696 -3.083 1.00 0.00 N +ATOM 1008 CA LEU A 66 -5.565 -2.512 -2.260 1.00 0.00 C +ATOM 1009 C LEU A 66 -5.953 -1.371 -3.179 1.00 0.00 C +ATOM 1010 O LEU A 66 -6.857 -0.587 -2.887 1.00 0.00 O +ATOM 1011 CB LEU A 66 -4.281 -2.178 -1.491 1.00 0.00 C +ATOM 1012 CG LEU A 66 -4.391 -0.816 -0.799 1.00 0.00 C +ATOM 1013 CD1 LEU A 66 -5.646 -0.763 0.079 1.00 0.00 C +ATOM 1014 CD2 LEU A 66 -3.152 -0.620 0.079 1.00 0.00 C +ATOM 1015 H LEU A 66 -4.478 -4.120 -3.115 1.00 0.00 H +ATOM 1016 HA LEU A 66 -6.365 -2.702 -1.563 1.00 0.00 H +ATOM 1017 HB2 LEU A 66 -4.104 -2.940 -0.747 1.00 0.00 H +ATOM 1018 HB3 LEU A 66 -3.453 -2.154 -2.179 1.00 0.00 H +ATOM 1019 HG LEU A 66 -4.432 -0.030 -1.540 1.00 0.00 H +ATOM 1020 HD11 LEU A 66 -5.577 0.079 0.749 1.00 0.00 H +ATOM 1021 HD12 LEU A 66 -5.726 -1.675 0.650 1.00 0.00 H +ATOM 1022 HD13 LEU A 66 -6.518 -0.650 -0.546 1.00 0.00 H +ATOM 1023 HD21 LEU A 66 -2.264 -0.731 -0.524 1.00 0.00 H +ATOM 1024 HD22 LEU A 66 -3.148 -1.360 0.866 1.00 0.00 H +ATOM 1025 HD23 LEU A 66 -3.169 0.366 0.513 1.00 0.00 H +ATOM 1026 N ALA A 67 -5.276 -1.325 -4.316 1.00 0.00 N +ATOM 1027 CA ALA A 67 -5.553 -0.328 -5.328 1.00 0.00 C +ATOM 1028 C ALA A 67 -6.956 -0.546 -5.874 1.00 0.00 C +ATOM 1029 O ALA A 67 -7.657 0.405 -6.211 1.00 0.00 O +ATOM 1030 CB ALA A 67 -4.544 -0.456 -6.464 1.00 0.00 C +ATOM 1031 H ALA A 67 -4.595 -2.001 -4.491 1.00 0.00 H +ATOM 1032 HA ALA A 67 -5.483 0.658 -4.894 1.00 0.00 H +ATOM 1033 HB1 ALA A 67 -3.542 -0.423 -6.063 1.00 0.00 H +ATOM 1034 HB2 ALA A 67 -4.681 0.356 -7.162 1.00 0.00 H +ATOM 1035 HB3 ALA A 67 -4.698 -1.396 -6.971 1.00 0.00 H +ATOM 1036 N ALA A 68 -7.357 -1.814 -5.960 1.00 0.00 N +ATOM 1037 CA ALA A 68 -8.684 -2.142 -6.470 1.00 0.00 C +ATOM 1038 C ALA A 68 -9.755 -1.502 -5.593 1.00 0.00 C +ATOM 1039 O ALA A 68 -10.682 -0.868 -6.092 1.00 0.00 O +ATOM 1040 CB ALA A 68 -8.882 -3.658 -6.507 1.00 0.00 C +ATOM 1041 H ALA A 68 -6.752 -2.538 -5.674 1.00 0.00 H +ATOM 1042 HA ALA A 68 -8.777 -1.753 -7.473 1.00 0.00 H +ATOM 1043 HB1 ALA A 68 -9.707 -3.896 -7.163 1.00 0.00 H +ATOM 1044 HB2 ALA A 68 -9.099 -4.021 -5.513 1.00 0.00 H +ATOM 1045 HB3 ALA A 68 -7.984 -4.130 -6.874 1.00 0.00 H +ATOM 1046 N TYR A 69 -9.616 -1.666 -4.282 1.00 0.00 N +ATOM 1047 CA TYR A 69 -10.579 -1.089 -3.351 1.00 0.00 C +ATOM 1048 C TYR A 69 -10.601 0.436 -3.467 1.00 0.00 C +ATOM 1049 O TYR A 69 -11.670 1.044 -3.510 1.00 0.00 O +ATOM 1050 CB TYR A 69 -10.233 -1.489 -1.912 1.00 0.00 C +ATOM 1051 CG TYR A 69 -10.573 -2.947 -1.689 1.00 0.00 C +ATOM 1052 CD1 TYR A 69 -11.907 -3.334 -1.513 1.00 0.00 C +ATOM 1053 CD2 TYR A 69 -9.557 -3.909 -1.652 1.00 0.00 C +ATOM 1054 CE1 TYR A 69 -12.225 -4.681 -1.306 1.00 0.00 C +ATOM 1055 CE2 TYR A 69 -9.875 -5.257 -1.445 1.00 0.00 C +ATOM 1056 CZ TYR A 69 -11.209 -5.643 -1.272 1.00 0.00 C +ATOM 1057 OH TYR A 69 -11.523 -6.971 -1.066 1.00 0.00 O +ATOM 1058 H TYR A 69 -8.854 -2.178 -3.937 1.00 0.00 H +ATOM 1059 HA TYR A 69 -11.562 -1.467 -3.589 1.00 0.00 H +ATOM 1060 HB2 TYR A 69 -9.177 -1.336 -1.741 1.00 0.00 H +ATOM 1061 HB3 TYR A 69 -10.799 -0.881 -1.223 1.00 0.00 H +ATOM 1062 HD1 TYR A 69 -12.692 -2.592 -1.541 1.00 0.00 H +ATOM 1063 HD2 TYR A 69 -8.529 -3.612 -1.783 1.00 0.00 H +ATOM 1064 HE1 TYR A 69 -13.255 -4.978 -1.169 1.00 0.00 H +ATOM 1065 HE2 TYR A 69 -9.090 -5.999 -1.419 1.00 0.00 H +ATOM 1066 HH TYR A 69 -10.812 -7.368 -0.558 1.00 0.00 H +ATOM 1067 N HIS A 70 -9.419 1.052 -3.514 1.00 0.00 N +ATOM 1068 CA HIS A 70 -9.335 2.509 -3.619 1.00 0.00 C +ATOM 1069 C HIS A 70 -9.792 3.006 -4.990 1.00 0.00 C +ATOM 1070 O HIS A 70 -10.607 3.923 -5.087 1.00 0.00 O +ATOM 1071 CB HIS A 70 -7.899 2.968 -3.367 1.00 0.00 C +ATOM 1072 CG HIS A 70 -7.828 4.466 -3.485 1.00 0.00 C +ATOM 1073 ND1 HIS A 70 -8.693 5.303 -2.798 1.00 0.00 N +ATOM 1074 CD2 HIS A 70 -7.006 5.289 -4.212 1.00 0.00 C +ATOM 1075 CE1 HIS A 70 -8.374 6.569 -3.124 1.00 0.00 C +ATOM 1076 NE2 HIS A 70 -7.353 6.617 -3.982 1.00 0.00 N +ATOM 1077 H HIS A 70 -8.593 0.521 -3.476 1.00 0.00 H +ATOM 1078 HA HIS A 70 -9.973 2.946 -2.866 1.00 0.00 H +ATOM 1079 HB2 HIS A 70 -7.594 2.670 -2.375 1.00 0.00 H +ATOM 1080 HB3 HIS A 70 -7.243 2.520 -4.098 1.00 0.00 H +ATOM 1081 HD1 HIS A 70 -9.408 5.024 -2.188 1.00 0.00 H +ATOM 1082 HD2 HIS A 70 -6.211 4.957 -4.862 1.00 0.00 H +ATOM 1083 HE1 HIS A 70 -8.885 7.440 -2.740 1.00 0.00 H +ATOM 1084 N ALA A 71 -9.257 2.404 -6.045 1.00 0.00 N +ATOM 1085 CA ALA A 71 -9.612 2.805 -7.404 1.00 0.00 C +ATOM 1086 C ALA A 71 -11.109 2.637 -7.640 1.00 0.00 C +ATOM 1087 O ALA A 71 -11.694 3.318 -8.483 1.00 0.00 O +ATOM 1088 CB ALA A 71 -8.832 1.976 -8.424 1.00 0.00 C +ATOM 1089 H ALA A 71 -8.608 1.686 -5.907 1.00 0.00 H +ATOM 1090 HA ALA A 71 -9.355 3.846 -7.536 1.00 0.00 H +ATOM 1091 HB1 ALA A 71 -7.772 2.067 -8.228 1.00 0.00 H +ATOM 1092 HB2 ALA A 71 -9.045 2.338 -9.420 1.00 0.00 H +ATOM 1093 HB3 ALA A 71 -9.127 0.943 -8.346 1.00 0.00 H +ATOM 1094 N LYS A 72 -11.727 1.743 -6.876 1.00 0.00 N +ATOM 1095 CA LYS A 72 -13.162 1.514 -6.995 1.00 0.00 C +ATOM 1096 C LYS A 72 -13.923 2.636 -6.297 1.00 0.00 C +ATOM 1097 O LYS A 72 -14.756 3.304 -6.911 1.00 0.00 O +ATOM 1098 CB LYS A 72 -13.530 0.158 -6.376 1.00 0.00 C +ATOM 1099 CG LYS A 72 -13.260 -0.967 -7.392 1.00 0.00 C +ATOM 1100 CD LYS A 72 -13.379 -2.347 -6.721 1.00 0.00 C +ATOM 1101 CE LYS A 72 -13.016 -3.432 -7.736 1.00 0.00 C +ATOM 1102 NZ LYS A 72 -13.060 -4.763 -7.068 1.00 0.00 N +ATOM 1103 H LYS A 72 -11.215 1.251 -6.205 1.00 0.00 H +ATOM 1104 HA LYS A 72 -13.434 1.519 -8.041 1.00 0.00 H +ATOM 1105 HB2 LYS A 72 -12.935 -0.005 -5.489 1.00 0.00 H +ATOM 1106 HB3 LYS A 72 -14.581 0.164 -6.111 1.00 0.00 H +ATOM 1107 HG2 LYS A 72 -13.981 -0.901 -8.192 1.00 0.00 H +ATOM 1108 HG3 LYS A 72 -12.268 -0.851 -7.799 1.00 0.00 H +ATOM 1109 HD2 LYS A 72 -12.699 -2.402 -5.882 1.00 0.00 H +ATOM 1110 HD3 LYS A 72 -14.390 -2.510 -6.379 1.00 0.00 H +ATOM 1111 HE2 LYS A 72 -13.724 -3.415 -8.551 1.00 0.00 H +ATOM 1112 HE3 LYS A 72 -12.022 -3.253 -8.117 1.00 0.00 H +ATOM 1113 HZ1 LYS A 72 -13.492 -4.665 -6.127 1.00 0.00 H +ATOM 1114 HZ2 LYS A 72 -12.092 -5.132 -6.968 1.00 0.00 H +ATOM 1115 HZ3 LYS A 72 -13.626 -5.420 -7.639 1.00 0.00 H +ATOM 1116 N HIS A 73 -13.629 2.851 -5.018 1.00 0.00 N +ATOM 1117 CA HIS A 73 -14.295 3.904 -4.279 1.00 0.00 C +ATOM 1118 C HIS A 73 -14.056 5.241 -4.958 1.00 0.00 C +ATOM 1119 O HIS A 73 -14.977 6.046 -5.098 1.00 0.00 O +ATOM 1120 CB HIS A 73 -13.797 3.931 -2.832 1.00 0.00 C +ATOM 1121 CG HIS A 73 -14.518 5.002 -2.062 1.00 0.00 C +ATOM 1122 ND1 HIS A 73 -13.896 6.182 -1.684 1.00 0.00 N +ATOM 1123 CD2 HIS A 73 -15.802 5.085 -1.581 1.00 0.00 C +ATOM 1124 CE1 HIS A 73 -14.798 6.918 -1.009 1.00 0.00 C +ATOM 1125 NE2 HIS A 73 -15.977 6.295 -0.917 1.00 0.00 N +ATOM 1126 H HIS A 73 -12.962 2.296 -4.568 1.00 0.00 H +ATOM 1127 HA HIS A 73 -15.349 3.703 -4.291 1.00 0.00 H +ATOM 1128 HB2 HIS A 73 -13.984 2.972 -2.372 1.00 0.00 H +ATOM 1129 HB3 HIS A 73 -12.737 4.133 -2.821 1.00 0.00 H +ATOM 1130 HD1 HIS A 73 -12.968 6.433 -1.873 1.00 0.00 H +ATOM 1131 HD2 HIS A 73 -16.561 4.326 -1.700 1.00 0.00 H +ATOM 1132 HE1 HIS A 73 -14.593 7.893 -0.591 1.00 0.00 H +ATOM 1133 N CYS A 74 -12.833 5.462 -5.425 1.00 0.00 N +ATOM 1134 CA CYS A 74 -12.533 6.690 -6.135 1.00 0.00 C +ATOM 1135 C CYS A 74 -13.125 6.578 -7.530 1.00 0.00 C +ATOM 1136 O CYS A 74 -12.597 5.867 -8.384 1.00 0.00 O +ATOM 1137 CB CYS A 74 -11.022 6.902 -6.216 1.00 0.00 C +ATOM 1138 SG CYS A 74 -10.679 8.535 -6.913 1.00 0.00 S +ATOM 1139 H CYS A 74 -12.140 4.777 -5.329 1.00 0.00 H +ATOM 1140 HA CYS A 74 -12.986 7.524 -5.623 1.00 0.00 H +ATOM 1141 HB2 CYS A 74 -10.597 6.836 -5.225 1.00 0.00 H +ATOM 1142 HB3 CYS A 74 -10.586 6.142 -6.847 1.00 0.00 H +ATOM 1143 HG CYS A 74 -9.832 8.831 -6.572 1.00 0.00 H +ATOM 1144 N GLN A 75 -14.245 7.258 -7.748 1.00 0.00 N +ATOM 1145 CA GLN A 75 -14.924 7.198 -9.034 1.00 0.00 C +ATOM 1146 C GLN A 75 -14.237 8.123 -10.025 1.00 0.00 C +ATOM 1147 O GLN A 75 -14.590 8.190 -11.202 1.00 0.00 O +ATOM 1148 CB GLN A 75 -16.399 7.601 -8.849 1.00 0.00 C +ATOM 1149 CG GLN A 75 -17.229 7.264 -10.095 1.00 0.00 C +ATOM 1150 CD GLN A 75 -17.260 5.756 -10.317 1.00 0.00 C +ATOM 1151 OE1 GLN A 75 -17.410 4.992 -9.364 1.00 0.00 O +ATOM 1152 NE2 GLN A 75 -17.124 5.280 -11.524 1.00 0.00 N +ATOM 1153 H GLN A 75 -14.635 7.788 -7.024 1.00 0.00 H +ATOM 1154 HA GLN A 75 -14.871 6.188 -9.397 1.00 0.00 H +ATOM 1155 HB2 GLN A 75 -16.805 7.071 -8.000 1.00 0.00 H +ATOM 1156 HB3 GLN A 75 -16.455 8.664 -8.663 1.00 0.00 H +ATOM 1157 HG2 GLN A 75 -18.239 7.620 -9.953 1.00 0.00 H +ATOM 1158 HG3 GLN A 75 -16.806 7.745 -10.960 1.00 0.00 H +ATOM 1159 HE21 GLN A 75 -17.002 5.890 -12.281 1.00 0.00 H +ATOM 1160 HE22 GLN A 75 -17.142 4.311 -11.673 1.00 0.00 H +ATOM 1161 N GLU A 76 -13.239 8.830 -9.528 1.00 0.00 N +ATOM 1162 CA GLU A 76 -12.474 9.764 -10.348 1.00 0.00 C +ATOM 1163 C GLU A 76 -11.097 9.212 -10.629 1.00 0.00 C +ATOM 1164 O GLU A 76 -10.463 8.611 -9.762 1.00 0.00 O +ATOM 1165 CB GLU A 76 -12.360 11.113 -9.636 1.00 0.00 C +ATOM 1166 CG GLU A 76 -11.624 12.108 -10.535 1.00 0.00 C +ATOM 1167 CD GLU A 76 -11.610 13.486 -9.884 1.00 0.00 C +ATOM 1168 OE1 GLU A 76 -11.950 13.571 -8.715 1.00 0.00 O +ATOM 1169 OE2 GLU A 76 -11.262 14.437 -10.564 1.00 0.00 O +ATOM 1170 H GLU A 76 -13.005 8.712 -8.588 1.00 0.00 H +ATOM 1171 HA GLU A 76 -12.973 9.910 -11.291 1.00 0.00 H +ATOM 1172 HB2 GLU A 76 -13.349 11.488 -9.419 1.00 0.00 H +ATOM 1173 HB3 GLU A 76 -11.812 10.989 -8.714 1.00 0.00 H +ATOM 1174 HG2 GLU A 76 -10.607 11.774 -10.683 1.00 0.00 H +ATOM 1175 HG3 GLU A 76 -12.124 12.169 -11.489 1.00 0.00 H +ATOM 1176 N ASN A 77 -10.634 9.429 -11.850 1.00 0.00 N +ATOM 1177 CA ASN A 77 -9.325 8.956 -12.232 1.00 0.00 C +ATOM 1178 C ASN A 77 -8.291 9.919 -11.697 1.00 0.00 C +ATOM 1179 O ASN A 77 -7.889 10.850 -12.395 1.00 0.00 O +ATOM 1180 CB ASN A 77 -9.213 8.870 -13.757 1.00 0.00 C +ATOM 1181 CG ASN A 77 -7.778 8.554 -14.166 1.00 0.00 C +ATOM 1182 OD1 ASN A 77 -7.189 7.584 -13.687 1.00 0.00 O +ATOM 1183 ND2 ASN A 77 -7.175 9.326 -15.031 1.00 0.00 N +ATOM 1184 H ASN A 77 -11.176 9.925 -12.496 1.00 0.00 H +ATOM 1185 HA ASN A 77 -9.169 7.979 -11.806 1.00 0.00 H +ATOM 1186 HB2 ASN A 77 -9.869 8.094 -14.121 1.00 0.00 H +ATOM 1187 HB3 ASN A 77 -9.503 9.817 -14.186 1.00 0.00 H +ATOM 1188 HD21 ASN A 77 -7.646 10.098 -15.409 1.00 0.00 H +ATOM 1189 HD22 ASN A 77 -6.252 9.136 -15.300 1.00 0.00 H +ATOM 1190 N LYS A 78 -7.881 9.705 -10.444 1.00 0.00 N +ATOM 1191 CA LYS A 78 -6.901 10.583 -9.801 1.00 0.00 C +ATOM 1192 C LYS A 78 -5.912 11.127 -10.832 1.00 0.00 C +ATOM 1193 O LYS A 78 -5.952 12.317 -11.136 1.00 0.00 O +ATOM 1194 CB LYS A 78 -6.162 9.830 -8.680 1.00 0.00 C +ATOM 1195 CG LYS A 78 -7.042 9.725 -7.422 1.00 0.00 C +ATOM 1196 CD LYS A 78 -7.048 11.063 -6.657 1.00 0.00 C +ATOM 1197 CE LYS A 78 -7.838 10.921 -5.353 1.00 0.00 C +ATOM 1198 NZ LYS A 78 -7.986 12.264 -4.727 1.00 0.00 N +ATOM 1199 H LYS A 78 -8.262 8.954 -9.938 1.00 0.00 H +ATOM 1200 HA LYS A 78 -7.431 11.415 -9.380 1.00 0.00 H +ATOM 1201 HB2 LYS A 78 -5.913 8.835 -9.021 1.00 0.00 H +ATOM 1202 HB3 LYS A 78 -5.257 10.357 -8.432 1.00 0.00 H +ATOM 1203 HG2 LYS A 78 -8.051 9.474 -7.715 1.00 0.00 H +ATOM 1204 HG3 LYS A 78 -6.652 8.948 -6.782 1.00 0.00 H +ATOM 1205 HD2 LYS A 78 -6.033 11.348 -6.429 1.00 0.00 H +ATOM 1206 HD3 LYS A 78 -7.506 11.829 -7.256 1.00 0.00 H +ATOM 1207 HE2 LYS A 78 -8.816 10.511 -5.560 1.00 0.00 H +ATOM 1208 HE3 LYS A 78 -7.307 10.267 -4.677 1.00 0.00 H +ATOM 1209 HZ1 LYS A 78 -7.463 12.290 -3.829 1.00 0.00 H +ATOM 1210 HZ2 LYS A 78 -8.994 12.455 -4.548 1.00 0.00 H +ATOM 1211 HZ3 LYS A 78 -7.606 12.989 -5.368 1.00 0.00 H +ATOM 1212 N CYS A 79 -5.086 10.227 -11.394 1.00 0.00 N +ATOM 1213 CA CYS A 79 -4.109 10.555 -12.452 1.00 0.00 C +ATOM 1214 C CYS A 79 -2.693 10.057 -12.124 1.00 0.00 C +ATOM 1215 O CYS A 79 -2.152 9.252 -12.880 1.00 0.00 O +ATOM 1216 CB CYS A 79 -4.083 12.048 -12.819 1.00 0.00 C +ATOM 1217 SG CYS A 79 -2.747 12.344 -14.006 1.00 0.00 S +ATOM 1218 H CYS A 79 -5.166 9.290 -11.116 1.00 0.00 H +ATOM 1219 HA CYS A 79 -4.425 10.019 -13.336 1.00 0.00 H +ATOM 1220 HB2 CYS A 79 -5.031 12.318 -13.269 1.00 0.00 H +ATOM 1221 HB3 CYS A 79 -3.918 12.646 -11.945 1.00 0.00 H +ATOM 1222 HG CYS A 79 -3.037 12.030 -14.864 1.00 0.00 H +ATOM 1223 N PRO A 80 -2.062 10.490 -11.053 1.00 0.00 N +ATOM 1224 CA PRO A 80 -0.681 10.022 -10.723 1.00 0.00 C +ATOM 1225 C PRO A 80 -0.647 8.531 -10.370 1.00 0.00 C +ATOM 1226 O PRO A 80 0.348 7.860 -10.621 1.00 0.00 O +ATOM 1227 CB PRO A 80 -0.301 10.878 -9.509 1.00 0.00 C +ATOM 1228 CG PRO A 80 -1.603 11.161 -8.865 1.00 0.00 C +ATOM 1229 CD PRO A 80 -2.546 11.437 -10.032 1.00 0.00 C +ATOM 1230 HA PRO A 80 -0.009 10.231 -11.540 1.00 0.00 H +ATOM 1231 HB2 PRO A 80 0.352 10.335 -8.856 1.00 0.00 H +ATOM 1232 HB3 PRO A 80 0.160 11.794 -9.809 1.00 0.00 H +ATOM 1233 HG2 PRO A 80 -1.924 10.296 -8.307 1.00 0.00 H +ATOM 1234 HG3 PRO A 80 -1.537 12.027 -8.225 1.00 0.00 H +ATOM 1235 HD2 PRO A 80 -3.568 11.237 -9.757 1.00 0.00 H +ATOM 1236 HD3 PRO A 80 -2.421 12.452 -10.369 1.00 0.00 H +ATOM 1237 N VAL A 81 -1.736 8.027 -9.780 1.00 0.00 N +ATOM 1238 CA VAL A 81 -1.806 6.617 -9.388 1.00 0.00 C +ATOM 1239 C VAL A 81 -1.746 5.717 -10.636 1.00 0.00 C +ATOM 1240 O VAL A 81 -2.687 5.721 -11.430 1.00 0.00 O +ATOM 1241 CB VAL A 81 -3.114 6.354 -8.628 1.00 0.00 C +ATOM 1242 CG1 VAL A 81 -3.010 5.032 -7.860 1.00 0.00 C +ATOM 1243 CG2 VAL A 81 -3.382 7.494 -7.641 1.00 0.00 C +ATOM 1244 H VAL A 81 -2.501 8.610 -9.603 1.00 0.00 H +ATOM 1245 HA VAL A 81 -0.984 6.403 -8.732 1.00 0.00 H +ATOM 1246 HB VAL A 81 -3.924 6.293 -9.330 1.00 0.00 H +ATOM 1247 HG11 VAL A 81 -2.743 4.239 -8.542 1.00 0.00 H +ATOM 1248 HG12 VAL A 81 -3.961 4.808 -7.398 1.00 0.00 H +ATOM 1249 HG13 VAL A 81 -2.252 5.120 -7.096 1.00 0.00 H +ATOM 1250 HG21 VAL A 81 -3.709 8.369 -8.181 1.00 0.00 H +ATOM 1251 HG22 VAL A 81 -2.480 7.723 -7.100 1.00 0.00 H +ATOM 1252 HG23 VAL A 81 -4.153 7.196 -6.943 1.00 0.00 H +ATOM 1253 N PRO A 82 -0.679 4.963 -10.856 1.00 0.00 N +ATOM 1254 CA PRO A 82 -0.569 4.087 -12.071 1.00 0.00 C +ATOM 1255 C PRO A 82 -1.745 3.124 -12.263 1.00 0.00 C +ATOM 1256 O PRO A 82 -2.309 3.021 -13.352 1.00 0.00 O +ATOM 1257 CB PRO A 82 0.721 3.284 -11.826 1.00 0.00 C +ATOM 1258 CG PRO A 82 1.535 4.116 -10.893 1.00 0.00 C +ATOM 1259 CD PRO A 82 0.530 4.847 -10.002 1.00 0.00 C +ATOM 1260 HA PRO A 82 -0.444 4.695 -12.952 1.00 0.00 H +ATOM 1261 HB2 PRO A 82 0.493 2.327 -11.370 1.00 0.00 H +ATOM 1262 HB3 PRO A 82 1.248 3.132 -12.747 1.00 0.00 H +ATOM 1263 HG2 PRO A 82 2.183 3.485 -10.296 1.00 0.00 H +ATOM 1264 HG3 PRO A 82 2.121 4.835 -11.446 1.00 0.00 H +ATOM 1265 HD2 PRO A 82 0.318 4.264 -9.112 1.00 0.00 H +ATOM 1266 HD3 PRO A 82 0.908 5.819 -9.738 1.00 0.00 H +ATOM 1267 N PHE A 83 -2.063 2.390 -11.210 1.00 0.00 N +ATOM 1268 CA PHE A 83 -3.127 1.389 -11.272 1.00 0.00 C +ATOM 1269 C PHE A 83 -4.476 1.998 -11.635 1.00 0.00 C +ATOM 1270 O PHE A 83 -5.192 1.463 -12.483 1.00 0.00 O +ATOM 1271 CB PHE A 83 -3.252 0.673 -9.925 1.00 0.00 C +ATOM 1272 CG PHE A 83 -1.880 0.520 -9.312 1.00 0.00 C +ATOM 1273 CD1 PHE A 83 -0.847 -0.077 -10.046 1.00 0.00 C +ATOM 1274 CD2 PHE A 83 -1.643 0.977 -8.011 1.00 0.00 C +ATOM 1275 CE1 PHE A 83 0.425 -0.214 -9.478 1.00 0.00 C +ATOM 1276 CE2 PHE A 83 -0.373 0.837 -7.442 1.00 0.00 C +ATOM 1277 CZ PHE A 83 0.661 0.241 -8.177 1.00 0.00 C +ATOM 1278 H PHE A 83 -1.542 2.492 -10.389 1.00 0.00 H +ATOM 1279 HA PHE A 83 -2.865 0.660 -12.022 1.00 0.00 H +ATOM 1280 HB2 PHE A 83 -3.885 1.248 -9.262 1.00 0.00 H +ATOM 1281 HB3 PHE A 83 -3.688 -0.305 -10.076 1.00 0.00 H +ATOM 1282 HD1 PHE A 83 -1.032 -0.428 -11.050 1.00 0.00 H +ATOM 1283 HD2 PHE A 83 -2.442 1.441 -7.447 1.00 0.00 H +ATOM 1284 HE1 PHE A 83 1.222 -0.674 -10.043 1.00 0.00 H +ATOM 1285 HE2 PHE A 83 -0.191 1.186 -6.438 1.00 0.00 H +ATOM 1286 HZ PHE A 83 1.643 0.137 -7.740 1.00 0.00 H +ATOM 1287 N CYS A 84 -4.835 3.098 -10.989 1.00 0.00 N +ATOM 1288 CA CYS A 84 -6.120 3.721 -11.271 1.00 0.00 C +ATOM 1289 C CYS A 84 -6.261 3.946 -12.767 1.00 0.00 C +ATOM 1290 O CYS A 84 -7.299 3.659 -13.352 1.00 0.00 O +ATOM 1291 CB CYS A 84 -6.267 5.045 -10.506 1.00 0.00 C +ATOM 1292 SG CYS A 84 -5.526 6.411 -11.444 1.00 0.00 S +ATOM 1293 H CYS A 84 -4.240 3.483 -10.312 1.00 0.00 H +ATOM 1294 HA CYS A 84 -6.900 3.046 -10.950 1.00 0.00 H +ATOM 1295 HB2 CYS A 84 -7.316 5.254 -10.351 1.00 0.00 H +ATOM 1296 HB3 CYS A 84 -5.779 4.955 -9.547 1.00 0.00 H +ATOM 1297 HG CYS A 84 -5.508 6.162 -12.371 1.00 0.00 H +ATOM 1298 N LEU A 85 -5.201 4.436 -13.386 1.00 0.00 N +ATOM 1299 CA LEU A 85 -5.226 4.667 -14.819 1.00 0.00 C +ATOM 1300 C LEU A 85 -5.420 3.333 -15.544 1.00 0.00 C +ATOM 1301 O LEU A 85 -6.138 3.244 -16.530 1.00 0.00 O +ATOM 1302 CB LEU A 85 -3.905 5.315 -15.273 1.00 0.00 C +ATOM 1303 CG LEU A 85 -3.880 6.819 -14.916 1.00 0.00 C +ATOM 1304 CD1 LEU A 85 -2.432 7.340 -14.965 1.00 0.00 C +ATOM 1305 CD2 LEU A 85 -4.727 7.628 -15.916 1.00 0.00 C +ATOM 1306 H LEU A 85 -4.388 4.632 -12.875 1.00 0.00 H +ATOM 1307 HA LEU A 85 -6.048 5.318 -15.059 1.00 0.00 H +ATOM 1308 HB2 LEU A 85 -3.084 4.816 -14.780 1.00 0.00 H +ATOM 1309 HB3 LEU A 85 -3.799 5.196 -16.342 1.00 0.00 H +ATOM 1310 HG LEU A 85 -4.274 6.956 -13.918 1.00 0.00 H +ATOM 1311 HD11 LEU A 85 -2.437 8.418 -15.051 1.00 0.00 H +ATOM 1312 HD12 LEU A 85 -1.921 6.919 -15.818 1.00 0.00 H +ATOM 1313 HD13 LEU A 85 -1.915 7.058 -14.059 1.00 0.00 H +ATOM 1314 HD21 LEU A 85 -4.497 8.680 -15.810 1.00 0.00 H +ATOM 1315 HD22 LEU A 85 -5.774 7.473 -15.719 1.00 0.00 H +ATOM 1316 HD23 LEU A 85 -4.498 7.317 -16.924 1.00 0.00 H +ATOM 1317 N ASN A 86 -4.768 2.301 -15.048 1.00 0.00 N +ATOM 1318 CA ASN A 86 -4.855 0.987 -15.662 1.00 0.00 C +ATOM 1319 C ASN A 86 -6.241 0.375 -15.510 1.00 0.00 C +ATOM 1320 O ASN A 86 -6.643 -0.455 -16.315 1.00 0.00 O +ATOM 1321 CB ASN A 86 -3.825 0.062 -15.033 1.00 0.00 C +ATOM 1322 CG ASN A 86 -2.420 0.530 -15.392 1.00 0.00 C +ATOM 1323 OD1 ASN A 86 -2.233 1.247 -16.376 1.00 0.00 O +ATOM 1324 ND2 ASN A 86 -1.415 0.168 -14.644 1.00 0.00 N +ATOM 1325 H ASN A 86 -4.219 2.422 -14.258 1.00 0.00 H +ATOM 1326 HA ASN A 86 -4.633 1.083 -16.712 1.00 0.00 H +ATOM 1327 HB2 ASN A 86 -3.947 0.068 -13.964 1.00 0.00 H +ATOM 1328 HB3 ASN A 86 -3.972 -0.938 -15.405 1.00 0.00 H +ATOM 1329 HD21 ASN A 86 -1.570 -0.398 -13.860 1.00 0.00 H +ATOM 1330 HD22 ASN A 86 -0.509 0.464 -14.864 1.00 0.00 H +ATOM 1331 N ILE A 87 -6.958 0.750 -14.458 1.00 0.00 N +ATOM 1332 CA ILE A 87 -8.293 0.201 -14.217 1.00 0.00 C +ATOM 1333 C ILE A 87 -9.398 1.155 -14.677 1.00 0.00 C +ATOM 1334 O ILE A 87 -10.368 0.737 -15.310 1.00 0.00 O +ATOM 1335 CB ILE A 87 -8.450 -0.124 -12.732 1.00 0.00 C +ATOM 1336 CG1 ILE A 87 -7.477 -1.252 -12.378 1.00 0.00 C +ATOM 1337 CG2 ILE A 87 -9.882 -0.577 -12.449 1.00 0.00 C +ATOM 1338 CD1 ILE A 87 -7.403 -1.415 -10.862 1.00 0.00 C +ATOM 1339 H ILE A 87 -6.586 1.401 -13.830 1.00 0.00 H +ATOM 1340 HA ILE A 87 -8.398 -0.722 -14.773 1.00 0.00 H +ATOM 1341 HB ILE A 87 -8.221 0.752 -12.143 1.00 0.00 H +ATOM 1342 HG12 ILE A 87 -7.821 -2.174 -12.824 1.00 0.00 H +ATOM 1343 HG13 ILE A 87 -6.496 -1.014 -12.761 1.00 0.00 H +ATOM 1344 HG21 ILE A 87 -10.184 -1.301 -13.193 1.00 0.00 H +ATOM 1345 HG22 ILE A 87 -10.544 0.275 -12.488 1.00 0.00 H +ATOM 1346 HG23 ILE A 87 -9.931 -1.027 -11.468 1.00 0.00 H +ATOM 1347 HD11 ILE A 87 -8.400 -1.535 -10.465 1.00 0.00 H +ATOM 1348 HD12 ILE A 87 -6.944 -0.540 -10.430 1.00 0.00 H +ATOM 1349 HD13 ILE A 87 -6.812 -2.287 -10.622 1.00 0.00 H +ATOM 1350 N LYS A 88 -9.256 2.435 -14.328 1.00 0.00 N +ATOM 1351 CA LYS A 88 -10.271 3.443 -14.686 1.00 0.00 C +ATOM 1352 C LYS A 88 -10.083 4.005 -16.100 1.00 0.00 C +ATOM 1353 O LYS A 88 -11.069 4.258 -16.794 1.00 0.00 O +ATOM 1354 CB LYS A 88 -10.299 4.593 -13.651 1.00 0.00 C +ATOM 1355 CG LYS A 88 -11.065 4.180 -12.373 1.00 0.00 C +ATOM 1356 CD LYS A 88 -12.583 4.141 -12.632 1.00 0.00 C +ATOM 1357 CE LYS A 88 -13.328 4.121 -11.295 1.00 0.00 C +ATOM 1358 NZ LYS A 88 -14.786 3.968 -11.552 1.00 0.00 N +ATOM 1359 H LYS A 88 -8.465 2.701 -13.817 1.00 0.00 H +ATOM 1360 HA LYS A 88 -11.230 2.959 -14.668 1.00 0.00 H +ATOM 1361 HB2 LYS A 88 -9.287 4.850 -13.381 1.00 0.00 H +ATOM 1362 HB3 LYS A 88 -10.777 5.458 -14.085 1.00 0.00 H +ATOM 1363 HG2 LYS A 88 -10.736 3.202 -12.057 1.00 0.00 H +ATOM 1364 HG3 LYS A 88 -10.862 4.896 -11.588 1.00 0.00 H +ATOM 1365 HD2 LYS A 88 -12.879 5.015 -13.194 1.00 0.00 H +ATOM 1366 HD3 LYS A 88 -12.842 3.254 -13.184 1.00 0.00 H +ATOM 1367 HE2 LYS A 88 -12.976 3.293 -10.697 1.00 0.00 H +ATOM 1368 HE3 LYS A 88 -13.149 5.047 -10.770 1.00 0.00 H +ATOM 1369 HZ1 LYS A 88 -14.984 4.163 -12.554 1.00 0.00 H +ATOM 1370 HZ2 LYS A 88 -15.316 4.637 -10.956 1.00 0.00 H +ATOM 1371 HZ3 LYS A 88 -15.078 2.997 -11.327 1.00 0.00 H +ATOM 1372 N GLN A 89 -8.840 4.210 -16.541 1.00 0.00 N +ATOM 1373 CA GLN A 89 -8.623 4.749 -17.890 1.00 0.00 C +ATOM 1374 C GLN A 89 -8.798 3.650 -18.932 1.00 0.00 C +ATOM 1375 O GLN A 89 -9.273 3.907 -20.038 1.00 0.00 O +ATOM 1376 CB GLN A 89 -7.227 5.374 -18.027 1.00 0.00 C +ATOM 1377 CG GLN A 89 -7.199 6.335 -19.216 1.00 0.00 C +ATOM 1378 CD GLN A 89 -5.795 6.906 -19.367 1.00 0.00 C +ATOM 1379 OE1 GLN A 89 -4.815 6.171 -19.268 1.00 0.00 O +ATOM 1380 NE2 GLN A 89 -5.638 8.180 -19.593 1.00 0.00 N +ATOM 1381 H GLN A 89 -8.074 3.996 -15.969 1.00 0.00 H +ATOM 1382 HA GLN A 89 -9.367 5.511 -18.079 1.00 0.00 H +ATOM 1383 HB2 GLN A 89 -6.979 5.910 -17.124 1.00 0.00 H +ATOM 1384 HB3 GLN A 89 -6.499 4.600 -18.199 1.00 0.00 H +ATOM 1385 HG2 GLN A 89 -7.471 5.803 -20.117 1.00 0.00 H +ATOM 1386 HG3 GLN A 89 -7.898 7.140 -19.047 1.00 0.00 H +ATOM 1387 HE21 GLN A 89 -6.420 8.766 -19.666 1.00 0.00 H +ATOM 1388 HE22 GLN A 89 -4.737 8.551 -19.689 1.00 0.00 H +ATOM 1389 N LYS A 90 -8.419 2.419 -18.581 1.00 0.00 N +ATOM 1390 CA LYS A 90 -8.557 1.301 -19.519 1.00 0.00 C +ATOM 1391 C LYS A 90 -9.874 0.569 -19.280 1.00 0.00 C +ATOM 1392 O LYS A 90 -10.414 0.704 -18.194 1.00 0.00 O +ATOM 1393 CB LYS A 90 -7.408 0.316 -19.343 1.00 0.00 C +ATOM 1394 CG LYS A 90 -6.075 1.012 -19.636 1.00 0.00 C +ATOM 1395 CD LYS A 90 -4.930 0.005 -19.494 1.00 0.00 C +ATOM 1396 CE LYS A 90 -3.596 0.706 -19.763 1.00 0.00 C +ATOM 1397 NZ LYS A 90 -2.481 -0.274 -19.628 1.00 0.00 N +ATOM 1398 OXT LYS A 90 -10.319 -0.120 -20.183 1.00 0.00 O +ATOM 1399 H LYS A 90 -8.047 2.259 -17.676 1.00 0.00 H +ATOM 1400 HA LYS A 90 -8.547 1.677 -20.534 1.00 0.00 H +ATOM 1401 HB2 LYS A 90 -7.413 -0.046 -18.335 1.00 0.00 H +ATOM 1402 HB3 LYS A 90 -7.536 -0.511 -20.022 1.00 0.00 H +ATOM 1403 HG2 LYS A 90 -6.088 1.406 -20.642 1.00 0.00 H +ATOM 1404 HG3 LYS A 90 -5.930 1.818 -18.933 1.00 0.00 H +ATOM 1405 HD2 LYS A 90 -4.930 -0.403 -18.493 1.00 0.00 H +ATOM 1406 HD3 LYS A 90 -5.063 -0.795 -20.208 1.00 0.00 H +ATOM 1407 HE2 LYS A 90 -3.599 1.114 -20.762 1.00 0.00 H +ATOM 1408 HE3 LYS A 90 -3.461 1.504 -19.048 1.00 0.00 H +ATOM 1409 HZ1 LYS A 90 -1.594 0.233 -19.437 1.00 0.00 H +ATOM 1410 HZ2 LYS A 90 -2.388 -0.816 -20.512 1.00 0.00 H +ATOM 1411 HZ3 LYS A 90 -2.683 -0.925 -18.843 1.00 0.00 H +TER 1412 LYS A 90 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_PKID_1KDXB_1KDXB/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_PKID_1KDXB_1KDXB/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..67e12735e7b3046373266e1daa2e34aa27152805 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_PKID_1KDXB_1KDXB/state_a.pdb @@ -0,0 +1,462 @@ +MODEL 1 +ATOM 1 N THR B 119 -8.687 1.533 -18.744 1.00 0.00 N +ATOM 2 CA THR B 119 -7.965 2.639 -19.356 1.00 0.00 C +ATOM 3 C THR B 119 -8.019 3.845 -18.420 1.00 0.00 C +ATOM 4 O THR B 119 -6.997 4.284 -17.897 1.00 0.00 O +ATOM 5 CB THR B 119 -8.505 2.925 -20.767 1.00 0.00 C +ATOM 6 OG1 THR B 119 -8.378 1.761 -21.560 1.00 0.00 O +ATOM 7 CG2 THR B 119 -7.730 4.054 -21.459 1.00 0.00 C +ATOM 8 H THR B 119 -8.770 1.486 -17.733 1.00 0.00 H +ATOM 9 HA THR B 119 -6.923 2.341 -19.448 1.00 0.00 H +ATOM 10 HB THR B 119 -9.561 3.194 -20.704 1.00 0.00 H +ATOM 11 HG1 THR B 119 -8.843 1.890 -22.390 1.00 0.00 H +ATOM 12 HG21 THR B 119 -6.672 3.795 -21.517 1.00 0.00 H +ATOM 13 HG22 THR B 119 -8.114 4.197 -22.469 1.00 0.00 H +ATOM 14 HG23 THR B 119 -7.842 4.990 -20.910 1.00 0.00 H +ATOM 15 N ASP B 120 -9.226 4.353 -18.163 1.00 0.00 N +ATOM 16 CA ASP B 120 -9.426 5.458 -17.228 1.00 0.00 C +ATOM 17 C ASP B 120 -8.975 5.013 -15.833 1.00 0.00 C +ATOM 18 O ASP B 120 -8.339 5.759 -15.096 1.00 0.00 O +ATOM 19 CB ASP B 120 -10.898 5.891 -17.247 1.00 0.00 C +ATOM 20 CG ASP B 120 -11.170 7.095 -16.347 1.00 0.00 C +ATOM 21 OD1 ASP B 120 -10.259 7.941 -16.223 1.00 0.00 O +ATOM 22 OD2 ASP B 120 -12.305 7.162 -15.829 1.00 0.00 O +ATOM 23 H ASP B 120 -10.019 3.910 -18.599 1.00 0.00 H +ATOM 24 HA ASP B 120 -8.797 6.292 -17.547 1.00 0.00 H +ATOM 25 HB2 ASP B 120 -11.173 6.170 -18.264 1.00 0.00 H +ATOM 26 HB3 ASP B 120 -11.530 5.062 -16.927 1.00 0.00 H +ATOM 27 N SER B 121 -9.248 3.746 -15.516 1.00 0.00 N +ATOM 28 CA SER B 121 -8.800 3.056 -14.320 1.00 0.00 C +ATOM 29 C SER B 121 -7.284 3.219 -14.201 1.00 0.00 C +ATOM 30 O SER B 121 -6.782 3.794 -13.237 1.00 0.00 O +ATOM 31 CB SER B 121 -9.182 1.582 -14.505 1.00 0.00 C +ATOM 32 OG SER B 121 -8.968 1.229 -15.867 1.00 0.00 O +ATOM 33 H SER B 121 -9.704 3.161 -16.203 1.00 0.00 H +ATOM 34 HA SER B 121 -9.279 3.459 -13.427 1.00 0.00 H +ATOM 35 HB2 SER B 121 -8.596 0.947 -13.835 1.00 0.00 H +ATOM 36 HB3 SER B 121 -10.241 1.443 -14.281 1.00 0.00 H +ATOM 37 HG SER B 121 -8.258 0.572 -15.899 1.00 0.00 H +ATOM 38 N GLN B 122 -6.572 2.703 -15.206 1.00 0.00 N +ATOM 39 CA GLN B 122 -5.125 2.756 -15.317 1.00 0.00 C +ATOM 40 C GLN B 122 -4.637 4.193 -15.142 1.00 0.00 C +ATOM 41 O GLN B 122 -3.751 4.424 -14.329 1.00 0.00 O +ATOM 42 CB GLN B 122 -4.658 2.173 -16.665 1.00 0.00 C +ATOM 43 CG GLN B 122 -4.254 0.689 -16.611 1.00 0.00 C +ATOM 44 CD GLN B 122 -5.424 -0.284 -16.483 1.00 0.00 C +ATOM 45 OE1 GLN B 122 -6.532 0.085 -16.108 1.00 0.00 O +ATOM 46 NE2 GLN B 122 -5.191 -1.558 -16.793 1.00 0.00 N +ATOM 47 H GLN B 122 -7.088 2.227 -15.936 1.00 0.00 H +ATOM 48 HA GLN B 122 -4.698 2.167 -14.505 1.00 0.00 H +ATOM 49 HB2 GLN B 122 -5.416 2.318 -17.434 1.00 0.00 H +ATOM 50 HB3 GLN B 122 -3.766 2.717 -16.972 1.00 0.00 H +ATOM 51 HG2 GLN B 122 -3.723 0.458 -17.534 1.00 0.00 H +ATOM 52 HG3 GLN B 122 -3.572 0.530 -15.774 1.00 0.00 H +ATOM 53 HE21 GLN B 122 -4.283 -1.862 -17.107 1.00 0.00 H +ATOM 54 HE22 GLN B 122 -5.956 -2.212 -16.724 1.00 0.00 H +ATOM 55 N LYS B 123 -5.195 5.151 -15.888 1.00 0.00 N +ATOM 56 CA LYS B 123 -4.794 6.550 -15.803 1.00 0.00 C +ATOM 57 C LYS B 123 -4.910 7.071 -14.367 1.00 0.00 C +ATOM 58 O LYS B 123 -3.922 7.513 -13.782 1.00 0.00 O +ATOM 59 CB LYS B 123 -5.642 7.401 -16.761 1.00 0.00 C +ATOM 60 CG LYS B 123 -5.371 7.099 -18.242 1.00 0.00 C +ATOM 61 CD LYS B 123 -4.112 7.823 -18.735 1.00 0.00 C +ATOM 62 CE LYS B 123 -3.761 7.444 -20.178 1.00 0.00 C +ATOM 63 NZ LYS B 123 -4.828 7.816 -21.126 1.00 0.00 N +ATOM 64 H LYS B 123 -5.928 4.893 -16.540 1.00 0.00 H +ATOM 65 HA LYS B 123 -3.745 6.624 -16.091 1.00 0.00 H +ATOM 66 HB2 LYS B 123 -6.696 7.213 -16.556 1.00 0.00 H +ATOM 67 HB3 LYS B 123 -5.451 8.460 -16.575 1.00 0.00 H +ATOM 68 HG2 LYS B 123 -5.262 6.026 -18.395 1.00 0.00 H +ATOM 69 HG3 LYS B 123 -6.233 7.445 -18.814 1.00 0.00 H +ATOM 70 HD2 LYS B 123 -4.269 8.902 -18.667 1.00 0.00 H +ATOM 71 HD3 LYS B 123 -3.265 7.557 -18.101 1.00 0.00 H +ATOM 72 HE2 LYS B 123 -2.845 7.963 -20.466 1.00 0.00 H +ATOM 73 HE3 LYS B 123 -3.583 6.370 -20.241 1.00 0.00 H +ATOM 74 HZ1 LYS B 123 -4.997 8.811 -21.073 1.00 0.00 H +ATOM 75 HZ2 LYS B 123 -4.545 7.575 -22.065 1.00 0.00 H +ATOM 76 HZ3 LYS B 123 -5.676 7.318 -20.898 1.00 0.00 H +ATOM 77 N ARG B 124 -6.116 7.010 -13.798 1.00 0.00 N +ATOM 78 CA ARG B 124 -6.382 7.470 -12.441 1.00 0.00 C +ATOM 79 C ARG B 124 -5.430 6.798 -11.458 1.00 0.00 C +ATOM 80 O ARG B 124 -4.726 7.485 -10.725 1.00 0.00 O +ATOM 81 CB ARG B 124 -7.857 7.243 -12.092 1.00 0.00 C +ATOM 82 CG ARG B 124 -8.752 8.154 -12.949 1.00 0.00 C +ATOM 83 CD ARG B 124 -10.243 7.882 -12.733 1.00 0.00 C +ATOM 84 NE ARG B 124 -10.591 6.497 -13.078 1.00 0.00 N +ATOM 85 CZ ARG B 124 -11.824 5.980 -12.975 1.00 0.00 C +ATOM 86 NH1 ARG B 124 -12.850 6.749 -12.595 1.00 0.00 N +ATOM 87 NH2 ARG B 124 -12.030 4.692 -13.260 1.00 0.00 N +ATOM 88 H ARG B 124 -6.881 6.602 -14.326 1.00 0.00 H +ATOM 89 HA ARG B 124 -6.193 8.538 -12.348 1.00 0.00 H +ATOM 90 HB2 ARG B 124 -8.104 6.193 -12.246 1.00 0.00 H +ATOM 91 HB3 ARG B 124 -8.012 7.490 -11.041 1.00 0.00 H +ATOM 92 HG2 ARG B 124 -8.547 9.193 -12.693 1.00 0.00 H +ATOM 93 HG3 ARG B 124 -8.534 8.021 -14.008 1.00 0.00 H +ATOM 94 HD2 ARG B 124 -10.498 8.078 -11.691 1.00 0.00 H +ATOM 95 HD3 ARG B 124 -10.811 8.557 -13.375 1.00 0.00 H +ATOM 96 HE ARG B 124 -9.837 5.921 -13.430 1.00 0.00 H +ATOM 97 HH11 ARG B 124 -12.683 7.721 -12.388 1.00 0.00 H +ATOM 98 HH12 ARG B 124 -13.782 6.377 -12.517 1.00 0.00 H +ATOM 99 HH21 ARG B 124 -11.257 4.116 -13.552 1.00 0.00 H +ATOM 100 HH22 ARG B 124 -12.949 4.286 -13.168 1.00 0.00 H +ATOM 101 N ARG B 125 -5.376 5.468 -11.452 1.00 0.00 N +ATOM 102 CA ARG B 125 -4.500 4.735 -10.555 1.00 0.00 C +ATOM 103 C ARG B 125 -3.041 5.169 -10.732 1.00 0.00 C +ATOM 104 O ARG B 125 -2.394 5.548 -9.761 1.00 0.00 O +ATOM 105 CB ARG B 125 -4.707 3.227 -10.752 1.00 0.00 C +ATOM 106 CG ARG B 125 -3.929 2.407 -9.712 1.00 0.00 C +ATOM 107 CD ARG B 125 -4.436 0.960 -9.659 1.00 0.00 C +ATOM 108 NE ARG B 125 -4.260 0.282 -10.949 1.00 0.00 N +ATOM 109 CZ ARG B 125 -4.690 -0.958 -11.226 1.00 0.00 C +ATOM 110 NH1 ARG B 125 -5.341 -1.680 -10.304 1.00 0.00 N +ATOM 111 NH2 ARG B 125 -4.456 -1.473 -12.438 1.00 0.00 N +ATOM 112 H ARG B 125 -5.958 4.950 -12.102 1.00 0.00 H +ATOM 113 HA ARG B 125 -4.802 4.983 -9.536 1.00 0.00 H +ATOM 114 HB2 ARG B 125 -5.770 3.017 -10.636 1.00 0.00 H +ATOM 115 HB3 ARG B 125 -4.402 2.941 -11.760 1.00 0.00 H +ATOM 116 HG2 ARG B 125 -2.864 2.417 -9.953 1.00 0.00 H +ATOM 117 HG3 ARG B 125 -4.063 2.853 -8.726 1.00 0.00 H +ATOM 118 HD2 ARG B 125 -3.872 0.420 -8.894 1.00 0.00 H +ATOM 119 HD3 ARG B 125 -5.494 0.962 -9.384 1.00 0.00 H +ATOM 120 HE ARG B 125 -3.764 0.794 -11.665 1.00 0.00 H +ATOM 121 HH11 ARG B 125 -5.517 -1.303 -9.380 1.00 0.00 H +ATOM 122 HH12 ARG B 125 -5.659 -2.616 -10.507 1.00 0.00 H +ATOM 123 HH21 ARG B 125 -3.948 -0.932 -13.122 1.00 0.00 H +ATOM 124 HH22 ARG B 125 -4.767 -2.404 -12.673 1.00 0.00 H +ATOM 125 N GLU B 126 -2.520 5.127 -11.957 1.00 0.00 N +ATOM 126 CA GLU B 126 -1.148 5.488 -12.293 1.00 0.00 C +ATOM 127 C GLU B 126 -0.790 6.896 -11.810 1.00 0.00 C +ATOM 128 O GLU B 126 0.274 7.100 -11.224 1.00 0.00 O +ATOM 129 CB GLU B 126 -0.952 5.353 -13.812 1.00 0.00 C +ATOM 130 CG GLU B 126 0.482 5.647 -14.268 1.00 0.00 C +ATOM 131 CD GLU B 126 0.640 5.383 -15.762 1.00 0.00 C +ATOM 132 OE1 GLU B 126 0.044 6.159 -16.541 1.00 0.00 O +ATOM 133 OE2 GLU B 126 1.342 4.405 -16.097 1.00 0.00 O +ATOM 134 H GLU B 126 -3.123 4.829 -12.714 1.00 0.00 H +ATOM 135 HA GLU B 126 -0.484 4.779 -11.799 1.00 0.00 H +ATOM 136 HB2 GLU B 126 -1.193 4.331 -14.105 1.00 0.00 H +ATOM 137 HB3 GLU B 126 -1.633 6.032 -14.331 1.00 0.00 H +ATOM 138 HG2 GLU B 126 0.727 6.692 -14.084 1.00 0.00 H +ATOM 139 HG3 GLU B 126 1.178 5.013 -13.717 1.00 0.00 H +ATOM 140 N ILE B 127 -1.653 7.877 -12.076 1.00 0.00 N +ATOM 141 CA ILE B 127 -1.396 9.256 -11.684 1.00 0.00 C +ATOM 142 C ILE B 127 -1.499 9.383 -10.161 1.00 0.00 C +ATOM 143 O ILE B 127 -0.588 9.893 -9.513 1.00 0.00 O +ATOM 144 CB ILE B 127 -2.345 10.211 -12.434 1.00 0.00 C +ATOM 145 CG1 ILE B 127 -2.074 10.148 -13.951 1.00 0.00 C +ATOM 146 CG2 ILE B 127 -2.159 11.659 -11.948 1.00 0.00 C +ATOM 147 CD1 ILE B 127 -3.199 10.777 -14.782 1.00 0.00 C +ATOM 148 H ILE B 127 -2.508 7.663 -12.584 1.00 0.00 H +ATOM 149 HA ILE B 127 -0.373 9.516 -11.964 1.00 0.00 H +ATOM 150 HB ILE B 127 -3.374 9.906 -12.240 1.00 0.00 H +ATOM 151 HG12 ILE B 127 -1.135 10.656 -14.178 1.00 0.00 H +ATOM 152 HG13 ILE B 127 -1.979 9.115 -14.278 1.00 0.00 H +ATOM 153 HG21 ILE B 127 -2.366 11.744 -10.882 1.00 0.00 H +ATOM 154 HG22 ILE B 127 -1.134 11.984 -12.133 1.00 0.00 H +ATOM 155 HG23 ILE B 127 -2.844 12.327 -12.468 1.00 0.00 H +ATOM 156 HD11 ILE B 127 -4.154 10.315 -14.525 1.00 0.00 H +ATOM 157 HD12 ILE B 127 -3.258 11.851 -14.612 1.00 0.00 H +ATOM 158 HD13 ILE B 127 -2.998 10.606 -15.841 1.00 0.00 H +ATOM 159 N LEU B 128 -2.601 8.922 -9.568 1.00 0.00 N +ATOM 160 CA LEU B 128 -2.822 9.039 -8.131 1.00 0.00 C +ATOM 161 C LEU B 128 -1.768 8.260 -7.336 1.00 0.00 C +ATOM 162 O LEU B 128 -1.387 8.686 -6.251 1.00 0.00 O +ATOM 163 CB LEU B 128 -4.272 8.681 -7.784 1.00 0.00 C +ATOM 164 CG LEU B 128 -5.269 9.824 -8.085 1.00 0.00 C +ATOM 165 CD1 LEU B 128 -5.053 10.583 -9.403 1.00 0.00 C +ATOM 166 CD2 LEU B 128 -6.711 9.305 -8.080 1.00 0.00 C +ATOM 167 H LEU B 128 -3.325 8.486 -10.131 1.00 0.00 H +ATOM 168 HA LEU B 128 -2.680 10.083 -7.848 1.00 0.00 H +ATOM 169 HB2 LEU B 128 -4.560 7.754 -8.279 1.00 0.00 H +ATOM 170 HB3 LEU B 128 -4.311 8.508 -6.712 1.00 0.00 H +ATOM 171 HG LEU B 128 -5.166 10.552 -7.284 1.00 0.00 H +ATOM 172 HD11 LEU B 128 -5.113 9.908 -10.255 1.00 0.00 H +ATOM 173 HD12 LEU B 128 -5.821 11.348 -9.513 1.00 0.00 H +ATOM 174 HD13 LEU B 128 -4.089 11.087 -9.398 1.00 0.00 H +ATOM 175 HD21 LEU B 128 -6.822 8.507 -8.816 1.00 0.00 H +ATOM 176 HD22 LEU B 128 -6.971 8.937 -7.093 1.00 0.00 H +ATOM 177 HD23 LEU B 128 -7.400 10.110 -8.332 1.00 0.00 H +ATOM 178 N SER B 129 -1.221 7.168 -7.878 1.00 0.00 N +ATOM 179 CA SER B 129 -0.113 6.452 -7.244 1.00 0.00 C +ATOM 180 C SER B 129 1.123 7.359 -7.095 1.00 0.00 C +ATOM 181 O SER B 129 2.004 7.076 -6.286 1.00 0.00 O +ATOM 182 CB SER B 129 0.241 5.197 -8.046 1.00 0.00 C +ATOM 183 OG SER B 129 -0.821 4.265 -7.984 1.00 0.00 O +ATOM 184 H SER B 129 -1.556 6.850 -8.782 1.00 0.00 H +ATOM 185 HA SER B 129 -0.418 6.138 -6.245 1.00 0.00 H +ATOM 186 HB2 SER B 129 0.454 5.458 -9.082 1.00 0.00 H +ATOM 187 HB3 SER B 129 1.135 4.740 -7.623 1.00 0.00 H +ATOM 188 HG SER B 129 -1.568 4.636 -8.468 1.00 0.00 H +ATOM 189 N ARG B 130 1.190 8.460 -7.849 1.00 0.00 N +ATOM 190 CA ARG B 130 2.264 9.443 -7.788 1.00 0.00 C +ATOM 191 C ARG B 130 1.956 10.515 -6.730 1.00 0.00 C +ATOM 192 O ARG B 130 2.729 11.457 -6.568 1.00 0.00 O +ATOM 193 CB ARG B 130 2.391 10.061 -9.189 1.00 0.00 C +ATOM 194 CG ARG B 130 3.837 10.322 -9.639 1.00 0.00 C +ATOM 195 CD ARG B 130 3.860 10.669 -11.137 1.00 0.00 C +ATOM 196 NE ARG B 130 3.197 9.614 -11.921 1.00 0.00 N +ATOM 197 CZ ARG B 130 3.688 8.383 -12.116 1.00 0.00 C +ATOM 198 NH1 ARG B 130 5.008 8.169 -12.119 1.00 0.00 N +ATOM 199 NH2 ARG B 130 2.842 7.359 -12.282 1.00 0.00 N +ATOM 200 H ARG B 130 0.435 8.671 -8.493 1.00 0.00 H +ATOM 201 HA ARG B 130 3.198 8.943 -7.525 1.00 0.00 H +ATOM 202 HB2 ARG B 130 1.937 9.358 -9.886 1.00 0.00 H +ATOM 203 HB3 ARG B 130 1.820 10.990 -9.242 1.00 0.00 H +ATOM 204 HG2 ARG B 130 4.259 11.141 -9.055 1.00 0.00 H +ATOM 205 HG3 ARG B 130 4.437 9.426 -9.477 1.00 0.00 H +ATOM 206 HD2 ARG B 130 3.314 11.602 -11.287 1.00 0.00 H +ATOM 207 HD3 ARG B 130 4.886 10.827 -11.471 1.00 0.00 H +ATOM 208 HE ARG B 130 2.211 9.755 -12.090 1.00 0.00 H +ATOM 209 HH11 ARG B 130 5.633 8.947 -11.975 1.00 0.00 H +ATOM 210 HH12 ARG B 130 5.387 7.247 -12.271 1.00 0.00 H +ATOM 211 HH21 ARG B 130 1.856 7.470 -12.051 1.00 0.00 H +ATOM 212 HH22 ARG B 130 3.190 6.433 -12.474 1.00 0.00 H +ATOM 213 N ARG B 131 0.826 10.385 -6.025 1.00 0.00 N +ATOM 214 CA ARG B 131 0.324 11.296 -5.011 1.00 0.00 C +ATOM 215 C ARG B 131 -0.146 10.424 -3.839 1.00 0.00 C +ATOM 216 O ARG B 131 -1.331 10.105 -3.724 1.00 0.00 O +ATOM 217 CB ARG B 131 -0.799 12.135 -5.624 1.00 0.00 C +ATOM 218 CG ARG B 131 -0.234 13.059 -6.716 1.00 0.00 C +ATOM 219 CD ARG B 131 -1.163 14.234 -7.031 1.00 0.00 C +ATOM 220 NE ARG B 131 -1.356 15.082 -5.843 1.00 0.00 N +ATOM 221 CZ ARG B 131 -1.135 16.395 -5.706 1.00 0.00 C +ATOM 222 NH1 ARG B 131 -0.597 17.125 -6.689 1.00 0.00 N +ATOM 223 NH2 ARG B 131 -1.469 16.969 -4.547 1.00 0.00 N +ATOM 224 H ARG B 131 0.231 9.580 -6.190 1.00 0.00 H +ATOM 225 HA ARG B 131 1.091 11.993 -4.682 1.00 0.00 H +ATOM 226 HB2 ARG B 131 -1.583 11.498 -6.037 1.00 0.00 H +ATOM 227 HB3 ARG B 131 -1.228 12.718 -4.820 1.00 0.00 H +ATOM 228 HG2 ARG B 131 0.723 13.471 -6.395 1.00 0.00 H +ATOM 229 HG3 ARG B 131 -0.072 12.476 -7.625 1.00 0.00 H +ATOM 230 HD2 ARG B 131 -0.740 14.788 -7.867 1.00 0.00 H +ATOM 231 HD3 ARG B 131 -2.132 13.846 -7.347 1.00 0.00 H +ATOM 232 HE ARG B 131 -1.744 14.618 -5.031 1.00 0.00 H +ATOM 233 HH11 ARG B 131 -0.340 16.687 -7.559 1.00 0.00 H +ATOM 234 HH12 ARG B 131 -0.438 18.114 -6.572 1.00 0.00 H +ATOM 235 HH21 ARG B 131 -1.896 16.400 -3.827 1.00 0.00 H +ATOM 236 HH22 ARG B 131 -1.327 17.954 -4.386 1.00 0.00 H +ATOM 237 N PRO B 132 0.788 9.986 -2.977 1.00 0.00 N +ATOM 238 CA PRO B 132 0.527 9.018 -1.924 1.00 0.00 C +ATOM 239 C PRO B 132 -0.590 9.342 -0.930 1.00 0.00 C +ATOM 240 O PRO B 132 -0.994 8.438 -0.200 1.00 0.00 O +ATOM 241 CB PRO B 132 1.878 8.713 -1.276 1.00 0.00 C +ATOM 242 CG PRO B 132 2.732 9.927 -1.628 1.00 0.00 C +ATOM 243 CD PRO B 132 2.205 10.318 -3.005 1.00 0.00 C +ATOM 244 HA PRO B 132 0.204 8.101 -2.421 1.00 0.00 H +ATOM 245 HB2 PRO B 132 1.809 8.545 -0.201 1.00 0.00 H +ATOM 246 HB3 PRO B 132 2.303 7.842 -1.776 1.00 0.00 H +ATOM 247 HG2 PRO B 132 2.526 10.731 -0.919 1.00 0.00 H +ATOM 248 HG3 PRO B 132 3.800 9.699 -1.640 1.00 0.00 H +ATOM 249 HD2 PRO B 132 2.402 11.379 -3.150 1.00 0.00 H +ATOM 250 HD3 PRO B 132 2.702 9.733 -3.780 1.00 0.00 H +ATOM 251 N TYR B 134 -3.500 9.431 -1.781 1.00 0.00 N +ATOM 252 CA TYR B 134 -4.394 8.392 -2.284 1.00 0.00 C +ATOM 253 C TYR B 134 -4.119 7.083 -1.532 1.00 0.00 C +ATOM 254 O TYR B 134 -5.045 6.464 -1.012 1.00 0.00 O +ATOM 255 CB TYR B 134 -4.123 8.229 -3.787 1.00 0.00 C +ATOM 256 CG TYR B 134 -4.793 7.054 -4.480 1.00 0.00 C +ATOM 257 CD1 TYR B 134 -6.029 7.238 -5.128 1.00 0.00 C +ATOM 258 CD2 TYR B 134 -4.044 5.889 -4.737 1.00 0.00 C +ATOM 259 CE1 TYR B 134 -6.452 6.320 -6.108 1.00 0.00 C +ATOM 260 CE2 TYR B 134 -4.526 4.918 -5.631 1.00 0.00 C +ATOM 261 CZ TYR B 134 -5.728 5.139 -6.322 1.00 0.00 C +ATOM 262 OH TYR B 134 -6.177 4.227 -7.231 1.00 0.00 O +ATOM 263 H TYR B 134 -2.821 9.829 -2.428 1.00 0.00 H +ATOM 264 HA TYR B 134 -5.441 8.677 -2.111 1.00 0.00 H +ATOM 265 HB2 TYR B 134 -4.417 9.148 -4.296 1.00 0.00 H +ATOM 266 HB3 TYR B 134 -3.047 8.121 -3.933 1.00 0.00 H +ATOM 267 HD1 TYR B 134 -6.572 8.161 -4.990 1.00 0.00 H +ATOM 268 HD2 TYR B 134 -3.067 5.760 -4.293 1.00 0.00 H +ATOM 269 HE1 TYR B 134 -7.275 6.560 -6.767 1.00 0.00 H +ATOM 270 HE2 TYR B 134 -3.929 4.043 -5.837 1.00 0.00 H +ATOM 271 HH TYR B 134 -5.651 3.427 -7.243 1.00 0.00 H +ATOM 272 N ARG B 135 -2.850 6.666 -1.437 1.00 0.00 N +ATOM 273 CA ARG B 135 -2.491 5.457 -0.703 1.00 0.00 C +ATOM 274 C ARG B 135 -2.908 5.580 0.761 1.00 0.00 C +ATOM 275 O ARG B 135 -3.441 4.629 1.326 1.00 0.00 O +ATOM 276 CB ARG B 135 -0.996 5.136 -0.785 1.00 0.00 C +ATOM 277 CG ARG B 135 -0.574 4.633 -2.166 1.00 0.00 C +ATOM 278 CD ARG B 135 0.802 3.966 -2.040 1.00 0.00 C +ATOM 279 NE ARG B 135 1.321 3.528 -3.340 1.00 0.00 N +ATOM 280 CZ ARG B 135 1.872 4.347 -4.245 1.00 0.00 C +ATOM 281 NH1 ARG B 135 1.933 5.660 -4.014 1.00 0.00 N +ATOM 282 NH2 ARG B 135 2.360 3.849 -5.385 1.00 0.00 N +ATOM 283 H ARG B 135 -2.118 7.241 -1.827 1.00 0.00 H +ATOM 284 HA ARG B 135 -3.040 4.620 -1.137 1.00 0.00 H +ATOM 285 HB2 ARG B 135 -0.396 6.000 -0.501 1.00 0.00 H +ATOM 286 HB3 ARG B 135 -0.802 4.339 -0.064 1.00 0.00 H +ATOM 287 HG2 ARG B 135 -1.288 3.889 -2.524 1.00 0.00 H +ATOM 288 HG3 ARG B 135 -0.555 5.467 -2.869 1.00 0.00 H +ATOM 289 HD2 ARG B 135 1.513 4.643 -1.564 1.00 0.00 H +ATOM 290 HD3 ARG B 135 0.709 3.082 -1.407 1.00 0.00 H +ATOM 291 HE ARG B 135 1.256 2.540 -3.546 1.00 0.00 H +ATOM 292 HH11 ARG B 135 1.576 6.034 -3.151 1.00 0.00 H +ATOM 293 HH12 ARG B 135 2.231 6.296 -4.751 1.00 0.00 H +ATOM 294 HH21 ARG B 135 2.322 2.856 -5.559 1.00 0.00 H +ATOM 295 HH22 ARG B 135 2.801 4.462 -6.054 1.00 0.00 H +ATOM 296 N LYS B 136 -2.677 6.742 1.379 1.00 0.00 N +ATOM 297 CA LYS B 136 -3.091 6.943 2.761 1.00 0.00 C +ATOM 298 C LYS B 136 -4.605 6.740 2.870 1.00 0.00 C +ATOM 299 O LYS B 136 -5.066 6.066 3.789 1.00 0.00 O +ATOM 300 CB LYS B 136 -2.633 8.303 3.302 1.00 0.00 C +ATOM 301 CG LYS B 136 -1.099 8.385 3.332 1.00 0.00 C +ATOM 302 CD LYS B 136 -0.543 9.711 3.877 1.00 0.00 C +ATOM 303 CE LYS B 136 -0.729 9.897 5.391 1.00 0.00 C +ATOM 304 NZ LYS B 136 -2.027 10.504 5.736 1.00 0.00 N +ATOM 305 H LYS B 136 -2.230 7.496 0.865 1.00 0.00 H +ATOM 306 HA LYS B 136 -2.617 6.171 3.371 1.00 0.00 H +ATOM 307 HB2 LYS B 136 -3.046 9.112 2.700 1.00 0.00 H +ATOM 308 HB3 LYS B 136 -3.018 8.384 4.316 1.00 0.00 H +ATOM 309 HG2 LYS B 136 -0.706 7.558 3.927 1.00 0.00 H +ATOM 310 HG3 LYS B 136 -0.723 8.268 2.316 1.00 0.00 H +ATOM 311 HD2 LYS B 136 0.531 9.700 3.683 1.00 0.00 H +ATOM 312 HD3 LYS B 136 -0.969 10.554 3.331 1.00 0.00 H +ATOM 313 HE2 LYS B 136 -0.617 8.942 5.906 1.00 0.00 H +ATOM 314 HE3 LYS B 136 0.050 10.571 5.753 1.00 0.00 H +ATOM 315 HZ1 LYS B 136 -2.112 11.403 5.284 1.00 0.00 H +ATOM 316 HZ2 LYS B 136 -2.784 9.908 5.439 1.00 0.00 H +ATOM 317 HZ3 LYS B 136 -2.081 10.630 6.737 1.00 0.00 H +ATOM 318 N ILE B 137 -5.379 7.275 1.920 1.00 0.00 N +ATOM 319 CA ILE B 137 -6.823 7.070 1.897 1.00 0.00 C +ATOM 320 C ILE B 137 -7.128 5.576 1.738 1.00 0.00 C +ATOM 321 O ILE B 137 -7.963 5.067 2.480 1.00 0.00 O +ATOM 322 CB ILE B 137 -7.504 7.949 0.833 1.00 0.00 C +ATOM 323 CG1 ILE B 137 -7.388 9.430 1.237 1.00 0.00 C +ATOM 324 CG2 ILE B 137 -8.993 7.592 0.703 1.00 0.00 C +ATOM 325 CD1 ILE B 137 -7.529 10.362 0.035 1.00 0.00 C +ATOM 326 H ILE B 137 -4.948 7.817 1.175 1.00 0.00 H +ATOM 327 HA ILE B 137 -7.218 7.380 2.865 1.00 0.00 H +ATOM 328 HB ILE B 137 -7.023 7.790 -0.131 1.00 0.00 H +ATOM 329 HG12 ILE B 137 -8.159 9.669 1.970 1.00 0.00 H +ATOM 330 HG13 ILE B 137 -6.421 9.635 1.695 1.00 0.00 H +ATOM 331 HG21 ILE B 137 -9.130 6.544 0.451 1.00 0.00 H +ATOM 332 HG22 ILE B 137 -9.511 7.788 1.641 1.00 0.00 H +ATOM 333 HG23 ILE B 137 -9.449 8.179 -0.091 1.00 0.00 H +ATOM 334 HD11 ILE B 137 -8.390 10.098 -0.573 1.00 0.00 H +ATOM 335 HD12 ILE B 137 -7.650 11.382 0.394 1.00 0.00 H +ATOM 336 HD13 ILE B 137 -6.630 10.299 -0.574 1.00 0.00 H +ATOM 337 N LEU B 138 -6.471 4.859 0.814 1.00 0.00 N +ATOM 338 CA LEU B 138 -6.681 3.415 0.659 1.00 0.00 C +ATOM 339 C LEU B 138 -6.476 2.733 2.014 1.00 0.00 C +ATOM 340 O LEU B 138 -7.358 2.032 2.508 1.00 0.00 O +ATOM 341 CB LEU B 138 -5.710 2.781 -0.363 1.00 0.00 C +ATOM 342 CG LEU B 138 -6.178 2.653 -1.823 1.00 0.00 C +ATOM 343 CD1 LEU B 138 -7.450 1.805 -1.960 1.00 0.00 C +ATOM 344 CD2 LEU B 138 -6.300 4.010 -2.518 1.00 0.00 C +ATOM 345 H LEU B 138 -5.793 5.331 0.224 1.00 0.00 H +ATOM 346 HA LEU B 138 -7.714 3.243 0.362 1.00 0.00 H +ATOM 347 HB2 LEU B 138 -4.763 3.313 -0.347 1.00 0.00 H +ATOM 348 HB3 LEU B 138 -5.505 1.760 -0.038 1.00 0.00 H +ATOM 349 HG LEU B 138 -5.395 2.109 -2.354 1.00 0.00 H +ATOM 350 HD11 LEU B 138 -7.301 0.841 -1.473 1.00 0.00 H +ATOM 351 HD12 LEU B 138 -8.310 2.296 -1.514 1.00 0.00 H +ATOM 352 HD13 LEU B 138 -7.656 1.633 -3.015 1.00 0.00 H +ATOM 353 HD21 LEU B 138 -6.919 4.684 -1.937 1.00 0.00 H +ATOM 354 HD22 LEU B 138 -5.308 4.445 -2.620 1.00 0.00 H +ATOM 355 HD23 LEU B 138 -6.730 3.887 -3.513 1.00 0.00 H +ATOM 356 N ASN B 139 -5.303 2.945 2.617 1.00 0.00 N +ATOM 357 CA ASN B 139 -4.959 2.354 3.901 1.00 0.00 C +ATOM 358 C ASN B 139 -6.032 2.686 4.929 1.00 0.00 C +ATOM 359 O ASN B 139 -6.498 1.788 5.625 1.00 0.00 O +ATOM 360 CB ASN B 139 -3.584 2.837 4.377 1.00 0.00 C +ATOM 361 CG ASN B 139 -2.989 2.010 5.524 1.00 0.00 C +ATOM 362 OD1 ASN B 139 -1.772 1.966 5.661 1.00 0.00 O +ATOM 363 ND2 ASN B 139 -3.782 1.339 6.361 1.00 0.00 N +ATOM 364 H ASN B 139 -4.628 3.546 2.158 1.00 0.00 H +ATOM 365 HA ASN B 139 -4.917 1.273 3.765 1.00 0.00 H +ATOM 366 HB2 ASN B 139 -2.888 2.776 3.539 1.00 0.00 H +ATOM 367 HB3 ASN B 139 -3.643 3.881 4.690 1.00 0.00 H +ATOM 368 HD21 ASN B 139 -4.799 1.324 6.304 1.00 0.00 H +ATOM 369 HD22 ASN B 139 -3.334 0.804 7.088 1.00 0.00 H +ATOM 370 N ASP B 140 -6.417 3.957 5.038 1.00 0.00 N +ATOM 371 CA ASP B 140 -7.431 4.386 5.985 1.00 0.00 C +ATOM 372 C ASP B 140 -8.746 3.653 5.727 1.00 0.00 C +ATOM 373 O ASP B 140 -9.369 3.165 6.663 1.00 0.00 O +ATOM 374 CB ASP B 140 -7.612 5.905 5.919 1.00 0.00 C +ATOM 375 CG ASP B 140 -8.639 6.385 6.940 1.00 0.00 C +ATOM 376 OD1 ASP B 140 -8.493 6.007 8.122 1.00 0.00 O +ATOM 377 OD2 ASP B 140 -9.552 7.127 6.521 1.00 0.00 O +ATOM 378 H ASP B 140 -5.989 4.652 4.438 1.00 0.00 H +ATOM 379 HA ASP B 140 -7.081 4.124 6.985 1.00 0.00 H +ATOM 380 HB2 ASP B 140 -6.662 6.395 6.129 1.00 0.00 H +ATOM 381 HB3 ASP B 140 -7.942 6.190 4.920 1.00 0.00 H +ATOM 382 N LEU B 141 -9.162 3.548 4.463 1.00 0.00 N +ATOM 383 CA LEU B 141 -10.384 2.856 4.080 1.00 0.00 C +ATOM 384 C LEU B 141 -10.315 1.394 4.529 1.00 0.00 C +ATOM 385 O LEU B 141 -11.290 0.855 5.052 1.00 0.00 O +ATOM 386 CB LEU B 141 -10.628 3.005 2.568 1.00 0.00 C +ATOM 387 CG LEU B 141 -12.032 2.560 2.120 1.00 0.00 C +ATOM 388 CD1 LEU B 141 -13.129 3.436 2.733 1.00 0.00 C +ATOM 389 CD2 LEU B 141 -12.138 2.645 0.592 1.00 0.00 C +ATOM 390 H LEU B 141 -8.593 3.953 3.730 1.00 0.00 H +ATOM 391 HA LEU B 141 -11.193 3.349 4.611 1.00 0.00 H +ATOM 392 HB2 LEU B 141 -10.500 4.053 2.292 1.00 0.00 H +ATOM 393 HB3 LEU B 141 -9.882 2.420 2.030 1.00 0.00 H +ATOM 394 HG LEU B 141 -12.211 1.526 2.417 1.00 0.00 H +ATOM 395 HD11 LEU B 141 -12.873 4.489 2.616 1.00 0.00 H +ATOM 396 HD12 LEU B 141 -14.079 3.251 2.231 1.00 0.00 H +ATOM 397 HD13 LEU B 141 -13.249 3.199 3.788 1.00 0.00 H +ATOM 398 HD21 LEU B 141 -11.336 2.074 0.126 1.00 0.00 H +ATOM 399 HD22 LEU B 141 -13.095 2.235 0.265 1.00 0.00 H +ATOM 400 HD23 LEU B 141 -12.072 3.685 0.274 1.00 0.00 H +ATOM 401 N SER B 142 -9.169 0.739 4.325 1.00 0.00 N +ATOM 402 CA SER B 142 -8.969 -0.647 4.729 1.00 0.00 C +ATOM 403 C SER B 142 -9.007 -0.782 6.253 1.00 0.00 C +ATOM 404 O SER B 142 -9.633 -1.692 6.783 1.00 0.00 O +ATOM 405 CB SER B 142 -7.639 -1.160 4.171 1.00 0.00 C +ATOM 406 OG SER B 142 -7.622 -0.999 2.766 1.00 0.00 O +ATOM 407 H SER B 142 -8.405 1.214 3.850 1.00 0.00 H +ATOM 408 HA SER B 142 -9.772 -1.261 4.321 1.00 0.00 H +ATOM 409 HB2 SER B 142 -6.811 -0.606 4.616 1.00 0.00 H +ATOM 410 HB3 SER B 142 -7.530 -2.216 4.423 1.00 0.00 H +ATOM 411 HG SER B 142 -6.754 -1.231 2.430 1.00 0.00 H +ATOM 412 N SER B 143 -8.313 0.109 6.961 1.00 0.00 N +ATOM 413 CA SER B 143 -8.248 0.081 8.411 1.00 0.00 C +ATOM 414 C SER B 143 -9.603 0.390 9.050 1.00 0.00 C +ATOM 415 O SER B 143 -9.940 -0.174 10.087 1.00 0.00 O +ATOM 416 CB SER B 143 -7.201 1.089 8.893 1.00 0.00 C +ATOM 417 OG SER B 143 -5.946 0.821 8.295 1.00 0.00 O +ATOM 418 H SER B 143 -7.779 0.824 6.479 1.00 0.00 H +ATOM 419 HA SER B 143 -7.942 -0.915 8.727 1.00 0.00 H +ATOM 420 HB2 SER B 143 -7.523 2.100 8.635 1.00 0.00 H +ATOM 421 HB3 SER B 143 -7.114 1.016 9.979 1.00 0.00 H +ATOM 422 HG SER B 143 -5.312 1.476 8.599 1.00 0.00 H +ATOM 423 N ASP B 144 -10.346 1.329 8.463 1.00 0.00 N +ATOM 424 CA ASP B 144 -11.605 1.807 9.011 1.00 0.00 C +ATOM 425 C ASP B 144 -12.760 0.867 8.687 1.00 0.00 C +ATOM 426 O ASP B 144 -13.482 0.426 9.579 1.00 0.00 O +ATOM 427 CB ASP B 144 -11.862 3.233 8.502 1.00 0.00 C +ATOM 428 CG ASP B 144 -13.052 3.916 9.171 1.00 0.00 C +ATOM 429 OD1 ASP B 144 -13.362 3.551 10.326 1.00 0.00 O +ATOM 430 OD2 ASP B 144 -13.601 4.834 8.526 1.00 0.00 O +ATOM 431 H ASP B 144 -9.995 1.771 7.619 1.00 0.00 H +ATOM 432 HA ASP B 144 -11.505 1.846 10.093 1.00 0.00 H +ATOM 433 HB2 ASP B 144 -10.984 3.847 8.706 1.00 0.00 H +ATOM 434 HB3 ASP B 144 -12.028 3.214 7.424 1.00 0.00 H +ATOM 435 N ALA B 145 -12.940 0.561 7.403 1.00 0.00 N +ATOM 436 CA ALA B 145 -14.036 -0.282 6.958 1.00 0.00 C +ATOM 437 C ALA B 145 -13.666 -1.765 7.075 1.00 0.00 C +ATOM 438 O ALA B 145 -12.678 -2.179 6.476 1.00 0.00 O +ATOM 439 CB ALA B 145 -14.423 0.090 5.529 1.00 0.00 C +ATOM 440 H ALA B 145 -12.284 0.916 6.715 1.00 0.00 H +ATOM 441 HA ALA B 145 -14.904 -0.051 7.564 1.00 0.00 H +ATOM 442 HB1 ALA B 145 -14.564 1.167 5.450 1.00 0.00 H +ATOM 443 HB2 ALA B 145 -13.641 -0.211 4.841 1.00 0.00 H +ATOM 444 HB3 ALA B 145 -15.351 -0.415 5.269 1.00 0.00 H +ATOM 445 N PRO B 146 -14.440 -2.581 7.815 1.00 0.00 N +ATOM 446 CA PRO B 146 -14.186 -4.007 7.980 1.00 0.00 C +ATOM 447 C PRO B 146 -13.779 -4.700 6.674 1.00 0.00 C +ATOM 448 O PRO B 146 -14.333 -5.732 6.299 1.00 0.00 O +ATOM 449 CB PRO B 146 -15.476 -4.581 8.582 1.00 0.00 C +ATOM 450 CG PRO B 146 -16.021 -3.409 9.396 1.00 0.00 C +ATOM 451 CD PRO B 146 -15.628 -2.190 8.560 1.00 0.00 C +ATOM 452 HA PRO B 146 -13.376 -4.122 8.701 1.00 0.00 H +ATOM 453 HB2 PRO B 146 -16.193 -4.822 7.796 1.00 0.00 H +ATOM 454 HB3 PRO B 146 -15.286 -5.462 9.196 1.00 0.00 H +ATOM 455 HG2 PRO B 146 -17.099 -3.476 9.551 1.00 0.00 H +ATOM 456 HG3 PRO B 146 -15.505 -3.370 10.356 1.00 0.00 H +ATOM 457 HD2 PRO B 146 -16.423 -1.934 7.857 1.00 0.00 H +ATOM 458 HD3 PRO B 146 -15.437 -1.352 9.232 1.00 0.00 H +TER 459 PRO B 146 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_PKID_1KDXB_1KDXB/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_PKID_1KDXB_1KDXB/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..67e12735e7b3046373266e1daa2e34aa27152805 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_PKID_1KDXB_1KDXB/state_b.pdb @@ -0,0 +1,462 @@ +MODEL 1 +ATOM 1 N THR B 119 -8.687 1.533 -18.744 1.00 0.00 N +ATOM 2 CA THR B 119 -7.965 2.639 -19.356 1.00 0.00 C +ATOM 3 C THR B 119 -8.019 3.845 -18.420 1.00 0.00 C +ATOM 4 O THR B 119 -6.997 4.284 -17.897 1.00 0.00 O +ATOM 5 CB THR B 119 -8.505 2.925 -20.767 1.00 0.00 C +ATOM 6 OG1 THR B 119 -8.378 1.761 -21.560 1.00 0.00 O +ATOM 7 CG2 THR B 119 -7.730 4.054 -21.459 1.00 0.00 C +ATOM 8 H THR B 119 -8.770 1.486 -17.733 1.00 0.00 H +ATOM 9 HA THR B 119 -6.923 2.341 -19.448 1.00 0.00 H +ATOM 10 HB THR B 119 -9.561 3.194 -20.704 1.00 0.00 H +ATOM 11 HG1 THR B 119 -8.843 1.890 -22.390 1.00 0.00 H +ATOM 12 HG21 THR B 119 -6.672 3.795 -21.517 1.00 0.00 H +ATOM 13 HG22 THR B 119 -8.114 4.197 -22.469 1.00 0.00 H +ATOM 14 HG23 THR B 119 -7.842 4.990 -20.910 1.00 0.00 H +ATOM 15 N ASP B 120 -9.226 4.353 -18.163 1.00 0.00 N +ATOM 16 CA ASP B 120 -9.426 5.458 -17.228 1.00 0.00 C +ATOM 17 C ASP B 120 -8.975 5.013 -15.833 1.00 0.00 C +ATOM 18 O ASP B 120 -8.339 5.759 -15.096 1.00 0.00 O +ATOM 19 CB ASP B 120 -10.898 5.891 -17.247 1.00 0.00 C +ATOM 20 CG ASP B 120 -11.170 7.095 -16.347 1.00 0.00 C +ATOM 21 OD1 ASP B 120 -10.259 7.941 -16.223 1.00 0.00 O +ATOM 22 OD2 ASP B 120 -12.305 7.162 -15.829 1.00 0.00 O +ATOM 23 H ASP B 120 -10.019 3.910 -18.599 1.00 0.00 H +ATOM 24 HA ASP B 120 -8.797 6.292 -17.547 1.00 0.00 H +ATOM 25 HB2 ASP B 120 -11.173 6.170 -18.264 1.00 0.00 H +ATOM 26 HB3 ASP B 120 -11.530 5.062 -16.927 1.00 0.00 H +ATOM 27 N SER B 121 -9.248 3.746 -15.516 1.00 0.00 N +ATOM 28 CA SER B 121 -8.800 3.056 -14.320 1.00 0.00 C +ATOM 29 C SER B 121 -7.284 3.219 -14.201 1.00 0.00 C +ATOM 30 O SER B 121 -6.782 3.794 -13.237 1.00 0.00 O +ATOM 31 CB SER B 121 -9.182 1.582 -14.505 1.00 0.00 C +ATOM 32 OG SER B 121 -8.968 1.229 -15.867 1.00 0.00 O +ATOM 33 H SER B 121 -9.704 3.161 -16.203 1.00 0.00 H +ATOM 34 HA SER B 121 -9.279 3.459 -13.427 1.00 0.00 H +ATOM 35 HB2 SER B 121 -8.596 0.947 -13.835 1.00 0.00 H +ATOM 36 HB3 SER B 121 -10.241 1.443 -14.281 1.00 0.00 H +ATOM 37 HG SER B 121 -8.258 0.572 -15.899 1.00 0.00 H +ATOM 38 N GLN B 122 -6.572 2.703 -15.206 1.00 0.00 N +ATOM 39 CA GLN B 122 -5.125 2.756 -15.317 1.00 0.00 C +ATOM 40 C GLN B 122 -4.637 4.193 -15.142 1.00 0.00 C +ATOM 41 O GLN B 122 -3.751 4.424 -14.329 1.00 0.00 O +ATOM 42 CB GLN B 122 -4.658 2.173 -16.665 1.00 0.00 C +ATOM 43 CG GLN B 122 -4.254 0.689 -16.611 1.00 0.00 C +ATOM 44 CD GLN B 122 -5.424 -0.284 -16.483 1.00 0.00 C +ATOM 45 OE1 GLN B 122 -6.532 0.085 -16.108 1.00 0.00 O +ATOM 46 NE2 GLN B 122 -5.191 -1.558 -16.793 1.00 0.00 N +ATOM 47 H GLN B 122 -7.088 2.227 -15.936 1.00 0.00 H +ATOM 48 HA GLN B 122 -4.698 2.167 -14.505 1.00 0.00 H +ATOM 49 HB2 GLN B 122 -5.416 2.318 -17.434 1.00 0.00 H +ATOM 50 HB3 GLN B 122 -3.766 2.717 -16.972 1.00 0.00 H +ATOM 51 HG2 GLN B 122 -3.723 0.458 -17.534 1.00 0.00 H +ATOM 52 HG3 GLN B 122 -3.572 0.530 -15.774 1.00 0.00 H +ATOM 53 HE21 GLN B 122 -4.283 -1.862 -17.107 1.00 0.00 H +ATOM 54 HE22 GLN B 122 -5.956 -2.212 -16.724 1.00 0.00 H +ATOM 55 N LYS B 123 -5.195 5.151 -15.888 1.00 0.00 N +ATOM 56 CA LYS B 123 -4.794 6.550 -15.803 1.00 0.00 C +ATOM 57 C LYS B 123 -4.910 7.071 -14.367 1.00 0.00 C +ATOM 58 O LYS B 123 -3.922 7.513 -13.782 1.00 0.00 O +ATOM 59 CB LYS B 123 -5.642 7.401 -16.761 1.00 0.00 C +ATOM 60 CG LYS B 123 -5.371 7.099 -18.242 1.00 0.00 C +ATOM 61 CD LYS B 123 -4.112 7.823 -18.735 1.00 0.00 C +ATOM 62 CE LYS B 123 -3.761 7.444 -20.178 1.00 0.00 C +ATOM 63 NZ LYS B 123 -4.828 7.816 -21.126 1.00 0.00 N +ATOM 64 H LYS B 123 -5.928 4.893 -16.540 1.00 0.00 H +ATOM 65 HA LYS B 123 -3.745 6.624 -16.091 1.00 0.00 H +ATOM 66 HB2 LYS B 123 -6.696 7.213 -16.556 1.00 0.00 H +ATOM 67 HB3 LYS B 123 -5.451 8.460 -16.575 1.00 0.00 H +ATOM 68 HG2 LYS B 123 -5.262 6.026 -18.395 1.00 0.00 H +ATOM 69 HG3 LYS B 123 -6.233 7.445 -18.814 1.00 0.00 H +ATOM 70 HD2 LYS B 123 -4.269 8.902 -18.667 1.00 0.00 H +ATOM 71 HD3 LYS B 123 -3.265 7.557 -18.101 1.00 0.00 H +ATOM 72 HE2 LYS B 123 -2.845 7.963 -20.466 1.00 0.00 H +ATOM 73 HE3 LYS B 123 -3.583 6.370 -20.241 1.00 0.00 H +ATOM 74 HZ1 LYS B 123 -4.997 8.811 -21.073 1.00 0.00 H +ATOM 75 HZ2 LYS B 123 -4.545 7.575 -22.065 1.00 0.00 H +ATOM 76 HZ3 LYS B 123 -5.676 7.318 -20.898 1.00 0.00 H +ATOM 77 N ARG B 124 -6.116 7.010 -13.798 1.00 0.00 N +ATOM 78 CA ARG B 124 -6.382 7.470 -12.441 1.00 0.00 C +ATOM 79 C ARG B 124 -5.430 6.798 -11.458 1.00 0.00 C +ATOM 80 O ARG B 124 -4.726 7.485 -10.725 1.00 0.00 O +ATOM 81 CB ARG B 124 -7.857 7.243 -12.092 1.00 0.00 C +ATOM 82 CG ARG B 124 -8.752 8.154 -12.949 1.00 0.00 C +ATOM 83 CD ARG B 124 -10.243 7.882 -12.733 1.00 0.00 C +ATOM 84 NE ARG B 124 -10.591 6.497 -13.078 1.00 0.00 N +ATOM 85 CZ ARG B 124 -11.824 5.980 -12.975 1.00 0.00 C +ATOM 86 NH1 ARG B 124 -12.850 6.749 -12.595 1.00 0.00 N +ATOM 87 NH2 ARG B 124 -12.030 4.692 -13.260 1.00 0.00 N +ATOM 88 H ARG B 124 -6.881 6.602 -14.326 1.00 0.00 H +ATOM 89 HA ARG B 124 -6.193 8.538 -12.348 1.00 0.00 H +ATOM 90 HB2 ARG B 124 -8.104 6.193 -12.246 1.00 0.00 H +ATOM 91 HB3 ARG B 124 -8.012 7.490 -11.041 1.00 0.00 H +ATOM 92 HG2 ARG B 124 -8.547 9.193 -12.693 1.00 0.00 H +ATOM 93 HG3 ARG B 124 -8.534 8.021 -14.008 1.00 0.00 H +ATOM 94 HD2 ARG B 124 -10.498 8.078 -11.691 1.00 0.00 H +ATOM 95 HD3 ARG B 124 -10.811 8.557 -13.375 1.00 0.00 H +ATOM 96 HE ARG B 124 -9.837 5.921 -13.430 1.00 0.00 H +ATOM 97 HH11 ARG B 124 -12.683 7.721 -12.388 1.00 0.00 H +ATOM 98 HH12 ARG B 124 -13.782 6.377 -12.517 1.00 0.00 H +ATOM 99 HH21 ARG B 124 -11.257 4.116 -13.552 1.00 0.00 H +ATOM 100 HH22 ARG B 124 -12.949 4.286 -13.168 1.00 0.00 H +ATOM 101 N ARG B 125 -5.376 5.468 -11.452 1.00 0.00 N +ATOM 102 CA ARG B 125 -4.500 4.735 -10.555 1.00 0.00 C +ATOM 103 C ARG B 125 -3.041 5.169 -10.732 1.00 0.00 C +ATOM 104 O ARG B 125 -2.394 5.548 -9.761 1.00 0.00 O +ATOM 105 CB ARG B 125 -4.707 3.227 -10.752 1.00 0.00 C +ATOM 106 CG ARG B 125 -3.929 2.407 -9.712 1.00 0.00 C +ATOM 107 CD ARG B 125 -4.436 0.960 -9.659 1.00 0.00 C +ATOM 108 NE ARG B 125 -4.260 0.282 -10.949 1.00 0.00 N +ATOM 109 CZ ARG B 125 -4.690 -0.958 -11.226 1.00 0.00 C +ATOM 110 NH1 ARG B 125 -5.341 -1.680 -10.304 1.00 0.00 N +ATOM 111 NH2 ARG B 125 -4.456 -1.473 -12.438 1.00 0.00 N +ATOM 112 H ARG B 125 -5.958 4.950 -12.102 1.00 0.00 H +ATOM 113 HA ARG B 125 -4.802 4.983 -9.536 1.00 0.00 H +ATOM 114 HB2 ARG B 125 -5.770 3.017 -10.636 1.00 0.00 H +ATOM 115 HB3 ARG B 125 -4.402 2.941 -11.760 1.00 0.00 H +ATOM 116 HG2 ARG B 125 -2.864 2.417 -9.953 1.00 0.00 H +ATOM 117 HG3 ARG B 125 -4.063 2.853 -8.726 1.00 0.00 H +ATOM 118 HD2 ARG B 125 -3.872 0.420 -8.894 1.00 0.00 H +ATOM 119 HD3 ARG B 125 -5.494 0.962 -9.384 1.00 0.00 H +ATOM 120 HE ARG B 125 -3.764 0.794 -11.665 1.00 0.00 H +ATOM 121 HH11 ARG B 125 -5.517 -1.303 -9.380 1.00 0.00 H +ATOM 122 HH12 ARG B 125 -5.659 -2.616 -10.507 1.00 0.00 H +ATOM 123 HH21 ARG B 125 -3.948 -0.932 -13.122 1.00 0.00 H +ATOM 124 HH22 ARG B 125 -4.767 -2.404 -12.673 1.00 0.00 H +ATOM 125 N GLU B 126 -2.520 5.127 -11.957 1.00 0.00 N +ATOM 126 CA GLU B 126 -1.148 5.488 -12.293 1.00 0.00 C +ATOM 127 C GLU B 126 -0.790 6.896 -11.810 1.00 0.00 C +ATOM 128 O GLU B 126 0.274 7.100 -11.224 1.00 0.00 O +ATOM 129 CB GLU B 126 -0.952 5.353 -13.812 1.00 0.00 C +ATOM 130 CG GLU B 126 0.482 5.647 -14.268 1.00 0.00 C +ATOM 131 CD GLU B 126 0.640 5.383 -15.762 1.00 0.00 C +ATOM 132 OE1 GLU B 126 0.044 6.159 -16.541 1.00 0.00 O +ATOM 133 OE2 GLU B 126 1.342 4.405 -16.097 1.00 0.00 O +ATOM 134 H GLU B 126 -3.123 4.829 -12.714 1.00 0.00 H +ATOM 135 HA GLU B 126 -0.484 4.779 -11.799 1.00 0.00 H +ATOM 136 HB2 GLU B 126 -1.193 4.331 -14.105 1.00 0.00 H +ATOM 137 HB3 GLU B 126 -1.633 6.032 -14.331 1.00 0.00 H +ATOM 138 HG2 GLU B 126 0.727 6.692 -14.084 1.00 0.00 H +ATOM 139 HG3 GLU B 126 1.178 5.013 -13.717 1.00 0.00 H +ATOM 140 N ILE B 127 -1.653 7.877 -12.076 1.00 0.00 N +ATOM 141 CA ILE B 127 -1.396 9.256 -11.684 1.00 0.00 C +ATOM 142 C ILE B 127 -1.499 9.383 -10.161 1.00 0.00 C +ATOM 143 O ILE B 127 -0.588 9.893 -9.513 1.00 0.00 O +ATOM 144 CB ILE B 127 -2.345 10.211 -12.434 1.00 0.00 C +ATOM 145 CG1 ILE B 127 -2.074 10.148 -13.951 1.00 0.00 C +ATOM 146 CG2 ILE B 127 -2.159 11.659 -11.948 1.00 0.00 C +ATOM 147 CD1 ILE B 127 -3.199 10.777 -14.782 1.00 0.00 C +ATOM 148 H ILE B 127 -2.508 7.663 -12.584 1.00 0.00 H +ATOM 149 HA ILE B 127 -0.373 9.516 -11.964 1.00 0.00 H +ATOM 150 HB ILE B 127 -3.374 9.906 -12.240 1.00 0.00 H +ATOM 151 HG12 ILE B 127 -1.135 10.656 -14.178 1.00 0.00 H +ATOM 152 HG13 ILE B 127 -1.979 9.115 -14.278 1.00 0.00 H +ATOM 153 HG21 ILE B 127 -2.366 11.744 -10.882 1.00 0.00 H +ATOM 154 HG22 ILE B 127 -1.134 11.984 -12.133 1.00 0.00 H +ATOM 155 HG23 ILE B 127 -2.844 12.327 -12.468 1.00 0.00 H +ATOM 156 HD11 ILE B 127 -4.154 10.315 -14.525 1.00 0.00 H +ATOM 157 HD12 ILE B 127 -3.258 11.851 -14.612 1.00 0.00 H +ATOM 158 HD13 ILE B 127 -2.998 10.606 -15.841 1.00 0.00 H +ATOM 159 N LEU B 128 -2.601 8.922 -9.568 1.00 0.00 N +ATOM 160 CA LEU B 128 -2.822 9.039 -8.131 1.00 0.00 C +ATOM 161 C LEU B 128 -1.768 8.260 -7.336 1.00 0.00 C +ATOM 162 O LEU B 128 -1.387 8.686 -6.251 1.00 0.00 O +ATOM 163 CB LEU B 128 -4.272 8.681 -7.784 1.00 0.00 C +ATOM 164 CG LEU B 128 -5.269 9.824 -8.085 1.00 0.00 C +ATOM 165 CD1 LEU B 128 -5.053 10.583 -9.403 1.00 0.00 C +ATOM 166 CD2 LEU B 128 -6.711 9.305 -8.080 1.00 0.00 C +ATOM 167 H LEU B 128 -3.325 8.486 -10.131 1.00 0.00 H +ATOM 168 HA LEU B 128 -2.680 10.083 -7.848 1.00 0.00 H +ATOM 169 HB2 LEU B 128 -4.560 7.754 -8.279 1.00 0.00 H +ATOM 170 HB3 LEU B 128 -4.311 8.508 -6.712 1.00 0.00 H +ATOM 171 HG LEU B 128 -5.166 10.552 -7.284 1.00 0.00 H +ATOM 172 HD11 LEU B 128 -5.113 9.908 -10.255 1.00 0.00 H +ATOM 173 HD12 LEU B 128 -5.821 11.348 -9.513 1.00 0.00 H +ATOM 174 HD13 LEU B 128 -4.089 11.087 -9.398 1.00 0.00 H +ATOM 175 HD21 LEU B 128 -6.822 8.507 -8.816 1.00 0.00 H +ATOM 176 HD22 LEU B 128 -6.971 8.937 -7.093 1.00 0.00 H +ATOM 177 HD23 LEU B 128 -7.400 10.110 -8.332 1.00 0.00 H +ATOM 178 N SER B 129 -1.221 7.168 -7.878 1.00 0.00 N +ATOM 179 CA SER B 129 -0.113 6.452 -7.244 1.00 0.00 C +ATOM 180 C SER B 129 1.123 7.359 -7.095 1.00 0.00 C +ATOM 181 O SER B 129 2.004 7.076 -6.286 1.00 0.00 O +ATOM 182 CB SER B 129 0.241 5.197 -8.046 1.00 0.00 C +ATOM 183 OG SER B 129 -0.821 4.265 -7.984 1.00 0.00 O +ATOM 184 H SER B 129 -1.556 6.850 -8.782 1.00 0.00 H +ATOM 185 HA SER B 129 -0.418 6.138 -6.245 1.00 0.00 H +ATOM 186 HB2 SER B 129 0.454 5.458 -9.082 1.00 0.00 H +ATOM 187 HB3 SER B 129 1.135 4.740 -7.623 1.00 0.00 H +ATOM 188 HG SER B 129 -1.568 4.636 -8.468 1.00 0.00 H +ATOM 189 N ARG B 130 1.190 8.460 -7.849 1.00 0.00 N +ATOM 190 CA ARG B 130 2.264 9.443 -7.788 1.00 0.00 C +ATOM 191 C ARG B 130 1.956 10.515 -6.730 1.00 0.00 C +ATOM 192 O ARG B 130 2.729 11.457 -6.568 1.00 0.00 O +ATOM 193 CB ARG B 130 2.391 10.061 -9.189 1.00 0.00 C +ATOM 194 CG ARG B 130 3.837 10.322 -9.639 1.00 0.00 C +ATOM 195 CD ARG B 130 3.860 10.669 -11.137 1.00 0.00 C +ATOM 196 NE ARG B 130 3.197 9.614 -11.921 1.00 0.00 N +ATOM 197 CZ ARG B 130 3.688 8.383 -12.116 1.00 0.00 C +ATOM 198 NH1 ARG B 130 5.008 8.169 -12.119 1.00 0.00 N +ATOM 199 NH2 ARG B 130 2.842 7.359 -12.282 1.00 0.00 N +ATOM 200 H ARG B 130 0.435 8.671 -8.493 1.00 0.00 H +ATOM 201 HA ARG B 130 3.198 8.943 -7.525 1.00 0.00 H +ATOM 202 HB2 ARG B 130 1.937 9.358 -9.886 1.00 0.00 H +ATOM 203 HB3 ARG B 130 1.820 10.990 -9.242 1.00 0.00 H +ATOM 204 HG2 ARG B 130 4.259 11.141 -9.055 1.00 0.00 H +ATOM 205 HG3 ARG B 130 4.437 9.426 -9.477 1.00 0.00 H +ATOM 206 HD2 ARG B 130 3.314 11.602 -11.287 1.00 0.00 H +ATOM 207 HD3 ARG B 130 4.886 10.827 -11.471 1.00 0.00 H +ATOM 208 HE ARG B 130 2.211 9.755 -12.090 1.00 0.00 H +ATOM 209 HH11 ARG B 130 5.633 8.947 -11.975 1.00 0.00 H +ATOM 210 HH12 ARG B 130 5.387 7.247 -12.271 1.00 0.00 H +ATOM 211 HH21 ARG B 130 1.856 7.470 -12.051 1.00 0.00 H +ATOM 212 HH22 ARG B 130 3.190 6.433 -12.474 1.00 0.00 H +ATOM 213 N ARG B 131 0.826 10.385 -6.025 1.00 0.00 N +ATOM 214 CA ARG B 131 0.324 11.296 -5.011 1.00 0.00 C +ATOM 215 C ARG B 131 -0.146 10.424 -3.839 1.00 0.00 C +ATOM 216 O ARG B 131 -1.331 10.105 -3.724 1.00 0.00 O +ATOM 217 CB ARG B 131 -0.799 12.135 -5.624 1.00 0.00 C +ATOM 218 CG ARG B 131 -0.234 13.059 -6.716 1.00 0.00 C +ATOM 219 CD ARG B 131 -1.163 14.234 -7.031 1.00 0.00 C +ATOM 220 NE ARG B 131 -1.356 15.082 -5.843 1.00 0.00 N +ATOM 221 CZ ARG B 131 -1.135 16.395 -5.706 1.00 0.00 C +ATOM 222 NH1 ARG B 131 -0.597 17.125 -6.689 1.00 0.00 N +ATOM 223 NH2 ARG B 131 -1.469 16.969 -4.547 1.00 0.00 N +ATOM 224 H ARG B 131 0.231 9.580 -6.190 1.00 0.00 H +ATOM 225 HA ARG B 131 1.091 11.993 -4.682 1.00 0.00 H +ATOM 226 HB2 ARG B 131 -1.583 11.498 -6.037 1.00 0.00 H +ATOM 227 HB3 ARG B 131 -1.228 12.718 -4.820 1.00 0.00 H +ATOM 228 HG2 ARG B 131 0.723 13.471 -6.395 1.00 0.00 H +ATOM 229 HG3 ARG B 131 -0.072 12.476 -7.625 1.00 0.00 H +ATOM 230 HD2 ARG B 131 -0.740 14.788 -7.867 1.00 0.00 H +ATOM 231 HD3 ARG B 131 -2.132 13.846 -7.347 1.00 0.00 H +ATOM 232 HE ARG B 131 -1.744 14.618 -5.031 1.00 0.00 H +ATOM 233 HH11 ARG B 131 -0.340 16.687 -7.559 1.00 0.00 H +ATOM 234 HH12 ARG B 131 -0.438 18.114 -6.572 1.00 0.00 H +ATOM 235 HH21 ARG B 131 -1.896 16.400 -3.827 1.00 0.00 H +ATOM 236 HH22 ARG B 131 -1.327 17.954 -4.386 1.00 0.00 H +ATOM 237 N PRO B 132 0.788 9.986 -2.977 1.00 0.00 N +ATOM 238 CA PRO B 132 0.527 9.018 -1.924 1.00 0.00 C +ATOM 239 C PRO B 132 -0.590 9.342 -0.930 1.00 0.00 C +ATOM 240 O PRO B 132 -0.994 8.438 -0.200 1.00 0.00 O +ATOM 241 CB PRO B 132 1.878 8.713 -1.276 1.00 0.00 C +ATOM 242 CG PRO B 132 2.732 9.927 -1.628 1.00 0.00 C +ATOM 243 CD PRO B 132 2.205 10.318 -3.005 1.00 0.00 C +ATOM 244 HA PRO B 132 0.204 8.101 -2.421 1.00 0.00 H +ATOM 245 HB2 PRO B 132 1.809 8.545 -0.201 1.00 0.00 H +ATOM 246 HB3 PRO B 132 2.303 7.842 -1.776 1.00 0.00 H +ATOM 247 HG2 PRO B 132 2.526 10.731 -0.919 1.00 0.00 H +ATOM 248 HG3 PRO B 132 3.800 9.699 -1.640 1.00 0.00 H +ATOM 249 HD2 PRO B 132 2.402 11.379 -3.150 1.00 0.00 H +ATOM 250 HD3 PRO B 132 2.702 9.733 -3.780 1.00 0.00 H +ATOM 251 N TYR B 134 -3.500 9.431 -1.781 1.00 0.00 N +ATOM 252 CA TYR B 134 -4.394 8.392 -2.284 1.00 0.00 C +ATOM 253 C TYR B 134 -4.119 7.083 -1.532 1.00 0.00 C +ATOM 254 O TYR B 134 -5.045 6.464 -1.012 1.00 0.00 O +ATOM 255 CB TYR B 134 -4.123 8.229 -3.787 1.00 0.00 C +ATOM 256 CG TYR B 134 -4.793 7.054 -4.480 1.00 0.00 C +ATOM 257 CD1 TYR B 134 -6.029 7.238 -5.128 1.00 0.00 C +ATOM 258 CD2 TYR B 134 -4.044 5.889 -4.737 1.00 0.00 C +ATOM 259 CE1 TYR B 134 -6.452 6.320 -6.108 1.00 0.00 C +ATOM 260 CE2 TYR B 134 -4.526 4.918 -5.631 1.00 0.00 C +ATOM 261 CZ TYR B 134 -5.728 5.139 -6.322 1.00 0.00 C +ATOM 262 OH TYR B 134 -6.177 4.227 -7.231 1.00 0.00 O +ATOM 263 H TYR B 134 -2.821 9.829 -2.428 1.00 0.00 H +ATOM 264 HA TYR B 134 -5.441 8.677 -2.111 1.00 0.00 H +ATOM 265 HB2 TYR B 134 -4.417 9.148 -4.296 1.00 0.00 H +ATOM 266 HB3 TYR B 134 -3.047 8.121 -3.933 1.00 0.00 H +ATOM 267 HD1 TYR B 134 -6.572 8.161 -4.990 1.00 0.00 H +ATOM 268 HD2 TYR B 134 -3.067 5.760 -4.293 1.00 0.00 H +ATOM 269 HE1 TYR B 134 -7.275 6.560 -6.767 1.00 0.00 H +ATOM 270 HE2 TYR B 134 -3.929 4.043 -5.837 1.00 0.00 H +ATOM 271 HH TYR B 134 -5.651 3.427 -7.243 1.00 0.00 H +ATOM 272 N ARG B 135 -2.850 6.666 -1.437 1.00 0.00 N +ATOM 273 CA ARG B 135 -2.491 5.457 -0.703 1.00 0.00 C +ATOM 274 C ARG B 135 -2.908 5.580 0.761 1.00 0.00 C +ATOM 275 O ARG B 135 -3.441 4.629 1.326 1.00 0.00 O +ATOM 276 CB ARG B 135 -0.996 5.136 -0.785 1.00 0.00 C +ATOM 277 CG ARG B 135 -0.574 4.633 -2.166 1.00 0.00 C +ATOM 278 CD ARG B 135 0.802 3.966 -2.040 1.00 0.00 C +ATOM 279 NE ARG B 135 1.321 3.528 -3.340 1.00 0.00 N +ATOM 280 CZ ARG B 135 1.872 4.347 -4.245 1.00 0.00 C +ATOM 281 NH1 ARG B 135 1.933 5.660 -4.014 1.00 0.00 N +ATOM 282 NH2 ARG B 135 2.360 3.849 -5.385 1.00 0.00 N +ATOM 283 H ARG B 135 -2.118 7.241 -1.827 1.00 0.00 H +ATOM 284 HA ARG B 135 -3.040 4.620 -1.137 1.00 0.00 H +ATOM 285 HB2 ARG B 135 -0.396 6.000 -0.501 1.00 0.00 H +ATOM 286 HB3 ARG B 135 -0.802 4.339 -0.064 1.00 0.00 H +ATOM 287 HG2 ARG B 135 -1.288 3.889 -2.524 1.00 0.00 H +ATOM 288 HG3 ARG B 135 -0.555 5.467 -2.869 1.00 0.00 H +ATOM 289 HD2 ARG B 135 1.513 4.643 -1.564 1.00 0.00 H +ATOM 290 HD3 ARG B 135 0.709 3.082 -1.407 1.00 0.00 H +ATOM 291 HE ARG B 135 1.256 2.540 -3.546 1.00 0.00 H +ATOM 292 HH11 ARG B 135 1.576 6.034 -3.151 1.00 0.00 H +ATOM 293 HH12 ARG B 135 2.231 6.296 -4.751 1.00 0.00 H +ATOM 294 HH21 ARG B 135 2.322 2.856 -5.559 1.00 0.00 H +ATOM 295 HH22 ARG B 135 2.801 4.462 -6.054 1.00 0.00 H +ATOM 296 N LYS B 136 -2.677 6.742 1.379 1.00 0.00 N +ATOM 297 CA LYS B 136 -3.091 6.943 2.761 1.00 0.00 C +ATOM 298 C LYS B 136 -4.605 6.740 2.870 1.00 0.00 C +ATOM 299 O LYS B 136 -5.066 6.066 3.789 1.00 0.00 O +ATOM 300 CB LYS B 136 -2.633 8.303 3.302 1.00 0.00 C +ATOM 301 CG LYS B 136 -1.099 8.385 3.332 1.00 0.00 C +ATOM 302 CD LYS B 136 -0.543 9.711 3.877 1.00 0.00 C +ATOM 303 CE LYS B 136 -0.729 9.897 5.391 1.00 0.00 C +ATOM 304 NZ LYS B 136 -2.027 10.504 5.736 1.00 0.00 N +ATOM 305 H LYS B 136 -2.230 7.496 0.865 1.00 0.00 H +ATOM 306 HA LYS B 136 -2.617 6.171 3.371 1.00 0.00 H +ATOM 307 HB2 LYS B 136 -3.046 9.112 2.700 1.00 0.00 H +ATOM 308 HB3 LYS B 136 -3.018 8.384 4.316 1.00 0.00 H +ATOM 309 HG2 LYS B 136 -0.706 7.558 3.927 1.00 0.00 H +ATOM 310 HG3 LYS B 136 -0.723 8.268 2.316 1.00 0.00 H +ATOM 311 HD2 LYS B 136 0.531 9.700 3.683 1.00 0.00 H +ATOM 312 HD3 LYS B 136 -0.969 10.554 3.331 1.00 0.00 H +ATOM 313 HE2 LYS B 136 -0.617 8.942 5.906 1.00 0.00 H +ATOM 314 HE3 LYS B 136 0.050 10.571 5.753 1.00 0.00 H +ATOM 315 HZ1 LYS B 136 -2.112 11.403 5.284 1.00 0.00 H +ATOM 316 HZ2 LYS B 136 -2.784 9.908 5.439 1.00 0.00 H +ATOM 317 HZ3 LYS B 136 -2.081 10.630 6.737 1.00 0.00 H +ATOM 318 N ILE B 137 -5.379 7.275 1.920 1.00 0.00 N +ATOM 319 CA ILE B 137 -6.823 7.070 1.897 1.00 0.00 C +ATOM 320 C ILE B 137 -7.128 5.576 1.738 1.00 0.00 C +ATOM 321 O ILE B 137 -7.963 5.067 2.480 1.00 0.00 O +ATOM 322 CB ILE B 137 -7.504 7.949 0.833 1.00 0.00 C +ATOM 323 CG1 ILE B 137 -7.388 9.430 1.237 1.00 0.00 C +ATOM 324 CG2 ILE B 137 -8.993 7.592 0.703 1.00 0.00 C +ATOM 325 CD1 ILE B 137 -7.529 10.362 0.035 1.00 0.00 C +ATOM 326 H ILE B 137 -4.948 7.817 1.175 1.00 0.00 H +ATOM 327 HA ILE B 137 -7.218 7.380 2.865 1.00 0.00 H +ATOM 328 HB ILE B 137 -7.023 7.790 -0.131 1.00 0.00 H +ATOM 329 HG12 ILE B 137 -8.159 9.669 1.970 1.00 0.00 H +ATOM 330 HG13 ILE B 137 -6.421 9.635 1.695 1.00 0.00 H +ATOM 331 HG21 ILE B 137 -9.130 6.544 0.451 1.00 0.00 H +ATOM 332 HG22 ILE B 137 -9.511 7.788 1.641 1.00 0.00 H +ATOM 333 HG23 ILE B 137 -9.449 8.179 -0.091 1.00 0.00 H +ATOM 334 HD11 ILE B 137 -8.390 10.098 -0.573 1.00 0.00 H +ATOM 335 HD12 ILE B 137 -7.650 11.382 0.394 1.00 0.00 H +ATOM 336 HD13 ILE B 137 -6.630 10.299 -0.574 1.00 0.00 H +ATOM 337 N LEU B 138 -6.471 4.859 0.814 1.00 0.00 N +ATOM 338 CA LEU B 138 -6.681 3.415 0.659 1.00 0.00 C +ATOM 339 C LEU B 138 -6.476 2.733 2.014 1.00 0.00 C +ATOM 340 O LEU B 138 -7.358 2.032 2.508 1.00 0.00 O +ATOM 341 CB LEU B 138 -5.710 2.781 -0.363 1.00 0.00 C +ATOM 342 CG LEU B 138 -6.178 2.653 -1.823 1.00 0.00 C +ATOM 343 CD1 LEU B 138 -7.450 1.805 -1.960 1.00 0.00 C +ATOM 344 CD2 LEU B 138 -6.300 4.010 -2.518 1.00 0.00 C +ATOM 345 H LEU B 138 -5.793 5.331 0.224 1.00 0.00 H +ATOM 346 HA LEU B 138 -7.714 3.243 0.362 1.00 0.00 H +ATOM 347 HB2 LEU B 138 -4.763 3.313 -0.347 1.00 0.00 H +ATOM 348 HB3 LEU B 138 -5.505 1.760 -0.038 1.00 0.00 H +ATOM 349 HG LEU B 138 -5.395 2.109 -2.354 1.00 0.00 H +ATOM 350 HD11 LEU B 138 -7.301 0.841 -1.473 1.00 0.00 H +ATOM 351 HD12 LEU B 138 -8.310 2.296 -1.514 1.00 0.00 H +ATOM 352 HD13 LEU B 138 -7.656 1.633 -3.015 1.00 0.00 H +ATOM 353 HD21 LEU B 138 -6.919 4.684 -1.937 1.00 0.00 H +ATOM 354 HD22 LEU B 138 -5.308 4.445 -2.620 1.00 0.00 H +ATOM 355 HD23 LEU B 138 -6.730 3.887 -3.513 1.00 0.00 H +ATOM 356 N ASN B 139 -5.303 2.945 2.617 1.00 0.00 N +ATOM 357 CA ASN B 139 -4.959 2.354 3.901 1.00 0.00 C +ATOM 358 C ASN B 139 -6.032 2.686 4.929 1.00 0.00 C +ATOM 359 O ASN B 139 -6.498 1.788 5.625 1.00 0.00 O +ATOM 360 CB ASN B 139 -3.584 2.837 4.377 1.00 0.00 C +ATOM 361 CG ASN B 139 -2.989 2.010 5.524 1.00 0.00 C +ATOM 362 OD1 ASN B 139 -1.772 1.966 5.661 1.00 0.00 O +ATOM 363 ND2 ASN B 139 -3.782 1.339 6.361 1.00 0.00 N +ATOM 364 H ASN B 139 -4.628 3.546 2.158 1.00 0.00 H +ATOM 365 HA ASN B 139 -4.917 1.273 3.765 1.00 0.00 H +ATOM 366 HB2 ASN B 139 -2.888 2.776 3.539 1.00 0.00 H +ATOM 367 HB3 ASN B 139 -3.643 3.881 4.690 1.00 0.00 H +ATOM 368 HD21 ASN B 139 -4.799 1.324 6.304 1.00 0.00 H +ATOM 369 HD22 ASN B 139 -3.334 0.804 7.088 1.00 0.00 H +ATOM 370 N ASP B 140 -6.417 3.957 5.038 1.00 0.00 N +ATOM 371 CA ASP B 140 -7.431 4.386 5.985 1.00 0.00 C +ATOM 372 C ASP B 140 -8.746 3.653 5.727 1.00 0.00 C +ATOM 373 O ASP B 140 -9.369 3.165 6.663 1.00 0.00 O +ATOM 374 CB ASP B 140 -7.612 5.905 5.919 1.00 0.00 C +ATOM 375 CG ASP B 140 -8.639 6.385 6.940 1.00 0.00 C +ATOM 376 OD1 ASP B 140 -8.493 6.007 8.122 1.00 0.00 O +ATOM 377 OD2 ASP B 140 -9.552 7.127 6.521 1.00 0.00 O +ATOM 378 H ASP B 140 -5.989 4.652 4.438 1.00 0.00 H +ATOM 379 HA ASP B 140 -7.081 4.124 6.985 1.00 0.00 H +ATOM 380 HB2 ASP B 140 -6.662 6.395 6.129 1.00 0.00 H +ATOM 381 HB3 ASP B 140 -7.942 6.190 4.920 1.00 0.00 H +ATOM 382 N LEU B 141 -9.162 3.548 4.463 1.00 0.00 N +ATOM 383 CA LEU B 141 -10.384 2.856 4.080 1.00 0.00 C +ATOM 384 C LEU B 141 -10.315 1.394 4.529 1.00 0.00 C +ATOM 385 O LEU B 141 -11.290 0.855 5.052 1.00 0.00 O +ATOM 386 CB LEU B 141 -10.628 3.005 2.568 1.00 0.00 C +ATOM 387 CG LEU B 141 -12.032 2.560 2.120 1.00 0.00 C +ATOM 388 CD1 LEU B 141 -13.129 3.436 2.733 1.00 0.00 C +ATOM 389 CD2 LEU B 141 -12.138 2.645 0.592 1.00 0.00 C +ATOM 390 H LEU B 141 -8.593 3.953 3.730 1.00 0.00 H +ATOM 391 HA LEU B 141 -11.193 3.349 4.611 1.00 0.00 H +ATOM 392 HB2 LEU B 141 -10.500 4.053 2.292 1.00 0.00 H +ATOM 393 HB3 LEU B 141 -9.882 2.420 2.030 1.00 0.00 H +ATOM 394 HG LEU B 141 -12.211 1.526 2.417 1.00 0.00 H +ATOM 395 HD11 LEU B 141 -12.873 4.489 2.616 1.00 0.00 H +ATOM 396 HD12 LEU B 141 -14.079 3.251 2.231 1.00 0.00 H +ATOM 397 HD13 LEU B 141 -13.249 3.199 3.788 1.00 0.00 H +ATOM 398 HD21 LEU B 141 -11.336 2.074 0.126 1.00 0.00 H +ATOM 399 HD22 LEU B 141 -13.095 2.235 0.265 1.00 0.00 H +ATOM 400 HD23 LEU B 141 -12.072 3.685 0.274 1.00 0.00 H +ATOM 401 N SER B 142 -9.169 0.739 4.325 1.00 0.00 N +ATOM 402 CA SER B 142 -8.969 -0.647 4.729 1.00 0.00 C +ATOM 403 C SER B 142 -9.007 -0.782 6.253 1.00 0.00 C +ATOM 404 O SER B 142 -9.633 -1.692 6.783 1.00 0.00 O +ATOM 405 CB SER B 142 -7.639 -1.160 4.171 1.00 0.00 C +ATOM 406 OG SER B 142 -7.622 -0.999 2.766 1.00 0.00 O +ATOM 407 H SER B 142 -8.405 1.214 3.850 1.00 0.00 H +ATOM 408 HA SER B 142 -9.772 -1.261 4.321 1.00 0.00 H +ATOM 409 HB2 SER B 142 -6.811 -0.606 4.616 1.00 0.00 H +ATOM 410 HB3 SER B 142 -7.530 -2.216 4.423 1.00 0.00 H +ATOM 411 HG SER B 142 -6.754 -1.231 2.430 1.00 0.00 H +ATOM 412 N SER B 143 -8.313 0.109 6.961 1.00 0.00 N +ATOM 413 CA SER B 143 -8.248 0.081 8.411 1.00 0.00 C +ATOM 414 C SER B 143 -9.603 0.390 9.050 1.00 0.00 C +ATOM 415 O SER B 143 -9.940 -0.174 10.087 1.00 0.00 O +ATOM 416 CB SER B 143 -7.201 1.089 8.893 1.00 0.00 C +ATOM 417 OG SER B 143 -5.946 0.821 8.295 1.00 0.00 O +ATOM 418 H SER B 143 -7.779 0.824 6.479 1.00 0.00 H +ATOM 419 HA SER B 143 -7.942 -0.915 8.727 1.00 0.00 H +ATOM 420 HB2 SER B 143 -7.523 2.100 8.635 1.00 0.00 H +ATOM 421 HB3 SER B 143 -7.114 1.016 9.979 1.00 0.00 H +ATOM 422 HG SER B 143 -5.312 1.476 8.599 1.00 0.00 H +ATOM 423 N ASP B 144 -10.346 1.329 8.463 1.00 0.00 N +ATOM 424 CA ASP B 144 -11.605 1.807 9.011 1.00 0.00 C +ATOM 425 C ASP B 144 -12.760 0.867 8.687 1.00 0.00 C +ATOM 426 O ASP B 144 -13.482 0.426 9.579 1.00 0.00 O +ATOM 427 CB ASP B 144 -11.862 3.233 8.502 1.00 0.00 C +ATOM 428 CG ASP B 144 -13.052 3.916 9.171 1.00 0.00 C +ATOM 429 OD1 ASP B 144 -13.362 3.551 10.326 1.00 0.00 O +ATOM 430 OD2 ASP B 144 -13.601 4.834 8.526 1.00 0.00 O +ATOM 431 H ASP B 144 -9.995 1.771 7.619 1.00 0.00 H +ATOM 432 HA ASP B 144 -11.505 1.846 10.093 1.00 0.00 H +ATOM 433 HB2 ASP B 144 -10.984 3.847 8.706 1.00 0.00 H +ATOM 434 HB3 ASP B 144 -12.028 3.214 7.424 1.00 0.00 H +ATOM 435 N ALA B 145 -12.940 0.561 7.403 1.00 0.00 N +ATOM 436 CA ALA B 145 -14.036 -0.282 6.958 1.00 0.00 C +ATOM 437 C ALA B 145 -13.666 -1.765 7.075 1.00 0.00 C +ATOM 438 O ALA B 145 -12.678 -2.179 6.476 1.00 0.00 O +ATOM 439 CB ALA B 145 -14.423 0.090 5.529 1.00 0.00 C +ATOM 440 H ALA B 145 -12.284 0.916 6.715 1.00 0.00 H +ATOM 441 HA ALA B 145 -14.904 -0.051 7.564 1.00 0.00 H +ATOM 442 HB1 ALA B 145 -14.564 1.167 5.450 1.00 0.00 H +ATOM 443 HB2 ALA B 145 -13.641 -0.211 4.841 1.00 0.00 H +ATOM 444 HB3 ALA B 145 -15.351 -0.415 5.269 1.00 0.00 H +ATOM 445 N PRO B 146 -14.440 -2.581 7.815 1.00 0.00 N +ATOM 446 CA PRO B 146 -14.186 -4.007 7.980 1.00 0.00 C +ATOM 447 C PRO B 146 -13.779 -4.700 6.674 1.00 0.00 C +ATOM 448 O PRO B 146 -14.333 -5.732 6.299 1.00 0.00 O +ATOM 449 CB PRO B 146 -15.476 -4.581 8.582 1.00 0.00 C +ATOM 450 CG PRO B 146 -16.021 -3.409 9.396 1.00 0.00 C +ATOM 451 CD PRO B 146 -15.628 -2.190 8.560 1.00 0.00 C +ATOM 452 HA PRO B 146 -13.376 -4.122 8.701 1.00 0.00 H +ATOM 453 HB2 PRO B 146 -16.193 -4.822 7.796 1.00 0.00 H +ATOM 454 HB3 PRO B 146 -15.286 -5.462 9.196 1.00 0.00 H +ATOM 455 HG2 PRO B 146 -17.099 -3.476 9.551 1.00 0.00 H +ATOM 456 HG3 PRO B 146 -15.505 -3.370 10.356 1.00 0.00 H +ATOM 457 HD2 PRO B 146 -16.423 -1.934 7.857 1.00 0.00 H +ATOM 458 HD3 PRO B 146 -15.437 -1.352 9.232 1.00 0.00 H +TER 459 PRO B 146 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_PUMA_2M04B_2M04B/state_a.pdb b/bench/main_benchmark/structures/SFB_ID_PUMA_2M04B_2M04B/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..16d8b674eaa3677ff5cc0d325e40aeb0c726e8ed --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_PUMA_2M04B_2M04B/state_a.pdb @@ -0,0 +1,416 @@ +MODEL 1 +ATOM 1 N GLU B 68 -24.914 -11.429 -1.946 1.00 3.02 N +ATOM 2 CA GLU B 68 -24.209 -10.826 -0.813 1.00 42.22 C +ATOM 3 C GLU B 68 -23.745 -11.858 0.230 1.00 42.42 C +ATOM 4 O GLU B 68 -24.103 -13.036 0.189 1.00 31.53 O +ATOM 5 CB GLU B 68 -25.090 -9.758 -0.140 1.00 31.44 C +ATOM 6 CG GLU B 68 -26.364 -10.327 0.516 1.00 22.14 C +ATOM 7 CD GLU B 68 -27.676 -9.901 -0.162 1.00 14.32 C +ATOM 8 OE1 GLU B 68 -27.695 -9.760 -1.415 1.00 4.43 O +ATOM 9 OE2 GLU B 68 -28.692 -9.830 0.555 1.00 3.42 O +ATOM 10 H1 GLU B 68 -25.854 -11.757 -1.760 1.00 0.00 H +ATOM 11 HA GLU B 68 -23.319 -10.326 -1.197 1.00 0.00 H +ATOM 12 HB2 GLU B 68 -24.504 -9.279 0.646 1.00 0.00 H +ATOM 13 HB3 GLU B 68 -25.330 -8.977 -0.862 1.00 0.00 H +ATOM 14 HG2 GLU B 68 -26.321 -11.418 0.547 1.00 0.00 H +ATOM 15 HG3 GLU B 68 -26.375 -9.990 1.556 1.00 0.00 H +ATOM 16 N GLU B 69 -23.018 -11.393 1.244 1.00 60.35 N +ATOM 17 CA GLU B 69 -22.503 -12.246 2.313 1.00 71.03 C +ATOM 18 C GLU B 69 -23.316 -12.051 3.597 1.00 51.41 C +ATOM 19 O GLU B 69 -23.186 -11.050 4.305 1.00 42.23 O +ATOM 20 CB GLU B 69 -21.007 -11.987 2.508 1.00 21.40 C +ATOM 21 CG GLU B 69 -20.137 -13.246 2.469 1.00 31.21 C +ATOM 22 CD GLU B 69 -20.403 -14.157 3.668 1.00 63.52 C +ATOM 23 OE1 GLU B 69 -21.555 -14.516 3.897 1.00 50.15 O +ATOM 24 OE2 GLU B 69 -19.440 -14.229 4.502 1.00 22.11 O +ATOM 25 H GLU B 69 -22.832 -10.403 1.298 1.00 0.00 H +ATOM 26 HA GLU B 69 -22.609 -13.291 2.018 1.00 0.00 H +ATOM 27 HB2 GLU B 69 -20.662 -11.333 1.720 1.00 0.00 H +ATOM 28 HB3 GLU B 69 -20.851 -11.462 3.436 1.00 0.00 H +ATOM 29 HG2 GLU B 69 -20.340 -13.794 1.547 1.00 0.00 H +ATOM 30 HG3 GLU B 69 -19.093 -12.932 2.448 1.00 0.00 H +ATOM 31 N GLN B 70 -24.308 -12.915 3.806 1.00 51.52 N +ATOM 32 CA GLN B 70 -25.107 -12.887 5.030 1.00 73.51 C +ATOM 33 C GLN B 70 -24.316 -13.379 6.252 1.00 43.52 C +ATOM 34 O GLN B 70 -24.548 -12.880 7.356 1.00 12.13 O +ATOM 35 CB GLN B 70 -26.368 -13.735 4.820 1.00 74.14 C +ATOM 36 CG GLN B 70 -27.357 -13.594 5.988 1.00 42.44 C +ATOM 37 CD GLN B 70 -28.497 -14.602 5.939 1.00 45.03 C +ATOM 38 OE1 GLN B 70 -28.433 -15.681 5.377 1.00 74.04 O +ATOM 39 NE2 GLN B 70 -29.599 -14.311 6.592 1.00 4.04 N +ATOM 40 H GLN B 70 -24.400 -13.691 3.167 1.00 0.00 H +ATOM 41 HA GLN B 70 -25.401 -11.856 5.227 1.00 0.00 H +ATOM 42 HB2 GLN B 70 -26.866 -13.410 3.905 1.00 0.00 H +ATOM 43 HB3 GLN B 70 -26.072 -14.778 4.707 1.00 0.00 H +ATOM 44 HG2 GLN B 70 -26.855 -13.733 6.943 1.00 0.00 H +ATOM 45 HG3 GLN B 70 -27.770 -12.584 5.970 1.00 0.00 H +ATOM 46 HE21 GLN B 70 -29.665 -13.455 7.104 1.00 0.00 H +ATOM 47 HE22 GLN B 70 -30.300 -15.026 6.577 1.00 0.00 H +ATOM 48 N TRP B 71 -23.395 -14.325 6.057 1.00 23.30 N +ATOM 49 CA TRP B 71 -22.539 -14.866 7.113 1.00 45.11 C +ATOM 50 C TRP B 71 -21.394 -13.917 7.495 1.00 33.52 C +ATOM 51 O TRP B 71 -20.868 -14.005 8.602 1.00 1.33 O +ATOM 52 CB TRP B 71 -21.968 -16.202 6.646 1.00 62.20 C +ATOM 53 CG TRP B 71 -21.822 -17.210 7.730 1.00 53.25 C +ATOM 54 CD1 TRP B 71 -22.754 -18.109 8.113 1.00 23.33 C +ATOM 55 CD2 TRP B 71 -20.685 -17.408 8.612 1.00 54.01 C +ATOM 56 NE1 TRP B 71 -22.278 -18.825 9.192 1.00 70.13 N +ATOM 57 CE2 TRP B 71 -20.999 -18.450 9.524 1.00 50.54 C +ATOM 58 CE3 TRP B 71 -19.430 -16.791 8.745 1.00 54.40 C +ATOM 59 CZ2 TRP B 71 -20.104 -18.876 10.508 1.00 51.41 C +ATOM 60 CZ3 TRP B 71 -18.542 -17.180 9.765 1.00 31.22 C +ATOM 61 CH2 TRP B 71 -18.870 -18.229 10.629 1.00 50.40 C +ATOM 62 H TRP B 71 -23.103 -14.546 5.105 1.00 0.00 H +ATOM 63 HA TRP B 71 -23.136 -15.043 8.009 1.00 0.00 H +ATOM 64 HB2 TRP B 71 -22.598 -16.627 5.865 1.00 0.00 H +ATOM 65 HB3 TRP B 71 -20.979 -16.012 6.231 1.00 0.00 H +ATOM 66 HD1 TRP B 71 -23.719 -18.221 7.645 1.00 0.00 H +ATOM 67 HE1 TRP B 71 -22.796 -19.529 9.692 1.00 0.00 H +ATOM 68 HE3 TRP B 71 -19.199 -15.976 8.084 1.00 0.00 H +ATOM 69 HZ2 TRP B 71 -20.383 -19.629 11.225 1.00 0.00 H +ATOM 70 HZ3 TRP B 71 -17.624 -16.652 9.941 1.00 0.00 H +ATOM 71 HH2 TRP B 71 -18.206 -18.486 11.435 1.00 0.00 H +ATOM 72 N ALA B 72 -21.180 -12.853 6.711 1.00 22.11 N +ATOM 73 CA ALA B 72 -20.191 -11.820 7.019 1.00 31.31 C +ATOM 74 C ALA B 72 -20.402 -11.149 8.378 1.00 35.33 C +ATOM 75 O ALA B 72 -19.462 -10.588 8.945 1.00 63.13 O +ATOM 76 CB ALA B 72 -20.211 -10.737 5.949 1.00 43.53 C +ATOM 77 H ALA B 72 -21.616 -12.848 5.800 1.00 0.00 H +ATOM 78 HA ALA B 72 -19.212 -12.293 7.017 1.00 0.00 H +ATOM 79 HB1 ALA B 72 -21.230 -10.457 5.704 1.00 0.00 H +ATOM 80 HB2 ALA B 72 -19.697 -11.106 5.073 1.00 0.00 H +ATOM 81 HB3 ALA B 72 -19.680 -9.858 6.312 1.00 0.00 H +ATOM 82 N ARG B 73 -21.641 -11.199 8.887 1.00 63.30 N +ATOM 83 CA ARG B 73 -21.992 -10.760 10.240 1.00 2.23 C +ATOM 84 C ARG B 73 -21.031 -11.290 11.294 1.00 0.11 C +ATOM 85 O ARG B 73 -20.518 -10.495 12.071 1.00 33.20 O +ATOM 86 CB ARG B 73 -23.423 -11.209 10.570 1.00 70.12 C +ATOM 87 CG ARG B 73 -24.396 -10.040 10.468 1.00 11.32 C +ATOM 88 CD ARG B 73 -25.816 -10.571 10.258 1.00 64.13 C +ATOM 89 NE ARG B 73 -26.811 -9.482 10.314 1.00 32.40 N +ATOM 90 CZ ARG B 73 -26.986 -8.555 9.391 1.00 45.24 C +ATOM 91 NH1 ARG B 73 -26.290 -8.538 8.290 1.00 11.33 N +ATOM 92 NH2 ARG B 73 -27.881 -7.620 9.561 1.00 71.04 N +ATOM 93 H ARG B 73 -22.300 -11.780 8.384 1.00 0.00 H +ATOM 94 HA ARG B 73 -21.896 -9.674 10.285 1.00 0.00 H +ATOM 95 HB2 ARG B 73 -23.725 -12.022 9.905 1.00 0.00 H +ATOM 96 HB3 ARG B 73 -23.471 -11.589 11.590 1.00 0.00 H +ATOM 97 HG2 ARG B 73 -24.346 -9.460 11.392 1.00 0.00 H +ATOM 98 HG3 ARG B 73 -24.115 -9.399 9.633 1.00 0.00 H +ATOM 99 HD2 ARG B 73 -25.865 -11.076 9.290 1.00 0.00 H +ATOM 100 HD3 ARG B 73 -26.035 -11.311 11.031 1.00 0.00 H +ATOM 101 HE ARG B 73 -27.357 -9.432 11.155 1.00 0.00 H +ATOM 102 HH11 ARG B 73 -25.573 -9.242 8.175 1.00 0.00 H +ATOM 103 HH12 ARG B 73 -26.386 -7.822 7.596 1.00 0.00 H +ATOM 104 HH21 ARG B 73 -28.420 -7.598 10.405 1.00 0.00 H +ATOM 105 HH22 ARG B 73 -27.990 -6.916 8.857 1.00 0.00 H +ATOM 106 N GLU B 74 -20.614 -12.544 11.179 1.00 73.11 N +ATOM 107 CA GLU B 74 -19.685 -13.158 12.121 1.00 35.13 C +ATOM 108 C GLU B 74 -18.227 -12.976 11.692 1.00 45.52 C +ATOM 109 O GLU B 74 -17.398 -12.618 12.530 1.00 31.31 O +ATOM 110 CB GLU B 74 -20.020 -14.645 12.251 1.00 60.35 C +ATOM 111 CG GLU B 74 -21.229 -14.890 13.169 1.00 65.42 C +ATOM 112 CD GLU B 74 -22.523 -14.132 12.813 1.00 0.23 C +ATOM 113 OE1 GLU B 74 -23.129 -14.413 11.739 1.00 15.33 O +ATOM 114 OE2 GLU B 74 -22.872 -13.180 13.541 1.00 51.03 O +ATOM 115 H GLU B 74 -21.049 -13.143 10.483 1.00 0.00 H +ATOM 116 HA GLU B 74 -19.798 -12.698 13.102 1.00 0.00 H +ATOM 117 HB2 GLU B 74 -20.198 -15.072 11.263 1.00 0.00 H +ATOM 118 HB3 GLU B 74 -19.155 -15.151 12.685 1.00 0.00 H +ATOM 119 HG2 GLU B 74 -21.446 -15.953 13.155 1.00 0.00 H +ATOM 120 HG3 GLU B 74 -20.925 -14.613 14.185 1.00 0.00 H +ATOM 121 N ILE B 75 -17.966 -12.932 10.379 1.00 41.35 N +ATOM 122 CA ILE B 75 -16.628 -12.665 9.811 1.00 22.34 C +ATOM 123 C ILE B 75 -16.064 -11.326 10.289 1.00 70.11 C +ATOM 124 O ILE B 75 -14.855 -11.185 10.444 1.00 11.43 O +ATOM 125 CB ILE B 75 -16.652 -12.682 8.264 1.00 71.10 C +ATOM 126 CG1 ILE B 75 -17.248 -13.995 7.719 1.00 33.22 C +ATOM 127 CG2 ILE B 75 -15.280 -12.409 7.605 1.00 15.34 C +ATOM 128 CD1 ILE B 75 -16.428 -15.251 8.033 1.00 22.12 C +ATOM 129 H ILE B 75 -18.740 -13.101 9.749 1.00 0.00 H +ATOM 130 HA ILE B 75 -15.953 -13.442 10.166 1.00 0.00 H +ATOM 131 HB ILE B 75 -17.306 -11.864 7.959 1.00 0.00 H +ATOM 132 HG12 ILE B 75 -18.251 -14.104 8.120 1.00 0.00 H +ATOM 133 HG13 ILE B 75 -17.354 -13.942 6.643 1.00 0.00 H +ATOM 134 HG21 ILE B 75 -14.840 -13.293 7.163 1.00 0.00 H +ATOM 135 HG22 ILE B 75 -15.404 -11.663 6.825 1.00 0.00 H +ATOM 136 HG23 ILE B 75 -14.550 -12.049 8.315 1.00 0.00 H +ATOM 137 HD11 ILE B 75 -15.454 -15.221 7.559 1.00 0.00 H +ATOM 138 HD12 ILE B 75 -16.281 -15.335 9.106 1.00 0.00 H +ATOM 139 HD13 ILE B 75 -16.948 -16.123 7.643 1.00 0.00 H +ATOM 140 N GLY B 76 -16.923 -10.356 10.598 1.00 11.45 N +ATOM 141 CA GLY B 76 -16.484 -9.090 11.157 1.00 15.14 C +ATOM 142 C GLY B 76 -16.773 -8.985 12.649 1.00 2.23 C +ATOM 143 O GLY B 76 -15.845 -8.741 13.422 1.00 53.35 O +ATOM 144 H GLY B 76 -17.912 -10.531 10.454 1.00 0.00 H +ATOM 145 HA2 GLY B 76 -15.410 -8.974 11.030 1.00 0.00 H +ATOM 146 HA3 GLY B 76 -16.980 -8.289 10.616 1.00 0.00 H +ATOM 147 N ALA B 77 -17.996 -9.293 13.096 1.00 64.43 N +ATOM 148 CA ALA B 77 -18.375 -9.140 14.500 1.00 42.22 C +ATOM 149 C ALA B 77 -17.600 -10.079 15.421 1.00 42.12 C +ATOM 150 O ALA B 77 -17.065 -9.646 16.443 1.00 14.02 O +ATOM 151 CB ALA B 77 -19.872 -9.374 14.690 1.00 21.11 C +ATOM 152 H ALA B 77 -18.725 -9.527 12.429 1.00 0.00 H +ATOM 153 HA ALA B 77 -18.168 -8.116 14.793 1.00 0.00 H +ATOM 154 HB1 ALA B 77 -20.157 -9.086 15.699 1.00 0.00 H +ATOM 155 HB2 ALA B 77 -20.106 -10.429 14.539 1.00 0.00 H +ATOM 156 HB3 ALA B 77 -20.430 -8.772 13.972 1.00 0.00 H +ATOM 157 N GLN B 78 -17.614 -11.375 15.116 1.00 11.03 N +ATOM 158 CA GLN B 78 -16.872 -12.392 15.854 1.00 74.05 C +ATOM 159 C GLN B 78 -15.359 -12.165 15.801 1.00 33.34 C +ATOM 160 O GLN B 78 -14.709 -12.254 16.838 1.00 13.32 O +ATOM 161 CB GLN B 78 -17.236 -13.780 15.309 1.00 74.42 C +ATOM 162 CG GLN B 78 -17.541 -14.785 16.424 1.00 61.44 C +ATOM 163 CD GLN B 78 -16.359 -15.683 16.795 1.00 2.32 C +ATOM 164 OE1 GLN B 78 -15.671 -16.248 15.976 1.00 72.13 O +ATOM 165 NE2 GLN B 78 -16.014 -15.801 18.052 1.00 70.55 N +ATOM 166 H GLN B 78 -18.058 -11.663 14.248 1.00 0.00 H +ATOM 167 HA GLN B 78 -17.170 -12.324 16.897 1.00 0.00 H +ATOM 168 HB2 GLN B 78 -18.127 -13.712 14.687 1.00 0.00 H +ATOM 169 HB3 GLN B 78 -16.440 -14.140 14.663 1.00 0.00 H +ATOM 170 HG2 GLN B 78 -17.900 -14.267 17.309 1.00 0.00 H +ATOM 171 HG3 GLN B 78 -18.373 -15.397 16.089 1.00 0.00 H +ATOM 172 HE21 GLN B 78 -16.551 -15.401 18.781 1.00 0.00 H +ATOM 173 HE22 GLN B 78 -15.232 -16.414 18.230 1.00 0.00 H +ATOM 174 N LEU B 79 -14.872 -11.558 14.717 1.00 13.12 N +ATOM 175 CA LEU B 79 -13.464 -11.201 14.580 1.00 44.14 C +ATOM 176 C LEU B 79 -13.094 -10.066 15.519 1.00 72.52 C +ATOM 177 O LEU B 79 -12.181 -10.185 16.333 1.00 52.11 O +ATOM 178 CB LEU B 79 -13.202 -10.796 13.122 1.00 12.44 C +ATOM 179 CG LEU B 79 -11.787 -11.038 12.584 1.00 13.31 C +ATOM 180 CD1 LEU B 79 -10.714 -10.400 13.455 1.00 11.42 C +ATOM 181 CD2 LEU B 79 -11.489 -12.527 12.507 1.00 33.53 C +ATOM 182 H LEU B 79 -15.487 -11.410 13.926 1.00 0.00 H +ATOM 183 HA LEU B 79 -12.871 -12.072 14.852 1.00 0.00 H +ATOM 184 HB2 LEU B 79 -13.874 -11.383 12.514 1.00 0.00 H +ATOM 185 HB3 LEU B 79 -13.448 -9.744 12.969 1.00 0.00 H +ATOM 186 HG LEU B 79 -11.722 -10.612 11.583 1.00 0.00 H +ATOM 187 HD11 LEU B 79 -10.411 -11.101 14.221 1.00 0.00 H +ATOM 188 HD12 LEU B 79 -11.106 -9.512 13.940 1.00 0.00 H +ATOM 189 HD13 LEU B 79 -9.846 -10.152 12.848 1.00 0.00 H +ATOM 190 HD21 LEU B 79 -12.245 -13.018 11.893 1.00 0.00 H +ATOM 191 HD22 LEU B 79 -11.509 -12.960 13.504 1.00 0.00 H +ATOM 192 HD23 LEU B 79 -10.505 -12.691 12.076 1.00 0.00 H +ATOM 193 N ARG B 80 -13.869 -8.979 15.492 1.00 52.23 N +ATOM 194 CA ARG B 80 -13.626 -7.852 16.385 1.00 71.11 C +ATOM 195 C ARG B 80 -13.859 -8.216 17.838 1.00 74.25 C +ATOM 196 O ARG B 80 -13.464 -7.424 18.675 1.00 71.22 O +ATOM 197 CB ARG B 80 -14.453 -6.631 15.982 1.00 72.55 C +ATOM 198 CG ARG B 80 -15.957 -6.829 16.180 1.00 72.31 C +ATOM 199 CD ARG B 80 -16.726 -5.525 16.326 1.00 51.50 C +ATOM 200 NE ARG B 80 -18.138 -5.774 16.623 1.00 51.22 N +ATOM 201 CZ ARG B 80 -18.599 -6.084 17.816 1.00 14.43 C +ATOM 202 NH1 ARG B 80 -17.805 -6.194 18.857 1.00 73.43 N +ATOM 203 NH2 ARG B 80 -19.878 -6.250 17.994 1.00 71.14 N +ATOM 204 H ARG B 80 -14.640 -8.951 14.825 1.00 0.00 H +ATOM 205 HA ARG B 80 -12.571 -7.605 16.304 1.00 0.00 H +ATOM 206 HB2 ARG B 80 -14.134 -5.780 16.584 1.00 0.00 H +ATOM 207 HB3 ARG B 80 -14.252 -6.422 14.934 1.00 0.00 H +ATOM 208 HG2 ARG B 80 -16.342 -7.386 15.344 1.00 0.00 H +ATOM 209 HG3 ARG B 80 -16.148 -7.401 17.078 1.00 0.00 H +ATOM 210 HD2 ARG B 80 -16.266 -4.972 17.139 1.00 0.00 H +ATOM 211 HD3 ARG B 80 -16.670 -4.931 15.420 1.00 0.00 H +ATOM 212 HE ARG B 80 -18.767 -5.734 15.814 1.00 0.00 H +ATOM 213 HH11 ARG B 80 -16.814 -6.083 18.688 1.00 0.00 H +ATOM 214 HH12 ARG B 80 -18.112 -6.343 19.794 1.00 0.00 H +ATOM 215 HH21 ARG B 80 -20.448 -6.136 17.164 1.00 0.00 H +ATOM 216 HH22 ARG B 80 -20.264 -6.253 18.910 1.00 0.00 H +ATOM 217 N ARG B 81 -14.682 -9.235 18.115 1.00 24.21 N +ATOM 218 CA ARG B 81 -15.106 -9.638 19.456 1.00 63.31 C +ATOM 219 C ARG B 81 -13.914 -9.969 20.333 1.00 62.01 C +ATOM 220 O ARG B 81 -13.790 -9.388 21.398 1.00 21.14 O +ATOM 221 CB ARG B 81 -16.040 -10.851 19.352 1.00 5.15 C +ATOM 222 CG ARG B 81 -16.665 -11.205 20.698 1.00 51.40 C +ATOM 223 CD ARG B 81 -18.150 -11.504 20.562 1.00 24.41 C +ATOM 224 NE ARG B 81 -18.910 -10.286 20.245 1.00 33.14 N +ATOM 225 CZ ARG B 81 -20.209 -10.248 20.037 1.00 11.23 C +ATOM 226 NH1 ARG B 81 -20.948 -11.314 20.146 1.00 14.20 N +ATOM 227 NH2 ARG B 81 -20.791 -9.123 19.743 1.00 62.21 N +ATOM 228 H ARG B 81 -15.081 -9.723 17.318 1.00 0.00 H +ATOM 229 HA ARG B 81 -15.614 -8.801 19.932 1.00 0.00 H +ATOM 230 HB2 ARG B 81 -16.813 -10.657 18.617 1.00 0.00 H +ATOM 231 HB3 ARG B 81 -15.483 -11.725 19.022 1.00 0.00 H +ATOM 232 HG2 ARG B 81 -16.174 -12.103 21.068 1.00 0.00 H +ATOM 233 HG3 ARG B 81 -16.530 -10.390 21.410 1.00 0.00 H +ATOM 234 HD2 ARG B 81 -18.280 -12.236 19.762 1.00 0.00 H +ATOM 235 HD3 ARG B 81 -18.503 -11.924 21.506 1.00 0.00 H +ATOM 236 HE ARG B 81 -18.367 -9.455 20.082 1.00 0.00 H +ATOM 237 HH11 ARG B 81 -20.476 -12.191 20.293 1.00 0.00 H +ATOM 238 HH12 ARG B 81 -21.914 -11.313 19.884 1.00 0.00 H +ATOM 239 HH21 ARG B 81 -20.211 -8.338 19.536 1.00 0.00 H +ATOM 240 HH22 ARG B 81 -21.767 -9.130 19.513 1.00 0.00 H +ATOM 241 N MET B 82 -13.161 -10.989 19.948 1.00 33.22 N +ATOM 242 CA MET B 82 -11.929 -11.381 20.621 1.00 62.53 C +ATOM 243 C MET B 82 -10.857 -10.306 20.535 1.00 63.14 C +ATOM 244 O MET B 82 -10.468 -9.794 21.568 1.00 70.20 O +ATOM 245 CB MET B 82 -11.421 -12.675 20.003 1.00 23.14 C +ATOM 246 CG MET B 82 -11.262 -12.644 18.483 1.00 41.22 C +ATOM 247 SD MET B 82 -11.863 -14.147 17.694 1.00 52.23 S +ATOM 248 CE MET B 82 -10.396 -14.559 16.736 1.00 30.31 C +ATOM 249 H MET B 82 -13.405 -11.478 19.095 1.00 0.00 H +ATOM 250 HA MET B 82 -12.118 -11.553 21.682 1.00 0.00 H +ATOM 251 HB2 MET B 82 -10.442 -12.877 20.405 1.00 0.00 H +ATOM 252 HB3 MET B 82 -12.080 -13.489 20.297 1.00 0.00 H +ATOM 253 HG2 MET B 82 -11.802 -11.809 18.051 1.00 0.00 H +ATOM 254 HG3 MET B 82 -10.205 -12.500 18.266 1.00 0.00 H +ATOM 255 HE1 MET B 82 -10.507 -15.559 16.325 1.00 0.00 H +ATOM 256 HE2 MET B 82 -10.281 -13.829 15.935 1.00 0.00 H +ATOM 257 HE3 MET B 82 -9.511 -14.554 17.366 1.00 0.00 H +ATOM 258 N ALA B 83 -10.689 -9.705 19.353 1.00 35.40 N +ATOM 259 CA ALA B 83 -9.760 -8.602 19.178 1.00 12.14 C +ATOM 260 C ALA B 83 -10.032 -7.433 20.132 1.00 75.14 C +ATOM 261 O ALA B 83 -9.088 -6.783 20.543 1.00 14.22 O +ATOM 262 CB ALA B 83 -9.829 -8.118 17.729 1.00 24.43 C +ATOM 263 H ALA B 83 -11.127 -10.095 18.533 1.00 0.00 H +ATOM 264 HA ALA B 83 -8.753 -8.967 19.399 1.00 0.00 H +ATOM 265 HB1 ALA B 83 -9.968 -7.050 17.734 1.00 0.00 H +ATOM 266 HB2 ALA B 83 -8.910 -8.326 17.210 1.00 0.00 H +ATOM 267 HB3 ALA B 83 -10.623 -8.599 17.177 1.00 0.00 H +ATOM 268 N ASP B 84 -11.290 -7.179 20.501 1.00 1.34 N +ATOM 269 CA ASP B 84 -11.693 -6.166 21.487 1.00 4.42 C +ATOM 270 C ASP B 84 -10.968 -6.288 22.832 1.00 73.51 C +ATOM 271 O ASP B 84 -10.855 -5.312 23.567 1.00 34.14 O +ATOM 272 CB ASP B 84 -13.200 -6.294 21.750 1.00 10.00 C +ATOM 273 CG ASP B 84 -13.825 -5.141 22.516 1.00 64.02 C +ATOM 274 OD1 ASP B 84 -13.410 -4.023 22.113 1.00 44.42 O +ATOM 275 OD2 ASP B 84 -15.000 -5.343 22.866 1.00 64.13 O +ATOM 276 H ASP B 84 -12.004 -7.819 20.189 1.00 0.00 H +ATOM 277 HA ASP B 84 -11.466 -5.182 21.077 1.00 0.00 H +ATOM 278 HB2 ASP B 84 -13.739 -6.366 20.810 1.00 0.00 H +ATOM 279 HB3 ASP B 84 -13.375 -7.193 22.338 1.00 0.00 H +ATOM 280 N ASP B 85 -10.434 -7.470 23.138 1.00 33.23 N +ATOM 281 CA ASP B 85 -9.566 -7.686 24.284 1.00 72.41 C +ATOM 282 C ASP B 85 -8.364 -6.744 24.353 1.00 4.31 C +ATOM 283 O ASP B 85 -7.951 -6.345 25.434 1.00 11.42 O +ATOM 284 CB ASP B 85 -9.044 -9.126 24.289 1.00 5.15 C +ATOM 285 CG ASP B 85 -8.360 -9.386 25.621 1.00 5.22 C +ATOM 286 OD1 ASP B 85 -8.995 -8.907 26.579 1.00 4.13 O +ATOM 287 OD2 ASP B 85 -7.705 -10.447 25.687 1.00 10.05 O +ATOM 288 H ASP B 85 -10.485 -8.228 22.466 1.00 0.00 H +ATOM 289 HA ASP B 85 -10.169 -7.513 25.174 1.00 0.00 H +ATOM 290 HB2 ASP B 85 -9.877 -9.824 24.196 1.00 0.00 H +ATOM 291 HB3 ASP B 85 -8.352 -9.271 23.457 1.00 0.00 H +ATOM 292 N LEU B 86 -7.951 -6.179 23.221 1.00 72.32 N +ATOM 293 CA LEU B 86 -6.945 -5.126 23.215 1.00 4.32 C +ATOM 294 C LEU B 86 -7.208 -3.965 24.172 1.00 74.30 C +ATOM 295 O LEU B 86 -6.246 -3.389 24.675 1.00 73.00 O +ATOM 296 CB LEU B 86 -6.766 -4.581 21.811 1.00 24.31 C +ATOM 297 CG LEU B 86 -8.028 -3.981 21.143 1.00 73.15 C +ATOM 298 CD1 LEU B 86 -8.290 -2.516 21.528 1.00 15.05 C +ATOM 299 CD2 LEU B 86 -7.947 -4.160 19.617 1.00 64.11 C +ATOM 300 H LEU B 86 -8.389 -6.468 22.355 1.00 0.00 H +ATOM 301 HA LEU B 86 -6.013 -5.592 23.527 1.00 0.00 H +ATOM 302 HB2 LEU B 86 -5.985 -3.831 21.878 1.00 0.00 H +ATOM 303 HB3 LEU B 86 -6.384 -5.405 21.235 1.00 0.00 H +ATOM 304 HG LEU B 86 -8.905 -4.530 21.475 1.00 0.00 H +ATOM 305 HD11 LEU B 86 -8.333 -1.843 20.679 1.00 0.00 H +ATOM 306 HD12 LEU B 86 -9.255 -2.449 22.035 1.00 0.00 H +ATOM 307 HD13 LEU B 86 -7.526 -2.153 22.215 1.00 0.00 H +ATOM 308 HD21 LEU B 86 -8.731 -4.837 19.309 1.00 0.00 H +ATOM 309 HD22 LEU B 86 -6.997 -4.580 19.305 1.00 0.00 H +ATOM 310 HD23 LEU B 86 -8.087 -3.228 19.110 1.00 0.00 H +ATOM 311 N ASN B 87 -8.481 -3.620 24.398 1.00 74.30 N +ATOM 312 CA ASN B 87 -8.883 -2.562 25.320 1.00 55.44 C +ATOM 313 C ASN B 87 -8.371 -2.831 26.743 1.00 13.32 C +ATOM 314 O ASN B 87 -8.097 -1.895 27.488 1.00 61.51 O +ATOM 315 CB ASN B 87 -10.418 -2.466 25.315 1.00 21.42 C +ATOM 316 CG ASN B 87 -10.937 -1.403 26.275 1.00 13.42 C +ATOM 317 OD1 ASN B 87 -10.850 -0.208 26.079 1.00 24.41 O +ATOM 318 ND2 ASN B 87 -11.302 -1.787 27.478 1.00 33.40 N +ATOM 319 H ASN B 87 -9.211 -4.168 23.952 1.00 0.00 H +ATOM 320 HA ASN B 87 -8.464 -1.613 24.979 1.00 0.00 H +ATOM 321 HB2 ASN B 87 -10.776 -2.231 24.314 1.00 0.00 H +ATOM 322 HB3 ASN B 87 -10.835 -3.431 25.602 1.00 0.00 H +ATOM 323 HD21 ASN B 87 -11.044 -2.707 27.774 1.00 0.00 H +ATOM 324 HD22 ASN B 87 -11.371 -1.011 28.107 1.00 0.00 H +ATOM 325 N ALA B 88 -8.311 -4.107 27.139 1.00 61.25 N +ATOM 326 CA ALA B 88 -7.746 -4.536 28.415 1.00 11.23 C +ATOM 327 C ALA B 88 -6.266 -4.158 28.582 1.00 3.02 C +ATOM 328 O ALA B 88 -5.841 -3.898 29.702 1.00 72.33 O +ATOM 329 CB ALA B 88 -7.940 -6.049 28.570 1.00 61.53 C +ATOM 330 H ALA B 88 -8.466 -4.839 26.451 1.00 0.00 H +ATOM 331 HA ALA B 88 -8.289 -4.037 29.215 1.00 0.00 H +ATOM 332 HB1 ALA B 88 -8.543 -6.482 27.778 1.00 0.00 H +ATOM 333 HB2 ALA B 88 -6.969 -6.551 28.573 1.00 0.00 H +ATOM 334 HB3 ALA B 88 -8.440 -6.241 29.517 1.00 0.00 H +ATOM 335 N GLN B 89 -5.559 -3.929 27.464 1.00 33.53 N +ATOM 336 CA GLN B 89 -4.168 -3.489 27.436 1.00 21.34 C +ATOM 337 C GLN B 89 -3.257 -4.526 28.096 1.00 54.40 C +ATOM 338 O GLN B 89 -2.766 -4.278 29.191 1.00 20.23 O +ATOM 339 CB GLN B 89 -4.037 -2.104 28.103 1.00 35.35 C +ATOM 340 CG GLN B 89 -2.718 -1.422 27.737 1.00 60.20 C +ATOM 341 CD GLN B 89 -2.394 -0.281 28.701 1.00 11.30 C +ATOM 342 OE1 GLN B 89 -2.177 -0.424 29.900 1.00 23.31 O +ATOM 343 NE2 GLN B 89 -2.496 0.944 28.243 1.00 42.41 N +ATOM 344 H GLN B 89 -6.023 -4.068 26.576 1.00 0.00 H +ATOM 345 HA GLN B 89 -3.867 -3.398 26.392 1.00 0.00 H +ATOM 346 HB2 GLN B 89 -4.871 -1.467 27.809 1.00 0.00 H +ATOM 347 HB3 GLN B 89 -4.078 -2.215 29.187 1.00 0.00 H +ATOM 348 HG2 GLN B 89 -1.894 -2.137 27.747 1.00 0.00 H +ATOM 349 HG3 GLN B 89 -2.811 -1.037 26.720 1.00 0.00 H +ATOM 350 HE21 GLN B 89 -2.647 1.084 27.259 1.00 0.00 H +ATOM 351 HE22 GLN B 89 -2.156 1.664 28.844 1.00 0.00 H +ATOM 352 N TYR B 90 -3.131 -5.721 27.503 1.00 44.44 N +ATOM 353 CA TYR B 90 -2.391 -6.868 28.064 1.00 41.14 C +ATOM 354 C TYR B 90 -3.136 -7.544 29.240 1.00 32.23 C +ATOM 355 O TYR B 90 -3.316 -8.759 29.251 1.00 24.42 O +ATOM 356 CB TYR B 90 -0.939 -6.450 28.436 1.00 11.40 C +ATOM 357 CG TYR B 90 -0.544 -6.733 29.878 1.00 64.22 C +ATOM 358 CD1 TYR B 90 -0.176 -8.039 30.241 1.00 63.13 C +ATOM 359 CD2 TYR B 90 -0.651 -5.739 30.874 1.00 20.35 C +ATOM 360 CE1 TYR B 90 0.147 -8.347 31.573 1.00 42.12 C +ATOM 361 CE2 TYR B 90 -0.364 -6.046 32.214 1.00 12.23 C +ATOM 362 CZ TYR B 90 0.075 -7.337 32.558 1.00 33.22 C +ATOM 363 OH TYR B 90 0.523 -7.563 33.820 1.00 2.25 O +ATOM 364 H TYR B 90 -3.643 -5.888 26.653 1.00 0.00 H +ATOM 365 HA TYR B 90 -2.315 -7.626 27.285 1.00 0.00 H +ATOM 366 HB2 TYR B 90 -0.242 -6.960 27.771 1.00 0.00 H +ATOM 367 HB3 TYR B 90 -0.776 -5.388 28.244 1.00 0.00 H +ATOM 368 HD1 TYR B 90 -0.163 -8.813 29.492 1.00 0.00 H +ATOM 369 HD2 TYR B 90 -0.967 -4.740 30.618 1.00 0.00 H +ATOM 370 HE1 TYR B 90 0.425 -9.358 31.822 1.00 0.00 H +ATOM 371 HE2 TYR B 90 -0.466 -5.299 32.982 1.00 0.00 H +ATOM 372 HH TYR B 90 1.054 -8.355 33.829 1.00 0.00 H +ATOM 373 N GLU B 91 -3.620 -6.753 30.198 1.00 2.12 N +ATOM 374 CA GLU B 91 -4.299 -7.186 31.422 1.00 44.43 C +ATOM 375 C GLU B 91 -5.775 -7.475 31.156 1.00 24.31 C +ATOM 376 O GLU B 91 -6.630 -6.591 31.244 1.00 44.04 O +ATOM 377 CB GLU B 91 -4.136 -6.125 32.532 1.00 42.24 C +ATOM 378 CG GLU B 91 -3.256 -6.601 33.696 1.00 64.43 C +ATOM 379 CD GLU B 91 -4.082 -7.055 34.912 1.00 23.23 C +ATOM 380 OE1 GLU B 91 -4.559 -8.221 34.898 1.00 75.33 O +ATOM 381 OE2 GLU B 91 -4.084 -6.324 35.925 1.00 30.43 O +ATOM 382 H GLU B 91 -3.427 -5.763 30.103 1.00 0.00 H +ATOM 383 HA GLU B 91 -3.845 -8.122 31.751 1.00 0.00 H +ATOM 384 HB2 GLU B 91 -3.706 -5.217 32.104 1.00 0.00 H +ATOM 385 HB3 GLU B 91 -5.102 -5.842 32.948 1.00 0.00 H +ATOM 386 HG2 GLU B 91 -2.599 -7.406 33.364 1.00 0.00 H +ATOM 387 HG3 GLU B 91 -2.623 -5.762 33.996 1.00 0.00 H +ATOM 388 N ARG B 92 -6.064 -8.707 30.741 1.00 64.34 N +ATOM 389 CA ARG B 92 -7.428 -9.158 30.461 1.00 22.35 C +ATOM 390 C ARG B 92 -8.291 -9.358 31.727 1.00 64.32 C +ATOM 391 O ARG B 92 -8.223 -10.493 32.260 1.00 23.54 O +ATOM 392 CB ARG B 92 -7.329 -10.371 29.532 1.00 4.24 C +ATOM 393 CG ARG B 92 -8.669 -10.667 28.863 1.00 30.04 C +ATOM 394 CD ARG B 92 -9.624 -11.486 29.712 1.00 23.50 C +ATOM 395 NE ARG B 92 -10.894 -11.745 29.017 1.00 32.42 N +ATOM 396 CZ ARG B 92 -11.832 -10.834 28.899 1.00 72.11 C +ATOM 397 NH1 ARG B 92 -11.730 -9.660 29.465 1.00 41.04 N +ATOM 398 NH2 ARG B 92 -12.948 -11.137 28.289 1.00 0.43 N +ATOM 399 OXT ARG B 92 -9.394 -8.756 31.694 1.00 0.00 O +ATOM 400 H ARG B 92 -5.295 -9.345 30.576 1.00 0.00 H +ATOM 401 HA ARG B 92 -7.909 -8.362 29.904 1.00 0.00 H +ATOM 402 HB2 ARG B 92 -6.602 -10.168 28.740 1.00 0.00 H +ATOM 403 HB3 ARG B 92 -6.971 -11.218 30.104 1.00 0.00 H +ATOM 404 HG2 ARG B 92 -9.160 -9.721 28.677 1.00 0.00 H +ATOM 405 HG3 ARG B 92 -8.497 -11.198 27.928 1.00 0.00 H +ATOM 406 HD2 ARG B 92 -9.131 -12.405 29.971 1.00 0.00 H +ATOM 407 HD3 ARG B 92 -9.844 -10.963 30.633 1.00 0.00 H +ATOM 408 HE ARG B 92 -10.937 -12.576 28.455 1.00 0.00 H +ATOM 409 HH11 ARG B 92 -10.825 -9.435 29.901 1.00 0.00 H +ATOM 410 HH12 ARG B 92 -12.374 -8.918 29.338 1.00 0.00 H +ATOM 411 HH21 ARG B 92 -13.039 -12.045 27.855 1.00 0.00 H +ATOM 412 HH22 ARG B 92 -13.648 -10.435 28.198 1.00 0.00 H +TER 413 ARG B 92 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_ID_PUMA_2M04B_2M04B/state_b.pdb b/bench/main_benchmark/structures/SFB_ID_PUMA_2M04B_2M04B/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..16d8b674eaa3677ff5cc0d325e40aeb0c726e8ed --- /dev/null +++ b/bench/main_benchmark/structures/SFB_ID_PUMA_2M04B_2M04B/state_b.pdb @@ -0,0 +1,416 @@ +MODEL 1 +ATOM 1 N GLU B 68 -24.914 -11.429 -1.946 1.00 3.02 N +ATOM 2 CA GLU B 68 -24.209 -10.826 -0.813 1.00 42.22 C +ATOM 3 C GLU B 68 -23.745 -11.858 0.230 1.00 42.42 C +ATOM 4 O GLU B 68 -24.103 -13.036 0.189 1.00 31.53 O +ATOM 5 CB GLU B 68 -25.090 -9.758 -0.140 1.00 31.44 C +ATOM 6 CG GLU B 68 -26.364 -10.327 0.516 1.00 22.14 C +ATOM 7 CD GLU B 68 -27.676 -9.901 -0.162 1.00 14.32 C +ATOM 8 OE1 GLU B 68 -27.695 -9.760 -1.415 1.00 4.43 O +ATOM 9 OE2 GLU B 68 -28.692 -9.830 0.555 1.00 3.42 O +ATOM 10 H1 GLU B 68 -25.854 -11.757 -1.760 1.00 0.00 H +ATOM 11 HA GLU B 68 -23.319 -10.326 -1.197 1.00 0.00 H +ATOM 12 HB2 GLU B 68 -24.504 -9.279 0.646 1.00 0.00 H +ATOM 13 HB3 GLU B 68 -25.330 -8.977 -0.862 1.00 0.00 H +ATOM 14 HG2 GLU B 68 -26.321 -11.418 0.547 1.00 0.00 H +ATOM 15 HG3 GLU B 68 -26.375 -9.990 1.556 1.00 0.00 H +ATOM 16 N GLU B 69 -23.018 -11.393 1.244 1.00 60.35 N +ATOM 17 CA GLU B 69 -22.503 -12.246 2.313 1.00 71.03 C +ATOM 18 C GLU B 69 -23.316 -12.051 3.597 1.00 51.41 C +ATOM 19 O GLU B 69 -23.186 -11.050 4.305 1.00 42.23 O +ATOM 20 CB GLU B 69 -21.007 -11.987 2.508 1.00 21.40 C +ATOM 21 CG GLU B 69 -20.137 -13.246 2.469 1.00 31.21 C +ATOM 22 CD GLU B 69 -20.403 -14.157 3.668 1.00 63.52 C +ATOM 23 OE1 GLU B 69 -21.555 -14.516 3.897 1.00 50.15 O +ATOM 24 OE2 GLU B 69 -19.440 -14.229 4.502 1.00 22.11 O +ATOM 25 H GLU B 69 -22.832 -10.403 1.298 1.00 0.00 H +ATOM 26 HA GLU B 69 -22.609 -13.291 2.018 1.00 0.00 H +ATOM 27 HB2 GLU B 69 -20.662 -11.333 1.720 1.00 0.00 H +ATOM 28 HB3 GLU B 69 -20.851 -11.462 3.436 1.00 0.00 H +ATOM 29 HG2 GLU B 69 -20.340 -13.794 1.547 1.00 0.00 H +ATOM 30 HG3 GLU B 69 -19.093 -12.932 2.448 1.00 0.00 H +ATOM 31 N GLN B 70 -24.308 -12.915 3.806 1.00 51.52 N +ATOM 32 CA GLN B 70 -25.107 -12.887 5.030 1.00 73.51 C +ATOM 33 C GLN B 70 -24.316 -13.379 6.252 1.00 43.52 C +ATOM 34 O GLN B 70 -24.548 -12.880 7.356 1.00 12.13 O +ATOM 35 CB GLN B 70 -26.368 -13.735 4.820 1.00 74.14 C +ATOM 36 CG GLN B 70 -27.357 -13.594 5.988 1.00 42.44 C +ATOM 37 CD GLN B 70 -28.497 -14.602 5.939 1.00 45.03 C +ATOM 38 OE1 GLN B 70 -28.433 -15.681 5.377 1.00 74.04 O +ATOM 39 NE2 GLN B 70 -29.599 -14.311 6.592 1.00 4.04 N +ATOM 40 H GLN B 70 -24.400 -13.691 3.167 1.00 0.00 H +ATOM 41 HA GLN B 70 -25.401 -11.856 5.227 1.00 0.00 H +ATOM 42 HB2 GLN B 70 -26.866 -13.410 3.905 1.00 0.00 H +ATOM 43 HB3 GLN B 70 -26.072 -14.778 4.707 1.00 0.00 H +ATOM 44 HG2 GLN B 70 -26.855 -13.733 6.943 1.00 0.00 H +ATOM 45 HG3 GLN B 70 -27.770 -12.584 5.970 1.00 0.00 H +ATOM 46 HE21 GLN B 70 -29.665 -13.455 7.104 1.00 0.00 H +ATOM 47 HE22 GLN B 70 -30.300 -15.026 6.577 1.00 0.00 H +ATOM 48 N TRP B 71 -23.395 -14.325 6.057 1.00 23.30 N +ATOM 49 CA TRP B 71 -22.539 -14.866 7.113 1.00 45.11 C +ATOM 50 C TRP B 71 -21.394 -13.917 7.495 1.00 33.52 C +ATOM 51 O TRP B 71 -20.868 -14.005 8.602 1.00 1.33 O +ATOM 52 CB TRP B 71 -21.968 -16.202 6.646 1.00 62.20 C +ATOM 53 CG TRP B 71 -21.822 -17.210 7.730 1.00 53.25 C +ATOM 54 CD1 TRP B 71 -22.754 -18.109 8.113 1.00 23.33 C +ATOM 55 CD2 TRP B 71 -20.685 -17.408 8.612 1.00 54.01 C +ATOM 56 NE1 TRP B 71 -22.278 -18.825 9.192 1.00 70.13 N +ATOM 57 CE2 TRP B 71 -20.999 -18.450 9.524 1.00 50.54 C +ATOM 58 CE3 TRP B 71 -19.430 -16.791 8.745 1.00 54.40 C +ATOM 59 CZ2 TRP B 71 -20.104 -18.876 10.508 1.00 51.41 C +ATOM 60 CZ3 TRP B 71 -18.542 -17.180 9.765 1.00 31.22 C +ATOM 61 CH2 TRP B 71 -18.870 -18.229 10.629 1.00 50.40 C +ATOM 62 H TRP B 71 -23.103 -14.546 5.105 1.00 0.00 H +ATOM 63 HA TRP B 71 -23.136 -15.043 8.009 1.00 0.00 H +ATOM 64 HB2 TRP B 71 -22.598 -16.627 5.865 1.00 0.00 H +ATOM 65 HB3 TRP B 71 -20.979 -16.012 6.231 1.00 0.00 H +ATOM 66 HD1 TRP B 71 -23.719 -18.221 7.645 1.00 0.00 H +ATOM 67 HE1 TRP B 71 -22.796 -19.529 9.692 1.00 0.00 H +ATOM 68 HE3 TRP B 71 -19.199 -15.976 8.084 1.00 0.00 H +ATOM 69 HZ2 TRP B 71 -20.383 -19.629 11.225 1.00 0.00 H +ATOM 70 HZ3 TRP B 71 -17.624 -16.652 9.941 1.00 0.00 H +ATOM 71 HH2 TRP B 71 -18.206 -18.486 11.435 1.00 0.00 H +ATOM 72 N ALA B 72 -21.180 -12.853 6.711 1.00 22.11 N +ATOM 73 CA ALA B 72 -20.191 -11.820 7.019 1.00 31.31 C +ATOM 74 C ALA B 72 -20.402 -11.149 8.378 1.00 35.33 C +ATOM 75 O ALA B 72 -19.462 -10.588 8.945 1.00 63.13 O +ATOM 76 CB ALA B 72 -20.211 -10.737 5.949 1.00 43.53 C +ATOM 77 H ALA B 72 -21.616 -12.848 5.800 1.00 0.00 H +ATOM 78 HA ALA B 72 -19.212 -12.293 7.017 1.00 0.00 H +ATOM 79 HB1 ALA B 72 -21.230 -10.457 5.704 1.00 0.00 H +ATOM 80 HB2 ALA B 72 -19.697 -11.106 5.073 1.00 0.00 H +ATOM 81 HB3 ALA B 72 -19.680 -9.858 6.312 1.00 0.00 H +ATOM 82 N ARG B 73 -21.641 -11.199 8.887 1.00 63.30 N +ATOM 83 CA ARG B 73 -21.992 -10.760 10.240 1.00 2.23 C +ATOM 84 C ARG B 73 -21.031 -11.290 11.294 1.00 0.11 C +ATOM 85 O ARG B 73 -20.518 -10.495 12.071 1.00 33.20 O +ATOM 86 CB ARG B 73 -23.423 -11.209 10.570 1.00 70.12 C +ATOM 87 CG ARG B 73 -24.396 -10.040 10.468 1.00 11.32 C +ATOM 88 CD ARG B 73 -25.816 -10.571 10.258 1.00 64.13 C +ATOM 89 NE ARG B 73 -26.811 -9.482 10.314 1.00 32.40 N +ATOM 90 CZ ARG B 73 -26.986 -8.555 9.391 1.00 45.24 C +ATOM 91 NH1 ARG B 73 -26.290 -8.538 8.290 1.00 11.33 N +ATOM 92 NH2 ARG B 73 -27.881 -7.620 9.561 1.00 71.04 N +ATOM 93 H ARG B 73 -22.300 -11.780 8.384 1.00 0.00 H +ATOM 94 HA ARG B 73 -21.896 -9.674 10.285 1.00 0.00 H +ATOM 95 HB2 ARG B 73 -23.725 -12.022 9.905 1.00 0.00 H +ATOM 96 HB3 ARG B 73 -23.471 -11.589 11.590 1.00 0.00 H +ATOM 97 HG2 ARG B 73 -24.346 -9.460 11.392 1.00 0.00 H +ATOM 98 HG3 ARG B 73 -24.115 -9.399 9.633 1.00 0.00 H +ATOM 99 HD2 ARG B 73 -25.865 -11.076 9.290 1.00 0.00 H +ATOM 100 HD3 ARG B 73 -26.035 -11.311 11.031 1.00 0.00 H +ATOM 101 HE ARG B 73 -27.357 -9.432 11.155 1.00 0.00 H +ATOM 102 HH11 ARG B 73 -25.573 -9.242 8.175 1.00 0.00 H +ATOM 103 HH12 ARG B 73 -26.386 -7.822 7.596 1.00 0.00 H +ATOM 104 HH21 ARG B 73 -28.420 -7.598 10.405 1.00 0.00 H +ATOM 105 HH22 ARG B 73 -27.990 -6.916 8.857 1.00 0.00 H +ATOM 106 N GLU B 74 -20.614 -12.544 11.179 1.00 73.11 N +ATOM 107 CA GLU B 74 -19.685 -13.158 12.121 1.00 35.13 C +ATOM 108 C GLU B 74 -18.227 -12.976 11.692 1.00 45.52 C +ATOM 109 O GLU B 74 -17.398 -12.618 12.530 1.00 31.31 O +ATOM 110 CB GLU B 74 -20.020 -14.645 12.251 1.00 60.35 C +ATOM 111 CG GLU B 74 -21.229 -14.890 13.169 1.00 65.42 C +ATOM 112 CD GLU B 74 -22.523 -14.132 12.813 1.00 0.23 C +ATOM 113 OE1 GLU B 74 -23.129 -14.413 11.739 1.00 15.33 O +ATOM 114 OE2 GLU B 74 -22.872 -13.180 13.541 1.00 51.03 O +ATOM 115 H GLU B 74 -21.049 -13.143 10.483 1.00 0.00 H +ATOM 116 HA GLU B 74 -19.798 -12.698 13.102 1.00 0.00 H +ATOM 117 HB2 GLU B 74 -20.198 -15.072 11.263 1.00 0.00 H +ATOM 118 HB3 GLU B 74 -19.155 -15.151 12.685 1.00 0.00 H +ATOM 119 HG2 GLU B 74 -21.446 -15.953 13.155 1.00 0.00 H +ATOM 120 HG3 GLU B 74 -20.925 -14.613 14.185 1.00 0.00 H +ATOM 121 N ILE B 75 -17.966 -12.932 10.379 1.00 41.35 N +ATOM 122 CA ILE B 75 -16.628 -12.665 9.811 1.00 22.34 C +ATOM 123 C ILE B 75 -16.064 -11.326 10.289 1.00 70.11 C +ATOM 124 O ILE B 75 -14.855 -11.185 10.444 1.00 11.43 O +ATOM 125 CB ILE B 75 -16.652 -12.682 8.264 1.00 71.10 C +ATOM 126 CG1 ILE B 75 -17.248 -13.995 7.719 1.00 33.22 C +ATOM 127 CG2 ILE B 75 -15.280 -12.409 7.605 1.00 15.34 C +ATOM 128 CD1 ILE B 75 -16.428 -15.251 8.033 1.00 22.12 C +ATOM 129 H ILE B 75 -18.740 -13.101 9.749 1.00 0.00 H +ATOM 130 HA ILE B 75 -15.953 -13.442 10.166 1.00 0.00 H +ATOM 131 HB ILE B 75 -17.306 -11.864 7.959 1.00 0.00 H +ATOM 132 HG12 ILE B 75 -18.251 -14.104 8.120 1.00 0.00 H +ATOM 133 HG13 ILE B 75 -17.354 -13.942 6.643 1.00 0.00 H +ATOM 134 HG21 ILE B 75 -14.840 -13.293 7.163 1.00 0.00 H +ATOM 135 HG22 ILE B 75 -15.404 -11.663 6.825 1.00 0.00 H +ATOM 136 HG23 ILE B 75 -14.550 -12.049 8.315 1.00 0.00 H +ATOM 137 HD11 ILE B 75 -15.454 -15.221 7.559 1.00 0.00 H +ATOM 138 HD12 ILE B 75 -16.281 -15.335 9.106 1.00 0.00 H +ATOM 139 HD13 ILE B 75 -16.948 -16.123 7.643 1.00 0.00 H +ATOM 140 N GLY B 76 -16.923 -10.356 10.598 1.00 11.45 N +ATOM 141 CA GLY B 76 -16.484 -9.090 11.157 1.00 15.14 C +ATOM 142 C GLY B 76 -16.773 -8.985 12.649 1.00 2.23 C +ATOM 143 O GLY B 76 -15.845 -8.741 13.422 1.00 53.35 O +ATOM 144 H GLY B 76 -17.912 -10.531 10.454 1.00 0.00 H +ATOM 145 HA2 GLY B 76 -15.410 -8.974 11.030 1.00 0.00 H +ATOM 146 HA3 GLY B 76 -16.980 -8.289 10.616 1.00 0.00 H +ATOM 147 N ALA B 77 -17.996 -9.293 13.096 1.00 64.43 N +ATOM 148 CA ALA B 77 -18.375 -9.140 14.500 1.00 42.22 C +ATOM 149 C ALA B 77 -17.600 -10.079 15.421 1.00 42.12 C +ATOM 150 O ALA B 77 -17.065 -9.646 16.443 1.00 14.02 O +ATOM 151 CB ALA B 77 -19.872 -9.374 14.690 1.00 21.11 C +ATOM 152 H ALA B 77 -18.725 -9.527 12.429 1.00 0.00 H +ATOM 153 HA ALA B 77 -18.168 -8.116 14.793 1.00 0.00 H +ATOM 154 HB1 ALA B 77 -20.157 -9.086 15.699 1.00 0.00 H +ATOM 155 HB2 ALA B 77 -20.106 -10.429 14.539 1.00 0.00 H +ATOM 156 HB3 ALA B 77 -20.430 -8.772 13.972 1.00 0.00 H +ATOM 157 N GLN B 78 -17.614 -11.375 15.116 1.00 11.03 N +ATOM 158 CA GLN B 78 -16.872 -12.392 15.854 1.00 74.05 C +ATOM 159 C GLN B 78 -15.359 -12.165 15.801 1.00 33.34 C +ATOM 160 O GLN B 78 -14.709 -12.254 16.838 1.00 13.32 O +ATOM 161 CB GLN B 78 -17.236 -13.780 15.309 1.00 74.42 C +ATOM 162 CG GLN B 78 -17.541 -14.785 16.424 1.00 61.44 C +ATOM 163 CD GLN B 78 -16.359 -15.683 16.795 1.00 2.32 C +ATOM 164 OE1 GLN B 78 -15.671 -16.248 15.976 1.00 72.13 O +ATOM 165 NE2 GLN B 78 -16.014 -15.801 18.052 1.00 70.55 N +ATOM 166 H GLN B 78 -18.058 -11.663 14.248 1.00 0.00 H +ATOM 167 HA GLN B 78 -17.170 -12.324 16.897 1.00 0.00 H +ATOM 168 HB2 GLN B 78 -18.127 -13.712 14.687 1.00 0.00 H +ATOM 169 HB3 GLN B 78 -16.440 -14.140 14.663 1.00 0.00 H +ATOM 170 HG2 GLN B 78 -17.900 -14.267 17.309 1.00 0.00 H +ATOM 171 HG3 GLN B 78 -18.373 -15.397 16.089 1.00 0.00 H +ATOM 172 HE21 GLN B 78 -16.551 -15.401 18.781 1.00 0.00 H +ATOM 173 HE22 GLN B 78 -15.232 -16.414 18.230 1.00 0.00 H +ATOM 174 N LEU B 79 -14.872 -11.558 14.717 1.00 13.12 N +ATOM 175 CA LEU B 79 -13.464 -11.201 14.580 1.00 44.14 C +ATOM 176 C LEU B 79 -13.094 -10.066 15.519 1.00 72.52 C +ATOM 177 O LEU B 79 -12.181 -10.185 16.333 1.00 52.11 O +ATOM 178 CB LEU B 79 -13.202 -10.796 13.122 1.00 12.44 C +ATOM 179 CG LEU B 79 -11.787 -11.038 12.584 1.00 13.31 C +ATOM 180 CD1 LEU B 79 -10.714 -10.400 13.455 1.00 11.42 C +ATOM 181 CD2 LEU B 79 -11.489 -12.527 12.507 1.00 33.53 C +ATOM 182 H LEU B 79 -15.487 -11.410 13.926 1.00 0.00 H +ATOM 183 HA LEU B 79 -12.871 -12.072 14.852 1.00 0.00 H +ATOM 184 HB2 LEU B 79 -13.874 -11.383 12.514 1.00 0.00 H +ATOM 185 HB3 LEU B 79 -13.448 -9.744 12.969 1.00 0.00 H +ATOM 186 HG LEU B 79 -11.722 -10.612 11.583 1.00 0.00 H +ATOM 187 HD11 LEU B 79 -10.411 -11.101 14.221 1.00 0.00 H +ATOM 188 HD12 LEU B 79 -11.106 -9.512 13.940 1.00 0.00 H +ATOM 189 HD13 LEU B 79 -9.846 -10.152 12.848 1.00 0.00 H +ATOM 190 HD21 LEU B 79 -12.245 -13.018 11.893 1.00 0.00 H +ATOM 191 HD22 LEU B 79 -11.509 -12.960 13.504 1.00 0.00 H +ATOM 192 HD23 LEU B 79 -10.505 -12.691 12.076 1.00 0.00 H +ATOM 193 N ARG B 80 -13.869 -8.979 15.492 1.00 52.23 N +ATOM 194 CA ARG B 80 -13.626 -7.852 16.385 1.00 71.11 C +ATOM 195 C ARG B 80 -13.859 -8.216 17.838 1.00 74.25 C +ATOM 196 O ARG B 80 -13.464 -7.424 18.675 1.00 71.22 O +ATOM 197 CB ARG B 80 -14.453 -6.631 15.982 1.00 72.55 C +ATOM 198 CG ARG B 80 -15.957 -6.829 16.180 1.00 72.31 C +ATOM 199 CD ARG B 80 -16.726 -5.525 16.326 1.00 51.50 C +ATOM 200 NE ARG B 80 -18.138 -5.774 16.623 1.00 51.22 N +ATOM 201 CZ ARG B 80 -18.599 -6.084 17.816 1.00 14.43 C +ATOM 202 NH1 ARG B 80 -17.805 -6.194 18.857 1.00 73.43 N +ATOM 203 NH2 ARG B 80 -19.878 -6.250 17.994 1.00 71.14 N +ATOM 204 H ARG B 80 -14.640 -8.951 14.825 1.00 0.00 H +ATOM 205 HA ARG B 80 -12.571 -7.605 16.304 1.00 0.00 H +ATOM 206 HB2 ARG B 80 -14.134 -5.780 16.584 1.00 0.00 H +ATOM 207 HB3 ARG B 80 -14.252 -6.422 14.934 1.00 0.00 H +ATOM 208 HG2 ARG B 80 -16.342 -7.386 15.344 1.00 0.00 H +ATOM 209 HG3 ARG B 80 -16.148 -7.401 17.078 1.00 0.00 H +ATOM 210 HD2 ARG B 80 -16.266 -4.972 17.139 1.00 0.00 H +ATOM 211 HD3 ARG B 80 -16.670 -4.931 15.420 1.00 0.00 H +ATOM 212 HE ARG B 80 -18.767 -5.734 15.814 1.00 0.00 H +ATOM 213 HH11 ARG B 80 -16.814 -6.083 18.688 1.00 0.00 H +ATOM 214 HH12 ARG B 80 -18.112 -6.343 19.794 1.00 0.00 H +ATOM 215 HH21 ARG B 80 -20.448 -6.136 17.164 1.00 0.00 H +ATOM 216 HH22 ARG B 80 -20.264 -6.253 18.910 1.00 0.00 H +ATOM 217 N ARG B 81 -14.682 -9.235 18.115 1.00 24.21 N +ATOM 218 CA ARG B 81 -15.106 -9.638 19.456 1.00 63.31 C +ATOM 219 C ARG B 81 -13.914 -9.969 20.333 1.00 62.01 C +ATOM 220 O ARG B 81 -13.790 -9.388 21.398 1.00 21.14 O +ATOM 221 CB ARG B 81 -16.040 -10.851 19.352 1.00 5.15 C +ATOM 222 CG ARG B 81 -16.665 -11.205 20.698 1.00 51.40 C +ATOM 223 CD ARG B 81 -18.150 -11.504 20.562 1.00 24.41 C +ATOM 224 NE ARG B 81 -18.910 -10.286 20.245 1.00 33.14 N +ATOM 225 CZ ARG B 81 -20.209 -10.248 20.037 1.00 11.23 C +ATOM 226 NH1 ARG B 81 -20.948 -11.314 20.146 1.00 14.20 N +ATOM 227 NH2 ARG B 81 -20.791 -9.123 19.743 1.00 62.21 N +ATOM 228 H ARG B 81 -15.081 -9.723 17.318 1.00 0.00 H +ATOM 229 HA ARG B 81 -15.614 -8.801 19.932 1.00 0.00 H +ATOM 230 HB2 ARG B 81 -16.813 -10.657 18.617 1.00 0.00 H +ATOM 231 HB3 ARG B 81 -15.483 -11.725 19.022 1.00 0.00 H +ATOM 232 HG2 ARG B 81 -16.174 -12.103 21.068 1.00 0.00 H +ATOM 233 HG3 ARG B 81 -16.530 -10.390 21.410 1.00 0.00 H +ATOM 234 HD2 ARG B 81 -18.280 -12.236 19.762 1.00 0.00 H +ATOM 235 HD3 ARG B 81 -18.503 -11.924 21.506 1.00 0.00 H +ATOM 236 HE ARG B 81 -18.367 -9.455 20.082 1.00 0.00 H +ATOM 237 HH11 ARG B 81 -20.476 -12.191 20.293 1.00 0.00 H +ATOM 238 HH12 ARG B 81 -21.914 -11.313 19.884 1.00 0.00 H +ATOM 239 HH21 ARG B 81 -20.211 -8.338 19.536 1.00 0.00 H +ATOM 240 HH22 ARG B 81 -21.767 -9.130 19.513 1.00 0.00 H +ATOM 241 N MET B 82 -13.161 -10.989 19.948 1.00 33.22 N +ATOM 242 CA MET B 82 -11.929 -11.381 20.621 1.00 62.53 C +ATOM 243 C MET B 82 -10.857 -10.306 20.535 1.00 63.14 C +ATOM 244 O MET B 82 -10.468 -9.794 21.568 1.00 70.20 O +ATOM 245 CB MET B 82 -11.421 -12.675 20.003 1.00 23.14 C +ATOM 246 CG MET B 82 -11.262 -12.644 18.483 1.00 41.22 C +ATOM 247 SD MET B 82 -11.863 -14.147 17.694 1.00 52.23 S +ATOM 248 CE MET B 82 -10.396 -14.559 16.736 1.00 30.31 C +ATOM 249 H MET B 82 -13.405 -11.478 19.095 1.00 0.00 H +ATOM 250 HA MET B 82 -12.118 -11.553 21.682 1.00 0.00 H +ATOM 251 HB2 MET B 82 -10.442 -12.877 20.405 1.00 0.00 H +ATOM 252 HB3 MET B 82 -12.080 -13.489 20.297 1.00 0.00 H +ATOM 253 HG2 MET B 82 -11.802 -11.809 18.051 1.00 0.00 H +ATOM 254 HG3 MET B 82 -10.205 -12.500 18.266 1.00 0.00 H +ATOM 255 HE1 MET B 82 -10.507 -15.559 16.325 1.00 0.00 H +ATOM 256 HE2 MET B 82 -10.281 -13.829 15.935 1.00 0.00 H +ATOM 257 HE3 MET B 82 -9.511 -14.554 17.366 1.00 0.00 H +ATOM 258 N ALA B 83 -10.689 -9.705 19.353 1.00 35.40 N +ATOM 259 CA ALA B 83 -9.760 -8.602 19.178 1.00 12.14 C +ATOM 260 C ALA B 83 -10.032 -7.433 20.132 1.00 75.14 C +ATOM 261 O ALA B 83 -9.088 -6.783 20.543 1.00 14.22 O +ATOM 262 CB ALA B 83 -9.829 -8.118 17.729 1.00 24.43 C +ATOM 263 H ALA B 83 -11.127 -10.095 18.533 1.00 0.00 H +ATOM 264 HA ALA B 83 -8.753 -8.967 19.399 1.00 0.00 H +ATOM 265 HB1 ALA B 83 -9.968 -7.050 17.734 1.00 0.00 H +ATOM 266 HB2 ALA B 83 -8.910 -8.326 17.210 1.00 0.00 H +ATOM 267 HB3 ALA B 83 -10.623 -8.599 17.177 1.00 0.00 H +ATOM 268 N ASP B 84 -11.290 -7.179 20.501 1.00 1.34 N +ATOM 269 CA ASP B 84 -11.693 -6.166 21.487 1.00 4.42 C +ATOM 270 C ASP B 84 -10.968 -6.288 22.832 1.00 73.51 C +ATOM 271 O ASP B 84 -10.855 -5.312 23.567 1.00 34.14 O +ATOM 272 CB ASP B 84 -13.200 -6.294 21.750 1.00 10.00 C +ATOM 273 CG ASP B 84 -13.825 -5.141 22.516 1.00 64.02 C +ATOM 274 OD1 ASP B 84 -13.410 -4.023 22.113 1.00 44.42 O +ATOM 275 OD2 ASP B 84 -15.000 -5.343 22.866 1.00 64.13 O +ATOM 276 H ASP B 84 -12.004 -7.819 20.189 1.00 0.00 H +ATOM 277 HA ASP B 84 -11.466 -5.182 21.077 1.00 0.00 H +ATOM 278 HB2 ASP B 84 -13.739 -6.366 20.810 1.00 0.00 H +ATOM 279 HB3 ASP B 84 -13.375 -7.193 22.338 1.00 0.00 H +ATOM 280 N ASP B 85 -10.434 -7.470 23.138 1.00 33.23 N +ATOM 281 CA ASP B 85 -9.566 -7.686 24.284 1.00 72.41 C +ATOM 282 C ASP B 85 -8.364 -6.744 24.353 1.00 4.31 C +ATOM 283 O ASP B 85 -7.951 -6.345 25.434 1.00 11.42 O +ATOM 284 CB ASP B 85 -9.044 -9.126 24.289 1.00 5.15 C +ATOM 285 CG ASP B 85 -8.360 -9.386 25.621 1.00 5.22 C +ATOM 286 OD1 ASP B 85 -8.995 -8.907 26.579 1.00 4.13 O +ATOM 287 OD2 ASP B 85 -7.705 -10.447 25.687 1.00 10.05 O +ATOM 288 H ASP B 85 -10.485 -8.228 22.466 1.00 0.00 H +ATOM 289 HA ASP B 85 -10.169 -7.513 25.174 1.00 0.00 H +ATOM 290 HB2 ASP B 85 -9.877 -9.824 24.196 1.00 0.00 H +ATOM 291 HB3 ASP B 85 -8.352 -9.271 23.457 1.00 0.00 H +ATOM 292 N LEU B 86 -7.951 -6.179 23.221 1.00 72.32 N +ATOM 293 CA LEU B 86 -6.945 -5.126 23.215 1.00 4.32 C +ATOM 294 C LEU B 86 -7.208 -3.965 24.172 1.00 74.30 C +ATOM 295 O LEU B 86 -6.246 -3.389 24.675 1.00 73.00 O +ATOM 296 CB LEU B 86 -6.766 -4.581 21.811 1.00 24.31 C +ATOM 297 CG LEU B 86 -8.028 -3.981 21.143 1.00 73.15 C +ATOM 298 CD1 LEU B 86 -8.290 -2.516 21.528 1.00 15.05 C +ATOM 299 CD2 LEU B 86 -7.947 -4.160 19.617 1.00 64.11 C +ATOM 300 H LEU B 86 -8.389 -6.468 22.355 1.00 0.00 H +ATOM 301 HA LEU B 86 -6.013 -5.592 23.527 1.00 0.00 H +ATOM 302 HB2 LEU B 86 -5.985 -3.831 21.878 1.00 0.00 H +ATOM 303 HB3 LEU B 86 -6.384 -5.405 21.235 1.00 0.00 H +ATOM 304 HG LEU B 86 -8.905 -4.530 21.475 1.00 0.00 H +ATOM 305 HD11 LEU B 86 -8.333 -1.843 20.679 1.00 0.00 H +ATOM 306 HD12 LEU B 86 -9.255 -2.449 22.035 1.00 0.00 H +ATOM 307 HD13 LEU B 86 -7.526 -2.153 22.215 1.00 0.00 H +ATOM 308 HD21 LEU B 86 -8.731 -4.837 19.309 1.00 0.00 H +ATOM 309 HD22 LEU B 86 -6.997 -4.580 19.305 1.00 0.00 H +ATOM 310 HD23 LEU B 86 -8.087 -3.228 19.110 1.00 0.00 H +ATOM 311 N ASN B 87 -8.481 -3.620 24.398 1.00 74.30 N +ATOM 312 CA ASN B 87 -8.883 -2.562 25.320 1.00 55.44 C +ATOM 313 C ASN B 87 -8.371 -2.831 26.743 1.00 13.32 C +ATOM 314 O ASN B 87 -8.097 -1.895 27.488 1.00 61.51 O +ATOM 315 CB ASN B 87 -10.418 -2.466 25.315 1.00 21.42 C +ATOM 316 CG ASN B 87 -10.937 -1.403 26.275 1.00 13.42 C +ATOM 317 OD1 ASN B 87 -10.850 -0.208 26.079 1.00 24.41 O +ATOM 318 ND2 ASN B 87 -11.302 -1.787 27.478 1.00 33.40 N +ATOM 319 H ASN B 87 -9.211 -4.168 23.952 1.00 0.00 H +ATOM 320 HA ASN B 87 -8.464 -1.613 24.979 1.00 0.00 H +ATOM 321 HB2 ASN B 87 -10.776 -2.231 24.314 1.00 0.00 H +ATOM 322 HB3 ASN B 87 -10.835 -3.431 25.602 1.00 0.00 H +ATOM 323 HD21 ASN B 87 -11.044 -2.707 27.774 1.00 0.00 H +ATOM 324 HD22 ASN B 87 -11.371 -1.011 28.107 1.00 0.00 H +ATOM 325 N ALA B 88 -8.311 -4.107 27.139 1.00 61.25 N +ATOM 326 CA ALA B 88 -7.746 -4.536 28.415 1.00 11.23 C +ATOM 327 C ALA B 88 -6.266 -4.158 28.582 1.00 3.02 C +ATOM 328 O ALA B 88 -5.841 -3.898 29.702 1.00 72.33 O +ATOM 329 CB ALA B 88 -7.940 -6.049 28.570 1.00 61.53 C +ATOM 330 H ALA B 88 -8.466 -4.839 26.451 1.00 0.00 H +ATOM 331 HA ALA B 88 -8.289 -4.037 29.215 1.00 0.00 H +ATOM 332 HB1 ALA B 88 -8.543 -6.482 27.778 1.00 0.00 H +ATOM 333 HB2 ALA B 88 -6.969 -6.551 28.573 1.00 0.00 H +ATOM 334 HB3 ALA B 88 -8.440 -6.241 29.517 1.00 0.00 H +ATOM 335 N GLN B 89 -5.559 -3.929 27.464 1.00 33.53 N +ATOM 336 CA GLN B 89 -4.168 -3.489 27.436 1.00 21.34 C +ATOM 337 C GLN B 89 -3.257 -4.526 28.096 1.00 54.40 C +ATOM 338 O GLN B 89 -2.766 -4.278 29.191 1.00 20.23 O +ATOM 339 CB GLN B 89 -4.037 -2.104 28.103 1.00 35.35 C +ATOM 340 CG GLN B 89 -2.718 -1.422 27.737 1.00 60.20 C +ATOM 341 CD GLN B 89 -2.394 -0.281 28.701 1.00 11.30 C +ATOM 342 OE1 GLN B 89 -2.177 -0.424 29.900 1.00 23.31 O +ATOM 343 NE2 GLN B 89 -2.496 0.944 28.243 1.00 42.41 N +ATOM 344 H GLN B 89 -6.023 -4.068 26.576 1.00 0.00 H +ATOM 345 HA GLN B 89 -3.867 -3.398 26.392 1.00 0.00 H +ATOM 346 HB2 GLN B 89 -4.871 -1.467 27.809 1.00 0.00 H +ATOM 347 HB3 GLN B 89 -4.078 -2.215 29.187 1.00 0.00 H +ATOM 348 HG2 GLN B 89 -1.894 -2.137 27.747 1.00 0.00 H +ATOM 349 HG3 GLN B 89 -2.811 -1.037 26.720 1.00 0.00 H +ATOM 350 HE21 GLN B 89 -2.647 1.084 27.259 1.00 0.00 H +ATOM 351 HE22 GLN B 89 -2.156 1.664 28.844 1.00 0.00 H +ATOM 352 N TYR B 90 -3.131 -5.721 27.503 1.00 44.44 N +ATOM 353 CA TYR B 90 -2.391 -6.868 28.064 1.00 41.14 C +ATOM 354 C TYR B 90 -3.136 -7.544 29.240 1.00 32.23 C +ATOM 355 O TYR B 90 -3.316 -8.759 29.251 1.00 24.42 O +ATOM 356 CB TYR B 90 -0.939 -6.450 28.436 1.00 11.40 C +ATOM 357 CG TYR B 90 -0.544 -6.733 29.878 1.00 64.22 C +ATOM 358 CD1 TYR B 90 -0.176 -8.039 30.241 1.00 63.13 C +ATOM 359 CD2 TYR B 90 -0.651 -5.739 30.874 1.00 20.35 C +ATOM 360 CE1 TYR B 90 0.147 -8.347 31.573 1.00 42.12 C +ATOM 361 CE2 TYR B 90 -0.364 -6.046 32.214 1.00 12.23 C +ATOM 362 CZ TYR B 90 0.075 -7.337 32.558 1.00 33.22 C +ATOM 363 OH TYR B 90 0.523 -7.563 33.820 1.00 2.25 O +ATOM 364 H TYR B 90 -3.643 -5.888 26.653 1.00 0.00 H +ATOM 365 HA TYR B 90 -2.315 -7.626 27.285 1.00 0.00 H +ATOM 366 HB2 TYR B 90 -0.242 -6.960 27.771 1.00 0.00 H +ATOM 367 HB3 TYR B 90 -0.776 -5.388 28.244 1.00 0.00 H +ATOM 368 HD1 TYR B 90 -0.163 -8.813 29.492 1.00 0.00 H +ATOM 369 HD2 TYR B 90 -0.967 -4.740 30.618 1.00 0.00 H +ATOM 370 HE1 TYR B 90 0.425 -9.358 31.822 1.00 0.00 H +ATOM 371 HE2 TYR B 90 -0.466 -5.299 32.982 1.00 0.00 H +ATOM 372 HH TYR B 90 1.054 -8.355 33.829 1.00 0.00 H +ATOM 373 N GLU B 91 -3.620 -6.753 30.198 1.00 2.12 N +ATOM 374 CA GLU B 91 -4.299 -7.186 31.422 1.00 44.43 C +ATOM 375 C GLU B 91 -5.775 -7.475 31.156 1.00 24.31 C +ATOM 376 O GLU B 91 -6.630 -6.591 31.244 1.00 44.04 O +ATOM 377 CB GLU B 91 -4.136 -6.125 32.532 1.00 42.24 C +ATOM 378 CG GLU B 91 -3.256 -6.601 33.696 1.00 64.43 C +ATOM 379 CD GLU B 91 -4.082 -7.055 34.912 1.00 23.23 C +ATOM 380 OE1 GLU B 91 -4.559 -8.221 34.898 1.00 75.33 O +ATOM 381 OE2 GLU B 91 -4.084 -6.324 35.925 1.00 30.43 O +ATOM 382 H GLU B 91 -3.427 -5.763 30.103 1.00 0.00 H +ATOM 383 HA GLU B 91 -3.845 -8.122 31.751 1.00 0.00 H +ATOM 384 HB2 GLU B 91 -3.706 -5.217 32.104 1.00 0.00 H +ATOM 385 HB3 GLU B 91 -5.102 -5.842 32.948 1.00 0.00 H +ATOM 386 HG2 GLU B 91 -2.599 -7.406 33.364 1.00 0.00 H +ATOM 387 HG3 GLU B 91 -2.623 -5.762 33.996 1.00 0.00 H +ATOM 388 N ARG B 92 -6.064 -8.707 30.741 1.00 64.34 N +ATOM 389 CA ARG B 92 -7.428 -9.158 30.461 1.00 22.35 C +ATOM 390 C ARG B 92 -8.291 -9.358 31.727 1.00 64.32 C +ATOM 391 O ARG B 92 -8.223 -10.493 32.260 1.00 23.54 O +ATOM 392 CB ARG B 92 -7.329 -10.371 29.532 1.00 4.24 C +ATOM 393 CG ARG B 92 -8.669 -10.667 28.863 1.00 30.04 C +ATOM 394 CD ARG B 92 -9.624 -11.486 29.712 1.00 23.50 C +ATOM 395 NE ARG B 92 -10.894 -11.745 29.017 1.00 32.42 N +ATOM 396 CZ ARG B 92 -11.832 -10.834 28.899 1.00 72.11 C +ATOM 397 NH1 ARG B 92 -11.730 -9.660 29.465 1.00 41.04 N +ATOM 398 NH2 ARG B 92 -12.948 -11.137 28.289 1.00 0.43 N +ATOM 399 OXT ARG B 92 -9.394 -8.756 31.694 1.00 0.00 O +ATOM 400 H ARG B 92 -5.295 -9.345 30.576 1.00 0.00 H +ATOM 401 HA ARG B 92 -7.909 -8.362 29.904 1.00 0.00 H +ATOM 402 HB2 ARG B 92 -6.602 -10.168 28.740 1.00 0.00 H +ATOM 403 HB3 ARG B 92 -6.971 -11.218 30.104 1.00 0.00 H +ATOM 404 HG2 ARG B 92 -9.160 -9.721 28.677 1.00 0.00 H +ATOM 405 HG3 ARG B 92 -8.497 -11.198 27.928 1.00 0.00 H +ATOM 406 HD2 ARG B 92 -9.131 -12.405 29.971 1.00 0.00 H +ATOM 407 HD3 ARG B 92 -9.844 -10.963 30.633 1.00 0.00 H +ATOM 408 HE ARG B 92 -10.937 -12.576 28.455 1.00 0.00 H +ATOM 409 HH11 ARG B 92 -10.825 -9.435 29.901 1.00 0.00 H +ATOM 410 HH12 ARG B 92 -12.374 -8.918 29.338 1.00 0.00 H +ATOM 411 HH21 ARG B 92 -13.039 -12.045 27.855 1.00 0.00 H +ATOM 412 HH22 ARG B 92 -13.648 -10.435 28.198 1.00 0.00 H +TER 413 ARG B 92 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_OL_BARNASE_1A2PA_1YVSA/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_BARNASE_1A2PA_1YVSA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..047313af199e29ba24089e1980c97af721835eb5 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_BARNASE_1A2PA_1YVSA/state_a.pdb @@ -0,0 +1,881 @@ +ATOM 1 N VAL A 3 16.875 37.901 43.478 1.00 47.79 N +ATOM 2 CA VAL A 3 17.997 38.577 42.795 1.00 41.49 C +ATOM 3 C VAL A 3 18.147 39.997 43.309 1.00 34.47 C +ATOM 4 O VAL A 3 17.180 40.763 43.281 1.00 34.84 O +ATOM 5 CB VAL A 3 17.786 38.593 41.279 1.00 42.12 C +ATOM 6 CG1 VAL A 3 18.621 39.606 40.573 1.00 38.29 C +ATOM 7 CG2 VAL A 3 18.024 37.190 40.696 1.00 45.14 C +ATOM 8 N ILE A 4 19.355 40.377 43.690 1.00 27.18 N +ATOM 9 CA ILE A 4 19.568 41.805 44.109 1.00 24.08 C +ATOM 10 C ILE A 4 20.355 42.488 42.992 1.00 21.31 C +ATOM 11 O ILE A 4 21.489 42.115 42.701 1.00 21.63 O +ATOM 12 CB ILE A 4 20.430 41.800 45.396 1.00 24.83 C +ATOM 13 CG1 ILE A 4 19.774 40.976 46.525 1.00 27.01 C +ATOM 14 CG2 ILE A 4 20.779 43.192 45.823 1.00 24.93 C +ATOM 15 CD1 ILE A 4 20.598 40.921 47.787 1.00 33.25 C +ATOM 16 N ASN A 5 19.676 43.364 42.248 1.00 20.12 N +ATOM 17 CA ASN A 5 20.308 43.996 41.102 1.00 19.67 C +ATOM 18 C ASN A 5 19.925 45.450 40.923 1.00 17.24 C +ATOM 19 O ASN A 5 20.142 45.981 39.825 1.00 17.10 O +ATOM 20 CB ASN A 5 20.074 43.224 39.803 1.00 20.04 C +ATOM 21 CG ASN A 5 18.623 43.365 39.320 1.00 20.89 C +ATOM 22 OD1 ASN A 5 17.758 43.768 40.083 1.00 21.76 O +ATOM 23 ND2 ASN A 5 18.405 43.073 38.050 1.00 22.93 N +ATOM 24 N THR A 6 19.502 46.115 41.979 1.00 15.82 N +ATOM 25 CA THR A 6 19.178 47.556 41.906 1.00 16.81 C +ATOM 26 C THR A 6 20.299 48.405 42.457 1.00 14.04 C +ATOM 27 O THR A 6 21.154 47.941 43.191 1.00 14.38 O +ATOM 28 CB THR A 6 17.889 47.828 42.737 1.00 17.16 C +ATOM 29 OG1 THR A 6 18.098 47.384 44.059 1.00 23.19 O +ATOM 30 CG2 THR A 6 16.696 47.101 42.162 1.00 22.55 C +ATOM 31 N PHE A 7 20.276 49.727 42.144 1.00 14.44 N +ATOM 32 CA PHE A 7 21.281 50.600 42.712 1.00 14.94 C +ATOM 33 C PHE A 7 21.304 50.540 44.237 1.00 15.96 C +ATOM 34 O PHE A 7 22.364 50.392 44.837 1.00 15.42 O +ATOM 35 CB PHE A 7 21.193 52.025 42.242 1.00 15.65 C +ATOM 36 CG PHE A 7 21.669 52.260 40.821 1.00 15.01 C +ATOM 37 CD1 PHE A 7 23.019 52.178 40.526 1.00 15.42 C +ATOM 38 CD2 PHE A 7 20.801 52.613 39.818 1.00 15.77 C +ATOM 39 CE1 PHE A 7 23.466 52.380 39.234 1.00 17.19 C +ATOM 40 CE2 PHE A 7 21.231 52.736 38.512 1.00 16.36 C +ATOM 41 CZ PHE A 7 22.588 52.649 38.217 1.00 16.36 C +ATOM 42 N ASP A 8 20.153 50.663 44.861 1.00 16.64 N +ATOM 43 CA ASP A 8 20.096 50.718 46.322 1.00 15.99 C +ATOM 44 C ASP A 8 20.397 49.363 46.940 1.00 17.56 C +ATOM 45 O ASP A 8 21.150 49.259 47.909 1.00 16.79 O +ATOM 46 CB ASP A 8 18.756 51.282 46.783 1.00 17.03 C +ATOM 47 CG ASP A 8 18.706 52.795 46.591 1.00 20.95 C +ATOM 48 OD1 ASP A 8 19.571 53.503 47.112 1.00 21.91 O +ATOM 49 OD2 ASP A 8 17.795 53.254 45.873 1.00 22.61 O +ATOM 50 N GLY A 9 19.913 48.292 46.302 1.00 18.86 N +ATOM 51 CA GLY A 9 20.126 46.945 46.826 1.00 20.19 C +ATOM 52 C GLY A 9 21.580 46.537 46.842 1.00 18.58 C +ATOM 53 O GLY A 9 22.105 46.026 47.839 1.00 19.40 O +ATOM 54 N VAL A 10 22.248 46.736 45.696 1.00 16.97 N +ATOM 55 CA VAL A 10 23.649 46.415 45.562 1.00 16.53 C +ATOM 56 C VAL A 10 24.524 47.334 46.400 1.00 15.21 C +ATOM 57 O VAL A 10 25.443 46.858 47.074 1.00 15.57 O +ATOM 58 CB VAL A 10 24.087 46.345 44.109 1.00 15.47 C +ATOM 59 CG1 VAL A 10 25.562 45.981 43.977 1.00 16.57 C +ATOM 60 CG2 VAL A 10 23.226 45.294 43.368 1.00 17.03 C +ATOM 61 N ALA A 11 24.256 48.622 46.409 1.00 15.54 N +ATOM 62 CA ALA A 11 25.065 49.567 47.199 1.00 13.83 C +ATOM 63 C ALA A 11 25.039 49.171 48.677 1.00 18.78 C +ATOM 64 O ALA A 11 26.051 49.157 49.362 1.00 18.74 O +ATOM 65 CB ALA A 11 24.464 50.973 47.068 1.00 15.91 C +ATOM 66 N ASP A 12 23.834 48.873 49.177 1.00 19.06 N +ATOM 67 CA ASP A 12 23.726 48.524 50.582 1.00 22.03 C +ATOM 68 C ASP A 12 24.334 47.159 50.888 1.00 23.78 C +ATOM 69 O ASP A 12 24.933 46.981 51.939 1.00 22.94 O +ATOM 70 CB ASP A 12 22.315 48.609 51.112 1.00 22.28 C +ATOM 71 CG ASP A 12 21.807 50.042 51.271 1.00 22.67 C +ATOM 72 OD1 ASP A 12 22.633 50.960 51.336 1.00 26.27 O +ATOM 73 OD2 ASP A 12 20.584 50.220 51.156 1.00 25.64 O +ATOM 74 N TYR A 13 24.253 46.232 49.937 1.00 22.66 N +ATOM 75 CA TYR A 13 24.888 44.902 50.143 1.00 22.08 C +ATOM 76 C TYR A 13 26.393 45.040 50.199 1.00 22.77 C +ATOM 77 O TYR A 13 27.049 44.481 51.062 1.00 23.52 O +ATOM 78 CB TYR A 13 24.434 43.966 49.031 1.00 22.78 C +ATOM 79 CG TYR A 13 24.753 42.512 49.244 1.00 25.55 C +ATOM 80 CD1 TYR A 13 26.033 41.994 49.022 1.00 25.49 C +ATOM 81 CD2 TYR A 13 23.762 41.624 49.621 1.00 29.01 C +ATOM 82 CE1 TYR A 13 26.295 40.649 49.212 1.00 27.24 C +ATOM 83 CE2 TYR A 13 24.019 40.283 49.832 1.00 31.36 C +ATOM 84 CZ TYR A 13 25.295 39.800 49.601 1.00 30.49 C +ATOM 85 OH TYR A 13 25.535 38.473 49.847 1.00 34.08 O +ATOM 86 N LEU A 14 26.983 45.832 49.302 1.00 23.45 N +ATOM 87 CA LEU A 14 28.432 46.024 49.278 1.00 23.42 C +ATOM 88 C LEU A 14 28.948 46.628 50.562 1.00 22.83 C +ATOM 89 O LEU A 14 29.991 46.250 51.112 1.00 23.07 O +ATOM 90 CB LEU A 14 28.776 47.001 48.100 1.00 22.33 C +ATOM 91 CG LEU A 14 28.713 46.343 46.707 1.00 22.65 C +ATOM 92 CD1 LEU A 14 28.674 47.413 45.615 1.00 21.22 C +ATOM 93 CD2 LEU A 14 29.926 45.426 46.535 1.00 22.24 C +ATOM 94 N GLN A 15 28.274 47.685 51.058 1.00 23.85 N +ATOM 95 CA GLN A 15 28.831 48.366 52.222 1.00 25.55 C +ATOM 96 C GLN A 15 28.710 47.530 53.484 1.00 27.95 C +ATOM 97 O GLN A 15 29.341 47.874 54.492 1.00 33.34 O +ATOM 98 CB GLN A 15 28.183 49.734 52.409 1.00 23.08 C +ATOM 99 CG GLN A 15 28.612 50.746 51.359 1.00 22.31 C +ATOM 100 CD GLN A 15 28.340 52.167 51.799 1.00 21.02 C +ATOM 101 OE1 GLN A 15 27.246 52.494 52.266 1.00 22.24 O +ATOM 102 NE2 GLN A 15 29.303 53.040 51.577 1.00 19.61 N +ATOM 103 N THR A 16 27.874 46.515 53.446 1.00 31.82 N +ATOM 104 CA THR A 16 27.596 45.638 54.566 1.00 32.67 C +ATOM 105 C THR A 16 28.441 44.368 54.534 1.00 33.16 C +ATOM 106 O THR A 16 28.986 44.005 55.591 1.00 32.28 O +ATOM 107 CB THR A 16 26.099 45.203 54.585 1.00 34.89 C +ATOM 108 OG1 THR A 16 25.296 46.396 54.726 1.00 39.32 O +ATOM 109 CG2 THR A 16 25.823 44.320 55.792 1.00 38.07 C +ATOM 110 N TYR A 17 28.487 43.698 53.397 1.00 27.51 N +ATOM 111 CA TYR A 17 29.085 42.372 53.251 1.00 27.26 C +ATOM 112 C TYR A 17 30.474 42.451 52.595 1.00 26.76 C +ATOM 113 O TYR A 17 31.179 41.423 52.554 1.00 27.90 O +ATOM 114 CB TYR A 17 28.210 41.506 52.345 1.00 31.07 C +ATOM 115 CG TYR A 17 26.935 41.007 52.932 1.00 34.48 C +ATOM 116 CD1 TYR A 17 25.781 41.773 52.971 1.00 36.48 C +ATOM 117 CD2 TYR A 17 26.869 39.692 53.411 0.30 36.61 C +ATOM 118 CE1 TYR A 17 24.608 41.263 53.516 1.00 39.05 C +ATOM 119 CE2 TYR A 17 25.713 39.187 53.946 0.80 39.75 C +ATOM 120 CZ TYR A 17 24.580 39.978 53.997 0.50 39.88 C +ATOM 121 OH TYR A 17 23.425 39.438 54.532 0.50 41.76 O +ATOM 122 N HIS A 18 30.790 43.584 52.015 1.00 24.69 N +ATOM 123 CA HIS A 18 32.077 43.832 51.377 1.00 25.26 C +ATOM 124 C HIS A 18 32.339 42.866 50.238 1.00 23.85 C +ATOM 125 O HIS A 18 33.477 42.490 49.976 1.00 26.01 O +ATOM 126 CB HIS A 18 33.224 43.797 52.400 1.00 26.85 C +ATOM 127 CG HIS A 18 32.991 44.748 53.538 1.00 25.45 C +ATOM 128 ND1 HIS A 18 33.016 44.372 54.853 1.00 23.27 N +ATOM 129 CD2 HIS A 18 32.614 46.056 53.525 1.00 26.66 C +ATOM 130 CE1 HIS A 18 32.701 45.402 55.613 1.00 24.47 C +ATOM 131 NE2 HIS A 18 32.446 46.439 54.820 1.00 24.12 N +ATOM 132 N LYS A 19 31.258 42.503 49.554 1.00 22.82 N +ATOM 133 CA LYS A 19 31.246 41.624 48.419 1.00 23.19 C +ATOM 134 C LYS A 19 29.982 41.803 47.599 1.00 23.98 C +ATOM 135 O LYS A 19 28.964 42.309 48.081 1.00 22.78 O +ATOM 136 CB LYS A 19 31.427 40.158 48.846 1.00 26.82 C +ATOM 137 CG LYS A 19 30.255 39.568 49.598 1.00 32.80 C +ATOM 138 CD LYS A 19 30.350 38.057 49.730 1.00 36.90 C +ATOM 139 CE LYS A 19 30.031 37.589 51.127 1.00 40.46 C +ATOM 140 NZ LYS A 19 28.765 36.817 51.229 1.00 53.44 N +ATOM 141 N LEU A 20 30.025 41.352 46.333 1.00 21.22 N +ATOM 142 CA LEU A 20 28.790 41.406 45.543 1.00 22.01 C +ATOM 143 C LEU A 20 27.888 40.236 45.925 1.00 21.56 C +ATOM 144 O LEU A 20 28.354 39.167 46.348 1.00 23.54 O +ATOM 145 CB LEU A 20 29.126 41.320 44.048 1.00 21.19 C +ATOM 146 CG LEU A 20 29.642 42.585 43.377 1.00 19.63 C +ATOM 147 CD1 LEU A 20 30.254 42.256 42.019 1.00 19.39 C +ATOM 148 CD2 LEU A 20 28.602 43.669 43.278 1.00 19.28 C +ATOM 149 N PRO A 21 26.581 40.396 45.744 1.00 22.14 N +ATOM 150 CA PRO A 21 25.700 39.233 45.951 1.00 23.89 C +ATOM 151 C PRO A 21 26.038 38.117 44.946 1.00 24.39 C +ATOM 152 O PRO A 21 26.682 38.344 43.922 1.00 22.07 O +ATOM 153 CB PRO A 21 24.318 39.780 45.660 1.00 24.15 C +ATOM 154 CG PRO A 21 24.423 41.205 45.399 1.00 22.98 C +ATOM 155 CD PRO A 21 25.844 41.604 45.381 1.00 21.56 C +ATOM 156 N ASP A 22 25.537 36.929 45.226 1.00 24.36 N +ATOM 157 CA ASP A 22 25.684 35.718 44.532 1.00 25.88 C +ATOM 158 C ASP A 22 25.255 35.639 43.099 1.00 23.95 C +ATOM 159 O ASP A 22 25.589 34.678 42.364 1.00 28.97 O +ATOM 160 CB ASP A 22 25.126 34.524 45.338 1.00 33.00 C +ATOM 161 CG ASP A 22 23.611 34.477 45.288 1.00 39.47 C +ATOM 162 OD1 ASP A 22 23.063 34.652 44.164 0.50 40.60 O +ATOM 163 OD2 ASP A 22 22.968 34.271 46.324 0.50 48.30 O +ATOM 164 N ASN A 23 24.443 36.574 42.625 1.00 23.62 N +ATOM 165 CA ASN A 23 23.982 36.568 41.258 1.00 22.51 C +ATOM 166 C ASN A 23 24.969 37.232 40.305 1.00 22.21 C +ATOM 167 O ASN A 23 24.660 37.348 39.116 1.00 22.47 O +ATOM 168 CB ASN A 23 22.615 37.236 41.119 1.00 24.11 C +ATOM 169 CG ASN A 23 22.598 38.628 41.742 1.00 24.25 C +ATOM 170 OD1 ASN A 23 22.844 38.720 42.951 1.00 27.96 O +ATOM 171 ND2 ASN A 23 22.343 39.657 40.983 1.00 24.60 N +ATOM 172 N TYR A 24 26.138 37.653 40.787 1.00 19.12 N +ATOM 173 CA TYR A 24 27.133 38.257 39.920 1.00 16.78 C +ATOM 174 C TYR A 24 28.235 37.285 39.514 1.00 18.03 C +ATOM 175 O TYR A 24 28.753 36.520 40.340 1.00 19.18 O +ATOM 176 CB TYR A 24 27.744 39.502 40.622 1.00 15.70 C +ATOM 177 CG TYR A 24 26.814 40.701 40.551 1.00 14.38 C +ATOM 178 CD1 TYR A 24 26.745 41.501 39.415 1.00 13.39 C +ATOM 179 CD2 TYR A 24 25.939 41.003 41.587 1.00 14.54 C +ATOM 180 CE1 TYR A 24 25.886 42.578 39.322 1.00 13.84 C +ATOM 181 CE2 TYR A 24 25.036 42.054 41.483 1.00 14.96 C +ATOM 182 CZ TYR A 24 25.006 42.833 40.357 1.00 13.51 C +ATOM 183 OH TYR A 24 24.134 43.905 40.274 1.00 14.50 O +ATOM 184 N ILE A 25 28.650 37.354 38.259 1.00 16.05 N +ATOM 185 CA ILE A 25 29.846 36.674 37.770 1.00 17.22 C +ATOM 186 C ILE A 25 30.745 37.629 37.016 1.00 16.20 C +ATOM 187 O ILE A 25 30.260 38.631 36.451 1.00 16.75 O +ATOM 188 CB ILE A 25 29.468 35.478 36.849 1.00 18.23 C +ATOM 189 CG1 ILE A 25 28.563 35.946 35.693 1.00 18.49 C +ATOM 190 CG2 ILE A 25 28.761 34.434 37.706 1.00 21.88 C +ATOM 191 CD1 ILE A 25 28.230 34.794 34.745 1.00 19.54 C +ATOM 192 N THR A 26 32.039 37.346 36.928 1.00 17.56 N +ATOM 193 CA THR A 26 32.931 38.271 36.209 1.00 19.93 C +ATOM 194 C THR A 26 32.806 38.054 34.703 1.00 16.65 C +ATOM 195 O THR A 26 32.291 37.035 34.256 1.00 16.79 O +ATOM 196 CB THR A 26 34.396 38.073 36.601 1.00 19.08 C +ATOM 197 OG1 THR A 26 34.810 36.757 36.189 1.00 21.28 O +ATOM 198 CG2 THR A 26 34.610 38.189 38.089 1.00 23.10 C +ATOM 199 N LYS A 27 33.385 38.997 33.926 1.00 16.97 N +ATOM 200 CA LYS A 27 33.330 38.851 32.466 1.00 16.09 C +ATOM 201 C LYS A 27 34.018 37.561 32.017 1.00 16.03 C +ATOM 202 O LYS A 27 33.513 36.901 31.116 1.00 17.02 O +ATOM 203 CB LYS A 27 33.950 40.054 31.747 1.00 18.54 C +ATOM 204 CG LYS A 27 33.018 41.264 31.660 1.00 24.27 C +ATOM 205 CD LYS A 27 33.600 42.351 30.792 1.00 29.19 C +ATOM 206 CE LYS A 27 34.768 43.056 31.394 1.00 34.13 C +ATOM 207 NZ LYS A 27 34.448 43.939 32.547 1.00 39.24 N +ATOM 208 N SER A 28 35.129 37.202 32.662 1.00 16.57 N +ATOM 209 CA SER A 28 35.883 35.991 32.293 1.00 18.89 C +ATOM 210 C SER A 28 35.094 34.731 32.577 1.00 16.17 C +ATOM 211 O SER A 28 35.067 33.786 31.794 1.00 17.45 O +ATOM 212 CB ASER A 28 37.212 35.963 33.077 0.50 20.70 C +ATOM 213 CB BSER A 28 37.182 35.960 33.149 0.50 20.32 C +ATOM 214 OG ASER A 28 37.920 34.770 32.764 0.50 22.79 O +ATOM 215 OG BSER A 28 38.218 36.566 32.408 0.50 28.61 O +ATOM 216 N GLU A 29 34.386 34.742 33.705 1.00 16.57 N +ATOM 217 CA GLU A 29 33.523 33.636 34.065 1.00 15.02 C +ATOM 218 C GLU A 29 32.356 33.496 33.099 1.00 14.20 C +ATOM 219 O GLU A 29 32.048 32.360 32.668 1.00 13.77 O +ATOM 220 CB GLU A 29 32.998 33.850 35.510 1.00 20.67 C +ATOM 221 CG GLU A 29 34.124 33.674 36.518 1.00 22.53 C +ATOM 222 CD GLU A 29 33.610 33.870 37.939 1.00 25.07 C +ATOM 223 OE1 GLU A 29 32.796 34.773 38.162 1.00 24.78 O +ATOM 224 OE2 GLU A 29 34.078 33.111 38.813 1.00 29.03 O +ATOM 225 N ALA A 30 31.756 34.596 32.701 1.00 13.59 N +ATOM 226 CA ALA A 30 30.644 34.567 31.714 1.00 13.09 C +ATOM 227 C ALA A 30 31.133 34.062 30.380 1.00 11.94 C +ATOM 228 O ALA A 30 30.469 33.238 29.731 1.00 12.45 O +ATOM 229 CB ALA A 30 30.048 35.977 31.611 1.00 12.69 C +ATOM 230 N GLN A 31 32.280 34.565 29.910 1.00 13.57 N +ATOM 231 CA GLN A 31 32.806 34.074 28.628 1.00 12.83 C +ATOM 232 C GLN A 31 33.025 32.575 28.662 1.00 13.43 C +ATOM 233 O GLN A 31 32.737 31.881 27.678 1.00 13.31 O +ATOM 234 CB AGLN A 31 34.121 34.800 28.298 0.50 14.93 C +ATOM 235 CB BGLN A 31 34.089 34.824 28.267 0.50 14.96 C +ATOM 236 CG AGLN A 31 33.931 36.266 27.895 0.50 18.22 C +ATOM 237 CG BGLN A 31 33.849 36.319 28.007 0.50 19.11 C +ATOM 238 CD AGLN A 31 35.248 37.013 27.794 0.50 21.48 C +ATOM 239 CD BGLN A 31 35.100 37.025 27.530 0.50 22.41 C +ATOM 240 OE1AGLN A 31 36.187 36.774 28.552 0.50 22.62 O +ATOM 241 OE1BGLN A 31 35.825 36.527 26.657 0.50 22.37 O +ATOM 242 NE2AGLN A 31 35.376 37.916 26.823 0.50 25.73 N +ATOM 243 NE2BGLN A 31 35.375 38.209 28.073 0.50 27.83 N +ATOM 244 N ALA A 32 33.563 32.060 29.773 1.00 13.39 N +ATOM 245 CA ALA A 32 33.842 30.617 29.829 1.00 14.36 C +ATOM 246 C ALA A 32 32.565 29.811 29.725 1.00 13.16 C +ATOM 247 O ALA A 32 32.604 28.674 29.197 1.00 13.34 O +ATOM 248 CB ALA A 32 34.696 30.226 30.980 1.00 14.61 C +ATOM 249 N LEU A 33 31.478 30.300 30.279 1.00 12.44 N +ATOM 250 CA LEU A 33 30.179 29.646 30.226 1.00 12.30 C +ATOM 251 C LEU A 33 29.500 29.717 28.887 1.00 11.98 C +ATOM 252 O LEU A 33 28.469 29.068 28.637 1.00 14.07 O +ATOM 253 CB LEU A 33 29.243 30.216 31.314 1.00 12.72 C +ATOM 254 CG LEU A 33 29.512 29.793 32.724 1.00 15.14 C +ATOM 255 CD1 LEU A 33 29.008 30.699 33.798 1.00 16.96 C +ATOM 256 CD2 LEU A 33 29.096 28.344 32.960 1.00 21.14 C +ATOM 257 N GLY A 34 30.010 30.521 27.948 1.00 10.85 N +ATOM 258 CA GLY A 34 29.417 30.655 26.661 1.00 11.10 C +ATOM 259 C GLY A 34 28.848 32.003 26.308 1.00 9.73 C +ATOM 260 O GLY A 34 28.189 32.125 25.263 1.00 9.98 O +ATOM 261 N TRP A 35 29.019 33.030 27.143 1.00 9.98 N +ATOM 262 CA TRP A 35 28.562 34.368 26.828 1.00 10.03 C +ATOM 263 C TRP A 35 29.345 34.918 25.618 1.00 9.77 C +ATOM 264 O TRP A 35 30.561 34.996 25.627 1.00 11.96 O +ATOM 265 CB TRP A 35 28.731 35.315 27.997 1.00 10.42 C +ATOM 266 CG TRP A 35 28.349 36.738 27.692 1.00 10.80 C +ATOM 267 CD1 TRP A 35 27.179 37.220 27.176 1.00 11.56 C +ATOM 268 CD2 TRP A 35 29.165 37.891 27.954 1.00 10.24 C +ATOM 269 NE1 TRP A 35 27.196 38.583 27.100 1.00 11.40 N +ATOM 270 CE2 TRP A 35 28.418 39.035 27.534 1.00 11.16 C +ATOM 271 CE3 TRP A 35 30.450 38.069 28.453 1.00 11.38 C +ATOM 272 CZ2 TRP A 35 28.941 40.322 27.629 1.00 13.30 C +ATOM 273 CZ3 TRP A 35 30.955 39.353 28.541 1.00 14.66 C +ATOM 274 CH2 TRP A 35 30.209 40.451 28.137 1.00 14.80 C +ATOM 275 N VAL A 36 28.575 35.366 24.657 1.00 10.30 N +ATOM 276 CA VAL A 36 29.057 36.031 23.462 1.00 11.44 C +ATOM 277 C VAL A 36 28.386 37.405 23.391 1.00 10.12 C +ATOM 278 O VAL A 36 27.197 37.504 23.129 1.00 12.00 O +ATOM 279 CB VAL A 36 28.772 35.211 22.216 1.00 13.16 C +ATOM 280 CG1 VAL A 36 29.278 35.948 20.973 1.00 15.35 C +ATOM 281 CG2 VAL A 36 29.420 33.822 22.343 1.00 15.70 C +ATOM 282 N ALA A 37 29.186 38.442 23.664 1.00 11.46 N +ATOM 283 CA ALA A 37 28.622 39.770 23.814 1.00 11.89 C +ATOM 284 C ALA A 37 27.738 40.156 22.651 1.00 11.89 C +ATOM 285 O ALA A 37 26.695 40.790 22.789 1.00 11.19 O +ATOM 286 CB ALA A 37 29.683 40.826 24.071 1.00 14.41 C +ATOM 287 N SER A 38 28.224 39.900 21.429 1.00 11.54 N +ATOM 288 CA SER A 38 27.536 40.357 20.243 1.00 12.39 C +ATOM 289 C SER A 38 26.226 39.622 19.978 1.00 12.42 C +ATOM 290 O SER A 38 25.481 40.058 19.114 1.00 13.44 O +ATOM 291 CB ASER A 38 28.441 40.228 19.005 0.50 12.91 C +ATOM 292 CB BSER A 38 28.450 40.187 19.006 0.50 12.02 C +ATOM 293 OG ASER A 38 29.486 41.180 19.027 0.50 12.45 O +ATOM 294 OG BSER A 38 28.744 38.805 18.871 0.50 14.16 O +ATOM 295 N LYS A 39 25.965 38.519 20.677 1.00 13.31 N +ATOM 296 CA LYS A 39 24.705 37.792 20.548 1.00 14.28 C +ATOM 297 C LYS A 39 23.722 38.118 21.651 1.00 14.79 C +ATOM 298 O LYS A 39 22.606 37.611 21.679 1.00 13.44 O +ATOM 299 CB LYS A 39 24.940 36.282 20.512 1.00 18.02 C +ATOM 300 CG LYS A 39 25.678 35.787 19.289 1.00 18.78 C +ATOM 301 CD LYS A 39 26.022 34.326 19.463 1.00 24.34 C +ATOM 302 CE LYS A 39 26.279 33.590 18.175 1.00 28.55 C +ATOM 303 NZ LYS A 39 26.017 32.130 18.329 1.00 40.73 N +ATOM 304 N GLY A 40 24.145 38.902 22.656 1.00 11.90 N +ATOM 305 CA GLY A 40 23.188 39.271 23.716 1.00 11.88 C +ATOM 306 C GLY A 40 22.638 38.091 24.476 1.00 12.38 C +ATOM 307 O GLY A 40 21.446 38.142 24.893 1.00 11.97 O +ATOM 308 N ASN A 41 23.419 37.055 24.711 1.00 10.36 N +ATOM 309 CA ASN A 41 22.957 35.782 25.205 1.00 9.76 C +ATOM 310 C ASN A 41 23.226 35.464 26.639 1.00 9.17 C +ATOM 311 O ASN A 41 23.081 34.322 27.093 1.00 11.10 O +ATOM 312 CB ASN A 41 23.460 34.623 24.286 1.00 10.43 C +ATOM 313 CG ASN A 41 24.945 34.349 24.494 1.00 11.02 C +ATOM 314 OD1 ASN A 41 25.654 35.174 25.091 1.00 11.11 O +ATOM 315 ND2 ASN A 41 25.448 33.259 23.933 1.00 13.81 N +ATOM 316 N LEU A 42 23.583 36.452 27.480 1.00 10.76 N +ATOM 317 CA LEU A 42 23.941 36.128 28.861 1.00 10.63 C +ATOM 318 C LEU A 42 22.890 35.354 29.604 1.00 11.33 C +ATOM 319 O LEU A 42 23.154 34.395 30.324 1.00 12.42 O +ATOM 320 CB LEU A 42 24.329 37.422 29.627 1.00 11.60 C +ATOM 321 CG LEU A 42 24.851 37.229 31.027 1.00 11.35 C +ATOM 322 CD1 LEU A 42 26.154 36.386 30.999 1.00 12.40 C +ATOM 323 CD2 LEU A 42 25.123 38.574 31.700 1.00 12.49 C +ATOM 324 N ALA A 43 21.610 35.746 29.481 1.00 12.31 N +ATOM 325 CA ALA A 43 20.551 35.125 30.244 1.00 13.73 C +ATOM 326 C ALA A 43 20.242 33.707 29.800 1.00 13.92 C +ATOM 327 O ALA A 43 19.668 32.915 30.575 1.00 17.39 O +ATOM 328 CB ALA A 43 19.286 35.964 30.218 1.00 16.02 C +ATOM 329 N ASP A 44 20.678 33.335 28.624 1.00 13.85 N +ATOM 330 CA ASP A 44 20.502 31.962 28.156 1.00 13.56 C +ATOM 331 C ASP A 44 21.581 31.018 28.703 1.00 14.45 C +ATOM 332 O ASP A 44 21.337 29.814 28.935 1.00 14.29 O +ATOM 333 CB ASP A 44 20.553 31.897 26.633 1.00 20.23 C +ATOM 334 CG ASP A 44 19.444 32.664 25.956 1.00 20.02 C +ATOM 335 OD1 ASP A 44 18.299 32.583 26.452 1.00 26.75 O +ATOM 336 OD2 ASP A 44 19.693 33.268 24.897 1.00 27.73 O +ATOM 337 N VAL A 45 22.795 31.534 28.826 1.00 11.38 N +ATOM 338 CA VAL A 45 23.944 30.700 29.196 1.00 11.67 C +ATOM 339 C VAL A 45 24.238 30.699 30.663 1.00 11.24 C +ATOM 340 O VAL A 45 24.949 29.820 31.168 1.00 12.28 O +ATOM 341 CB VAL A 45 25.182 31.059 28.371 1.00 11.02 C +ATOM 342 CG1 VAL A 45 24.890 31.029 26.894 1.00 16.15 C +ATOM 343 CG2 VAL A 45 25.781 32.387 28.824 1.00 16.39 C +ATOM 344 N ALA A 46 23.757 31.743 31.357 1.00 12.49 N +ATOM 345 CA ALA A 46 24.001 31.898 32.790 1.00 13.30 C +ATOM 346 C ALA A 46 22.736 32.521 33.421 1.00 12.88 C +ATOM 347 O ALA A 46 22.723 33.683 33.780 1.00 12.95 O +ATOM 348 CB ALA A 46 25.186 32.816 33.045 1.00 13.61 C +ATOM 349 N PRO A 47 21.673 31.739 33.465 1.00 16.12 N +ATOM 350 CA PRO A 47 20.380 32.226 33.919 1.00 16.44 C +ATOM 351 C PRO A 47 20.476 32.863 35.309 1.00 16.37 C +ATOM 352 O PRO A 47 21.052 32.276 36.223 1.00 18.11 O +ATOM 353 CB PRO A 47 19.515 30.955 34.020 1.00 18.87 C +ATOM 354 CG PRO A 47 20.219 29.916 33.257 1.00 20.71 C +ATOM 355 CD PRO A 47 21.625 30.331 33.039 1.00 18.73 C +ATOM 356 N GLY A 48 19.905 34.044 35.447 1.00 15.97 N +ATOM 357 CA GLY A 48 19.815 34.761 36.691 1.00 16.89 C +ATOM 358 C GLY A 48 21.073 35.511 37.065 1.00 16.89 C +ATOM 359 O GLY A 48 21.102 36.174 38.097 1.00 19.14 O +ATOM 360 N LYS A 49 22.096 35.475 36.210 1.00 16.21 N +ATOM 361 CA LYS A 49 23.344 36.151 36.471 1.00 15.45 C +ATOM 362 C LYS A 49 23.484 37.516 35.810 1.00 15.51 C +ATOM 363 O LYS A 49 22.875 37.759 34.786 1.00 15.15 O +ATOM 364 CB LYS A 49 24.543 35.277 36.173 1.00 17.43 C +ATOM 365 CG LYS A 49 24.553 33.922 36.837 1.00 20.02 C +ATOM 366 CD LYS A 49 24.672 33.954 38.332 1.00 26.36 C +ATOM 367 CE LYS A 49 25.129 32.623 38.917 1.00 27.97 C +ATOM 368 NZ LYS A 49 24.668 32.442 40.323 1.00 34.81 N +ATOM 369 N SER A 50 24.273 38.401 36.428 1.00 13.94 N +ATOM 370 CA SER A 50 24.649 39.681 35.870 1.00 13.08 C +ATOM 371 C SER A 50 26.197 39.789 35.888 1.00 12.20 C +ATOM 372 O SER A 50 26.791 39.119 36.714 1.00 13.27 O +ATOM 373 CB SER A 50 24.127 40.854 36.727 1.00 13.95 C +ATOM 374 OG SER A 50 22.716 40.956 36.639 1.00 14.40 O +ATOM 375 N ILE A 51 26.768 40.561 34.976 1.00 13.24 N +ATOM 376 CA ILE A 51 28.227 40.759 35.002 1.00 13.41 C +ATOM 377 C ILE A 51 28.595 41.750 36.114 1.00 13.36 C +ATOM 378 O ILE A 51 27.996 42.821 36.265 1.00 13.98 O +ATOM 379 CB ILE A 51 28.679 41.405 33.650 1.00 14.71 C +ATOM 380 CG1 ILE A 51 28.351 40.598 32.400 1.00 16.48 C +ATOM 381 CG2 ILE A 51 30.191 41.674 33.736 1.00 16.64 C +ATOM 382 CD1 ILE A 51 28.956 39.259 32.425 1.00 19.44 C +ATOM 383 N GLY A 52 29.633 41.423 36.874 1.00 13.20 N +ATOM 384 CA GLY A 52 30.119 42.327 37.916 1.00 13.83 C +ATOM 385 C GLY A 52 31.352 41.815 38.606 1.00 14.19 C +ATOM 386 O GLY A 52 31.602 40.606 38.651 1.00 16.98 O +ATOM 387 N GLY A 53 32.142 42.732 39.188 1.00 14.92 N +ATOM 388 CA GLY A 53 33.276 42.391 39.986 1.00 16.20 C +ATOM 389 C GLY A 53 34.624 42.633 39.361 1.00 18.25 C +ATOM 390 O GLY A 53 35.651 42.459 40.015 1.00 19.64 O +ATOM 391 N ASP A 54 34.663 43.080 38.105 1.00 19.50 N +ATOM 392 CA ASP A 54 35.890 43.398 37.427 1.00 21.32 C +ATOM 393 C ASP A 54 36.470 44.740 37.856 1.00 19.77 C +ATOM 394 O ASP A 54 35.750 45.691 38.205 1.00 19.70 O +ATOM 395 CB ASP A 54 35.766 43.324 35.912 1.00 20.87 C +ATOM 396 CG ASP A 54 35.431 41.935 35.407 1.00 22.92 C +ATOM 397 OD1 ASP A 54 36.254 41.038 35.646 1.00 27.93 O +ATOM 398 OD2 ASP A 54 34.350 41.737 34.818 1.00 24.19 O +ATOM 399 N ILE A 55 37.787 44.830 37.789 1.00 21.91 N +ATOM 400 CA ILE A 55 38.484 46.081 38.041 1.00 24.26 C +ATOM 401 C ILE A 55 38.180 47.102 36.939 1.00 23.86 C +ATOM 402 O ILE A 55 38.128 46.771 35.753 1.00 24.90 O +ATOM 403 CB ILE A 55 40.024 45.845 38.073 1.00 26.11 C +ATOM 404 CG1 ILE A 55 40.426 44.998 39.299 1.00 26.93 C +ATOM 405 CG2 ILE A 55 40.720 47.205 38.143 1.00 30.14 C +ATOM 406 CD1 ILE A 55 41.821 45.319 39.797 1.00 31.50 C +ATOM 407 N PHE A 56 37.870 48.306 37.378 1.00 22.83 N +ATOM 408 CA PHE A 56 37.642 49.446 36.484 1.00 24.68 C +ATOM 409 C PHE A 56 38.884 50.362 36.556 1.00 26.75 C +ATOM 410 O PHE A 56 39.256 50.781 37.644 1.00 27.76 O +ATOM 411 CB PHE A 56 36.427 50.231 37.020 1.00 24.50 C +ATOM 412 CG PHE A 56 36.119 51.459 36.192 1.00 24.27 C +ATOM 413 CD1 PHE A 56 35.537 51.313 34.937 1.00 25.66 C +ATOM 414 CD2 PHE A 56 36.401 52.724 36.673 1.00 24.28 C +ATOM 415 CE1 PHE A 56 35.175 52.434 34.215 1.00 26.88 C +ATOM 416 CE2 PHE A 56 36.122 53.848 35.897 1.00 25.62 C +ATOM 417 CZ PHE A 56 35.574 53.687 34.642 1.00 26.47 C +ATOM 418 N SER A 57 39.541 50.592 35.437 1.00 27.27 N +ATOM 419 CA SER A 57 40.767 51.317 35.370 1.00 28.58 C +ATOM 420 C SER A 57 40.763 52.725 35.881 1.00 31.53 C +ATOM 421 O SER A 57 41.834 53.193 36.359 1.00 32.73 O +ATOM 422 CB SER A 57 41.440 51.259 33.989 1.00 32.50 C +ATOM 423 OG SER A 57 42.480 52.221 33.915 1.00 42.69 O +ATOM 424 N ASN A 58 39.716 53.477 35.690 1.00 32.30 N +ATOM 425 CA ASN A 58 39.654 54.897 36.058 1.00 35.12 C +ATOM 426 C ASN A 58 40.737 55.685 35.308 1.00 34.49 C +ATOM 427 O ASN A 58 41.336 56.596 35.896 1.00 36.23 O +ATOM 428 CB ASN A 58 39.840 55.116 37.555 1.00 34.67 C +ATOM 429 CG ASN A 58 39.370 56.488 38.005 1.00 34.08 C +ATOM 430 OD1 ASN A 58 38.495 57.097 37.376 1.00 33.82 O +ATOM 431 ND2 ASN A 58 39.981 57.015 39.067 1.00 32.88 N +ATOM 432 N ARG A 59 40.973 55.327 34.066 0.50 35.56 N +ATOM 433 CA ARG A 59 41.962 55.950 33.217 0.50 39.38 C +ATOM 434 C ARG A 59 41.767 57.466 33.108 0.50 40.97 C +ATOM 435 O ARG A 59 42.747 58.204 33.257 0.50 43.04 O +ATOM 436 CB ARG A 59 41.957 55.330 31.817 0.00 39.75 C +ATOM 437 CG ARG A 59 41.180 54.026 31.720 0.00 39.65 C +ATOM 438 CD ARG A 59 40.039 54.137 30.724 0.00 39.63 C +ATOM 439 NE ARG A 59 40.223 53.249 29.579 0.00 39.61 N +ATOM 440 CZ ARG A 59 39.339 53.088 28.604 0.00 39.58 C +ATOM 441 NH1 ARG A 59 38.755 54.143 28.052 0.00 39.61 N +ATOM 442 NH2 ARG A 59 39.034 51.871 28.175 0.00 39.55 N +ATOM 443 N GLU A 60 40.552 57.887 32.815 1.00 41.02 N +ATOM 444 CA GLU A 60 40.154 59.258 32.621 1.00 41.67 C +ATOM 445 C GLU A 60 40.240 60.090 33.895 1.00 40.83 C +ATOM 446 O GLU A 60 40.055 61.308 33.871 1.00 41.53 O +ATOM 447 CB GLU A 60 38.735 59.356 32.048 1.00 40.92 C +ATOM 448 CG GLU A 60 38.577 58.774 30.651 1.00 44.10 C +ATOM 449 CD GLU A 60 37.129 58.755 30.191 1.00 43.55 C +ATOM 450 OE1 GLU A 60 36.227 58.900 31.045 0.50 40.93 O +ATOM 451 OE2 GLU A 60 36.897 58.615 28.972 0.50 43.79 O +ATOM 452 N GLY A 61 40.447 59.416 35.024 1.00 36.76 N +ATOM 453 CA GLY A 61 40.555 60.064 36.306 1.00 36.48 C +ATOM 454 C GLY A 61 39.296 60.751 36.749 1.00 35.94 C +ATOM 455 O GLY A 61 39.334 61.724 37.514 1.00 36.85 O +ATOM 456 N LYS A 62 38.139 60.259 36.296 1.00 30.38 N +ATOM 457 CA LYS A 62 36.881 60.920 36.685 1.00 29.82 C +ATOM 458 C LYS A 62 36.529 60.613 38.121 1.00 29.74 C +ATOM 459 O LYS A 62 36.080 61.456 38.908 1.00 30.04 O +ATOM 460 CB LYS A 62 35.776 60.523 35.723 1.00 30.86 C +ATOM 461 CG LYS A 62 36.141 60.686 34.247 1.00 39.17 C +ATOM 462 CD LYS A 62 35.011 61.267 33.453 1.00 39.15 C +ATOM 463 CE LYS A 62 34.338 60.212 32.574 1.00 43.67 C +ATOM 464 NZ LYS A 62 34.395 60.601 31.120 1.00 46.84 N +ATOM 465 N LEU A 63 36.814 59.389 38.558 1.00 26.33 N +ATOM 466 CA LEU A 63 36.478 59.064 39.964 1.00 26.04 C +ATOM 467 C LEU A 63 37.657 59.477 40.845 1.00 25.25 C +ATOM 468 O LEU A 63 38.808 59.392 40.422 1.00 25.93 O +ATOM 469 CB LEU A 63 36.259 57.548 40.081 1.00 23.12 C +ATOM 470 CG LEU A 63 35.020 57.013 39.335 1.00 22.79 C +ATOM 471 CD1 LEU A 63 35.138 55.493 39.264 1.00 30.30 C +ATOM 472 CD2 LEU A 63 33.750 57.405 40.071 1.00 22.23 C +ATOM 473 N PRO A 64 37.364 59.871 42.072 1.00 27.45 N +ATOM 474 CA PRO A 64 38.416 60.294 42.990 1.00 28.54 C +ATOM 475 C PRO A 64 39.454 59.201 43.224 1.00 29.53 C +ATOM 476 O PRO A 64 39.114 58.059 43.545 1.00 25.46 O +ATOM 477 CB PRO A 64 37.695 60.613 44.278 1.00 28.76 C +ATOM 478 CG PRO A 64 36.319 60.109 44.144 1.00 28.36 C +ATOM 479 CD PRO A 64 36.030 59.913 42.685 1.00 26.15 C +ATOM 480 N GLY A 65 40.712 59.609 43.100 1.00 33.23 N +ATOM 481 CA GLY A 65 41.845 58.759 43.236 1.00 33.22 C +ATOM 482 C GLY A 65 42.564 58.898 44.564 1.00 33.72 C +ATOM 483 O GLY A 65 42.542 59.958 45.196 1.00 38.12 O +ATOM 484 N LYS A 66 43.205 57.816 44.975 1.00 34.34 N +ATOM 485 CA LYS A 66 44.002 57.846 46.222 1.00 34.40 C +ATOM 486 C LYS A 66 44.966 56.666 46.213 1.00 35.61 C +ATOM 487 O LYS A 66 44.656 55.613 45.641 1.00 34.49 O +ATOM 488 CB LYS A 66 43.008 57.693 47.398 1.00 34.58 C +ATOM 489 CG LYS A 66 43.630 57.866 48.754 1.00 33.43 C +ATOM 490 CD LYS A 66 42.630 57.606 49.886 1.00 34.07 C +ATOM 491 CE LYS A 66 43.322 57.840 51.227 0.50 34.52 C +ATOM 492 NZ LYS A 66 42.405 57.716 52.375 0.50 36.00 N +ATOM 493 N SER A 67 46.145 56.847 46.803 1.00 38.01 N +ATOM 494 CA SER A 67 47.110 55.738 46.878 1.00 39.15 C +ATOM 495 C SER A 67 46.448 54.512 47.511 1.00 37.81 C +ATOM 496 O SER A 67 45.785 54.612 48.544 1.00 36.27 O +ATOM 497 CB SER A 67 48.336 56.147 47.697 1.00 40.52 C +ATOM 498 OG SER A 67 48.342 57.535 47.973 1.00 49.44 O +ATOM 499 N GLY A 68 46.581 53.366 46.848 1.00 36.25 N +ATOM 500 CA GLY A 68 46.013 52.121 47.328 1.00 30.85 C +ATOM 501 C GLY A 68 44.543 51.967 47.140 1.00 28.89 C +ATOM 502 O GLY A 68 43.928 50.979 47.589 1.00 31.77 O +ATOM 503 N ARG A 69 43.879 52.879 46.412 1.00 28.03 N +ATOM 504 CA ARG A 69 42.469 52.700 46.140 1.00 25.96 C +ATOM 505 C ARG A 69 42.256 52.074 44.754 1.00 24.78 C +ATOM 506 O ARG A 69 42.770 52.588 43.758 1.00 27.30 O +ATOM 507 CB ARG A 69 41.690 53.992 46.274 1.00 24.68 C +ATOM 508 CG ARG A 69 40.248 53.893 45.810 1.00 22.23 C +ATOM 509 CD ARG A 69 39.599 55.276 45.756 1.00 23.67 C +ATOM 510 NE ARG A 69 39.316 55.767 47.088 1.00 22.09 N +ATOM 511 CZ ARG A 69 39.323 57.034 47.471 1.00 21.85 C +ATOM 512 NH1 ARG A 69 39.357 57.987 46.548 1.00 25.96 N +ATOM 513 NH2 ARG A 69 39.117 57.340 48.733 1.00 25.99 N +ATOM 514 N THR A 70 41.532 50.990 44.741 1.00 22.99 N +ATOM 515 CA THR A 70 41.138 50.235 43.562 1.00 21.85 C +ATOM 516 C THR A 70 39.624 50.427 43.342 1.00 21.81 C +ATOM 517 O THR A 70 38.855 50.489 44.312 1.00 22.33 O +ATOM 518 CB THR A 70 41.412 48.719 43.771 1.00 23.89 C +ATOM 519 OG1 THR A 70 42.842 48.505 43.830 1.00 29.49 O +ATOM 520 CG2 THR A 70 40.955 47.906 42.576 1.00 26.48 C +ATOM 521 N TRP A 71 39.230 50.539 42.089 1.00 20.46 N +ATOM 522 CA TRP A 71 37.821 50.625 41.710 1.00 20.70 C +ATOM 523 C TRP A 71 37.395 49.337 40.990 1.00 18.50 C +ATOM 524 O TRP A 71 38.162 48.781 40.223 1.00 18.82 O +ATOM 525 CB TRP A 71 37.607 51.830 40.755 1.00 20.31 C +ATOM 526 CG TRP A 71 37.715 53.145 41.478 1.00 19.20 C +ATOM 527 CD1 TRP A 71 38.809 53.938 41.576 1.00 19.14 C +ATOM 528 CD2 TRP A 71 36.669 53.792 42.219 1.00 18.30 C +ATOM 529 NE1 TRP A 71 38.519 55.059 42.323 1.00 19.34 N +ATOM 530 CE2 TRP A 71 37.213 55.003 42.729 1.00 18.59 C +ATOM 531 CE3 TRP A 71 35.340 53.505 42.493 1.00 17.00 C +ATOM 532 CZ2 TRP A 71 36.468 55.901 43.493 1.00 18.88 C +ATOM 533 CZ3 TRP A 71 34.594 54.385 43.259 1.00 17.34 C +ATOM 534 CH2 TRP A 71 35.167 55.570 43.760 1.00 16.87 C +ATOM 535 N ARG A 72 36.162 48.940 41.228 1.00 16.50 N +ATOM 536 CA ARG A 72 35.509 47.836 40.546 1.00 15.27 C +ATOM 537 C ARG A 72 34.104 48.247 40.126 1.00 15.39 C +ATOM 538 O ARG A 72 33.551 49.229 40.623 1.00 15.08 O +ATOM 539 CB ARG A 72 35.444 46.596 41.446 1.00 16.24 C +ATOM 540 CG ARG A 72 36.801 46.007 41.779 1.00 18.83 C +ATOM 541 CD ARG A 72 36.722 44.792 42.655 1.00 21.89 C +ATOM 542 NE ARG A 72 38.003 44.195 42.893 1.00 25.56 N +ATOM 543 CZ ARG A 72 38.716 43.410 42.138 1.00 23.20 C +ATOM 544 NH1 ARG A 72 38.183 42.826 41.050 1.00 29.44 N +ATOM 545 NH2 ARG A 72 39.987 43.133 42.457 1.00 31.78 N +ATOM 546 N GLU A 73 33.552 47.491 39.172 1.00 13.40 N +ATOM 547 CA GLU A 73 32.251 47.799 38.616 1.00 13.62 C +ATOM 548 C GLU A 73 31.320 46.597 38.647 1.00 13.26 C +ATOM 549 O GLU A 73 31.776 45.453 38.685 1.00 13.95 O +ATOM 550 CB GLU A 73 32.393 48.305 37.172 1.00 14.21 C +ATOM 551 CG GLU A 73 33.074 47.318 36.230 1.00 15.49 C +ATOM 552 CD GLU A 73 32.856 47.705 34.769 1.00 17.41 C +ATOM 553 OE1 GLU A 73 31.677 47.799 34.359 1.00 19.05 O +ATOM 554 OE2 GLU A 73 33.842 47.915 34.055 1.00 23.91 O +ATOM 555 N ALA A 74 30.033 46.874 38.548 1.00 12.04 N +ATOM 556 CA ALA A 74 29.023 45.824 38.369 1.00 10.65 C +ATOM 557 C ALA A 74 27.802 46.375 37.626 1.00 10.64 C +ATOM 558 O ALA A 74 27.473 47.566 37.741 1.00 11.25 O +ATOM 559 CB ALA A 74 28.606 45.273 39.717 1.00 12.85 C +ATOM 560 N ASP A 75 27.199 45.515 36.827 1.00 9.96 N +ATOM 561 CA ASP A 75 26.023 45.885 36.049 1.00 9.59 C +ATOM 562 C ASP A 75 24.793 45.992 36.975 1.00 10.08 C +ATOM 563 O ASP A 75 24.593 45.136 37.823 1.00 11.03 O +ATOM 564 CB ASP A 75 25.736 44.837 34.984 1.00 9.60 C +ATOM 565 CG ASP A 75 26.655 44.878 33.806 1.00 10.58 C +ATOM 566 OD1 ASP A 75 27.771 45.399 33.891 1.00 11.28 O +ATOM 567 OD2 ASP A 75 26.230 44.306 32.745 1.00 11.43 O +ATOM 568 N ILE A 76 23.952 46.980 36.692 1.00 9.92 N +ATOM 569 CA ILE A 76 22.729 47.200 37.466 1.00 10.89 C +ATOM 570 C ILE A 76 21.505 47.148 36.571 1.00 11.54 C +ATOM 571 O ILE A 76 21.562 47.530 35.376 1.00 11.88 O +ATOM 572 CB ILE A 76 22.822 48.530 38.213 1.00 10.63 C +ATOM 573 CG1 ILE A 76 23.977 48.549 39.224 1.00 11.17 C +ATOM 574 CG2 ILE A 76 21.533 49.036 38.791 1.00 11.74 C +ATOM 575 CD1 ILE A 76 23.733 47.645 40.411 1.00 14.19 C +ATOM 576 N ASN A 77 20.395 46.640 37.093 1.00 12.72 N +ATOM 577 CA ASN A 77 19.152 46.550 36.366 1.00 13.16 C +ATOM 578 C ASN A 77 19.148 45.563 35.221 1.00 13.65 C +ATOM 579 O ASN A 77 18.254 45.624 34.355 1.00 14.54 O +ATOM 580 CB ASN A 77 18.670 47.921 35.894 1.00 14.76 C +ATOM 581 CG ASN A 77 18.337 48.891 36.988 1.00 15.28 C +ATOM 582 OD1 ASN A 77 17.820 48.498 38.030 1.00 18.52 O +ATOM 583 ND2 ASN A 77 18.618 50.172 36.762 1.00 18.53 N +ATOM 584 N TYR A 78 20.084 44.628 35.158 1.00 12.62 N +ATOM 585 CA TYR A 78 20.085 43.667 34.048 1.00 12.04 C +ATOM 586 C TYR A 78 19.173 42.488 34.326 1.00 12.99 C +ATOM 587 O TYR A 78 19.223 41.883 35.405 1.00 14.11 O +ATOM 588 CB TYR A 78 21.560 43.132 33.890 1.00 12.14 C +ATOM 589 CG TYR A 78 21.630 42.147 32.736 1.00 11.71 C +ATOM 590 CD1 TYR A 78 21.570 42.594 31.428 1.00 11.82 C +ATOM 591 CD2 TYR A 78 21.592 40.783 32.971 1.00 12.35 C +ATOM 592 CE1 TYR A 78 21.561 41.704 30.348 1.00 11.32 C +ATOM 593 CE2 TYR A 78 21.525 39.900 31.916 1.00 11.94 C +ATOM 594 CZ TYR A 78 21.518 40.343 30.623 1.00 11.01 C +ATOM 595 OH TYR A 78 21.506 39.423 29.613 1.00 10.74 O +ATOM 596 N THR A 79 18.393 42.087 33.328 1.00 12.78 N +ATOM 597 CA THR A 79 17.623 40.866 33.371 1.00 16.35 C +ATOM 598 C THR A 79 17.921 39.962 32.191 1.00 15.21 C +ATOM 599 O THR A 79 18.090 38.748 32.342 1.00 15.67 O +ATOM 600 CB THR A 79 16.114 41.103 33.489 1.00 17.82 C +ATOM 601 OG1 THR A 79 15.695 41.935 32.416 1.00 19.65 O +ATOM 602 CG2 THR A 79 15.770 41.830 34.760 1.00 18.47 C +ATOM 603 N SER A 80 17.883 40.487 30.976 1.00 11.95 N +ATOM 604 CA SER A 80 18.072 39.656 29.786 1.00 12.04 C +ATOM 605 C SER A 80 18.465 40.546 28.609 1.00 10.89 C +ATOM 606 O SER A 80 18.291 41.762 28.651 1.00 13.93 O +ATOM 607 CB SER A 80 16.829 38.849 29.447 1.00 15.22 C +ATOM 608 OG SER A 80 15.748 39.662 29.099 1.00 17.95 O +ATOM 609 N GLY A 81 18.992 39.928 27.564 1.00 11.25 N +ATOM 610 CA GLY A 81 19.406 40.644 26.380 1.00 10.96 C +ATOM 611 C GLY A 81 20.803 41.208 26.451 1.00 8.92 C +ATOM 612 O GLY A 81 21.649 40.774 27.211 1.00 9.54 O +ATOM 613 N PHE A 82 21.038 42.222 25.603 1.00 11.10 N +ATOM 614 CA PHE A 82 22.309 42.916 25.637 1.00 12.09 C +ATOM 615 C PHE A 82 22.463 43.632 26.968 1.00 10.20 C +ATOM 616 O PHE A 82 21.474 44.026 27.598 1.00 11.13 O +ATOM 617 CB PHE A 82 22.380 43.926 24.483 1.00 10.60 C +ATOM 618 CG PHE A 82 22.528 43.258 23.121 1.00 11.12 C +ATOM 619 CD1 PHE A 82 23.772 42.918 22.638 1.00 11.21 C +ATOM 620 CD2 PHE A 82 21.422 42.951 22.350 1.00 11.71 C +ATOM 621 CE1 PHE A 82 23.915 42.280 21.428 1.00 11.86 C +ATOM 622 CE2 PHE A 82 21.549 42.267 21.164 1.00 13.03 C +ATOM 623 CZ PHE A 82 22.808 41.935 20.694 1.00 12.21 C +ATOM 624 N ARG A 83 23.691 43.879 27.402 1.00 11.02 N +ATOM 625 CA ARG A 83 23.909 44.707 28.580 1.00 11.54 C +ATOM 626 C ARG A 83 23.401 46.127 28.376 1.00 11.11 C +ATOM 627 O ARG A 83 23.337 46.653 27.280 1.00 13.20 O +ATOM 628 CB ARG A 83 25.395 44.722 28.950 1.00 11.86 C +ATOM 629 CG ARG A 83 25.930 43.345 29.333 1.00 12.53 C +ATOM 630 CD ARG A 83 27.446 43.306 29.404 1.00 12.84 C +ATOM 631 NE ARG A 83 27.974 44.076 30.505 1.00 13.33 N +ATOM 632 CZ ARG A 83 29.227 44.480 30.652 1.00 15.19 C +ATOM 633 NH1 ARG A 83 30.071 44.370 29.626 1.00 17.20 N +ATOM 634 NH2 ARG A 83 29.601 45.151 31.724 1.00 16.82 N +ATOM 635 N ASN A 84 22.994 46.747 29.472 1.00 10.79 N +ATOM 636 CA ASN A 84 22.495 48.118 29.438 1.00 12.47 C +ATOM 637 C ASN A 84 23.620 49.106 29.755 1.00 12.98 C +ATOM 638 O ASN A 84 24.810 48.745 29.675 1.00 14.07 O +ATOM 639 CB ASN A 84 21.315 48.259 30.407 1.00 12.26 C +ATOM 640 CG ASN A 84 21.707 47.949 31.845 1.00 11.88 C +ATOM 641 OD1 ASN A 84 22.874 48.117 32.210 1.00 13.50 O +ATOM 642 ND2 ASN A 84 20.737 47.554 32.646 1.00 15.93 N +ATOM 643 N SER A 85 23.293 50.320 30.113 1.00 12.40 N +ATOM 644 CA SER A 85 24.215 51.406 30.348 1.00 14.94 C +ATOM 645 C SER A 85 24.400 51.755 31.819 1.00 13.95 C +ATOM 646 O SER A 85 25.062 52.741 32.136 1.00 16.60 O +ATOM 647 CB ASER A 85 23.780 52.657 29.570 0.50 16.95 C +ATOM 648 CB BSER A 85 23.738 52.663 29.587 0.50 15.92 C +ATOM 649 OG ASER A 85 22.561 53.163 30.077 0.50 19.20 O +ATOM 650 OG BSER A 85 23.943 52.472 28.194 0.50 22.18 O +ATOM 651 N ASP A 86 23.807 50.958 32.689 1.00 11.96 N +ATOM 652 CA ASP A 86 23.785 51.236 34.118 1.00 10.56 C +ATOM 653 C ASP A 86 24.859 50.422 34.841 1.00 10.75 C +ATOM 654 O ASP A 86 24.920 49.213 34.747 1.00 11.00 O +ATOM 655 CB ASP A 86 22.422 50.871 34.699 1.00 12.76 C +ATOM 656 CG ASP A 86 21.253 51.693 34.206 1.00 14.93 C +ATOM 657 OD1 ASP A 86 21.454 52.751 33.585 1.00 19.19 O +ATOM 658 OD2 ASP A 86 20.092 51.265 34.445 1.00 19.15 O +ATOM 659 N ARG A 87 25.652 51.116 35.668 1.00 10.04 N +ATOM 660 CA ARG A 87 26.719 50.464 36.390 1.00 9.90 C +ATOM 661 C ARG A 87 26.854 51.127 37.789 1.00 9.18 C +ATOM 662 O ARG A 87 26.684 52.319 37.936 1.00 11.19 O +ATOM 663 CB ARG A 87 28.091 50.564 35.712 1.00 10.61 C +ATOM 664 CG ARG A 87 28.128 50.129 34.275 1.00 11.81 C +ATOM 665 CD ARG A 87 28.193 48.652 34.044 1.00 11.15 C +ATOM 666 NE ARG A 87 28.305 48.321 32.619 1.00 11.78 N +ATOM 667 CZ ARG A 87 27.292 48.176 31.795 1.00 11.84 C +ATOM 668 NH1 ARG A 87 26.016 48.170 32.271 1.00 13.04 N +ATOM 669 NH2 ARG A 87 27.476 47.936 30.525 1.00 15.27 N +ATOM 670 N ILE A 88 27.256 50.282 38.720 1.00 10.57 N +ATOM 671 CA ILE A 88 27.701 50.725 40.044 1.00 11.19 C +ATOM 672 C ILE A 88 29.227 50.639 40.063 1.00 10.18 C +ATOM 673 O ILE A 88 29.783 49.672 39.508 1.00 11.68 O +ATOM 674 CB ILE A 88 27.052 49.954 41.168 1.00 12.86 C +ATOM 675 CG1 ILE A 88 26.833 50.623 42.470 1.00 15.93 C +ATOM 676 CG2 ILE A 88 27.491 48.527 41.236 1.00 18.43 C +ATOM 677 CD1 ILE A 88 26.009 49.949 43.523 1.00 16.61 C +ATOM 678 N LEU A 89 29.852 51.655 40.639 1.00 10.80 N +ATOM 679 CA LEU A 89 31.310 51.741 40.770 1.00 12.15 C +ATOM 680 C LEU A 89 31.603 51.790 42.268 1.00 12.67 C +ATOM 681 O LEU A 89 31.058 52.622 42.983 1.00 13.69 O +ATOM 682 CB LEU A 89 31.852 52.986 40.058 1.00 15.13 C +ATOM 683 CG LEU A 89 32.111 52.895 38.571 1.00 16.78 C +ATOM 684 CD1 LEU A 89 33.290 52.024 38.207 1.00 17.34 C +ATOM 685 CD2 LEU A 89 30.879 52.547 37.777 1.00 21.29 C +ATOM 686 N TYR A 90 32.414 50.838 42.759 1.00 13.10 N +ATOM 687 CA TYR A 90 32.742 50.761 44.158 1.00 13.64 C +ATOM 688 C TYR A 90 34.241 50.653 44.391 1.00 14.29 C +ATOM 689 O TYR A 90 34.929 49.939 43.666 1.00 15.57 O +ATOM 690 CB TYR A 90 31.991 49.643 44.858 1.00 13.47 C +ATOM 691 CG TYR A 90 32.251 48.255 44.318 1.00 15.86 C +ATOM 692 CD1 TYR A 90 31.605 47.780 43.183 1.00 16.58 C +ATOM 693 CD2 TYR A 90 33.071 47.380 45.017 1.00 16.05 C +ATOM 694 CE1 TYR A 90 31.823 46.507 42.709 1.00 18.04 C +ATOM 695 CE2 TYR A 90 33.282 46.084 44.537 1.00 17.45 C +ATOM 696 CZ TYR A 90 32.670 45.657 43.394 1.00 18.19 C +ATOM 697 OH TYR A 90 32.853 44.348 42.927 1.00 19.13 O +ATOM 698 N SER A 91 34.726 51.367 45.395 1.00 16.53 N +ATOM 699 CA SER A 91 36.151 51.404 45.698 1.00 16.94 C +ATOM 700 C SER A 91 36.489 50.455 46.843 1.00 17.17 C +ATOM 701 O SER A 91 35.587 49.958 47.532 1.00 16.81 O +ATOM 702 CB SER A 91 36.586 52.827 46.061 1.00 16.27 C +ATOM 703 OG SER A 91 35.998 53.194 47.336 1.00 17.78 O +ATOM 704 N SER A 92 37.767 50.221 47.032 1.00 18.11 N +ATOM 705 CA SER A 92 38.284 49.342 48.058 1.00 18.36 C +ATOM 706 C SER A 92 38.041 49.920 49.451 1.00 19.91 C +ATOM 707 O SER A 92 38.030 49.181 50.443 1.00 23.28 O +ATOM 708 CB SER A 92 39.777 49.076 47.858 1.00 20.49 C +ATOM 709 OG SER A 92 40.449 50.239 47.486 1.00 27.50 O +ATOM 710 N ASP A 93 37.670 51.190 49.491 1.00 19.65 N +ATOM 711 CA ASP A 93 37.288 51.858 50.714 1.00 19.47 C +ATOM 712 C ASP A 93 35.823 52.181 50.786 1.00 18.67 C +ATOM 713 O ASP A 93 35.352 52.975 51.591 1.00 17.88 O +ATOM 714 CB ASP A 93 38.187 52.996 51.090 1.00 20.58 C +ATOM 715 CG ASP A 93 38.342 54.104 50.095 1.00 21.73 C +ATOM 716 OD1 ASP A 93 38.025 53.906 48.911 1.00 19.83 O +ATOM 717 OD2 ASP A 93 38.842 55.207 50.493 1.00 24.26 O +ATOM 718 N TRP A 94 35.005 51.560 49.918 1.00 16.89 N +ATOM 719 CA TRP A 94 33.585 51.604 50.050 1.00 17.13 C +ATOM 720 C TRP A 94 32.859 52.853 49.721 1.00 16.24 C +ATOM 721 O TRP A 94 31.681 53.071 50.084 1.00 17.68 O +ATOM 722 CB TRP A 94 33.081 50.848 51.268 1.00 20.14 C +ATOM 723 CG TRP A 94 33.759 49.506 51.378 1.00 22.03 C +ATOM 724 CD1 TRP A 94 34.700 49.131 52.294 1.00 22.23 C +ATOM 725 CD2 TRP A 94 33.605 48.402 50.478 1.00 24.21 C +ATOM 726 NE1 TRP A 94 35.117 47.850 52.028 1.00 24.16 N +ATOM 727 CE2 TRP A 94 34.449 47.375 50.927 1.00 25.63 C +ATOM 728 CE3 TRP A 94 32.811 48.175 49.350 1.00 25.72 C +ATOM 729 CZ2 TRP A 94 34.528 46.144 50.284 1.00 27.25 C +ATOM 730 CZ3 TRP A 94 32.885 46.945 48.711 1.00 27.39 C +ATOM 731 CH2 TRP A 94 33.736 45.939 49.185 1.00 28.37 C +ATOM 732 N LEU A 95 33.462 53.668 48.843 1.00 16.63 N +ATOM 733 CA LEU A 95 32.736 54.759 48.180 1.00 15.78 C +ATOM 734 C LEU A 95 31.932 54.165 47.013 1.00 16.02 C +ATOM 735 O LEU A 95 32.433 53.212 46.350 1.00 16.65 O +ATOM 736 CB LEU A 95 33.759 55.732 47.602 1.00 17.28 C +ATOM 737 CG LEU A 95 34.725 56.433 48.533 1.00 20.23 C +ATOM 738 CD1 LEU A 95 35.655 57.339 47.697 1.00 24.99 C +ATOM 739 CD2 LEU A 95 33.986 57.294 49.548 1.00 22.76 C +ATOM 740 N ILE A 96 30.723 54.622 46.813 1.00 13.46 N +ATOM 741 CA ILE A 96 29.869 54.035 45.760 1.00 12.81 C +ATOM 742 C ILE A 96 29.335 55.142 44.842 1.00 11.36 C +ATOM 743 O ILE A 96 28.756 56.096 45.329 1.00 11.74 O +ATOM 744 CB AILE A 96 28.623 53.376 46.423 0.50 13.28 C +ATOM 745 CB BILE A 96 28.716 53.221 46.329 0.50 13.18 C +ATOM 746 CG1AILE A 96 28.976 52.574 47.680 0.50 14.18 C +ATOM 747 CG1BILE A 96 29.162 52.165 47.360 0.50 13.90 C +ATOM 748 CG2AILE A 96 27.901 52.505 45.412 0.50 14.91 C +ATOM 749 CG2BILE A 96 27.910 52.556 45.217 0.50 13.78 C +ATOM 750 CD1AILE A 96 29.596 51.228 47.356 0.50 14.47 C +ATOM 751 CD1BILE A 96 28.036 51.337 47.902 0.50 17.78 C +ATOM 752 N TYR A 97 29.557 54.974 43.556 1.00 10.22 N +ATOM 753 CA TYR A 97 29.127 55.886 42.523 1.00 10.88 C +ATOM 754 C TYR A 97 28.232 55.128 41.538 1.00 11.72 C +ATOM 755 O TYR A 97 28.293 53.906 41.391 1.00 12.21 O +ATOM 756 CB TYR A 97 30.327 56.512 41.782 1.00 12.41 C +ATOM 757 CG TYR A 97 31.008 57.600 42.569 1.00 11.71 C +ATOM 758 CD1 TYR A 97 31.861 57.282 43.633 1.00 11.99 C +ATOM 759 CD2 TYR A 97 30.825 58.949 42.286 1.00 12.71 C +ATOM 760 CE1 TYR A 97 32.477 58.253 44.403 1.00 13.43 C +ATOM 761 CE2 TYR A 97 31.464 59.915 43.052 1.00 14.09 C +ATOM 762 CZ TYR A 97 32.329 59.571 44.056 1.00 14.00 C +ATOM 763 OH TYR A 97 32.913 60.557 44.840 1.00 14.92 O +ATOM 764 N LYS A 98 27.439 55.905 40.842 1.00 11.31 N +ATOM 765 CA LYS A 98 26.570 55.380 39.791 1.00 14.92 C +ATOM 766 C LYS A 98 26.864 56.075 38.476 1.00 11.02 C +ATOM 767 O LYS A 98 27.154 57.276 38.444 1.00 14.20 O +ATOM 768 CB LYS A 98 25.141 55.574 40.212 1.00 19.73 C +ATOM 769 CG LYS A 98 24.180 56.287 39.373 1.00 22.04 C +ATOM 770 CD LYS A 98 22.767 56.173 39.905 1.00 23.86 C +ATOM 771 CE LYS A 98 22.158 57.511 40.237 1.00 25.31 C +ATOM 772 NZ LYS A 98 20.653 57.400 40.132 1.00 32.15 N +ATOM 773 N THR A 99 26.703 55.332 37.396 1.00 11.21 N +ATOM 774 CA THR A 99 26.631 55.867 36.065 1.00 13.28 C +ATOM 775 C THR A 99 25.416 55.268 35.345 1.00 13.45 C +ATOM 776 O THR A 99 25.129 54.072 35.519 1.00 13.47 O +ATOM 777 CB THR A 99 27.894 55.709 35.235 1.00 13.61 C +ATOM 778 OG1 THR A 99 27.742 56.188 33.910 1.00 14.56 O +ATOM 779 CG2 THR A 99 28.291 54.230 35.090 1.00 13.95 C +ATOM 780 N THR A 100 24.715 56.060 34.566 1.00 14.21 N +ATOM 781 CA THR A 100 23.619 55.522 33.745 1.00 15.00 C +ATOM 782 C THR A 100 23.861 55.860 32.280 1.00 15.62 C +ATOM 783 O THR A 100 22.961 55.769 31.450 1.00 18.33 O +ATOM 784 CB THR A 100 22.255 56.088 34.187 1.00 15.50 C +ATOM 785 OG1 THR A 100 22.323 57.510 34.193 1.00 19.63 O +ATOM 786 CG2 THR A 100 21.916 55.646 35.595 1.00 18.50 C +ATOM 787 N ASP A 101 25.092 56.285 31.982 1.00 17.78 N +ATOM 788 CA ASP A 101 25.448 56.719 30.639 1.00 18.50 C +ATOM 789 C ASP A 101 26.698 56.096 30.100 1.00 18.57 C +ATOM 790 O ASP A 101 27.512 56.725 29.412 1.00 21.06 O +ATOM 791 CB ASP A 101 25.473 58.242 30.555 1.00 18.97 C +ATOM 792 CG ASP A 101 26.502 58.918 31.411 1.00 18.39 C +ATOM 793 OD1 ASP A 101 27.330 58.261 32.057 1.00 18.63 O +ATOM 794 OD2 ASP A 101 26.501 60.183 31.418 1.00 22.23 O +ATOM 795 N HIS A 102 26.937 54.822 30.461 1.00 19.35 N +ATOM 796 CA HIS A 102 28.104 54.110 29.968 1.00 18.33 C +ATOM 797 C HIS A 102 29.412 54.793 30.363 1.00 17.70 C +ATOM 798 O HIS A 102 30.316 54.941 29.549 1.00 20.81 O +ATOM 799 CB HIS A 102 28.066 53.916 28.440 1.00 23.18 C +ATOM 800 CG HIS A 102 27.578 52.571 28.033 1.00 26.09 C +ATOM 801 ND1 HIS A 102 26.337 52.378 27.444 1.00 30.22 N +ATOM 802 CD2 HIS A 102 28.104 51.325 28.205 1.00 28.68 C +ATOM 803 CE1 HIS A 102 26.132 51.100 27.275 1.00 33.19 C +ATOM 804 NE2 HIS A 102 27.185 50.440 27.744 1.00 32.82 N +ATOM 805 N TYR A 103 29.534 55.160 31.633 1.00 17.45 N +ATOM 806 CA TYR A 103 30.778 55.637 32.213 1.00 19.43 C +ATOM 807 C TYR A 103 31.152 57.036 31.801 1.00 20.70 C +ATOM 808 O TYR A 103 32.322 57.451 31.990 1.00 22.74 O +ATOM 809 CB TYR A 103 31.941 54.690 31.970 1.00 20.36 C +ATOM 810 CG TYR A 103 31.699 53.215 32.088 1.00 19.16 C +ATOM 811 CD1 TYR A 103 31.786 52.519 33.276 1.00 17.53 C +ATOM 812 CD2 TYR A 103 31.517 52.456 30.912 1.00 21.63 C +ATOM 813 CE1 TYR A 103 31.599 51.129 33.312 1.00 15.87 C +ATOM 814 CE2 TYR A 103 31.280 51.108 30.953 1.00 19.00 C +ATOM 815 CZ TYR A 103 31.347 50.437 32.168 1.00 15.41 C +ATOM 816 OH TYR A 103 31.143 49.061 32.161 1.00 18.13 O +ATOM 817 N GLN A 104 30.238 57.807 31.221 1.00 19.88 N +ATOM 818 CA GLN A 104 30.617 59.181 30.831 1.00 21.35 C +ATOM 819 C GLN A 104 30.586 60.118 32.026 1.00 21.37 C +ATOM 820 O GLN A 104 31.447 60.985 32.169 1.00 24.13 O +ATOM 821 CB GLN A 104 29.657 59.691 29.760 1.00 21.71 C +ATOM 822 CG GLN A 104 29.776 58.921 28.453 1.00 32.05 C +ATOM 823 CD GLN A 104 28.840 59.460 27.391 1.00 32.02 C +ATOM 824 OE1 GLN A 104 29.242 60.269 26.570 1.00 32.95 O +ATOM 825 NE2 GLN A 104 27.583 59.008 27.445 1.00 35.06 N +ATOM 826 N THR A 105 29.555 59.966 32.856 1.00 21.35 N +ATOM 827 CA THR A 105 29.432 60.791 34.054 1.00 22.99 C +ATOM 828 C THR A 105 29.050 59.899 35.245 1.00 18.49 C +ATOM 829 O THR A 105 28.453 58.859 35.090 1.00 15.88 O +ATOM 830 CB THR A 105 28.388 61.894 33.902 1.00 25.14 C +ATOM 831 OG1 THR A 105 27.090 61.367 33.781 1.00 23.71 O +ATOM 832 CG2 THR A 105 28.656 62.762 32.683 1.00 24.95 C +ATOM 833 N PHE A 106 29.443 60.377 36.418 1.00 16.86 N +ATOM 834 CA PHE A 106 29.228 59.634 37.647 1.00 14.44 C +ATOM 835 C PHE A 106 28.630 60.571 38.706 1.00 13.97 C +ATOM 836 O PHE A 106 29.004 61.739 38.750 1.00 17.83 O +ATOM 837 CB PHE A 106 30.584 59.122 38.171 1.00 15.80 C +ATOM 838 CG PHE A 106 31.277 58.166 37.234 1.00 16.33 C +ATOM 839 CD1 PHE A 106 30.988 56.812 37.196 1.00 16.79 C +ATOM 840 CD2 PHE A 106 32.234 58.675 36.352 1.00 16.89 C +ATOM 841 CE1 PHE A 106 31.595 55.960 36.282 1.00 16.81 C +ATOM 842 CE2 PHE A 106 32.853 57.816 35.462 1.00 17.23 C +ATOM 843 CZ PHE A 106 32.576 56.472 35.473 1.00 17.40 C +ATOM 844 N THR A 107 27.826 59.993 39.569 1.00 13.00 N +ATOM 845 CA THR A 107 27.361 60.727 40.752 1.00 13.97 C +ATOM 846 C THR A 107 27.481 59.830 41.978 1.00 13.43 C +ATOM 847 O THR A 107 27.308 58.600 41.877 1.00 11.77 O +ATOM 848 CB THR A 107 25.901 61.175 40.593 1.00 14.59 C +ATOM 849 OG1 THR A 107 25.065 60.072 40.377 1.00 19.65 O +ATOM 850 CG2 THR A 107 25.764 62.162 39.467 1.00 16.06 C +ATOM 851 N LYS A 108 27.772 60.423 43.111 1.00 11.11 N +ATOM 852 CA LYS A 108 27.924 59.599 44.349 1.00 10.65 C +ATOM 853 C LYS A 108 26.552 59.170 44.858 1.00 10.00 C +ATOM 854 O LYS A 108 25.592 59.958 44.873 1.00 11.99 O +ATOM 855 CB LYS A 108 28.537 60.542 45.403 1.00 12.38 C +ATOM 856 CG LYS A 108 28.868 59.876 46.714 1.00 12.26 C +ATOM 857 CD LYS A 108 29.582 60.886 47.647 1.00 15.49 C +ATOM 858 CE LYS A 108 29.741 60.298 49.034 1.00 14.76 C +ATOM 859 NZ LYS A 108 30.747 59.205 49.066 1.00 18.56 N +ATOM 860 N ILE A 109 26.435 57.920 45.294 1.00 10.25 N +ATOM 861 CA ILE A 109 25.209 57.445 45.913 1.00 10.96 C +ATOM 862 C ILE A 109 25.423 56.879 47.315 1.00 11.60 C +ATOM 863 O ILE A 109 24.428 56.729 48.032 1.00 12.61 O +ATOM 864 CB ILE A 109 24.488 56.412 45.036 1.00 11.43 C +ATOM 865 CG1 ILE A 109 25.244 55.151 44.716 1.00 12.61 C +ATOM 866 CG2 ILE A 109 23.931 57.101 43.806 1.00 12.56 C +ATOM 867 CD1 ILE A 109 24.460 53.993 44.160 1.00 13.99 C +ATOM 868 N ARG A 110 26.646 56.621 47.736 1.00 12.10 N +ATOM 869 CA ARG A 110 27.033 56.297 49.061 1.00 12.73 C +ATOM 870 C ARG A 110 28.442 56.843 49.414 1.00 14.19 C +ATOM 871 O ARG A 110 28.707 57.047 50.614 1.00 20.57 O +ATOM 872 CB ARG A 110 26.957 54.879 49.506 1.00 13.31 C +ATOM 873 CG ARG A 110 25.692 54.073 49.245 1.00 13.37 C +ATOM 874 CD ARG A 110 24.573 54.428 50.204 1.00 14.07 C +ATOM 875 NE ARG A 110 23.404 53.563 50.069 1.00 14.69 N +ATOM 876 CZ ARG A 110 22.439 53.681 49.181 1.00 13.99 C +ATOM 877 NH1 ARG A 110 22.472 54.683 48.314 1.00 14.54 N +ATOM 878 NH2 ARG A 110 21.426 52.821 49.119 1.00 16.55 N +ATOM 879 OXT ARG A 110 29.332 56.795 48.546 1.00 14.66 O +TER 880 ARG A 110 +END diff --git a/bench/main_benchmark/structures/SFB_OL_BARNASE_1A2PA_1YVSA/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_BARNASE_1A2PA_1YVSA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a388845f4ef972f1116822cf2f8afdce0159709a --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_BARNASE_1A2PA_1YVSA/state_b.pdb @@ -0,0 +1,866 @@ +ATOM 1 N VAL A 3 -19.675 -0.999 59.554 1.00 41.23 N +ATOM 2 CA VAL A 3 -20.796 -0.699 58.609 1.00 43.29 C +ATOM 3 C VAL A 3 -20.696 0.740 58.059 1.00 39.15 C +ATOM 4 O VAL A 3 -20.125 0.931 56.989 1.00 39.41 O +ATOM 5 CB VAL A 3 -22.226 -1.048 59.230 1.00 47.89 C +ATOM 6 CG1 VAL A 3 -22.535 -0.206 60.480 1.00 50.47 C +ATOM 7 CG2 VAL A 3 -23.331 -0.900 58.185 1.00 49.38 C +ATOM 8 N ILE A 4 -21.203 1.743 58.782 1.00 34.11 N +ATOM 9 CA ILE A 4 -21.142 3.143 58.333 1.00 28.75 C +ATOM 10 C ILE A 4 -20.064 3.903 59.112 1.00 27.28 C +ATOM 11 O ILE A 4 -20.234 4.162 60.307 1.00 27.40 O +ATOM 12 CB ILE A 4 -22.484 3.902 58.578 1.00 28.92 C +ATOM 13 CG1 ILE A 4 -23.689 3.125 58.032 1.00 28.15 C +ATOM 14 CG2 ILE A 4 -22.439 5.263 57.889 1.00 27.02 C +ATOM 15 CD1 ILE A 4 -23.649 2.911 56.545 1.00 36.70 C +ATOM 16 N ASN A 5 -18.978 4.294 58.443 1.00 25.33 N +ATOM 17 CA ASN A 5 -17.913 5.035 59.129 1.00 26.11 C +ATOM 18 C ASN A 5 -17.190 6.146 58.334 1.00 24.27 C +ATOM 19 O ASN A 5 -16.083 6.560 58.699 1.00 23.17 O +ATOM 20 CB ASN A 5 -16.896 4.065 59.750 1.00 26.85 C +ATOM 21 CG ASN A 5 -15.971 3.449 58.729 1.00 28.76 C +ATOM 22 OD1 ASN A 5 -16.309 3.347 57.547 1.00 27.53 O +ATOM 23 ND2 ASN A 5 -14.785 3.046 59.175 1.00 27.46 N +ATOM 24 N THR A 6 -17.816 6.637 57.265 1.00 21.79 N +ATOM 25 CA THR A 6 -17.226 7.709 56.460 1.00 21.46 C +ATOM 26 C THR A 6 -17.823 9.036 56.887 1.00 21.10 C +ATOM 27 O THR A 6 -18.880 9.066 57.515 1.00 20.84 O +ATOM 28 CB THR A 6 -17.501 7.517 54.963 1.00 21.04 C +ATOM 29 OG1 THR A 6 -18.909 7.395 54.753 1.00 21.52 O +ATOM 30 CG2 THR A 6 -16.807 6.278 54.453 1.00 23.06 C +ATOM 31 N PHE A 7 -17.167 10.132 56.526 1.00 20.98 N +ATOM 32 CA PHE A 7 -17.655 11.462 56.883 1.00 21.07 C +ATOM 33 C PHE A 7 -19.074 11.728 56.391 1.00 23.13 C +ATOM 34 O PHE A 7 -19.943 12.141 57.173 1.00 20.89 O +ATOM 35 CB PHE A 7 -16.712 12.539 56.354 1.00 22.01 C +ATOM 36 CG PHE A 7 -15.509 12.772 57.224 1.00 18.76 C +ATOM 37 CD1 PHE A 7 -15.656 13.308 58.500 1.00 21.86 C +ATOM 38 CD2 PHE A 7 -14.231 12.470 56.768 1.00 19.58 C +ATOM 39 CE1 PHE A 7 -14.540 13.543 59.311 1.00 22.44 C +ATOM 40 CE2 PHE A 7 -13.105 12.701 57.573 1.00 18.76 C +ATOM 41 CZ PHE A 7 -13.258 13.235 58.840 1.00 19.78 C +ATOM 42 N ASP A 8 -19.319 11.444 55.114 1.00 21.20 N +ATOM 43 CA ASP A 8 -20.641 11.653 54.530 1.00 21.01 C +ATOM 44 C ASP A 8 -21.654 10.590 54.937 1.00 19.41 C +ATOM 45 O ASP A 8 -22.839 10.886 55.059 1.00 22.52 O +ATOM 46 CB ASP A 8 -20.562 11.786 52.997 1.00 20.57 C +ATOM 47 CG ASP A 8 -19.854 13.063 52.558 1.00 26.05 C +ATOM 48 OD1 ASP A 8 -20.330 14.169 52.909 1.00 26.60 O +ATOM 49 OD2 ASP A 8 -18.820 12.961 51.858 1.00 26.04 O +ATOM 50 N GLY A 9 -21.205 9.353 55.124 1.00 16.54 N +ATOM 51 CA GLY A 9 -22.122 8.306 55.537 1.00 15.20 C +ATOM 52 C GLY A 9 -22.642 8.561 56.946 1.00 17.27 C +ATOM 53 O GLY A 9 -23.829 8.412 57.229 1.00 18.07 O +ATOM 54 N VAL A 10 -21.748 8.970 57.837 1.00 15.90 N +ATOM 55 CA VAL A 10 -22.132 9.230 59.210 1.00 16.51 C +ATOM 56 C VAL A 10 -22.972 10.508 59.332 1.00 18.20 C +ATOM 57 O VAL A 10 -23.999 10.510 60.015 1.00 16.31 O +ATOM 58 CB VAL A 10 -20.894 9.246 60.146 1.00 15.59 C +ATOM 59 CG1 VAL A 10 -21.304 9.628 61.583 1.00 11.80 C +ATOM 60 CG2 VAL A 10 -20.245 7.871 60.136 1.00 12.19 C +ATOM 61 N ALA A 11 -22.570 11.567 58.624 1.00 19.47 N +ATOM 62 CA ALA A 11 -23.306 12.839 58.636 1.00 19.25 C +ATOM 63 C ALA A 11 -24.750 12.666 58.167 1.00 19.71 C +ATOM 64 O ALA A 11 -25.657 13.228 58.768 1.00 21.30 O +ATOM 65 CB ALA A 11 -22.588 13.884 57.778 1.00 19.85 C +ATOM 66 N ASP A 12 -24.969 11.882 57.115 1.00 20.31 N +ATOM 67 CA ASP A 12 -26.323 11.659 56.614 1.00 24.89 C +ATOM 68 C ASP A 12 -27.157 10.836 57.590 1.00 25.90 C +ATOM 69 O ASP A 12 -28.349 11.095 57.754 1.00 28.92 O +ATOM 70 CB ASP A 12 -26.322 10.970 55.238 1.00 28.54 C +ATOM 71 CG ASP A 12 -25.666 11.818 54.141 1.00 32.81 C +ATOM 72 OD1 ASP A 12 -25.741 13.070 54.200 1.00 34.17 O +ATOM 73 OD2 ASP A 12 -25.077 11.221 53.216 1.00 31.34 O +ATOM 74 N TYR A 13 -26.540 9.829 58.206 1.00 23.72 N +ATOM 75 CA TYR A 13 -27.226 8.981 59.178 1.00 20.85 C +ATOM 76 C TYR A 13 -27.651 9.820 60.401 1.00 20.32 C +ATOM 77 O TYR A 13 -28.767 9.688 60.898 1.00 21.70 O +ATOM 78 CB TYR A 13 -26.315 7.826 59.609 1.00 19.41 C +ATOM 79 CG TYR A 13 -27.043 6.743 60.372 1.00 20.64 C +ATOM 80 CD1 TYR A 13 -27.333 6.895 61.725 1.00 19.72 C +ATOM 81 CD2 TYR A 13 -27.483 5.583 59.728 1.00 21.13 C +ATOM 82 CE1 TYR A 13 -28.052 5.928 62.415 1.00 21.63 C +ATOM 83 CE2 TYR A 13 -28.199 4.609 60.415 1.00 21.21 C +ATOM 84 CZ TYR A 13 -28.480 4.792 61.758 1.00 20.81 C +ATOM 85 OH TYR A 13 -29.203 3.850 62.456 1.00 25.77 O +ATOM 86 N LEU A 14 -26.765 10.703 60.857 1.00 20.14 N +ATOM 87 CA LEU A 14 -27.058 11.573 61.989 1.00 21.14 C +ATOM 88 C LEU A 14 -28.237 12.499 61.693 1.00 25.30 C +ATOM 89 O LEU A 14 -29.077 12.727 62.557 1.00 25.99 O +ATOM 90 CB LEU A 14 -25.835 12.413 62.356 1.00 18.09 C +ATOM 91 CG LEU A 14 -24.696 11.753 63.135 1.00 21.01 C +ATOM 92 CD1 LEU A 14 -23.494 12.692 63.157 1.00 18.58 C +ATOM 93 CD2 LEU A 14 -25.139 11.408 64.556 1.00 20.08 C +ATOM 94 N GLN A 15 -28.313 13.015 60.469 1.00 27.49 N +ATOM 95 CA GLN A 15 -29.397 13.918 60.087 1.00 31.28 C +ATOM 96 C GLN A 15 -30.754 13.253 59.975 1.00 29.94 C +ATOM 97 O GLN A 15 -31.794 13.849 60.264 1.00 33.25 O +ATOM 98 CB GLN A 15 -29.064 14.616 58.775 1.00 34.85 C +ATOM 99 CG GLN A 15 -28.442 15.958 59.016 1.00 40.36 C +ATOM 100 CD GLN A 15 -28.117 16.719 57.744 1.00 46.78 C +ATOM 101 OE1 GLN A 15 -27.980 16.146 56.644 1.00 46.33 O +ATOM 102 NE2 GLN A 15 -27.981 18.033 57.892 1.00 49.03 N +ATOM 103 N THR A 16 -30.724 12.007 59.547 1.00 28.92 N +ATOM 104 CA THR A 16 -31.915 11.222 59.366 1.00 28.79 C +ATOM 105 C THR A 16 -32.409 10.551 60.641 1.00 29.35 C +ATOM 106 O THR A 16 -33.599 10.610 60.950 1.00 31.52 O +ATOM 107 CB THR A 16 -31.659 10.159 58.291 1.00 29.34 C +ATOM 108 OG1 THR A 16 -31.303 10.815 57.071 1.00 30.70 O +ATOM 109 CG2 THR A 16 -32.873 9.309 58.076 1.00 28.38 C +ATOM 110 N TYR A 17 -31.508 9.919 61.387 1.00 27.40 N +ATOM 111 CA TYR A 17 -31.915 9.204 62.589 1.00 26.09 C +ATOM 112 C TYR A 17 -31.637 9.884 63.912 1.00 24.57 C +ATOM 113 O TYR A 17 -32.126 9.449 64.939 1.00 24.97 O +ATOM 114 CB TYR A 17 -31.325 7.792 62.581 1.00 26.26 C +ATOM 115 CG TYR A 17 -31.808 6.952 61.424 1.00 31.22 C +ATOM 116 CD1 TYR A 17 -33.022 6.268 61.493 1.00 34.31 C +ATOM 117 CD2 TYR A 17 -31.073 6.867 60.244 1.00 34.12 C +ATOM 118 CE1 TYR A 17 -33.496 5.511 60.415 1.00 36.11 C +ATOM 119 CE2 TYR A 17 -31.534 6.112 59.157 1.00 37.68 C +ATOM 120 CZ TYR A 17 -32.751 5.443 59.248 1.00 38.66 C +ATOM 121 OH TYR A 17 -33.223 4.719 58.173 1.00 43.85 O +ATOM 122 N HIS A 18 -30.854 10.951 63.885 1.00 26.77 N +ATOM 123 CA HIS A 18 -30.492 11.692 65.088 1.00 29.10 C +ATOM 124 C HIS A 18 -29.745 10.859 66.126 1.00 30.87 C +ATOM 125 O HIS A 18 -29.937 11.013 67.334 1.00 32.48 O +ATOM 126 CB HIS A 18 -31.709 12.385 65.702 1.00 30.08 C +ATOM 127 CG HIS A 18 -32.272 13.462 64.842 1.00 32.48 C +ATOM 128 ND1 HIS A 18 -33.592 13.853 64.893 1.00 35.24 N +ATOM 129 CD2 HIS A 18 -31.693 14.234 63.881 1.00 34.28 C +ATOM 130 CE1 HIS A 18 -33.803 14.813 64.012 1.00 36.99 C +ATOM 131 NE2 HIS A 18 -32.668 15.061 63.387 1.00 36.16 N +ATOM 132 N LYS A 19 -28.933 9.931 65.636 1.00 28.78 N +ATOM 133 CA LYS A 19 -28.111 9.104 66.501 1.00 28.47 C +ATOM 134 C LYS A 19 -27.087 8.407 65.634 1.00 25.04 C +ATOM 135 O LYS A 19 -27.240 8.350 64.414 1.00 24.17 O +ATOM 136 CB LYS A 19 -28.942 8.132 67.361 1.00 30.72 C +ATOM 137 CG LYS A 19 -29.509 6.916 66.680 1.00 39.74 C +ATOM 138 CD LYS A 19 -30.378 6.111 67.677 1.00 46.89 C +ATOM 139 CE LYS A 19 -29.626 5.722 68.964 1.00 54.78 C +ATOM 140 NZ LYS A 19 -29.827 4.304 69.472 1.00 56.96 N +ATOM 141 N LEU A 20 -25.983 8.003 66.247 1.00 20.92 N +ATOM 142 CA LEU A 20 -24.925 7.325 65.524 1.00 19.60 C +ATOM 143 C LEU A 20 -25.352 5.922 65.119 1.00 20.63 C +ATOM 144 O LEU A 20 -26.250 5.333 65.723 1.00 18.46 O +ATOM 145 CB LEU A 20 -23.664 7.234 66.379 1.00 16.76 C +ATOM 146 CG LEU A 20 -22.874 8.513 66.641 1.00 16.08 C +ATOM 147 CD1 LEU A 20 -21.855 8.232 67.710 1.00 16.64 C +ATOM 148 CD2 LEU A 20 -22.196 8.994 65.373 1.00 14.94 C +ATOM 149 N PRO A 21 -24.742 5.387 64.050 1.00 21.06 N +ATOM 150 CA PRO A 21 -25.041 4.047 63.556 1.00 20.05 C +ATOM 151 C PRO A 21 -24.714 3.019 64.649 1.00 22.36 C +ATOM 152 O PRO A 21 -23.980 3.313 65.593 1.00 22.83 O +ATOM 153 CB PRO A 21 -24.080 3.909 62.370 1.00 22.00 C +ATOM 154 CG PRO A 21 -23.932 5.299 61.879 1.00 21.28 C +ATOM 155 CD PRO A 21 -23.805 6.086 63.145 1.00 19.65 C +ATOM 156 N ASP A 22 -25.222 1.802 64.498 1.00 20.00 N +ATOM 157 CA ASP A 22 -25.008 0.731 65.461 1.00 20.00 C +ATOM 158 C ASP A 22 -23.552 0.235 65.618 1.00 20.00 C +ATOM 159 O ASP A 22 -23.277 -0.568 66.498 1.00 20.00 O +ATOM 160 CB ASP A 22 -25.884 -0.495 65.073 1.00 20.00 C +ATOM 161 CG ASP A 22 -27.387 -0.223 65.156 1.00 20.00 C +ATOM 162 OD1 ASP A 22 -27.836 0.667 65.973 1.00 20.00 O +ATOM 163 OD2 ASP A 22 -28.204 -0.887 64.412 1.00 20.00 O +ATOM 164 N ASN A 23 -22.631 0.708 64.771 1.00 24.47 N +ATOM 165 CA ASN A 23 -21.216 0.296 64.878 1.00 23.92 C +ATOM 166 C ASN A 23 -20.375 1.166 65.835 1.00 22.48 C +ATOM 167 O ASN A 23 -19.169 0.937 65.989 1.00 25.05 O +ATOM 168 CB ASN A 23 -20.541 0.199 63.492 1.00 23.97 C +ATOM 169 CG ASN A 23 -20.555 1.519 62.717 1.00 23.17 C +ATOM 170 OD1 ASN A 23 -21.618 2.039 62.396 1.00 27.97 O +ATOM 171 ND2 ASN A 23 -19.382 2.043 62.393 1.00 23.44 N +ATOM 172 N TYR A 24 -21.013 2.142 66.481 1.00 19.04 N +ATOM 173 CA TYR A 24 -20.357 3.044 67.422 1.00 17.72 C +ATOM 174 C TYR A 24 -20.657 2.745 68.877 1.00 19.80 C +ATOM 175 O TYR A 24 -21.793 2.426 69.225 1.00 18.41 O +ATOM 176 CB TYR A 24 -20.775 4.491 67.157 1.00 15.50 C +ATOM 177 CG TYR A 24 -20.086 5.085 65.962 1.00 16.97 C +ATOM 178 CD1 TYR A 24 -18.816 5.641 66.083 1.00 13.91 C +ATOM 179 CD2 TYR A 24 -20.675 5.043 64.698 1.00 16.75 C +ATOM 180 CE1 TYR A 24 -18.145 6.131 64.983 1.00 12.91 C +ATOM 181 CE2 TYR A 24 -20.009 5.540 63.581 1.00 16.09 C +ATOM 182 CZ TYR A 24 -18.745 6.085 63.731 1.00 15.72 C +ATOM 183 OH TYR A 24 -18.086 6.604 62.638 1.00 15.73 O +ATOM 184 N ILE A 25 -19.636 2.870 69.726 1.00 20.51 N +ATOM 185 CA ILE A 25 -19.779 2.670 71.175 1.00 18.66 C +ATOM 186 C ILE A 25 -18.964 3.762 71.857 1.00 18.15 C +ATOM 187 O ILE A 25 -17.934 4.184 71.325 1.00 19.00 O +ATOM 188 CB ILE A 25 -19.265 1.278 71.659 1.00 20.51 C +ATOM 189 CG1 ILE A 25 -17.826 1.037 71.209 1.00 18.57 C +ATOM 190 CG2 ILE A 25 -20.174 0.162 71.159 1.00 21.48 C +ATOM 191 CD1 ILE A 25 -17.256 -0.260 71.743 1.00 21.71 C +ATOM 192 N THR A 26 -19.436 4.243 73.004 1.00 14.54 N +ATOM 193 CA THR A 26 -18.733 5.280 73.743 1.00 14.44 C +ATOM 194 C THR A 26 -17.437 4.747 74.375 1.00 16.44 C +ATOM 195 O THR A 26 -17.184 3.538 74.386 1.00 14.54 O +ATOM 196 CB THR A 26 -19.622 5.855 74.845 1.00 15.72 C +ATOM 197 OG1 THR A 26 -19.898 4.828 75.800 1.00 17.42 O +ATOM 198 CG2 THR A 26 -20.939 6.352 74.261 1.00 18.16 C +ATOM 199 N LYS A 27 -16.613 5.656 74.889 1.00 18.75 N +ATOM 200 CA LYS A 27 -15.360 5.270 75.530 1.00 21.91 C +ATOM 201 C LYS A 27 -15.634 4.379 76.739 1.00 22.67 C +ATOM 202 O LYS A 27 -14.954 3.372 76.932 1.00 23.46 O +ATOM 203 CB LYS A 27 -14.550 6.505 75.933 1.00 23.61 C +ATOM 204 CG LYS A 27 -13.364 6.776 74.999 1.00 28.14 C +ATOM 205 CD LYS A 27 -12.722 8.137 75.206 1.00 31.36 C +ATOM 206 CE LYS A 27 -13.531 9.223 74.530 1.00 37.06 C +ATOM 207 NZ LYS A 27 -12.910 10.573 74.673 1.00 42.76 N +ATOM 208 N SER A 28 -16.685 4.698 77.490 1.00 19.65 N +ATOM 209 CA SER A 28 -17.060 3.903 78.659 1.00 22.33 C +ATOM 210 C SER A 28 -17.386 2.471 78.286 1.00 20.03 C +ATOM 211 O SER A 28 -16.920 1.528 78.925 1.00 23.05 O +ATOM 212 CB SER A 28 -18.287 4.497 79.339 1.00 22.07 C +ATOM 213 OG SER A 28 -17.945 5.699 79.988 1.00 30.86 O +ATOM 214 N GLU A 29 -18.226 2.318 77.269 1.00 18.94 N +ATOM 215 CA GLU A 29 -18.623 1.005 76.803 1.00 18.42 C +ATOM 216 C GLU A 29 -17.433 0.182 76.334 1.00 16.33 C +ATOM 217 O GLU A 29 -17.363 -1.011 76.597 1.00 18.16 O +ATOM 218 CB GLU A 29 -19.608 1.131 75.646 1.00 21.81 C +ATOM 219 CG GLU A 29 -20.948 1.713 75.981 1.00 26.56 C +ATOM 220 CD GLU A 29 -21.798 1.806 74.728 1.00 30.67 C +ATOM 221 OE1 GLU A 29 -21.630 2.789 73.983 1.00 32.70 O +ATOM 222 OE2 GLU A 29 -22.618 0.890 74.484 1.00 37.54 O +ATOM 223 N ALA A 30 -16.513 0.824 75.620 1.00 16.01 N +ATOM 224 CA ALA A 30 -15.312 0.167 75.108 1.00 16.86 C +ATOM 225 C ALA A 30 -14.470 -0.319 76.294 1.00 17.04 C +ATOM 226 O ALA A 30 -13.966 -1.445 76.296 1.00 14.59 O +ATOM 227 CB ALA A 30 -14.511 1.147 74.247 1.00 13.11 C +ATOM 228 N GLN A 31 -14.344 0.547 77.301 1.00 16.85 N +ATOM 229 CA GLN A 31 -13.583 0.248 78.513 1.00 18.92 C +ATOM 230 C GLN A 31 -14.210 -0.893 79.317 1.00 21.34 C +ATOM 231 O GLN A 31 -13.501 -1.757 79.829 1.00 18.20 O +ATOM 232 CB GLN A 31 -13.440 1.511 79.362 1.00 19.79 C +ATOM 233 CG GLN A 31 -12.421 2.478 78.777 1.00 20.10 C +ATOM 234 CD GLN A 31 -12.454 3.833 79.415 1.00 22.18 C +ATOM 235 OE1 GLN A 31 -11.772 4.744 78.965 1.00 26.32 O +ATOM 236 NE2 GLN A 31 -13.244 3.984 80.466 1.00 23.38 N +ATOM 237 N ALA A 32 -15.541 -0.906 79.382 1.00 19.09 N +ATOM 238 CA ALA A 32 -16.275 -1.953 80.079 1.00 20.04 C +ATOM 239 C ALA A 32 -15.945 -3.296 79.432 1.00 21.14 C +ATOM 240 O ALA A 32 -15.932 -4.341 80.099 1.00 20.88 O +ATOM 241 CB ALA A 32 -17.782 -1.687 79.991 1.00 15.10 C +ATOM 242 N LEU A 33 -15.662 -3.253 78.131 1.00 19.18 N +ATOM 243 CA LEU A 33 -15.329 -4.454 77.373 1.00 20.88 C +ATOM 244 C LEU A 33 -13.871 -4.892 77.465 1.00 19.91 C +ATOM 245 O LEU A 33 -13.513 -5.946 76.944 1.00 20.76 O +ATOM 246 CB LEU A 33 -15.730 -4.299 75.900 1.00 20.91 C +ATOM 247 CG LEU A 33 -17.216 -4.152 75.557 1.00 23.72 C +ATOM 248 CD1 LEU A 33 -17.389 -4.107 74.033 1.00 22.78 C +ATOM 249 CD2 LEU A 33 -18.001 -5.310 76.145 1.00 22.26 C +ATOM 250 N GLY A 34 -13.024 -4.074 78.083 1.00 19.24 N +ATOM 251 CA GLY A 34 -11.620 -4.435 78.210 1.00 19.88 C +ATOM 252 C GLY A 34 -10.611 -3.588 77.439 1.00 21.00 C +ATOM 253 O GLY A 34 -9.402 -3.830 77.541 1.00 22.33 O +ATOM 254 N TRP A 35 -11.083 -2.611 76.663 1.00 19.90 N +ATOM 255 CA TRP A 35 -10.195 -1.732 75.894 1.00 17.27 C +ATOM 256 C TRP A 35 -9.603 -0.627 76.767 1.00 17.26 C +ATOM 257 O TRP A 35 -10.327 0.048 77.495 1.00 17.63 O +ATOM 258 CB TRP A 35 -10.966 -1.073 74.741 1.00 17.92 C +ATOM 259 CG TRP A 35 -10.184 -0.022 73.994 1.00 16.68 C +ATOM 260 CD1 TRP A 35 -9.213 -0.235 73.053 1.00 15.88 C +ATOM 261 CD2 TRP A 35 -10.323 1.410 74.096 1.00 19.06 C +ATOM 262 NE1 TRP A 35 -8.749 0.960 72.562 1.00 14.74 N +ATOM 263 CE2 TRP A 35 -9.414 1.985 73.182 1.00 18.99 C +ATOM 264 CE3 TRP A 35 -11.139 2.253 74.870 1.00 17.18 C +ATOM 265 CZ2 TRP A 35 -9.288 3.375 73.012 1.00 21.83 C +ATOM 266 CZ3 TRP A 35 -11.010 3.641 74.700 1.00 20.00 C +ATOM 267 CH2 TRP A 35 -10.092 4.183 73.775 1.00 20.01 C +ATOM 268 N VAL A 36 -8.288 -0.445 76.688 1.00 15.16 N +ATOM 269 CA VAL A 36 -7.617 0.613 77.435 1.00 16.97 C +ATOM 270 C VAL A 36 -6.838 1.398 76.396 1.00 19.21 C +ATOM 271 O VAL A 36 -5.952 0.845 75.752 1.00 21.38 O +ATOM 272 CB VAL A 36 -6.627 0.068 78.505 1.00 17.94 C +ATOM 273 CG1 VAL A 36 -5.990 1.224 79.254 1.00 16.73 C +ATOM 274 CG2 VAL A 36 -7.343 -0.851 79.486 1.00 17.27 C +ATOM 275 N ALA A 37 -7.193 2.669 76.210 1.00 20.32 N +ATOM 276 CA ALA A 37 -6.523 3.522 75.226 1.00 23.93 C +ATOM 277 C ALA A 37 -5.009 3.509 75.410 1.00 24.37 C +ATOM 278 O ALA A 37 -4.503 3.681 76.523 1.00 25.99 O +ATOM 279 CB ALA A 37 -7.044 4.960 75.313 1.00 21.38 C +ATOM 280 N SER A 38 -4.285 3.262 74.327 1.00 23.31 N +ATOM 281 CA SER A 38 -2.834 3.246 74.394 1.00 21.20 C +ATOM 282 C SER A 38 -2.296 4.674 74.417 1.00 22.36 C +ATOM 283 O SER A 38 -2.926 5.601 73.885 1.00 19.83 O +ATOM 284 CB SER A 38 -2.256 2.495 73.195 1.00 22.96 C +ATOM 285 OG SER A 38 -0.843 2.595 73.158 1.00 19.84 O +ATOM 286 N LYS A 39 -1.160 4.844 75.092 1.00 21.28 N +ATOM 287 CA LYS A 39 -0.486 6.124 75.178 1.00 21.53 C +ATOM 288 C LYS A 39 0.843 6.040 74.429 1.00 22.90 C +ATOM 289 O LYS A 39 1.662 6.965 74.497 1.00 22.53 O +ATOM 290 CB LYS A 39 -0.275 6.501 76.634 1.00 23.03 C +ATOM 291 CG LYS A 39 -1.483 7.208 77.219 1.00 32.01 C +ATOM 292 CD LYS A 39 -1.569 7.093 78.745 1.00 38.66 C +ATOM 293 CE LYS A 39 -0.483 7.898 79.449 1.00 45.47 C +ATOM 294 NZ LYS A 39 -0.621 7.806 80.933 1.00 46.34 N +ATOM 295 N GLY A 40 1.003 4.959 73.655 1.00 19.97 N +ATOM 296 CA GLY A 40 2.218 4.716 72.900 1.00 16.37 C +ATOM 297 C GLY A 40 2.373 5.335 71.517 1.00 18.15 C +ATOM 298 O GLY A 40 3.417 5.158 70.888 1.00 18.29 O +ATOM 299 N ASN A 41 1.359 6.040 71.026 1.00 17.22 N +ATOM 300 CA ASN A 41 1.432 6.675 69.709 1.00 17.64 C +ATOM 301 C ASN A 41 1.851 8.141 69.907 1.00 18.85 C +ATOM 302 O ASN A 41 1.038 8.971 70.318 1.00 17.49 O +ATOM 303 CB ASN A 41 0.063 6.586 69.021 1.00 18.25 C +ATOM 304 CG ASN A 41 0.080 7.098 67.597 1.00 22.41 C +ATOM 305 OD1 ASN A 41 1.111 7.568 67.121 1.00 26.95 O +ATOM 306 ND2 ASN A 41 -1.050 7.012 66.910 1.00 17.81 N +ATOM 307 N LEU A 42 3.116 8.451 69.623 1.00 18.19 N +ATOM 308 CA LEU A 42 3.641 9.808 69.787 1.00 17.38 C +ATOM 309 C LEU A 42 2.838 10.883 69.049 1.00 20.25 C +ATOM 310 O LEU A 42 2.735 12.010 69.529 1.00 21.70 O +ATOM 311 CB LEU A 42 5.112 9.871 69.369 1.00 16.26 C +ATOM 312 CG LEU A 42 5.781 11.226 69.599 1.00 14.12 C +ATOM 313 CD1 LEU A 42 5.786 11.546 71.079 1.00 12.23 C +ATOM 314 CD2 LEU A 42 7.194 11.207 69.053 1.00 14.45 C +ATOM 315 N ALA A 43 2.242 10.521 67.913 1.00 22.07 N +ATOM 316 CA ALA A 43 1.434 11.454 67.116 1.00 27.29 C +ATOM 317 C ALA A 43 0.237 12.046 67.858 1.00 28.13 C +ATOM 318 O ALA A 43 -0.225 13.135 67.518 1.00 32.45 O +ATOM 319 CB ALA A 43 0.954 10.785 65.835 1.00 28.91 C +ATOM 320 N ASP A 44 -0.286 11.323 68.846 1.00 27.01 N +ATOM 321 CA ASP A 44 -1.428 11.800 69.614 1.00 25.64 C +ATOM 322 C ASP A 44 -1.129 12.991 70.494 1.00 26.71 C +ATOM 323 O ASP A 44 -1.956 13.894 70.617 1.00 28.93 O +ATOM 324 CB ASP A 44 -1.992 10.692 70.494 1.00 27.64 C +ATOM 325 CG ASP A 44 -2.858 9.729 69.731 1.00 29.54 C +ATOM 326 OD1 ASP A 44 -3.385 10.105 68.661 1.00 32.40 O +ATOM 327 OD2 ASP A 44 -3.019 8.594 70.219 1.00 30.96 O +ATOM 328 N VAL A 45 0.042 12.983 71.122 1.00 26.47 N +ATOM 329 CA VAL A 45 0.423 14.060 72.024 1.00 25.97 C +ATOM 330 C VAL A 45 1.358 15.085 71.399 1.00 26.91 C +ATOM 331 O VAL A 45 1.420 16.236 71.835 1.00 29.25 O +ATOM 332 CB VAL A 45 1.053 13.490 73.311 1.00 27.92 C +ATOM 333 CG1 VAL A 45 0.037 12.625 74.044 1.00 29.41 C +ATOM 334 CG2 VAL A 45 2.266 12.662 72.979 1.00 25.46 C +ATOM 335 N ALA A 46 2.038 14.688 70.331 1.00 25.06 N +ATOM 336 CA ALA A 46 2.975 15.583 69.668 1.00 22.60 C +ATOM 337 C ALA A 46 3.064 15.316 68.165 1.00 22.71 C +ATOM 338 O ALA A 46 4.030 14.727 67.684 1.00 22.98 O +ATOM 339 CB ALA A 46 4.340 15.446 70.313 1.00 19.37 C +ATOM 340 N PRO A 47 2.058 15.775 67.404 1.00 23.39 N +ATOM 341 CA PRO A 47 1.990 15.601 65.947 1.00 21.98 C +ATOM 342 C PRO A 47 3.216 16.177 65.251 1.00 23.35 C +ATOM 343 O PRO A 47 3.719 17.227 65.641 1.00 23.73 O +ATOM 344 CB PRO A 47 0.747 16.407 65.568 1.00 24.85 C +ATOM 345 CG PRO A 47 -0.090 16.357 66.790 1.00 25.64 C +ATOM 346 CD PRO A 47 0.909 16.548 67.896 1.00 22.19 C +ATOM 347 N GLY A 48 3.697 15.467 64.233 1.00 22.99 N +ATOM 348 CA GLY A 48 4.846 15.908 63.463 1.00 21.29 C +ATOM 349 C GLY A 48 6.205 15.762 64.115 1.00 22.92 C +ATOM 350 O GLY A 48 7.222 16.087 63.507 1.00 26.15 O +ATOM 351 N LYS A 49 6.239 15.243 65.336 1.00 21.97 N +ATOM 352 CA LYS A 49 7.497 15.082 66.051 1.00 20.26 C +ATOM 353 C LYS A 49 8.029 13.657 66.035 1.00 18.82 C +ATOM 354 O LYS A 49 7.302 12.706 65.765 1.00 17.62 O +ATOM 355 CB LYS A 49 7.334 15.540 67.503 1.00 24.06 C +ATOM 356 CG LYS A 49 6.770 16.939 67.644 1.00 29.35 C +ATOM 357 CD LYS A 49 7.858 18.002 67.572 1.00 35.29 C +ATOM 358 CE LYS A 49 7.262 19.389 67.688 1.00 39.31 C +ATOM 359 NZ LYS A 49 6.263 19.453 68.808 1.00 48.00 N +ATOM 360 N SER A 50 9.308 13.527 66.370 1.00 15.35 N +ATOM 361 CA SER A 50 9.979 12.242 66.431 1.00 15.22 C +ATOM 362 C SER A 50 10.856 12.234 67.679 1.00 13.82 C +ATOM 363 O SER A 50 11.257 13.282 68.156 1.00 14.37 O +ATOM 364 CB SER A 50 10.874 12.044 65.196 1.00 11.76 C +ATOM 365 OG SER A 50 10.103 11.908 64.017 1.00 15.64 O +ATOM 366 N ILE A 51 11.137 11.044 68.202 1.00 14.45 N +ATOM 367 CA ILE A 51 12.000 10.878 69.364 1.00 15.32 C +ATOM 368 C ILE A 51 13.463 10.976 68.895 1.00 16.63 C +ATOM 369 O ILE A 51 13.845 10.351 67.900 1.00 16.74 O +ATOM 370 CB ILE A 51 11.786 9.488 70.026 1.00 15.27 C +ATOM 371 CG1 ILE A 51 10.370 9.365 70.599 1.00 20.33 C +ATOM 372 CG2 ILE A 51 12.807 9.266 71.126 1.00 19.80 C +ATOM 373 CD1 ILE A 51 10.074 10.291 71.765 1.00 19.09 C +ATOM 374 N GLY A 52 14.279 11.754 69.600 1.00 14.46 N +ATOM 375 CA GLY A 52 15.672 11.875 69.219 1.00 12.80 C +ATOM 376 C GLY A 52 16.470 12.752 70.161 1.00 19.00 C +ATOM 377 O GLY A 52 15.903 13.630 70.825 1.00 18.16 O +ATOM 378 N GLY A 53 17.773 12.482 70.271 1.00 18.90 N +ATOM 379 CA GLY A 53 18.633 13.276 71.135 1.00 21.26 C +ATOM 380 C GLY A 53 19.149 12.579 72.381 1.00 22.70 C +ATOM 381 O GLY A 53 19.969 13.126 73.125 1.00 26.57 O +ATOM 382 N ASP A 54 18.662 11.374 72.622 1.00 21.46 N +ATOM 383 CA ASP A 54 19.080 10.618 73.787 1.00 24.07 C +ATOM 384 C ASP A 54 20.423 9.926 73.617 1.00 26.75 C +ATOM 385 O ASP A 54 20.877 9.684 72.497 1.00 27.90 O +ATOM 386 CB ASP A 54 17.996 9.612 74.156 1.00 21.57 C +ATOM 387 CG ASP A 54 16.772 10.287 74.720 1.00 20.23 C +ATOM 388 OD1 ASP A 54 16.887 10.828 75.826 1.00 23.71 O +ATOM 389 OD2 ASP A 54 15.710 10.309 74.073 1.00 21.24 O +ATOM 390 N ILE A 55 21.056 9.617 74.747 1.00 27.92 N +ATOM 391 CA ILE A 55 22.349 8.945 74.784 1.00 26.76 C +ATOM 392 C ILE A 55 22.251 7.470 74.413 1.00 28.16 C +ATOM 393 O ILE A 55 21.352 6.757 74.866 1.00 28.35 O +ATOM 394 CB ILE A 55 22.996 9.040 76.199 1.00 26.46 C +ATOM 395 CG1 ILE A 55 23.452 10.465 76.465 1.00 28.34 C +ATOM 396 CG2 ILE A 55 24.207 8.123 76.309 1.00 26.19 C +ATOM 397 CD1 ILE A 55 24.576 10.892 75.560 1.00 34.62 C +ATOM 398 N PHE A 56 23.160 7.044 73.540 1.00 28.93 N +ATOM 399 CA PHE A 56 23.268 5.656 73.131 1.00 30.21 C +ATOM 400 C PHE A 56 24.530 5.188 73.850 1.00 32.05 C +ATOM 401 O PHE A 56 25.620 5.716 73.624 1.00 32.82 O +ATOM 402 CB PHE A 56 23.452 5.535 71.620 1.00 30.52 C +ATOM 403 CG PHE A 56 23.639 4.123 71.159 1.00 32.69 C +ATOM 404 CD1 PHE A 56 22.598 3.202 71.267 1.00 31.24 C +ATOM 405 CD2 PHE A 56 24.860 3.701 70.643 1.00 32.32 C +ATOM 406 CE1 PHE A 56 22.770 1.882 70.869 1.00 32.03 C +ATOM 407 CE2 PHE A 56 25.041 2.379 70.242 1.00 35.04 C +ATOM 408 CZ PHE A 56 23.991 1.469 70.356 1.00 32.95 C +ATOM 409 N SER A 57 24.385 4.189 74.709 1.00 37.14 N +ATOM 410 CA SER A 57 25.512 3.695 75.500 1.00 41.13 C +ATOM 411 C SER A 57 26.675 3.074 74.741 1.00 40.48 C +ATOM 412 O SER A 57 27.831 3.261 75.122 1.00 39.13 O +ATOM 413 CB SER A 57 25.014 2.738 76.583 1.00 43.23 C +ATOM 414 OG SER A 57 24.184 3.425 77.501 1.00 46.33 O +ATOM 415 N ASN A 58 26.372 2.330 73.682 1.00 41.34 N +ATOM 416 CA ASN A 58 27.409 1.680 72.875 1.00 46.47 C +ATOM 417 C ASN A 58 28.165 0.651 73.734 1.00 51.34 C +ATOM 418 O ASN A 58 29.388 0.513 73.633 1.00 52.29 O +ATOM 419 CB ASN A 58 28.373 2.736 72.288 1.00 38.69 C +ATOM 420 CG ASN A 58 29.294 2.174 71.214 1.00 34.80 C +ATOM 421 OD1 ASN A 58 28.911 1.305 70.439 1.00 31.76 O +ATOM 422 ND2 ASN A 58 30.516 2.681 71.165 1.00 30.76 N +ATOM 423 N ARG A 59 27.415 -0.071 74.571 1.00 57.46 N +ATOM 424 CA ARG A 59 27.970 -1.101 75.458 1.00 61.44 C +ATOM 425 C ARG A 59 28.577 -2.244 74.630 1.00 60.43 C +ATOM 426 O ARG A 59 29.570 -2.857 75.034 1.00 60.31 O +ATOM 427 CB ARG A 59 26.877 -1.644 76.398 1.00 67.13 C +ATOM 428 CG ARG A 59 26.227 -0.590 77.315 1.00 75.27 C +ATOM 429 CD ARG A 59 27.058 -0.263 78.568 1.00 81.21 C +ATOM 430 NE ARG A 59 26.757 -1.169 79.681 1.00 86.30 N +ATOM 431 CZ ARG A 59 27.659 -1.902 80.335 1.00 88.81 C +ATOM 432 NH1 ARG A 59 28.947 -1.845 79.997 1.00 88.46 N +ATOM 433 NH2 ARG A 59 27.270 -2.708 81.321 1.00 87.87 N +ATOM 434 N GLU A 60 27.984 -2.505 73.465 1.00 59.42 N +ATOM 435 CA GLU A 60 28.445 -3.551 72.551 1.00 57.98 C +ATOM 436 C GLU A 60 29.774 -3.170 71.883 1.00 53.52 C +ATOM 437 O GLU A 60 30.585 -4.034 71.571 1.00 52.56 O +ATOM 438 CB GLU A 60 27.385 -3.845 71.480 1.00 63.91 C +ATOM 439 CG GLU A 60 26.080 -4.462 72.003 1.00 72.51 C +ATOM 440 CD GLU A 60 25.013 -3.428 72.389 1.00 78.78 C +ATOM 441 OE1 GLU A 60 25.357 -2.272 72.738 1.00 81.20 O +ATOM 442 OE2 GLU A 60 23.813 -3.784 72.335 1.00 82.72 O +ATOM 443 N GLY A 61 29.983 -1.876 71.654 1.00 49.27 N +ATOM 444 CA GLY A 61 31.221 -1.415 71.051 1.00 44.88 C +ATOM 445 C GLY A 61 31.324 -1.548 69.542 1.00 44.24 C +ATOM 446 O GLY A 61 32.425 -1.643 68.999 1.00 41.92 O +ATOM 447 N LYS A 62 30.188 -1.545 68.851 1.00 42.10 N +ATOM 448 CA LYS A 62 30.215 -1.661 67.398 1.00 40.57 C +ATOM 449 C LYS A 62 30.517 -0.312 66.767 1.00 37.29 C +ATOM 450 O LYS A 62 30.833 -0.238 65.583 1.00 38.67 O +ATOM 451 CB LYS A 62 28.898 -2.221 66.875 1.00 43.92 C +ATOM 452 CG LYS A 62 28.447 -3.439 67.638 1.00 47.82 C +ATOM 453 CD LYS A 62 27.310 -4.138 66.946 1.00 52.62 C +ATOM 454 CE LYS A 62 26.788 -5.261 67.827 1.00 57.29 C +ATOM 455 NZ LYS A 62 25.797 -6.113 67.120 1.00 60.91 N +ATOM 456 N LEU A 63 30.388 0.751 67.559 1.00 33.56 N +ATOM 457 CA LEU A 63 30.674 2.106 67.100 1.00 32.54 C +ATOM 458 C LEU A 63 32.042 2.476 67.637 1.00 31.07 C +ATOM 459 O LEU A 63 32.388 2.113 68.750 1.00 33.35 O +ATOM 460 CB LEU A 63 29.628 3.098 67.620 1.00 29.40 C +ATOM 461 CG LEU A 63 28.219 3.010 67.040 1.00 27.53 C +ATOM 462 CD1 LEU A 63 27.339 4.076 67.649 1.00 29.19 C +ATOM 463 CD2 LEU A 63 28.284 3.192 65.545 1.00 27.91 C +ATOM 464 N PRO A 64 32.841 3.202 66.850 1.00 31.30 N +ATOM 465 CA PRO A 64 34.173 3.578 67.335 1.00 31.68 C +ATOM 466 C PRO A 64 34.160 4.434 68.601 1.00 31.97 C +ATOM 467 O PRO A 64 33.504 5.472 68.654 1.00 32.14 O +ATOM 468 CB PRO A 64 34.781 4.312 66.134 1.00 31.81 C +ATOM 469 CG PRO A 64 33.576 4.804 65.365 1.00 31.92 C +ATOM 470 CD PRO A 64 32.625 3.653 65.466 1.00 29.65 C +ATOM 471 N GLY A 65 34.855 3.953 69.632 1.00 32.91 N +ATOM 472 CA GLY A 65 34.935 4.670 70.891 1.00 32.48 C +ATOM 473 C GLY A 65 36.180 5.536 70.991 1.00 32.51 C +ATOM 474 O GLY A 65 37.150 5.348 70.259 1.00 33.06 O +ATOM 475 N LYS A 66 36.138 6.494 71.906 1.00 33.22 N +ATOM 476 CA LYS A 66 37.234 7.424 72.150 1.00 35.72 C +ATOM 477 C LYS A 66 36.946 8.156 73.460 1.00 39.42 C +ATOM 478 O LYS A 66 35.793 8.242 73.894 1.00 40.65 O +ATOM 479 CB LYS A 66 37.346 8.449 71.019 1.00 34.62 C +ATOM 480 CG LYS A 66 38.416 9.478 71.266 1.00 37.39 C +ATOM 481 CD LYS A 66 38.357 10.663 70.334 1.00 39.08 C +ATOM 482 CE LYS A 66 39.340 11.712 70.846 1.00 44.99 C +ATOM 483 NZ LYS A 66 39.824 12.643 69.800 1.00 48.42 N +ATOM 484 N SER A 67 37.997 8.673 74.092 1.00 42.56 N +ATOM 485 CA SER A 67 37.856 9.404 75.345 1.00 44.90 C +ATOM 486 C SER A 67 37.172 10.748 75.144 1.00 44.58 C +ATOM 487 O SER A 67 37.652 11.605 74.379 1.00 43.47 O +ATOM 488 CB SER A 67 39.220 9.611 76.013 1.00 48.92 C +ATOM 489 OG SER A 67 39.713 8.383 76.515 1.00 54.02 O +ATOM 490 N GLY A 68 36.054 10.924 75.849 1.00 42.38 N +ATOM 491 CA GLY A 68 35.303 12.160 75.757 1.00 39.71 C +ATOM 492 C GLY A 68 34.226 12.137 74.688 1.00 38.05 C +ATOM 493 O GLY A 68 33.449 13.091 74.577 1.00 42.14 O +ATOM 494 N ARG A 69 34.175 11.067 73.896 1.00 32.80 N +ATOM 495 CA ARG A 69 33.170 10.965 72.844 1.00 29.67 C +ATOM 496 C ARG A 69 31.922 10.265 73.338 1.00 27.82 C +ATOM 497 O ARG A 69 31.991 9.140 73.832 1.00 25.50 O +ATOM 498 CB ARG A 69 33.711 10.205 71.629 1.00 27.22 C +ATOM 499 CG ARG A 69 32.626 9.828 70.624 1.00 26.03 C +ATOM 500 CD ARG A 69 33.154 8.928 69.523 1.00 25.46 C +ATOM 501 NE ARG A 69 34.128 9.617 68.682 1.00 23.42 N +ATOM 502 CZ ARG A 69 35.009 9.004 67.901 1.00 23.19 C +ATOM 503 NH1 ARG A 69 35.043 7.681 67.855 1.00 20.99 N +ATOM 504 NH2 ARG A 69 35.843 9.717 67.154 1.00 21.65 N +ATOM 505 N THR A 70 30.783 10.934 73.210 1.00 25.77 N +ATOM 506 CA THR A 70 29.519 10.325 73.605 1.00 28.45 C +ATOM 507 C THR A 70 28.690 10.141 72.328 1.00 27.12 C +ATOM 508 O THR A 70 28.880 10.879 71.360 1.00 28.43 O +ATOM 509 CB THR A 70 28.751 11.194 74.626 1.00 28.00 C +ATOM 510 OG1 THR A 70 28.269 12.378 73.991 1.00 32.39 O +ATOM 511 CG2 THR A 70 29.669 11.593 75.780 1.00 30.47 C +ATOM 512 N TRP A 71 27.839 9.118 72.296 1.00 24.89 N +ATOM 513 CA TRP A 71 26.984 8.848 71.139 1.00 23.58 C +ATOM 514 C TRP A 71 25.509 9.133 71.445 1.00 23.40 C +ATOM 515 O TRP A 71 25.034 8.912 72.558 1.00 23.58 O +ATOM 516 CB TRP A 71 27.129 7.388 70.671 1.00 23.74 C +ATOM 517 CG TRP A 71 28.442 7.066 69.983 1.00 22.96 C +ATOM 518 CD1 TRP A 71 29.558 6.538 70.564 1.00 22.62 C +ATOM 519 CD2 TRP A 71 28.755 7.253 68.600 1.00 20.42 C +ATOM 520 NE1 TRP A 71 30.555 6.387 69.627 1.00 19.55 N +ATOM 521 CE2 TRP A 71 30.098 6.814 68.416 1.00 20.84 C +ATOM 522 CE3 TRP A 71 28.051 7.750 67.490 1.00 18.55 C +ATOM 523 CZ2 TRP A 71 30.731 6.864 67.172 1.00 17.59 C +ATOM 524 CZ3 TRP A 71 28.681 7.800 66.260 1.00 16.71 C +ATOM 525 CH2 TRP A 71 30.014 7.358 66.111 1.00 18.19 C +ATOM 526 N ARG A 72 24.802 9.673 70.460 1.00 21.84 N +ATOM 527 CA ARG A 72 23.385 9.967 70.607 1.00 20.38 C +ATOM 528 C ARG A 72 22.639 9.379 69.429 1.00 21.08 C +ATOM 529 O ARG A 72 23.246 9.043 68.409 1.00 20.29 O +ATOM 530 CB ARG A 72 23.135 11.470 70.710 1.00 17.32 C +ATOM 531 CG ARG A 72 23.633 12.055 72.002 1.00 18.61 C +ATOM 532 CD ARG A 72 23.299 13.506 72.085 1.00 24.75 C +ATOM 533 NE ARG A 72 24.016 14.146 73.183 1.00 32.35 N +ATOM 534 CZ ARG A 72 23.596 14.177 74.445 1.00 37.38 C +ATOM 535 NH1 ARG A 72 22.442 13.596 74.786 1.00 34.79 N +ATOM 536 NH2 ARG A 72 24.325 14.808 75.364 1.00 37.37 N +ATOM 537 N GLU A 73 21.328 9.242 69.575 1.00 19.56 N +ATOM 538 CA GLU A 73 20.512 8.682 68.522 1.00 20.94 C +ATOM 539 C GLU A 73 19.241 9.463 68.239 1.00 21.83 C +ATOM 540 O GLU A 73 18.827 10.333 69.017 1.00 20.91 O +ATOM 541 CB GLU A 73 20.185 7.221 68.835 1.00 27.88 C +ATOM 542 CG GLU A 73 20.066 6.897 70.330 1.00 37.13 C +ATOM 543 CD GLU A 73 18.643 6.642 70.787 1.00 43.20 C +ATOM 544 OE1 GLU A 73 17.721 7.299 70.268 1.00 46.19 O +ATOM 545 OE2 GLU A 73 18.449 5.781 71.673 1.00 46.70 O +ATOM 546 N ALA A 74 18.648 9.167 67.089 1.00 19.21 N +ATOM 547 CA ALA A 74 17.416 9.808 66.675 1.00 18.10 C +ATOM 548 C ALA A 74 16.664 8.881 65.718 1.00 19.91 C +ATOM 549 O ALA A 74 17.279 8.192 64.893 1.00 20.84 O +ATOM 550 CB ALA A 74 17.718 11.148 66.007 1.00 12.66 C +ATOM 551 N ASP A 75 15.343 8.815 65.893 1.00 18.79 N +ATOM 552 CA ASP A 75 14.452 8.007 65.052 1.00 16.73 C +ATOM 553 C ASP A 75 14.384 8.558 63.636 1.00 17.29 C +ATOM 554 O ASP A 75 14.332 9.768 63.449 1.00 16.13 O +ATOM 555 CB ASP A 75 13.029 8.043 65.617 1.00 14.37 C +ATOM 556 CG ASP A 75 12.854 7.173 66.836 1.00 16.74 C +ATOM 557 OD1 ASP A 75 13.870 6.810 67.462 1.00 19.68 O +ATOM 558 OD2 ASP A 75 11.692 6.849 67.165 1.00 18.12 O +ATOM 559 N ILE A 76 14.352 7.675 62.641 1.00 18.06 N +ATOM 560 CA ILE A 76 14.272 8.097 61.247 1.00 17.39 C +ATOM 561 C ILE A 76 13.038 7.471 60.607 1.00 17.05 C +ATOM 562 O ILE A 76 12.636 6.382 60.991 1.00 19.00 O +ATOM 563 CB ILE A 76 15.550 7.665 60.456 1.00 19.70 C +ATOM 564 CG1 ILE A 76 16.806 8.309 61.064 1.00 13.43 C +ATOM 565 CG2 ILE A 76 15.432 8.042 58.969 1.00 11.43 C +ATOM 566 CD1 ILE A 76 16.852 9.835 60.920 1.00 13.91 C +ATOM 567 N ASN A 77 12.433 8.173 59.653 1.00 16.95 N +ATOM 568 CA ASN A 77 11.245 7.702 58.929 1.00 20.78 C +ATOM 569 C ASN A 77 9.966 7.501 59.756 1.00 22.79 C +ATOM 570 O ASN A 77 9.043 6.807 59.311 1.00 22.44 O +ATOM 571 CB ASN A 77 11.546 6.408 58.156 1.00 21.78 C +ATOM 572 CG ASN A 77 12.672 6.564 57.152 1.00 21.04 C +ATOM 573 OD1 ASN A 77 12.783 7.596 56.488 1.00 21.81 O +ATOM 574 ND2 ASN A 77 13.508 5.544 57.035 1.00 19.54 N +ATOM 575 N TYR A 78 9.910 8.100 60.947 1.00 23.83 N +ATOM 576 CA TYR A 78 8.730 7.994 61.812 1.00 22.38 C +ATOM 577 C TYR A 78 7.643 9.000 61.419 1.00 23.32 C +ATOM 578 O TYR A 78 7.943 10.178 61.197 1.00 23.20 O +ATOM 579 CB TYR A 78 9.106 8.230 63.277 1.00 20.48 C +ATOM 580 CG TYR A 78 7.921 8.097 64.203 1.00 20.88 C +ATOM 581 CD1 TYR A 78 7.406 6.839 64.528 1.00 20.47 C +ATOM 582 CD2 TYR A 78 7.265 9.229 64.698 1.00 21.53 C +ATOM 583 CE1 TYR A 78 6.282 6.711 65.331 1.00 21.87 C +ATOM 584 CE2 TYR A 78 6.134 9.114 65.500 1.00 20.32 C +ATOM 585 CZ TYR A 78 5.645 7.851 65.805 1.00 20.25 C +ATOM 586 OH TYR A 78 4.526 7.720 66.587 1.00 18.59 O +ATOM 587 N THR A 79 6.397 8.523 61.321 1.00 20.13 N +ATOM 588 CA THR A 79 5.238 9.358 60.991 1.00 19.52 C +ATOM 589 C THR A 79 4.237 9.245 62.159 1.00 20.60 C +ATOM 590 O THR A 79 3.920 10.247 62.802 1.00 20.35 O +ATOM 591 CB THR A 79 4.569 8.865 59.719 1.00 15.92 C +ATOM 592 OG1 THR A 79 5.097 9.535 58.586 1.00 25.74 O +ATOM 593 CG2 THR A 79 3.058 9.095 59.726 1.00 35.23 C +ATOM 594 N SER A 80 3.790 8.029 62.476 1.00 17.94 N +ATOM 595 CA SER A 80 2.861 7.812 63.597 1.00 20.85 C +ATOM 596 C SER A 80 2.804 6.332 63.947 1.00 21.08 C +ATOM 597 O SER A 80 3.302 5.505 63.190 1.00 24.54 O +ATOM 598 CB SER A 80 1.453 8.312 63.265 1.00 20.91 C +ATOM 599 OG SER A 80 0.891 7.549 62.226 1.00 27.66 O +ATOM 600 N GLY A 81 2.208 6.002 65.091 1.00 18.76 N +ATOM 601 CA GLY A 81 2.121 4.612 65.507 1.00 15.13 C +ATOM 602 C GLY A 81 3.336 4.159 66.278 1.00 16.83 C +ATOM 603 O GLY A 81 3.964 4.952 66.996 1.00 18.49 O +ATOM 604 N PHE A 82 3.658 2.876 66.180 1.00 16.00 N +ATOM 605 CA PHE A 82 4.815 2.299 66.849 1.00 16.53 C +ATOM 606 C PHE A 82 6.121 2.848 66.266 1.00 18.73 C +ATOM 607 O PHE A 82 6.184 3.217 65.092 1.00 18.46 O +ATOM 608 CB PHE A 82 4.826 0.782 66.674 1.00 17.96 C +ATOM 609 CG PHE A 82 3.733 0.073 67.422 1.00 16.46 C +ATOM 610 CD1 PHE A 82 3.724 0.049 68.808 1.00 17.12 C +ATOM 611 CD2 PHE A 82 2.770 -0.650 66.744 1.00 17.86 C +ATOM 612 CE1 PHE A 82 2.765 -0.689 69.498 1.00 18.15 C +ATOM 613 CE2 PHE A 82 1.812 -1.391 67.430 1.00 14.38 C +ATOM 614 CZ PHE A 82 1.815 -1.411 68.801 1.00 12.59 C +ATOM 615 N ARG A 83 7.157 2.951 67.100 1.00 17.36 N +ATOM 616 CA ARG A 83 8.460 3.392 66.617 1.00 17.84 C +ATOM 617 C ARG A 83 9.055 2.231 65.817 1.00 18.88 C +ATOM 618 O ARG A 83 8.762 1.061 66.102 1.00 17.71 O +ATOM 619 CB ARG A 83 9.379 3.768 67.779 1.00 14.49 C +ATOM 620 CG ARG A 83 8.925 5.027 68.510 1.00 17.15 C +ATOM 621 CD ARG A 83 9.766 5.277 69.747 1.00 16.46 C +ATOM 622 NE ARG A 83 11.166 5.576 69.438 1.00 18.24 N +ATOM 623 CZ ARG A 83 12.196 5.250 70.218 1.00 21.04 C +ATOM 624 NH1 ARG A 83 11.984 4.604 71.359 1.00 18.10 N +ATOM 625 NH2 ARG A 83 13.435 5.573 69.859 1.00 14.89 N +ATOM 626 N ASN A 84 9.847 2.550 64.793 1.00 21.13 N +ATOM 627 CA ASN A 84 10.488 1.544 63.941 1.00 20.75 C +ATOM 628 C ASN A 84 11.916 1.199 64.412 1.00 21.62 C +ATOM 629 O ASN A 84 12.287 1.495 65.557 1.00 18.63 O +ATOM 630 CB ASN A 84 10.476 2.010 62.473 1.00 20.89 C +ATOM 631 CG ASN A 84 11.127 3.382 62.276 1.00 19.42 C +ATOM 632 OD1 ASN A 84 12.092 3.724 62.952 1.00 20.91 O +ATOM 633 ND2 ASN A 84 10.600 4.168 61.331 1.00 20.91 N +ATOM 634 N SER A 85 12.698 0.579 63.522 1.00 23.35 N +ATOM 635 CA SER A 85 14.081 0.165 63.811 1.00 23.57 C +ATOM 636 C SER A 85 15.150 1.056 63.188 1.00 22.91 C +ATOM 637 O SER A 85 16.344 0.743 63.281 1.00 25.11 O +ATOM 638 CB SER A 85 14.326 -1.263 63.320 1.00 24.69 C +ATOM 639 OG SER A 85 13.390 -2.161 63.861 1.00 34.31 O +ATOM 640 N ASP A 86 14.722 2.128 62.524 1.00 19.93 N +ATOM 641 CA ASP A 86 15.633 3.064 61.874 1.00 20.46 C +ATOM 642 C ASP A 86 16.128 4.131 62.846 1.00 22.77 C +ATOM 643 O ASP A 86 15.331 4.868 63.443 1.00 22.56 O +ATOM 644 CB ASP A 86 14.945 3.757 60.696 1.00 18.58 C +ATOM 645 CG ASP A 86 14.517 2.794 59.612 1.00 22.73 C +ATOM 646 OD1 ASP A 86 15.146 1.721 59.481 1.00 26.46 O +ATOM 647 OD2 ASP A 86 13.552 3.112 58.884 1.00 23.04 O +ATOM 648 N ARG A 87 17.446 4.250 62.959 1.00 20.85 N +ATOM 649 CA ARG A 87 18.049 5.230 63.846 1.00 20.42 C +ATOM 650 C ARG A 87 19.308 5.808 63.216 1.00 21.35 C +ATOM 651 O ARG A 87 19.993 5.137 62.451 1.00 21.17 O +ATOM 652 CB ARG A 87 18.452 4.574 65.176 1.00 22.20 C +ATOM 653 CG ARG A 87 17.348 3.857 65.934 1.00 22.66 C +ATOM 654 CD ARG A 87 16.460 4.829 66.698 1.00 22.05 C +ATOM 655 NE ARG A 87 15.464 4.103 67.484 1.00 22.52 N +ATOM 656 CZ ARG A 87 14.350 3.575 66.983 1.00 22.36 C +ATOM 657 NH1 ARG A 87 14.074 3.703 65.690 1.00 18.09 N +ATOM 658 NH2 ARG A 87 13.534 2.883 67.770 1.00 19.94 N +ATOM 659 N ILE A 88 19.596 7.062 63.541 1.00 22.01 N +ATOM 660 CA ILE A 88 20.804 7.724 63.079 1.00 21.13 C +ATOM 661 C ILE A 88 21.611 7.951 64.360 1.00 21.20 C +ATOM 662 O ILE A 88 21.066 8.366 65.388 1.00 22.30 O +ATOM 663 CB ILE A 88 20.508 9.071 62.393 1.00 22.36 C +ATOM 664 CG1 ILE A 88 21.750 9.557 61.649 1.00 25.13 C +ATOM 665 CG2 ILE A 88 20.073 10.110 63.424 1.00 24.33 C +ATOM 666 CD1 ILE A 88 21.458 10.578 60.578 1.00 25.67 C +ATOM 667 N LEU A 89 22.884 7.582 64.318 1.00 19.66 N +ATOM 668 CA LEU A 89 23.772 7.725 65.457 1.00 19.32 C +ATOM 669 C LEU A 89 24.793 8.798 65.141 1.00 19.28 C +ATOM 670 O LEU A 89 25.389 8.785 64.067 1.00 20.85 O +ATOM 671 CB LEU A 89 24.501 6.404 65.729 1.00 18.46 C +ATOM 672 CG LEU A 89 23.738 5.189 66.273 1.00 22.71 C +ATOM 673 CD1 LEU A 89 23.319 5.466 67.695 1.00 24.47 C +ATOM 674 CD2 LEU A 89 22.535 4.823 65.406 1.00 18.60 C +ATOM 675 N TYR A 90 24.982 9.738 66.060 1.00 18.28 N +ATOM 676 CA TYR A 90 25.960 10.790 65.858 1.00 19.12 C +ATOM 677 C TYR A 90 26.762 10.985 67.140 1.00 20.54 C +ATOM 678 O TYR A 90 26.227 10.881 68.247 1.00 20.97 O +ATOM 679 CB TYR A 90 25.291 12.099 65.401 1.00 19.60 C +ATOM 680 CG TYR A 90 24.241 12.640 66.349 1.00 21.29 C +ATOM 681 CD1 TYR A 90 22.956 12.095 66.380 1.00 19.27 C +ATOM 682 CD2 TYR A 90 24.528 13.713 67.201 1.00 19.15 C +ATOM 683 CE1 TYR A 90 21.992 12.583 67.247 1.00 19.45 C +ATOM 684 CE2 TYR A 90 23.567 14.214 68.076 1.00 19.56 C +ATOM 685 CZ TYR A 90 22.298 13.648 68.083 1.00 22.06 C +ATOM 686 OH TYR A 90 21.335 14.116 68.953 1.00 24.65 O +ATOM 687 N SER A 91 28.058 11.217 66.985 1.00 21.73 N +ATOM 688 CA SER A 91 28.944 11.401 68.125 1.00 21.99 C +ATOM 689 C SER A 91 29.149 12.872 68.446 1.00 22.63 C +ATOM 690 O SER A 91 28.796 13.760 67.651 1.00 22.85 O +ATOM 691 CB SER A 91 30.299 10.748 67.851 1.00 21.02 C +ATOM 692 OG SER A 91 30.993 11.435 66.826 1.00 21.26 O +ATOM 693 N SER A 92 29.729 13.119 69.619 1.00 25.06 N +ATOM 694 CA SER A 92 30.012 14.473 70.078 1.00 26.19 C +ATOM 695 C SER A 92 30.976 15.168 69.120 1.00 26.66 C +ATOM 696 O SER A 92 30.935 16.390 68.980 1.00 27.65 O +ATOM 697 CB SER A 92 30.566 14.459 71.510 1.00 27.10 C +ATOM 698 OG SER A 92 31.532 13.434 71.692 1.00 31.05 O +ATOM 699 N ASP A 93 31.830 14.393 68.450 1.00 27.21 N +ATOM 700 CA ASP A 93 32.765 14.964 67.489 1.00 27.80 C +ATOM 701 C ASP A 93 32.286 14.843 66.050 1.00 28.98 C +ATOM 702 O ASP A 93 33.080 14.919 65.116 1.00 32.28 O +ATOM 703 CB ASP A 93 34.207 14.445 67.662 1.00 28.02 C +ATOM 704 CG ASP A 93 34.300 12.936 67.700 1.00 27.98 C +ATOM 705 OD1 ASP A 93 33.314 12.265 68.042 1.00 28.07 O +ATOM 706 OD2 ASP A 93 35.397 12.410 67.425 1.00 33.20 O +ATOM 707 N TRP A 94 30.990 14.588 65.886 1.00 28.24 N +ATOM 708 CA TRP A 94 30.338 14.550 64.573 1.00 26.53 C +ATOM 709 C TRP A 94 30.516 13.439 63.557 1.00 25.29 C +ATOM 710 O TRP A 94 30.467 13.693 62.352 1.00 23.52 O +ATOM 711 CB TRP A 94 30.503 15.917 63.905 1.00 28.92 C +ATOM 712 CG TRP A 94 30.037 16.964 64.830 1.00 30.35 C +ATOM 713 CD1 TRP A 94 30.805 17.876 65.494 1.00 29.55 C +ATOM 714 CD2 TRP A 94 28.723 17.042 65.393 1.00 30.81 C +ATOM 715 NE1 TRP A 94 30.063 18.495 66.468 1.00 30.66 N +ATOM 716 CE2 TRP A 94 28.780 18.007 66.432 1.00 30.02 C +ATOM 717 CE3 TRP A 94 27.509 16.391 65.142 1.00 30.23 C +ATOM 718 CZ2 TRP A 94 27.671 18.326 67.220 1.00 29.86 C +ATOM 719 CZ3 TRP A 94 26.410 16.701 65.915 1.00 32.13 C +ATOM 720 CH2 TRP A 94 26.499 17.666 66.949 1.00 32.90 C +ATOM 721 N LEU A 95 30.712 12.210 64.013 1.00 23.08 N +ATOM 722 CA LEU A 95 30.797 11.080 63.080 1.00 23.53 C +ATOM 723 C LEU A 95 29.329 10.673 62.961 1.00 23.25 C +ATOM 724 O LEU A 95 28.550 10.898 63.903 1.00 24.71 O +ATOM 725 CB LEU A 95 31.610 9.939 63.683 1.00 22.90 C +ATOM 726 CG LEU A 95 33.085 10.164 64.004 1.00 24.37 C +ATOM 727 CD1 LEU A 95 33.742 8.824 64.342 1.00 20.56 C +ATOM 728 CD2 LEU A 95 33.785 10.828 62.823 1.00 23.59 C +ATOM 729 N ILE A 96 28.906 10.162 61.808 1.00 21.65 N +ATOM 730 CA ILE A 96 27.510 9.762 61.601 1.00 20.06 C +ATOM 731 C ILE A 96 27.384 8.367 61.047 1.00 21.42 C +ATOM 732 O ILE A 96 27.956 8.052 59.995 1.00 23.43 O +ATOM 733 CB ILE A 96 26.818 10.673 60.607 1.00 21.27 C +ATOM 734 CG1 ILE A 96 27.177 12.093 60.866 1.00 20.30 C +ATOM 735 CG2 ILE A 96 25.306 10.439 60.651 1.00 19.31 C +ATOM 736 CD1 ILE A 96 26.672 12.648 62.222 1.00 25.84 C +ATOM 737 N TYR A 97 26.550 7.578 61.724 1.00 18.83 N +ATOM 738 CA TYR A 97 26.285 6.203 61.339 1.00 19.00 C +ATOM 739 C TYR A 97 24.776 6.011 61.262 1.00 21.69 C +ATOM 740 O TYR A 97 24.011 6.859 61.712 1.00 19.44 O +ATOM 741 CB TYR A 97 26.902 5.270 62.378 1.00 20.91 C +ATOM 742 CG TYR A 97 28.411 5.140 62.325 1.00 23.04 C +ATOM 743 CD1 TYR A 97 29.247 6.199 62.701 1.00 21.93 C +ATOM 744 CD2 TYR A 97 29.005 3.943 61.900 1.00 25.11 C +ATOM 745 CE1 TYR A 97 30.642 6.074 62.651 1.00 23.64 C +ATOM 746 CE2 TYR A 97 30.392 3.802 61.843 1.00 25.48 C +ATOM 747 CZ TYR A 97 31.203 4.863 62.219 1.00 28.36 C +ATOM 748 OH TYR A 97 32.567 4.683 62.161 1.00 27.83 O +ATOM 749 N LYS A 98 24.348 4.921 60.643 1.00 21.16 N +ATOM 750 CA LYS A 98 22.927 4.625 60.538 1.00 21.28 C +ATOM 751 C LYS A 98 22.747 3.158 60.871 1.00 22.52 C +ATOM 752 O LYS A 98 23.691 2.380 60.851 1.00 21.40 O +ATOM 753 CB LYS A 98 22.396 4.886 59.120 1.00 21.97 C +ATOM 754 CG LYS A 98 22.765 3.806 58.109 1.00 25.50 C +ATOM 755 CD LYS A 98 22.235 4.067 56.701 1.00 27.44 C +ATOM 756 CE LYS A 98 20.881 3.418 56.468 1.00 29.47 C +ATOM 757 NZ LYS A 98 20.473 3.467 55.039 1.00 31.21 N +ATOM 758 N THR A 99 21.539 2.812 61.269 1.00 23.92 N +ATOM 759 CA THR A 99 21.198 1.439 61.553 1.00 24.17 C +ATOM 760 C THR A 99 19.743 1.309 61.143 1.00 25.61 C +ATOM 761 O THR A 99 18.972 2.268 61.255 1.00 26.74 O +ATOM 762 CB THR A 99 21.368 1.074 63.025 1.00 25.17 C +ATOM 763 OG1 THR A 99 20.984 -0.293 63.207 1.00 27.38 O +ATOM 764 CG2 THR A 99 20.505 1.956 63.916 1.00 25.81 C +ATOM 765 N THR A 100 19.399 0.169 60.563 1.00 26.02 N +ATOM 766 CA THR A 100 18.036 -0.079 60.122 1.00 27.27 C +ATOM 767 C THR A 100 17.505 -1.333 60.780 1.00 28.11 C +ATOM 768 O THR A 100 16.388 -1.771 60.492 1.00 29.73 O +ATOM 769 CB THR A 100 17.962 -0.263 58.602 1.00 29.47 C +ATOM 770 OG1 THR A 100 18.851 -1.313 58.206 1.00 30.57 O +ATOM 771 CG2 THR A 100 18.363 1.014 57.888 1.00 29.99 C +ATOM 772 N ASP A 101 18.310 -1.911 61.663 1.00 28.85 N +ATOM 773 CA ASP A 101 17.920 -3.122 62.364 1.00 32.40 C +ATOM 774 C ASP A 101 17.996 -2.993 63.886 1.00 33.32 C +ATOM 775 O ASP A 101 18.384 -3.926 64.597 1.00 33.24 O +ATOM 776 CB ASP A 101 18.733 -4.320 61.859 1.00 32.61 C +ATOM 777 CG ASP A 101 20.237 -4.107 61.962 1.00 36.87 C +ATOM 778 OD1 ASP A 101 20.685 -3.232 62.741 1.00 36.73 O +ATOM 779 OD2 ASP A 101 20.979 -4.841 61.271 1.00 37.76 O +ATOM 780 N HIS A 102 17.658 -1.804 64.371 1.00 34.79 N +ATOM 781 CA HIS A 102 17.627 -1.538 65.797 1.00 38.18 C +ATOM 782 C HIS A 102 18.943 -1.847 66.513 1.00 38.18 C +ATOM 783 O HIS A 102 18.985 -2.641 67.461 1.00 39.66 O +ATOM 784 CB HIS A 102 16.471 -2.336 66.413 1.00 42.15 C +ATOM 785 CG HIS A 102 15.927 -1.729 67.677 1.00 48.21 C +ATOM 786 ND1 HIS A 102 14.707 -2.112 68.197 1.00 52.82 N +ATOM 787 CD2 HIS A 102 16.436 -0.806 68.504 1.00 51.20 C +ATOM 788 CE1 HIS A 102 14.499 -1.427 69.317 1.00 55.29 C +ATOM 789 NE2 HIS A 102 15.523 -0.632 69.526 1.00 52.36 N +ATOM 790 N TYR A 103 20.017 -1.219 66.042 1.00 37.53 N +ATOM 791 CA TYR A 103 21.360 -1.347 66.621 1.00 36.26 C +ATOM 792 C TYR A 103 22.132 -2.658 66.427 1.00 37.56 C +ATOM 793 O TYR A 103 23.140 -2.877 67.103 1.00 37.86 O +ATOM 794 CB TYR A 103 21.349 -0.965 68.111 1.00 34.60 C +ATOM 795 CG TYR A 103 20.599 0.320 68.422 1.00 33.88 C +ATOM 796 CD1 TYR A 103 21.009 1.543 67.889 1.00 31.66 C +ATOM 797 CD2 TYR A 103 19.458 0.305 69.228 1.00 30.79 C +ATOM 798 CE1 TYR A 103 20.305 2.721 68.154 1.00 32.63 C +ATOM 799 CE2 TYR A 103 18.751 1.473 69.498 1.00 31.32 C +ATOM 800 CZ TYR A 103 19.176 2.675 68.958 1.00 31.91 C +ATOM 801 OH TYR A 103 18.487 3.830 69.239 1.00 30.79 O +ATOM 802 N GLN A 104 21.685 -3.518 65.511 1.00 39.04 N +ATOM 803 CA GLN A 104 22.399 -4.769 65.254 1.00 40.24 C +ATOM 804 C GLN A 104 23.655 -4.507 64.415 1.00 37.90 C +ATOM 805 O GLN A 104 24.739 -4.985 64.736 1.00 38.17 O +ATOM 806 CB GLN A 104 21.498 -5.788 64.558 1.00 45.76 C +ATOM 807 CG GLN A 104 20.368 -6.314 65.420 1.00 54.13 C +ATOM 808 CD GLN A 104 20.870 -6.986 66.685 1.00 59.88 C +ATOM 809 OE1 GLN A 104 20.277 -6.839 67.761 1.00 62.21 O +ATOM 810 NE2 GLN A 104 21.975 -7.723 66.568 1.00 62.90 N +ATOM 811 N THR A 105 23.507 -3.732 63.349 1.00 35.21 N +ATOM 812 CA THR A 105 24.637 -3.400 62.495 1.00 34.23 C +ATOM 813 C THR A 105 24.611 -1.912 62.182 1.00 33.31 C +ATOM 814 O THR A 105 23.552 -1.283 62.226 1.00 32.02 O +ATOM 815 CB THR A 105 24.619 -4.202 61.174 1.00 37.03 C +ATOM 816 OG1 THR A 105 23.396 -3.952 60.473 1.00 37.10 O +ATOM 817 CG2 THR A 105 24.759 -5.705 61.452 1.00 38.44 C +ATOM 818 N PHE A 106 25.781 -1.357 61.878 1.00 30.61 N +ATOM 819 CA PHE A 106 25.907 0.062 61.565 1.00 31.01 C +ATOM 820 C PHE A 106 26.702 0.293 60.273 1.00 31.93 C +ATOM 821 O PHE A 106 27.582 -0.497 59.917 1.00 34.39 O +ATOM 822 CB PHE A 106 26.603 0.799 62.727 1.00 29.16 C +ATOM 823 CG PHE A 106 25.913 0.635 64.060 1.00 28.22 C +ATOM 824 CD1 PHE A 106 26.217 -0.443 64.889 1.00 25.69 C +ATOM 825 CD2 PHE A 106 24.945 1.548 64.484 1.00 25.05 C +ATOM 826 CE1 PHE A 106 25.569 -0.604 66.109 1.00 25.24 C +ATOM 827 CE2 PHE A 106 24.297 1.389 65.704 1.00 21.94 C +ATOM 828 CZ PHE A 106 24.606 0.315 66.512 1.00 23.33 C +ATOM 829 N THR A 107 26.394 1.392 59.591 1.00 28.99 N +ATOM 830 CA THR A 107 27.066 1.786 58.352 1.00 28.18 C +ATOM 831 C THR A 107 27.447 3.260 58.505 1.00 26.70 C +ATOM 832 O THR A 107 26.608 4.067 58.901 1.00 26.68 O +ATOM 833 CB THR A 107 26.105 1.657 57.145 1.00 28.81 C +ATOM 834 OG1 THR A 107 25.669 0.299 57.023 1.00 34.17 O +ATOM 835 CG2 THR A 107 26.787 2.096 55.855 1.00 29.69 C +ATOM 836 N LYS A 108 28.704 3.612 58.245 1.00 23.33 N +ATOM 837 CA LYS A 108 29.131 5.013 58.347 1.00 23.18 C +ATOM 838 C LYS A 108 28.588 5.713 57.095 1.00 23.60 C +ATOM 839 O LYS A 108 28.796 5.231 55.984 1.00 23.39 O +ATOM 840 CB LYS A 108 30.656 5.088 58.416 1.00 22.54 C +ATOM 841 CG LYS A 108 31.253 6.465 58.692 1.00 19.84 C +ATOM 842 CD LYS A 108 32.762 6.318 58.972 1.00 20.81 C +ATOM 843 CE LYS A 108 33.419 7.632 59.305 1.00 22.04 C +ATOM 844 NZ LYS A 108 33.542 8.489 58.110 1.00 28.71 N +ATOM 845 N ILE A 109 27.856 6.813 57.273 1.00 23.42 N +ATOM 846 CA ILE A 109 27.251 7.516 56.135 1.00 22.90 C +ATOM 847 C ILE A 109 27.737 8.919 55.794 1.00 22.95 C +ATOM 848 O ILE A 109 27.180 9.568 54.909 1.00 22.62 O +ATOM 849 CB ILE A 109 25.706 7.549 56.236 1.00 22.31 C +ATOM 850 CG1 ILE A 109 25.263 8.187 57.559 1.00 22.43 C +ATOM 851 CG2 ILE A 109 25.138 6.145 56.043 1.00 21.16 C +ATOM 852 CD1 ILE A 109 23.753 8.378 57.676 1.00 19.84 C +ATOM 853 N ARG A 110 28.731 9.407 56.530 1.00 23.83 N +ATOM 854 CA ARG A 110 29.318 10.725 56.273 1.00 25.42 C +ATOM 855 C ARG A 110 30.824 10.653 56.504 1.00 24.52 C +ATOM 856 O ARG A 110 31.288 9.702 57.175 1.00 24.90 O +ATOM 857 CB ARG A 110 28.702 11.823 57.162 1.00 22.58 C +ATOM 858 CG ARG A 110 27.319 12.294 56.731 1.00 22.40 C +ATOM 859 CD ARG A 110 27.337 12.837 55.315 1.00 23.92 C +ATOM 860 NE ARG A 110 26.012 13.250 54.851 1.00 26.24 N +ATOM 861 CZ ARG A 110 25.099 12.428 54.329 1.00 25.58 C +ATOM 862 NH1 ARG A 110 25.350 11.131 54.204 1.00 26.68 N +ATOM 863 NH2 ARG A 110 23.946 12.915 53.883 1.00 26.38 N +ATOM 864 OXT ARG A 110 31.526 11.555 56.021 1.00 24.93 O +TER 865 ARG A 110 +END diff --git a/bench/main_benchmark/structures/SFB_OL_BCLXL_1LXLA_1R2DA/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_BCLXL_1LXLA_1R2DA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4c973069a9fe724594b400c17d77ef13d8dfb3af --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_BCLXL_1LXLA_1R2DA/state_a.pdb @@ -0,0 +1,3386 @@ +ATOM 1 N MET A -3 -3.776 20.337 15.238 1.00 8.91 N +ATOM 2 CA MET A -3 -3.934 18.871 15.457 1.00 8.20 C +ATOM 3 C MET A -3 -4.864 18.294 14.388 1.00 7.43 C +ATOM 4 O MET A -3 -6.071 18.310 14.527 1.00 7.60 O +ATOM 5 CB MET A -3 -4.534 18.624 16.842 1.00 8.64 C +ATOM 6 CG MET A -3 -4.438 17.135 17.182 1.00 9.01 C +ATOM 7 SD MET A -3 -5.678 16.721 18.434 1.00 9.65 S +ATOM 8 CE MET A -3 -7.138 16.938 17.387 1.00 10.07 C +ATOM 9 H1 MET A -3 -4.711 20.767 15.084 1.00 9.19 H +ATOM 10 H2 MET A -3 -3.329 20.766 16.073 1.00 9.12 H +ATOM 11 H3 MET A -3 -3.177 20.501 14.404 1.00 9.15 H +ATOM 12 HA MET A -3 -2.969 18.391 15.391 1.00 8.21 H +ATOM 13 HB2 MET A -3 -3.989 19.198 17.578 1.00 9.10 H +ATOM 14 HB3 MET A -3 -5.570 18.926 16.845 1.00 8.49 H +ATOM 15 HG2 MET A -3 -4.616 16.551 16.292 1.00 9.12 H +ATOM 16 HG3 MET A -3 -3.453 16.916 17.566 1.00 9.05 H +ATOM 17 HE1 MET A -3 -6.830 17.148 16.375 1.00 10.29 H +ATOM 18 HE2 MET A -3 -7.727 16.031 17.400 1.00 10.16 H +ATOM 19 HE3 MET A -3 -7.729 17.763 17.760 1.00 10.24 H +ATOM 20 N SER A -2 -4.313 17.783 13.321 1.00 6.84 N +ATOM 21 CA SER A -2 -5.167 17.206 12.245 1.00 6.32 C +ATOM 22 C SER A -2 -4.432 16.041 11.580 1.00 5.68 C +ATOM 23 O SER A -2 -4.594 15.783 10.404 1.00 5.92 O +ATOM 24 CB SER A -2 -5.468 18.281 11.201 1.00 6.85 C +ATOM 25 OG SER A -2 -6.611 19.023 11.608 1.00 7.20 O +ATOM 26 H SER A -2 -3.338 17.779 13.227 1.00 6.95 H +ATOM 27 HA SER A -2 -6.093 16.850 12.673 1.00 6.39 H +ATOM 28 HB2 SER A -2 -4.626 18.947 11.114 1.00 7.18 H +ATOM 29 HB3 SER A -2 -5.653 17.810 10.244 1.00 6.97 H +ATOM 30 HG SER A -2 -7.366 18.431 11.603 1.00 7.44 H +ATOM 31 N MET A -1 -3.625 15.334 12.323 1.00 5.19 N +ATOM 32 CA MET A -1 -2.880 14.187 11.732 1.00 4.87 C +ATOM 33 C MET A -1 -3.731 12.919 11.837 1.00 4.15 C +ATOM 34 O MET A -1 -4.753 12.899 12.494 1.00 4.38 O +ATOM 35 CB MET A -1 -1.568 13.984 12.492 1.00 5.59 C +ATOM 36 CG MET A -1 -0.599 15.118 12.149 1.00 6.18 C +ATOM 37 SD MET A -1 0.575 15.340 13.509 1.00 7.13 S +ATOM 38 CE MET A -1 -0.558 16.166 14.654 1.00 8.02 C +ATOM 39 H MET A -1 -3.508 15.558 13.270 1.00 5.31 H +ATOM 40 HA MET A -1 -2.667 14.392 10.694 1.00 5.08 H +ATOM 41 HB2 MET A -1 -1.763 13.986 13.555 1.00 6.04 H +ATOM 42 HB3 MET A -1 -1.129 13.040 12.208 1.00 5.63 H +ATOM 43 HG2 MET A -1 -0.061 14.871 11.246 1.00 6.08 H +ATOM 44 HG3 MET A -1 -1.154 16.032 11.999 1.00 6.51 H +ATOM 45 HE1 MET A -1 -1.543 16.214 14.212 1.00 8.21 H +ATOM 46 HE2 MET A -1 -0.599 15.611 15.581 1.00 8.39 H +ATOM 47 HE3 MET A -1 -0.206 17.166 14.852 1.00 8.28 H +ATOM 48 N ALA A 0 -3.318 11.861 11.196 1.00 3.72 N +ATOM 49 CA ALA A 0 -4.105 10.597 11.261 1.00 3.44 C +ATOM 50 C ALA A 0 -3.398 9.513 10.444 1.00 2.86 C +ATOM 51 O ALA A 0 -3.155 8.422 10.920 1.00 3.34 O +ATOM 52 CB ALA A 0 -5.503 10.837 10.689 1.00 4.12 C +ATOM 53 H ALA A 0 -2.491 11.897 10.672 1.00 3.96 H +ATOM 54 HA ALA A 0 -4.187 10.276 12.289 1.00 3.68 H +ATOM 55 HB1 ALA A 0 -5.515 11.772 10.148 1.00 4.47 H +ATOM 56 HB2 ALA A 0 -5.761 10.030 10.019 1.00 4.49 H +ATOM 57 HB3 ALA A 0 -6.220 10.879 11.495 1.00 4.36 H +ATOM 58 N MET A 1 -3.067 9.804 9.215 1.00 2.27 N +ATOM 59 CA MET A 1 -2.377 8.789 8.370 1.00 1.92 C +ATOM 60 C MET A 1 -3.230 7.521 8.298 1.00 1.97 C +ATOM 61 O MET A 1 -2.828 6.464 8.743 1.00 2.60 O +ATOM 62 CB MET A 1 -1.016 8.454 8.984 1.00 1.87 C +ATOM 63 CG MET A 1 0.053 9.371 8.389 1.00 1.76 C +ATOM 64 SD MET A 1 1.261 9.799 9.667 1.00 1.92 S +ATOM 65 CE MET A 1 2.726 9.162 8.818 1.00 1.30 C +ATOM 66 H MET A 1 -3.272 10.689 8.849 1.00 2.47 H +ATOM 67 HA MET A 1 -2.236 9.185 7.375 1.00 2.13 H +ATOM 68 HB2 MET A 1 -1.060 8.597 10.054 1.00 2.12 H +ATOM 69 HB3 MET A 1 -0.767 7.426 8.768 1.00 2.28 H +ATOM 70 HG2 MET A 1 0.553 8.863 7.578 1.00 2.18 H +ATOM 71 HG3 MET A 1 -0.412 10.272 8.017 1.00 2.21 H +ATOM 72 HE1 MET A 1 2.463 8.270 8.268 1.00 1.56 H +ATOM 73 HE2 MET A 1 3.102 9.914 8.138 1.00 1.80 H +ATOM 74 HE3 MET A 1 3.488 8.923 9.543 1.00 1.58 H +ATOM 75 N SER A 2 -4.407 7.617 7.740 1.00 1.79 N +ATOM 76 CA SER A 2 -5.284 6.417 7.640 1.00 1.99 C +ATOM 77 C SER A 2 -4.976 5.667 6.342 1.00 1.58 C +ATOM 78 O SER A 2 -4.877 4.457 6.321 1.00 2.23 O +ATOM 79 CB SER A 2 -6.749 6.855 7.639 1.00 2.64 C +ATOM 80 OG SER A 2 -7.482 6.045 8.549 1.00 3.37 O +ATOM 81 H SER A 2 -4.713 8.478 7.387 1.00 1.92 H +ATOM 82 HA SER A 2 -5.103 5.767 8.483 1.00 2.32 H +ATOM 83 HB2 SER A 2 -6.819 7.885 7.947 1.00 2.96 H +ATOM 84 HB3 SER A 2 -7.154 6.752 6.641 1.00 2.78 H +ATOM 85 HG SER A 2 -8.289 6.512 8.777 1.00 3.79 H +ATOM 86 N GLN A 3 -4.825 6.378 5.258 1.00 1.07 N +ATOM 87 CA GLN A 3 -4.523 5.705 3.963 1.00 0.85 C +ATOM 88 C GLN A 3 -3.040 5.880 3.632 1.00 0.70 C +ATOM 89 O GLN A 3 -2.660 5.999 2.484 1.00 1.06 O +ATOM 90 CB GLN A 3 -5.371 6.332 2.853 1.00 1.18 C +ATOM 91 CG GLN A 3 -6.818 5.853 2.983 1.00 1.92 C +ATOM 92 CD GLN A 3 -7.765 7.048 2.855 1.00 2.31 C +ATOM 93 OE1 GLN A 3 -7.509 7.962 2.097 1.00 2.48 O +ATOM 94 NE2 GLN A 3 -8.856 7.079 3.570 1.00 3.03 N +ATOM 95 H GLN A 3 -4.909 7.353 5.296 1.00 1.46 H +ATOM 96 HA GLN A 3 -4.753 4.653 4.041 1.00 1.04 H +ATOM 97 HB2 GLN A 3 -5.337 7.409 2.939 1.00 1.44 H +ATOM 98 HB3 GLN A 3 -4.980 6.036 1.891 1.00 1.62 H +ATOM 99 HG2 GLN A 3 -7.031 5.138 2.201 1.00 2.41 H +ATOM 100 HG3 GLN A 3 -6.958 5.387 3.946 1.00 2.39 H +ATOM 101 HE21 GLN A 3 -9.062 6.342 4.182 1.00 3.38 H +ATOM 102 HE22 GLN A 3 -9.469 7.840 3.496 1.00 3.46 H +ATOM 103 N SER A 4 -2.198 5.898 4.629 1.00 0.67 N +ATOM 104 CA SER A 4 -0.741 6.066 4.369 1.00 0.58 C +ATOM 105 C SER A 4 -0.014 4.754 4.665 1.00 0.51 C +ATOM 106 O SER A 4 0.992 4.441 4.060 1.00 0.65 O +ATOM 107 CB SER A 4 -0.186 7.170 5.270 1.00 0.85 C +ATOM 108 OG SER A 4 -0.978 7.258 6.447 1.00 1.39 O +ATOM 109 H SER A 4 -2.525 5.801 5.548 1.00 1.04 H +ATOM 110 HA SER A 4 -0.589 6.335 3.335 1.00 0.57 H +ATOM 111 HB2 SER A 4 0.830 6.938 5.543 1.00 1.25 H +ATOM 112 HB3 SER A 4 -0.207 8.112 4.738 1.00 1.20 H +ATOM 113 HG SER A 4 -1.835 7.616 6.202 1.00 1.76 H +ATOM 114 N ASN A 5 -0.514 3.983 5.591 1.00 0.41 N +ATOM 115 CA ASN A 5 0.150 2.692 5.924 1.00 0.45 C +ATOM 116 C ASN A 5 -0.595 1.543 5.240 1.00 0.40 C +ATOM 117 O ASN A 5 0.005 0.646 4.680 1.00 0.38 O +ATOM 118 CB ASN A 5 0.125 2.484 7.440 1.00 0.55 C +ATOM 119 CG ASN A 5 0.115 3.843 8.141 1.00 1.25 C +ATOM 120 OD1 ASN A 5 -0.908 4.280 8.630 1.00 2.05 O +ATOM 121 ND2 ASN A 5 1.219 4.536 8.213 1.00 1.97 N +ATOM 122 H ASN A 5 -1.326 4.254 6.068 1.00 0.41 H +ATOM 123 HA ASN A 5 1.173 2.713 5.580 1.00 0.55 H +ATOM 124 HB2 ASN A 5 -0.762 1.930 7.712 1.00 1.12 H +ATOM 125 HB3 ASN A 5 1.002 1.932 7.742 1.00 0.97 H +ATOM 126 HD21 ASN A 5 2.044 4.184 7.819 1.00 2.28 H +ATOM 127 HD22 ASN A 5 1.222 5.407 8.660 1.00 2.62 H +ATOM 128 N ARG A 6 -1.899 1.564 5.281 1.00 0.40 N +ATOM 129 CA ARG A 6 -2.684 0.474 4.635 1.00 0.38 C +ATOM 130 C ARG A 6 -2.723 0.699 3.123 1.00 0.31 C +ATOM 131 O ARG A 6 -2.382 -0.171 2.347 1.00 0.32 O +ATOM 132 CB ARG A 6 -4.110 0.476 5.188 1.00 0.44 C +ATOM 133 CG ARG A 6 -4.657 -0.953 5.194 1.00 1.20 C +ATOM 134 CD ARG A 6 -5.230 -1.273 6.575 1.00 1.34 C +ATOM 135 NE ARG A 6 -6.450 -0.451 6.809 1.00 1.82 N +ATOM 136 CZ ARG A 6 -7.632 -1.000 6.733 1.00 2.23 C +ATOM 137 NH1 ARG A 6 -7.866 -1.923 5.840 1.00 2.77 N +ATOM 138 NH2 ARG A 6 -8.579 -0.627 7.549 1.00 2.80 N +ATOM 139 H ARG A 6 -2.362 2.298 5.737 1.00 0.44 H +ATOM 140 HA ARG A 6 -2.218 -0.477 4.845 1.00 0.39 H +ATOM 141 HB2 ARG A 6 -4.104 0.865 6.197 1.00 0.90 H +ATOM 142 HB3 ARG A 6 -4.737 1.097 4.567 1.00 0.80 H +ATOM 143 HG2 ARG A 6 -5.435 -1.043 4.450 1.00 1.90 H +ATOM 144 HG3 ARG A 6 -3.859 -1.644 4.968 1.00 1.89 H +ATOM 145 HD2 ARG A 6 -5.488 -2.321 6.624 1.00 1.70 H +ATOM 146 HD3 ARG A 6 -4.494 -1.048 7.332 1.00 1.82 H +ATOM 147 HE ARG A 6 -6.366 0.502 7.019 1.00 2.30 H +ATOM 148 HH11 ARG A 6 -7.141 -2.209 5.215 1.00 3.02 H +ATOM 149 HH12 ARG A 6 -8.772 -2.344 5.782 1.00 3.30 H +ATOM 150 HH21 ARG A 6 -8.399 0.080 8.233 1.00 3.04 H +ATOM 151 HH22 ARG A 6 -9.484 -1.047 7.491 1.00 3.35 H +ATOM 152 N GLU A 7 -3.137 1.861 2.697 1.00 0.31 N +ATOM 153 CA GLU A 7 -3.198 2.141 1.235 1.00 0.29 C +ATOM 154 C GLU A 7 -1.828 1.875 0.606 1.00 0.26 C +ATOM 155 O GLU A 7 -1.725 1.538 -0.557 1.00 0.29 O +ATOM 156 CB GLU A 7 -3.585 3.604 1.012 1.00 0.35 C +ATOM 157 CG GLU A 7 -4.258 3.752 -0.354 1.00 0.68 C +ATOM 158 CD GLU A 7 -4.170 5.209 -0.812 1.00 1.10 C +ATOM 159 OE1 GLU A 7 -3.154 5.570 -1.382 1.00 1.77 O +ATOM 160 OE2 GLU A 7 -5.121 5.939 -0.584 1.00 1.80 O +ATOM 161 H GLU A 7 -3.408 2.550 3.340 1.00 0.38 H +ATOM 162 HA GLU A 7 -3.936 1.500 0.776 1.00 0.29 H +ATOM 163 HB2 GLU A 7 -4.270 3.918 1.787 1.00 0.51 H +ATOM 164 HB3 GLU A 7 -2.699 4.220 1.043 1.00 0.62 H +ATOM 165 HG2 GLU A 7 -3.758 3.118 -1.072 1.00 1.36 H +ATOM 166 HG3 GLU A 7 -5.295 3.462 -0.278 1.00 1.19 H +ATOM 167 N LEU A 8 -0.775 2.024 1.363 1.00 0.29 N +ATOM 168 CA LEU A 8 0.584 1.779 0.804 1.00 0.32 C +ATOM 169 C LEU A 8 0.826 0.275 0.683 1.00 0.28 C +ATOM 170 O LEU A 8 1.211 -0.218 -0.356 1.00 0.29 O +ATOM 171 CB LEU A 8 1.637 2.380 1.738 1.00 0.44 C +ATOM 172 CG LEU A 8 2.321 3.568 1.058 1.00 0.35 C +ATOM 173 CD1 LEU A 8 3.381 4.143 1.997 1.00 0.70 C +ATOM 174 CD2 LEU A 8 2.991 3.105 -0.240 1.00 0.50 C +ATOM 175 H LEU A 8 -0.877 2.297 2.298 1.00 0.35 H +ATOM 176 HA LEU A 8 0.660 2.237 -0.170 1.00 0.35 H +ATOM 177 HB2 LEU A 8 1.159 2.713 2.647 1.00 0.79 H +ATOM 178 HB3 LEU A 8 2.376 1.630 1.975 1.00 0.74 H +ATOM 179 HG LEU A 8 1.585 4.328 0.836 1.00 0.50 H +ATOM 180 HD11 LEU A 8 3.063 4.015 3.021 1.00 1.32 H +ATOM 181 HD12 LEU A 8 4.317 3.627 1.843 1.00 1.10 H +ATOM 182 HD13 LEU A 8 3.512 5.194 1.790 1.00 1.28 H +ATOM 183 HD21 LEU A 8 3.446 2.137 -0.085 1.00 1.21 H +ATOM 184 HD22 LEU A 8 2.252 3.034 -1.024 1.00 1.06 H +ATOM 185 HD23 LEU A 8 3.750 3.817 -0.525 1.00 1.11 H +ATOM 186 N VAL A 9 0.606 -0.456 1.739 1.00 0.28 N +ATOM 187 CA VAL A 9 0.826 -1.929 1.687 1.00 0.28 C +ATOM 188 C VAL A 9 0.006 -2.541 0.546 1.00 0.27 C +ATOM 189 O VAL A 9 0.349 -3.578 0.016 1.00 0.46 O +ATOM 190 CB VAL A 9 0.390 -2.551 3.013 1.00 0.32 C +ATOM 191 CG1 VAL A 9 0.145 -4.047 2.818 1.00 0.34 C +ATOM 192 CG2 VAL A 9 1.492 -2.348 4.056 1.00 0.35 C +ATOM 193 H VAL A 9 0.297 -0.036 2.570 1.00 0.32 H +ATOM 194 HA VAL A 9 1.875 -2.131 1.525 1.00 0.30 H +ATOM 195 HB VAL A 9 -0.521 -2.078 3.351 1.00 0.39 H +ATOM 196 HG11 VAL A 9 0.799 -4.421 2.045 1.00 1.06 H +ATOM 197 HG12 VAL A 9 0.346 -4.567 3.741 1.00 1.11 H +ATOM 198 HG13 VAL A 9 -0.882 -4.208 2.529 1.00 1.04 H +ATOM 199 HG21 VAL A 9 1.785 -1.308 4.072 1.00 1.05 H +ATOM 200 HG22 VAL A 9 1.122 -2.632 5.030 1.00 1.02 H +ATOM 201 HG23 VAL A 9 2.345 -2.959 3.802 1.00 1.03 H +ATOM 202 N VAL A 10 -1.074 -1.916 0.163 1.00 0.29 N +ATOM 203 CA VAL A 10 -1.905 -2.479 -0.941 1.00 0.30 C +ATOM 204 C VAL A 10 -1.440 -1.916 -2.286 1.00 0.30 C +ATOM 205 O VAL A 10 -1.600 -2.540 -3.316 1.00 0.33 O +ATOM 206 CB VAL A 10 -3.372 -2.111 -0.716 1.00 0.32 C +ATOM 207 CG1 VAL A 10 -4.213 -2.632 -1.882 1.00 0.34 C +ATOM 208 CG2 VAL A 10 -3.862 -2.747 0.587 1.00 0.45 C +ATOM 209 H VAL A 10 -1.341 -1.081 0.601 1.00 0.45 H +ATOM 210 HA VAL A 10 -1.803 -3.553 -0.950 1.00 0.31 H +ATOM 211 HB VAL A 10 -3.469 -1.037 -0.653 1.00 0.38 H +ATOM 212 HG11 VAL A 10 -4.026 -3.687 -2.018 1.00 1.04 H +ATOM 213 HG12 VAL A 10 -5.260 -2.477 -1.669 1.00 1.09 H +ATOM 214 HG13 VAL A 10 -3.947 -2.100 -2.784 1.00 1.04 H +ATOM 215 HG21 VAL A 10 -3.073 -2.713 1.324 1.00 1.14 H +ATOM 216 HG22 VAL A 10 -4.720 -2.203 0.953 1.00 1.07 H +ATOM 217 HG23 VAL A 10 -4.139 -3.775 0.404 1.00 1.09 H +ATOM 218 N ASP A 11 -0.867 -0.744 -2.291 1.00 0.30 N +ATOM 219 CA ASP A 11 -0.398 -0.153 -3.577 1.00 0.33 C +ATOM 220 C ASP A 11 0.862 -0.883 -4.055 1.00 0.31 C +ATOM 221 O ASP A 11 1.155 -0.927 -5.235 1.00 0.33 O +ATOM 222 CB ASP A 11 -0.077 1.329 -3.368 1.00 0.38 C +ATOM 223 CG ASP A 11 0.138 2.001 -4.725 1.00 1.14 C +ATOM 224 OD1 ASP A 11 -0.801 2.034 -5.504 1.00 1.83 O +ATOM 225 OD2 ASP A 11 1.239 2.471 -4.963 1.00 1.89 O +ATOM 226 H ASP A 11 -0.746 -0.253 -1.453 1.00 0.31 H +ATOM 227 HA ASP A 11 -1.174 -0.250 -4.322 1.00 0.35 H +ATOM 228 HB2 ASP A 11 -0.900 1.806 -2.856 1.00 0.90 H +ATOM 229 HB3 ASP A 11 0.820 1.423 -2.775 1.00 0.83 H +ATOM 230 N PHE A 12 1.610 -1.458 -3.152 1.00 0.30 N +ATOM 231 CA PHE A 12 2.847 -2.181 -3.560 1.00 0.31 C +ATOM 232 C PHE A 12 2.486 -3.599 -4.005 1.00 0.29 C +ATOM 233 O PHE A 12 3.050 -4.129 -4.941 1.00 0.30 O +ATOM 234 CB PHE A 12 3.812 -2.249 -2.375 1.00 0.36 C +ATOM 235 CG PHE A 12 5.209 -2.519 -2.878 1.00 0.33 C +ATOM 236 CD1 PHE A 12 5.631 -3.836 -3.100 1.00 1.33 C +ATOM 237 CD2 PHE A 12 6.083 -1.454 -3.124 1.00 1.13 C +ATOM 238 CE1 PHE A 12 6.926 -4.087 -3.567 1.00 1.38 C +ATOM 239 CE2 PHE A 12 7.379 -1.704 -3.591 1.00 1.11 C +ATOM 240 CZ PHE A 12 7.800 -3.021 -3.813 1.00 0.45 C +ATOM 241 H PHE A 12 1.360 -1.415 -2.208 1.00 0.30 H +ATOM 242 HA PHE A 12 3.318 -1.654 -4.377 1.00 0.32 H +ATOM 243 HB2 PHE A 12 3.795 -1.309 -1.843 1.00 0.43 H +ATOM 244 HB3 PHE A 12 3.510 -3.044 -1.710 1.00 0.41 H +ATOM 245 HD1 PHE A 12 4.957 -4.658 -2.910 1.00 2.21 H +ATOM 246 HD2 PHE A 12 5.758 -0.438 -2.953 1.00 2.04 H +ATOM 247 HE1 PHE A 12 7.252 -5.102 -3.738 1.00 2.30 H +ATOM 248 HE2 PHE A 12 8.053 -0.882 -3.781 1.00 1.99 H +ATOM 249 HZ PHE A 12 8.800 -3.214 -4.173 1.00 0.53 H +ATOM 250 N LEU A 13 1.548 -4.217 -3.341 1.00 0.35 N +ATOM 251 CA LEU A 13 1.150 -5.600 -3.726 1.00 0.37 C +ATOM 252 C LEU A 13 0.424 -5.561 -5.070 1.00 0.35 C +ATOM 253 O LEU A 13 0.514 -6.476 -5.865 1.00 0.42 O +ATOM 254 CB LEU A 13 0.217 -6.178 -2.660 1.00 0.47 C +ATOM 255 CG LEU A 13 0.897 -6.107 -1.292 1.00 0.60 C +ATOM 256 CD1 LEU A 13 -0.152 -6.268 -0.191 1.00 1.36 C +ATOM 257 CD2 LEU A 13 1.929 -7.229 -1.178 1.00 1.26 C +ATOM 258 H LEU A 13 1.105 -3.770 -2.589 1.00 0.41 H +ATOM 259 HA LEU A 13 2.031 -6.219 -3.809 1.00 0.40 H +ATOM 260 HB2 LEU A 13 -0.700 -5.608 -2.638 1.00 0.76 H +ATOM 261 HB3 LEU A 13 -0.004 -7.208 -2.896 1.00 0.81 H +ATOM 262 HG LEU A 13 1.389 -5.151 -1.184 1.00 1.46 H +ATOM 263 HD11 LEU A 13 -0.647 -7.221 -0.302 1.00 1.94 H +ATOM 264 HD12 LEU A 13 0.330 -6.223 0.775 1.00 2.04 H +ATOM 265 HD13 LEU A 13 -0.880 -5.473 -0.267 1.00 1.72 H +ATOM 266 HD21 LEU A 13 2.301 -7.475 -2.161 1.00 1.87 H +ATOM 267 HD22 LEU A 13 2.747 -6.903 -0.554 1.00 1.88 H +ATOM 268 HD23 LEU A 13 1.466 -8.100 -0.740 1.00 1.75 H +ATOM 269 N SER A 14 -0.298 -4.506 -5.330 1.00 0.38 N +ATOM 270 CA SER A 14 -1.031 -4.404 -6.622 1.00 0.43 C +ATOM 271 C SER A 14 -0.049 -4.046 -7.738 1.00 0.42 C +ATOM 272 O SER A 14 -0.076 -4.621 -8.807 1.00 0.49 O +ATOM 273 CB SER A 14 -2.102 -3.317 -6.516 1.00 0.51 C +ATOM 274 OG SER A 14 -1.682 -2.172 -7.247 1.00 1.40 O +ATOM 275 H SER A 14 -0.356 -3.780 -4.676 1.00 0.43 H +ATOM 276 HA SER A 14 -1.501 -5.351 -6.845 1.00 0.48 H +ATOM 277 HB2 SER A 14 -3.029 -3.680 -6.927 1.00 1.06 H +ATOM 278 HB3 SER A 14 -2.249 -3.059 -5.475 1.00 1.10 H +ATOM 279 HG SER A 14 -2.464 -1.748 -7.608 1.00 1.78 H +ATOM 280 N TYR A 15 0.818 -3.100 -7.500 1.00 0.37 N +ATOM 281 CA TYR A 15 1.800 -2.707 -8.550 1.00 0.41 C +ATOM 282 C TYR A 15 2.589 -3.939 -9.005 1.00 0.43 C +ATOM 283 O TYR A 15 2.750 -4.183 -10.184 1.00 0.58 O +ATOM 284 CB TYR A 15 2.766 -1.666 -7.981 1.00 0.42 C +ATOM 285 CG TYR A 15 2.485 -0.321 -8.608 1.00 0.75 C +ATOM 286 CD1 TYR A 15 1.174 0.166 -8.661 1.00 1.65 C +ATOM 287 CD2 TYR A 15 3.536 0.438 -9.135 1.00 1.48 C +ATOM 288 CE1 TYR A 15 0.914 1.413 -9.242 1.00 2.07 C +ATOM 289 CE2 TYR A 15 3.276 1.685 -9.715 1.00 1.87 C +ATOM 290 CZ TYR A 15 1.965 2.173 -9.769 1.00 1.85 C +ATOM 291 OH TYR A 15 1.709 3.402 -10.341 1.00 2.42 O +ATOM 292 H TYR A 15 0.824 -2.646 -6.629 1.00 0.35 H +ATOM 293 HA TYR A 15 1.274 -2.286 -9.394 1.00 0.49 H +ATOM 294 HB2 TYR A 15 2.634 -1.600 -6.911 1.00 0.59 H +ATOM 295 HB3 TYR A 15 3.782 -1.959 -8.201 1.00 0.67 H +ATOM 296 HD1 TYR A 15 0.363 -0.420 -8.255 1.00 2.35 H +ATOM 297 HD2 TYR A 15 4.548 0.062 -9.094 1.00 2.18 H +ATOM 298 HE1 TYR A 15 -0.098 1.789 -9.283 1.00 2.91 H +ATOM 299 HE2 TYR A 15 4.087 2.271 -10.122 1.00 2.63 H +ATOM 300 HH TYR A 15 1.909 3.341 -11.278 1.00 2.79 H +ATOM 301 N LYS A 16 3.084 -4.715 -8.079 1.00 0.37 N +ATOM 302 CA LYS A 16 3.863 -5.928 -8.460 1.00 0.44 C +ATOM 303 C LYS A 16 2.955 -6.909 -9.206 1.00 0.47 C +ATOM 304 O LYS A 16 3.300 -7.415 -10.254 1.00 0.58 O +ATOM 305 CB LYS A 16 4.412 -6.598 -7.199 1.00 0.48 C +ATOM 306 CG LYS A 16 5.708 -7.337 -7.536 1.00 0.85 C +ATOM 307 CD LYS A 16 6.908 -6.471 -7.147 1.00 1.08 C +ATOM 308 CE LYS A 16 8.147 -6.940 -7.912 1.00 1.31 C +ATOM 309 NZ LYS A 16 9.346 -6.212 -7.410 1.00 1.82 N +ATOM 310 H LYS A 16 2.944 -4.500 -7.133 1.00 0.38 H +ATOM 311 HA LYS A 16 4.683 -5.641 -9.101 1.00 0.51 H +ATOM 312 HB2 LYS A 16 4.610 -5.845 -6.449 1.00 0.68 H +ATOM 313 HB3 LYS A 16 3.687 -7.302 -6.820 1.00 0.68 H +ATOM 314 HG2 LYS A 16 5.744 -8.269 -6.990 1.00 1.51 H +ATOM 315 HG3 LYS A 16 5.742 -7.539 -8.596 1.00 1.66 H +ATOM 316 HD2 LYS A 16 6.701 -5.439 -7.392 1.00 1.82 H +ATOM 317 HD3 LYS A 16 7.087 -6.560 -6.086 1.00 1.69 H +ATOM 318 HE2 LYS A 16 8.281 -8.001 -7.762 1.00 1.92 H +ATOM 319 HE3 LYS A 16 8.017 -6.739 -8.965 1.00 1.67 H +ATOM 320 HZ1 LYS A 16 9.042 -5.395 -6.842 1.00 2.21 H +ATOM 321 HZ2 LYS A 16 9.919 -6.850 -6.823 1.00 2.26 H +ATOM 322 HZ3 LYS A 16 9.914 -5.883 -8.216 1.00 2.18 H +ATOM 323 N LEU A 17 1.796 -7.182 -8.672 1.00 0.48 N +ATOM 324 CA LEU A 17 0.867 -8.130 -9.350 1.00 0.58 C +ATOM 325 C LEU A 17 0.571 -7.648 -10.776 1.00 0.64 C +ATOM 326 O LEU A 17 0.188 -8.422 -11.630 1.00 0.87 O +ATOM 327 CB LEU A 17 -0.442 -8.214 -8.559 1.00 0.87 C +ATOM 328 CG LEU A 17 -0.304 -9.255 -7.446 1.00 0.46 C +ATOM 329 CD1 LEU A 17 -1.526 -9.195 -6.529 1.00 0.62 C +ATOM 330 CD2 LEU A 17 -0.212 -10.651 -8.062 1.00 1.24 C +ATOM 331 H LEU A 17 1.537 -6.765 -7.825 1.00 0.50 H +ATOM 332 HA LEU A 17 1.323 -9.108 -9.391 1.00 0.63 H +ATOM 333 HB2 LEU A 17 -0.661 -7.249 -8.125 1.00 1.42 H +ATOM 334 HB3 LEU A 17 -1.244 -8.501 -9.221 1.00 1.49 H +ATOM 335 HG LEU A 17 0.589 -9.053 -6.872 1.00 0.84 H +ATOM 336 HD11 LEU A 17 -1.855 -8.171 -6.432 1.00 1.33 H +ATOM 337 HD12 LEU A 17 -2.323 -9.791 -6.951 1.00 1.13 H +ATOM 338 HD13 LEU A 17 -1.265 -9.583 -5.555 1.00 1.21 H +ATOM 339 HD21 LEU A 17 0.014 -10.568 -9.114 1.00 1.80 H +ATOM 340 HD22 LEU A 17 0.566 -11.212 -7.568 1.00 1.79 H +ATOM 341 HD23 LEU A 17 -1.155 -11.158 -7.937 1.00 1.75 H +ATOM 342 N SER A 18 0.740 -6.379 -11.045 1.00 0.65 N +ATOM 343 CA SER A 18 0.462 -5.866 -12.418 1.00 0.85 C +ATOM 344 C SER A 18 1.515 -6.400 -13.391 1.00 1.01 C +ATOM 345 O SER A 18 1.211 -6.760 -14.511 1.00 1.28 O +ATOM 346 CB SER A 18 0.507 -4.339 -12.414 1.00 0.95 C +ATOM 347 OG SER A 18 0.023 -3.856 -11.168 1.00 1.45 O +ATOM 348 H SER A 18 1.047 -5.765 -10.347 1.00 0.66 H +ATOM 349 HA SER A 18 -0.518 -6.195 -12.733 1.00 1.01 H +ATOM 350 HB2 SER A 18 1.522 -4.008 -12.551 1.00 1.28 H +ATOM 351 HB3 SER A 18 -0.105 -3.959 -13.221 1.00 1.32 H +ATOM 352 HG SER A 18 -0.700 -3.250 -11.345 1.00 1.92 H +ATOM 353 N GLN A 19 2.751 -6.452 -12.973 1.00 1.08 N +ATOM 354 CA GLN A 19 3.824 -6.962 -13.873 1.00 1.43 C +ATOM 355 C GLN A 19 3.433 -8.344 -14.398 1.00 1.32 C +ATOM 356 O GLN A 19 3.788 -8.727 -15.495 1.00 1.61 O +ATOM 357 CB GLN A 19 5.137 -7.066 -13.094 1.00 1.69 C +ATOM 358 CG GLN A 19 6.049 -5.901 -13.477 1.00 1.77 C +ATOM 359 CD GLN A 19 7.489 -6.225 -13.076 1.00 1.96 C +ATOM 360 OE1 GLN A 19 7.823 -6.218 -11.908 1.00 2.46 O +ATOM 361 NE2 GLN A 19 8.363 -6.512 -14.002 1.00 2.36 N +ATOM 362 H GLN A 19 2.974 -6.154 -12.067 1.00 1.03 H +ATOM 363 HA GLN A 19 3.951 -6.283 -14.704 1.00 1.73 H +ATOM 364 HB2 GLN A 19 4.930 -7.029 -12.034 1.00 2.11 H +ATOM 365 HB3 GLN A 19 5.626 -7.998 -13.334 1.00 1.97 H +ATOM 366 HG2 GLN A 19 5.999 -5.742 -14.545 1.00 2.11 H +ATOM 367 HG3 GLN A 19 5.727 -5.007 -12.965 1.00 2.24 H +ATOM 368 HE21 GLN A 19 8.094 -6.518 -14.944 1.00 2.69 H +ATOM 369 HE22 GLN A 19 9.288 -6.722 -13.754 1.00 2.71 H +ATOM 370 N LYS A 20 2.702 -9.094 -13.622 1.00 1.00 N +ATOM 371 CA LYS A 20 2.284 -10.451 -14.072 1.00 1.05 C +ATOM 372 C LYS A 20 0.968 -10.349 -14.848 1.00 1.32 C +ATOM 373 O LYS A 20 0.686 -11.149 -15.718 1.00 1.63 O +ATOM 374 CB LYS A 20 2.087 -11.355 -12.853 1.00 0.96 C +ATOM 375 CG LYS A 20 3.420 -11.526 -12.123 1.00 1.04 C +ATOM 376 CD LYS A 20 4.038 -12.875 -12.498 1.00 1.33 C +ATOM 377 CE LYS A 20 5.508 -12.677 -12.872 1.00 1.51 C +ATOM 378 NZ LYS A 20 6.198 -13.998 -12.892 1.00 1.98 N +ATOM 379 H LYS A 20 2.427 -8.764 -12.741 1.00 0.83 H +ATOM 380 HA LYS A 20 3.047 -10.870 -14.711 1.00 1.23 H +ATOM 381 HB2 LYS A 20 1.365 -10.906 -12.186 1.00 1.03 H +ATOM 382 HB3 LYS A 20 1.728 -12.320 -13.175 1.00 1.23 H +ATOM 383 HG2 LYS A 20 4.092 -10.729 -12.409 1.00 1.05 H +ATOM 384 HG3 LYS A 20 3.255 -11.492 -11.057 1.00 1.34 H +ATOM 385 HD2 LYS A 20 3.967 -13.549 -11.657 1.00 1.83 H +ATOM 386 HD3 LYS A 20 3.507 -13.292 -13.341 1.00 1.72 H +ATOM 387 HE2 LYS A 20 5.573 -12.222 -13.849 1.00 1.79 H +ATOM 388 HE3 LYS A 20 5.981 -12.035 -12.144 1.00 2.05 H +ATOM 389 HZ1 LYS A 20 5.677 -14.652 -13.509 1.00 2.13 H +ATOM 390 HZ2 LYS A 20 7.165 -13.879 -13.254 1.00 2.57 H +ATOM 391 HZ3 LYS A 20 6.233 -14.384 -11.926 1.00 2.35 H +ATOM 392 N GLY A 21 0.159 -9.370 -14.541 1.00 1.35 N +ATOM 393 CA GLY A 21 -1.137 -9.221 -15.263 1.00 1.80 C +ATOM 394 C GLY A 21 -2.293 -9.318 -14.267 1.00 1.41 C +ATOM 395 O GLY A 21 -3.340 -8.731 -14.457 1.00 1.90 O +ATOM 396 H GLY A 21 0.402 -8.734 -13.837 1.00 1.13 H +ATOM 397 HA2 GLY A 21 -1.164 -8.260 -15.757 1.00 2.21 H +ATOM 398 HA3 GLY A 21 -1.232 -10.006 -15.998 1.00 2.21 H +ATOM 399 N TYR A 22 -2.114 -10.056 -13.205 1.00 0.88 N +ATOM 400 CA TYR A 22 -3.204 -10.190 -12.198 1.00 0.84 C +ATOM 401 C TYR A 22 -3.625 -8.801 -11.711 1.00 1.04 C +ATOM 402 O TYR A 22 -2.916 -7.830 -11.884 1.00 1.77 O +ATOM 403 CB TYR A 22 -2.702 -11.014 -11.010 1.00 1.10 C +ATOM 404 CG TYR A 22 -2.692 -12.478 -11.380 1.00 0.84 C +ATOM 405 CD1 TYR A 22 -1.573 -13.032 -12.013 1.00 1.41 C +ATOM 406 CD2 TYR A 22 -3.801 -13.281 -11.090 1.00 1.36 C +ATOM 407 CE1 TYR A 22 -1.563 -14.389 -12.356 1.00 1.40 C +ATOM 408 CE2 TYR A 22 -3.791 -14.639 -11.433 1.00 1.37 C +ATOM 409 CZ TYR A 22 -2.672 -15.193 -12.066 1.00 0.84 C +ATOM 410 OH TYR A 22 -2.662 -16.531 -12.403 1.00 1.07 O +ATOM 411 H TYR A 22 -1.263 -10.522 -13.070 1.00 1.05 H +ATOM 412 HA TYR A 22 -4.051 -10.686 -12.648 1.00 0.82 H +ATOM 413 HB2 TYR A 22 -1.701 -10.701 -10.752 1.00 1.39 H +ATOM 414 HB3 TYR A 22 -3.356 -10.863 -10.164 1.00 1.44 H +ATOM 415 HD1 TYR A 22 -0.717 -12.412 -12.237 1.00 2.23 H +ATOM 416 HD2 TYR A 22 -4.664 -12.854 -10.602 1.00 2.16 H +ATOM 417 HE1 TYR A 22 -0.699 -14.817 -12.844 1.00 2.20 H +ATOM 418 HE2 TYR A 22 -4.647 -15.259 -11.209 1.00 2.18 H +ATOM 419 HH TYR A 22 -2.992 -16.612 -13.301 1.00 1.26 H +ATOM 420 N SER A 23 -4.775 -8.700 -11.102 1.00 0.98 N +ATOM 421 CA SER A 23 -5.242 -7.376 -10.603 1.00 1.15 C +ATOM 422 C SER A 23 -5.622 -7.496 -9.125 1.00 1.01 C +ATOM 423 O SER A 23 -6.101 -8.519 -8.680 1.00 1.21 O +ATOM 424 CB SER A 23 -6.463 -6.929 -11.409 1.00 1.41 C +ATOM 425 OG SER A 23 -6.065 -5.950 -12.360 1.00 2.04 O +ATOM 426 H SER A 23 -5.332 -9.496 -10.972 1.00 1.35 H +ATOM 427 HA SER A 23 -4.451 -6.649 -10.714 1.00 1.27 H +ATOM 428 HB2 SER A 23 -6.885 -7.774 -11.926 1.00 1.73 H +ATOM 429 HB3 SER A 23 -7.203 -6.514 -10.738 1.00 1.57 H +ATOM 430 HG SER A 23 -6.808 -5.785 -12.944 1.00 2.24 H +ATOM 431 N TRP A 24 -5.411 -6.459 -8.361 1.00 0.86 N +ATOM 432 CA TRP A 24 -5.761 -6.519 -6.913 1.00 0.74 C +ATOM 433 C TRP A 24 -7.280 -6.441 -6.748 1.00 0.81 C +ATOM 434 O TRP A 24 -7.844 -7.012 -5.836 1.00 1.50 O +ATOM 435 CB TRP A 24 -5.107 -5.348 -6.179 1.00 0.70 C +ATOM 436 CG TRP A 24 -5.483 -5.401 -4.733 1.00 0.58 C +ATOM 437 CD1 TRP A 24 -6.628 -4.907 -4.212 1.00 0.56 C +ATOM 438 CD2 TRP A 24 -4.739 -5.973 -3.619 1.00 0.53 C +ATOM 439 NE1 TRP A 24 -6.634 -5.135 -2.848 1.00 0.50 N +ATOM 440 CE2 TRP A 24 -5.491 -5.791 -2.435 1.00 0.48 C +ATOM 441 CE3 TRP A 24 -3.496 -6.625 -3.521 1.00 0.58 C +ATOM 442 CZ2 TRP A 24 -5.028 -6.239 -1.197 1.00 0.49 C +ATOM 443 CZ3 TRP A 24 -3.027 -7.078 -2.277 1.00 0.58 C +ATOM 444 CH2 TRP A 24 -3.792 -6.885 -1.118 1.00 0.54 C +ATOM 445 H TRP A 24 -5.023 -5.642 -8.738 1.00 1.01 H +ATOM 446 HA TRP A 24 -5.403 -7.448 -6.496 1.00 0.71 H +ATOM 447 HB2 TRP A 24 -4.033 -5.416 -6.275 1.00 0.74 H +ATOM 448 HB3 TRP A 24 -5.450 -4.417 -6.606 1.00 0.77 H +ATOM 449 HD1 TRP A 24 -7.409 -4.413 -4.770 1.00 0.63 H +ATOM 450 HE1 TRP A 24 -7.351 -4.873 -2.234 1.00 0.52 H +ATOM 451 HE3 TRP A 24 -2.900 -6.778 -4.408 1.00 0.66 H +ATOM 452 HZ2 TRP A 24 -5.621 -6.089 -0.307 1.00 0.51 H +ATOM 453 HZ3 TRP A 24 -2.072 -7.578 -2.213 1.00 0.66 H +ATOM 454 HH2 TRP A 24 -3.426 -7.236 -0.165 1.00 0.60 H +ATOM 455 N SER A 25 -7.947 -5.740 -7.623 1.00 0.87 N +ATOM 456 CA SER A 25 -9.429 -5.629 -7.513 1.00 0.89 C +ATOM 457 C SER A 25 -10.066 -7.004 -7.738 1.00 1.02 C +ATOM 458 O SER A 25 -11.134 -7.292 -7.236 1.00 1.44 O +ATOM 459 CB SER A 25 -9.946 -4.649 -8.566 1.00 1.27 C +ATOM 460 OG SER A 25 -9.375 -3.368 -8.336 1.00 1.75 O +ATOM 461 H SER A 25 -7.474 -5.287 -8.352 1.00 1.41 H +ATOM 462 HA SER A 25 -9.690 -5.269 -6.529 1.00 0.90 H +ATOM 463 HB2 SER A 25 -9.665 -4.991 -9.548 1.00 1.81 H +ATOM 464 HB3 SER A 25 -11.025 -4.591 -8.503 1.00 1.79 H +ATOM 465 HG SER A 25 -9.400 -2.879 -9.161 1.00 2.29 H +ATOM 466 N GLN A 26 -9.421 -7.854 -8.490 1.00 1.26 N +ATOM 467 CA GLN A 26 -9.991 -9.207 -8.747 1.00 1.57 C +ATOM 468 C GLN A 26 -10.298 -9.901 -7.417 1.00 1.21 C +ATOM 469 O GLN A 26 -11.188 -10.724 -7.328 1.00 1.44 O +ATOM 470 CB GLN A 26 -8.982 -10.043 -9.535 1.00 2.13 C +ATOM 471 CG GLN A 26 -9.648 -11.336 -10.010 1.00 2.79 C +ATOM 472 CD GLN A 26 -10.341 -11.091 -11.352 1.00 3.45 C +ATOM 473 OE1 GLN A 26 -10.092 -10.097 -12.004 1.00 3.81 O +ATOM 474 NE2 GLN A 26 -11.208 -11.961 -11.794 1.00 4.10 N +ATOM 475 H GLN A 26 -8.561 -7.604 -8.887 1.00 1.54 H +ATOM 476 HA GLN A 26 -10.902 -9.110 -9.319 1.00 1.94 H +ATOM 477 HB2 GLN A 26 -8.637 -9.479 -10.390 1.00 2.52 H +ATOM 478 HB3 GLN A 26 -8.142 -10.286 -8.902 1.00 2.16 H +ATOM 479 HG2 GLN A 26 -8.898 -12.106 -10.127 1.00 3.01 H +ATOM 480 HG3 GLN A 26 -10.379 -11.653 -9.282 1.00 3.16 H +ATOM 481 HE21 GLN A 26 -11.409 -12.763 -11.268 1.00 4.25 H +ATOM 482 HE22 GLN A 26 -11.657 -11.812 -12.652 1.00 4.67 H +ATOM 483 N PHE A 27 -9.571 -9.579 -6.381 1.00 1.06 N +ATOM 484 CA PHE A 27 -9.828 -10.227 -5.064 1.00 1.01 C +ATOM 485 C PHE A 27 -10.627 -9.274 -4.171 1.00 1.57 C +ATOM 486 O PHE A 27 -11.780 -9.524 -3.880 1.00 2.38 O +ATOM 487 CB PHE A 27 -8.496 -10.574 -4.391 1.00 0.98 C +ATOM 488 CG PHE A 27 -7.414 -10.667 -5.439 1.00 0.75 C +ATOM 489 CD1 PHE A 27 -7.543 -11.571 -6.500 1.00 1.41 C +ATOM 490 CD2 PHE A 27 -6.282 -9.849 -5.350 1.00 1.33 C +ATOM 491 CE1 PHE A 27 -6.541 -11.657 -7.473 1.00 1.54 C +ATOM 492 CE2 PHE A 27 -5.279 -9.935 -6.323 1.00 1.40 C +ATOM 493 CZ PHE A 27 -5.409 -10.838 -7.384 1.00 1.06 C +ATOM 494 H PHE A 27 -8.857 -8.913 -6.471 1.00 1.31 H +ATOM 495 HA PHE A 27 -10.397 -11.133 -5.217 1.00 1.00 H +ATOM 496 HB2 PHE A 27 -8.239 -9.807 -3.675 1.00 1.32 H +ATOM 497 HB3 PHE A 27 -8.585 -11.523 -3.884 1.00 1.12 H +ATOM 498 HD1 PHE A 27 -8.417 -12.202 -6.568 1.00 2.20 H +ATOM 499 HD2 PHE A 27 -6.182 -9.152 -4.531 1.00 2.15 H +ATOM 500 HE1 PHE A 27 -6.640 -12.354 -8.291 1.00 2.37 H +ATOM 501 HE2 PHE A 27 -4.405 -9.304 -6.255 1.00 2.19 H +ATOM 502 HZ PHE A 27 -4.634 -10.905 -8.133 1.00 1.34 H +ATOM 503 N SER A 28 -10.010 -8.191 -3.745 1.00 1.73 N +ATOM 504 CA SER A 28 -10.690 -7.178 -2.864 1.00 2.24 C +ATOM 505 C SER A 28 -10.621 -7.603 -1.388 1.00 2.50 C +ATOM 506 O SER A 28 -10.324 -6.800 -0.526 1.00 2.85 O +ATOM 507 CB SER A 28 -12.152 -6.986 -3.278 1.00 2.89 C +ATOM 508 OG SER A 28 -12.610 -5.724 -2.812 1.00 3.25 O +ATOM 509 H SER A 28 -9.080 -8.039 -4.011 1.00 1.99 H +ATOM 510 HA SER A 28 -10.174 -6.234 -2.971 1.00 2.65 H +ATOM 511 HB2 SER A 28 -12.232 -7.018 -4.352 1.00 3.22 H +ATOM 512 HB3 SER A 28 -12.753 -7.779 -2.851 1.00 3.44 H +ATOM 513 HG SER A 28 -11.860 -5.254 -2.442 1.00 3.64 H +ATOM 514 N ASP A 29 -10.893 -8.846 -1.082 1.00 3.01 N +ATOM 515 CA ASP A 29 -10.839 -9.292 0.341 1.00 3.76 C +ATOM 516 C ASP A 29 -11.926 -8.580 1.153 1.00 4.29 C +ATOM 517 O ASP A 29 -11.838 -8.470 2.359 1.00 4.82 O +ATOM 518 CB ASP A 29 -9.470 -8.954 0.928 1.00 4.27 C +ATOM 519 CG ASP A 29 -8.976 -10.123 1.782 1.00 4.83 C +ATOM 520 OD1 ASP A 29 -8.813 -11.202 1.236 1.00 5.40 O +ATOM 521 OD2 ASP A 29 -8.770 -9.920 2.967 1.00 5.08 O +ATOM 522 H ASP A 29 -11.133 -9.483 -1.779 1.00 3.22 H +ATOM 523 HA ASP A 29 -10.996 -10.360 0.389 1.00 4.04 H +ATOM 524 HB2 ASP A 29 -8.772 -8.771 0.124 1.00 4.10 H +ATOM 525 HB3 ASP A 29 -9.553 -8.070 1.542 1.00 4.87 H +ATOM 526 N VAL A 30 -12.949 -8.095 0.504 1.00 4.51 N +ATOM 527 CA VAL A 30 -14.033 -7.395 1.235 1.00 5.28 C +ATOM 528 C VAL A 30 -15.374 -8.031 0.847 1.00 5.71 C +ATOM 529 O VAL A 30 -15.445 -9.210 0.559 1.00 6.11 O +ATOM 530 CB VAL A 30 -14.008 -5.913 0.851 1.00 5.83 C +ATOM 531 CG1 VAL A 30 -14.451 -5.067 2.046 1.00 6.71 C +ATOM 532 CG2 VAL A 30 -12.586 -5.517 0.447 1.00 5.89 C +ATOM 533 H VAL A 30 -13.008 -8.190 -0.465 1.00 4.41 H +ATOM 534 HA VAL A 30 -13.878 -7.498 2.299 1.00 5.51 H +ATOM 535 HB VAL A 30 -14.681 -5.745 0.022 1.00 5.91 H +ATOM 536 HG11 VAL A 30 -14.564 -5.701 2.913 1.00 6.98 H +ATOM 537 HG12 VAL A 30 -13.708 -4.311 2.247 1.00 6.96 H +ATOM 538 HG13 VAL A 30 -15.395 -4.594 1.821 1.00 7.08 H +ATOM 539 HG21 VAL A 30 -11.880 -5.965 1.130 1.00 6.19 H +ATOM 540 HG22 VAL A 30 -12.387 -5.864 -0.556 1.00 6.03 H +ATOM 541 HG23 VAL A 30 -12.489 -4.442 0.482 1.00 5.87 H +ATOM 542 N GLU A 31 -16.436 -7.275 0.834 1.00 5.98 N +ATOM 543 CA GLU A 31 -17.757 -7.856 0.462 1.00 6.73 C +ATOM 544 C GLU A 31 -18.464 -6.928 -0.528 1.00 7.10 C +ATOM 545 O GLU A 31 -19.619 -6.590 -0.360 1.00 7.60 O +ATOM 546 CB GLU A 31 -18.617 -8.013 1.718 1.00 7.35 C +ATOM 547 CG GLU A 31 -17.828 -8.772 2.787 1.00 7.66 C +ATOM 548 CD GLU A 31 -17.335 -7.791 3.852 1.00 8.44 C +ATOM 549 OE1 GLU A 31 -18.148 -7.356 4.650 1.00 8.83 O +ATOM 550 OE2 GLU A 31 -16.152 -7.492 3.852 1.00 8.86 O +ATOM 551 H GLU A 31 -16.369 -6.331 1.066 1.00 5.90 H +ATOM 552 HA GLU A 31 -17.608 -8.823 0.005 1.00 6.89 H +ATOM 553 HB2 GLU A 31 -18.887 -7.036 2.094 1.00 7.49 H +ATOM 554 HB3 GLU A 31 -19.512 -8.565 1.475 1.00 7.74 H +ATOM 555 HG2 GLU A 31 -18.466 -9.513 3.246 1.00 7.49 H +ATOM 556 HG3 GLU A 31 -16.980 -9.260 2.330 1.00 7.78 H +ATOM 557 N GLU A 32 -17.780 -6.513 -1.560 1.00 7.14 N +ATOM 558 CA GLU A 32 -18.415 -5.608 -2.559 1.00 7.72 C +ATOM 559 C GLU A 32 -18.802 -4.290 -1.885 1.00 7.88 C +ATOM 560 O GLU A 32 -19.900 -3.797 -2.049 1.00 8.11 O +ATOM 561 CB GLU A 32 -19.668 -6.277 -3.129 1.00 7.83 C +ATOM 562 CG GLU A 32 -19.367 -7.744 -3.441 1.00 8.25 C +ATOM 563 CD GLU A 32 -20.076 -8.639 -2.421 1.00 9.00 C +ATOM 564 OE1 GLU A 32 -21.295 -8.634 -2.405 1.00 9.32 O +ATOM 565 OE2 GLU A 32 -19.386 -9.313 -1.674 1.00 9.46 O +ATOM 566 H GLU A 32 -16.850 -6.798 -1.677 1.00 6.96 H +ATOM 567 HA GLU A 32 -17.717 -5.411 -3.360 1.00 8.25 H +ATOM 568 HB2 GLU A 32 -20.468 -6.218 -2.405 1.00 7.83 H +ATOM 569 HB3 GLU A 32 -19.965 -5.772 -4.036 1.00 7.94 H +ATOM 570 HG2 GLU A 32 -19.720 -7.981 -4.434 1.00 8.30 H +ATOM 571 HG3 GLU A 32 -18.303 -7.914 -3.386 1.00 8.28 H +ATOM 572 N ASN A 33 -17.908 -3.713 -1.129 1.00 8.06 N +ATOM 573 CA ASN A 33 -18.226 -2.427 -0.446 1.00 8.52 C +ATOM 574 C ASN A 33 -19.440 -2.617 0.467 1.00 8.44 C +ATOM 575 O ASN A 33 -20.061 -3.661 0.481 1.00 8.28 O +ATOM 576 CB ASN A 33 -18.542 -1.359 -1.496 1.00 9.05 C +ATOM 577 CG ASN A 33 -17.610 -0.161 -1.303 1.00 9.57 C +ATOM 578 OD1 ASN A 33 -16.482 -0.316 -0.882 1.00 9.79 O +ATOM 579 ND2 ASN A 33 -18.038 1.037 -1.596 1.00 10.01 N +ATOM 580 H ASN A 33 -17.027 -4.126 -1.009 1.00 8.08 H +ATOM 581 HA ASN A 33 -17.378 -2.112 0.143 1.00 8.85 H +ATOM 582 HB2 ASN A 33 -18.400 -1.772 -2.484 1.00 9.05 H +ATOM 583 HB3 ASN A 33 -19.567 -1.036 -1.384 1.00 9.32 H +ATOM 584 HD21 ASN A 33 -18.949 1.163 -1.936 1.00 9.99 H +ATOM 585 HD22 ASN A 33 -17.449 1.811 -1.477 1.00 10.49 H +ATOM 586 N ARG A 34 -19.782 -1.615 1.230 1.00 8.84 N +ATOM 587 CA ARG A 34 -20.955 -1.736 2.141 1.00 9.10 C +ATOM 588 C ARG A 34 -20.780 -2.962 3.040 1.00 9.35 C +ATOM 589 O ARG A 34 -19.773 -3.641 2.991 1.00 9.37 O +ATOM 590 CB ARG A 34 -22.231 -1.892 1.312 1.00 9.47 C +ATOM 591 CG ARG A 34 -22.555 -0.568 0.618 1.00 9.88 C +ATOM 592 CD ARG A 34 -24.060 -0.482 0.359 1.00 10.31 C +ATOM 593 NE ARG A 34 -24.427 -1.408 -0.750 1.00 10.74 N +ATOM 594 CZ ARG A 34 -23.786 -1.353 -1.886 1.00 11.32 C +ATOM 595 NH1 ARG A 34 -23.346 -0.209 -2.333 1.00 11.76 N +ATOM 596 NH2 ARG A 34 -23.587 -2.443 -2.575 1.00 11.63 N +ATOM 597 H ARG A 34 -19.268 -0.781 1.202 1.00 9.14 H +ATOM 598 HA ARG A 34 -21.029 -0.849 2.752 1.00 9.15 H +ATOM 599 HB2 ARG A 34 -22.085 -2.663 0.569 1.00 9.53 H +ATOM 600 HB3 ARG A 34 -23.050 -2.167 1.959 1.00 9.65 H +ATOM 601 HG2 ARG A 34 -22.249 0.253 1.250 1.00 10.11 H +ATOM 602 HG3 ARG A 34 -22.026 -0.515 -0.322 1.00 9.89 H +ATOM 603 HD2 ARG A 34 -24.596 -0.761 1.254 1.00 10.25 H +ATOM 604 HD3 ARG A 34 -24.320 0.530 0.084 1.00 10.60 H +ATOM 605 HE ARG A 34 -25.150 -2.058 -0.626 1.00 10.73 H +ATOM 606 HH11 ARG A 34 -23.499 0.627 -1.806 1.00 11.66 H +ATOM 607 HH12 ARG A 34 -22.854 -0.168 -3.203 1.00 12.30 H +ATOM 608 HH21 ARG A 34 -23.925 -3.320 -2.233 1.00 11.43 H +ATOM 609 HH22 ARG A 34 -23.095 -2.402 -3.445 1.00 12.19 H +ATOM 610 N THR A 35 -21.754 -3.251 3.860 1.00 9.80 N +ATOM 611 CA THR A 35 -21.642 -4.434 4.759 1.00 10.35 C +ATOM 612 C THR A 35 -21.357 -5.681 3.921 1.00 10.61 C +ATOM 613 O THR A 35 -20.301 -6.275 4.015 1.00 11.02 O +ATOM 614 CB THR A 35 -22.955 -4.619 5.524 1.00 10.99 C +ATOM 615 OG1 THR A 35 -23.523 -3.347 5.803 1.00 11.15 O +ATOM 616 CG2 THR A 35 -22.685 -5.358 6.835 1.00 11.64 C +ATOM 617 H THR A 35 -22.558 -2.691 3.883 1.00 9.93 H +ATOM 618 HA THR A 35 -20.836 -4.278 5.460 1.00 10.35 H +ATOM 619 HB THR A 35 -23.643 -5.197 4.926 1.00 11.09 H +ATOM 620 HG1 THR A 35 -24.114 -3.444 6.553 1.00 11.36 H +ATOM 621 HG21 THR A 35 -21.760 -5.002 7.265 1.00 11.89 H +ATOM 622 HG22 THR A 35 -23.496 -5.176 7.525 1.00 11.90 H +ATOM 623 HG23 THR A 35 -22.607 -6.418 6.642 1.00 11.79 H +ATOM 624 N GLU A 36 -22.288 -6.080 3.099 1.00 10.59 N +ATOM 625 CA GLU A 36 -22.067 -7.287 2.253 1.00 11.05 C +ATOM 626 C GLU A 36 -22.913 -7.189 0.979 1.00 10.70 C +ATOM 627 O GLU A 36 -23.247 -8.187 0.371 1.00 10.48 O +ATOM 628 CB GLU A 36 -22.468 -8.539 3.036 1.00 11.67 C +ATOM 629 CG GLU A 36 -21.375 -9.600 2.898 1.00 12.45 C +ATOM 630 CD GLU A 36 -21.747 -10.828 3.731 1.00 13.06 C +ATOM 631 OE1 GLU A 36 -22.889 -10.909 4.152 1.00 13.53 O +ATOM 632 OE2 GLU A 36 -20.884 -11.666 3.933 1.00 13.21 O +ATOM 633 H GLU A 36 -23.132 -5.586 3.036 1.00 10.42 H +ATOM 634 HA GLU A 36 -21.024 -7.349 1.984 1.00 11.42 H +ATOM 635 HB2 GLU A 36 -22.596 -8.285 4.078 1.00 11.68 H +ATOM 636 HB3 GLU A 36 -23.395 -8.928 2.643 1.00 11.72 H +ATOM 637 HG2 GLU A 36 -21.277 -9.883 1.860 1.00 12.76 H +ATOM 638 HG3 GLU A 36 -20.437 -9.198 3.252 1.00 12.45 H +ATOM 639 N ALA A 37 -23.257 -5.996 0.570 1.00 10.86 N +ATOM 640 CA ALA A 37 -24.078 -5.831 -0.665 1.00 10.79 C +ATOM 641 C ALA A 37 -25.330 -6.709 -0.581 1.00 11.37 C +ATOM 642 O ALA A 37 -25.453 -7.682 -1.297 1.00 11.62 O +ATOM 643 CB ALA A 37 -23.249 -6.242 -1.883 1.00 10.44 C +ATOM 644 H ALA A 37 -22.974 -5.206 1.074 1.00 11.18 H +ATOM 645 HA ALA A 37 -24.371 -4.796 -0.765 1.00 10.82 H +ATOM 646 HB1 ALA A 37 -22.327 -5.680 -1.897 1.00 10.38 H +ATOM 647 HB2 ALA A 37 -23.027 -7.298 -1.827 1.00 10.38 H +ATOM 648 HB3 ALA A 37 -23.809 -6.040 -2.784 1.00 10.53 H +ATOM 649 N PRO A 38 -26.225 -6.332 0.297 1.00 11.75 N +ATOM 650 CA PRO A 38 -27.487 -7.047 0.519 1.00 12.48 C +ATOM 651 C PRO A 38 -28.568 -6.624 -0.489 1.00 12.56 C +ATOM 652 O PRO A 38 -29.738 -6.888 -0.291 1.00 12.38 O +ATOM 653 CB PRO A 38 -27.919 -6.663 1.925 1.00 12.95 C +ATOM 654 CG PRO A 38 -27.292 -5.254 2.111 1.00 12.48 C +ATOM 655 CD PRO A 38 -26.061 -5.151 1.169 1.00 11.69 C +ATOM 656 HA PRO A 38 -27.326 -8.105 0.461 1.00 12.81 H +ATOM 657 HB2 PRO A 38 -28.999 -6.620 1.993 1.00 13.33 H +ATOM 658 HB3 PRO A 38 -27.513 -7.347 2.653 1.00 13.33 H +ATOM 659 HG2 PRO A 38 -28.017 -4.494 1.854 1.00 12.54 H +ATOM 660 HG3 PRO A 38 -26.974 -5.126 3.134 1.00 12.81 H +ATOM 661 HD2 PRO A 38 -26.096 -4.236 0.593 1.00 11.33 H +ATOM 662 HD3 PRO A 38 -25.142 -5.222 1.728 1.00 11.69 H +ATOM 663 N GLU A 39 -28.196 -5.979 -1.559 1.00 13.00 N +ATOM 664 CA GLU A 39 -29.207 -5.548 -2.569 1.00 13.27 C +ATOM 665 C GLU A 39 -30.322 -4.757 -1.881 1.00 13.38 C +ATOM 666 O GLU A 39 -31.463 -5.173 -1.854 1.00 13.29 O +ATOM 667 CB GLU A 39 -29.803 -6.780 -3.252 1.00 13.49 C +ATOM 668 CG GLU A 39 -29.044 -7.062 -4.550 1.00 13.73 C +ATOM 669 CD GLU A 39 -30.043 -7.343 -5.674 1.00 14.04 C +ATOM 670 OE1 GLU A 39 -31.040 -6.643 -5.743 1.00 14.17 O +ATOM 671 OE2 GLU A 39 -29.793 -8.252 -6.448 1.00 14.29 O +ATOM 672 H GLU A 39 -27.255 -5.780 -1.702 1.00 13.26 H +ATOM 673 HA GLU A 39 -28.729 -4.923 -3.309 1.00 13.44 H +ATOM 674 HB2 GLU A 39 -29.721 -7.632 -2.592 1.00 13.50 H +ATOM 675 HB3 GLU A 39 -30.843 -6.598 -3.477 1.00 13.65 H +ATOM 676 HG2 GLU A 39 -28.442 -6.203 -4.808 1.00 13.62 H +ATOM 677 HG3 GLU A 39 -28.406 -7.922 -4.414 1.00 13.97 H +ATOM 678 N GLY A 40 -30.003 -3.621 -1.325 1.00 13.75 N +ATOM 679 CA GLY A 40 -31.050 -2.810 -0.641 1.00 14.06 C +ATOM 680 C GLY A 40 -30.427 -1.527 -0.088 1.00 14.30 C +ATOM 681 O GLY A 40 -30.497 -1.251 1.093 1.00 14.57 O +ATOM 682 H GLY A 40 -29.077 -3.302 -1.358 1.00 13.94 H +ATOM 683 HA2 GLY A 40 -31.828 -2.558 -1.348 1.00 14.15 H +ATOM 684 HA3 GLY A 40 -31.473 -3.379 0.172 1.00 14.20 H +ATOM 685 N THR A 41 -29.817 -0.741 -0.932 1.00 14.37 N +ATOM 686 CA THR A 41 -29.192 0.523 -0.452 1.00 14.76 C +ATOM 687 C THR A 41 -29.314 1.598 -1.534 1.00 14.83 C +ATOM 688 O THR A 41 -29.714 2.715 -1.269 1.00 15.09 O +ATOM 689 CB THR A 41 -27.714 0.275 -0.140 1.00 15.14 C +ATOM 690 OG1 THR A 41 -27.590 -0.901 0.647 1.00 15.18 O +ATOM 691 CG2 THR A 41 -27.145 1.469 0.628 1.00 15.29 C +ATOM 692 H THR A 41 -29.771 -0.981 -1.880 1.00 14.26 H +ATOM 693 HA THR A 41 -29.696 0.856 0.443 1.00 14.90 H +ATOM 694 HB THR A 41 -27.167 0.152 -1.062 1.00 15.44 H +ATOM 695 HG1 THR A 41 -28.280 -0.886 1.314 1.00 15.33 H +ATOM 696 HG21 THR A 41 -27.876 2.264 0.651 1.00 15.39 H +ATOM 697 HG22 THR A 41 -26.910 1.167 1.638 1.00 15.22 H +ATOM 698 HG23 THR A 41 -26.248 1.818 0.139 1.00 15.52 H +ATOM 699 N GLU A 42 -28.975 1.274 -2.753 1.00 14.76 N +ATOM 700 CA GLU A 42 -29.076 2.283 -3.845 1.00 15.00 C +ATOM 701 C GLU A 42 -29.504 1.598 -5.145 1.00 15.23 C +ATOM 702 O GLU A 42 -29.283 0.420 -5.336 1.00 15.45 O +ATOM 703 CB GLU A 42 -27.715 2.955 -4.048 1.00 15.36 C +ATOM 704 CG GLU A 42 -26.648 1.888 -4.306 1.00 15.59 C +ATOM 705 CD GLU A 42 -26.111 1.367 -2.972 1.00 15.95 C +ATOM 706 OE1 GLU A 42 -25.966 2.166 -2.061 1.00 16.19 O +ATOM 707 OE2 GLU A 42 -25.853 0.178 -2.883 1.00 16.11 O +ATOM 708 H GLU A 42 -28.655 0.368 -2.948 1.00 14.66 H +ATOM 709 HA GLU A 42 -29.807 3.031 -3.576 1.00 14.94 H +ATOM 710 HB2 GLU A 42 -27.768 3.624 -4.894 1.00 15.55 H +ATOM 711 HB3 GLU A 42 -27.454 3.515 -3.162 1.00 15.43 H +ATOM 712 HG2 GLU A 42 -27.083 1.071 -4.863 1.00 15.57 H +ATOM 713 HG3 GLU A 42 -25.838 2.320 -4.873 1.00 15.67 H +ATOM 714 N SER A 43 -30.115 2.339 -6.036 1.00 15.34 N +ATOM 715 CA SER A 43 -30.571 1.763 -7.339 1.00 15.72 C +ATOM 716 C SER A 43 -31.807 0.882 -7.128 1.00 15.93 C +ATOM 717 O SER A 43 -32.071 -0.022 -7.895 1.00 15.87 O +ATOM 718 CB SER A 43 -29.449 0.934 -7.970 1.00 15.67 C +ATOM 719 OG SER A 43 -29.665 0.840 -9.371 1.00 16.14 O +ATOM 720 H SER A 43 -30.275 3.287 -5.846 1.00 15.27 H +ATOM 721 HA SER A 43 -30.829 2.571 -8.006 1.00 16.06 H +ATOM 722 HB2 SER A 43 -28.500 1.412 -7.789 1.00 15.42 H +ATOM 723 HB3 SER A 43 -29.441 -0.054 -7.529 1.00 15.69 H +ATOM 724 HG SER A 43 -30.572 0.559 -9.513 1.00 16.22 H +ATOM 725 N GLU A 44 -32.575 1.141 -6.103 1.00 16.30 N +ATOM 726 CA GLU A 44 -33.797 0.317 -5.866 1.00 16.66 C +ATOM 727 C GLU A 44 -34.789 1.069 -4.965 1.00 16.98 C +ATOM 728 O GLU A 44 -35.987 0.971 -5.140 1.00 17.12 O +ATOM 729 CB GLU A 44 -33.416 -1.041 -5.247 1.00 16.89 C +ATOM 730 CG GLU A 44 -32.995 -0.904 -3.775 1.00 17.16 C +ATOM 731 CD GLU A 44 -31.580 -0.335 -3.692 1.00 17.34 C +ATOM 732 OE1 GLU A 44 -30.650 -1.085 -3.937 1.00 17.50 O +ATOM 733 OE2 GLU A 44 -31.450 0.836 -3.378 1.00 17.44 O +ATOM 734 H GLU A 44 -32.353 1.876 -5.502 1.00 16.44 H +ATOM 735 HA GLU A 44 -34.275 0.138 -6.819 1.00 16.68 H +ATOM 736 HB2 GLU A 44 -34.264 -1.702 -5.308 1.00 16.79 H +ATOM 737 HB3 GLU A 44 -32.597 -1.466 -5.809 1.00 17.11 H +ATOM 738 HG2 GLU A 44 -33.678 -0.258 -3.250 1.00 17.48 H +ATOM 739 HG3 GLU A 44 -33.008 -1.880 -3.313 1.00 17.06 H +ATOM 740 N MET A 45 -34.311 1.818 -4.003 1.00 17.20 N +ATOM 741 CA MET A 45 -35.240 2.562 -3.107 1.00 17.63 C +ATOM 742 C MET A 45 -36.223 1.584 -2.460 1.00 17.34 C +ATOM 743 O MET A 45 -36.190 0.396 -2.710 1.00 17.14 O +ATOM 744 CB MET A 45 -36.014 3.601 -3.922 1.00 18.16 C +ATOM 745 CG MET A 45 -35.043 4.651 -4.465 1.00 18.75 C +ATOM 746 SD MET A 45 -34.925 6.026 -3.293 1.00 19.46 S +ATOM 747 CE MET A 45 -33.317 6.651 -3.839 1.00 19.96 C +ATOM 748 H MET A 45 -33.347 1.889 -3.869 1.00 17.17 H +ATOM 749 HA MET A 45 -34.672 3.062 -2.337 1.00 17.89 H +ATOM 750 HB2 MET A 45 -36.515 3.113 -4.745 1.00 18.09 H +ATOM 751 HB3 MET A 45 -36.745 4.083 -3.290 1.00 18.32 H +ATOM 752 HG2 MET A 45 -34.068 4.206 -4.596 1.00 18.90 H +ATOM 753 HG3 MET A 45 -35.403 5.018 -5.415 1.00 18.70 H +ATOM 754 HE1 MET A 45 -32.572 5.876 -3.725 1.00 20.24 H +ATOM 755 HE2 MET A 45 -33.380 6.947 -4.878 1.00 19.97 H +ATOM 756 HE3 MET A 45 -33.039 7.504 -3.241 1.00 20.08 H +ATOM 757 N GLU A 46 -37.100 2.075 -1.627 1.00 17.42 N +ATOM 758 CA GLU A 46 -38.084 1.174 -0.965 1.00 17.27 C +ATOM 759 C GLU A 46 -39.497 1.710 -1.193 1.00 17.47 C +ATOM 760 O GLU A 46 -40.374 1.550 -0.367 1.00 17.85 O +ATOM 761 CB GLU A 46 -37.795 1.119 0.537 1.00 17.23 C +ATOM 762 CG GLU A 46 -38.060 -0.295 1.057 1.00 17.11 C +ATOM 763 CD GLU A 46 -36.737 -0.949 1.456 1.00 17.36 C +ATOM 764 OE1 GLU A 46 -36.185 -0.553 2.470 1.00 17.53 O +ATOM 765 OE2 GLU A 46 -36.297 -1.835 0.742 1.00 17.49 O +ATOM 766 H GLU A 46 -37.111 3.037 -1.438 1.00 17.67 H +ATOM 767 HA GLU A 46 -38.003 0.182 -1.384 1.00 17.21 H +ATOM 768 HB2 GLU A 46 -36.762 1.381 0.714 1.00 17.34 H +ATOM 769 HB3 GLU A 46 -38.438 1.816 1.053 1.00 17.32 H +ATOM 770 HG2 GLU A 46 -38.713 -0.246 1.917 1.00 17.12 H +ATOM 771 HG3 GLU A 46 -38.530 -0.882 0.281 1.00 17.01 H +ATOM 772 N THR A 47 -39.726 2.348 -2.308 1.00 17.34 N +ATOM 773 CA THR A 47 -41.082 2.896 -2.588 1.00 17.66 C +ATOM 774 C THR A 47 -41.687 2.157 -3.796 1.00 17.63 C +ATOM 775 O THR A 47 -41.042 2.047 -4.819 1.00 17.40 O +ATOM 776 CB THR A 47 -40.960 4.384 -2.918 1.00 17.80 C +ATOM 777 OG1 THR A 47 -39.746 4.888 -2.378 1.00 18.08 O +ATOM 778 CG2 THR A 47 -42.141 5.143 -2.316 1.00 17.90 C +ATOM 779 H THR A 47 -39.006 2.468 -2.961 1.00 17.12 H +ATOM 780 HA THR A 47 -41.700 2.771 -1.716 1.00 17.96 H +ATOM 781 HB THR A 47 -40.960 4.517 -3.988 1.00 17.75 H +ATOM 782 HG1 THR A 47 -39.295 5.380 -3.068 1.00 18.26 H +ATOM 783 HG21 THR A 47 -42.964 4.461 -2.158 1.00 18.01 H +ATOM 784 HG22 THR A 47 -41.847 5.577 -1.372 1.00 18.05 H +ATOM 785 HG23 THR A 47 -42.448 5.927 -2.992 1.00 17.85 H +ATOM 786 N PRO A 48 -42.904 1.670 -3.659 1.00 17.97 N +ATOM 787 CA PRO A 48 -43.582 0.948 -4.742 1.00 18.11 C +ATOM 788 C PRO A 48 -43.519 1.770 -6.034 1.00 18.01 C +ATOM 789 O PRO A 48 -42.831 1.411 -6.969 1.00 18.19 O +ATOM 790 CB PRO A 48 -45.027 0.761 -4.286 1.00 18.65 C +ATOM 791 CG PRO A 48 -44.914 0.844 -2.745 1.00 18.85 C +ATOM 792 CD PRO A 48 -43.723 1.781 -2.430 1.00 18.41 C +ATOM 793 HA PRO A 48 -43.119 -0.015 -4.892 1.00 18.06 H +ATOM 794 HB2 PRO A 48 -45.659 1.548 -4.674 1.00 18.84 H +ATOM 795 HB3 PRO A 48 -45.399 -0.209 -4.576 1.00 18.81 H +ATOM 796 HG2 PRO A 48 -45.827 1.249 -2.330 1.00 19.12 H +ATOM 797 HG3 PRO A 48 -44.724 -0.136 -2.335 1.00 19.11 H +ATOM 798 HD2 PRO A 48 -44.065 2.797 -2.280 1.00 18.48 H +ATOM 799 HD3 PRO A 48 -43.170 1.427 -1.575 1.00 18.46 H +ATOM 800 N SER A 49 -44.226 2.873 -6.092 1.00 17.86 N +ATOM 801 CA SER A 49 -44.201 3.717 -7.324 1.00 17.90 C +ATOM 802 C SER A 49 -45.260 4.822 -7.225 1.00 18.00 C +ATOM 803 O SER A 49 -45.895 5.163 -8.202 1.00 18.34 O +ATOM 804 CB SER A 49 -44.501 2.851 -8.549 1.00 18.01 C +ATOM 805 OG SER A 49 -45.453 1.855 -8.197 1.00 17.99 O +ATOM 806 H SER A 49 -44.769 3.145 -5.325 1.00 17.81 H +ATOM 807 HA SER A 49 -43.225 4.165 -7.433 1.00 17.92 H +ATOM 808 HB2 SER A 49 -44.905 3.464 -9.337 1.00 18.24 H +ATOM 809 HB3 SER A 49 -43.586 2.385 -8.892 1.00 18.02 H +ATOM 810 HG SER A 49 -46.234 2.297 -7.859 1.00 18.00 H +ATOM 811 N ALA A 50 -45.456 5.386 -6.060 1.00 17.83 N +ATOM 812 CA ALA A 50 -46.477 6.467 -5.920 1.00 18.03 C +ATOM 813 C ALA A 50 -46.630 6.851 -4.445 1.00 18.13 C +ATOM 814 O ALA A 50 -46.111 7.859 -4.010 1.00 18.24 O +ATOM 815 CB ALA A 50 -47.824 5.975 -6.456 1.00 18.13 C +ATOM 816 H ALA A 50 -44.934 5.102 -5.281 1.00 17.64 H +ATOM 817 HA ALA A 50 -46.161 7.332 -6.484 1.00 18.16 H +ATOM 818 HB1 ALA A 50 -47.862 4.898 -6.400 1.00 18.12 H +ATOM 819 HB2 ALA A 50 -48.622 6.396 -5.863 1.00 18.48 H +ATOM 820 HB3 ALA A 50 -47.937 6.287 -7.484 1.00 17.97 H +ATOM 821 N ILE A 51 -47.342 6.044 -3.685 1.00 18.23 N +ATOM 822 CA ILE A 51 -47.565 6.316 -2.225 1.00 18.48 C +ATOM 823 C ILE A 51 -47.812 7.809 -1.973 1.00 18.45 C +ATOM 824 O ILE A 51 -46.896 8.577 -1.755 1.00 18.55 O +ATOM 825 CB ILE A 51 -46.367 5.824 -1.399 1.00 18.76 C +ATOM 826 CG1 ILE A 51 -46.501 6.333 0.038 1.00 18.87 C +ATOM 827 CG2 ILE A 51 -45.046 6.325 -1.990 1.00 19.14 C +ATOM 828 CD1 ILE A 51 -45.637 5.478 0.966 1.00 19.04 C +ATOM 829 H ILE A 51 -47.738 5.242 -4.081 1.00 18.23 H +ATOM 830 HA ILE A 51 -48.444 5.771 -1.910 1.00 18.61 H +ATOM 831 HB ILE A 51 -46.365 4.744 -1.396 1.00 18.76 H +ATOM 832 HG12 ILE A 51 -46.175 7.362 0.087 1.00 19.14 H +ATOM 833 HG13 ILE A 51 -47.533 6.267 0.348 1.00 18.69 H +ATOM 834 HG21 ILE A 51 -45.074 7.397 -2.093 1.00 19.30 H +ATOM 835 HG22 ILE A 51 -44.235 6.050 -1.332 1.00 19.29 H +ATOM 836 HG23 ILE A 51 -44.889 5.874 -2.958 1.00 19.22 H +ATOM 837 HD11 ILE A 51 -45.045 4.793 0.377 1.00 18.86 H +ATOM 838 HD12 ILE A 51 -44.983 6.118 1.539 1.00 19.21 H +ATOM 839 HD13 ILE A 51 -46.273 4.919 1.636 1.00 19.30 H +ATOM 840 N ASN A 52 -49.048 8.225 -2.003 1.00 18.43 N +ATOM 841 CA ASN A 52 -49.359 9.663 -1.767 1.00 18.53 C +ATOM 842 C ASN A 52 -48.748 10.110 -0.437 1.00 18.30 C +ATOM 843 O ASN A 52 -48.226 9.313 0.317 1.00 18.63 O +ATOM 844 CB ASN A 52 -50.876 9.856 -1.722 1.00 19.07 C +ATOM 845 CG ASN A 52 -51.362 10.399 -3.066 1.00 19.47 C +ATOM 846 OD1 ASN A 52 -52.182 11.295 -3.112 1.00 19.61 O +ATOM 847 ND2 ASN A 52 -50.889 9.891 -4.171 1.00 19.77 N +ATOM 848 H ASN A 52 -49.774 7.590 -2.181 1.00 18.44 H +ATOM 849 HA ASN A 52 -48.945 10.256 -2.569 1.00 18.52 H +ATOM 850 HB2 ASN A 52 -51.353 8.908 -1.521 1.00 19.12 H +ATOM 851 HB3 ASN A 52 -51.126 10.558 -0.940 1.00 19.24 H +ATOM 852 HD21 ASN A 52 -50.229 9.168 -4.135 1.00 19.75 H +ATOM 853 HD22 ASN A 52 -51.195 10.232 -5.038 1.00 20.11 H +ATOM 854 N GLY A 53 -48.811 11.380 -0.143 1.00 17.85 N +ATOM 855 CA GLY A 53 -48.236 11.880 1.138 1.00 17.72 C +ATOM 856 C GLY A 53 -46.748 12.197 0.953 1.00 17.67 C +ATOM 857 O GLY A 53 -45.983 12.189 1.896 1.00 17.89 O +ATOM 858 H GLY A 53 -49.237 12.005 -0.765 1.00 17.68 H +ATOM 859 HA2 GLY A 53 -48.760 12.776 1.441 1.00 17.88 H +ATOM 860 HA3 GLY A 53 -48.346 11.124 1.901 1.00 17.61 H +ATOM 861 N ASN A 54 -46.331 12.477 -0.255 1.00 17.51 N +ATOM 862 CA ASN A 54 -44.894 12.794 -0.496 1.00 17.58 C +ATOM 863 C ASN A 54 -44.690 13.102 -1.981 1.00 17.41 C +ATOM 864 O ASN A 54 -44.100 12.320 -2.701 1.00 17.26 O +ATOM 865 CB ASN A 54 -44.029 11.594 -0.102 1.00 17.76 C +ATOM 866 CG ASN A 54 -42.570 11.871 -0.470 1.00 18.04 C +ATOM 867 OD1 ASN A 54 -41.909 11.035 -1.053 1.00 18.30 O +ATOM 868 ND2 ASN A 54 -42.037 13.020 -0.154 1.00 18.14 N +ATOM 869 H ASN A 54 -46.962 12.481 -1.003 1.00 17.41 H +ATOM 870 HA ASN A 54 -44.610 13.654 0.093 1.00 17.77 H +ATOM 871 HB2 ASN A 54 -44.106 11.428 0.963 1.00 17.90 H +ATOM 872 HB3 ASN A 54 -44.370 10.716 -0.629 1.00 17.70 H +ATOM 873 HD21 ASN A 54 -42.571 13.695 0.316 1.00 18.02 H +ATOM 874 HD22 ASN A 54 -41.104 13.207 -0.386 1.00 18.42 H +ATOM 875 N PRO A 55 -45.193 14.237 -2.390 1.00 17.57 N +ATOM 876 CA PRO A 55 -45.105 14.710 -3.776 1.00 17.60 C +ATOM 877 C PRO A 55 -43.764 15.416 -4.037 1.00 17.45 C +ATOM 878 O PRO A 55 -43.725 16.478 -4.626 1.00 17.47 O +ATOM 879 CB PRO A 55 -46.244 15.708 -3.926 1.00 17.96 C +ATOM 880 CG PRO A 55 -46.429 16.251 -2.483 1.00 18.15 C +ATOM 881 CD PRO A 55 -45.917 15.165 -1.498 1.00 17.91 C +ATOM 882 HA PRO A 55 -45.242 13.893 -4.465 1.00 17.61 H +ATOM 883 HB2 PRO A 55 -45.967 16.501 -4.609 1.00 17.98 H +ATOM 884 HB3 PRO A 55 -47.145 15.215 -4.253 1.00 18.16 H +ATOM 885 HG2 PRO A 55 -45.857 17.160 -2.360 1.00 18.27 H +ATOM 886 HG3 PRO A 55 -47.473 16.445 -2.296 1.00 18.45 H +ATOM 887 HD2 PRO A 55 -45.249 15.599 -0.766 1.00 17.95 H +ATOM 888 HD3 PRO A 55 -46.741 14.661 -1.019 1.00 18.06 H +ATOM 889 N SER A 56 -42.667 14.843 -3.612 1.00 17.42 N +ATOM 890 CA SER A 56 -41.345 15.493 -3.848 1.00 17.40 C +ATOM 891 C SER A 56 -41.373 16.929 -3.317 1.00 17.16 C +ATOM 892 O SER A 56 -41.140 17.875 -4.044 1.00 17.17 O +ATOM 893 CB SER A 56 -41.048 15.507 -5.348 1.00 17.42 C +ATOM 894 OG SER A 56 -39.664 15.257 -5.555 1.00 17.81 O +ATOM 895 H SER A 56 -42.709 13.988 -3.143 1.00 17.50 H +ATOM 896 HA SER A 56 -40.575 14.936 -3.335 1.00 17.67 H +ATOM 897 HB2 SER A 56 -41.624 14.739 -5.836 1.00 17.41 H +ATOM 898 HB3 SER A 56 -41.317 16.471 -5.759 1.00 17.29 H +ATOM 899 HG SER A 56 -39.507 14.321 -5.408 1.00 18.10 H +ATOM 900 N TRP A 57 -41.657 17.103 -2.057 1.00 17.09 N +ATOM 901 CA TRP A 57 -41.699 18.474 -1.488 1.00 17.02 C +ATOM 902 C TRP A 57 -40.356 18.762 -0.804 1.00 17.03 C +ATOM 903 O TRP A 57 -39.574 19.555 -1.290 1.00 17.16 O +ATOM 904 CB TRP A 57 -42.868 18.547 -0.498 1.00 17.09 C +ATOM 905 CG TRP A 57 -42.578 19.502 0.613 1.00 17.24 C +ATOM 906 CD1 TRP A 57 -42.216 19.139 1.861 1.00 17.29 C +ATOM 907 CD2 TRP A 57 -42.650 20.957 0.611 1.00 17.54 C +ATOM 908 NE1 TRP A 57 -42.047 20.278 2.628 1.00 17.59 N +ATOM 909 CE2 TRP A 57 -42.305 21.426 1.902 1.00 17.75 C +ATOM 910 CE3 TRP A 57 -42.972 21.907 -0.375 1.00 17.77 C +ATOM 911 CZ2 TRP A 57 -42.282 22.788 2.203 1.00 18.16 C +ATOM 912 CZ3 TRP A 57 -42.951 23.279 -0.075 1.00 18.19 C +ATOM 913 CH2 TRP A 57 -42.606 23.718 1.212 1.00 18.38 C +ATOM 914 H TRP A 57 -41.843 16.331 -1.480 1.00 17.18 H +ATOM 915 HA TRP A 57 -41.855 19.186 -2.286 1.00 17.06 H +ATOM 916 HB2 TRP A 57 -43.754 18.874 -1.021 1.00 17.23 H +ATOM 917 HB3 TRP A 57 -43.043 17.564 -0.086 1.00 17.05 H +ATOM 918 HD1 TRP A 57 -42.072 18.122 2.198 1.00 17.21 H +ATOM 919 HE1 TRP A 57 -41.780 20.292 3.571 1.00 17.76 H +ATOM 920 HE3 TRP A 57 -43.239 21.579 -1.369 1.00 17.73 H +ATOM 921 HZ2 TRP A 57 -42.017 23.120 3.195 1.00 18.42 H +ATOM 922 HZ3 TRP A 57 -43.201 24.000 -0.839 1.00 18.47 H +ATOM 923 HH2 TRP A 57 -42.592 24.774 1.436 1.00 18.79 H +ATOM 924 N HIS A 58 -40.091 18.108 0.305 1.00 17.02 N +ATOM 925 CA HIS A 58 -38.799 18.300 1.051 1.00 17.13 C +ATOM 926 C HIS A 58 -38.352 19.768 1.044 1.00 17.21 C +ATOM 927 O HIS A 58 -37.172 20.053 1.024 1.00 17.17 O +ATOM 928 CB HIS A 58 -37.711 17.436 0.409 1.00 17.30 C +ATOM 929 CG HIS A 58 -37.357 17.990 -0.944 1.00 17.41 C +ATOM 930 ND1 HIS A 58 -38.030 17.615 -2.095 1.00 17.41 N +ATOM 931 CD2 HIS A 58 -36.401 18.891 -1.345 1.00 17.68 C +ATOM 932 CE1 HIS A 58 -37.475 18.281 -3.125 1.00 17.68 C +ATOM 933 NE2 HIS A 58 -36.478 19.072 -2.723 1.00 17.85 N +ATOM 934 H HIS A 58 -40.750 17.470 0.650 1.00 17.02 H +ATOM 935 HA HIS A 58 -38.936 17.983 2.074 1.00 17.19 H +ATOM 936 HB2 HIS A 58 -36.833 17.437 1.038 1.00 17.27 H +ATOM 937 HB3 HIS A 58 -38.073 16.425 0.299 1.00 17.51 H +ATOM 938 HD1 HIS A 58 -38.775 16.980 -2.150 1.00 17.34 H +ATOM 939 HD2 HIS A 58 -35.696 19.383 -0.691 1.00 17.85 H +ATOM 940 HE1 HIS A 58 -37.798 18.187 -4.151 1.00 17.85 H +ATOM 941 N LEU A 59 -39.290 20.683 1.057 1.00 17.44 N +ATOM 942 CA LEU A 59 -38.961 22.147 1.051 1.00 17.67 C +ATOM 943 C LEU A 59 -38.564 22.592 -0.363 1.00 17.65 C +ATOM 944 O LEU A 59 -39.345 23.205 -1.064 1.00 17.80 O +ATOM 945 CB LEU A 59 -37.822 22.448 2.037 1.00 17.98 C +ATOM 946 CG LEU A 59 -38.234 23.583 2.979 1.00 18.47 C +ATOM 947 CD1 LEU A 59 -38.365 23.042 4.403 1.00 18.83 C +ATOM 948 CD2 LEU A 59 -37.167 24.679 2.949 1.00 18.93 C +ATOM 949 H LEU A 59 -40.225 20.404 1.071 1.00 17.56 H +ATOM 950 HA LEU A 59 -39.840 22.698 1.351 1.00 17.78 H +ATOM 951 HB2 LEU A 59 -37.605 21.563 2.616 1.00 17.88 H +ATOM 952 HB3 LEU A 59 -36.940 22.744 1.490 1.00 18.09 H +ATOM 953 HG LEU A 59 -39.182 23.994 2.662 1.00 18.38 H +ATOM 954 HD11 LEU A 59 -37.643 22.254 4.557 1.00 18.99 H +ATOM 955 HD12 LEU A 59 -38.184 23.839 5.109 1.00 19.01 H +ATOM 956 HD13 LEU A 59 -39.361 22.651 4.550 1.00 18.85 H +ATOM 957 HD21 LEU A 59 -36.658 24.660 1.996 1.00 18.95 H +ATOM 958 HD22 LEU A 59 -37.636 25.642 3.088 1.00 19.44 H +ATOM 959 HD23 LEU A 59 -36.454 24.508 3.741 1.00 18.87 H +ATOM 960 N ALA A 60 -37.364 22.296 -0.792 1.00 17.58 N +ATOM 961 CA ALA A 60 -36.937 22.712 -2.159 1.00 17.68 C +ATOM 962 C ALA A 60 -36.864 24.239 -2.225 1.00 17.51 C +ATOM 963 O ALA A 60 -37.303 24.852 -3.178 1.00 17.56 O +ATOM 964 CB ALA A 60 -37.947 22.203 -3.190 1.00 17.94 C +ATOM 965 H ALA A 60 -36.743 21.805 -0.219 1.00 17.55 H +ATOM 966 HA ALA A 60 -35.964 22.296 -2.373 1.00 17.84 H +ATOM 967 HB1 ALA A 60 -38.330 21.243 -2.876 1.00 18.22 H +ATOM 968 HB2 ALA A 60 -38.763 22.906 -3.274 1.00 17.82 H +ATOM 969 HB3 ALA A 60 -37.461 22.100 -4.150 1.00 18.09 H +ATOM 970 N ASP A 61 -36.310 24.857 -1.218 1.00 17.44 N +ATOM 971 CA ASP A 61 -36.206 26.343 -1.218 1.00 17.39 C +ATOM 972 C ASP A 61 -35.137 26.777 -0.212 1.00 17.27 C +ATOM 973 O ASP A 61 -35.217 27.838 0.374 1.00 17.38 O +ATOM 974 CB ASP A 61 -37.554 26.949 -0.824 1.00 17.85 C +ATOM 975 CG ASP A 61 -37.874 26.585 0.627 1.00 17.99 C +ATOM 976 OD1 ASP A 61 -37.365 27.253 1.512 1.00 18.13 O +ATOM 977 OD2 ASP A 61 -38.623 25.643 0.829 1.00 18.08 O +ATOM 978 H ASP A 61 -35.962 24.342 -0.459 1.00 17.50 H +ATOM 979 HA ASP A 61 -35.932 26.685 -2.205 1.00 17.25 H +ATOM 980 HB2 ASP A 61 -37.509 28.024 -0.924 1.00 17.90 H +ATOM 981 HB3 ASP A 61 -38.327 26.559 -1.469 1.00 18.17 H +ATOM 982 N SER A 62 -34.137 25.963 -0.008 1.00 17.19 N +ATOM 983 CA SER A 62 -33.064 26.327 0.960 1.00 17.23 C +ATOM 984 C SER A 62 -32.316 27.563 0.454 1.00 17.39 C +ATOM 985 O SER A 62 -32.501 27.981 -0.672 1.00 17.47 O +ATOM 986 CB SER A 62 -32.085 25.160 1.096 1.00 17.02 C +ATOM 987 OG SER A 62 -32.078 24.708 2.444 1.00 16.94 O +ATOM 988 H SER A 62 -34.092 25.112 -0.491 1.00 17.19 H +ATOM 989 HA SER A 62 -33.504 26.542 1.922 1.00 17.43 H +ATOM 990 HB2 SER A 62 -32.392 24.353 0.453 1.00 16.96 H +ATOM 991 HB3 SER A 62 -31.094 25.488 0.810 1.00 17.15 H +ATOM 992 HG SER A 62 -31.351 24.090 2.545 1.00 16.89 H +ATOM 993 N PRO A 63 -31.494 28.105 1.315 1.00 17.55 N +ATOM 994 CA PRO A 63 -30.684 29.293 1.027 1.00 17.83 C +ATOM 995 C PRO A 63 -29.385 28.899 0.308 1.00 17.92 C +ATOM 996 O PRO A 63 -28.308 29.279 0.718 1.00 18.21 O +ATOM 997 CB PRO A 63 -30.357 29.890 2.387 1.00 18.07 C +ATOM 998 CG PRO A 63 -30.380 28.655 3.328 1.00 17.93 C +ATOM 999 CD PRO A 63 -31.300 27.583 2.683 1.00 17.60 C +ATOM 1000 HA PRO A 63 -31.245 30.002 0.439 1.00 17.93 H +ATOM 1001 HB2 PRO A 63 -29.377 30.351 2.374 1.00 18.23 H +ATOM 1002 HB3 PRO A 63 -31.112 30.597 2.688 1.00 18.29 H +ATOM 1003 HG2 PRO A 63 -29.379 28.263 3.440 1.00 18.07 H +ATOM 1004 HG3 PRO A 63 -30.774 28.937 4.292 1.00 18.04 H +ATOM 1005 HD2 PRO A 63 -30.807 26.620 2.664 1.00 17.57 H +ATOM 1006 HD3 PRO A 63 -32.244 27.525 3.201 1.00 17.56 H +ATOM 1007 N ALA A 64 -29.477 28.145 -0.755 1.00 17.81 N +ATOM 1008 CA ALA A 64 -28.249 27.730 -1.495 1.00 18.03 C +ATOM 1009 C ALA A 64 -27.304 26.966 -0.553 1.00 17.67 C +ATOM 1010 O ALA A 64 -27.399 25.762 -0.421 1.00 17.43 O +ATOM 1011 CB ALA A 64 -27.550 28.968 -2.068 1.00 18.46 C +ATOM 1012 H ALA A 64 -30.353 27.849 -1.069 1.00 17.66 H +ATOM 1013 HA ALA A 64 -28.534 27.078 -2.308 1.00 18.30 H +ATOM 1014 HB1 ALA A 64 -27.399 29.693 -1.282 1.00 18.54 H +ATOM 1015 HB2 ALA A 64 -26.595 28.682 -2.483 1.00 18.56 H +ATOM 1016 HB3 ALA A 64 -28.164 29.401 -2.843 1.00 18.73 H +ATOM 1017 N VAL A 65 -26.392 27.640 0.104 1.00 17.75 N +ATOM 1018 CA VAL A 65 -25.463 26.924 1.023 1.00 17.54 C +ATOM 1019 C VAL A 65 -26.261 26.279 2.158 1.00 17.47 C +ATOM 1020 O VAL A 65 -27.341 26.719 2.499 1.00 17.53 O +ATOM 1021 CB VAL A 65 -24.458 27.918 1.608 1.00 17.91 C +ATOM 1022 CG1 VAL A 65 -23.668 27.246 2.732 1.00 18.01 C +ATOM 1023 CG2 VAL A 65 -23.494 28.371 0.509 1.00 18.06 C +ATOM 1024 H VAL A 65 -26.316 28.610 -0.003 1.00 18.03 H +ATOM 1025 HA VAL A 65 -24.934 26.159 0.475 1.00 17.34 H +ATOM 1026 HB VAL A 65 -24.986 28.775 2.002 1.00 18.15 H +ATOM 1027 HG11 VAL A 65 -23.320 26.279 2.399 1.00 18.09 H +ATOM 1028 HG12 VAL A 65 -22.821 27.862 2.996 1.00 18.12 H +ATOM 1029 HG13 VAL A 65 -24.306 27.121 3.595 1.00 18.01 H +ATOM 1030 HG21 VAL A 65 -23.404 27.592 -0.235 1.00 18.08 H +ATOM 1031 HG22 VAL A 65 -23.873 29.269 0.045 1.00 18.17 H +ATOM 1032 HG23 VAL A 65 -22.524 28.570 0.940 1.00 18.16 H +ATOM 1033 N ASN A 66 -25.738 25.238 2.746 1.00 17.49 N +ATOM 1034 CA ASN A 66 -26.465 24.565 3.858 1.00 17.57 C +ATOM 1035 C ASN A 66 -27.766 23.959 3.327 1.00 17.44 C +ATOM 1036 O ASN A 66 -28.682 24.663 2.950 1.00 17.62 O +ATOM 1037 CB ASN A 66 -26.789 25.589 4.949 1.00 17.79 C +ATOM 1038 CG ASN A 66 -26.672 24.925 6.322 1.00 17.95 C +ATOM 1039 OD1 ASN A 66 -26.041 25.455 7.215 1.00 18.02 O +ATOM 1040 ND2 ASN A 66 -27.258 23.777 6.530 1.00 18.16 N +ATOM 1041 H ASN A 66 -24.865 24.899 2.456 1.00 17.54 H +ATOM 1042 HA ASN A 66 -25.846 23.783 4.272 1.00 17.72 H +ATOM 1043 HB2 ASN A 66 -26.094 26.414 4.887 1.00 17.83 H +ATOM 1044 HB3 ASN A 66 -27.795 25.955 4.813 1.00 17.95 H +ATOM 1045 HD21 ASN A 66 -27.766 23.349 5.810 1.00 18.20 H +ATOM 1046 HD22 ASN A 66 -27.189 23.344 7.406 1.00 18.36 H +ATOM 1047 N GLY A 67 -27.854 22.657 3.293 1.00 17.29 N +ATOM 1048 CA GLY A 67 -29.095 22.007 2.787 1.00 17.33 C +ATOM 1049 C GLY A 67 -28.834 21.407 1.404 1.00 16.78 C +ATOM 1050 O GLY A 67 -29.045 20.233 1.177 1.00 16.73 O +ATOM 1051 H GLY A 67 -27.104 22.108 3.602 1.00 17.25 H +ATOM 1052 HA2 GLY A 67 -29.395 21.225 3.470 1.00 17.73 H +ATOM 1053 HA3 GLY A 67 -29.882 22.742 2.713 1.00 17.48 H +ATOM 1054 N ALA A 68 -28.375 22.203 0.478 1.00 16.51 N +ATOM 1055 CA ALA A 68 -28.102 21.676 -0.889 1.00 16.11 C +ATOM 1056 C ALA A 68 -26.600 21.744 -1.173 1.00 16.02 C +ATOM 1057 O ALA A 68 -25.902 20.751 -1.116 1.00 16.23 O +ATOM 1058 CB ALA A 68 -28.855 22.519 -1.920 1.00 16.40 C +ATOM 1059 H ALA A 68 -28.211 23.148 0.680 1.00 16.66 H +ATOM 1060 HA ALA A 68 -28.434 20.650 -0.951 1.00 15.85 H +ATOM 1061 HB1 ALA A 68 -28.689 23.567 -1.719 1.00 16.61 H +ATOM 1062 HB2 ALA A 68 -28.495 22.281 -2.910 1.00 16.44 H +ATOM 1063 HB3 ALA A 68 -29.911 22.303 -1.859 1.00 16.49 H +ATOM 1064 N THR A 69 -26.097 22.909 -1.480 1.00 15.86 N +ATOM 1065 CA THR A 69 -24.640 23.040 -1.768 1.00 15.94 C +ATOM 1066 C THR A 69 -23.834 22.475 -0.598 1.00 15.62 C +ATOM 1067 O THR A 69 -22.932 21.681 -0.778 1.00 16.00 O +ATOM 1068 CB THR A 69 -24.289 24.517 -1.961 1.00 16.41 C +ATOM 1069 OG1 THR A 69 -24.404 24.854 -3.337 1.00 16.52 O +ATOM 1070 CG2 THR A 69 -22.855 24.768 -1.491 1.00 16.98 C +ATOM 1071 H THR A 69 -26.677 23.698 -1.521 1.00 15.80 H +ATOM 1072 HA THR A 69 -24.401 22.493 -2.668 1.00 16.06 H +ATOM 1073 HB THR A 69 -24.965 25.128 -1.382 1.00 16.40 H +ATOM 1074 HG1 THR A 69 -23.617 24.539 -3.786 1.00 16.66 H +ATOM 1075 HG21 THR A 69 -22.215 23.975 -1.850 1.00 17.21 H +ATOM 1076 HG22 THR A 69 -22.509 25.714 -1.879 1.00 17.02 H +ATOM 1077 HG23 THR A 69 -22.829 24.789 -0.411 1.00 17.25 H +ATOM 1078 N GLY A 70 -24.151 22.877 0.602 1.00 15.07 N +ATOM 1079 CA GLY A 70 -23.402 22.363 1.783 1.00 14.89 C +ATOM 1080 C GLY A 70 -23.661 20.864 1.943 1.00 14.40 C +ATOM 1081 O GLY A 70 -24.696 20.364 1.556 1.00 14.33 O +ATOM 1082 H GLY A 70 -24.882 23.519 0.727 1.00 14.87 H +ATOM 1083 HA2 GLY A 70 -22.344 22.535 1.640 1.00 15.24 H +ATOM 1084 HA3 GLY A 70 -23.733 22.878 2.672 1.00 14.92 H +ATOM 1085 N HIS A 71 -22.717 20.151 2.511 1.00 14.22 N +ATOM 1086 CA HIS A 71 -22.872 18.672 2.716 1.00 13.93 C +ATOM 1087 C HIS A 71 -22.683 17.902 1.392 1.00 13.52 C +ATOM 1088 O HIS A 71 -22.709 16.686 1.371 1.00 13.80 O +ATOM 1089 CB HIS A 71 -24.255 18.370 3.323 1.00 14.17 C +ATOM 1090 CG HIS A 71 -25.075 17.528 2.381 1.00 14.24 C +ATOM 1091 ND1 HIS A 71 -25.016 16.142 2.390 1.00 13.94 N +ATOM 1092 CD2 HIS A 71 -25.982 17.855 1.402 1.00 14.75 C +ATOM 1093 CE1 HIS A 71 -25.862 15.693 1.446 1.00 14.26 C +ATOM 1094 NE2 HIS A 71 -26.477 16.695 0.813 1.00 14.76 N +ATOM 1095 H HIS A 71 -21.895 20.593 2.808 1.00 14.39 H +ATOM 1096 HA HIS A 71 -22.113 18.344 3.411 1.00 14.03 H +ATOM 1097 HB2 HIS A 71 -24.125 17.836 4.253 1.00 14.38 H +ATOM 1098 HB3 HIS A 71 -24.773 19.297 3.518 1.00 14.26 H +ATOM 1099 HD1 HIS A 71 -24.459 15.591 2.979 1.00 13.66 H +ATOM 1100 HD2 HIS A 71 -26.274 18.859 1.133 1.00 15.18 H +ATOM 1101 HE1 HIS A 71 -26.024 14.648 1.226 1.00 14.25 H +ATOM 1102 N SER A 72 -22.481 18.577 0.288 1.00 13.02 N +ATOM 1103 CA SER A 72 -22.290 17.846 -0.998 1.00 12.76 C +ATOM 1104 C SER A 72 -21.558 18.746 -1.995 1.00 12.33 C +ATOM 1105 O SER A 72 -21.758 18.655 -3.190 1.00 12.60 O +ATOM 1106 CB SER A 72 -23.653 17.457 -1.569 1.00 13.05 C +ATOM 1107 OG SER A 72 -24.624 18.410 -1.158 1.00 13.20 O +ATOM 1108 H SER A 72 -22.448 19.552 0.299 1.00 12.91 H +ATOM 1109 HA SER A 72 -21.706 16.955 -0.822 1.00 12.87 H +ATOM 1110 HB2 SER A 72 -23.605 17.443 -2.645 1.00 13.21 H +ATOM 1111 HB3 SER A 72 -23.925 16.473 -1.211 1.00 13.20 H +ATOM 1112 HG SER A 72 -25.461 17.953 -1.046 1.00 13.40 H +ATOM 1113 N SER A 73 -20.711 19.615 -1.516 1.00 11.84 N +ATOM 1114 CA SER A 73 -19.968 20.519 -2.439 1.00 11.61 C +ATOM 1115 C SER A 73 -19.142 21.515 -1.624 1.00 11.12 C +ATOM 1116 O SER A 73 -17.991 21.769 -1.918 1.00 11.35 O +ATOM 1117 CB SER A 73 -20.964 21.279 -3.316 1.00 11.90 C +ATOM 1118 OG SER A 73 -20.796 22.676 -3.114 1.00 12.21 O +ATOM 1119 H SER A 73 -20.563 19.674 -0.549 1.00 11.76 H +ATOM 1120 HA SER A 73 -19.311 19.933 -3.065 1.00 11.78 H +ATOM 1121 HB2 SER A 73 -20.785 21.047 -4.353 1.00 12.12 H +ATOM 1122 HB3 SER A 73 -21.972 20.986 -3.052 1.00 11.86 H +ATOM 1123 HG SER A 73 -20.006 22.951 -3.585 1.00 12.48 H +ATOM 1124 N SER A 74 -19.720 22.081 -0.600 1.00 10.62 N +ATOM 1125 CA SER A 74 -18.968 23.060 0.233 1.00 10.30 C +ATOM 1126 C SER A 74 -17.789 22.355 0.907 1.00 9.49 C +ATOM 1127 O SER A 74 -17.391 21.279 0.510 1.00 9.35 O +ATOM 1128 CB SER A 74 -19.896 23.637 1.302 1.00 10.72 C +ATOM 1129 OG SER A 74 -19.444 24.935 1.665 1.00 11.42 O +ATOM 1130 H SER A 74 -20.650 21.863 -0.380 1.00 10.59 H +ATOM 1131 HA SER A 74 -18.599 23.859 -0.393 1.00 10.54 H +ATOM 1132 HB2 SER A 74 -20.898 23.707 0.913 1.00 10.87 H +ATOM 1133 HB3 SER A 74 -19.893 22.989 2.168 1.00 10.56 H +ATOM 1134 HG SER A 74 -20.203 25.523 1.670 1.00 11.65 H +ATOM 1135 N LEU A 75 -17.231 22.957 1.925 1.00 9.14 N +ATOM 1136 CA LEU A 75 -16.076 22.332 2.635 1.00 8.53 C +ATOM 1137 C LEU A 75 -14.929 22.092 1.652 1.00 8.00 C +ATOM 1138 O LEU A 75 -14.949 21.167 0.864 1.00 8.26 O +ATOM 1139 CB LEU A 75 -16.502 21.001 3.253 1.00 8.82 C +ATOM 1140 CG LEU A 75 -17.533 21.256 4.354 1.00 9.13 C +ATOM 1141 CD1 LEU A 75 -18.940 21.199 3.759 1.00 9.75 C +ATOM 1142 CD2 LEU A 75 -17.396 20.186 5.439 1.00 9.45 C +ATOM 1143 H LEU A 75 -17.574 23.824 2.224 1.00 9.44 H +ATOM 1144 HA LEU A 75 -15.739 22.996 3.417 1.00 8.54 H +ATOM 1145 HB2 LEU A 75 -16.934 20.371 2.491 1.00 9.33 H +ATOM 1146 HB3 LEU A 75 -15.639 20.512 3.679 1.00 8.55 H +ATOM 1147 HG LEU A 75 -17.365 22.233 4.785 1.00 8.98 H +ATOM 1148 HD11 LEU A 75 -18.875 21.002 2.699 1.00 9.86 H +ATOM 1149 HD12 LEU A 75 -19.502 20.411 4.238 1.00 9.86 H +ATOM 1150 HD13 LEU A 75 -19.437 22.144 3.919 1.00 10.17 H +ATOM 1151 HD21 LEU A 75 -16.379 20.170 5.803 1.00 9.29 H +ATOM 1152 HD22 LEU A 75 -18.066 20.413 6.255 1.00 9.76 H +ATOM 1153 HD23 LEU A 75 -17.646 19.220 5.026 1.00 9.78 H +ATOM 1154 N ASP A 76 -13.925 22.918 1.698 1.00 7.53 N +ATOM 1155 CA ASP A 76 -12.770 22.744 0.773 1.00 7.28 C +ATOM 1156 C ASP A 76 -11.659 21.976 1.491 1.00 6.93 C +ATOM 1157 O ASP A 76 -11.041 22.476 2.410 1.00 6.97 O +ATOM 1158 CB ASP A 76 -12.248 24.117 0.344 1.00 7.58 C +ATOM 1159 CG ASP A 76 -13.397 24.941 -0.239 1.00 7.86 C +ATOM 1160 OD1 ASP A 76 -14.068 25.611 0.528 1.00 8.00 O +ATOM 1161 OD2 ASP A 76 -13.587 24.887 -1.443 1.00 8.20 O +ATOM 1162 H ASP A 76 -13.929 23.653 2.344 1.00 7.53 H +ATOM 1163 HA ASP A 76 -13.086 22.190 -0.099 1.00 7.49 H +ATOM 1164 HB2 ASP A 76 -11.836 24.629 1.202 1.00 8.06 H +ATOM 1165 HB3 ASP A 76 -11.480 23.993 -0.404 1.00 7.45 H +ATOM 1166 N ALA A 77 -11.401 20.764 1.082 1.00 6.88 N +ATOM 1167 CA ALA A 77 -10.331 19.969 1.747 1.00 6.87 C +ATOM 1168 C ALA A 77 -9.433 19.324 0.689 1.00 6.47 C +ATOM 1169 O ALA A 77 -8.224 19.353 0.799 1.00 6.60 O +ATOM 1170 CB ALA A 77 -10.970 18.876 2.607 1.00 7.51 C +ATOM 1171 H ALA A 77 -11.911 20.377 0.341 1.00 7.06 H +ATOM 1172 HA ALA A 77 -9.739 20.618 2.374 1.00 7.02 H +ATOM 1173 HB1 ALA A 77 -12.011 18.769 2.339 1.00 7.87 H +ATOM 1174 HB2 ALA A 77 -10.457 17.940 2.439 1.00 7.90 H +ATOM 1175 HB3 ALA A 77 -10.893 19.147 3.649 1.00 7.49 H +ATOM 1176 N ARG A 78 -10.023 18.739 -0.329 1.00 6.31 N +ATOM 1177 CA ARG A 78 -9.222 18.078 -1.413 1.00 6.20 C +ATOM 1178 C ARG A 78 -8.638 16.737 -0.930 1.00 5.77 C +ATOM 1179 O ARG A 78 -7.930 16.066 -1.655 1.00 5.87 O +ATOM 1180 CB ARG A 78 -8.107 19.028 -1.865 1.00 6.72 C +ATOM 1181 CG ARG A 78 -6.726 18.503 -1.452 1.00 7.31 C +ATOM 1182 CD ARG A 78 -5.685 19.605 -1.663 1.00 8.18 C +ATOM 1183 NE ARG A 78 -5.612 19.949 -3.110 1.00 8.88 N +ATOM 1184 CZ ARG A 78 -6.390 20.875 -3.601 1.00 9.62 C +ATOM 1185 NH1 ARG A 78 -6.391 22.070 -3.078 1.00 10.02 N +ATOM 1186 NH2 ARG A 78 -7.167 20.606 -4.614 1.00 10.18 N +ATOM 1187 H ARG A 78 -11.001 18.733 -0.381 1.00 6.49 H +ATOM 1188 HA ARG A 78 -9.874 17.886 -2.253 1.00 6.38 H +ATOM 1189 HB2 ARG A 78 -8.144 19.126 -2.935 1.00 7.04 H +ATOM 1190 HB3 ARG A 78 -8.268 19.993 -1.410 1.00 6.69 H +ATOM 1191 HG2 ARG A 78 -6.738 18.218 -0.412 1.00 7.43 H +ATOM 1192 HG3 ARG A 78 -6.465 17.651 -2.060 1.00 7.28 H +ATOM 1193 HD2 ARG A 78 -5.969 20.481 -1.098 1.00 8.23 H +ATOM 1194 HD3 ARG A 78 -4.720 19.257 -1.326 1.00 8.52 H +ATOM 1195 HE ARG A 78 -4.981 19.479 -3.694 1.00 8.93 H +ATOM 1196 HH11 ARG A 78 -5.796 22.277 -2.301 1.00 9.77 H +ATOM 1197 HH12 ARG A 78 -6.987 22.780 -3.454 1.00 10.70 H +ATOM 1198 HH21 ARG A 78 -7.167 19.690 -5.015 1.00 10.05 H +ATOM 1199 HH22 ARG A 78 -7.763 21.316 -4.990 1.00 10.85 H +ATOM 1200 N GLU A 79 -8.935 16.342 0.282 1.00 5.60 N +ATOM 1201 CA GLU A 79 -8.411 15.049 0.826 1.00 5.41 C +ATOM 1202 C GLU A 79 -6.909 15.152 1.107 1.00 4.83 C +ATOM 1203 O GLU A 79 -6.224 14.151 1.173 1.00 4.97 O +ATOM 1204 CB GLU A 79 -8.655 13.923 -0.173 1.00 6.04 C +ATOM 1205 CG GLU A 79 -10.037 14.087 -0.809 1.00 6.57 C +ATOM 1206 CD GLU A 79 -10.561 12.718 -1.248 1.00 7.41 C +ATOM 1207 OE1 GLU A 79 -9.749 11.828 -1.440 1.00 7.71 O +ATOM 1208 OE2 GLU A 79 -11.766 12.584 -1.386 1.00 7.96 O +ATOM 1209 H GLU A 79 -9.507 16.895 0.839 1.00 5.82 H +ATOM 1210 HA GLU A 79 -8.925 14.823 1.747 1.00 5.60 H +ATOM 1211 HB2 GLU A 79 -7.896 13.958 -0.941 1.00 6.38 H +ATOM 1212 HB3 GLU A 79 -8.605 12.977 0.340 1.00 6.14 H +ATOM 1213 HG2 GLU A 79 -10.715 14.519 -0.088 1.00 6.55 H +ATOM 1214 HG3 GLU A 79 -9.963 14.735 -1.669 1.00 6.73 H +ATOM 1215 N VAL A 80 -6.414 16.353 1.275 1.00 4.55 N +ATOM 1216 CA VAL A 80 -4.958 16.580 1.562 1.00 4.21 C +ATOM 1217 C VAL A 80 -4.078 15.651 0.711 1.00 3.73 C +ATOM 1218 O VAL A 80 -4.501 15.148 -0.310 1.00 3.85 O +ATOM 1219 CB VAL A 80 -4.693 16.353 3.060 1.00 4.32 C +ATOM 1220 CG1 VAL A 80 -5.691 17.175 3.876 1.00 5.17 C +ATOM 1221 CG2 VAL A 80 -4.855 14.871 3.416 1.00 4.20 C +ATOM 1222 H VAL A 80 -7.011 17.121 1.217 1.00 4.81 H +ATOM 1223 HA VAL A 80 -4.714 17.603 1.318 1.00 4.68 H +ATOM 1224 HB VAL A 80 -3.690 16.676 3.299 1.00 4.36 H +ATOM 1225 HG11 VAL A 80 -5.858 18.125 3.391 1.00 5.51 H +ATOM 1226 HG12 VAL A 80 -6.626 16.638 3.947 1.00 5.57 H +ATOM 1227 HG13 VAL A 80 -5.296 17.341 4.867 1.00 5.34 H +ATOM 1228 HG21 VAL A 80 -4.263 14.267 2.746 1.00 4.43 H +ATOM 1229 HG22 VAL A 80 -4.523 14.709 4.431 1.00 4.33 H +ATOM 1230 HG23 VAL A 80 -5.894 14.593 3.331 1.00 4.32 H +ATOM 1231 N ILE A 81 -2.859 15.422 1.123 1.00 3.61 N +ATOM 1232 CA ILE A 81 -1.956 14.529 0.342 1.00 3.39 C +ATOM 1233 C ILE A 81 -1.872 13.161 1.044 1.00 2.68 C +ATOM 1234 O ILE A 81 -1.185 13.032 2.038 1.00 2.66 O +ATOM 1235 CB ILE A 81 -0.562 15.152 0.290 1.00 4.15 C +ATOM 1236 CG1 ILE A 81 -0.480 16.126 -0.889 1.00 4.99 C +ATOM 1237 CG2 ILE A 81 0.486 14.052 0.114 1.00 4.34 C +ATOM 1238 CD1 ILE A 81 -1.649 17.110 -0.823 1.00 5.48 C +ATOM 1239 H ILE A 81 -2.534 15.837 1.948 1.00 3.95 H +ATOM 1240 HA ILE A 81 -2.334 14.421 -0.661 1.00 3.65 H +ATOM 1241 HB ILE A 81 -0.376 15.682 1.211 1.00 4.45 H +ATOM 1242 HG12 ILE A 81 0.453 16.670 -0.842 1.00 5.37 H +ATOM 1243 HG13 ILE A 81 -0.528 15.574 -1.815 1.00 5.27 H +ATOM 1244 HG21 ILE A 81 0.083 13.266 -0.507 1.00 4.44 H +ATOM 1245 HG22 ILE A 81 1.367 14.465 -0.355 1.00 4.60 H +ATOM 1246 HG23 ILE A 81 0.749 13.647 1.080 1.00 4.58 H +ATOM 1247 HD11 ILE A 81 -1.768 17.461 0.191 1.00 5.59 H +ATOM 1248 HD12 ILE A 81 -1.450 17.949 -1.474 1.00 5.83 H +ATOM 1249 HD13 ILE A 81 -2.555 16.615 -1.142 1.00 5.75 H +ATOM 1250 N PRO A 82 -2.570 12.178 0.519 1.00 2.74 N +ATOM 1251 CA PRO A 82 -2.583 10.826 1.092 1.00 2.67 C +ATOM 1252 C PRO A 82 -1.246 10.118 0.846 1.00 2.13 C +ATOM 1253 O PRO A 82 -0.885 9.214 1.570 1.00 2.56 O +ATOM 1254 CB PRO A 82 -3.715 10.086 0.388 1.00 3.61 C +ATOM 1255 CG PRO A 82 -3.845 10.846 -0.953 1.00 4.05 C +ATOM 1256 CD PRO A 82 -3.413 12.309 -0.690 1.00 3.58 C +ATOM 1257 HA PRO A 82 -2.787 10.874 2.150 1.00 2.89 H +ATOM 1258 HB2 PRO A 82 -3.447 9.049 0.223 1.00 3.76 H +ATOM 1259 HB3 PRO A 82 -4.632 10.163 0.948 1.00 4.16 H +ATOM 1260 HG2 PRO A 82 -3.200 10.396 -1.695 1.00 4.41 H +ATOM 1261 HG3 PRO A 82 -4.869 10.826 -1.292 1.00 4.66 H +ATOM 1262 HD2 PRO A 82 -2.840 12.694 -1.523 1.00 3.95 H +ATOM 1263 HD3 PRO A 82 -4.266 12.935 -0.485 1.00 3.83 H +ATOM 1264 N MET A 83 -0.517 10.521 -0.167 1.00 1.72 N +ATOM 1265 CA MET A 83 0.801 9.875 -0.469 1.00 1.36 C +ATOM 1266 C MET A 83 1.280 10.355 -1.844 1.00 1.19 C +ATOM 1267 O MET A 83 2.111 11.235 -1.947 1.00 1.97 O +ATOM 1268 CB MET A 83 0.639 8.346 -0.489 1.00 1.68 C +ATOM 1269 CG MET A 83 1.281 7.683 0.749 1.00 1.71 C +ATOM 1270 SD MET A 83 1.596 8.891 2.066 1.00 1.73 S +ATOM 1271 CE MET A 83 2.883 7.958 2.930 1.00 0.57 C +ATOM 1272 H MET A 83 -0.836 11.253 -0.734 1.00 2.09 H +ATOM 1273 HA MET A 83 1.525 10.164 0.272 1.00 1.52 H +ATOM 1274 HB2 MET A 83 -0.413 8.104 -0.510 1.00 2.27 H +ATOM 1275 HB3 MET A 83 1.107 7.954 -1.380 1.00 1.98 H +ATOM 1276 HG2 MET A 83 0.614 6.922 1.125 1.00 2.22 H +ATOM 1277 HG3 MET A 83 2.211 7.220 0.459 1.00 2.28 H +ATOM 1278 HE1 MET A 83 3.018 7.001 2.446 1.00 1.05 H +ATOM 1279 HE2 MET A 83 3.809 8.515 2.904 1.00 1.08 H +ATOM 1280 HE3 MET A 83 2.589 7.802 3.955 1.00 1.16 H +ATOM 1281 N ALA A 84 0.757 9.790 -2.899 1.00 0.88 N +ATOM 1282 CA ALA A 84 1.170 10.213 -4.271 1.00 0.89 C +ATOM 1283 C ALA A 84 2.690 10.057 -4.454 1.00 1.01 C +ATOM 1284 O ALA A 84 3.161 9.016 -4.866 1.00 1.95 O +ATOM 1285 CB ALA A 84 0.762 11.671 -4.492 1.00 1.00 C +ATOM 1286 H ALA A 84 0.084 9.086 -2.792 1.00 1.37 H +ATOM 1287 HA ALA A 84 0.665 9.593 -4.996 1.00 1.13 H +ATOM 1288 HB1 ALA A 84 1.079 12.264 -3.647 1.00 1.39 H +ATOM 1289 HB2 ALA A 84 1.231 12.043 -5.390 1.00 1.54 H +ATOM 1290 HB3 ALA A 84 -0.311 11.732 -4.592 1.00 1.45 H +ATOM 1291 N ALA A 85 3.465 11.075 -4.161 1.00 0.62 N +ATOM 1292 CA ALA A 85 4.943 10.961 -4.333 1.00 0.62 C +ATOM 1293 C ALA A 85 5.460 9.744 -3.566 1.00 0.54 C +ATOM 1294 O ALA A 85 6.456 9.148 -3.927 1.00 0.62 O +ATOM 1295 CB ALA A 85 5.619 12.222 -3.792 1.00 0.69 C +ATOM 1296 H ALA A 85 3.080 11.913 -3.834 1.00 1.17 H +ATOM 1297 HA ALA A 85 5.176 10.850 -5.382 1.00 0.73 H +ATOM 1298 HB1 ALA A 85 5.370 12.344 -2.748 1.00 1.25 H +ATOM 1299 HB2 ALA A 85 6.690 12.129 -3.898 1.00 1.28 H +ATOM 1300 HB3 ALA A 85 5.276 13.081 -4.348 1.00 1.08 H +ATOM 1301 N VAL A 86 4.794 9.370 -2.511 1.00 0.56 N +ATOM 1302 CA VAL A 86 5.249 8.195 -1.723 1.00 0.51 C +ATOM 1303 C VAL A 86 4.976 6.912 -2.511 1.00 0.53 C +ATOM 1304 O VAL A 86 5.776 5.999 -2.524 1.00 0.53 O +ATOM 1305 CB VAL A 86 4.488 8.153 -0.402 1.00 0.53 C +ATOM 1306 CG1 VAL A 86 4.646 6.770 0.232 1.00 0.63 C +ATOM 1307 CG2 VAL A 86 5.053 9.213 0.544 1.00 0.59 C +ATOM 1308 H VAL A 86 3.995 9.864 -2.235 1.00 0.70 H +ATOM 1309 HA VAL A 86 6.308 8.279 -1.527 1.00 0.51 H +ATOM 1310 HB VAL A 86 3.441 8.353 -0.587 1.00 0.52 H +ATOM 1311 HG11 VAL A 86 5.574 6.326 -0.098 1.00 1.07 H +ATOM 1312 HG12 VAL A 86 4.655 6.865 1.307 1.00 1.19 H +ATOM 1313 HG13 VAL A 86 3.820 6.140 -0.067 1.00 1.14 H +ATOM 1314 HG21 VAL A 86 5.378 10.070 -0.028 1.00 1.16 H +ATOM 1315 HG22 VAL A 86 4.288 9.516 1.243 1.00 1.11 H +ATOM 1316 HG23 VAL A 86 5.893 8.802 1.085 1.00 1.27 H +ATOM 1317 N LYS A 87 3.852 6.835 -3.169 1.00 0.60 N +ATOM 1318 CA LYS A 87 3.531 5.610 -3.955 1.00 0.64 C +ATOM 1319 C LYS A 87 4.556 5.446 -5.079 1.00 0.58 C +ATOM 1320 O LYS A 87 5.315 4.497 -5.110 1.00 0.58 O +ATOM 1321 CB LYS A 87 2.131 5.742 -4.558 1.00 0.79 C +ATOM 1322 CG LYS A 87 1.082 5.454 -3.482 1.00 1.15 C +ATOM 1323 CD LYS A 87 -0.307 5.409 -4.122 1.00 1.30 C +ATOM 1324 CE LYS A 87 -0.656 6.788 -4.684 1.00 1.90 C +ATOM 1325 NZ LYS A 87 -1.996 6.735 -5.333 1.00 2.63 N +ATOM 1326 H LYS A 87 3.219 7.582 -3.146 1.00 0.66 H +ATOM 1327 HA LYS A 87 3.565 4.746 -3.308 1.00 0.65 H +ATOM 1328 HB2 LYS A 87 1.996 6.746 -4.934 1.00 1.45 H +ATOM 1329 HB3 LYS A 87 2.019 5.036 -5.366 1.00 1.46 H +ATOM 1330 HG2 LYS A 87 1.297 4.503 -3.017 1.00 1.82 H +ATOM 1331 HG3 LYS A 87 1.108 6.234 -2.736 1.00 1.87 H +ATOM 1332 HD2 LYS A 87 -0.311 4.682 -4.921 1.00 1.76 H +ATOM 1333 HD3 LYS A 87 -1.037 5.130 -3.378 1.00 1.51 H +ATOM 1334 HE2 LYS A 87 -0.673 7.510 -3.881 1.00 2.33 H +ATOM 1335 HE3 LYS A 87 0.086 7.078 -5.413 1.00 2.23 H +ATOM 1336 HZ1 LYS A 87 -2.043 5.913 -5.967 1.00 3.16 H +ATOM 1337 HZ2 LYS A 87 -2.732 6.653 -4.601 1.00 3.05 H +ATOM 1338 HZ3 LYS A 87 -2.150 7.604 -5.883 1.00 2.85 H +ATOM 1339 N GLN A 88 4.585 6.368 -6.004 1.00 0.58 N +ATOM 1340 CA GLN A 88 5.562 6.267 -7.123 1.00 0.55 C +ATOM 1341 C GLN A 88 6.975 6.134 -6.552 1.00 0.48 C +ATOM 1342 O GLN A 88 7.846 5.540 -7.155 1.00 0.53 O +ATOM 1343 CB GLN A 88 5.477 7.525 -7.990 1.00 0.63 C +ATOM 1344 CG GLN A 88 4.223 7.459 -8.864 1.00 1.10 C +ATOM 1345 CD GLN A 88 4.349 8.459 -10.014 1.00 1.29 C +ATOM 1346 OE1 GLN A 88 3.539 9.354 -10.148 1.00 1.76 O +ATOM 1347 NE2 GLN A 88 5.340 8.344 -10.857 1.00 1.99 N +ATOM 1348 H GLN A 88 3.966 7.126 -5.960 1.00 0.64 H +ATOM 1349 HA GLN A 88 5.334 5.399 -7.724 1.00 0.56 H +ATOM 1350 HB2 GLN A 88 5.429 8.397 -7.354 1.00 0.99 H +ATOM 1351 HB3 GLN A 88 6.351 7.587 -8.621 1.00 1.02 H +ATOM 1352 HG2 GLN A 88 4.116 6.461 -9.263 1.00 1.69 H +ATOM 1353 HG3 GLN A 88 3.356 7.705 -8.269 1.00 1.74 H +ATOM 1354 HE21 GLN A 88 5.993 7.622 -10.749 1.00 2.52 H +ATOM 1355 HE22 GLN A 88 5.429 8.980 -11.597 1.00 2.36 H +ATOM 1356 N ALA A 89 7.210 6.682 -5.390 1.00 0.41 N +ATOM 1357 CA ALA A 89 8.566 6.585 -4.782 1.00 0.39 C +ATOM 1358 C ALA A 89 8.904 5.113 -4.540 1.00 0.37 C +ATOM 1359 O ALA A 89 9.993 4.663 -4.828 1.00 0.47 O +ATOM 1360 CB ALA A 89 8.584 7.340 -3.452 1.00 0.38 C +ATOM 1361 H ALA A 89 6.495 7.157 -4.918 1.00 0.41 H +ATOM 1362 HA ALA A 89 9.293 7.017 -5.453 1.00 0.43 H +ATOM 1363 HB1 ALA A 89 7.724 7.055 -2.864 1.00 1.11 H +ATOM 1364 HB2 ALA A 89 9.486 7.094 -2.911 1.00 1.02 H +ATOM 1365 HB3 ALA A 89 8.555 8.402 -3.641 1.00 1.08 H +ATOM 1366 N LEU A 90 7.977 4.363 -4.012 1.00 0.33 N +ATOM 1367 CA LEU A 90 8.233 2.922 -3.749 1.00 0.34 C +ATOM 1368 C LEU A 90 8.355 2.181 -5.082 1.00 0.42 C +ATOM 1369 O LEU A 90 9.074 1.209 -5.199 1.00 0.49 O +ATOM 1370 CB LEU A 90 7.061 2.343 -2.952 1.00 0.34 C +ATOM 1371 CG LEU A 90 7.269 2.581 -1.452 1.00 0.30 C +ATOM 1372 CD1 LEU A 90 7.964 3.923 -1.215 1.00 0.29 C +ATOM 1373 CD2 LEU A 90 5.911 2.591 -0.749 1.00 0.32 C +ATOM 1374 H LEU A 90 7.107 4.747 -3.786 1.00 0.36 H +ATOM 1375 HA LEU A 90 9.148 2.809 -3.187 1.00 0.34 H +ATOM 1376 HB2 LEU A 90 6.145 2.822 -3.266 1.00 0.36 H +ATOM 1377 HB3 LEU A 90 6.991 1.282 -3.138 1.00 0.38 H +ATOM 1378 HG LEU A 90 7.875 1.790 -1.047 1.00 0.32 H +ATOM 1379 HD11 LEU A 90 7.456 4.696 -1.769 1.00 1.02 H +ATOM 1380 HD12 LEU A 90 7.934 4.157 -0.163 1.00 1.06 H +ATOM 1381 HD13 LEU A 90 8.992 3.861 -1.539 1.00 0.96 H +ATOM 1382 HD21 LEU A 90 5.137 2.334 -1.456 1.00 1.03 H +ATOM 1383 HD22 LEU A 90 5.918 1.871 0.056 1.00 1.01 H +ATOM 1384 HD23 LEU A 90 5.721 3.576 -0.349 1.00 1.03 H +ATOM 1385 N ARG A 91 7.655 2.632 -6.087 1.00 0.46 N +ATOM 1386 CA ARG A 91 7.728 1.953 -7.414 1.00 0.55 C +ATOM 1387 C ARG A 91 9.171 1.977 -7.927 1.00 0.54 C +ATOM 1388 O ARG A 91 9.765 0.948 -8.182 1.00 0.66 O +ATOM 1389 CB ARG A 91 6.822 2.681 -8.409 1.00 0.61 C +ATOM 1390 CG ARG A 91 6.825 1.935 -9.745 1.00 0.86 C +ATOM 1391 CD ARG A 91 6.988 2.937 -10.889 1.00 1.36 C +ATOM 1392 NE ARG A 91 7.395 2.215 -12.128 1.00 1.77 N +ATOM 1393 CZ ARG A 91 6.832 2.508 -13.268 1.00 2.37 C +ATOM 1394 NH1 ARG A 91 5.531 2.569 -13.357 1.00 3.06 N +ATOM 1395 NH2 ARG A 91 7.569 2.738 -14.320 1.00 2.89 N +ATOM 1396 H ARG A 91 7.079 3.418 -5.970 1.00 0.47 H +ATOM 1397 HA ARG A 91 7.400 0.930 -7.312 1.00 0.61 H +ATOM 1398 HB2 ARG A 91 5.815 2.718 -8.018 1.00 0.76 H +ATOM 1399 HB3 ARG A 91 7.186 3.686 -8.560 1.00 0.72 H +ATOM 1400 HG2 ARG A 91 7.644 1.231 -9.762 1.00 1.22 H +ATOM 1401 HG3 ARG A 91 5.892 1.405 -9.863 1.00 1.41 H +ATOM 1402 HD2 ARG A 91 6.049 3.444 -11.060 1.00 1.85 H +ATOM 1403 HD3 ARG A 91 7.745 3.661 -10.628 1.00 1.94 H +ATOM 1404 HE ARG A 91 8.086 1.521 -12.086 1.00 2.16 H +ATOM 1405 HH11 ARG A 91 4.966 2.393 -12.551 1.00 3.26 H +ATOM 1406 HH12 ARG A 91 5.100 2.793 -14.231 1.00 3.68 H +ATOM 1407 HH21 ARG A 91 8.566 2.691 -14.252 1.00 3.01 H +ATOM 1408 HH22 ARG A 91 7.138 2.962 -15.194 1.00 3.52 H +ATOM 1409 N GLU A 92 9.738 3.142 -8.082 1.00 0.46 N +ATOM 1410 CA GLU A 92 11.141 3.230 -8.580 1.00 0.48 C +ATOM 1411 C GLU A 92 12.090 2.596 -7.560 1.00 0.43 C +ATOM 1412 O GLU A 92 13.132 2.075 -7.906 1.00 0.46 O +ATOM 1413 CB GLU A 92 11.518 4.699 -8.782 1.00 0.51 C +ATOM 1414 CG GLU A 92 11.313 5.084 -10.248 1.00 1.21 C +ATOM 1415 CD GLU A 92 12.656 5.476 -10.866 1.00 1.80 C +ATOM 1416 OE1 GLU A 92 13.318 6.332 -10.301 1.00 2.32 O +ATOM 1417 OE2 GLU A 92 13.001 4.914 -11.892 1.00 2.51 O +ATOM 1418 H GLU A 92 9.241 3.960 -7.872 1.00 0.45 H +ATOM 1419 HA GLU A 92 11.222 2.706 -9.521 1.00 0.57 H +ATOM 1420 HB2 GLU A 92 10.894 5.320 -8.155 1.00 0.97 H +ATOM 1421 HB3 GLU A 92 12.554 4.845 -8.515 1.00 0.79 H +ATOM 1422 HG2 GLU A 92 10.900 4.242 -10.786 1.00 1.85 H +ATOM 1423 HG3 GLU A 92 10.633 5.920 -10.309 1.00 1.75 H +ATOM 1424 N ALA A 93 11.736 2.634 -6.304 1.00 0.41 N +ATOM 1425 CA ALA A 93 12.615 2.033 -5.262 1.00 0.39 C +ATOM 1426 C ALA A 93 12.671 0.517 -5.460 1.00 0.51 C +ATOM 1427 O ALA A 93 13.643 -0.127 -5.116 1.00 0.58 O +ATOM 1428 CB ALA A 93 12.055 2.358 -3.874 1.00 0.34 C +ATOM 1429 H ALA A 93 10.893 3.056 -6.047 1.00 0.45 H +ATOM 1430 HA ALA A 93 13.611 2.441 -5.352 1.00 0.40 H +ATOM 1431 HB1 ALA A 93 10.979 2.272 -3.891 1.00 1.03 H +ATOM 1432 HB2 ALA A 93 12.461 1.667 -3.151 1.00 1.03 H +ATOM 1433 HB3 ALA A 93 12.331 3.367 -3.602 1.00 1.02 H +ATOM 1434 N GLY A 94 11.640 -0.061 -6.015 1.00 0.58 N +ATOM 1435 CA GLY A 94 11.643 -1.533 -6.237 1.00 0.73 C +ATOM 1436 C GLY A 94 12.661 -1.871 -7.326 1.00 0.83 C +ATOM 1437 O GLY A 94 13.303 -2.902 -7.293 1.00 0.97 O +ATOM 1438 H GLY A 94 10.867 0.473 -6.289 1.00 0.55 H +ATOM 1439 HA2 GLY A 94 11.911 -2.036 -5.319 1.00 0.72 H +ATOM 1440 HA3 GLY A 94 10.662 -1.854 -6.553 1.00 0.81 H +ATOM 1441 N ASP A 95 12.817 -1.004 -8.291 1.00 0.82 N +ATOM 1442 CA ASP A 95 13.797 -1.270 -9.381 1.00 0.97 C +ATOM 1443 C ASP A 95 15.211 -1.140 -8.824 1.00 0.94 C +ATOM 1444 O ASP A 95 16.121 -1.812 -9.261 1.00 1.10 O +ATOM 1445 CB ASP A 95 13.594 -0.259 -10.512 1.00 1.05 C +ATOM 1446 CG ASP A 95 12.364 -0.650 -11.334 1.00 1.40 C +ATOM 1447 OD1 ASP A 95 11.301 -0.776 -10.750 1.00 1.97 O +ATOM 1448 OD2 ASP A 95 12.507 -0.817 -12.534 1.00 1.89 O +ATOM 1449 H ASP A 95 12.291 -0.177 -8.296 1.00 0.74 H +ATOM 1450 HA ASP A 95 13.655 -2.271 -9.759 1.00 1.09 H +ATOM 1451 HB2 ASP A 95 13.448 0.726 -10.092 1.00 1.08 H +ATOM 1452 HB3 ASP A 95 14.464 -0.253 -11.150 1.00 1.23 H +ATOM 1453 N GLU A 96 15.402 -0.286 -7.854 1.00 0.85 N +ATOM 1454 CA GLU A 96 16.761 -0.122 -7.265 1.00 0.92 C +ATOM 1455 C GLU A 96 17.040 -1.247 -6.257 1.00 0.96 C +ATOM 1456 O GLU A 96 18.089 -1.288 -5.645 1.00 1.24 O +ATOM 1457 CB GLU A 96 16.852 1.231 -6.558 1.00 0.97 C +ATOM 1458 CG GLU A 96 16.402 2.338 -7.514 1.00 1.37 C +ATOM 1459 CD GLU A 96 17.548 3.330 -7.723 1.00 1.95 C +ATOM 1460 OE1 GLU A 96 18.540 2.942 -8.318 1.00 2.63 O +ATOM 1461 OE2 GLU A 96 17.414 4.461 -7.285 1.00 2.33 O +ATOM 1462 H GLU A 96 14.651 0.242 -7.511 1.00 0.85 H +ATOM 1463 HA GLU A 96 17.500 -0.167 -8.055 1.00 1.01 H +ATOM 1464 HB2 GLU A 96 16.214 1.225 -5.686 1.00 1.29 H +ATOM 1465 HB3 GLU A 96 17.873 1.412 -6.256 1.00 1.30 H +ATOM 1466 HG2 GLU A 96 16.124 1.902 -8.463 1.00 1.64 H +ATOM 1467 HG3 GLU A 96 15.554 2.855 -7.092 1.00 1.76 H +ATOM 1468 N PHE A 97 16.125 -2.167 -6.079 1.00 0.82 N +ATOM 1469 CA PHE A 97 16.366 -3.279 -5.120 1.00 0.90 C +ATOM 1470 C PHE A 97 16.469 -4.607 -5.888 1.00 1.30 C +ATOM 1471 O PHE A 97 16.975 -5.587 -5.377 1.00 1.62 O +ATOM 1472 CB PHE A 97 15.206 -3.355 -4.125 1.00 0.71 C +ATOM 1473 CG PHE A 97 15.753 -3.471 -2.722 1.00 0.63 C +ATOM 1474 CD1 PHE A 97 16.666 -4.485 -2.408 1.00 1.20 C +ATOM 1475 CD2 PHE A 97 15.348 -2.564 -1.736 1.00 1.58 C +ATOM 1476 CE1 PHE A 97 17.173 -4.593 -1.107 1.00 1.25 C +ATOM 1477 CE2 PHE A 97 15.856 -2.671 -0.435 1.00 1.88 C +ATOM 1478 CZ PHE A 97 16.768 -3.686 -0.121 1.00 1.26 C +ATOM 1479 H PHE A 97 15.286 -2.135 -6.575 1.00 0.79 H +ATOM 1480 HA PHE A 97 17.288 -3.100 -4.586 1.00 1.04 H +ATOM 1481 HB2 PHE A 97 14.605 -2.461 -4.204 1.00 0.76 H +ATOM 1482 HB3 PHE A 97 14.598 -4.219 -4.346 1.00 0.98 H +ATOM 1483 HD1 PHE A 97 16.978 -5.185 -3.169 1.00 2.07 H +ATOM 1484 HD2 PHE A 97 14.645 -1.782 -1.978 1.00 2.36 H +ATOM 1485 HE1 PHE A 97 17.877 -5.375 -0.865 1.00 1.97 H +ATOM 1486 HE2 PHE A 97 15.543 -1.971 0.326 1.00 2.84 H +ATOM 1487 HZ PHE A 97 17.159 -3.768 0.882 1.00 1.58 H +ATOM 1488 N GLU A 98 15.989 -4.655 -7.109 1.00 1.51 N +ATOM 1489 CA GLU A 98 16.060 -5.924 -7.891 1.00 2.00 C +ATOM 1490 C GLU A 98 17.228 -5.879 -8.885 1.00 2.02 C +ATOM 1491 O GLU A 98 17.118 -6.351 -10.000 1.00 2.44 O +ATOM 1492 CB GLU A 98 14.751 -6.118 -8.658 1.00 2.39 C +ATOM 1493 CG GLU A 98 13.756 -6.883 -7.783 1.00 3.10 C +ATOM 1494 CD GLU A 98 12.715 -7.568 -8.671 1.00 3.44 C +ATOM 1495 OE1 GLU A 98 13.060 -7.927 -9.785 1.00 3.75 O +ATOM 1496 OE2 GLU A 98 11.591 -7.721 -8.223 1.00 3.86 O +ATOM 1497 H GLU A 98 15.579 -3.862 -7.510 1.00 1.46 H +ATOM 1498 HA GLU A 98 16.201 -6.752 -7.213 1.00 2.18 H +ATOM 1499 HB2 GLU A 98 14.338 -5.154 -8.915 1.00 2.43 H +ATOM 1500 HB3 GLU A 98 14.942 -6.681 -9.559 1.00 2.52 H +ATOM 1501 HG2 GLU A 98 14.284 -7.629 -7.206 1.00 3.47 H +ATOM 1502 HG3 GLU A 98 13.260 -6.195 -7.116 1.00 3.49 H +ATOM 1503 N LEU A 99 18.347 -5.331 -8.496 1.00 1.74 N +ATOM 1504 CA LEU A 99 19.512 -5.279 -9.430 1.00 1.91 C +ATOM 1505 C LEU A 99 20.729 -5.884 -8.727 1.00 1.86 C +ATOM 1506 O LEU A 99 21.467 -6.662 -9.298 1.00 2.24 O +ATOM 1507 CB LEU A 99 19.835 -3.833 -9.848 1.00 2.05 C +ATOM 1508 CG LEU A 99 18.836 -2.846 -9.250 1.00 1.73 C +ATOM 1509 CD1 LEU A 99 19.187 -2.593 -7.788 1.00 1.57 C +ATOM 1510 CD2 LEU A 99 18.925 -1.528 -10.026 1.00 2.21 C +ATOM 1511 H LEU A 99 18.423 -4.965 -7.593 1.00 1.57 H +ATOM 1512 HA LEU A 99 19.286 -5.863 -10.310 1.00 2.17 H +ATOM 1513 HB2 LEU A 99 20.828 -3.579 -9.509 1.00 2.33 H +ATOM 1514 HB3 LEU A 99 19.798 -3.756 -10.922 1.00 2.48 H +ATOM 1515 HG LEU A 99 17.836 -3.243 -9.326 1.00 2.05 H +ATOM 1516 HD11 LEU A 99 20.164 -2.997 -7.577 1.00 1.77 H +ATOM 1517 HD12 LEU A 99 19.186 -1.530 -7.598 1.00 1.88 H +ATOM 1518 HD13 LEU A 99 18.455 -3.071 -7.155 1.00 2.12 H +ATOM 1519 HD21 LEU A 99 18.942 -1.735 -11.086 1.00 2.66 H +ATOM 1520 HD22 LEU A 99 18.072 -0.911 -9.795 1.00 2.62 H +ATOM 1521 HD23 LEU A 99 19.830 -1.007 -9.748 1.00 2.52 H +ATOM 1522 N ARG A 100 20.940 -5.534 -7.488 1.00 1.90 N +ATOM 1523 CA ARG A 100 22.101 -6.087 -6.738 1.00 2.16 C +ATOM 1524 C ARG A 100 21.585 -6.802 -5.488 1.00 1.86 C +ATOM 1525 O ARG A 100 20.401 -7.024 -5.354 1.00 2.30 O +ATOM 1526 CB ARG A 100 23.036 -4.947 -6.327 1.00 2.38 C +ATOM 1527 CG ARG A 100 23.473 -4.169 -7.569 1.00 3.09 C +ATOM 1528 CD ARG A 100 23.647 -2.691 -7.211 1.00 4.07 C +ATOM 1529 NE ARG A 100 24.693 -2.555 -6.159 1.00 4.52 N +ATOM 1530 CZ ARG A 100 25.264 -1.399 -5.952 1.00 5.16 C +ATOM 1531 NH1 ARG A 100 26.320 -1.061 -6.639 1.00 5.35 N +ATOM 1532 NH2 ARG A 100 24.778 -0.583 -5.058 1.00 5.88 N +ATOM 1533 H ARG A 100 20.329 -4.908 -7.047 1.00 2.11 H +ATOM 1534 HA ARG A 100 22.635 -6.788 -7.363 1.00 2.67 H +ATOM 1535 HB2 ARG A 100 22.519 -4.284 -5.649 1.00 2.37 H +ATOM 1536 HB3 ARG A 100 23.907 -5.355 -5.836 1.00 2.45 H +ATOM 1537 HG2 ARG A 100 24.410 -4.565 -7.931 1.00 3.29 H +ATOM 1538 HG3 ARG A 100 22.720 -4.264 -8.337 1.00 3.24 H +ATOM 1539 HD2 ARG A 100 23.947 -2.141 -8.091 1.00 4.40 H +ATOM 1540 HD3 ARG A 100 22.711 -2.298 -6.842 1.00 4.48 H +ATOM 1541 HE ARG A 100 24.953 -3.333 -5.623 1.00 4.55 H +ATOM 1542 HH11 ARG A 100 26.693 -1.686 -7.324 1.00 5.05 H +ATOM 1543 HH12 ARG A 100 26.757 -0.175 -6.481 1.00 5.99 H +ATOM 1544 HH21 ARG A 100 23.968 -0.842 -4.531 1.00 5.98 H +ATOM 1545 HH22 ARG A 100 25.215 0.303 -4.900 1.00 6.49 H +ATOM 1546 N TYR A 101 22.472 -7.154 -4.585 1.00 1.68 N +ATOM 1547 CA TYR A 101 22.078 -7.860 -3.318 1.00 1.44 C +ATOM 1548 C TYR A 101 21.853 -9.355 -3.585 1.00 1.60 C +ATOM 1549 O TYR A 101 22.652 -10.173 -3.181 1.00 2.22 O +ATOM 1550 CB TYR A 101 20.812 -7.236 -2.712 1.00 1.75 C +ATOM 1551 CG TYR A 101 20.907 -5.731 -2.779 1.00 2.93 C +ATOM 1552 CD1 TYR A 101 21.942 -5.065 -2.111 1.00 3.58 C +ATOM 1553 CD2 TYR A 101 19.960 -5.001 -3.507 1.00 3.82 C +ATOM 1554 CE1 TYR A 101 22.030 -3.669 -2.172 1.00 4.79 C +ATOM 1555 CE2 TYR A 101 20.047 -3.605 -3.567 1.00 5.04 C +ATOM 1556 CZ TYR A 101 21.083 -2.939 -2.900 1.00 5.43 C +ATOM 1557 OH TYR A 101 21.169 -1.563 -2.959 1.00 6.70 O +ATOM 1558 H TYR A 101 23.418 -6.950 -4.741 1.00 2.09 H +ATOM 1559 HA TYR A 101 22.886 -7.760 -2.607 1.00 1.58 H +ATOM 1560 HB2 TYR A 101 19.943 -7.568 -3.258 1.00 1.82 H +ATOM 1561 HB3 TYR A 101 20.723 -7.542 -1.680 1.00 1.78 H +ATOM 1562 HD1 TYR A 101 22.672 -5.628 -1.550 1.00 3.45 H +ATOM 1563 HD2 TYR A 101 19.161 -5.514 -4.022 1.00 3.81 H +ATOM 1564 HE1 TYR A 101 22.828 -3.156 -1.657 1.00 5.41 H +ATOM 1565 HE2 TYR A 101 19.317 -3.041 -4.129 1.00 5.84 H +ATOM 1566 HH TYR A 101 20.655 -1.265 -3.712 1.00 7.14 H +ATOM 1567 N ARG A 102 20.774 -9.709 -4.252 1.00 1.83 N +ATOM 1568 CA ARG A 102 20.469 -11.147 -4.554 1.00 2.52 C +ATOM 1569 C ARG A 102 19.876 -11.818 -3.307 1.00 2.37 C +ATOM 1570 O ARG A 102 18.686 -12.051 -3.233 1.00 3.19 O +ATOM 1571 CB ARG A 102 21.728 -11.893 -5.022 1.00 3.30 C +ATOM 1572 CG ARG A 102 22.513 -11.011 -5.995 1.00 3.91 C +ATOM 1573 CD ARG A 102 23.329 -11.895 -6.941 1.00 4.82 C +ATOM 1574 NE ARG A 102 24.501 -12.454 -6.210 1.00 5.38 N +ATOM 1575 CZ ARG A 102 25.401 -11.653 -5.709 1.00 6.01 C +ATOM 1576 NH1 ARG A 102 26.321 -11.141 -6.480 1.00 6.67 N +ATOM 1577 NH2 ARG A 102 25.381 -11.363 -4.436 1.00 6.28 N +ATOM 1578 H ARG A 102 20.153 -9.023 -4.556 1.00 2.00 H +ATOM 1579 HA ARG A 102 19.730 -11.181 -5.343 1.00 2.99 H +ATOM 1580 HB2 ARG A 102 22.348 -12.135 -4.174 1.00 3.59 H +ATOM 1581 HB3 ARG A 102 21.438 -12.804 -5.524 1.00 3.69 H +ATOM 1582 HG2 ARG A 102 21.825 -10.408 -6.570 1.00 4.31 H +ATOM 1583 HG3 ARG A 102 23.181 -10.369 -5.442 1.00 3.83 H +ATOM 1584 HD2 ARG A 102 22.711 -12.704 -7.301 1.00 4.98 H +ATOM 1585 HD3 ARG A 102 23.674 -11.306 -7.777 1.00 5.30 H +ATOM 1586 HE ARG A 102 24.596 -13.424 -6.105 1.00 5.51 H +ATOM 1587 HH11 ARG A 102 26.337 -11.364 -7.455 1.00 6.74 H +ATOM 1588 HH12 ARG A 102 27.010 -10.527 -6.096 1.00 7.28 H +ATOM 1589 HH21 ARG A 102 24.676 -11.755 -3.845 1.00 6.05 H +ATOM 1590 HH22 ARG A 102 26.070 -10.748 -4.052 1.00 6.91 H +ATOM 1591 N ARG A 103 20.680 -12.129 -2.325 1.00 1.75 N +ATOM 1592 CA ARG A 103 20.138 -12.775 -1.099 1.00 2.01 C +ATOM 1593 C ARG A 103 19.206 -11.783 -0.388 1.00 1.69 C +ATOM 1594 O ARG A 103 18.645 -10.911 -1.019 1.00 2.39 O +ATOM 1595 CB ARG A 103 21.302 -13.159 -0.181 1.00 2.64 C +ATOM 1596 CG ARG A 103 22.376 -13.885 -0.995 1.00 3.40 C +ATOM 1597 CD ARG A 103 23.047 -14.947 -0.122 1.00 4.19 C +ATOM 1598 NE ARG A 103 22.936 -16.277 -0.785 1.00 4.65 N +ATOM 1599 CZ ARG A 103 23.831 -16.648 -1.660 1.00 5.41 C +ATOM 1600 NH1 ARG A 103 24.898 -17.290 -1.270 1.00 5.84 N +ATOM 1601 NH2 ARG A 103 23.659 -16.376 -2.925 1.00 6.06 N +ATOM 1602 H ARG A 103 21.634 -11.936 -2.389 1.00 1.64 H +ATOM 1603 HA ARG A 103 19.583 -13.660 -1.372 1.00 2.36 H +ATOM 1604 HB2 ARG A 103 21.724 -12.267 0.259 1.00 2.92 H +ATOM 1605 HB3 ARG A 103 20.944 -13.812 0.601 1.00 2.87 H +ATOM 1606 HG2 ARG A 103 21.919 -14.358 -1.852 1.00 3.67 H +ATOM 1607 HG3 ARG A 103 23.117 -13.174 -1.328 1.00 3.61 H +ATOM 1608 HD2 ARG A 103 24.090 -14.697 0.011 1.00 4.61 H +ATOM 1609 HD3 ARG A 103 22.560 -14.982 0.841 1.00 4.40 H +ATOM 1610 HE ARG A 103 22.191 -16.874 -0.563 1.00 4.67 H +ATOM 1611 HH11 ARG A 103 25.030 -17.499 -0.301 1.00 5.64 H +ATOM 1612 HH12 ARG A 103 25.584 -17.574 -1.941 1.00 6.56 H +ATOM 1613 HH21 ARG A 103 22.841 -15.884 -3.224 1.00 6.05 H +ATOM 1614 HH22 ARG A 103 24.344 -16.660 -3.595 1.00 6.73 H +ATOM 1615 N ALA A 104 19.043 -11.915 0.913 1.00 1.11 N +ATOM 1616 CA ALA A 104 18.153 -10.992 1.692 1.00 0.93 C +ATOM 1617 C ALA A 104 16.685 -11.407 1.530 1.00 0.80 C +ATOM 1618 O ALA A 104 16.096 -11.949 2.441 1.00 1.38 O +ATOM 1619 CB ALA A 104 18.346 -9.539 1.242 1.00 0.91 C +ATOM 1620 H ALA A 104 19.511 -12.632 1.387 1.00 1.41 H +ATOM 1621 HA ALA A 104 18.415 -11.068 2.738 1.00 1.16 H +ATOM 1622 HB1 ALA A 104 19.393 -9.361 1.048 1.00 1.31 H +ATOM 1623 HB2 ALA A 104 17.778 -9.359 0.344 1.00 1.30 H +ATOM 1624 HB3 ALA A 104 18.007 -8.875 2.023 1.00 1.45 H +ATOM 1625 N PHE A 105 16.080 -11.167 0.395 1.00 0.75 N +ATOM 1626 CA PHE A 105 14.653 -11.569 0.228 1.00 0.57 C +ATOM 1627 C PHE A 105 14.562 -13.091 0.102 1.00 0.57 C +ATOM 1628 O PHE A 105 13.552 -13.685 0.411 1.00 0.57 O +ATOM 1629 CB PHE A 105 14.063 -10.916 -1.025 1.00 0.57 C +ATOM 1630 CG PHE A 105 14.021 -9.419 -0.848 1.00 0.52 C +ATOM 1631 CD1 PHE A 105 13.538 -8.866 0.345 1.00 1.20 C +ATOM 1632 CD2 PHE A 105 14.464 -8.582 -1.878 1.00 1.33 C +ATOM 1633 CE1 PHE A 105 13.500 -7.478 0.506 1.00 1.19 C +ATOM 1634 CE2 PHE A 105 14.425 -7.193 -1.716 1.00 1.34 C +ATOM 1635 CZ PHE A 105 13.942 -6.642 -0.524 1.00 0.53 C +ATOM 1636 H PHE A 105 16.556 -10.730 -0.338 1.00 1.28 H +ATOM 1637 HA PHE A 105 14.092 -11.253 1.094 1.00 0.62 H +ATOM 1638 HB2 PHE A 105 14.673 -11.158 -1.880 1.00 0.67 H +ATOM 1639 HB3 PHE A 105 13.061 -11.286 -1.184 1.00 0.63 H +ATOM 1640 HD1 PHE A 105 13.194 -9.509 1.140 1.00 2.05 H +ATOM 1641 HD2 PHE A 105 14.836 -9.008 -2.798 1.00 2.18 H +ATOM 1642 HE1 PHE A 105 13.128 -7.052 1.426 1.00 2.03 H +ATOM 1643 HE2 PHE A 105 14.767 -6.547 -2.511 1.00 2.20 H +ATOM 1644 HZ PHE A 105 13.912 -5.570 -0.399 1.00 0.56 H +ATOM 1645 N SER A 106 15.609 -13.730 -0.346 1.00 0.69 N +ATOM 1646 CA SER A 106 15.569 -15.212 -0.480 1.00 0.76 C +ATOM 1647 C SER A 106 15.651 -15.846 0.912 1.00 0.73 C +ATOM 1648 O SER A 106 15.169 -16.939 1.136 1.00 1.00 O +ATOM 1649 CB SER A 106 16.753 -15.680 -1.326 1.00 0.89 C +ATOM 1650 OG SER A 106 16.555 -17.036 -1.702 1.00 1.68 O +ATOM 1651 H SER A 106 16.420 -13.238 -0.591 1.00 0.79 H +ATOM 1652 HA SER A 106 14.645 -15.506 -0.957 1.00 0.77 H +ATOM 1653 HB2 SER A 106 16.827 -15.073 -2.213 1.00 1.08 H +ATOM 1654 HB3 SER A 106 17.665 -15.584 -0.750 1.00 1.37 H +ATOM 1655 HG SER A 106 16.684 -17.103 -2.651 1.00 2.10 H +ATOM 1656 N ASP A 107 16.259 -15.168 1.850 1.00 0.67 N +ATOM 1657 CA ASP A 107 16.374 -15.727 3.226 1.00 0.66 C +ATOM 1658 C ASP A 107 15.079 -15.465 3.999 1.00 0.60 C +ATOM 1659 O ASP A 107 14.587 -16.318 4.710 1.00 0.62 O +ATOM 1660 CB ASP A 107 17.543 -15.052 3.947 1.00 0.69 C +ATOM 1661 CG ASP A 107 18.073 -15.979 5.043 1.00 0.75 C +ATOM 1662 OD1 ASP A 107 18.147 -17.171 4.799 1.00 1.34 O +ATOM 1663 OD2 ASP A 107 18.395 -15.480 6.109 1.00 1.32 O +ATOM 1664 H ASP A 107 16.641 -14.289 1.650 1.00 0.84 H +ATOM 1665 HA ASP A 107 16.549 -16.792 3.170 1.00 0.72 H +ATOM 1666 HB2 ASP A 107 18.331 -14.843 3.237 1.00 0.75 H +ATOM 1667 HB3 ASP A 107 17.206 -14.127 4.391 1.00 0.64 H +ATOM 1668 N LEU A 108 14.522 -14.292 3.864 1.00 0.56 N +ATOM 1669 CA LEU A 108 13.258 -13.980 4.590 1.00 0.54 C +ATOM 1670 C LEU A 108 12.170 -14.936 4.109 1.00 0.53 C +ATOM 1671 O LEU A 108 11.487 -15.566 4.892 1.00 0.61 O +ATOM 1672 CB LEU A 108 12.833 -12.541 4.291 1.00 0.56 C +ATOM 1673 CG LEU A 108 13.947 -11.575 4.698 1.00 0.69 C +ATOM 1674 CD1 LEU A 108 13.684 -10.205 4.072 1.00 0.78 C +ATOM 1675 CD2 LEU A 108 13.975 -11.442 6.222 1.00 1.15 C +ATOM 1676 H LEU A 108 14.932 -13.621 3.286 1.00 0.59 H +ATOM 1677 HA LEU A 108 13.408 -14.103 5.652 1.00 0.55 H +ATOM 1678 HB2 LEU A 108 12.636 -12.437 3.234 1.00 0.59 H +ATOM 1679 HB3 LEU A 108 11.938 -12.308 4.847 1.00 0.65 H +ATOM 1680 HG LEU A 108 14.898 -11.953 4.350 1.00 0.94 H +ATOM 1681 HD11 LEU A 108 13.501 -10.321 3.014 1.00 1.39 H +ATOM 1682 HD12 LEU A 108 12.820 -9.756 4.539 1.00 1.16 H +ATOM 1683 HD13 LEU A 108 14.545 -9.570 4.221 1.00 1.42 H +ATOM 1684 HD21 LEU A 108 14.103 -12.417 6.666 1.00 1.59 H +ATOM 1685 HD22 LEU A 108 14.796 -10.803 6.512 1.00 1.75 H +ATOM 1686 HD23 LEU A 108 13.045 -11.010 6.562 1.00 1.57 H +ATOM 1687 N THR A 109 12.011 -15.049 2.821 1.00 0.54 N +ATOM 1688 CA THR A 109 10.977 -15.964 2.272 1.00 0.57 C +ATOM 1689 C THR A 109 11.324 -17.402 2.669 1.00 0.57 C +ATOM 1690 O THR A 109 10.460 -18.244 2.808 1.00 0.58 O +ATOM 1691 CB THR A 109 10.945 -15.841 0.744 1.00 0.68 C +ATOM 1692 OG1 THR A 109 12.147 -16.373 0.204 1.00 0.80 O +ATOM 1693 CG2 THR A 109 10.811 -14.367 0.341 1.00 0.62 C +ATOM 1694 H THR A 109 12.578 -14.533 2.214 1.00 0.59 H +ATOM 1695 HA THR A 109 10.010 -15.701 2.677 1.00 0.55 H +ATOM 1696 HB THR A 109 10.102 -16.393 0.357 1.00 0.79 H +ATOM 1697 HG1 THR A 109 11.926 -16.852 -0.598 1.00 1.21 H +ATOM 1698 HG21 THR A 109 10.999 -13.736 1.197 1.00 1.19 H +ATOM 1699 HG22 THR A 109 11.526 -14.139 -0.437 1.00 1.15 H +ATOM 1700 HG23 THR A 109 9.812 -14.183 -0.027 1.00 1.24 H +ATOM 1701 N SER A 110 12.587 -17.689 2.856 1.00 0.61 N +ATOM 1702 CA SER A 110 12.989 -19.069 3.249 1.00 0.65 C +ATOM 1703 C SER A 110 12.536 -19.340 4.687 1.00 0.55 C +ATOM 1704 O SER A 110 12.250 -20.461 5.058 1.00 0.58 O +ATOM 1705 CB SER A 110 14.510 -19.201 3.162 1.00 0.79 C +ATOM 1706 OG SER A 110 14.880 -20.550 3.413 1.00 1.44 O +ATOM 1707 H SER A 110 13.270 -16.997 2.742 1.00 0.62 H +ATOM 1708 HA SER A 110 12.528 -19.782 2.583 1.00 0.72 H +ATOM 1709 HB2 SER A 110 14.842 -18.920 2.176 1.00 0.98 H +ATOM 1710 HB3 SER A 110 14.969 -18.548 3.893 1.00 1.03 H +ATOM 1711 HG SER A 110 15.737 -20.704 3.009 1.00 1.88 H +ATOM 1712 N GLN A 111 12.468 -18.318 5.497 1.00 0.55 N +ATOM 1713 CA GLN A 111 12.034 -18.504 6.910 1.00 0.52 C +ATOM 1714 C GLN A 111 10.549 -18.161 7.029 1.00 0.59 C +ATOM 1715 O GLN A 111 10.116 -17.565 7.995 1.00 1.04 O +ATOM 1716 CB GLN A 111 12.842 -17.570 7.815 1.00 0.53 C +ATOM 1717 CG GLN A 111 14.318 -17.968 7.774 1.00 0.71 C +ATOM 1718 CD GLN A 111 15.186 -16.709 7.714 1.00 0.92 C +ATOM 1719 OE1 GLN A 111 14.784 -15.705 7.161 1.00 1.33 O +ATOM 1720 NE2 GLN A 111 16.370 -16.721 8.263 1.00 1.43 N +ATOM 1721 H GLN A 111 12.702 -17.424 5.174 1.00 0.65 H +ATOM 1722 HA GLN A 111 12.196 -19.529 7.208 1.00 0.59 H +ATOM 1723 HB2 GLN A 111 12.733 -16.553 7.468 1.00 0.54 H +ATOM 1724 HB3 GLN A 111 12.478 -17.645 8.829 1.00 0.59 H +ATOM 1725 HG2 GLN A 111 14.563 -18.533 8.661 1.00 0.83 H +ATOM 1726 HG3 GLN A 111 14.504 -18.573 6.899 1.00 0.77 H +ATOM 1727 HE21 GLN A 111 16.695 -17.531 8.709 1.00 1.93 H +ATOM 1728 HE22 GLN A 111 16.934 -15.920 8.230 1.00 1.60 H +ATOM 1729 N LEU A 112 9.764 -18.527 6.053 1.00 0.59 N +ATOM 1730 CA LEU A 112 8.310 -18.213 6.115 1.00 0.69 C +ATOM 1731 C LEU A 112 7.525 -19.209 5.257 1.00 0.71 C +ATOM 1732 O LEU A 112 6.722 -19.972 5.757 1.00 1.06 O +ATOM 1733 CB LEU A 112 8.090 -16.787 5.597 1.00 0.95 C +ATOM 1734 CG LEU A 112 6.656 -16.618 5.086 1.00 0.61 C +ATOM 1735 CD1 LEU A 112 5.665 -17.061 6.164 1.00 0.65 C +ATOM 1736 CD2 LEU A 112 6.414 -15.146 4.756 1.00 1.09 C +ATOM 1737 H LEU A 112 10.132 -19.003 5.280 1.00 0.88 H +ATOM 1738 HA LEU A 112 7.972 -18.277 7.139 1.00 0.83 H +ATOM 1739 HB2 LEU A 112 8.269 -16.085 6.398 1.00 1.51 H +ATOM 1740 HB3 LEU A 112 8.780 -16.590 4.790 1.00 1.58 H +ATOM 1741 HG LEU A 112 6.515 -17.214 4.197 1.00 1.24 H +ATOM 1742 HD11 LEU A 112 6.112 -16.932 7.138 1.00 1.26 H +ATOM 1743 HD12 LEU A 112 4.769 -16.462 6.096 1.00 1.37 H +ATOM 1744 HD13 LEU A 112 5.415 -18.101 6.016 1.00 1.08 H +ATOM 1745 HD21 LEU A 112 7.158 -14.538 5.250 1.00 1.56 H +ATOM 1746 HD22 LEU A 112 6.480 -15.000 3.688 1.00 1.54 H +ATOM 1747 HD23 LEU A 112 5.431 -14.859 5.098 1.00 1.75 H +ATOM 1748 N HIS A 113 7.744 -19.207 3.971 1.00 0.67 N +ATOM 1749 CA HIS A 113 7.001 -20.152 3.089 1.00 0.75 C +ATOM 1750 C HIS A 113 5.516 -19.791 3.120 1.00 0.62 C +ATOM 1751 O HIS A 113 4.710 -20.479 3.716 1.00 0.90 O +ATOM 1752 CB HIS A 113 7.193 -21.585 3.591 1.00 0.98 C +ATOM 1753 CG HIS A 113 7.125 -22.537 2.428 1.00 1.27 C +ATOM 1754 ND1 HIS A 113 7.676 -23.808 2.480 1.00 2.16 N +ATOM 1755 CD2 HIS A 113 6.574 -22.418 1.176 1.00 1.61 C +ATOM 1756 CE1 HIS A 113 7.447 -24.398 1.293 1.00 2.39 C +ATOM 1757 NE2 HIS A 113 6.779 -23.595 0.461 1.00 2.06 N +ATOM 1758 H HIS A 113 8.391 -18.582 3.585 1.00 0.84 H +ATOM 1759 HA HIS A 113 7.372 -20.069 2.078 1.00 0.90 H +ATOM 1760 HB2 HIS A 113 8.156 -21.672 4.072 1.00 1.17 H +ATOM 1761 HB3 HIS A 113 6.414 -21.826 4.299 1.00 1.24 H +ATOM 1762 HD1 HIS A 113 8.146 -24.205 3.243 1.00 2.79 H +ATOM 1763 HD2 HIS A 113 6.060 -21.545 0.803 1.00 2.11 H +ATOM 1764 HE1 HIS A 113 7.764 -25.400 1.042 1.00 3.12 H +ATOM 1765 N ILE A 114 5.149 -18.712 2.486 1.00 0.71 N +ATOM 1766 CA ILE A 114 3.718 -18.296 2.479 1.00 0.59 C +ATOM 1767 C ILE A 114 2.861 -19.404 1.863 1.00 0.69 C +ATOM 1768 O ILE A 114 3.215 -19.991 0.860 1.00 1.28 O +ATOM 1769 CB ILE A 114 3.558 -17.018 1.652 1.00 0.64 C +ATOM 1770 CG1 ILE A 114 4.538 -15.945 2.154 1.00 0.78 C +ATOM 1771 CG2 ILE A 114 2.117 -16.515 1.771 1.00 0.57 C +ATOM 1772 CD1 ILE A 114 3.799 -14.896 2.988 1.00 1.04 C +ATOM 1773 H ILE A 114 5.818 -18.172 2.016 1.00 1.08 H +ATOM 1774 HA ILE A 114 3.393 -18.110 3.492 1.00 0.55 H +ATOM 1775 HB ILE A 114 3.771 -17.240 0.617 1.00 0.81 H +ATOM 1776 HG12 ILE A 114 5.300 -16.408 2.761 1.00 1.32 H +ATOM 1777 HG13 ILE A 114 5.000 -15.462 1.307 1.00 1.09 H +ATOM 1778 HG21 ILE A 114 1.847 -16.432 2.813 1.00 1.09 H +ATOM 1779 HG22 ILE A 114 2.032 -15.549 1.297 1.00 1.06 H +ATOM 1780 HG23 ILE A 114 1.453 -17.212 1.283 1.00 1.28 H +ATOM 1781 HD11 ILE A 114 3.224 -15.387 3.758 1.00 1.64 H +ATOM 1782 HD12 ILE A 114 4.515 -14.231 3.444 1.00 1.63 H +ATOM 1783 HD13 ILE A 114 3.141 -14.326 2.353 1.00 1.48 H +ATOM 1784 N THR A 115 1.735 -19.691 2.458 1.00 0.59 N +ATOM 1785 CA THR A 115 0.847 -20.758 1.913 1.00 0.61 C +ATOM 1786 C THR A 115 -0.389 -20.886 2.804 1.00 0.54 C +ATOM 1787 O THR A 115 -0.435 -20.331 3.881 1.00 0.54 O +ATOM 1788 CB THR A 115 1.597 -22.094 1.889 1.00 0.72 C +ATOM 1789 OG1 THR A 115 2.751 -22.004 2.714 1.00 1.19 O +ATOM 1790 CG2 THR A 115 2.017 -22.423 0.455 1.00 1.00 C +ATOM 1791 H THR A 115 1.470 -19.202 3.265 1.00 0.97 H +ATOM 1792 HA THR A 115 0.542 -20.496 0.910 1.00 0.72 H +ATOM 1793 HB THR A 115 0.952 -22.875 2.258 1.00 1.07 H +ATOM 1794 HG1 THR A 115 2.636 -22.607 3.452 1.00 1.41 H +ATOM 1795 HG21 THR A 115 1.889 -21.549 -0.167 1.00 1.59 H +ATOM 1796 HG22 THR A 115 3.053 -22.725 0.444 1.00 1.49 H +ATOM 1797 HG23 THR A 115 1.403 -23.227 0.076 1.00 1.51 H +ATOM 1798 N PRO A 116 -1.356 -21.618 2.323 1.00 0.62 N +ATOM 1799 CA PRO A 116 -2.616 -21.855 3.039 1.00 0.72 C +ATOM 1800 C PRO A 116 -2.327 -22.378 4.451 1.00 0.78 C +ATOM 1801 O PRO A 116 -2.054 -23.546 4.644 1.00 1.55 O +ATOM 1802 CB PRO A 116 -3.362 -22.911 2.228 1.00 0.82 C +ATOM 1803 CG PRO A 116 -2.751 -22.756 0.814 1.00 0.86 C +ATOM 1804 CD PRO A 116 -1.290 -22.285 1.006 1.00 0.75 C +ATOM 1805 HA PRO A 116 -3.199 -20.948 3.085 1.00 0.81 H +ATOM 1806 HB2 PRO A 116 -3.173 -23.900 2.628 1.00 0.82 H +ATOM 1807 HB3 PRO A 116 -4.418 -22.700 2.200 1.00 0.98 H +ATOM 1808 HG2 PRO A 116 -2.772 -23.707 0.297 1.00 0.94 H +ATOM 1809 HG3 PRO A 116 -3.301 -22.017 0.252 1.00 1.02 H +ATOM 1810 HD2 PRO A 116 -0.614 -23.130 1.029 1.00 0.79 H +ATOM 1811 HD3 PRO A 116 -1.007 -21.580 0.240 1.00 0.84 H +ATOM 1812 N GLY A 117 -2.385 -21.526 5.439 1.00 0.84 N +ATOM 1813 CA GLY A 117 -2.113 -21.984 6.833 1.00 0.82 C +ATOM 1814 C GLY A 117 -1.257 -20.944 7.559 1.00 0.79 C +ATOM 1815 O GLY A 117 -1.526 -20.585 8.689 1.00 1.40 O +ATOM 1816 H GLY A 117 -2.608 -20.588 5.265 1.00 1.45 H +ATOM 1817 HA2 GLY A 117 -3.049 -22.111 7.358 1.00 0.92 H +ATOM 1818 HA3 GLY A 117 -1.584 -22.924 6.806 1.00 0.84 H +ATOM 1819 N THR A 118 -0.227 -20.460 6.917 1.00 0.67 N +ATOM 1820 CA THR A 118 0.655 -19.442 7.559 1.00 0.56 C +ATOM 1821 C THR A 118 -0.192 -18.284 8.090 1.00 0.53 C +ATOM 1822 O THR A 118 -1.386 -18.224 7.875 1.00 0.71 O +ATOM 1823 CB THR A 118 1.649 -18.900 6.527 1.00 0.50 C +ATOM 1824 OG1 THR A 118 1.991 -19.930 5.610 1.00 0.51 O +ATOM 1825 CG2 THR A 118 2.911 -18.410 7.238 1.00 0.58 C +ATOM 1826 H THR A 118 -0.034 -20.768 6.010 1.00 1.15 H +ATOM 1827 HA THR A 118 1.197 -19.897 8.376 1.00 0.58 H +ATOM 1828 HB THR A 118 1.199 -18.075 5.994 1.00 0.59 H +ATOM 1829 HG1 THR A 118 2.488 -20.598 6.086 1.00 0.94 H +ATOM 1830 HG21 THR A 118 2.839 -18.631 8.292 1.00 1.20 H +ATOM 1831 HG22 THR A 118 3.774 -18.910 6.823 1.00 1.22 H +ATOM 1832 HG23 THR A 118 3.011 -17.344 7.099 1.00 1.03 H +ATOM 1833 N ALA A 119 0.418 -17.361 8.782 1.00 0.40 N +ATOM 1834 CA ALA A 119 -0.352 -16.209 9.324 1.00 0.39 C +ATOM 1835 C ALA A 119 0.617 -15.098 9.739 1.00 0.34 C +ATOM 1836 O ALA A 119 1.747 -15.050 9.293 1.00 0.35 O +ATOM 1837 CB ALA A 119 -1.167 -16.669 10.533 1.00 0.48 C +ATOM 1838 H ALA A 119 1.382 -17.426 8.945 1.00 0.43 H +ATOM 1839 HA ALA A 119 -1.021 -15.836 8.563 1.00 0.41 H +ATOM 1840 HB1 ALA A 119 -1.378 -17.725 10.444 1.00 1.13 H +ATOM 1841 HB2 ALA A 119 -0.605 -16.488 11.436 1.00 1.13 H +ATOM 1842 HB3 ALA A 119 -2.096 -16.119 10.570 1.00 1.01 H +ATOM 1843 N TYR A 120 0.186 -14.202 10.585 1.00 0.39 N +ATOM 1844 CA TYR A 120 1.083 -13.092 11.023 1.00 0.44 C +ATOM 1845 C TYR A 120 2.082 -13.585 12.085 1.00 0.43 C +ATOM 1846 O TYR A 120 2.911 -12.831 12.554 1.00 0.44 O +ATOM 1847 CB TYR A 120 0.229 -11.968 11.614 1.00 0.61 C +ATOM 1848 CG TYR A 120 1.116 -10.827 12.047 1.00 0.65 C +ATOM 1849 CD1 TYR A 120 2.067 -10.305 11.163 1.00 1.56 C +ATOM 1850 CD2 TYR A 120 0.987 -10.290 13.334 1.00 1.58 C +ATOM 1851 CE1 TYR A 120 2.889 -9.245 11.565 1.00 2.14 C +ATOM 1852 CE2 TYR A 120 1.809 -9.231 13.736 1.00 2.20 C +ATOM 1853 CZ TYR A 120 2.760 -8.708 12.852 1.00 2.22 C +ATOM 1854 OH TYR A 120 3.570 -7.664 13.249 1.00 3.04 O +ATOM 1855 H TYR A 120 -0.729 -14.255 10.931 1.00 0.45 H +ATOM 1856 HA TYR A 120 1.626 -12.714 10.171 1.00 0.45 H +ATOM 1857 HB2 TYR A 120 -0.469 -11.618 10.868 1.00 1.02 H +ATOM 1858 HB3 TYR A 120 -0.316 -12.343 12.468 1.00 1.23 H +ATOM 1859 HD1 TYR A 120 2.167 -10.719 10.171 1.00 2.25 H +ATOM 1860 HD2 TYR A 120 0.254 -10.693 14.016 1.00 2.25 H +ATOM 1861 HE1 TYR A 120 3.623 -8.842 10.883 1.00 2.96 H +ATOM 1862 HE2 TYR A 120 1.710 -8.817 14.729 1.00 3.06 H +ATOM 1863 HH TYR A 120 3.621 -7.676 14.207 1.00 3.23 H +ATOM 1864 N GLN A 121 2.018 -14.832 12.475 1.00 0.46 N +ATOM 1865 CA GLN A 121 2.972 -15.334 13.506 1.00 0.51 C +ATOM 1866 C GLN A 121 4.397 -15.352 12.944 1.00 0.46 C +ATOM 1867 O GLN A 121 5.205 -14.497 13.247 1.00 0.47 O +ATOM 1868 CB GLN A 121 2.571 -16.752 13.920 1.00 0.58 C +ATOM 1869 CG GLN A 121 1.439 -16.683 14.947 1.00 0.87 C +ATOM 1870 CD GLN A 121 1.951 -17.171 16.304 1.00 1.68 C +ATOM 1871 OE1 GLN A 121 2.834 -16.571 16.884 1.00 2.38 O +ATOM 1872 NE2 GLN A 121 1.429 -18.242 16.837 1.00 2.34 N +ATOM 1873 H GLN A 121 1.349 -15.437 12.098 1.00 0.49 H +ATOM 1874 HA GLN A 121 2.937 -14.687 14.370 1.00 0.56 H +ATOM 1875 HB2 GLN A 121 2.237 -17.299 13.050 1.00 0.80 H +ATOM 1876 HB3 GLN A 121 3.421 -17.253 14.357 1.00 0.79 H +ATOM 1877 HG2 GLN A 121 1.096 -15.663 15.036 1.00 1.07 H +ATOM 1878 HG3 GLN A 121 0.623 -17.312 14.625 1.00 1.41 H +ATOM 1879 HE21 GLN A 121 0.717 -18.726 16.369 1.00 2.53 H +ATOM 1880 HE22 GLN A 121 1.750 -18.562 17.706 1.00 2.99 H +ATOM 1881 N SER A 122 4.712 -16.324 12.132 1.00 0.47 N +ATOM 1882 CA SER A 122 6.086 -16.407 11.555 1.00 0.46 C +ATOM 1883 C SER A 122 6.426 -15.116 10.803 1.00 0.40 C +ATOM 1884 O SER A 122 7.536 -14.624 10.870 1.00 0.38 O +ATOM 1885 CB SER A 122 6.157 -17.588 10.588 1.00 0.53 C +ATOM 1886 OG SER A 122 6.740 -18.703 11.251 1.00 1.27 O +ATOM 1887 H SER A 122 4.046 -17.006 11.905 1.00 0.52 H +ATOM 1888 HA SER A 122 6.800 -16.555 12.352 1.00 0.48 H +ATOM 1889 HB2 SER A 122 5.165 -17.850 10.261 1.00 1.15 H +ATOM 1890 HB3 SER A 122 6.756 -17.313 9.729 1.00 1.07 H +ATOM 1891 HG SER A 122 6.636 -19.472 10.686 1.00 1.70 H +ATOM 1892 N PHE A 123 5.486 -14.567 10.085 1.00 0.41 N +ATOM 1893 CA PHE A 123 5.767 -13.313 9.329 1.00 0.38 C +ATOM 1894 C PHE A 123 6.198 -12.208 10.296 1.00 0.35 C +ATOM 1895 O PHE A 123 7.025 -11.379 9.975 1.00 0.34 O +ATOM 1896 CB PHE A 123 4.509 -12.872 8.580 1.00 0.43 C +ATOM 1897 CG PHE A 123 4.869 -11.783 7.599 1.00 0.41 C +ATOM 1898 CD1 PHE A 123 5.421 -12.114 6.356 1.00 1.20 C +ATOM 1899 CD2 PHE A 123 4.652 -10.442 7.933 1.00 1.27 C +ATOM 1900 CE1 PHE A 123 5.755 -11.103 5.447 1.00 1.22 C +ATOM 1901 CE2 PHE A 123 4.987 -9.431 7.025 1.00 1.35 C +ATOM 1902 CZ PHE A 123 5.538 -9.761 5.781 1.00 0.63 C +ATOM 1903 H PHE A 123 4.598 -14.979 10.039 1.00 0.44 H +ATOM 1904 HA PHE A 123 6.560 -13.495 8.618 1.00 0.39 H +ATOM 1905 HB2 PHE A 123 4.092 -13.715 8.048 1.00 0.52 H +ATOM 1906 HB3 PHE A 123 3.784 -12.495 9.285 1.00 0.50 H +ATOM 1907 HD1 PHE A 123 5.589 -13.149 6.098 1.00 2.07 H +ATOM 1908 HD2 PHE A 123 4.227 -10.187 8.893 1.00 2.12 H +ATOM 1909 HE1 PHE A 123 6.181 -11.359 4.487 1.00 2.06 H +ATOM 1910 HE2 PHE A 123 4.819 -8.396 7.283 1.00 2.22 H +ATOM 1911 HZ PHE A 123 5.797 -8.981 5.081 1.00 0.77 H +ATOM 1912 N GLU A 124 5.646 -12.187 11.477 1.00 0.36 N +ATOM 1913 CA GLU A 124 6.029 -11.131 12.458 1.00 0.36 C +ATOM 1914 C GLU A 124 7.447 -11.393 12.971 1.00 0.32 C +ATOM 1915 O GLU A 124 8.158 -10.483 13.345 1.00 0.33 O +ATOM 1916 CB GLU A 124 5.053 -11.150 13.635 1.00 0.43 C +ATOM 1917 CG GLU A 124 5.384 -10.001 14.591 1.00 0.77 C +ATOM 1918 CD GLU A 124 4.636 -10.202 15.909 1.00 1.17 C +ATOM 1919 OE1 GLU A 124 4.424 -11.344 16.280 1.00 1.55 O +ATOM 1920 OE2 GLU A 124 4.287 -9.209 16.527 1.00 1.98 O +ATOM 1921 H GLU A 124 4.979 -12.863 11.720 1.00 0.39 H +ATOM 1922 HA GLU A 124 5.993 -10.164 11.977 1.00 0.37 H +ATOM 1923 HB2 GLU A 124 4.044 -11.035 13.268 1.00 0.64 H +ATOM 1924 HB3 GLU A 124 5.141 -12.089 14.160 1.00 0.73 H +ATOM 1925 HG2 GLU A 124 6.448 -9.985 14.778 1.00 1.18 H +ATOM 1926 HG3 GLU A 124 5.082 -9.065 14.146 1.00 1.27 H +ATOM 1927 N GLN A 125 7.863 -12.629 12.995 1.00 0.32 N +ATOM 1928 CA GLN A 125 9.233 -12.950 13.488 1.00 0.32 C +ATOM 1929 C GLN A 125 10.278 -12.486 12.469 1.00 0.29 C +ATOM 1930 O GLN A 125 11.105 -11.641 12.755 1.00 0.29 O +ATOM 1931 CB GLN A 125 9.359 -14.461 13.684 1.00 0.39 C +ATOM 1932 CG GLN A 125 9.401 -14.781 15.180 1.00 0.56 C +ATOM 1933 CD GLN A 125 10.150 -16.097 15.402 1.00 1.18 C +ATOM 1934 OE1 GLN A 125 11.129 -16.372 14.738 1.00 2.07 O +ATOM 1935 NE2 GLN A 125 9.728 -16.927 16.317 1.00 1.72 N +ATOM 1936 H GLN A 125 7.272 -13.349 12.691 1.00 0.34 H +ATOM 1937 HA GLN A 125 9.403 -12.451 14.430 1.00 0.34 H +ATOM 1938 HB2 GLN A 125 8.511 -14.953 13.231 1.00 0.52 H +ATOM 1939 HB3 GLN A 125 10.269 -14.809 13.217 1.00 0.49 H +ATOM 1940 HG2 GLN A 125 9.908 -13.984 15.704 1.00 1.15 H +ATOM 1941 HG3 GLN A 125 8.393 -14.875 15.556 1.00 1.06 H +ATOM 1942 HE21 GLN A 125 8.938 -16.705 16.853 1.00 2.04 H +ATOM 1943 HE22 GLN A 125 10.201 -17.772 16.467 1.00 2.30 H +ATOM 1944 N VAL A 126 10.250 -13.035 11.284 1.00 0.30 N +ATOM 1945 CA VAL A 126 11.245 -12.627 10.249 1.00 0.31 C +ATOM 1946 C VAL A 126 11.204 -11.107 10.076 1.00 0.28 C +ATOM 1947 O VAL A 126 12.220 -10.435 10.107 1.00 0.30 O +ATOM 1948 CB VAL A 126 10.906 -13.301 8.917 1.00 0.35 C +ATOM 1949 CG1 VAL A 126 12.055 -13.088 7.931 1.00 0.41 C +ATOM 1950 CG2 VAL A 126 10.705 -14.802 9.142 1.00 0.39 C +ATOM 1951 H VAL A 126 9.575 -13.716 11.076 1.00 0.33 H +ATOM 1952 HA VAL A 126 12.234 -12.928 10.562 1.00 0.34 H +ATOM 1953 HB VAL A 126 10.001 -12.870 8.515 1.00 0.35 H +ATOM 1954 HG11 VAL A 126 12.764 -12.389 8.349 1.00 1.11 H +ATOM 1955 HG12 VAL A 126 12.547 -14.031 7.743 1.00 1.11 H +ATOM 1956 HG13 VAL A 126 11.665 -12.695 7.004 1.00 1.02 H +ATOM 1957 HG21 VAL A 126 11.282 -15.118 9.998 1.00 1.01 H +ATOM 1958 HG22 VAL A 126 9.659 -15.002 9.319 1.00 1.08 H +ATOM 1959 HG23 VAL A 126 11.033 -15.343 8.267 1.00 1.01 H +ATOM 1960 N VAL A 127 10.035 -10.557 9.900 1.00 0.26 N +ATOM 1961 CA VAL A 127 9.934 -9.082 9.730 1.00 0.26 C +ATOM 1962 C VAL A 127 10.569 -8.401 10.940 1.00 0.29 C +ATOM 1963 O VAL A 127 11.187 -7.364 10.826 1.00 0.34 O +ATOM 1964 CB VAL A 127 8.466 -8.670 9.621 1.00 0.27 C +ATOM 1965 CG1 VAL A 127 8.321 -7.203 10.030 1.00 0.32 C +ATOM 1966 CG2 VAL A 127 7.997 -8.840 8.175 1.00 0.29 C +ATOM 1967 H VAL A 127 9.228 -11.112 9.882 1.00 0.26 H +ATOM 1968 HA VAL A 127 10.459 -8.786 8.834 1.00 0.30 H +ATOM 1969 HB VAL A 127 7.867 -9.288 10.274 1.00 0.29 H +ATOM 1970 HG11 VAL A 127 9.083 -6.616 9.539 1.00 1.14 H +ATOM 1971 HG12 VAL A 127 7.345 -6.843 9.739 1.00 1.03 H +ATOM 1972 HG13 VAL A 127 8.433 -7.115 11.100 1.00 0.92 H +ATOM 1973 HG21 VAL A 127 8.795 -8.563 7.503 1.00 1.02 H +ATOM 1974 HG22 VAL A 127 7.724 -9.871 8.004 1.00 1.02 H +ATOM 1975 HG23 VAL A 127 7.141 -8.207 7.998 1.00 1.08 H +ATOM 1976 N ASN A 128 10.428 -8.980 12.101 1.00 0.30 N +ATOM 1977 CA ASN A 128 11.034 -8.362 13.311 1.00 0.35 C +ATOM 1978 C ASN A 128 12.536 -8.211 13.078 1.00 0.32 C +ATOM 1979 O ASN A 128 13.107 -7.160 13.289 1.00 0.38 O +ATOM 1980 CB ASN A 128 10.790 -9.259 14.527 1.00 0.42 C +ATOM 1981 CG ASN A 128 11.213 -8.521 15.798 1.00 0.96 C +ATOM 1982 OD1 ASN A 128 12.187 -7.794 15.797 1.00 1.69 O +ATOM 1983 ND2 ASN A 128 10.517 -8.679 16.891 1.00 1.57 N +ATOM 1984 H ASN A 128 9.930 -9.820 12.175 1.00 0.31 H +ATOM 1985 HA ASN A 128 10.593 -7.390 13.481 1.00 0.45 H +ATOM 1986 HB2 ASN A 128 9.741 -9.506 14.587 1.00 0.71 H +ATOM 1987 HB3 ASN A 128 11.369 -10.165 14.429 1.00 0.71 H +ATOM 1988 HD21 ASN A 128 9.732 -9.265 16.891 1.00 2.00 H +ATOM 1989 HD22 ASN A 128 10.780 -8.211 17.711 1.00 1.99 H +ATOM 1990 N GLU A 129 13.181 -9.256 12.635 1.00 0.32 N +ATOM 1991 CA GLU A 129 14.644 -9.172 12.382 1.00 0.41 C +ATOM 1992 C GLU A 129 14.912 -8.038 11.390 1.00 0.45 C +ATOM 1993 O GLU A 129 15.912 -7.352 11.469 1.00 0.55 O +ATOM 1994 CB GLU A 129 15.137 -10.505 11.806 1.00 0.53 C +ATOM 1995 CG GLU A 129 15.956 -10.262 10.535 1.00 1.09 C +ATOM 1996 CD GLU A 129 16.558 -11.585 10.057 1.00 1.70 C +ATOM 1997 OE1 GLU A 129 15.826 -12.559 10.001 1.00 2.29 O +ATOM 1998 OE2 GLU A 129 17.740 -11.601 9.756 1.00 2.33 O +ATOM 1999 H GLU A 129 12.700 -10.094 12.466 1.00 0.34 H +ATOM 2000 HA GLU A 129 15.159 -8.967 13.310 1.00 0.47 H +ATOM 2001 HB2 GLU A 129 15.753 -11.006 12.539 1.00 1.30 H +ATOM 2002 HB3 GLU A 129 14.287 -11.128 11.568 1.00 1.24 H +ATOM 2003 HG2 GLU A 129 15.315 -9.860 9.763 1.00 1.75 H +ATOM 2004 HG3 GLU A 129 16.753 -9.564 10.746 1.00 1.70 H +ATOM 2005 N LEU A 130 14.023 -7.834 10.454 1.00 0.47 N +ATOM 2006 CA LEU A 130 14.231 -6.741 9.458 1.00 0.62 C +ATOM 2007 C LEU A 130 14.337 -5.397 10.184 1.00 0.55 C +ATOM 2008 O LEU A 130 15.294 -4.666 10.023 1.00 0.60 O +ATOM 2009 CB LEU A 130 13.047 -6.687 8.490 1.00 0.88 C +ATOM 2010 CG LEU A 130 12.875 -8.043 7.808 1.00 0.63 C +ATOM 2011 CD1 LEU A 130 11.739 -7.961 6.788 1.00 1.32 C +ATOM 2012 CD2 LEU A 130 14.175 -8.418 7.093 1.00 1.00 C +ATOM 2013 H LEU A 130 13.221 -8.400 10.406 1.00 0.44 H +ATOM 2014 HA LEU A 130 15.140 -6.924 8.906 1.00 0.71 H +ATOM 2015 HB2 LEU A 130 12.147 -6.441 9.034 1.00 1.60 H +ATOM 2016 HB3 LEU A 130 13.230 -5.932 7.740 1.00 1.39 H +ATOM 2017 HG LEU A 130 12.639 -8.791 8.550 1.00 1.10 H +ATOM 2018 HD11 LEU A 130 10.910 -7.414 7.216 1.00 1.80 H +ATOM 2019 HD12 LEU A 130 12.087 -7.451 5.902 1.00 1.88 H +ATOM 2020 HD13 LEU A 130 11.416 -8.958 6.527 1.00 1.83 H +ATOM 2021 HD21 LEU A 130 14.801 -7.543 7.004 1.00 1.64 H +ATOM 2022 HD22 LEU A 130 14.693 -9.176 7.661 1.00 1.73 H +ATOM 2023 HD23 LEU A 130 13.946 -8.798 6.109 1.00 1.23 H +ATOM 2024 N PHE A 131 13.355 -5.065 10.975 1.00 0.53 N +ATOM 2025 CA PHE A 131 13.388 -3.767 11.708 1.00 0.50 C +ATOM 2026 C PHE A 131 14.178 -3.895 13.019 1.00 0.46 C +ATOM 2027 O PHE A 131 14.222 -2.974 13.810 1.00 0.52 O +ATOM 2028 CB PHE A 131 11.954 -3.334 12.019 1.00 0.55 C +ATOM 2029 CG PHE A 131 11.129 -3.380 10.754 1.00 0.49 C +ATOM 2030 CD1 PHE A 131 11.623 -2.807 9.575 1.00 1.38 C +ATOM 2031 CD2 PHE A 131 9.872 -3.993 10.760 1.00 1.23 C +ATOM 2032 CE1 PHE A 131 10.858 -2.849 8.403 1.00 1.43 C +ATOM 2033 CE2 PHE A 131 9.106 -4.035 9.588 1.00 1.29 C +ATOM 2034 CZ PHE A 131 9.600 -3.462 8.409 1.00 0.70 C +ATOM 2035 H PHE A 131 12.591 -5.668 11.084 1.00 0.60 H +ATOM 2036 HA PHE A 131 13.854 -3.019 11.084 1.00 0.54 H +ATOM 2037 HB2 PHE A 131 11.528 -4.004 12.752 1.00 0.72 H +ATOM 2038 HB3 PHE A 131 11.958 -2.327 12.409 1.00 0.55 H +ATOM 2039 HD1 PHE A 131 12.594 -2.334 9.570 1.00 2.27 H +ATOM 2040 HD2 PHE A 131 9.492 -4.435 11.669 1.00 2.11 H +ATOM 2041 HE1 PHE A 131 11.239 -2.408 7.494 1.00 2.32 H +ATOM 2042 HE2 PHE A 131 8.136 -4.508 9.593 1.00 2.17 H +ATOM 2043 HZ PHE A 131 9.010 -3.494 7.505 1.00 0.85 H +ATOM 2044 N ARG A 132 14.804 -5.018 13.268 1.00 0.42 N +ATOM 2045 CA ARG A 132 15.579 -5.167 14.534 1.00 0.45 C +ATOM 2046 C ARG A 132 16.770 -4.196 14.543 1.00 0.53 C +ATOM 2047 O ARG A 132 17.356 -3.938 15.576 1.00 0.64 O +ATOM 2048 CB ARG A 132 16.097 -6.601 14.650 1.00 0.45 C +ATOM 2049 CG ARG A 132 15.217 -7.385 15.626 1.00 0.90 C +ATOM 2050 CD ARG A 132 15.995 -8.587 16.163 1.00 1.38 C +ATOM 2051 NE ARG A 132 15.275 -9.160 17.335 1.00 1.77 N +ATOM 2052 CZ ARG A 132 15.949 -9.604 18.361 1.00 2.46 C +ATOM 2053 NH1 ARG A 132 17.049 -10.280 18.176 1.00 3.16 N +ATOM 2054 NH2 ARG A 132 15.522 -9.371 19.572 1.00 3.05 N +ATOM 2055 H ARG A 132 14.765 -5.760 12.630 1.00 0.42 H +ATOM 2056 HA ARG A 132 14.936 -4.951 15.374 1.00 0.49 H +ATOM 2057 HB2 ARG A 132 16.070 -7.073 13.680 1.00 0.95 H +ATOM 2058 HB3 ARG A 132 17.113 -6.589 15.016 1.00 0.82 H +ATOM 2059 HG2 ARG A 132 14.931 -6.743 16.447 1.00 1.43 H +ATOM 2060 HG3 ARG A 132 14.332 -7.731 15.114 1.00 1.32 H +ATOM 2061 HD2 ARG A 132 16.078 -9.337 15.390 1.00 1.74 H +ATOM 2062 HD3 ARG A 132 16.982 -8.271 16.466 1.00 2.04 H +ATOM 2063 HE ARG A 132 14.296 -9.204 17.336 1.00 2.10 H +ATOM 2064 HH11 ARG A 132 17.376 -10.459 17.248 1.00 3.32 H +ATOM 2065 HH12 ARG A 132 17.566 -10.620 18.962 1.00 3.84 H +ATOM 2066 HH21 ARG A 132 14.679 -8.852 19.714 1.00 3.14 H +ATOM 2067 HH22 ARG A 132 16.038 -9.711 20.358 1.00 3.75 H +ATOM 2068 N ASP A 133 17.138 -3.654 13.409 1.00 0.53 N +ATOM 2069 CA ASP A 133 18.290 -2.708 13.378 1.00 0.65 C +ATOM 2070 C ASP A 133 17.839 -1.325 13.861 1.00 0.64 C +ATOM 2071 O ASP A 133 18.628 -0.542 14.352 1.00 0.80 O +ATOM 2072 CB ASP A 133 18.821 -2.599 11.947 1.00 0.70 C +ATOM 2073 CG ASP A 133 20.329 -2.856 11.940 1.00 1.22 C +ATOM 2074 OD1 ASP A 133 21.054 -2.024 12.458 1.00 1.89 O +ATOM 2075 OD2 ASP A 133 20.732 -3.882 11.417 1.00 1.87 O +ATOM 2076 H ASP A 133 16.661 -3.868 12.581 1.00 0.48 H +ATOM 2077 HA ASP A 133 19.073 -3.076 14.024 1.00 0.74 H +ATOM 2078 HB2 ASP A 133 18.327 -3.331 11.324 1.00 1.06 H +ATOM 2079 HB3 ASP A 133 18.625 -1.609 11.565 1.00 1.01 H +ATOM 2080 N GLY A 134 16.576 -1.018 13.730 1.00 0.51 N +ATOM 2081 CA GLY A 134 16.081 0.314 14.188 1.00 0.54 C +ATOM 2082 C GLY A 134 15.204 0.966 13.109 1.00 0.43 C +ATOM 2083 O GLY A 134 15.140 2.175 13.009 1.00 0.43 O +ATOM 2084 H GLY A 134 15.957 -1.662 13.338 1.00 0.44 H +ATOM 2085 HA2 GLY A 134 15.502 0.187 15.091 1.00 0.57 H +ATOM 2086 HA3 GLY A 134 16.925 0.956 14.393 1.00 0.63 H +ATOM 2087 N VAL A 135 14.524 0.182 12.308 1.00 0.39 N +ATOM 2088 CA VAL A 135 13.651 0.763 11.247 1.00 0.34 C +ATOM 2089 C VAL A 135 14.436 1.781 10.414 1.00 0.36 C +ATOM 2090 O VAL A 135 14.202 2.971 10.491 1.00 0.80 O +ATOM 2091 CB VAL A 135 12.457 1.456 11.903 1.00 0.34 C +ATOM 2092 CG1 VAL A 135 11.609 2.138 10.829 1.00 0.45 C +ATOM 2093 CG2 VAL A 135 11.607 0.417 12.638 1.00 0.39 C +ATOM 2094 H VAL A 135 14.581 -0.787 12.406 1.00 0.44 H +ATOM 2095 HA VAL A 135 13.295 -0.027 10.604 1.00 0.37 H +ATOM 2096 HB VAL A 135 12.814 2.196 12.606 1.00 0.35 H +ATOM 2097 HG11 VAL A 135 11.676 1.577 9.908 1.00 1.16 H +ATOM 2098 HG12 VAL A 135 10.579 2.175 11.154 1.00 1.14 H +ATOM 2099 HG13 VAL A 135 11.971 3.141 10.667 1.00 1.06 H +ATOM 2100 HG21 VAL A 135 12.245 -0.202 13.252 1.00 1.18 H +ATOM 2101 HG22 VAL A 135 10.885 0.921 13.263 1.00 0.98 H +ATOM 2102 HG23 VAL A 135 11.091 -0.200 11.918 1.00 1.08 H +ATOM 2103 N ASN A 136 15.361 1.327 9.615 1.00 0.45 N +ATOM 2104 CA ASN A 136 16.151 2.275 8.779 1.00 0.40 C +ATOM 2105 C ASN A 136 15.376 2.577 7.495 1.00 0.34 C +ATOM 2106 O ASN A 136 14.485 1.844 7.113 1.00 0.35 O +ATOM 2107 CB ASN A 136 17.500 1.645 8.426 1.00 0.44 C +ATOM 2108 CG ASN A 136 18.618 2.381 9.166 1.00 0.82 C +ATOM 2109 OD1 ASN A 136 18.442 2.801 10.293 1.00 1.53 O +ATOM 2110 ND2 ASN A 136 19.768 2.558 8.576 1.00 1.46 N +ATOM 2111 H ASN A 136 15.536 0.364 9.563 1.00 0.83 H +ATOM 2112 HA ASN A 136 16.312 3.192 9.328 1.00 0.41 H +ATOM 2113 HB2 ASN A 136 17.498 0.605 8.716 1.00 0.65 H +ATOM 2114 HB3 ASN A 136 17.665 1.722 7.361 1.00 0.71 H +ATOM 2115 HD21 ASN A 136 19.909 2.220 7.667 1.00 1.99 H +ATOM 2116 HD22 ASN A 136 20.491 3.028 9.042 1.00 1.78 H +ATOM 2117 N TRP A 137 15.703 3.647 6.823 1.00 0.30 N +ATOM 2118 CA TRP A 137 14.973 3.976 5.567 1.00 0.29 C +ATOM 2119 C TRP A 137 15.151 2.829 4.572 1.00 0.28 C +ATOM 2120 O TRP A 137 14.199 2.350 3.987 1.00 0.30 O +ATOM 2121 CB TRP A 137 15.522 5.272 4.965 1.00 0.30 C +ATOM 2122 CG TRP A 137 14.909 6.450 5.658 1.00 0.29 C +ATOM 2123 CD1 TRP A 137 15.601 7.509 6.137 1.00 0.31 C +ATOM 2124 CD2 TRP A 137 13.504 6.711 5.958 1.00 0.28 C +ATOM 2125 NE1 TRP A 137 14.714 8.402 6.711 1.00 0.31 N +ATOM 2126 CE2 TRP A 137 13.411 7.954 6.628 1.00 0.30 C +ATOM 2127 CE3 TRP A 137 12.311 5.999 5.719 1.00 0.28 C +ATOM 2128 CZ2 TRP A 137 12.185 8.473 7.046 1.00 0.32 C +ATOM 2129 CZ3 TRP A 137 11.076 6.519 6.138 1.00 0.30 C +ATOM 2130 CH2 TRP A 137 11.014 7.753 6.802 1.00 0.32 C +ATOM 2131 H TRP A 137 16.423 4.230 7.142 1.00 0.32 H +ATOM 2132 HA TRP A 137 13.926 4.096 5.789 1.00 0.30 H +ATOM 2133 HB2 TRP A 137 16.594 5.299 5.090 1.00 0.33 H +ATOM 2134 HB3 TRP A 137 15.282 5.309 3.913 1.00 0.31 H +ATOM 2135 HD1 TRP A 137 16.672 7.638 6.079 1.00 0.33 H +ATOM 2136 HE1 TRP A 137 14.960 9.252 7.132 1.00 0.34 H +ATOM 2137 HE3 TRP A 137 12.343 5.051 5.206 1.00 0.28 H +ATOM 2138 HZ2 TRP A 137 12.142 9.423 7.556 1.00 0.35 H +ATOM 2139 HZ3 TRP A 137 10.169 5.965 5.949 1.00 0.32 H +ATOM 2140 HH2 TRP A 137 10.061 8.149 7.121 1.00 0.36 H +ATOM 2141 N GLY A 138 16.361 2.381 4.377 1.00 0.33 N +ATOM 2142 CA GLY A 138 16.592 1.261 3.423 1.00 0.37 C +ATOM 2143 C GLY A 138 15.872 0.006 3.927 1.00 0.37 C +ATOM 2144 O GLY A 138 15.560 -0.885 3.165 1.00 0.39 O +ATOM 2145 H GLY A 138 17.115 2.778 4.861 1.00 0.39 H +ATOM 2146 HA2 GLY A 138 16.206 1.533 2.450 1.00 0.38 H +ATOM 2147 HA3 GLY A 138 17.648 1.060 3.347 1.00 0.41 H +ATOM 2148 N ARG A 139 15.603 -0.074 5.205 1.00 0.36 N +ATOM 2149 CA ARG A 139 14.901 -1.272 5.745 1.00 0.37 C +ATOM 2150 C ARG A 139 13.414 -1.183 5.399 1.00 0.33 C +ATOM 2151 O ARG A 139 12.747 -2.183 5.229 1.00 0.34 O +ATOM 2152 CB ARG A 139 15.071 -1.327 7.265 1.00 0.40 C +ATOM 2153 CG ARG A 139 16.534 -1.616 7.606 1.00 0.79 C +ATOM 2154 CD ARG A 139 16.780 -3.126 7.565 1.00 0.73 C +ATOM 2155 NE ARG A 139 17.514 -3.476 6.316 1.00 1.20 N +ATOM 2156 CZ ARG A 139 18.795 -3.719 6.359 1.00 1.45 C +ATOM 2157 NH1 ARG A 139 19.576 -2.976 7.094 1.00 1.98 N +ATOM 2158 NH2 ARG A 139 19.295 -4.706 5.667 1.00 2.11 N +ATOM 2159 H ARG A 139 15.860 0.652 5.809 1.00 0.35 H +ATOM 2160 HA ARG A 139 15.318 -2.165 5.302 1.00 0.41 H +ATOM 2161 HB2 ARG A 139 14.782 -0.378 7.693 1.00 0.63 H +ATOM 2162 HB3 ARG A 139 14.448 -2.110 7.669 1.00 0.69 H +ATOM 2163 HG2 ARG A 139 17.175 -1.127 6.886 1.00 1.56 H +ATOM 2164 HG3 ARG A 139 16.754 -1.245 8.595 1.00 1.49 H +ATOM 2165 HD2 ARG A 139 17.368 -3.418 8.422 1.00 1.47 H +ATOM 2166 HD3 ARG A 139 15.833 -3.645 7.584 1.00 1.39 H +ATOM 2167 HE ARG A 139 17.034 -3.525 5.463 1.00 1.95 H +ATOM 2168 HH11 ARG A 139 19.193 -2.220 7.624 1.00 2.40 H +ATOM 2169 HH12 ARG A 139 20.558 -3.162 7.127 1.00 2.38 H +ATOM 2170 HH21 ARG A 139 18.696 -5.276 5.104 1.00 2.49 H +ATOM 2171 HH22 ARG A 139 20.277 -4.893 5.699 1.00 2.61 H +ATOM 2172 N ILE A 140 12.888 0.008 5.289 1.00 0.30 N +ATOM 2173 CA ILE A 140 11.445 0.154 4.949 1.00 0.28 C +ATOM 2174 C ILE A 140 11.251 -0.165 3.464 1.00 0.27 C +ATOM 2175 O ILE A 140 10.385 -0.927 3.089 1.00 0.27 O +ATOM 2176 CB ILE A 140 10.993 1.590 5.236 1.00 0.29 C +ATOM 2177 CG1 ILE A 140 10.554 1.697 6.698 1.00 0.33 C +ATOM 2178 CG2 ILE A 140 9.821 1.960 4.321 1.00 0.31 C +ATOM 2179 CD1 ILE A 140 10.157 3.140 7.012 1.00 0.33 C +ATOM 2180 H ILE A 140 13.442 0.805 5.429 1.00 0.31 H +ATOM 2181 HA ILE A 140 10.863 -0.534 5.544 1.00 0.30 H +ATOM 2182 HB ILE A 140 11.815 2.266 5.056 1.00 0.31 H +ATOM 2183 HG12 ILE A 140 9.710 1.045 6.868 1.00 0.40 H +ATOM 2184 HG13 ILE A 140 11.371 1.403 7.341 1.00 0.40 H +ATOM 2185 HG21 ILE A 140 9.079 1.175 4.350 1.00 0.97 H +ATOM 2186 HG22 ILE A 140 9.378 2.886 4.659 1.00 1.05 H +ATOM 2187 HG23 ILE A 140 10.177 2.082 3.309 1.00 1.12 H +ATOM 2188 HD11 ILE A 140 10.663 3.809 6.331 1.00 1.11 H +ATOM 2189 HD12 ILE A 140 9.089 3.252 6.899 1.00 0.99 H +ATOM 2190 HD13 ILE A 140 10.439 3.379 8.027 1.00 0.94 H +ATOM 2191 N VAL A 141 12.057 0.408 2.614 1.00 0.29 N +ATOM 2192 CA VAL A 141 11.918 0.130 1.157 1.00 0.29 C +ATOM 2193 C VAL A 141 12.116 -1.369 0.910 1.00 0.28 C +ATOM 2194 O VAL A 141 11.368 -1.998 0.184 1.00 0.27 O +ATOM 2195 CB VAL A 141 12.975 0.927 0.389 1.00 0.32 C +ATOM 2196 CG1 VAL A 141 13.522 0.085 -0.762 1.00 0.31 C +ATOM 2197 CG2 VAL A 141 12.342 2.202 -0.171 1.00 0.37 C +ATOM 2198 H VAL A 141 12.754 1.017 2.934 1.00 0.32 H +ATOM 2199 HA VAL A 141 10.933 0.423 0.826 1.00 0.28 H +ATOM 2200 HB VAL A 141 13.783 1.189 1.058 1.00 0.39 H +ATOM 2201 HG11 VAL A 141 12.701 -0.363 -1.302 1.00 1.00 H +ATOM 2202 HG12 VAL A 141 14.091 0.715 -1.429 1.00 1.03 H +ATOM 2203 HG13 VAL A 141 14.160 -0.691 -0.368 1.00 1.15 H +ATOM 2204 HG21 VAL A 141 11.275 2.063 -0.263 1.00 1.09 H +ATOM 2205 HG22 VAL A 141 12.542 3.026 0.497 1.00 1.10 H +ATOM 2206 HG23 VAL A 141 12.763 2.415 -1.143 1.00 1.08 H +ATOM 2207 N ALA A 142 13.119 -1.948 1.514 1.00 0.33 N +ATOM 2208 CA ALA A 142 13.368 -3.404 1.323 1.00 0.34 C +ATOM 2209 C ALA A 142 12.183 -4.191 1.884 1.00 0.30 C +ATOM 2210 O ALA A 142 11.828 -5.236 1.383 1.00 0.29 O +ATOM 2211 CB ALA A 142 14.646 -3.806 2.062 1.00 0.40 C +ATOM 2212 H ALA A 142 13.704 -1.424 2.096 1.00 0.37 H +ATOM 2213 HA ALA A 142 13.477 -3.617 0.270 1.00 0.34 H +ATOM 2214 HB1 ALA A 142 15.323 -2.965 2.094 1.00 1.13 H +ATOM 2215 HB2 ALA A 142 14.399 -4.109 3.069 1.00 1.09 H +ATOM 2216 HB3 ALA A 142 15.117 -4.628 1.544 1.00 1.07 H +ATOM 2217 N PHE A 143 11.569 -3.689 2.919 1.00 0.30 N +ATOM 2218 CA PHE A 143 10.401 -4.398 3.518 1.00 0.29 C +ATOM 2219 C PHE A 143 9.223 -4.335 2.540 1.00 0.24 C +ATOM 2220 O PHE A 143 8.372 -5.205 2.519 1.00 0.25 O +ATOM 2221 CB PHE A 143 10.042 -3.728 4.850 1.00 0.33 C +ATOM 2222 CG PHE A 143 8.555 -3.484 4.945 1.00 0.30 C +ATOM 2223 CD1 PHE A 143 7.692 -4.529 5.293 1.00 1.16 C +ATOM 2224 CD2 PHE A 143 8.040 -2.204 4.703 1.00 1.23 C +ATOM 2225 CE1 PHE A 143 6.315 -4.293 5.398 1.00 1.16 C +ATOM 2226 CE2 PHE A 143 6.666 -1.970 4.805 1.00 1.25 C +ATOM 2227 CZ PHE A 143 5.803 -3.013 5.153 1.00 0.35 C +ATOM 2228 H PHE A 143 11.874 -2.841 3.303 1.00 0.34 H +ATOM 2229 HA PHE A 143 10.659 -5.432 3.694 1.00 0.30 H +ATOM 2230 HB2 PHE A 143 10.349 -4.368 5.664 1.00 0.40 H +ATOM 2231 HB3 PHE A 143 10.563 -2.784 4.925 1.00 0.38 H +ATOM 2232 HD1 PHE A 143 8.086 -5.517 5.480 1.00 2.04 H +ATOM 2233 HD2 PHE A 143 8.704 -1.398 4.437 1.00 2.10 H +ATOM 2234 HE1 PHE A 143 5.649 -5.097 5.669 1.00 2.03 H +ATOM 2235 HE2 PHE A 143 6.271 -0.983 4.616 1.00 2.13 H +ATOM 2236 HZ PHE A 143 4.742 -2.830 5.235 1.00 0.41 H +ATOM 2237 N PHE A 144 9.173 -3.316 1.722 1.00 0.24 N +ATOM 2238 CA PHE A 144 8.060 -3.200 0.739 1.00 0.22 C +ATOM 2239 C PHE A 144 8.268 -4.224 -0.373 1.00 0.22 C +ATOM 2240 O PHE A 144 7.343 -4.881 -0.806 1.00 0.23 O +ATOM 2241 CB PHE A 144 8.061 -1.796 0.131 1.00 0.26 C +ATOM 2242 CG PHE A 144 7.037 -0.935 0.827 1.00 0.24 C +ATOM 2243 CD1 PHE A 144 5.711 -0.923 0.377 1.00 1.21 C +ATOM 2244 CD2 PHE A 144 7.415 -0.143 1.916 1.00 1.24 C +ATOM 2245 CE1 PHE A 144 4.764 -0.117 1.018 1.00 1.29 C +ATOM 2246 CE2 PHE A 144 6.469 0.664 2.555 1.00 1.24 C +ATOM 2247 CZ PHE A 144 5.143 0.677 2.107 1.00 0.49 C +ATOM 2248 H PHE A 144 9.871 -2.630 1.749 1.00 0.26 H +ATOM 2249 HA PHE A 144 7.119 -3.387 1.230 1.00 0.23 H +ATOM 2250 HB2 PHE A 144 9.040 -1.355 0.248 1.00 0.35 H +ATOM 2251 HB3 PHE A 144 7.820 -1.861 -0.920 1.00 0.33 H +ATOM 2252 HD1 PHE A 144 5.420 -1.536 -0.463 1.00 2.10 H +ATOM 2253 HD2 PHE A 144 8.438 -0.154 2.262 1.00 2.16 H +ATOM 2254 HE1 PHE A 144 3.741 -0.107 0.672 1.00 2.21 H +ATOM 2255 HE2 PHE A 144 6.761 1.275 3.396 1.00 2.12 H +ATOM 2256 HZ PHE A 144 4.414 1.301 2.598 1.00 0.61 H +ATOM 2257 N SER A 145 9.477 -4.366 -0.840 1.00 0.25 N +ATOM 2258 CA SER A 145 9.745 -5.351 -1.926 1.00 0.28 C +ATOM 2259 C SER A 145 9.738 -6.775 -1.354 1.00 0.27 C +ATOM 2260 O SER A 145 9.587 -7.741 -2.078 1.00 0.29 O +ATOM 2261 CB SER A 145 11.111 -5.061 -2.548 1.00 0.33 C +ATOM 2262 OG SER A 145 10.928 -4.422 -3.804 1.00 1.15 O +ATOM 2263 H SER A 145 10.211 -3.823 -0.475 1.00 0.27 H +ATOM 2264 HA SER A 145 8.981 -5.265 -2.684 1.00 0.29 H +ATOM 2265 HB2 SER A 145 11.675 -4.411 -1.899 1.00 1.02 H +ATOM 2266 HB3 SER A 145 11.650 -5.990 -2.680 1.00 0.95 H +ATOM 2267 HG SER A 145 11.383 -4.942 -4.471 1.00 1.62 H +ATOM 2268 N PHE A 146 9.896 -6.919 -0.062 1.00 0.27 N +ATOM 2269 CA PHE A 146 9.897 -8.282 0.542 1.00 0.29 C +ATOM 2270 C PHE A 146 8.461 -8.796 0.623 1.00 0.28 C +ATOM 2271 O PHE A 146 8.125 -9.820 0.063 1.00 0.31 O +ATOM 2272 CB PHE A 146 10.490 -8.217 1.951 1.00 0.33 C +ATOM 2273 CG PHE A 146 10.034 -9.417 2.747 1.00 0.34 C +ATOM 2274 CD1 PHE A 146 10.467 -10.700 2.389 1.00 1.21 C +ATOM 2275 CD2 PHE A 146 9.179 -9.247 3.842 1.00 1.13 C +ATOM 2276 CE1 PHE A 146 10.045 -11.812 3.127 1.00 1.25 C +ATOM 2277 CE2 PHE A 146 8.756 -10.360 4.580 1.00 1.15 C +ATOM 2278 CZ PHE A 146 9.189 -11.642 4.222 1.00 0.52 C +ATOM 2279 H PHE A 146 10.013 -6.134 0.510 1.00 0.26 H +ATOM 2280 HA PHE A 146 10.490 -8.950 -0.070 1.00 0.32 H +ATOM 2281 HB2 PHE A 146 11.568 -8.216 1.889 1.00 0.37 H +ATOM 2282 HB3 PHE A 146 10.157 -7.314 2.441 1.00 0.38 H +ATOM 2283 HD1 PHE A 146 11.127 -10.831 1.544 1.00 2.03 H +ATOM 2284 HD2 PHE A 146 8.845 -8.258 4.118 1.00 1.97 H +ATOM 2285 HE1 PHE A 146 10.379 -12.801 2.851 1.00 2.09 H +ATOM 2286 HE2 PHE A 146 8.097 -10.229 5.425 1.00 1.97 H +ATOM 2287 HZ PHE A 146 8.863 -12.501 4.791 1.00 0.61 H +ATOM 2288 N GLY A 147 7.609 -8.090 1.315 1.00 0.28 N +ATOM 2289 CA GLY A 147 6.193 -8.540 1.429 1.00 0.31 C +ATOM 2290 C GLY A 147 5.506 -8.429 0.065 1.00 0.30 C +ATOM 2291 O GLY A 147 4.559 -9.134 -0.222 1.00 0.32 O +ATOM 2292 H GLY A 147 7.900 -7.264 1.760 1.00 0.31 H +ATOM 2293 HA2 GLY A 147 6.169 -9.567 1.764 1.00 0.32 H +ATOM 2294 HA3 GLY A 147 5.674 -7.917 2.141 1.00 0.34 H +ATOM 2295 N GLY A 148 5.974 -7.549 -0.779 1.00 0.31 N +ATOM 2296 CA GLY A 148 5.347 -7.394 -2.123 1.00 0.34 C +ATOM 2297 C GLY A 148 5.608 -8.647 -2.962 1.00 0.34 C +ATOM 2298 O GLY A 148 4.691 -9.309 -3.409 1.00 0.37 O +ATOM 2299 H GLY A 148 6.737 -6.988 -0.530 1.00 0.32 H +ATOM 2300 HA2 GLY A 148 4.282 -7.253 -2.007 1.00 0.37 H +ATOM 2301 HA3 GLY A 148 5.771 -6.537 -2.622 1.00 0.37 H +ATOM 2302 N ALA A 149 6.852 -8.980 -3.181 1.00 0.36 N +ATOM 2303 CA ALA A 149 7.162 -10.190 -3.992 1.00 0.40 C +ATOM 2304 C ALA A 149 6.461 -11.404 -3.379 1.00 0.39 C +ATOM 2305 O ALA A 149 5.848 -12.195 -4.069 1.00 0.40 O +ATOM 2306 CB ALA A 149 8.673 -10.425 -4.004 1.00 0.45 C +ATOM 2307 H ALA A 149 7.581 -8.434 -2.813 1.00 0.36 H +ATOM 2308 HA ALA A 149 6.812 -10.045 -5.004 1.00 0.44 H +ATOM 2309 HB1 ALA A 149 9.064 -10.297 -3.005 1.00 1.12 H +ATOM 2310 HB2 ALA A 149 8.878 -11.428 -4.346 1.00 1.09 H +ATOM 2311 HB3 ALA A 149 9.142 -9.714 -4.668 1.00 1.10 H +ATOM 2312 N LEU A 150 6.547 -11.556 -2.086 1.00 0.49 N +ATOM 2313 CA LEU A 150 5.886 -12.716 -1.427 1.00 0.52 C +ATOM 2314 C LEU A 150 4.403 -12.728 -1.796 1.00 0.42 C +ATOM 2315 O LEU A 150 3.809 -13.769 -1.993 1.00 0.39 O +ATOM 2316 CB LEU A 150 6.036 -12.592 0.089 1.00 0.65 C +ATOM 2317 CG LEU A 150 7.314 -13.302 0.533 1.00 0.73 C +ATOM 2318 CD1 LEU A 150 7.547 -13.051 2.024 1.00 1.07 C +ATOM 2319 CD2 LEU A 150 7.171 -14.805 0.285 1.00 1.69 C +ATOM 2320 H LEU A 150 7.045 -10.907 -1.549 1.00 0.59 H +ATOM 2321 HA LEU A 150 6.348 -13.633 -1.762 1.00 0.57 H +ATOM 2322 HB2 LEU A 150 6.089 -11.548 0.362 1.00 0.85 H +ATOM 2323 HB3 LEU A 150 5.186 -13.049 0.574 1.00 0.75 H +ATOM 2324 HG LEU A 150 8.153 -12.920 -0.031 1.00 1.23 H +ATOM 2325 HD11 LEU A 150 6.670 -13.348 2.580 1.00 1.65 H +ATOM 2326 HD12 LEU A 150 8.397 -13.627 2.358 1.00 1.75 H +ATOM 2327 HD13 LEU A 150 7.737 -12.000 2.186 1.00 1.52 H +ATOM 2328 HD21 LEU A 150 6.245 -14.997 -0.236 1.00 2.21 H +ATOM 2329 HD22 LEU A 150 8.000 -15.151 -0.314 1.00 2.18 H +ATOM 2330 HD23 LEU A 150 7.167 -15.327 1.231 1.00 2.20 H +ATOM 2331 N CYS A 151 3.800 -11.575 -1.894 1.00 0.41 N +ATOM 2332 CA CYS A 151 2.357 -11.517 -2.253 1.00 0.37 C +ATOM 2333 C CYS A 151 2.163 -12.124 -3.641 1.00 0.30 C +ATOM 2334 O CYS A 151 1.340 -12.995 -3.840 1.00 0.29 O +ATOM 2335 CB CYS A 151 1.893 -10.061 -2.261 1.00 0.42 C +ATOM 2336 SG CYS A 151 1.197 -9.658 -3.883 1.00 1.19 S +ATOM 2337 H CYS A 151 4.299 -10.747 -1.733 1.00 0.46 H +ATOM 2338 HA CYS A 151 1.782 -12.077 -1.531 1.00 0.41 H +ATOM 2339 HB2 CYS A 151 1.140 -9.918 -1.500 1.00 0.93 H +ATOM 2340 HB3 CYS A 151 2.735 -9.416 -2.060 1.00 0.82 H +ATOM 2341 HG CYS A 151 0.900 -8.746 -3.860 1.00 1.48 H +ATOM 2342 N VAL A 152 2.919 -11.673 -4.605 1.00 0.31 N +ATOM 2343 CA VAL A 152 2.777 -12.230 -5.980 1.00 0.32 C +ATOM 2344 C VAL A 152 3.223 -13.698 -5.999 1.00 0.34 C +ATOM 2345 O VAL A 152 2.961 -14.414 -6.942 1.00 0.39 O +ATOM 2346 CB VAL A 152 3.635 -11.422 -6.953 1.00 0.39 C +ATOM 2347 CG1 VAL A 152 3.725 -12.157 -8.290 1.00 0.40 C +ATOM 2348 CG2 VAL A 152 2.991 -10.056 -7.178 1.00 0.44 C +ATOM 2349 H VAL A 152 3.581 -10.971 -4.424 1.00 0.36 H +ATOM 2350 HA VAL A 152 1.742 -12.170 -6.282 1.00 0.33 H +ATOM 2351 HB VAL A 152 4.626 -11.294 -6.543 1.00 0.54 H +ATOM 2352 HG11 VAL A 152 2.752 -12.543 -8.554 1.00 1.22 H +ATOM 2353 HG12 VAL A 152 4.060 -11.473 -9.055 1.00 1.00 H +ATOM 2354 HG13 VAL A 152 4.426 -12.974 -8.205 1.00 1.01 H +ATOM 2355 HG21 VAL A 152 2.534 -9.719 -6.260 1.00 1.05 H +ATOM 2356 HG22 VAL A 152 3.746 -9.349 -7.487 1.00 1.06 H +ATOM 2357 HG23 VAL A 152 2.237 -10.138 -7.947 1.00 1.23 H +ATOM 2358 N GLU A 153 3.891 -14.161 -4.975 1.00 0.34 N +ATOM 2359 CA GLU A 153 4.333 -15.583 -4.967 1.00 0.38 C +ATOM 2360 C GLU A 153 3.104 -16.496 -4.899 1.00 0.35 C +ATOM 2361 O GLU A 153 3.121 -17.612 -5.378 1.00 0.38 O +ATOM 2362 CB GLU A 153 5.224 -15.835 -3.748 1.00 0.43 C +ATOM 2363 CG GLU A 153 6.075 -17.084 -3.986 1.00 0.72 C +ATOM 2364 CD GLU A 153 6.751 -17.498 -2.678 1.00 1.32 C +ATOM 2365 OE1 GLU A 153 6.049 -17.947 -1.787 1.00 1.95 O +ATOM 2366 OE2 GLU A 153 7.960 -17.359 -2.590 1.00 2.02 O +ATOM 2367 H GLU A 153 4.102 -13.581 -4.215 1.00 0.34 H +ATOM 2368 HA GLU A 153 4.888 -15.793 -5.869 1.00 0.44 H +ATOM 2369 HB2 GLU A 153 5.869 -14.982 -3.592 1.00 0.57 H +ATOM 2370 HB3 GLU A 153 4.606 -15.984 -2.875 1.00 0.49 H +ATOM 2371 HG2 GLU A 153 5.443 -17.888 -4.336 1.00 1.15 H +ATOM 2372 HG3 GLU A 153 6.830 -16.869 -4.727 1.00 1.28 H +ATOM 2373 N SER A 154 2.035 -16.029 -4.307 1.00 0.29 N +ATOM 2374 CA SER A 154 0.807 -16.869 -4.208 1.00 0.29 C +ATOM 2375 C SER A 154 -0.192 -16.450 -5.290 1.00 0.30 C +ATOM 2376 O SER A 154 -0.751 -17.275 -5.985 1.00 0.34 O +ATOM 2377 CB SER A 154 0.174 -16.681 -2.829 1.00 0.29 C +ATOM 2378 OG SER A 154 1.119 -17.033 -1.827 1.00 1.07 O +ATOM 2379 H SER A 154 2.041 -15.126 -3.926 1.00 0.28 H +ATOM 2380 HA SER A 154 1.070 -17.908 -4.344 1.00 0.31 H +ATOM 2381 HB2 SER A 154 -0.112 -15.651 -2.700 1.00 0.84 H +ATOM 2382 HB3 SER A 154 -0.703 -17.309 -2.749 1.00 0.85 H +ATOM 2383 HG SER A 154 0.983 -16.453 -1.075 1.00 1.36 H +ATOM 2384 N VAL A 155 -0.421 -15.173 -5.438 1.00 0.29 N +ATOM 2385 CA VAL A 155 -1.384 -14.701 -6.477 1.00 0.33 C +ATOM 2386 C VAL A 155 -0.831 -14.977 -7.880 1.00 0.37 C +ATOM 2387 O VAL A 155 -1.543 -14.883 -8.859 1.00 0.43 O +ATOM 2388 CB VAL A 155 -1.603 -13.201 -6.334 1.00 0.34 C +ATOM 2389 CG1 VAL A 155 -2.846 -12.793 -7.123 1.00 0.40 C +ATOM 2390 CG2 VAL A 155 -1.795 -12.845 -4.859 1.00 0.33 C +ATOM 2391 H VAL A 155 0.042 -14.524 -4.868 1.00 0.27 H +ATOM 2392 HA VAL A 155 -2.327 -15.210 -6.353 1.00 0.36 H +ATOM 2393 HB VAL A 155 -0.745 -12.684 -6.726 1.00 0.33 H +ATOM 2394 HG11 VAL A 155 -3.545 -13.615 -7.145 1.00 1.01 H +ATOM 2395 HG12 VAL A 155 -3.307 -11.940 -6.648 1.00 1.16 H +ATOM 2396 HG13 VAL A 155 -2.563 -12.535 -8.132 1.00 1.11 H +ATOM 2397 HG21 VAL A 155 -2.408 -13.596 -4.384 1.00 0.95 H +ATOM 2398 HG22 VAL A 155 -0.833 -12.803 -4.371 1.00 1.01 H +ATOM 2399 HG23 VAL A 155 -2.280 -11.883 -4.782 1.00 0.99 H +ATOM 2400 N ASP A 156 0.427 -15.311 -7.995 1.00 0.36 N +ATOM 2401 CA ASP A 156 0.995 -15.584 -9.343 1.00 0.42 C +ATOM 2402 C ASP A 156 0.302 -16.808 -9.951 1.00 0.48 C +ATOM 2403 O ASP A 156 0.300 -16.996 -11.151 1.00 0.53 O +ATOM 2404 CB ASP A 156 2.496 -15.851 -9.222 1.00 0.43 C +ATOM 2405 CG ASP A 156 2.915 -16.890 -10.265 1.00 0.49 C +ATOM 2406 OD1 ASP A 156 2.949 -16.545 -11.434 1.00 1.14 O +ATOM 2407 OD2 ASP A 156 3.194 -18.012 -9.876 1.00 1.21 O +ATOM 2408 H ASP A 156 0.995 -15.382 -7.204 1.00 0.34 H +ATOM 2409 HA ASP A 156 0.834 -14.725 -9.978 1.00 0.44 H +ATOM 2410 HB2 ASP A 156 3.039 -14.931 -9.389 1.00 0.44 H +ATOM 2411 HB3 ASP A 156 2.717 -16.225 -8.234 1.00 0.42 H +ATOM 2412 N LYS A 157 -0.291 -17.642 -9.134 1.00 0.48 N +ATOM 2413 CA LYS A 157 -0.982 -18.845 -9.674 1.00 0.56 C +ATOM 2414 C LYS A 157 -2.442 -18.846 -9.209 1.00 0.55 C +ATOM 2415 O LYS A 157 -3.049 -19.886 -9.051 1.00 0.58 O +ATOM 2416 CB LYS A 157 -0.285 -20.114 -9.172 1.00 0.58 C +ATOM 2417 CG LYS A 157 0.582 -19.784 -7.955 1.00 0.54 C +ATOM 2418 CD LYS A 157 1.120 -21.080 -7.345 1.00 0.64 C +ATOM 2419 CE LYS A 157 2.264 -20.755 -6.383 1.00 1.29 C +ATOM 2420 NZ LYS A 157 2.685 -21.998 -5.675 1.00 1.83 N +ATOM 2421 H LYS A 157 -0.284 -17.476 -8.170 1.00 0.46 H +ATOM 2422 HA LYS A 157 -0.951 -18.822 -10.753 1.00 0.63 H +ATOM 2423 HB2 LYS A 157 -1.028 -20.847 -8.896 1.00 0.69 H +ATOM 2424 HB3 LYS A 157 0.340 -20.514 -9.956 1.00 0.66 H +ATOM 2425 HG2 LYS A 157 1.408 -19.158 -8.260 1.00 0.53 H +ATOM 2426 HG3 LYS A 157 -0.013 -19.262 -7.220 1.00 0.60 H +ATOM 2427 HD2 LYS A 157 0.327 -21.580 -6.807 1.00 1.12 H +ATOM 2428 HD3 LYS A 157 1.484 -21.723 -8.131 1.00 1.19 H +ATOM 2429 HE2 LYS A 157 3.100 -20.357 -6.938 1.00 1.84 H +ATOM 2430 HE3 LYS A 157 1.931 -20.025 -5.660 1.00 1.93 H +ATOM 2431 HZ1 LYS A 157 1.842 -22.511 -5.346 1.00 2.25 H +ATOM 2432 HZ2 LYS A 157 3.228 -22.600 -6.325 1.00 2.22 H +ATOM 2433 HZ3 LYS A 157 3.280 -21.748 -4.859 1.00 2.27 H +ATOM 2434 N GLU A 158 -3.007 -17.684 -8.991 1.00 0.54 N +ATOM 2435 CA GLU A 158 -4.428 -17.606 -8.538 1.00 0.59 C +ATOM 2436 C GLU A 158 -4.544 -18.120 -7.102 1.00 0.57 C +ATOM 2437 O GLU A 158 -5.431 -18.882 -6.773 1.00 0.66 O +ATOM 2438 CB GLU A 158 -5.313 -18.450 -9.460 1.00 0.70 C +ATOM 2439 CG GLU A 158 -6.598 -17.683 -9.780 1.00 1.04 C +ATOM 2440 CD GLU A 158 -7.228 -18.251 -11.052 1.00 1.46 C +ATOM 2441 OE1 GLU A 158 -6.601 -19.092 -11.676 1.00 1.83 O +ATOM 2442 OE2 GLU A 158 -8.327 -17.836 -11.382 1.00 2.18 O +ATOM 2443 H GLU A 158 -2.494 -16.857 -9.125 1.00 0.53 H +ATOM 2444 HA GLU A 158 -4.756 -16.578 -8.575 1.00 0.59 H +ATOM 2445 HB2 GLU A 158 -4.781 -18.660 -10.377 1.00 0.88 H +ATOM 2446 HB3 GLU A 158 -5.564 -19.378 -8.969 1.00 0.90 H +ATOM 2447 HG2 GLU A 158 -7.291 -17.783 -8.957 1.00 1.44 H +ATOM 2448 HG3 GLU A 158 -6.366 -16.639 -9.931 1.00 1.37 H +ATOM 2449 N MET A 159 -3.654 -17.705 -6.242 1.00 0.52 N +ATOM 2450 CA MET A 159 -3.711 -18.162 -4.825 1.00 0.55 C +ATOM 2451 C MET A 159 -3.723 -16.938 -3.905 1.00 0.75 C +ATOM 2452 O MET A 159 -2.851 -16.760 -3.078 1.00 1.52 O +ATOM 2453 CB MET A 159 -2.485 -19.027 -4.518 1.00 0.53 C +ATOM 2454 CG MET A 159 -2.881 -20.152 -3.560 1.00 0.59 C +ATOM 2455 SD MET A 159 -1.398 -21.044 -3.030 1.00 1.03 S +ATOM 2456 CE MET A 159 -0.666 -19.707 -2.055 1.00 0.57 C +ATOM 2457 H MET A 159 -2.949 -17.088 -6.529 1.00 0.51 H +ATOM 2458 HA MET A 159 -4.609 -18.740 -4.668 1.00 0.61 H +ATOM 2459 HB2 MET A 159 -2.107 -19.452 -5.437 1.00 0.68 H +ATOM 2460 HB3 MET A 159 -1.720 -18.419 -4.061 1.00 0.72 H +ATOM 2461 HG2 MET A 159 -3.376 -19.732 -2.697 1.00 1.08 H +ATOM 2462 HG3 MET A 159 -3.551 -20.834 -4.063 1.00 0.98 H +ATOM 2463 HE1 MET A 159 -1.415 -18.960 -1.846 1.00 1.19 H +ATOM 2464 HE2 MET A 159 -0.289 -20.106 -1.123 1.00 1.13 H +ATOM 2465 HE3 MET A 159 0.143 -19.257 -2.613 1.00 1.15 H +ATOM 2466 N GLN A 160 -4.706 -16.090 -4.045 1.00 0.52 N +ATOM 2467 CA GLN A 160 -4.775 -14.874 -3.183 1.00 0.56 C +ATOM 2468 C GLN A 160 -5.326 -15.223 -1.793 1.00 0.61 C +ATOM 2469 O GLN A 160 -5.444 -14.366 -0.939 1.00 1.00 O +ATOM 2470 CB GLN A 160 -5.691 -13.840 -3.841 1.00 0.69 C +ATOM 2471 CG GLN A 160 -5.386 -13.764 -5.338 1.00 0.93 C +ATOM 2472 CD GLN A 160 -6.544 -14.373 -6.133 1.00 1.27 C +ATOM 2473 OE1 GLN A 160 -7.677 -14.349 -5.696 1.00 2.02 O +ATOM 2474 NE2 GLN A 160 -6.305 -14.918 -7.294 1.00 1.66 N +ATOM 2475 H GLN A 160 -5.398 -16.251 -4.720 1.00 0.97 H +ATOM 2476 HA GLN A 160 -3.785 -14.455 -3.079 1.00 0.59 H +ATOM 2477 HB2 GLN A 160 -6.721 -14.129 -3.695 1.00 0.99 H +ATOM 2478 HB3 GLN A 160 -5.521 -12.873 -3.392 1.00 0.86 H +ATOM 2479 HG2 GLN A 160 -5.254 -12.731 -5.625 1.00 1.19 H +ATOM 2480 HG3 GLN A 160 -4.481 -14.314 -5.548 1.00 1.37 H +ATOM 2481 HE21 GLN A 160 -5.392 -14.934 -7.648 1.00 2.05 H +ATOM 2482 HE22 GLN A 160 -7.039 -15.311 -7.811 1.00 2.01 H +ATOM 2483 N VAL A 161 -5.667 -16.463 -1.547 1.00 0.51 N +ATOM 2484 CA VAL A 161 -6.205 -16.829 -0.207 1.00 0.56 C +ATOM 2485 C VAL A 161 -5.217 -16.400 0.884 1.00 0.51 C +ATOM 2486 O VAL A 161 -5.591 -16.195 2.022 1.00 0.59 O +ATOM 2487 CB VAL A 161 -6.413 -18.343 -0.138 1.00 0.65 C +ATOM 2488 CG1 VAL A 161 -5.055 -19.047 -0.122 1.00 1.26 C +ATOM 2489 CG2 VAL A 161 -7.183 -18.693 1.138 1.00 1.22 C +ATOM 2490 H VAL A 161 -5.572 -17.150 -2.236 1.00 0.69 H +ATOM 2491 HA VAL A 161 -7.150 -16.330 -0.051 1.00 0.66 H +ATOM 2492 HB VAL A 161 -6.976 -18.668 -1.001 1.00 1.02 H +ATOM 2493 HG11 VAL A 161 -4.319 -18.421 -0.605 1.00 1.72 H +ATOM 2494 HG12 VAL A 161 -4.756 -19.229 0.900 1.00 1.74 H +ATOM 2495 HG13 VAL A 161 -5.130 -19.987 -0.648 1.00 1.88 H +ATOM 2496 HG21 VAL A 161 -7.355 -17.794 1.712 1.00 1.67 H +ATOM 2497 HG22 VAL A 161 -8.131 -19.139 0.875 1.00 1.83 H +ATOM 2498 HG23 VAL A 161 -6.607 -19.392 1.726 1.00 1.71 H +ATOM 2499 N LEU A 162 -3.960 -16.263 0.552 1.00 0.48 N +ATOM 2500 CA LEU A 162 -2.961 -15.849 1.578 1.00 0.58 C +ATOM 2501 C LEU A 162 -2.357 -14.483 1.213 1.00 0.49 C +ATOM 2502 O LEU A 162 -1.750 -13.832 2.038 1.00 0.52 O +ATOM 2503 CB LEU A 162 -1.848 -16.899 1.649 1.00 0.79 C +ATOM 2504 CG LEU A 162 -1.464 -17.155 3.110 1.00 0.67 C +ATOM 2505 CD1 LEU A 162 -1.076 -15.837 3.778 1.00 1.35 C +ATOM 2506 CD2 LEU A 162 -2.650 -17.767 3.860 1.00 1.10 C +ATOM 2507 H LEU A 162 -3.673 -16.433 -0.368 1.00 0.46 H +ATOM 2508 HA LEU A 162 -3.446 -15.779 2.540 1.00 0.68 H +ATOM 2509 HB2 LEU A 162 -2.195 -17.820 1.202 1.00 1.05 H +ATOM 2510 HB3 LEU A 162 -0.984 -16.542 1.109 1.00 1.10 H +ATOM 2511 HG LEU A 162 -0.625 -17.835 3.146 1.00 1.49 H +ATOM 2512 HD11 LEU A 162 -0.282 -15.368 3.216 1.00 1.97 H +ATOM 2513 HD12 LEU A 162 -1.934 -15.183 3.806 1.00 1.90 H +ATOM 2514 HD13 LEU A 162 -0.739 -16.032 4.785 1.00 1.84 H +ATOM 2515 HD21 LEU A 162 -3.320 -18.235 3.155 1.00 1.76 H +ATOM 2516 HD22 LEU A 162 -2.289 -18.507 4.560 1.00 1.57 H +ATOM 2517 HD23 LEU A 162 -3.175 -16.991 4.397 1.00 1.69 H +ATOM 2518 N VAL A 163 -2.507 -14.035 -0.009 1.00 0.44 N +ATOM 2519 CA VAL A 163 -1.924 -12.711 -0.380 1.00 0.38 C +ATOM 2520 C VAL A 163 -2.602 -11.606 0.435 1.00 0.32 C +ATOM 2521 O VAL A 163 -1.963 -10.672 0.883 1.00 0.29 O +ATOM 2522 CB VAL A 163 -2.111 -12.453 -1.881 1.00 0.39 C +ATOM 2523 CG1 VAL A 163 -3.533 -11.961 -2.167 1.00 0.45 C +ATOM 2524 CG2 VAL A 163 -1.109 -11.389 -2.334 1.00 0.44 C +ATOM 2525 H VAL A 163 -2.995 -14.561 -0.675 1.00 0.48 H +ATOM 2526 HA VAL A 163 -0.869 -12.718 -0.152 1.00 0.40 H +ATOM 2527 HB VAL A 163 -1.934 -13.369 -2.425 1.00 0.45 H +ATOM 2528 HG11 VAL A 163 -4.246 -12.634 -1.716 1.00 1.17 H +ATOM 2529 HG12 VAL A 163 -3.661 -10.971 -1.756 1.00 1.04 H +ATOM 2530 HG13 VAL A 163 -3.694 -11.929 -3.236 1.00 1.07 H +ATOM 2531 HG21 VAL A 163 -0.989 -10.653 -1.553 1.00 1.13 H +ATOM 2532 HG22 VAL A 163 -0.156 -11.856 -2.538 1.00 1.12 H +ATOM 2533 HG23 VAL A 163 -1.474 -10.909 -3.229 1.00 1.04 H +ATOM 2534 N SER A 164 -3.887 -11.703 0.640 1.00 0.34 N +ATOM 2535 CA SER A 164 -4.587 -10.656 1.434 1.00 0.33 C +ATOM 2536 C SER A 164 -4.022 -10.661 2.854 1.00 0.30 C +ATOM 2537 O SER A 164 -3.781 -9.626 3.445 1.00 0.28 O +ATOM 2538 CB SER A 164 -6.085 -10.958 1.477 1.00 0.43 C +ATOM 2539 OG SER A 164 -6.521 -10.980 2.830 1.00 1.07 O +ATOM 2540 H SER A 164 -4.388 -12.463 0.278 1.00 0.39 H +ATOM 2541 HA SER A 164 -4.424 -9.688 0.982 1.00 0.32 H +ATOM 2542 HB2 SER A 164 -6.624 -10.192 0.944 1.00 1.07 H +ATOM 2543 HB3 SER A 164 -6.272 -11.917 1.011 1.00 1.04 H +ATOM 2544 HG SER A 164 -6.499 -10.080 3.164 1.00 1.43 H +ATOM 2545 N ARG A 165 -3.802 -11.825 3.403 1.00 0.32 N +ATOM 2546 CA ARG A 165 -3.247 -11.907 4.781 1.00 0.31 C +ATOM 2547 C ARG A 165 -1.861 -11.262 4.799 1.00 0.27 C +ATOM 2548 O ARG A 165 -1.443 -10.692 5.787 1.00 0.29 O +ATOM 2549 CB ARG A 165 -3.130 -13.374 5.198 1.00 0.35 C +ATOM 2550 CG ARG A 165 -3.768 -13.566 6.575 1.00 0.38 C +ATOM 2551 CD ARG A 165 -5.151 -14.201 6.414 1.00 0.53 C +ATOM 2552 NE ARG A 165 -5.959 -13.950 7.641 1.00 1.04 N +ATOM 2553 CZ ARG A 165 -7.033 -14.654 7.869 1.00 1.45 C +ATOM 2554 NH1 ARG A 165 -8.108 -14.455 7.157 1.00 2.11 N +ATOM 2555 NH2 ARG A 165 -7.033 -15.558 8.810 1.00 2.15 N +ATOM 2556 H ARG A 165 -4.000 -12.646 2.906 1.00 0.35 H +ATOM 2557 HA ARG A 165 -3.898 -11.386 5.467 1.00 0.31 H +ATOM 2558 HB2 ARG A 165 -3.638 -13.995 4.474 1.00 0.44 H +ATOM 2559 HB3 ARG A 165 -2.088 -13.654 5.244 1.00 0.44 H +ATOM 2560 HG2 ARG A 165 -3.142 -14.211 7.175 1.00 0.49 H +ATOM 2561 HG3 ARG A 165 -3.869 -12.608 7.062 1.00 0.41 H +ATOM 2562 HD2 ARG A 165 -5.649 -13.767 5.560 1.00 0.79 H +ATOM 2563 HD3 ARG A 165 -5.043 -15.265 6.266 1.00 0.79 H +ATOM 2564 HE ARG A 165 -5.684 -13.256 8.275 1.00 1.65 H +ATOM 2565 HH11 ARG A 165 -8.108 -13.763 6.435 1.00 2.48 H +ATOM 2566 HH12 ARG A 165 -8.931 -14.995 7.332 1.00 2.66 H +ATOM 2567 HH21 ARG A 165 -6.209 -15.711 9.356 1.00 2.46 H +ATOM 2568 HH22 ARG A 165 -7.856 -16.098 8.986 1.00 2.77 H +ATOM 2569 N ILE A 166 -1.147 -11.346 3.710 1.00 0.26 N +ATOM 2570 CA ILE A 166 0.209 -10.736 3.659 1.00 0.24 C +ATOM 2571 C ILE A 166 0.078 -9.219 3.770 1.00 0.23 C +ATOM 2572 O ILE A 166 0.817 -8.571 4.484 1.00 0.25 O +ATOM 2573 CB ILE A 166 0.879 -11.092 2.332 1.00 0.26 C +ATOM 2574 CG1 ILE A 166 1.420 -12.521 2.402 1.00 0.36 C +ATOM 2575 CG2 ILE A 166 2.032 -10.123 2.064 1.00 0.38 C +ATOM 2576 CD1 ILE A 166 1.428 -13.131 1.000 1.00 0.32 C +ATOM 2577 H ILE A 166 -1.506 -11.808 2.924 1.00 0.27 H +ATOM 2578 HA ILE A 166 0.806 -11.110 4.478 1.00 0.26 H +ATOM 2579 HB ILE A 166 0.155 -11.018 1.533 1.00 0.26 H +ATOM 2580 HG12 ILE A 166 2.427 -12.506 2.795 1.00 0.49 H +ATOM 2581 HG13 ILE A 166 0.790 -13.114 3.047 1.00 0.50 H +ATOM 2582 HG21 ILE A 166 2.490 -9.841 3.000 1.00 0.94 H +ATOM 2583 HG22 ILE A 166 2.766 -10.603 1.434 1.00 1.12 H +ATOM 2584 HG23 ILE A 166 1.653 -9.242 1.568 1.00 1.12 H +ATOM 2585 HD11 ILE A 166 0.801 -14.010 0.986 1.00 1.03 H +ATOM 2586 HD12 ILE A 166 1.050 -12.409 0.292 1.00 1.04 H +ATOM 2587 HD13 ILE A 166 2.437 -13.405 0.731 1.00 1.05 H +ATOM 2588 N ALA A 167 -0.860 -8.647 3.067 1.00 0.23 N +ATOM 2589 CA ALA A 167 -1.042 -7.170 3.130 1.00 0.23 C +ATOM 2590 C ALA A 167 -1.438 -6.764 4.552 1.00 0.22 C +ATOM 2591 O ALA A 167 -1.064 -5.715 5.035 1.00 0.25 O +ATOM 2592 CB ALA A 167 -2.144 -6.752 2.155 1.00 0.25 C +ATOM 2593 H ALA A 167 -1.446 -9.191 2.496 1.00 0.25 H +ATOM 2594 HA ALA A 167 -0.117 -6.681 2.860 1.00 0.24 H +ATOM 2595 HB1 ALA A 167 -1.983 -7.237 1.203 1.00 1.07 H +ATOM 2596 HB2 ALA A 167 -3.105 -7.045 2.550 1.00 1.06 H +ATOM 2597 HB3 ALA A 167 -2.120 -5.681 2.021 1.00 1.01 H +ATOM 2598 N ALA A 168 -2.195 -7.585 5.226 1.00 0.22 N +ATOM 2599 CA ALA A 168 -2.613 -7.240 6.614 1.00 0.23 C +ATOM 2600 C ALA A 168 -1.391 -7.248 7.538 1.00 0.21 C +ATOM 2601 O ALA A 168 -1.274 -6.437 8.436 1.00 0.23 O +ATOM 2602 CB ALA A 168 -3.633 -8.268 7.110 1.00 0.27 C +ATOM 2603 H ALA A 168 -2.490 -8.428 4.819 1.00 0.24 H +ATOM 2604 HA ALA A 168 -3.061 -6.257 6.621 1.00 0.25 H +ATOM 2605 HB1 ALA A 168 -3.482 -9.203 6.591 1.00 0.96 H +ATOM 2606 HB2 ALA A 168 -3.504 -8.419 8.171 1.00 0.88 H +ATOM 2607 HB3 ALA A 168 -4.632 -7.905 6.916 1.00 0.97 H +ATOM 2608 N TRP A 169 -0.480 -8.160 7.327 1.00 0.24 N +ATOM 2609 CA TRP A 169 0.731 -8.220 8.195 1.00 0.25 C +ATOM 2610 C TRP A 169 1.570 -6.956 8.004 1.00 0.24 C +ATOM 2611 O TRP A 169 1.914 -6.280 8.951 1.00 0.30 O +ATOM 2612 CB TRP A 169 1.582 -9.430 7.812 1.00 0.28 C +ATOM 2613 CG TRP A 169 0.736 -10.660 7.753 1.00 0.27 C +ATOM 2614 CD1 TRP A 169 -0.462 -10.819 8.359 1.00 0.31 C +ATOM 2615 CD2 TRP A 169 1.014 -11.908 7.059 1.00 0.27 C +ATOM 2616 NE1 TRP A 169 -0.937 -12.090 8.080 1.00 0.33 N +ATOM 2617 CE2 TRP A 169 -0.060 -12.799 7.281 1.00 0.31 C +ATOM 2618 CE3 TRP A 169 2.087 -12.345 6.265 1.00 0.28 C +ATOM 2619 CZ2 TRP A 169 -0.067 -14.085 6.732 1.00 0.36 C +ATOM 2620 CZ3 TRP A 169 2.084 -13.634 5.714 1.00 0.33 C +ATOM 2621 CH2 TRP A 169 1.011 -14.503 5.947 1.00 0.36 C +ATOM 2622 H TRP A 169 -0.593 -8.805 6.599 1.00 0.28 H +ATOM 2623 HA TRP A 169 0.431 -8.302 9.228 1.00 0.28 H +ATOM 2624 HB2 TRP A 169 2.033 -9.260 6.846 1.00 0.32 H +ATOM 2625 HB3 TRP A 169 2.360 -9.566 8.549 1.00 0.33 H +ATOM 2626 HD1 TRP A 169 -0.965 -10.076 8.962 1.00 0.35 H +ATOM 2627 HE1 TRP A 169 -1.787 -12.459 8.400 1.00 0.38 H +ATOM 2628 HE3 TRP A 169 2.918 -11.684 6.076 1.00 0.28 H +ATOM 2629 HZ2 TRP A 169 -0.896 -14.751 6.913 1.00 0.41 H +ATOM 2630 HZ3 TRP A 169 2.916 -13.959 5.109 1.00 0.36 H +ATOM 2631 HH2 TRP A 169 1.017 -15.494 5.520 1.00 0.42 H +ATOM 2632 N MET A 170 1.906 -6.637 6.785 1.00 0.28 N +ATOM 2633 CA MET A 170 2.731 -5.422 6.528 1.00 0.31 C +ATOM 2634 C MET A 170 1.982 -4.172 7.000 1.00 0.30 C +ATOM 2635 O MET A 170 2.581 -3.175 7.345 1.00 0.35 O +ATOM 2636 CB MET A 170 3.012 -5.302 5.027 1.00 0.36 C +ATOM 2637 CG MET A 170 3.707 -6.570 4.522 1.00 0.36 C +ATOM 2638 SD MET A 170 3.945 -6.450 2.731 1.00 1.09 S +ATOM 2639 CE MET A 170 5.405 -5.379 2.761 1.00 0.30 C +ATOM 2640 H MET A 170 1.620 -7.201 6.038 1.00 0.36 H +ATOM 2641 HA MET A 170 3.666 -5.503 7.062 1.00 0.32 H +ATOM 2642 HB2 MET A 170 2.080 -5.170 4.498 1.00 0.39 H +ATOM 2643 HB3 MET A 170 3.650 -4.450 4.848 1.00 0.43 H +ATOM 2644 HG2 MET A 170 4.666 -6.674 5.007 1.00 0.61 H +ATOM 2645 HG3 MET A 170 3.097 -7.431 4.746 1.00 0.66 H +ATOM 2646 HE1 MET A 170 6.173 -5.831 3.367 1.00 0.98 H +ATOM 2647 HE2 MET A 170 5.775 -5.247 1.754 1.00 1.05 H +ATOM 2648 HE3 MET A 170 5.137 -4.418 3.180 1.00 0.98 H +ATOM 2649 N ALA A 171 0.678 -4.214 7.013 1.00 0.29 N +ATOM 2650 CA ALA A 171 -0.102 -3.023 7.457 1.00 0.30 C +ATOM 2651 C ALA A 171 0.117 -2.776 8.953 1.00 0.28 C +ATOM 2652 O ALA A 171 0.463 -1.688 9.366 1.00 0.30 O +ATOM 2653 CB ALA A 171 -1.590 -3.264 7.196 1.00 0.33 C +ATOM 2654 H ALA A 171 0.210 -5.026 6.727 1.00 0.29 H +ATOM 2655 HA ALA A 171 0.222 -2.156 6.901 1.00 0.33 H +ATOM 2656 HB1 ALA A 171 -1.761 -4.318 7.037 1.00 1.09 H +ATOM 2657 HB2 ALA A 171 -2.163 -2.930 8.049 1.00 1.09 H +ATOM 2658 HB3 ALA A 171 -1.895 -2.713 6.319 1.00 1.01 H +ATOM 2659 N THR A 172 -0.089 -3.773 9.768 1.00 0.30 N +ATOM 2660 CA THR A 172 0.100 -3.588 11.237 1.00 0.32 C +ATOM 2661 C THR A 172 1.579 -3.337 11.556 1.00 0.33 C +ATOM 2662 O THR A 172 1.910 -2.709 12.543 1.00 0.47 O +ATOM 2663 CB THR A 172 -0.370 -4.847 11.970 1.00 0.36 C +ATOM 2664 OG1 THR A 172 -1.741 -4.708 12.313 1.00 0.45 O +ATOM 2665 CG2 THR A 172 0.460 -5.039 13.240 1.00 0.47 C +ATOM 2666 H THR A 172 -0.373 -4.643 9.416 1.00 0.34 H +ATOM 2667 HA THR A 172 -0.485 -2.742 11.568 1.00 0.32 H +ATOM 2668 HB THR A 172 -0.243 -5.707 11.329 1.00 0.39 H +ATOM 2669 HG1 THR A 172 -2.246 -5.317 11.769 1.00 1.00 H +ATOM 2670 HG21 THR A 172 0.570 -4.091 13.745 1.00 1.05 H +ATOM 2671 HG22 THR A 172 -0.040 -5.738 13.894 1.00 1.13 H +ATOM 2672 HG23 THR A 172 1.434 -5.424 12.979 1.00 1.18 H +ATOM 2673 N TYR A 173 2.469 -3.821 10.735 1.00 0.30 N +ATOM 2674 CA TYR A 173 3.922 -3.610 11.003 1.00 0.32 C +ATOM 2675 C TYR A 173 4.385 -2.266 10.426 1.00 0.33 C +ATOM 2676 O TYR A 173 5.436 -1.768 10.774 1.00 0.48 O +ATOM 2677 CB TYR A 173 4.727 -4.740 10.360 1.00 0.35 C +ATOM 2678 CG TYR A 173 5.666 -5.329 11.385 1.00 0.49 C +ATOM 2679 CD1 TYR A 173 6.598 -4.508 12.033 1.00 1.21 C +ATOM 2680 CD2 TYR A 173 5.605 -6.693 11.689 1.00 1.37 C +ATOM 2681 CE1 TYR A 173 7.468 -5.053 12.984 1.00 1.40 C +ATOM 2682 CE2 TYR A 173 6.475 -7.239 12.641 1.00 1.68 C +ATOM 2683 CZ TYR A 173 7.406 -6.418 13.288 1.00 1.30 C +ATOM 2684 OH TYR A 173 8.264 -6.955 14.227 1.00 1.73 O +ATOM 2685 H TYR A 173 2.185 -4.325 9.947 1.00 0.38 H +ATOM 2686 HA TYR A 173 4.091 -3.616 12.069 1.00 0.32 H +ATOM 2687 HB2 TYR A 173 4.053 -5.506 10.006 1.00 0.51 H +ATOM 2688 HB3 TYR A 173 5.298 -4.350 9.531 1.00 0.56 H +ATOM 2689 HD1 TYR A 173 6.645 -3.455 11.798 1.00 1.98 H +ATOM 2690 HD2 TYR A 173 4.886 -7.326 11.189 1.00 2.07 H +ATOM 2691 HE1 TYR A 173 8.187 -4.421 13.483 1.00 2.12 H +ATOM 2692 HE2 TYR A 173 6.427 -8.292 12.875 1.00 2.51 H +ATOM 2693 HH TYR A 173 8.074 -6.543 15.072 1.00 2.06 H +ATOM 2694 N LEU A 174 3.621 -1.672 9.550 1.00 0.28 N +ATOM 2695 CA LEU A 174 4.040 -0.366 8.967 1.00 0.30 C +ATOM 2696 C LEU A 174 3.405 0.784 9.759 1.00 0.33 C +ATOM 2697 O LEU A 174 3.902 1.892 9.764 1.00 0.39 O +ATOM 2698 CB LEU A 174 3.581 -0.294 7.508 1.00 0.34 C +ATOM 2699 CG LEU A 174 4.420 0.740 6.754 1.00 0.44 C +ATOM 2700 CD1 LEU A 174 4.342 0.464 5.251 1.00 0.49 C +ATOM 2701 CD2 LEU A 174 3.878 2.142 7.040 1.00 0.67 C +ATOM 2702 H LEU A 174 2.776 -2.081 9.272 1.00 0.33 H +ATOM 2703 HA LEU A 174 5.116 -0.282 9.010 1.00 0.33 H +ATOM 2704 HB2 LEU A 174 3.703 -1.262 7.044 1.00 0.53 H +ATOM 2705 HB3 LEU A 174 2.543 -0.006 7.471 1.00 0.47 H +ATOM 2706 HG LEU A 174 5.448 0.675 7.078 1.00 0.66 H +ATOM 2707 HD11 LEU A 174 4.290 -0.601 5.082 1.00 1.16 H +ATOM 2708 HD12 LEU A 174 3.460 0.937 4.843 1.00 1.12 H +ATOM 2709 HD13 LEU A 174 5.220 0.863 4.766 1.00 1.05 H +ATOM 2710 HD21 LEU A 174 2.994 2.068 7.656 1.00 1.46 H +ATOM 2711 HD22 LEU A 174 4.629 2.720 7.557 1.00 1.14 H +ATOM 2712 HD23 LEU A 174 3.627 2.628 6.109 1.00 1.14 H +ATOM 2713 N ASN A 175 2.307 0.535 10.425 1.00 0.33 N +ATOM 2714 CA ASN A 175 1.649 1.623 11.203 1.00 0.38 C +ATOM 2715 C ASN A 175 1.999 1.506 12.690 1.00 0.41 C +ATOM 2716 O ASN A 175 2.103 2.495 13.388 1.00 0.60 O +ATOM 2717 CB ASN A 175 0.130 1.511 11.035 1.00 0.41 C +ATOM 2718 CG ASN A 175 -0.495 2.909 10.994 1.00 0.58 C +ATOM 2719 OD1 ASN A 175 0.200 3.900 10.886 1.00 1.18 O +ATOM 2720 ND2 ASN A 175 -1.792 3.031 11.077 1.00 1.14 N +ATOM 2721 H ASN A 175 1.914 -0.361 10.409 1.00 0.32 H +ATOM 2722 HA ASN A 175 1.981 2.579 10.831 1.00 0.44 H +ATOM 2723 HB2 ASN A 175 -0.091 0.989 10.115 1.00 0.37 H +ATOM 2724 HB3 ASN A 175 -0.282 0.961 11.867 1.00 0.43 H +ATOM 2725 HD21 ASN A 175 -2.355 2.233 11.164 1.00 1.79 H +ATOM 2726 HD22 ASN A 175 -2.203 3.920 11.052 1.00 1.20 H +ATOM 2727 N ASP A 176 2.173 0.312 13.188 1.00 0.51 N +ATOM 2728 CA ASP A 176 2.504 0.155 14.635 1.00 0.55 C +ATOM 2729 C ASP A 176 4.008 -0.081 14.835 1.00 0.51 C +ATOM 2730 O ASP A 176 4.441 -0.419 15.919 1.00 0.77 O +ATOM 2731 CB ASP A 176 1.730 -1.037 15.200 1.00 0.89 C +ATOM 2732 CG ASP A 176 0.667 -0.541 16.182 1.00 1.35 C +ATOM 2733 OD1 ASP A 176 -0.358 -0.064 15.724 1.00 1.82 O +ATOM 2734 OD2 ASP A 176 0.896 -0.647 17.376 1.00 1.98 O +ATOM 2735 H ASP A 176 2.079 -0.480 12.616 1.00 0.70 H +ATOM 2736 HA ASP A 176 2.211 1.049 15.165 1.00 0.62 H +ATOM 2737 HB2 ASP A 176 1.253 -1.571 14.391 1.00 0.97 H +ATOM 2738 HB3 ASP A 176 2.413 -1.697 15.714 1.00 1.08 H +ATOM 2739 N HIS A 177 4.812 0.087 13.819 1.00 0.60 N +ATOM 2740 CA HIS A 177 6.276 -0.141 14.000 1.00 0.66 C +ATOM 2741 C HIS A 177 7.077 0.809 13.106 1.00 0.65 C +ATOM 2742 O HIS A 177 7.956 1.513 13.564 1.00 1.19 O +ATOM 2743 CB HIS A 177 6.613 -1.587 13.629 1.00 1.02 C +ATOM 2744 CG HIS A 177 6.659 -2.426 14.875 1.00 0.94 C +ATOM 2745 ND1 HIS A 177 7.846 -2.932 15.382 1.00 1.22 N +ATOM 2746 CD2 HIS A 177 5.673 -2.858 15.726 1.00 0.86 C +ATOM 2747 CE1 HIS A 177 7.546 -3.633 16.491 1.00 1.18 C +ATOM 2748 NE2 HIS A 177 6.235 -3.620 16.746 1.00 0.90 N +ATOM 2749 H HIS A 177 4.461 0.359 12.948 1.00 0.84 H +ATOM 2750 HA HIS A 177 6.540 0.032 15.033 1.00 0.66 H +ATOM 2751 HB2 HIS A 177 5.856 -1.973 12.963 1.00 1.18 H +ATOM 2752 HB3 HIS A 177 7.574 -1.618 13.138 1.00 1.28 H +ATOM 2753 HD1 HIS A 177 8.740 -2.803 15.002 1.00 1.51 H +ATOM 2754 HD2 HIS A 177 4.621 -2.638 15.620 1.00 1.02 H +ATOM 2755 HE1 HIS A 177 8.277 -4.144 17.100 1.00 1.47 H +ATOM 2756 N LEU A 178 6.790 0.832 11.834 1.00 0.50 N +ATOM 2757 CA LEU A 178 7.544 1.732 10.914 1.00 0.41 C +ATOM 2758 C LEU A 178 6.990 3.160 10.975 1.00 0.37 C +ATOM 2759 O LEU A 178 7.615 4.088 10.503 1.00 0.44 O +ATOM 2760 CB LEU A 178 7.420 1.212 9.480 1.00 0.45 C +ATOM 2761 CG LEU A 178 7.884 -0.243 9.416 1.00 0.41 C +ATOM 2762 CD1 LEU A 178 7.549 -0.821 8.040 1.00 0.44 C +ATOM 2763 CD2 LEU A 178 9.397 -0.306 9.641 1.00 0.42 C +ATOM 2764 H LEU A 178 6.082 0.253 11.482 1.00 0.88 H +ATOM 2765 HA LEU A 178 8.585 1.741 11.198 1.00 0.44 H +ATOM 2766 HB2 LEU A 178 6.389 1.275 9.163 1.00 0.55 H +ATOM 2767 HB3 LEU A 178 8.035 1.812 8.826 1.00 0.48 H +ATOM 2768 HG LEU A 178 7.380 -0.816 10.180 1.00 0.46 H +ATOM 2769 HD11 LEU A 178 7.316 -0.015 7.358 1.00 1.12 H +ATOM 2770 HD12 LEU A 178 8.396 -1.376 7.665 1.00 1.10 H +ATOM 2771 HD13 LEU A 178 6.696 -1.478 8.124 1.00 1.06 H +ATOM 2772 HD21 LEU A 178 9.750 0.655 9.985 1.00 0.94 H +ATOM 2773 HD22 LEU A 178 9.620 -1.058 10.384 1.00 0.91 H +ATOM 2774 HD23 LEU A 178 9.890 -0.559 8.714 1.00 0.95 H +ATOM 2775 N GLU A 179 5.827 3.357 11.539 1.00 0.33 N +ATOM 2776 CA GLU A 179 5.267 4.738 11.601 1.00 0.36 C +ATOM 2777 C GLU A 179 5.996 5.574 12.667 1.00 0.34 C +ATOM 2778 O GLU A 179 6.478 6.643 12.362 1.00 0.37 O +ATOM 2779 CB GLU A 179 3.769 4.681 11.911 1.00 0.44 C +ATOM 2780 CG GLU A 179 2.993 5.422 10.821 1.00 1.07 C +ATOM 2781 CD GLU A 179 1.833 6.193 11.454 1.00 1.55 C +ATOM 2782 OE1 GLU A 179 1.390 5.790 12.517 1.00 2.04 O +ATOM 2783 OE2 GLU A 179 1.408 7.173 10.865 1.00 2.33 O +ATOM 2784 H GLU A 179 5.323 2.606 11.913 1.00 0.37 H +ATOM 2785 HA GLU A 179 5.405 5.210 10.639 1.00 0.39 H +ATOM 2786 HB2 GLU A 179 3.448 3.650 11.946 1.00 0.74 H +ATOM 2787 HB3 GLU A 179 3.582 5.150 12.865 1.00 0.84 H +ATOM 2788 HG2 GLU A 179 3.653 6.113 10.316 1.00 1.86 H +ATOM 2789 HG3 GLU A 179 2.604 4.710 10.109 1.00 1.55 H +ATOM 2790 N PRO A 180 6.059 5.082 13.885 1.00 0.33 N +ATOM 2791 CA PRO A 180 6.727 5.792 14.989 1.00 0.34 C +ATOM 2792 C PRO A 180 8.154 6.191 14.598 1.00 0.30 C +ATOM 2793 O PRO A 180 8.610 7.270 14.916 1.00 0.31 O +ATOM 2794 CB PRO A 180 6.771 4.811 16.156 1.00 0.41 C +ATOM 2795 CG PRO A 180 5.614 3.836 15.838 1.00 0.55 C +ATOM 2796 CD PRO A 180 5.478 3.780 14.297 1.00 0.37 C +ATOM 2797 HA PRO A 180 6.162 6.669 15.268 1.00 0.37 H +ATOM 2798 HB2 PRO A 180 7.721 4.292 16.180 1.00 0.64 H +ATOM 2799 HB3 PRO A 180 6.583 5.316 17.089 1.00 0.63 H +ATOM 2800 HG2 PRO A 180 5.844 2.853 16.227 1.00 0.89 H +ATOM 2801 HG3 PRO A 180 4.695 4.200 16.270 1.00 0.91 H +ATOM 2802 HD2 PRO A 180 6.047 2.952 13.893 1.00 0.37 H +ATOM 2803 HD3 PRO A 180 4.444 3.716 14.014 1.00 0.47 H +ATOM 2804 N TRP A 181 8.865 5.331 13.922 1.00 0.33 N +ATOM 2805 CA TRP A 181 10.263 5.673 13.527 1.00 0.32 C +ATOM 2806 C TRP A 181 10.254 6.557 12.279 1.00 0.30 C +ATOM 2807 O TRP A 181 11.139 7.364 12.074 1.00 0.32 O +ATOM 2808 CB TRP A 181 11.039 4.389 13.227 1.00 0.32 C +ATOM 2809 CG TRP A 181 12.447 4.733 12.860 1.00 0.40 C +ATOM 2810 CD1 TRP A 181 13.514 4.611 13.682 1.00 1.31 C +ATOM 2811 CD2 TRP A 181 12.960 5.254 11.597 1.00 0.41 C +ATOM 2812 NE1 TRP A 181 14.649 5.022 13.006 1.00 1.37 N +ATOM 2813 CE2 TRP A 181 14.359 5.427 11.718 1.00 0.48 C +ATOM 2814 CE3 TRP A 181 12.354 5.588 10.372 1.00 1.40 C +ATOM 2815 CZ2 TRP A 181 15.130 5.916 10.661 1.00 0.35 C +ATOM 2816 CZ3 TRP A 181 13.127 6.080 9.307 1.00 1.76 C +ATOM 2817 CH2 TRP A 181 14.512 6.243 9.452 1.00 1.09 C +ATOM 2818 H TRP A 181 8.485 4.461 13.678 1.00 0.40 H +ATOM 2819 HA TRP A 181 10.745 6.201 14.336 1.00 0.34 H +ATOM 2820 HB2 TRP A 181 11.039 3.756 14.102 1.00 0.46 H +ATOM 2821 HB3 TRP A 181 10.569 3.868 12.406 1.00 0.49 H +ATOM 2822 HD1 TRP A 181 13.486 4.251 14.699 1.00 1.95 H +ATOM 2823 HE1 TRP A 181 15.555 5.031 13.377 1.00 2.00 H +ATOM 2824 HE3 TRP A 181 11.288 5.466 10.250 1.00 1.93 H +ATOM 2825 HZ2 TRP A 181 16.196 6.041 10.777 1.00 0.69 H +ATOM 2826 HZ3 TRP A 181 12.652 6.333 8.371 1.00 2.56 H +ATOM 2827 HH2 TRP A 181 15.101 6.621 8.629 1.00 1.37 H +ATOM 2828 N ILE A 182 9.267 6.411 11.442 1.00 0.31 N +ATOM 2829 CA ILE A 182 9.210 7.243 10.208 1.00 0.31 C +ATOM 2830 C ILE A 182 9.007 8.712 10.585 1.00 0.33 C +ATOM 2831 O ILE A 182 9.451 9.606 9.893 1.00 0.52 O +ATOM 2832 CB ILE A 182 8.044 6.774 9.337 1.00 0.32 C +ATOM 2833 CG1 ILE A 182 8.517 5.639 8.427 1.00 0.29 C +ATOM 2834 CG2 ILE A 182 7.543 7.939 8.481 1.00 0.37 C +ATOM 2835 CD1 ILE A 182 7.307 4.956 7.789 1.00 0.34 C +ATOM 2836 H ILE A 182 8.564 5.754 11.624 1.00 0.34 H +ATOM 2837 HA ILE A 182 10.133 7.136 9.659 1.00 0.31 H +ATOM 2838 HB ILE A 182 7.241 6.421 9.969 1.00 0.35 H +ATOM 2839 HG12 ILE A 182 9.153 6.042 7.654 1.00 0.32 H +ATOM 2840 HG13 ILE A 182 9.070 4.917 9.009 1.00 0.30 H +ATOM 2841 HG21 ILE A 182 8.384 8.531 8.151 1.00 1.10 H +ATOM 2842 HG22 ILE A 182 7.015 7.553 7.622 1.00 1.08 H +ATOM 2843 HG23 ILE A 182 6.877 8.556 9.067 1.00 1.09 H +ATOM 2844 HD11 ILE A 182 6.458 5.622 7.824 1.00 1.05 H +ATOM 2845 HD12 ILE A 182 7.533 4.714 6.761 1.00 1.01 H +ATOM 2846 HD13 ILE A 182 7.077 4.051 8.330 1.00 1.14 H +ATOM 2847 N GLN A 183 8.341 8.965 11.675 1.00 0.32 N +ATOM 2848 CA GLN A 183 8.106 10.372 12.101 1.00 0.33 C +ATOM 2849 C GLN A 183 9.226 10.812 13.043 1.00 0.34 C +ATOM 2850 O GLN A 183 9.605 11.966 13.082 1.00 0.43 O +ATOM 2851 CB GLN A 183 6.765 10.455 12.836 1.00 0.37 C +ATOM 2852 CG GLN A 183 6.082 11.785 12.509 1.00 0.41 C +ATOM 2853 CD GLN A 183 4.572 11.570 12.397 1.00 0.90 C +ATOM 2854 OE1 GLN A 183 4.126 10.590 11.834 1.00 1.67 O +ATOM 2855 NE2 GLN A 183 3.760 12.451 12.913 1.00 1.46 N +ATOM 2856 H GLN A 183 7.995 8.229 12.217 1.00 0.45 H +ATOM 2857 HA GLN A 183 8.086 11.016 11.233 1.00 0.33 H +ATOM 2858 HB2 GLN A 183 6.132 9.636 12.523 1.00 0.38 H +ATOM 2859 HB3 GLN A 183 6.933 10.389 13.901 1.00 0.38 H +ATOM 2860 HG2 GLN A 183 6.288 12.497 13.295 1.00 0.70 H +ATOM 2861 HG3 GLN A 183 6.461 12.163 11.572 1.00 0.71 H +ATOM 2862 HE21 GLN A 183 4.119 13.242 13.367 1.00 1.95 H +ATOM 2863 HE22 GLN A 183 2.791 12.323 12.847 1.00 1.83 H +ATOM 2864 N GLU A 184 9.758 9.896 13.800 1.00 0.37 N +ATOM 2865 CA GLU A 184 10.854 10.248 14.743 1.00 0.41 C +ATOM 2866 C GLU A 184 12.150 10.512 13.965 1.00 0.38 C +ATOM 2867 O GLU A 184 13.067 11.128 14.471 1.00 0.48 O +ATOM 2868 CB GLU A 184 11.071 9.087 15.716 1.00 0.51 C +ATOM 2869 CG GLU A 184 12.481 9.169 16.304 1.00 0.67 C +ATOM 2870 CD GLU A 184 12.590 8.228 17.505 1.00 1.14 C +ATOM 2871 OE1 GLU A 184 11.631 7.522 17.768 1.00 1.73 O +ATOM 2872 OE2 GLU A 184 13.631 8.230 18.142 1.00 1.75 O +ATOM 2873 H GLU A 184 9.436 8.974 13.750 1.00 0.43 H +ATOM 2874 HA GLU A 184 10.581 11.134 15.297 1.00 0.47 H +ATOM 2875 HB2 GLU A 184 10.342 9.146 16.513 1.00 0.59 H +ATOM 2876 HB3 GLU A 184 10.955 8.151 15.191 1.00 0.47 H +ATOM 2877 HG2 GLU A 184 13.201 8.880 15.552 1.00 1.01 H +ATOM 2878 HG3 GLU A 184 12.680 10.181 16.623 1.00 0.83 H +ATOM 2879 N ASN A 185 12.240 10.054 12.742 1.00 0.37 N +ATOM 2880 CA ASN A 185 13.482 10.287 11.954 1.00 0.46 C +ATOM 2881 C ASN A 185 13.187 11.203 10.760 1.00 0.57 C +ATOM 2882 O ASN A 185 13.900 11.196 9.776 1.00 0.82 O +ATOM 2883 CB ASN A 185 14.018 8.947 11.446 1.00 0.57 C +ATOM 2884 CG ASN A 185 15.458 8.757 11.929 1.00 1.17 C +ATOM 2885 OD1 ASN A 185 16.393 8.941 11.175 1.00 2.06 O +ATOM 2886 ND2 ASN A 185 15.677 8.394 13.163 1.00 1.68 N +ATOM 2887 H ASN A 185 11.496 9.558 12.344 1.00 0.40 H +ATOM 2888 HA ASN A 185 14.224 10.752 12.585 1.00 0.48 H +ATOM 2889 HB2 ASN A 185 13.402 8.146 11.827 1.00 1.21 H +ATOM 2890 HB3 ASN A 185 13.998 8.936 10.367 1.00 1.02 H +ATOM 2891 HD21 ASN A 185 14.924 8.245 13.771 1.00 1.85 H +ATOM 2892 HD22 ASN A 185 16.596 8.269 13.481 1.00 2.35 H +ATOM 2893 N GLY A 186 12.149 11.995 10.832 1.00 0.52 N +ATOM 2894 CA GLY A 186 11.835 12.904 9.692 1.00 0.67 C +ATOM 2895 C GLY A 186 10.359 12.779 9.304 1.00 0.79 C +ATOM 2896 O GLY A 186 9.528 13.556 9.729 1.00 1.60 O +ATOM 2897 H GLY A 186 11.583 11.996 11.632 1.00 0.49 H +ATOM 2898 HA2 GLY A 186 12.044 13.924 9.980 1.00 0.72 H +ATOM 2899 HA3 GLY A 186 12.448 12.639 8.844 1.00 0.69 H +ATOM 2900 N GLY A 187 10.027 11.809 8.495 1.00 0.29 N +ATOM 2901 CA GLY A 187 8.607 11.639 8.076 1.00 0.29 C +ATOM 2902 C GLY A 187 8.557 11.075 6.653 1.00 0.27 C +ATOM 2903 O GLY A 187 9.540 11.079 5.935 1.00 0.27 O +ATOM 2904 H GLY A 187 10.712 11.194 8.162 1.00 0.80 H +ATOM 2905 HA2 GLY A 187 8.109 10.959 8.752 1.00 0.29 H +ATOM 2906 HA3 GLY A 187 8.109 12.596 8.097 1.00 0.37 H +ATOM 2907 N TRP A 188 7.417 10.592 6.239 1.00 0.27 N +ATOM 2908 CA TRP A 188 7.298 10.028 4.864 1.00 0.28 C +ATOM 2909 C TRP A 188 7.745 11.071 3.833 1.00 0.29 C +ATOM 2910 O TRP A 188 8.134 10.735 2.734 1.00 0.31 O +ATOM 2911 CB TRP A 188 5.841 9.647 4.593 1.00 0.30 C +ATOM 2912 CG TRP A 188 5.561 8.287 5.148 1.00 0.33 C +ATOM 2913 CD1 TRP A 188 4.916 8.042 6.311 1.00 0.45 C +ATOM 2914 CD2 TRP A 188 5.898 6.984 4.585 1.00 0.34 C +ATOM 2915 NE1 TRP A 188 4.834 6.674 6.498 1.00 0.50 N +ATOM 2916 CE2 TRP A 188 5.426 5.980 5.462 1.00 0.44 C +ATOM 2917 CE3 TRP A 188 6.562 6.580 3.411 1.00 0.35 C +ATOM 2918 CZ2 TRP A 188 5.603 4.624 5.184 1.00 0.51 C +ATOM 2919 CZ3 TRP A 188 6.741 5.216 3.130 1.00 0.46 C +ATOM 2920 CH2 TRP A 188 6.263 4.241 4.014 1.00 0.51 C +ATOM 2921 H TRP A 188 6.638 10.600 6.834 1.00 0.28 H +ATOM 2922 HA TRP A 188 7.920 9.150 4.780 1.00 0.28 H +ATOM 2923 HB2 TRP A 188 5.188 10.368 5.063 1.00 0.34 H +ATOM 2924 HB3 TRP A 188 5.663 9.644 3.528 1.00 0.30 H +ATOM 2925 HD1 TRP A 188 4.527 8.792 6.984 1.00 0.53 H +ATOM 2926 HE1 TRP A 188 4.413 6.233 7.265 1.00 0.60 H +ATOM 2927 HE3 TRP A 188 6.936 7.321 2.723 1.00 0.35 H +ATOM 2928 HZ2 TRP A 188 5.233 3.876 5.869 1.00 0.60 H +ATOM 2929 HZ3 TRP A 188 7.250 4.917 2.226 1.00 0.53 H +ATOM 2930 HH2 TRP A 188 6.404 3.195 3.791 1.00 0.60 H +ATOM 2931 N ASP A 189 7.690 12.332 4.173 1.00 0.33 N +ATOM 2932 CA ASP A 189 8.111 13.383 3.204 1.00 0.36 C +ATOM 2933 C ASP A 189 9.622 13.295 2.969 1.00 0.34 C +ATOM 2934 O ASP A 189 10.075 13.120 1.856 1.00 0.36 O +ATOM 2935 CB ASP A 189 7.763 14.763 3.765 1.00 0.41 C +ATOM 2936 CG ASP A 189 6.338 14.743 4.323 1.00 1.49 C +ATOM 2937 OD1 ASP A 189 5.448 14.322 3.604 1.00 2.32 O +ATOM 2938 OD2 ASP A 189 6.163 15.149 5.460 1.00 2.19 O +ATOM 2939 H ASP A 189 7.371 12.589 5.063 1.00 0.36 H +ATOM 2940 HA ASP A 189 7.593 13.236 2.268 1.00 0.37 H +ATOM 2941 HB2 ASP A 189 8.456 15.016 4.555 1.00 1.14 H +ATOM 2942 HB3 ASP A 189 7.829 15.499 2.978 1.00 0.99 H +ATOM 2943 N THR A 190 10.404 13.418 4.007 1.00 0.34 N +ATOM 2944 CA THR A 190 11.884 13.343 3.840 1.00 0.35 C +ATOM 2945 C THR A 190 12.254 12.044 3.125 1.00 0.31 C +ATOM 2946 O THR A 190 13.046 12.034 2.204 1.00 0.35 O +ATOM 2947 CB THR A 190 12.556 13.374 5.215 1.00 0.38 C +ATOM 2948 OG1 THR A 190 12.966 14.702 5.511 1.00 0.64 O +ATOM 2949 CG2 THR A 190 13.774 12.449 5.214 1.00 0.47 C +ATOM 2950 H THR A 190 10.018 13.561 4.897 1.00 0.35 H +ATOM 2951 HA THR A 190 12.223 14.186 3.254 1.00 0.39 H +ATOM 2952 HB THR A 190 11.858 13.037 5.963 1.00 0.42 H +ATOM 2953 HG1 THR A 190 12.178 15.234 5.640 1.00 0.87 H +ATOM 2954 HG21 THR A 190 14.363 12.629 4.326 1.00 1.07 H +ATOM 2955 HG22 THR A 190 14.375 12.644 6.090 1.00 1.19 H +ATOM 2956 HG23 THR A 190 13.445 11.420 5.225 1.00 1.12 H +ATOM 2957 N PHE A 191 11.689 10.944 3.542 1.00 0.28 N +ATOM 2958 CA PHE A 191 12.014 9.649 2.882 1.00 0.28 C +ATOM 2959 C PHE A 191 11.716 9.751 1.386 1.00 0.29 C +ATOM 2960 O PHE A 191 12.440 9.228 0.563 1.00 0.30 O +ATOM 2961 CB PHE A 191 11.172 8.537 3.500 1.00 0.33 C +ATOM 2962 CG PHE A 191 11.138 7.350 2.569 1.00 0.29 C +ATOM 2963 CD1 PHE A 191 12.321 6.881 1.984 1.00 1.19 C +ATOM 2964 CD2 PHE A 191 9.922 6.717 2.291 1.00 1.30 C +ATOM 2965 CE1 PHE A 191 12.286 5.780 1.121 1.00 1.19 C +ATOM 2966 CE2 PHE A 191 9.888 5.617 1.428 1.00 1.34 C +ATOM 2967 CZ PHE A 191 11.069 5.148 0.843 1.00 0.43 C +ATOM 2968 H PHE A 191 11.052 10.970 4.288 1.00 0.29 H +ATOM 2969 HA PHE A 191 13.062 9.428 3.024 1.00 0.31 H +ATOM 2970 HB2 PHE A 191 11.608 8.243 4.440 1.00 0.42 H +ATOM 2971 HB3 PHE A 191 10.167 8.894 3.664 1.00 0.38 H +ATOM 2972 HD1 PHE A 191 13.260 7.369 2.199 1.00 2.12 H +ATOM 2973 HD2 PHE A 191 9.010 7.079 2.742 1.00 2.21 H +ATOM 2974 HE1 PHE A 191 13.198 5.418 0.669 1.00 2.10 H +ATOM 2975 HE2 PHE A 191 8.950 5.129 1.215 1.00 2.27 H +ATOM 2976 HZ PHE A 191 11.040 4.299 0.177 1.00 0.53 H +ATOM 2977 N VAL A 192 10.660 10.425 1.025 1.00 0.32 N +ATOM 2978 CA VAL A 192 10.329 10.561 -0.418 1.00 0.38 C +ATOM 2979 C VAL A 192 11.468 11.313 -1.103 1.00 0.42 C +ATOM 2980 O VAL A 192 11.842 11.020 -2.219 1.00 0.51 O +ATOM 2981 CB VAL A 192 9.025 11.346 -0.574 1.00 0.43 C +ATOM 2982 CG1 VAL A 192 8.889 11.830 -2.019 1.00 0.52 C +ATOM 2983 CG2 VAL A 192 7.841 10.440 -0.228 1.00 0.43 C +ATOM 2984 H VAL A 192 10.091 10.845 1.702 1.00 0.32 H +ATOM 2985 HA VAL A 192 10.221 9.582 -0.862 1.00 0.38 H +ATOM 2986 HB VAL A 192 9.036 12.198 0.091 1.00 0.46 H +ATOM 2987 HG11 VAL A 192 9.200 11.045 -2.693 1.00 1.00 H +ATOM 2988 HG12 VAL A 192 7.859 12.088 -2.217 1.00 1.20 H +ATOM 2989 HG13 VAL A 192 9.513 12.700 -2.167 1.00 1.22 H +ATOM 2990 HG21 VAL A 192 8.200 9.444 -0.013 1.00 1.11 H +ATOM 2991 HG22 VAL A 192 7.329 10.832 0.638 1.00 1.03 H +ATOM 2992 HG23 VAL A 192 7.158 10.404 -1.064 1.00 1.02 H +ATOM 2993 N GLU A 193 12.022 12.282 -0.431 1.00 0.40 N +ATOM 2994 CA GLU A 193 13.143 13.065 -1.021 1.00 0.47 C +ATOM 2995 C GLU A 193 14.399 12.190 -1.106 1.00 0.45 C +ATOM 2996 O GLU A 193 15.278 12.429 -1.910 1.00 0.53 O +ATOM 2997 CB GLU A 193 13.429 14.275 -0.127 1.00 0.50 C +ATOM 2998 CG GLU A 193 12.677 15.495 -0.660 1.00 1.00 C +ATOM 2999 CD GLU A 193 13.522 16.190 -1.729 1.00 1.46 C +ATOM 3000 OE1 GLU A 193 14.023 15.499 -2.601 1.00 1.94 O +ATOM 3001 OE2 GLU A 193 13.653 17.400 -1.658 1.00 2.14 O +ATOM 3002 H GLU A 193 11.702 12.495 0.470 1.00 0.39 H +ATOM 3003 HA GLU A 193 12.868 13.403 -2.008 1.00 0.52 H +ATOM 3004 HB2 GLU A 193 13.102 14.061 0.881 1.00 0.71 H +ATOM 3005 HB3 GLU A 193 14.489 14.479 -0.126 1.00 0.81 H +ATOM 3006 HG2 GLU A 193 11.738 15.179 -1.089 1.00 1.44 H +ATOM 3007 HG3 GLU A 193 12.489 16.183 0.151 1.00 1.42 H +ATOM 3008 N LEU A 194 14.495 11.181 -0.280 1.00 0.38 N +ATOM 3009 CA LEU A 194 15.697 10.300 -0.312 1.00 0.40 C +ATOM 3010 C LEU A 194 15.628 9.339 -1.505 1.00 0.42 C +ATOM 3011 O LEU A 194 16.437 9.405 -2.409 1.00 0.61 O +ATOM 3012 CB LEU A 194 15.764 9.494 0.988 1.00 0.37 C +ATOM 3013 CG LEU A 194 16.880 10.049 1.874 1.00 0.58 C +ATOM 3014 CD1 LEU A 194 16.486 9.903 3.344 1.00 0.72 C +ATOM 3015 CD2 LEU A 194 18.171 9.271 1.613 1.00 1.06 C +ATOM 3016 H LEU A 194 13.780 11.006 0.365 1.00 0.34 H +ATOM 3017 HA LEU A 194 16.583 10.910 -0.397 1.00 0.47 H +ATOM 3018 HB2 LEU A 194 14.820 9.569 1.508 1.00 0.44 H +ATOM 3019 HB3 LEU A 194 15.969 8.459 0.761 1.00 0.52 H +ATOM 3020 HG LEU A 194 17.035 11.094 1.645 1.00 0.93 H +ATOM 3021 HD11 LEU A 194 16.124 8.901 3.522 1.00 1.27 H +ATOM 3022 HD12 LEU A 194 17.348 10.090 3.968 1.00 1.36 H +ATOM 3023 HD13 LEU A 194 15.709 10.614 3.581 1.00 1.26 H +ATOM 3024 HD21 LEU A 194 17.933 8.319 1.161 1.00 1.57 H +ATOM 3025 HD22 LEU A 194 18.804 9.837 0.946 1.00 1.65 H +ATOM 3026 HD23 LEU A 194 18.688 9.106 2.547 1.00 1.50 H +ATOM 3027 N TYR A 195 14.679 8.441 -1.515 1.00 0.38 N +ATOM 3028 CA TYR A 195 14.579 7.477 -2.651 1.00 0.42 C +ATOM 3029 C TYR A 195 13.467 7.901 -3.614 1.00 0.48 C +ATOM 3030 O TYR A 195 13.634 7.861 -4.814 1.00 0.69 O +ATOM 3031 CB TYR A 195 14.268 6.082 -2.104 1.00 0.41 C +ATOM 3032 CG TYR A 195 15.558 5.332 -1.873 1.00 0.48 C +ATOM 3033 CD1 TYR A 195 16.684 6.009 -1.389 1.00 1.30 C +ATOM 3034 CD2 TYR A 195 15.628 3.960 -2.141 1.00 1.32 C +ATOM 3035 CE1 TYR A 195 17.880 5.314 -1.174 1.00 1.36 C +ATOM 3036 CE2 TYR A 195 16.823 3.264 -1.925 1.00 1.40 C +ATOM 3037 CZ TYR A 195 17.950 3.941 -1.442 1.00 0.77 C +ATOM 3038 OH TYR A 195 19.128 3.256 -1.230 1.00 0.94 O +ATOM 3039 H TYR A 195 14.038 8.396 -0.774 1.00 0.46 H +ATOM 3040 HA TYR A 195 15.520 7.450 -3.181 1.00 0.47 H +ATOM 3041 HB2 TYR A 195 13.732 6.173 -1.171 1.00 0.40 H +ATOM 3042 HB3 TYR A 195 13.662 5.543 -2.817 1.00 0.48 H +ATOM 3043 HD1 TYR A 195 16.630 7.068 -1.183 1.00 2.17 H +ATOM 3044 HD2 TYR A 195 14.759 3.438 -2.514 1.00 2.18 H +ATOM 3045 HE1 TYR A 195 18.749 5.836 -0.801 1.00 2.22 H +ATOM 3046 HE2 TYR A 195 16.877 2.206 -2.132 1.00 2.28 H +ATOM 3047 HH TYR A 195 19.366 3.354 -0.305 1.00 1.50 H +ATOM 3048 N GLY A 196 12.336 8.295 -3.092 1.00 0.39 N +ATOM 3049 CA GLY A 196 11.194 8.719 -3.955 1.00 0.47 C +ATOM 3050 C GLY A 196 11.641 9.787 -4.952 1.00 0.96 C +ATOM 3051 O GLY A 196 11.610 10.969 -4.677 1.00 1.74 O +ATOM 3052 H GLY A 196 12.233 8.307 -2.127 1.00 0.35 H +ATOM 3053 HA2 GLY A 196 10.819 7.862 -4.494 1.00 0.92 H +ATOM 3054 HA3 GLY A 196 10.408 9.121 -3.334 1.00 1.03 H +ATOM 3055 N ASN A 197 12.053 9.373 -6.111 1.00 1.52 N +ATOM 3056 CA ASN A 197 12.503 10.350 -7.142 1.00 2.39 C +ATOM 3057 C ASN A 197 11.392 10.544 -8.176 1.00 2.64 C +ATOM 3058 O ASN A 197 10.882 9.596 -8.739 1.00 3.02 O +ATOM 3059 CB ASN A 197 13.758 9.818 -7.837 1.00 3.13 C +ATOM 3060 CG ASN A 197 14.120 10.732 -9.010 1.00 3.94 C +ATOM 3061 OD1 ASN A 197 14.031 10.335 -10.155 1.00 4.33 O +ATOM 3062 ND2 ASN A 197 14.526 11.949 -8.771 1.00 4.68 N +ATOM 3063 H ASN A 197 12.065 8.414 -6.303 1.00 1.80 H +ATOM 3064 HA ASN A 197 12.726 11.296 -6.670 1.00 3.00 H +ATOM 3065 HB2 ASN A 197 14.577 9.794 -7.132 1.00 3.40 H +ATOM 3066 HB3 ASN A 197 13.571 8.821 -8.206 1.00 3.45 H +ATOM 3067 HD21 ASN A 197 14.597 12.270 -7.848 1.00 4.74 H +ATOM 3068 HD22 ASN A 197 14.760 12.542 -9.515 1.00 5.39 H +ATOM 3069 N ASN A 198 11.011 11.767 -8.430 1.00 3.10 N +ATOM 3070 CA ASN A 198 9.932 12.020 -9.427 1.00 3.86 C +ATOM 3071 C ASN A 198 10.298 11.358 -10.757 1.00 4.08 C +ATOM 3072 O ASN A 198 9.791 10.309 -11.099 1.00 4.41 O +ATOM 3073 CB ASN A 198 9.773 13.528 -9.634 1.00 4.66 C +ATOM 3074 CG ASN A 198 8.618 14.044 -8.774 1.00 5.31 C +ATOM 3075 OD1 ASN A 198 7.630 13.361 -8.590 1.00 5.43 O +ATOM 3076 ND2 ASN A 198 8.700 15.230 -8.235 1.00 6.12 N +ATOM 3077 H ASN A 198 11.434 12.518 -7.965 1.00 3.28 H +ATOM 3078 HA ASN A 198 9.002 11.608 -9.064 1.00 4.14 H +ATOM 3079 HB2 ASN A 198 10.687 14.029 -9.349 1.00 4.75 H +ATOM 3080 HB3 ASN A 198 9.562 13.728 -10.674 1.00 5.13 H +ATOM 3081 HD21 ASN A 198 9.497 15.781 -8.384 1.00 6.29 H +ATOM 3082 HD22 ASN A 198 7.966 15.569 -7.683 1.00 6.73 H +ATOM 3083 N ALA A 199 11.176 11.963 -11.510 1.00 4.36 N +ATOM 3084 CA ALA A 199 11.573 11.367 -12.817 1.00 4.85 C +ATOM 3085 C ALA A 199 12.556 12.301 -13.525 1.00 5.09 C +ATOM 3086 O ALA A 199 12.452 12.546 -14.710 1.00 5.24 O +ATOM 3087 CB ALA A 199 10.331 11.178 -13.689 1.00 5.09 C +ATOM 3088 H ALA A 199 11.574 12.809 -11.216 1.00 4.51 H +ATOM 3089 HA ALA A 199 12.044 10.410 -12.648 1.00 5.29 H +ATOM 3090 HB1 ALA A 199 9.607 11.945 -13.456 1.00 5.15 H +ATOM 3091 HB2 ALA A 199 10.608 11.249 -14.731 1.00 5.44 H +ATOM 3092 HB3 ALA A 199 9.900 10.206 -13.497 1.00 5.27 H +ATOM 3093 N ALA A 200 13.512 12.826 -12.807 1.00 5.53 N +ATOM 3094 CA ALA A 200 14.501 13.744 -13.438 1.00 6.10 C +ATOM 3095 C ALA A 200 15.154 13.050 -14.634 1.00 6.41 C +ATOM 3096 O ALA A 200 15.431 13.664 -15.645 1.00 6.87 O +ATOM 3097 CB ALA A 200 15.576 14.115 -12.414 1.00 6.75 C +ATOM 3098 H ALA A 200 13.578 12.616 -11.852 1.00 5.72 H +ATOM 3099 HA ALA A 200 13.998 14.640 -13.772 1.00 6.18 H +ATOM 3100 HB1 ALA A 200 15.105 14.465 -11.508 1.00 6.88 H +ATOM 3101 HB2 ALA A 200 16.179 13.246 -12.195 1.00 6.92 H +ATOM 3102 HB3 ALA A 200 16.204 14.895 -12.818 1.00 7.23 H +ATOM 3103 N ALA A 201 15.402 11.773 -14.529 1.00 6.51 N +ATOM 3104 CA ALA A 201 16.037 11.042 -15.662 1.00 7.11 C +ATOM 3105 C ALA A 201 17.344 11.737 -16.051 1.00 7.24 C +ATOM 3106 O ALA A 201 17.770 11.686 -17.188 1.00 7.38 O +ATOM 3107 CB ALA A 201 15.087 11.036 -16.861 1.00 7.58 C +ATOM 3108 H ALA A 201 15.171 11.295 -13.705 1.00 6.39 H +ATOM 3109 HA ALA A 201 16.245 10.025 -15.363 1.00 7.44 H +ATOM 3110 HB1 ALA A 201 14.467 11.920 -16.833 1.00 7.92 H +ATOM 3111 HB2 ALA A 201 15.661 11.027 -17.775 1.00 7.77 H +ATOM 3112 HB3 ALA A 201 14.461 10.157 -16.820 1.00 7.69 H +ATOM 3113 N GLU A 202 17.985 12.387 -15.117 1.00 7.51 N +ATOM 3114 CA GLU A 202 19.260 13.083 -15.432 1.00 7.93 C +ATOM 3115 C GLU A 202 20.324 12.659 -14.413 1.00 8.15 C +ATOM 3116 O GLU A 202 21.307 12.031 -14.753 1.00 8.51 O +ATOM 3117 CB GLU A 202 19.029 14.596 -15.365 1.00 8.35 C +ATOM 3118 CG GLU A 202 20.292 15.295 -14.867 1.00 8.60 C +ATOM 3119 CD GLU A 202 20.259 16.767 -15.283 1.00 9.43 C +ATOM 3120 OE1 GLU A 202 19.784 17.044 -16.372 1.00 9.84 O +ATOM 3121 OE2 GLU A 202 20.709 17.592 -14.505 1.00 9.86 O +ATOM 3122 H GLU A 202 17.628 12.419 -14.207 1.00 7.64 H +ATOM 3123 HA GLU A 202 19.583 12.810 -16.426 1.00 8.09 H +ATOM 3124 HB2 GLU A 202 18.779 14.964 -16.349 1.00 8.41 H +ATOM 3125 HB3 GLU A 202 18.215 14.805 -14.687 1.00 8.69 H +ATOM 3126 HG2 GLU A 202 20.338 15.226 -13.791 1.00 8.38 H +ATOM 3127 HG3 GLU A 202 21.159 14.821 -15.298 1.00 8.69 H +ATOM 3128 N SER A 203 20.133 12.993 -13.165 1.00 8.21 N +ATOM 3129 CA SER A 203 21.128 12.606 -12.122 1.00 8.71 C +ATOM 3130 C SER A 203 22.519 13.123 -12.502 1.00 8.83 C +ATOM 3131 O SER A 203 23.459 12.362 -12.628 1.00 9.03 O +ATOM 3132 CB SER A 203 21.169 11.082 -12.001 1.00 9.21 C +ATOM 3133 OG SER A 203 19.906 10.548 -12.377 1.00 9.19 O +ATOM 3134 H SER A 203 19.331 13.496 -12.912 1.00 8.10 H +ATOM 3135 HA SER A 203 20.835 13.032 -11.174 1.00 8.91 H +ATOM 3136 HB2 SER A 203 21.930 10.687 -12.652 1.00 9.59 H +ATOM 3137 HB3 SER A 203 21.396 10.810 -10.978 1.00 9.48 H +ATOM 3138 HG SER A 203 20.032 10.022 -13.171 1.00 9.32 H +ATOM 3139 N ARG A 204 22.659 14.409 -12.680 1.00 8.98 N +ATOM 3140 CA ARG A 204 23.990 14.980 -13.047 1.00 9.37 C +ATOM 3141 C ARG A 204 24.562 14.249 -14.267 1.00 9.36 C +ATOM 3142 O ARG A 204 25.759 14.204 -14.467 1.00 9.54 O +ATOM 3143 CB ARG A 204 24.951 14.822 -11.867 1.00 9.73 C +ATOM 3144 CG ARG A 204 25.063 16.151 -11.117 1.00 10.39 C +ATOM 3145 CD ARG A 204 26.354 16.861 -11.527 1.00 11.01 C +ATOM 3146 NE ARG A 204 26.207 17.402 -12.907 1.00 11.58 N +ATOM 3147 CZ ARG A 204 25.286 18.290 -13.165 1.00 12.26 C +ATOM 3148 NH1 ARG A 204 25.090 19.284 -12.343 1.00 12.81 N +ATOM 3149 NH2 ARG A 204 24.561 18.183 -14.245 1.00 12.54 N +ATOM 3150 H ARG A 204 21.889 15.004 -12.569 1.00 8.99 H +ATOM 3151 HA ARG A 204 23.878 16.029 -13.279 1.00 9.69 H +ATOM 3152 HB2 ARG A 204 24.577 14.061 -11.198 1.00 9.68 H +ATOM 3153 HB3 ARG A 204 25.925 14.534 -12.231 1.00 9.83 H +ATOM 3154 HG2 ARG A 204 24.215 16.775 -11.362 1.00 10.59 H +ATOM 3155 HG3 ARG A 204 25.078 15.965 -10.054 1.00 10.45 H +ATOM 3156 HD2 ARG A 204 26.552 17.672 -10.842 1.00 11.16 H +ATOM 3157 HD3 ARG A 204 27.175 16.160 -11.500 1.00 11.11 H +ATOM 3158 HE ARG A 204 26.802 17.091 -13.621 1.00 11.58 H +ATOM 3159 HH11 ARG A 204 25.645 19.366 -11.516 1.00 12.73 H +ATOM 3160 HH12 ARG A 204 24.384 19.964 -12.541 1.00 13.42 H +ATOM 3161 HH21 ARG A 204 24.712 17.421 -14.875 1.00 12.25 H +ATOM 3162 HH22 ARG A 204 23.855 18.863 -14.443 1.00 13.16 H +ATOM 3163 N LYS A 205 23.720 13.676 -15.084 1.00 9.39 N +ATOM 3164 CA LYS A 205 24.222 12.952 -16.284 1.00 9.63 C +ATOM 3165 C LYS A 205 23.196 13.066 -17.414 1.00 9.68 C +ATOM 3166 O LYS A 205 22.330 13.918 -17.396 1.00 9.94 O +ATOM 3167 CB LYS A 205 24.433 11.479 -15.934 1.00 9.96 C +ATOM 3168 CG LYS A 205 25.860 11.067 -16.295 1.00 10.33 C +ATOM 3169 CD LYS A 205 26.856 11.907 -15.493 1.00 10.93 C +ATOM 3170 CE LYS A 205 28.207 11.191 -15.447 1.00 11.41 C +ATOM 3171 NZ LYS A 205 29.288 12.145 -15.824 1.00 12.17 N +ATOM 3172 H LYS A 205 22.761 13.721 -14.909 1.00 9.42 H +ATOM 3173 HA LYS A 205 25.158 13.386 -16.602 1.00 9.79 H +ATOM 3174 HB2 LYS A 205 24.273 11.335 -14.875 1.00 9.98 H +ATOM 3175 HB3 LYS A 205 23.734 10.873 -16.490 1.00 10.18 H +ATOM 3176 HG2 LYS A 205 25.998 10.023 -16.060 1.00 10.23 H +ATOM 3177 HG3 LYS A 205 26.025 11.225 -17.350 1.00 10.51 H +ATOM 3178 HD2 LYS A 205 26.976 12.872 -15.965 1.00 11.13 H +ATOM 3179 HD3 LYS A 205 26.488 12.041 -14.487 1.00 11.03 H +ATOM 3180 HE2 LYS A 205 28.385 10.821 -14.448 1.00 11.50 H +ATOM 3181 HE3 LYS A 205 28.200 10.363 -16.140 1.00 11.32 H +ATOM 3182 HZ1 LYS A 205 29.011 12.662 -16.682 1.00 12.39 H +ATOM 3183 HZ2 LYS A 205 29.442 12.819 -15.046 1.00 12.33 H +ATOM 3184 HZ3 LYS A 205 30.167 11.619 -16.006 1.00 12.47 H +ATOM 3185 N GLY A 206 23.285 12.212 -18.396 1.00 9.66 N +ATOM 3186 CA GLY A 206 22.314 12.271 -19.525 1.00 9.94 C +ATOM 3187 C GLY A 206 22.559 13.540 -20.344 1.00 9.94 C +ATOM 3188 O GLY A 206 21.707 14.401 -20.441 1.00 10.11 O +ATOM 3189 H GLY A 206 23.990 11.531 -18.392 1.00 9.63 H +ATOM 3190 HA2 GLY A 206 22.444 11.403 -20.156 1.00 10.13 H +ATOM 3191 HA3 GLY A 206 21.308 12.287 -19.135 1.00 10.17 H +ATOM 3192 N GLN A 207 23.716 13.662 -20.933 1.00 9.98 N +ATOM 3193 CA GLN A 207 24.014 14.875 -21.745 1.00 10.21 C +ATOM 3194 C GLN A 207 25.225 14.605 -22.641 1.00 10.53 C +ATOM 3195 O GLN A 207 26.095 15.439 -22.781 1.00 10.94 O +ATOM 3196 CB GLN A 207 24.315 16.052 -20.813 1.00 10.47 C +ATOM 3197 CG GLN A 207 24.903 15.531 -19.500 1.00 10.88 C +ATOM 3198 CD GLN A 207 26.157 14.705 -19.792 1.00 11.45 C +ATOM 3199 OE1 GLN A 207 26.170 13.507 -19.592 1.00 11.84 O +ATOM 3200 NE2 GLN A 207 27.219 15.300 -20.261 1.00 11.73 N +ATOM 3201 H GLN A 207 24.390 12.956 -20.842 1.00 10.02 H +ATOM 3202 HA GLN A 207 23.159 15.114 -22.360 1.00 10.19 H +ATOM 3203 HB2 GLN A 207 25.025 16.715 -21.288 1.00 10.61 H +ATOM 3204 HB3 GLN A 207 23.402 16.590 -20.608 1.00 10.46 H +ATOM 3205 HG2 GLN A 207 25.160 16.366 -18.865 1.00 10.73 H +ATOM 3206 HG3 GLN A 207 24.174 14.910 -19.000 1.00 11.14 H +ATOM 3207 HE21 GLN A 207 27.209 16.266 -20.423 1.00 11.57 H +ATOM 3208 HE22 GLN A 207 28.028 14.780 -20.452 1.00 12.22 H +ATOM 3209 N GLU A 208 25.272 13.440 -23.244 1.00 10.54 N +ATOM 3210 CA GLU A 208 26.408 13.065 -24.147 1.00 11.05 C +ATOM 3211 C GLU A 208 27.643 12.672 -23.320 1.00 11.07 C +ATOM 3212 O GLU A 208 27.953 11.504 -23.189 1.00 11.24 O +ATOM 3213 CB GLU A 208 26.746 14.223 -25.098 1.00 11.39 C +ATOM 3214 CG GLU A 208 27.554 13.689 -26.282 1.00 11.93 C +ATOM 3215 CD GLU A 208 26.660 12.804 -27.153 1.00 12.44 C +ATOM 3216 OE1 GLU A 208 25.452 12.956 -27.074 1.00 12.81 O +ATOM 3217 OE2 GLU A 208 27.199 11.988 -27.883 1.00 12.61 O +ATOM 3218 H GLU A 208 24.544 12.799 -23.100 1.00 10.35 H +ATOM 3219 HA GLU A 208 26.107 12.211 -24.737 1.00 11.39 H +ATOM 3220 HB2 GLU A 208 25.830 14.669 -25.459 1.00 11.37 H +ATOM 3221 HB3 GLU A 208 27.326 14.968 -24.578 1.00 11.47 H +ATOM 3222 HG2 GLU A 208 27.921 14.519 -26.869 1.00 11.96 H +ATOM 3223 HG3 GLU A 208 28.387 13.109 -25.918 1.00 12.13 H +ATOM 3224 N ARG A 209 28.352 13.619 -22.760 1.00 11.11 N +ATOM 3225 CA ARG A 209 29.556 13.267 -21.953 1.00 11.35 C +ATOM 3226 C ARG A 209 30.275 14.547 -21.516 1.00 11.53 C +ATOM 3227 O ARG A 209 30.829 14.616 -20.438 1.00 11.71 O +ATOM 3228 CB ARG A 209 30.506 12.414 -22.797 1.00 11.51 C +ATOM 3229 CG ARG A 209 30.731 11.067 -22.108 1.00 11.89 C +ATOM 3230 CD ARG A 209 31.411 11.292 -20.756 1.00 12.42 C +ATOM 3231 NE ARG A 209 31.999 10.010 -20.275 1.00 12.93 N +ATOM 3232 CZ ARG A 209 31.930 9.694 -19.011 1.00 13.40 C +ATOM 3233 NH1 ARG A 209 32.071 10.616 -18.099 1.00 13.46 N +ATOM 3234 NH2 ARG A 209 31.720 8.455 -18.659 1.00 13.97 N +ATOM 3235 H ARG A 209 28.097 14.554 -22.868 1.00 11.13 H +ATOM 3236 HA ARG A 209 29.253 12.709 -21.079 1.00 11.53 H +ATOM 3237 HB2 ARG A 209 30.072 12.252 -23.773 1.00 11.41 H +ATOM 3238 HB3 ARG A 209 31.451 12.925 -22.902 1.00 11.67 H +ATOM 3239 HG2 ARG A 209 29.780 10.577 -21.956 1.00 12.13 H +ATOM 3240 HG3 ARG A 209 31.362 10.447 -22.726 1.00 11.75 H +ATOM 3241 HD2 ARG A 209 32.193 12.029 -20.865 1.00 12.49 H +ATOM 3242 HD3 ARG A 209 30.682 11.644 -20.041 1.00 12.55 H +ATOM 3243 HE ARG A 209 32.438 9.405 -20.909 1.00 13.03 H +ATOM 3244 HH11 ARG A 209 32.233 11.566 -18.368 1.00 13.15 H +ATOM 3245 HH12 ARG A 209 32.018 10.374 -17.130 1.00 13.93 H +ATOM 3246 HH21 ARG A 209 31.612 7.748 -19.358 1.00 14.05 H +ATOM 3247 HH22 ARG A 209 31.667 8.213 -17.690 1.00 14.43 H +ATOM 3248 N LEU A 210 30.269 15.556 -22.349 1.00 11.68 N +ATOM 3249 CA LEU A 210 30.948 16.841 -22.001 1.00 12.08 C +ATOM 3250 C LEU A 210 32.469 16.634 -21.954 1.00 12.12 C +ATOM 3251 O LEU A 210 33.155 16.845 -22.934 1.00 12.02 O +ATOM 3252 CB LEU A 210 30.439 17.359 -20.649 1.00 12.54 C +ATOM 3253 CG LEU A 210 29.560 18.590 -20.876 1.00 13.14 C +ATOM 3254 CD1 LEU A 210 28.289 18.180 -21.621 1.00 13.50 C +ATOM 3255 CD2 LEU A 210 29.183 19.202 -19.525 1.00 13.67 C +ATOM 3256 H LEU A 210 29.815 15.468 -23.213 1.00 11.67 H +ATOM 3257 HA LEU A 210 30.721 17.572 -22.765 1.00 12.23 H +ATOM 3258 HB2 LEU A 210 29.859 16.591 -20.160 1.00 12.46 H +ATOM 3259 HB3 LEU A 210 31.277 17.631 -20.027 1.00 12.71 H +ATOM 3260 HG LEU A 210 30.103 19.316 -21.464 1.00 13.15 H +ATOM 3261 HD11 LEU A 210 28.329 17.125 -21.849 1.00 13.71 H +ATOM 3262 HD12 LEU A 210 27.428 18.381 -21.000 1.00 13.61 H +ATOM 3263 HD13 LEU A 210 28.211 18.744 -22.538 1.00 13.58 H +ATOM 3264 HD21 LEU A 210 29.192 18.433 -18.767 1.00 13.95 H +ATOM 3265 HD22 LEU A 210 29.897 19.971 -19.267 1.00 13.78 H +ATOM 3266 HD23 LEU A 210 28.196 19.634 -19.588 1.00 13.83 H +ATOM 3267 N GLU A 211 33.010 16.225 -20.834 1.00 12.46 N +ATOM 3268 CA GLU A 211 34.484 16.017 -20.760 1.00 12.71 C +ATOM 3269 C GLU A 211 34.850 15.393 -19.412 1.00 12.99 C +ATOM 3270 O GLU A 211 34.924 16.070 -18.406 1.00 13.11 O +ATOM 3271 CB GLU A 211 35.195 17.364 -20.907 1.00 13.10 C +ATOM 3272 CG GLU A 211 36.360 17.224 -21.888 1.00 13.25 C +ATOM 3273 CD GLU A 211 35.854 17.437 -23.316 1.00 13.52 C +ATOM 3274 OE1 GLU A 211 35.521 18.565 -23.643 1.00 14.00 O +ATOM 3275 OE2 GLU A 211 35.809 16.470 -24.058 1.00 13.40 O +ATOM 3276 H GLU A 211 32.454 16.057 -20.047 1.00 12.68 H +ATOM 3277 HA GLU A 211 34.794 15.359 -21.558 1.00 12.62 H +ATOM 3278 HB2 GLU A 211 34.497 18.101 -21.278 1.00 13.29 H +ATOM 3279 HB3 GLU A 211 35.572 17.679 -19.945 1.00 13.26 H +ATOM 3280 HG2 GLU A 211 37.115 17.962 -21.658 1.00 13.26 H +ATOM 3281 HG3 GLU A 211 36.785 16.235 -21.803 1.00 13.37 H +ATOM 3282 N HIS A 212 35.075 14.105 -19.388 1.00 13.28 N +ATOM 3283 CA HIS A 212 35.436 13.427 -18.102 1.00 13.73 C +ATOM 3284 C HIS A 212 36.600 14.165 -17.433 1.00 14.19 C +ATOM 3285 O HIS A 212 36.691 14.228 -16.223 1.00 14.61 O +ATOM 3286 CB HIS A 212 35.835 11.964 -18.353 1.00 13.96 C +ATOM 3287 CG HIS A 212 36.560 11.830 -19.667 1.00 14.17 C +ATOM 3288 ND1 HIS A 212 36.055 11.068 -20.710 1.00 14.47 N +ATOM 3289 CD2 HIS A 212 37.745 12.351 -20.125 1.00 14.33 C +ATOM 3290 CE1 HIS A 212 36.925 11.152 -21.733 1.00 14.77 C +ATOM 3291 NE2 HIS A 212 37.973 11.922 -21.429 1.00 14.70 N +ATOM 3292 H HIS A 212 35.002 13.588 -20.216 1.00 13.31 H +ATOM 3293 HA HIS A 212 34.581 13.451 -17.442 1.00 13.77 H +ATOM 3294 HB2 HIS A 212 36.481 11.629 -17.555 1.00 13.90 H +ATOM 3295 HB3 HIS A 212 34.946 11.351 -18.372 1.00 14.22 H +ATOM 3296 HD1 HIS A 212 35.216 10.562 -20.704 1.00 14.56 H +ATOM 3297 HD2 HIS A 212 38.399 12.997 -19.562 1.00 14.29 H +ATOM 3298 HE1 HIS A 212 36.792 10.658 -22.683 1.00 15.14 H +ATOM 3299 N HIS A 213 37.489 14.728 -18.205 1.00 14.27 N +ATOM 3300 CA HIS A 213 38.640 15.463 -17.602 1.00 14.88 C +ATOM 3301 C HIS A 213 39.520 16.046 -18.710 1.00 15.06 C +ATOM 3302 O HIS A 213 40.728 16.096 -18.592 1.00 15.24 O +ATOM 3303 CB HIS A 213 39.468 14.509 -16.736 1.00 14.86 C +ATOM 3304 CG HIS A 213 39.754 13.246 -17.500 1.00 15.65 C +ATOM 3305 ND1 HIS A 213 40.708 13.188 -18.503 1.00 16.01 N +ATOM 3306 CD2 HIS A 213 39.217 11.985 -17.420 1.00 16.30 C +ATOM 3307 CE1 HIS A 213 40.717 11.931 -18.983 1.00 16.82 C +ATOM 3308 NE2 HIS A 213 39.827 11.156 -18.357 1.00 17.02 N +ATOM 3309 H HIS A 213 37.399 14.670 -19.179 1.00 14.03 H +ATOM 3310 HA HIS A 213 38.264 16.267 -16.987 1.00 15.38 H +ATOM 3311 HB2 HIS A 213 40.400 14.985 -16.469 1.00 14.43 H +ATOM 3312 HB3 HIS A 213 38.918 14.269 -15.839 1.00 14.86 H +ATOM 3313 HD1 HIS A 213 41.274 13.929 -18.808 1.00 15.81 H +ATOM 3314 HD2 HIS A 213 38.440 11.681 -16.734 1.00 16.34 H +ATOM 3315 HE1 HIS A 213 41.366 11.590 -19.777 1.00 17.34 H +ATOM 3316 N HIS A 214 38.923 16.490 -19.785 1.00 15.17 N +ATOM 3317 CA HIS A 214 39.723 17.073 -20.900 1.00 15.52 C +ATOM 3318 C HIS A 214 40.600 15.990 -21.533 1.00 15.54 C +ATOM 3319 O HIS A 214 41.305 15.270 -20.855 1.00 15.58 O +ATOM 3320 CB HIS A 214 40.610 18.195 -20.359 1.00 15.95 C +ATOM 3321 CG HIS A 214 40.337 19.462 -21.122 1.00 16.07 C +ATOM 3322 ND1 HIS A 214 40.004 19.456 -22.468 1.00 16.23 N +ATOM 3323 CD2 HIS A 214 40.342 20.782 -20.743 1.00 16.23 C +ATOM 3324 CE1 HIS A 214 39.824 20.735 -22.846 1.00 16.48 C +ATOM 3325 NE2 HIS A 214 40.017 21.584 -21.833 1.00 16.49 N +ATOM 3326 H HIS A 214 37.948 16.443 -19.857 1.00 15.14 H +ATOM 3327 HA HIS A 214 39.054 17.474 -21.647 1.00 15.61 H +ATOM 3328 HB2 HIS A 214 40.395 18.352 -19.312 1.00 16.21 H +ATOM 3329 HB3 HIS A 214 41.648 17.922 -20.476 1.00 16.07 H +ATOM 3330 HD1 HIS A 214 39.916 18.665 -23.039 1.00 16.27 H +ATOM 3331 HD2 HIS A 214 40.563 21.143 -19.749 1.00 16.26 H +ATOM 3332 HE1 HIS A 214 39.555 21.038 -23.847 1.00 16.75 H +ATOM 3333 N HIS A 215 40.563 15.871 -22.832 1.00 15.65 N +ATOM 3334 CA HIS A 215 41.396 14.838 -23.510 1.00 15.84 C +ATOM 3335 C HIS A 215 42.822 15.368 -23.679 1.00 16.23 C +ATOM 3336 O HIS A 215 43.777 14.617 -23.691 1.00 16.63 O +ATOM 3337 CB HIS A 215 40.802 14.525 -24.885 1.00 16.03 C +ATOM 3338 CG HIS A 215 39.324 14.285 -24.751 1.00 15.95 C +ATOM 3339 ND1 HIS A 215 38.766 13.728 -23.611 1.00 15.89 N +ATOM 3340 CD2 HIS A 215 38.275 14.520 -25.605 1.00 16.12 C +ATOM 3341 CE1 HIS A 215 37.437 13.647 -23.808 1.00 16.01 C +ATOM 3342 NE2 HIS A 215 37.085 14.116 -25.007 1.00 16.15 N +ATOM 3343 H HIS A 215 39.990 16.463 -23.362 1.00 15.71 H +ATOM 3344 HA HIS A 215 41.414 13.940 -22.912 1.00 15.72 H +ATOM 3345 HB2 HIS A 215 40.973 15.360 -25.549 1.00 16.12 H +ATOM 3346 HB3 HIS A 215 41.275 13.642 -25.289 1.00 16.28 H +ATOM 3347 HD1 HIS A 215 39.251 13.444 -22.807 1.00 15.87 H +ATOM 3348 HD2 HIS A 215 38.360 14.952 -26.591 1.00 16.32 H +ATOM 3349 HE1 HIS A 215 36.741 13.251 -23.084 1.00 16.10 H +ATOM 3350 N HIS A 216 42.973 16.659 -23.811 1.00 16.26 N +ATOM 3351 CA HIS A 216 44.336 17.238 -23.979 1.00 16.79 C +ATOM 3352 C HIS A 216 44.874 17.687 -22.617 1.00 17.11 C +ATOM 3353 O HIS A 216 46.067 17.707 -22.389 1.00 17.24 O +ATOM 3354 CB HIS A 216 44.264 18.443 -24.920 1.00 16.87 C +ATOM 3355 CG HIS A 216 44.192 19.709 -24.112 1.00 17.03 C +ATOM 3356 ND1 HIS A 216 45.250 20.602 -24.042 1.00 17.12 N +ATOM 3357 CD2 HIS A 216 43.196 20.246 -23.334 1.00 17.28 C +ATOM 3358 CE1 HIS A 216 44.870 21.620 -23.247 1.00 17.41 C +ATOM 3359 NE2 HIS A 216 43.626 21.453 -22.789 1.00 17.52 N +ATOM 3360 H HIS A 216 42.190 17.247 -23.799 1.00 16.04 H +ATOM 3361 HA HIS A 216 44.995 16.493 -24.398 1.00 17.05 H +ATOM 3362 HB2 HIS A 216 45.144 18.464 -25.545 1.00 16.78 H +ATOM 3363 HB3 HIS A 216 43.384 18.363 -25.540 1.00 17.08 H +ATOM 3364 HD1 HIS A 216 46.117 20.510 -24.490 1.00 17.08 H +ATOM 3365 HD2 HIS A 216 42.227 19.801 -23.169 1.00 17.39 H +ATOM 3366 HE1 HIS A 216 45.494 22.468 -23.009 1.00 17.64 H +ATOM 3367 N HIS A 217 44.005 18.049 -21.712 1.00 17.37 N +ATOM 3368 CA HIS A 217 44.470 18.497 -20.369 1.00 17.85 C +ATOM 3369 C HIS A 217 45.305 19.770 -20.516 1.00 18.04 C +ATOM 3370 O HIS A 217 44.746 20.843 -20.362 1.00 18.21 O +ATOM 3371 CB HIS A 217 45.323 17.399 -19.730 1.00 17.99 C +ATOM 3372 CG HIS A 217 44.667 16.064 -19.949 1.00 18.30 C +ATOM 3373 ND1 HIS A 217 44.972 15.259 -21.036 1.00 18.89 N +ATOM 3374 CD2 HIS A 217 43.720 15.378 -19.230 1.00 18.26 C +ATOM 3375 CE1 HIS A 217 44.222 14.147 -20.941 1.00 19.16 C +ATOM 3376 NE2 HIS A 217 43.440 14.168 -19.858 1.00 18.81 N +ATOM 3377 OXT HIS A 217 46.490 19.651 -20.781 1.00 18.15 O +ATOM 3378 H HIS A 217 43.047 18.028 -21.916 1.00 17.35 H +ATOM 3379 HA HIS A 217 43.615 18.699 -19.741 1.00 18.11 H +ATOM 3380 HB2 HIS A 217 46.304 17.397 -20.181 1.00 17.90 H +ATOM 3381 HB3 HIS A 217 45.414 17.584 -18.670 1.00 18.10 H +ATOM 3382 HD1 HIS A 217 45.618 15.464 -21.745 1.00 19.14 H +ATOM 3383 HD2 HIS A 217 43.262 15.725 -18.316 1.00 17.95 H +ATOM 3384 HE1 HIS A 217 44.248 13.336 -21.653 1.00 19.70 H +TER 3385 HIS A 217 +END diff --git a/bench/main_benchmark/structures/SFB_OL_BCLXL_1LXLA_1R2DA/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_BCLXL_1LXLA_1R2DA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..24a419e4889f8b1b51fbac7bfba6dcf0ab483a93 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_BCLXL_1LXLA_1R2DA/state_b.pdb @@ -0,0 +1,1155 @@ +ATOM 1 N MET A 1 37.020 -4.735 73.700 1.00 79.42 N +ATOM 2 CA MET A 1 35.627 -4.287 73.991 1.00 78.26 C +ATOM 3 C MET A 1 35.549 -2.770 74.158 1.00 77.21 C +ATOM 4 O MET A 1 34.708 -2.113 73.554 1.00 78.65 O +ATOM 5 CB MET A 1 35.158 -4.964 75.269 1.00 43.57 C +ATOM 6 CG MET A 1 36.255 -5.091 76.338 1.00 43.57 C +ATOM 7 SD MET A 1 36.740 -3.588 77.281 1.00 43.57 S +ATOM 8 CE MET A 1 38.453 -3.264 76.706 1.00 43.57 C +ATOM 9 N SER A 2 36.428 -2.212 74.981 1.00 75.47 N +ATOM 10 CA SER A 2 36.432 -0.770 75.208 1.00 72.00 C +ATOM 11 C SER A 2 36.360 0.006 73.896 1.00 69.72 C +ATOM 12 O SER A 2 35.387 0.714 73.634 1.00 68.92 O +ATOM 13 CB SER A 2 37.670 -0.318 75.992 1.00 43.57 C +ATOM 14 OG SER A 2 37.543 -0.624 77.370 1.00 43.57 O +ATOM 15 N GLN A 3 37.404 -0.131 73.082 1.00 67.47 N +ATOM 16 CA GLN A 3 37.487 0.548 71.791 1.00 65.14 C +ATOM 17 C GLN A 3 36.590 -0.138 70.763 1.00 63.01 C +ATOM 18 O GLN A 3 36.028 0.515 69.882 1.00 62.39 O +ATOM 19 CB GLN A 3 38.936 0.548 71.291 1.00 64.59 C +ATOM 20 CG GLN A 3 39.181 1.392 70.045 1.00 43.57 C +ATOM 21 CD GLN A 3 40.627 1.358 69.593 1.00 43.57 C +ATOM 22 OE1 GLN A 3 41.531 1.747 70.333 1.00 43.57 O +ATOM 23 NE2 GLN A 3 40.855 0.890 68.371 1.00 43.57 N +ATOM 24 N SER A 4 36.474 -1.459 70.879 1.00 60.16 N +ATOM 25 CA SER A 4 35.646 -2.237 69.974 1.00 57.98 C +ATOM 26 C SER A 4 34.228 -1.689 70.034 1.00 55.27 C +ATOM 27 O SER A 4 33.684 -1.244 69.026 1.00 54.61 O +ATOM 28 CB SER A 4 35.637 -3.713 70.386 1.00 58.72 C +ATOM 29 OG SER A 4 36.947 -4.242 70.439 1.00 62.39 O +ATOM 30 N ASN A 5 33.644 -1.722 71.228 1.00 52.60 N +ATOM 31 CA ASN A 5 32.284 -1.243 71.438 1.00 50.68 C +ATOM 32 C ASN A 5 32.097 0.206 71.017 1.00 49.68 C +ATOM 33 O ASN A 5 31.058 0.570 70.474 1.00 49.46 O +ATOM 34 CB ASN A 5 31.893 -1.423 72.904 1.00 50.17 C +ATOM 35 CG ASN A 5 31.704 -2.882 73.272 1.00 50.05 C +ATOM 36 OD1 ASN A 5 31.456 -3.222 74.428 1.00 48.79 O +ATOM 37 ND2 ASN A 5 31.811 -3.755 72.277 1.00 51.32 N +ATOM 38 N ARG A 6 33.100 1.034 71.273 1.00 48.40 N +ATOM 39 CA ARG A 6 33.029 2.436 70.893 1.00 47.89 C +ATOM 40 C ARG A 6 32.814 2.528 69.380 1.00 46.65 C +ATOM 41 O ARG A 6 31.963 3.285 68.894 1.00 43.53 O +ATOM 42 CB ARG A 6 34.330 3.138 71.282 1.00 51.78 C +ATOM 43 CG ARG A 6 34.497 4.519 70.679 1.00 57.41 C +ATOM 44 CD ARG A 6 33.428 5.459 71.186 1.00 61.44 C +ATOM 45 NE ARG A 6 33.407 6.728 70.463 1.00 64.73 N +ATOM 46 CZ ARG A 6 32.585 7.727 70.763 1.00 66.72 C +ATOM 47 NH1 ARG A 6 31.732 7.593 71.771 1.00 67.43 N +ATOM 48 NH2 ARG A 6 32.602 8.851 70.054 1.00 69.25 N +ATOM 49 N GLU A 7 33.592 1.733 68.651 1.00 43.85 N +ATOM 50 CA GLU A 7 33.544 1.683 67.194 1.00 43.07 C +ATOM 51 C GLU A 7 32.216 1.101 66.702 1.00 40.04 C +ATOM 52 O GLU A 7 31.660 1.545 65.691 1.00 36.49 O +ATOM 53 CB GLU A 7 34.706 0.826 66.678 1.00 44.68 C +ATOM 54 CG GLU A 7 34.815 0.734 65.169 1.00 49.13 C +ATOM 55 CD GLU A 7 36.014 -0.094 64.725 1.00 51.73 C +ATOM 56 OE1 GLU A 7 37.142 0.198 65.186 1.00 52.87 O +ATOM 57 OE2 GLU A 7 35.831 -1.032 63.917 1.00 51.88 O +ATOM 58 N LEU A 8 31.721 0.097 67.419 1.00 36.49 N +ATOM 59 CA LEU A 8 30.463 -0.543 67.061 1.00 34.32 C +ATOM 60 C LEU A 8 29.323 0.471 67.200 1.00 31.89 C +ATOM 61 O LEU A 8 28.477 0.594 66.311 1.00 30.42 O +ATOM 62 CB LEU A 8 30.224 -1.753 67.965 1.00 34.67 C +ATOM 63 CG LEU A 8 29.020 -2.635 67.665 1.00 35.54 C +ATOM 64 CD1 LEU A 8 29.039 -3.108 66.200 1.00 35.84 C +ATOM 65 CD2 LEU A 8 29.066 -3.829 68.612 1.00 36.07 C +ATOM 66 N VAL A 9 29.322 1.204 68.309 1.00 29.83 N +ATOM 67 CA VAL A 9 28.303 2.224 68.564 1.00 28.67 C +ATOM 68 C VAL A 9 28.331 3.301 67.468 1.00 29.08 C +ATOM 69 O VAL A 9 27.302 3.650 66.871 1.00 25.05 O +ATOM 70 CB VAL A 9 28.525 2.905 69.960 1.00 28.97 C +ATOM 71 CG1 VAL A 9 27.721 4.220 70.054 1.00 26.13 C +ATOM 72 CG2 VAL A 9 28.102 1.956 71.087 1.00 27.95 C +ATOM 73 N VAL A 10 29.516 3.826 67.187 1.00 29.58 N +ATOM 74 CA VAL A 10 29.629 4.875 66.187 1.00 29.23 C +ATOM 75 C VAL A 10 29.148 4.400 64.816 1.00 28.95 C +ATOM 76 O VAL A 10 28.452 5.132 64.119 1.00 29.11 O +ATOM 77 CB VAL A 10 31.085 5.400 66.104 1.00 30.33 C +ATOM 78 CG1 VAL A 10 31.264 6.274 64.865 1.00 29.52 C +ATOM 79 CG2 VAL A 10 31.402 6.205 67.366 1.00 30.32 C +ATOM 80 N ASP A 11 29.495 3.172 64.447 1.00 28.84 N +ATOM 81 CA ASP A 11 29.079 2.621 63.163 1.00 30.54 C +ATOM 82 C ASP A 11 27.564 2.537 63.039 1.00 30.54 C +ATOM 83 O ASP A 11 26.999 2.969 62.037 1.00 28.56 O +ATOM 84 CB ASP A 11 29.627 1.212 62.941 1.00 33.25 C +ATOM 85 CG ASP A 11 29.170 0.629 61.606 1.00 36.83 C +ATOM 86 OD1 ASP A 11 29.733 1.040 60.572 1.00 38.08 O +ATOM 87 OD2 ASP A 11 28.234 -0.208 61.581 1.00 35.86 O +ATOM 88 N PHE A 12 26.912 1.957 64.047 1.00 28.00 N +ATOM 89 CA PHE A 12 25.461 1.835 64.006 1.00 28.19 C +ATOM 90 C PHE A 12 24.775 3.196 63.961 1.00 26.91 C +ATOM 91 O PHE A 12 23.816 3.390 63.208 1.00 27.35 O +ATOM 92 CB PHE A 12 24.950 1.029 65.208 1.00 28.53 C +ATOM 93 CG PHE A 12 23.465 0.799 65.183 1.00 30.51 C +ATOM 94 CD1 PHE A 12 22.589 1.749 65.715 1.00 29.03 C +ATOM 95 CD2 PHE A 12 22.940 -0.332 64.580 1.00 32.14 C +ATOM 96 CE1 PHE A 12 21.209 1.570 65.641 1.00 32.50 C +ATOM 97 CE2 PHE A 12 21.555 -0.521 64.502 1.00 33.67 C +ATOM 98 CZ PHE A 12 20.692 0.433 65.032 1.00 29.30 C +ATOM 99 N LEU A 13 25.256 4.144 64.756 1.00 27.05 N +ATOM 100 CA LEU A 13 24.654 5.467 64.769 1.00 28.15 C +ATOM 101 C LEU A 13 24.888 6.192 63.440 1.00 30.19 C +ATOM 102 O LEU A 13 23.995 6.891 62.943 1.00 28.76 O +ATOM 103 CB LEU A 13 25.204 6.300 65.932 1.00 27.25 C +ATOM 104 CG LEU A 13 24.867 5.766 67.337 1.00 29.13 C +ATOM 105 CD1 LEU A 13 25.495 6.673 68.386 1.00 27.72 C +ATOM 106 CD2 LEU A 13 23.333 5.689 67.531 1.00 25.56 C +ATOM 107 N SER A 14 26.077 6.016 62.863 1.00 28.81 N +ATOM 108 CA SER A 14 26.388 6.661 61.585 1.00 30.09 C +ATOM 109 C SER A 14 25.508 6.064 60.489 1.00 31.03 C +ATOM 110 O SER A 14 25.028 6.776 59.609 1.00 29.96 O +ATOM 111 CB SER A 14 27.868 6.454 61.232 1.00 30.45 C +ATOM 112 OG SER A 14 28.711 7.061 62.198 1.00 31.60 O +ATOM 113 N TYR A 15 25.312 4.747 60.558 1.00 30.87 N +ATOM 114 CA TYR A 15 24.491 4.010 59.601 1.00 31.54 C +ATOM 115 C TYR A 15 23.069 4.539 59.627 1.00 31.46 C +ATOM 116 O TYR A 15 22.479 4.848 58.590 1.00 29.75 O +ATOM 117 CB TYR A 15 24.475 2.523 59.975 1.00 32.31 C +ATOM 118 CG TYR A 15 23.551 1.661 59.138 1.00 34.06 C +ATOM 119 CD1 TYR A 15 23.879 1.320 57.823 1.00 32.80 C +ATOM 120 CD2 TYR A 15 22.368 1.139 59.680 1.00 33.19 C +ATOM 121 CE1 TYR A 15 23.062 0.471 57.070 1.00 34.44 C +ATOM 122 CE2 TYR A 15 21.544 0.294 58.943 1.00 32.78 C +ATOM 123 CZ TYR A 15 21.897 -0.044 57.640 1.00 36.18 C +ATOM 124 OH TYR A 15 21.122 -0.929 56.926 1.00 33.46 O +ATOM 125 N LYS A 16 22.522 4.637 60.834 1.00 30.19 N +ATOM 126 CA LYS A 16 21.168 5.104 61.010 1.00 31.47 C +ATOM 127 C LYS A 16 20.981 6.523 60.499 1.00 31.26 C +ATOM 128 O LYS A 16 20.011 6.808 59.789 1.00 29.59 O +ATOM 129 CB LYS A 16 20.778 5.015 62.487 1.00 31.82 C +ATOM 130 CG LYS A 16 19.300 5.131 62.723 1.00 34.79 C +ATOM 131 CD LYS A 16 18.506 4.154 61.846 1.00 35.01 C +ATOM 132 CE LYS A 16 18.900 2.699 62.065 1.00 32.72 C +ATOM 133 NZ LYS A 16 18.021 1.779 61.284 1.00 30.99 N +ATOM 134 N LEU A 17 21.896 7.418 60.861 1.00 29.88 N +ATOM 135 CA LEU A 17 21.798 8.814 60.415 1.00 31.07 C +ATOM 136 C LEU A 17 21.866 8.905 58.889 1.00 30.85 C +ATOM 137 O LEU A 17 21.066 9.607 58.271 1.00 31.33 O +ATOM 138 CB LEU A 17 22.915 9.663 61.042 1.00 30.34 C +ATOM 139 CG LEU A 17 22.811 9.958 62.548 1.00 30.83 C +ATOM 140 CD1 LEU A 17 24.157 10.435 63.083 1.00 30.88 C +ATOM 141 CD2 LEU A 17 21.733 11.004 62.807 1.00 33.37 C +ATOM 142 N SER A 18 22.818 8.193 58.288 1.00 32.25 N +ATOM 143 CA SER A 18 22.974 8.183 56.833 1.00 32.82 C +ATOM 144 C SER A 18 21.686 7.705 56.158 1.00 34.60 C +ATOM 145 O SER A 18 21.127 8.367 55.276 1.00 34.05 O +ATOM 146 CB SER A 18 24.106 7.246 56.429 1.00 31.13 C +ATOM 147 OG SER A 18 24.009 6.955 55.045 1.00 33.22 O +ATOM 148 N GLN A 19 21.233 6.539 56.598 1.00 33.40 N +ATOM 149 CA GLN A 19 20.020 5.899 56.097 1.00 33.94 C +ATOM 150 C GLN A 19 18.826 6.856 56.107 1.00 33.49 C +ATOM 151 O GLN A 19 18.028 6.885 55.165 1.00 33.76 O +ATOM 152 CB GLN A 19 19.727 4.676 56.973 1.00 33.03 C +ATOM 153 CG GLN A 19 18.551 3.817 56.561 1.00 34.94 C +ATOM 154 CD GLN A 19 18.267 2.727 57.585 1.00 35.78 C +ATOM 155 OE1 GLN A 19 17.855 3.010 58.715 1.00 34.50 O +ATOM 156 NE2 GLN A 19 18.499 1.482 57.201 1.00 33.59 N +ATOM 157 N LYS A 20 18.720 7.641 57.170 1.00 33.65 N +ATOM 158 CA LYS A 20 17.621 8.587 57.341 1.00 36.51 C +ATOM 159 C LYS A 20 17.800 9.973 56.731 1.00 35.37 C +ATOM 160 O LYS A 20 16.967 10.857 56.948 1.00 34.52 O +ATOM 161 CB LYS A 20 17.307 8.756 58.826 1.00 39.75 C +ATOM 162 CG LYS A 20 16.149 7.926 59.312 1.00 47.25 C +ATOM 163 CD LYS A 20 16.566 6.570 59.813 1.00 51.06 C +ATOM 164 CE LYS A 20 15.390 5.936 60.558 1.00 55.11 C +ATOM 165 NZ LYS A 20 15.783 4.738 61.332 1.00 56.26 N +ATOM 166 N GLY A 21 18.886 10.181 55.995 1.00 34.66 N +ATOM 167 CA GLY A 21 19.093 11.473 55.357 1.00 32.82 C +ATOM 168 C GLY A 21 19.814 12.526 56.170 1.00 33.53 C +ATOM 169 O GLY A 21 19.867 13.698 55.777 1.00 30.65 O +ATOM 170 N TYR A 22 20.395 12.110 57.292 1.00 32.87 N +ATOM 171 CA TYR A 22 21.110 13.029 58.168 1.00 33.50 C +ATOM 172 C TYR A 22 22.622 12.900 58.005 1.00 33.45 C +ATOM 173 O TYR A 22 23.120 11.948 57.411 1.00 33.02 O +ATOM 174 CB TYR A 22 20.753 12.739 59.627 1.00 34.35 C +ATOM 175 CG TYR A 22 19.303 12.978 59.969 1.00 34.91 C +ATOM 176 CD1 TYR A 22 18.814 14.275 60.174 1.00 36.16 C +ATOM 177 CD2 TYR A 22 18.417 11.911 60.096 1.00 33.56 C +ATOM 178 CE1 TYR A 22 17.472 14.500 60.504 1.00 34.83 C +ATOM 179 CE2 TYR A 22 17.081 12.119 60.423 1.00 35.21 C +ATOM 180 CZ TYR A 22 16.614 13.417 60.628 1.00 36.09 C +ATOM 181 OH TYR A 22 15.294 13.611 60.972 1.00 35.94 O +ATOM 182 N SER A 23 23.347 13.868 58.551 1.00 33.78 N +ATOM 183 CA SER A 23 24.798 13.837 58.505 1.00 33.04 C +ATOM 184 C SER A 23 25.319 12.974 59.654 1.00 33.21 C +ATOM 185 O SER A 23 24.668 12.859 60.691 1.00 30.47 O +ATOM 186 CB SER A 23 25.361 15.244 58.674 1.00 34.60 C +ATOM 187 OG SER A 23 26.767 15.185 58.821 1.00 39.10 O +ATOM 188 N TRP A 24 26.485 12.368 59.454 1.00 31.82 N +ATOM 189 CA TRP A 24 27.143 11.558 60.468 1.00 33.23 C +ATOM 190 C TRP A 24 28.475 12.243 60.786 1.00 35.79 C +ATOM 191 O TRP A 24 29.366 11.640 61.384 1.00 33.48 O +ATOM 192 CB TRP A 24 27.429 10.151 59.941 1.00 31.14 C +ATOM 193 CG TRP A 24 28.181 10.165 58.647 1.00 31.75 C +ATOM 194 CD1 TRP A 24 29.538 10.215 58.475 1.00 32.10 C +ATOM 195 CD2 TRP A 24 27.609 10.257 57.340 1.00 31.77 C +ATOM 196 NE1 TRP A 24 29.842 10.344 57.139 1.00 31.19 N +ATOM 197 CE2 TRP A 24 28.676 10.374 56.421 1.00 32.15 C +ATOM 198 CE3 TRP A 24 26.293 10.262 56.855 1.00 33.93 C +ATOM 199 CZ2 TRP A 24 28.467 10.494 55.040 1.00 33.60 C +ATOM 200 CZ3 TRP A 24 26.086 10.384 55.479 1.00 34.23 C +ATOM 201 CH2 TRP A 24 27.168 10.499 54.592 1.00 33.43 C +ATOM 202 N SER A 25 28.602 13.500 60.373 1.00 39.29 N +ATOM 203 CA SER A 25 29.837 14.262 60.582 1.00 44.68 C +ATOM 204 C SER A 25 30.124 14.663 62.017 1.00 46.43 C +ATOM 205 O SER A 25 31.230 15.105 62.317 1.00 49.52 O +ATOM 206 CB SER A 25 29.833 15.525 59.716 1.00 42.74 C +ATOM 207 OG SER A 25 29.960 15.184 58.349 1.00 49.28 O +ATOM 208 N GLN A 26 29.146 14.516 62.900 1.00 48.56 N +ATOM 209 CA GLN A 26 29.335 14.888 64.302 1.00 52.05 C +ATOM 210 C GLN A 26 30.289 13.929 65.017 1.00 53.71 C +ATOM 211 O GLN A 26 30.531 14.068 66.215 1.00 55.54 O +ATOM 212 CB GLN A 26 27.999 14.893 65.052 1.00 52.90 C +ATOM 213 CG GLN A 26 26.877 15.724 64.421 1.00 56.60 C +ATOM 214 CD GLN A 26 26.106 14.970 63.346 1.00 58.13 C +ATOM 215 OE1 GLN A 26 25.090 15.454 62.835 1.00 62.20 O +ATOM 216 NE2 GLN A 26 26.584 13.783 62.998 1.00 57.11 N +ATOM 217 N PHE A 27 30.812 12.949 64.286 1.00 54.60 N +ATOM 218 CA PHE A 27 31.726 11.973 64.864 1.00 55.96 C +ATOM 219 C PHE A 27 33.167 12.275 64.474 1.00 57.77 C +ATOM 220 O PHE A 27 33.471 12.452 63.289 1.00 60.36 O +ATOM 221 CB PHE A 27 31.352 10.554 64.406 1.00 54.55 C +ATOM 222 CG PHE A 27 30.026 10.067 64.941 1.00 50.94 C +ATOM 223 CD1 PHE A 27 29.849 9.850 66.304 1.00 51.36 C +ATOM 224 CD2 PHE A 27 28.950 9.851 64.087 1.00 49.21 C +ATOM 225 CE1 PHE A 27 28.613 9.425 66.811 1.00 48.61 C +ATOM 226 CE2 PHE A 27 27.715 9.427 64.582 1.00 49.13 C +ATOM 227 CZ PHE A 27 27.546 9.214 65.946 1.00 47.97 C +ATOM 228 N PRO A 82 35.345 -10.819 64.281 1.00 64.10 N +ATOM 229 CA PRO A 82 35.244 -10.265 62.921 1.00 64.33 C +ATOM 230 C PRO A 82 34.404 -8.975 62.905 1.00 63.36 C +ATOM 231 O PRO A 82 33.270 -8.966 62.425 1.00 64.28 O +ATOM 232 CB PRO A 82 34.598 -11.406 62.133 1.00 64.86 C +ATOM 233 CG PRO A 82 35.055 -12.622 62.878 1.00 64.69 C +ATOM 234 CD PRO A 82 34.925 -12.229 64.315 1.00 64.58 C +ATOM 235 N MET A 83 34.980 -7.897 63.439 1.00 62.27 N +ATOM 236 CA MET A 83 34.323 -6.589 63.543 1.00 59.52 C +ATOM 237 C MET A 83 33.415 -6.229 62.377 1.00 55.80 C +ATOM 238 O MET A 83 32.263 -5.856 62.587 1.00 54.65 O +ATOM 239 CB MET A 83 35.373 -5.495 63.729 1.00 62.53 C +ATOM 240 CG MET A 83 34.808 -4.119 64.051 1.00 65.90 C +ATOM 241 SD MET A 83 33.766 -4.043 65.540 1.00 72.09 S +ATOM 242 CE MET A 83 34.602 -5.218 66.627 1.00 70.33 C +ATOM 243 N ALA A 84 33.918 -6.340 61.152 1.00 51.76 N +ATOM 244 CA ALA A 84 33.111 -6.011 59.985 1.00 48.70 C +ATOM 245 C ALA A 84 31.818 -6.825 59.971 1.00 46.61 C +ATOM 246 O ALA A 84 30.753 -6.308 59.635 1.00 45.29 O +ATOM 247 CB ALA A 84 33.909 -6.258 58.704 1.00 48.87 C +ATOM 248 N ALA A 85 31.908 -8.094 60.355 1.00 43.49 N +ATOM 249 CA ALA A 85 30.737 -8.959 60.367 1.00 41.15 C +ATOM 250 C ALA A 85 29.767 -8.566 61.485 1.00 40.78 C +ATOM 251 O ALA A 85 28.555 -8.679 61.329 1.00 39.34 O +ATOM 252 CB ALA A 85 31.164 -10.412 60.529 1.00 40.24 C +ATOM 253 N VAL A 86 30.305 -8.117 62.612 1.00 38.95 N +ATOM 254 CA VAL A 86 29.462 -7.710 63.727 1.00 38.71 C +ATOM 255 C VAL A 86 28.669 -6.474 63.322 1.00 37.19 C +ATOM 256 O VAL A 86 27.450 -6.419 63.505 1.00 35.27 O +ATOM 257 CB VAL A 86 30.303 -7.380 64.979 1.00 38.83 C +ATOM 258 CG1 VAL A 86 29.391 -6.910 66.107 1.00 39.61 C +ATOM 259 CG2 VAL A 86 31.089 -8.609 65.412 1.00 41.04 C +ATOM 260 N LYS A 87 29.368 -5.485 62.773 1.00 35.70 N +ATOM 261 CA LYS A 87 28.739 -4.249 62.331 1.00 36.52 C +ATOM 262 C LYS A 87 27.601 -4.509 61.350 1.00 36.22 C +ATOM 263 O LYS A 87 26.512 -3.963 61.500 1.00 34.45 O +ATOM 264 CB LYS A 87 29.769 -3.326 61.672 1.00 37.13 C +ATOM 265 CG LYS A 87 30.816 -2.777 62.621 1.00 39.05 C +ATOM 266 CD LYS A 87 31.784 -1.871 61.880 1.00 40.63 C +ATOM 267 CE LYS A 87 32.929 -1.414 62.769 1.00 43.14 C +ATOM 268 NZ LYS A 87 33.911 -0.588 61.988 1.00 45.69 N +ATOM 269 N GLN A 88 27.854 -5.342 60.343 1.00 37.66 N +ATOM 270 CA GLN A 88 26.837 -5.644 59.344 1.00 37.53 C +ATOM 271 C GLN A 88 25.638 -6.350 59.965 1.00 35.29 C +ATOM 272 O GLN A 88 24.496 -6.018 59.664 1.00 35.54 O +ATOM 273 CB GLN A 88 27.418 -6.517 58.229 1.00 40.55 C +ATOM 274 CG GLN A 88 26.458 -6.737 57.062 1.00 44.82 C +ATOM 275 CD GLN A 88 25.960 -5.432 56.448 1.00 49.86 C +ATOM 276 OE1 GLN A 88 26.739 -4.506 56.194 1.00 52.29 O +ATOM 277 NE2 GLN A 88 24.655 -5.360 56.193 1.00 51.83 N +ATOM 278 N ALA A 89 25.904 -7.332 60.821 1.00 34.18 N +ATOM 279 CA ALA A 89 24.825 -8.063 61.478 1.00 33.44 C +ATOM 280 C ALA A 89 23.975 -7.099 62.303 1.00 31.34 C +ATOM 281 O ALA A 89 22.749 -7.180 62.284 1.00 29.53 O +ATOM 282 CB ALA A 89 25.396 -9.159 62.379 1.00 32.80 C +ATOM 283 N LEU A 90 24.626 -6.181 63.015 1.00 31.17 N +ATOM 284 CA LEU A 90 23.908 -5.220 63.858 1.00 32.04 C +ATOM 285 C LEU A 90 23.101 -4.208 63.029 1.00 32.03 C +ATOM 286 O LEU A 90 21.982 -3.847 63.392 1.00 30.43 O +ATOM 287 CB LEU A 90 24.885 -4.493 64.780 1.00 32.88 C +ATOM 288 CG LEU A 90 24.239 -3.483 65.734 1.00 33.68 C +ATOM 289 CD1 LEU A 90 23.217 -4.184 66.629 1.00 35.31 C +ATOM 290 CD2 LEU A 90 25.325 -2.825 66.586 1.00 35.39 C +ATOM 291 N ARG A 91 23.665 -3.744 61.918 1.00 31.11 N +ATOM 292 CA ARG A 91 22.933 -2.825 61.043 1.00 33.16 C +ATOM 293 C ARG A 91 21.625 -3.494 60.568 1.00 33.02 C +ATOM 294 O ARG A 91 20.551 -2.895 60.627 1.00 32.86 O +ATOM 295 CB ARG A 91 23.758 -2.469 59.805 1.00 33.60 C +ATOM 296 CG ARG A 91 24.994 -1.618 60.081 1.00 35.18 C +ATOM 297 CD ARG A 91 25.684 -1.303 58.760 1.00 39.73 C +ATOM 298 NE ARG A 91 26.912 -0.537 58.936 1.00 41.86 N +ATOM 299 CZ ARG A 91 27.488 0.185 57.976 1.00 45.29 C +ATOM 300 NH1 ARG A 91 26.948 0.253 56.758 1.00 42.88 N +ATOM 301 NH2 ARG A 91 28.613 0.839 58.234 1.00 44.49 N +ATOM 302 N GLU A 92 21.732 -4.728 60.086 1.00 33.02 N +ATOM 303 CA GLU A 92 20.562 -5.460 59.606 1.00 35.46 C +ATOM 304 C GLU A 92 19.584 -5.751 60.745 1.00 33.00 C +ATOM 305 O GLU A 92 18.365 -5.621 60.571 1.00 32.87 O +ATOM 306 CB GLU A 92 20.998 -6.766 58.940 1.00 39.96 C +ATOM 307 CG GLU A 92 21.837 -6.538 57.687 1.00 48.29 C +ATOM 308 CD GLU A 92 22.400 -7.818 57.108 1.00 53.18 C +ATOM 309 OE1 GLU A 92 22.964 -8.628 57.884 1.00 56.16 O +ATOM 310 OE2 GLU A 92 22.293 -8.004 55.875 1.00 56.37 O +ATOM 311 N ALA A 93 20.118 -6.136 61.904 1.00 30.63 N +ATOM 312 CA ALA A 93 19.272 -6.427 63.066 1.00 29.52 C +ATOM 313 C ALA A 93 18.432 -5.197 63.385 1.00 29.34 C +ATOM 314 O ALA A 93 17.223 -5.296 63.588 1.00 29.38 O +ATOM 315 CB ALA A 93 20.130 -6.805 64.276 1.00 28.04 C +ATOM 316 N GLY A 94 19.071 -4.030 63.421 1.00 27.65 N +ATOM 317 CA GLY A 94 18.334 -2.808 63.707 1.00 26.94 C +ATOM 318 C GLY A 94 17.245 -2.504 62.688 1.00 29.03 C +ATOM 319 O GLY A 94 16.137 -2.089 63.056 1.00 28.18 O +ATOM 320 N ASP A 95 17.539 -2.695 61.406 1.00 28.17 N +ATOM 321 CA ASP A 95 16.540 -2.429 60.373 1.00 30.43 C +ATOM 322 C ASP A 95 15.327 -3.347 60.573 1.00 31.31 C +ATOM 323 O ASP A 95 14.178 -2.909 60.471 1.00 32.19 O +ATOM 324 CB ASP A 95 17.128 -2.661 58.979 1.00 30.12 C +ATOM 325 CG ASP A 95 18.162 -1.616 58.599 1.00 31.03 C +ATOM 326 OD1 ASP A 95 18.112 -0.506 59.158 1.00 31.65 O +ATOM 327 OD2 ASP A 95 19.011 -1.903 57.726 1.00 32.77 O +ATOM 328 N GLU A 96 15.597 -4.612 60.871 1.00 33.23 N +ATOM 329 CA GLU A 96 14.532 -5.602 61.095 1.00 34.63 C +ATOM 330 C GLU A 96 13.689 -5.179 62.303 1.00 34.40 C +ATOM 331 O GLU A 96 12.458 -5.172 62.248 1.00 32.88 O +ATOM 332 CB GLU A 96 15.155 -6.980 61.333 1.00 36.05 C +ATOM 333 CG GLU A 96 14.158 -8.127 61.508 1.00 44.48 C +ATOM 334 CD GLU A 96 13.274 -8.327 60.289 1.00 48.71 C +ATOM 335 OE1 GLU A 96 13.815 -8.374 59.156 1.00 50.93 O +ATOM 336 OE2 GLU A 96 12.037 -8.442 60.469 1.00 54.68 O +ATOM 337 N PHE A 97 14.358 -4.800 63.388 1.00 33.91 N +ATOM 338 CA PHE A 97 13.660 -4.367 64.593 1.00 35.36 C +ATOM 339 C PHE A 97 12.751 -3.173 64.336 1.00 34.96 C +ATOM 340 O PHE A 97 11.573 -3.180 64.706 1.00 33.81 O +ATOM 341 CB PHE A 97 14.669 -4.004 65.688 1.00 37.44 C +ATOM 342 CG PHE A 97 14.037 -3.435 66.925 1.00 39.88 C +ATOM 343 CD1 PHE A 97 13.388 -4.260 67.837 1.00 42.77 C +ATOM 344 CD2 PHE A 97 14.060 -2.067 67.164 1.00 38.50 C +ATOM 345 CE1 PHE A 97 12.769 -3.723 68.968 1.00 40.93 C +ATOM 346 CE2 PHE A 97 13.447 -1.529 68.282 1.00 39.19 C +ATOM 347 CZ PHE A 97 12.800 -2.360 69.186 1.00 40.69 C +ATOM 348 N GLU A 98 13.293 -2.146 63.695 1.00 34.17 N +ATOM 349 CA GLU A 98 12.534 -0.934 63.416 1.00 37.19 C +ATOM 350 C GLU A 98 11.424 -1.165 62.401 1.00 40.75 C +ATOM 351 O GLU A 98 10.473 -0.388 62.310 1.00 39.96 O +ATOM 352 CB GLU A 98 13.486 0.165 62.934 1.00 36.31 C +ATOM 353 CG GLU A 98 14.373 0.675 64.061 1.00 35.63 C +ATOM 354 CD GLU A 98 15.595 1.425 63.569 1.00 35.25 C +ATOM 355 OE1 GLU A 98 15.536 1.985 62.460 1.00 34.04 O +ATOM 356 OE2 GLU A 98 16.610 1.461 64.302 1.00 35.12 O +ATOM 357 N LEU A 99 11.548 -2.248 61.648 1.00 42.96 N +ATOM 358 CA LEU A 99 10.554 -2.589 60.648 1.00 48.72 C +ATOM 359 C LEU A 99 9.260 -2.973 61.370 1.00 50.73 C +ATOM 360 O LEU A 99 8.168 -2.617 60.932 1.00 51.62 O +ATOM 361 CB LEU A 99 11.075 -3.746 59.795 1.00 49.24 C +ATOM 362 CG LEU A 99 10.394 -4.002 58.457 1.00 53.64 C +ATOM 363 CD1 LEU A 99 10.254 -2.690 57.677 1.00 53.02 C +ATOM 364 CD2 LEU A 99 11.218 -5.030 57.675 1.00 53.31 C +ATOM 365 N ARG A 100 9.395 -3.680 62.487 1.00 54.47 N +ATOM 366 CA ARG A 100 8.244 -4.099 63.290 1.00 58.58 C +ATOM 367 C ARG A 100 7.809 -2.998 64.249 1.00 60.03 C +ATOM 368 O ARG A 100 6.651 -2.586 64.251 1.00 61.34 O +ATOM 369 CB ARG A 100 8.583 -5.354 64.087 1.00 59.76 C +ATOM 370 CG ARG A 100 8.852 -6.567 63.227 1.00 62.52 C +ATOM 371 CD ARG A 100 9.467 -7.698 64.042 1.00 64.37 C +ATOM 372 NE ARG A 100 10.770 -7.322 64.587 1.00 64.37 N +ATOM 373 CZ ARG A 100 11.652 -8.178 65.095 1.00 63.85 C +ATOM 374 NH1 ARG A 100 11.378 -9.475 65.130 1.00 61.81 N +ATOM 375 NH2 ARG A 100 12.811 -7.736 65.565 1.00 61.67 N +ATOM 376 N TYR A 101 8.739 -2.531 65.074 1.00 61.23 N +ATOM 377 CA TYR A 101 8.454 -1.466 66.026 1.00 62.19 C +ATOM 378 C TYR A 101 8.839 -0.139 65.400 1.00 63.88 C +ATOM 379 O TYR A 101 10.022 0.133 65.211 1.00 64.62 O +ATOM 380 CB TYR A 101 9.265 -1.675 67.301 1.00 62.60 C +ATOM 381 CG TYR A 101 9.219 -0.507 68.271 1.00 63.71 C +ATOM 382 CD1 TYR A 101 8.064 -0.218 69.000 1.00 63.43 C +ATOM 383 CD2 TYR A 101 10.345 0.294 68.480 1.00 64.11 C +ATOM 384 CE1 TYR A 101 8.036 0.831 69.917 1.00 63.29 C +ATOM 385 CE2 TYR A 101 10.325 1.347 69.391 1.00 63.62 C +ATOM 386 CZ TYR A 101 9.170 1.609 70.108 1.00 63.79 C +ATOM 387 OH TYR A 101 9.162 2.638 71.025 1.00 62.75 O +ATOM 388 N ARG A 102 7.850 0.692 65.084 1.00 65.97 N +ATOM 389 CA ARG A 102 8.125 1.985 64.468 1.00 67.81 C +ATOM 390 C ARG A 102 7.772 3.189 65.343 1.00 68.15 C +ATOM 391 O ARG A 102 7.714 4.318 64.856 1.00 68.62 O +ATOM 392 CB ARG A 102 7.394 2.082 63.125 1.00 69.93 C +ATOM 393 CG ARG A 102 5.970 1.558 63.152 1.00 73.63 C +ATOM 394 CD ARG A 102 5.258 1.778 61.819 1.00 76.41 C +ATOM 395 NE ARG A 102 5.004 3.194 61.556 1.00 78.81 N +ATOM 396 CZ ARG A 102 4.328 3.652 60.505 1.00 79.62 C +ATOM 397 NH1 ARG A 102 3.834 2.806 59.611 1.00 80.13 N +ATOM 398 NH2 ARG A 102 4.138 4.957 60.351 1.00 80.30 N +ATOM 399 N ARG A 103 7.556 2.950 66.633 1.00 68.53 N +ATOM 400 CA ARG A 103 7.207 4.023 67.561 1.00 68.35 C +ATOM 401 C ARG A 103 8.403 4.921 67.873 1.00 67.36 C +ATOM 402 O ARG A 103 8.231 6.064 68.302 1.00 67.28 O +ATOM 403 CB ARG A 103 6.651 3.433 68.855 1.00 71.16 C +ATOM 404 CG ARG A 103 5.926 4.422 69.759 1.00 74.15 C +ATOM 405 CD ARG A 103 5.391 3.722 71.010 1.00 76.69 C +ATOM 406 NE ARG A 103 6.443 3.453 71.991 1.00 77.83 N +ATOM 407 CZ ARG A 103 6.872 4.342 72.881 1.00 78.93 C +ATOM 408 NH1 ARG A 103 6.334 5.553 72.912 1.00 79.39 N +ATOM 409 NH2 ARG A 103 7.836 4.024 73.737 1.00 79.57 N +ATOM 410 N ALA A 104 9.611 4.398 67.663 1.00 66.03 N +ATOM 411 CA ALA A 104 10.850 5.146 67.894 1.00 63.32 C +ATOM 412 C ALA A 104 11.093 5.549 69.352 1.00 62.11 C +ATOM 413 O ALA A 104 11.716 6.583 69.622 1.00 62.41 O +ATOM 414 CB ALA A 104 10.886 6.390 66.988 1.00 63.78 C +ATOM 415 N PHE A 105 10.600 4.734 70.285 1.00 59.58 N +ATOM 416 CA PHE A 105 10.776 4.984 71.718 1.00 56.04 C +ATOM 417 C PHE A 105 10.343 6.379 72.167 1.00 55.58 C +ATOM 418 O PHE A 105 10.976 6.984 73.037 1.00 54.39 O +ATOM 419 CB PHE A 105 12.243 4.763 72.115 1.00 53.43 C +ATOM 420 CG PHE A 105 12.800 3.429 71.686 1.00 50.47 C +ATOM 421 CD1 PHE A 105 13.341 3.260 70.415 1.00 47.20 C +ATOM 422 CD2 PHE A 105 12.779 2.339 72.555 1.00 48.41 C +ATOM 423 CE1 PHE A 105 13.858 2.021 70.012 1.00 45.57 C +ATOM 424 CE2 PHE A 105 13.290 1.101 72.164 1.00 46.54 C +ATOM 425 CZ PHE A 105 13.832 0.942 70.889 1.00 44.76 C +ATOM 426 N SER A 106 9.266 6.885 71.571 1.00 56.39 N +ATOM 427 CA SER A 106 8.744 8.210 71.901 1.00 57.04 C +ATOM 428 C SER A 106 8.551 8.369 73.404 1.00 56.31 C +ATOM 429 O SER A 106 8.859 9.411 73.981 1.00 56.16 O +ATOM 430 CB SER A 106 7.411 8.442 71.182 1.00 58.63 C +ATOM 431 OG SER A 106 7.590 8.452 69.773 1.00 61.05 O +ATOM 432 N ASP A 107 8.035 7.324 74.035 1.00 55.79 N +ATOM 433 CA ASP A 107 7.809 7.355 75.467 1.00 56.14 C +ATOM 434 C ASP A 107 9.137 7.475 76.211 1.00 54.84 C +ATOM 435 O ASP A 107 9.297 8.333 77.088 1.00 53.34 O +ATOM 436 CB ASP A 107 7.069 6.092 75.901 1.00 59.81 C +ATOM 437 CG ASP A 107 6.967 5.969 77.402 1.00 64.00 C +ATOM 438 OD1 ASP A 107 6.410 6.892 78.050 1.00 66.48 O +ATOM 439 OD2 ASP A 107 7.449 4.942 77.934 1.00 67.18 O +ATOM 440 N LEU A 108 10.093 6.620 75.860 1.00 52.47 N +ATOM 441 CA LEU A 108 11.395 6.665 76.509 1.00 52.84 C +ATOM 442 C LEU A 108 12.119 7.986 76.241 1.00 53.23 C +ATOM 443 O LEU A 108 12.693 8.582 77.158 1.00 53.29 O +ATOM 444 CB LEU A 108 12.270 5.488 76.057 1.00 51.09 C +ATOM 445 CG LEU A 108 11.875 4.113 76.604 1.00 51.99 C +ATOM 446 CD1 LEU A 108 12.943 3.090 76.231 1.00 51.50 C +ATOM 447 CD2 LEU A 108 11.722 4.182 78.120 1.00 50.11 C +ATOM 448 N THR A 109 12.096 8.450 74.994 1.00 53.18 N +ATOM 449 CA THR A 109 12.765 9.706 74.679 1.00 54.45 C +ATOM 450 C THR A 109 12.082 10.847 75.435 1.00 55.57 C +ATOM 451 O THR A 109 12.744 11.784 75.888 1.00 55.19 O +ATOM 452 CB THR A 109 12.762 9.995 73.155 1.00 54.19 C +ATOM 453 OG1 THR A 109 11.418 10.012 72.664 1.00 54.76 O +ATOM 454 CG2 THR A 109 13.549 8.925 72.410 1.00 53.46 C +ATOM 455 N SER A 110 10.759 10.760 75.575 1.00 56.77 N +ATOM 456 CA SER A 110 10.005 11.775 76.308 1.00 57.20 C +ATOM 457 C SER A 110 10.448 11.727 77.761 1.00 56.34 C +ATOM 458 O SER A 110 10.641 12.764 78.389 1.00 57.76 O +ATOM 459 CB SER A 110 8.492 11.517 76.227 1.00 58.10 C +ATOM 460 OG SER A 110 7.987 11.783 74.931 1.00 59.36 O +ATOM 461 N GLN A 111 10.611 10.518 78.294 1.00 55.68 N +ATOM 462 CA GLN A 111 11.054 10.354 79.675 1.00 54.92 C +ATOM 463 C GLN A 111 12.422 10.990 79.857 1.00 54.14 C +ATOM 464 O GLN A 111 12.769 11.440 80.951 1.00 52.71 O +ATOM 465 CB GLN A 111 11.160 8.872 80.049 1.00 56.07 C +ATOM 466 CG GLN A 111 9.843 8.176 80.326 1.00 58.59 C +ATOM 467 CD GLN A 111 10.039 6.772 80.878 1.00 59.72 C +ATOM 468 OE1 GLN A 111 10.771 6.572 81.851 1.00 59.96 O +ATOM 469 NE2 GLN A 111 9.382 5.793 80.262 1.00 60.27 N +ATOM 470 N LEU A 112 13.201 11.021 78.779 1.00 52.22 N +ATOM 471 CA LEU A 112 14.536 11.587 78.842 1.00 52.85 C +ATOM 472 C LEU A 112 14.627 13.055 78.414 1.00 54.69 C +ATOM 473 O LEU A 112 15.378 13.817 79.026 1.00 55.85 O +ATOM 474 CB LEU A 112 15.504 10.742 77.999 1.00 48.98 C +ATOM 475 CG LEU A 112 16.993 11.109 78.072 1.00 48.96 C +ATOM 476 CD1 LEU A 112 17.505 10.961 79.500 1.00 44.94 C +ATOM 477 CD2 LEU A 112 17.792 10.227 77.109 1.00 45.41 C +ATOM 478 N HIS A 113 13.859 13.454 77.396 1.00 56.59 N +ATOM 479 CA HIS A 113 13.907 14.831 76.869 1.00 59.22 C +ATOM 480 C HIS A 113 15.341 15.334 76.970 1.00 58.70 C +ATOM 481 O HIS A 113 15.682 16.140 77.837 1.00 59.13 O +ATOM 482 CB HIS A 113 12.943 15.783 77.614 1.00 63.00 C +ATOM 483 CG HIS A 113 13.094 15.788 79.108 1.00 66.39 C +ATOM 484 ND1 HIS A 113 12.554 14.810 79.917 1.00 68.27 N +ATOM 485 CD2 HIS A 113 13.701 16.668 79.940 1.00 68.04 C +ATOM 486 CE1 HIS A 113 12.821 15.087 81.181 1.00 68.13 C +ATOM 487 NE2 HIS A 113 13.516 16.210 81.222 1.00 69.26 N +ATOM 488 N ILE A 114 16.178 14.839 76.066 1.00 56.79 N +ATOM 489 CA ILE A 114 17.589 15.179 76.067 1.00 55.33 C +ATOM 490 C ILE A 114 17.948 16.598 75.629 1.00 54.47 C +ATOM 491 O ILE A 114 17.446 17.120 74.628 1.00 54.22 O +ATOM 492 CB ILE A 114 18.382 14.160 75.218 1.00 54.48 C +ATOM 493 CG1 ILE A 114 19.885 14.359 75.411 1.00 55.66 C +ATOM 494 CG2 ILE A 114 18.006 14.298 73.770 1.00 55.34 C +ATOM 495 CD1 ILE A 114 20.726 13.294 74.736 1.00 54.35 C +ATOM 496 N THR A 115 18.822 17.212 76.420 1.00 53.46 N +ATOM 497 CA THR A 115 19.325 18.555 76.169 1.00 52.64 C +ATOM 498 C THR A 115 20.815 18.499 76.502 1.00 52.67 C +ATOM 499 O THR A 115 21.275 17.555 77.150 1.00 51.12 O +ATOM 500 CB THR A 115 18.661 19.604 77.093 1.00 51.26 C +ATOM 501 OG1 THR A 115 18.955 19.295 78.462 1.00 50.21 O +ATOM 502 CG2 THR A 115 17.150 19.619 76.888 1.00 51.31 C +ATOM 503 N PRO A 116 21.588 19.506 76.065 1.00 52.19 N +ATOM 504 CA PRO A 116 23.027 19.520 76.351 1.00 51.71 C +ATOM 505 C PRO A 116 23.323 19.443 77.849 1.00 50.59 C +ATOM 506 O PRO A 116 24.454 19.181 78.256 1.00 52.16 O +ATOM 507 CB PRO A 116 23.486 20.843 75.736 1.00 51.76 C +ATOM 508 CG PRO A 116 22.555 21.000 74.571 1.00 52.34 C +ATOM 509 CD PRO A 116 21.220 20.628 75.182 1.00 52.60 C +ATOM 510 N GLY A 117 22.300 19.670 78.665 1.00 49.35 N +ATOM 511 CA GLY A 117 22.483 19.620 80.103 1.00 48.26 C +ATOM 512 C GLY A 117 22.232 18.248 80.706 1.00 48.03 C +ATOM 513 O GLY A 117 22.583 18.002 81.857 1.00 47.97 O +ATOM 514 N THR A 118 21.632 17.349 79.930 1.00 47.79 N +ATOM 515 CA THR A 118 21.328 16.002 80.416 1.00 46.63 C +ATOM 516 C THR A 118 22.600 15.249 80.799 1.00 44.82 C +ATOM 517 O THR A 118 23.601 15.304 80.085 1.00 44.02 O +ATOM 518 CB THR A 118 20.560 15.194 79.344 1.00 48.22 C +ATOM 519 OG1 THR A 118 19.369 15.901 78.970 1.00 47.98 O +ATOM 520 CG2 THR A 118 20.170 13.818 79.883 1.00 49.10 C +ATOM 521 N ALA A 119 22.557 14.556 81.936 1.00 43.33 N +ATOM 522 CA ALA A 119 23.699 13.783 82.419 1.00 43.35 C +ATOM 523 C ALA A 119 23.521 12.282 82.145 1.00 42.16 C +ATOM 524 O ALA A 119 22.395 11.794 82.006 1.00 40.84 O +ATOM 525 CB ALA A 119 23.881 14.008 83.907 1.00 43.80 C +ATOM 526 N TYR A 120 24.640 11.561 82.089 1.00 41.36 N +ATOM 527 CA TYR A 120 24.636 10.118 81.831 1.00 40.27 C +ATOM 528 C TYR A 120 23.664 9.339 82.719 1.00 40.24 C +ATOM 529 O TYR A 120 22.897 8.507 82.237 1.00 40.42 O +ATOM 530 CB TYR A 120 26.046 9.545 82.009 1.00 39.45 C +ATOM 531 CG TYR A 120 26.086 8.036 81.869 1.00 39.91 C +ATOM 532 CD1 TYR A 120 25.882 7.423 80.628 1.00 38.23 C +ATOM 533 CD2 TYR A 120 26.259 7.219 82.986 1.00 38.31 C +ATOM 534 CE1 TYR A 120 25.845 6.025 80.507 1.00 38.25 C +ATOM 535 CE2 TYR A 120 26.221 5.820 82.875 1.00 38.21 C +ATOM 536 CZ TYR A 120 26.013 5.234 81.633 1.00 37.42 C +ATOM 537 OH TYR A 120 25.970 3.858 81.519 1.00 36.67 O +ATOM 538 N GLN A 121 23.696 9.612 84.019 1.00 40.58 N +ATOM 539 CA GLN A 121 22.826 8.932 84.964 1.00 41.11 C +ATOM 540 C GLN A 121 21.368 8.937 84.510 1.00 40.22 C +ATOM 541 O GLN A 121 20.655 7.944 84.676 1.00 39.50 O +ATOM 542 CB GLN A 121 22.965 9.573 86.350 1.00 44.67 C +ATOM 543 CG GLN A 121 23.735 10.898 86.340 1.00 52.21 C +ATOM 544 CD GLN A 121 25.220 10.724 86.009 1.00 54.64 C +ATOM 545 OE1 GLN A 121 25.801 11.512 85.253 1.00 55.67 O +ATOM 546 NE2 GLN A 121 25.840 9.691 86.586 1.00 56.31 N +ATOM 547 N SER A 122 20.921 10.046 83.927 1.00 39.51 N +ATOM 548 CA SER A 122 19.548 10.139 83.447 1.00 39.04 C +ATOM 549 C SER A 122 19.369 9.202 82.252 1.00 37.63 C +ATOM 550 O SER A 122 18.365 8.498 82.135 1.00 37.11 O +ATOM 551 CB SER A 122 19.230 11.583 83.044 1.00 40.34 C +ATOM 552 OG SER A 122 19.479 12.452 84.135 1.00 43.05 O +ATOM 553 N PHE A 123 20.349 9.212 81.359 1.00 37.57 N +ATOM 554 CA PHE A 123 20.323 8.344 80.186 1.00 35.60 C +ATOM 555 C PHE A 123 20.267 6.890 80.682 1.00 35.07 C +ATOM 556 O PHE A 123 19.408 6.104 80.271 1.00 33.49 O +ATOM 557 CB PHE A 123 21.595 8.567 79.364 1.00 34.06 C +ATOM 558 CG PHE A 123 21.801 7.563 78.263 1.00 33.64 C +ATOM 559 CD1 PHE A 123 21.091 7.656 77.074 1.00 32.01 C +ATOM 560 CD2 PHE A 123 22.721 6.527 78.419 1.00 32.60 C +ATOM 561 CE1 PHE A 123 21.290 6.744 76.051 1.00 33.10 C +ATOM 562 CE2 PHE A 123 22.932 5.601 77.400 1.00 33.45 C +ATOM 563 CZ PHE A 123 22.213 5.712 76.210 1.00 32.83 C +ATOM 564 N GLU A 124 21.190 6.555 81.577 1.00 34.66 N +ATOM 565 CA GLU A 124 21.284 5.209 82.142 1.00 36.14 C +ATOM 566 C GLU A 124 19.971 4.760 82.775 1.00 36.15 C +ATOM 567 O GLU A 124 19.536 3.623 82.586 1.00 33.43 O +ATOM 568 CB GLU A 124 22.405 5.162 83.190 1.00 36.43 C +ATOM 569 CG GLU A 124 22.572 3.809 83.901 1.00 38.39 C +ATOM 570 CD GLU A 124 23.567 3.871 85.056 1.00 41.04 C +ATOM 571 OE1 GLU A 124 23.522 4.853 85.832 1.00 40.38 O +ATOM 572 OE2 GLU A 124 24.389 2.939 85.198 1.00 38.86 O +ATOM 573 N GLN A 125 19.336 5.657 83.524 1.00 35.94 N +ATOM 574 CA GLN A 125 18.082 5.324 84.190 1.00 37.33 C +ATOM 575 C GLN A 125 16.966 4.982 83.207 1.00 35.75 C +ATOM 576 O GLN A 125 16.191 4.058 83.437 1.00 33.84 O +ATOM 577 CB GLN A 125 17.638 6.474 85.099 1.00 42.08 C +ATOM 578 CG GLN A 125 17.067 5.990 86.411 1.00 50.07 C +ATOM 579 CD GLN A 125 18.099 5.233 87.236 1.00 54.99 C +ATOM 580 OE1 GLN A 125 17.754 4.426 88.103 1.00 58.88 O +ATOM 581 NE2 GLN A 125 19.374 5.499 86.972 1.00 59.12 N +ATOM 582 N VAL A 126 16.882 5.727 82.108 1.00 35.00 N +ATOM 583 CA VAL A 126 15.856 5.472 81.107 1.00 33.68 C +ATOM 584 C VAL A 126 16.161 4.189 80.321 1.00 32.45 C +ATOM 585 O VAL A 126 15.266 3.374 80.070 1.00 31.52 O +ATOM 586 CB VAL A 126 15.735 6.669 80.123 1.00 35.34 C +ATOM 587 CG1 VAL A 126 14.705 6.364 79.040 1.00 35.86 C +ATOM 588 CG2 VAL A 126 15.320 7.928 80.897 1.00 37.89 C +ATOM 589 N VAL A 127 17.419 4.017 79.925 1.00 30.11 N +ATOM 590 CA VAL A 127 17.805 2.828 79.170 1.00 30.37 C +ATOM 591 C VAL A 127 17.554 1.571 80.009 1.00 29.92 C +ATOM 592 O VAL A 127 17.201 0.518 79.474 1.00 29.39 O +ATOM 593 CB VAL A 127 19.300 2.901 78.736 1.00 30.97 C +ATOM 594 CG1 VAL A 127 19.735 1.587 78.102 1.00 29.11 C +ATOM 595 CG2 VAL A 127 19.489 4.051 77.748 1.00 29.66 C +ATOM 596 N ASN A 128 17.724 1.683 81.323 1.00 29.97 N +ATOM 597 CA ASN A 128 17.484 0.550 82.212 1.00 31.22 C +ATOM 598 C ASN A 128 16.075 -0.019 81.986 1.00 31.99 C +ATOM 599 O ASN A 128 15.842 -1.205 82.199 1.00 31.97 O +ATOM 600 CB ASN A 128 17.613 0.971 83.681 1.00 31.42 C +ATOM 601 CG ASN A 128 19.045 0.991 84.184 1.00 32.32 C +ATOM 602 OD1 ASN A 128 19.294 1.423 85.320 1.00 37.00 O +ATOM 603 ND2 ASN A 128 19.991 0.528 83.371 1.00 26.80 N +ATOM 604 N GLU A 129 15.138 0.825 81.558 1.00 32.04 N +ATOM 605 CA GLU A 129 13.762 0.386 81.312 1.00 35.03 C +ATOM 606 C GLU A 129 13.673 -0.746 80.284 1.00 34.05 C +ATOM 607 O GLU A 129 12.788 -1.597 80.371 1.00 32.44 O +ATOM 608 CB GLU A 129 12.902 1.562 80.830 1.00 39.81 C +ATOM 609 CG GLU A 129 12.893 2.762 81.755 1.00 48.00 C +ATOM 610 CD GLU A 129 12.017 2.569 82.976 1.00 54.26 C +ATOM 611 OE1 GLU A 129 12.203 1.568 83.703 1.00 57.71 O +ATOM 612 OE2 GLU A 129 11.141 3.431 83.213 1.00 58.36 O +ATOM 613 N LEU A 130 14.585 -0.750 79.312 1.00 30.95 N +ATOM 614 CA LEU A 130 14.600 -1.782 78.282 1.00 30.99 C +ATOM 615 C LEU A 130 15.020 -3.125 78.869 1.00 30.82 C +ATOM 616 O LEU A 130 14.742 -4.175 78.298 1.00 31.88 O +ATOM 617 CB LEU A 130 15.606 -1.423 77.180 1.00 29.04 C +ATOM 618 CG LEU A 130 15.337 -0.174 76.341 1.00 31.12 C +ATOM 619 CD1 LEU A 130 16.486 0.042 75.369 1.00 30.49 C +ATOM 620 CD2 LEU A 130 14.029 -0.332 75.587 1.00 30.11 C +ATOM 621 N PHE A 131 15.698 -3.078 80.010 1.00 30.00 N +ATOM 622 CA PHE A 131 16.222 -4.280 80.635 1.00 30.10 C +ATOM 623 C PHE A 131 15.632 -4.623 81.998 1.00 30.81 C +ATOM 624 O PHE A 131 16.319 -5.209 82.842 1.00 32.78 O +ATOM 625 CB PHE A 131 17.738 -4.141 80.756 1.00 26.12 C +ATOM 626 CG PHE A 131 18.426 -3.878 79.438 1.00 28.52 C +ATOM 627 CD1 PHE A 131 18.638 -4.913 78.532 1.00 25.94 C +ATOM 628 CD2 PHE A 131 18.808 -2.581 79.084 1.00 27.65 C +ATOM 629 CE1 PHE A 131 19.220 -4.670 77.275 1.00 28.07 C +ATOM 630 CE2 PHE A 131 19.390 -2.313 77.833 1.00 27.51 C +ATOM 631 CZ PHE A 131 19.596 -3.356 76.924 1.00 30.23 C +ATOM 632 N ARG A 132 14.371 -4.273 82.216 1.00 31.64 N +ATOM 633 CA ARG A 132 13.738 -4.567 83.495 1.00 34.57 C +ATOM 634 C ARG A 132 13.630 -6.072 83.723 1.00 34.19 C +ATOM 635 O ARG A 132 13.542 -6.523 84.869 1.00 33.75 O +ATOM 636 CB ARG A 132 12.353 -3.922 83.592 1.00 37.85 C +ATOM 637 CG ARG A 132 11.390 -4.328 82.505 1.00 47.02 C +ATOM 638 CD ARG A 132 9.949 -3.996 82.889 1.00 54.85 C +ATOM 639 NE ARG A 132 9.114 -3.750 81.712 1.00 61.81 N +ATOM 640 CZ ARG A 132 8.949 -4.606 80.706 1.00 64.70 C +ATOM 641 NH1 ARG A 132 9.560 -5.784 80.721 1.00 67.54 N +ATOM 642 NH2 ARG A 132 8.180 -4.277 79.674 1.00 66.94 N +ATOM 643 N ASP A 133 13.629 -6.847 82.638 1.00 32.48 N +ATOM 644 CA ASP A 133 13.564 -8.301 82.744 1.00 31.23 C +ATOM 645 C ASP A 133 14.925 -8.899 82.360 1.00 30.11 C +ATOM 646 O ASP A 133 15.034 -10.070 81.998 1.00 28.06 O +ATOM 647 CB ASP A 133 12.451 -8.866 81.840 1.00 37.11 C +ATOM 648 CG ASP A 133 11.040 -8.415 82.276 1.00 45.77 C +ATOM 649 OD1 ASP A 133 10.790 -8.285 83.499 1.00 49.24 O +ATOM 650 OD2 ASP A 133 10.168 -8.201 81.402 1.00 48.33 O +ATOM 651 N GLY A 134 15.968 -8.083 82.440 1.00 29.57 N +ATOM 652 CA GLY A 134 17.295 -8.558 82.102 1.00 28.03 C +ATOM 653 C GLY A 134 17.636 -8.355 80.632 1.00 28.61 C +ATOM 654 O GLY A 134 16.839 -7.842 79.848 1.00 28.03 O +ATOM 655 N VAL A 135 18.829 -8.785 80.264 1.00 27.80 N +ATOM 656 CA VAL A 135 19.337 -8.652 78.906 1.00 28.20 C +ATOM 657 C VAL A 135 19.052 -9.865 78.023 1.00 29.19 C +ATOM 658 O VAL A 135 18.944 -10.985 78.508 1.00 27.57 O +ATOM 659 CB VAL A 135 20.882 -8.473 78.928 1.00 28.23 C +ATOM 660 CG1 VAL A 135 21.433 -8.302 77.491 1.00 28.42 C +ATOM 661 CG2 VAL A 135 21.265 -7.269 79.808 1.00 26.66 C +ATOM 662 N ASN A 136 18.885 -9.607 76.732 1.00 29.08 N +ATOM 663 CA ASN A 136 18.771 -10.647 75.712 1.00 29.71 C +ATOM 664 C ASN A 136 19.160 -9.946 74.413 1.00 29.96 C +ATOM 665 O ASN A 136 19.267 -8.713 74.387 1.00 27.40 O +ATOM 666 CB ASN A 136 17.394 -11.368 75.664 1.00 28.69 C +ATOM 667 CG ASN A 136 16.248 -10.517 75.127 1.00 30.63 C +ATOM 668 OD1 ASN A 136 16.430 -9.568 74.361 1.00 28.86 O +ATOM 669 ND2 ASN A 136 15.032 -10.896 75.522 1.00 30.68 N +ATOM 670 N TRP A 137 19.429 -10.714 73.362 1.00 28.40 N +ATOM 671 CA TRP A 137 19.863 -10.131 72.096 1.00 28.24 C +ATOM 672 C TRP A 137 18.902 -9.098 71.535 1.00 27.36 C +ATOM 673 O TRP A 137 19.334 -8.046 71.060 1.00 27.28 O +ATOM 674 CB TRP A 137 20.110 -11.234 71.056 1.00 27.41 C +ATOM 675 CG TRP A 137 21.193 -12.201 71.469 1.00 29.21 C +ATOM 676 CD1 TRP A 137 21.047 -13.541 71.716 1.00 30.54 C +ATOM 677 CD2 TRP A 137 22.573 -11.904 71.692 1.00 29.28 C +ATOM 678 NE1 TRP A 137 22.251 -14.093 72.077 1.00 29.26 N +ATOM 679 CE2 TRP A 137 23.205 -13.113 72.073 1.00 31.20 C +ATOM 680 CE3 TRP A 137 23.343 -10.737 71.607 1.00 32.98 C +ATOM 681 CZ2 TRP A 137 24.568 -13.186 72.367 1.00 30.80 C +ATOM 682 CZ3 TRP A 137 24.700 -10.810 71.897 1.00 33.51 C +ATOM 683 CH2 TRP A 137 25.300 -12.030 72.273 1.00 33.38 C +ATOM 684 N GLY A 138 17.608 -9.388 71.601 1.00 25.38 N +ATOM 685 CA GLY A 138 16.622 -8.452 71.082 1.00 27.61 C +ATOM 686 C GLY A 138 16.629 -7.107 71.809 1.00 28.67 C +ATOM 687 O GLY A 138 16.447 -6.058 71.183 1.00 24.14 O +ATOM 688 N ARG A 139 16.831 -7.141 73.126 1.00 26.29 N +ATOM 689 CA ARG A 139 16.871 -5.926 73.931 1.00 27.60 C +ATOM 690 C ARG A 139 18.151 -5.139 73.664 1.00 27.03 C +ATOM 691 O ARG A 139 18.170 -3.920 73.771 1.00 25.34 O +ATOM 692 CB ARG A 139 16.740 -6.271 75.417 1.00 30.26 C +ATOM 693 CG ARG A 139 15.322 -6.062 75.934 1.00 37.77 C +ATOM 694 CD ARG A 139 14.519 -7.315 76.130 1.00 42.40 C +ATOM 695 NE ARG A 139 14.926 -8.031 77.330 1.00 43.63 N +ATOM 696 CZ ARG A 139 14.193 -8.942 77.971 1.00 44.24 C +ATOM 697 NH1 ARG A 139 12.980 -9.274 77.553 1.00 45.78 N +ATOM 698 NH2 ARG A 139 14.698 -9.553 79.028 1.00 40.22 N +ATOM 699 N ILE A 140 19.226 -5.837 73.319 1.00 27.04 N +ATOM 700 CA ILE A 140 20.478 -5.158 72.978 1.00 25.68 C +ATOM 701 C ILE A 140 20.263 -4.429 71.637 1.00 27.38 C +ATOM 702 O ILE A 140 20.701 -3.286 71.454 1.00 25.77 O +ATOM 703 CB ILE A 140 21.635 -6.164 72.855 1.00 26.35 C +ATOM 704 CG1 ILE A 140 22.069 -6.588 74.264 1.00 28.19 C +ATOM 705 CG2 ILE A 140 22.820 -5.531 72.132 1.00 26.30 C +ATOM 706 CD1 ILE A 140 22.952 -7.823 74.315 1.00 27.34 C +ATOM 707 N VAL A 141 19.582 -5.089 70.705 1.00 25.96 N +ATOM 708 CA VAL A 141 19.294 -4.468 69.414 1.00 25.54 C +ATOM 709 C VAL A 141 18.399 -3.244 69.676 1.00 25.90 C +ATOM 710 O VAL A 141 18.630 -2.161 69.116 1.00 25.30 O +ATOM 711 CB VAL A 141 18.606 -5.484 68.442 1.00 27.01 C +ATOM 712 CG1 VAL A 141 18.112 -4.772 67.163 1.00 24.82 C +ATOM 713 CG2 VAL A 141 19.605 -6.593 68.063 1.00 26.01 C +ATOM 714 N ALA A 142 17.392 -3.391 70.542 1.00 25.11 N +ATOM 715 CA ALA A 142 16.517 -2.257 70.864 1.00 24.89 C +ATOM 716 C ALA A 142 17.327 -1.090 71.446 1.00 24.41 C +ATOM 717 O ALA A 142 17.044 0.058 71.153 1.00 24.51 O +ATOM 718 CB ALA A 142 15.416 -2.671 71.854 1.00 26.83 C +ATOM 719 N PHE A 143 18.319 -1.398 72.274 1.00 24.43 N +ATOM 720 CA PHE A 143 19.197 -0.387 72.883 1.00 24.75 C +ATOM 721 C PHE A 143 19.927 0.398 71.779 1.00 24.91 C +ATOM 722 O PHE A 143 19.999 1.627 71.822 1.00 22.48 O +ATOM 723 CB PHE A 143 20.199 -1.090 73.820 1.00 26.00 C +ATOM 724 CG PHE A 143 21.483 -0.330 74.050 1.00 25.14 C +ATOM 725 CD1 PHE A 143 21.551 0.698 74.987 1.00 24.20 C +ATOM 726 CD2 PHE A 143 22.637 -0.673 73.347 1.00 24.77 C +ATOM 727 CE1 PHE A 143 22.759 1.371 75.226 1.00 24.29 C +ATOM 728 CE2 PHE A 143 23.851 -0.008 73.575 1.00 26.79 C +ATOM 729 CZ PHE A 143 23.910 1.019 74.520 1.00 26.15 C +ATOM 730 N PHE A 144 20.473 -0.304 70.792 1.00 24.29 N +ATOM 731 CA PHE A 144 21.146 0.385 69.695 1.00 24.17 C +ATOM 732 C PHE A 144 20.138 1.254 68.937 1.00 26.04 C +ATOM 733 O PHE A 144 20.400 2.431 68.659 1.00 23.65 O +ATOM 734 CB PHE A 144 21.811 -0.626 68.757 1.00 24.61 C +ATOM 735 CG PHE A 144 23.174 -1.061 69.219 1.00 25.97 C +ATOM 736 CD1 PHE A 144 24.286 -0.236 69.017 1.00 24.50 C +ATOM 737 CD2 PHE A 144 23.350 -2.274 69.877 1.00 27.84 C +ATOM 738 CE1 PHE A 144 25.544 -0.615 69.463 1.00 25.87 C +ATOM 739 CE2 PHE A 144 24.612 -2.660 70.330 1.00 28.87 C +ATOM 740 CZ PHE A 144 25.707 -1.833 70.123 1.00 28.44 C +ATOM 741 N SER A 145 18.975 0.689 68.630 1.00 24.58 N +ATOM 742 CA SER A 145 17.936 1.425 67.914 1.00 25.71 C +ATOM 743 C SER A 145 17.489 2.670 68.686 1.00 26.29 C +ATOM 744 O SER A 145 17.266 3.740 68.095 1.00 26.17 O +ATOM 745 CB SER A 145 16.732 0.510 67.644 1.00 25.54 C +ATOM 746 OG SER A 145 15.695 1.236 67.008 1.00 29.10 O +ATOM 747 N PHE A 146 17.340 2.526 70.002 1.00 25.31 N +ATOM 748 CA PHE A 146 16.957 3.640 70.870 1.00 26.41 C +ATOM 749 C PHE A 146 17.994 4.765 70.733 1.00 26.46 C +ATOM 750 O PHE A 146 17.640 5.937 70.573 1.00 25.12 O +ATOM 751 CB PHE A 146 16.893 3.169 72.334 1.00 27.87 C +ATOM 752 CG PHE A 146 16.673 4.285 73.331 1.00 29.30 C +ATOM 753 CD1 PHE A 146 15.484 5.006 73.342 1.00 32.58 C +ATOM 754 CD2 PHE A 146 17.656 4.608 74.261 1.00 31.85 C +ATOM 755 CE1 PHE A 146 15.275 6.033 74.268 1.00 32.84 C +ATOM 756 CE2 PHE A 146 17.455 5.637 75.193 1.00 32.78 C +ATOM 757 CZ PHE A 146 16.259 6.348 75.191 1.00 31.69 C +ATOM 758 N GLY A 147 19.277 4.411 70.792 1.00 24.82 N +ATOM 759 CA GLY A 147 20.321 5.424 70.648 1.00 26.46 C +ATOM 760 C GLY A 147 20.237 6.124 69.301 1.00 26.33 C +ATOM 761 O GLY A 147 20.444 7.343 69.191 1.00 26.37 O +ATOM 762 N GLY A 148 19.966 5.350 68.256 1.00 26.38 N +ATOM 763 CA GLY A 148 19.810 5.932 66.934 1.00 26.75 C +ATOM 764 C GLY A 148 18.657 6.927 66.959 1.00 27.59 C +ATOM 765 O GLY A 148 18.766 8.048 66.447 1.00 29.67 O +ATOM 766 N ALA A 149 17.550 6.537 67.578 1.00 27.98 N +ATOM 767 CA ALA A 149 16.384 7.418 67.674 1.00 27.20 C +ATOM 768 C ALA A 149 16.725 8.704 68.430 1.00 28.22 C +ATOM 769 O ALA A 149 16.272 9.806 68.065 1.00 27.02 O +ATOM 770 CB ALA A 149 15.229 6.691 68.369 1.00 27.61 C +ATOM 771 N LEU A 150 17.511 8.575 69.494 1.00 27.26 N +ATOM 772 CA LEU A 150 17.900 9.750 70.269 1.00 29.73 C +ATOM 773 C LEU A 150 18.757 10.687 69.420 1.00 27.75 C +ATOM 774 O LEU A 150 18.643 11.899 69.524 1.00 30.76 O +ATOM 775 CB LEU A 150 18.688 9.358 71.520 1.00 30.72 C +ATOM 776 CG LEU A 150 17.983 8.837 72.770 1.00 36.73 C +ATOM 777 CD1 LEU A 150 18.992 8.878 73.928 1.00 36.40 C +ATOM 778 CD2 LEU A 150 16.787 9.725 73.121 1.00 37.73 C +ATOM 779 N CYS A 151 19.636 10.126 68.601 1.00 27.01 N +ATOM 780 CA CYS A 151 20.479 10.959 67.741 1.00 27.37 C +ATOM 781 C CYS A 151 19.641 11.687 66.691 1.00 28.62 C +ATOM 782 O CYS A 151 19.833 12.874 66.451 1.00 28.31 O +ATOM 783 CB CYS A 151 21.548 10.114 67.049 1.00 27.23 C +ATOM 784 SG CYS A 151 22.864 9.568 68.168 1.00 31.69 S +ATOM 785 N VAL A 152 18.710 10.977 66.062 1.00 27.88 N +ATOM 786 CA VAL A 152 17.861 11.607 65.054 1.00 27.55 C +ATOM 787 C VAL A 152 17.085 12.760 65.684 1.00 29.15 C +ATOM 788 O VAL A 152 16.999 13.858 65.124 1.00 28.73 O +ATOM 789 CB VAL A 152 16.888 10.578 64.452 1.00 29.01 C +ATOM 790 CG1 VAL A 152 15.747 11.290 63.701 1.00 28.44 C +ATOM 791 CG2 VAL A 152 17.665 9.637 63.529 1.00 27.40 C +ATOM 792 N GLU A 153 16.537 12.506 66.865 1.00 29.34 N +ATOM 793 CA GLU A 153 15.776 13.502 67.589 1.00 29.77 C +ATOM 794 C GLU A 153 16.659 14.720 67.898 1.00 29.45 C +ATOM 795 O GLU A 153 16.234 15.878 67.754 1.00 27.68 O +ATOM 796 CB GLU A 153 15.250 12.873 68.881 1.00 33.69 C +ATOM 797 CG GLU A 153 14.148 13.648 69.550 1.00 38.78 C +ATOM 798 CD GLU A 153 13.503 12.878 70.700 1.00 42.00 C +ATOM 799 OE1 GLU A 153 12.798 11.876 70.457 1.00 43.22 O +ATOM 800 OE2 GLU A 153 13.709 13.289 71.854 1.00 47.03 O +ATOM 801 N SER A 154 17.886 14.454 68.323 1.00 27.83 N +ATOM 802 CA SER A 154 18.819 15.526 68.643 1.00 29.26 C +ATOM 803 C SER A 154 19.115 16.390 67.418 1.00 27.49 C +ATOM 804 O SER A 154 19.187 17.606 67.525 1.00 29.11 O +ATOM 805 CB SER A 154 20.121 14.941 69.203 1.00 29.98 C +ATOM 806 OG SER A 154 19.870 14.308 70.450 1.00 32.55 O +ATOM 807 N VAL A 155 19.294 15.769 66.260 1.00 27.28 N +ATOM 808 CA VAL A 155 19.567 16.528 65.041 1.00 30.04 C +ATOM 809 C VAL A 155 18.328 17.349 64.653 1.00 30.86 C +ATOM 810 O VAL A 155 18.440 18.522 64.274 1.00 30.40 O +ATOM 811 CB VAL A 155 19.970 15.596 63.890 1.00 30.81 C +ATOM 812 CG1 VAL A 155 20.113 16.394 62.587 1.00 32.84 C +ATOM 813 CG2 VAL A 155 21.298 14.912 64.235 1.00 31.64 C +ATOM 814 N ASP A 156 17.146 16.749 64.784 1.00 29.63 N +ATOM 815 CA ASP A 156 15.895 17.449 64.461 1.00 30.14 C +ATOM 816 C ASP A 156 15.662 18.674 65.347 1.00 30.84 C +ATOM 817 O ASP A 156 14.948 19.607 64.960 1.00 28.24 O +ATOM 818 CB ASP A 156 14.691 16.515 64.611 1.00 31.06 C +ATOM 819 CG ASP A 156 14.580 15.530 63.478 1.00 35.20 C +ATOM 820 OD1 ASP A 156 15.176 15.782 62.410 1.00 33.86 O +ATOM 821 OD2 ASP A 156 13.880 14.512 63.654 1.00 38.24 O +ATOM 822 N LYS A 157 16.253 18.663 66.538 1.00 29.19 N +ATOM 823 CA LYS A 157 16.104 19.774 67.462 1.00 30.43 C +ATOM 824 C LYS A 157 17.288 20.725 67.350 1.00 29.52 C +ATOM 825 O LYS A 157 17.451 21.618 68.175 1.00 30.95 O +ATOM 826 CB LYS A 157 15.991 19.251 68.896 1.00 31.18 C +ATOM 827 CG LYS A 157 14.793 18.357 69.093 1.00 35.62 C +ATOM 828 CD LYS A 157 14.349 18.301 70.535 1.00 40.64 C +ATOM 829 CE LYS A 157 15.317 17.553 71.397 1.00 44.90 C +ATOM 830 NZ LYS A 157 14.799 17.459 72.801 1.00 50.62 N +ATOM 831 N GLU A 158 18.114 20.533 66.330 1.00 30.99 N +ATOM 832 CA GLU A 158 19.300 21.375 66.157 1.00 33.18 C +ATOM 833 C GLU A 158 20.225 21.258 67.371 1.00 33.96 C +ATOM 834 O GLU A 158 20.758 22.254 67.877 1.00 31.85 O +ATOM 835 CB GLU A 158 18.904 22.843 65.961 1.00 34.38 C +ATOM 836 CG GLU A 158 18.359 23.145 64.588 1.00 36.74 C +ATOM 837 CD GLU A 158 19.359 22.841 63.494 1.00 39.04 C +ATOM 838 OE1 GLU A 158 20.528 23.248 63.636 1.00 43.57 O +ATOM 839 OE2 GLU A 158 18.981 22.202 62.489 1.00 39.50 O +ATOM 840 N MET A 159 20.395 20.031 67.844 1.00 32.90 N +ATOM 841 CA MET A 159 21.270 19.765 68.970 1.00 35.38 C +ATOM 842 C MET A 159 22.243 18.675 68.540 1.00 35.48 C +ATOM 843 O MET A 159 22.505 17.723 69.283 1.00 33.20 O +ATOM 844 CB MET A 159 20.465 19.286 70.164 1.00 37.11 C +ATOM 845 CG MET A 159 19.376 20.234 70.611 1.00 41.07 C +ATOM 846 SD MET A 159 18.646 19.562 72.087 1.00 44.72 S +ATOM 847 CE MET A 159 17.654 21.001 72.671 1.00 46.48 C +ATOM 848 N GLN A 160 22.771 18.818 67.329 1.00 37.97 N +ATOM 849 CA GLN A 160 23.707 17.846 66.784 1.00 41.42 C +ATOM 850 C GLN A 160 24.921 17.659 67.688 1.00 42.72 C +ATOM 851 O GLN A 160 25.636 16.664 67.573 1.00 42.75 O +ATOM 852 CB GLN A 160 24.142 18.253 65.372 1.00 44.65 C +ATOM 853 CG GLN A 160 24.322 19.745 65.167 1.00 49.64 C +ATOM 854 CD GLN A 160 23.000 20.518 65.192 1.00 50.95 C +ATOM 855 OE1 GLN A 160 22.727 21.274 66.125 1.00 50.64 O +ATOM 856 NE2 GLN A 160 22.180 20.326 64.164 1.00 53.01 N +ATOM 857 N VAL A 161 25.133 18.603 68.600 1.00 42.62 N +ATOM 858 CA VAL A 161 26.253 18.521 69.527 1.00 45.68 C +ATOM 859 C VAL A 161 26.107 17.293 70.433 1.00 45.39 C +ATOM 860 O VAL A 161 27.097 16.754 70.938 1.00 45.27 O +ATOM 861 CB VAL A 161 26.345 19.796 70.410 1.00 46.96 C +ATOM 862 CG1 VAL A 161 25.111 19.929 71.285 1.00 47.92 C +ATOM 863 CG2 VAL A 161 27.598 19.748 71.268 1.00 48.59 C +ATOM 864 N LEU A 162 24.872 16.842 70.623 1.00 42.18 N +ATOM 865 CA LEU A 162 24.607 15.692 71.478 1.00 40.06 C +ATOM 866 C LEU A 162 24.923 14.324 70.866 1.00 39.55 C +ATOM 867 O LEU A 162 25.066 13.343 71.588 1.00 39.28 O +ATOM 868 CB LEU A 162 23.145 15.713 71.924 1.00 40.70 C +ATOM 869 CG LEU A 162 22.699 16.893 72.790 1.00 42.66 C +ATOM 870 CD1 LEU A 162 21.202 16.790 73.081 1.00 42.40 C +ATOM 871 CD2 LEU A 162 23.497 16.896 74.084 1.00 43.92 C +ATOM 872 N VAL A 163 25.049 14.247 69.547 1.00 38.87 N +ATOM 873 CA VAL A 163 25.307 12.964 68.899 1.00 37.78 C +ATOM 874 C VAL A 163 26.557 12.238 69.409 1.00 40.10 C +ATOM 875 O VAL A 163 26.487 11.052 69.753 1.00 35.29 O +ATOM 876 CB VAL A 163 25.360 13.126 67.369 1.00 37.27 C +ATOM 877 CG1 VAL A 163 25.903 11.876 66.727 1.00 38.23 C +ATOM 878 CG2 VAL A 163 23.949 13.407 66.837 1.00 37.66 C +ATOM 879 N SER A 164 27.693 12.932 69.465 1.00 37.17 N +ATOM 880 CA SER A 164 28.911 12.292 69.959 1.00 37.37 C +ATOM 881 C SER A 164 28.754 11.956 71.446 1.00 36.44 C +ATOM 882 O SER A 164 29.345 11.001 71.940 1.00 33.84 O +ATOM 883 CB SER A 164 30.125 13.210 69.759 1.00 37.32 C +ATOM 884 OG SER A 164 29.948 14.421 70.466 1.00 42.97 O +ATOM 885 N ARG A 165 27.953 12.741 72.157 1.00 35.30 N +ATOM 886 CA ARG A 165 27.743 12.490 73.575 1.00 35.50 C +ATOM 887 C ARG A 165 26.945 11.201 73.790 1.00 35.73 C +ATOM 888 O ARG A 165 27.263 10.389 74.672 1.00 31.90 O +ATOM 889 CB ARG A 165 27.007 13.658 74.213 1.00 38.23 C +ATOM 890 CG ARG A 165 26.861 13.520 75.706 1.00 42.14 C +ATOM 891 CD ARG A 165 26.418 14.829 76.322 1.00 47.07 C +ATOM 892 NE ARG A 165 27.323 15.915 75.958 1.00 48.72 N +ATOM 893 CZ ARG A 165 27.088 17.197 76.213 1.00 50.56 C +ATOM 894 NH1 ARG A 165 25.973 17.556 76.837 1.00 50.33 N +ATOM 895 NH2 ARG A 165 27.964 18.119 75.836 1.00 51.49 N +ATOM 896 N ILE A 166 25.900 11.034 72.985 1.00 33.54 N +ATOM 897 CA ILE A 166 25.047 9.847 73.042 1.00 31.43 C +ATOM 898 C ILE A 166 25.905 8.622 72.705 1.00 30.27 C +ATOM 899 O ILE A 166 25.769 7.567 73.315 1.00 31.00 O +ATOM 900 CB ILE A 166 23.888 9.969 72.014 1.00 29.37 C +ATOM 901 CG1 ILE A 166 22.945 11.106 72.437 1.00 28.04 C +ATOM 902 CG2 ILE A 166 23.144 8.647 71.889 1.00 26.91 C +ATOM 903 CD1 ILE A 166 21.909 11.466 71.375 1.00 28.26 C +ATOM 904 N ALA A 167 26.786 8.772 71.727 1.00 30.07 N +ATOM 905 CA ALA A 167 27.670 7.687 71.338 1.00 31.15 C +ATOM 906 C ALA A 167 28.539 7.265 72.532 1.00 31.83 C +ATOM 907 O ALA A 167 28.726 6.077 72.771 1.00 30.04 O +ATOM 908 CB ALA A 167 28.550 8.120 70.175 1.00 30.61 C +ATOM 909 N ALA A 168 29.054 8.242 73.279 1.00 30.64 N +ATOM 910 CA ALA A 168 29.901 7.956 74.438 1.00 32.17 C +ATOM 911 C ALA A 168 29.094 7.276 75.535 1.00 31.45 C +ATOM 912 O ALA A 168 29.546 6.297 76.151 1.00 29.57 O +ATOM 913 CB ALA A 168 30.528 9.249 74.963 1.00 31.66 C +ATOM 914 N TRP A 169 27.892 7.789 75.767 1.00 30.31 N +ATOM 915 CA TRP A 169 27.006 7.226 76.774 1.00 30.00 C +ATOM 916 C TRP A 169 26.673 5.774 76.445 1.00 28.75 C +ATOM 917 O TRP A 169 26.667 4.922 77.326 1.00 26.41 O +ATOM 918 CB TRP A 169 25.715 8.029 76.843 1.00 33.63 C +ATOM 919 CG TRP A 169 25.869 9.380 77.457 1.00 35.36 C +ATOM 920 CD1 TRP A 169 26.968 9.873 78.105 1.00 35.54 C +ATOM 921 CD2 TRP A 169 24.852 10.379 77.571 1.00 35.88 C +ATOM 922 NE1 TRP A 169 26.691 11.116 78.624 1.00 36.88 N +ATOM 923 CE2 TRP A 169 25.398 11.448 78.312 1.00 37.12 C +ATOM 924 CE3 TRP A 169 23.529 10.471 77.121 1.00 37.46 C +ATOM 925 CZ2 TRP A 169 24.665 12.599 78.617 1.00 39.51 C +ATOM 926 CZ3 TRP A 169 22.798 11.618 77.422 1.00 39.07 C +ATOM 927 CH2 TRP A 169 23.371 12.665 78.166 1.00 40.03 C +ATOM 928 N MET A 170 26.388 5.505 75.176 1.00 25.98 N +ATOM 929 CA MET A 170 26.064 4.148 74.764 1.00 26.60 C +ATOM 930 C MET A 170 27.247 3.203 74.980 1.00 26.61 C +ATOM 931 O MET A 170 27.062 2.091 75.463 1.00 26.85 O +ATOM 932 CB MET A 170 25.630 4.122 73.290 1.00 26.22 C +ATOM 933 CG MET A 170 24.218 4.708 73.058 1.00 27.15 C +ATOM 934 SD MET A 170 23.848 4.802 71.313 1.00 27.00 S +ATOM 935 CE MET A 170 23.501 3.063 70.944 1.00 24.05 C +ATOM 936 N ALA A 171 28.455 3.638 74.629 1.00 26.77 N +ATOM 937 CA ALA A 171 29.628 2.783 74.797 1.00 29.34 C +ATOM 938 C ALA A 171 29.828 2.461 76.273 1.00 30.40 C +ATOM 939 O ALA A 171 30.159 1.334 76.637 1.00 30.14 O +ATOM 940 CB ALA A 171 30.875 3.468 74.233 1.00 28.80 C +ATOM 941 N THR A 172 29.619 3.465 77.117 1.00 31.40 N +ATOM 942 CA THR A 172 29.765 3.305 78.554 1.00 30.80 C +ATOM 943 C THR A 172 28.755 2.304 79.086 1.00 30.99 C +ATOM 944 O THR A 172 29.104 1.388 79.845 1.00 27.82 O +ATOM 945 CB THR A 172 29.568 4.660 79.272 1.00 32.81 C +ATOM 946 OG1 THR A 172 30.645 5.528 78.911 1.00 29.24 O +ATOM 947 CG2 THR A 172 29.523 4.485 80.797 1.00 32.62 C +ATOM 948 N TYR A 173 27.498 2.489 78.683 1.00 28.73 N +ATOM 949 CA TYR A 173 26.416 1.615 79.107 1.00 29.23 C +ATOM 950 C TYR A 173 26.626 0.181 78.612 1.00 29.24 C +ATOM 951 O TYR A 173 26.384 -0.788 79.341 1.00 28.69 O +ATOM 952 CB TYR A 173 25.078 2.161 78.579 1.00 26.05 C +ATOM 953 CG TYR A 173 23.874 1.512 79.203 1.00 28.99 C +ATOM 954 CD1 TYR A 173 23.443 0.242 78.792 1.00 26.41 C +ATOM 955 CD2 TYR A 173 23.176 2.146 80.237 1.00 27.30 C +ATOM 956 CE1 TYR A 173 22.357 -0.376 79.390 1.00 28.25 C +ATOM 957 CE2 TYR A 173 22.086 1.540 80.835 1.00 29.59 C +ATOM 958 CZ TYR A 173 21.681 0.277 80.407 1.00 29.91 C +ATOM 959 OH TYR A 173 20.591 -0.320 80.986 1.00 30.37 O +ATOM 960 N LEU A 174 27.062 0.053 77.364 1.00 29.64 N +ATOM 961 CA LEU A 174 27.314 -1.257 76.753 1.00 31.89 C +ATOM 962 C LEU A 174 28.394 -2.010 77.551 1.00 31.75 C +ATOM 963 O LEU A 174 28.217 -3.161 77.945 1.00 31.18 O +ATOM 964 CB LEU A 174 27.818 -1.067 75.320 1.00 32.15 C +ATOM 965 CG LEU A 174 27.457 -2.036 74.188 1.00 37.25 C +ATOM 966 CD1 LEU A 174 28.360 -1.736 72.992 1.00 35.80 C +ATOM 967 CD2 LEU A 174 27.598 -3.469 74.614 1.00 33.89 C +ATOM 968 N ASN A 175 29.518 -1.343 77.768 1.00 32.53 N +ATOM 969 CA ASN A 175 30.638 -1.939 78.491 1.00 35.32 C +ATOM 970 C ASN A 175 30.310 -2.280 79.932 1.00 36.00 C +ATOM 971 O ASN A 175 30.735 -3.314 80.446 1.00 36.62 O +ATOM 972 CB ASN A 175 31.848 -1.004 78.453 1.00 37.14 C +ATOM 973 CG ASN A 175 32.476 -0.934 77.078 1.00 40.87 C +ATOM 974 OD1 ASN A 175 32.470 -1.919 76.334 1.00 42.03 O +ATOM 975 ND2 ASN A 175 33.035 0.220 76.734 1.00 43.35 N +ATOM 976 N ASP A 176 29.525 -1.425 80.572 1.00 34.74 N +ATOM 977 CA ASP A 176 29.172 -1.626 81.962 1.00 35.26 C +ATOM 978 C ASP A 176 28.058 -2.634 82.224 1.00 35.40 C +ATOM 979 O ASP A 176 28.252 -3.601 82.971 1.00 35.49 O +ATOM 980 CB ASP A 176 28.830 -0.264 82.597 1.00 39.10 C +ATOM 981 CG ASP A 176 28.405 -0.381 84.051 1.00 43.53 C +ATOM 982 OD1 ASP A 176 28.884 -1.306 84.736 1.00 45.71 O +ATOM 983 OD2 ASP A 176 27.601 0.459 84.515 1.00 43.00 O +ATOM 984 N HIS A 177 26.908 -2.434 81.591 1.00 30.68 N +ATOM 985 CA HIS A 177 25.753 -3.283 81.806 1.00 31.07 C +ATOM 986 C HIS A 177 25.469 -4.419 80.841 1.00 30.18 C +ATOM 987 O HIS A 177 24.862 -5.410 81.235 1.00 29.71 O +ATOM 988 CB HIS A 177 24.497 -2.416 81.864 1.00 31.42 C +ATOM 989 CG HIS A 177 24.465 -1.482 83.029 1.00 32.32 C +ATOM 990 ND1 HIS A 177 24.346 -0.116 82.884 1.00 35.85 N +ATOM 991 CD2 HIS A 177 24.496 -1.719 84.360 1.00 30.40 C +ATOM 992 CE1 HIS A 177 24.302 0.447 84.078 1.00 30.27 C +ATOM 993 NE2 HIS A 177 24.391 -0.501 84.991 1.00 33.73 N +ATOM 994 N LEU A 178 25.884 -4.283 79.588 1.00 29.58 N +ATOM 995 CA LEU A 178 25.576 -5.317 78.600 1.00 29.19 C +ATOM 996 C LEU A 178 26.675 -6.339 78.282 1.00 29.13 C +ATOM 997 O LEU A 178 26.365 -7.510 78.060 1.00 29.86 O +ATOM 998 CB LEU A 178 25.066 -4.631 77.321 1.00 29.53 C +ATOM 999 CG LEU A 178 23.935 -3.610 77.577 1.00 26.12 C +ATOM 1000 CD1 LEU A 178 23.429 -3.011 76.251 1.00 25.64 C +ATOM 1001 CD2 LEU A 178 22.777 -4.306 78.307 1.00 25.59 C +ATOM 1002 N GLU A 179 27.942 -5.928 78.276 1.00 29.47 N +ATOM 1003 CA GLU A 179 29.026 -6.872 77.986 1.00 33.65 C +ATOM 1004 C GLU A 179 29.029 -8.090 78.919 1.00 33.70 C +ATOM 1005 O GLU A 179 29.354 -9.196 78.494 1.00 34.22 O +ATOM 1006 CB GLU A 179 30.395 -6.191 78.071 1.00 34.80 C +ATOM 1007 CG GLU A 179 30.867 -5.483 76.792 1.00 40.39 C +ATOM 1008 CD GLU A 179 31.035 -6.414 75.591 1.00 40.83 C +ATOM 1009 OE1 GLU A 179 31.429 -7.586 75.773 1.00 44.66 O +ATOM 1010 OE2 GLU A 179 30.791 -5.965 74.453 1.00 42.54 O +ATOM 1011 N PRO A 180 28.694 -7.899 80.212 1.00 34.75 N +ATOM 1012 CA PRO A 180 28.685 -9.049 81.125 1.00 34.20 C +ATOM 1013 C PRO A 180 27.790 -10.179 80.606 1.00 34.51 C +ATOM 1014 O PRO A 180 28.201 -11.348 80.568 1.00 34.91 O +ATOM 1015 CB PRO A 180 28.172 -8.448 82.436 1.00 34.28 C +ATOM 1016 CG PRO A 180 28.722 -7.049 82.393 1.00 33.23 C +ATOM 1017 CD PRO A 180 28.479 -6.638 80.947 1.00 34.60 C +ATOM 1018 N TRP A 181 26.571 -9.834 80.204 1.00 32.92 N +ATOM 1019 CA TRP A 181 25.637 -10.823 79.670 1.00 32.74 C +ATOM 1020 C TRP A 181 26.125 -11.343 78.312 1.00 34.13 C +ATOM 1021 O TRP A 181 26.087 -12.549 78.035 1.00 33.00 O +ATOM 1022 CB TRP A 181 24.248 -10.211 79.486 1.00 31.77 C +ATOM 1023 CG TRP A 181 23.217 -11.216 79.049 1.00 32.03 C +ATOM 1024 CD1 TRP A 181 22.462 -12.011 79.853 1.00 31.25 C +ATOM 1025 CD2 TRP A 181 22.873 -11.570 77.696 1.00 31.35 C +ATOM 1026 NE1 TRP A 181 21.669 -12.843 79.093 1.00 30.24 N +ATOM 1027 CE2 TRP A 181 21.904 -12.591 77.765 1.00 31.56 C +ATOM 1028 CE3 TRP A 181 23.297 -11.121 76.435 1.00 30.90 C +ATOM 1029 CZ2 TRP A 181 21.343 -13.180 76.618 1.00 28.96 C +ATOM 1030 CZ3 TRP A 181 22.740 -11.704 75.295 1.00 30.55 C +ATOM 1031 CH2 TRP A 181 21.775 -12.721 75.397 1.00 30.95 C +ATOM 1032 N ILE A 182 26.565 -10.426 77.461 1.00 33.33 N +ATOM 1033 CA ILE A 182 27.045 -10.785 76.132 1.00 34.61 C +ATOM 1034 C ILE A 182 28.161 -11.830 76.213 1.00 36.38 C +ATOM 1035 O ILE A 182 28.100 -12.886 75.572 1.00 36.13 O +ATOM 1036 CB ILE A 182 27.557 -9.524 75.397 1.00 34.19 C +ATOM 1037 CG1 ILE A 182 26.364 -8.611 75.069 1.00 32.82 C +ATOM 1038 CG2 ILE A 182 28.301 -9.898 74.116 1.00 34.46 C +ATOM 1039 CD1 ILE A 182 26.790 -7.241 74.519 1.00 34.56 C +ATOM 1040 N GLN A 183 29.174 -11.526 77.010 1.00 36.90 N +ATOM 1041 CA GLN A 183 30.310 -12.417 77.181 1.00 39.30 C +ATOM 1042 C GLN A 183 29.931 -13.755 77.803 1.00 40.17 C +ATOM 1043 O GLN A 183 30.594 -14.764 77.572 1.00 41.14 O +ATOM 1044 CB GLN A 183 31.385 -11.726 78.025 1.00 40.80 C +ATOM 1045 CG GLN A 183 32.103 -10.604 77.294 1.00 42.94 C +ATOM 1046 CD GLN A 183 32.551 -11.030 75.907 1.00 46.81 C +ATOM 1047 OE1 GLN A 183 33.125 -12.108 75.734 1.00 46.75 O +ATOM 1048 NE2 GLN A 183 32.293 -10.186 74.911 1.00 45.96 N +ATOM 1049 N GLU A 184 28.862 -13.761 78.590 1.00 39.03 N +ATOM 1050 CA GLU A 184 28.392 -14.971 79.238 1.00 39.26 C +ATOM 1051 C GLU A 184 27.571 -15.813 78.272 1.00 40.37 C +ATOM 1052 O GLU A 184 27.368 -17.010 78.498 1.00 38.48 O +ATOM 1053 CB GLU A 184 27.537 -14.608 80.450 1.00 39.86 C +ATOM 1054 CG GLU A 184 26.956 -15.785 81.216 1.00 44.33 C +ATOM 1055 CD GLU A 184 28.032 -16.684 81.824 1.00 47.44 C +ATOM 1056 OE1 GLU A 184 29.106 -16.169 82.203 1.00 47.06 O +ATOM 1057 OE2 GLU A 184 27.792 -17.904 81.929 1.00 49.86 O +ATOM 1058 N ASN A 185 27.111 -15.200 77.183 1.00 38.79 N +ATOM 1059 CA ASN A 185 26.288 -15.926 76.230 1.00 38.96 C +ATOM 1060 C ASN A 185 26.861 -16.114 74.832 1.00 39.72 C +ATOM 1061 O ASN A 185 26.119 -16.132 73.852 1.00 39.13 O +ATOM 1062 CB ASN A 185 24.903 -15.277 76.140 1.00 38.88 C +ATOM 1063 CG ASN A 185 24.115 -15.432 77.416 1.00 37.66 C +ATOM 1064 OD1 ASN A 185 24.313 -14.691 78.386 1.00 42.05 O +ATOM 1065 ND2 ASN A 185 23.226 -16.408 77.437 1.00 37.34 N +ATOM 1066 N GLY A 186 28.177 -16.258 74.744 1.00 39.42 N +ATOM 1067 CA GLY A 186 28.799 -16.479 73.452 1.00 42.22 C +ATOM 1068 C GLY A 186 29.617 -15.334 72.892 1.00 42.35 C +ATOM 1069 O GLY A 186 30.439 -15.543 72.000 1.00 44.49 O +ATOM 1070 N GLY A 187 29.401 -14.124 73.400 1.00 41.25 N +ATOM 1071 CA GLY A 187 30.136 -12.987 72.882 1.00 38.57 C +ATOM 1072 C GLY A 187 29.526 -12.566 71.558 1.00 37.74 C +ATOM 1073 O GLY A 187 28.529 -13.140 71.124 1.00 37.47 O +ATOM 1074 N TRP A 188 30.110 -11.565 70.910 1.00 37.26 N +ATOM 1075 CA TRP A 188 29.577 -11.098 69.635 1.00 37.95 C +ATOM 1076 C TRP A 188 29.584 -12.162 68.543 1.00 40.10 C +ATOM 1077 O TRP A 188 28.880 -12.024 67.544 1.00 38.91 O +ATOM 1078 CB TRP A 188 30.338 -9.864 69.176 1.00 37.71 C +ATOM 1079 CG TRP A 188 30.036 -8.700 70.063 1.00 39.48 C +ATOM 1080 CD1 TRP A 188 30.804 -8.219 71.088 1.00 38.72 C +ATOM 1081 CD2 TRP A 188 28.843 -7.910 70.046 1.00 39.25 C +ATOM 1082 NE1 TRP A 188 30.157 -7.169 71.710 1.00 40.50 N +ATOM 1083 CE2 TRP A 188 28.953 -6.959 71.090 1.00 38.93 C +ATOM 1084 CE3 TRP A 188 27.687 -7.913 69.251 1.00 38.39 C +ATOM 1085 CZ2 TRP A 188 27.953 -6.020 71.357 1.00 38.26 C +ATOM 1086 CZ3 TRP A 188 26.691 -6.982 69.518 1.00 39.10 C +ATOM 1087 CH2 TRP A 188 26.833 -6.044 70.567 1.00 37.06 C +ATOM 1088 N ASP A 189 30.375 -13.218 68.734 1.00 41.14 N +ATOM 1089 CA ASP A 189 30.416 -14.303 67.762 1.00 42.84 C +ATOM 1090 C ASP A 189 29.029 -14.942 67.694 1.00 40.86 C +ATOM 1091 O ASP A 189 28.529 -15.238 66.611 1.00 40.68 O +ATOM 1092 CB ASP A 189 31.470 -15.360 68.145 1.00 47.21 C +ATOM 1093 CG ASP A 189 32.900 -14.898 67.861 1.00 52.20 C +ATOM 1094 OD1 ASP A 189 33.092 -14.088 66.933 1.00 53.72 O +ATOM 1095 OD2 ASP A 189 33.840 -15.355 68.552 1.00 56.29 O +ATOM 1096 N THR A 190 28.402 -15.144 68.850 1.00 39.41 N +ATOM 1097 CA THR A 190 27.065 -15.727 68.886 1.00 38.55 C +ATOM 1098 C THR A 190 26.042 -14.768 68.277 1.00 37.62 C +ATOM 1099 O THR A 190 25.066 -15.203 67.650 1.00 35.65 O +ATOM 1100 CB THR A 190 26.636 -16.080 70.331 1.00 40.44 C +ATOM 1101 OG1 THR A 190 27.479 -17.119 70.834 1.00 43.21 O +ATOM 1102 CG2 THR A 190 25.192 -16.562 70.365 1.00 40.03 C +ATOM 1103 N PHE A 191 26.254 -13.465 68.471 1.00 37.15 N +ATOM 1104 CA PHE A 191 25.351 -12.477 67.896 1.00 35.15 C +ATOM 1105 C PHE A 191 25.375 -12.639 66.370 1.00 34.97 C +ATOM 1106 O PHE A 191 24.329 -12.757 65.726 1.00 33.80 O +ATOM 1107 CB PHE A 191 25.789 -11.057 68.269 1.00 34.86 C +ATOM 1108 CG PHE A 191 24.947 -9.978 67.628 1.00 36.65 C +ATOM 1109 CD1 PHE A 191 23.635 -9.760 68.042 1.00 37.62 C +ATOM 1110 CD2 PHE A 191 25.459 -9.197 66.597 1.00 37.36 C +ATOM 1111 CE1 PHE A 191 22.839 -8.772 67.438 1.00 39.03 C +ATOM 1112 CE2 PHE A 191 24.674 -8.209 65.985 1.00 38.24 C +ATOM 1113 CZ PHE A 191 23.358 -7.999 66.412 1.00 37.28 C +ATOM 1114 N VAL A 192 26.573 -12.646 65.789 1.00 37.27 N +ATOM 1115 CA VAL A 192 26.703 -12.796 64.339 1.00 39.29 C +ATOM 1116 C VAL A 192 26.067 -14.111 63.886 1.00 40.27 C +ATOM 1117 O VAL A 192 25.297 -14.149 62.928 1.00 41.13 O +ATOM 1118 CB VAL A 192 28.186 -12.771 63.901 1.00 40.68 C +ATOM 1119 CG1 VAL A 192 28.294 -12.980 62.385 1.00 40.62 C +ATOM 1120 CG2 VAL A 192 28.817 -11.450 64.300 1.00 40.30 C +ATOM 1121 N GLU A 193 26.380 -15.187 64.594 1.00 43.22 N +ATOM 1122 CA GLU A 193 25.841 -16.505 64.275 1.00 45.54 C +ATOM 1123 C GLU A 193 24.316 -16.504 64.297 1.00 45.86 C +ATOM 1124 O GLU A 193 23.668 -17.210 63.527 1.00 46.40 O +ATOM 1125 CB GLU A 193 26.392 -17.517 65.285 1.00 49.53 C +ATOM 1126 CG GLU A 193 25.714 -18.870 65.322 1.00 55.09 C +ATOM 1127 CD GLU A 193 26.325 -19.768 66.393 1.00 59.41 C +ATOM 1128 OE1 GLU A 193 27.529 -20.091 66.283 1.00 62.35 O +ATOM 1129 OE2 GLU A 193 25.611 -20.142 67.350 1.00 61.55 O +ATOM 1130 N LEU A 194 23.752 -15.682 65.173 1.00 46.09 N +ATOM 1131 CA LEU A 194 22.309 -15.588 65.342 1.00 44.71 C +ATOM 1132 C LEU A 194 21.625 -14.580 64.403 1.00 44.01 C +ATOM 1133 O LEU A 194 20.493 -14.799 63.969 1.00 42.52 O +ATOM 1134 CB LEU A 194 22.013 -15.220 66.801 1.00 47.69 C +ATOM 1135 CG LEU A 194 20.755 -15.790 67.450 1.00 48.32 C +ATOM 1136 CD1 LEU A 194 20.902 -17.293 67.571 1.00 47.58 C +ATOM 1137 CD2 LEU A 194 20.558 -15.162 68.833 1.00 48.64 C +ATOM 1138 N TYR A 195 22.308 -13.483 64.092 1.00 43.13 N +ATOM 1139 CA TYR A 195 21.743 -12.448 63.222 1.00 44.16 C +ATOM 1140 C TYR A 195 22.475 -12.215 61.897 1.00 46.66 C +ATOM 1141 O TYR A 195 21.943 -11.548 61.011 1.00 49.07 O +ATOM 1142 CB TYR A 195 21.715 -11.103 63.933 1.00 39.75 C +ATOM 1143 CG TYR A 195 20.727 -10.966 65.057 1.00 36.56 C +ATOM 1144 CD1 TYR A 195 21.004 -11.476 66.323 1.00 36.68 C +ATOM 1145 CD2 TYR A 195 19.556 -10.233 64.881 1.00 32.05 C +ATOM 1146 CE1 TYR A 195 20.136 -11.233 67.400 1.00 34.78 C +ATOM 1147 CE2 TYR A 195 18.690 -9.992 65.940 1.00 32.88 C +ATOM 1148 CZ TYR A 195 18.991 -10.485 67.195 1.00 32.93 C +ATOM 1149 OH TYR A 195 18.177 -10.169 68.259 1.00 33.32 O +ATOM 1150 N GLY A 196 23.695 -12.727 61.772 1.00 47.62 N +ATOM 1151 CA GLY A 196 24.463 -12.507 60.557 1.00 48.87 C +ATOM 1152 C GLY A 196 23.767 -12.951 59.294 1.00 49.34 C +ATOM 1153 O GLY A 196 23.205 -14.038 59.253 1.00 50.92 O +TER 1154 GLY A 196 +END diff --git a/bench/main_benchmark/structures/SFB_OL_CALBD9K_4ICBA_1HT9A/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_CALBD9K_4ICBA_1HT9A/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e5f634d52be819c2e04bc3b5d7f8304fcddb1b7a --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_CALBD9K_4ICBA_1HT9A/state_a.pdb @@ -0,0 +1,641 @@ +ATOM 1 N MET A 0 2.087 8.287 -1.145 1.00 29.31 N +ATOM 2 CA MET A 0 1.516 9.645 -0.899 1.00 28.06 C +ATOM 3 C MET A 0 2.162 10.704 -1.788 1.00 27.19 C +ATOM 4 O MET A 0 1.619 11.752 -2.238 1.00 26.90 O +ATOM 5 CB MET A 0 1.819 9.901 0.601 1.00 31.06 C +ATOM 6 N LYS A 1 3.440 10.436 -2.034 1.00 24.33 N +ATOM 7 CA LYS A 1 4.326 11.276 -2.844 1.00 22.35 C +ATOM 8 C LYS A 1 5.166 10.393 -3.771 1.00 20.85 C +ATOM 9 O LYS A 1 5.580 9.289 -3.327 1.00 20.59 O +ATOM 10 CB LYS A 1 5.252 12.085 -1.921 1.00 22.60 C +ATOM 11 CG LYS A 1 4.400 13.116 -1.143 1.00 24.98 C +ATOM 12 CD LYS A 1 5.237 13.720 -0.049 1.00 27.59 C +ATOM 13 CE LYS A 1 4.283 14.413 0.937 1.00 29.67 C +ATOM 14 NZ LYS A 1 3.765 15.649 0.280 1.00 30.63 N +ATOM 15 N SER A 2 5.416 10.898 -4.990 1.00 17.78 N +ATOM 16 CA SER A 2 6.273 10.100 -5.912 1.00 15.94 C +ATOM 17 C SER A 2 7.770 10.248 -5.389 1.00 15.79 C +ATOM 18 O SER A 2 8.050 11.182 -4.616 1.00 14.14 O +ATOM 19 CB SER A 2 6.236 10.616 -7.337 1.00 15.33 C +ATOM 20 OG SER A 2 6.605 11.993 -7.321 1.00 17.80 O +ATOM 21 N PRO A 3 8.583 9.352 -5.840 1.00 15.14 N +ATOM 22 CA PRO A 3 10.018 9.437 -5.443 1.00 15.18 C +ATOM 23 C PRO A 3 10.568 10.811 -5.849 1.00 14.54 C +ATOM 24 O PRO A 3 11.351 11.338 -4.995 1.00 13.35 O +ATOM 25 CB PRO A 3 10.686 8.249 -6.154 1.00 15.88 C +ATOM 26 CG PRO A 3 9.524 7.318 -6.382 1.00 16.86 C +ATOM 27 CD PRO A 3 8.332 8.206 -6.752 1.00 15.54 C +ATOM 28 N GLU A 4 10.257 11.337 -7.028 1.00 13.69 N +ATOM 29 CA GLU A 4 10.754 12.673 -7.398 1.00 13.82 C +ATOM 30 C GLU A 4 10.270 13.723 -6.501 1.00 14.38 C +ATOM 31 O GLU A 4 10.948 14.700 -6.027 1.00 14.09 O +ATOM 32 CB GLU A 4 10.520 12.917 -8.893 1.00 15.36 C +ATOM 33 CG GLU A 4 11.136 14.200 -9.426 1.00 18.15 C +ATOM 34 CD GLU A 4 12.642 14.307 -9.337 1.00 19.97 C +ATOM 35 OE1 GLU A 4 13.258 13.265 -9.219 1.00 18.75 O +ATOM 36 OE2 GLU A 4 13.243 15.391 -9.189 1.00 24.54 O +ATOM 37 N GLU A 5 9.023 13.652 -6.003 1.00 13.51 N +ATOM 38 CA GLU A 5 8.464 14.621 -5.078 1.00 14.29 C +ATOM 39 C GLU A 5 9.134 14.484 -3.710 1.00 13.54 C +ATOM 40 O GLU A 5 9.420 15.499 -3.061 1.00 13.69 O +ATOM 41 CB GLU A 5 6.945 14.395 -4.996 1.00 18.95 C +ATOM 42 CG GLU A 5 6.049 15.256 -4.213 1.00 24.31 C +ATOM 43 CD GLU A 5 4.542 14.942 -4.341 1.00 26.86 C +ATOM 44 OE1 GLU A 5 4.251 13.982 -5.082 1.00 28.15 O +ATOM 45 OE2 GLU A 5 3.810 15.653 -3.688 1.00 30.28 O +ATOM 46 N LEU A 6 9.439 13.316 -3.257 1.00 12.46 N +ATOM 47 CA LEU A 6 10.115 13.103 -1.999 1.00 13.39 C +ATOM 48 C LEU A 6 11.557 13.684 -2.100 1.00 13.43 C +ATOM 49 O LEU A 6 12.065 14.238 -1.084 1.00 12.87 O +ATOM 50 CB LEU A 6 10.271 11.618 -1.693 1.00 16.16 C +ATOM 51 CG LEU A 6 10.733 11.404 -0.283 1.00 20.86 C +ATOM 52 CD1 LEU A 6 9.501 11.574 0.669 1.00 22.37 C +ATOM 53 CD2 LEU A 6 11.302 10.010 -0.196 1.00 23.45 C +ATOM 54 N LYS A 7 12.164 13.482 -3.274 1.00 11.77 N +ATOM 55 CA LYS A 7 13.550 14.058 -3.354 1.00 13.30 C +ATOM 56 C LYS A 7 13.530 15.538 -3.262 1.00 13.20 C +ATOM 57 O LYS A 7 14.493 16.184 -2.688 1.00 12.41 O +ATOM 58 CB LYS A 7 14.223 13.593 -4.642 1.00 15.32 C +ATOM 59 CG LYS A 7 15.710 14.174 -4.717 1.00 20.17 C +ATOM 60 CD LYS A 7 16.434 13.321 -5.725 1.00 24.89 C +ATOM 61 CE LYS A 7 17.930 13.628 -5.728 1.00 27.60 C +ATOM 62 NZ LYS A 7 18.564 12.236 -5.714 1.00 29.82 N +ATOM 63 N GLY A 8 12.493 16.163 -3.831 1.00 12.75 N +ATOM 64 CA GLY A 8 12.393 17.630 -3.793 1.00 14.06 C +ATOM 65 C GLY A 8 12.178 18.142 -2.374 1.00 13.90 C +ATOM 66 O GLY A 8 12.705 19.254 -1.990 1.00 14.66 O +ATOM 67 N ILE A 9 11.523 17.376 -1.523 1.00 11.84 N +ATOM 68 CA ILE A 9 11.307 17.826 -0.127 1.00 11.32 C +ATOM 69 C ILE A 9 12.701 17.673 0.555 1.00 11.91 C +ATOM 70 O ILE A 9 13.098 18.592 1.233 1.00 13.25 O +ATOM 71 CB ILE A 9 10.272 16.926 0.669 1.00 13.79 C +ATOM 72 CG1 ILE A 9 8.906 17.211 -0.025 1.00 15.82 C +ATOM 73 CG2 ILE A 9 10.324 17.160 2.151 1.00 15.48 C +ATOM 74 CD1 ILE A 9 7.748 16.203 0.258 1.00 17.60 C +ATOM 75 N PHE A 10 13.265 16.514 0.335 1.00 12.75 N +ATOM 76 CA PHE A 10 14.671 16.301 0.960 1.00 11.82 C +ATOM 77 C PHE A 10 15.563 17.473 0.568 1.00 13.04 C +ATOM 78 O PHE A 10 16.261 18.043 1.446 1.00 12.77 O +ATOM 79 CB PHE A 10 15.263 15.034 0.353 1.00 9.68 C +ATOM 80 CG PHE A 10 16.667 14.728 0.926 1.00 8.61 C +ATOM 81 CD1 PHE A 10 17.686 15.284 0.180 1.00 9.29 C +ATOM 82 CD2 PHE A 10 16.819 13.911 2.036 1.00 8.14 C +ATOM 83 CE1 PHE A 10 19.047 15.096 0.625 1.00 11.07 C +ATOM 84 CE2 PHE A 10 18.155 13.677 2.443 1.00 9.15 C +ATOM 85 CZ PHE A 10 19.164 14.199 1.703 1.00 8.85 C +ATOM 86 N GLU A 11 15.669 17.740 -0.700 1.00 12.49 N +ATOM 87 CA GLU A 11 16.517 18.837 -1.216 1.00 14.22 C +ATOM 88 C GLU A 11 16.285 20.154 -0.589 1.00 14.13 C +ATOM 89 O GLU A 11 17.236 20.902 -0.263 1.00 13.32 O +ATOM 90 CB GLU A 11 16.412 19.012 -2.758 1.00 15.57 C +ATOM 91 CG GLU A 11 17.021 17.763 -3.447 1.00 19.81 C +ATOM 92 CD GLU A 11 16.994 17.764 -4.951 1.00 23.51 C +ATOM 93 OE1 GLU A 11 16.559 18.790 -5.486 1.00 26.00 O +ATOM 94 OE2 GLU A 11 17.341 16.799 -5.555 1.00 26.86 O +ATOM 95 N LYS A 12 15.021 20.542 -0.382 1.00 12.96 N +ATOM 96 CA LYS A 12 14.693 21.852 0.252 1.00 12.76 C +ATOM 97 C LYS A 12 15.205 21.952 1.659 1.00 12.08 C +ATOM 98 O LYS A 12 15.670 23.040 2.050 1.00 10.66 O +ATOM 99 CB LYS A 12 13.223 22.189 -0.019 1.00 18.65 C +ATOM 100 CG LYS A 12 12.321 22.708 1.063 1.00 25.22 C +ATOM 101 CD LYS A 12 10.882 23.074 0.649 1.00 28.18 C +ATOM 102 CE LYS A 12 10.062 21.870 0.195 1.00 31.69 C +ATOM 103 NZ LYS A 12 9.425 22.007 -1.180 1.00 32.43 N +ATOM 104 N TYR A 13 15.176 20.834 2.431 1.00 9.65 N +ATOM 105 CA TYR A 13 15.629 20.868 3.830 1.00 9.69 C +ATOM 106 C TYR A 13 17.194 20.655 3.889 1.00 9.50 C +ATOM 107 O TYR A 13 17.807 21.186 4.795 1.00 9.32 O +ATOM 108 CB TYR A 13 14.958 19.848 4.717 1.00 11.21 C +ATOM 109 CG TYR A 13 13.485 20.313 5.009 1.00 12.33 C +ATOM 110 CD1 TYR A 13 12.588 19.985 4.008 1.00 12.74 C +ATOM 111 CD2 TYR A 13 13.224 21.090 6.100 1.00 12.40 C +ATOM 112 CE1 TYR A 13 11.247 20.394 4.219 1.00 15.60 C +ATOM 113 CE2 TYR A 13 11.916 21.540 6.292 1.00 15.36 C +ATOM 114 CZ TYR A 13 10.989 21.176 5.289 1.00 15.23 C +ATOM 115 OH TYR A 13 9.670 21.579 5.411 1.00 16.26 O +ATOM 116 N ALA A 14 17.667 19.899 2.952 1.00 8.72 N +ATOM 117 CA ALA A 14 19.171 19.596 2.991 1.00 9.52 C +ATOM 118 C ALA A 14 19.935 20.825 2.660 1.00 9.59 C +ATOM 119 O ALA A 14 21.102 21.027 3.201 1.00 9.36 O +ATOM 120 CB ALA A 14 19.493 18.456 2.050 1.00 8.43 C +ATOM 121 N ALA A 15 19.483 21.760 1.923 1.00 9.76 N +ATOM 122 CA ALA A 15 20.229 22.988 1.523 1.00 9.87 C +ATOM 123 C ALA A 15 20.209 24.055 2.602 1.00 10.22 C +ATOM 124 O ALA A 15 20.827 25.082 2.352 1.00 12.98 O +ATOM 125 CB ALA A 15 19.709 23.516 0.204 1.00 13.25 C +ATOM 126 N LYS A 16 19.592 23.921 3.749 1.00 9.83 N +ATOM 127 CA LYS A 16 19.525 24.980 4.736 1.00 11.30 C +ATOM 128 C LYS A 16 20.848 25.265 5.474 1.00 10.94 C +ATOM 129 O LYS A 16 21.090 26.461 5.824 1.00 13.30 O +ATOM 130 CB LYS A 16 18.447 24.817 5.796 1.00 11.01 C +ATOM 131 CG LYS A 16 17.056 24.707 5.104 1.00 13.87 C +ATOM 132 CD LYS A 16 16.010 24.395 6.165 1.00 14.83 C +ATOM 133 CE LYS A 16 14.620 24.491 5.523 1.00 16.90 C +ATOM 134 NZ LYS A 16 14.312 25.726 4.778 1.00 17.57 N +ATOM 135 N GLU A 17 21.666 24.278 5.655 1.00 11.09 N +ATOM 136 CA GLU A 17 22.911 24.507 6.437 1.00 10.77 C +ATOM 137 C GLU A 17 23.960 23.480 6.033 1.00 10.05 C +ATOM 138 O GLU A 17 23.614 22.379 5.561 1.00 9.27 O +ATOM 139 CB GLU A 17 22.775 24.492 7.945 1.00 12.45 C +ATOM 140 CG GLU A 17 22.660 23.115 8.634 1.00 13.79 C +ATOM 141 CD GLU A 17 22.512 23.024 10.097 1.00 16.11 C +ATOM 142 OE1 GLU A 17 22.969 24.022 10.729 1.00 17.78 O +ATOM 143 OE2 GLU A 17 22.042 22.068 10.658 1.00 15.69 O +ATOM 144 N GLY A 18 25.242 23.783 6.404 1.00 10.77 N +ATOM 145 CA GLY A 18 26.294 22.779 6.077 1.00 10.94 C +ATOM 146 C GLY A 18 26.321 22.187 4.705 1.00 7.65 C +ATOM 147 O GLY A 18 26.288 22.895 3.733 1.00 9.16 O +ATOM 148 N ASP A 19 26.440 20.837 4.552 1.00 8.81 N +ATOM 149 CA ASP A 19 26.394 20.156 3.276 1.00 8.35 C +ATOM 150 C ASP A 19 25.020 20.487 2.593 1.00 7.74 C +ATOM 151 O ASP A 19 24.066 20.070 3.352 1.00 7.86 O +ATOM 152 CB ASP A 19 26.637 18.673 3.487 1.00 8.73 C +ATOM 153 CG ASP A 19 26.915 17.983 2.166 1.00 9.22 C +ATOM 154 OD1 ASP A 19 26.368 18.348 1.090 1.00 12.08 O +ATOM 155 OD2 ASP A 19 27.493 16.904 2.248 1.00 11.10 O +ATOM 156 N PRO A 20 25.050 21.126 1.508 1.00 9.10 N +ATOM 157 CA PRO A 20 23.764 21.500 0.837 1.00 9.41 C +ATOM 158 C PRO A 20 23.092 20.240 0.346 1.00 11.04 C +ATOM 159 O PRO A 20 21.869 20.368 0.009 1.00 12.74 O +ATOM 160 CB PRO A 20 24.058 22.665 -0.076 1.00 11.01 C +ATOM 161 CG PRO A 20 25.428 22.310 -0.591 1.00 11.38 C +ATOM 162 CD PRO A 20 26.120 21.706 0.636 1.00 10.42 C +ATOM 163 N ASN A 21 23.741 19.101 0.232 1.00 8.87 N +ATOM 164 CA ASN A 21 23.089 17.931 -0.370 1.00 10.97 C +ATOM 165 C ASN A 21 22.782 16.886 0.667 1.00 9.13 C +ATOM 166 O ASN A 21 22.375 15.743 0.198 1.00 11.69 O +ATOM 167 CB ASN A 21 23.980 17.292 -1.495 1.00 15.14 C +ATOM 168 CG ASN A 21 24.200 18.308 -2.599 1.00 20.21 C +ATOM 169 OD1 ASN A 21 23.180 18.750 -3.183 1.00 22.93 O +ATOM 170 ND2 ASN A 21 25.467 18.680 -2.820 1.00 23.20 N +ATOM 171 N GLN A 22 23.042 17.091 1.917 1.00 6.08 N +ATOM 172 CA GLN A 22 22.771 16.166 2.946 1.00 6.47 C +ATOM 173 C GLN A 22 22.061 16.772 4.145 1.00 5.56 C +ATOM 174 O GLN A 22 22.142 18.024 4.319 1.00 6.51 O +ATOM 175 CB GLN A 22 23.972 15.356 3.540 1.00 6.84 C +ATOM 176 CG GLN A 22 24.798 14.792 2.387 1.00 7.46 C +ATOM 177 CD GLN A 22 25.788 13.799 2.942 1.00 12.49 C +ATOM 178 OE1 GLN A 22 25.417 12.687 3.224 1.00 13.08 O +ATOM 179 NE2 GLN A 22 27.038 14.288 3.071 1.00 12.41 N +ATOM 180 N LEU A 23 21.366 15.950 4.967 1.00 6.45 N +ATOM 181 CA LEU A 23 20.666 16.517 6.110 1.00 6.69 C +ATOM 182 C LEU A 23 21.483 16.441 7.391 1.00 7.21 C +ATOM 183 O LEU A 23 21.930 15.323 7.765 1.00 8.58 O +ATOM 184 CB LEU A 23 19.296 15.745 6.398 1.00 7.09 C +ATOM 185 CG LEU A 23 18.244 15.760 5.322 1.00 9.21 C +ATOM 186 CD1 LEU A 23 17.306 14.591 5.648 1.00 9.60 C +ATOM 187 CD2 LEU A 23 17.602 17.138 5.269 1.00 11.30 C +ATOM 188 N SER A 24 21.619 17.518 8.132 1.00 8.23 N +ATOM 189 CA SER A 24 22.197 17.468 9.459 1.00 8.65 C +ATOM 190 C SER A 24 21.023 17.010 10.421 1.00 9.31 C +ATOM 191 O SER A 24 19.848 16.977 9.941 1.00 8.34 O +ATOM 192 CB SER A 24 22.519 18.920 9.865 1.00 12.76 C +ATOM 193 OG SER A 24 21.361 19.729 9.918 1.00 13.74 O +ATOM 194 N LYS A 25 21.300 16.712 11.635 1.00 10.67 N +ATOM 195 CA LYS A 25 20.221 16.283 12.582 1.00 10.81 C +ATOM 196 C LYS A 25 19.234 17.437 12.688 1.00 12.56 C +ATOM 197 O LYS A 25 18.012 17.102 12.700 1.00 12.50 O +ATOM 198 CB LYS A 25 20.796 15.984 13.974 1.00 12.59 C +ATOM 199 CG LYS A 25 19.752 15.448 14.952 1.00 15.77 C +ATOM 200 CD LYS A 25 20.403 15.430 16.362 1.00 20.04 C +ATOM 201 CE LYS A 25 21.261 14.211 16.497 1.00 21.46 C +ATOM 202 NZ LYS A 25 21.919 14.272 17.862 1.00 21.98 N +ATOM 203 N GLU A 26 19.644 18.673 12.769 1.00 12.95 N +ATOM 204 CA GLU A 26 18.649 19.770 12.901 1.00 13.98 C +ATOM 205 C GLU A 26 17.749 19.861 11.681 1.00 12.38 C +ATOM 206 O GLU A 26 16.507 20.174 11.695 1.00 10.67 O +ATOM 207 CB GLU A 26 19.333 21.077 13.203 1.00 21.16 C +ATOM 208 CG GLU A 26 18.357 22.240 13.474 1.00 30.68 C +ATOM 209 CD GLU A 26 18.941 23.268 14.416 1.00 36.88 C +ATOM 210 OE1 GLU A 26 20.158 23.477 14.590 1.00 39.44 O +ATOM 211 OE2 GLU A 26 18.012 23.879 15.031 1.00 40.17 O +ATOM 212 N GLU A 27 18.403 19.674 10.506 1.00 9.15 N +ATOM 213 CA GLU A 27 17.599 19.663 9.239 1.00 8.82 C +ATOM 214 C GLU A 27 16.631 18.510 9.223 1.00 9.13 C +ATOM 215 O GLU A 27 15.473 18.751 8.739 1.00 10.28 O +ATOM 216 CB GLU A 27 18.441 19.691 7.963 1.00 9.14 C +ATOM 217 CG GLU A 27 19.136 21.032 7.680 1.00 6.50 C +ATOM 218 CD GLU A 27 20.312 20.908 6.700 1.00 7.54 C +ATOM 219 OE1 GLU A 27 20.770 19.743 6.555 1.00 10.37 O +ATOM 220 OE2 GLU A 27 20.684 21.804 6.036 1.00 8.83 O +ATOM 221 N LEU A 28 16.962 17.332 9.707 1.00 10.32 N +ATOM 222 CA LEU A 28 16.046 16.191 9.706 1.00 8.81 C +ATOM 223 C LEU A 28 14.869 16.584 10.646 1.00 10.69 C +ATOM 224 O LEU A 28 13.710 16.340 10.221 1.00 10.04 O +ATOM 225 CB LEU A 28 16.693 14.941 10.241 1.00 12.04 C +ATOM 226 CG LEU A 28 15.768 13.721 10.194 1.00 13.23 C +ATOM 227 CD1 LEU A 28 15.301 13.349 8.814 1.00 13.07 C +ATOM 228 CD2 LEU A 28 16.559 12.587 10.867 1.00 15.98 C +ATOM 229 N LYS A 29 15.199 17.188 11.774 1.00 10.13 N +ATOM 230 CA LYS A 29 14.146 17.646 12.729 1.00 11.47 C +ATOM 231 C LYS A 29 13.184 18.577 12.033 1.00 11.82 C +ATOM 232 O LYS A 29 11.925 18.359 12.184 1.00 13.35 O +ATOM 233 CB LYS A 29 14.726 18.239 13.970 1.00 13.80 C +ATOM 234 CG LYS A 29 13.745 18.731 15.055 1.00 17.89 C +ATOM 235 CD LYS A 29 14.612 19.323 16.225 1.00 25.54 C +ATOM 236 CE LYS A 29 15.529 18.260 16.889 1.00 29.28 C +ATOM 237 NZ LYS A 29 15.886 18.470 18.332 1.00 33.61 N +ATOM 238 N LEU A 30 13.621 19.603 11.335 1.00 10.99 N +ATOM 239 CA LEU A 30 12.731 20.504 10.638 1.00 11.89 C +ATOM 240 C LEU A 30 11.884 19.784 9.637 1.00 13.13 C +ATOM 241 O LEU A 30 10.626 19.975 9.521 1.00 13.05 O +ATOM 242 CB ALEU A 30 13.509 21.639 9.986 0.67 13.82 C +ATOM 243 CB BLEU A 30 13.588 21.626 10.009 0.33 13.10 C +ATOM 244 CG ALEU A 30 14.128 22.633 10.983 0.67 13.06 C +ATOM 245 CG BLEU A 30 12.906 22.908 9.592 0.33 12.54 C +ATOM 246 CD1ALEU A 30 14.944 23.616 10.132 0.67 12.89 C +ATOM 247 CD1BLEU A 30 12.066 23.515 10.709 0.33 13.10 C +ATOM 248 CD2ALEU A 30 13.034 23.288 11.801 0.67 14.76 C +ATOM 249 CD2BLEU A 30 13.922 23.940 9.097 0.33 13.46 C +ATOM 250 N LEU A 31 12.467 18.907 8.844 1.00 11.10 N +ATOM 251 CA LEU A 31 11.711 18.145 7.819 1.00 10.06 C +ATOM 252 C LEU A 31 10.621 17.311 8.507 1.00 11.14 C +ATOM 253 O LEU A 31 9.527 17.453 7.922 1.00 11.04 O +ATOM 254 CB LEU A 31 12.702 17.354 6.992 1.00 11.39 C +ATOM 255 CG LEU A 31 12.196 16.690 5.710 1.00 13.71 C +ATOM 256 CD1 LEU A 31 13.489 16.187 4.931 1.00 12.58 C +ATOM 257 CD2 LEU A 31 11.351 15.491 6.042 1.00 14.93 C +ATOM 258 N LEU A 32 10.929 16.521 9.480 1.00 10.18 N +ATOM 259 CA LEU A 32 10.014 15.642 10.157 1.00 13.72 C +ATOM 260 C LEU A 32 8.895 16.436 10.836 1.00 15.29 C +ATOM 261 O LEU A 32 7.706 16.107 10.580 1.00 17.30 O +ATOM 262 CB LEU A 32 10.672 14.622 11.105 1.00 13.60 C +ATOM 263 CG LEU A 32 11.503 13.543 10.425 1.00 13.44 C +ATOM 264 CD1 LEU A 32 11.960 12.564 11.541 1.00 13.94 C +ATOM 265 CD2 LEU A 32 10.868 12.877 9.257 1.00 13.88 C +ATOM 266 N GLN A 33 9.266 17.436 11.562 1.00 16.88 N +ATOM 267 CA GLN A 33 8.272 18.250 12.276 1.00 20.20 C +ATOM 268 C GLN A 33 7.303 18.881 11.290 1.00 20.92 C +ATOM 269 O GLN A 33 6.133 19.008 11.691 1.00 22.12 O +ATOM 270 CB GLN A 33 8.900 19.434 12.951 1.00 23.21 C +ATOM 271 CG GLN A 33 9.702 19.218 14.169 1.00 29.48 C +ATOM 272 CD GLN A 33 10.189 20.616 14.678 1.00 32.84 C +ATOM 273 OE1 GLN A 33 10.098 21.625 13.948 1.00 35.04 O +ATOM 274 NE2 GLN A 33 10.673 20.551 15.915 1.00 34.63 N +ATOM 275 N THR A 34 7.757 19.340 10.153 1.00 20.72 N +ATOM 276 CA THR A 34 6.924 20.025 9.198 1.00 20.25 C +ATOM 277 C THR A 34 6.175 19.076 8.294 1.00 20.13 C +ATOM 278 O THR A 34 4.958 19.324 8.089 1.00 21.06 O +ATOM 279 CB THR A 34 7.756 21.047 8.314 1.00 21.10 C +ATOM 280 OG1 THR A 34 8.487 21.964 9.237 1.00 22.29 O +ATOM 281 CG2 THR A 34 6.993 21.829 7.253 1.00 21.04 C +ATOM 282 N GLU A 35 6.822 18.070 7.725 1.00 17.81 N +ATOM 283 CA GLU A 35 6.202 17.244 6.728 1.00 17.98 C +ATOM 284 C GLU A 35 5.666 15.898 7.116 1.00 18.53 C +ATOM 285 O GLU A 35 4.725 15.370 6.523 1.00 18.98 O +ATOM 286 CB GLU A 35 7.238 17.013 5.566 1.00 17.76 C +ATOM 287 CG GLU A 35 7.853 18.253 5.013 1.00 21.19 C +ATOM 288 CD GLU A 35 7.238 19.156 4.030 1.00 25.54 C +ATOM 289 OE1 GLU A 35 6.203 18.691 3.486 1.00 24.75 O +ATOM 290 OE2 GLU A 35 7.724 20.315 3.782 1.00 27.21 O +ATOM 291 N PHE A 36 6.292 15.260 8.077 1.00 18.61 N +ATOM 292 CA PHE A 36 5.986 13.909 8.555 1.00 18.72 C +ATOM 293 C PHE A 36 6.042 13.827 10.069 1.00 19.63 C +ATOM 294 O PHE A 36 6.755 13.002 10.651 1.00 18.17 O +ATOM 295 CB PHE A 36 6.955 12.892 7.900 1.00 17.96 C +ATOM 296 CG PHE A 36 7.084 13.034 6.410 1.00 20.19 C +ATOM 297 CD1 PHE A 36 6.019 12.750 5.569 1.00 19.51 C +ATOM 298 CD2 PHE A 36 8.324 13.471 5.887 1.00 19.07 C +ATOM 299 CE1 PHE A 36 6.158 12.932 4.202 1.00 20.74 C +ATOM 300 CE2 PHE A 36 8.511 13.623 4.513 1.00 20.07 C +ATOM 301 CZ PHE A 36 7.418 13.351 3.689 1.00 19.88 C +ATOM 302 N PRO A 37 5.240 14.664 10.730 1.00 20.87 N +ATOM 303 CA PRO A 37 5.211 14.767 12.198 1.00 22.67 C +ATOM 304 C PRO A 37 4.922 13.491 12.968 1.00 24.30 C +ATOM 305 O PRO A 37 5.436 13.269 14.122 1.00 24.99 O +ATOM 306 CB PRO A 37 4.208 15.895 12.501 1.00 22.19 C +ATOM 307 CG PRO A 37 3.495 16.170 11.198 1.00 21.95 C +ATOM 308 CD PRO A 37 4.394 15.705 10.078 1.00 21.56 C +ATOM 309 N SER A 38 4.200 12.569 12.395 1.00 24.98 N +ATOM 310 CA SER A 38 3.936 11.324 13.170 1.00 27.34 C +ATOM 311 C SER A 38 5.227 10.546 13.319 1.00 28.10 C +ATOM 312 O SER A 38 5.284 9.657 14.194 1.00 28.52 O +ATOM 313 CB SER A 38 2.851 10.481 12.529 1.00 27.24 C +ATOM 314 OG SER A 38 3.124 9.978 11.249 1.00 28.45 O +ATOM 315 N LEU A 39 6.252 10.820 12.489 1.00 27.41 N +ATOM 316 CA LEU A 39 7.453 10.021 12.567 1.00 27.03 C +ATOM 317 C LEU A 39 8.160 10.273 13.874 1.00 27.24 C +ATOM 318 O LEU A 39 8.966 9.365 14.197 1.00 28.68 O +ATOM 319 CB LEU A 39 8.360 10.169 11.349 1.00 26.44 C +ATOM 320 CG LEU A 39 8.071 9.387 10.089 1.00 28.80 C +ATOM 321 CD1 LEU A 39 9.260 9.417 9.101 1.00 28.88 C +ATOM 322 CD2 LEU A 39 7.836 7.920 10.402 1.00 29.97 C +ATOM 323 N LEU A 40 7.935 11.360 14.504 1.00 27.05 N +ATOM 324 CA LEU A 40 8.609 11.723 15.781 1.00 27.24 C +ATOM 325 C LEU A 40 7.870 11.372 17.040 1.00 26.86 C +ATOM 326 O LEU A 40 8.384 11.679 18.147 1.00 28.48 O +ATOM 327 CB LEU A 40 8.862 13.254 15.726 1.00 27.95 C +ATOM 328 CG LEU A 40 9.840 13.819 14.738 1.00 28.96 C +ATOM 329 CD1 LEU A 40 9.728 15.347 14.786 1.00 29.18 C +ATOM 330 CD2 LEU A 40 11.274 13.405 15.062 1.00 29.86 C +ATOM 331 N ALYS A 41 6.656 10.858 16.989 0.50 26.16 N +ATOM 332 N BLYS A 41 6.834 10.560 16.902 0.50 26.54 N +ATOM 333 CA ALYS A 41 5.967 10.556 18.279 0.50 25.36 C +ATOM 334 CA BLYS A 41 6.003 10.116 18.017 0.50 25.54 C +ATOM 335 C ALYS A 41 5.965 9.055 18.463 0.50 23.60 C +ATOM 336 C BLYS A 41 6.261 8.766 18.600 0.50 24.11 C +ATOM 337 O ALYS A 41 5.327 8.445 19.332 0.50 24.83 O +ATOM 338 O BLYS A 41 5.601 8.366 19.613 0.50 25.01 O +ATOM 339 CB ALYS A 41 4.638 11.254 18.392 0.50 27.29 C +ATOM 340 CB BLYS A 41 4.547 10.479 17.679 0.50 27.68 C +ATOM 341 CG ALYS A 41 4.684 12.780 18.442 0.50 28.29 C +ATOM 342 CG BLYS A 41 4.342 11.928 17.125 0.50 28.02 C +ATOM 343 CD ALYS A 41 4.740 13.273 19.894 0.50 28.54 C +ATOM 344 CD BLYS A 41 5.069 13.006 17.866 0.50 28.47 C +ATOM 345 CE ALYS A 41 6.128 13.179 20.486 0.50 28.82 C +ATOM 346 CE BLYS A 41 4.483 14.368 17.976 0.50 28.39 C +ATOM 347 NZ ALYS A 41 7.140 13.635 19.496 0.50 27.67 N +ATOM 348 NZ BLYS A 41 4.731 14.963 19.334 0.50 28.76 N +ATOM 349 N AGLY A 42 6.844 8.458 17.673 0.50 21.33 N +ATOM 350 N BGLY A 42 7.272 8.008 18.162 0.50 21.71 N +ATOM 351 CA AGLY A 42 7.116 7.046 17.632 0.50 18.43 C +ATOM 352 CA BGLY A 42 7.631 6.748 18.761 0.50 18.98 C +ATOM 353 C AGLY A 42 8.057 6.638 18.767 0.50 16.65 C +ATOM 354 C BGLY A 42 7.875 5.517 17.936 0.50 16.89 C +ATOM 355 O AGLY A 42 8.429 7.451 19.626 0.50 15.94 O +ATOM 356 O BGLY A 42 7.373 5.354 16.822 0.50 16.74 O +ATOM 357 N APRO A 43 8.400 5.354 18.676 0.50 15.51 N +ATOM 358 N BPRO A 43 8.658 4.557 18.438 0.50 15.28 N +ATOM 359 CA APRO A 43 9.249 4.736 19.677 0.50 14.69 C +ATOM 360 CA BPRO A 43 9.297 4.627 19.739 0.50 14.56 C +ATOM 361 C APRO A 43 10.609 5.378 19.739 0.50 14.39 C +ATOM 362 C BPRO A 43 10.639 5.316 19.733 0.50 14.28 C +ATOM 363 O APRO A 43 11.162 5.406 20.806 0.50 14.19 O +ATOM 364 O BPRO A 43 11.240 5.320 20.792 0.50 14.06 O +ATOM 365 CB APRO A 43 9.291 3.258 19.361 0.50 14.82 C +ATOM 366 CB BPRO A 43 9.429 3.146 20.141 0.50 14.68 C +ATOM 367 CG APRO A 43 8.459 3.039 18.134 0.50 15.36 C +ATOM 368 CG BPRO A 43 9.496 2.373 18.858 0.50 14.88 C +ATOM 369 CD APRO A 43 7.968 4.386 17.660 0.50 15.36 C +ATOM 370 CD BPRO A 43 8.954 3.297 17.756 0.50 15.34 C +ATOM 371 N SER A 44 11.130 5.825 18.599 1.00 15.13 N +ATOM 372 CA SER A 44 12.473 6.451 18.626 1.00 14.50 C +ATOM 373 C SER A 44 12.473 7.924 18.888 1.00 14.97 C +ATOM 374 O SER A 44 11.593 8.674 18.376 1.00 16.75 O +ATOM 375 CB SER A 44 13.143 6.237 17.253 1.00 14.98 C +ATOM 376 OG SER A 44 13.328 4.858 16.978 1.00 18.13 O +ATOM 377 N THR A 45 13.495 8.400 19.562 1.00 13.05 N +ATOM 378 CA THR A 45 13.677 9.878 19.672 1.00 13.51 C +ATOM 379 C THR A 45 14.362 10.328 18.339 1.00 13.91 C +ATOM 380 O THR A 45 14.813 9.479 17.562 1.00 13.67 O +ATOM 381 CB THR A 45 14.642 10.194 20.875 1.00 15.36 C +ATOM 382 OG1 THR A 45 15.903 9.557 20.470 1.00 16.96 O +ATOM 383 CG2 THR A 45 14.159 9.480 22.168 1.00 15.82 C +ATOM 384 N LEU A 46 14.456 11.645 18.154 1.00 14.74 N +ATOM 385 CA LEU A 46 15.122 12.166 16.903 1.00 15.63 C +ATOM 386 C LEU A 46 16.582 11.755 16.896 1.00 16.60 C +ATOM 387 O LEU A 46 17.027 11.344 15.809 1.00 15.48 O +ATOM 388 CB LEU A 46 14.853 13.662 16.872 1.00 19.26 C +ATOM 389 CG LEU A 46 15.286 14.554 15.706 1.00 20.92 C +ATOM 390 CD1 LEU A 46 16.630 15.150 15.984 1.00 23.05 C +ATOM 391 CD2 LEU A 46 15.270 13.856 14.384 1.00 22.49 C +ATOM 392 N ASP A 47 17.259 11.829 18.026 1.00 17.70 N +ATOM 393 CA ASP A 47 18.665 11.413 18.108 1.00 18.89 C +ATOM 394 C ASP A 47 18.796 9.968 17.674 1.00 19.71 C +ATOM 395 O ASP A 47 19.674 9.637 16.872 1.00 20.69 O +ATOM 396 CB ASP A 47 19.210 11.579 19.545 1.00 22.35 C +ATOM 397 CG ASP A 47 19.318 13.031 19.937 1.00 26.86 C +ATOM 398 OD1 ASP A 47 19.435 13.972 19.142 1.00 28.54 O +ATOM 399 OD2 ASP A 47 19.360 13.254 21.179 1.00 30.28 O +ATOM 400 N GLU A 48 17.869 9.070 18.110 1.00 17.92 N +ATOM 401 CA GLU A 48 17.938 7.699 17.723 1.00 17.62 C +ATOM 402 C GLU A 48 17.653 7.441 16.281 1.00 17.11 C +ATOM 403 O GLU A 48 18.318 6.633 15.594 1.00 17.58 O +ATOM 404 CB GLU A 48 17.017 6.781 18.528 1.00 17.94 C +ATOM 405 CG GLU A 48 17.394 6.722 19.988 1.00 20.63 C +ATOM 406 CD GLU A 48 16.336 6.196 20.911 1.00 24.16 C +ATOM 407 OE1 GLU A 48 15.142 6.341 20.639 1.00 24.18 O +ATOM 408 OE2 GLU A 48 16.687 5.649 21.968 1.00 27.68 O +ATOM 409 N LEU A 49 16.636 8.130 15.770 1.00 16.90 N +ATOM 410 CA LEU A 49 16.296 8.010 14.345 1.00 16.40 C +ATOM 411 C LEU A 49 17.562 8.520 13.526 1.00 14.40 C +ATOM 412 O LEU A 49 17.962 7.836 12.638 1.00 14.95 O +ATOM 413 CB LEU A 49 15.026 8.815 14.111 1.00 18.68 C +ATOM 414 CG LEU A 49 14.132 8.645 12.902 1.00 23.02 C +ATOM 415 CD1 LEU A 49 14.054 7.216 12.379 1.00 24.12 C +ATOM 416 CD2 LEU A 49 12.686 9.041 13.341 1.00 25.46 C +ATOM 417 N PHE A 50 18.050 9.670 13.871 1.00 14.75 N +ATOM 418 CA PHE A 50 19.255 10.173 13.123 1.00 16.58 C +ATOM 419 C PHE A 50 20.387 9.139 13.092 1.00 16.96 C +ATOM 420 O PHE A 50 20.985 8.905 12.040 1.00 15.58 O +ATOM 421 CB PHE A 50 19.762 11.484 13.757 1.00 14.79 C +ATOM 422 CG PHE A 50 20.800 12.125 12.828 1.00 15.57 C +ATOM 423 CD1 PHE A 50 20.424 12.807 11.726 1.00 13.27 C +ATOM 424 CD2 PHE A 50 22.182 11.973 13.187 1.00 16.68 C +ATOM 425 CE1 PHE A 50 21.355 13.425 10.853 1.00 14.74 C +ATOM 426 CE2 PHE A 50 23.122 12.529 12.284 1.00 15.36 C +ATOM 427 CZ PHE A 50 22.709 13.197 11.183 1.00 13.97 C +ATOM 428 N GLU A 51 20.673 8.610 14.296 1.00 19.18 N +ATOM 429 CA GLU A 51 21.747 7.590 14.428 1.00 21.44 C +ATOM 430 C GLU A 51 21.485 6.398 13.610 1.00 21.25 C +ATOM 431 O GLU A 51 22.389 5.800 12.999 1.00 21.57 O +ATOM 432 CB GLU A 51 21.792 7.161 15.909 1.00 27.96 C +ATOM 433 CG GLU A 51 22.346 8.242 16.841 1.00 35.42 C +ATOM 434 CD GLU A 51 23.759 8.684 16.572 1.00 39.94 C +ATOM 435 OE1 GLU A 51 23.952 9.457 15.581 1.00 41.36 O +ATOM 436 OE2 GLU A 51 24.684 8.287 17.306 1.00 43.14 O +ATOM 437 N GLU A 52 20.234 5.973 13.457 1.00 19.91 N +ATOM 438 CA GLU A 52 19.909 4.821 12.639 1.00 19.18 C +ATOM 439 C GLU A 52 20.063 5.017 11.147 1.00 18.20 C +ATOM 440 O GLU A 52 20.409 4.107 10.389 1.00 19.26 O +ATOM 441 CB GLU A 52 18.448 4.428 12.869 1.00 21.28 C +ATOM 442 CG GLU A 52 18.046 3.090 12.289 1.00 26.24 C +ATOM 443 CD GLU A 52 16.586 2.761 12.294 1.00 29.81 C +ATOM 444 OE1 GLU A 52 15.848 3.418 13.057 1.00 30.56 O +ATOM 445 OE2 GLU A 52 16.191 1.860 11.526 1.00 33.08 O +ATOM 446 N LEU A 53 19.668 6.216 10.671 1.00 15.64 N +ATOM 447 CA LEU A 53 19.691 6.604 9.289 1.00 14.68 C +ATOM 448 C LEU A 53 21.165 6.846 8.776 1.00 13.62 C +ATOM 449 O LEU A 53 21.445 6.528 7.632 1.00 13.54 O +ATOM 450 CB LEU A 53 18.833 7.807 9.021 1.00 15.98 C +ATOM 451 CG LEU A 53 17.361 7.847 9.304 1.00 18.52 C +ATOM 452 CD1 LEU A 53 16.792 9.227 9.005 1.00 19.18 C +ATOM 453 CD2 LEU A 53 16.663 6.755 8.494 1.00 20.53 C +ATOM 454 N ASP A 54 21.889 7.420 9.736 1.00 13.99 N +ATOM 455 CA ASP A 54 23.315 7.751 9.417 1.00 15.01 C +ATOM 456 C ASP A 54 24.194 6.494 9.524 1.00 15.45 C +ATOM 457 O ASP A 54 24.962 6.337 10.489 1.00 16.03 O +ATOM 458 CB ASP A 54 23.791 8.963 10.220 1.00 13.80 C +ATOM 459 CG ASP A 54 25.292 9.323 9.917 1.00 12.77 C +ATOM 460 OD1 ASP A 54 25.749 8.913 8.893 1.00 14.96 O +ATOM 461 OD2 ASP A 54 25.869 9.905 10.863 1.00 13.27 O +ATOM 462 N LYS A 55 24.188 5.664 8.542 1.00 16.96 N +ATOM 463 CA LYS A 55 24.929 4.424 8.493 1.00 21.73 C +ATOM 464 C LYS A 55 26.445 4.599 8.528 1.00 22.74 C +ATOM 465 O LYS A 55 27.153 3.846 9.302 1.00 24.52 O +ATOM 466 CB LYS A 55 24.570 3.660 7.240 1.00 23.75 C +ATOM 467 CG LYS A 55 23.118 3.092 7.227 1.00 27.93 C +ATOM 468 CD LYS A 55 22.880 2.789 5.729 1.00 30.97 C +ATOM 469 CE LYS A 55 21.469 2.294 5.415 1.00 32.44 C +ATOM 470 NZ LYS A 55 20.969 2.840 4.143 1.00 30.26 N +ATOM 471 N ASN A 56 26.958 5.540 7.729 1.00 22.34 N +ATOM 472 CA ASN A 56 28.424 5.705 7.705 1.00 21.79 C +ATOM 473 C ASN A 56 28.878 6.517 8.866 1.00 22.50 C +ATOM 474 O ASN A 56 30.137 6.712 8.888 1.00 24.29 O +ATOM 475 CB ASN A 56 28.941 6.123 6.351 1.00 20.71 C +ATOM 476 CG ASN A 56 28.611 7.536 5.991 1.00 21.70 C +ATOM 477 OD1 ASN A 56 27.584 8.025 6.524 1.00 19.64 O +ATOM 478 ND2 ASN A 56 29.375 8.222 5.127 1.00 20.75 N +ATOM 479 N GLY A 57 28.083 7.028 9.738 1.00 21.25 N +ATOM 480 CA GLY A 57 28.546 7.774 10.884 1.00 21.18 C +ATOM 481 C GLY A 57 29.279 9.064 10.609 1.00 21.00 C +ATOM 482 O GLY A 57 30.069 9.475 11.509 1.00 21.43 O +ATOM 483 N ASP A 58 28.954 9.718 9.489 1.00 19.19 N +ATOM 484 CA ASP A 58 29.582 10.999 9.140 1.00 18.29 C +ATOM 485 C ASP A 58 28.826 12.233 9.642 1.00 16.65 C +ATOM 486 O ASP A 58 29.283 13.378 9.381 1.00 17.61 O +ATOM 487 CB ASP A 58 29.933 11.044 7.670 1.00 17.15 C +ATOM 488 CG ASP A 58 28.671 10.966 6.764 1.00 17.94 C +ATOM 489 OD1 ASP A 58 27.555 10.908 7.344 1.00 18.31 O +ATOM 490 OD2 ASP A 58 28.864 10.984 5.553 1.00 16.16 O +ATOM 491 N GLY A 59 27.739 12.039 10.351 1.00 14.56 N +ATOM 492 CA GLY A 59 26.944 13.099 10.931 1.00 13.56 C +ATOM 493 C GLY A 59 26.000 13.689 9.875 1.00 12.34 C +ATOM 494 O GLY A 59 25.439 14.770 10.232 1.00 14.04 O +ATOM 495 N GLU A 60 25.831 13.085 8.783 1.00 11.88 N +ATOM 496 CA GLU A 60 24.956 13.659 7.728 1.00 10.67 C +ATOM 497 C GLU A 60 24.062 12.582 7.198 1.00 11.37 C +ATOM 498 O GLU A 60 24.502 11.415 7.222 1.00 12.00 O +ATOM 499 CB GLU A 60 25.725 14.147 6.493 1.00 12.37 C +ATOM 500 CG GLU A 60 26.718 15.226 6.799 1.00 11.81 C +ATOM 501 CD GLU A 60 26.256 16.599 6.983 1.00 14.11 C +ATOM 502 OE1 GLU A 60 25.110 16.840 6.472 1.00 12.06 O +ATOM 503 OE2 GLU A 60 26.967 17.468 7.426 1.00 14.87 O +ATOM 504 N VAL A 61 22.857 12.921 6.782 1.00 11.22 N +ATOM 505 CA VAL A 61 21.981 11.861 6.165 1.00 9.47 C +ATOM 506 C VAL A 61 21.865 12.166 4.703 1.00 9.93 C +ATOM 507 O VAL A 61 21.365 13.216 4.243 1.00 8.46 O +ATOM 508 CB VAL A 61 20.600 11.776 6.891 1.00 9.66 C +ATOM 509 CG1 VAL A 61 19.609 10.973 6.060 1.00 9.47 C +ATOM 510 CG2 VAL A 61 20.778 11.271 8.290 1.00 10.50 C +ATOM 511 N SER A 62 22.352 11.237 3.831 1.00 10.42 N +ATOM 512 CA SER A 62 22.295 11.466 2.376 1.00 12.18 C +ATOM 513 C SER A 62 20.881 11.041 1.861 1.00 12.67 C +ATOM 514 O SER A 62 20.127 10.431 2.645 1.00 12.06 O +ATOM 515 CB SER A 62 23.323 10.680 1.608 1.00 13.73 C +ATOM 516 OG SER A 62 23.036 9.271 1.840 1.00 12.53 O +ATOM 517 N PHE A 63 20.625 11.348 0.594 1.00 14.50 N +ATOM 518 CA PHE A 63 19.302 10.909 0.057 1.00 15.39 C +ATOM 519 C PHE A 63 19.229 9.371 0.065 1.00 15.31 C +ATOM 520 O PHE A 63 18.160 8.822 0.366 1.00 14.95 O +ATOM 521 CB PHE A 63 18.934 11.510 -1.265 1.00 14.48 C +ATOM 522 CG PHE A 63 17.525 11.220 -1.664 1.00 15.35 C +ATOM 523 CD1 PHE A 63 16.404 11.715 -1.003 1.00 17.76 C +ATOM 524 CD2 PHE A 63 17.368 10.351 -2.797 1.00 17.66 C +ATOM 525 CE1 PHE A 63 15.125 11.433 -1.494 1.00 19.30 C +ATOM 526 CE2 PHE A 63 16.075 10.060 -3.261 1.00 18.34 C +ATOM 527 CZ PHE A 63 14.953 10.610 -2.630 1.00 18.57 C +ATOM 528 N GLU A 64 20.385 8.748 -0.142 1.00 15.44 N +ATOM 529 CA GLU A 64 20.374 7.216 -0.151 1.00 18.14 C +ATOM 530 C GLU A 64 20.008 6.670 1.218 1.00 17.03 C +ATOM 531 O GLU A 64 19.334 5.677 1.453 1.00 15.69 O +ATOM 532 CB GLU A 64 21.748 6.760 -0.549 1.00 23.53 C +ATOM 533 CG GLU A 64 22.115 5.675 -1.477 1.00 32.01 C +ATOM 534 CD GLU A 64 23.433 5.913 -2.243 1.00 36.76 C +ATOM 535 OE1 GLU A 64 24.576 5.874 -1.734 1.00 38.07 O +ATOM 536 OE2 GLU A 64 23.242 6.209 -3.472 1.00 38.29 O +ATOM 537 N GLU A 65 20.564 7.326 2.268 1.00 15.95 N +ATOM 538 CA GLU A 65 20.350 6.916 3.626 1.00 15.60 C +ATOM 539 C GLU A 65 18.884 7.149 4.070 1.00 15.38 C +ATOM 540 O GLU A 65 18.334 6.406 4.883 1.00 17.49 O +ATOM 541 CB GLU A 65 21.221 7.623 4.645 1.00 14.07 C +ATOM 542 CG GLU A 65 22.718 7.149 4.498 1.00 12.56 C +ATOM 543 CD GLU A 65 23.718 7.896 5.292 1.00 16.40 C +ATOM 544 OE1 GLU A 65 23.548 9.124 5.431 1.00 12.50 O +ATOM 545 OE2 GLU A 65 24.702 7.339 5.829 1.00 15.70 O +ATOM 546 N PHE A 66 18.384 8.256 3.610 1.00 15.90 N +ATOM 547 CA PHE A 66 16.991 8.696 3.889 1.00 17.44 C +ATOM 548 C PHE A 66 15.948 7.686 3.371 1.00 18.45 C +ATOM 549 O PHE A 66 14.834 7.629 3.935 1.00 17.54 O +ATOM 550 CB PHE A 66 16.789 10.088 3.279 1.00 17.76 C +ATOM 551 CG PHE A 66 15.426 10.696 3.523 1.00 20.92 C +ATOM 552 CD1 PHE A 66 15.177 11.345 4.741 1.00 22.24 C +ATOM 553 CD2 PHE A 66 14.459 10.698 2.522 1.00 21.80 C +ATOM 554 CE1 PHE A 66 13.889 11.941 4.956 1.00 23.75 C +ATOM 555 CE2 PHE A 66 13.210 11.256 2.735 1.00 21.92 C +ATOM 556 CZ PHE A 66 12.919 11.867 3.942 1.00 21.30 C +ATOM 557 N GLN A 67 16.282 6.934 2.355 1.00 20.62 N +ATOM 558 CA GLN A 67 15.339 5.922 1.781 1.00 22.06 C +ATOM 559 C GLN A 67 14.768 4.974 2.815 1.00 22.39 C +ATOM 560 O GLN A 67 13.719 4.403 2.567 1.00 22.11 O +ATOM 561 CB AGLN A 67 15.997 5.048 0.708 0.60 23.79 C +ATOM 562 CB BGLN A 67 15.963 5.036 0.706 0.40 23.50 C +ATOM 563 CG AGLN A 67 16.613 5.803 -0.445 0.60 25.74 C +ATOM 564 CG BGLN A 67 16.872 5.701 -0.273 0.40 25.29 C +ATOM 565 CD AGLN A 67 15.590 6.702 -1.098 0.60 26.56 C +ATOM 566 CD BGLN A 67 16.146 6.500 -1.318 0.40 25.93 C +ATOM 567 OE1AGLN A 67 15.731 7.924 -0.980 0.60 28.09 O +ATOM 568 OE1BGLN A 67 15.419 7.420 -0.951 0.40 27.81 O +ATOM 569 NE2AGLN A 67 14.598 6.018 -1.660 0.60 26.74 N +ATOM 570 NE2BGLN A 67 16.383 6.102 -2.555 0.40 26.37 N +ATOM 571 N VAL A 68 15.531 4.683 3.848 1.00 23.05 N +ATOM 572 CA VAL A 68 15.020 3.743 4.864 1.00 25.01 C +ATOM 573 C VAL A 68 13.687 4.272 5.396 1.00 26.52 C +ATOM 574 O VAL A 68 12.831 3.470 5.874 1.00 27.18 O +ATOM 575 CB VAL A 68 16.198 3.599 5.821 1.00 24.87 C +ATOM 576 CG1 VAL A 68 15.904 3.346 7.270 1.00 27.60 C +ATOM 577 CG2 VAL A 68 17.191 2.601 5.257 1.00 26.41 C +ATOM 578 N LEU A 69 13.397 5.568 5.372 1.00 26.88 N +ATOM 579 CA LEU A 69 12.153 6.114 5.916 1.00 26.76 C +ATOM 580 C LEU A 69 10.957 6.014 5.003 1.00 27.53 C +ATOM 581 O LEU A 69 9.825 6.244 5.474 1.00 27.15 O +ATOM 582 CB LEU A 69 12.301 7.634 6.227 1.00 26.35 C +ATOM 583 CG LEU A 69 13.103 8.066 7.410 1.00 25.97 C +ATOM 584 CD1 LEU A 69 13.036 9.566 7.649 1.00 25.62 C +ATOM 585 CD2 LEU A 69 12.593 7.325 8.653 1.00 28.24 C +ATOM 586 N VAL A 70 11.199 5.783 3.741 1.00 28.37 N +ATOM 587 CA VAL A 70 10.065 5.793 2.797 1.00 29.76 C +ATOM 588 C VAL A 70 9.050 4.741 3.138 1.00 30.87 C +ATOM 589 O VAL A 70 7.857 5.022 2.877 1.00 31.06 O +ATOM 590 CB VAL A 70 10.636 5.790 1.359 1.00 29.35 C +ATOM 591 CG1 VAL A 70 9.532 5.804 0.325 1.00 31.45 C +ATOM 592 CG2 VAL A 70 11.566 6.981 1.185 1.00 28.50 C +ATOM 593 N LYS A 71 9.400 3.572 3.624 1.00 32.21 N +ATOM 594 CA LYS A 71 8.294 2.557 3.897 1.00 34.92 C +ATOM 595 C LYS A 71 7.344 3.184 4.905 1.00 35.44 C +ATOM 596 O LYS A 71 6.107 3.264 4.657 1.00 35.55 O +ATOM 597 CB LYS A 71 8.886 1.220 4.139 1.00 37.08 C +ATOM 598 CG LYS A 71 8.111 -0.032 4.426 1.00 39.59 C +ATOM 599 CD LYS A 71 8.005 -0.421 5.879 1.00 41.93 C +ATOM 600 CE LYS A 71 9.315 -0.746 6.582 1.00 43.71 C +ATOM 601 NZ LYS A 71 9.107 -0.887 8.059 1.00 45.00 N +ATOM 602 N LYS A 72 7.865 3.774 5.951 1.00 36.62 N +ATOM 603 CA LYS A 72 7.151 4.472 7.036 1.00 38.10 C +ATOM 604 C LYS A 72 6.248 5.585 6.526 1.00 38.87 C +ATOM 605 O LYS A 72 5.083 5.725 6.972 1.00 39.44 O +ATOM 606 CB LYS A 72 8.050 5.038 8.139 1.00 37.66 C +ATOM 607 CG LYS A 72 9.048 4.059 8.716 1.00 39.07 C +ATOM 608 CD LYS A 72 9.460 4.290 10.160 1.00 39.36 C +ATOM 609 CE LYS A 72 10.878 4.816 10.255 1.00 40.83 C +ATOM 610 NZ LYS A 72 11.517 4.652 11.591 1.00 41.54 N +ATOM 611 N ILE A 73 6.778 6.371 5.615 1.00 39.47 N +ATOM 612 CA ILE A 73 6.096 7.493 4.978 1.00 41.00 C +ATOM 613 C ILE A 73 4.977 7.089 4.002 1.00 42.35 C +ATOM 614 O ILE A 73 3.974 7.789 3.876 1.00 41.51 O +ATOM 615 CB ILE A 73 7.197 8.331 4.222 1.00 40.50 C +ATOM 616 CG1 ILE A 73 8.116 9.085 5.210 1.00 41.10 C +ATOM 617 CG2 ILE A 73 6.646 9.306 3.161 1.00 41.75 C +ATOM 618 CD1 ILE A 73 9.524 9.348 4.548 1.00 41.46 C +ATOM 619 N SER A 74 5.204 6.042 3.230 1.00 44.46 N +ATOM 620 CA SER A 74 4.369 5.520 2.160 1.00 47.06 C +ATOM 621 C SER A 74 3.130 4.790 2.662 1.00 48.63 C +ATOM 622 O SER A 74 2.049 4.840 2.041 1.00 48.59 O +ATOM 623 CB SER A 74 5.167 4.498 1.308 1.00 47.83 C +ATOM 624 OG SER A 74 6.116 5.145 0.464 1.00 49.09 O +ATOM 625 N GLN A 75 3.431 4.079 3.751 1.00 50.06 N +ATOM 626 CA GLN A 75 2.452 3.246 4.441 1.00 51.30 C +ATOM 627 C GLN A 75 1.556 4.021 5.409 1.00 52.37 C +ATOM 628 O GLN A 75 2.082 4.597 6.389 1.00 52.97 O +ATOM 629 CB AGLN A 75 3.080 2.070 5.197 0.50 50.91 C +ATOM 630 CB BGLN A 75 3.101 2.043 5.136 0.50 51.43 C +ATOM 631 CG AGLN A 75 3.213 0.833 4.310 0.50 50.17 C +ATOM 632 CG BGLN A 75 3.375 0.904 4.156 0.50 51.27 C +ATOM 633 CD AGLN A 75 4.680 0.435 4.280 0.50 49.68 C +ATOM 634 CD BGLN A 75 2.937 -0.421 4.728 0.50 51.14 C +ATOM 635 OE1AGLN A 75 5.105 -0.355 5.095 0.50 49.50 O +ATOM 636 OE1BGLN A 75 1.778 -0.802 4.689 0.50 50.89 O +ATOM 637 NE2AGLN A 75 5.401 1.053 3.361 0.50 49.88 N +ATOM 638 NE2BGLN A 75 3.918 -1.134 5.276 0.50 51.82 N +ATOM 639 OXT GLN A 75 0.341 3.951 5.096 1.00 54.52 O +TER 640 GLN A 75 +END diff --git a/bench/main_benchmark/structures/SFB_OL_CALBD9K_4ICBA_1HT9A/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_CALBD9K_4ICBA_1HT9A/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b6588f20d1547d82f722018e22215efcb0210d90 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_CALBD9K_4ICBA_1HT9A/state_b.pdb @@ -0,0 +1,610 @@ +ATOM 1 N MET A 0 -2.771 -7.832 34.917 1.00 39.42 N +ATOM 2 CA MET A 0 -3.322 -6.655 34.188 1.00 38.49 C +ATOM 3 C MET A 0 -2.319 -5.506 34.140 1.00 34.48 C +ATOM 4 O MET A 0 -1.800 -5.122 35.189 1.00 36.64 O +ATOM 5 CB MET A 0 -4.607 -6.174 34.883 1.00 46.79 C +ATOM 6 CG MET A 0 -5.376 -5.172 34.048 1.00 45.74 C +ATOM 7 SD MET A 0 -7.012 -4.745 34.659 1.00 45.83 S +ATOM 8 CE MET A 0 -7.523 -3.627 33.343 1.00 47.05 C +ATOM 9 N LYS A 1 -2.123 -4.881 32.981 1.00 29.62 N +ATOM 10 CA LYS A 1 -1.136 -3.802 32.906 1.00 27.85 C +ATOM 11 C LYS A 1 -1.729 -2.439 33.248 1.00 28.15 C +ATOM 12 O LYS A 1 -2.699 -2.027 32.612 1.00 32.12 O +ATOM 13 CB LYS A 1 -0.478 -3.707 31.538 1.00 33.60 C +ATOM 14 CG LYS A 1 0.848 -4.438 31.434 1.00 36.40 C +ATOM 15 CD LYS A 1 0.769 -5.617 30.491 1.00 37.95 C +ATOM 16 CE LYS A 1 2.171 -6.082 30.114 1.00 32.26 C +ATOM 17 NZ LYS A 1 2.928 -6.453 31.341 1.00 31.24 N +ATOM 18 N SER A 2 -1.133 -1.738 34.211 1.00 24.01 N +ATOM 19 CA SER A 2 -1.556 -0.349 34.447 1.00 19.76 C +ATOM 20 C SER A 2 -1.066 0.616 33.404 1.00 18.09 C +ATOM 21 O SER A 2 -0.069 0.390 32.690 1.00 19.25 O +ATOM 22 CB SER A 2 -1.032 0.075 35.833 1.00 22.62 C +ATOM 23 OG SER A 2 0.384 0.040 35.773 1.00 24.26 O +ATOM 24 N PRO A 3 -1.569 1.848 33.414 1.00 18.34 N +ATOM 25 CA PRO A 3 -1.157 2.854 32.430 1.00 18.19 C +ATOM 26 C PRO A 3 0.314 3.200 32.640 1.00 18.89 C +ATOM 27 O PRO A 3 1.049 3.436 31.698 1.00 16.96 O +ATOM 28 CB PRO A 3 -2.022 4.059 32.687 1.00 20.90 C +ATOM 29 CG PRO A 3 -3.259 3.472 33.286 1.00 21.32 C +ATOM 30 CD PRO A 3 -2.895 2.212 33.999 1.00 20.62 C +ATOM 31 N GLU A 4 0.692 3.252 33.923 1.00 18.22 N +ATOM 32 CA GLU A 4 2.091 3.579 34.244 1.00 15.94 C +ATOM 33 C GLU A 4 3.000 2.501 33.675 1.00 15.30 C +ATOM 34 O GLU A 4 4.117 2.845 33.225 1.00 16.05 O +ATOM 35 CB GLU A 4 2.231 3.706 35.766 1.00 16.50 C +ATOM 36 CG GLU A 4 1.573 4.956 36.356 1.00 20.27 C +ATOM 37 CD GLU A 4 0.112 4.760 36.745 1.00 22.29 C +ATOM 38 OE1 GLU A 4 -0.412 3.650 36.526 1.00 18.64 O +ATOM 39 OE2 GLU A 4 -0.467 5.731 37.294 1.00 23.55 O +ATOM 40 N GLU A 5 2.612 1.211 33.801 1.00 12.42 N +ATOM 41 CA GLU A 5 3.472 0.193 33.217 1.00 14.43 C +ATOM 42 C GLU A 5 3.582 0.391 31.697 1.00 16.85 C +ATOM 43 O GLU A 5 4.655 0.215 31.106 1.00 15.33 O +ATOM 44 CB GLU A 5 2.994 -1.231 33.517 1.00 14.28 C +ATOM 45 CG GLU A 5 3.987 -2.272 33.030 1.00 13.82 C +ATOM 46 CD GLU A 5 3.718 -3.718 33.397 1.00 22.98 C +ATOM 47 OE1 GLU A 5 4.450 -4.581 32.849 1.00 25.05 O +ATOM 48 OE2 GLU A 5 2.801 -3.991 34.206 1.00 24.46 O +ATOM 49 N LEU A 6 2.483 0.654 31.014 1.00 14.30 N +ATOM 50 CA LEU A 6 2.578 0.791 29.533 1.00 12.53 C +ATOM 51 C LEU A 6 3.466 1.951 29.127 1.00 15.93 C +ATOM 52 O LEU A 6 4.135 1.953 28.095 1.00 14.98 O +ATOM 53 CB LEU A 6 1.137 0.946 29.039 1.00 13.34 C +ATOM 54 CG LEU A 6 0.317 -0.272 28.653 1.00 25.81 C +ATOM 55 CD1 LEU A 6 0.779 -1.587 29.234 1.00 30.97 C +ATOM 56 CD2 LEU A 6 -1.148 -0.036 29.035 1.00 24.03 C +ATOM 57 N LYS A 7 3.467 3.044 29.888 1.00 14.04 N +ATOM 58 CA LYS A 7 4.378 4.160 29.606 1.00 15.39 C +ATOM 59 C LYS A 7 5.825 3.712 29.738 1.00 14.09 C +ATOM 60 O LYS A 7 6.646 4.053 28.881 1.00 13.81 O +ATOM 61 CB LYS A 7 4.099 5.326 30.550 1.00 16.84 C +ATOM 62 CG LYS A 7 5.061 6.486 30.400 1.00 21.86 C +ATOM 63 CD LYS A 7 4.518 7.766 31.026 1.00 23.35 C +ATOM 64 CE LYS A 7 5.442 8.949 30.774 1.00 30.06 C +ATOM 65 NZ LYS A 7 6.548 9.042 31.776 1.00 32.57 N +ATOM 66 N GLY A 8 6.132 2.930 30.765 1.00 12.78 N +ATOM 67 CA GLY A 8 7.493 2.434 30.988 1.00 12.27 C +ATOM 68 C GLY A 8 7.920 1.498 29.838 1.00 14.06 C +ATOM 69 O GLY A 8 9.053 1.619 29.354 1.00 14.05 O +ATOM 70 N ILE A 9 6.984 0.675 29.368 1.00 11.03 N +ATOM 71 CA ILE A 9 7.320 -0.195 28.220 1.00 11.46 C +ATOM 72 C ILE A 9 7.610 0.616 26.963 1.00 13.30 C +ATOM 73 O ILE A 9 8.672 0.432 26.340 1.00 13.77 O +ATOM 74 CB ILE A 9 6.114 -1.140 27.991 1.00 9.34 C +ATOM 75 CG1 ILE A 9 6.133 -2.226 29.067 1.00 13.41 C +ATOM 76 CG2 ILE A 9 6.132 -1.707 26.565 1.00 13.47 C +ATOM 77 CD1 ILE A 9 4.774 -2.944 29.126 1.00 16.70 C +ATOM 78 N PHE A 10 6.798 1.642 26.687 1.00 12.91 N +ATOM 79 CA PHE A 10 7.022 2.506 25.547 1.00 11.22 C +ATOM 80 C PHE A 10 8.424 3.132 25.680 1.00 11.42 C +ATOM 81 O PHE A 10 9.203 3.141 24.711 1.00 12.93 O +ATOM 82 CB PHE A 10 5.974 3.638 25.452 1.00 10.03 C +ATOM 83 CG PHE A 10 6.315 4.626 24.349 1.00 12.64 C +ATOM 84 CD1 PHE A 10 5.903 4.333 23.060 1.00 9.18 C +ATOM 85 CD2 PHE A 10 7.001 5.799 24.585 1.00 14.64 C +ATOM 86 CE1 PHE A 10 6.180 5.163 22.003 1.00 9.47 C +ATOM 87 CE2 PHE A 10 7.288 6.662 23.526 1.00 14.07 C +ATOM 88 CZ PHE A 10 6.893 6.340 22.240 1.00 10.84 C +ATOM 89 N GLU A 11 8.714 3.733 26.831 1.00 11.73 N +ATOM 90 CA GLU A 11 9.995 4.405 26.996 1.00 11.49 C +ATOM 91 C GLU A 11 11.180 3.456 26.923 1.00 13.64 C +ATOM 92 O GLU A 11 12.205 3.867 26.360 1.00 14.48 O +ATOM 93 CB GLU A 11 10.013 5.198 28.328 1.00 10.31 C +ATOM 94 CG GLU A 11 8.997 6.333 28.163 1.00 13.41 C +ATOM 95 CD GLU A 11 8.989 7.481 29.124 1.00 29.33 C +ATOM 96 OE1 GLU A 11 8.993 7.219 30.318 1.00 23.63 O +ATOM 97 OE2 GLU A 11 8.956 8.665 28.719 1.00 37.58 O +ATOM 98 N LYS A 12 11.045 2.275 27.491 1.00 10.57 N +ATOM 99 CA LYS A 12 12.174 1.317 27.401 1.00 12.13 C +ATOM 100 C LYS A 12 12.559 0.995 25.963 1.00 14.22 C +ATOM 101 O LYS A 12 13.728 1.104 25.559 1.00 14.35 O +ATOM 102 CB LYS A 12 11.763 0.011 28.123 1.00 14.22 C +ATOM 103 CG LYS A 12 12.760 -1.113 27.882 1.00 12.90 C +ATOM 104 CD LYS A 12 12.297 -2.402 28.581 1.00 17.55 C +ATOM 105 CE LYS A 12 13.112 -3.599 28.065 1.00 25.73 C +ATOM 106 NZ LYS A 12 14.541 -3.409 28.459 1.00 31.91 N +ATOM 107 N TYR A 13 11.568 0.640 25.142 1.00 11.31 N +ATOM 108 CA TYR A 13 11.861 0.255 23.745 1.00 10.80 C +ATOM 109 C TYR A 13 12.120 1.465 22.862 1.00 11.55 C +ATOM 110 O TYR A 13 13.013 1.362 22.000 1.00 11.54 O +ATOM 111 CB TYR A 13 10.744 -0.646 23.177 1.00 11.34 C +ATOM 112 CG TYR A 13 10.708 -1.973 23.933 1.00 14.86 C +ATOM 113 CD1 TYR A 13 11.565 -2.986 23.523 1.00 17.58 C +ATOM 114 CD2 TYR A 13 9.881 -2.202 25.019 1.00 14.21 C +ATOM 115 CE1 TYR A 13 11.572 -4.202 24.193 1.00 17.75 C +ATOM 116 CE2 TYR A 13 9.894 -3.416 25.707 1.00 16.30 C +ATOM 117 CZ TYR A 13 10.749 -4.405 25.266 1.00 21.78 C +ATOM 118 OH TYR A 13 10.811 -5.628 25.910 1.00 24.75 O +ATOM 119 N ALA A 14 11.509 2.622 23.089 1.00 11.25 N +ATOM 120 CA ALA A 14 11.816 3.803 22.261 1.00 10.12 C +ATOM 121 C ALA A 14 13.256 4.284 22.385 1.00 11.44 C +ATOM 122 O ALA A 14 13.811 4.883 21.443 1.00 11.87 O +ATOM 123 CB ALA A 14 10.913 4.977 22.680 1.00 10.59 C +ATOM 124 N ALA A 15 13.849 4.110 23.574 1.00 13.46 N +ATOM 125 CA ALA A 15 15.237 4.525 23.829 1.00 13.16 C +ATOM 126 C ALA A 15 16.302 3.661 23.211 1.00 13.63 C +ATOM 127 O ALA A 15 17.489 4.058 23.240 1.00 17.35 O +ATOM 128 CB ALA A 15 15.442 4.519 25.372 1.00 14.32 C +ATOM 129 N LYS A 16 16.033 2.490 22.671 1.00 13.71 N +ATOM 130 CA LYS A 16 17.101 1.615 22.194 1.00 15.21 C +ATOM 131 C LYS A 16 17.865 2.160 20.997 1.00 18.51 C +ATOM 132 O LYS A 16 19.099 1.962 20.955 1.00 15.62 O +ATOM 133 CB LYS A 16 16.538 0.225 21.843 1.00 15.84 C +ATOM 134 CG LYS A 16 15.992 -0.416 23.122 1.00 23.94 C +ATOM 135 CD LYS A 16 15.639 -1.867 22.904 1.00 22.52 C +ATOM 136 CE LYS A 16 15.312 -2.615 24.177 1.00 25.55 C +ATOM 137 NZ LYS A 16 16.513 -3.135 24.898 1.00 25.42 N +ATOM 138 N GLU A 17 17.191 2.678 19.991 1.00 15.30 N +ATOM 139 CA GLU A 17 17.848 3.129 18.761 1.00 13.19 C +ATOM 140 C GLU A 17 17.396 4.547 18.389 1.00 16.78 C +ATOM 141 O GLU A 17 16.302 5.065 18.662 1.00 12.40 O +ATOM 142 CB GLU A 17 17.495 2.167 17.622 1.00 19.21 C +ATOM 143 CG GLU A 17 18.172 0.807 17.719 1.00 34.87 C +ATOM 144 CD GLU A 17 17.615 -0.199 16.737 1.00 46.13 C +ATOM 145 OE1 GLU A 17 17.649 0.076 15.517 1.00 52.90 O +ATOM 146 OE2 GLU A 17 17.131 -1.268 17.179 1.00 51.95 O +ATOM 147 N GLY A 18 18.281 5.212 17.643 1.00 12.79 N +ATOM 148 CA GLY A 18 17.906 6.496 17.023 1.00 15.12 C +ATOM 149 C GLY A 18 17.331 7.486 18.021 1.00 14.80 C +ATOM 150 O GLY A 18 17.848 7.728 19.111 1.00 21.64 O +ATOM 151 N ASP A 19 16.285 8.181 17.628 1.00 11.60 N +ATOM 152 CA ASP A 19 15.572 9.104 18.514 1.00 14.49 C +ATOM 153 C ASP A 19 15.116 8.316 19.743 1.00 15.84 C +ATOM 154 O ASP A 19 14.318 7.357 19.665 1.00 10.91 O +ATOM 155 CB ASP A 19 14.418 9.692 17.740 1.00 18.12 C +ATOM 156 CG ASP A 19 13.536 10.678 18.480 1.00 19.79 C +ATOM 157 OD1 ASP A 19 13.558 10.719 19.720 1.00 20.62 O +ATOM 158 OD2 ASP A 19 12.765 11.421 17.812 1.00 26.17 O +ATOM 159 N PRO A 20 15.579 8.702 20.930 1.00 15.11 N +ATOM 160 CA PRO A 20 15.307 7.951 22.135 1.00 17.26 C +ATOM 161 C PRO A 20 13.921 8.163 22.700 1.00 17.16 C +ATOM 162 O PRO A 20 13.512 7.381 23.576 1.00 20.55 O +ATOM 163 CB PRO A 20 16.362 8.477 23.127 1.00 18.99 C +ATOM 164 CG PRO A 20 16.626 9.877 22.683 1.00 21.38 C +ATOM 165 CD PRO A 20 16.336 9.958 21.193 1.00 18.17 C +ATOM 166 N ASN A 21 13.151 9.105 22.204 1.00 13.97 N +ATOM 167 CA ASN A 21 11.791 9.339 22.632 1.00 17.58 C +ATOM 168 C ASN A 21 10.727 8.804 21.697 1.00 16.58 C +ATOM 169 O ASN A 21 9.529 9.041 21.950 1.00 18.50 O +ATOM 170 CB ASN A 21 11.547 10.871 22.727 1.00 25.44 C +ATOM 171 CG ASN A 21 12.397 11.469 23.845 1.00 32.74 C +ATOM 172 OD1 ASN A 21 12.408 10.922 24.948 1.00 41.78 O +ATOM 173 ND2 ASN A 21 13.077 12.562 23.553 1.00 36.41 N +ATOM 174 N ASN A 22 11.075 8.241 20.531 1.00 11.39 N +ATOM 175 CA ASN A 22 10.062 7.721 19.636 1.00 13.99 C +ATOM 176 C ASN A 22 10.451 6.306 19.162 1.00 12.03 C +ATOM 177 O ASN A 22 11.625 5.960 19.215 1.00 13.04 O +ATOM 178 CB ASN A 22 9.856 8.610 18.394 1.00 15.47 C +ATOM 179 CG ASN A 22 9.295 9.976 18.766 1.00 23.85 C +ATOM 180 OD1 ASN A 22 8.140 10.106 19.186 1.00 25.32 O +ATOM 181 ND2 ASN A 22 10.096 11.026 18.666 1.00 26.88 N +ATOM 182 N LEU A 23 9.414 5.536 18.796 1.00 12.75 N +ATOM 183 CA LEU A 23 9.618 4.125 18.498 1.00 9.09 C +ATOM 184 C LEU A 23 9.760 3.911 16.976 1.00 10.81 C +ATOM 185 O LEU A 23 8.871 4.328 16.241 1.00 13.12 O +ATOM 186 CB LEU A 23 8.310 3.388 18.849 1.00 13.32 C +ATOM 187 CG LEU A 23 8.080 2.769 20.199 1.00 20.56 C +ATOM 188 CD1 LEU A 23 6.705 2.067 20.222 1.00 16.51 C +ATOM 189 CD2 LEU A 23 9.181 1.806 20.601 1.00 15.72 C +ATOM 190 N SER A 24 10.813 3.277 16.531 1.00 11.61 N +ATOM 191 CA SER A 24 10.912 2.953 15.094 1.00 13.29 C +ATOM 192 C SER A 24 10.123 1.660 14.850 1.00 14.58 C +ATOM 193 O SER A 24 9.804 1.006 15.839 1.00 11.39 O +ATOM 194 CB SER A 24 12.372 2.730 14.802 1.00 10.69 C +ATOM 195 OG SER A 24 12.864 1.574 15.482 1.00 14.73 O +ATOM 196 N LYS A 25 10.083 1.235 13.587 1.00 11.22 N +ATOM 197 CA LYS A 25 9.388 -0.062 13.374 1.00 10.70 C +ATOM 198 C LYS A 25 10.187 -1.203 13.960 1.00 13.17 C +ATOM 199 O LYS A 25 9.568 -2.129 14.502 1.00 13.50 O +ATOM 200 CB LYS A 25 9.244 -0.225 11.836 1.00 11.06 C +ATOM 201 CG LYS A 25 8.528 -1.581 11.571 1.00 14.41 C +ATOM 202 CD LYS A 25 8.411 -1.811 10.067 1.00 23.00 C +ATOM 203 CE LYS A 25 7.495 -0.816 9.379 1.00 29.91 C +ATOM 204 NZ LYS A 25 7.274 -1.191 7.944 1.00 27.85 N +ATOM 205 N GLU A 26 11.521 -1.133 13.924 1.00 13.09 N +ATOM 206 CA GLU A 26 12.297 -2.203 14.546 1.00 16.54 C +ATOM 207 C GLU A 26 12.157 -2.252 16.055 1.00 13.34 C +ATOM 208 O GLU A 26 12.028 -3.316 16.670 1.00 13.49 O +ATOM 209 CB GLU A 26 13.778 -2.022 14.189 1.00 18.66 C +ATOM 210 CG GLU A 26 14.066 -2.325 12.725 1.00 30.96 C +ATOM 211 CD GLU A 26 14.506 -3.755 12.483 1.00 45.86 C +ATOM 212 OE1 GLU A 26 13.690 -4.690 12.584 1.00 45.72 O +ATOM 213 OE2 GLU A 26 15.711 -3.951 12.185 1.00 54.73 O +ATOM 214 N GLU A 27 12.033 -1.092 16.680 1.00 11.40 N +ATOM 215 CA GLU A 27 11.734 -1.104 18.124 1.00 10.73 C +ATOM 216 C GLU A 27 10.309 -1.572 18.429 1.00 11.09 C +ATOM 217 O GLU A 27 10.147 -2.233 19.461 1.00 12.33 O +ATOM 218 CB GLU A 27 11.910 0.318 18.689 1.00 11.79 C +ATOM 219 CG GLU A 27 13.349 0.797 18.720 1.00 12.72 C +ATOM 220 CD GLU A 27 13.493 2.302 18.955 1.00 14.21 C +ATOM 221 OE1 GLU A 27 14.582 2.703 19.421 1.00 14.87 O +ATOM 222 OE2 GLU A 27 12.536 3.069 18.699 1.00 12.68 O +ATOM 223 N LEU A 28 9.354 -1.276 17.595 1.00 10.77 N +ATOM 224 CA LEU A 28 7.971 -1.732 17.821 1.00 10.28 C +ATOM 225 C LEU A 28 7.917 -3.260 17.710 1.00 14.59 C +ATOM 226 O LEU A 28 7.233 -3.920 18.505 1.00 9.93 O +ATOM 227 CB LEU A 28 7.005 -1.096 16.832 1.00 11.84 C +ATOM 228 CG LEU A 28 5.543 -1.591 16.961 1.00 14.07 C +ATOM 229 CD1 LEU A 28 4.913 -1.140 18.237 1.00 14.36 C +ATOM 230 CD2 LEU A 28 4.745 -1.073 15.759 1.00 18.09 C +ATOM 231 N LYS A 29 8.665 -3.804 16.774 1.00 11.85 N +ATOM 232 CA LYS A 29 8.746 -5.252 16.617 1.00 13.19 C +ATOM 233 C LYS A 29 9.240 -5.931 17.885 1.00 15.00 C +ATOM 234 O LYS A 29 8.640 -6.877 18.409 1.00 16.60 O +ATOM 235 CB LYS A 29 9.665 -5.587 15.433 1.00 20.31 C +ATOM 236 CG LYS A 29 9.788 -7.115 15.278 1.00 20.97 C +ATOM 237 CD LYS A 29 10.569 -7.378 13.982 1.00 25.77 C +ATOM 238 CE LYS A 29 10.665 -8.870 13.699 1.00 32.92 C +ATOM 239 NZ LYS A 29 11.659 -9.165 12.618 1.00 39.23 N +ATOM 240 N LEU A 30 10.306 -5.421 18.479 1.00 12.12 N +ATOM 241 CA LEU A 30 10.867 -5.953 19.708 1.00 15.37 C +ATOM 242 C LEU A 30 9.921 -5.808 20.893 1.00 16.10 C +ATOM 243 O LEU A 30 9.910 -6.675 21.771 1.00 17.09 O +ATOM 244 CB LEU A 30 12.167 -5.212 20.093 1.00 15.94 C +ATOM 245 CG LEU A 30 13.366 -5.482 19.179 1.00 28.16 C +ATOM 246 CD1 LEU A 30 14.581 -4.719 19.707 1.00 34.68 C +ATOM 247 CD2 LEU A 30 13.646 -6.982 19.163 1.00 28.66 C +ATOM 248 N LEU A 31 9.267 -4.647 20.972 1.00 12.71 N +ATOM 249 CA LEU A 31 8.289 -4.435 22.044 1.00 10.31 C +ATOM 250 C LEU A 31 7.197 -5.491 21.948 1.00 13.39 C +ATOM 251 O LEU A 31 6.867 -6.114 22.966 1.00 14.82 O +ATOM 252 CB LEU A 31 7.742 -3.019 21.914 1.00 10.78 C +ATOM 253 CG LEU A 31 6.787 -2.476 22.970 1.00 13.75 C +ATOM 254 CD1 LEU A 31 6.748 -0.945 22.858 1.00 14.94 C +ATOM 255 CD2 LEU A 31 5.406 -3.048 22.775 1.00 14.35 C +ATOM 256 N LEU A 32 6.588 -5.635 20.776 1.00 13.16 N +ATOM 257 CA LEU A 32 5.505 -6.621 20.650 1.00 13.56 C +ATOM 258 C LEU A 32 5.948 -8.060 20.861 1.00 16.14 C +ATOM 259 O LEU A 32 5.304 -8.799 21.608 1.00 16.96 O +ATOM 260 CB LEU A 32 4.919 -6.560 19.232 1.00 11.66 C +ATOM 261 CG LEU A 32 4.183 -5.249 18.924 1.00 16.21 C +ATOM 262 CD1 LEU A 32 3.749 -5.245 17.469 1.00 20.41 C +ATOM 263 CD2 LEU A 32 3.000 -5.087 19.887 1.00 24.92 C +ATOM 264 N GLN A 33 7.037 -8.473 20.257 1.00 17.13 N +ATOM 265 CA GLN A 33 7.528 -9.851 20.470 1.00 20.35 C +ATOM 266 C GLN A 33 7.820 -10.134 21.943 1.00 19.47 C +ATOM 267 O GLN A 33 7.599 -11.272 22.391 1.00 21.66 O +ATOM 268 CB GLN A 33 8.789 -10.112 19.652 1.00 20.62 C +ATOM 269 CG GLN A 33 8.622 -10.438 18.202 1.00 34.18 C +ATOM 270 CD GLN A 33 9.923 -10.423 17.407 1.00 35.27 C +ATOM 271 OE1 GLN A 33 10.982 -9.974 17.853 1.00 39.39 O +ATOM 272 NE2 GLN A 33 9.808 -10.930 16.181 1.00 37.66 N +ATOM 273 N THR A 34 8.328 -9.162 22.696 1.00 14.62 N +ATOM 274 CA THR A 34 8.625 -9.368 24.095 1.00 19.81 C +ATOM 275 C THR A 34 7.429 -9.291 25.031 1.00 20.83 C +ATOM 276 O THR A 34 7.214 -10.160 25.890 1.00 19.59 O +ATOM 277 CB THR A 34 9.728 -8.408 24.601 1.00 23.15 C +ATOM 278 OG1 THR A 34 10.841 -8.419 23.699 1.00 22.32 O +ATOM 279 CG2 THR A 34 10.237 -8.884 25.962 1.00 27.88 C +ATOM 280 N GLU A 35 6.655 -8.222 24.969 1.00 15.88 N +ATOM 281 CA GLU A 35 5.633 -7.901 25.927 1.00 19.86 C +ATOM 282 C GLU A 35 4.250 -8.412 25.538 1.00 19.78 C +ATOM 283 O GLU A 35 3.422 -8.679 26.421 1.00 18.92 O +ATOM 284 CB GLU A 35 5.575 -6.403 26.175 1.00 14.98 C +ATOM 285 CG GLU A 35 6.862 -5.722 26.607 1.00 18.33 C +ATOM 286 CD GLU A 35 7.139 -5.840 28.106 1.00 26.56 C +ATOM 287 OE1 GLU A 35 6.300 -6.391 28.815 1.00 29.09 O +ATOM 288 OE2 GLU A 35 8.226 -5.377 28.513 1.00 32.54 O +ATOM 289 N PHE A 36 3.890 -8.428 24.264 1.00 17.20 N +ATOM 290 CA PHE A 36 2.573 -8.841 23.788 1.00 16.86 C +ATOM 291 C PHE A 36 2.644 -9.802 22.612 1.00 14.85 C +ATOM 292 O PHE A 36 2.200 -9.568 21.493 1.00 14.51 O +ATOM 293 CB PHE A 36 1.803 -7.569 23.336 1.00 13.71 C +ATOM 294 CG PHE A 36 1.698 -6.555 24.461 1.00 16.41 C +ATOM 295 CD1 PHE A 36 2.463 -5.386 24.360 1.00 18.01 C +ATOM 296 CD2 PHE A 36 0.935 -6.755 25.579 1.00 21.28 C +ATOM 297 CE1 PHE A 36 2.430 -4.448 25.368 1.00 21.49 C +ATOM 298 CE2 PHE A 36 0.903 -5.807 26.598 1.00 24.85 C +ATOM 299 CZ PHE A 36 1.656 -4.644 26.494 1.00 22.81 C +ATOM 300 N PRO A 37 3.318 -10.950 22.762 1.00 18.95 N +ATOM 301 CA PRO A 37 3.650 -11.832 21.669 1.00 20.53 C +ATOM 302 C PRO A 37 2.476 -12.396 20.882 1.00 19.89 C +ATOM 303 O PRO A 37 2.733 -12.783 19.749 1.00 21.75 O +ATOM 304 CB PRO A 37 4.474 -12.951 22.309 1.00 22.32 C +ATOM 305 CG PRO A 37 4.025 -12.956 23.719 1.00 25.23 C +ATOM 306 CD PRO A 37 3.760 -11.512 24.065 1.00 21.53 C +ATOM 307 N SER A 38 1.283 -12.540 21.456 1.00 19.24 N +ATOM 308 CA SER A 38 0.182 -13.083 20.678 1.00 18.89 C +ATOM 309 C SER A 38 -0.538 -12.015 19.881 1.00 19.22 C +ATOM 310 O SER A 38 -1.292 -12.372 18.983 1.00 20.45 O +ATOM 311 CB SER A 38 -0.808 -13.848 21.586 1.00 26.96 C +ATOM 312 OG SER A 38 -0.132 -15.015 22.075 1.00 28.14 O +ATOM 313 N LEU A 39 -0.310 -10.738 20.168 1.00 20.12 N +ATOM 314 CA LEU A 39 -1.030 -9.662 19.523 1.00 19.96 C +ATOM 315 C LEU A 39 -0.904 -9.651 18.011 1.00 18.84 C +ATOM 316 O LEU A 39 -1.930 -9.699 17.332 1.00 20.92 O +ATOM 317 CB LEU A 39 -0.541 -8.299 20.073 1.00 25.24 C +ATOM 318 CG LEU A 39 -1.622 -7.239 20.296 1.00 36.21 C +ATOM 319 CD1 LEU A 39 -1.003 -5.845 20.324 1.00 35.79 C +ATOM 320 CD2 LEU A 39 -2.750 -7.288 19.278 1.00 39.13 C +ATOM 321 N LEU A 40 0.297 -9.669 17.435 1.00 21.04 N +ATOM 322 CA LEU A 40 0.433 -9.742 15.995 1.00 22.00 C +ATOM 323 C LEU A 40 -0.105 -11.073 15.461 1.00 25.36 C +ATOM 324 O LEU A 40 -0.762 -11.035 14.443 1.00 25.27 O +ATOM 325 CB LEU A 40 1.855 -9.617 15.464 1.00 24.71 C +ATOM 326 CG LEU A 40 2.487 -8.231 15.474 1.00 32.92 C +ATOM 327 CD1 LEU A 40 3.992 -8.403 15.314 1.00 27.17 C +ATOM 328 CD2 LEU A 40 1.883 -7.335 14.402 1.00 30.13 C +ATOM 329 N LYS A 41 0.071 -12.154 16.212 1.00 25.74 N +ATOM 330 CA LYS A 41 -0.413 -13.450 15.717 1.00 27.51 C +ATOM 331 C LYS A 41 -1.922 -13.439 15.510 1.00 25.61 C +ATOM 332 O LYS A 41 -2.424 -14.141 14.621 1.00 30.79 O +ATOM 333 CB LYS A 41 0.006 -14.572 16.657 1.00 29.63 C +ATOM 334 CG LYS A 41 1.429 -15.081 16.606 1.00 41.67 C +ATOM 335 CD LYS A 41 1.522 -16.502 17.188 1.00 50.57 C +ATOM 336 CE LYS A 41 0.952 -17.531 16.225 1.00 55.04 C +ATOM 337 NZ LYS A 41 0.881 -18.924 16.744 1.00 56.39 N +ATOM 338 N GLY A 42 -2.690 -12.774 16.329 1.00 22.87 N +ATOM 339 CA GLY A 42 -4.127 -12.697 16.289 1.00 22.44 C +ATOM 340 C GLY A 42 -4.679 -11.671 15.306 1.00 26.75 C +ATOM 341 O GLY A 42 -5.889 -11.624 15.083 1.00 24.76 O +ATOM 342 N MET A 43 -3.849 -10.767 14.785 1.00 24.48 N +ATOM 343 CA MET A 43 -4.379 -9.689 13.951 1.00 23.91 C +ATOM 344 C MET A 43 -4.494 -10.135 12.499 1.00 24.53 C +ATOM 345 O MET A 43 -3.621 -10.900 12.087 1.00 20.84 O +ATOM 346 CB MET A 43 -3.413 -8.506 13.948 1.00 21.83 C +ATOM 347 CG MET A 43 -3.367 -7.667 15.192 1.00 35.85 C +ATOM 348 SD MET A 43 -2.272 -6.243 14.882 1.00 31.61 S +ATOM 349 CE MET A 43 -3.012 -5.139 16.097 1.00 31.71 C +ATOM 350 N SER A 44 -5.462 -9.591 11.736 1.00 25.93 N +ATOM 351 CA SER A 44 -5.352 -9.919 10.299 1.00 26.09 C +ATOM 352 C SER A 44 -4.998 -8.646 9.526 1.00 23.20 C +ATOM 353 O SER A 44 -5.247 -7.545 9.990 1.00 26.05 O +ATOM 354 CB SER A 44 -6.557 -10.598 9.694 1.00 32.44 C +ATOM 355 OG SER A 44 -7.566 -9.677 9.319 1.00 30.29 O +ATOM 356 N THR A 45 -4.410 -8.853 8.365 1.00 24.14 N +ATOM 357 CA THR A 45 -3.959 -7.723 7.540 1.00 22.29 C +ATOM 358 C THR A 45 -5.158 -6.899 7.101 1.00 21.81 C +ATOM 359 O THR A 45 -5.092 -5.666 7.112 1.00 23.32 O +ATOM 360 CB THR A 45 -3.128 -8.258 6.368 1.00 25.24 C +ATOM 361 OG1 THR A 45 -1.961 -8.822 7.033 1.00 34.87 O +ATOM 362 CG2 THR A 45 -2.650 -7.176 5.434 1.00 25.04 C +ATOM 363 N LEU A 46 -6.221 -7.599 6.738 1.00 23.12 N +ATOM 364 CA LEU A 46 -7.451 -6.912 6.299 1.00 21.94 C +ATOM 365 C LEU A 46 -8.004 -6.036 7.399 1.00 20.78 C +ATOM 366 O LEU A 46 -8.398 -4.867 7.209 1.00 19.80 O +ATOM 367 CB LEU A 46 -8.442 -7.970 5.837 1.00 26.26 C +ATOM 368 CG LEU A 46 -9.835 -7.551 5.383 1.00 31.82 C +ATOM 369 CD1 LEU A 46 -9.783 -6.610 4.189 1.00 29.59 C +ATOM 370 CD2 LEU A 46 -10.614 -8.807 4.989 1.00 35.99 C +ATOM 371 N ASP A 47 -8.075 -6.569 8.623 1.00 22.13 N +ATOM 372 CA ASP A 47 -8.594 -5.813 9.765 1.00 21.25 C +ATOM 373 C ASP A 47 -7.794 -4.554 10.025 1.00 19.90 C +ATOM 374 O ASP A 47 -8.332 -3.462 10.156 1.00 18.68 O +ATOM 375 CB ASP A 47 -8.555 -6.678 11.038 1.00 28.62 C +ATOM 376 CG ASP A 47 -9.682 -7.682 11.123 1.00 39.92 C +ATOM 377 OD1 ASP A 47 -10.724 -7.562 10.438 1.00 45.93 O +ATOM 378 OD2 ASP A 47 -9.554 -8.654 11.896 1.00 45.88 O +ATOM 379 N GLU A 48 -6.451 -4.672 9.974 1.00 18.54 N +ATOM 380 CA GLU A 48 -5.623 -3.476 10.164 1.00 17.48 C +ATOM 381 C GLU A 48 -5.651 -2.516 9.006 1.00 16.57 C +ATOM 382 O GLU A 48 -5.556 -1.311 9.222 1.00 17.22 O +ATOM 383 CB GLU A 48 -4.186 -3.927 10.490 1.00 23.78 C +ATOM 384 CG GLU A 48 -4.212 -4.824 11.727 1.00 30.34 C +ATOM 385 CD GLU A 48 -4.887 -4.219 12.946 1.00 37.64 C +ATOM 386 OE1 GLU A 48 -4.596 -3.050 13.254 1.00 28.13 O +ATOM 387 OE2 GLU A 48 -5.720 -4.883 13.622 1.00 39.16 O +ATOM 388 N LEU A 49 -5.762 -3.022 7.784 1.00 16.54 N +ATOM 389 CA LEU A 49 -5.951 -2.109 6.647 1.00 15.28 C +ATOM 390 C LEU A 49 -7.258 -1.342 6.801 1.00 17.63 C +ATOM 391 O LEU A 49 -7.224 -0.129 6.573 1.00 16.27 O +ATOM 392 CB LEU A 49 -5.900 -2.927 5.360 1.00 16.67 C +ATOM 393 CG LEU A 49 -6.287 -2.131 4.095 1.00 16.45 C +ATOM 394 CD1 LEU A 49 -5.182 -1.122 3.856 1.00 18.12 C +ATOM 395 CD2 LEU A 49 -6.514 -3.049 2.915 1.00 17.25 C +ATOM 396 N PHE A 50 -8.324 -2.017 7.206 1.00 16.06 N +ATOM 397 CA PHE A 50 -9.585 -1.322 7.455 1.00 15.35 C +ATOM 398 C PHE A 50 -9.481 -0.237 8.509 1.00 17.97 C +ATOM 399 O PHE A 50 -9.843 0.920 8.282 1.00 16.45 O +ATOM 400 CB PHE A 50 -10.688 -2.321 7.807 1.00 15.87 C +ATOM 401 CG PHE A 50 -12.065 -1.668 7.755 1.00 16.80 C +ATOM 402 CD1 PHE A 50 -12.619 -1.181 8.915 1.00 22.91 C +ATOM 403 CD2 PHE A 50 -12.728 -1.532 6.545 1.00 19.34 C +ATOM 404 CE1 PHE A 50 -13.872 -0.562 8.880 1.00 21.65 C +ATOM 405 CE2 PHE A 50 -13.973 -0.925 6.506 1.00 18.05 C +ATOM 406 CZ PHE A 50 -14.532 -0.443 7.675 1.00 18.53 C +ATOM 407 N GLU A 51 -8.812 -0.573 9.593 1.00 19.63 N +ATOM 408 CA GLU A 51 -8.596 0.416 10.649 1.00 17.86 C +ATOM 409 C GLU A 51 -7.718 1.551 10.192 1.00 17.81 C +ATOM 410 O GLU A 51 -7.962 2.690 10.615 1.00 22.82 O +ATOM 411 CB GLU A 51 -7.977 -0.345 11.840 1.00 23.17 C +ATOM 412 CG GLU A 51 -9.019 -1.142 12.605 1.00 26.92 C +ATOM 413 CD GLU A 51 -9.308 -0.426 13.923 1.00 42.16 C +ATOM 414 OE1 GLU A 51 -10.068 0.564 13.886 1.00 39.42 O +ATOM 415 OE2 GLU A 51 -8.744 -0.859 14.952 1.00 43.53 O +ATOM 416 N GLU A 52 -6.684 1.319 9.373 1.00 15.41 N +ATOM 417 CA GLU A 52 -5.893 2.403 8.833 1.00 15.07 C +ATOM 418 C GLU A 52 -6.757 3.352 8.007 1.00 18.14 C +ATOM 419 O GLU A 52 -6.585 4.565 8.097 1.00 22.57 O +ATOM 420 CB GLU A 52 -4.765 1.872 7.911 1.00 17.78 C +ATOM 421 CG GLU A 52 -3.905 2.971 7.339 1.00 27.56 C +ATOM 422 CD GLU A 52 -3.017 2.732 6.159 1.00 33.11 C +ATOM 423 OE1 GLU A 52 -2.509 3.741 5.586 1.00 36.37 O +ATOM 424 OE2 GLU A 52 -2.764 1.594 5.714 1.00 26.06 O +ATOM 425 N LEU A 53 -7.682 2.847 7.189 1.00 15.77 N +ATOM 426 CA LEU A 53 -8.451 3.705 6.317 1.00 14.79 C +ATOM 427 C LEU A 53 -9.599 4.412 7.058 1.00 14.55 C +ATOM 428 O LEU A 53 -9.905 5.563 6.722 1.00 15.92 O +ATOM 429 CB LEU A 53 -9.082 2.864 5.171 1.00 16.11 C +ATOM 430 CG LEU A 53 -8.019 2.201 4.265 1.00 16.33 C +ATOM 431 CD1 LEU A 53 -8.742 1.319 3.240 1.00 20.00 C +ATOM 432 CD2 LEU A 53 -7.237 3.282 3.559 1.00 19.35 C +ATOM 433 N ASP A 54 -10.193 3.735 8.008 1.00 13.30 N +ATOM 434 CA ASP A 54 -11.355 4.242 8.761 1.00 14.11 C +ATOM 435 C ASP A 54 -10.880 5.226 9.849 1.00 16.65 C +ATOM 436 O ASP A 54 -10.872 4.954 11.043 1.00 17.08 O +ATOM 437 CB ASP A 54 -12.126 3.114 9.413 1.00 16.97 C +ATOM 438 CG ASP A 54 -13.402 3.577 10.112 1.00 19.67 C +ATOM 439 OD1 ASP A 54 -13.882 4.675 9.783 1.00 18.19 O +ATOM 440 OD2 ASP A 54 -13.900 2.832 10.976 1.00 15.43 O +ATOM 441 N LYS A 55 -10.557 6.443 9.405 1.00 16.98 N +ATOM 442 CA LYS A 55 -9.980 7.441 10.302 1.00 24.74 C +ATOM 443 C LYS A 55 -10.910 7.907 11.413 1.00 22.83 C +ATOM 444 O LYS A 55 -10.433 8.235 12.504 1.00 24.10 O +ATOM 445 CB LYS A 55 -9.492 8.664 9.513 1.00 24.56 C +ATOM 446 CG LYS A 55 -8.249 8.374 8.688 1.00 40.13 C +ATOM 447 CD LYS A 55 -7.597 9.642 8.167 1.00 47.28 C +ATOM 448 CE LYS A 55 -8.411 10.330 7.090 1.00 56.40 C +ATOM 449 NZ LYS A 55 -7.780 11.587 6.594 1.00 59.67 N +ATOM 450 N ASN A 56 -12.214 8.017 11.163 1.00 19.17 N +ATOM 451 CA ASN A 56 -13.131 8.509 12.190 1.00 18.16 C +ATOM 452 C ASN A 56 -13.769 7.399 13.015 1.00 20.23 C +ATOM 453 O ASN A 56 -14.644 7.635 13.865 1.00 21.41 O +ATOM 454 CB ASN A 56 -14.236 9.386 11.594 1.00 17.96 C +ATOM 455 CG ASN A 56 -15.158 8.690 10.638 1.00 27.00 C +ATOM 456 OD1 ASN A 56 -14.923 7.578 10.187 1.00 16.24 O +ATOM 457 ND2 ASN A 56 -16.261 9.373 10.349 1.00 32.33 N +ATOM 458 N GLY A 57 -13.372 6.167 12.750 1.00 18.43 N +ATOM 459 CA GLY A 57 -13.786 5.006 13.522 1.00 19.45 C +ATOM 460 C GLY A 57 -15.282 4.732 13.523 1.00 19.15 C +ATOM 461 O GLY A 57 -15.795 4.243 14.544 1.00 20.34 O +ATOM 462 N ASP A 58 -16.003 5.018 12.426 1.00 16.76 N +ATOM 463 CA ASP A 58 -17.423 4.691 12.377 1.00 18.01 C +ATOM 464 C ASP A 58 -17.696 3.329 11.742 1.00 16.34 C +ATOM 465 O ASP A 58 -18.839 2.931 11.497 1.00 17.15 O +ATOM 466 CB ASP A 58 -18.194 5.806 11.683 1.00 22.95 C +ATOM 467 CG ASP A 58 -17.832 6.065 10.230 1.00 24.92 C +ATOM 468 OD1 ASP A 58 -17.051 5.317 9.612 1.00 17.52 O +ATOM 469 OD2 ASP A 58 -18.365 7.053 9.676 1.00 19.65 O +ATOM 470 N GLY A 59 -16.627 2.618 11.408 1.00 14.59 N +ATOM 471 CA GLY A 59 -16.742 1.272 10.840 1.00 15.94 C +ATOM 472 C GLY A 59 -17.163 1.279 9.373 1.00 16.93 C +ATOM 473 O GLY A 59 -17.650 0.276 8.842 1.00 17.36 O +ATOM 474 N GLU A 60 -17.063 2.394 8.725 1.00 15.05 N +ATOM 475 CA GLU A 60 -17.336 2.613 7.305 1.00 17.47 C +ATOM 476 C GLU A 60 -16.182 3.402 6.676 1.00 18.86 C +ATOM 477 O GLU A 60 -15.602 4.289 7.301 1.00 20.63 O +ATOM 478 CB GLU A 60 -18.602 3.434 7.039 1.00 15.82 C +ATOM 479 CG GLU A 60 -19.881 2.849 7.601 1.00 18.97 C +ATOM 480 CD GLU A 60 -20.485 1.701 6.830 1.00 27.22 C +ATOM 481 OE1 GLU A 60 -21.293 0.890 7.366 1.00 23.19 O +ATOM 482 OE2 GLU A 60 -20.146 1.623 5.630 1.00 22.57 O +ATOM 483 N VAL A 61 -15.825 3.023 5.445 1.00 17.89 N +ATOM 484 CA VAL A 61 -14.736 3.765 4.764 1.00 16.26 C +ATOM 485 C VAL A 61 -15.384 4.632 3.697 1.00 15.87 C +ATOM 486 O VAL A 61 -16.029 4.123 2.766 1.00 15.74 O +ATOM 487 CB VAL A 61 -13.726 2.780 4.157 1.00 14.78 C +ATOM 488 CG1 VAL A 61 -12.805 3.421 3.121 1.00 18.22 C +ATOM 489 CG2 VAL A 61 -12.878 2.197 5.288 1.00 15.94 C +ATOM 490 N SER A 62 -15.218 5.947 3.824 1.00 15.08 N +ATOM 491 CA SER A 62 -15.832 6.814 2.808 1.00 17.88 C +ATOM 492 C SER A 62 -14.884 6.962 1.619 1.00 18.78 C +ATOM 493 O SER A 62 -13.745 6.486 1.621 1.00 15.72 O +ATOM 494 CB SER A 62 -16.033 8.218 3.400 1.00 23.87 C +ATOM 495 OG SER A 62 -14.719 8.663 3.754 1.00 21.10 O +ATOM 496 N PHE A 63 -15.390 7.590 0.538 1.00 16.96 N +ATOM 497 CA PHE A 63 -14.498 7.724 -0.631 1.00 18.94 C +ATOM 498 C PHE A 63 -13.232 8.495 -0.298 1.00 23.29 C +ATOM 499 O PHE A 63 -12.117 8.230 -0.775 1.00 18.89 O +ATOM 500 CB PHE A 63 -15.267 8.394 -1.761 1.00 20.45 C +ATOM 501 CG PHE A 63 -14.456 8.488 -3.024 1.00 27.21 C +ATOM 502 CD1 PHE A 63 -13.977 7.349 -3.642 1.00 24.88 C +ATOM 503 CD2 PHE A 63 -14.171 9.717 -3.593 1.00 35.08 C +ATOM 504 CE1 PHE A 63 -13.241 7.413 -4.814 1.00 33.38 C +ATOM 505 CE2 PHE A 63 -13.433 9.797 -4.761 1.00 36.59 C +ATOM 506 CZ PHE A 63 -12.968 8.646 -5.368 1.00 31.98 C +ATOM 507 N GLU A 64 -13.379 9.561 0.498 1.00 19.45 N +ATOM 508 CA GLU A 64 -12.233 10.359 0.923 1.00 20.26 C +ATOM 509 C GLU A 64 -11.258 9.545 1.780 1.00 16.56 C +ATOM 510 O GLU A 64 -10.046 9.643 1.596 1.00 19.13 O +ATOM 511 CB GLU A 64 -12.747 11.582 1.700 1.00 26.49 C +ATOM 512 CG GLU A 64 -14.163 11.338 2.218 1.00 45.24 C +ATOM 513 CD GLU A 64 -15.282 11.493 1.198 1.00 52.23 C +ATOM 514 OE1 GLU A 64 -15.370 12.539 0.514 1.00 58.41 O +ATOM 515 OE2 GLU A 64 -16.098 10.553 1.072 1.00 47.60 O +ATOM 516 N GLU A 65 -11.785 8.675 2.658 1.00 13.17 N +ATOM 517 CA GLU A 65 -10.908 7.755 3.381 1.00 14.64 C +ATOM 518 C GLU A 65 -10.216 6.760 2.458 1.00 16.02 C +ATOM 519 O GLU A 65 -9.020 6.444 2.621 1.00 17.28 O +ATOM 520 CB GLU A 65 -11.722 7.079 4.486 1.00 15.80 C +ATOM 521 CG GLU A 65 -12.050 8.018 5.674 1.00 11.61 C +ATOM 522 CD GLU A 65 -12.953 7.324 6.664 1.00 18.32 C +ATOM 523 OE1 GLU A 65 -12.981 7.630 7.898 1.00 16.84 O +ATOM 524 OE2 GLU A 65 -13.665 6.434 6.167 1.00 17.88 O +ATOM 525 N PHE A 66 -10.920 6.295 1.430 1.00 15.69 N +ATOM 526 CA PHE A 66 -10.429 5.299 0.487 1.00 17.54 C +ATOM 527 C PHE A 66 -9.266 5.805 -0.372 1.00 16.79 C +ATOM 528 O PHE A 66 -8.412 5.027 -0.813 1.00 16.88 O +ATOM 529 CB PHE A 66 -11.544 4.814 -0.425 1.00 15.45 C +ATOM 530 CG PHE A 66 -11.260 3.640 -1.322 1.00 17.71 C +ATOM 531 CD1 PHE A 66 -11.178 3.847 -2.691 1.00 16.23 C +ATOM 532 CD2 PHE A 66 -11.111 2.364 -0.835 1.00 19.06 C +ATOM 533 CE1 PHE A 66 -10.929 2.806 -3.564 1.00 13.49 C +ATOM 534 CE2 PHE A 66 -10.861 1.300 -1.718 1.00 20.26 C +ATOM 535 CZ PHE A 66 -10.776 1.515 -3.074 1.00 15.59 C +ATOM 536 N GLN A 67 -9.190 7.118 -0.568 1.00 19.64 N +ATOM 537 CA GLN A 67 -8.124 7.749 -1.346 1.00 19.21 C +ATOM 538 C GLN A 67 -6.716 7.442 -0.898 1.00 21.40 C +ATOM 539 O GLN A 67 -5.815 7.369 -1.715 1.00 21.53 O +ATOM 540 CB GLN A 67 -8.236 9.292 -1.274 1.00 26.90 C +ATOM 541 CG GLN A 67 -9.421 9.844 -2.058 1.00 32.83 C +ATOM 542 CD GLN A 67 -9.501 9.171 -3.416 1.00 34.78 C +ATOM 543 OE1 GLN A 67 -8.590 9.293 -4.235 1.00 40.21 O +ATOM 544 NE2 GLN A 67 -10.582 8.431 -3.609 1.00 35.76 N +ATOM 545 N VAL A 68 -6.491 7.236 0.406 1.00 20.38 N +ATOM 546 CA VAL A 68 -5.230 6.747 0.920 1.00 21.42 C +ATOM 547 C VAL A 68 -4.810 5.457 0.236 1.00 23.84 C +ATOM 548 O VAL A 68 -3.636 5.356 -0.150 1.00 22.44 O +ATOM 549 CB VAL A 68 -5.286 6.601 2.449 1.00 24.08 C +ATOM 550 CG1 VAL A 68 -4.003 5.979 2.983 1.00 32.20 C +ATOM 551 CG2 VAL A 68 -5.521 8.013 3.005 1.00 22.80 C +ATOM 552 N LEU A 69 -5.748 4.526 0.022 1.00 16.04 N +ATOM 553 CA LEU A 69 -5.381 3.304 -0.674 1.00 14.14 C +ATOM 554 C LEU A 69 -5.249 3.497 -2.173 1.00 17.56 C +ATOM 555 O LEU A 69 -4.380 2.855 -2.816 1.00 23.13 O +ATOM 556 CB LEU A 69 -6.436 2.226 -0.380 1.00 20.06 C +ATOM 557 CG LEU A 69 -6.241 0.874 -1.070 1.00 22.16 C +ATOM 558 CD1 LEU A 69 -4.969 0.213 -0.567 1.00 25.66 C +ATOM 559 CD2 LEU A 69 -7.447 -0.017 -0.811 1.00 26.32 C +ATOM 560 N VAL A 70 -6.018 4.420 -2.745 1.00 14.82 N +ATOM 561 CA VAL A 70 -5.933 4.675 -4.186 1.00 17.95 C +ATOM 562 C VAL A 70 -4.551 5.196 -4.548 1.00 21.29 C +ATOM 563 O VAL A 70 -3.963 4.716 -5.532 1.00 21.61 O +ATOM 564 CB VAL A 70 -7.021 5.647 -4.659 1.00 16.75 C +ATOM 565 CG1 VAL A 70 -6.778 6.141 -6.086 1.00 22.35 C +ATOM 566 CG2 VAL A 70 -8.396 4.980 -4.589 1.00 18.72 C +ATOM 567 N LYS A 71 -3.967 6.037 -3.679 1.00 24.47 N +ATOM 568 CA LYS A 71 -2.676 6.660 -3.997 1.00 29.92 C +ATOM 569 C LYS A 71 -1.523 5.678 -3.872 1.00 32.86 C +ATOM 570 O LYS A 71 -0.456 5.877 -4.457 1.00 32.43 O +ATOM 571 CB LYS A 71 -2.390 7.864 -3.085 1.00 33.20 C +ATOM 572 CG LYS A 71 -3.169 9.108 -3.465 1.00 42.85 C +ATOM 573 CD LYS A 71 -3.119 10.176 -2.381 1.00 48.05 C +ATOM 574 CE LYS A 71 -4.268 11.163 -2.510 1.00 53.31 C +ATOM 575 NZ LYS A 71 -4.391 12.056 -1.318 1.00 54.05 N +ATOM 576 N LYS A 72 -1.703 4.612 -3.112 1.00 32.03 N +ATOM 577 CA LYS A 72 -0.730 3.556 -2.917 1.00 33.83 C +ATOM 578 C LYS A 72 -0.685 2.548 -4.048 1.00 33.01 C +ATOM 579 O LYS A 72 0.285 1.787 -4.158 1.00 32.71 O +ATOM 580 CB LYS A 72 -1.095 2.888 -1.601 1.00 32.20 C +ATOM 581 CG LYS A 72 -0.408 1.664 -1.074 1.00 49.84 C +ATOM 582 CD LYS A 72 -0.600 1.641 0.455 1.00 54.11 C +ATOM 583 CE LYS A 72 0.461 0.793 1.136 1.00 62.05 C +ATOM 584 NZ LYS A 72 0.927 1.404 2.416 1.00 63.29 N +ATOM 585 N ILE A 73 -1.774 2.351 -4.797 1.00 29.88 N +ATOM 586 CA ILE A 73 -1.790 1.272 -5.766 1.00 29.51 C +ATOM 587 C ILE A 73 -2.039 1.795 -7.178 1.00 32.06 C +ATOM 588 O ILE A 73 -1.922 1.003 -8.109 1.00 32.80 O +ATOM 589 CB ILE A 73 -2.783 0.152 -5.433 1.00 31.35 C +ATOM 590 CG1 ILE A 73 -4.210 0.663 -5.616 1.00 24.20 C +ATOM 591 CG2 ILE A 73 -2.558 -0.369 -4.012 1.00 29.48 C +ATOM 592 CD1 ILE A 73 -5.329 -0.292 -5.269 1.00 30.20 C +ATOM 593 N SER A 74 -2.233 3.092 -7.354 1.00 35.01 N +ATOM 594 CA SER A 74 -2.601 3.572 -8.682 1.00 41.89 C +ATOM 595 C SER A 74 -1.738 4.735 -9.138 1.00 46.12 C +ATOM 596 O SER A 74 -1.226 5.505 -8.328 1.00 48.25 O +ATOM 597 CB SER A 74 -4.082 3.995 -8.683 1.00 39.96 C +ATOM 598 OG SER A 74 -4.428 4.319 -10.021 1.00 50.66 O +ATOM 599 N GLN A 75 -1.612 4.881 -10.449 1.00 52.66 N +ATOM 600 CA GLN A 75 -0.995 6.045 -11.069 1.00 58.07 C +ATOM 601 C GLN A 75 -2.015 6.794 -11.939 1.00 59.07 C +ATOM 602 O GLN A 75 -2.046 8.042 -11.912 1.00 23.90 O +ATOM 603 CB GLN A 75 0.174 5.655 -11.973 1.00 67.35 C +ATOM 604 CG GLN A 75 1.562 5.992 -11.489 1.00 75.60 C +ATOM 605 CD GLN A 75 1.888 7.471 -11.500 1.00 81.39 C +ATOM 606 OE1 GLN A 75 1.051 8.321 -11.814 1.00 84.06 O +ATOM 607 NE2 GLN A 75 3.134 7.783 -11.145 1.00 81.81 N +ATOM 608 OXT GLN A 75 -2.768 6.064 -12.637 1.00 61.98 O +TER 609 GLN A 75 +END diff --git a/bench/main_benchmark/structures/SFB_OL_CCL2_1DOKA_1DOMA/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_CCL2_1DOKA_1DOMA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d12df829f564fb134272deddc23a388ae2556a29 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_CCL2_1DOKA_1DOMA/state_a.pdb @@ -0,0 +1,598 @@ +ATOM 1 N MET A 0 19.556 35.026 16.814 1.00 31.15 N +ATOM 2 CA MET A 0 19.656 36.393 17.366 1.00 27.26 C +ATOM 3 C MET A 0 21.127 36.805 17.307 1.00 29.16 C +ATOM 4 O MET A 0 22.008 35.946 17.410 1.00 29.17 O +ATOM 5 CB MET A 0 19.140 36.384 18.792 1.00 23.93 C +ATOM 6 CG MET A 0 19.294 37.695 19.513 1.00 24.63 C +ATOM 7 SD MET A 0 18.456 39.069 18.694 1.00 25.10 S +ATOM 8 CE MET A 0 16.725 38.647 19.025 1.00 22.82 C +ATOM 9 N GLN A 1 21.397 38.090 17.071 1.00 30.26 N +ATOM 10 CA GLN A 1 22.770 38.609 17.011 1.00 29.36 C +ATOM 11 C GLN A 1 23.432 38.710 18.402 1.00 30.50 C +ATOM 12 O GLN A 1 22.788 39.048 19.402 1.00 31.12 O +ATOM 13 CB GLN A 1 22.823 39.968 16.291 1.00 28.19 C +ATOM 14 CG GLN A 1 22.460 39.948 14.803 1.00 26.49 C +ATOM 15 CD GLN A 1 20.983 40.289 14.539 1.00 27.79 C +ATOM 16 OE1 GLN A 1 20.093 39.788 15.213 1.00 25.82 O +ATOM 17 NE2 GLN A 1 20.737 41.146 13.556 1.00 26.07 N +ATOM 18 N PRO A 2 24.750 38.481 18.470 1.00 31.19 N +ATOM 19 CA PRO A 2 25.544 38.521 19.710 1.00 30.22 C +ATOM 20 C PRO A 2 25.263 39.651 20.709 1.00 28.41 C +ATOM 21 O PRO A 2 25.149 39.403 21.910 1.00 30.95 O +ATOM 22 CB PRO A 2 26.975 38.596 19.193 1.00 31.81 C +ATOM 23 CG PRO A 2 26.927 37.859 17.934 1.00 34.14 C +ATOM 24 CD PRO A 2 25.618 38.262 17.298 1.00 32.45 C +ATOM 25 N ASP A 3 25.166 40.889 20.234 1.00 24.02 N +ATOM 26 CA ASP A 3 24.922 42.024 21.122 1.00 21.28 C +ATOM 27 C ASP A 3 23.707 41.814 21.996 1.00 20.89 C +ATOM 28 O ASP A 3 23.678 42.291 23.134 1.00 20.02 O +ATOM 29 CB ASP A 3 24.707 43.329 20.321 1.00 22.01 C +ATOM 30 CG ASP A 3 26.016 43.907 19.746 1.00 26.36 C +ATOM 31 OD1 ASP A 3 27.108 43.569 20.267 1.00 25.60 O +ATOM 32 OD2 ASP A 3 25.949 44.734 18.803 1.00 22.48 O +ATOM 33 N ALA A 4 22.699 41.120 21.459 1.00 18.66 N +ATOM 34 CA ALA A 4 21.449 40.920 22.184 1.00 20.35 C +ATOM 35 C ALA A 4 21.631 40.125 23.451 1.00 19.74 C +ATOM 36 O ALA A 4 20.875 40.313 24.402 1.00 22.73 O +ATOM 37 CB ALA A 4 20.397 40.269 21.316 1.00 15.42 C +ATOM 38 N ILE A 5 22.611 39.227 23.451 1.00 22.29 N +ATOM 39 CA ILE A 5 22.925 38.404 24.612 1.00 23.36 C +ATOM 40 C ILE A 5 23.420 39.295 25.765 1.00 22.64 C +ATOM 41 O ILE A 5 23.290 38.954 26.961 1.00 24.58 O +ATOM 42 CB ILE A 5 24.111 37.432 24.307 1.00 27.45 C +ATOM 43 CG1 ILE A 5 23.811 36.552 23.090 1.00 29.87 C +ATOM 44 CG2 ILE A 5 24.394 36.567 25.546 1.00 27.66 C +ATOM 45 CD1 ILE A 5 22.667 35.566 23.325 1.00 35.84 C +ATOM 46 N ASN A 6 24.058 40.401 25.406 1.00 18.85 N +ATOM 47 CA ASN A 6 24.608 41.305 26.399 1.00 17.65 C +ATOM 48 C ASN A 6 23.677 42.470 26.742 1.00 18.08 C +ATOM 49 O ASN A 6 24.105 43.454 27.381 1.00 17.21 O +ATOM 50 CB ASN A 6 25.956 41.838 25.915 1.00 16.74 C +ATOM 51 CG ASN A 6 27.004 40.753 25.790 1.00 18.91 C +ATOM 52 OD1 ASN A 6 27.056 39.830 26.593 1.00 20.63 O +ATOM 53 ND2 ASN A 6 27.823 40.840 24.756 1.00 17.70 N +ATOM 54 N ALA A 7 22.406 42.370 26.332 1.00 15.77 N +ATOM 55 CA ALA A 7 21.437 43.431 26.586 1.00 12.59 C +ATOM 56 C ALA A 7 20.949 43.284 28.036 1.00 12.00 C +ATOM 57 O ALA A 7 21.023 42.192 28.608 1.00 12.99 O +ATOM 58 CB ALA A 7 20.269 43.333 25.578 1.00 11.88 C +ATOM 59 N PRO A 8 20.624 44.404 28.697 1.00 13.31 N +ATOM 60 CA PRO A 8 20.150 44.330 30.086 1.00 15.76 C +ATOM 61 C PRO A 8 18.814 43.615 30.099 1.00 17.58 C +ATOM 62 O PRO A 8 18.140 43.576 29.058 1.00 23.98 O +ATOM 63 CB PRO A 8 20.051 45.790 30.505 1.00 14.05 C +ATOM 64 CG PRO A 8 19.825 46.528 29.217 1.00 14.52 C +ATOM 65 CD PRO A 8 20.737 45.799 28.253 1.00 13.82 C +ATOM 66 N VAL A 9 18.453 43.005 31.223 1.00 14.88 N +ATOM 67 CA VAL A 9 17.203 42.244 31.339 1.00 12.75 C +ATOM 68 C VAL A 9 16.348 42.823 32.476 1.00 13.89 C +ATOM 69 O VAL A 9 16.877 43.177 33.517 1.00 16.00 O +ATOM 70 CB VAL A 9 17.528 40.747 31.686 1.00 13.34 C +ATOM 71 CG1 VAL A 9 16.234 39.963 31.795 1.00 14.66 C +ATOM 72 CG2 VAL A 9 18.459 40.099 30.626 1.00 13.87 C +ATOM 73 N THR A 10 15.047 42.954 32.272 1.00 15.34 N +ATOM 74 CA THR A 10 14.129 43.445 33.322 1.00 15.59 C +ATOM 75 C THR A 10 13.522 42.240 34.058 1.00 17.14 C +ATOM 76 O THR A 10 12.950 41.342 33.419 1.00 17.06 O +ATOM 77 CB THR A 10 12.995 44.225 32.682 1.00 19.33 C +ATOM 78 OG1 THR A 10 13.533 45.426 32.118 1.00 22.06 O +ATOM 79 CG2 THR A 10 11.914 44.580 33.705 1.00 19.87 C +ATOM 80 N CYS A 11 13.673 42.207 35.385 1.00 16.73 N +ATOM 81 CA CYS A 11 13.158 41.131 36.255 1.00 14.10 C +ATOM 82 C CYS A 11 12.439 41.679 37.490 1.00 13.27 C +ATOM 83 O CYS A 11 12.449 42.868 37.799 1.00 13.98 O +ATOM 84 CB CYS A 11 14.308 40.235 36.779 1.00 12.71 C +ATOM 85 SG CYS A 11 15.457 39.669 35.506 1.00 18.45 S +ATOM 86 N CYS A 12 11.826 40.768 38.202 1.00 14.58 N +ATOM 87 CA CYS A 12 11.143 41.085 39.424 1.00 16.19 C +ATOM 88 C CYS A 12 11.894 40.451 40.575 1.00 17.27 C +ATOM 89 O CYS A 12 12.160 39.252 40.568 1.00 17.29 O +ATOM 90 CB CYS A 12 9.712 40.533 39.383 1.00 15.09 C +ATOM 91 SG CYS A 12 8.609 41.579 38.400 1.00 14.99 S +ATOM 92 N ATYR A 13 12.224 41.276 41.562 0.50 20.21 N +ATOM 93 N BTYR A 13 12.207 41.263 41.573 0.50 18.58 N +ATOM 94 CA ATYR A 13 12.928 40.849 42.777 0.50 23.08 C +ATOM 95 CA BTYR A 13 12.904 40.798 42.770 0.50 21.62 C +ATOM 96 C ATYR A 13 11.981 40.961 43.985 0.50 47.87 C +ATOM 97 C BTYR A 13 12.013 40.976 43.992 0.50 25.80 C +ATOM 98 O ATYR A 13 12.170 40.271 44.984 0.50 32.13 O +ATOM 99 O BTYR A 13 12.225 40.290 44.988 0.50 29.79 O +ATOM 100 CB ATYR A 13 14.185 41.698 43.016 0.50 19.42 C +ATOM 101 CB BTYR A 13 14.226 41.562 42.973 0.50 16.58 C +ATOM 102 CG ATYR A 13 15.372 41.270 42.188 0.50 18.31 C +ATOM 103 CG BTYR A 13 15.176 41.448 41.786 0.50 15.68 C +ATOM 104 CD1ATYR A 13 16.117 40.141 42.548 0.50 15.78 C +ATOM 105 CD1BTYR A 13 16.024 40.339 41.645 0.50 14.91 C +ATOM 106 CD2ATYR A 13 15.712 41.941 41.015 0.50 15.27 C +ATOM 107 CD2BTYR A 13 15.149 42.385 40.761 0.50 12.70 C +ATOM 108 CE1ATYR A 13 17.152 39.684 41.764 0.50 13.82 C +ATOM 109 CE1BTYR A 13 16.798 40.163 40.511 0.50 14.50 C +ATOM 110 CE2ATYR A 13 16.764 41.490 40.217 0.50 16.66 C +ATOM 111 CE2BTYR A 13 15.925 42.224 39.613 0.50 13.25 C +ATOM 112 CZ ATYR A 13 17.472 40.350 40.611 0.50 15.85 C +ATOM 113 CZ BTYR A 13 16.742 41.117 39.498 0.50 13.29 C +ATOM 114 OH ATYR A 13 18.490 39.857 39.860 0.50 14.12 O +ATOM 115 OH BTYR A 13 17.501 40.963 38.380 0.50 12.64 O +ATOM 116 N ASN A 14 11.036 41.885 43.921 1.00 28.58 N +ATOM 117 CA ASN A 14 10.087 42.126 45.012 1.00 30.14 C +ATOM 118 C ASN A 14 8.691 41.782 44.467 1.00 30.88 C +ATOM 119 O ASN A 14 8.421 42.061 43.308 1.00 33.30 O +ATOM 120 CB ASN A 14 10.047 43.635 45.334 1.00 34.80 C +ATOM 121 CG ASN A 14 11.429 44.283 45.423 1.00 44.22 C +ATOM 122 OD1 ASN A 14 11.901 44.972 44.485 1.00 45.94 O +ATOM 123 ND2 ASN A 14 12.069 44.106 46.567 1.00 48.11 N +ATOM 124 N PHE A 15 7.801 41.211 45.278 1.00 28.99 N +ATOM 125 CA PHE A 15 6.436 40.912 44.859 1.00 27.48 C +ATOM 126 C PHE A 15 5.483 41.709 45.751 1.00 30.59 C +ATOM 127 O PHE A 15 5.649 41.685 46.977 1.00 32.21 O +ATOM 128 CB PHE A 15 6.119 39.422 45.019 1.00 25.67 C +ATOM 129 CG PHE A 15 6.668 38.550 43.922 1.00 27.36 C +ATOM 130 CD1 PHE A 15 6.740 39.029 42.612 1.00 24.39 C +ATOM 131 CD2 PHE A 15 7.103 37.249 44.196 1.00 27.93 C +ATOM 132 CE1 PHE A 15 7.235 38.243 41.597 1.00 24.06 C +ATOM 133 CE2 PHE A 15 7.609 36.423 43.167 1.00 26.93 C +ATOM 134 CZ PHE A 15 7.671 36.926 41.869 1.00 27.35 C +ATOM 135 N THR A 16 4.501 42.397 45.161 1.00 30.91 N +ATOM 136 CA THR A 16 3.508 43.160 45.928 1.00 32.36 C +ATOM 137 C THR A 16 2.759 42.175 46.802 1.00 34.76 C +ATOM 138 O THR A 16 2.436 41.067 46.384 1.00 34.69 O +ATOM 139 CB THR A 16 2.518 43.943 45.025 1.00 31.51 C +ATOM 140 OG1 THR A 16 1.754 44.847 45.821 1.00 31.86 O +ATOM 141 CG2 THR A 16 1.579 43.015 44.307 1.00 32.47 C +ATOM 142 N ASN A 17 2.538 42.547 48.043 1.00 39.57 N +ATOM 143 CA ASN A 17 1.854 41.655 48.971 1.00 45.44 C +ATOM 144 C ASN A 17 0.355 41.901 49.016 1.00 45.77 C +ATOM 145 O ASN A 17 -0.437 40.984 49.223 1.00 47.24 O +ATOM 146 CB ASN A 17 2.477 41.780 50.367 1.00 53.33 C +ATOM 147 CG ASN A 17 2.733 43.245 50.786 1.00 59.12 C +ATOM 148 OD1 ASN A 17 3.185 44.075 49.978 1.00 61.40 O +ATOM 149 ND2 ASN A 17 2.453 43.559 52.052 1.00 60.37 N +ATOM 150 N ARG A 18 -0.032 43.127 48.714 1.00 46.91 N +ATOM 151 CA ARG A 18 -1.426 43.512 48.744 1.00 48.82 C +ATOM 152 C ARG A 18 -2.118 43.269 47.420 1.00 45.52 C +ATOM 153 O ARG A 18 -1.634 43.682 46.363 1.00 44.22 O +ATOM 154 CB ARG A 18 -1.553 44.997 49.106 1.00 57.51 C +ATOM 155 CG ARG A 18 -2.994 45.478 49.327 1.00 67.54 C +ATOM 156 CD ARG A 18 -3.572 44.947 50.648 1.00 74.86 C +ATOM 157 NE ARG A 18 -5.019 45.154 50.752 1.00 78.93 N +ATOM 158 CZ ARG A 18 -5.748 44.786 51.799 1.00 79.61 C +ATOM 159 NH1 ARG A 18 -5.164 44.198 52.837 1.00 79.69 N +ATOM 160 NH2 ARG A 18 -7.062 44.985 51.797 1.00 80.20 N +ATOM 161 N LYS A 19 -3.285 42.648 47.502 1.00 41.10 N +ATOM 162 CA LYS A 19 -4.098 42.372 46.337 1.00 36.76 C +ATOM 163 C LYS A 19 -4.460 43.723 45.714 1.00 32.43 C +ATOM 164 O LYS A 19 -4.733 44.693 46.408 1.00 32.44 O +ATOM 165 CB LYS A 19 -5.358 41.632 46.777 1.00 37.55 C +ATOM 166 CG LYS A 19 -6.332 41.336 45.662 1.00 40.09 C +ATOM 167 CD LYS A 19 -7.583 40.701 46.234 1.00 45.91 C +ATOM 168 CE LYS A 19 -8.430 39.964 45.186 1.00 50.85 C +ATOM 169 NZ LYS A 19 -9.038 40.806 44.097 1.00 52.71 N +ATOM 170 N ILE A 20 -4.388 43.815 44.403 1.00 29.24 N +ATOM 171 CA ILE A 20 -4.724 45.065 43.728 1.00 26.69 C +ATOM 172 C ILE A 20 -6.074 44.840 43.073 1.00 27.29 C +ATOM 173 O ILE A 20 -6.261 43.793 42.473 1.00 25.24 O +ATOM 174 CB ILE A 20 -3.734 45.304 42.637 1.00 23.89 C +ATOM 175 CG1 ILE A 20 -2.384 45.664 43.234 1.00 27.64 C +ATOM 176 CG2 ILE A 20 -4.251 46.324 41.639 1.00 25.83 C +ATOM 177 CD1 ILE A 20 -1.314 45.743 42.169 1.00 28.15 C +ATOM 178 N SER A 21 -7.001 45.792 43.184 1.00 29.61 N +ATOM 179 CA SER A 21 -8.312 45.647 42.548 1.00 34.03 C +ATOM 180 C SER A 21 -8.205 45.608 41.015 1.00 33.46 C +ATOM 181 O SER A 21 -7.548 46.451 40.406 1.00 30.28 O +ATOM 182 CB SER A 21 -9.238 46.782 42.968 1.00 38.96 C +ATOM 183 OG SER A 21 -10.412 46.809 42.160 1.00 47.94 O +ATOM 184 N VAL A 22 -8.964 44.700 40.403 1.00 37.03 N +ATOM 185 CA VAL A 22 -8.943 44.496 38.953 1.00 39.27 C +ATOM 186 C VAL A 22 -9.359 45.665 38.096 1.00 41.09 C +ATOM 187 O VAL A 22 -9.019 45.708 36.917 1.00 42.15 O +ATOM 188 CB VAL A 22 -9.770 43.257 38.495 1.00 41.26 C +ATOM 189 CG1 VAL A 22 -9.288 41.978 39.197 1.00 42.48 C +ATOM 190 CG2 VAL A 22 -11.280 43.490 38.687 1.00 40.83 C +ATOM 191 N GLN A 23 -10.157 46.568 38.648 1.00 42.38 N +ATOM 192 CA GLN A 23 -10.582 47.733 37.885 1.00 44.10 C +ATOM 193 C GLN A 23 -9.404 48.696 37.728 1.00 43.35 C +ATOM 194 O GLN A 23 -9.377 49.510 36.805 1.00 44.12 O +ATOM 195 CB GLN A 23 -11.753 48.417 38.576 1.00 46.97 C +ATOM 196 CG GLN A 23 -11.403 48.916 39.934 1.00 54.35 C +ATOM 197 CD GLN A 23 -12.609 48.993 40.831 1.00 61.43 C +ATOM 198 OE1 GLN A 23 -13.547 48.195 40.695 1.00 64.88 O +ATOM 199 NE2 GLN A 23 -12.600 49.947 41.769 1.00 62.26 N +ATOM 200 N ARG A 24 -8.410 48.574 38.606 1.00 41.74 N +ATOM 201 CA ARG A 24 -7.242 49.421 38.520 1.00 40.63 C +ATOM 202 C ARG A 24 -6.142 48.859 37.624 1.00 37.01 C +ATOM 203 O ARG A 24 -5.118 49.506 37.434 1.00 36.89 O +ATOM 204 CB ARG A 24 -6.683 49.686 39.901 1.00 47.61 C +ATOM 205 CG ARG A 24 -5.982 51.016 39.981 1.00 59.24 C +ATOM 206 CD ARG A 24 -5.954 51.551 41.395 1.00 68.55 C +ATOM 207 NE ARG A 24 -5.805 53.006 41.412 1.00 77.82 N +ATOM 208 CZ ARG A 24 -5.338 53.702 42.448 1.00 82.56 C +ATOM 209 NH1 ARG A 24 -4.959 53.083 43.568 1.00 84.73 N +ATOM 210 NH2 ARG A 24 -5.276 55.027 42.376 1.00 86.09 N +ATOM 211 N LEU A 25 -6.364 47.681 37.048 1.00 34.52 N +ATOM 212 CA LEU A 25 -5.384 47.021 36.158 1.00 31.38 C +ATOM 213 C LEU A 25 -5.634 47.250 34.660 1.00 29.80 C +ATOM 214 O LEU A 25 -6.741 47.057 34.172 1.00 31.97 O +ATOM 215 CB LEU A 25 -5.377 45.518 36.418 1.00 29.82 C +ATOM 216 CG LEU A 25 -4.930 45.106 37.802 1.00 25.79 C +ATOM 217 CD1 LEU A 25 -5.137 43.624 37.974 1.00 26.00 C +ATOM 218 CD2 LEU A 25 -3.491 45.512 37.985 1.00 25.71 C +ATOM 219 N ALA A 26 -4.601 47.628 33.932 1.00 26.72 N +ATOM 220 CA ALA A 26 -4.738 47.895 32.514 1.00 26.29 C +ATOM 221 C ALA A 26 -4.250 46.706 31.732 1.00 26.95 C +ATOM 222 O ALA A 26 -4.858 46.346 30.726 1.00 29.77 O +ATOM 223 CB ALA A 26 -3.942 49.132 32.118 1.00 26.17 C +ATOM 224 N SER A 27 -3.113 46.147 32.136 1.00 25.13 N +ATOM 225 CA SER A 27 -2.554 44.988 31.438 1.00 25.36 C +ATOM 226 C SER A 27 -1.525 44.283 32.294 1.00 22.96 C +ATOM 227 O SER A 27 -1.293 44.681 33.439 1.00 19.89 O +ATOM 228 CB SER A 27 -1.940 45.378 30.062 1.00 25.62 C +ATOM 229 OG SER A 27 -0.847 46.270 30.158 1.00 25.94 O +ATOM 230 N TYR A 28 -0.907 43.249 31.705 1.00 23.51 N +ATOM 231 CA TYR A 28 0.132 42.455 32.358 1.00 21.39 C +ATOM 232 C TYR A 28 1.023 41.800 31.337 1.00 23.47 C +ATOM 233 O TYR A 28 0.668 41.648 30.137 1.00 24.48 O +ATOM 234 CB TYR A 28 -0.502 41.355 33.232 1.00 18.10 C +ATOM 235 CG TYR A 28 -0.990 40.129 32.494 1.00 20.72 C +ATOM 236 CD1 TYR A 28 -0.128 39.068 32.247 1.00 18.13 C +ATOM 237 CD2 TYR A 28 -2.301 40.025 32.045 1.00 21.19 C +ATOM 238 CE1 TYR A 28 -0.541 37.964 31.589 1.00 21.67 C +ATOM 239 CE2 TYR A 28 -2.739 38.888 31.366 1.00 21.70 C +ATOM 240 CZ TYR A 28 -1.843 37.864 31.142 1.00 21.20 C +ATOM 241 OH TYR A 28 -2.206 36.717 30.486 1.00 25.04 O +ATOM 242 N ARG A 29 2.165 41.338 31.819 1.00 23.88 N +ATOM 243 CA ARG A 29 3.103 40.599 30.994 1.00 23.40 C +ATOM 244 C ARG A 29 3.820 39.664 31.933 1.00 20.57 C +ATOM 245 O ARG A 29 3.913 39.963 33.102 1.00 20.98 O +ATOM 246 CB ARG A 29 4.080 41.511 30.271 1.00 26.26 C +ATOM 247 CG ARG A 29 4.949 42.403 31.118 1.00 31.35 C +ATOM 248 CD ARG A 29 5.644 43.390 30.189 1.00 40.41 C +ATOM 249 NE ARG A 29 6.351 44.464 30.889 1.00 49.86 N +ATOM 250 CZ ARG A 29 7.670 44.487 31.087 1.00 53.22 C +ATOM 251 NH1 ARG A 29 8.424 43.488 30.633 1.00 56.38 N +ATOM 252 NH2 ARG A 29 8.237 45.500 31.745 1.00 51.25 N +ATOM 253 N ARG A 30 4.175 38.477 31.464 1.00 20.18 N +ATOM 254 CA ARG A 30 4.904 37.520 32.292 1.00 18.62 C +ATOM 255 C ARG A 30 6.398 37.596 32.032 1.00 19.94 C +ATOM 256 O ARG A 30 6.834 37.900 30.910 1.00 22.04 O +ATOM 257 CB ARG A 30 4.410 36.080 32.062 1.00 18.24 C +ATOM 258 CG ARG A 30 2.996 35.803 32.601 1.00 24.75 C +ATOM 259 CD ARG A 30 2.612 34.339 32.526 1.00 27.27 C +ATOM 260 NE ARG A 30 3.473 33.550 33.394 1.00 32.83 N +ATOM 261 CZ ARG A 30 3.073 32.902 34.486 1.00 34.32 C +ATOM 262 NH1 ARG A 30 1.797 32.896 34.855 1.00 35.41 N +ATOM 263 NH2 ARG A 30 3.986 32.388 35.301 1.00 34.11 N +ATOM 264 N ILE A 31 7.188 37.427 33.092 1.00 18.91 N +ATOM 265 CA ILE A 31 8.638 37.405 32.981 1.00 19.11 C +ATOM 266 C ILE A 31 9.010 35.925 32.833 1.00 20.17 C +ATOM 267 O ILE A 31 8.618 35.095 33.667 1.00 19.78 O +ATOM 268 CB ILE A 31 9.301 37.975 34.256 1.00 19.62 C +ATOM 269 CG1 ILE A 31 9.001 39.460 34.349 1.00 21.12 C +ATOM 270 CG2 ILE A 31 10.795 37.772 34.228 1.00 17.30 C +ATOM 271 CD1 ILE A 31 9.367 40.216 33.097 1.00 28.24 C +ATOM 272 N THR A 32 9.788 35.602 31.796 1.00 18.84 N +ATOM 273 CA THR A 32 10.203 34.237 31.519 1.00 21.60 C +ATOM 274 C THR A 32 11.681 34.139 31.128 1.00 23.32 C +ATOM 275 O THR A 32 12.176 33.061 30.821 1.00 25.37 O +ATOM 276 CB THR A 32 9.382 33.580 30.339 1.00 21.82 C +ATOM 277 OG1 THR A 32 9.422 34.411 29.183 1.00 21.88 O +ATOM 278 CG2 THR A 32 7.969 33.344 30.708 1.00 20.17 C +ATOM 279 N SER A 33 12.375 35.256 31.075 1.00 23.41 N +ATOM 280 CA SER A 33 13.775 35.211 30.715 1.00 26.07 C +ATOM 281 C SER A 33 14.550 34.272 31.633 1.00 27.03 C +ATOM 282 O SER A 33 14.338 34.265 32.839 1.00 26.25 O +ATOM 283 CB SER A 33 14.373 36.602 30.790 1.00 26.00 C +ATOM 284 OG SER A 33 15.777 36.519 30.821 1.00 29.94 O +ATOM 285 N SER A 34 15.447 33.476 31.059 1.00 29.51 N +ATOM 286 CA SER A 34 16.257 32.544 31.848 1.00 30.35 C +ATOM 287 C SER A 34 17.228 33.283 32.796 1.00 29.80 C +ATOM 288 O SER A 34 17.758 32.691 33.740 1.00 28.92 O +ATOM 289 CB SER A 34 17.041 31.586 30.931 1.00 31.47 C +ATOM 290 OG SER A 34 17.906 32.305 30.057 1.00 36.59 O +ATOM 291 N LYS A 35 17.465 34.572 32.555 1.00 28.07 N +ATOM 292 CA LYS A 35 18.367 35.304 33.431 1.00 28.32 C +ATOM 293 C LYS A 35 17.730 35.710 34.751 1.00 28.01 C +ATOM 294 O LYS A 35 18.433 35.792 35.763 1.00 29.05 O +ATOM 295 CB LYS A 35 18.936 36.525 32.723 1.00 31.56 C +ATOM 296 CG LYS A 35 19.652 36.209 31.397 1.00 37.38 C +ATOM 297 CD LYS A 35 20.658 35.053 31.488 1.00 42.45 C +ATOM 298 CE LYS A 35 21.763 35.303 32.505 1.00 45.43 C +ATOM 299 NZ LYS A 35 22.916 34.375 32.351 1.00 47.85 N +ATOM 300 N CYS A 36 16.398 35.880 34.771 1.00 24.82 N +ATOM 301 CA CYS A 36 15.699 36.295 35.980 1.00 20.71 C +ATOM 302 C CYS A 36 15.562 35.219 37.017 1.00 22.70 C +ATOM 303 O CYS A 36 15.377 34.058 36.685 1.00 25.17 O +ATOM 304 CB CYS A 36 14.335 36.856 35.679 1.00 16.71 C +ATOM 305 SG CYS A 36 14.366 38.258 34.538 1.00 18.21 S +ATOM 306 N PRO A 37 15.503 35.622 38.299 1.00 22.07 N +ATOM 307 CA PRO A 37 15.386 34.734 39.454 1.00 23.28 C +ATOM 308 C PRO A 37 14.178 33.806 39.523 1.00 24.27 C +ATOM 309 O PRO A 37 14.338 32.588 39.674 1.00 23.55 O +ATOM 310 CB PRO A 37 15.472 35.698 40.642 1.00 23.71 C +ATOM 311 CG PRO A 37 14.997 37.007 40.101 1.00 25.80 C +ATOM 312 CD PRO A 37 15.580 37.039 38.712 1.00 23.25 C +ATOM 313 N LYS A 38 12.994 34.355 39.261 1.00 23.64 N +ATOM 314 CA LYS A 38 11.778 33.596 39.336 1.00 22.39 C +ATOM 315 C LYS A 38 10.728 34.062 38.346 1.00 19.81 C +ATOM 316 O LYS A 38 10.732 35.208 37.902 1.00 16.75 O +ATOM 317 CB LYS A 38 11.225 33.697 40.760 1.00 28.62 C +ATOM 318 CG LYS A 38 11.519 35.030 41.441 1.00 37.24 C +ATOM 319 CD LYS A 38 10.956 35.103 42.863 1.00 43.27 C +ATOM 320 CE LYS A 38 11.327 36.455 43.558 1.00 47.82 C +ATOM 321 NZ LYS A 38 12.804 36.627 43.842 1.00 47.52 N +ATOM 322 N GLU A 39 9.807 33.176 38.027 1.00 17.80 N +ATOM 323 CA GLU A 39 8.713 33.553 37.130 1.00 19.66 C +ATOM 324 C GLU A 39 7.974 34.691 37.853 1.00 17.34 C +ATOM 325 O GLU A 39 7.872 34.678 39.082 1.00 16.28 O +ATOM 326 CB GLU A 39 7.754 32.374 36.940 1.00 22.04 C +ATOM 327 CG GLU A 39 8.323 31.222 36.133 1.00 27.67 C +ATOM 328 CD GLU A 39 7.518 29.946 36.269 1.00 28.36 C +ATOM 329 OE1 GLU A 39 7.188 29.569 37.414 1.00 30.87 O +ATOM 330 OE2 GLU A 39 7.231 29.301 35.240 1.00 28.02 O +ATOM 331 N ALA A 40 7.436 35.650 37.101 1.00 16.49 N +ATOM 332 CA ALA A 40 6.725 36.770 37.709 1.00 14.98 C +ATOM 333 C ALA A 40 5.726 37.364 36.743 1.00 16.46 C +ATOM 334 O ALA A 40 5.775 37.102 35.543 1.00 17.87 O +ATOM 335 CB ALA A 40 7.730 37.873 38.119 1.00 12.51 C +ATOM 336 N VAL A 41 4.827 38.187 37.262 1.00 14.37 N +ATOM 337 CA VAL A 41 3.865 38.878 36.394 1.00 14.69 C +ATOM 338 C VAL A 41 4.069 40.354 36.675 1.00 13.38 C +ATOM 339 O VAL A 41 4.259 40.753 37.808 1.00 15.45 O +ATOM 340 CB VAL A 41 2.396 38.471 36.686 1.00 14.56 C +ATOM 341 CG1 VAL A 41 1.374 39.317 35.849 1.00 16.21 C +ATOM 342 CG2 VAL A 41 2.207 37.004 36.385 1.00 21.22 C +ATOM 343 N ILE A 42 4.106 41.177 35.649 1.00 15.28 N +ATOM 344 CA ILE A 42 4.229 42.613 35.868 1.00 14.45 C +ATOM 345 C ILE A 42 2.889 43.172 35.420 1.00 16.42 C +ATOM 346 O ILE A 42 2.474 42.995 34.257 1.00 19.33 O +ATOM 347 CB ILE A 42 5.330 43.274 35.022 1.00 16.59 C +ATOM 348 CG1 ILE A 42 6.712 42.784 35.454 1.00 16.39 C +ATOM 349 CG2 ILE A 42 5.250 44.776 35.143 1.00 13.42 C +ATOM 350 CD1 ILE A 42 7.801 43.280 34.580 1.00 15.07 C +ATOM 351 N PHE A 43 2.187 43.780 36.356 1.00 16.41 N +ATOM 352 CA PHE A 43 0.897 44.381 36.074 1.00 18.40 C +ATOM 353 C PHE A 43 1.107 45.829 35.797 1.00 18.67 C +ATOM 354 O PHE A 43 1.977 46.462 36.402 1.00 19.34 O +ATOM 355 CB PHE A 43 -0.057 44.240 37.273 1.00 15.29 C +ATOM 356 CG PHE A 43 -0.715 42.910 37.370 1.00 17.67 C +ATOM 357 CD1 PHE A 43 -1.562 42.470 36.371 1.00 16.78 C +ATOM 358 CD2 PHE A 43 -0.539 42.103 38.488 1.00 20.96 C +ATOM 359 CE1 PHE A 43 -2.228 41.246 36.494 1.00 17.57 C +ATOM 360 CE2 PHE A 43 -1.208 40.883 38.607 1.00 22.92 C +ATOM 361 CZ PHE A 43 -2.051 40.460 37.607 1.00 21.17 C +ATOM 362 N LYS A 44 0.361 46.349 34.841 1.00 21.86 N +ATOM 363 CA LYS A 44 0.436 47.776 34.538 1.00 26.05 C +ATOM 364 C LYS A 44 -0.945 48.310 34.927 1.00 24.84 C +ATOM 365 O LYS A 44 -1.963 47.764 34.508 1.00 23.12 O +ATOM 366 CB LYS A 44 0.723 48.026 33.048 1.00 27.87 C +ATOM 367 CG LYS A 44 0.997 49.493 32.723 1.00 32.58 C +ATOM 368 CD LYS A 44 2.417 49.737 32.178 1.00 37.56 C +ATOM 369 CE LYS A 44 2.565 49.280 30.716 1.00 38.75 C +ATOM 370 NZ LYS A 44 3.963 49.392 30.233 1.00 40.38 N +ATOM 371 N THR A 45 -0.968 49.314 35.785 1.00 27.99 N +ATOM 372 CA THR A 45 -2.206 49.928 36.278 1.00 32.05 C +ATOM 373 C THR A 45 -2.711 51.044 35.368 1.00 34.27 C +ATOM 374 O THR A 45 -1.974 51.496 34.491 1.00 33.55 O +ATOM 375 CB THR A 45 -1.974 50.574 37.632 1.00 32.79 C +ATOM 376 OG1 THR A 45 -1.063 51.676 37.474 1.00 34.14 O +ATOM 377 CG2 THR A 45 -1.391 49.562 38.607 1.00 34.77 C +ATOM 378 N ILE A 46 -3.925 51.545 35.651 1.00 37.09 N +ATOM 379 CA ILE A 46 -4.554 52.634 34.878 1.00 37.31 C +ATOM 380 C ILE A 46 -3.749 53.908 34.947 1.00 41.01 C +ATOM 381 O ILE A 46 -3.783 54.719 34.016 1.00 44.27 O +ATOM 382 CB ILE A 46 -5.979 52.952 35.333 1.00 35.07 C +ATOM 383 CG1 ILE A 46 -6.026 53.145 36.846 1.00 36.33 C +ATOM 384 CG2 ILE A 46 -6.922 51.921 34.817 1.00 34.94 C +ATOM 385 CD1 ILE A 46 -7.430 53.395 37.417 1.00 37.62 C +ATOM 386 N VAL A 47 -3.019 54.085 36.046 1.00 43.01 N +ATOM 387 CA VAL A 47 -2.152 55.241 36.201 1.00 44.72 C +ATOM 388 C VAL A 47 -0.728 54.956 35.635 1.00 46.28 C +ATOM 389 O VAL A 47 0.206 55.706 35.907 1.00 48.55 O +ATOM 390 CB VAL A 47 -2.070 55.672 37.676 1.00 45.73 C +ATOM 391 CG1 VAL A 47 -3.467 55.783 38.276 1.00 48.43 C +ATOM 392 CG2 VAL A 47 -1.261 54.690 38.459 1.00 50.75 C +ATOM 393 N ALA A 48 -0.574 53.884 34.845 1.00 45.87 N +ATOM 394 CA ALA A 48 0.703 53.477 34.219 1.00 43.45 C +ATOM 395 C ALA A 48 1.783 52.891 35.145 1.00 43.08 C +ATOM 396 O ALA A 48 2.932 52.658 34.724 1.00 43.39 O +ATOM 397 CB ALA A 48 1.294 54.620 33.369 1.00 41.89 C +ATOM 398 N LYS A 49 1.434 52.650 36.403 1.00 40.72 N +ATOM 399 CA LYS A 49 2.396 52.074 37.330 1.00 37.23 C +ATOM 400 C LYS A 49 2.632 50.594 36.948 1.00 35.14 C +ATOM 401 O LYS A 49 1.752 49.956 36.372 1.00 34.98 O +ATOM 402 CB LYS A 49 1.870 52.231 38.761 1.00 36.53 C +ATOM 403 CG LYS A 49 2.788 51.694 39.832 1.00 41.23 C +ATOM 404 CD LYS A 49 2.463 52.307 41.184 1.00 46.15 C +ATOM 405 CE LYS A 49 2.710 53.814 41.176 1.00 50.74 C +ATOM 406 NZ LYS A 49 2.492 54.458 42.507 1.00 53.72 N +ATOM 407 N GLU A 50 3.856 50.108 37.145 1.00 32.35 N +ATOM 408 CA GLU A 50 4.222 48.726 36.854 1.00 28.56 C +ATOM 409 C GLU A 50 4.533 48.057 38.171 1.00 26.57 C +ATOM 410 O GLU A 50 5.330 48.562 38.945 1.00 26.20 O +ATOM 411 CB GLU A 50 5.425 48.673 35.946 1.00 27.98 C +ATOM 412 CG GLU A 50 5.100 49.180 34.578 1.00 34.38 C +ATOM 413 CD GLU A 50 5.997 48.588 33.521 1.00 35.86 C +ATOM 414 OE1 GLU A 50 7.199 48.866 33.562 1.00 38.39 O +ATOM 415 OE2 GLU A 50 5.509 47.816 32.668 1.00 40.01 O +ATOM 416 N ILE A 51 3.871 46.942 38.458 1.00 24.45 N +ATOM 417 CA ILE A 51 4.084 46.272 39.732 1.00 23.90 C +ATOM 418 C ILE A 51 4.306 44.794 39.546 1.00 21.42 C +ATOM 419 O ILE A 51 3.588 44.126 38.809 1.00 22.93 O +ATOM 420 CB ILE A 51 2.868 46.423 40.682 1.00 23.99 C +ATOM 421 CG1 ILE A 51 2.526 47.889 40.910 1.00 26.67 C +ATOM 422 CG2 ILE A 51 3.172 45.808 42.044 1.00 23.76 C +ATOM 423 CD1 ILE A 51 1.163 48.043 41.548 1.00 33.30 C +ATOM 424 N CYS A 52 5.265 44.285 40.280 1.00 19.82 N +ATOM 425 CA CYS A 52 5.610 42.881 40.261 1.00 21.26 C +ATOM 426 C CYS A 52 4.658 42.124 41.153 1.00 19.60 C +ATOM 427 O CYS A 52 4.491 42.488 42.325 1.00 19.52 O +ATOM 428 CB CYS A 52 7.061 42.684 40.769 1.00 18.61 C +ATOM 429 SG CYS A 52 8.337 43.218 39.576 1.00 18.37 S +ATOM 430 N ALA A 53 4.073 41.053 40.628 1.00 17.68 N +ATOM 431 CA ALA A 53 3.131 40.234 41.388 1.00 16.38 C +ATOM 432 C ALA A 53 3.510 38.754 41.274 1.00 16.56 C +ATOM 433 O ALA A 53 4.096 38.313 40.274 1.00 16.49 O +ATOM 434 CB ALA A 53 1.764 40.463 40.910 1.00 14.50 C +ATOM 435 N ASP A 54 3.267 38.018 42.346 1.00 17.69 N +ATOM 436 CA ASP A 54 3.594 36.587 42.445 1.00 19.84 C +ATOM 437 C ASP A 54 2.512 35.694 41.775 1.00 16.45 C +ATOM 438 O ASP A 54 1.361 35.620 42.249 1.00 12.87 O +ATOM 439 CB ASP A 54 3.784 36.228 43.942 1.00 19.53 C +ATOM 440 CG ASP A 54 4.109 34.776 44.184 1.00 23.94 C +ATOM 441 OD1 ASP A 54 4.506 34.028 43.254 1.00 21.23 O +ATOM 442 OD2 ASP A 54 3.987 34.378 45.366 1.00 30.04 O +ATOM 443 N PRO A 55 2.911 34.937 40.728 1.00 14.84 N +ATOM 444 CA PRO A 55 1.989 34.060 40.013 1.00 15.59 C +ATOM 445 C PRO A 55 1.487 32.836 40.796 1.00 15.34 C +ATOM 446 O PRO A 55 0.603 32.145 40.332 1.00 15.10 O +ATOM 447 CB PRO A 55 2.765 33.687 38.728 1.00 17.53 C +ATOM 448 CG PRO A 55 4.168 33.758 39.118 1.00 18.92 C +ATOM 449 CD PRO A 55 4.257 34.931 40.112 1.00 17.03 C +ATOM 450 N LYS A 56 2.003 32.604 42.006 1.00 15.20 N +ATOM 451 CA LYS A 56 1.554 31.483 42.811 1.00 15.27 C +ATOM 452 C LYS A 56 0.363 31.871 43.711 1.00 15.72 C +ATOM 453 O LYS A 56 -0.164 31.036 44.473 1.00 16.84 O +ATOM 454 CB LYS A 56 2.706 30.956 43.648 1.00 18.52 C +ATOM 455 CG LYS A 56 3.902 30.504 42.834 1.00 24.17 C +ATOM 456 CD LYS A 56 4.975 29.936 43.741 1.00 24.92 C +ATOM 457 CE LYS A 56 6.180 29.477 42.940 1.00 31.46 C +ATOM 458 NZ LYS A 56 7.156 28.782 43.821 1.00 35.48 N +ATOM 459 N AGLN A 57 -0.049 33.129 43.636 0.50 16.05 N +ATOM 460 N BGLN A 57 -0.049 33.130 43.630 0.50 16.62 N +ATOM 461 CA AGLN A 57 -1.194 33.600 44.407 0.50 15.32 C +ATOM 462 CA BGLN A 57 -1.181 33.647 44.407 0.50 16.53 C +ATOM 463 C AGLN A 57 -2.430 33.578 43.509 0.50 16.73 C +ATOM 464 C BGLN A 57 -2.426 33.618 43.533 0.50 12.90 C +ATOM 465 O AGLN A 57 -2.352 33.887 42.316 0.50 15.79 O +ATOM 466 O BGLN A 57 -2.349 33.928 42.340 0.50 15.00 O +ATOM 467 CB AGLN A 57 -0.983 35.027 44.900 0.50 14.48 C +ATOM 468 CB BGLN A 57 -0.928 35.097 44.796 0.50 17.24 C +ATOM 469 CG AGLN A 57 0.115 35.180 45.938 0.50 14.78 C +ATOM 470 CG BGLN A 57 0.369 35.293 45.535 0.50 19.84 C +ATOM 471 CD AGLN A 57 0.476 36.634 46.137 0.50 16.59 C +ATOM 472 CD BGLN A 57 0.172 35.277 47.011 0.50 22.40 C +ATOM 473 OE1AGLN A 57 -0.391 37.476 46.336 0.50 18.50 O +ATOM 474 OE1BGLN A 57 0.035 36.339 47.631 0.50 27.96 O +ATOM 475 NE2AGLN A 57 1.758 36.942 46.060 0.50 21.06 N +ATOM 476 NE2BGLN A 57 0.144 34.086 47.603 0.50 19.77 N +ATOM 477 N LYS A 58 -3.569 33.268 44.112 1.00 17.02 N +ATOM 478 CA LYS A 58 -4.848 33.195 43.408 1.00 17.43 C +ATOM 479 C LYS A 58 -5.299 34.507 42.776 1.00 15.52 C +ATOM 480 O LYS A 58 -5.709 34.501 41.624 1.00 17.94 O +ATOM 481 CB LYS A 58 -5.939 32.694 44.377 1.00 20.82 C +ATOM 482 CG LYS A 58 -7.300 32.363 43.687 1.00 23.10 C +ATOM 483 CD LYS A 58 -8.360 31.871 44.696 1.00 22.15 C +ATOM 484 CE LYS A 58 -9.683 31.722 44.007 1.00 21.08 C +ATOM 485 NZ LYS A 58 -10.242 33.084 43.781 1.00 18.85 N +ATOM 486 N TRP A 59 -5.241 35.619 43.506 1.00 16.84 N +ATOM 487 CA TRP A 59 -5.660 36.912 42.954 1.00 15.64 C +ATOM 488 C TRP A 59 -4.917 37.333 41.684 1.00 16.24 C +ATOM 489 O TRP A 59 -5.480 38.029 40.848 1.00 16.94 O +ATOM 490 CB TRP A 59 -5.588 38.034 43.997 1.00 13.82 C +ATOM 491 CG TRP A 59 -4.159 38.589 44.354 1.00 18.04 C +ATOM 492 CD1 TRP A 59 -3.326 38.152 45.357 1.00 15.03 C +ATOM 493 CD2 TRP A 59 -3.472 39.696 43.730 1.00 15.52 C +ATOM 494 NE1 TRP A 59 -2.185 38.921 45.387 1.00 16.40 N +ATOM 495 CE2 TRP A 59 -2.251 39.868 44.410 1.00 14.87 C +ATOM 496 CE3 TRP A 59 -3.765 40.530 42.644 1.00 17.63 C +ATOM 497 CZ2 TRP A 59 -1.340 40.839 44.045 1.00 14.54 C +ATOM 498 CZ3 TRP A 59 -2.856 41.486 42.276 1.00 16.23 C +ATOM 499 CH2 TRP A 59 -1.660 41.639 42.971 1.00 17.27 C +ATOM 500 N VAL A 60 -3.663 36.924 41.553 1.00 14.45 N +ATOM 501 CA VAL A 60 -2.857 37.255 40.402 1.00 15.31 C +ATOM 502 C VAL A 60 -3.351 36.423 39.204 1.00 18.99 C +ATOM 503 O VAL A 60 -3.466 36.963 38.093 1.00 22.93 O +ATOM 504 CB VAL A 60 -1.336 37.000 40.637 1.00 13.95 C +ATOM 505 CG1 VAL A 60 -0.533 37.467 39.427 1.00 13.09 C +ATOM 506 CG2 VAL A 60 -0.828 37.729 41.915 1.00 11.08 C +ATOM 507 N GLN A 61 -3.655 35.146 39.428 1.00 16.79 N +ATOM 508 CA GLN A 61 -4.150 34.253 38.369 1.00 18.26 C +ATOM 509 C GLN A 61 -5.534 34.751 37.909 1.00 18.99 C +ATOM 510 O GLN A 61 -5.792 34.905 36.726 1.00 20.38 O +ATOM 511 CB GLN A 61 -4.164 32.790 38.872 1.00 16.22 C +ATOM 512 CG GLN A 61 -2.746 32.277 39.310 1.00 17.91 C +ATOM 513 CD GLN A 61 -2.785 31.054 40.216 1.00 20.80 C +ATOM 514 OE1 GLN A 61 -3.847 30.413 40.437 1.00 23.09 O +ATOM 515 NE2 GLN A 61 -1.633 30.709 40.760 1.00 20.92 N +ATOM 516 N ASP A 62 -6.340 35.188 38.869 1.00 19.61 N +ATOM 517 CA ASP A 62 -7.680 35.726 38.647 1.00 20.78 C +ATOM 518 C ASP A 62 -7.667 37.047 37.857 1.00 20.46 C +ATOM 519 O ASP A 62 -8.558 37.293 37.038 1.00 23.38 O +ATOM 520 CB ASP A 62 -8.386 35.959 40.002 1.00 24.07 C +ATOM 521 CG ASP A 62 -8.968 34.683 40.613 1.00 23.66 C +ATOM 522 OD1 ASP A 62 -9.028 33.631 39.965 1.00 26.85 O +ATOM 523 OD2 ASP A 62 -9.382 34.743 41.777 1.00 27.35 O +ATOM 524 N SER A 63 -6.702 37.905 38.156 1.00 20.86 N +ATOM 525 CA SER A 63 -6.503 39.194 37.494 1.00 19.19 C +ATOM 526 C SER A 63 -6.036 38.971 36.067 1.00 19.62 C +ATOM 527 O SER A 63 -6.383 39.745 35.181 1.00 22.45 O +ATOM 528 CB SER A 63 -5.479 40.035 38.258 1.00 17.81 C +ATOM 529 OG SER A 63 -6.021 40.455 39.489 1.00 18.17 O +ATOM 530 N MET A 64 -5.205 37.957 35.848 1.00 19.23 N +ATOM 531 CA MET A 64 -4.783 37.623 34.491 1.00 20.70 C +ATOM 532 C MET A 64 -6.003 37.166 33.668 1.00 22.80 C +ATOM 533 O MET A 64 -6.181 37.636 32.546 1.00 25.23 O +ATOM 534 CB MET A 64 -3.713 36.533 34.485 1.00 17.69 C +ATOM 535 CG MET A 64 -2.326 37.031 34.911 1.00 19.84 C +ATOM 536 SD MET A 64 -1.024 35.820 34.693 1.00 24.11 S +ATOM 537 CE MET A 64 -1.071 35.163 36.157 1.00 14.58 C +ATOM 538 N ASP A 65 -6.872 36.316 34.223 1.00 23.34 N +ATOM 539 CA ASP A 65 -8.062 35.862 33.472 1.00 24.63 C +ATOM 540 C ASP A 65 -8.997 37.027 33.151 1.00 25.60 C +ATOM 541 O ASP A 65 -9.528 37.111 32.039 1.00 30.02 O +ATOM 542 CB ASP A 65 -8.827 34.737 34.200 1.00 25.74 C +ATOM 543 CG ASP A 65 -8.028 33.443 34.307 1.00 27.29 C +ATOM 544 OD1 ASP A 65 -7.106 33.220 33.502 1.00 29.76 O +ATOM 545 OD2 ASP A 65 -8.311 32.637 35.215 1.00 28.73 O +ATOM 546 N HIS A 66 -9.133 37.966 34.079 1.00 24.23 N +ATOM 547 CA HIS A 66 -9.986 39.144 33.890 1.00 24.45 C +ATOM 548 C HIS A 66 -9.473 40.016 32.753 1.00 23.27 C +ATOM 549 O HIS A 66 -10.257 40.596 31.974 1.00 22.90 O +ATOM 550 CB HIS A 66 -10.048 39.956 35.186 1.00 27.11 C +ATOM 551 CG HIS A 66 -10.598 41.352 35.024 1.00 35.36 C +ATOM 552 ND1 HIS A 66 -11.948 41.641 35.079 1.00 37.04 N +ATOM 553 CD2 HIS A 66 -9.969 42.547 34.859 1.00 37.68 C +ATOM 554 CE1 HIS A 66 -12.123 42.951 34.961 1.00 39.59 C +ATOM 555 NE2 HIS A 66 -10.940 43.521 34.826 1.00 37.78 N +ATOM 556 N LEU A 67 -8.157 40.134 32.676 1.00 23.78 N +ATOM 557 CA LEU A 67 -7.521 40.936 31.645 1.00 27.27 C +ATOM 558 C LEU A 67 -7.614 40.204 30.297 1.00 30.78 C +ATOM 559 O LEU A 67 -7.800 40.843 29.266 1.00 33.04 O +ATOM 560 CB LEU A 67 -6.059 41.253 32.003 1.00 23.36 C +ATOM 561 CG LEU A 67 -5.696 42.552 32.744 1.00 24.29 C +ATOM 562 CD1 LEU A 67 -6.892 43.286 33.346 1.00 21.58 C +ATOM 563 CD2 LEU A 67 -4.692 42.234 33.810 1.00 20.04 C +ATOM 564 N ASP A 68 -7.519 38.878 30.316 1.00 31.57 N +ATOM 565 CA ASP A 68 -7.602 38.079 29.098 1.00 35.04 C +ATOM 566 C ASP A 68 -9.022 37.989 28.526 1.00 37.28 C +ATOM 567 O ASP A 68 -9.202 37.878 27.312 1.00 38.79 O +ATOM 568 CB ASP A 68 -7.046 36.661 29.320 1.00 31.23 C +ATOM 569 CG ASP A 68 -5.526 36.632 29.470 1.00 32.85 C +ATOM 570 OD1 ASP A 68 -4.841 37.581 29.060 1.00 33.16 O +ATOM 571 OD2 ASP A 68 -4.998 35.656 30.011 1.00 34.31 O +ATOM 572 N LYS A 69 -10.028 38.066 29.382 1.00 39.71 N +ATOM 573 CA LYS A 69 -11.392 37.963 28.907 1.00 44.80 C +ATOM 574 C LYS A 69 -11.759 39.110 27.980 1.00 46.89 C +ATOM 575 O LYS A 69 -12.546 38.931 27.062 1.00 48.15 O +ATOM 576 CB LYS A 69 -12.379 37.944 30.072 1.00 48.05 C +ATOM 577 CG LYS A 69 -12.545 39.308 30.760 1.00 53.05 C +ATOM 578 CD LYS A 69 -13.696 39.334 31.769 1.00 56.01 C +ATOM 579 CE LYS A 69 -13.511 38.305 32.873 1.00 58.45 C +ATOM 580 NZ LYS A 69 -14.661 38.264 33.831 1.00 60.18 N +ATOM 581 N GLN A 70 -11.214 40.288 28.233 1.00 49.61 N +ATOM 582 CA GLN A 70 -11.555 41.440 27.422 1.00 55.54 C +ATOM 583 C GLN A 70 -10.940 41.409 26.049 1.00 60.20 C +ATOM 584 O GLN A 70 -9.839 40.890 25.859 1.00 60.32 O +ATOM 585 CB GLN A 70 -11.139 42.733 28.099 1.00 56.61 C +ATOM 586 CG GLN A 70 -11.678 42.912 29.484 1.00 58.16 C +ATOM 587 CD GLN A 70 -11.212 44.209 30.083 1.00 60.09 C +ATOM 588 OE1 GLN A 70 -11.549 45.296 29.594 1.00 61.12 O +ATOM 589 NE2 GLN A 70 -10.414 44.114 31.133 1.00 58.69 N +ATOM 590 N THR A 71 -11.657 42.017 25.108 1.00 67.29 N +ATOM 591 CA THR A 71 -11.246 42.122 23.709 1.00 72.20 C +ATOM 592 C THR A 71 -11.590 43.527 23.144 1.00 74.43 C +ATOM 593 O THR A 71 -11.875 44.457 23.951 1.00 75.66 O +ATOM 594 CB THR A 71 -11.889 40.981 22.839 1.00 73.32 C +ATOM 595 OG1 THR A 71 -13.319 40.980 22.986 1.00 74.25 O +ATOM 596 CG2 THR A 71 -11.348 39.612 23.264 1.00 75.29 C +TER 597 THR A 71 +END diff --git a/bench/main_benchmark/structures/SFB_OL_CCL2_1DOKA_1DOMA/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_CCL2_1DOKA_1DOMA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..7e341c95c21ef8cdb22da4a5d8d043d9a3dd9290 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_CCL2_1DOKA_1DOMA/state_b.pdb @@ -0,0 +1,1228 @@ +ATOM 1 N GLN A 1 63.870 -23.035 -4.001 1.00 2.09 N +ATOM 2 CA GLN A 1 65.000 -22.112 -3.695 1.00 1.89 C +ATOM 3 C GLN A 1 64.534 -20.647 -3.880 1.00 1.67 C +ATOM 4 O GLN A 1 63.676 -20.384 -4.699 1.00 1.56 O +ATOM 5 CB GLN A 1 66.166 -22.402 -4.643 1.00 2.25 C +ATOM 6 CG GLN A 1 65.643 -22.517 -6.076 1.00 2.89 C +ATOM 7 CD GLN A 1 65.688 -23.981 -6.520 1.00 3.72 C +ATOM 8 OE1 GLN A 1 64.714 -24.506 -7.023 1.00 4.02 O +ATOM 9 NE2 GLN A 1 66.785 -24.667 -6.354 1.00 4.52 N +ATOM 10 H1 GLN A 1 63.201 -22.563 -4.643 1.00 2.54 H +ATOM 11 H2 GLN A 1 64.238 -23.895 -4.454 1.00 2.45 H +ATOM 12 H3 GLN A 1 63.383 -23.291 -3.119 1.00 2.36 H +ATOM 13 HA GLN A 1 65.320 -22.261 -2.674 1.00 2.52 H +ATOM 14 HB2 GLN A 1 66.884 -21.598 -4.587 1.00 2.50 H +ATOM 15 HB3 GLN A 1 66.640 -23.330 -4.356 1.00 2.70 H +ATOM 16 HG2 GLN A 1 64.625 -22.161 -6.118 1.00 3.35 H +ATOM 17 HG3 GLN A 1 66.261 -21.922 -6.734 1.00 2.97 H +ATOM 18 HE21 GLN A 1 67.571 -24.244 -5.949 1.00 4.64 H +ATOM 19 HE22 GLN A 1 66.824 -25.605 -6.635 1.00 5.20 H +ATOM 20 N PRO A 2 65.114 -19.721 -3.104 1.00 1.75 N +ATOM 21 CA PRO A 2 64.742 -18.307 -3.199 1.00 1.61 C +ATOM 22 C PRO A 2 65.037 -17.773 -4.602 1.00 1.23 C +ATOM 23 O PRO A 2 66.141 -17.363 -4.900 1.00 1.44 O +ATOM 24 CB PRO A 2 65.617 -17.587 -2.156 1.00 1.86 C +ATOM 25 CG PRO A 2 66.510 -18.667 -1.467 1.00 2.23 C +ATOM 26 CD PRO A 2 66.160 -20.024 -2.102 1.00 2.13 C +ATOM 27 HA PRO A 2 63.701 -18.176 -2.959 1.00 1.79 H +ATOM 28 HB2 PRO A 2 66.242 -16.855 -2.643 1.00 1.71 H +ATOM 29 HB3 PRO A 2 64.988 -17.103 -1.420 1.00 2.07 H +ATOM 30 HG2 PRO A 2 67.552 -18.443 -1.635 1.00 2.31 H +ATOM 31 HG3 PRO A 2 66.304 -18.691 -0.406 1.00 2.58 H +ATOM 32 HD2 PRO A 2 67.027 -20.447 -2.585 1.00 2.13 H +ATOM 33 HD3 PRO A 2 65.778 -20.702 -1.351 1.00 2.43 H +ATOM 34 N ASP A 3 64.061 -17.788 -5.472 1.00 1.14 N +ATOM 35 CA ASP A 3 64.281 -17.303 -6.835 1.00 1.06 C +ATOM 36 C ASP A 3 64.016 -15.795 -6.899 1.00 1.08 C +ATOM 37 O ASP A 3 63.302 -15.316 -7.758 1.00 1.77 O +ATOM 38 CB ASP A 3 63.344 -18.029 -7.808 1.00 1.46 C +ATOM 39 CG ASP A 3 63.322 -19.529 -7.492 1.00 2.01 C +ATOM 40 OD1 ASP A 3 64.201 -20.227 -7.969 1.00 2.52 O +ATOM 41 OD2 ASP A 3 62.426 -19.951 -6.779 1.00 2.57 O +ATOM 42 H ASP A 3 63.213 -18.128 -5.231 1.00 1.45 H +ATOM 43 HA ASP A 3 65.277 -17.498 -7.097 1.00 0.99 H +ATOM 44 HB2 ASP A 3 62.347 -17.628 -7.711 1.00 1.92 H +ATOM 45 HB3 ASP A 3 63.694 -17.880 -8.819 1.00 1.81 H +ATOM 46 N ALA A 4 64.590 -15.048 -6.002 1.00 0.60 N +ATOM 47 CA ALA A 4 64.383 -13.573 -6.007 1.00 0.58 C +ATOM 48 C ALA A 4 65.404 -12.929 -5.082 1.00 0.53 C +ATOM 49 O ALA A 4 65.062 -12.340 -4.075 1.00 0.57 O +ATOM 50 CB ALA A 4 62.976 -13.243 -5.511 1.00 0.67 C +ATOM 51 H ALA A 4 65.165 -15.455 -5.326 1.00 0.79 H +ATOM 52 HA ALA A 4 64.512 -13.192 -7.010 1.00 0.60 H +ATOM 53 HB1 ALA A 4 62.290 -14.007 -5.839 1.00 1.24 H +ATOM 54 HB2 ALA A 4 62.977 -13.197 -4.432 1.00 1.11 H +ATOM 55 HB3 ALA A 4 62.669 -12.287 -5.911 1.00 1.24 H +ATOM 56 N ILE A 5 66.656 -13.039 -5.407 1.00 0.49 N +ATOM 57 CA ILE A 5 67.697 -12.440 -4.543 1.00 0.48 C +ATOM 58 C ILE A 5 68.054 -11.041 -5.033 1.00 0.45 C +ATOM 59 O ILE A 5 68.696 -10.291 -4.326 1.00 0.44 O +ATOM 60 CB ILE A 5 68.939 -13.324 -4.548 1.00 0.51 C +ATOM 61 CG1 ILE A 5 68.617 -14.660 -3.883 1.00 0.78 C +ATOM 62 CG2 ILE A 5 70.050 -12.633 -3.782 1.00 0.77 C +ATOM 63 CD1 ILE A 5 69.175 -15.796 -4.733 1.00 1.37 C +ATOM 64 H ILE A 5 66.911 -13.513 -6.219 1.00 0.51 H +ATOM 65 HA ILE A 5 67.325 -12.366 -3.552 1.00 0.49 H +ATOM 66 HB ILE A 5 69.258 -13.489 -5.562 1.00 0.59 H +ATOM 67 HG12 ILE A 5 69.066 -14.691 -2.902 1.00 1.43 H +ATOM 68 HG13 ILE A 5 67.546 -14.768 -3.794 1.00 1.39 H +ATOM 69 HG21 ILE A 5 69.617 -11.864 -3.147 1.00 1.24 H +ATOM 70 HG22 ILE A 5 70.572 -13.339 -3.187 1.00 1.33 H +ATOM 71 HG23 ILE A 5 70.721 -12.175 -4.490 1.00 1.37 H +ATOM 72 HD11 ILE A 5 70.103 -15.482 -5.188 1.00 2.00 H +ATOM 73 HD12 ILE A 5 69.353 -16.658 -4.109 1.00 1.87 H +ATOM 74 HD13 ILE A 5 68.464 -16.050 -5.505 1.00 1.91 H +ATOM 75 N ASN A 6 67.654 -10.687 -6.197 1.00 0.47 N +ATOM 76 CA ASN A 6 67.946 -9.332 -6.677 1.00 0.47 C +ATOM 77 C ASN A 6 66.780 -8.492 -6.251 1.00 0.45 C +ATOM 78 O ASN A 6 65.989 -8.080 -7.045 1.00 0.48 O +ATOM 79 CB ASN A 6 68.111 -9.240 -8.224 1.00 0.52 C +ATOM 80 CG ASN A 6 67.908 -10.603 -8.917 1.00 0.55 C +ATOM 81 OD1 ASN A 6 68.856 -11.226 -9.348 1.00 0.58 O +ATOM 82 ND2 ASN A 6 66.702 -11.102 -9.000 1.00 0.56 N +ATOM 83 H ASN A 6 67.145 -11.279 -6.722 1.00 0.50 H +ATOM 84 HA ASN A 6 68.846 -8.973 -6.197 1.00 0.46 H +ATOM 85 HB2 ASN A 6 67.399 -8.534 -8.614 1.00 0.53 H +ATOM 86 HB3 ASN A 6 69.100 -8.879 -8.442 1.00 0.54 H +ATOM 87 HD21 ASN A 6 65.951 -10.626 -8.600 1.00 0.55 H +ATOM 88 HD22 ASN A 6 66.542 -11.923 -9.509 1.00 0.58 H +ATOM 89 N ALA A 7 66.588 -8.369 -4.981 1.00 0.42 N +ATOM 90 CA ALA A 7 65.426 -7.630 -4.476 1.00 0.43 C +ATOM 91 C ALA A 7 65.852 -6.325 -3.800 1.00 0.40 C +ATOM 92 O ALA A 7 66.824 -6.313 -3.072 1.00 0.38 O +ATOM 93 CB ALA A 7 64.708 -8.455 -3.416 1.00 0.43 C +ATOM 94 H ALA A 7 67.147 -8.840 -4.377 1.00 0.41 H +ATOM 95 HA ALA A 7 64.781 -7.427 -5.284 1.00 0.47 H +ATOM 96 HB1 ALA A 7 65.440 -9.000 -2.832 1.00 1.07 H +ATOM 97 HB2 ALA A 7 64.157 -7.787 -2.759 1.00 1.03 H +ATOM 98 HB3 ALA A 7 64.033 -9.139 -3.882 1.00 1.05 H +ATOM 99 N PRO A 8 65.031 -5.279 -3.937 1.00 0.42 N +ATOM 100 CA PRO A 8 65.268 -4.063 -3.205 1.00 0.40 C +ATOM 101 C PRO A 8 64.881 -4.340 -1.780 1.00 0.37 C +ATOM 102 O PRO A 8 63.714 -4.480 -1.458 1.00 0.41 O +ATOM 103 CB PRO A 8 64.345 -3.027 -3.811 1.00 0.47 C +ATOM 104 CG PRO A 8 63.378 -3.786 -4.772 1.00 0.51 C +ATOM 105 CD PRO A 8 63.864 -5.240 -4.838 1.00 0.48 C +ATOM 106 HA PRO A 8 66.296 -3.756 -3.281 1.00 0.39 H +ATOM 107 HB2 PRO A 8 63.780 -2.535 -3.036 1.00 0.49 H +ATOM 108 HB3 PRO A 8 64.932 -2.311 -4.354 1.00 0.49 H +ATOM 109 HG2 PRO A 8 62.374 -3.755 -4.383 1.00 0.54 H +ATOM 110 HG3 PRO A 8 63.407 -3.345 -5.751 1.00 0.55 H +ATOM 111 HD2 PRO A 8 63.097 -5.911 -4.485 1.00 0.49 H +ATOM 112 HD3 PRO A 8 64.156 -5.495 -5.848 1.00 0.50 H +ATOM 113 N VAL A 9 65.831 -4.514 -0.947 1.00 0.31 N +ATOM 114 CA VAL A 9 65.534 -4.893 0.441 1.00 0.30 C +ATOM 115 C VAL A 9 65.343 -3.620 1.291 1.00 0.28 C +ATOM 116 O VAL A 9 66.289 -3.005 1.746 1.00 0.35 O +ATOM 117 CB VAL A 9 66.723 -5.693 0.941 1.00 0.30 C +ATOM 118 CG1 VAL A 9 67.958 -4.834 0.818 1.00 0.30 C +ATOM 119 CG2 VAL A 9 66.504 -6.112 2.375 1.00 0.32 C +ATOM 120 H VAL A 9 66.768 -4.460 -1.252 1.00 0.29 H +ATOM 121 HA VAL A 9 64.646 -5.497 0.473 1.00 0.32 H +ATOM 122 HB VAL A 9 66.861 -6.574 0.341 1.00 0.32 H +ATOM 123 HG11 VAL A 9 67.709 -3.891 0.359 1.00 1.02 H +ATOM 124 HG12 VAL A 9 68.371 -4.665 1.796 1.00 0.97 H +ATOM 125 HG13 VAL A 9 68.676 -5.348 0.206 1.00 1.07 H +ATOM 126 HG21 VAL A 9 65.774 -5.466 2.827 1.00 1.10 H +ATOM 127 HG22 VAL A 9 66.151 -7.132 2.398 1.00 1.08 H +ATOM 128 HG23 VAL A 9 67.436 -6.042 2.914 1.00 1.02 H +ATOM 129 N THR A 10 64.127 -3.204 1.486 1.00 0.24 N +ATOM 130 CA THR A 10 63.894 -1.969 2.278 1.00 0.22 C +ATOM 131 C THR A 10 64.513 -2.125 3.665 1.00 0.20 C +ATOM 132 O THR A 10 64.018 -2.862 4.495 1.00 0.22 O +ATOM 133 CB THR A 10 62.401 -1.716 2.414 1.00 0.26 C +ATOM 134 OG1 THR A 10 61.756 -2.001 1.179 1.00 0.36 O +ATOM 135 CG2 THR A 10 62.181 -0.256 2.783 1.00 0.23 C +ATOM 136 H THR A 10 63.371 -3.693 1.100 1.00 0.25 H +ATOM 137 HA THR A 10 64.353 -1.133 1.776 1.00 0.22 H +ATOM 138 HB THR A 10 61.995 -2.347 3.189 1.00 0.31 H +ATOM 139 HG1 THR A 10 60.844 -2.235 1.368 1.00 0.77 H +ATOM 140 HG21 THR A 10 63.050 0.320 2.494 1.00 1.06 H +ATOM 141 HG22 THR A 10 61.313 0.119 2.266 1.00 0.97 H +ATOM 142 HG23 THR A 10 62.033 -0.173 3.848 1.00 1.06 H +ATOM 143 N CYS A 11 65.587 -1.427 3.935 1.00 0.18 N +ATOM 144 CA CYS A 11 66.218 -1.540 5.290 1.00 0.18 C +ATOM 145 C CYS A 11 66.522 -0.158 5.851 1.00 0.19 C +ATOM 146 O CYS A 11 66.058 0.849 5.355 1.00 0.35 O +ATOM 147 CB CYS A 11 67.522 -2.323 5.219 1.00 0.19 C +ATOM 148 SG CYS A 11 67.263 -3.831 4.294 1.00 0.18 S +ATOM 149 H CYS A 11 65.968 -0.825 3.254 1.00 0.18 H +ATOM 150 HA CYS A 11 65.542 -2.053 5.943 1.00 0.20 H +ATOM 151 HB2 CYS A 11 68.278 -1.726 4.737 1.00 0.21 H +ATOM 152 HB3 CYS A 11 67.846 -2.570 6.219 1.00 0.22 H +ATOM 153 N CYS A 12 67.308 -0.112 6.889 1.00 0.13 N +ATOM 154 CA CYS A 12 67.668 1.192 7.512 1.00 0.13 C +ATOM 155 C CYS A 12 69.182 1.276 7.708 1.00 0.17 C +ATOM 156 O CYS A 12 69.929 0.414 7.293 1.00 0.27 O +ATOM 157 CB CYS A 12 67.019 1.297 8.891 1.00 0.13 C +ATOM 158 SG CYS A 12 65.282 0.856 8.792 1.00 0.17 S +ATOM 159 H CYS A 12 67.654 -0.941 7.267 1.00 0.22 H +ATOM 160 HA CYS A 12 67.326 2.009 6.882 1.00 0.13 H +ATOM 161 HB2 CYS A 12 67.521 0.626 9.574 1.00 0.19 H +ATOM 162 HB3 CYS A 12 67.111 2.309 9.254 1.00 0.16 H +ATOM 163 N TYR A 13 69.615 2.284 8.408 1.00 0.16 N +ATOM 164 CA TYR A 13 71.070 2.431 8.733 1.00 0.19 C +ATOM 165 C TYR A 13 71.201 2.989 10.159 1.00 0.18 C +ATOM 166 O TYR A 13 72.031 2.558 10.934 1.00 0.29 O +ATOM 167 CB TYR A 13 71.747 3.404 7.757 1.00 0.30 C +ATOM 168 CG TYR A 13 71.848 2.779 6.387 1.00 0.26 C +ATOM 169 CD1 TYR A 13 72.186 1.385 6.239 1.00 0.51 C +ATOM 170 CD2 TYR A 13 71.587 3.576 5.226 1.00 0.54 C +ATOM 171 CE1 TYR A 13 72.250 0.800 4.936 1.00 0.80 C +ATOM 172 CE2 TYR A 13 71.658 2.988 3.927 1.00 0.81 C +ATOM 173 CZ TYR A 13 71.979 1.597 3.780 1.00 0.91 C +ATOM 174 OH TYR A 13 72.026 1.028 2.528 1.00 1.25 O +ATOM 175 H TYR A 13 68.973 2.922 8.765 1.00 0.19 H +ATOM 176 HA TYR A 13 71.550 1.466 8.677 1.00 0.23 H +ATOM 177 HB2 TYR A 13 71.163 4.310 7.694 1.00 0.54 H +ATOM 178 HB3 TYR A 13 72.737 3.640 8.116 1.00 0.55 H +ATOM 179 HD1 TYR A 13 72.386 0.783 7.100 1.00 0.64 H +ATOM 180 HD2 TYR A 13 71.339 4.623 5.329 1.00 0.68 H +ATOM 181 HE1 TYR A 13 72.490 -0.244 4.826 1.00 1.04 H +ATOM 182 HE2 TYR A 13 71.395 3.572 3.067 1.00 1.06 H +ATOM 183 HH TYR A 13 71.512 1.578 1.932 1.00 1.42 H +ATOM 184 N ASN A 14 70.374 3.948 10.507 1.00 0.18 N +ATOM 185 CA ASN A 14 70.428 4.538 11.867 1.00 0.16 C +ATOM 186 C ASN A 14 69.068 4.355 12.525 1.00 0.16 C +ATOM 187 O ASN A 14 68.180 3.747 11.958 1.00 0.22 O +ATOM 188 CB ASN A 14 70.741 6.030 11.749 1.00 0.22 C +ATOM 189 CG ASN A 14 72.064 6.208 11.016 1.00 0.18 C +ATOM 190 OD1 ASN A 14 73.121 6.045 11.591 1.00 0.24 O +ATOM 191 ND2 ASN A 14 72.049 6.538 9.760 1.00 0.22 N +ATOM 192 H ASN A 14 69.709 4.276 9.870 1.00 0.28 H +ATOM 193 HA ASN A 14 71.190 4.047 12.453 1.00 0.16 H +ATOM 194 HB2 ASN A 14 69.957 6.517 11.191 1.00 0.29 H +ATOM 195 HB3 ASN A 14 70.809 6.470 12.729 1.00 0.31 H +ATOM 196 HD21 ASN A 14 71.199 6.665 9.301 1.00 0.30 H +ATOM 197 HD22 ASN A 14 72.879 6.693 9.289 1.00 0.24 H +ATOM 198 N PHE A 15 68.877 4.881 13.704 1.00 0.14 N +ATOM 199 CA PHE A 15 67.552 4.731 14.358 1.00 0.13 C +ATOM 200 C PHE A 15 67.248 5.947 15.235 1.00 0.14 C +ATOM 201 O PHE A 15 67.960 6.235 16.177 1.00 0.14 O +ATOM 202 CB PHE A 15 67.534 3.467 15.231 1.00 0.15 C +ATOM 203 CG PHE A 15 67.747 2.241 14.370 1.00 0.18 C +ATOM 204 CD1 PHE A 15 66.804 1.912 13.336 1.00 0.40 C +ATOM 205 CD2 PHE A 15 68.890 1.401 14.591 1.00 0.35 C +ATOM 206 CE1 PHE A 15 67.008 0.745 12.525 1.00 0.43 C +ATOM 207 CE2 PHE A 15 69.092 0.235 13.779 1.00 0.37 C +ATOM 208 CZ PHE A 15 68.152 -0.093 12.746 1.00 0.27 C +ATOM 209 H PHE A 15 69.596 5.380 14.146 1.00 0.16 H +ATOM 210 HA PHE A 15 66.802 4.646 13.600 1.00 0.14 H +ATOM 211 HB2 PHE A 15 68.316 3.527 15.970 1.00 0.17 H +ATOM 212 HB3 PHE A 15 66.578 3.391 15.728 1.00 0.15 H +ATOM 213 HD1 PHE A 15 65.942 2.539 13.171 1.00 0.62 H +ATOM 214 HD2 PHE A 15 69.595 1.643 15.369 1.00 0.56 H +ATOM 215 HE1 PHE A 15 66.300 0.498 11.748 1.00 0.66 H +ATOM 216 HE2 PHE A 15 69.953 -0.396 13.945 1.00 0.58 H +ATOM 217 HZ PHE A 15 68.304 -0.970 12.136 1.00 0.31 H +ATOM 218 N THR A 16 66.153 6.641 14.954 1.00 0.13 N +ATOM 219 CA THR A 16 65.736 7.830 15.819 1.00 0.14 C +ATOM 220 C THR A 16 65.852 7.420 17.295 1.00 0.15 C +ATOM 221 O THR A 16 65.087 6.619 17.776 1.00 0.17 O +ATOM 222 CB THR A 16 64.250 8.273 15.511 1.00 0.14 C +ATOM 223 OG1 THR A 16 63.618 8.717 16.709 1.00 0.16 O +ATOM 224 CG2 THR A 16 63.441 7.115 14.923 1.00 0.14 C +ATOM 225 H THR A 16 65.600 6.367 14.210 1.00 0.14 H +ATOM 226 HA THR A 16 66.390 8.660 15.626 1.00 0.14 H +ATOM 227 HB THR A 16 64.259 9.088 14.805 1.00 0.14 H +ATOM 228 HG1 THR A 16 63.930 9.606 16.897 1.00 0.42 H +ATOM 229 HG21 THR A 16 63.609 6.226 15.507 1.00 1.01 H +ATOM 230 HG22 THR A 16 62.394 7.366 14.935 1.00 1.03 H +ATOM 231 HG23 THR A 16 63.758 6.941 13.902 1.00 1.03 H +ATOM 232 N ASN A 17 66.827 7.922 17.997 1.00 0.16 N +ATOM 233 CA ASN A 17 66.981 7.515 19.419 1.00 0.18 C +ATOM 234 C ASN A 17 66.469 8.621 20.337 1.00 0.20 C +ATOM 235 O ASN A 17 66.759 8.644 21.516 1.00 0.24 O +ATOM 236 CB ASN A 17 68.454 7.232 19.720 1.00 0.21 C +ATOM 237 CG ASN A 17 68.586 6.656 21.131 1.00 1.13 C +ATOM 238 OD1 ASN A 17 67.685 6.004 21.620 1.00 1.89 O +ATOM 239 ND2 ASN A 17 69.679 6.871 21.810 1.00 1.85 N +ATOM 240 H ASN A 17 67.465 8.543 17.587 1.00 0.18 H +ATOM 241 HA ASN A 17 66.394 6.620 19.589 1.00 0.18 H +ATOM 242 HB2 ASN A 17 68.837 6.520 19.005 1.00 0.87 H +ATOM 243 HB3 ASN A 17 69.018 8.151 19.651 1.00 0.97 H +ATOM 244 HD21 ASN A 17 70.406 7.397 21.416 1.00 2.05 H +ATOM 245 HD22 ASN A 17 69.773 6.507 22.715 1.00 2.52 H +ATOM 246 N ARG A 18 65.667 9.504 19.822 1.00 0.21 N +ATOM 247 CA ARG A 18 65.089 10.561 20.677 1.00 0.23 C +ATOM 248 C ARG A 18 63.612 10.259 20.839 1.00 0.25 C +ATOM 249 O ARG A 18 62.947 9.908 19.889 1.00 0.38 O +ATOM 250 CB ARG A 18 65.272 11.926 20.011 1.00 0.26 C +ATOM 251 CG ARG A 18 66.680 12.450 20.299 1.00 0.67 C +ATOM 252 CD ARG A 18 67.009 13.588 19.332 1.00 0.92 C +ATOM 253 NE ARG A 18 66.628 14.894 19.950 1.00 1.62 N +ATOM 254 CZ ARG A 18 66.541 15.991 19.219 1.00 2.13 C +ATOM 255 NH1 ARG A 18 66.789 15.969 17.926 1.00 2.51 N +ATOM 256 NH2 ARG A 18 66.204 17.116 19.788 1.00 2.81 N +ATOM 257 H ARG A 18 65.406 9.445 18.880 1.00 0.21 H +ATOM 258 HA ARG A 18 65.573 10.555 21.643 1.00 0.25 H +ATOM 259 HB2 ARG A 18 65.137 11.827 18.945 1.00 0.51 H +ATOM 260 HB3 ARG A 18 64.541 12.618 20.405 1.00 0.59 H +ATOM 261 HG2 ARG A 18 66.727 12.817 21.313 1.00 1.10 H +ATOM 262 HG3 ARG A 18 67.395 11.650 20.172 1.00 1.00 H +ATOM 263 HD2 ARG A 18 68.068 13.585 19.120 1.00 1.39 H +ATOM 264 HD3 ARG A 18 66.458 13.450 18.413 1.00 1.16 H +ATOM 265 HE ARG A 18 66.440 14.938 20.911 1.00 2.19 H +ATOM 266 HH11 ARG A 18 67.049 15.118 17.474 1.00 2.48 H +ATOM 267 HH12 ARG A 18 66.716 16.811 17.392 1.00 3.16 H +ATOM 268 HH21 ARG A 18 66.014 17.143 20.769 1.00 3.01 H +ATOM 269 HH22 ARG A 18 66.134 17.951 19.242 1.00 3.38 H +ATOM 270 N LYS A 19 63.091 10.354 22.030 1.00 0.25 N +ATOM 271 CA LYS A 19 61.647 10.034 22.232 1.00 0.25 C +ATOM 272 C LYS A 19 60.802 10.887 21.288 1.00 0.26 C +ATOM 273 O LYS A 19 60.443 12.007 21.592 1.00 0.35 O +ATOM 274 CB LYS A 19 61.249 10.315 23.683 1.00 0.27 C +ATOM 275 CG LYS A 19 62.311 9.745 24.626 1.00 0.68 C +ATOM 276 CD LYS A 19 61.712 9.574 26.023 1.00 0.62 C +ATOM 277 CE LYS A 19 62.434 8.439 26.752 1.00 1.09 C +ATOM 278 NZ LYS A 19 62.372 8.675 28.223 1.00 1.69 N +ATOM 279 H LYS A 19 63.649 10.615 22.790 1.00 0.36 H +ATOM 280 HA LYS A 19 61.479 8.987 22.008 1.00 0.23 H +ATOM 281 HB2 LYS A 19 61.170 11.380 23.834 1.00 0.50 H +ATOM 282 HB3 LYS A 19 60.296 9.849 23.891 1.00 0.48 H +ATOM 283 HG2 LYS A 19 62.642 8.786 24.257 1.00 1.24 H +ATOM 284 HG3 LYS A 19 63.151 10.423 24.674 1.00 1.24 H +ATOM 285 HD2 LYS A 19 61.830 10.491 26.580 1.00 1.11 H +ATOM 286 HD3 LYS A 19 60.661 9.336 25.938 1.00 1.21 H +ATOM 287 HE2 LYS A 19 61.957 7.499 26.518 1.00 1.45 H +ATOM 288 HE3 LYS A 19 63.466 8.408 26.436 1.00 1.61 H +ATOM 289 HZ1 LYS A 19 61.470 9.136 28.462 1.00 1.97 H +ATOM 290 HZ2 LYS A 19 62.440 7.767 28.723 1.00 2.15 H +ATOM 291 HZ3 LYS A 19 63.161 9.287 28.509 1.00 2.22 H +ATOM 292 N ILE A 20 60.488 10.358 20.144 1.00 0.27 N +ATOM 293 CA ILE A 20 59.691 11.094 19.182 1.00 0.27 C +ATOM 294 C ILE A 20 58.247 11.035 19.631 1.00 0.25 C +ATOM 295 O ILE A 20 57.670 9.984 19.827 1.00 0.27 O +ATOM 296 CB ILE A 20 59.905 10.482 17.753 1.00 0.28 C +ATOM 297 CG1 ILE A 20 61.048 11.259 17.068 1.00 0.37 C +ATOM 298 CG2 ILE A 20 58.622 10.560 16.865 1.00 0.22 C +ATOM 299 CD1 ILE A 20 61.177 10.818 15.612 1.00 0.21 C +ATOM 300 H ILE A 20 60.777 9.481 19.933 1.00 0.34 H +ATOM 301 HA ILE A 20 60.013 12.125 19.171 1.00 0.27 H +ATOM 302 HB ILE A 20 60.193 9.459 17.854 1.00 0.38 H +ATOM 303 HG12 ILE A 20 60.834 12.317 17.104 1.00 0.47 H +ATOM 304 HG13 ILE A 20 61.976 11.063 17.586 1.00 0.58 H +ATOM 305 HG21 ILE A 20 58.304 11.585 16.784 1.00 1.06 H +ATOM 306 HG22 ILE A 20 58.851 10.173 15.881 1.00 0.97 H +ATOM 307 HG23 ILE A 20 57.842 9.969 17.310 1.00 1.07 H +ATOM 308 HD11 ILE A 20 60.768 9.815 15.504 1.00 1.02 H +ATOM 309 HD12 ILE A 20 60.618 11.497 14.979 1.00 1.03 H +ATOM 310 HD13 ILE A 20 62.207 10.818 15.320 1.00 1.01 H +ATOM 311 N SER A 21 57.680 12.162 19.766 1.00 0.23 N +ATOM 312 CA SER A 21 56.254 12.286 20.173 1.00 0.22 C +ATOM 313 C SER A 21 55.375 11.279 19.407 1.00 0.22 C +ATOM 314 O SER A 21 55.372 11.243 18.194 1.00 0.26 O +ATOM 315 CB SER A 21 55.800 13.691 19.827 1.00 0.22 C +ATOM 316 OG SER A 21 54.947 14.184 20.852 1.00 0.25 O +ATOM 317 H SER A 21 58.200 12.961 19.588 1.00 0.24 H +ATOM 318 HA SER A 21 56.159 12.123 21.235 1.00 0.24 H +ATOM 319 HB2 SER A 21 56.672 14.331 19.728 1.00 0.24 H +ATOM 320 HB3 SER A 21 55.267 13.671 18.891 1.00 0.22 H +ATOM 321 HG SER A 21 55.423 14.868 21.330 1.00 0.85 H +ATOM 322 N VAL A 22 54.623 10.473 20.109 1.00 0.25 N +ATOM 323 CA VAL A 22 53.745 9.499 19.429 1.00 0.32 C +ATOM 324 C VAL A 22 52.824 10.241 18.442 1.00 0.28 C +ATOM 325 O VAL A 22 52.308 9.666 17.504 1.00 0.34 O +ATOM 326 CB VAL A 22 52.899 8.762 20.470 1.00 0.40 C +ATOM 327 CG1 VAL A 22 52.072 9.774 21.265 1.00 0.27 C +ATOM 328 CG2 VAL A 22 51.964 7.780 19.765 1.00 0.72 C +ATOM 329 H VAL A 22 54.636 10.513 21.072 1.00 0.28 H +ATOM 330 HA VAL A 22 54.350 8.798 18.902 1.00 0.36 H +ATOM 331 HB VAL A 22 53.550 8.221 21.144 1.00 0.50 H +ATOM 332 HG11 VAL A 22 51.592 10.461 20.584 1.00 1.04 H +ATOM 333 HG12 VAL A 22 51.320 9.252 21.838 1.00 1.01 H +ATOM 334 HG13 VAL A 22 52.718 10.322 21.934 1.00 0.94 H +ATOM 335 HG21 VAL A 22 52.480 7.325 18.933 1.00 1.16 H +ATOM 336 HG22 VAL A 22 51.656 7.014 20.461 1.00 1.34 H +ATOM 337 HG23 VAL A 22 51.094 8.309 19.404 1.00 1.35 H +ATOM 338 N GLN A 23 52.638 11.521 18.644 1.00 0.23 N +ATOM 339 CA GLN A 23 51.806 12.305 17.755 1.00 0.27 C +ATOM 340 C GLN A 23 52.503 12.364 16.416 1.00 0.25 C +ATOM 341 O GLN A 23 51.921 12.148 15.372 1.00 0.35 O +ATOM 342 CB GLN A 23 51.612 13.719 18.408 1.00 0.28 C +ATOM 343 CG GLN A 23 52.229 14.901 17.586 1.00 0.51 C +ATOM 344 CD GLN A 23 51.598 16.220 18.034 1.00 0.52 C +ATOM 345 OE1 GLN A 23 50.460 16.249 18.461 1.00 1.06 O +ATOM 346 NE2 GLN A 23 52.293 17.322 17.956 1.00 1.36 N +ATOM 347 H GLN A 23 53.057 11.952 19.362 1.00 0.21 H +ATOM 348 HA GLN A 23 50.880 11.837 17.665 1.00 0.34 H +ATOM 349 HB2 GLN A 23 50.556 13.900 18.547 1.00 0.48 H +ATOM 350 HB3 GLN A 23 52.083 13.691 19.351 1.00 0.43 H +ATOM 351 HG2 GLN A 23 53.298 14.936 17.754 1.00 0.70 H +ATOM 352 HG3 GLN A 23 52.037 14.748 16.533 1.00 0.73 H +ATOM 353 HE21 GLN A 23 53.210 17.300 17.612 1.00 2.15 H +ATOM 354 HE22 GLN A 23 51.897 18.172 18.240 1.00 1.39 H +ATOM 355 N ARG A 24 53.766 12.680 16.454 1.00 0.23 N +ATOM 356 CA ARG A 24 54.543 12.788 15.215 1.00 0.28 C +ATOM 357 C ARG A 24 54.430 11.526 14.430 1.00 0.33 C +ATOM 358 O ARG A 24 54.481 11.525 13.222 1.00 0.68 O +ATOM 359 CB ARG A 24 56.006 13.031 15.541 1.00 0.31 C +ATOM 360 CG ARG A 24 56.144 14.324 16.310 1.00 0.61 C +ATOM 361 CD ARG A 24 55.951 15.500 15.370 1.00 0.32 C +ATOM 362 NE ARG A 24 56.584 16.719 15.959 1.00 0.86 N +ATOM 363 CZ ARG A 24 56.308 17.922 15.487 1.00 1.40 C +ATOM 364 NH1 ARG A 24 55.471 18.084 14.483 1.00 2.01 N +ATOM 365 NH2 ARG A 24 56.875 18.968 16.024 1.00 1.73 N +ATOM 366 H ARG A 24 54.194 12.859 17.315 1.00 0.26 H +ATOM 367 HA ARG A 24 54.178 13.568 14.665 1.00 0.29 H +ATOM 368 HB2 ARG A 24 56.379 12.216 16.141 1.00 0.70 H +ATOM 369 HB3 ARG A 24 56.572 13.095 14.626 1.00 0.69 H +ATOM 370 HG2 ARG A 24 55.400 14.359 17.079 1.00 1.23 H +ATOM 371 HG3 ARG A 24 57.123 14.371 16.747 1.00 1.09 H +ATOM 372 HD2 ARG A 24 56.411 15.277 14.424 1.00 0.58 H +ATOM 373 HD3 ARG A 24 54.897 15.673 15.230 1.00 0.72 H +ATOM 374 HE ARG A 24 57.212 16.626 16.706 1.00 1.31 H +ATOM 375 HH11 ARG A 24 55.029 17.297 14.060 1.00 1.93 H +ATOM 376 HH12 ARG A 24 55.277 19.004 14.143 1.00 2.67 H +ATOM 377 HH21 ARG A 24 57.512 18.855 16.787 1.00 1.63 H +ATOM 378 HH22 ARG A 24 56.673 19.882 15.674 1.00 2.29 H +ATOM 379 N LEU A 25 54.305 10.457 15.112 1.00 0.18 N +ATOM 380 CA LEU A 25 54.240 9.170 14.452 1.00 0.17 C +ATOM 381 C LEU A 25 52.915 8.973 13.786 1.00 0.19 C +ATOM 382 O LEU A 25 51.962 8.509 14.384 1.00 0.41 O +ATOM 383 CB LEU A 25 54.478 8.084 15.464 1.00 0.18 C +ATOM 384 CG LEU A 25 55.837 8.335 16.165 1.00 0.12 C +ATOM 385 CD1 LEU A 25 56.167 7.174 17.076 1.00 0.14 C +ATOM 386 CD2 LEU A 25 56.956 8.482 15.125 1.00 0.12 C +ATOM 387 H LEU A 25 54.288 10.505 16.071 1.00 0.42 H +ATOM 388 HA LEU A 25 55.005 9.135 13.724 1.00 0.17 H +ATOM 389 HB2 LEU A 25 53.688 8.096 16.199 1.00 0.21 H +ATOM 390 HB3 LEU A 25 54.483 7.134 14.958 1.00 0.21 H +ATOM 391 HG LEU A 25 55.773 9.241 16.751 1.00 0.14 H +ATOM 392 HD11 LEU A 25 55.265 6.634 17.307 1.00 1.01 H +ATOM 393 HD12 LEU A 25 56.865 6.519 16.579 1.00 0.99 H +ATOM 394 HD13 LEU A 25 56.609 7.550 17.986 1.00 1.00 H +ATOM 395 HD21 LEU A 25 56.601 8.133 14.171 1.00 1.01 H +ATOM 396 HD22 LEU A 25 57.236 9.519 15.044 1.00 1.03 H +ATOM 397 HD23 LEU A 25 57.813 7.898 15.429 1.00 0.99 H +ATOM 398 N ALA A 26 52.838 9.326 12.550 1.00 0.15 N +ATOM 399 CA ALA A 26 51.577 9.173 11.827 1.00 0.15 C +ATOM 400 C ALA A 26 51.262 7.691 11.590 1.00 0.15 C +ATOM 401 O ALA A 26 50.136 7.319 11.324 1.00 0.17 O +ATOM 402 CB ALA A 26 51.671 9.868 10.480 1.00 0.16 C +ATOM 403 H ALA A 26 53.612 9.716 12.108 1.00 0.30 H +ATOM 404 HA ALA A 26 50.826 9.611 12.405 1.00 0.16 H +ATOM 405 HB1 ALA A 26 52.129 10.832 10.607 1.00 1.03 H +ATOM 406 HB2 ALA A 26 52.276 9.268 9.809 1.00 1.01 H +ATOM 407 HB3 ALA A 26 50.685 9.985 10.065 1.00 1.03 H +ATOM 408 N SER A 27 52.248 6.857 11.649 1.00 0.14 N +ATOM 409 CA SER A 27 52.027 5.399 11.389 1.00 0.16 C +ATOM 410 C SER A 27 53.329 4.639 11.652 1.00 0.14 C +ATOM 411 O SER A 27 54.326 5.224 12.024 1.00 0.14 O +ATOM 412 CB SER A 27 51.603 5.198 9.934 1.00 0.19 C +ATOM 413 OG SER A 27 50.300 4.630 9.896 1.00 1.17 O +ATOM 414 H SER A 27 53.139 7.186 11.848 1.00 0.13 H +ATOM 415 HA SER A 27 51.253 5.028 12.046 1.00 0.19 H +ATOM 416 HB2 SER A 27 51.602 6.153 9.424 1.00 0.95 H +ATOM 417 HB3 SER A 27 52.296 4.533 9.445 1.00 0.89 H +ATOM 418 HG SER A 27 50.198 4.178 9.055 1.00 1.42 H +ATOM 419 N TYR A 28 53.327 3.334 11.506 1.00 0.16 N +ATOM 420 CA TYR A 28 54.572 2.568 11.799 1.00 0.17 C +ATOM 421 C TYR A 28 54.604 1.277 10.914 1.00 0.20 C +ATOM 422 O TYR A 28 53.637 0.545 10.837 1.00 0.30 O +ATOM 423 CB TYR A 28 54.570 2.292 13.346 1.00 0.19 C +ATOM 424 CG TYR A 28 54.620 0.828 13.732 1.00 0.22 C +ATOM 425 CD1 TYR A 28 55.864 0.122 13.701 1.00 0.23 C +ATOM 426 CD2 TYR A 28 53.434 0.182 14.211 1.00 0.38 C +ATOM 427 CE1 TYR A 28 55.927 -1.236 14.145 1.00 0.24 C +ATOM 428 CE2 TYR A 28 53.489 -1.179 14.647 1.00 0.42 C +ATOM 429 CZ TYR A 28 54.737 -1.894 14.619 1.00 0.30 C +ATOM 430 OH TYR A 28 54.795 -3.204 15.048 1.00 0.35 O +ATOM 431 H TYR A 28 52.509 2.867 11.236 1.00 0.17 H +ATOM 432 HA TYR A 28 55.427 3.182 11.552 1.00 0.17 H +ATOM 433 HB2 TYR A 28 55.406 2.813 13.810 1.00 0.20 H +ATOM 434 HB3 TYR A 28 53.659 2.694 13.737 1.00 0.19 H +ATOM 435 HD1 TYR A 28 56.752 0.610 13.339 1.00 0.32 H +ATOM 436 HD2 TYR A 28 52.498 0.718 14.232 1.00 0.49 H +ATOM 437 HE1 TYR A 28 56.866 -1.760 14.132 1.00 0.31 H +ATOM 438 HE2 TYR A 28 52.597 -1.660 15.010 1.00 0.57 H +ATOM 439 HH TYR A 28 54.035 -3.668 14.688 1.00 0.98 H +ATOM 440 N ARG A 29 55.709 1.016 10.245 1.00 0.22 N +ATOM 441 CA ARG A 29 55.793 -0.203 9.367 1.00 0.25 C +ATOM 442 C ARG A 29 57.022 -1.037 9.750 1.00 0.29 C +ATOM 443 O ARG A 29 58.025 -1.002 9.093 1.00 0.65 O +ATOM 444 CB ARG A 29 55.915 0.231 7.908 1.00 0.30 C +ATOM 445 CG ARG A 29 54.571 0.039 7.203 1.00 0.68 C +ATOM 446 CD ARG A 29 54.717 0.393 5.722 1.00 0.83 C +ATOM 447 NE ARG A 29 53.767 -0.432 4.916 1.00 1.31 N +ATOM 448 CZ ARG A 29 53.897 -0.530 3.605 1.00 1.71 C +ATOM 449 NH1 ARG A 29 54.869 0.090 2.969 1.00 2.18 N +ATOM 450 NH2 ARG A 29 53.049 -1.256 2.929 1.00 2.22 N +ATOM 451 H ARG A 29 56.475 1.621 10.313 1.00 0.28 H +ATOM 452 HA ARG A 29 54.907 -0.792 9.490 1.00 0.24 H +ATOM 453 HB2 ARG A 29 56.197 1.270 7.866 1.00 0.47 H +ATOM 454 HB3 ARG A 29 56.668 -0.369 7.419 1.00 0.61 H +ATOM 455 HG2 ARG A 29 54.259 -0.991 7.296 1.00 1.07 H +ATOM 456 HG3 ARG A 29 53.831 0.682 7.657 1.00 1.05 H +ATOM 457 HD2 ARG A 29 54.494 1.441 5.580 1.00 1.31 H +ATOM 458 HD3 ARG A 29 55.729 0.194 5.402 1.00 1.31 H +ATOM 459 HE ARG A 29 53.037 -0.906 5.366 1.00 1.85 H +ATOM 460 HH11 ARG A 29 55.527 0.648 3.470 1.00 2.35 H +ATOM 461 HH12 ARG A 29 54.948 0.002 1.976 1.00 2.68 H +ATOM 462 HH21 ARG A 29 52.308 -1.732 3.403 1.00 2.51 H +ATOM 463 HH22 ARG A 29 53.140 -1.336 1.936 1.00 2.61 H +ATOM 464 N ARG A 30 56.938 -1.765 10.825 1.00 0.27 N +ATOM 465 CA ARG A 30 58.108 -2.586 11.312 1.00 0.25 C +ATOM 466 C ARG A 30 58.865 -3.292 10.164 1.00 0.25 C +ATOM 467 O ARG A 30 58.426 -4.301 9.648 1.00 0.34 O +ATOM 468 CB ARG A 30 57.595 -3.645 12.289 1.00 0.28 C +ATOM 469 CG ARG A 30 58.727 -4.061 13.231 1.00 0.43 C +ATOM 470 CD ARG A 30 58.135 -4.632 14.521 1.00 0.54 C +ATOM 471 NE ARG A 30 59.035 -5.700 15.052 1.00 1.10 N +ATOM 472 CZ ARG A 30 58.616 -6.540 15.983 1.00 1.31 C +ATOM 473 NH1 ARG A 30 57.394 -6.465 16.467 1.00 1.62 N +ATOM 474 NH2 ARG A 30 59.427 -7.461 16.428 1.00 1.77 N +ATOM 475 H ARG A 30 56.109 -1.756 11.342 1.00 0.54 H +ATOM 476 HA ARG A 30 58.790 -1.945 11.830 1.00 0.23 H +ATOM 477 HB2 ARG A 30 56.779 -3.238 12.866 1.00 0.35 H +ATOM 478 HB3 ARG A 30 57.251 -4.507 11.736 1.00 0.40 H +ATOM 479 HG2 ARG A 30 59.335 -4.813 12.752 1.00 0.83 H +ATOM 480 HG3 ARG A 30 59.336 -3.200 13.464 1.00 0.73 H +ATOM 481 HD2 ARG A 30 58.040 -3.844 15.253 1.00 1.06 H +ATOM 482 HD3 ARG A 30 57.161 -5.051 14.315 1.00 1.05 H +ATOM 483 HE ARG A 30 59.949 -5.778 14.707 1.00 1.65 H +ATOM 484 HH11 ARG A 30 56.761 -5.768 16.138 1.00 1.88 H +ATOM 485 HH12 ARG A 30 57.099 -7.111 17.171 1.00 1.90 H +ATOM 486 HH21 ARG A 30 60.357 -7.526 16.065 1.00 2.12 H +ATOM 487 HH22 ARG A 30 59.119 -8.101 17.132 1.00 2.02 H +ATOM 488 N ILE A 31 60.054 -2.812 9.832 1.00 0.24 N +ATOM 489 CA ILE A 31 60.890 -3.510 8.802 1.00 0.26 C +ATOM 490 C ILE A 31 61.387 -4.835 9.422 1.00 0.29 C +ATOM 491 O ILE A 31 61.465 -4.972 10.622 1.00 0.52 O +ATOM 492 CB ILE A 31 62.113 -2.585 8.385 1.00 0.27 C +ATOM 493 CG1 ILE A 31 61.691 -1.699 7.194 1.00 0.36 C +ATOM 494 CG2 ILE A 31 63.366 -3.422 7.962 1.00 0.26 C +ATOM 495 CD1 ILE A 31 62.888 -0.849 6.716 1.00 0.30 C +ATOM 496 H ILE A 31 60.412 -2.035 10.301 1.00 0.28 H +ATOM 497 HA ILE A 31 60.290 -3.721 7.937 1.00 0.29 H +ATOM 498 HB ILE A 31 62.378 -1.954 9.225 1.00 0.33 H +ATOM 499 HG12 ILE A 31 61.355 -2.328 6.383 1.00 0.50 H +ATOM 500 HG13 ILE A 31 60.889 -1.050 7.498 1.00 0.59 H +ATOM 501 HG21 ILE A 31 63.630 -4.102 8.760 1.00 1.00 H +ATOM 502 HG22 ILE A 31 63.138 -3.985 7.070 1.00 1.06 H +ATOM 503 HG23 ILE A 31 64.194 -2.757 7.767 1.00 1.02 H +ATOM 504 HD11 ILE A 31 63.349 -0.375 7.564 1.00 1.06 H +ATOM 505 HD12 ILE A 31 63.611 -1.484 6.225 1.00 0.95 H +ATOM 506 HD13 ILE A 31 62.544 -0.094 6.025 1.00 0.96 H +ATOM 507 N THR A 32 61.771 -5.772 8.595 1.00 0.25 N +ATOM 508 CA THR A 32 62.317 -7.067 9.105 1.00 0.30 C +ATOM 509 C THR A 32 62.523 -8.027 7.936 1.00 0.38 C +ATOM 510 O THR A 32 62.285 -9.214 8.045 1.00 0.65 O +ATOM 511 CB THR A 32 61.358 -7.690 10.114 1.00 0.30 C +ATOM 512 OG1 THR A 32 60.063 -7.130 9.954 1.00 0.56 O +ATOM 513 CG2 THR A 32 61.871 -7.434 11.529 1.00 0.41 C +ATOM 514 H THR A 32 61.732 -5.610 7.630 1.00 0.38 H +ATOM 515 HA THR A 32 63.265 -6.887 9.585 1.00 0.33 H +ATOM 516 HB THR A 32 61.313 -8.746 9.946 1.00 0.36 H +ATOM 517 HG1 THR A 32 59.459 -7.840 9.723 1.00 0.85 H +ATOM 518 HG21 THR A 32 62.605 -6.643 11.504 1.00 1.18 H +ATOM 519 HG22 THR A 32 61.049 -7.142 12.162 1.00 1.08 H +ATOM 520 HG23 THR A 32 62.324 -8.334 11.915 1.00 1.09 H +ATOM 521 N SER A 33 62.979 -7.529 6.822 1.00 0.39 N +ATOM 522 CA SER A 33 63.216 -8.418 5.657 1.00 0.48 C +ATOM 523 C SER A 33 64.377 -9.362 5.981 1.00 0.60 C +ATOM 524 O SER A 33 65.268 -9.025 6.734 1.00 1.24 O +ATOM 525 CB SER A 33 63.562 -7.570 4.429 1.00 0.42 C +ATOM 526 OG SER A 33 64.168 -8.393 3.442 1.00 0.54 O +ATOM 527 H SER A 33 63.178 -6.572 6.757 1.00 0.52 H +ATOM 528 HA SER A 33 62.325 -8.997 5.457 1.00 0.58 H +ATOM 529 HB2 SER A 33 62.657 -7.125 4.031 1.00 0.63 H +ATOM 530 HB3 SER A 33 64.246 -6.789 4.711 1.00 0.49 H +ATOM 531 HG SER A 33 63.704 -8.253 2.613 1.00 0.93 H +ATOM 532 N SER A 34 64.369 -10.545 5.434 1.00 0.59 N +ATOM 533 CA SER A 34 65.471 -11.509 5.725 1.00 0.59 C +ATOM 534 C SER A 34 66.805 -10.975 5.170 1.00 0.41 C +ATOM 535 O SER A 34 67.861 -11.488 5.481 1.00 0.57 O +ATOM 536 CB SER A 34 65.153 -12.854 5.073 1.00 0.85 C +ATOM 537 OG SER A 34 65.189 -13.877 6.060 1.00 1.54 O +ATOM 538 H SER A 34 63.636 -10.804 4.837 1.00 1.05 H +ATOM 539 HA SER A 34 65.556 -11.641 6.794 1.00 0.65 H +ATOM 540 HB2 SER A 34 64.169 -12.812 4.624 1.00 1.47 H +ATOM 541 HB3 SER A 34 65.885 -13.068 4.312 1.00 1.31 H +ATOM 542 HG SER A 34 64.837 -14.679 5.669 1.00 1.85 H +ATOM 543 N LYS A 35 66.766 -9.960 4.344 1.00 0.34 N +ATOM 544 CA LYS A 35 68.029 -9.417 3.770 1.00 0.42 C +ATOM 545 C LYS A 35 68.477 -8.156 4.542 1.00 0.33 C +ATOM 546 O LYS A 35 69.590 -7.694 4.389 1.00 0.38 O +ATOM 547 CB LYS A 35 67.803 -9.081 2.280 1.00 0.74 C +ATOM 548 CG LYS A 35 68.779 -9.882 1.385 1.00 0.39 C +ATOM 549 CD LYS A 35 70.222 -9.731 1.896 1.00 1.48 C +ATOM 550 CE LYS A 35 71.196 -9.858 0.722 1.00 1.69 C +ATOM 551 NZ LYS A 35 71.731 -11.248 0.671 1.00 2.14 N +ATOM 552 H LYS A 35 65.910 -9.562 4.092 1.00 0.47 H +ATOM 553 HA LYS A 35 68.800 -10.161 3.844 1.00 0.51 H +ATOM 554 HB2 LYS A 35 66.790 -9.338 2.011 1.00 1.13 H +ATOM 555 HB3 LYS A 35 67.950 -8.041 2.121 1.00 1.23 H +ATOM 556 HG2 LYS A 35 68.505 -10.922 1.396 1.00 1.14 H +ATOM 557 HG3 LYS A 35 68.722 -9.508 0.370 1.00 0.91 H +ATOM 558 HD2 LYS A 35 70.341 -8.764 2.357 1.00 2.14 H +ATOM 559 HD3 LYS A 35 70.430 -10.504 2.621 1.00 2.07 H +ATOM 560 HE2 LYS A 35 70.679 -9.637 -0.200 1.00 1.81 H +ATOM 561 HE3 LYS A 35 72.011 -9.163 0.854 1.00 1.85 H +ATOM 562 HZ1 LYS A 35 70.968 -11.922 0.879 1.00 2.22 H +ATOM 563 HZ2 LYS A 35 72.112 -11.438 -0.279 1.00 2.54 H +ATOM 564 HZ3 LYS A 35 72.488 -11.355 1.375 1.00 2.58 H +ATOM 565 N CYS A 36 67.630 -7.601 5.378 1.00 0.26 N +ATOM 566 CA CYS A 36 68.036 -6.373 6.144 1.00 0.20 C +ATOM 567 C CYS A 36 68.974 -6.749 7.309 1.00 0.24 C +ATOM 568 O CYS A 36 68.617 -7.562 8.138 1.00 0.32 O +ATOM 569 CB CYS A 36 66.791 -5.664 6.706 1.00 0.18 C +ATOM 570 SG CYS A 36 65.872 -4.852 5.361 1.00 0.19 S +ATOM 571 H CYS A 36 66.738 -7.984 5.500 1.00 0.33 H +ATOM 572 HA CYS A 36 68.549 -5.716 5.496 1.00 0.21 H +ATOM 573 HB2 CYS A 36 66.149 -6.390 7.194 1.00 0.20 H +ATOM 574 HB3 CYS A 36 67.100 -4.920 7.425 1.00 0.19 H +ATOM 575 N PRO A 37 70.163 -6.115 7.360 1.00 0.24 N +ATOM 576 CA PRO A 37 71.109 -6.367 8.428 1.00 0.33 C +ATOM 577 C PRO A 37 70.480 -6.135 9.794 1.00 0.32 C +ATOM 578 O PRO A 37 70.999 -6.569 10.807 1.00 0.36 O +ATOM 579 CB PRO A 37 72.230 -5.341 8.206 1.00 0.38 C +ATOM 580 CG PRO A 37 71.953 -4.603 6.877 1.00 0.32 C +ATOM 581 CD PRO A 37 70.630 -5.126 6.352 1.00 0.23 C +ATOM 582 HA PRO A 37 71.487 -7.346 8.361 1.00 0.37 H +ATOM 583 HB2 PRO A 37 72.208 -4.637 8.991 1.00 0.44 H +ATOM 584 HB3 PRO A 37 73.190 -5.833 8.170 1.00 0.43 H +ATOM 585 HG2 PRO A 37 71.879 -3.535 7.057 1.00 0.38 H +ATOM 586 HG3 PRO A 37 72.742 -4.802 6.170 1.00 0.32 H +ATOM 587 HD2 PRO A 37 69.916 -4.323 6.262 1.00 0.24 H +ATOM 588 HD3 PRO A 37 70.774 -5.610 5.399 1.00 0.22 H +ATOM 589 N LYS A 38 69.417 -5.406 9.840 1.00 0.28 N +ATOM 590 CA LYS A 38 68.808 -5.084 11.127 1.00 0.28 C +ATOM 591 C LYS A 38 67.295 -4.888 11.003 1.00 0.25 C +ATOM 592 O LYS A 38 66.802 -4.341 10.037 1.00 0.29 O +ATOM 593 CB LYS A 38 69.434 -3.792 11.652 1.00 0.28 C +ATOM 594 CG LYS A 38 70.683 -4.118 12.471 1.00 0.37 C +ATOM 595 CD LYS A 38 70.669 -3.310 13.769 1.00 0.87 C +ATOM 596 CE LYS A 38 71.961 -3.568 14.545 1.00 1.25 C +ATOM 597 NZ LYS A 38 72.967 -2.526 14.195 1.00 1.62 N +ATOM 598 H LYS A 38 69.060 -5.055 9.053 1.00 0.26 H +ATOM 599 HA LYS A 38 69.007 -5.868 11.792 1.00 0.30 H +ATOM 600 HB2 LYS A 38 69.707 -3.161 10.816 1.00 0.30 H +ATOM 601 HB3 LYS A 38 68.719 -3.273 12.273 1.00 0.28 H +ATOM 602 HG2 LYS A 38 70.696 -5.171 12.703 1.00 0.69 H +ATOM 603 HG3 LYS A 38 71.564 -3.864 11.898 1.00 0.72 H +ATOM 604 HD2 LYS A 38 70.593 -2.259 13.538 1.00 1.24 H +ATOM 605 HD3 LYS A 38 69.822 -3.610 14.370 1.00 1.33 H +ATOM 606 HE2 LYS A 38 71.758 -3.530 15.606 1.00 1.72 H +ATOM 607 HE3 LYS A 38 72.348 -4.543 14.287 1.00 1.78 H +ATOM 608 HZ1 LYS A 38 72.909 -2.316 13.178 1.00 2.17 H +ATOM 609 HZ2 LYS A 38 72.774 -1.661 14.737 1.00 1.91 H +ATOM 610 HZ3 LYS A 38 73.921 -2.874 14.424 1.00 2.03 H +ATOM 611 N GLU A 39 66.568 -5.259 12.026 1.00 0.22 N +ATOM 612 CA GLU A 39 65.099 -5.019 12.035 1.00 0.21 C +ATOM 613 C GLU A 39 64.876 -3.565 12.462 1.00 0.19 C +ATOM 614 O GLU A 39 65.810 -2.888 12.851 1.00 0.24 O +ATOM 615 CB GLU A 39 64.435 -5.957 13.046 1.00 0.26 C +ATOM 616 CG GLU A 39 64.702 -7.410 12.646 1.00 1.09 C +ATOM 617 CD GLU A 39 64.033 -8.348 13.652 1.00 1.44 C +ATOM 618 OE1 GLU A 39 63.837 -7.931 14.781 1.00 1.59 O +ATOM 619 OE2 GLU A 39 63.728 -9.468 13.276 1.00 2.07 O +ATOM 620 H GLU A 39 67.001 -5.640 12.816 1.00 0.25 H +ATOM 621 HA GLU A 39 64.686 -5.187 11.047 1.00 0.20 H +ATOM 622 HB2 GLU A 39 64.846 -5.776 14.028 1.00 0.79 H +ATOM 623 HB3 GLU A 39 63.371 -5.775 13.062 1.00 0.87 H +ATOM 624 HG2 GLU A 39 64.299 -7.593 11.662 1.00 1.66 H +ATOM 625 HG3 GLU A 39 65.767 -7.591 12.637 1.00 1.66 H +ATOM 626 N ALA A 40 63.671 -3.062 12.386 1.00 0.16 N +ATOM 627 CA ALA A 40 63.455 -1.638 12.785 1.00 0.16 C +ATOM 628 C ALA A 40 61.973 -1.286 12.736 1.00 0.14 C +ATOM 629 O ALA A 40 61.148 -2.076 12.338 1.00 0.19 O +ATOM 630 CB ALA A 40 64.201 -0.738 11.802 1.00 0.18 C +ATOM 631 H ALA A 40 62.924 -3.605 12.055 1.00 0.17 H +ATOM 632 HA ALA A 40 63.838 -1.473 13.782 1.00 0.20 H +ATOM 633 HB1 ALA A 40 65.146 -1.192 11.544 1.00 1.06 H +ATOM 634 HB2 ALA A 40 63.606 -0.614 10.907 1.00 1.02 H +ATOM 635 HB3 ALA A 40 64.375 0.225 12.254 1.00 0.97 H +ATOM 636 N VAL A 41 61.648 -0.071 13.079 1.00 0.16 N +ATOM 637 CA VAL A 41 60.240 0.389 12.972 1.00 0.15 C +ATOM 638 C VAL A 41 60.216 1.522 11.993 1.00 0.14 C +ATOM 639 O VAL A 41 60.908 2.503 12.171 1.00 0.15 O +ATOM 640 CB VAL A 41 59.690 0.868 14.362 1.00 0.14 C +ATOM 641 CG1 VAL A 41 58.619 2.009 14.214 1.00 0.14 C +ATOM 642 CG2 VAL A 41 59.030 -0.302 15.026 1.00 0.17 C +ATOM 643 H VAL A 41 62.343 0.556 13.351 1.00 0.23 H +ATOM 644 HA VAL A 41 59.631 -0.410 12.605 1.00 0.17 H +ATOM 645 HB VAL A 41 60.509 1.217 14.974 1.00 0.16 H +ATOM 646 HG11 VAL A 41 58.158 1.940 13.230 1.00 0.99 H +ATOM 647 HG12 VAL A 41 57.867 1.907 14.969 1.00 1.03 H +ATOM 648 HG13 VAL A 41 59.103 2.967 14.306 1.00 1.01 H +ATOM 649 HG21 VAL A 41 58.638 -0.963 14.266 1.00 0.99 H +ATOM 650 HG22 VAL A 41 59.749 -0.823 15.626 1.00 0.97 H +ATOM 651 HG23 VAL A 41 58.225 0.053 15.644 1.00 0.96 H +ATOM 652 N ILE A 42 59.366 1.457 11.034 1.00 0.18 N +ATOM 653 CA ILE A 42 59.265 2.578 10.123 1.00 0.17 C +ATOM 654 C ILE A 42 58.247 3.566 10.644 1.00 0.13 C +ATOM 655 O ILE A 42 57.164 3.686 10.123 1.00 0.13 O +ATOM 656 CB ILE A 42 58.870 2.117 8.764 1.00 0.22 C +ATOM 657 CG1 ILE A 42 59.759 0.920 8.357 1.00 0.39 C +ATOM 658 CG2 ILE A 42 59.051 3.292 7.816 1.00 0.17 C +ATOM 659 CD1 ILE A 42 61.180 1.378 8.093 1.00 0.66 C +ATOM 660 H ILE A 42 58.767 0.685 10.946 1.00 0.24 H +ATOM 661 HA ILE A 42 60.220 3.053 10.076 1.00 0.17 H +ATOM 662 HB ILE A 42 57.833 1.814 8.772 1.00 0.26 H +ATOM 663 HG12 ILE A 42 59.777 0.207 9.159 1.00 0.92 H +ATOM 664 HG13 ILE A 42 59.359 0.455 7.470 1.00 0.62 H +ATOM 665 HG21 ILE A 42 59.870 3.907 8.174 1.00 0.95 H +ATOM 666 HG22 ILE A 42 59.279 2.928 6.834 1.00 1.01 H +ATOM 667 HG23 ILE A 42 58.148 3.875 7.794 1.00 1.01 H +ATOM 668 HD11 ILE A 42 61.388 2.257 8.680 1.00 1.27 H +ATOM 669 HD12 ILE A 42 61.866 0.596 8.365 1.00 1.34 H +ATOM 670 HD13 ILE A 42 61.281 1.607 7.049 1.00 1.17 H +ATOM 671 N PHE A 43 58.598 4.281 11.669 1.00 0.15 N +ATOM 672 CA PHE A 43 57.672 5.285 12.245 1.00 0.13 C +ATOM 673 C PHE A 43 57.348 6.353 11.190 1.00 0.13 C +ATOM 674 O PHE A 43 57.991 7.379 11.139 1.00 0.14 O +ATOM 675 CB PHE A 43 58.362 5.967 13.423 1.00 0.13 C +ATOM 676 CG PHE A 43 58.142 5.188 14.702 1.00 0.13 C +ATOM 677 CD1 PHE A 43 56.850 4.629 15.020 1.00 0.22 C +ATOM 678 CD2 PHE A 43 59.236 5.009 15.607 1.00 0.14 C +ATOM 679 CE1 PHE A 43 56.673 3.895 16.248 1.00 0.25 C +ATOM 680 CE2 PHE A 43 59.048 4.279 16.824 1.00 0.15 C +ATOM 681 CZ PHE A 43 57.769 3.723 17.141 1.00 0.18 C +ATOM 682 H PHE A 43 59.483 4.159 12.063 1.00 0.20 H +ATOM 683 HA PHE A 43 56.774 4.805 12.575 1.00 0.15 H +ATOM 684 HB2 PHE A 43 59.422 6.027 13.225 1.00 0.12 H +ATOM 685 HB3 PHE A 43 57.973 6.955 13.536 1.00 0.15 H +ATOM 686 HD1 PHE A 43 56.018 4.763 14.348 1.00 0.28 H +ATOM 687 HD2 PHE A 43 60.200 5.427 15.374 1.00 0.20 H +ATOM 688 HE1 PHE A 43 55.721 3.468 16.493 1.00 0.34 H +ATOM 689 HE2 PHE A 43 59.869 4.139 17.493 1.00 0.20 H +ATOM 690 HZ PHE A 43 57.628 3.184 18.061 1.00 0.21 H +ATOM 691 N LYS A 44 56.348 6.148 10.366 1.00 0.15 N +ATOM 692 CA LYS A 44 56.018 7.193 9.355 1.00 0.15 C +ATOM 693 C LYS A 44 55.558 8.420 10.097 1.00 0.14 C +ATOM 694 O LYS A 44 54.453 8.468 10.576 1.00 0.15 O +ATOM 695 CB LYS A 44 54.886 6.708 8.436 1.00 0.17 C +ATOM 696 CG LYS A 44 55.384 6.662 6.990 1.00 0.25 C +ATOM 697 CD LYS A 44 54.304 7.217 6.060 1.00 0.36 C +ATOM 698 CE LYS A 44 54.531 6.688 4.642 1.00 1.30 C +ATOM 699 NZ LYS A 44 53.217 6.381 4.010 1.00 1.74 N +ATOM 700 H LYS A 44 55.811 5.337 10.428 1.00 0.19 H +ATOM 701 HA LYS A 44 56.902 7.430 8.771 1.00 0.15 H +ATOM 702 HB2 LYS A 44 54.565 5.732 8.742 1.00 0.20 H +ATOM 703 HB3 LYS A 44 54.050 7.392 8.501 1.00 0.18 H +ATOM 704 HG2 LYS A 44 56.279 7.259 6.899 1.00 0.31 H +ATOM 705 HG3 LYS A 44 55.604 5.639 6.718 1.00 0.35 H +ATOM 706 HD2 LYS A 44 53.332 6.902 6.408 1.00 0.88 H +ATOM 707 HD3 LYS A 44 54.354 8.296 6.055 1.00 0.71 H +ATOM 708 HE2 LYS A 44 55.046 7.436 4.058 1.00 1.77 H +ATOM 709 HE3 LYS A 44 55.129 5.790 4.685 1.00 1.81 H +ATOM 710 HZ1 LYS A 44 52.536 7.130 4.245 1.00 2.22 H +ATOM 711 HZ2 LYS A 44 53.332 6.330 2.979 1.00 2.02 H +ATOM 712 HZ3 LYS A 44 52.866 5.468 4.366 1.00 2.13 H +ATOM 713 N THR A 45 56.403 9.394 10.235 1.00 0.14 N +ATOM 714 CA THR A 45 56.013 10.601 10.997 1.00 0.15 C +ATOM 715 C THR A 45 54.778 11.273 10.323 1.00 0.16 C +ATOM 716 O THR A 45 54.056 10.640 9.587 1.00 0.16 O +ATOM 717 CB THR A 45 57.212 11.544 11.072 1.00 0.17 C +ATOM 718 OG1 THR A 45 57.913 11.529 9.852 1.00 0.22 O +ATOM 719 CG2 THR A 45 58.117 11.059 12.184 1.00 0.16 C +ATOM 720 H THR A 45 57.306 9.318 9.862 1.00 0.14 H +ATOM 721 HA THR A 45 55.756 10.297 12.000 1.00 0.16 H +ATOM 722 HB THR A 45 56.899 12.536 11.291 1.00 0.22 H +ATOM 723 HG1 THR A 45 58.674 12.096 9.955 1.00 0.72 H +ATOM 724 HG21 THR A 45 57.570 11.062 13.116 1.00 1.01 H +ATOM 725 HG22 THR A 45 58.445 10.055 11.963 1.00 1.05 H +ATOM 726 HG23 THR A 45 58.968 11.710 12.263 1.00 1.03 H +ATOM 727 N ILE A 46 54.547 12.544 10.553 1.00 0.19 N +ATOM 728 CA ILE A 46 53.371 13.227 9.929 1.00 0.21 C +ATOM 729 C ILE A 46 53.772 13.801 8.630 1.00 0.21 C +ATOM 730 O ILE A 46 52.971 13.926 7.717 1.00 0.21 O +ATOM 731 CB ILE A 46 52.872 14.379 10.812 1.00 0.24 C +ATOM 732 CG1 ILE A 46 54.087 15.256 11.298 1.00 0.25 C +ATOM 733 CG2 ILE A 46 52.055 13.819 12.015 1.00 0.26 C +ATOM 734 CD1 ILE A 46 54.655 14.760 12.640 1.00 0.27 C +ATOM 735 H ILE A 46 55.144 13.045 11.084 1.00 0.21 H +ATOM 736 HA ILE A 46 52.585 12.515 9.761 1.00 0.20 H +ATOM 737 HB ILE A 46 52.235 15.005 10.204 1.00 0.26 H +ATOM 738 HG12 ILE A 46 54.865 15.223 10.552 1.00 0.25 H +ATOM 739 HG13 ILE A 46 53.757 16.277 11.414 1.00 0.28 H +ATOM 740 HG21 ILE A 46 52.597 12.993 12.463 1.00 1.02 H +ATOM 741 HG22 ILE A 46 51.924 14.600 12.755 1.00 0.99 H +ATOM 742 HG23 ILE A 46 51.095 13.480 11.676 1.00 1.13 H +ATOM 743 HD11 ILE A 46 54.418 13.705 12.755 1.00 1.07 H +ATOM 744 HD12 ILE A 46 55.720 14.888 12.651 1.00 1.05 H +ATOM 745 HD13 ILE A 46 54.209 15.314 13.448 1.00 0.98 H +ATOM 746 N VAL A 47 55.006 14.131 8.507 1.00 0.21 N +ATOM 747 CA VAL A 47 55.480 14.663 7.272 1.00 0.23 C +ATOM 748 C VAL A 47 55.943 13.509 6.380 1.00 0.22 C +ATOM 749 O VAL A 47 56.572 13.714 5.361 1.00 0.24 O +ATOM 750 CB VAL A 47 56.593 15.630 7.590 1.00 0.25 C +ATOM 751 CG1 VAL A 47 57.893 14.901 7.968 1.00 0.26 C +ATOM 752 CG2 VAL A 47 56.810 16.511 6.410 1.00 0.28 C +ATOM 753 H VAL A 47 55.630 14.006 9.247 1.00 0.21 H +ATOM 754 HA VAL A 47 54.677 15.193 6.781 1.00 0.24 H +ATOM 755 HB VAL A 47 56.286 16.221 8.406 1.00 0.25 H +ATOM 756 HG11 VAL A 47 57.658 14.056 8.600 1.00 0.98 H +ATOM 757 HG12 VAL A 47 58.385 14.556 7.074 1.00 1.01 H +ATOM 758 HG13 VAL A 47 58.542 15.579 8.501 1.00 1.07 H +ATOM 759 HG21 VAL A 47 55.857 16.707 5.941 1.00 1.02 H +ATOM 760 HG22 VAL A 47 57.248 17.435 6.737 1.00 1.08 H +ATOM 761 HG23 VAL A 47 57.463 16.018 5.717 1.00 1.05 H +ATOM 762 N ALA A 48 55.583 12.270 6.737 1.00 0.21 N +ATOM 763 CA ALA A 48 55.938 11.113 5.907 1.00 0.21 C +ATOM 764 C ALA A 48 57.433 10.822 6.015 1.00 0.21 C +ATOM 765 O ALA A 48 57.992 10.107 5.207 1.00 0.23 O +ATOM 766 CB ALA A 48 55.552 11.405 4.473 1.00 0.24 C +ATOM 767 H ALA A 48 55.059 12.121 7.529 1.00 0.20 H +ATOM 768 HA ALA A 48 55.383 10.252 6.254 1.00 0.20 H +ATOM 769 HB1 ALA A 48 54.881 12.260 4.461 1.00 1.03 H +ATOM 770 HB2 ALA A 48 56.435 11.635 3.908 1.00 1.08 H +ATOM 771 HB3 ALA A 48 55.057 10.554 4.057 1.00 1.03 H +ATOM 772 N LYS A 49 58.079 11.322 7.037 1.00 0.20 N +ATOM 773 CA LYS A 49 59.516 11.011 7.213 1.00 0.20 C +ATOM 774 C LYS A 49 59.637 9.644 7.862 1.00 0.19 C +ATOM 775 O LYS A 49 59.696 9.517 9.069 1.00 0.19 O +ATOM 776 CB LYS A 49 60.184 12.070 8.072 1.00 0.22 C +ATOM 777 CG LYS A 49 61.320 12.738 7.288 1.00 0.27 C +ATOM 778 CD LYS A 49 61.501 14.176 7.776 1.00 0.33 C +ATOM 779 CE LYS A 49 61.866 14.170 9.261 1.00 0.55 C +ATOM 780 NZ LYS A 49 61.741 15.550 9.809 1.00 1.05 N +ATOM 781 H LYS A 49 57.608 11.862 7.704 1.00 0.20 H +ATOM 782 HA LYS A 49 59.978 10.992 6.276 1.00 0.22 H +ATOM 783 HB2 LYS A 49 59.461 12.805 8.329 1.00 0.24 H +ATOM 784 HB3 LYS A 49 60.578 11.616 8.970 1.00 0.21 H +ATOM 785 HG2 LYS A 49 62.237 12.188 7.444 1.00 0.33 H +ATOM 786 HG3 LYS A 49 61.077 12.741 6.235 1.00 0.41 H +ATOM 787 HD2 LYS A 49 62.292 14.650 7.214 1.00 0.64 H +ATOM 788 HD3 LYS A 49 60.580 14.723 7.633 1.00 0.56 H +ATOM 789 HE2 LYS A 49 61.197 13.509 9.793 1.00 1.03 H +ATOM 790 HE3 LYS A 49 62.882 13.825 9.380 1.00 1.05 H +ATOM 791 HZ1 LYS A 49 60.777 15.903 9.644 1.00 1.63 H +ATOM 792 HZ2 LYS A 49 61.934 15.536 10.830 1.00 1.32 H +ATOM 793 HZ3 LYS A 49 62.425 16.174 9.335 1.00 1.68 H +ATOM 794 N GLU A 50 59.658 8.605 7.063 1.00 0.19 N +ATOM 795 CA GLU A 50 59.756 7.229 7.622 1.00 0.19 C +ATOM 796 C GLU A 50 60.981 7.146 8.517 1.00 0.17 C +ATOM 797 O GLU A 50 62.100 7.276 8.060 1.00 0.20 O +ATOM 798 CB GLU A 50 59.886 6.226 6.476 1.00 0.21 C +ATOM 799 CG GLU A 50 58.520 6.022 5.818 1.00 0.43 C +ATOM 800 CD GLU A 50 58.713 5.614 4.356 1.00 0.79 C +ATOM 801 OE1 GLU A 50 59.174 4.508 4.127 1.00 1.12 O +ATOM 802 OE2 GLU A 50 58.397 6.414 3.491 1.00 1.39 O +ATOM 803 H GLU A 50 59.607 8.734 6.093 1.00 0.20 H +ATOM 804 HA GLU A 50 58.870 7.008 8.199 1.00 0.18 H +ATOM 805 HB2 GLU A 50 60.584 6.604 5.744 1.00 0.25 H +ATOM 806 HB3 GLU A 50 60.244 5.285 6.860 1.00 0.22 H +ATOM 807 HG2 GLU A 50 57.981 5.246 6.339 1.00 0.68 H +ATOM 808 HG3 GLU A 50 57.958 6.944 5.863 1.00 0.54 H +ATOM 809 N ILE A 51 60.788 6.974 9.795 1.00 0.14 N +ATOM 810 CA ILE A 51 61.970 6.932 10.704 1.00 0.13 C +ATOM 811 C ILE A 51 62.189 5.539 11.239 1.00 0.13 C +ATOM 812 O ILE A 51 61.464 5.067 12.091 1.00 0.15 O +ATOM 813 CB ILE A 51 61.825 7.866 11.911 1.00 0.14 C +ATOM 814 CG1 ILE A 51 60.775 8.942 11.690 1.00 0.14 C +ATOM 815 CG2 ILE A 51 63.159 8.548 12.154 1.00 0.15 C +ATOM 816 CD1 ILE A 51 60.628 9.717 12.983 1.00 0.13 C +ATOM 817 H ILE A 51 59.878 6.903 10.155 1.00 0.13 H +ATOM 818 HA ILE A 51 62.837 7.232 10.153 1.00 0.13 H +ATOM 819 HB ILE A 51 61.562 7.281 12.791 1.00 0.14 H +ATOM 820 HG12 ILE A 51 61.094 9.607 10.903 1.00 0.16 H +ATOM 821 HG13 ILE A 51 59.837 8.488 11.426 1.00 0.14 H +ATOM 822 HG21 ILE A 51 63.951 7.883 11.882 1.00 0.97 H +ATOM 823 HG22 ILE A 51 63.220 9.443 11.555 1.00 0.99 H +ATOM 824 HG23 ILE A 51 63.245 8.806 13.191 1.00 1.00 H +ATOM 825 HD11 ILE A 51 61.482 9.511 13.622 1.00 1.01 H +ATOM 826 HD12 ILE A 51 60.591 10.767 12.771 1.00 0.97 H +ATOM 827 HD13 ILE A 51 59.727 9.411 13.485 1.00 0.95 H +ATOM 828 N CYS A 52 63.247 4.934 10.843 1.00 0.12 N +ATOM 829 CA CYS A 52 63.611 3.636 11.409 1.00 0.13 C +ATOM 830 C CYS A 52 63.916 3.855 12.875 1.00 0.15 C +ATOM 831 O CYS A 52 64.680 4.707 13.215 1.00 0.33 O +ATOM 832 CB CYS A 52 64.835 3.136 10.699 1.00 0.13 C +ATOM 833 SG CYS A 52 64.352 2.612 9.040 1.00 0.22 S +ATOM 834 H CYS A 52 63.846 5.371 10.234 1.00 0.13 H +ATOM 835 HA CYS A 52 62.811 2.940 11.290 1.00 0.13 H +ATOM 836 HB2 CYS A 52 65.546 3.928 10.634 1.00 0.18 H +ATOM 837 HB3 CYS A 52 65.268 2.313 11.242 1.00 0.13 H +ATOM 838 N ALA A 53 63.300 3.128 13.737 1.00 0.12 N +ATOM 839 CA ALA A 53 63.548 3.334 15.195 1.00 0.12 C +ATOM 840 C ALA A 53 63.831 1.985 15.850 1.00 0.12 C +ATOM 841 O ALA A 53 63.225 0.988 15.520 1.00 0.15 O +ATOM 842 CB ALA A 53 62.324 3.993 15.847 1.00 0.13 C +ATOM 843 H ALA A 53 62.673 2.461 13.438 1.00 0.24 H +ATOM 844 HA ALA A 53 64.404 3.981 15.318 1.00 0.12 H +ATOM 845 HB1 ALA A 53 62.055 4.879 15.290 1.00 0.98 H +ATOM 846 HB2 ALA A 53 61.495 3.302 15.847 1.00 1.02 H +ATOM 847 HB3 ALA A 53 62.563 4.270 16.865 1.00 1.03 H +ATOM 848 N ASP A 54 64.762 1.944 16.759 1.00 0.13 N +ATOM 849 CA ASP A 54 65.107 0.654 17.418 1.00 0.16 C +ATOM 850 C ASP A 54 63.871 0.116 18.197 1.00 0.13 C +ATOM 851 O ASP A 54 63.472 0.717 19.172 1.00 0.12 O +ATOM 852 CB ASP A 54 66.264 0.889 18.396 1.00 0.20 C +ATOM 853 CG ASP A 54 66.588 -0.414 19.132 1.00 0.26 C +ATOM 854 OD1 ASP A 54 66.594 -1.450 18.488 1.00 0.36 O +ATOM 855 OD2 ASP A 54 66.825 -0.352 20.327 1.00 0.44 O +ATOM 856 H ASP A 54 65.244 2.761 17.001 1.00 0.13 H +ATOM 857 HA ASP A 54 65.416 -0.054 16.672 1.00 0.19 H +ATOM 858 HB2 ASP A 54 67.135 1.217 17.848 1.00 0.22 H +ATOM 859 HB3 ASP A 54 65.982 1.647 19.111 1.00 0.20 H +ATOM 860 N PRO A 55 63.294 -1.014 17.749 1.00 0.14 N +ATOM 861 CA PRO A 55 62.131 -1.593 18.431 1.00 0.14 C +ATOM 862 C PRO A 55 62.520 -2.054 19.842 1.00 0.14 C +ATOM 863 O PRO A 55 61.676 -2.276 20.687 1.00 0.15 O +ATOM 864 CB PRO A 55 61.716 -2.799 17.571 1.00 0.17 C +ATOM 865 CG PRO A 55 62.731 -2.902 16.391 1.00 0.19 C +ATOM 866 CD PRO A 55 63.748 -1.761 16.560 1.00 0.17 C +ATOM 867 HA PRO A 55 61.327 -0.877 18.477 1.00 0.14 H +ATOM 868 HB2 PRO A 55 61.752 -3.701 18.162 1.00 0.19 H +ATOM 869 HB3 PRO A 55 60.716 -2.649 17.187 1.00 0.19 H +ATOM 870 HG2 PRO A 55 63.240 -3.852 16.426 1.00 0.21 H +ATOM 871 HG3 PRO A 55 62.210 -2.797 15.449 1.00 0.21 H +ATOM 872 HD2 PRO A 55 64.736 -2.160 16.727 1.00 0.19 H +ATOM 873 HD3 PRO A 55 63.742 -1.124 15.691 1.00 0.18 H +ATOM 874 N LYS A 56 63.796 -2.210 20.099 1.00 0.15 N +ATOM 875 CA LYS A 56 64.237 -2.658 21.421 1.00 0.17 C +ATOM 876 C LYS A 56 64.340 -1.466 22.390 1.00 0.16 C +ATOM 877 O LYS A 56 64.874 -1.588 23.474 1.00 0.17 O +ATOM 878 CB LYS A 56 65.606 -3.332 21.297 1.00 0.23 C +ATOM 879 CG LYS A 56 65.417 -4.827 21.035 1.00 0.47 C +ATOM 880 CD LYS A 56 65.413 -5.084 19.527 1.00 1.11 C +ATOM 881 CE LYS A 56 65.406 -6.591 19.266 1.00 1.42 C +ATOM 882 NZ LYS A 56 66.656 -7.195 19.810 1.00 2.40 N +ATOM 883 H LYS A 56 64.442 -2.049 19.426 1.00 0.16 H +ATOM 884 HA LYS A 56 63.538 -3.354 21.785 1.00 0.19 H +ATOM 885 HB2 LYS A 56 66.152 -2.890 20.478 1.00 0.44 H +ATOM 886 HB3 LYS A 56 66.159 -3.193 22.216 1.00 0.35 H +ATOM 887 HG2 LYS A 56 66.227 -5.377 21.490 1.00 1.24 H +ATOM 888 HG3 LYS A 56 64.478 -5.151 21.459 1.00 1.28 H +ATOM 889 HD2 LYS A 56 64.532 -4.640 19.088 1.00 1.82 H +ATOM 890 HD3 LYS A 56 66.296 -4.645 19.085 1.00 1.81 H +ATOM 891 HE2 LYS A 56 64.550 -7.036 19.751 1.00 1.72 H +ATOM 892 HE3 LYS A 56 65.353 -6.772 18.203 1.00 1.75 H +ATOM 893 HZ1 LYS A 56 67.406 -6.474 19.838 1.00 2.87 H +ATOM 894 HZ2 LYS A 56 66.479 -7.550 20.771 1.00 2.85 H +ATOM 895 HZ3 LYS A 56 66.954 -7.982 19.201 1.00 2.79 H +ATOM 896 N GLN A 57 63.839 -0.315 22.013 1.00 0.14 N +ATOM 897 CA GLN A 57 63.921 0.861 22.919 1.00 0.14 C +ATOM 898 C GLN A 57 62.684 0.895 23.815 1.00 0.14 C +ATOM 899 O GLN A 57 61.749 0.142 23.628 1.00 0.17 O +ATOM 900 CB GLN A 57 63.986 2.142 22.087 1.00 0.14 C +ATOM 901 CG GLN A 57 65.352 2.804 22.275 1.00 0.21 C +ATOM 902 CD GLN A 57 65.531 3.198 23.742 1.00 0.91 C +ATOM 903 OE1 GLN A 57 64.761 3.973 24.273 1.00 1.46 O +ATOM 904 NE2 GLN A 57 66.522 2.693 24.424 1.00 1.76 N +ATOM 905 H GLN A 57 63.417 -0.224 21.143 1.00 0.15 H +ATOM 906 HA GLN A 57 64.808 0.783 23.531 1.00 0.17 H +ATOM 907 HB2 GLN A 57 63.844 1.902 21.044 1.00 0.17 H +ATOM 908 HB3 GLN A 57 63.209 2.820 22.409 1.00 0.13 H +ATOM 909 HG2 GLN A 57 66.130 2.111 21.992 1.00 0.69 H +ATOM 910 HG3 GLN A 57 65.413 3.687 21.654 1.00 0.79 H +ATOM 911 HE21 GLN A 57 67.143 2.067 23.996 1.00 2.15 H +ATOM 912 HE22 GLN A 57 66.645 2.939 25.365 1.00 2.28 H +ATOM 913 N LYS A 58 62.677 1.749 24.798 1.00 0.18 N +ATOM 914 CA LYS A 58 61.509 1.816 25.718 1.00 0.21 C +ATOM 915 C LYS A 58 60.533 2.906 25.266 1.00 0.18 C +ATOM 916 O LYS A 58 59.407 2.961 25.729 1.00 0.20 O +ATOM 917 CB LYS A 58 62.007 2.131 27.140 1.00 0.28 C +ATOM 918 CG LYS A 58 60.815 2.381 28.108 1.00 0.43 C +ATOM 919 CD LYS A 58 59.753 1.274 27.961 1.00 1.14 C +ATOM 920 CE LYS A 58 59.302 0.812 29.348 1.00 1.87 C +ATOM 921 NZ LYS A 58 58.000 0.096 29.233 1.00 2.45 N +ATOM 922 H LYS A 58 63.448 2.338 24.940 1.00 0.21 H +ATOM 923 HA LYS A 58 61.004 0.863 25.720 1.00 0.22 H +ATOM 924 HB2 LYS A 58 62.591 1.303 27.500 1.00 0.35 H +ATOM 925 HB3 LYS A 58 62.626 3.017 27.104 1.00 0.36 H +ATOM 926 HG2 LYS A 58 61.179 2.392 29.124 1.00 1.00 H +ATOM 927 HG3 LYS A 58 60.366 3.336 27.880 1.00 1.19 H +ATOM 928 HD2 LYS A 58 58.902 1.662 27.417 1.00 1.55 H +ATOM 929 HD3 LYS A 58 60.174 0.440 27.422 1.00 1.46 H +ATOM 930 HE2 LYS A 58 60.044 0.146 29.764 1.00 1.98 H +ATOM 931 HE3 LYS A 58 59.185 1.670 29.993 1.00 2.38 H +ATOM 932 HZ1 LYS A 58 58.060 -0.614 28.477 1.00 2.70 H +ATOM 933 HZ2 LYS A 58 57.784 -0.376 30.134 1.00 2.75 H +ATOM 934 HZ3 LYS A 58 57.247 0.779 29.010 1.00 2.94 H +ATOM 935 N TRP A 59 60.931 3.760 24.365 1.00 0.17 N +ATOM 936 CA TRP A 59 59.997 4.810 23.900 1.00 0.17 C +ATOM 937 C TRP A 59 59.327 4.318 22.634 1.00 0.15 C +ATOM 938 O TRP A 59 58.207 4.654 22.348 1.00 0.16 O +ATOM 939 CB TRP A 59 60.755 6.150 23.683 1.00 0.19 C +ATOM 940 CG TRP A 59 61.559 6.131 22.410 1.00 0.16 C +ATOM 941 CD1 TRP A 59 62.854 5.728 22.301 1.00 0.18 C +ATOM 942 CD2 TRP A 59 61.143 6.544 21.085 1.00 0.15 C +ATOM 943 NE1 TRP A 59 63.264 5.871 20.978 1.00 0.15 N +ATOM 944 CE2 TRP A 59 62.252 6.369 20.182 1.00 0.13 C +ATOM 945 CE3 TRP A 59 59.901 7.060 20.556 1.00 0.20 C +ATOM 946 CZ2 TRP A 59 62.139 6.698 18.794 1.00 0.16 C +ATOM 947 CZ3 TRP A 59 59.793 7.390 19.161 1.00 0.24 C +ATOM 948 CH2 TRP A 59 60.922 7.204 18.291 1.00 0.22 C +ATOM 949 H TRP A 59 61.823 3.687 23.970 1.00 0.17 H +ATOM 950 HA TRP A 59 59.231 4.950 24.652 1.00 0.19 H +ATOM 951 HB2 TRP A 59 60.038 6.957 23.637 1.00 0.22 H +ATOM 952 HB3 TRP A 59 61.420 6.318 24.516 1.00 0.23 H +ATOM 953 HD1 TRP A 59 63.466 5.358 23.111 1.00 0.23 H +ATOM 954 HE1 TRP A 59 64.155 5.651 20.634 1.00 0.18 H +ATOM 955 HE3 TRP A 59 59.054 7.200 21.210 1.00 0.23 H +ATOM 956 HZ2 TRP A 59 62.969 6.571 18.131 1.00 0.16 H +ATOM 957 HZ3 TRP A 59 58.864 7.778 18.768 1.00 0.30 H +ATOM 958 HH2 TRP A 59 60.851 7.460 17.259 1.00 0.26 H +ATOM 959 N VAL A 60 59.995 3.478 21.903 1.00 0.15 N +ATOM 960 CA VAL A 60 59.385 2.899 20.712 1.00 0.15 C +ATOM 961 C VAL A 60 58.475 1.730 21.137 1.00 0.18 C +ATOM 962 O VAL A 60 57.664 1.270 20.383 1.00 0.30 O +ATOM 963 CB VAL A 60 60.487 2.413 19.796 1.00 0.15 C +ATOM 964 CG1 VAL A 60 59.883 1.733 18.575 1.00 0.17 C +ATOM 965 CG2 VAL A 60 61.312 3.614 19.359 1.00 0.17 C +ATOM 966 H VAL A 60 60.893 3.199 22.167 1.00 0.16 H +ATOM 967 HA VAL A 60 58.797 3.650 20.205 1.00 0.16 H +ATOM 968 HB VAL A 60 61.117 1.714 20.326 1.00 0.17 H +ATOM 969 HG11 VAL A 60 58.814 1.786 18.627 1.00 0.95 H +ATOM 970 HG12 VAL A 60 60.222 2.231 17.683 1.00 0.94 H +ATOM 971 HG13 VAL A 60 60.190 0.703 18.554 1.00 0.95 H +ATOM 972 HG21 VAL A 60 60.659 4.472 19.242 1.00 1.06 H +ATOM 973 HG22 VAL A 60 62.057 3.830 20.105 1.00 1.00 H +ATOM 974 HG23 VAL A 60 61.790 3.398 18.419 1.00 0.97 H +ATOM 975 N GLN A 61 58.577 1.274 22.366 1.00 0.19 N +ATOM 976 CA GLN A 61 57.673 0.186 22.821 1.00 0.21 C +ATOM 977 C GLN A 61 56.319 0.801 23.151 1.00 0.21 C +ATOM 978 O GLN A 61 55.292 0.158 23.055 1.00 0.23 O +ATOM 979 CB GLN A 61 58.255 -0.484 24.068 1.00 0.25 C +ATOM 980 CG GLN A 61 59.094 -1.695 23.653 1.00 0.32 C +ATOM 981 CD GLN A 61 58.959 -2.794 24.708 1.00 0.95 C +ATOM 982 OE1 GLN A 61 58.266 -2.627 25.691 1.00 1.80 O +ATOM 983 NE2 GLN A 61 59.599 -3.920 24.545 1.00 1.43 N +ATOM 984 H GLN A 61 59.217 1.665 22.991 1.00 0.27 H +ATOM 985 HA GLN A 61 57.554 -0.546 22.031 1.00 0.23 H +ATOM 986 HB2 GLN A 61 58.879 0.220 24.597 1.00 0.25 H +ATOM 987 HB3 GLN A 61 57.450 -0.807 24.711 1.00 0.28 H +ATOM 988 HG2 GLN A 61 58.745 -2.066 22.701 1.00 0.78 H +ATOM 989 HG3 GLN A 61 60.130 -1.402 23.567 1.00 0.70 H +ATOM 990 HE21 GLN A 61 60.159 -4.055 23.752 1.00 1.81 H +ATOM 991 HE22 GLN A 61 59.519 -4.630 25.215 1.00 1.88 H +ATOM 992 N ASP A 62 56.306 2.054 23.529 1.00 0.20 N +ATOM 993 CA ASP A 62 55.042 2.710 23.848 1.00 0.22 C +ATOM 994 C ASP A 62 54.435 3.295 22.568 1.00 0.20 C +ATOM 995 O ASP A 62 53.265 3.142 22.294 1.00 0.21 O +ATOM 996 CB ASP A 62 55.288 3.833 24.859 1.00 0.26 C +ATOM 997 CG ASP A 62 54.710 3.433 26.218 1.00 1.00 C +ATOM 998 OD1 ASP A 62 53.529 3.132 26.272 1.00 1.45 O +ATOM 999 OD2 ASP A 62 55.459 3.434 27.181 1.00 1.76 O +ATOM 1000 H ASP A 62 57.125 2.548 23.599 1.00 0.20 H +ATOM 1001 HA ASP A 62 54.394 2.000 24.261 1.00 0.24 H +ATOM 1002 HB2 ASP A 62 56.349 4.003 24.957 1.00 0.74 H +ATOM 1003 HB3 ASP A 62 54.808 4.738 24.515 1.00 0.69 H +ATOM 1004 N SER A 63 55.238 3.955 21.786 1.00 0.24 N +ATOM 1005 CA SER A 63 54.757 4.562 20.521 1.00 0.24 C +ATOM 1006 C SER A 63 54.366 3.468 19.543 1.00 0.24 C +ATOM 1007 O SER A 63 53.284 3.449 19.019 1.00 0.28 O +ATOM 1008 CB SER A 63 55.898 5.342 19.916 1.00 0.21 C +ATOM 1009 OG SER A 63 56.672 5.934 20.950 1.00 0.28 O +ATOM 1010 H SER A 63 56.170 4.046 22.028 1.00 0.31 H +ATOM 1011 HA SER A 63 53.919 5.215 20.711 1.00 0.28 H +ATOM 1012 HB2 SER A 63 56.499 4.664 19.355 1.00 0.21 H +ATOM 1013 HB3 SER A 63 55.526 6.104 19.267 1.00 0.24 H +ATOM 1014 HG SER A 63 56.370 6.838 21.066 1.00 0.82 H +ATOM 1015 N MET A 64 55.275 2.577 19.267 1.00 0.25 N +ATOM 1016 CA MET A 64 55.000 1.476 18.296 1.00 0.29 C +ATOM 1017 C MET A 64 53.703 0.771 18.665 1.00 0.29 C +ATOM 1018 O MET A 64 53.052 0.206 17.828 1.00 0.29 O +ATOM 1019 CB MET A 64 56.146 0.470 18.344 1.00 0.33 C +ATOM 1020 CG MET A 64 55.910 -0.651 17.328 1.00 0.98 C +ATOM 1021 SD MET A 64 56.222 -2.264 18.113 1.00 1.04 S +ATOM 1022 CE MET A 64 57.795 -1.850 18.925 1.00 0.60 C +ATOM 1023 H MET A 64 56.152 2.646 19.682 1.00 0.26 H +ATOM 1024 HA MET A 64 54.920 1.884 17.300 1.00 0.33 H +ATOM 1025 HB2 MET A 64 57.074 0.972 18.114 1.00 0.96 H +ATOM 1026 HB3 MET A 64 56.204 0.045 19.334 1.00 0.97 H +ATOM 1027 HG2 MET A 64 54.890 -0.613 16.981 1.00 1.70 H +ATOM 1028 HG3 MET A 64 56.578 -0.525 16.492 1.00 1.63 H +ATOM 1029 HE1 MET A 64 58.167 -0.913 18.532 1.00 1.11 H +ATOM 1030 HE2 MET A 64 57.635 -1.757 19.992 1.00 1.05 H +ATOM 1031 HE3 MET A 64 58.514 -2.628 18.738 1.00 1.17 H +ATOM 1032 N ASP A 65 53.325 0.808 19.918 1.00 0.31 N +ATOM 1033 CA ASP A 65 52.084 0.158 20.343 1.00 0.33 C +ATOM 1034 C ASP A 65 50.935 1.095 20.084 1.00 0.27 C +ATOM 1035 O ASP A 65 49.859 0.697 19.685 1.00 0.28 O +ATOM 1036 CB ASP A 65 52.157 -0.171 21.836 1.00 0.41 C +ATOM 1037 CG ASP A 65 52.350 -1.678 22.017 1.00 0.94 C +ATOM 1038 OD1 ASP A 65 52.925 -2.292 21.134 1.00 1.51 O +ATOM 1039 OD2 ASP A 65 51.920 -2.191 23.037 1.00 1.51 O +ATOM 1040 H ASP A 65 53.851 1.262 20.559 1.00 0.33 H +ATOM 1041 HA ASP A 65 51.957 -0.710 19.798 1.00 0.35 H +ATOM 1042 HB2 ASP A 65 52.988 0.354 22.280 1.00 0.70 H +ATOM 1043 HB3 ASP A 65 51.238 0.135 22.316 1.00 0.73 H +ATOM 1044 N HIS A 66 51.166 2.340 20.287 1.00 0.27 N +ATOM 1045 CA HIS A 66 50.121 3.343 20.047 1.00 0.29 C +ATOM 1046 C HIS A 66 49.708 3.279 18.582 1.00 0.22 C +ATOM 1047 O HIS A 66 48.579 3.541 18.230 1.00 0.31 O +ATOM 1048 CB HIS A 66 50.662 4.739 20.371 1.00 0.42 C +ATOM 1049 CG HIS A 66 49.594 5.767 20.106 1.00 0.76 C +ATOM 1050 ND1 HIS A 66 48.567 6.015 21.004 1.00 1.85 N +ATOM 1051 CD2 HIS A 66 49.380 6.613 19.048 1.00 1.03 C +ATOM 1052 CE1 HIS A 66 47.788 6.976 20.471 1.00 2.63 C +ATOM 1053 NE2 HIS A 66 48.240 7.376 19.279 1.00 2.15 N +ATOM 1054 H HIS A 66 52.033 2.612 20.583 1.00 0.31 H +ATOM 1055 HA HIS A 66 49.288 3.130 20.670 1.00 0.32 H +ATOM 1056 HB2 HIS A 66 50.951 4.781 21.410 1.00 1.18 H +ATOM 1057 HB3 HIS A 66 51.521 4.945 19.750 1.00 1.07 H +ATOM 1058 HD1 HIS A 66 48.433 5.572 21.868 1.00 2.05 H +ATOM 1059 HD2 HIS A 66 50.007 6.681 18.170 1.00 0.78 H +ATOM 1060 HE1 HIS A 66 46.905 7.375 20.950 1.00 3.57 H +ATOM 1061 N LEU A 67 50.621 2.902 17.733 1.00 0.18 N +ATOM 1062 CA LEU A 67 50.307 2.784 16.289 1.00 0.18 C +ATOM 1063 C LEU A 67 49.837 1.370 16.031 1.00 0.21 C +ATOM 1064 O LEU A 67 48.960 1.128 15.225 1.00 0.23 O +ATOM 1065 CB LEU A 67 51.567 3.094 15.449 1.00 0.24 C +ATOM 1066 CG LEU A 67 52.336 4.282 16.067 1.00 0.19 C +ATOM 1067 CD1 LEU A 67 53.715 4.381 15.456 1.00 0.19 C +ATOM 1068 CD2 LEU A 67 51.599 5.558 15.786 1.00 0.28 C +ATOM 1069 H LEU A 67 51.510 2.674 18.051 1.00 0.25 H +ATOM 1070 HA LEU A 67 49.517 3.465 16.040 1.00 0.22 H +ATOM 1071 HB2 LEU A 67 52.207 2.225 15.431 1.00 0.33 H +ATOM 1072 HB3 LEU A 67 51.272 3.343 14.440 1.00 0.37 H +ATOM 1073 HG LEU A 67 52.428 4.144 17.131 1.00 0.20 H +ATOM 1074 HD11 LEU A 67 54.159 3.413 15.446 1.00 1.03 H +ATOM 1075 HD12 LEU A 67 53.635 4.752 14.442 1.00 1.04 H +ATOM 1076 HD13 LEU A 67 54.323 5.055 16.040 1.00 0.97 H +ATOM 1077 HD21 LEU A 67 50.555 5.417 15.994 1.00 1.09 H +ATOM 1078 HD22 LEU A 67 51.995 6.340 16.414 1.00 1.02 H +ATOM 1079 HD23 LEU A 67 51.733 5.822 14.749 1.00 0.96 H +ATOM 1080 N ASP A 68 50.337 0.443 16.793 1.00 0.25 N +ATOM 1081 CA ASP A 68 49.854 -0.921 16.699 1.00 0.32 C +ATOM 1082 C ASP A 68 48.386 -0.957 17.136 1.00 0.35 C +ATOM 1083 O ASP A 68 47.683 -1.919 16.893 1.00 0.42 O +ATOM 1084 CB ASP A 68 50.706 -1.823 17.597 1.00 0.39 C +ATOM 1085 CG ASP A 68 51.349 -2.926 16.754 1.00 0.46 C +ATOM 1086 OD1 ASP A 68 50.625 -3.587 16.027 1.00 0.80 O +ATOM 1087 OD2 ASP A 68 52.553 -3.092 16.850 1.00 0.62 O +ATOM 1088 H ASP A 68 50.967 0.668 17.468 1.00 0.25 H +ATOM 1089 HA ASP A 68 49.938 -1.242 15.692 1.00 0.34 H +ATOM 1090 HB2 ASP A 68 51.473 -1.241 18.036 1.00 0.37 H +ATOM 1091 HB3 ASP A 68 50.104 -2.250 18.376 1.00 0.44 H +ATOM 1092 N LYS A 69 47.893 0.112 17.749 1.00 0.34 N +ATOM 1093 CA LYS A 69 46.506 0.142 18.135 1.00 0.42 C +ATOM 1094 C LYS A 69 45.908 1.498 17.790 1.00 0.44 C +ATOM 1095 O LYS A 69 45.141 2.066 18.542 1.00 0.52 O +ATOM 1096 CB LYS A 69 46.360 -0.142 19.632 1.00 0.49 C +ATOM 1097 CG LYS A 69 47.048 0.964 20.435 1.00 0.48 C +ATOM 1098 CD LYS A 69 47.698 0.360 21.682 1.00 0.64 C +ATOM 1099 CE LYS A 69 47.435 1.264 22.886 1.00 1.02 C +ATOM 1100 NZ LYS A 69 46.558 0.553 23.858 1.00 1.56 N +ATOM 1101 H LYS A 69 48.425 0.868 17.908 1.00 0.30 H +ATOM 1102 HA LYS A 69 46.024 -0.579 17.592 1.00 0.44 H +ATOM 1103 HB2 LYS A 69 45.313 -0.175 19.892 1.00 0.58 H +ATOM 1104 HB3 LYS A 69 46.819 -1.093 19.864 1.00 0.51 H +ATOM 1105 HG2 LYS A 69 47.805 1.434 19.826 1.00 0.54 H +ATOM 1106 HG3 LYS A 69 46.315 1.702 20.731 1.00 0.67 H +ATOM 1107 HD2 LYS A 69 47.278 -0.617 21.869 1.00 0.71 H +ATOM 1108 HD3 LYS A 69 48.762 0.269 21.525 1.00 0.83 H +ATOM 1109 HE2 LYS A 69 48.373 1.513 23.361 1.00 1.47 H +ATOM 1110 HE3 LYS A 69 46.947 2.170 22.556 1.00 1.26 H +ATOM 1111 HZ1 LYS A 69 45.660 0.304 23.397 1.00 2.06 H +ATOM 1112 HZ2 LYS A 69 47.034 -0.313 24.184 1.00 1.95 H +ATOM 1113 HZ3 LYS A 69 46.369 1.172 24.671 1.00 2.00 H +ATOM 1114 N GLN A 70 46.244 2.011 16.643 1.00 0.41 N +ATOM 1115 CA GLN A 70 45.708 3.288 16.220 1.00 0.48 C +ATOM 1116 C GLN A 70 44.666 3.074 15.135 1.00 0.77 C +ATOM 1117 O GLN A 70 43.683 3.783 15.044 1.00 1.09 O +ATOM 1118 CB GLN A 70 46.833 4.190 15.689 1.00 0.82 C +ATOM 1119 CG GLN A 70 47.458 3.567 14.434 1.00 1.49 C +ATOM 1120 CD GLN A 70 46.716 4.066 13.193 1.00 2.10 C +ATOM 1121 OE1 GLN A 70 45.708 4.734 13.302 1.00 2.34 O +ATOM 1122 NE2 GLN A 70 47.176 3.766 12.010 1.00 2.88 N +ATOM 1123 H GLN A 70 46.822 1.555 16.087 1.00 0.36 H +ATOM 1124 HA GLN A 70 45.273 3.719 17.023 1.00 0.77 H +ATOM 1125 HB2 GLN A 70 46.428 5.159 15.441 1.00 1.43 H +ATOM 1126 HB3 GLN A 70 47.590 4.304 16.446 1.00 1.53 H +ATOM 1127 HG2 GLN A 70 48.497 3.854 14.370 1.00 1.95 H +ATOM 1128 HG3 GLN A 70 47.385 2.493 14.489 1.00 1.94 H +ATOM 1129 HE21 GLN A 70 47.989 3.226 11.922 1.00 3.26 H +ATOM 1130 HE22 GLN A 70 46.708 4.082 11.208 1.00 3.32 H +ATOM 1131 N THR A 71 44.884 2.114 14.312 1.00 0.95 N +ATOM 1132 CA THR A 71 43.950 1.836 13.225 1.00 1.53 C +ATOM 1133 C THR A 71 42.976 0.718 13.630 1.00 1.83 C +ATOM 1134 O THR A 71 42.274 0.172 12.803 1.00 2.29 O +ATOM 1135 CB THR A 71 44.729 1.409 11.978 1.00 1.73 C +ATOM 1136 OG1 THR A 71 43.817 0.999 10.969 1.00 2.48 O +ATOM 1137 CG2 THR A 71 45.660 0.248 12.329 1.00 1.57 C +ATOM 1138 H THR A 71 45.657 1.596 14.403 1.00 0.81 H +ATOM 1139 HA THR A 71 43.416 2.713 13.019 1.00 1.84 H +ATOM 1140 HB THR A 71 45.315 2.240 11.618 1.00 1.84 H +ATOM 1141 HG1 THR A 71 44.326 0.746 10.195 1.00 2.67 H +ATOM 1142 HG21 THR A 71 45.120 -0.482 12.914 1.00 2.02 H +ATOM 1143 HG22 THR A 71 46.019 -0.213 11.421 1.00 1.75 H +ATOM 1144 HG23 THR A 71 46.498 0.618 12.901 1.00 1.86 H +ATOM 1145 N GLN A 72 42.937 0.361 14.890 1.00 1.85 N +ATOM 1146 CA GLN A 72 42.040 -0.707 15.320 1.00 2.37 C +ATOM 1147 C GLN A 72 40.683 -0.118 15.708 1.00 2.58 C +ATOM 1148 O GLN A 72 40.537 0.504 16.741 1.00 2.95 O +ATOM 1149 CB GLN A 72 42.649 -1.434 16.521 1.00 2.78 C +ATOM 1150 CG GLN A 72 43.941 -2.132 16.091 1.00 2.79 C +ATOM 1151 CD GLN A 72 43.931 -3.579 16.588 1.00 3.37 C +ATOM 1152 OE1 GLN A 72 43.048 -4.342 16.251 1.00 3.66 O +ATOM 1153 NE2 GLN A 72 44.883 -3.990 17.380 1.00 3.97 N +ATOM 1154 H GLN A 72 43.499 0.777 15.524 1.00 1.71 H +ATOM 1155 HA GLN A 72 41.923 -1.382 14.525 1.00 2.60 H +ATOM 1156 HB2 GLN A 72 42.869 -0.720 17.300 1.00 3.15 H +ATOM 1157 HB3 GLN A 72 41.948 -2.168 16.891 1.00 3.29 H +ATOM 1158 HG2 GLN A 72 44.014 -2.124 15.014 1.00 2.87 H +ATOM 1159 HG3 GLN A 72 44.787 -1.614 16.513 1.00 2.86 H +ATOM 1160 HE21 GLN A 72 45.596 -3.374 17.651 1.00 4.17 H +ATOM 1161 HE22 GLN A 72 44.886 -4.916 17.703 1.00 4.43 H +ATOM 1162 N THR A 73 39.689 -0.304 14.883 1.00 2.73 N +ATOM 1163 CA THR A 73 38.345 0.247 15.195 1.00 3.12 C +ATOM 1164 C THR A 73 37.411 -0.901 15.660 1.00 3.08 C +ATOM 1165 O THR A 73 36.896 -1.628 14.834 1.00 3.31 O +ATOM 1166 CB THR A 73 37.767 0.890 13.935 1.00 3.69 C +ATOM 1167 OG1 THR A 73 38.782 1.636 13.277 1.00 4.19 O +ATOM 1168 CG2 THR A 73 36.617 1.820 14.317 1.00 4.22 C +ATOM 1169 H THR A 73 39.829 -0.803 14.052 1.00 2.84 H +ATOM 1170 HA THR A 73 38.430 0.992 15.970 1.00 3.44 H +ATOM 1171 HB THR A 73 37.401 0.120 13.275 1.00 3.83 H +ATOM 1172 HG1 THR A 73 39.474 1.025 13.014 1.00 4.46 H +ATOM 1173 HG21 THR A 73 36.075 1.398 15.150 1.00 4.62 H +ATOM 1174 HG22 THR A 73 37.012 2.785 14.597 1.00 4.29 H +ATOM 1175 HG23 THR A 73 35.951 1.934 13.474 1.00 4.59 H +ATOM 1176 N PRO A 74 37.212 -1.039 16.979 1.00 3.34 N +ATOM 1177 CA PRO A 74 36.346 -2.097 17.508 1.00 3.73 C +ATOM 1178 C PRO A 74 34.932 -1.960 16.935 1.00 3.74 C +ATOM 1179 O PRO A 74 34.280 -0.947 17.098 1.00 3.84 O +ATOM 1180 CB PRO A 74 36.335 -1.886 19.033 1.00 4.47 C +ATOM 1181 CG PRO A 74 37.274 -0.678 19.345 1.00 4.63 C +ATOM 1182 CD PRO A 74 37.824 -0.166 18.002 1.00 3.85 C +ATOM 1183 HA PRO A 74 36.753 -3.066 17.273 1.00 3.92 H +ATOM 1184 HB2 PRO A 74 35.333 -1.663 19.366 1.00 4.74 H +ATOM 1185 HB3 PRO A 74 36.699 -2.776 19.529 1.00 4.95 H +ATOM 1186 HG2 PRO A 74 36.716 0.105 19.834 1.00 5.12 H +ATOM 1187 HG3 PRO A 74 38.089 -1.001 19.978 1.00 5.09 H +ATOM 1188 HD2 PRO A 74 37.528 0.859 17.842 1.00 4.08 H +ATOM 1189 HD3 PRO A 74 38.901 -0.256 17.980 1.00 3.82 H +ATOM 1190 N LYS A 75 34.455 -2.972 16.263 1.00 4.09 N +ATOM 1191 CA LYS A 75 33.086 -2.902 15.677 1.00 4.41 C +ATOM 1192 C LYS A 75 32.071 -2.603 16.782 1.00 4.91 C +ATOM 1193 O LYS A 75 31.968 -3.322 17.756 1.00 5.34 O +ATOM 1194 CB LYS A 75 32.745 -4.241 15.020 1.00 4.71 C +ATOM 1195 CG LYS A 75 31.484 -4.085 14.167 1.00 5.26 C +ATOM 1196 CD LYS A 75 30.489 -5.193 14.519 1.00 5.96 C +ATOM 1197 CE LYS A 75 29.131 -4.880 13.888 1.00 6.88 C +ATOM 1198 NZ LYS A 75 28.229 -4.288 14.916 1.00 7.56 N +ATOM 1199 H LYS A 75 34.998 -3.779 16.142 1.00 4.38 H +ATOM 1200 HA LYS A 75 33.052 -2.118 14.936 1.00 4.59 H +ATOM 1201 HB2 LYS A 75 33.566 -4.554 14.393 1.00 4.69 H +ATOM 1202 HB3 LYS A 75 32.572 -4.984 15.785 1.00 5.05 H +ATOM 1203 HG2 LYS A 75 31.034 -3.123 14.361 1.00 5.41 H +ATOM 1204 HG3 LYS A 75 31.746 -4.156 13.121 1.00 5.43 H +ATOM 1205 HD2 LYS A 75 30.851 -6.137 14.141 1.00 6.10 H +ATOM 1206 HD3 LYS A 75 30.382 -5.252 15.593 1.00 6.03 H +ATOM 1207 HE2 LYS A 75 29.264 -4.178 13.078 1.00 7.07 H +ATOM 1208 HE3 LYS A 75 28.693 -5.790 13.506 1.00 7.16 H +ATOM 1209 HZ1 LYS A 75 28.550 -4.574 15.864 1.00 7.70 H +ATOM 1210 HZ2 LYS A 75 28.250 -3.251 14.841 1.00 7.84 H +ATOM 1211 HZ3 LYS A 75 27.258 -4.626 14.762 1.00 7.86 H +ATOM 1212 N THR A 76 31.318 -1.546 16.638 1.00 5.23 N +ATOM 1213 CA THR A 76 30.309 -1.203 17.679 1.00 6.07 C +ATOM 1214 C THR A 76 28.913 -1.586 17.182 1.00 6.41 C +ATOM 1215 O THR A 76 28.239 -2.325 17.881 1.00 6.58 O +ATOM 1216 CB THR A 76 30.355 0.301 17.959 1.00 6.74 C +ATOM 1217 OG1 THR A 76 30.041 1.013 16.769 1.00 6.83 O +ATOM 1218 CG2 THR A 76 31.756 0.691 18.433 1.00 7.16 C +ATOM 1219 OXT THR A 76 28.543 -1.135 16.111 1.00 6.77 O +ATOM 1220 H THR A 76 31.416 -0.979 15.845 1.00 5.15 H +ATOM 1221 HA THR A 76 30.529 -1.745 18.587 1.00 6.28 H +ATOM 1222 HB THR A 76 29.637 0.548 18.725 1.00 7.22 H +ATOM 1223 HG1 THR A 76 30.787 0.932 16.170 1.00 7.31 H +ATOM 1224 HG21 THR A 76 32.208 -0.146 18.945 1.00 7.32 H +ATOM 1225 HG22 THR A 76 32.362 0.961 17.581 1.00 7.45 H +ATOM 1226 HG23 THR A 76 31.687 1.531 19.107 1.00 7.33 H +TER 1227 THR A 76 +END diff --git a/bench/main_benchmark/structures/SFB_OL_CVN_1IIYA_3EZMA/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_CVN_1IIYA_3EZMA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a6debc23235598f4b9bd43054a42ef47601e855a --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_CVN_1IIYA_3EZMA/state_a.pdb @@ -0,0 +1,1513 @@ +ATOM 1 N LEU A 1 -21.772 5.337 232.971 1.00 0.00 N +ATOM 2 CA LEU A 1 -20.761 4.926 233.986 1.00 0.00 C +ATOM 3 C LEU A 1 -21.264 5.265 235.390 1.00 0.00 C +ATOM 4 O LEU A 1 -21.806 6.326 235.632 1.00 0.00 O +ATOM 5 CB LEU A 1 -19.450 5.680 233.746 1.00 0.00 C +ATOM 6 CG LEU A 1 -18.875 5.324 232.366 1.00 0.00 C +ATOM 7 CD1 LEU A 1 -17.641 6.201 232.098 1.00 0.00 C +ATOM 8 CD2 LEU A 1 -18.481 3.823 232.316 1.00 0.00 C +ATOM 9 H1 LEU A 1 -22.727 5.202 233.356 1.00 0.00 H +ATOM 10 H2 LEU A 1 -21.657 4.756 232.114 1.00 0.00 H +ATOM 11 H3 LEU A 1 -21.636 6.339 232.730 1.00 0.00 H +ATOM 12 HA LEU A 1 -20.580 3.864 233.913 1.00 0.00 H +ATOM 13 HB2 LEU A 1 -19.639 6.744 233.792 1.00 0.00 H +ATOM 14 HB3 LEU A 1 -18.737 5.410 234.511 1.00 0.00 H +ATOM 15 HG LEU A 1 -19.623 5.528 231.611 1.00 0.00 H +ATOM 16 HD11 LEU A 1 -16.810 5.845 232.690 1.00 0.00 H +ATOM 17 HD12 LEU A 1 -17.859 7.225 232.365 1.00 0.00 H +ATOM 18 HD13 LEU A 1 -17.386 6.150 231.050 1.00 0.00 H +ATOM 19 HD21 LEU A 1 -19.263 3.261 231.825 1.00 0.00 H +ATOM 20 HD22 LEU A 1 -18.345 3.439 233.318 1.00 0.00 H +ATOM 21 HD23 LEU A 1 -17.559 3.699 231.763 1.00 0.00 H +ATOM 22 N GLY A 2 -21.089 4.366 236.318 1.00 0.00 N +ATOM 23 CA GLY A 2 -21.545 4.617 237.716 1.00 0.00 C +ATOM 24 C GLY A 2 -23.068 4.724 237.767 1.00 0.00 C +ATOM 25 O GLY A 2 -23.753 4.004 237.074 1.00 0.00 O +ATOM 26 H GLY A 2 -20.658 3.515 236.093 1.00 0.00 H +ATOM 27 HA2 GLY A 2 -21.228 3.798 238.333 1.00 0.00 H +ATOM 28 HA3 GLY A 2 -21.108 5.532 238.080 1.00 0.00 H +ATOM 29 N LYS A 3 -23.596 5.616 238.599 1.00 0.00 N +ATOM 30 CA LYS A 3 -25.078 5.822 238.755 1.00 0.00 C +ATOM 31 C LYS A 3 -25.674 4.726 239.639 1.00 0.00 C +ATOM 32 O LYS A 3 -26.868 4.496 239.647 1.00 0.00 O +ATOM 33 CB LYS A 3 -25.744 5.837 237.378 1.00 0.00 C +ATOM 34 CG LYS A 3 -27.108 6.515 237.475 1.00 1.22 C +ATOM 35 CD LYS A 3 -27.703 6.660 236.072 1.00 1.30 C +ATOM 36 CE LYS A 3 -27.801 5.283 235.410 1.00 1.21 C +ATOM 37 NZ LYS A 3 -28.922 5.283 234.428 1.00 1.64 N +ATOM 38 H LYS A 3 -23.005 6.161 239.145 1.00 0.00 H +ATOM 39 HA LYS A 3 -25.246 6.766 239.257 1.00 0.00 H +ATOM 40 HB2 LYS A 3 -25.121 6.379 236.682 1.00 0.86 H +ATOM 41 HB3 LYS A 3 -25.876 4.824 237.030 1.00 0.86 H +ATOM 42 HG2 LYS A 3 -27.761 5.917 238.087 1.00 1.79 H +ATOM 43 HG3 LYS A 3 -26.994 7.493 237.918 1.00 1.81 H +ATOM 44 HD2 LYS A 3 -28.688 7.097 236.144 1.00 1.94 H +ATOM 45 HD3 LYS A 3 -27.068 7.298 235.477 1.00 1.74 H +ATOM 46 HE2 LYS A 3 -26.875 5.064 234.898 1.00 1.74 H +ATOM 47 HE3 LYS A 3 -27.982 4.530 236.163 1.00 1.81 H +ATOM 48 HZ1 LYS A 3 -29.329 4.329 234.366 1.00 2.09 H +ATOM 49 HZ2 LYS A 3 -28.565 5.567 233.494 1.00 2.11 H +ATOM 50 HZ3 LYS A 3 -29.654 5.954 234.739 1.00 2.07 H +ATOM 51 N PHE A 4 -24.850 4.059 240.396 1.00 0.00 N +ATOM 52 CA PHE A 4 -25.351 2.987 241.301 1.00 0.00 C +ATOM 53 C PHE A 4 -26.577 3.481 242.080 1.00 0.00 C +ATOM 54 O PHE A 4 -27.339 2.691 242.599 1.00 0.00 O +ATOM 55 CB PHE A 4 -24.239 2.604 242.290 1.00 0.00 C +ATOM 56 CG PHE A 4 -24.119 3.660 243.375 1.00 0.00 C +ATOM 57 CD1 PHE A 4 -23.378 4.837 243.149 1.00 0.00 C +ATOM 58 CD2 PHE A 4 -24.765 3.462 244.612 1.00 0.00 C +ATOM 59 CE1 PHE A 4 -23.280 5.811 244.162 1.00 0.00 C +ATOM 60 CE2 PHE A 4 -24.667 4.438 245.621 1.00 0.00 C +ATOM 61 CZ PHE A 4 -23.925 5.611 245.397 1.00 0.00 C +ATOM 62 H PHE A 4 -23.889 4.250 240.361 1.00 0.00 H +ATOM 63 HA PHE A 4 -25.656 2.117 240.738 1.00 0.00 H +ATOM 64 HB2 PHE A 4 -24.472 1.653 242.741 1.00 0.00 H +ATOM 65 HB3 PHE A 4 -23.300 2.528 241.760 1.00 0.00 H +ATOM 66 HD1 PHE A 4 -22.884 4.991 242.203 1.00 0.00 H +ATOM 67 HD2 PHE A 4 -25.333 2.560 244.785 1.00 0.00 H +ATOM 68 HE1 PHE A 4 -22.708 6.712 243.997 1.00 0.00 H +ATOM 69 HE2 PHE A 4 -25.161 4.284 246.569 1.00 0.00 H +ATOM 70 HZ PHE A 4 -23.850 6.360 246.172 1.00 0.00 H +ATOM 71 N SER A 5 -26.772 4.765 242.202 1.00 0.00 N +ATOM 72 CA SER A 5 -27.937 5.260 242.986 1.00 0.00 C +ATOM 73 C SER A 5 -29.254 4.975 242.255 1.00 0.00 C +ATOM 74 O SER A 5 -30.317 5.067 242.835 1.00 0.00 O +ATOM 75 CB SER A 5 -27.780 6.764 243.203 1.00 0.00 C +ATOM 76 OG SER A 5 -27.763 7.421 241.942 1.00 0.00 O +ATOM 77 H SER A 5 -26.148 5.422 241.831 1.00 0.00 H +ATOM 78 HA SER A 5 -27.953 4.766 243.947 1.00 0.00 H +ATOM 79 HB2 SER A 5 -28.604 7.137 243.787 1.00 0.00 H +ATOM 80 HB3 SER A 5 -26.852 6.953 243.731 1.00 0.00 H +ATOM 81 HG SER A 5 -28.649 7.744 241.763 1.00 0.00 H +ATOM 82 N GLN A 6 -29.207 4.613 240.998 1.00 0.00 N +ATOM 83 CA GLN A 6 -30.475 4.310 240.271 1.00 0.00 C +ATOM 84 C GLN A 6 -31.066 2.992 240.766 1.00 0.00 C +ATOM 85 O GLN A 6 -32.263 2.790 240.701 1.00 0.00 O +ATOM 86 CB GLN A 6 -30.217 4.208 238.767 1.00 0.00 C +ATOM 87 CG GLN A 6 -31.533 3.889 238.051 1.00 0.12 C +ATOM 88 CD GLN A 6 -31.308 3.875 236.538 1.00 0.12 C +ATOM 89 OE1 GLN A 6 -30.247 4.230 236.068 1.00 0.73 O +ATOM 90 NE2 GLN A 6 -32.270 3.478 235.751 1.00 0.69 N +ATOM 91 H GLN A 6 -28.353 4.510 240.537 1.00 0.00 H +ATOM 92 HA GLN A 6 -31.201 5.092 240.448 1.00 0.00 H +ATOM 93 HB2 GLN A 6 -29.835 5.149 238.406 1.00 0.08 H +ATOM 94 HB3 GLN A 6 -29.502 3.425 238.573 1.00 0.08 H +ATOM 95 HG2 GLN A 6 -31.890 2.920 238.368 1.00 0.19 H +ATOM 96 HG3 GLN A 6 -32.268 4.641 238.296 1.00 0.20 H +ATOM 97 HE21 GLN A 6 -33.127 3.192 236.130 1.00 1.23 H +ATOM 98 HE22 GLN A 6 -32.135 3.466 234.780 1.00 0.69 H +ATOM 99 N THR A 7 -30.246 2.086 241.248 1.00 0.00 N +ATOM 100 CA THR A 7 -30.780 0.768 241.732 1.00 0.00 C +ATOM 101 C THR A 7 -30.314 0.485 243.160 1.00 0.00 C +ATOM 102 O THR A 7 -30.357 -0.646 243.604 1.00 0.00 O +ATOM 103 CB THR A 7 -30.298 -0.340 240.797 1.00 0.00 C +ATOM 104 OG1 THR A 7 -28.962 -0.692 241.130 1.00 0.06 O +ATOM 105 CG2 THR A 7 -30.349 0.155 239.351 1.00 0.07 C +ATOM 106 H THR A 7 -29.284 2.272 241.287 1.00 0.00 H +ATOM 107 HA THR A 7 -31.860 0.796 241.734 1.00 0.00 H +ATOM 108 HB THR A 7 -30.936 -1.198 240.899 1.00 0.05 H +ATOM 109 HG1 THR A 7 -28.483 -0.841 240.312 1.00 0.92 H +ATOM 110 HG21 THR A 7 -30.113 -0.660 238.683 1.00 0.94 H +ATOM 111 HG22 THR A 7 -29.629 0.949 239.217 1.00 0.93 H +ATOM 112 HG23 THR A 7 -31.339 0.526 239.132 1.00 0.95 H +ATOM 113 N CYS A 8 -29.888 1.488 243.901 1.00 0.00 N +ATOM 114 CA CYS A 8 -29.452 1.248 245.319 1.00 0.00 C +ATOM 115 C CYS A 8 -30.158 2.264 246.221 1.00 0.00 C +ATOM 116 O CYS A 8 -30.542 3.328 245.778 1.00 0.00 O +ATOM 117 CB CYS A 8 -27.931 1.390 245.430 1.00 0.00 C +ATOM 118 SG CYS A 8 -27.137 0.228 244.285 1.00 0.00 S +ATOM 119 H CYS A 8 -29.871 2.399 243.536 1.00 0.00 H +ATOM 120 HA CYS A 8 -29.752 0.254 245.607 1.00 0.00 H +ATOM 121 HB2 CYS A 8 -27.641 2.399 245.178 1.00 0.00 H +ATOM 122 HB3 CYS A 8 -27.620 1.167 246.441 1.00 0.00 H +ATOM 123 N TYR A 9 -30.357 1.945 247.476 1.00 0.00 N +ATOM 124 CA TYR A 9 -31.061 2.905 248.385 1.00 0.00 C +ATOM 125 C TYR A 9 -30.515 2.777 249.813 1.00 0.00 C +ATOM 126 O TYR A 9 -29.714 1.911 250.105 1.00 0.00 O +ATOM 127 CB TYR A 9 -32.565 2.615 248.361 1.00 0.00 C +ATOM 128 CG TYR A 9 -32.853 1.298 249.033 1.00 0.00 C +ATOM 129 CD1 TYR A 9 -32.757 0.096 248.306 1.00 0.00 C +ATOM 130 CD2 TYR A 9 -33.224 1.274 250.386 1.00 0.00 C +ATOM 131 CE1 TYR A 9 -33.033 -1.131 248.938 1.00 0.00 C +ATOM 132 CE2 TYR A 9 -33.503 0.048 251.020 1.00 0.00 C +ATOM 133 CZ TYR A 9 -33.406 -1.156 250.295 1.00 0.00 C +ATOM 134 OH TYR A 9 -33.681 -2.359 250.913 1.00 0.00 O +ATOM 135 H TYR A 9 -30.062 1.073 247.814 1.00 0.00 H +ATOM 136 HA TYR A 9 -30.900 3.914 248.028 1.00 0.00 H +ATOM 137 HB2 TYR A 9 -33.088 3.403 248.881 1.00 0.00 H +ATOM 138 HB3 TYR A 9 -32.904 2.577 247.337 1.00 0.00 H +ATOM 139 HD1 TYR A 9 -32.470 0.116 247.264 1.00 0.00 H +ATOM 140 HD2 TYR A 9 -33.295 2.200 250.936 1.00 0.00 H +ATOM 141 HE1 TYR A 9 -32.955 -2.053 248.382 1.00 0.00 H +ATOM 142 HE2 TYR A 9 -33.789 0.030 252.062 1.00 0.00 H +ATOM 143 HH TYR A 9 -33.016 -2.503 251.589 1.00 0.00 H +ATOM 144 N ASN A 10 -30.916 3.658 250.693 1.00 0.00 N +ATOM 145 CA ASN A 10 -30.402 3.623 252.100 1.00 0.00 C +ATOM 146 C ASN A 10 -28.873 3.696 252.087 1.00 0.00 C +ATOM 147 O ASN A 10 -28.204 3.088 252.900 1.00 0.00 O +ATOM 148 CB ASN A 10 -30.862 2.340 252.814 1.00 0.00 C +ATOM 149 CG ASN A 10 -32.307 2.501 253.296 1.00 0.00 C +ATOM 150 OD1 ASN A 10 -32.882 3.566 253.185 1.00 0.00 O +ATOM 151 ND2 ASN A 10 -32.919 1.486 253.838 1.00 0.00 N +ATOM 152 H ASN A 10 -31.539 4.365 250.424 1.00 0.00 H +ATOM 153 HA ASN A 10 -30.782 4.485 252.634 1.00 0.00 H +ATOM 154 HB2 ASN A 10 -30.803 1.506 252.133 1.00 0.00 H +ATOM 155 HB3 ASN A 10 -30.223 2.151 253.666 1.00 0.00 H +ATOM 156 HD21 ASN A 10 -32.455 0.628 253.933 1.00 0.00 H +ATOM 157 HD22 ASN A 10 -33.843 1.580 254.149 1.00 0.00 H +ATOM 158 N SER A 11 -28.316 4.438 251.170 1.00 0.00 N +ATOM 159 CA SER A 11 -26.833 4.561 251.104 1.00 0.00 C +ATOM 160 C SER A 11 -26.323 5.319 252.329 1.00 0.00 C +ATOM 161 O SER A 11 -26.957 6.226 252.830 1.00 0.00 O +ATOM 162 CB SER A 11 -26.433 5.318 249.837 1.00 0.00 C +ATOM 163 OG SER A 11 -26.691 4.501 248.703 1.00 0.00 O +ATOM 164 H SER A 11 -28.876 4.909 250.518 1.00 0.00 H +ATOM 165 HA SER A 11 -26.379 3.583 251.096 1.00 0.00 H +ATOM 166 HB2 SER A 11 -27.009 6.225 249.758 1.00 0.00 H +ATOM 167 HB3 SER A 11 -25.380 5.566 249.883 1.00 0.00 H +ATOM 168 HG SER A 11 -26.659 5.058 247.921 1.00 0.00 H +ATOM 169 N ALA A 12 -25.175 4.932 252.812 1.00 0.00 N +ATOM 170 CA ALA A 12 -24.601 5.602 254.019 1.00 0.00 C +ATOM 171 C ALA A 12 -23.075 5.663 253.892 1.00 0.00 C +ATOM 172 O ALA A 12 -22.463 4.858 253.218 1.00 0.00 O +ATOM 173 CB ALA A 12 -24.992 4.781 255.257 1.00 0.00 C +ATOM 174 H ALA A 12 -24.702 4.186 252.388 1.00 0.00 H +ATOM 175 HA ALA A 12 -25.000 6.603 254.107 1.00 0.00 H +ATOM 176 HB1 ALA A 12 -25.977 4.363 255.112 1.00 0.00 H +ATOM 177 HB2 ALA A 12 -24.999 5.422 256.127 1.00 0.00 H +ATOM 178 HB3 ALA A 12 -24.283 3.979 255.408 1.00 0.00 H +ATOM 179 N ILE A 13 -22.463 6.621 254.547 1.00 0.00 N +ATOM 180 CA ILE A 13 -20.973 6.754 254.495 1.00 0.00 C +ATOM 181 C ILE A 13 -20.427 6.983 255.901 1.00 0.00 C +ATOM 182 O ILE A 13 -20.924 7.792 256.657 1.00 0.00 O +ATOM 183 CB ILE A 13 -20.564 7.922 253.569 1.00 0.00 C +ATOM 184 CG1 ILE A 13 -20.805 7.498 252.108 1.00 0.00 C +ATOM 185 CG2 ILE A 13 -19.072 8.260 253.780 1.00 0.00 C +ATOM 186 CD1 ILE A 13 -20.806 8.709 251.162 1.00 0.00 C +ATOM 187 H ILE A 13 -22.996 7.246 255.083 1.00 0.00 H +ATOM 188 HA ILE A 13 -20.538 5.842 254.111 1.00 0.00 H +ATOM 189 HB ILE A 13 -21.144 8.806 253.809 1.00 0.00 H +ATOM 190 HG12 ILE A 13 -20.021 6.820 251.810 1.00 0.00 H +ATOM 191 HG13 ILE A 13 -21.755 6.991 252.035 1.00 0.00 H +ATOM 192 HG21 ILE A 13 -18.668 8.719 252.891 1.00 0.00 H +ATOM 193 HG22 ILE A 13 -18.521 7.356 253.994 1.00 0.00 H +ATOM 194 HG23 ILE A 13 -18.971 8.945 254.611 1.00 0.00 H +ATOM 195 HD11 ILE A 13 -21.277 9.551 251.643 1.00 0.00 H +ATOM 196 HD12 ILE A 13 -21.352 8.459 250.263 1.00 0.00 H +ATOM 197 HD13 ILE A 13 -19.792 8.966 250.899 1.00 0.00 H +ATOM 198 N GLN A 14 -19.381 6.276 256.236 1.00 0.00 N +ATOM 199 CA GLN A 14 -18.744 6.438 257.575 1.00 0.00 C +ATOM 200 C GLN A 14 -17.236 6.483 257.357 1.00 0.00 C +ATOM 201 O GLN A 14 -16.626 5.513 256.954 1.00 0.00 O +ATOM 202 CB GLN A 14 -19.095 5.251 258.473 1.00 0.00 C +ATOM 203 CG GLN A 14 -18.461 5.463 259.847 1.00 0.00 C +ATOM 204 CD GLN A 14 -18.994 4.420 260.830 1.00 0.00 C +ATOM 205 OE1 GLN A 14 -19.902 3.679 260.513 1.00 0.00 O +ATOM 206 NE2 GLN A 14 -18.475 4.345 262.024 1.00 0.00 N +ATOM 207 H GLN A 14 -18.993 5.647 255.591 1.00 0.00 H +ATOM 208 HA GLN A 14 -19.073 7.359 258.040 1.00 0.00 H +ATOM 209 HB2 GLN A 14 -20.169 5.179 258.574 1.00 0.00 H +ATOM 210 HB3 GLN A 14 -18.711 4.342 258.036 1.00 0.00 H +ATOM 211 HG2 GLN A 14 -17.389 5.365 259.766 1.00 0.00 H +ATOM 212 HG3 GLN A 14 -18.705 6.451 260.207 1.00 0.00 H +ATOM 213 HE21 GLN A 14 -17.752 4.954 262.284 1.00 0.00 H +ATOM 214 HE22 GLN A 14 -18.811 3.682 262.661 1.00 0.00 H +ATOM 215 N GLY A 15 -16.636 7.606 257.588 1.00 0.00 N +ATOM 216 CA GLY A 15 -15.176 7.699 257.347 1.00 0.00 C +ATOM 217 C GLY A 15 -14.944 7.646 255.834 1.00 0.00 C +ATOM 218 O GLY A 15 -15.427 8.486 255.102 1.00 0.00 O +ATOM 219 H GLY A 15 -17.146 8.395 257.888 1.00 0.00 H +ATOM 220 HA2 GLY A 15 -14.799 8.631 257.745 1.00 0.00 H +ATOM 221 HA3 GLY A 15 -14.673 6.868 257.816 1.00 0.00 H +ATOM 222 N SER A 16 -14.240 6.649 255.354 1.00 0.00 N +ATOM 223 CA SER A 16 -14.000 6.517 253.877 1.00 0.00 C +ATOM 224 C SER A 16 -14.754 5.293 253.332 1.00 0.00 C +ATOM 225 O SER A 16 -14.610 4.934 252.180 1.00 0.00 O +ATOM 226 CB SER A 16 -12.502 6.331 253.629 1.00 0.00 C +ATOM 227 OG SER A 16 -12.077 5.107 254.216 1.00 0.00 O +ATOM 228 H SER A 16 -13.898 5.961 255.961 1.00 0.00 H +ATOM 229 HA SER A 16 -14.335 7.407 253.360 1.00 0.00 H +ATOM 230 HB2 SER A 16 -12.312 6.301 252.569 1.00 0.00 H +ATOM 231 HB3 SER A 16 -11.960 7.159 254.067 1.00 0.00 H +ATOM 232 HG SER A 16 -11.840 4.505 253.506 1.00 0.00 H +ATOM 233 N VAL A 17 -15.527 4.624 254.155 1.00 0.00 N +ATOM 234 CA VAL A 17 -16.248 3.390 253.684 1.00 0.00 C +ATOM 235 C VAL A 17 -17.664 3.704 253.171 1.00 0.00 C +ATOM 236 O VAL A 17 -18.505 4.220 253.882 1.00 0.00 O +ATOM 237 CB VAL A 17 -16.333 2.388 254.851 1.00 0.00 C +ATOM 238 CG1 VAL A 17 -17.195 1.181 254.436 1.00 0.00 C +ATOM 239 CG2 VAL A 17 -14.905 1.923 255.251 1.00 0.00 C +ATOM 240 H VAL A 17 -15.612 4.911 255.089 1.00 0.00 H +ATOM 241 HA VAL A 17 -15.679 2.943 252.881 1.00 0.00 H +ATOM 242 HB VAL A 17 -16.796 2.880 255.696 1.00 0.00 H +ATOM 243 HG11 VAL A 17 -16.858 0.811 253.478 1.00 0.00 H +ATOM 244 HG12 VAL A 17 -18.229 1.484 254.360 1.00 0.00 H +ATOM 245 HG13 VAL A 17 -17.111 0.398 255.174 1.00 0.00 H +ATOM 246 HG21 VAL A 17 -14.925 0.895 255.587 1.00 0.00 H +ATOM 247 HG22 VAL A 17 -14.536 2.548 256.054 1.00 0.00 H +ATOM 248 HG23 VAL A 17 -14.235 2.003 254.407 1.00 0.00 H +ATOM 249 N LEU A 18 -17.932 3.333 251.950 1.00 0.00 N +ATOM 250 CA LEU A 18 -19.299 3.524 251.372 1.00 0.00 C +ATOM 251 C LEU A 18 -20.070 2.220 251.591 1.00 0.00 C +ATOM 252 O LEU A 18 -19.607 1.153 251.249 1.00 0.00 O +ATOM 253 CB LEU A 18 -19.194 3.829 249.870 1.00 0.00 C +ATOM 254 CG LEU A 18 -20.573 3.785 249.190 1.00 0.00 C +ATOM 255 CD1 LEU A 18 -21.508 4.822 249.824 1.00 0.00 C +ATOM 256 CD2 LEU A 18 -20.403 4.103 247.701 1.00 0.00 C +ATOM 257 H LEU A 18 -17.246 2.872 251.409 1.00 0.00 H +ATOM 258 HA LEU A 18 -19.835 4.312 251.878 1.00 0.00 H +ATOM 259 HB2 LEU A 18 -18.772 4.811 249.746 1.00 0.00 H +ATOM 260 HB3 LEU A 18 -18.546 3.102 249.400 1.00 0.00 H +ATOM 261 HG LEU A 18 -21.005 2.801 249.295 1.00 0.00 H +ATOM 262 HD11 LEU A 18 -22.346 5.002 249.166 1.00 0.00 H +ATOM 263 HD12 LEU A 18 -20.969 5.744 249.978 1.00 0.00 H +ATOM 264 HD13 LEU A 18 -21.869 4.450 250.770 1.00 0.00 H +ATOM 265 HD21 LEU A 18 -20.162 5.149 247.580 1.00 0.00 H +ATOM 266 HD22 LEU A 18 -21.323 3.884 247.178 1.00 0.00 H +ATOM 267 HD23 LEU A 18 -19.605 3.500 247.293 1.00 0.00 H +ATOM 268 N THR A 19 -21.249 2.306 252.158 1.00 0.00 N +ATOM 269 CA THR A 19 -22.073 1.082 252.417 1.00 0.00 C +ATOM 270 C THR A 19 -23.475 1.297 251.839 1.00 0.00 C +ATOM 271 O THR A 19 -24.097 2.314 252.074 1.00 0.00 O +ATOM 272 CB THR A 19 -22.148 0.877 253.938 1.00 0.00 C +ATOM 273 OG1 THR A 19 -20.834 0.673 254.436 1.00 0.00 O +ATOM 274 CG2 THR A 19 -23.023 -0.336 254.331 1.00 0.00 C +ATOM 275 H THR A 19 -21.612 3.179 252.414 1.00 0.00 H +ATOM 276 HA THR A 19 -21.618 0.218 251.954 1.00 0.00 H +ATOM 277 HB THR A 19 -22.558 1.770 254.390 1.00 0.00 H +ATOM 278 HG1 THR A 19 -20.485 1.524 254.712 1.00 0.00 H +ATOM 279 HG21 THR A 19 -23.571 -0.696 253.472 1.00 0.00 H +ATOM 280 HG22 THR A 19 -23.722 -0.050 255.107 1.00 0.00 H +ATOM 281 HG23 THR A 19 -22.388 -1.126 254.701 1.00 0.00 H +ATOM 282 N SER A 20 -23.982 0.372 251.081 1.00 0.00 N +ATOM 283 CA SER A 20 -25.346 0.598 250.510 1.00 0.00 C +ATOM 284 C SER A 20 -26.016 -0.727 250.139 1.00 0.00 C +ATOM 285 O SER A 20 -25.365 -1.724 249.892 1.00 0.00 O +ATOM 286 CB SER A 20 -25.216 1.462 249.254 1.00 0.00 C +ATOM 287 OG SER A 20 -26.501 1.928 248.867 1.00 0.00 O +ATOM 288 H SER A 20 -23.485 -0.461 250.872 1.00 0.00 H +ATOM 289 HA SER A 20 -25.952 1.126 251.236 1.00 0.00 H +ATOM 290 HB2 SER A 20 -24.578 2.305 249.457 1.00 0.00 H +ATOM 291 HB3 SER A 20 -24.784 0.871 248.457 1.00 0.00 H +ATOM 292 HG SER A 20 -27.111 1.188 248.905 1.00 0.00 H +ATOM 293 N THR A 21 -27.324 -0.723 250.074 1.00 0.00 N +ATOM 294 CA THR A 21 -28.068 -1.964 249.688 1.00 0.00 C +ATOM 295 C THR A 21 -28.403 -1.843 248.201 1.00 0.00 C +ATOM 296 O THR A 21 -29.030 -0.889 247.785 1.00 0.00 O +ATOM 297 CB THR A 21 -29.355 -2.065 250.516 1.00 0.00 C +ATOM 298 OG1 THR A 21 -29.015 -2.174 251.891 1.00 0.00 O +ATOM 299 CG2 THR A 21 -30.161 -3.296 250.091 1.00 0.00 C +ATOM 300 H THR A 21 -27.821 0.101 250.257 1.00 0.00 H +ATOM 301 HA THR A 21 -27.443 -2.830 249.858 1.00 0.00 H +ATOM 302 HB THR A 21 -29.947 -1.176 250.364 1.00 0.00 H +ATOM 303 HG1 THR A 21 -29.802 -2.440 252.371 1.00 0.00 H +ATOM 304 HG21 THR A 21 -31.058 -3.360 250.688 1.00 0.00 H +ATOM 305 HG22 THR A 21 -29.566 -4.185 250.241 1.00 0.00 H +ATOM 306 HG23 THR A 21 -30.429 -3.214 249.049 1.00 0.00 H +ATOM 307 N CYS A 22 -27.977 -2.789 247.394 1.00 0.00 N +ATOM 308 CA CYS A 22 -28.254 -2.712 245.921 1.00 0.00 C +ATOM 309 C CYS A 22 -29.064 -3.916 245.451 1.00 0.00 C +ATOM 310 O CYS A 22 -29.023 -4.982 246.037 1.00 0.00 O +ATOM 311 CB CYS A 22 -26.925 -2.665 245.168 1.00 0.00 C +ATOM 312 SG CYS A 22 -26.131 -1.065 245.472 1.00 0.00 S +ATOM 313 H CYS A 22 -27.468 -3.544 247.753 1.00 0.00 H +ATOM 314 HA CYS A 22 -28.800 -1.814 245.699 1.00 0.00 H +ATOM 315 HB2 CYS A 22 -26.283 -3.461 245.519 1.00 0.00 H +ATOM 316 HB3 CYS A 22 -27.104 -2.785 244.110 1.00 0.00 H +ATOM 317 N GLU A 23 -29.801 -3.746 244.387 1.00 0.00 N +ATOM 318 CA GLU A 23 -30.620 -4.863 243.852 1.00 0.00 C +ATOM 319 C GLU A 23 -29.783 -5.750 242.933 1.00 0.00 C +ATOM 320 O GLU A 23 -28.967 -5.293 242.157 1.00 0.00 O +ATOM 321 CB GLU A 23 -31.823 -4.304 243.079 1.00 0.00 C +ATOM 322 CG GLU A 23 -31.403 -3.887 241.666 1.00 0.01 C +ATOM 323 CD GLU A 23 -32.555 -3.136 240.995 1.00 0.01 C +ATOM 324 OE1 GLU A 23 -33.605 -3.034 241.606 1.00 1.06 O +ATOM 325 OE2 GLU A 23 -32.367 -2.678 239.880 1.00 1.06 O +ATOM 326 H GLU A 23 -29.812 -2.877 243.938 1.00 0.00 H +ATOM 327 HA GLU A 23 -30.981 -5.469 244.660 1.00 0.00 H +ATOM 328 HB2 GLU A 23 -32.589 -5.063 243.014 1.00 0.01 H +ATOM 329 HB3 GLU A 23 -32.216 -3.445 243.602 1.00 0.01 H +ATOM 330 HG2 GLU A 23 -30.534 -3.250 241.723 1.00 0.02 H +ATOM 331 HG3 GLU A 23 -31.168 -4.765 241.084 1.00 0.02 H +ATOM 332 N ARG A 24 -30.018 -7.024 243.022 1.00 0.00 N +ATOM 333 CA ARG A 24 -29.304 -8.018 242.178 1.00 0.00 C +ATOM 334 C ARG A 24 -29.941 -8.090 240.800 1.00 0.00 C +ATOM 335 O ARG A 24 -31.108 -7.802 240.617 1.00 0.00 O +ATOM 336 CB ARG A 24 -29.444 -9.396 242.814 1.00 0.00 C +ATOM 337 CG ARG A 24 -28.625 -9.468 244.104 1.00 0.00 C +ATOM 338 CD ARG A 24 -28.755 -10.873 244.713 1.00 0.00 C +ATOM 339 NE ARG A 24 -27.516 -11.178 245.474 1.00 0.00 N +ATOM 340 CZ ARG A 24 -27.453 -12.245 246.217 1.00 0.00 C +ATOM 341 NH1 ARG A 24 -28.480 -13.047 246.291 1.00 0.00 N +ATOM 342 NH2 ARG A 24 -26.362 -12.517 246.875 1.00 0.00 N +ATOM 343 H ARG A 24 -30.698 -7.340 243.653 1.00 0.00 H +ATOM 344 HA ARG A 24 -28.252 -7.798 242.062 1.00 0.00 H +ATOM 345 HB2 ARG A 24 -30.482 -9.582 243.038 1.00 0.00 H +ATOM 346 HB3 ARG A 24 -29.086 -10.148 242.124 1.00 0.00 H +ATOM 347 HG2 ARG A 24 -27.586 -9.262 243.883 1.00 0.00 H +ATOM 348 HG3 ARG A 24 -28.994 -8.735 244.806 1.00 0.00 H +ATOM 349 HD2 ARG A 24 -29.597 -10.906 245.383 1.00 0.00 H +ATOM 350 HD3 ARG A 24 -28.900 -11.608 243.928 1.00 0.00 H +ATOM 351 HE ARG A 24 -26.747 -10.577 245.412 1.00 0.00 H +ATOM 352 HH11 ARG A 24 -29.313 -12.840 245.778 1.00 0.00 H +ATOM 353 HH12 ARG A 24 -28.433 -13.869 246.858 1.00 0.00 H +ATOM 354 HH21 ARG A 24 -25.574 -11.905 246.808 1.00 0.00 H +ATOM 355 HH22 ARG A 24 -26.309 -13.339 247.443 1.00 0.00 H +ATOM 356 N THR A 25 -29.175 -8.495 239.828 1.00 0.00 N +ATOM 357 CA THR A 25 -29.714 -8.618 238.456 1.00 0.00 C +ATOM 358 C THR A 25 -30.862 -9.622 238.484 1.00 0.00 C +ATOM 359 O THR A 25 -31.851 -9.470 237.795 1.00 0.00 O +ATOM 360 CB THR A 25 -28.617 -9.127 237.517 1.00 0.00 C +ATOM 361 OG1 THR A 25 -27.477 -8.288 237.624 1.00 0.03 O +ATOM 362 CG2 THR A 25 -29.130 -9.115 236.076 1.00 0.03 C +ATOM 363 H THR A 25 -28.240 -8.732 240.010 1.00 0.00 H +ATOM 364 HA THR A 25 -30.069 -7.660 238.116 1.00 0.00 H +ATOM 365 HB THR A 25 -28.349 -10.136 237.790 1.00 0.02 H +ATOM 366 HG1 THR A 25 -26.709 -8.793 237.347 1.00 0.77 H +ATOM 367 HG21 THR A 25 -28.291 -9.104 235.395 1.00 0.99 H +ATOM 368 HG22 THR A 25 -29.734 -8.234 235.916 1.00 1.00 H +ATOM 369 HG23 THR A 25 -29.726 -9.998 235.898 1.00 1.01 H +ATOM 370 N ASN A 26 -30.707 -10.689 239.234 1.00 0.00 N +ATOM 371 CA ASN A 26 -31.764 -11.748 239.260 1.00 0.00 C +ATOM 372 C ASN A 26 -32.810 -11.416 240.341 1.00 0.00 C +ATOM 373 O ASN A 26 -33.455 -12.295 240.877 1.00 0.00 O +ATOM 374 CB ASN A 26 -31.079 -13.107 239.562 1.00 0.00 C +ATOM 375 CG ASN A 26 -31.371 -14.140 238.475 1.00 0.00 C +ATOM 376 OD1 ASN A 26 -31.194 -13.880 237.304 1.00 0.00 O +ATOM 377 ND2 ASN A 26 -31.812 -15.318 238.824 1.00 0.00 N +ATOM 378 H ASN A 26 -29.878 -10.834 239.733 1.00 0.00 H +ATOM 379 HA ASN A 26 -32.233 -11.737 238.290 1.00 0.00 H +ATOM 380 HB2 ASN A 26 -30.006 -12.960 239.624 1.00 0.00 H +ATOM 381 HB3 ASN A 26 -31.427 -13.492 240.509 1.00 0.00 H +ATOM 382 HD21 ASN A 26 -31.955 -15.530 239.773 1.00 0.00 H +ATOM 383 HD22 ASN A 26 -31.995 -15.989 238.139 1.00 0.00 H +ATOM 384 N GLY A 27 -32.978 -10.167 240.667 1.00 0.00 N +ATOM 385 CA GLY A 27 -33.975 -9.809 241.716 1.00 0.00 C +ATOM 386 C GLY A 27 -33.421 -10.202 243.087 1.00 0.00 C +ATOM 387 O GLY A 27 -32.523 -11.012 243.187 1.00 0.00 O +ATOM 388 H GLY A 27 -32.451 -9.464 240.232 1.00 0.00 H +ATOM 389 HA2 GLY A 27 -34.163 -8.744 241.689 1.00 0.00 H +ATOM 390 HA3 GLY A 27 -34.896 -10.343 241.538 1.00 0.00 H +ATOM 391 N GLY A 28 -33.887 -9.567 244.132 1.00 0.00 N +ATOM 392 CA GLY A 28 -33.319 -9.837 245.497 1.00 0.00 C +ATOM 393 C GLY A 28 -32.425 -8.640 245.842 1.00 0.00 C +ATOM 394 O GLY A 28 -32.022 -7.911 244.959 1.00 0.00 O +ATOM 395 H GLY A 28 -34.520 -8.829 244.005 1.00 0.00 H +ATOM 396 HA2 GLY A 28 -34.107 -9.948 246.227 1.00 0.00 H +ATOM 397 HA3 GLY A 28 -32.687 -10.716 245.477 1.00 0.00 H +ATOM 398 N TYR A 29 -32.093 -8.426 247.096 1.00 0.00 N +ATOM 399 CA TYR A 29 -31.207 -7.261 247.446 1.00 0.00 C +ATOM 400 C TYR A 29 -29.889 -7.759 248.043 1.00 0.00 C +ATOM 401 O TYR A 29 -29.839 -8.752 248.740 1.00 0.00 O +ATOM 402 CB TYR A 29 -31.916 -6.354 248.465 1.00 0.00 C +ATOM 403 CG TYR A 29 -32.921 -5.476 247.747 1.00 0.00 C +ATOM 404 CD1 TYR A 29 -32.480 -4.371 246.983 1.00 0.00 C +ATOM 405 CD2 TYR A 29 -34.297 -5.764 247.837 1.00 0.00 C +ATOM 406 CE1 TYR A 29 -33.419 -3.561 246.315 1.00 0.00 C +ATOM 407 CE2 TYR A 29 -35.232 -4.952 247.167 1.00 0.00 C +ATOM 408 CZ TYR A 29 -34.794 -3.851 246.408 1.00 0.00 C +ATOM 409 OH TYR A 29 -35.711 -3.057 245.753 1.00 0.00 O +ATOM 410 H TYR A 29 -32.413 -9.003 247.820 1.00 0.00 H +ATOM 411 HA TYR A 29 -30.977 -6.676 246.572 1.00 0.00 H +ATOM 412 HB2 TYR A 29 -32.429 -6.964 249.195 1.00 0.00 H +ATOM 413 HB3 TYR A 29 -31.190 -5.728 248.967 1.00 0.00 H +ATOM 414 HD1 TYR A 29 -31.420 -4.144 246.906 1.00 0.00 H +ATOM 415 HD2 TYR A 29 -34.634 -6.608 248.420 1.00 0.00 H +ATOM 416 HE1 TYR A 29 -33.084 -2.715 245.732 1.00 0.00 H +ATOM 417 HE2 TYR A 29 -36.287 -5.175 247.238 1.00 0.00 H +ATOM 418 HH TYR A 29 -36.258 -3.624 245.205 1.00 0.00 H +ATOM 419 N ASN A 30 -28.822 -7.050 247.770 1.00 0.00 N +ATOM 420 CA ASN A 30 -27.474 -7.434 248.297 1.00 0.00 C +ATOM 421 C ASN A 30 -26.870 -6.229 249.018 1.00 0.00 C +ATOM 422 O ASN A 30 -27.115 -5.096 248.652 1.00 0.00 O +ATOM 423 CB ASN A 30 -26.572 -7.842 247.125 1.00 0.00 C +ATOM 424 CG ASN A 30 -25.212 -8.301 247.656 1.00 0.00 C +ATOM 425 OD1 ASN A 30 -25.100 -8.731 248.788 1.00 0.00 O +ATOM 426 ND2 ASN A 30 -24.164 -8.229 246.881 1.00 0.00 N +ATOM 427 H ASN A 30 -28.910 -6.251 247.206 1.00 0.00 H +ATOM 428 HA ASN A 30 -27.561 -8.260 248.991 1.00 0.00 H +ATOM 429 HB2 ASN A 30 -27.039 -8.651 246.580 1.00 0.00 H +ATOM 430 HB3 ASN A 30 -26.433 -6.998 246.466 1.00 0.00 H +ATOM 431 HD21 ASN A 30 -24.253 -7.883 245.967 1.00 0.00 H +ATOM 432 HD22 ASN A 30 -23.288 -8.521 247.209 1.00 0.00 H +ATOM 433 N THR A 31 -26.101 -6.464 250.058 1.00 0.00 N +ATOM 434 CA THR A 31 -25.490 -5.340 250.842 1.00 0.00 C +ATOM 435 C THR A 31 -23.968 -5.477 250.785 1.00 0.00 C +ATOM 436 O THR A 31 -23.432 -6.539 251.030 1.00 0.00 O +ATOM 437 CB THR A 31 -25.993 -5.484 252.279 1.00 0.00 C +ATOM 438 OG1 THR A 31 -27.410 -5.401 252.277 1.00 0.00 O +ATOM 439 CG2 THR A 31 -25.442 -4.405 253.213 1.00 0.00 C +ATOM 440 H THR A 31 -25.937 -7.389 250.336 1.00 0.00 H +ATOM 441 HA THR A 31 -25.820 -4.403 250.423 1.00 0.00 H +ATOM 442 HB THR A 31 -25.700 -6.451 252.656 1.00 0.00 H +ATOM 443 HG1 THR A 31 -27.697 -5.195 253.170 1.00 0.00 H +ATOM 444 HG21 THR A 31 -25.813 -4.571 254.214 1.00 0.00 H +ATOM 445 HG22 THR A 31 -25.759 -3.432 252.869 1.00 0.00 H +ATOM 446 HG23 THR A 31 -24.362 -4.450 253.218 1.00 0.00 H +ATOM 447 N SER A 32 -23.258 -4.434 250.455 1.00 0.00 N +ATOM 448 CA SER A 32 -21.773 -4.558 250.374 1.00 0.00 C +ATOM 449 C SER A 32 -21.103 -3.220 250.681 1.00 0.00 C +ATOM 450 O SER A 32 -21.731 -2.180 250.737 1.00 0.00 O +ATOM 451 CB SER A 32 -21.375 -5.018 248.972 1.00 0.00 C +ATOM 452 OG SER A 32 -21.715 -4.007 248.032 1.00 0.00 O +ATOM 453 H SER A 32 -23.688 -3.577 250.249 1.00 0.00 H +ATOM 454 HA SER A 32 -21.418 -5.276 251.099 1.00 0.00 H +ATOM 455 HB2 SER A 32 -20.312 -5.193 248.935 1.00 0.00 H +ATOM 456 HB3 SER A 32 -21.897 -5.936 248.735 1.00 0.00 H +ATOM 457 HG SER A 32 -22.324 -4.388 247.394 1.00 0.00 H +ATOM 458 N SER A 33 -19.814 -3.259 250.889 1.00 0.00 N +ATOM 459 CA SER A 33 -19.046 -2.023 251.210 1.00 0.00 C +ATOM 460 C SER A 33 -17.719 -2.027 250.453 1.00 0.00 C +ATOM 461 O SER A 33 -17.139 -3.061 250.189 1.00 0.00 O +ATOM 462 CB SER A 33 -18.776 -1.975 252.717 1.00 0.00 C +ATOM 463 OG SER A 33 -19.969 -1.596 253.393 1.00 0.00 O +ATOM 464 H SER A 33 -19.354 -4.122 250.840 1.00 0.00 H +ATOM 465 HA SER A 33 -19.600 -1.142 250.925 1.00 0.00 H +ATOM 466 HB2 SER A 33 -18.472 -2.950 253.061 1.00 0.00 H +ATOM 467 HB3 SER A 33 -17.988 -1.260 252.925 1.00 0.00 H +ATOM 468 HG SER A 33 -20.126 -2.230 254.096 1.00 0.00 H +ATOM 469 N ILE A 34 -17.235 -0.864 250.106 1.00 0.00 N +ATOM 470 CA ILE A 34 -15.945 -0.762 249.363 1.00 0.00 C +ATOM 471 C ILE A 34 -15.178 0.466 249.859 1.00 0.00 C +ATOM 472 O ILE A 34 -15.753 1.504 250.118 1.00 0.00 O +ATOM 473 CB ILE A 34 -16.248 -0.626 247.866 1.00 0.00 C +ATOM 474 CG1 ILE A 34 -14.947 -0.765 247.061 1.00 0.00 C +ATOM 475 CG2 ILE A 34 -16.896 0.737 247.583 1.00 0.00 C +ATOM 476 CD1 ILE A 34 -15.273 -0.890 245.569 1.00 0.00 C +ATOM 477 H ILE A 34 -17.731 -0.050 250.336 1.00 0.00 H +ATOM 478 HA ILE A 34 -15.350 -1.650 249.533 1.00 0.00 H +ATOM 479 HB ILE A 34 -16.936 -1.408 247.576 1.00 0.00 H +ATOM 480 HG12 ILE A 34 -14.324 0.102 247.224 1.00 0.00 H +ATOM 481 HG13 ILE A 34 -14.419 -1.650 247.384 1.00 0.00 H +ATOM 482 HG21 ILE A 34 -17.407 0.701 246.632 1.00 0.00 H +ATOM 483 HG22 ILE A 34 -16.136 1.504 247.553 1.00 0.00 H +ATOM 484 HG23 ILE A 34 -17.608 0.968 248.363 1.00 0.00 H +ATOM 485 HD11 ILE A 34 -15.565 0.075 245.183 1.00 0.00 H +ATOM 486 HD12 ILE A 34 -16.080 -1.593 245.430 1.00 0.00 H +ATOM 487 HD13 ILE A 34 -14.399 -1.238 245.039 1.00 0.00 H +ATOM 488 N ASP A 35 -13.885 0.358 250.003 1.00 0.00 N +ATOM 489 CA ASP A 35 -13.091 1.522 250.496 1.00 0.00 C +ATOM 490 C ASP A 35 -12.815 2.478 249.332 1.00 0.00 C +ATOM 491 O ASP A 35 -12.127 2.136 248.392 1.00 0.00 O +ATOM 492 CB ASP A 35 -11.762 1.022 251.073 1.00 0.00 C +ATOM 493 CG ASP A 35 -11.075 2.163 251.830 1.00 0.00 C +ATOM 494 OD1 ASP A 35 -11.540 3.285 251.717 1.00 0.00 O +ATOM 495 OD2 ASP A 35 -10.093 1.894 252.502 1.00 0.00 O +ATOM 496 H ASP A 35 -13.437 -0.489 249.795 1.00 0.00 H +ATOM 497 HA ASP A 35 -13.648 2.034 251.270 1.00 0.00 H +ATOM 498 HB2 ASP A 35 -11.950 0.199 251.752 1.00 0.00 H +ATOM 499 HB3 ASP A 35 -11.120 0.686 250.268 1.00 0.00 H +ATOM 500 N LEU A 36 -13.321 3.684 249.392 1.00 0.00 N +ATOM 501 CA LEU A 36 -13.056 4.651 248.284 1.00 0.00 C +ATOM 502 C LEU A 36 -11.664 5.252 248.475 1.00 0.00 C +ATOM 503 O LEU A 36 -11.208 6.051 247.682 1.00 0.00 O +ATOM 504 CB LEU A 36 -14.075 5.795 248.295 1.00 0.00 C +ATOM 505 CG LEU A 36 -15.515 5.270 248.253 1.00 0.00 C +ATOM 506 CD1 LEU A 36 -16.468 6.398 248.666 1.00 0.00 C +ATOM 507 CD2 LEU A 36 -15.873 4.835 246.828 1.00 0.00 C +ATOM 508 H LEU A 36 -13.851 3.961 250.168 1.00 0.00 H +ATOM 509 HA LEU A 36 -13.083 4.141 247.335 1.00 0.00 H +ATOM 510 HB2 LEU A 36 -13.934 6.389 249.186 1.00 0.00 H +ATOM 511 HB3 LEU A 36 -13.905 6.416 247.427 1.00 0.00 H +ATOM 512 HG LEU A 36 -15.629 4.428 248.922 1.00 0.00 H +ATOM 513 HD11 LEU A 36 -16.188 7.309 248.154 1.00 0.00 H +ATOM 514 HD12 LEU A 36 -16.405 6.552 249.733 1.00 0.00 H +ATOM 515 HD13 LEU A 36 -17.478 6.136 248.397 1.00 0.00 H +ATOM 516 HD21 LEU A 36 -15.187 4.075 246.493 1.00 0.00 H +ATOM 517 HD22 LEU A 36 -15.819 5.687 246.168 1.00 0.00 H +ATOM 518 HD23 LEU A 36 -16.877 4.437 246.819 1.00 0.00 H +ATOM 519 N ASN A 37 -10.992 4.904 249.530 1.00 0.00 N +ATOM 520 CA ASN A 37 -9.649 5.491 249.771 1.00 0.00 C +ATOM 521 C ASN A 37 -8.717 5.155 248.602 1.00 0.00 C +ATOM 522 O ASN A 37 -7.895 5.956 248.206 1.00 0.00 O +ATOM 523 CB ASN A 37 -9.074 4.920 251.070 1.00 0.00 C +ATOM 524 CG ASN A 37 -7.714 5.555 251.345 1.00 0.00 C +ATOM 525 OD1 ASN A 37 -6.815 5.470 250.531 1.00 0.00 O +ATOM 526 ND2 ASN A 37 -7.527 6.193 252.466 1.00 0.00 N +ATOM 527 H ASN A 37 -11.378 4.289 250.188 1.00 0.00 H +ATOM 528 HA ASN A 37 -9.750 6.562 249.858 1.00 0.00 H +ATOM 529 HB2 ASN A 37 -9.746 5.135 251.890 1.00 0.00 H +ATOM 530 HB3 ASN A 37 -8.955 3.849 250.973 1.00 0.00 H +ATOM 531 HD21 ASN A 37 -8.253 6.258 253.119 1.00 0.00 H +ATOM 532 HD22 ASN A 37 -6.663 6.619 252.649 1.00 0.00 H +ATOM 533 N SER A 38 -8.815 3.971 248.071 1.00 0.00 N +ATOM 534 CA SER A 38 -7.915 3.567 246.949 1.00 0.00 C +ATOM 535 C SER A 38 -8.277 4.270 245.629 1.00 0.00 C +ATOM 536 O SER A 38 -7.703 3.960 244.605 1.00 0.00 O +ATOM 537 CB SER A 38 -8.023 2.056 246.750 1.00 0.00 C +ATOM 538 OG SER A 38 -9.325 1.736 246.281 1.00 0.00 O +ATOM 539 H SER A 38 -9.467 3.321 248.406 1.00 0.00 H +ATOM 540 HA SER A 38 -6.896 3.808 247.210 1.00 0.00 H +ATOM 541 HB2 SER A 38 -7.296 1.734 246.024 1.00 0.00 H +ATOM 542 HB3 SER A 38 -7.835 1.557 247.691 1.00 0.00 H +ATOM 543 HG SER A 38 -9.819 2.554 246.196 1.00 0.00 H +ATOM 544 N VAL A 39 -9.236 5.174 245.607 1.00 0.00 N +ATOM 545 CA VAL A 39 -9.599 5.838 244.300 1.00 0.00 C +ATOM 546 C VAL A 39 -9.789 7.363 244.450 1.00 0.00 C +ATOM 547 O VAL A 39 -9.981 8.047 243.465 1.00 0.00 O +ATOM 548 CB VAL A 39 -10.884 5.199 243.704 1.00 0.00 C +ATOM 549 CG1 VAL A 39 -10.542 3.847 243.053 1.00 0.00 C +ATOM 550 CG2 VAL A 39 -11.965 4.985 244.794 1.00 0.00 C +ATOM 551 H VAL A 39 -9.720 5.401 246.428 1.00 0.00 H +ATOM 552 HA VAL A 39 -8.791 5.691 243.598 1.00 0.00 H +ATOM 553 HB VAL A 39 -11.277 5.857 242.938 1.00 0.00 H +ATOM 554 HG11 VAL A 39 -11.378 3.520 242.450 1.00 0.00 H +ATOM 555 HG12 VAL A 39 -10.346 3.115 243.821 1.00 0.00 H +ATOM 556 HG13 VAL A 39 -9.670 3.950 242.423 1.00 0.00 H +ATOM 557 HG21 VAL A 39 -12.563 4.115 244.555 1.00 0.00 H +ATOM 558 HG22 VAL A 39 -12.607 5.852 244.840 1.00 0.00 H +ATOM 559 HG23 VAL A 39 -11.502 4.836 245.751 1.00 0.00 H +ATOM 560 N ILE A 40 -9.728 7.909 245.647 1.00 0.00 N +ATOM 561 CA ILE A 40 -9.909 9.406 245.809 1.00 0.00 C +ATOM 562 C ILE A 40 -8.609 10.077 246.304 1.00 0.00 C +ATOM 563 O ILE A 40 -7.974 9.632 247.239 1.00 0.00 O +ATOM 564 CB ILE A 40 -11.041 9.699 246.812 1.00 0.00 C +ATOM 565 CG1 ILE A 40 -12.346 9.074 246.290 1.00 0.00 C +ATOM 566 CG2 ILE A 40 -11.232 11.240 246.986 1.00 0.00 C +ATOM 567 CD1 ILE A 40 -13.405 9.107 247.399 1.00 0.00 C +ATOM 568 H ILE A 40 -9.573 7.338 246.432 1.00 0.00 H +ATOM 569 HA ILE A 40 -10.165 9.851 244.865 1.00 0.00 H +ATOM 570 HB ILE A 40 -10.794 9.255 247.764 1.00 0.00 H +ATOM 571 HG12 ILE A 40 -12.699 9.625 245.430 1.00 0.00 H +ATOM 572 HG13 ILE A 40 -12.162 8.050 246.005 1.00 0.00 H +ATOM 573 HG21 ILE A 40 -11.198 11.493 248.037 1.00 0.00 H +ATOM 574 HG22 ILE A 40 -12.186 11.544 246.584 1.00 0.00 H +ATOM 575 HG23 ILE A 40 -10.455 11.783 246.467 1.00 0.00 H +ATOM 576 HD11 ILE A 40 -14.363 8.817 246.991 1.00 0.00 H +ATOM 577 HD12 ILE A 40 -13.477 10.104 247.804 1.00 0.00 H +ATOM 578 HD13 ILE A 40 -13.123 8.426 248.186 1.00 0.00 H +ATOM 579 N GLU A 41 -8.237 11.176 245.667 1.00 0.00 N +ATOM 580 CA GLU A 41 -7.002 11.950 246.061 1.00 0.00 C +ATOM 581 C GLU A 41 -7.400 13.391 246.399 1.00 0.00 C +ATOM 582 O GLU A 41 -8.380 13.897 245.899 1.00 0.00 O +ATOM 583 CB GLU A 41 -6.013 11.988 244.885 1.00 0.00 C +ATOM 584 CG GLU A 41 -4.860 12.953 245.202 1.00 0.00 C +ATOM 585 CD GLU A 41 -3.822 12.889 244.083 1.00 0.03 C +ATOM 586 OE1 GLU A 41 -3.995 12.078 243.190 1.00 1.05 O +ATOM 587 OE2 GLU A 41 -2.871 13.651 244.138 1.00 1.06 O +ATOM 588 H GLU A 41 -8.790 11.497 244.924 1.00 0.00 H +ATOM 589 HA GLU A 41 -6.528 11.468 246.907 1.00 0.00 H +ATOM 590 HB2 GLU A 41 -5.613 11.002 244.715 1.00 0.00 H +ATOM 591 HB3 GLU A 41 -6.525 12.325 243.997 1.00 0.00 H +ATOM 592 HG2 GLU A 41 -5.241 13.962 245.271 1.00 0.02 H +ATOM 593 HG3 GLU A 41 -4.398 12.680 246.136 1.00 0.02 H +ATOM 594 N ASN A 42 -6.616 14.080 247.202 1.00 0.00 N +ATOM 595 CA ASN A 42 -6.902 15.510 247.533 1.00 0.00 C +ATOM 596 C ASN A 42 -5.955 16.370 246.689 1.00 0.00 C +ATOM 597 O ASN A 42 -4.752 16.278 246.827 1.00 0.00 O +ATOM 598 CB ASN A 42 -6.622 15.759 249.016 1.00 0.00 C +ATOM 599 CG ASN A 42 -6.970 17.208 249.358 1.00 0.14 C +ATOM 600 OD1 ASN A 42 -6.126 17.959 249.806 1.00 1.02 O +ATOM 601 ND2 ASN A 42 -8.184 17.639 249.151 1.00 0.85 N +ATOM 602 H ASN A 42 -5.810 13.668 247.554 1.00 0.00 H +ATOM 603 HA ASN A 42 -7.929 15.767 247.311 1.00 0.00 H +ATOM 604 HB2 ASN A 42 -7.224 15.091 249.614 1.00 0.10 H +ATOM 605 HB3 ASN A 42 -5.576 15.584 249.220 1.00 0.10 H +ATOM 606 HD21 ASN A 42 -8.861 17.036 248.781 1.00 1.58 H +ATOM 607 HD22 ASN A 42 -8.418 18.566 249.366 1.00 0.81 H +ATOM 608 N VAL A 43 -6.478 17.202 245.815 1.00 0.00 N +ATOM 609 CA VAL A 43 -5.587 18.061 244.959 1.00 0.00 C +ATOM 610 C VAL A 43 -5.727 19.533 245.352 1.00 0.00 C +ATOM 611 O VAL A 43 -6.616 20.237 244.919 1.00 0.00 O +ATOM 612 CB VAL A 43 -5.979 17.893 243.490 1.00 0.00 C +ATOM 613 CG1 VAL A 43 -5.156 18.851 242.627 1.00 0.00 C +ATOM 614 CG2 VAL A 43 -5.695 16.453 243.056 1.00 0.00 C +ATOM 615 H VAL A 43 -7.452 17.266 245.723 1.00 0.00 H +ATOM 616 HA VAL A 43 -4.552 17.764 245.077 1.00 0.00 H +ATOM 617 HB VAL A 43 -7.028 18.113 243.370 1.00 0.00 H +ATOM 618 HG11 VAL A 43 -4.119 18.808 242.926 1.00 0.00 H +ATOM 619 HG12 VAL A 43 -5.525 19.858 242.754 1.00 0.00 H +ATOM 620 HG13 VAL A 43 -5.242 18.565 241.589 1.00 0.00 H +ATOM 621 HG21 VAL A 43 -5.920 16.342 242.006 1.00 0.00 H +ATOM 622 HG22 VAL A 43 -6.310 15.776 243.631 1.00 0.00 H +ATOM 623 HG23 VAL A 43 -4.653 16.225 243.227 1.00 0.00 H +ATOM 624 N ASP A 44 -4.808 19.994 246.147 1.00 0.00 N +ATOM 625 CA ASP A 44 -4.788 21.420 246.573 1.00 0.00 C +ATOM 626 C ASP A 44 -6.160 21.890 247.069 1.00 0.00 C +ATOM 627 O ASP A 44 -6.553 23.010 246.811 1.00 0.00 O +ATOM 628 CB ASP A 44 -4.344 22.297 245.402 1.00 0.00 C +ATOM 629 CG ASP A 44 -2.901 21.957 245.030 1.00 0.01 C +ATOM 630 OD1 ASP A 44 -2.272 21.234 245.784 1.00 0.02 O +ATOM 631 OD2 ASP A 44 -2.449 22.425 243.997 1.00 0.02 O +ATOM 632 H ASP A 44 -4.095 19.396 246.450 1.00 0.00 H +ATOM 633 HA ASP A 44 -4.072 21.513 247.379 1.00 0.00 H +ATOM 634 HB2 ASP A 44 -4.988 22.117 244.553 1.00 0.01 H +ATOM 635 HB3 ASP A 44 -4.404 23.337 245.686 1.00 0.01 H +ATOM 636 N GLY A 45 -6.879 21.066 247.802 1.00 0.00 N +ATOM 637 CA GLY A 45 -8.213 21.506 248.346 1.00 0.00 C +ATOM 638 C GLY A 45 -9.394 20.711 247.769 1.00 0.00 C +ATOM 639 O GLY A 45 -10.479 20.790 248.309 1.00 0.00 O +ATOM 640 H GLY A 45 -6.520 20.179 248.007 1.00 0.00 H +ATOM 641 HA2 GLY A 45 -8.213 21.407 249.416 1.00 0.00 H +ATOM 642 HA3 GLY A 45 -8.382 22.544 248.085 1.00 0.00 H +ATOM 643 N SER A 46 -9.251 19.996 246.671 1.00 0.00 N +ATOM 644 CA SER A 46 -10.432 19.276 246.072 1.00 0.00 C +ATOM 645 C SER A 46 -10.198 17.768 245.964 1.00 0.00 C +ATOM 646 O SER A 46 -9.118 17.308 245.649 1.00 0.00 O +ATOM 647 CB SER A 46 -10.679 19.836 244.670 1.00 0.00 C +ATOM 648 OG SER A 46 -11.973 19.444 244.232 1.00 0.00 O +ATOM 649 H SER A 46 -8.383 19.971 246.217 1.00 0.00 H +ATOM 650 HA SER A 46 -11.315 19.456 246.669 1.00 0.00 H +ATOM 651 HB2 SER A 46 -10.624 20.911 244.696 1.00 0.00 H +ATOM 652 HB3 SER A 46 -9.927 19.455 243.990 1.00 0.00 H +ATOM 653 HG SER A 46 -11.971 19.436 243.271 1.00 0.00 H +ATOM 654 N LEU A 47 -11.235 17.000 246.179 1.00 0.00 N +ATOM 655 CA LEU A 47 -11.141 15.518 246.058 1.00 0.00 C +ATOM 656 C LEU A 47 -11.209 15.123 244.574 1.00 0.00 C +ATOM 657 O LEU A 47 -12.081 15.562 243.848 1.00 0.00 O +ATOM 658 CB LEU A 47 -12.312 14.871 246.806 1.00 0.00 C +ATOM 659 CG LEU A 47 -12.272 15.260 248.293 1.00 0.00 C +ATOM 660 CD1 LEU A 47 -13.457 14.603 249.033 1.00 0.00 C +ATOM 661 CD2 LEU A 47 -10.940 14.801 248.922 1.00 0.00 C +ATOM 662 H LEU A 47 -12.098 17.408 246.396 1.00 0.00 H +ATOM 663 HA LEU A 47 -10.214 15.154 246.458 1.00 0.00 H +ATOM 664 HB2 LEU A 47 -13.245 15.206 246.374 1.00 0.00 H +ATOM 665 HB3 LEU A 47 -12.246 13.802 246.720 1.00 0.00 H +ATOM 666 HG LEU A 47 -12.358 16.337 248.376 1.00 0.00 H +ATOM 667 HD11 LEU A 47 -13.720 15.203 249.892 1.00 0.00 H +ATOM 668 HD12 LEU A 47 -13.178 13.612 249.362 1.00 0.00 H +ATOM 669 HD13 LEU A 47 -14.310 14.533 248.372 1.00 0.00 H +ATOM 670 HD21 LEU A 47 -10.183 15.552 248.750 1.00 0.00 H +ATOM 671 HD22 LEU A 47 -10.626 13.867 248.475 1.00 0.00 H +ATOM 672 HD23 LEU A 47 -11.067 14.662 249.985 1.00 0.00 H +ATOM 673 N LYS A 48 -10.281 14.304 244.123 1.00 0.00 N +ATOM 674 CA LYS A 48 -10.260 13.870 242.680 1.00 0.00 C +ATOM 675 C LYS A 48 -10.253 12.344 242.587 1.00 0.00 C +ATOM 676 O LYS A 48 -9.937 11.663 243.533 1.00 0.00 O +ATOM 677 CB LYS A 48 -9.002 14.420 242.002 1.00 0.00 C +ATOM 678 CG LYS A 48 -9.072 15.970 241.921 1.00 0.00 C +ATOM 679 CD LYS A 48 -9.067 16.444 240.466 1.00 0.00 C +ATOM 680 CE LYS A 48 -8.953 17.968 240.431 1.00 0.00 C +ATOM 681 NZ LYS A 48 -9.314 18.464 239.074 1.00 0.00 N +ATOM 682 H LYS A 48 -9.586 13.986 244.738 1.00 0.00 H +ATOM 683 HA LYS A 48 -11.133 14.255 242.172 1.00 0.00 H +ATOM 684 HB2 LYS A 48 -8.134 14.123 242.579 1.00 0.00 H +ATOM 685 HB3 LYS A 48 -8.924 14.000 241.007 1.00 0.00 H +ATOM 686 HG2 LYS A 48 -9.973 16.327 242.396 1.00 0.00 H +ATOM 687 HG3 LYS A 48 -8.221 16.392 242.427 1.00 0.00 H +ATOM 688 HD2 LYS A 48 -8.226 16.008 239.948 1.00 0.00 H +ATOM 689 HD3 LYS A 48 -9.984 16.143 239.985 1.00 0.00 H +ATOM 690 HE2 LYS A 48 -9.626 18.399 241.160 1.00 0.00 H +ATOM 691 HE3 LYS A 48 -7.939 18.258 240.663 1.00 0.00 H +ATOM 692 HZ1 LYS A 48 -10.348 18.468 238.973 1.00 0.00 H +ATOM 693 HZ2 LYS A 48 -8.900 17.839 238.352 1.00 0.00 H +ATOM 694 HZ3 LYS A 48 -8.949 19.429 238.952 1.00 0.00 H +ATOM 695 N TRP A 49 -10.602 11.806 241.447 1.00 0.00 N +ATOM 696 CA TRP A 49 -10.636 10.314 241.288 1.00 0.00 C +ATOM 697 C TRP A 49 -9.217 9.736 241.134 1.00 0.00 C +ATOM 698 O TRP A 49 -8.776 9.460 240.037 1.00 0.00 O +ATOM 699 CB TRP A 49 -11.454 9.958 240.033 1.00 0.00 C +ATOM 700 CG TRP A 49 -12.910 10.100 240.328 1.00 0.00 C +ATOM 701 CD1 TRP A 49 -13.728 11.049 239.813 1.00 0.00 C +ATOM 702 CD2 TRP A 49 -13.728 9.287 241.213 1.00 0.00 C +ATOM 703 NE1 TRP A 49 -15.001 10.869 240.327 1.00 0.00 N +ATOM 704 CE2 TRP A 49 -15.053 9.795 241.193 1.00 0.00 C +ATOM 705 CE3 TRP A 49 -13.450 8.163 242.028 1.00 0.00 C +ATOM 706 CZ2 TRP A 49 -16.070 9.206 241.951 1.00 0.00 C +ATOM 707 CZ3 TRP A 49 -14.474 7.572 242.797 1.00 0.00 C +ATOM 708 CH2 TRP A 49 -15.782 8.092 242.755 1.00 0.00 C +ATOM 709 H TRP A 49 -10.850 12.387 240.695 1.00 0.00 H +ATOM 710 HA TRP A 49 -11.112 9.878 242.160 1.00 0.00 H +ATOM 711 HB2 TRP A 49 -11.186 10.624 239.226 1.00 0.00 H +ATOM 712 HB3 TRP A 49 -11.246 8.938 239.739 1.00 0.00 H +ATOM 713 HD1 TRP A 49 -13.435 11.820 239.119 1.00 0.00 H +ATOM 714 HE1 TRP A 49 -15.782 11.418 240.112 1.00 0.00 H +ATOM 715 HE3 TRP A 49 -12.450 7.759 242.064 1.00 0.00 H +ATOM 716 HZ2 TRP A 49 -17.069 9.588 241.901 1.00 0.00 H +ATOM 717 HZ3 TRP A 49 -14.256 6.713 243.415 1.00 0.00 H +ATOM 718 HH2 TRP A 49 -16.560 7.642 243.349 1.00 0.00 H +ATOM 719 N GLN A 50 -8.501 9.548 242.215 1.00 0.00 N +ATOM 720 CA GLN A 50 -7.117 8.982 242.112 1.00 0.00 C +ATOM 721 C GLN A 50 -6.665 8.539 243.525 1.00 0.00 C +ATOM 722 O GLN A 50 -6.936 9.220 244.485 1.00 0.00 O +ATOM 723 CB GLN A 50 -6.181 10.080 241.574 1.00 0.00 C +ATOM 724 CG GLN A 50 -4.875 9.475 241.052 1.00 0.00 C +ATOM 725 CD GLN A 50 -4.038 10.565 240.378 1.00 0.00 C +ATOM 726 OE1 GLN A 50 -3.374 10.313 239.393 1.00 0.00 O +ATOM 727 NE2 GLN A 50 -4.037 11.772 240.872 1.00 0.00 N +ATOM 728 H GLN A 50 -8.854 9.793 243.095 1.00 0.00 H +ATOM 729 HA GLN A 50 -7.125 8.143 241.437 1.00 0.00 H +ATOM 730 HB2 GLN A 50 -6.673 10.600 240.768 1.00 0.00 H +ATOM 731 HB3 GLN A 50 -5.956 10.777 242.364 1.00 0.00 H +ATOM 732 HG2 GLN A 50 -4.317 9.057 241.876 1.00 0.00 H +ATOM 733 HG3 GLN A 50 -5.098 8.704 240.330 1.00 0.00 H +ATOM 734 HE21 GLN A 50 -4.570 11.975 241.669 1.00 0.00 H +ATOM 735 HE22 GLN A 50 -3.501 12.474 240.448 1.00 0.00 H +ATOM 736 N PRO A 51 -5.997 7.406 243.678 1.00 0.00 N +ATOM 737 CA PRO A 51 -5.541 6.938 245.034 1.00 0.00 C +ATOM 738 C PRO A 51 -4.505 7.880 245.678 1.00 0.00 C +ATOM 739 O PRO A 51 -3.659 8.437 245.006 1.00 0.00 O +ATOM 740 CB PRO A 51 -4.909 5.555 244.764 1.00 0.00 C +ATOM 741 CG PRO A 51 -4.591 5.539 243.301 1.00 0.00 C +ATOM 742 CD PRO A 51 -5.621 6.442 242.622 1.00 0.00 C +ATOM 743 HA PRO A 51 -6.391 6.824 245.689 1.00 0.00 H +ATOM 744 HB2 PRO A 51 -4.006 5.422 245.349 1.00 0.00 H +ATOM 745 HB3 PRO A 51 -5.609 4.771 244.996 1.00 0.00 H +ATOM 746 HG2 PRO A 51 -3.591 5.924 243.135 1.00 0.00 H +ATOM 747 HG3 PRO A 51 -4.670 4.536 242.907 1.00 0.00 H +ATOM 748 HD2 PRO A 51 -5.177 6.938 241.775 1.00 0.00 H +ATOM 749 HD3 PRO A 51 -6.487 5.869 242.315 1.00 0.00 H +ATOM 750 N SER A 52 -4.559 8.038 246.984 1.00 0.00 N +ATOM 751 CA SER A 52 -3.571 8.916 247.697 1.00 0.00 C +ATOM 752 C SER A 52 -3.953 9.026 249.181 1.00 0.00 C +ATOM 753 O SER A 52 -3.438 9.861 249.896 1.00 0.00 O +ATOM 754 CB SER A 52 -3.554 10.298 247.058 1.00 0.00 C +ATOM 755 OG SER A 52 -3.235 11.271 248.044 1.00 0.67 O +ATOM 756 H SER A 52 -5.244 7.563 247.499 1.00 0.00 H +ATOM 757 HA SER A 52 -2.590 8.468 247.621 1.00 0.00 H +ATOM 758 HB2 SER A 52 -2.811 10.327 246.278 1.00 0.50 H +ATOM 759 HB3 SER A 52 -4.523 10.499 246.635 1.00 0.51 H +ATOM 760 HG SER A 52 -2.279 11.337 248.098 1.00 1.04 H +ATOM 761 N ASN A 53 -4.852 8.204 249.646 1.00 0.00 N +ATOM 762 CA ASN A 53 -5.255 8.281 251.080 1.00 0.00 C +ATOM 763 C ASN A 53 -5.796 9.681 251.384 1.00 0.00 C +ATOM 764 O ASN A 53 -5.269 10.400 252.207 1.00 0.00 O +ATOM 765 CB ASN A 53 -4.047 7.997 251.978 1.00 0.00 C +ATOM 766 CG ASN A 53 -3.374 6.696 251.541 1.00 0.06 C +ATOM 767 OD1 ASN A 53 -4.034 5.703 251.309 1.00 0.09 O +ATOM 768 ND2 ASN A 53 -2.074 6.661 251.415 1.00 0.15 N +ATOM 769 H ASN A 53 -5.265 7.541 249.055 1.00 0.00 H +ATOM 770 HA ASN A 53 -6.022 7.556 251.266 1.00 0.00 H +ATOM 771 HB2 ASN A 53 -3.341 8.811 251.905 1.00 0.04 H +ATOM 772 HB3 ASN A 53 -4.377 7.901 253.002 1.00 0.04 H +ATOM 773 HD21 ASN A 53 -1.542 7.464 251.600 1.00 0.21 H +ATOM 774 HD22 ASN A 53 -1.631 5.833 251.136 1.00 0.18 H +ATOM 775 N PHE A 54 -6.836 10.076 250.702 1.00 0.00 N +ATOM 776 CA PHE A 54 -7.412 11.439 250.918 1.00 0.00 C +ATOM 777 C PHE A 54 -7.878 11.624 252.371 1.00 0.00 C +ATOM 778 O PHE A 54 -7.723 12.680 252.954 1.00 0.00 O +ATOM 779 CB PHE A 54 -8.603 11.643 249.965 1.00 0.00 C +ATOM 780 CG PHE A 54 -9.851 10.971 250.508 1.00 0.00 C +ATOM 781 CD1 PHE A 54 -10.109 9.612 250.235 1.00 0.00 C +ATOM 782 CD2 PHE A 54 -10.759 11.715 251.287 1.00 0.00 C +ATOM 783 CE1 PHE A 54 -11.278 9.001 250.739 1.00 0.00 C +ATOM 784 CE2 PHE A 54 -11.924 11.104 251.790 1.00 0.00 C +ATOM 785 CZ PHE A 54 -12.184 9.748 251.516 1.00 0.00 C +ATOM 786 H PHE A 54 -7.233 9.476 250.037 1.00 0.00 H +ATOM 787 HA PHE A 54 -6.656 12.178 250.694 1.00 0.00 H +ATOM 788 HB2 PHE A 54 -8.791 12.701 249.853 1.00 0.00 H +ATOM 789 HB3 PHE A 54 -8.363 11.221 249.000 1.00 0.00 H +ATOM 790 HD1 PHE A 54 -9.413 9.040 249.640 1.00 0.00 H +ATOM 791 HD2 PHE A 54 -10.563 12.755 251.498 1.00 0.00 H +ATOM 792 HE1 PHE A 54 -11.481 7.960 250.527 1.00 0.00 H +ATOM 793 HE2 PHE A 54 -12.618 11.676 252.387 1.00 0.00 H +ATOM 794 HZ PHE A 54 -13.078 9.280 251.902 1.00 0.00 H +ATOM 795 N ILE A 55 -8.470 10.618 252.948 1.00 0.00 N +ATOM 796 CA ILE A 55 -8.972 10.759 254.343 1.00 0.00 C +ATOM 797 C ILE A 55 -7.824 11.145 255.282 1.00 0.00 C +ATOM 798 O ILE A 55 -8.038 11.693 256.344 1.00 0.00 O +ATOM 799 CB ILE A 55 -9.657 9.450 254.774 1.00 0.00 C +ATOM 800 CG1 ILE A 55 -10.011 9.481 256.269 1.00 0.00 C +ATOM 801 CG2 ILE A 55 -8.780 8.235 254.475 1.00 0.00 C +ATOM 802 CD1 ILE A 55 -10.943 10.659 256.555 1.00 0.00 C +ATOM 803 H ILE A 55 -8.608 9.781 252.458 1.00 0.00 H +ATOM 804 HA ILE A 55 -9.711 11.545 254.355 1.00 0.00 H +ATOM 805 HB ILE A 55 -10.573 9.351 254.206 1.00 0.00 H +ATOM 806 HG12 ILE A 55 -10.509 8.559 256.535 1.00 0.00 H +ATOM 807 HG13 ILE A 55 -9.112 9.581 256.858 1.00 0.00 H +ATOM 808 HG21 ILE A 55 -7.769 8.432 254.801 1.00 0.00 H +ATOM 809 HG22 ILE A 55 -8.783 8.043 253.412 1.00 0.00 H +ATOM 810 HG23 ILE A 55 -9.165 7.371 254.998 1.00 0.00 H +ATOM 811 HD11 ILE A 55 -11.697 10.719 255.784 1.00 0.00 H +ATOM 812 HD12 ILE A 55 -10.373 11.570 256.573 1.00 0.00 H +ATOM 813 HD13 ILE A 55 -11.419 10.515 257.513 1.00 0.00 H +ATOM 814 N GLU A 56 -6.609 10.883 254.896 1.00 0.00 N +ATOM 815 CA GLU A 56 -5.461 11.264 255.771 1.00 0.00 C +ATOM 816 C GLU A 56 -5.427 12.791 255.916 1.00 0.00 C +ATOM 817 O GLU A 56 -5.004 13.303 256.934 1.00 0.00 O +ATOM 818 CB GLU A 56 -4.150 10.775 255.149 1.00 0.00 C +ATOM 819 CG GLU A 56 -2.995 11.044 256.116 1.00 0.00 C +ATOM 820 CD GLU A 56 -1.673 10.649 255.455 1.00 0.00 C +ATOM 821 OE1 GLU A 56 -1.708 10.226 254.312 1.00 0.02 O +ATOM 822 OE2 GLU A 56 -0.648 10.777 256.104 1.00 0.02 O +ATOM 823 H GLU A 56 -6.450 10.450 254.029 1.00 0.00 H +ATOM 824 HA GLU A 56 -5.592 10.818 256.747 1.00 0.00 H +ATOM 825 HB2 GLU A 56 -4.218 9.715 254.954 1.00 0.00 H +ATOM 826 HB3 GLU A 56 -3.972 11.302 254.224 1.00 0.00 H +ATOM 827 HG2 GLU A 56 -2.974 12.094 256.368 1.00 0.01 H +ATOM 828 HG3 GLU A 56 -3.134 10.461 257.014 1.00 0.01 H +ATOM 829 N THR A 57 -5.853 13.516 254.908 1.00 0.00 N +ATOM 830 CA THR A 57 -5.822 15.026 255.002 1.00 0.00 C +ATOM 831 C THR A 57 -7.238 15.597 254.915 1.00 0.00 C +ATOM 832 O THR A 57 -7.419 16.767 254.647 1.00 0.00 O +ATOM 833 CB THR A 57 -4.962 15.598 253.873 1.00 0.00 C +ATOM 834 OG1 THR A 57 -5.570 15.307 252.622 1.00 0.08 O +ATOM 835 CG2 THR A 57 -3.568 14.970 253.924 1.00 0.08 C +ATOM 836 H THR A 57 -6.185 13.070 254.089 1.00 0.00 H +ATOM 837 HA THR A 57 -5.401 15.307 255.956 1.00 0.00 H +ATOM 838 HB THR A 57 -4.875 16.667 253.992 1.00 0.06 H +ATOM 839 HG1 THR A 57 -5.627 16.125 252.123 1.00 0.90 H +ATOM 840 HG21 THR A 57 -3.658 13.894 253.949 1.00 0.99 H +ATOM 841 HG22 THR A 57 -3.052 15.309 254.811 1.00 1.00 H +ATOM 842 HG23 THR A 57 -3.008 15.265 253.048 1.00 0.98 H +ATOM 843 N CYS A 58 -8.245 14.794 255.145 1.00 0.00 N +ATOM 844 CA CYS A 58 -9.651 15.304 255.084 1.00 0.00 C +ATOM 845 C CYS A 58 -10.431 14.801 256.298 1.00 0.00 C +ATOM 846 O CYS A 58 -10.069 13.823 256.917 1.00 0.00 O +ATOM 847 CB CYS A 58 -10.312 14.810 253.797 1.00 0.00 C +ATOM 848 SG CYS A 58 -9.415 15.487 252.377 1.00 0.00 S +ATOM 849 H CYS A 58 -8.086 13.850 255.355 1.00 0.00 H +ATOM 850 HA CYS A 58 -9.662 16.384 255.093 1.00 0.00 H +ATOM 851 HB2 CYS A 58 -10.280 13.732 253.765 1.00 0.00 H +ATOM 852 HB3 CYS A 58 -11.338 15.143 253.767 1.00 0.00 H +ATOM 853 N ARG A 59 -11.467 15.501 256.674 1.00 0.00 N +ATOM 854 CA ARG A 59 -12.253 15.098 257.882 1.00 0.00 C +ATOM 855 C ARG A 59 -13.747 15.319 257.637 1.00 0.00 C +ATOM 856 O ARG A 59 -14.157 15.816 256.606 1.00 0.00 O +ATOM 857 CB ARG A 59 -11.811 15.949 259.071 1.00 0.00 C +ATOM 858 CG ARG A 59 -12.075 17.426 258.768 1.00 0.00 C +ATOM 859 CD ARG A 59 -11.417 18.292 259.844 1.00 0.00 C +ATOM 860 NE ARG A 59 -11.711 19.728 259.575 1.00 0.00 N +ATOM 861 CZ ARG A 59 -11.512 20.619 260.507 1.00 0.00 C +ATOM 862 NH1 ARG A 59 -11.047 20.254 261.670 1.00 0.00 N +ATOM 863 NH2 ARG A 59 -11.777 21.876 260.276 1.00 0.00 N +ATOM 864 H ARG A 59 -11.700 16.323 256.189 1.00 0.00 H +ATOM 865 HA ARG A 59 -12.077 14.057 258.109 1.00 0.00 H +ATOM 866 HB2 ARG A 59 -12.368 15.658 259.951 1.00 0.00 H +ATOM 867 HB3 ARG A 59 -10.755 15.801 259.249 1.00 0.00 H +ATOM 868 HG2 ARG A 59 -11.664 17.675 257.799 1.00 0.00 H +ATOM 869 HG3 ARG A 59 -13.139 17.604 258.766 1.00 0.00 H +ATOM 870 HD2 ARG A 59 -11.805 18.021 260.814 1.00 0.00 H +ATOM 871 HD3 ARG A 59 -10.350 18.133 259.827 1.00 0.00 H +ATOM 872 HE ARG A 59 -12.056 20.002 258.700 1.00 0.00 H +ATOM 873 HH11 ARG A 59 -10.844 19.291 261.848 1.00 0.00 H +ATOM 874 HH12 ARG A 59 -10.894 20.937 262.385 1.00 0.00 H +ATOM 875 HH21 ARG A 59 -12.132 22.156 259.384 1.00 0.00 H +ATOM 876 HH22 ARG A 59 -11.624 22.558 260.991 1.00 0.00 H +ATOM 877 N ASN A 60 -14.555 14.979 258.602 1.00 0.00 N +ATOM 878 CA ASN A 60 -16.026 15.189 258.475 1.00 0.00 C +ATOM 879 C ASN A 60 -16.546 14.672 257.128 1.00 0.00 C +ATOM 880 O ASN A 60 -17.284 15.355 256.445 1.00 0.00 O +ATOM 881 CB ASN A 60 -16.336 16.681 258.615 1.00 0.00 C +ATOM 882 CG ASN A 60 -17.845 16.892 258.736 1.00 0.00 C +ATOM 883 OD1 ASN A 60 -18.598 15.945 258.843 1.00 0.00 O +ATOM 884 ND2 ASN A 60 -18.322 18.108 258.717 1.00 0.00 N +ATOM 885 H ASN A 60 -14.185 14.620 259.434 1.00 0.00 H +ATOM 886 HA ASN A 60 -16.530 14.638 259.257 1.00 0.00 H +ATOM 887 HB2 ASN A 60 -15.847 17.068 259.498 1.00 0.00 H +ATOM 888 HB3 ASN A 60 -15.971 17.204 257.745 1.00 0.00 H +ATOM 889 HD21 ASN A 60 -17.715 18.872 258.624 1.00 0.00 H +ATOM 890 HD22 ASN A 60 -19.288 18.257 258.794 1.00 0.00 H +ATOM 891 N THR A 61 -16.216 13.462 256.754 1.00 0.00 N +ATOM 892 CA THR A 61 -16.761 12.921 255.474 1.00 0.00 C +ATOM 893 C THR A 61 -18.224 12.552 255.712 1.00 0.00 C +ATOM 894 O THR A 61 -18.551 11.927 256.703 1.00 0.00 O +ATOM 895 CB THR A 61 -15.999 11.659 255.055 1.00 0.00 C +ATOM 896 OG1 THR A 61 -16.021 10.720 256.119 1.00 0.00 O +ATOM 897 CG2 THR A 61 -14.546 11.985 254.689 1.00 0.00 C +ATOM 898 H THR A 61 -15.655 12.901 257.327 1.00 0.00 H +ATOM 899 HA THR A 61 -16.696 13.670 254.701 1.00 0.00 H +ATOM 900 HB THR A 61 -16.487 11.232 254.190 1.00 0.00 H +ATOM 901 HG1 THR A 61 -15.277 10.909 256.696 1.00 0.00 H +ATOM 902 HG21 THR A 61 -13.932 11.112 254.848 1.00 0.00 H +ATOM 903 HG22 THR A 61 -14.185 12.794 255.311 1.00 0.00 H +ATOM 904 HG23 THR A 61 -14.491 12.280 253.651 1.00 0.00 H +ATOM 905 N GLN A 62 -19.121 12.951 254.845 1.00 0.00 N +ATOM 906 CA GLN A 62 -20.567 12.625 255.081 1.00 0.00 C +ATOM 907 C GLN A 62 -21.305 12.462 253.746 1.00 0.00 C +ATOM 908 O GLN A 62 -20.833 12.882 252.707 1.00 0.00 O +ATOM 909 CB GLN A 62 -21.181 13.780 255.900 1.00 0.00 C +ATOM 910 CG GLN A 62 -22.345 13.299 256.785 1.00 0.00 C +ATOM 911 CD GLN A 62 -22.508 14.243 257.983 1.00 0.00 C +ATOM 912 OE1 GLN A 62 -21.871 14.061 259.003 1.00 0.00 O +ATOM 913 NE2 GLN A 62 -23.338 15.246 257.908 1.00 0.00 N +ATOM 914 H GLN A 62 -18.851 13.485 254.069 1.00 0.00 H +ATOM 915 HA GLN A 62 -20.628 11.702 255.647 1.00 0.00 H +ATOM 916 HB2 GLN A 62 -20.416 14.204 256.527 1.00 0.00 H +ATOM 917 HB3 GLN A 62 -21.543 14.543 255.226 1.00 0.00 H +ATOM 918 HG2 GLN A 62 -23.256 13.298 256.207 1.00 0.00 H +ATOM 919 HG3 GLN A 62 -22.149 12.304 257.148 1.00 0.00 H +ATOM 920 HE21 GLN A 62 -23.856 15.395 257.090 1.00 0.00 H +ATOM 921 HE22 GLN A 62 -23.441 15.850 258.672 1.00 0.00 H +ATOM 922 N LEU A 63 -22.459 11.844 253.768 1.00 0.00 N +ATOM 923 CA LEU A 63 -23.232 11.643 252.509 1.00 0.00 C +ATOM 924 C LEU A 63 -24.082 12.888 252.246 1.00 0.00 C +ATOM 925 O LEU A 63 -24.823 13.339 253.095 1.00 0.00 O +ATOM 926 CB LEU A 63 -24.125 10.388 252.660 1.00 0.00 C +ATOM 927 CG LEU A 63 -25.018 10.156 251.416 1.00 0.00 C +ATOM 928 CD1 LEU A 63 -24.203 9.538 250.259 1.00 0.00 C +ATOM 929 CD2 LEU A 63 -26.164 9.203 251.794 1.00 0.00 C +ATOM 930 H LEU A 63 -22.817 11.510 254.618 1.00 0.00 H +ATOM 931 HA LEU A 63 -22.544 11.510 251.693 1.00 0.00 H +ATOM 932 HB2 LEU A 63 -23.493 9.523 252.802 1.00 0.00 H +ATOM 933 HB3 LEU A 63 -24.753 10.511 253.530 1.00 0.00 H +ATOM 934 HG LEU A 63 -25.440 11.095 251.091 1.00 0.00 H +ATOM 935 HD11 LEU A 63 -24.655 9.812 249.316 1.00 0.00 H +ATOM 936 HD12 LEU A 63 -24.192 8.461 250.348 1.00 0.00 H +ATOM 937 HD13 LEU A 63 -23.191 9.901 250.284 1.00 0.00 H +ATOM 938 HD21 LEU A 63 -25.758 8.237 252.063 1.00 0.00 H +ATOM 939 HD22 LEU A 63 -26.830 9.090 250.952 1.00 0.00 H +ATOM 940 HD23 LEU A 63 -26.710 9.608 252.632 1.00 0.00 H +ATOM 941 N ALA A 64 -23.969 13.441 251.064 1.00 0.00 N +ATOM 942 CA ALA A 64 -24.752 14.665 250.703 1.00 0.00 C +ATOM 943 C ALA A 64 -25.649 14.355 249.501 1.00 0.00 C +ATOM 944 O ALA A 64 -25.199 13.845 248.495 1.00 0.00 O +ATOM 945 CB ALA A 64 -23.778 15.783 250.315 1.00 0.00 C +ATOM 946 H ALA A 64 -23.360 13.047 250.406 1.00 0.00 H +ATOM 947 HA ALA A 64 -25.367 14.983 251.532 1.00 0.00 H +ATOM 948 HB1 ALA A 64 -22.946 15.785 251.002 1.00 0.00 H +ATOM 949 HB2 ALA A 64 -24.286 16.734 250.365 1.00 0.00 H +ATOM 950 HB3 ALA A 64 -23.413 15.621 249.310 1.00 0.00 H +ATOM 951 N GLY A 65 -26.908 14.675 249.590 1.00 0.00 N +ATOM 952 CA GLY A 65 -27.824 14.424 248.441 1.00 0.00 C +ATOM 953 C GLY A 65 -27.988 12.922 248.197 1.00 0.00 C +ATOM 954 O GLY A 65 -27.918 12.118 249.105 1.00 0.00 O +ATOM 955 H GLY A 65 -27.254 15.093 250.406 1.00 0.00 H +ATOM 956 HA2 GLY A 65 -28.793 14.857 248.657 1.00 0.00 H +ATOM 957 HA3 GLY A 65 -27.417 14.888 247.552 1.00 0.00 H +ATOM 958 N SER A 66 -28.227 12.550 246.970 1.00 0.00 N +ATOM 959 CA SER A 66 -28.426 11.112 246.631 1.00 0.00 C +ATOM 960 C SER A 66 -27.090 10.442 246.277 1.00 0.00 C +ATOM 961 O SER A 66 -26.867 9.294 246.605 1.00 0.00 O +ATOM 962 CB SER A 66 -29.379 11.024 245.422 1.00 0.00 C +ATOM 963 OG SER A 66 -30.209 12.177 245.397 1.00 0.00 O +ATOM 964 H SER A 66 -28.290 13.227 246.265 1.00 0.00 H +ATOM 965 HA SER A 66 -28.871 10.587 247.466 1.00 0.00 H +ATOM 966 HB2 SER A 66 -28.815 10.982 244.503 1.00 0.00 H +ATOM 967 HB3 SER A 66 -29.991 10.133 245.504 1.00 0.00 H +ATOM 968 HG SER A 66 -30.853 12.093 246.101 1.00 0.00 H +ATOM 969 N SER A 67 -26.222 11.130 245.569 1.00 0.00 N +ATOM 970 CA SER A 67 -24.926 10.496 245.149 1.00 0.00 C +ATOM 971 C SER A 67 -23.720 11.405 245.398 1.00 0.00 C +ATOM 972 O SER A 67 -22.635 11.114 244.934 1.00 0.00 O +ATOM 973 CB SER A 67 -25.001 10.224 243.649 1.00 0.00 C +ATOM 974 OG SER A 67 -25.117 11.458 242.952 1.00 0.00 O +ATOM 975 H SER A 67 -26.442 12.038 245.276 1.00 0.00 H +ATOM 976 HA SER A 67 -24.794 9.548 245.650 1.00 0.00 H +ATOM 977 HB2 SER A 67 -24.104 9.721 243.331 1.00 0.00 H +ATOM 978 HB3 SER A 67 -25.858 9.597 243.440 1.00 0.00 H +ATOM 979 HG SER A 67 -24.244 11.854 242.903 1.00 0.00 H +ATOM 980 N GLU A 68 -23.872 12.513 246.086 1.00 0.00 N +ATOM 981 CA GLU A 68 -22.697 13.421 246.295 1.00 0.00 C +ATOM 982 C GLU A 68 -22.070 13.210 247.675 1.00 0.00 C +ATOM 983 O GLU A 68 -22.747 13.050 248.671 1.00 0.00 O +ATOM 984 CB GLU A 68 -23.156 14.874 246.162 1.00 0.00 C +ATOM 985 CG GLU A 68 -23.556 15.141 244.709 1.00 0.00 C +ATOM 986 CD GLU A 68 -23.996 16.598 244.556 1.00 0.00 C +ATOM 987 OE1 GLU A 68 -24.018 17.299 245.555 1.00 0.00 O +ATOM 988 OE2 GLU A 68 -24.302 16.989 243.442 1.00 0.00 O +ATOM 989 H GLU A 68 -24.745 12.768 246.445 1.00 0.00 H +ATOM 990 HA GLU A 68 -21.947 13.230 245.540 1.00 0.00 H +ATOM 991 HB2 GLU A 68 -24.004 15.045 246.809 1.00 0.00 H +ATOM 992 HB3 GLU A 68 -22.350 15.535 246.439 1.00 0.00 H +ATOM 993 HG2 GLU A 68 -22.713 14.947 244.061 1.00 0.00 H +ATOM 994 HG3 GLU A 68 -24.376 14.490 244.437 1.00 0.00 H +ATOM 995 N LEU A 69 -20.761 13.239 247.724 1.00 0.00 N +ATOM 996 CA LEU A 69 -20.018 13.073 249.012 1.00 0.00 C +ATOM 997 C LEU A 69 -19.400 14.426 249.381 1.00 0.00 C +ATOM 998 O LEU A 69 -18.619 14.987 248.637 1.00 0.00 O +ATOM 999 CB LEU A 69 -18.934 11.991 248.817 1.00 0.00 C +ATOM 1000 CG LEU A 69 -17.806 12.118 249.857 1.00 0.00 C +ATOM 1001 CD1 LEU A 69 -18.376 12.218 251.288 1.00 0.00 C +ATOM 1002 CD2 LEU A 69 -16.903 10.882 249.744 1.00 0.00 C +ATOM 1003 H LEU A 69 -20.256 13.388 246.899 1.00 0.00 H +ATOM 1004 HA LEU A 69 -20.697 12.769 249.798 1.00 0.00 H +ATOM 1005 HB2 LEU A 69 -19.389 11.015 248.910 1.00 0.00 H +ATOM 1006 HB3 LEU A 69 -18.512 12.087 247.828 1.00 0.00 H +ATOM 1007 HG LEU A 69 -17.226 12.996 249.614 1.00 0.00 H +ATOM 1008 HD11 LEU A 69 -18.532 13.251 251.544 1.00 0.00 H +ATOM 1009 HD12 LEU A 69 -17.681 11.785 251.994 1.00 0.00 H +ATOM 1010 HD13 LEU A 69 -19.317 11.690 251.345 1.00 0.00 H +ATOM 1011 HD21 LEU A 69 -16.475 10.841 248.753 1.00 0.00 H +ATOM 1012 HD22 LEU A 69 -17.487 9.992 249.921 1.00 0.00 H +ATOM 1013 HD23 LEU A 69 -16.111 10.947 250.474 1.00 0.00 H +ATOM 1014 N ALA A 70 -19.768 14.957 250.523 1.00 0.00 N +ATOM 1015 CA ALA A 70 -19.232 16.285 250.957 1.00 0.00 C +ATOM 1016 C ALA A 70 -18.205 16.066 252.066 1.00 0.00 C +ATOM 1017 O ALA A 70 -18.371 15.232 252.933 1.00 0.00 O +ATOM 1018 CB ALA A 70 -20.399 17.124 251.483 1.00 0.00 C +ATOM 1019 H ALA A 70 -20.413 14.487 251.091 1.00 0.00 H +ATOM 1020 HA ALA A 70 -18.769 16.779 250.115 1.00 0.00 H +ATOM 1021 HB1 ALA A 70 -21.026 16.512 252.113 1.00 0.00 H +ATOM 1022 HB2 ALA A 70 -20.978 17.498 250.651 1.00 0.00 H +ATOM 1023 HB3 ALA A 70 -20.015 17.955 252.057 1.00 0.00 H +ATOM 1024 N ALA A 71 -17.143 16.814 252.040 1.00 0.00 N +ATOM 1025 CA ALA A 71 -16.088 16.670 253.079 1.00 0.00 C +ATOM 1026 C ALA A 71 -15.312 17.983 253.181 1.00 0.00 C +ATOM 1027 O ALA A 71 -15.497 18.887 252.388 1.00 0.00 O +ATOM 1028 CB ALA A 71 -15.083 15.572 252.678 1.00 0.00 C +ATOM 1029 H ALA A 71 -17.035 17.478 251.326 1.00 0.00 H +ATOM 1030 HA ALA A 71 -16.534 16.421 254.031 1.00 0.00 H +ATOM 1031 HB1 ALA A 71 -14.633 15.153 253.567 1.00 0.00 H +ATOM 1032 HB2 ALA A 71 -14.309 15.982 252.041 1.00 0.00 H +ATOM 1033 HB3 ALA A 71 -15.604 14.792 252.143 1.00 0.00 H +ATOM 1034 N GLU A 72 -14.406 18.067 254.125 1.00 0.00 N +ATOM 1035 CA GLU A 72 -13.547 19.280 254.271 1.00 0.00 C +ATOM 1036 C GLU A 72 -12.111 18.802 254.057 1.00 0.00 C +ATOM 1037 O GLU A 72 -11.719 17.793 254.608 1.00 0.00 O +ATOM 1038 CB GLU A 72 -13.707 19.858 255.683 1.00 0.00 C +ATOM 1039 CG GLU A 72 -15.156 20.303 255.896 1.00 0.00 C +ATOM 1040 CD GLU A 72 -15.344 20.757 257.345 1.00 0.00 C +ATOM 1041 OE1 GLU A 72 -14.362 20.784 258.069 1.00 0.00 O +ATOM 1042 OE2 GLU A 72 -16.469 21.057 257.710 1.00 0.00 O +ATOM 1043 H GLU A 72 -14.261 17.310 254.719 1.00 0.00 H +ATOM 1044 HA GLU A 72 -13.808 20.016 253.523 1.00 0.00 H +ATOM 1045 HB2 GLU A 72 -13.451 19.103 256.414 1.00 0.00 H +ATOM 1046 HB3 GLU A 72 -13.052 20.707 255.800 1.00 0.00 H +ATOM 1047 HG2 GLU A 72 -15.382 21.122 255.230 1.00 0.00 H +ATOM 1048 HG3 GLU A 72 -15.820 19.479 255.691 1.00 0.00 H +ATOM 1049 N CYS A 73 -11.324 19.477 253.248 1.00 0.00 N +ATOM 1050 CA CYS A 73 -9.921 18.993 252.995 1.00 0.00 C +ATOM 1051 C CYS A 73 -8.903 20.123 253.118 1.00 0.00 C +ATOM 1052 O CYS A 73 -9.180 21.276 252.848 1.00 0.00 O +ATOM 1053 CB CYS A 73 -9.843 18.394 251.589 1.00 0.00 C +ATOM 1054 SG CYS A 73 -10.712 16.804 251.565 1.00 0.00 S +ATOM 1055 H CYS A 73 -11.656 20.279 252.793 1.00 0.00 H +ATOM 1056 HA CYS A 73 -9.667 18.221 253.703 1.00 0.00 H +ATOM 1057 HB2 CYS A 73 -10.305 19.069 250.884 1.00 0.00 H +ATOM 1058 HB3 CYS A 73 -8.808 18.242 251.318 1.00 0.00 H +ATOM 1059 N LYS A 74 -7.725 19.780 253.552 1.00 0.00 N +ATOM 1060 CA LYS A 74 -6.662 20.804 253.726 1.00 0.00 C +ATOM 1061 C LYS A 74 -6.103 21.270 252.387 1.00 0.00 C +ATOM 1062 O LYS A 74 -5.739 20.488 251.532 1.00 0.00 O +ATOM 1063 CB LYS A 74 -5.524 20.216 254.563 1.00 0.00 C +ATOM 1064 CG LYS A 74 -6.034 19.899 255.971 1.00 0.15 C +ATOM 1065 CD LYS A 74 -4.884 19.356 256.827 1.00 0.22 C +ATOM 1066 CE LYS A 74 -3.967 20.504 257.262 1.00 0.62 C +ATOM 1067 NZ LYS A 74 -3.106 20.051 258.391 1.00 1.19 N +ATOM 1068 H LYS A 74 -7.541 18.843 253.779 1.00 0.00 H +ATOM 1069 HA LYS A 74 -7.065 21.658 254.243 1.00 0.00 H +ATOM 1070 HB2 LYS A 74 -5.165 19.310 254.097 1.00 0.11 H +ATOM 1071 HB3 LYS A 74 -4.719 20.932 254.627 1.00 0.11 H +ATOM 1072 HG2 LYS A 74 -6.430 20.797 256.422 1.00 0.21 H +ATOM 1073 HG3 LYS A 74 -6.814 19.155 255.910 1.00 0.21 H +ATOM 1074 HD2 LYS A 74 -5.287 18.867 257.702 1.00 0.47 H +ATOM 1075 HD3 LYS A 74 -4.313 18.644 256.249 1.00 0.70 H +ATOM 1076 HE2 LYS A 74 -3.342 20.802 256.434 1.00 1.41 H +ATOM 1077 HE3 LYS A 74 -4.565 21.345 257.583 1.00 1.37 H +ATOM 1078 HZ1 LYS A 74 -2.813 20.873 258.956 1.00 1.76 H +ATOM 1079 HZ2 LYS A 74 -2.263 19.573 258.015 1.00 1.65 H +ATOM 1080 HZ3 LYS A 74 -3.641 19.390 258.991 1.00 1.74 H +ATOM 1081 N THR A 75 -5.984 22.557 252.246 1.00 0.00 N +ATOM 1082 CA THR A 75 -5.398 23.137 251.009 1.00 0.00 C +ATOM 1083 C THR A 75 -3.906 23.291 251.259 1.00 0.00 C +ATOM 1084 O THR A 75 -3.433 23.079 252.357 1.00 0.00 O +ATOM 1085 CB THR A 75 -5.997 24.517 250.713 1.00 0.00 C +ATOM 1086 OG1 THR A 75 -5.491 25.459 251.648 1.00 0.00 O +ATOM 1087 CG2 THR A 75 -7.523 24.475 250.815 1.00 0.00 C +ATOM 1088 H THR A 75 -6.271 23.138 252.979 1.00 0.00 H +ATOM 1089 HA THR A 75 -5.552 22.481 250.163 1.00 0.00 H +ATOM 1090 HB THR A 75 -5.718 24.819 249.716 1.00 0.00 H +ATOM 1091 HG1 THR A 75 -5.239 24.982 252.441 1.00 0.00 H +ATOM 1092 HG21 THR A 75 -7.928 23.991 249.939 1.00 0.00 H +ATOM 1093 HG22 THR A 75 -7.903 25.482 250.878 1.00 0.00 H +ATOM 1094 HG23 THR A 75 -7.812 23.926 251.696 1.00 0.00 H +ATOM 1095 N ARG A 76 -3.151 23.655 250.273 1.00 0.00 N +ATOM 1096 CA ARG A 76 -1.697 23.806 250.511 1.00 0.00 C +ATOM 1097 C ARG A 76 -1.476 24.838 251.612 1.00 0.00 C +ATOM 1098 O ARG A 76 -0.432 24.856 252.232 1.00 0.00 O +ATOM 1099 CB ARG A 76 -0.982 24.244 249.230 1.00 0.00 C +ATOM 1100 CG ARG A 76 -0.943 23.076 248.242 1.00 0.01 C +ATOM 1101 CD ARG A 76 -0.050 23.449 247.057 1.00 0.03 C +ATOM 1102 NE ARG A 76 -0.101 22.368 246.017 1.00 0.03 N +ATOM 1103 CZ ARG A 76 0.218 21.132 246.296 1.00 0.02 C +ATOM 1104 NH1 ARG A 76 0.750 20.828 247.448 1.00 0.04 N +ATOM 1105 NH2 ARG A 76 0.050 20.202 245.397 1.00 0.02 N +ATOM 1106 H ARG A 76 -3.536 23.817 249.387 1.00 0.00 H +ATOM 1107 HA ARG A 76 -1.288 22.863 250.847 1.00 0.00 H +ATOM 1108 HB2 ARG A 76 -1.514 25.074 248.788 1.00 0.01 H +ATOM 1109 HB3 ARG A 76 0.027 24.546 249.467 1.00 0.01 H +ATOM 1110 HG2 ARG A 76 -0.553 22.205 248.740 1.00 0.03 H +ATOM 1111 HG3 ARG A 76 -1.942 22.871 247.887 1.00 0.03 H +ATOM 1112 HD2 ARG A 76 -0.417 24.348 246.605 1.00 0.04 H +ATOM 1113 HD3 ARG A 76 0.965 23.620 247.414 1.00 0.04 H +ATOM 1114 HE ARG A 76 -0.424 22.587 245.118 1.00 0.04 H +ATOM 1115 HH11 ARG A 76 0.919 21.543 248.125 1.00 0.04 H +ATOM 1116 HH12 ARG A 76 0.989 19.879 247.654 1.00 0.05 H +ATOM 1117 HH21 ARG A 76 -0.322 20.436 244.498 1.00 0.02 H +ATOM 1118 HH22 ARG A 76 0.293 19.254 245.605 1.00 0.03 H +ATOM 1119 N ALA A 77 -2.416 25.725 251.858 1.00 0.00 N +ATOM 1120 CA ALA A 77 -2.171 26.754 252.916 1.00 0.00 C +ATOM 1121 C ALA A 77 -2.512 26.180 254.303 1.00 0.00 C +ATOM 1122 O ALA A 77 -2.564 26.912 255.269 1.00 0.00 O +ATOM 1123 CB ALA A 77 -2.997 28.027 252.620 1.00 0.00 C +ATOM 1124 H ALA A 77 -3.250 25.736 251.342 1.00 0.00 H +ATOM 1125 HA ALA A 77 -1.114 26.982 252.885 1.00 0.00 H +ATOM 1126 HB1 ALA A 77 -3.695 27.820 251.823 1.00 0.00 H +ATOM 1127 HB2 ALA A 77 -2.336 28.827 252.314 1.00 0.00 H +ATOM 1128 HB3 ALA A 77 -3.543 28.336 253.501 1.00 0.00 H +ATOM 1129 N GLN A 78 -2.753 24.888 254.414 1.00 0.00 N +ATOM 1130 CA GLN A 78 -3.099 24.251 255.730 1.00 0.00 C +ATOM 1131 C GLN A 78 -4.439 24.759 256.269 1.00 0.00 C +ATOM 1132 O GLN A 78 -4.619 24.888 257.462 1.00 0.00 O +ATOM 1133 CB GLN A 78 -1.993 24.524 256.754 1.00 0.00 C +ATOM 1134 CG GLN A 78 -0.640 24.114 256.169 1.00 0.07 C +ATOM 1135 CD GLN A 78 -0.672 22.629 255.801 1.00 0.15 C +ATOM 1136 OE1 GLN A 78 -1.083 21.804 256.592 1.00 0.35 O +ATOM 1137 NE2 GLN A 78 -0.250 22.252 254.625 1.00 0.49 N +ATOM 1138 H GLN A 78 -2.758 24.301 253.629 1.00 0.00 H +ATOM 1139 HA GLN A 78 -3.184 23.188 255.575 1.00 0.00 H +ATOM 1140 HB2 GLN A 78 -1.977 25.575 257.000 1.00 0.05 H +ATOM 1141 HB3 GLN A 78 -2.183 23.950 257.648 1.00 0.05 H +ATOM 1142 HG2 GLN A 78 -0.438 24.701 255.284 1.00 0.13 H +ATOM 1143 HG3 GLN A 78 0.135 24.285 256.900 1.00 0.06 H +ATOM 1144 HE21 GLN A 78 0.083 22.918 253.987 1.00 0.75 H +ATOM 1145 HE22 GLN A 78 -0.266 21.303 254.380 1.00 0.54 H +ATOM 1146 N GLN A 79 -5.389 25.022 255.401 1.00 0.00 N +ATOM 1147 CA GLN A 79 -6.742 25.503 255.851 1.00 0.00 C +ATOM 1148 C GLN A 79 -7.814 24.501 255.381 1.00 0.00 C +ATOM 1149 O GLN A 79 -7.742 23.979 254.288 1.00 0.00 O +ATOM 1150 CB GLN A 79 -6.999 26.898 255.225 1.00 0.00 C +ATOM 1151 CG GLN A 79 -7.310 27.928 256.315 1.00 0.00 C +ATOM 1152 CD GLN A 79 -7.371 29.326 255.702 1.00 0.00 C +ATOM 1153 OE1 GLN A 79 -6.705 29.602 254.724 1.00 0.00 O +ATOM 1154 NE2 GLN A 79 -8.149 30.224 256.238 1.00 0.00 N +ATOM 1155 H GLN A 79 -5.216 24.890 254.445 1.00 0.00 H +ATOM 1156 HA GLN A 79 -6.773 25.566 256.932 1.00 0.00 H +ATOM 1157 HB2 GLN A 79 -6.115 27.212 254.690 1.00 0.00 H +ATOM 1158 HB3 GLN A 79 -7.830 26.853 254.536 1.00 0.00 H +ATOM 1159 HG2 GLN A 79 -8.261 27.694 256.769 1.00 0.00 H +ATOM 1160 HG3 GLN A 79 -6.535 27.902 257.065 1.00 0.00 H +ATOM 1161 HE21 GLN A 79 -8.687 30.002 257.027 1.00 0.00 H +ATOM 1162 HE22 GLN A 79 -8.194 31.123 255.852 1.00 0.00 H +ATOM 1163 N PHE A 80 -8.820 24.234 256.191 1.00 0.00 N +ATOM 1164 CA PHE A 80 -9.886 23.264 255.758 1.00 0.00 C +ATOM 1165 C PHE A 80 -10.968 24.021 254.969 1.00 0.00 C +ATOM 1166 O PHE A 80 -11.547 24.964 255.473 1.00 0.00 O +ATOM 1167 CB PHE A 80 -10.562 22.628 256.990 1.00 0.00 C +ATOM 1168 CG PHE A 80 -9.727 21.510 257.573 1.00 0.00 C +ATOM 1169 CD1 PHE A 80 -9.671 20.265 256.920 1.00 0.00 C +ATOM 1170 CD2 PHE A 80 -9.037 21.700 258.787 1.00 0.00 C +ATOM 1171 CE1 PHE A 80 -8.922 19.212 257.475 1.00 0.00 C +ATOM 1172 CE2 PHE A 80 -8.291 20.645 259.346 1.00 0.00 C +ATOM 1173 CZ PHE A 80 -8.233 19.401 258.690 1.00 0.00 C +ATOM 1174 H PHE A 80 -8.875 24.669 257.067 1.00 0.00 H +ATOM 1175 HA PHE A 80 -9.420 22.503 255.145 1.00 0.00 H +ATOM 1176 HB2 PHE A 80 -10.710 23.386 257.744 1.00 0.00 H +ATOM 1177 HB3 PHE A 80 -11.527 22.228 256.704 1.00 0.00 H +ATOM 1178 HD1 PHE A 80 -10.199 20.119 255.990 1.00 0.00 H +ATOM 1179 HD2 PHE A 80 -9.080 22.656 259.289 1.00 0.00 H +ATOM 1180 HE1 PHE A 80 -8.878 18.256 256.971 1.00 0.00 H +ATOM 1181 HE2 PHE A 80 -7.761 20.790 260.275 1.00 0.00 H +ATOM 1182 HZ PHE A 80 -7.660 18.591 259.118 1.00 0.00 H +ATOM 1183 N VAL A 81 -11.263 23.610 253.753 1.00 0.00 N +ATOM 1184 CA VAL A 81 -12.332 24.307 252.948 1.00 0.00 C +ATOM 1185 C VAL A 81 -13.358 23.276 252.486 1.00 0.00 C +ATOM 1186 O VAL A 81 -13.106 22.087 252.505 1.00 0.00 O +ATOM 1187 CB VAL A 81 -11.702 25.032 251.750 1.00 0.00 C +ATOM 1188 CG1 VAL A 81 -10.415 25.709 252.215 1.00 0.00 C +ATOM 1189 CG2 VAL A 81 -11.283 24.066 250.636 1.00 0.00 C +ATOM 1190 H VAL A 81 -10.781 22.846 253.372 1.00 0.00 H +ATOM 1191 HA VAL A 81 -12.819 25.046 253.571 1.00 0.00 H +ATOM 1192 HB VAL A 81 -12.388 25.771 251.363 1.00 0.00 H +ATOM 1193 HG11 VAL A 81 -10.014 26.303 251.409 1.00 0.00 H +ATOM 1194 HG12 VAL A 81 -9.698 24.958 252.504 1.00 0.00 H +ATOM 1195 HG13 VAL A 81 -10.632 26.347 253.059 1.00 0.00 H +ATOM 1196 HG21 VAL A 81 -12.163 23.618 250.197 1.00 0.00 H +ATOM 1197 HG22 VAL A 81 -10.651 23.294 251.047 1.00 0.00 H +ATOM 1198 HG23 VAL A 81 -10.741 24.609 249.875 1.00 0.00 H +ATOM 1199 N SER A 82 -14.527 23.706 252.101 1.00 0.00 N +ATOM 1200 CA SER A 82 -15.572 22.733 251.676 1.00 0.00 C +ATOM 1201 C SER A 82 -15.234 22.118 250.316 1.00 0.00 C +ATOM 1202 O SER A 82 -14.948 22.813 249.361 1.00 0.00 O +ATOM 1203 CB SER A 82 -16.923 23.444 251.587 1.00 0.00 C +ATOM 1204 OG SER A 82 -17.947 22.478 251.386 1.00 0.00 O +ATOM 1205 H SER A 82 -14.737 24.663 252.110 1.00 0.00 H +ATOM 1206 HA SER A 82 -15.638 21.945 252.411 1.00 0.00 H +ATOM 1207 HB2 SER A 82 -17.114 23.978 252.503 1.00 0.00 H +ATOM 1208 HB3 SER A 82 -16.908 24.145 250.760 1.00 0.00 H +ATOM 1209 HG SER A 82 -18.443 22.729 250.603 1.00 0.00 H +ATOM 1210 N THR A 83 -15.286 20.813 250.219 1.00 0.00 N +ATOM 1211 CA THR A 83 -14.987 20.123 248.924 1.00 0.00 C +ATOM 1212 C THR A 83 -16.044 19.044 248.686 1.00 0.00 C +ATOM 1213 O THR A 83 -16.687 18.571 249.602 1.00 0.00 O +ATOM 1214 CB THR A 83 -13.590 19.497 248.980 1.00 0.00 C +ATOM 1215 OG1 THR A 83 -13.329 18.816 247.761 1.00 0.00 O +ATOM 1216 CG2 THR A 83 -13.496 18.515 250.148 1.00 0.00 C +ATOM 1217 H THR A 83 -15.532 20.281 251.004 1.00 0.00 H +ATOM 1218 HA THR A 83 -15.030 20.833 248.107 1.00 0.00 H +ATOM 1219 HB THR A 83 -12.857 20.277 249.116 1.00 0.00 H +ATOM 1220 HG1 THR A 83 -14.161 18.472 247.430 1.00 0.00 H +ATOM 1221 HG21 THR A 83 -14.293 17.790 250.088 1.00 0.00 H +ATOM 1222 HG22 THR A 83 -13.567 19.056 251.079 1.00 0.00 H +ATOM 1223 HG23 THR A 83 -12.550 18.007 250.102 1.00 0.00 H +ATOM 1224 N LYS A 84 -16.229 18.655 247.453 1.00 0.00 N +ATOM 1225 CA LYS A 84 -17.249 17.615 247.148 1.00 0.00 C +ATOM 1226 C LYS A 84 -16.895 16.906 245.838 1.00 0.00 C +ATOM 1227 O LYS A 84 -16.132 17.392 245.027 1.00 0.00 O +ATOM 1228 CB LYS A 84 -18.619 18.276 247.028 1.00 0.00 C +ATOM 1229 CG LYS A 84 -18.606 19.287 245.882 1.00 0.00 C +ATOM 1230 CD LYS A 84 -19.877 20.144 245.938 1.00 0.00 C +ATOM 1231 CE LYS A 84 -20.168 20.756 244.566 1.00 0.00 C +ATOM 1232 NZ LYS A 84 -21.497 21.428 244.604 1.00 0.00 N +ATOM 1233 H LYS A 84 -15.702 19.042 246.724 1.00 0.00 H +ATOM 1234 HA LYS A 84 -17.283 16.875 247.933 1.00 0.00 H +ATOM 1235 HB2 LYS A 84 -19.367 17.522 246.832 1.00 0.00 H +ATOM 1236 HB3 LYS A 84 -18.853 18.785 247.951 1.00 0.00 H +ATOM 1237 HG2 LYS A 84 -17.736 19.922 245.976 1.00 0.00 H +ATOM 1238 HG3 LYS A 84 -18.566 18.757 244.944 1.00 0.00 H +ATOM 1239 HD2 LYS A 84 -20.715 19.535 246.242 1.00 0.00 H +ATOM 1240 HD3 LYS A 84 -19.734 20.939 246.654 1.00 0.00 H +ATOM 1241 HE2 LYS A 84 -19.404 21.477 244.323 1.00 0.00 H +ATOM 1242 HE3 LYS A 84 -20.183 19.979 243.812 1.00 0.00 H +ATOM 1243 HZ1 LYS A 84 -22.196 20.786 245.028 1.00 0.00 H +ATOM 1244 HZ2 LYS A 84 -21.789 21.661 243.637 1.00 0.00 H +ATOM 1245 HZ3 LYS A 84 -21.436 22.301 245.171 1.00 0.00 H +ATOM 1246 N ILE A 85 -17.449 15.737 245.653 1.00 0.00 N +ATOM 1247 CA ILE A 85 -17.179 14.926 244.433 1.00 0.00 C +ATOM 1248 C ILE A 85 -18.425 14.094 244.095 1.00 0.00 C +ATOM 1249 O ILE A 85 -19.174 13.690 244.962 1.00 0.00 O +ATOM 1250 CB ILE A 85 -15.982 14.011 244.711 1.00 0.00 C +ATOM 1251 CG1 ILE A 85 -15.551 13.308 243.415 1.00 0.00 C +ATOM 1252 CG2 ILE A 85 -16.352 12.971 245.774 1.00 0.00 C +ATOM 1253 CD1 ILE A 85 -14.247 12.527 243.654 1.00 0.00 C +ATOM 1254 H ILE A 85 -18.048 15.380 246.342 1.00 0.00 H +ATOM 1255 HA ILE A 85 -16.960 15.549 243.577 1.00 0.00 H +ATOM 1256 HB ILE A 85 -15.165 14.613 245.081 1.00 0.00 H +ATOM 1257 HG12 ILE A 85 -16.326 12.625 243.100 1.00 0.00 H +ATOM 1258 HG13 ILE A 85 -15.389 14.047 242.645 1.00 0.00 H +ATOM 1259 HG21 ILE A 85 -15.449 12.576 246.217 1.00 0.00 H +ATOM 1260 HG22 ILE A 85 -16.909 12.169 245.318 1.00 0.00 H +ATOM 1261 HG23 ILE A 85 -16.953 13.435 246.542 1.00 0.00 H +ATOM 1262 HD11 ILE A 85 -14.481 11.560 244.076 1.00 0.00 H +ATOM 1263 HD12 ILE A 85 -13.607 13.071 244.333 1.00 0.00 H +ATOM 1264 HD13 ILE A 85 -13.734 12.391 242.713 1.00 0.00 H +ATOM 1265 N ASN A 86 -18.648 13.848 242.831 1.00 0.00 N +ATOM 1266 CA ASN A 86 -19.846 13.053 242.412 1.00 0.00 C +ATOM 1267 C ASN A 86 -19.510 11.556 242.421 1.00 0.00 C +ATOM 1268 O ASN A 86 -18.741 11.094 241.612 1.00 0.00 O +ATOM 1269 CB ASN A 86 -20.248 13.468 240.992 1.00 0.00 C +ATOM 1270 CG ASN A 86 -21.652 12.944 240.679 1.00 0.00 C +ATOM 1271 OD1 ASN A 86 -22.138 12.042 241.333 1.00 0.00 O +ATOM 1272 ND2 ASN A 86 -22.327 13.475 239.695 1.00 0.00 N +ATOM 1273 H ASN A 86 -18.022 14.179 242.146 1.00 0.00 H +ATOM 1274 HA ASN A 86 -20.671 13.249 243.084 1.00 0.00 H +ATOM 1275 HB2 ASN A 86 -20.241 14.546 240.919 1.00 0.00 H +ATOM 1276 HB3 ASN A 86 -19.545 13.056 240.284 1.00 0.00 H +ATOM 1277 HD21 ASN A 86 -21.933 14.202 239.167 1.00 0.00 H +ATOM 1278 HD22 ASN A 86 -23.227 13.148 239.484 1.00 0.00 H +ATOM 1279 N LEU A 87 -20.103 10.793 243.305 1.00 0.00 N +ATOM 1280 CA LEU A 87 -19.831 9.317 243.340 1.00 0.00 C +ATOM 1281 C LEU A 87 -20.393 8.651 242.082 1.00 0.00 C +ATOM 1282 O LEU A 87 -19.999 7.559 241.727 1.00 0.00 O +ATOM 1283 CB LEU A 87 -20.514 8.681 244.557 1.00 0.00 C +ATOM 1284 CG LEU A 87 -20.125 9.425 245.838 1.00 0.00 C +ATOM 1285 CD1 LEU A 87 -20.723 8.690 247.048 1.00 0.00 C +ATOM 1286 CD2 LEU A 87 -18.595 9.490 245.954 1.00 0.00 C +ATOM 1287 H LEU A 87 -20.751 11.177 243.931 1.00 0.00 H +ATOM 1288 HA LEU A 87 -18.776 9.100 243.367 1.00 0.00 H +ATOM 1289 HB2 LEU A 87 -21.586 8.725 244.431 1.00 0.00 H +ATOM 1290 HB3 LEU A 87 -20.207 7.648 244.639 1.00 0.00 H +ATOM 1291 HG LEU A 87 -20.540 10.420 245.792 1.00 0.00 H +ATOM 1292 HD11 LEU A 87 -20.565 7.627 246.942 1.00 0.00 H +ATOM 1293 HD12 LEU A 87 -21.783 8.890 247.097 1.00 0.00 H +ATOM 1294 HD13 LEU A 87 -20.253 9.035 247.957 1.00 0.00 H +ATOM 1295 HD21 LEU A 87 -18.221 10.259 245.300 1.00 0.00 H +ATOM 1296 HD22 LEU A 87 -18.169 8.538 245.667 1.00 0.00 H +ATOM 1297 HD23 LEU A 87 -18.312 9.718 246.969 1.00 0.00 H +ATOM 1298 N ASP A 88 -21.332 9.266 241.427 1.00 0.00 N +ATOM 1299 CA ASP A 88 -21.932 8.619 240.223 1.00 0.00 C +ATOM 1300 C ASP A 88 -20.930 8.531 239.060 1.00 0.00 C +ATOM 1301 O ASP A 88 -21.183 7.858 238.083 1.00 0.00 O +ATOM 1302 CB ASP A 88 -23.150 9.427 239.766 1.00 0.00 C +ATOM 1303 CG ASP A 88 -24.289 9.257 240.775 1.00 0.00 C +ATOM 1304 OD1 ASP A 88 -24.274 8.273 241.497 1.00 0.00 O +ATOM 1305 OD2 ASP A 88 -25.155 10.114 240.808 1.00 0.00 O +ATOM 1306 H ASP A 88 -21.670 10.128 241.738 1.00 0.00 H +ATOM 1307 HA ASP A 88 -22.249 7.625 240.497 1.00 0.00 H +ATOM 1308 HB2 ASP A 88 -22.881 10.473 239.695 1.00 0.00 H +ATOM 1309 HB3 ASP A 88 -23.475 9.075 238.796 1.00 0.00 H +ATOM 1310 N ASP A 89 -19.824 9.228 239.112 1.00 0.00 N +ATOM 1311 CA ASP A 89 -18.857 9.194 237.970 1.00 0.00 C +ATOM 1312 C ASP A 89 -18.268 7.800 237.724 1.00 0.00 C +ATOM 1313 O ASP A 89 -18.027 7.430 236.592 1.00 0.00 O +ATOM 1314 CB ASP A 89 -17.687 10.136 238.269 1.00 0.00 C +ATOM 1315 CG ASP A 89 -18.172 11.588 238.231 1.00 0.00 C +ATOM 1316 OD1 ASP A 89 -19.211 11.829 237.637 1.00 0.00 O +ATOM 1317 OD2 ASP A 89 -17.495 12.434 238.793 1.00 0.00 O +ATOM 1318 H ASP A 89 -19.623 9.810 239.874 1.00 0.00 H +ATOM 1319 HA ASP A 89 -19.353 9.535 237.072 1.00 0.00 H +ATOM 1320 HB2 ASP A 89 -17.280 9.904 239.243 1.00 0.00 H +ATOM 1321 HB3 ASP A 89 -16.917 9.998 237.521 1.00 0.00 H +ATOM 1322 N HIS A 90 -17.945 7.053 238.759 1.00 0.00 N +ATOM 1323 CA HIS A 90 -17.284 5.718 238.534 1.00 0.00 C +ATOM 1324 C HIS A 90 -17.835 4.629 239.469 1.00 0.00 C +ATOM 1325 O HIS A 90 -17.553 3.460 239.288 1.00 0.00 O +ATOM 1326 CB HIS A 90 -15.781 5.902 238.765 1.00 0.00 C +ATOM 1327 CG HIS A 90 -15.269 6.908 237.768 1.00 0.00 C +ATOM 1328 ND1 HIS A 90 -15.098 6.589 236.428 1.00 0.00 N +ATOM 1329 CD2 HIS A 90 -14.919 8.235 237.885 1.00 0.00 C +ATOM 1330 CE1 HIS A 90 -14.668 7.695 235.796 1.00 0.00 C +ATOM 1331 NE2 HIS A 90 -14.541 8.725 236.637 1.00 0.00 N +ATOM 1332 H HIS A 90 -18.087 7.384 239.670 1.00 0.00 H +ATOM 1333 HA HIS A 90 -17.436 5.399 237.511 1.00 0.00 H +ATOM 1334 HB2 HIS A 90 -15.610 6.267 239.769 1.00 0.00 H +ATOM 1335 HB3 HIS A 90 -15.268 4.961 238.627 1.00 0.00 H +ATOM 1336 HD2 HIS A 90 -14.950 8.816 238.797 1.00 0.00 H +ATOM 1337 HE1 HIS A 90 -14.472 7.747 234.734 1.00 0.00 H +ATOM 1338 HE2 HIS A 90 -14.242 9.633 236.423 1.00 0.00 H +ATOM 1339 N ILE A 91 -18.622 4.978 240.448 1.00 0.00 N +ATOM 1340 CA ILE A 91 -19.178 3.927 241.357 1.00 0.00 C +ATOM 1341 C ILE A 91 -20.436 3.339 240.728 1.00 0.00 C +ATOM 1342 O ILE A 91 -21.456 3.992 240.634 1.00 0.00 O +ATOM 1343 CB ILE A 91 -19.527 4.549 242.713 1.00 0.00 C +ATOM 1344 CG1 ILE A 91 -18.247 5.079 243.412 1.00 0.00 C +ATOM 1345 CG2 ILE A 91 -20.250 3.508 243.584 1.00 0.00 C +ATOM 1346 CD1 ILE A 91 -17.258 3.934 243.713 1.00 0.00 C +ATOM 1347 H ILE A 91 -18.856 5.920 240.581 1.00 0.00 H +ATOM 1348 HA ILE A 91 -18.463 3.139 241.486 1.00 0.00 H +ATOM 1349 HB ILE A 91 -20.214 5.367 242.544 1.00 0.00 H +ATOM 1350 HG12 ILE A 91 -17.772 5.797 242.766 1.00 0.00 H +ATOM 1351 HG13 ILE A 91 -18.523 5.563 244.338 1.00 0.00 H +ATOM 1352 HG21 ILE A 91 -19.751 2.556 243.522 1.00 0.00 H +ATOM 1353 HG22 ILE A 91 -21.259 3.390 243.223 1.00 0.00 H +ATOM 1354 HG23 ILE A 91 -20.272 3.845 244.610 1.00 0.00 H +ATOM 1355 HD11 ILE A 91 -17.761 3.104 244.170 1.00 0.00 H +ATOM 1356 HD12 ILE A 91 -16.504 4.301 244.389 1.00 0.00 H +ATOM 1357 HD13 ILE A 91 -16.776 3.615 242.806 1.00 0.00 H +ATOM 1358 N ALA A 92 -20.357 2.101 240.295 1.00 0.00 N +ATOM 1359 CA ALA A 92 -21.554 1.450 239.657 1.00 0.00 C +ATOM 1360 C ALA A 92 -21.995 0.220 240.457 1.00 0.00 C +ATOM 1361 O ALA A 92 -21.295 -0.269 241.320 1.00 0.00 O +ATOM 1362 CB ALA A 92 -21.234 0.993 238.219 1.00 0.00 C +ATOM 1363 H ALA A 92 -19.512 1.603 240.398 1.00 0.00 H +ATOM 1364 HA ALA A 92 -22.382 2.146 239.624 1.00 0.00 H +ATOM 1365 HB1 ALA A 92 -20.851 -0.019 238.222 1.00 0.00 H +ATOM 1366 HB2 ALA A 92 -20.490 1.652 237.797 1.00 0.00 H +ATOM 1367 HB3 ALA A 92 -22.130 1.035 237.616 1.00 0.00 H +ATOM 1368 N ASN A 93 -23.157 -0.291 240.134 1.00 0.00 N +ATOM 1369 CA ASN A 93 -23.690 -1.512 240.811 1.00 0.00 C +ATOM 1370 C ASN A 93 -23.690 -2.647 239.787 1.00 0.00 C +ATOM 1371 O ASN A 93 -24.464 -2.634 238.851 1.00 0.00 O +ATOM 1372 CB ASN A 93 -25.122 -1.254 241.277 1.00 0.00 C +ATOM 1373 CG ASN A 93 -25.595 -2.434 242.125 1.00 0.50 C +ATOM 1374 OD1 ASN A 93 -25.015 -2.730 243.151 1.00 0.93 O +ATOM 1375 ND2 ASN A 93 -26.632 -3.126 241.739 1.00 0.46 N +ATOM 1376 H ASN A 93 -23.679 0.120 239.413 1.00 0.00 H +ATOM 1377 HA ASN A 93 -23.071 -1.780 241.658 1.00 0.00 H +ATOM 1378 HB2 ASN A 93 -25.153 -0.349 241.866 1.00 0.35 H +ATOM 1379 HB3 ASN A 93 -25.768 -1.149 240.418 1.00 0.35 H +ATOM 1380 HD21 ASN A 93 -27.099 -2.888 240.911 1.00 0.15 H +ATOM 1381 HD22 ASN A 93 -26.942 -3.884 242.276 1.00 0.78 H +ATOM 1382 N ILE A 94 -22.844 -3.635 239.960 1.00 0.00 N +ATOM 1383 CA ILE A 94 -22.809 -4.787 238.997 1.00 0.00 C +ATOM 1384 C ILE A 94 -23.279 -6.027 239.758 1.00 0.00 C +ATOM 1385 O ILE A 94 -22.579 -6.585 240.578 1.00 0.00 O +ATOM 1386 CB ILE A 94 -21.377 -5.001 238.497 1.00 0.00 C +ATOM 1387 CG1 ILE A 94 -20.827 -3.687 237.933 1.00 0.00 C +ATOM 1388 CG2 ILE A 94 -21.374 -6.064 237.398 1.00 0.00 C +ATOM 1389 CD1 ILE A 94 -21.829 -3.090 236.943 1.00 0.00 C +ATOM 1390 H ILE A 94 -22.243 -3.645 240.734 1.00 0.00 H +ATOM 1391 HA ILE A 94 -23.470 -4.599 238.159 1.00 0.00 H +ATOM 1392 HB ILE A 94 -20.756 -5.331 239.318 1.00 0.00 H +ATOM 1393 HG12 ILE A 94 -20.661 -2.990 238.742 1.00 0.00 H +ATOM 1394 HG13 ILE A 94 -19.893 -3.877 237.426 1.00 0.00 H +ATOM 1395 HG21 ILE A 94 -21.751 -6.995 237.796 1.00 0.90 H +ATOM 1396 HG22 ILE A 94 -20.366 -6.208 237.039 1.00 0.90 H +ATOM 1397 HG23 ILE A 94 -22.004 -5.741 236.582 1.00 0.90 H +ATOM 1398 HD11 ILE A 94 -21.321 -2.392 236.293 1.00 0.96 H +ATOM 1399 HD12 ILE A 94 -22.608 -2.574 237.485 1.00 0.96 H +ATOM 1400 HD13 ILE A 94 -22.265 -3.880 236.351 1.00 0.96 H +ATOM 1401 N ASP A 95 -24.470 -6.455 239.456 1.00 0.00 N +ATOM 1402 CA ASP A 95 -25.045 -7.670 240.097 1.00 0.00 C +ATOM 1403 C ASP A 95 -25.282 -7.477 241.601 1.00 0.00 C +ATOM 1404 O ASP A 95 -25.178 -8.415 242.367 1.00 0.00 O +ATOM 1405 CB ASP A 95 -24.097 -8.856 239.872 1.00 0.00 C +ATOM 1406 CG ASP A 95 -24.864 -10.169 240.064 1.00 0.00 C +ATOM 1407 OD1 ASP A 95 -25.968 -10.117 240.583 1.00 0.00 O +ATOM 1408 OD2 ASP A 95 -24.334 -11.201 239.685 1.00 0.00 O +ATOM 1409 H ASP A 95 -24.992 -5.988 238.769 1.00 0.00 H +ATOM 1410 HA ASP A 95 -25.994 -7.891 239.623 1.00 0.00 H +ATOM 1411 HB2 ASP A 95 -23.701 -8.811 238.866 1.00 0.00 H +ATOM 1412 HB3 ASP A 95 -23.283 -8.812 240.581 1.00 0.00 H +ATOM 1413 N GLY A 96 -25.620 -6.292 242.044 1.00 0.00 N +ATOM 1414 CA GLY A 96 -25.880 -6.092 243.506 1.00 0.00 C +ATOM 1415 C GLY A 96 -24.571 -5.833 244.260 1.00 0.00 C +ATOM 1416 O GLY A 96 -24.570 -5.656 245.462 1.00 0.00 O +ATOM 1417 H GLY A 96 -25.697 -5.522 241.440 1.00 0.00 H +ATOM 1418 HA2 GLY A 96 -26.539 -5.246 243.637 1.00 0.00 H +ATOM 1419 HA3 GLY A 96 -26.352 -6.976 243.910 1.00 0.00 H +ATOM 1420 N THR A 97 -23.463 -5.798 243.563 1.00 0.00 N +ATOM 1421 CA THR A 97 -22.144 -5.541 244.235 1.00 0.00 C +ATOM 1422 C THR A 97 -21.533 -4.256 243.666 1.00 0.00 C +ATOM 1423 O THR A 97 -21.574 -4.016 242.475 1.00 0.00 O +ATOM 1424 CB THR A 97 -21.212 -6.735 243.977 1.00 0.00 C +ATOM 1425 OG1 THR A 97 -21.705 -7.865 244.681 1.00 0.00 O +ATOM 1426 CG2 THR A 97 -19.788 -6.420 244.458 1.00 0.00 C +ATOM 1427 H THR A 97 -23.491 -5.928 242.591 1.00 0.00 H +ATOM 1428 HA THR A 97 -22.281 -5.423 245.302 1.00 0.00 H +ATOM 1429 HB THR A 97 -21.196 -6.958 242.922 1.00 0.00 H +ATOM 1430 HG1 THR A 97 -21.818 -7.617 245.601 1.00 0.00 H +ATOM 1431 HG21 THR A 97 -19.235 -5.948 243.661 1.00 0.00 H +ATOM 1432 HG22 THR A 97 -19.295 -7.339 244.739 1.00 0.00 H +ATOM 1433 HG23 THR A 97 -19.823 -5.758 245.312 1.00 0.00 H +ATOM 1434 N LEU A 98 -20.978 -3.417 244.507 1.00 0.00 N +ATOM 1435 CA LEU A 98 -20.384 -2.142 244.004 1.00 0.00 C +ATOM 1436 C LEU A 98 -18.976 -2.402 243.474 1.00 0.00 C +ATOM 1437 O LEU A 98 -18.201 -3.123 244.072 1.00 0.00 O +ATOM 1438 CB LEU A 98 -20.278 -1.122 245.141 1.00 0.00 C +ATOM 1439 CG LEU A 98 -21.650 -0.803 245.753 1.00 0.00 C +ATOM 1440 CD1 LEU A 98 -21.456 0.318 246.783 1.00 0.00 C +ATOM 1441 CD2 LEU A 98 -22.631 -0.355 244.653 1.00 0.00 C +ATOM 1442 H LEU A 98 -20.960 -3.617 245.467 1.00 0.00 H +ATOM 1443 HA LEU A 98 -20.993 -1.743 243.210 1.00 0.00 H +ATOM 1444 HB2 LEU A 98 -19.632 -1.518 245.912 1.00 0.00 H +ATOM 1445 HB3 LEU A 98 -19.842 -0.212 244.753 1.00 0.00 H +ATOM 1446 HG LEU A 98 -22.035 -1.685 246.248 1.00 0.00 H +ATOM 1447 HD11 LEU A 98 -20.934 -0.075 247.643 1.00 0.00 H +ATOM 1448 HD12 LEU A 98 -22.417 0.700 247.094 1.00 0.00 H +ATOM 1449 HD13 LEU A 98 -20.875 1.117 246.347 1.00 0.00 H +ATOM 1450 HD21 LEU A 98 -23.434 0.221 245.090 1.00 0.00 H +ATOM 1451 HD22 LEU A 98 -23.043 -1.227 244.165 1.00 0.00 H +ATOM 1452 HD23 LEU A 98 -22.110 0.250 243.926 1.00 0.00 H +ATOM 1453 N LYS A 99 -18.636 -1.797 242.364 1.00 0.00 N +ATOM 1454 CA LYS A 99 -17.271 -1.972 241.780 1.00 0.00 C +ATOM 1455 C LYS A 99 -16.873 -0.694 241.032 1.00 0.00 C +ATOM 1456 O LYS A 99 -17.622 -0.185 240.215 1.00 0.00 O +ATOM 1457 CB LYS A 99 -17.283 -3.149 240.798 1.00 0.00 C +ATOM 1458 CG LYS A 99 -17.285 -4.469 241.570 1.00 0.00 C +ATOM 1459 CD LYS A 99 -17.300 -5.650 240.591 1.00 0.00 C +ATOM 1460 CE LYS A 99 -17.450 -6.982 241.360 1.00 0.00 C +ATOM 1461 NZ LYS A 99 -16.502 -7.984 240.798 1.00 0.00 N +ATOM 1462 H LYS A 99 -19.281 -1.210 241.916 1.00 0.00 H +ATOM 1463 HA LYS A 99 -16.561 -2.184 242.567 1.00 0.00 H +ATOM 1464 HB2 LYS A 99 -18.172 -3.093 240.201 1.00 0.00 H +ATOM 1465 HB3 LYS A 99 -16.412 -3.105 240.161 1.00 0.00 H +ATOM 1466 HG2 LYS A 99 -16.401 -4.528 242.189 1.00 0.00 H +ATOM 1467 HG3 LYS A 99 -18.156 -4.516 242.190 1.00 0.00 H +ATOM 1468 HD2 LYS A 99 -18.124 -5.531 239.900 1.00 0.00 H +ATOM 1469 HD3 LYS A 99 -16.373 -5.663 240.039 1.00 0.00 H +ATOM 1470 HE2 LYS A 99 -17.229 -6.838 242.411 1.00 0.00 H +ATOM 1471 HE3 LYS A 99 -18.461 -7.351 241.258 1.00 0.00 H +ATOM 1472 HZ1 LYS A 99 -16.105 -8.554 241.571 1.00 0.00 H +ATOM 1473 HZ2 LYS A 99 -15.732 -7.494 240.301 1.00 0.00 H +ATOM 1474 HZ3 LYS A 99 -17.008 -8.604 240.133 1.00 0.00 H +ATOM 1475 N TYR A 100 -15.704 -0.173 241.288 1.00 0.00 N +ATOM 1476 CA TYR A 100 -15.245 1.064 240.585 1.00 0.00 C +ATOM 1477 C TYR A 100 -14.963 0.726 239.116 1.00 0.00 C +ATOM 1478 O TYR A 100 -14.407 -0.309 238.805 1.00 0.00 O +ATOM 1479 CB TYR A 100 -13.942 1.538 241.239 1.00 0.00 C +ATOM 1480 CG TYR A 100 -13.367 2.696 240.457 1.00 0.00 C +ATOM 1481 CD1 TYR A 100 -12.569 2.450 239.323 1.00 0.00 C +ATOM 1482 CD2 TYR A 100 -13.625 4.022 240.862 1.00 0.00 C +ATOM 1483 CE1 TYR A 100 -12.028 3.526 238.593 1.00 0.00 C +ATOM 1484 CE2 TYR A 100 -13.083 5.099 240.131 1.00 0.00 C +ATOM 1485 CZ TYR A 100 -12.285 4.850 238.997 1.00 0.00 C +ATOM 1486 OH TYR A 100 -11.753 5.904 238.283 1.00 0.00 O +ATOM 1487 H TYR A 100 -15.116 -0.604 241.943 1.00 0.00 H +ATOM 1488 HA TYR A 100 -15.985 1.850 240.656 1.00 0.00 H +ATOM 1489 HB2 TYR A 100 -14.144 1.854 242.252 1.00 0.00 H +ATOM 1490 HB3 TYR A 100 -13.229 0.726 241.250 1.00 0.00 H +ATOM 1491 HD1 TYR A 100 -12.366 1.434 239.014 1.00 0.00 H +ATOM 1492 HD2 TYR A 100 -14.236 4.212 241.732 1.00 0.00 H +ATOM 1493 HE1 TYR A 100 -11.416 3.336 237.724 1.00 0.00 H +ATOM 1494 HE2 TYR A 100 -13.280 6.113 240.440 1.00 0.00 H +ATOM 1495 HH TYR A 100 -12.454 6.539 238.124 1.00 0.00 H +ATOM 1496 N GLU A 101 -15.328 1.596 238.207 1.00 0.00 N +ATOM 1497 CA GLU A 101 -15.067 1.332 236.757 1.00 0.00 C +ATOM 1498 C GLU A 101 -14.766 2.653 236.044 1.00 0.00 C +ATOM 1499 O GLU A 101 -14.009 2.628 235.087 1.00 0.00 O +ATOM 1500 CB GLU A 101 -16.297 0.671 236.121 1.00 0.00 C +ATOM 1501 CG GLU A 101 -17.507 1.610 236.204 1.00 0.00 C +ATOM 1502 CD GLU A 101 -18.728 0.919 235.594 1.00 0.00 C +ATOM 1503 OE1 GLU A 101 -18.586 -0.210 235.156 1.00 0.00 O +ATOM 1504 OE2 GLU A 101 -19.780 1.535 235.566 1.00 0.00 O +ATOM 1505 OXT GLU A 101 -15.298 3.666 236.467 1.00 0.00 O +ATOM 1506 H GLU A 101 -15.760 2.433 238.479 1.00 0.00 H +ATOM 1507 HA GLU A 101 -14.215 0.673 236.654 1.00 0.00 H +ATOM 1508 HB2 GLU A 101 -16.088 0.449 235.085 1.00 0.00 H +ATOM 1509 HB3 GLU A 101 -16.522 -0.246 236.645 1.00 0.00 H +ATOM 1510 HG2 GLU A 101 -17.706 1.852 237.238 1.00 0.00 H +ATOM 1511 HG3 GLU A 101 -17.304 2.517 235.655 1.00 0.00 H +TER 1512 GLU A 101 +END diff --git a/bench/main_benchmark/structures/SFB_OL_CVN_1IIYA_3EZMA/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_CVN_1IIYA_3EZMA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..890e92675937c5dbc8928f32c062d99305f54993 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_CVN_1IIYA_3EZMA/state_b.pdb @@ -0,0 +1,787 @@ +ATOM 1 N LEU A 1 10.565 18.089 20.166 1.00 13.95 N +ATOM 2 CA LEU A 1 11.357 18.656 21.298 1.00 11.97 C +ATOM 3 C LEU A 1 12.724 17.989 21.387 1.00 11.79 C +ATOM 4 O LEU A 1 12.940 16.927 20.804 1.00 12.87 O +ATOM 5 CB LEU A 1 10.625 18.440 22.628 1.00 12.56 C +ATOM 6 CG LEU A 1 9.229 19.029 22.837 1.00 13.10 C +ATOM 7 CD1 LEU A 1 8.685 18.570 24.183 1.00 15.65 C +ATOM 8 CD2 LEU A 1 9.287 20.543 22.779 1.00 13.74 C +ATOM 9 N GLY A 2 13.635 18.627 22.121 1.00 9.89 N +ATOM 10 CA GLY A 2 14.976 18.095 22.332 1.00 10.41 C +ATOM 11 C GLY A 2 15.903 18.047 21.133 1.00 9.63 C +ATOM 12 O GLY A 2 16.134 19.059 20.470 1.00 9.79 O +ATOM 13 N LYS A 3 16.466 16.863 20.891 1.00 8.84 N +ATOM 14 CA LYS A 3 17.369 16.607 19.764 1.00 8.83 C +ATOM 15 C LYS A 3 18.734 17.288 19.833 1.00 9.10 C +ATOM 16 O LYS A 3 19.389 17.466 18.804 1.00 9.91 O +ATOM 17 CB LYS A 3 16.689 16.999 18.445 1.00 10.66 C +ATOM 18 CG LYS A 3 15.324 16.371 18.229 1.00 13.70 C +ATOM 19 CD LYS A 3 14.732 16.814 16.900 1.00 16.10 C +ATOM 20 CE LYS A 3 13.376 16.179 16.658 1.00 18.09 C +ATOM 21 NZ LYS A 3 12.809 16.598 15.342 1.00 19.58 N +ATOM 22 N PHE A 4 19.183 17.652 21.030 1.00 7.11 N +ATOM 23 CA PHE A 4 20.474 18.323 21.169 1.00 6.52 C +ATOM 24 C PHE A 4 21.647 17.559 20.548 1.00 7.32 C +ATOM 25 O PHE A 4 22.548 18.167 19.974 1.00 7.83 O +ATOM 26 CB PHE A 4 20.786 18.581 22.649 1.00 6.36 C +ATOM 27 CG PHE A 4 21.387 17.397 23.357 1.00 6.72 C +ATOM 28 CD1 PHE A 4 20.571 16.400 23.881 1.00 7.70 C +ATOM 29 CD2 PHE A 4 22.771 17.249 23.449 1.00 7.25 C +ATOM 30 CE1 PHE A 4 21.121 15.268 24.483 1.00 7.31 C +ATOM 31 CE2 PHE A 4 23.331 16.124 24.050 1.00 8.98 C +ATOM 32 CZ PHE A 4 22.505 15.130 24.567 1.00 8.02 C +ATOM 33 N SER A 5 21.636 16.233 20.651 1.00 8.61 N +ATOM 34 CA SER A 5 22.751 15.438 20.141 1.00 8.40 C +ATOM 35 C SER A 5 23.101 15.660 18.675 1.00 8.78 C +ATOM 36 O SER A 5 24.254 15.496 18.281 1.00 10.78 O +ATOM 37 CB SER A 5 22.511 13.940 20.388 1.00 10.05 C +ATOM 38 OG SER A 5 21.505 13.413 19.543 1.00 11.80 O +ATOM 39 N GLN A 6 22.122 16.050 17.868 1.00 8.34 N +ATOM 40 CA GLN A 6 22.373 16.266 16.449 1.00 8.35 C +ATOM 41 C GLN A 6 23.310 17.420 16.121 1.00 9.41 C +ATOM 42 O GLN A 6 23.950 17.412 15.069 1.00 10.78 O +ATOM 43 CB GLN A 6 21.052 16.467 15.708 1.00 8.29 C +ATOM 44 CG GLN A 6 20.343 15.169 15.383 1.00 10.37 C +ATOM 45 CD GLN A 6 21.143 14.324 14.417 1.00 13.26 C +ATOM 46 OE1 GLN A 6 21.468 14.768 13.316 1.00 11.88 O +ATOM 47 NE2 GLN A 6 21.472 13.101 14.823 1.00 13.31 N +ATOM 48 N THR A 7 23.400 18.407 17.007 1.00 9.99 N +ATOM 49 CA THR A 7 24.265 19.554 16.751 1.00 9.51 C +ATOM 50 C THR A 7 25.260 19.859 17.865 1.00 9.83 C +ATOM 51 O THR A 7 25.704 20.998 18.023 1.00 10.84 O +ATOM 52 CB THR A 7 23.429 20.818 16.467 1.00 12.97 C +ATOM 53 OG1 THR A 7 22.552 21.074 17.569 1.00 15.55 O +ATOM 54 CG2 THR A 7 22.607 20.627 15.195 1.00 14.82 C +ATOM 55 N CYS A 8 25.608 18.835 18.636 1.00 7.83 N +ATOM 56 CA CYS A 8 26.569 18.985 19.721 1.00 8.49 C +ATOM 57 C CYS A 8 27.552 17.818 19.652 1.00 9.06 C +ATOM 58 O CYS A 8 27.315 16.837 18.937 1.00 9.42 O +ATOM 59 CB CYS A 8 25.871 18.948 21.083 1.00 8.06 C +ATOM 60 SG CYS A 8 24.489 20.106 21.363 1.00 8.13 S +ATOM 61 N TYR A 9 28.652 17.934 20.391 1.00 7.39 N +ATOM 62 CA TYR A 9 29.660 16.878 20.448 1.00 7.82 C +ATOM 63 C TYR A 9 30.393 16.957 21.785 1.00 8.27 C +ATOM 64 O TYR A 9 30.232 17.925 22.528 1.00 8.87 O +ATOM 65 CB TYR A 9 30.650 17.006 19.281 1.00 7.45 C +ATOM 66 CG TYR A 9 31.643 18.142 19.401 1.00 9.14 C +ATOM 67 CD1 TYR A 9 31.344 19.409 18.900 1.00 9.26 C +ATOM 68 CD2 TYR A 9 32.885 17.951 20.006 1.00 11.10 C +ATOM 69 CE1 TYR A 9 32.256 20.456 18.998 1.00 9.02 C +ATOM 70 CE2 TYR A 9 33.806 18.995 20.107 1.00 11.51 C +ATOM 71 CZ TYR A 9 33.484 20.244 19.600 1.00 10.86 C +ATOM 72 OH TYR A 9 34.386 21.283 19.686 1.00 13.44 O +ATOM 73 N ASN A 10 31.189 15.936 22.089 1.00 9.11 N +ATOM 74 CA ASN A 10 31.932 15.887 23.347 1.00 10.20 C +ATOM 75 C ASN A 10 30.991 15.929 24.541 1.00 10.19 C +ATOM 76 O ASN A 10 31.283 16.561 25.559 1.00 11.08 O +ATOM 77 CB ASN A 10 32.937 17.043 23.438 1.00 11.74 C +ATOM 78 CG ASN A 10 34.284 16.691 22.842 1.00 15.35 C +ATOM 79 OD1 ASN A 10 34.534 15.539 22.485 1.00 19.61 O +ATOM 80 ND2 ASN A 10 35.167 17.680 22.744 1.00 18.11 N +ATOM 81 N SER A 11 29.858 15.250 24.412 1.00 8.07 N +ATOM 82 CA SER A 11 28.881 15.198 25.491 1.00 10.00 C +ATOM 83 C SER A 11 29.356 14.240 26.566 1.00 9.66 C +ATOM 84 O SER A 11 30.037 13.254 26.283 1.00 10.61 O +ATOM 85 CB SER A 11 27.527 14.728 24.965 1.00 9.17 C +ATOM 86 OG SER A 11 27.017 15.642 24.016 1.00 10.23 O +ATOM 87 N ALA A 12 28.982 14.527 27.805 1.00 9.18 N +ATOM 88 CA ALA A 12 29.371 13.683 28.916 1.00 9.69 C +ATOM 89 C ALA A 12 28.420 13.848 30.081 1.00 10.07 C +ATOM 90 O ALA A 12 27.790 14.893 30.247 1.00 9.70 O +ATOM 91 CB ALA A 12 30.787 14.020 29.357 1.00 11.28 C +ATOM 92 N AILE A 13 28.310 12.802 30.889 0.50 9.07 N +ATOM 93 N BILE A 13 28.318 12.795 30.882 0.50 8.84 N +ATOM 94 CA AILE A 13 27.449 12.835 32.057 0.50 10.94 C +ATOM 95 CA BILE A 13 27.462 12.786 32.055 0.50 10.49 C +ATOM 96 C AILE A 13 28.289 12.527 33.285 0.50 11.35 C +ATOM 97 C BILE A 13 28.322 12.532 33.284 0.50 11.02 C +ATOM 98 O AILE A 13 29.046 11.557 33.308 0.50 11.65 O +ATOM 99 O BILE A 13 29.129 11.604 33.305 0.50 11.13 O +ATOM 100 CB AILE A 13 26.305 11.806 31.948 0.50 11.27 C +ATOM 101 CB BILE A 13 26.392 11.667 31.967 0.50 10.86 C +ATOM 102 CG1AILE A 13 25.380 12.184 30.788 0.50 13.16 C +ATOM 103 CG1BILE A 13 25.304 12.052 30.962 0.50 12.29 C +ATOM 104 CG2AILE A 13 25.524 11.750 33.256 0.50 12.91 C +ATOM 105 CG2BILE A 13 25.786 11.406 33.342 0.50 11.22 C +ATOM 106 CD1AILE A 13 24.256 11.201 30.547 0.50 13.16 C +ATOM 107 CD1BILE A 13 24.450 13.222 31.393 0.50 13.27 C +ATOM 108 N GLN A 14 28.158 13.374 34.296 1.00 11.36 N +ATOM 109 CA GLN A 14 28.889 13.219 35.541 1.00 12.72 C +ATOM 110 C GLN A 14 27.826 13.429 36.601 1.00 12.52 C +ATOM 111 O GLN A 14 27.277 14.525 36.730 1.00 12.34 O +ATOM 112 CB GLN A 14 29.988 14.276 35.666 1.00 16.48 C +ATOM 113 CG GLN A 14 30.881 14.071 36.879 1.00 23.09 C +ATOM 114 CD GLN A 14 31.634 12.753 36.839 1.00 26.64 C +ATOM 115 OE1 GLN A 14 32.154 12.295 37.855 1.00 30.32 O +ATOM 116 NE2 GLN A 14 31.704 12.141 35.660 1.00 27.35 N +ATOM 117 N GLY A 15 27.519 12.375 37.347 1.00 12.44 N +ATOM 118 CA GLY A 15 26.483 12.487 38.353 1.00 12.15 C +ATOM 119 C GLY A 15 25.168 12.738 37.642 1.00 12.31 C +ATOM 120 O GLY A 15 24.729 11.923 36.829 1.00 11.21 O +ATOM 121 N SER A 16 24.543 13.875 37.924 1.00 11.24 N +ATOM 122 CA SER A 16 23.275 14.214 37.290 1.00 11.53 C +ATOM 123 C SER A 16 23.451 15.311 36.247 1.00 10.56 C +ATOM 124 O SER A 16 22.476 15.750 35.640 1.00 10.71 O +ATOM 125 CB SER A 16 22.274 14.691 38.341 1.00 12.04 C +ATOM 126 OG SER A 16 22.729 15.887 38.951 1.00 12.04 O +ATOM 127 N VAL A 17 24.691 15.739 36.028 1.00 10.24 N +ATOM 128 CA VAL A 17 24.957 16.819 35.085 1.00 9.70 C +ATOM 129 C VAL A 17 25.439 16.410 33.698 1.00 9.08 C +ATOM 130 O VAL A 17 26.406 15.662 33.552 1.00 12.15 O +ATOM 131 CB VAL A 17 25.988 17.813 35.669 1.00 9.32 C +ATOM 132 CG1 VAL A 17 26.171 18.996 34.728 1.00 9.84 C +ATOM 133 CG2 VAL A 17 25.531 18.286 37.037 1.00 10.82 C +ATOM 134 N LEU A 18 24.751 16.924 32.683 1.00 8.63 N +ATOM 135 CA LEU A 18 25.097 16.681 31.289 1.00 8.40 C +ATOM 136 C LEU A 18 25.842 17.914 30.802 1.00 8.22 C +ATOM 137 O LEU A 18 25.384 19.038 31.004 1.00 8.55 O +ATOM 138 CB LEU A 18 23.837 16.504 30.437 1.00 8.95 C +ATOM 139 CG LEU A 18 24.032 16.570 28.915 1.00 8.16 C +ATOM 140 CD1 LEU A 18 24.753 15.316 28.424 1.00 8.77 C +ATOM 141 CD2 LEU A 18 22.677 16.707 28.229 1.00 8.55 C +ATOM 142 N THR A 19 26.989 17.700 30.167 1.00 7.70 N +ATOM 143 CA THR A 19 27.786 18.789 29.620 1.00 7.37 C +ATOM 144 C THR A 19 28.014 18.462 28.153 1.00 7.91 C +ATOM 145 O THR A 19 28.219 17.302 27.797 1.00 8.73 O +ATOM 146 CB THR A 19 29.153 18.903 30.330 1.00 7.94 C +ATOM 147 OG1 THR A 19 28.949 19.187 31.721 1.00 9.09 O +ATOM 148 CG2 THR A 19 29.987 20.015 29.706 1.00 8.90 C +ATOM 149 N SER A 20 27.954 19.470 27.294 1.00 8.24 N +ATOM 150 CA SER A 20 28.171 19.241 25.871 1.00 8.85 C +ATOM 151 C SER A 20 28.607 20.520 25.171 1.00 8.32 C +ATOM 152 O SER A 20 28.359 21.624 25.662 1.00 9.56 O +ATOM 153 CB SER A 20 26.895 18.704 25.216 1.00 9.41 C +ATOM 154 OG SER A 20 27.146 18.286 23.884 1.00 10.53 O +ATOM 155 N THR A 21 29.267 20.363 24.028 1.00 9.33 N +ATOM 156 CA THR A 21 29.730 21.498 23.236 1.00 8.73 C +ATOM 157 C THR A 21 28.804 21.551 22.028 1.00 8.53 C +ATOM 158 O THR A 21 28.778 20.632 21.209 1.00 8.24 O +ATOM 159 CB THR A 21 31.194 21.305 22.815 1.00 9.35 C +ATOM 160 OG1 THR A 21 32.005 21.232 23.997 1.00 10.85 O +ATOM 161 CG2 THR A 21 31.671 22.471 21.961 1.00 9.22 C +ATOM 162 N CYS A 22 28.048 22.638 21.925 1.00 8.54 N +ATOM 163 CA CYS A 22 27.051 22.766 20.874 1.00 8.91 C +ATOM 164 C CYS A 22 27.219 23.910 19.885 1.00 9.31 C +ATOM 165 O CYS A 22 27.751 24.968 20.214 1.00 10.50 O +ATOM 166 CB CYS A 22 25.680 22.875 21.528 1.00 9.34 C +ATOM 167 SG CYS A 22 25.234 21.499 22.638 1.00 8.86 S +ATOM 168 N GLU A 23 26.719 23.687 18.673 1.00 9.75 N +ATOM 169 CA GLU A 23 26.796 24.672 17.604 1.00 12.30 C +ATOM 170 C GLU A 23 25.851 25.840 17.821 1.00 12.29 C +ATOM 171 O GLU A 23 24.694 25.652 18.196 1.00 12.52 O +ATOM 172 CB GLU A 23 26.430 24.033 16.264 1.00 15.90 C +ATOM 173 CG GLU A 23 27.317 22.902 15.812 1.00 21.16 C +ATOM 174 CD GLU A 23 26.831 22.291 14.511 1.00 24.26 C +ATOM 175 OE1 GLU A 23 25.766 22.718 14.012 1.00 24.13 O +ATOM 176 OE2 GLU A 23 27.512 21.384 13.990 1.00 27.78 O +ATOM 177 N ARG A 24 26.348 27.047 17.575 1.00 12.98 N +ATOM 178 CA ARG A 24 25.520 28.239 17.687 1.00 14.14 C +ATOM 179 C ARG A 24 24.959 28.512 16.292 1.00 14.50 C +ATOM 180 O ARG A 24 25.474 27.998 15.298 1.00 14.53 O +ATOM 181 CB ARG A 24 26.346 29.439 18.152 1.00 15.70 C +ATOM 182 CG ARG A 24 26.954 29.285 19.534 1.00 19.85 C +ATOM 183 CD ARG A 24 27.257 30.645 20.134 1.00 23.62 C +ATOM 184 NE ARG A 24 26.034 31.422 20.318 1.00 28.73 N +ATOM 185 CZ ARG A 24 26.001 32.685 20.730 1.00 30.07 C +ATOM 186 NH1 ARG A 24 27.129 33.327 21.001 1.00 32.52 N +ATOM 187 NH2 ARG A 24 24.838 33.309 20.868 1.00 30.88 N +ATOM 188 N THR A 25 23.907 29.319 16.217 1.00 16.50 N +ATOM 189 CA THR A 25 23.296 29.648 14.936 1.00 18.92 C +ATOM 190 C THR A 25 24.285 30.335 13.994 1.00 20.21 C +ATOM 191 O THR A 25 24.469 29.909 12.854 1.00 21.56 O +ATOM 192 CB THR A 25 22.083 30.579 15.125 1.00 18.95 C +ATOM 193 OG1 THR A 25 21.121 29.943 15.972 1.00 20.04 O +ATOM 194 CG2 THR A 25 21.440 30.897 13.785 1.00 20.04 C +ATOM 195 N ASN A 26 24.919 31.396 14.485 1.00 22.89 N +ATOM 196 CA ASN A 26 25.878 32.173 13.702 1.00 24.46 C +ATOM 197 C ASN A 26 27.198 31.441 13.497 1.00 25.78 C +ATOM 198 O ASN A 26 28.175 32.024 13.022 1.00 27.04 O +ATOM 199 CB ASN A 26 26.136 33.514 14.398 1.00 25.57 C +ATOM 200 CG ASN A 26 27.162 34.363 13.673 0.00 25.25 C +ATOM 201 OD1 ASN A 26 26.979 34.721 12.510 0.00 25.41 O +ATOM 202 ND2 ASN A 26 28.250 34.691 14.361 0.00 25.41 N +ATOM 203 N GLY A 27 27.221 30.159 13.838 1.00 24.69 N +ATOM 204 CA GLY A 27 28.440 29.392 13.695 1.00 25.43 C +ATOM 205 C GLY A 27 29.206 29.460 14.998 1.00 24.07 C +ATOM 206 O GLY A 27 28.879 30.261 15.875 1.00 25.42 O +ATOM 207 N GLY A 28 30.232 28.633 15.133 1.00 23.22 N +ATOM 208 CA GLY A 28 30.994 28.637 16.365 1.00 20.20 C +ATOM 209 C GLY A 28 30.327 27.715 17.362 1.00 18.89 C +ATOM 210 O GLY A 28 29.255 27.169 17.088 1.00 15.77 O +ATOM 211 N TYR A 29 30.949 27.544 18.523 1.00 17.40 N +ATOM 212 CA TYR A 29 30.403 26.656 19.539 1.00 15.66 C +ATOM 213 C TYR A 29 30.390 27.249 20.933 1.00 13.75 C +ATOM 214 O TYR A 29 31.022 28.269 21.206 1.00 14.33 O +ATOM 215 CB TYR A 29 31.205 25.355 19.588 1.00 16.74 C +ATOM 216 CG TYR A 29 31.349 24.671 18.257 1.00 18.10 C +ATOM 217 CD1 TYR A 29 32.275 25.124 17.318 1.00 20.25 C +ATOM 218 CD2 TYR A 29 30.546 23.585 17.922 1.00 17.82 C +ATOM 219 CE1 TYR A 29 32.397 24.510 16.079 1.00 22.43 C +ATOM 220 CE2 TYR A 29 30.661 22.965 16.681 1.00 21.92 C +ATOM 221 CZ TYR A 29 31.588 23.433 15.768 1.00 21.68 C +ATOM 222 OH TYR A 29 31.710 22.826 14.541 1.00 25.84 O +ATOM 223 N ASN A 30 29.652 26.584 21.810 1.00 11.22 N +ATOM 224 CA ASN A 30 29.560 26.972 23.204 1.00 10.44 C +ATOM 225 C ASN A 30 29.407 25.705 24.022 1.00 10.34 C +ATOM 226 O ASN A 30 28.685 24.788 23.634 1.00 10.28 O +ATOM 227 CB ASN A 30 28.357 27.873 23.467 1.00 11.86 C +ATOM 228 CG ASN A 30 28.220 28.223 24.936 1.00 11.87 C +ATOM 229 OD1 ASN A 30 29.103 28.854 25.514 1.00 15.38 O +ATOM 230 ND2 ASN A 30 27.121 27.804 25.549 1.00 12.74 N +ATOM 231 N THR A 31 30.098 25.650 25.151 1.00 10.79 N +ATOM 232 CA THR A 31 30.010 24.496 26.026 1.00 10.94 C +ATOM 233 C THR A 31 29.114 24.898 27.184 1.00 11.18 C +ATOM 234 O THR A 31 29.253 25.987 27.738 1.00 12.63 O +ATOM 235 CB THR A 31 31.400 24.087 26.543 1.00 10.32 C +ATOM 236 OG1 THR A 31 32.238 23.752 25.428 1.00 9.71 O +ATOM 237 CG2 THR A 31 31.293 22.879 27.466 1.00 10.67 C +ATOM 238 N SER A 32 28.172 24.033 27.533 1.00 9.67 N +ATOM 239 CA SER A 32 27.255 24.326 28.622 1.00 10.18 C +ATOM 240 C SER A 32 26.883 23.053 29.355 1.00 10.32 C +ATOM 241 O SER A 32 27.150 21.947 28.884 1.00 9.28 O +ATOM 242 CB SER A 32 25.988 25.007 28.090 1.00 10.72 C +ATOM 243 OG SER A 32 25.223 24.133 27.276 1.00 9.40 O +ATOM 244 N SER A 33 26.255 23.220 30.511 1.00 9.80 N +ATOM 245 CA SER A 33 25.842 22.093 31.325 1.00 10.89 C +ATOM 246 C SER A 33 24.401 22.254 31.771 1.00 10.34 C +ATOM 247 O SER A 33 23.851 23.357 31.775 1.00 10.62 O +ATOM 248 CB SER A 33 26.737 21.979 32.562 1.00 12.55 C +ATOM 249 OG SER A 33 28.094 21.786 32.208 1.00 16.24 O +ATOM 250 N ILE A 34 23.794 21.139 32.146 1.00 10.35 N +ATOM 251 CA ILE A 34 22.428 21.148 32.633 1.00 8.78 C +ATOM 252 C ILE A 34 22.285 20.043 33.671 1.00 10.07 C +ATOM 253 O ILE A 34 22.696 18.903 33.441 1.00 8.97 O +ATOM 254 CB ILE A 34 21.408 20.960 31.476 1.00 10.45 C +ATOM 255 CG1 ILE A 34 19.989 21.169 32.005 1.00 11.09 C +ATOM 256 CG2 ILE A 34 21.548 19.576 30.845 1.00 11.56 C +ATOM 257 CD1 ILE A 34 18.927 21.196 30.923 1.00 13.21 C +ATOM 258 N ASP A 35 21.740 20.400 34.830 1.00 9.38 N +ATOM 259 CA ASP A 35 21.537 19.449 35.914 1.00 10.66 C +ATOM 260 C ASP A 35 20.190 18.768 35.703 1.00 11.48 C +ATOM 261 O ASP A 35 19.137 19.399 35.811 1.00 12.53 O +ATOM 262 CB ASP A 35 21.553 20.171 37.260 1.00 10.60 C +ATOM 263 CG ASP A 35 21.675 19.215 38.424 1.00 12.85 C +ATOM 264 OD1 ASP A 35 21.170 18.080 38.311 1.00 10.93 O +ATOM 265 OD2 ASP A 35 22.264 19.600 39.455 1.00 17.21 O +ATOM 266 N LEU A 36 20.233 17.473 35.413 1.00 9.94 N +ATOM 267 CA LEU A 36 19.028 16.697 35.147 1.00 11.58 C +ATOM 268 C LEU A 36 18.243 16.267 36.379 1.00 12.07 C +ATOM 269 O LEU A 36 17.156 15.709 36.249 1.00 12.59 O +ATOM 270 CB LEU A 36 19.396 15.460 34.329 1.00 11.01 C +ATOM 271 CG LEU A 36 20.111 15.733 33.004 1.00 12.49 C +ATOM 272 CD1 LEU A 36 20.689 14.436 32.473 1.00 11.62 C +ATOM 273 CD2 LEU A 36 19.141 16.357 32.006 1.00 12.14 C +ATOM 274 N ASN A 37 18.787 16.518 37.567 1.00 11.63 N +ATOM 275 CA ASN A 37 18.112 16.136 38.807 1.00 12.99 C +ATOM 276 C ASN A 37 16.693 16.677 38.940 1.00 14.72 C +ATOM 277 O ASN A 37 15.830 16.010 39.504 1.00 16.50 O +ATOM 278 CB ASN A 37 18.917 16.592 40.031 1.00 14.23 C +ATOM 279 CG ASN A 37 19.695 15.461 40.678 1.00 14.59 C +ATOM 280 OD1 ASN A 37 19.323 14.290 40.569 1.00 15.34 O +ATOM 281 ND2 ASN A 37 20.770 15.809 41.380 1.00 15.95 N +ATOM 282 N SER A 38 16.447 17.877 38.425 1.00 15.72 N +ATOM 283 CA SER A 38 15.121 18.477 38.542 1.00 17.92 C +ATOM 284 C SER A 38 14.147 18.151 37.413 1.00 16.77 C +ATOM 285 O SER A 38 12.990 18.567 37.464 1.00 18.36 O +ATOM 286 CB SER A 38 15.240 19.999 38.679 1.00 19.05 C +ATOM 287 OG SER A 38 15.808 20.577 37.519 1.00 23.72 O +ATOM 288 N VAL A 39 14.595 17.407 36.405 1.00 15.31 N +ATOM 289 CA VAL A 39 13.712 17.066 35.293 1.00 13.83 C +ATOM 290 C VAL A 39 13.544 15.569 35.047 1.00 11.87 C +ATOM 291 O VAL A 39 12.704 15.162 34.247 1.00 11.40 O +ATOM 292 CB VAL A 39 14.173 17.733 33.976 1.00 14.61 C +ATOM 293 CG1 VAL A 39 14.020 19.245 34.080 1.00 15.41 C +ATOM 294 CG2 VAL A 39 15.611 17.361 33.678 1.00 15.93 C +ATOM 295 N ILE A 40 14.345 14.755 35.728 1.00 11.26 N +ATOM 296 CA ILE A 40 14.252 13.304 35.595 1.00 10.09 C +ATOM 297 C ILE A 40 14.073 12.692 36.979 1.00 10.82 C +ATOM 298 O ILE A 40 14.659 13.157 37.952 1.00 11.55 O +ATOM 299 CB ILE A 40 15.520 12.717 34.923 1.00 9.67 C +ATOM 300 CG1 ILE A 40 15.583 13.175 33.463 1.00 10.00 C +ATOM 301 CG2 ILE A 40 15.509 11.193 35.010 1.00 12.10 C +ATOM 302 CD1 ILE A 40 16.843 12.753 32.736 1.00 9.70 C +ATOM 303 N GLU A 41 13.251 11.653 37.069 1.00 10.43 N +ATOM 304 CA GLU A 41 13.021 11.011 38.350 1.00 11.17 C +ATOM 305 C GLU A 41 12.987 9.497 38.250 1.00 11.03 C +ATOM 306 O GLU A 41 12.733 8.932 37.184 1.00 10.97 O +ATOM 307 CB GLU A 41 11.715 11.518 38.969 1.00 17.12 C +ATOM 308 CG GLU A 41 10.490 11.303 38.107 1.00 20.21 C +ATOM 309 CD GLU A 41 9.221 11.807 38.768 1.00 25.11 C +ATOM 310 OE1 GLU A 41 9.157 13.008 39.104 1.00 27.04 O +ATOM 311 OE2 GLU A 41 8.288 10.999 38.953 1.00 29.45 O +ATOM 312 N ASN A 42 13.269 8.851 39.374 1.00 8.85 N +ATOM 313 CA ASN A 42 13.259 7.403 39.451 1.00 9.24 C +ATOM 314 C ASN A 42 11.898 6.924 39.941 1.00 10.42 C +ATOM 315 O ASN A 42 11.529 7.143 41.095 1.00 11.94 O +ATOM 316 CB ASN A 42 14.362 6.924 40.399 1.00 7.90 C +ATOM 317 CG ASN A 42 14.259 5.449 40.721 1.00 9.20 C +ATOM 318 OD1 ASN A 42 13.601 4.683 40.012 1.00 9.49 O +ATOM 319 ND2 ASN A 42 14.921 5.039 41.794 1.00 10.76 N +ATOM 320 N VAL A 43 11.154 6.280 39.050 1.00 10.22 N +ATOM 321 CA VAL A 43 9.842 5.749 39.389 1.00 10.83 C +ATOM 322 C VAL A 43 9.931 4.224 39.388 1.00 10.03 C +ATOM 323 O VAL A 43 9.947 3.593 38.333 1.00 11.04 O +ATOM 324 CB VAL A 43 8.772 6.197 38.369 1.00 11.12 C +ATOM 325 CG1 VAL A 43 7.420 5.613 38.747 1.00 14.81 C +ATOM 326 CG2 VAL A 43 8.697 7.718 38.324 1.00 13.37 C +ATOM 327 N ASP A 44 10.018 3.643 40.579 1.00 10.85 N +ATOM 328 CA ASP A 44 10.102 2.195 40.735 1.00 11.44 C +ATOM 329 C ASP A 44 11.202 1.556 39.886 1.00 11.04 C +ATOM 330 O ASP A 44 10.988 0.530 39.242 1.00 11.78 O +ATOM 331 CB ASP A 44 8.743 1.559 40.412 1.00 12.14 C +ATOM 332 CG ASP A 44 8.660 0.103 40.838 1.00 13.57 C +ATOM 333 OD1 ASP A 44 9.339 -0.271 41.818 1.00 14.70 O +ATOM 334 OD2 ASP A 44 7.900 -0.661 40.203 1.00 16.49 O +ATOM 335 N GLY A 45 12.378 2.181 39.880 1.00 9.12 N +ATOM 336 CA GLY A 45 13.505 1.638 39.144 1.00 9.07 C +ATOM 337 C GLY A 45 13.672 2.074 37.704 1.00 9.61 C +ATOM 338 O GLY A 45 14.639 1.681 37.048 1.00 12.13 O +ATOM 339 N SER A 46 12.743 2.884 37.210 1.00 9.25 N +ATOM 340 CA SER A 46 12.793 3.360 35.834 1.00 9.61 C +ATOM 341 C SER A 46 12.920 4.877 35.783 1.00 8.76 C +ATOM 342 O SER A 46 12.173 5.593 36.451 1.00 10.03 O +ATOM 343 CB SER A 46 11.525 2.929 35.094 1.00 10.86 C +ATOM 344 OG SER A 46 11.515 3.419 33.763 1.00 13.91 O +ATOM 345 N LEU A 47 13.874 5.367 34.998 1.00 8.50 N +ATOM 346 CA LEU A 47 14.057 6.807 34.862 1.00 7.67 C +ATOM 347 C LEU A 47 12.945 7.354 33.977 1.00 7.69 C +ATOM 348 O LEU A 47 12.725 6.868 32.865 1.00 10.37 O +ATOM 349 CB LEU A 47 15.422 7.126 34.245 1.00 8.20 C +ATOM 350 CG LEU A 47 16.648 6.822 35.113 1.00 9.31 C +ATOM 351 CD1 LEU A 47 17.905 7.022 34.288 1.00 12.81 C +ATOM 352 CD2 LEU A 47 16.663 7.714 36.349 1.00 11.44 C +ATOM 353 N LYS A 48 12.240 8.361 34.481 1.00 8.60 N +ATOM 354 CA LYS A 48 11.140 8.975 33.744 1.00 9.73 C +ATOM 355 C LYS A 48 11.300 10.486 33.735 1.00 9.74 C +ATOM 356 O LYS A 48 11.943 11.052 34.619 1.00 10.28 O +ATOM 357 CB LYS A 48 9.802 8.647 34.415 1.00 11.66 C +ATOM 358 CG LYS A 48 9.553 7.176 34.688 1.00 14.32 C +ATOM 359 CD LYS A 48 9.373 6.388 33.412 1.00 17.70 C +ATOM 360 CE LYS A 48 8.951 4.960 33.716 1.00 18.09 C +ATOM 361 NZ LYS A 48 8.816 4.142 32.483 1.00 20.68 N +ATOM 362 N TRP A 49 10.716 11.136 32.734 1.00 10.62 N +ATOM 363 CA TRP A 49 10.769 12.586 32.664 1.00 11.14 C +ATOM 364 C TRP A 49 9.811 13.124 33.715 1.00 13.45 C +ATOM 365 O TRP A 49 8.693 12.629 33.863 1.00 13.56 O +ATOM 366 CB TRP A 49 10.365 13.083 31.275 1.00 10.15 C +ATOM 367 CG TRP A 49 11.404 12.802 30.238 1.00 8.80 C +ATOM 368 CD1 TRP A 49 11.357 11.851 29.259 1.00 8.21 C +ATOM 369 CD2 TRP A 49 12.673 13.452 30.107 1.00 8.64 C +ATOM 370 NE1 TRP A 49 12.522 11.867 28.525 1.00 9.22 N +ATOM 371 CE2 TRP A 49 13.347 12.841 29.026 1.00 7.78 C +ATOM 372 CE3 TRP A 49 13.306 14.493 30.799 1.00 8.81 C +ATOM 373 CZ2 TRP A 49 14.625 13.236 28.621 1.00 9.17 C +ATOM 374 CZ3 TRP A 49 14.576 14.887 30.398 1.00 9.33 C +ATOM 375 CH2 TRP A 49 15.223 14.258 29.317 1.00 8.65 C +ATOM 376 N GLN A 50 10.269 14.130 34.446 1.00 16.61 N +ATOM 377 CA GLN A 50 9.490 14.747 35.507 1.00 21.46 C +ATOM 378 C GLN A 50 8.602 15.856 34.959 1.00 22.84 C +ATOM 379 O GLN A 50 9.055 16.694 34.182 1.00 23.23 O +ATOM 380 CB GLN A 50 10.440 15.327 36.555 1.00 24.75 C +ATOM 381 CG GLN A 50 9.791 15.663 37.879 1.00 29.05 C +ATOM 382 CD GLN A 50 10.759 16.306 38.854 1.00 28.89 C +ATOM 383 OE1 GLN A 50 11.123 17.473 38.709 1.00 31.54 O +ATOM 384 NE2 GLN A 50 11.186 15.544 39.851 1.00 31.91 N +ATOM 385 N PRO A 51 7.318 15.869 35.349 1.00 23.87 N +ATOM 386 CA PRO A 51 6.425 16.922 34.856 1.00 24.10 C +ATOM 387 C PRO A 51 6.895 18.267 35.401 1.00 24.75 C +ATOM 388 O PRO A 51 7.265 18.373 36.571 1.00 25.97 O +ATOM 389 CB PRO A 51 5.063 16.502 35.402 1.00 24.42 C +ATOM 390 CG PRO A 51 5.416 15.783 36.670 1.00 25.58 C +ATOM 391 CD PRO A 51 6.606 14.953 36.256 1.00 24.03 C +ATOM 392 N SER A 52 6.887 19.288 34.552 1.00 23.21 N +ATOM 393 CA SER A 52 7.335 20.617 34.951 1.00 23.39 C +ATOM 394 C SER A 52 6.264 21.407 35.691 1.00 22.23 C +ATOM 395 O SER A 52 6.512 22.527 36.142 1.00 23.33 O +ATOM 396 CB SER A 52 7.776 21.407 33.718 1.00 24.01 C +ATOM 397 OG SER A 52 6.685 21.598 32.833 1.00 26.21 O +ATOM 398 N ASN A 53 5.076 20.829 35.818 1.00 21.05 N +ATOM 399 CA ASN A 53 3.987 21.520 36.495 1.00 20.47 C +ATOM 400 C ASN A 53 2.816 20.588 36.763 1.00 19.41 C +ATOM 401 O ASN A 53 2.788 19.452 36.286 1.00 21.89 O +ATOM 402 CB ASN A 53 3.502 22.686 35.632 1.00 19.80 C +ATOM 403 CG ASN A 53 2.752 22.220 34.399 1.00 23.79 C +ATOM 404 OD1 ASN A 53 1.659 21.659 34.499 1.00 23.82 O +ATOM 405 ND2 ASN A 53 3.340 22.439 33.228 1.00 25.49 N +ATOM 406 N PHE A 54 1.860 21.081 37.545 1.00 17.08 N +ATOM 407 CA PHE A 54 0.653 20.332 37.863 1.00 13.48 C +ATOM 408 C PHE A 54 -0.552 21.209 37.528 1.00 13.53 C +ATOM 409 O PHE A 54 -1.690 20.743 37.514 1.00 14.07 O +ATOM 410 CB PHE A 54 0.637 19.912 39.345 1.00 13.50 C +ATOM 411 CG PHE A 54 0.525 21.055 40.320 1.00 14.49 C +ATOM 412 CD1 PHE A 54 -0.713 21.620 40.616 1.00 13.85 C +ATOM 413 CD2 PHE A 54 1.654 21.550 40.965 1.00 14.20 C +ATOM 414 CE1 PHE A 54 -0.824 22.660 41.541 1.00 17.05 C +ATOM 415 CE2 PHE A 54 1.553 22.589 41.891 1.00 14.09 C +ATOM 416 CZ PHE A 54 0.309 23.143 42.179 1.00 15.24 C +ATOM 417 N ILE A 55 -0.290 22.482 37.235 1.00 11.77 N +ATOM 418 CA ILE A 55 -1.357 23.421 36.893 1.00 13.68 C +ATOM 419 C ILE A 55 -1.908 23.195 35.487 1.00 13.20 C +ATOM 420 O ILE A 55 -2.927 23.776 35.115 1.00 14.08 O +ATOM 421 CB ILE A 55 -0.883 24.888 36.992 1.00 15.58 C +ATOM 422 CG1 ILE A 55 0.323 25.106 36.076 1.00 16.46 C +ATOM 423 CG2 ILE A 55 -0.550 25.231 38.433 1.00 20.33 C +ATOM 424 CD1 ILE A 55 0.742 26.553 35.940 1.00 19.63 C +ATOM 425 N GLU A 56 -1.231 22.363 34.701 1.00 11.45 N +ATOM 426 CA GLU A 56 -1.680 22.066 33.342 1.00 12.06 C +ATOM 427 C GLU A 56 -2.780 21.007 33.375 1.00 10.84 C +ATOM 428 O GLU A 56 -3.647 20.969 32.497 1.00 10.11 O +ATOM 429 CB GLU A 56 -0.502 21.566 32.493 1.00 13.79 C +ATOM 430 CG GLU A 56 -0.871 20.877 31.173 1.00 17.65 C +ATOM 431 CD GLU A 56 -1.454 21.811 30.121 1.00 19.53 C +ATOM 432 OE1 GLU A 56 -1.752 22.985 30.434 1.00 17.41 O +ATOM 433 OE2 GLU A 56 -1.619 21.356 28.966 1.00 19.65 O +ATOM 434 N THR A 57 -2.746 20.160 34.403 1.00 10.93 N +ATOM 435 CA THR A 57 -3.722 19.087 34.549 1.00 9.78 C +ATOM 436 C THR A 57 -4.603 19.193 35.791 1.00 9.49 C +ATOM 437 O THR A 57 -5.423 18.311 36.047 1.00 10.44 O +ATOM 438 CB THR A 57 -3.029 17.707 34.554 1.00 9.85 C +ATOM 439 OG1 THR A 57 -2.061 17.657 35.611 1.00 11.56 O +ATOM 440 CG2 THR A 57 -2.334 17.458 33.221 1.00 12.73 C +ATOM 441 N CYS A 58 -4.432 20.261 36.565 1.00 8.88 N +ATOM 442 CA CYS A 58 -5.255 20.468 37.755 1.00 9.43 C +ATOM 443 C CYS A 58 -5.859 21.861 37.665 1.00 9.94 C +ATOM 444 O CYS A 58 -5.279 22.762 37.062 1.00 11.74 O +ATOM 445 CB CYS A 58 -4.431 20.365 39.039 1.00 10.45 C +ATOM 446 SG CYS A 58 -3.542 18.803 39.345 1.00 10.10 S +ATOM 447 N ARG A 59 -7.023 22.033 38.276 1.00 10.48 N +ATOM 448 CA ARG A 59 -7.708 23.315 38.247 1.00 9.27 C +ATOM 449 C ARG A 59 -8.258 23.644 39.628 1.00 11.23 C +ATOM 450 O ARG A 59 -8.243 22.809 40.537 1.00 10.54 O +ATOM 451 CB ARG A 59 -8.861 23.253 37.246 1.00 10.03 C +ATOM 452 CG ARG A 59 -9.970 22.322 37.701 1.00 11.36 C +ATOM 453 CD ARG A 59 -11.012 22.069 36.628 1.00 13.58 C +ATOM 454 NE ARG A 59 -12.060 21.195 37.145 1.00 13.16 N +ATOM 455 CZ ARG A 59 -12.988 20.610 36.399 1.00 14.95 C +ATOM 456 NH1 ARG A 59 -13.007 20.800 35.087 1.00 17.05 N +ATOM 457 NH2 ARG A 59 -13.897 19.831 36.970 1.00 16.45 N +ATOM 458 N ASN A 60 -8.740 24.871 39.778 1.00 11.41 N +ATOM 459 CA ASN A 60 -9.328 25.322 41.031 1.00 12.05 C +ATOM 460 C ASN A 60 -8.443 25.051 42.246 1.00 10.15 C +ATOM 461 O ASN A 60 -8.881 24.452 43.229 1.00 11.51 O +ATOM 462 CB ASN A 60 -10.700 24.660 41.211 1.00 11.70 C +ATOM 463 CG ASN A 60 -11.479 25.227 42.381 1.00 15.09 C +ATOM 464 OD1 ASN A 60 -11.363 26.408 42.708 1.00 16.85 O +ATOM 465 ND2 ASN A 60 -12.298 24.389 43.007 1.00 16.32 N +ATOM 466 N THR A 61 -7.193 25.494 42.178 1.00 11.20 N +ATOM 467 CA THR A 61 -6.284 25.304 43.301 1.00 10.23 C +ATOM 468 C THR A 61 -6.711 26.274 44.394 1.00 11.02 C +ATOM 469 O THR A 61 -7.055 27.423 44.115 1.00 11.01 O +ATOM 470 CB THR A 61 -4.821 25.603 42.916 1.00 10.62 C +ATOM 471 OG1 THR A 61 -4.694 26.980 42.532 1.00 11.39 O +ATOM 472 CG2 THR A 61 -4.381 24.709 41.768 1.00 12.26 C +ATOM 473 N GLN A 62 -6.704 25.808 45.637 1.00 9.83 N +ATOM 474 CA GLN A 62 -7.101 26.653 46.756 1.00 11.89 C +ATOM 475 C GLN A 62 -6.338 26.272 48.011 1.00 11.16 C +ATOM 476 O GLN A 62 -5.877 25.139 48.145 1.00 9.58 O +ATOM 477 CB GLN A 62 -8.602 26.505 47.046 1.00 13.81 C +ATOM 478 CG GLN A 62 -9.522 26.699 45.852 1.00 19.41 C +ATOM 479 CD GLN A 62 -10.991 26.719 46.245 1.00 22.33 C +ATOM 480 OE1 GLN A 62 -11.875 26.604 45.396 1.00 28.20 O +ATOM 481 NE2 GLN A 62 -11.256 26.879 47.535 1.00 24.17 N +ATOM 482 N LEU A 63 -6.199 27.226 48.923 1.00 11.75 N +ATOM 483 CA LEU A 63 -5.545 26.965 50.195 1.00 14.11 C +ATOM 484 C LEU A 63 -6.671 26.604 51.153 1.00 15.47 C +ATOM 485 O LEU A 63 -7.526 27.440 51.457 1.00 18.05 O +ATOM 486 CB LEU A 63 -4.813 28.207 50.714 1.00 14.23 C +ATOM 487 CG LEU A 63 -4.210 28.047 52.114 1.00 16.01 C +ATOM 488 CD1 LEU A 63 -3.125 26.986 52.089 1.00 15.52 C +ATOM 489 CD2 LEU A 63 -3.640 29.373 52.590 1.00 18.76 C +ATOM 490 N ALA A 64 -6.680 25.355 51.607 1.00 15.05 N +ATOM 491 CA ALA A 64 -7.702 24.877 52.532 1.00 16.96 C +ATOM 492 C ALA A 64 -7.123 24.920 53.937 1.00 17.61 C +ATOM 493 O ALA A 64 -6.119 24.268 54.224 1.00 18.86 O +ATOM 494 CB ALA A 64 -8.109 23.456 52.172 1.00 17.71 C +ATOM 495 N GLY A 65 -7.755 25.693 54.810 1.00 19.10 N +ATOM 496 CA GLY A 65 -7.253 25.806 56.164 1.00 19.83 C +ATOM 497 C GLY A 65 -6.006 26.669 56.172 1.00 19.07 C +ATOM 498 O GLY A 65 -5.928 27.665 55.452 1.00 20.80 O +ATOM 499 N SER A 66 -5.016 26.282 56.967 1.00 18.20 N +ATOM 500 CA SER A 66 -3.788 27.058 57.060 1.00 16.33 C +ATOM 501 C SER A 66 -2.605 26.495 56.278 1.00 15.02 C +ATOM 502 O SER A 66 -1.604 27.187 56.101 1.00 15.06 O +ATOM 503 CB SER A 66 -3.386 27.214 58.528 1.00 18.56 C +ATOM 504 OG SER A 66 -3.233 25.947 59.145 1.00 18.68 O +ATOM 505 N SER A 67 -2.707 25.258 55.797 1.00 13.06 N +ATOM 506 CA SER A 67 -1.576 24.677 55.076 1.00 13.05 C +ATOM 507 C SER A 67 -1.895 23.640 54.007 1.00 12.45 C +ATOM 508 O SER A 67 -0.980 23.057 53.424 1.00 12.30 O +ATOM 509 CB SER A 67 -0.613 24.046 56.079 1.00 13.56 C +ATOM 510 OG SER A 67 -1.228 22.952 56.739 1.00 14.49 O +ATOM 511 N GLU A 68 -3.175 23.417 53.739 1.00 12.54 N +ATOM 512 CA GLU A 68 -3.581 22.415 52.764 1.00 13.65 C +ATOM 513 C GLU A 68 -3.783 22.963 51.354 1.00 11.89 C +ATOM 514 O GLU A 68 -4.491 23.946 51.163 1.00 12.88 O +ATOM 515 CB GLU A 68 -4.883 21.760 53.241 1.00 15.56 C +ATOM 516 CG GLU A 68 -5.183 20.392 52.666 1.00 21.28 C +ATOM 517 CD GLU A 68 -4.270 19.316 53.220 1.00 20.53 C +ATOM 518 OE1 GLU A 68 -3.951 19.364 54.426 1.00 24.08 O +ATOM 519 OE2 GLU A 68 -3.883 18.413 52.455 1.00 25.42 O +ATOM 520 N LEU A 69 -3.140 22.341 50.370 1.00 10.61 N +ATOM 521 CA LEU A 69 -3.327 22.739 48.981 1.00 9.65 C +ATOM 522 C LEU A 69 -4.392 21.795 48.436 1.00 9.83 C +ATOM 523 O LEU A 69 -4.206 20.579 48.436 1.00 10.61 O +ATOM 524 CB LEU A 69 -2.042 22.576 48.164 1.00 10.79 C +ATOM 525 CG LEU A 69 -2.225 22.641 46.638 1.00 10.65 C +ATOM 526 CD1 LEU A 69 -2.787 24.001 46.231 1.00 11.73 C +ATOM 527 CD2 LEU A 69 -0.890 22.386 45.946 1.00 12.40 C +ATOM 528 N ALA A 70 -5.508 22.356 47.983 1.00 9.49 N +ATOM 529 CA ALA A 70 -6.594 21.558 47.437 1.00 9.04 C +ATOM 530 C ALA A 70 -6.774 21.893 45.965 1.00 8.74 C +ATOM 531 O ALA A 70 -6.518 23.021 45.538 1.00 10.16 O +ATOM 532 CB ALA A 70 -7.885 21.840 48.198 1.00 10.00 C +ATOM 533 N ALA A 71 -7.205 20.907 45.189 1.00 8.16 N +ATOM 534 CA ALA A 71 -7.428 21.116 43.770 1.00 7.64 C +ATOM 535 C ALA A 71 -8.181 19.946 43.163 1.00 7.51 C +ATOM 536 O ALA A 71 -8.387 18.919 43.808 1.00 8.98 O +ATOM 537 CB ALA A 71 -6.093 21.304 43.051 1.00 10.13 C +ATOM 538 N GLU A 72 -8.604 20.130 41.920 1.00 8.17 N +ATOM 539 CA GLU A 72 -9.301 19.106 41.156 1.00 8.47 C +ATOM 540 C GLU A 72 -8.296 18.731 40.074 1.00 9.06 C +ATOM 541 O GLU A 72 -7.924 19.567 39.252 1.00 10.76 O +ATOM 542 CB GLU A 72 -10.573 19.689 40.533 1.00 10.49 C +ATOM 543 CG GLU A 72 -11.688 19.935 41.538 1.00 12.28 C +ATOM 544 CD GLU A 72 -12.642 21.038 41.103 1.00 14.80 C +ATOM 545 OE1 GLU A 72 -12.860 21.202 39.885 1.00 14.95 O +ATOM 546 OE2 GLU A 72 -13.185 21.736 41.984 1.00 16.43 O +ATOM 547 N CYS A 73 -7.837 17.485 40.090 1.00 8.71 N +ATOM 548 CA CYS A 73 -6.842 17.044 39.120 1.00 9.55 C +ATOM 549 C CYS A 73 -7.309 15.914 38.217 1.00 10.88 C +ATOM 550 O CYS A 73 -8.088 15.056 38.629 1.00 9.87 O +ATOM 551 CB CYS A 73 -5.580 16.586 39.840 1.00 10.18 C +ATOM 552 SG CYS A 73 -4.635 17.839 40.769 1.00 10.00 S +ATOM 553 N LYS A 74 -6.798 15.909 36.989 1.00 10.15 N +ATOM 554 CA LYS A 74 -7.138 14.883 36.010 1.00 12.48 C +ATOM 555 C LYS A 74 -6.418 13.564 36.269 1.00 12.03 C +ATOM 556 O LYS A 74 -5.231 13.542 36.591 1.00 13.11 O +ATOM 557 CB LYS A 74 -6.783 15.356 34.600 1.00 13.76 C +ATOM 558 CG LYS A 74 -7.692 16.433 34.047 1.00 19.34 C +ATOM 559 CD LYS A 74 -7.158 16.991 32.733 1.00 21.87 C +ATOM 560 CE LYS A 74 -6.982 15.903 31.687 1.00 24.57 C +ATOM 561 NZ LYS A 74 -6.420 16.452 30.422 1.00 25.10 N +ATOM 562 N THR A 75 -7.149 12.466 36.119 1.00 13.42 N +ATOM 563 CA THR A 75 -6.587 11.134 36.299 1.00 14.67 C +ATOM 564 C THR A 75 -6.048 10.690 34.943 1.00 16.18 C +ATOM 565 O THR A 75 -6.164 11.415 33.954 1.00 16.84 O +ATOM 566 CB THR A 75 -7.663 10.130 36.731 1.00 14.74 C +ATOM 567 OG1 THR A 75 -8.648 10.024 35.695 1.00 14.89 O +ATOM 568 CG2 THR A 75 -8.333 10.584 38.015 1.00 14.94 C +ATOM 569 N ARG A 76 -5.461 9.500 34.899 1.00 18.90 N +ATOM 570 CA ARG A 76 -4.930 8.965 33.650 1.00 22.48 C +ATOM 571 C ARG A 76 -6.087 8.814 32.665 1.00 22.67 C +ATOM 572 O ARG A 76 -5.902 8.910 31.450 1.00 23.69 O +ATOM 573 CB ARG A 76 -4.285 7.599 33.897 1.00 24.65 C +ATOM 574 CG ARG A 76 -3.139 7.611 34.895 1.00 28.79 C +ATOM 575 CD ARG A 76 -1.866 8.182 34.292 1.00 31.78 C +ATOM 576 NE ARG A 76 -0.767 8.223 35.257 1.00 34.97 N +ATOM 577 CZ ARG A 76 -0.319 7.169 35.934 1.00 35.72 C +ATOM 578 NH1 ARG A 76 -0.876 5.977 35.764 1.00 38.22 N +ATOM 579 NH2 ARG A 76 0.687 7.309 36.788 1.00 36.01 N +ATOM 580 N ALA A 77 -7.280 8.583 33.205 1.00 23.06 N +ATOM 581 CA ALA A 77 -8.484 8.406 32.401 1.00 23.26 C +ATOM 582 C ALA A 77 -9.075 9.734 31.936 1.00 23.55 C +ATOM 583 O ALA A 77 -10.157 9.768 31.349 1.00 24.11 O +ATOM 584 CB ALA A 77 -9.523 7.620 33.192 1.00 23.99 C +ATOM 585 N GLN A 78 -8.364 10.823 32.213 1.00 23.39 N +ATOM 586 CA GLN A 78 -8.785 12.162 31.808 1.00 23.64 C +ATOM 587 C GLN A 78 -10.022 12.702 32.523 1.00 22.43 C +ATOM 588 O GLN A 78 -10.741 13.538 31.978 1.00 23.91 O +ATOM 589 CB GLN A 78 -9.019 12.197 30.295 1.00 25.94 C +ATOM 590 CG GLN A 78 -7.828 11.715 29.484 1.00 29.32 C +ATOM 591 CD GLN A 78 -6.563 12.485 29.802 1.00 30.81 C +ATOM 592 OE1 GLN A 78 -6.493 13.697 29.600 1.00 34.45 O +ATOM 593 NE2 GLN A 78 -5.554 11.784 30.306 1.00 32.22 N +ATOM 594 N GLN A 79 -10.269 12.231 33.740 1.00 20.34 N +ATOM 595 CA GLN A 79 -11.415 12.697 34.512 1.00 18.80 C +ATOM 596 C GLN A 79 -10.906 13.436 35.744 1.00 16.08 C +ATOM 597 O GLN A 79 -9.888 13.055 36.317 1.00 15.12 O +ATOM 598 CB GLN A 79 -12.283 11.509 34.933 1.00 22.06 C +ATOM 599 CG GLN A 79 -12.811 10.700 33.759 1.00 26.33 C +ATOM 600 CD GLN A 79 -13.617 9.494 34.193 1.00 28.97 C +ATOM 601 OE1 GLN A 79 -13.127 8.637 34.928 1.00 31.02 O +ATOM 602 NE2 GLN A 79 -14.861 9.419 33.736 1.00 31.19 N +ATOM 603 N PHE A 80 -11.602 14.497 36.143 1.00 12.61 N +ATOM 604 CA PHE A 80 -11.190 15.269 37.313 1.00 12.54 C +ATOM 605 C PHE A 80 -11.699 14.689 38.626 1.00 12.52 C +ATOM 606 O PHE A 80 -12.871 14.328 38.748 1.00 14.06 O +ATOM 607 CB PHE A 80 -11.659 16.724 37.206 1.00 14.50 C +ATOM 608 CG PHE A 80 -10.825 17.569 36.289 1.00 15.83 C +ATOM 609 CD1 PHE A 80 -11.051 17.566 34.918 1.00 19.63 C +ATOM 610 CD2 PHE A 80 -9.817 18.380 36.801 1.00 16.82 C +ATOM 611 CE1 PHE A 80 -10.284 18.364 34.068 1.00 20.52 C +ATOM 612 CE2 PHE A 80 -9.045 19.180 35.962 1.00 17.53 C +ATOM 613 CZ PHE A 80 -9.280 19.173 34.593 1.00 19.58 C +ATOM 614 N VAL A 81 -10.802 14.598 39.603 1.00 11.05 N +ATOM 615 CA VAL A 81 -11.139 14.090 40.925 1.00 10.61 C +ATOM 616 C VAL A 81 -10.574 15.065 41.954 1.00 9.16 C +ATOM 617 O VAL A 81 -9.659 15.838 41.655 1.00 9.88 O +ATOM 618 CB VAL A 81 -10.548 12.678 41.168 1.00 10.68 C +ATOM 619 CG1 VAL A 81 -11.149 11.689 40.181 1.00 12.51 C +ATOM 620 CG2 VAL A 81 -9.037 12.709 41.031 1.00 11.26 C +ATOM 621 N ASER A 82 -11.124 15.030 43.163 0.50 9.30 N +ATOM 622 N BSER A 82 -11.126 15.032 43.163 0.50 9.12 N +ATOM 623 CA ASER A 82 -10.683 15.917 44.233 0.50 9.22 C +ATOM 624 CA BSER A 82 -10.676 15.914 44.233 0.50 8.90 C +ATOM 625 C ASER A 82 -9.432 15.374 44.918 0.50 8.84 C +ATOM 626 C BSER A 82 -9.420 15.369 44.900 0.50 8.64 C +ATOM 627 O ASER A 82 -9.333 14.180 45.194 0.50 9.16 O +ATOM 628 O BSER A 82 -9.306 14.170 45.146 0.50 9.02 O +ATOM 629 CB ASER A 82 -11.805 16.084 45.262 0.50 10.16 C +ATOM 630 CB BSER A 82 -11.775 16.077 45.288 0.50 9.55 C +ATOM 631 OG ASER A 82 -11.483 17.074 46.222 0.50 11.24 O +ATOM 632 OG BSER A 82 -12.938 16.671 44.737 0.50 9.75 O +ATOM 633 N THR A 83 -8.478 16.257 45.192 1.00 8.02 N +ATOM 634 CA THR A 83 -7.240 15.856 45.844 1.00 8.61 C +ATOM 635 C THR A 83 -6.687 16.994 46.692 1.00 8.48 C +ATOM 636 O THR A 83 -7.052 18.155 46.508 1.00 8.61 O +ATOM 637 CB THR A 83 -6.177 15.426 44.802 1.00 9.32 C +ATOM 638 OG1 THR A 83 -4.976 15.026 45.475 1.00 9.34 O +ATOM 639 CG2 THR A 83 -5.858 16.567 43.849 1.00 9.43 C +ATOM 640 N LYS A 84 -5.822 16.656 47.639 1.00 7.13 N +ATOM 641 CA LYS A 84 -5.212 17.667 48.483 1.00 8.67 C +ATOM 642 C LYS A 84 -3.880 17.156 48.998 1.00 8.65 C +ATOM 643 O LYS A 84 -3.615 15.951 48.987 1.00 9.50 O +ATOM 644 CB LYS A 84 -6.138 18.043 49.647 1.00 11.09 C +ATOM 645 CG LYS A 84 -6.419 16.929 50.636 1.00 12.21 C +ATOM 646 CD LYS A 84 -7.514 17.354 51.611 1.00 12.73 C +ATOM 647 CE LYS A 84 -7.796 16.290 52.656 1.00 14.48 C +ATOM 648 NZ LYS A 84 -6.653 16.099 53.589 1.00 17.33 N +ATOM 649 N ILE A 85 -3.040 18.086 49.432 1.00 8.84 N +ATOM 650 CA ILE A 85 -1.722 17.749 49.939 1.00 8.56 C +ATOM 651 C ILE A 85 -1.366 18.762 51.017 1.00 9.42 C +ATOM 652 O ILE A 85 -1.655 19.951 50.877 1.00 9.24 O +ATOM 653 CB ILE A 85 -0.691 17.771 48.781 1.00 9.04 C +ATOM 654 CG1 ILE A 85 0.672 17.289 49.275 1.00 7.72 C +ATOM 655 CG2 ILE A 85 -0.607 19.165 48.177 1.00 9.47 C +ATOM 656 CD1 ILE A 85 1.659 17.039 48.148 1.00 10.43 C +ATOM 657 N ASN A 86 -0.767 18.289 52.107 1.00 9.40 N +ATOM 658 CA ASN A 86 -0.399 19.172 53.209 1.00 9.09 C +ATOM 659 C ASN A 86 0.934 19.858 52.941 1.00 8.89 C +ATOM 660 O ASN A 86 1.990 19.222 52.977 1.00 8.95 O +ATOM 661 CB ASN A 86 -0.307 18.384 54.516 1.00 9.99 C +ATOM 662 CG ASN A 86 -0.300 19.284 55.737 1.00 11.08 C +ATOM 663 OD1 ASN A 86 0.027 20.467 55.650 1.00 10.15 O +ATOM 664 ND2 ASN A 86 -0.655 18.724 56.887 1.00 13.91 N +ATOM 665 N LEU A 87 0.886 21.159 52.682 1.00 7.91 N +ATOM 666 CA LEU A 87 2.100 21.908 52.402 1.00 7.53 C +ATOM 667 C LEU A 87 3.053 21.944 53.596 1.00 8.77 C +ATOM 668 O LEU A 87 4.246 22.179 53.426 1.00 8.88 O +ATOM 669 CB LEU A 87 1.747 23.325 51.933 1.00 8.76 C +ATOM 670 CG LEU A 87 0.934 23.373 50.627 1.00 6.40 C +ATOM 671 CD1 LEU A 87 0.668 24.821 50.249 1.00 10.32 C +ATOM 672 CD2 LEU A 87 1.674 22.656 49.503 1.00 8.00 C +ATOM 673 N ASP A 88 2.546 21.701 54.803 1.00 7.96 N +ATOM 674 CA ASP A 88 3.425 21.688 55.972 1.00 7.93 C +ATOM 675 C ASP A 88 4.408 20.515 55.904 1.00 9.09 C +ATOM 676 O ASP A 88 5.367 20.462 56.675 1.00 9.19 O +ATOM 677 CB ASP A 88 2.629 21.592 57.280 1.00 8.43 C +ATOM 678 CG ASP A 88 2.177 22.944 57.799 1.00 9.83 C +ATOM 679 OD1 ASP A 88 2.814 23.966 57.472 1.00 10.33 O +ATOM 680 OD2 ASP A 88 1.187 22.982 58.560 1.00 12.26 O +ATOM 681 N ASP A 89 4.172 19.575 54.991 1.00 8.82 N +ATOM 682 CA ASP A 89 5.067 18.427 54.844 1.00 9.06 C +ATOM 683 C ASP A 89 6.481 18.848 54.444 1.00 9.77 C +ATOM 684 O ASP A 89 7.466 18.307 54.953 1.00 10.08 O +ATOM 685 CB ASP A 89 4.580 17.464 53.756 1.00 9.83 C +ATOM 686 CG ASP A 89 3.308 16.733 54.118 1.00 11.44 C +ATOM 687 OD1 ASP A 89 2.853 16.806 55.280 1.00 12.05 O +ATOM 688 OD2 ASP A 89 2.772 16.062 53.206 1.00 12.12 O +ATOM 689 N HIS A 90 6.573 19.811 53.530 1.00 8.82 N +ATOM 690 CA HIS A 90 7.866 20.246 53.003 1.00 8.85 C +ATOM 691 C HIS A 90 8.125 21.747 52.883 1.00 8.94 C +ATOM 692 O HIS A 90 9.220 22.150 52.493 1.00 10.59 O +ATOM 693 CB HIS A 90 8.076 19.610 51.625 1.00 9.75 C +ATOM 694 CG HIS A 90 8.318 18.134 51.666 1.00 11.08 C +ATOM 695 ND1 HIS A 90 9.554 17.591 51.946 1.00 12.51 N +ATOM 696 CD2 HIS A 90 7.484 17.087 51.467 1.00 11.32 C +ATOM 697 CE1 HIS A 90 9.470 16.273 51.917 1.00 13.88 C +ATOM 698 NE2 HIS A 90 8.224 15.941 51.628 1.00 13.08 N +ATOM 699 N ILE A 91 7.137 22.581 53.187 1.00 7.32 N +ATOM 700 CA ILE A 91 7.351 24.019 53.093 1.00 7.39 C +ATOM 701 C ILE A 91 7.616 24.572 54.482 1.00 7.74 C +ATOM 702 O ILE A 91 6.772 24.482 55.382 1.00 9.04 O +ATOM 703 CB ILE A 91 6.140 24.737 52.467 1.00 6.96 C +ATOM 704 CG1 ILE A 91 5.803 24.108 51.110 1.00 8.22 C +ATOM 705 CG2 ILE A 91 6.455 26.217 52.300 1.00 8.16 C +ATOM 706 CD1 ILE A 91 6.956 24.091 50.125 1.00 9.60 C +ATOM 707 N ALA A 92 8.804 25.137 54.652 1.00 7.81 N +ATOM 708 CA ALA A 92 9.204 25.681 55.934 1.00 8.08 C +ATOM 709 C ALA A 92 9.406 27.185 55.916 1.00 7.99 C +ATOM 710 O ALA A 92 9.574 27.799 54.858 1.00 8.36 O +ATOM 711 CB ALA A 92 10.488 25.002 56.391 1.00 9.41 C +ATOM 712 N ASN A 93 9.373 27.770 57.109 1.00 7.70 N +ATOM 713 CA ASN A 93 9.611 29.191 57.281 1.00 8.58 C +ATOM 714 C ASN A 93 11.054 29.307 57.755 1.00 8.53 C +ATOM 715 O ASN A 93 11.359 29.033 58.917 1.00 8.76 O +ATOM 716 CB ASN A 93 8.673 29.788 58.336 1.00 9.25 C +ATOM 717 CG ASN A 93 9.101 31.176 58.771 1.00 9.37 C +ATOM 718 OD1 ASN A 93 9.860 31.846 58.073 1.00 10.72 O +ATOM 719 ND2 ASN A 93 8.608 31.619 59.922 1.00 8.64 N +ATOM 720 N ILE A 94 11.944 29.685 56.844 1.00 9.71 N +ATOM 721 CA ILE A 94 13.352 29.842 57.186 1.00 11.75 C +ATOM 722 C ILE A 94 13.617 31.331 57.380 1.00 11.59 C +ATOM 723 O ILE A 94 13.797 32.072 56.413 1.00 12.06 O +ATOM 724 CB ILE A 94 14.278 29.297 56.068 1.00 12.75 C +ATOM 725 CG1 ILE A 94 13.921 27.843 55.739 1.00 14.60 C +ATOM 726 CG2 ILE A 94 15.736 29.386 56.512 1.00 14.84 C +ATOM 727 CD1 ILE A 94 14.126 26.862 56.879 1.00 16.69 C +ATOM 728 N ASP A 95 13.613 31.754 58.640 1.00 11.43 N +ATOM 729 CA ASP A 95 13.846 33.141 59.022 1.00 12.58 C +ATOM 730 C ASP A 95 13.013 34.149 58.229 1.00 12.61 C +ATOM 731 O ASP A 95 13.526 35.168 57.757 1.00 13.57 O +ATOM 732 CB ASP A 95 15.340 33.469 58.911 1.00 12.48 C +ATOM 733 CG ASP A 95 15.690 34.823 59.505 1.00 16.30 C +ATOM 734 OD1 ASP A 95 15.033 35.238 60.483 1.00 16.57 O +ATOM 735 OD2 ASP A 95 16.636 35.468 59.002 1.00 19.49 O +ATOM 736 N GLY A 96 11.723 33.851 58.087 1.00 12.10 N +ATOM 737 CA GLY A 96 10.822 34.749 57.387 1.00 10.73 C +ATOM 738 C GLY A 96 10.584 34.498 55.910 1.00 10.79 C +ATOM 739 O GLY A 96 9.775 35.191 55.296 1.00 11.49 O +ATOM 740 N THR A 97 11.271 33.516 55.337 1.00 10.78 N +ATOM 741 CA THR A 97 11.113 33.207 53.919 1.00 10.56 C +ATOM 742 C THR A 97 10.660 31.766 53.701 1.00 9.66 C +ATOM 743 O THR A 97 11.193 30.836 54.312 1.00 8.74 O +ATOM 744 CB THR A 97 12.440 33.445 53.151 1.00 11.40 C +ATOM 745 OG1 THR A 97 12.753 34.843 53.167 1.00 12.80 O +ATOM 746 CG2 THR A 97 12.328 32.976 51.707 1.00 10.77 C +ATOM 747 N LEU A 98 9.669 31.586 52.832 1.00 9.17 N +ATOM 748 CA LEU A 98 9.160 30.252 52.532 1.00 8.03 C +ATOM 749 C LEU A 98 10.162 29.492 51.680 1.00 8.92 C +ATOM 750 O LEU A 98 10.592 29.977 50.633 1.00 9.40 O +ATOM 751 CB LEU A 98 7.836 30.335 51.769 1.00 9.25 C +ATOM 752 CG LEU A 98 6.639 30.937 52.501 1.00 9.04 C +ATOM 753 CD1 LEU A 98 5.478 31.085 51.529 1.00 9.11 C +ATOM 754 CD2 LEU A 98 6.250 30.048 53.674 1.00 8.84 C +ATOM 755 N LYS A 99 10.521 28.291 52.122 1.00 9.36 N +ATOM 756 CA LYS A 99 11.474 27.474 51.387 1.00 9.68 C +ATOM 757 C LYS A 99 11.101 26.003 51.423 1.00 9.35 C +ATOM 758 O LYS A 99 10.614 25.498 52.435 1.00 10.61 O +ATOM 759 CB LYS A 99 12.880 27.647 51.966 1.00 12.91 C +ATOM 760 CG LYS A 99 13.464 29.035 51.776 1.00 16.18 C +ATOM 761 CD LYS A 99 14.895 29.101 52.277 1.00 20.12 C +ATOM 762 CE LYS A 99 15.525 30.442 51.956 1.00 21.85 C +ATOM 763 NZ LYS A 99 15.562 30.695 50.488 1.00 24.60 N +ATOM 764 N TYR A 100 11.329 25.326 50.306 1.00 10.25 N +ATOM 765 CA TYR A 100 11.057 23.903 50.199 1.00 9.92 C +ATOM 766 C TYR A 100 12.239 23.132 50.780 1.00 11.06 C +ATOM 767 O TYR A 100 13.390 23.553 50.652 1.00 13.23 O +ATOM 768 CB TYR A 100 10.882 23.509 48.729 1.00 11.64 C +ATOM 769 CG TYR A 100 10.894 22.016 48.503 1.00 11.66 C +ATOM 770 CD1 TYR A 100 9.742 21.252 48.683 1.00 12.11 C +ATOM 771 CD2 TYR A 100 12.074 21.356 48.163 1.00 14.25 C +ATOM 772 CE1 TYR A 100 9.766 19.868 48.534 1.00 14.81 C +ATOM 773 CE2 TYR A 100 12.110 19.975 48.015 1.00 16.70 C +ATOM 774 CZ TYR A 100 10.954 19.237 48.203 1.00 15.06 C +ATOM 775 OH TYR A 100 10.994 17.868 48.078 1.00 21.65 O +ATOM 776 N GLU A 101 11.949 22.011 51.428 1.00 10.79 N +ATOM 777 CA GLU A 101 12.994 21.165 51.981 1.00 11.94 C +ATOM 778 C GLU A 101 12.486 19.730 52.036 1.00 14.28 C +ATOM 779 O GLU A 101 11.278 19.547 52.292 1.00 14.82 O +ATOM 780 CB GLU A 101 13.397 21.645 53.380 1.00 12.15 C +ATOM 781 CG GLU A 101 12.270 21.637 54.394 1.00 13.28 C +ATOM 782 CD GLU A 101 12.718 22.071 55.777 1.00 13.07 C +ATOM 783 OE1 GLU A 101 13.844 22.603 55.909 1.00 12.60 O +ATOM 784 OE2 GLU A 101 11.941 21.885 56.734 1.00 11.38 O +ATOM 785 OXT GLU A 101 13.303 18.809 51.827 1.00 16.60 O +TER 786 GLU A 101 +END diff --git a/bench/main_benchmark/structures/SFB_OL_CYSTC_3GAXA_1TIJA/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_CYSTC_3GAXA_1TIJA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..712c4a6ac302fe5fdc2b1314e8a914105d2c4540 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_CYSTC_3GAXA_1TIJA/state_a.pdb @@ -0,0 +1,939 @@ +ATOM 1 N GLY A 12 -19.929 19.123 56.429 1.00 17.00 N +ATOM 2 CA GLY A 12 -18.831 20.088 56.731 1.00 16.93 C +ATOM 3 C GLY A 12 -19.062 21.415 56.028 1.00 16.63 C +ATOM 4 O GLY A 12 -19.899 21.476 55.099 1.00 17.34 O +ATOM 5 N PRO A 13 -18.339 22.487 56.455 1.00 17.16 N +ATOM 6 CA PRO A 13 -18.485 23.805 55.816 1.00 16.33 C +ATOM 7 C PRO A 13 -17.885 23.833 54.421 1.00 16.08 C +ATOM 8 O PRO A 13 -16.884 23.160 54.167 1.00 16.93 O +ATOM 9 CB PRO A 13 -17.703 24.763 56.735 1.00 16.74 C +ATOM 10 CG PRO A 13 -17.348 23.945 57.969 1.00 17.46 C +ATOM 11 CD PRO A 13 -17.291 22.524 57.493 1.00 16.99 C +ATOM 12 N MET A 14 -18.505 24.591 53.527 1.00 14.45 N +ATOM 13 CA MET A 14 -18.048 24.706 52.150 1.00 13.15 C +ATOM 14 C MET A 14 -17.423 26.094 51.980 1.00 12.10 C +ATOM 15 O MET A 14 -17.747 27.011 52.715 1.00 9.01 O +ATOM 16 CB MET A 14 -19.212 24.486 51.178 1.00 14.08 C +ATOM 17 CG MET A 14 -20.370 25.484 51.279 0.70 15.26 C +ATOM 18 SD MET A 14 -21.840 24.922 50.387 0.70 20.54 S +ATOM 19 CE MET A 14 -23.069 25.959 51.173 0.70 17.85 C +ATOM 20 N ASP A 15 -16.503 26.244 51.032 1.00 10.67 N +ATOM 21 CA ASP A 15 -15.953 27.570 50.773 1.00 10.88 C +ATOM 22 C ASP A 15 -17.057 28.540 50.404 1.00 10.53 C +ATOM 23 O ASP A 15 -18.066 28.163 49.806 1.00 9.55 O +ATOM 24 CB ASP A 15 -14.863 27.531 49.699 1.00 12.30 C +ATOM 25 CG ASP A 15 -13.610 26.784 50.160 1.00 13.32 C +ATOM 26 OD1 ASP A 15 -13.374 26.662 51.389 1.00 19.50 O +ATOM 27 OD2 ASP A 15 -12.848 26.346 49.282 1.00 17.80 O +ATOM 28 N ALA A 16 -16.889 29.777 50.834 1.00 9.88 N +ATOM 29 CA ALA A 16 -17.796 30.850 50.488 1.00 10.34 C +ATOM 30 C ALA A 16 -16.947 32.112 50.262 1.00 13.03 C +ATOM 31 O ALA A 16 -15.704 32.079 50.340 1.00 11.92 O +ATOM 32 CB ALA A 16 -18.805 31.074 51.528 1.00 11.16 C +ATOM 33 N SER A 17 -17.607 33.170 49.838 1.00 15.13 N +ATOM 34 CA SER A 17 -16.888 34.405 49.570 1.00 16.65 C +ATOM 35 C SER A 17 -17.704 35.578 49.967 1.00 15.67 C +ATOM 36 O SER A 17 -18.932 35.516 50.112 1.00 11.53 O +ATOM 37 CB SER A 17 -16.433 34.491 48.122 1.00 17.43 C +ATOM 38 OG SER A 17 -17.452 34.866 47.150 1.00 17.38 O +ATOM 39 N VAL A 18 -16.988 36.680 50.090 1.00 15.04 N +ATOM 40 CA VAL A 18 -17.586 37.929 50.403 1.00 15.68 C +ATOM 41 C VAL A 18 -18.442 38.480 49.297 1.00 15.58 C +ATOM 42 O VAL A 18 -19.220 39.374 49.543 1.00 17.00 O +ATOM 43 CB VAL A 18 -16.490 38.956 50.859 1.00 17.03 C +ATOM 44 CG1 VAL A 18 -16.408 40.172 49.923 1.00 16.42 C +ATOM 45 CG2 VAL A 18 -16.750 39.341 52.279 1.00 18.46 C +ATOM 46 N GLU A 19 -18.359 37.942 48.082 1.00 10.74 N +ATOM 47 CA GLU A 19 -19.374 38.278 47.080 1.00 12.65 C +ATOM 48 C GLU A 19 -20.773 37.860 47.405 1.00 12.20 C +ATOM 49 O GLU A 19 -21.716 38.390 46.795 1.00 12.49 O +ATOM 50 CB GLU A 19 -19.083 37.638 45.744 1.00 12.23 C +ATOM 51 CG GLU A 19 -18.124 38.401 44.999 1.00 14.00 C +ATOM 52 CD GLU A 19 -18.064 37.959 43.593 1.00 15.74 C +ATOM 53 OE1 GLU A 19 -17.192 37.073 43.366 1.00 19.69 O +ATOM 54 OE2 GLU A 19 -18.886 38.466 42.738 1.00 12.97 O +ATOM 55 N GLU A 20 -20.894 36.869 48.283 1.00 10.04 N +ATOM 56 CA GLU A 20 -22.187 36.350 48.678 1.00 10.77 C +ATOM 57 C GLU A 20 -22.844 37.301 49.631 1.00 11.01 C +ATOM 58 O GLU A 20 -22.252 37.677 50.621 1.00 11.10 O +ATOM 59 CB GLU A 20 -22.076 34.999 49.373 1.00 11.90 C +ATOM 60 CG GLU A 20 -21.444 33.950 48.526 1.00 11.76 C +ATOM 61 CD GLU A 20 -21.415 32.580 49.162 1.00 15.63 C +ATOM 62 OE1 GLU A 20 -22.227 32.331 50.068 1.00 11.94 O +ATOM 63 OE2 GLU A 20 -20.571 31.753 48.740 1.00 16.74 O +ATOM 64 N GLU A 21 -24.076 37.662 49.343 1.00 11.10 N +ATOM 65 CA GLU A 21 -24.814 38.566 50.166 1.00 11.13 C +ATOM 66 C GLU A 21 -24.890 38.134 51.682 1.00 10.90 C +ATOM 67 O GLU A 21 -24.668 38.966 52.515 1.00 10.75 O +ATOM 68 CB GLU A 21 -26.188 38.828 49.627 1.00 13.09 C +ATOM 69 CG GLU A 21 -26.777 40.051 50.295 1.00 15.01 C +ATOM 70 CD GLU A 21 -27.837 39.706 51.306 0.70 16.92 C +ATOM 71 OE1 GLU A 21 -28.013 38.503 51.639 0.70 15.28 O +ATOM 72 OE2 GLU A 21 -28.483 40.653 51.769 0.70 16.28 O +ATOM 73 N GLY A 22 -25.137 36.846 51.948 1.00 11.18 N +ATOM 74 CA GLY A 22 -25.227 36.305 53.326 1.00 11.14 C +ATOM 75 C GLY A 22 -23.925 36.456 54.063 1.00 11.15 C +ATOM 76 O GLY A 22 -23.897 36.855 55.244 1.00 11.20 O +ATOM 77 N VAL A 23 -22.827 36.139 53.399 1.00 11.71 N +ATOM 78 CA VAL A 23 -21.519 36.402 53.961 1.00 10.76 C +ATOM 79 C VAL A 23 -21.247 37.857 54.366 1.00 10.02 C +ATOM 80 O VAL A 23 -20.792 38.079 55.514 1.00 7.83 O +ATOM 81 CB VAL A 23 -20.401 35.859 53.094 1.00 9.93 C +ATOM 82 CG1 VAL A 23 -19.028 36.253 53.625 1.00 11.96 C +ATOM 83 CG2 VAL A 23 -20.527 34.305 52.834 1.00 9.39 C +ATOM 84 N ARG A 24 -21.552 38.809 53.486 1.00 9.33 N +ATOM 85 CA ARG A 24 -21.395 40.236 53.759 1.00 8.80 C +ATOM 86 C ARG A 24 -22.269 40.589 54.974 1.00 8.49 C +ATOM 87 O ARG A 24 -21.787 41.266 55.886 1.00 8.54 O +ATOM 88 CB ARG A 24 -21.759 41.123 52.580 1.00 9.53 C +ATOM 89 CG ARG A 24 -20.948 40.823 51.298 1.00 10.86 C +ATOM 90 CD ARG A 24 -21.059 41.937 50.176 1.00 14.57 C +ATOM 91 NE ARG A 24 -22.416 42.163 49.702 0.70 10.82 N +ATOM 92 CZ ARG A 24 -22.985 41.461 48.740 0.70 10.48 C +ATOM 93 NH1 ARG A 24 -24.231 41.728 48.355 0.70 9.70 N +ATOM 94 NH2 ARG A 24 -22.304 40.495 48.153 0.70 10.91 N +ATOM 95 N ARG A 25 -23.491 40.052 55.041 1.00 7.77 N +ATOM 96 CA ARG A 25 -24.388 40.331 56.184 1.00 8.81 C +ATOM 97 C ARG A 25 -23.856 39.794 57.516 1.00 9.11 C +ATOM 98 O ARG A 25 -23.821 40.531 58.545 1.00 8.40 O +ATOM 99 CB ARG A 25 -25.831 39.919 55.937 1.00 8.76 C +ATOM 100 CG ARG A 25 -26.516 40.893 54.933 1.00 12.34 C +ATOM 101 CD ARG A 25 -28.040 40.912 54.973 1.00 16.45 C +ATOM 102 NE ARG A 25 -28.559 41.740 53.884 0.70 15.62 N +ATOM 103 CZ ARG A 25 -28.630 43.072 53.872 0.70 17.06 C +ATOM 104 NH1 ARG A 25 -28.218 43.795 54.911 0.70 19.09 N +ATOM 105 NH2 ARG A 25 -29.133 43.686 52.798 0.70 15.96 N +ATOM 106 N ALA A 26 -23.358 38.558 57.472 1.00 8.33 N +ATOM 107 CA ALA A 26 -22.769 37.920 58.655 1.00 9.00 C +ATOM 108 C ALA A 26 -21.539 38.658 59.092 1.00 8.64 C +ATOM 109 O ALA A 26 -21.345 38.869 60.296 1.00 11.30 O +ATOM 110 CB ALA A 26 -22.466 36.475 58.408 1.00 10.34 C +ATOM 111 N LEU A 27 -20.720 39.114 58.136 1.00 8.33 N +ATOM 112 CA LEU A 27 -19.529 39.912 58.405 1.00 9.85 C +ATOM 113 C LEU A 27 -19.823 41.254 59.139 1.00 10.43 C +ATOM 114 O LEU A 27 -19.238 41.505 60.216 1.00 10.33 O +ATOM 115 CB LEU A 27 -18.745 40.144 57.120 1.00 10.02 C +ATOM 116 CG LEU A 27 -17.544 41.080 57.278 1.00 11.34 C +ATOM 117 CD1 LEU A 27 -16.568 40.385 58.226 1.00 13.07 C +ATOM 118 CD2 LEU A 27 -16.913 41.416 55.932 1.00 13.76 C +ATOM 119 N ASP A 28 -20.785 41.986 58.611 1.00 11.09 N +ATOM 120 CA AASP A 28 -21.154 43.269 59.176 0.70 11.16 C +ATOM 121 CA BASP A 28 -21.257 43.272 59.140 0.30 10.99 C +ATOM 122 C ASP A 28 -21.768 43.055 60.557 1.00 10.34 C +ATOM 123 O ASP A 28 -21.427 43.773 61.475 1.00 10.65 O +ATOM 124 CB AASP A 28 -22.102 44.022 58.266 0.70 12.43 C +ATOM 125 CB BASP A 28 -22.393 43.798 58.245 0.30 11.57 C +ATOM 126 CG AASP A 28 -21.414 44.557 56.996 0.70 11.48 C +ATOM 127 CG BASP A 28 -22.877 45.211 58.630 0.30 12.12 C +ATOM 128 OD1AASP A 28 -20.159 44.607 56.948 0.70 14.24 O +ATOM 129 OD1BASP A 28 -22.102 46.028 59.174 0.30 12.73 O +ATOM 130 OD2AASP A 28 -22.148 44.958 56.056 0.70 17.07 O +ATOM 131 OD2BASP A 28 -24.054 45.517 58.344 0.30 14.35 O +ATOM 132 N PHE A 29 -22.593 42.048 60.718 1.00 9.59 N +ATOM 133 CA PHE A 29 -23.106 41.704 62.046 1.00 8.31 C +ATOM 134 C PHE A 29 -21.971 41.450 63.084 1.00 9.30 C +ATOM 135 O PHE A 29 -21.996 42.025 64.174 1.00 9.01 O +ATOM 136 CB PHE A 29 -23.996 40.482 61.953 1.00 9.68 C +ATOM 137 CG PHE A 29 -24.412 39.954 63.269 1.00 7.57 C +ATOM 138 CD1 PHE A 29 -25.387 40.575 64.014 1.00 10.66 C +ATOM 139 CD2 PHE A 29 -23.907 38.747 63.709 1.00 7.03 C +ATOM 140 CE1 PHE A 29 -25.790 40.008 65.229 1.00 11.32 C +ATOM 141 CE2 PHE A 29 -24.274 38.201 64.915 1.00 7.87 C +ATOM 142 CZ PHE A 29 -25.199 38.798 65.652 1.00 8.55 C +ATOM 143 N ALA A 30 -21.025 40.578 62.747 1.00 9.62 N +ATOM 144 CA ALA A 30 -19.938 40.159 63.621 1.00 10.79 C +ATOM 145 C ALA A 30 -19.073 41.307 63.981 1.00 9.93 C +ATOM 146 O ALA A 30 -18.689 41.431 65.157 1.00 11.76 O +ATOM 147 CB ALA A 30 -19.126 39.039 63.031 1.00 13.67 C +ATOM 148 N VAL A 31 -18.711 42.127 63.012 1.00 10.63 N +ATOM 149 CA VAL A 31 -17.889 43.307 63.302 1.00 9.98 C +ATOM 150 C VAL A 31 -18.695 44.292 64.195 1.00 9.67 C +ATOM 151 O VAL A 31 -18.151 44.888 65.121 1.00 10.23 O +ATOM 152 CB VAL A 31 -17.415 43.923 61.981 1.00 10.81 C +ATOM 153 CG1 VAL A 31 -16.605 45.217 62.219 1.00 10.32 C +ATOM 154 CG2 VAL A 31 -16.514 42.907 61.204 1.00 10.52 C +ATOM 155 N GLY A 32 -19.970 44.471 63.902 1.00 9.36 N +ATOM 156 CA GLY A 32 -20.874 45.236 64.745 1.00 9.79 C +ATOM 157 C GLY A 32 -20.832 44.791 66.193 1.00 10.00 C +ATOM 158 O GLY A 32 -20.709 45.637 67.107 1.00 10.04 O +ATOM 159 N GLU A 33 -20.971 43.491 66.408 1.00 10.76 N +ATOM 160 CA GLU A 33 -20.890 42.922 67.770 1.00 10.06 C +ATOM 161 C GLU A 33 -19.507 43.164 68.420 1.00 10.15 C +ATOM 162 O GLU A 33 -19.468 43.595 69.581 1.00 8.76 O +ATOM 163 CB GLU A 33 -21.218 41.428 67.722 1.00 10.50 C +ATOM 164 CG GLU A 33 -22.664 41.118 67.450 1.00 10.97 C +ATOM 165 CD GLU A 33 -23.644 41.860 68.329 1.00 15.59 C +ATOM 166 OE1 GLU A 33 -23.677 41.618 69.545 1.00 13.84 O +ATOM 167 OE2 GLU A 33 -24.478 42.613 67.774 1.00 19.50 O +ATOM 168 N TYR A 34 -18.440 42.910 67.654 1.00 10.47 N +ATOM 169 CA TYR A 34 -17.065 43.252 68.064 1.00 10.19 C +ATOM 170 C TYR A 34 -16.906 44.691 68.627 1.00 9.76 C +ATOM 171 O TYR A 34 -16.363 44.903 69.756 1.00 10.22 O +ATOM 172 CB TYR A 34 -16.060 42.954 66.958 1.00 12.38 C +ATOM 173 CG TYR A 34 -14.661 43.288 67.369 1.00 11.18 C +ATOM 174 CD1 TYR A 34 -14.154 44.597 67.236 1.00 13.13 C +ATOM 175 CD2 TYR A 34 -13.859 42.321 67.978 1.00 11.80 C +ATOM 176 CE1 TYR A 34 -12.861 44.899 67.687 1.00 14.39 C +ATOM 177 CE2 TYR A 34 -12.582 42.603 68.375 1.00 12.56 C +ATOM 178 CZ TYR A 34 -12.085 43.905 68.244 1.00 14.35 C +ATOM 179 OH TYR A 34 -10.833 44.214 68.689 1.00 14.42 O +ATOM 180 N ASN A 35 -17.413 45.659 67.873 1.00 8.19 N +ATOM 181 CA ASN A 35 -17.311 47.067 68.232 1.00 8.10 C +ATOM 182 C ASN A 35 -18.179 47.380 69.431 1.00 8.25 C +ATOM 183 O ASN A 35 -17.720 48.081 70.310 1.00 8.16 O +ATOM 184 CB ASN A 35 -17.659 47.890 67.018 1.00 8.98 C +ATOM 185 CG ASN A 35 -16.523 47.998 66.103 1.00 8.62 C +ATOM 186 OD1 ASN A 35 -15.451 48.531 66.495 1.00 10.01 O +ATOM 187 ND2 ASN A 35 -16.749 47.664 64.807 1.00 11.31 N +ATOM 188 N LYS A 36 -19.391 46.834 69.474 1.00 7.58 N +ATOM 189 CA LYS A 36 -20.271 47.012 70.637 1.00 9.86 C +ATOM 190 C LYS A 36 -19.592 46.513 71.937 1.00 9.17 C +ATOM 191 O LYS A 36 -19.608 47.215 72.976 1.00 11.15 O +ATOM 192 CB LYS A 36 -21.575 46.281 70.411 1.00 9.10 C +ATOM 193 CG LYS A 36 -22.575 46.419 71.472 1.00 14.45 C +ATOM 194 CD LYS A 36 -23.937 45.887 70.950 1.00 18.32 C +ATOM 195 CE LYS A 36 -24.970 45.831 71.953 0.00100.00 C +ATOM 196 NZ LYS A 36 -26.306 45.654 71.311 0.00100.00 N +ATOM 197 N ALA A 37 -19.015 45.317 71.881 1.00 9.60 N +ATOM 198 CA ALA A 37 -18.336 44.666 72.995 1.00 10.59 C +ATOM 199 C ALA A 37 -17.029 45.298 73.467 1.00 10.51 C +ATOM 200 O ALA A 37 -16.637 45.049 74.606 1.00 10.31 O +ATOM 201 CB ALA A 37 -18.103 43.185 72.699 1.00 9.63 C +ATOM 202 N SER A 38 -16.361 46.084 72.621 1.00 10.26 N +ATOM 203 CA SER A 38 -15.035 46.553 72.991 1.00 10.97 C +ATOM 204 C SER A 38 -15.124 47.807 73.828 1.00 10.27 C +ATOM 205 O SER A 38 -16.115 48.575 73.743 1.00 11.23 O +ATOM 206 CB SER A 38 -14.164 46.800 71.763 1.00 10.30 C +ATOM 207 OG SER A 38 -14.437 48.079 71.241 1.00 12.29 O +ATOM 208 N ASN A 39 -14.050 48.057 74.578 1.00 11.52 N +ATOM 209 CA ASN A 39 -13.929 49.257 75.424 1.00 11.55 C +ATOM 210 C ASN A 39 -13.230 50.365 74.659 1.00 10.54 C +ATOM 211 O ASN A 39 -12.967 51.404 75.197 1.00 9.35 O +ATOM 212 CB ASN A 39 -13.131 48.974 76.699 1.00 12.89 C +ATOM 213 CG ASN A 39 -13.668 47.784 77.480 1.00 17.23 C +ATOM 214 OD1 ASN A 39 -12.902 46.889 77.878 1.00 23.43 O +ATOM 215 ND2 ASN A 39 -14.988 47.747 77.670 1.00 18.39 N +ATOM 216 N ASP A 40 -12.879 50.097 73.393 1.00 8.20 N +ATOM 217 CA ASP A 40 -12.244 51.111 72.534 1.00 8.86 C +ATOM 218 C ASP A 40 -13.172 52.286 72.318 1.00 7.94 C +ATOM 219 O ASP A 40 -14.366 52.112 72.120 1.00 8.50 O +ATOM 220 CB ASP A 40 -11.895 50.450 71.186 1.00 8.97 C +ATOM 221 CG ASP A 40 -10.744 51.123 70.458 1.00 11.32 C +ATOM 222 OD1 ASP A 40 -10.608 52.385 70.492 1.00 8.03 O +ATOM 223 OD2 ASP A 40 -9.997 50.343 69.763 1.00 12.72 O +ATOM 224 N MET A 41 -12.620 53.495 72.333 1.00 8.88 N +ATOM 225 CA AMET A 41 -13.431 54.680 72.084 0.40 9.49 C +ATOM 226 CA BMET A 41 -13.385 54.698 72.069 0.60 9.77 C +ATOM 227 C MET A 41 -13.687 54.793 70.578 1.00 9.65 C +ATOM 228 O MET A 41 -14.641 55.466 70.162 1.00 10.88 O +ATOM 229 CB AMET A 41 -12.768 55.959 72.633 0.40 9.57 C +ATOM 230 CB BMET A 41 -12.592 55.936 72.496 0.60 10.14 C +ATOM 231 CG AMET A 41 -13.662 56.767 73.589 0.40 10.76 C +ATOM 232 CG BMET A 41 -13.433 56.995 73.107 0.60 12.79 C +ATOM 233 SD AMET A 41 -13.887 55.980 75.198 0.40 12.10 S +ATOM 234 SD BMET A 41 -12.592 58.567 73.119 0.60 16.17 S +ATOM 235 CE AMET A 41 -15.013 57.117 76.013 0.40 10.39 C +ATOM 236 CE BMET A 41 -13.041 59.264 71.531 0.60 12.84 C +ATOM 237 N TYR A 42 -12.836 54.119 69.793 1.00 9.64 N +ATOM 238 CA TYR A 42 -12.818 54.142 68.320 1.00 9.80 C +ATOM 239 C TYR A 42 -13.312 52.862 67.661 1.00 10.82 C +ATOM 240 O TYR A 42 -13.250 51.767 68.242 1.00 9.10 O +ATOM 241 CB TYR A 42 -11.382 54.380 67.879 1.00 10.54 C +ATOM 242 CG TYR A 42 -10.887 55.720 68.385 1.00 10.07 C +ATOM 243 CD1 TYR A 42 -11.020 56.857 67.596 1.00 12.84 C +ATOM 244 CD2 TYR A 42 -10.305 55.863 69.655 1.00 8.54 C +ATOM 245 CE1 TYR A 42 -10.609 58.111 68.040 1.00 12.11 C +ATOM 246 CE2 TYR A 42 -9.890 57.150 70.129 1.00 11.22 C +ATOM 247 CZ TYR A 42 -10.038 58.267 69.314 1.00 12.22 C +ATOM 248 OH TYR A 42 -9.595 59.516 69.760 1.00 9.68 O +ATOM 249 N AHIS A 43 -13.893 53.014 66.471 0.50 10.71 N +ATOM 250 N BHIS A 43 -13.690 53.034 66.412 0.50 9.85 N +ATOM 251 CA AHIS A 43 -14.411 51.896 65.691 0.50 10.75 C +ATOM 252 CA BHIS A 43 -14.256 52.024 65.588 0.50 9.18 C +ATOM 253 C AHIS A 43 -13.291 51.150 64.975 0.50 9.74 C +ATOM 254 C BHIS A 43 -13.171 51.135 64.995 0.50 8.84 C +ATOM 255 O AHIS A 43 -12.361 51.785 64.472 0.50 8.88 O +ATOM 256 O BHIS A 43 -12.117 51.656 64.601 0.50 8.17 O +ATOM 257 CB AHIS A 43 -15.412 52.388 64.638 0.50 11.81 C +ATOM 258 CB BHIS A 43 -14.957 52.739 64.445 0.50 9.11 C +ATOM 259 CG AHIS A 43 -16.837 52.128 65.003 0.50 13.34 C +ATOM 260 CG BHIS A 43 -15.770 51.827 63.605 0.50 7.49 C +ATOM 261 ND1AHIS A 43 -17.881 52.894 64.541 0.50 16.61 N +ATOM 262 ND1BHIS A 43 -16.752 51.020 64.136 0.50 8.13 N +ATOM 263 CD2AHIS A 43 -17.385 51.183 65.805 0.50 15.64 C +ATOM 264 CD2BHIS A 43 -15.706 51.533 62.284 0.50 5.33 C +ATOM 265 CE1AHIS A 43 -19.015 52.429 65.039 0.50 15.11 C +ATOM 266 CE1BHIS A 43 -17.289 50.299 63.167 0.50 9.72 C +ATOM 267 NE2AHIS A 43 -18.741 51.380 65.799 0.50 14.70 N +ATOM 268 NE2BHIS A 43 -16.673 50.591 62.038 0.50 10.00 N +ATOM 269 N SER A 44 -13.404 49.822 64.942 1.00 9.09 N +ATOM 270 CA SER A 44 -12.554 48.932 64.169 1.00 10.53 C +ATOM 271 C SER A 44 -13.317 48.351 62.958 1.00 10.72 C +ATOM 272 O SER A 44 -14.527 48.189 62.983 1.00 11.33 O +ATOM 273 CB SER A 44 -12.028 47.751 65.005 1.00 10.43 C +ATOM 274 OG SER A 44 -11.141 48.202 65.995 1.00 13.37 O +ATOM 275 N ARG A 45 -12.576 48.077 61.892 1.00 11.75 N +ATOM 276 CA ARG A 45 -13.171 47.511 60.665 1.00 11.95 C +ATOM 277 C ARG A 45 -12.276 46.428 60.116 1.00 10.30 C +ATOM 278 O ARG A 45 -11.057 46.382 60.396 1.00 10.07 O +ATOM 279 CB ARG A 45 -13.363 48.567 59.546 1.00 14.76 C +ATOM 280 CG ARG A 45 -14.031 49.829 59.937 1.00 16.89 C +ATOM 281 CD ARG A 45 -14.438 50.702 58.737 1.00 22.13 C +ATOM 282 NE ARG A 45 -13.374 51.443 58.032 0.80 21.22 N +ATOM 283 CZ ARG A 45 -12.753 51.046 56.913 0.80 21.47 C +ATOM 284 NH1 ARG A 45 -11.843 51.831 56.325 0.80 18.48 N +ATOM 285 NH2 ARG A 45 -13.013 49.848 56.410 0.80 24.74 N +ATOM 286 N ALA A 46 -12.890 45.542 59.309 1.00 8.87 N +ATOM 287 CA ALA A 46 -12.120 44.510 58.574 1.00 10.78 C +ATOM 288 C ALA A 46 -11.258 45.096 57.458 1.00 9.73 C +ATOM 289 O ALA A 46 -11.766 45.598 56.406 1.00 10.13 O +ATOM 290 CB ALA A 46 -13.044 43.423 58.030 1.00 10.56 C +ATOM 291 N ACYS A 47 -9.943 45.028 57.686 0.40 9.66 N +ATOM 292 N BCYS A 47 -9.928 45.071 57.610 0.60 9.50 N +ATOM 293 CA ACYS A 47 -8.921 45.419 56.737 0.40 9.67 C +ATOM 294 CA BCYS A 47 -9.031 45.461 56.526 0.60 10.48 C +ATOM 295 C ACYS A 47 -8.627 44.282 55.727 0.40 9.44 C +ATOM 296 C BCYS A 47 -8.783 44.280 55.599 0.60 9.49 C +ATOM 297 O ACYS A 47 -8.049 44.510 54.658 0.40 10.17 O +ATOM 298 O BCYS A 47 -8.376 44.465 54.460 0.60 10.57 O +ATOM 299 CB ACYS A 47 -7.641 45.879 57.486 0.40 9.76 C +ATOM 300 CB BCYS A 47 -7.681 45.990 57.035 0.60 10.06 C +ATOM 301 SG ACYS A 47 -7.267 45.035 59.095 0.40 7.11 S +ATOM 302 SG BCYS A 47 -6.679 44.698 57.835 0.60 12.18 S +ATOM 303 N GLN A 48 -9.029 43.063 56.090 1.00 9.58 N +ATOM 304 CA GLN A 48 -8.896 41.895 55.239 1.00 9.11 C +ATOM 305 C GLN A 48 -9.850 40.803 55.644 1.00 9.07 C +ATOM 306 O GLN A 48 -9.936 40.447 56.833 1.00 8.16 O +ATOM 307 CB GLN A 48 -7.490 41.355 55.284 1.00 9.71 C +ATOM 308 CG GLN A 48 -7.270 40.266 54.253 1.00 11.82 C +ATOM 309 CD GLN A 48 -5.858 39.749 54.255 1.00 14.63 C +ATOM 310 OE1 GLN A 48 -5.018 40.156 55.081 1.00 19.96 O +ATOM 311 NE2 GLN A 48 -5.568 38.864 53.322 1.00 14.35 N +ATOM 312 N VAL A 49 -10.574 40.229 54.688 1.00 9.26 N +ATOM 313 CA VAL A 49 -11.313 39.007 54.946 1.00 9.08 C +ATOM 314 C VAL A 49 -10.444 37.885 54.464 1.00 8.44 C +ATOM 315 O VAL A 49 -10.164 37.754 53.245 1.00 7.31 O +ATOM 316 CB VAL A 49 -12.648 38.912 54.194 1.00 11.05 C +ATOM 317 CG1 VAL A 49 -13.258 37.552 54.460 1.00 11.19 C +ATOM 318 CG2 VAL A 49 -13.597 40.093 54.549 1.00 12.52 C +ATOM 319 N VAL A 50 -9.971 37.070 55.371 1.00 7.45 N +ATOM 320 CA VAL A 50 -8.912 36.149 55.108 1.00 7.90 C +ATOM 321 C VAL A 50 -9.551 34.875 54.538 1.00 8.56 C +ATOM 322 O VAL A 50 -9.080 34.380 53.519 1.00 9.23 O +ATOM 323 CB VAL A 50 -7.988 35.896 56.360 1.00 7.25 C +ATOM 324 CG1 VAL A 50 -6.953 34.804 56.113 1.00 7.43 C +ATOM 325 CG2 VAL A 50 -7.295 37.171 56.796 1.00 8.21 C +ATOM 326 N ARG A 51 -10.649 34.431 55.160 1.00 8.90 N +ATOM 327 CA AARG A 51 -11.378 33.243 54.748 0.50 9.30 C +ATOM 328 CA BARG A 51 -11.369 33.233 54.756 0.50 9.20 C +ATOM 329 C ARG A 51 -12.856 33.354 55.081 1.00 9.16 C +ATOM 330 O ARG A 51 -13.235 33.898 56.134 1.00 9.43 O +ATOM 331 CB AARG A 51 -10.809 31.980 55.410 0.50 9.58 C +ATOM 332 CB BARG A 51 -10.769 31.991 55.442 0.50 9.41 C +ATOM 333 CG AARG A 51 -11.553 30.674 54.973 0.50 11.70 C +ATOM 334 CG BARG A 51 -11.242 30.607 54.863 0.50 11.16 C +ATOM 335 CD AARG A 51 -10.941 29.400 55.550 0.50 12.80 C +ATOM 336 CD BARG A 51 -10.286 29.481 55.269 0.50 12.33 C +ATOM 337 NE AARG A 51 -10.598 29.506 56.969 0.50 14.71 N +ATOM 338 NE BARG A 51 -10.761 28.101 55.075 0.50 12.49 N +ATOM 339 CZ AARG A 51 -10.312 28.476 57.763 0.50 16.41 C +ATOM 340 CZ BARG A 51 -10.257 27.063 55.746 0.50 13.76 C +ATOM 341 NH1AARG A 51 -10.012 28.690 59.039 0.50 17.32 N +ATOM 342 NH1BARG A 51 -10.699 25.834 55.552 0.50 13.57 N +ATOM 343 NH2AARG A 51 -10.342 27.236 57.292 0.50 17.32 N +ATOM 344 NH2BARG A 51 -9.287 27.272 56.630 0.50 15.35 N +ATOM 345 N ALA A 52 -13.694 32.829 54.170 1.00 8.90 N +ATOM 346 CA ALA A 52 -15.092 32.674 54.467 1.00 8.79 C +ATOM 347 C ALA A 52 -15.552 31.285 54.073 1.00 8.60 C +ATOM 348 O ALA A 52 -15.197 30.785 52.983 1.00 6.08 O +ATOM 349 CB ALA A 52 -15.891 33.717 53.792 1.00 9.99 C +ATOM 350 N ARG A 53 -16.293 30.661 54.992 1.00 8.57 N +ATOM 351 CA ARG A 53 -16.945 29.397 54.758 1.00 8.31 C +ATOM 352 C ARG A 53 -18.359 29.402 55.281 1.00 7.90 C +ATOM 353 O ARG A 53 -18.762 30.269 56.129 1.00 5.94 O +ATOM 354 CB ARG A 53 -16.196 28.286 55.467 1.00 8.55 C +ATOM 355 CG ARG A 53 -14.917 27.908 54.799 1.00 12.11 C +ATOM 356 CD ARG A 53 -14.065 27.017 55.703 1.00 15.14 C +ATOM 357 NE ARG A 53 -13.690 27.684 56.944 1.00 19.13 N +ATOM 358 CZ ARG A 53 -13.443 27.059 58.095 1.00 19.98 C +ATOM 359 NH1 ARG A 53 -13.521 25.742 58.176 1.00 21.11 N +ATOM 360 NH2 ARG A 53 -13.134 27.752 59.192 1.00 21.06 N +ATOM 361 N LYS A 54 -19.091 28.379 54.903 1.00 6.81 N +ATOM 362 CA LYS A 54 -20.441 28.226 55.394 1.00 7.69 C +ATOM 363 C LYS A 54 -20.957 26.821 55.313 1.00 8.10 C +ATOM 364 O LYS A 54 -20.512 26.019 54.487 1.00 8.82 O +ATOM 365 CB LYS A 54 -21.426 29.176 54.710 1.00 7.92 C +ATOM 366 CG LYS A 54 -21.778 28.835 53.230 1.00 11.37 C +ATOM 367 CD LYS A 54 -22.911 29.776 52.711 1.00 14.38 C +ATOM 368 CE LYS A 54 -23.490 29.330 51.360 1.00 16.56 C +ATOM 369 NZ LYS A 54 -24.303 30.345 50.552 1.00 14.17 N +ATOM 370 N GLN A 55 -21.951 26.569 56.154 1.00 9.13 N +ATOM 371 CA GLN A 55 -22.556 25.255 56.283 1.00 9.83 C +ATOM 372 C GLN A 55 -24.041 25.402 56.499 1.00 9.80 C +ATOM 373 O GLN A 55 -24.477 26.249 57.277 1.00 8.29 O +ATOM 374 CB GLN A 55 -21.990 24.553 57.499 1.00 9.94 C +ATOM 375 CG GLN A 55 -22.558 23.138 57.660 1.00 13.57 C +ATOM 376 CD GLN A 55 -21.683 22.317 58.553 1.00 14.65 C +ATOM 377 OE1 GLN A 55 -20.986 22.877 59.393 1.00 18.79 O +ATOM 378 NE2 GLN A 55 -21.710 20.985 58.383 1.00 16.12 N +ATOM 379 N ILE A 56 -24.793 24.555 55.832 1.00 10.68 N +ATOM 380 CA ILE A 56 -26.235 24.552 55.948 1.00 12.94 C +ATOM 381 C ILE A 56 -26.578 23.574 57.062 1.00 14.02 C +ATOM 382 O ILE A 56 -26.081 22.434 57.096 1.00 15.22 O +ATOM 383 CB ILE A 56 -26.955 24.110 54.656 1.00 14.23 C +ATOM 384 CG1 ILE A 56 -26.270 24.734 53.426 1.00 15.53 C +ATOM 385 CG2 ILE A 56 -28.434 24.422 54.782 1.00 11.85 C +ATOM 386 CD1 ILE A 56 -25.839 26.206 53.552 1.00 17.88 C +ATOM 387 N VAL A 57 -27.397 24.066 57.978 1.00 14.84 N +ATOM 388 CA VAL A 57 -27.935 23.304 59.089 1.00 15.12 C +ATOM 389 C VAL A 57 -29.445 23.601 59.053 1.00 15.43 C +ATOM 390 O VAL A 57 -30.035 23.733 57.953 1.00 17.22 O +ATOM 391 CB VAL A 57 -27.212 23.750 60.401 1.00 14.82 C +ATOM 392 CG1 VAL A 57 -25.855 23.091 60.495 1.00 16.22 C +ATOM 393 CG2 VAL A 57 -27.019 25.300 60.436 1.00 13.31 C +ATOM 394 N ALA A 58 -30.086 23.629 60.213 1.00 14.70 N +ATOM 395 CA ALA A 58 -31.354 24.325 60.413 1.00 13.78 C +ATOM 396 C ALA A 58 -31.134 25.827 60.368 1.00 12.47 C +ATOM 397 O ALA A 58 -31.260 26.511 61.395 1.00 13.67 O +ATOM 398 CB ALA A 58 -31.923 23.950 61.771 1.00 14.29 C +ATOM 399 N GLY A 59 -30.811 26.357 59.194 1.00 10.79 N +ATOM 400 CA GLY A 59 -30.275 27.722 59.113 1.00 9.38 C +ATOM 401 C GLY A 59 -28.933 27.632 58.445 1.00 7.41 C +ATOM 402 O GLY A 59 -28.642 26.627 57.793 1.00 8.26 O +ATOM 403 N VAL A 60 -28.107 28.662 58.606 1.00 5.61 N +ATOM 404 CA VAL A 60 -26.772 28.705 58.008 1.00 5.58 C +ATOM 405 C VAL A 60 -25.733 29.179 59.059 1.00 6.86 C +ATOM 406 O VAL A 60 -25.967 30.178 59.728 1.00 7.50 O +ATOM 407 CB VAL A 60 -26.746 29.631 56.763 1.00 6.60 C +ATOM 408 CG1 VAL A 60 -25.349 29.579 56.096 1.00 8.16 C +ATOM 409 CG2 VAL A 60 -27.910 29.286 55.757 1.00 8.50 C +ATOM 410 N ASN A 61 -24.647 28.429 59.209 1.00 5.47 N +ATOM 411 CA ASN A 61 -23.499 28.837 59.988 1.00 5.63 C +ATOM 412 C ASN A 61 -22.444 29.426 59.062 1.00 6.97 C +ATOM 413 O ASN A 61 -22.055 28.801 58.055 1.00 7.66 O +ATOM 414 CB ASN A 61 -22.893 27.684 60.754 1.00 5.45 C +ATOM 415 CG ASN A 61 -23.790 27.175 61.834 1.00 7.79 C +ATOM 416 OD1 ASN A 61 -24.219 27.928 62.713 1.00 8.91 O +ATOM 417 ND2 ASN A 61 -24.117 25.878 61.749 1.00 13.81 N +ATOM 418 N TYR A 62 -21.978 30.630 59.395 1.00 5.48 N +ATOM 419 CA TYR A 62 -20.875 31.246 58.723 1.00 6.57 C +ATOM 420 C TYR A 62 -19.634 31.226 59.576 1.00 6.70 C +ATOM 421 O TYR A 62 -19.708 31.463 60.791 1.00 6.50 O +ATOM 422 CB TYR A 62 -21.211 32.675 58.357 1.00 6.99 C +ATOM 423 CG TYR A 62 -22.308 32.803 57.415 1.00 6.62 C +ATOM 424 CD1 TYR A 62 -22.035 32.776 56.038 1.00 7.40 C +ATOM 425 CD2 TYR A 62 -23.628 32.975 57.813 1.00 10.08 C +ATOM 426 CE1 TYR A 62 -23.026 32.925 55.104 1.00 8.29 C +ATOM 427 CE2 TYR A 62 -24.616 33.133 56.863 1.00 10.70 C +ATOM 428 CZ TYR A 62 -24.310 33.098 55.513 1.00 10.50 C +ATOM 429 OH TYR A 62 -25.287 33.222 54.556 1.00 8.96 O +ATOM 430 N PHE A 63 -18.496 30.913 58.936 1.00 6.31 N +ATOM 431 CA PHE A 63 -17.208 30.873 59.586 1.00 6.60 C +ATOM 432 C PHE A 63 -16.312 31.862 58.879 1.00 6.45 C +ATOM 433 O PHE A 63 -16.003 31.675 57.657 1.00 7.32 O +ATOM 434 CB PHE A 63 -16.580 29.478 59.545 1.00 8.42 C +ATOM 435 CG PHE A 63 -17.496 28.415 60.049 1.00 7.22 C +ATOM 436 CD1 PHE A 63 -17.482 28.042 61.348 1.00 11.14 C +ATOM 437 CD2 PHE A 63 -18.451 27.875 59.225 1.00 9.76 C +ATOM 438 CE1 PHE A 63 -18.364 27.073 61.823 1.00 5.49 C +ATOM 439 CE2 PHE A 63 -19.312 26.875 59.714 1.00 11.53 C +ATOM 440 CZ PHE A 63 -19.264 26.515 61.011 1.00 12.51 C +ATOM 441 N LEU A 64 -15.926 32.924 59.579 1.00 7.74 N +ATOM 442 CA LEU A 64 -15.214 34.015 58.944 1.00 7.58 C +ATOM 443 C LEU A 64 -13.916 34.272 59.703 1.00 7.59 C +ATOM 444 O LEU A 64 -13.922 34.368 60.903 1.00 8.45 O +ATOM 445 CB LEU A 64 -16.055 35.287 58.954 1.00 7.11 C +ATOM 446 CG LEU A 64 -17.446 35.165 58.389 1.00 10.52 C +ATOM 447 CD1 LEU A 64 -18.101 36.509 58.421 1.00 13.83 C +ATOM 448 CD2 LEU A 64 -17.468 34.528 56.976 1.00 11.15 C +ATOM 449 N ASP A 65 -12.799 34.294 58.987 1.00 6.21 N +ATOM 450 CA ASP A 65 -11.490 34.743 59.482 1.00 5.79 C +ATOM 451 C ASP A 65 -11.199 36.086 58.914 1.00 6.47 C +ATOM 452 O ASP A 65 -11.223 36.265 57.695 1.00 6.32 O +ATOM 453 CB ASP A 65 -10.390 33.772 59.112 1.00 8.52 C +ATOM 454 CG ASP A 65 -10.664 32.358 59.626 1.00 12.59 C +ATOM 455 OD1 ASP A 65 -11.182 32.196 60.761 1.00 9.98 O +ATOM 456 OD2 ASP A 65 -10.397 31.402 58.865 1.00 17.33 O +ATOM 457 N VAL A 66 -11.024 37.067 59.793 1.00 7.20 N +ATOM 458 CA VAL A 66 -10.932 38.440 59.343 1.00 9.05 C +ATOM 459 C VAL A 66 -9.749 39.054 60.071 1.00 9.41 C +ATOM 460 O VAL A 66 -9.359 38.605 61.175 1.00 10.02 O +ATOM 461 CB VAL A 66 -12.238 39.215 59.580 1.00 9.34 C +ATOM 462 CG1 VAL A 66 -13.490 38.351 59.281 1.00 14.75 C +ATOM 463 CG2 VAL A 66 -12.333 39.664 60.981 1.00 14.86 C +ATOM 464 N GLU A 67 -9.146 40.049 59.466 1.00 7.74 N +ATOM 465 CA GLU A 67 -8.250 40.919 60.225 1.00 8.46 C +ATOM 466 C GLU A 67 -8.968 42.217 60.449 1.00 9.77 C +ATOM 467 O GLU A 67 -9.476 42.823 59.509 1.00 9.47 O +ATOM 468 CB GLU A 67 -6.938 41.151 59.523 1.00 9.32 C +ATOM 469 CG GLU A 67 -6.124 39.907 59.355 1.00 10.21 C +ATOM 470 CD GLU A 67 -4.919 40.092 58.483 1.00 12.51 C +ATOM 471 OE1 GLU A 67 -4.198 39.105 58.281 1.00 19.92 O +ATOM 472 OE2 GLU A 67 -4.658 41.190 57.947 1.00 14.46 O +ATOM 473 N LEU A 68 -8.981 42.656 61.705 1.00 9.50 N +ATOM 474 CA LEU A 68 -9.632 43.943 62.088 1.00 10.08 C +ATOM 475 C LEU A 68 -8.578 45.008 62.460 1.00 9.58 C +ATOM 476 O LEU A 68 -7.647 44.721 63.218 1.00 12.19 O +ATOM 477 CB LEU A 68 -10.485 43.735 63.306 1.00 10.79 C +ATOM 478 CG LEU A 68 -11.758 42.885 63.225 1.00 12.56 C +ATOM 479 CD1 LEU A 68 -12.448 42.968 64.617 1.00 18.53 C +ATOM 480 CD2 LEU A 68 -12.624 43.313 62.098 1.00 14.14 C +ATOM 481 N ACYS A 69 -8.786 46.234 61.988 0.40 8.70 N +ATOM 482 N BCYS A 69 -8.746 46.210 61.946 0.60 8.32 N +ATOM 483 CA ACYS A 69 -7.807 47.317 62.109 0.40 8.07 C +ATOM 484 CA BCYS A 69 -7.807 47.280 62.211 0.60 7.73 C +ATOM 485 C ACYS A 69 -8.468 48.595 62.616 0.40 7.60 C +ATOM 486 C BCYS A 69 -8.573 48.439 62.832 0.60 7.78 C +ATOM 487 O ACYS A 69 -9.490 49.036 62.058 0.40 5.46 O +ATOM 488 O BCYS A 69 -9.773 48.579 62.662 0.60 5.50 O +ATOM 489 CB ACYS A 69 -7.180 47.574 60.737 0.40 8.16 C +ATOM 490 CB BCYS A 69 -7.043 47.650 60.927 0.60 8.03 C +ATOM 491 SG ACYS A 69 -6.095 46.305 60.173 0.40 11.69 S +ATOM 492 SG BCYS A 69 -5.647 46.573 60.649 0.60 11.89 S +ATOM 493 N ARG A 70 -7.884 49.189 63.669 1.00 7.09 N +ATOM 494 CA ARG A 70 -8.490 50.356 64.276 1.00 7.67 C +ATOM 495 C ARG A 70 -8.456 51.518 63.294 1.00 7.67 C +ATOM 496 O ARG A 70 -7.466 51.719 62.515 1.00 6.35 O +ATOM 497 CB ARG A 70 -7.747 50.716 65.559 1.00 6.88 C +ATOM 498 CG ARG A 70 -7.735 49.620 66.626 1.00 7.99 C +ATOM 499 CD ARG A 70 -7.029 50.087 67.913 1.00 8.32 C +ATOM 500 NE ARG A 70 -7.753 51.179 68.574 1.00 11.47 N +ATOM 501 CZ ARG A 70 -7.376 52.460 68.613 1.00 9.29 C +ATOM 502 NH1 ARG A 70 -6.216 52.886 68.089 1.00 7.98 N +ATOM 503 NH2 ARG A 70 -8.173 53.340 69.192 1.00 12.15 N +ATOM 504 N THR A 71 -9.527 52.312 63.369 1.00 8.70 N +ATOM 505 CA THR A 71 -9.673 53.501 62.553 1.00 10.64 C +ATOM 506 C THR A 71 -9.549 54.746 63.426 1.00 9.45 C +ATOM 507 O THR A 71 -9.526 54.683 64.669 1.00 8.64 O +ATOM 508 CB THR A 71 -11.021 53.541 61.839 1.00 10.94 C +ATOM 509 OG1 THR A 71 -12.023 53.870 62.810 1.00 13.15 O +ATOM 510 CG2 THR A 71 -11.368 52.258 61.102 1.00 11.42 C +ATOM 511 N THR A 72 -9.539 55.919 62.786 1.00 10.00 N +ATOM 512 CA THR A 72 -9.324 57.156 63.526 1.00 10.82 C +ATOM 513 C THR A 72 -10.637 57.808 63.977 1.00 12.39 C +ATOM 514 O THR A 72 -10.616 58.912 64.507 1.00 12.22 O +ATOM 515 CB THR A 72 -8.618 58.177 62.627 1.00 12.01 C +ATOM 516 OG1 THR A 72 -9.447 58.313 61.474 1.00 12.45 O +ATOM 517 CG2 THR A 72 -7.182 57.703 62.265 1.00 9.84 C +ATOM 518 N ACYS A 73 -11.761 57.134 63.744 0.50 12.82 N +ATOM 519 N BCYS A 73 -11.770 57.150 63.752 0.50 14.02 N +ATOM 520 CA ACYS A 73 -13.051 57.631 64.190 0.50 12.64 C +ATOM 521 CA BCYS A 73 -13.042 57.720 64.161 0.50 14.86 C +ATOM 522 C ACYS A 73 -13.532 57.017 65.485 0.50 13.49 C +ATOM 523 C BCYS A 73 -13.639 57.033 65.401 0.50 14.80 C +ATOM 524 O ACYS A 73 -13.422 55.803 65.673 0.50 13.06 O +ATOM 525 O BCYS A 73 -13.687 55.798 65.483 0.50 14.25 O +ATOM 526 CB ACYS A 73 -14.107 57.278 63.190 0.50 12.03 C +ATOM 527 CB BCYS A 73 -14.032 57.643 63.017 0.50 15.44 C +ATOM 528 SG ACYS A 73 -14.003 58.228 61.712 0.50 10.00 S +ATOM 529 SG BCYS A 73 -14.778 56.066 62.806 0.50 18.49 S +ATOM 530 N THR A 74 -14.120 57.864 66.327 1.00 14.89 N +ATOM 531 CA THR A 74 -14.791 57.426 67.546 1.00 15.71 C +ATOM 532 C THR A 74 -16.062 56.674 67.181 1.00 17.09 C +ATOM 533 O THR A 74 -16.568 56.856 66.090 1.00 16.25 O +ATOM 534 CB THR A 74 -15.241 58.645 68.395 1.00 15.80 C +ATOM 535 OG1 THR A 74 -16.144 59.438 67.614 1.00 16.22 O +ATOM 536 CG2 THR A 74 -14.058 59.495 68.818 1.00 14.63 C +ATOM 537 N LYS A 75 -16.618 55.897 68.117 1.00 19.81 N +ATOM 538 CA LYS A 75 -17.818 55.080 67.811 1.00 21.57 C +ATOM 539 C LYS A 75 -19.095 55.906 67.680 1.00 23.15 C +ATOM 540 O LYS A 75 -20.066 55.462 67.063 1.00 23.61 O +ATOM 541 CB LYS A 75 -18.043 53.994 68.858 1.00 21.74 C +ATOM 542 CG LYS A 75 -16.928 52.993 68.958 1.00 24.70 C +ATOM 543 CD LYS A 75 -17.158 52.105 70.136 1.00 24.66 C +ATOM 544 CE LYS A 75 -16.243 50.898 70.137 1.00 22.93 C +ATOM 545 NZ LYS A 75 -16.461 50.355 71.529 1.00 26.00 N +ATOM 546 N THR A 76 -19.105 57.099 68.275 1.00 24.36 N +ATOM 547 CA THR A 76 -20.122 58.094 67.971 1.00 25.63 C +ATOM 548 C THR A 76 -19.731 58.794 66.644 1.00 26.93 C +ATOM 549 O THR A 76 -18.558 58.765 66.244 1.00 27.35 O +ATOM 550 CB THR A 76 -20.289 59.053 69.154 1.00 25.35 C +ATOM 551 OG1 THR A 76 -19.030 59.657 69.484 1.00 25.52 O +ATOM 552 CG2 THR A 76 -20.780 58.268 70.350 1.00 25.04 C +ATOM 553 N GLN A 77 -20.711 59.389 65.957 1.00 28.15 N +ATOM 554 CA GLN A 77 -20.562 59.829 64.547 1.00 29.10 C +ATOM 555 C GLN A 77 -20.835 58.651 63.597 1.00 29.27 C +ATOM 556 O GLN A 77 -20.089 57.658 63.579 1.00 29.54 O +ATOM 557 CB GLN A 77 -19.172 60.462 64.253 1.00 29.27 C +ATOM 558 CG GLN A 77 -18.098 59.517 63.643 1.00 30.22 C +ATOM 559 CD GLN A 77 -16.684 60.071 63.732 1.00 31.99 C +ATOM 560 OE1 GLN A 77 -16.015 59.935 64.755 1.00 33.74 O +ATOM 561 NE2 GLN A 77 -16.211 60.672 62.644 1.00 33.75 N +ATOM 562 N LEU A 80 -19.869 57.289 58.392 1.00 29.48 N +ATOM 563 CA LEU A 80 -19.960 55.948 57.829 1.00 29.55 C +ATOM 564 C LEU A 80 -18.753 55.102 58.222 1.00 29.37 C +ATOM 565 O LEU A 80 -18.228 55.228 59.329 1.00 29.82 O +ATOM 566 CB LEU A 80 -20.082 56.013 56.305 1.00 29.75 C +ATOM 567 CG LEU A 80 -20.417 57.382 55.709 0.00100.00 C +ATOM 568 CD1 LEU A 80 -19.228 58.323 55.824 0.00100.00 C +ATOM 569 CD2 LEU A 80 -20.858 57.243 54.260 0.00100.00 C +ATOM 570 N ASP A 81 -18.318 54.240 57.309 1.00 28.64 N +ATOM 571 CA ASP A 81 -17.142 53.349 57.565 1.00 27.47 C +ATOM 572 C ASP A 81 -16.055 53.521 56.487 1.00 25.94 C +ATOM 573 O ASP A 81 -15.310 52.564 56.142 1.00 26.43 O +ATOM 574 CB ASP A 81 -17.521 51.855 57.759 1.00 28.28 C +ATOM 575 CG ASP A 81 -17.480 51.400 59.237 0.70 29.05 C +ATOM 576 OD1 ASP A 81 -17.450 52.270 60.140 0.70 31.47 O +ATOM 577 OD2 ASP A 81 -17.451 50.165 59.498 0.70 28.52 O +ATOM 578 N AASN A 82 -15.896 54.767 56.063 0.50 23.88 N +ATOM 579 N BASN A 82 -16.035 54.742 55.941 0.50 25.52 N +ATOM 580 CA AASN A 82 -14.726 55.184 55.323 0.50 21.78 C +ATOM 581 CA BASN A 82 -14.914 55.313 55.202 0.50 24.54 C +ATOM 582 C AASN A 82 -13.662 55.741 56.273 0.50 19.40 C +ATOM 583 C BASN A 82 -13.843 55.760 56.197 0.50 23.43 C +ATOM 584 O AASN A 82 -12.620 56.216 55.821 0.50 19.05 O +ATOM 585 O BASN A 82 -12.734 56.159 55.818 0.50 23.46 O +ATOM 586 CB AASN A 82 -15.098 56.231 54.272 0.50 22.03 C +ATOM 587 CB BASN A 82 -15.389 56.542 54.431 0.50 24.80 C +ATOM 588 CG AASN A 82 -14.933 57.650 54.779 0.50 22.62 C +ATOM 589 CG BASN A 82 -15.821 57.694 55.354 0.50 25.04 C +ATOM 590 OD1AASN A 82 -14.164 58.434 54.224 0.50 22.46 O +ATOM 591 OD1BASN A 82 -15.799 58.865 54.954 0.50 25.67 O +ATOM 592 ND2AASN A 82 -15.657 57.987 55.840 0.50 23.10 N +ATOM 593 ND2BASN A 82 -16.204 57.368 56.588 0.50 25.25 N +ATOM 594 N ACYS A 83 -13.914 55.690 57.584 0.50 16.21 N +ATOM 595 N BCYS A 83 -14.219 55.732 57.473 0.50 21.52 N +ATOM 596 CA ACYS A 83 -12.948 56.208 58.513 0.50 13.73 C +ATOM 597 CA BCYS A 83 -13.279 55.841 58.559 0.50 19.90 C +ATOM 598 C ACYS A 83 -11.685 55.432 58.189 0.50 12.86 C +ATOM 599 C BCYS A 83 -12.025 55.068 58.179 0.50 18.34 C +ATOM 600 O ACYS A 83 -11.743 54.224 57.965 0.50 12.69 O +ATOM 601 O BCYS A 83 -12.040 53.841 58.158 0.50 18.01 O +ATOM 602 CB ACYS A 83 -13.401 55.963 59.952 0.50 12.74 C +ATOM 603 CB BCYS A 83 -13.900 55.250 59.830 0.50 20.13 C +ATOM 604 SG ACYS A 83 -14.868 56.901 60.467 0.50 7.90 S +ATOM 605 SG BCYS A 83 -15.732 55.283 59.869 0.50 19.13 S +ATOM 606 N APRO A 84 -10.541 56.123 58.133 0.50 12.26 N +ATOM 607 N BPRO A 84 -10.944 55.785 57.846 0.50 16.62 N +ATOM 608 CA APRO A 84 -9.344 55.481 57.610 0.50 12.21 C +ATOM 609 CA BPRO A 84 -9.689 55.141 57.442 0.50 15.77 C +ATOM 610 C APRO A 84 -8.726 54.542 58.618 0.50 12.17 C +ATOM 611 C BPRO A 84 -8.886 54.457 58.553 0.50 14.26 C +ATOM 612 O APRO A 84 -8.791 54.803 59.824 0.50 10.44 O +ATOM 613 O BPRO A 84 -8.965 54.819 59.731 0.50 12.87 O +ATOM 614 CB APRO A 84 -8.409 56.658 57.335 0.50 12.30 C +ATOM 615 CB BPRO A 84 -8.874 56.297 56.852 0.50 15.46 C +ATOM 616 CG APRO A 84 -8.806 57.688 58.290 0.50 11.13 C +ATOM 617 CG BPRO A 84 -9.484 57.524 57.409 0.50 15.94 C +ATOM 618 CD APRO A 84 -10.297 57.529 58.489 0.50 12.33 C +ATOM 619 CD BPRO A 84 -10.942 57.217 57.505 0.50 16.78 C +ATOM 620 N PHE A 85 -8.093 53.482 58.124 1.00 13.46 N +ATOM 621 CA PHE A 85 -7.250 52.708 58.980 1.00 13.84 C +ATOM 622 C PHE A 85 -6.042 53.528 59.385 1.00 13.38 C +ATOM 623 O PHE A 85 -5.441 54.222 58.530 1.00 13.36 O +ATOM 624 CB PHE A 85 -6.804 51.459 58.253 1.00 14.48 C +ATOM 625 CG PHE A 85 -7.943 50.534 57.906 1.00 12.75 C +ATOM 626 CD1 PHE A 85 -8.655 49.958 58.898 1.00 12.59 C +ATOM 627 CD2 PHE A 85 -8.292 50.270 56.575 1.00 11.97 C +ATOM 628 CE1 PHE A 85 -9.703 49.128 58.622 1.00 13.46 C +ATOM 629 CE2 PHE A 85 -9.339 49.408 56.270 1.00 9.96 C +ATOM 630 CZ PHE A 85 -10.027 48.826 57.338 1.00 9.62 C +ATOM 631 N HIS A 86 -5.682 53.388 60.657 1.00 13.65 N +ATOM 632 CA HIS A 86 -4.419 53.931 61.169 1.00 13.17 C +ATOM 633 C HIS A 86 -3.210 53.489 60.358 1.00 13.55 C +ATOM 634 O HIS A 86 -3.076 52.330 59.993 1.00 12.79 O +ATOM 635 CB HIS A 86 -4.200 53.542 62.617 1.00 13.74 C +ATOM 636 CG HIS A 86 -4.821 54.499 63.591 1.00 13.88 C +ATOM 637 ND1 HIS A 86 -4.311 55.765 63.836 1.00 18.43 N +ATOM 638 CD2 HIS A 86 -5.957 54.402 64.319 1.00 13.95 C +ATOM 639 CE1 HIS A 86 -5.066 56.367 64.741 1.00 19.03 C +ATOM 640 NE2 HIS A 86 -6.059 55.554 65.072 1.00 18.65 N +ATOM 641 N ASP A 87 -2.327 54.437 60.090 1.00 12.64 N +ATOM 642 CA ASP A 87 -1.040 54.143 59.510 1.00 12.83 C +ATOM 643 C ASP A 87 0.009 53.680 60.531 1.00 12.50 C +ATOM 644 O ASP A 87 0.860 52.855 60.207 1.00 13.37 O +ATOM 645 CB ASP A 87 -0.528 55.337 58.669 1.00 12.92 C +ATOM 646 CG ASP A 87 -0.411 56.644 59.494 1.00 14.49 C +ATOM 647 OD1 ASP A 87 -1.378 57.065 60.175 1.00 18.57 O +ATOM 648 OD2 ASP A 87 0.672 57.269 59.469 1.00 22.63 O +ATOM 649 N AGLN A 88 -0.008 54.221 61.747 0.50 13.19 N +ATOM 650 N BGLN A 88 -0.096 54.192 61.751 0.50 12.86 N +ATOM 651 CA AGLN A 88 0.943 53.762 62.774 0.50 13.49 C +ATOM 652 CA BGLN A 88 0.821 53.880 62.844 0.50 12.84 C +ATOM 653 C AGLN A 88 0.549 52.390 63.353 0.50 12.98 C +ATOM 654 C BGLN A 88 0.532 52.421 63.432 0.50 12.56 C +ATOM 655 O AGLN A 88 -0.551 52.204 63.883 0.50 13.56 O +ATOM 656 O BGLN A 88 -0.539 52.192 64.003 0.50 12.91 O +ATOM 657 CB AGLN A 88 1.070 54.769 63.922 0.50 12.94 C +ATOM 658 CB BGLN A 88 0.692 55.055 63.885 0.50 11.89 C +ATOM 659 CG AGLN A 88 2.030 55.936 63.674 0.50 13.88 C +ATOM 660 CG BGLN A 88 0.867 56.566 63.274 0.50 10.92 C +ATOM 661 CD AGLN A 88 3.507 55.649 64.011 0.50 16.41 C +ATOM 662 CD BGLN A 88 0.440 57.836 64.157 0.50 10.14 C +ATOM 663 OE1AGLN A 88 4.153 56.429 64.708 0.50 19.10 O +ATOM 664 OE1BGLN A 88 -0.753 58.201 64.300 0.50 6.52 O +ATOM 665 NE2AGLN A 88 4.047 54.570 63.478 0.50 17.81 N +ATOM 666 NE2BGLN A 88 1.449 58.557 64.661 0.50 7.01 N +ATOM 667 N PRO A 89 1.460 51.422 63.270 1.00 13.35 N +ATOM 668 CA PRO A 89 1.115 50.060 63.735 1.00 14.70 C +ATOM 669 C PRO A 89 0.633 49.997 65.188 1.00 15.40 C +ATOM 670 O PRO A 89 -0.355 49.282 65.520 1.00 15.18 O +ATOM 671 CB PRO A 89 2.409 49.242 63.539 1.00 14.69 C +ATOM 672 CG PRO A 89 3.382 50.114 62.921 1.00 15.82 C +ATOM 673 CD PRO A 89 2.808 51.473 62.680 1.00 13.60 C +ATOM 674 N AHIS A 90 1.287 50.709 66.089 0.70 16.13 N +ATOM 675 N BHIS A 90 1.295 50.817 66.020 0.30 15.13 N +ATOM 676 CA AHIS A 90 0.833 50.611 67.464 0.70 16.69 C +ATOM 677 CA BHIS A 90 0.967 51.014 67.444 0.30 14.99 C +ATOM 678 C AHIS A 90 -0.498 51.426 67.722 0.70 16.12 C +ATOM 679 C BHIS A 90 -0.465 51.470 67.701 0.30 15.13 C +ATOM 680 O AHIS A 90 -1.060 51.331 68.805 0.70 16.26 O +ATOM 681 O BHIS A 90 -1.019 51.232 68.773 0.30 15.33 O +ATOM 682 CB AHIS A 90 2.009 50.873 68.437 0.70 17.17 C +ATOM 683 CB BHIS A 90 1.952 52.014 68.081 0.30 14.46 C +ATOM 684 CG AHIS A 90 3.183 49.955 68.213 0.70 18.99 C +ATOM 685 CG BHIS A 90 1.497 53.450 68.087 0.30 12.86 C +ATOM 686 ND1AHIS A 90 4.424 50.410 67.814 0.70 23.26 N +ATOM 687 ND1BHIS A 90 1.905 54.377 67.148 0.30 10.40 N +ATOM 688 CD2AHIS A 90 3.277 48.602 68.261 0.70 22.09 C +ATOM 689 CD2BHIS A 90 0.738 54.133 68.975 0.30 11.68 C +ATOM 690 CE1AHIS A 90 5.241 49.379 67.664 0.70 24.57 C +ATOM 691 CE1BHIS A 90 1.384 55.557 67.434 0.30 9.61 C +ATOM 692 NE2AHIS A 90 4.569 48.269 67.928 0.70 22.69 N +ATOM 693 NE2BHIS A 90 0.684 55.440 68.551 0.30 10.40 N +ATOM 694 N LEU A 91 -1.055 52.109 66.701 1.00 15.25 N +ATOM 695 CA LEU A 91 -2.469 52.554 66.763 1.00 14.97 C +ATOM 696 C LEU A 91 -3.442 51.652 65.961 1.00 14.28 C +ATOM 697 O LEU A 91 -4.603 51.473 66.387 1.00 16.51 O +ATOM 698 CB LEU A 91 -2.632 53.984 66.294 1.00 14.70 C +ATOM 699 CG LEU A 91 -1.923 54.942 67.217 1.00 15.28 C +ATOM 700 CD1 LEU A 91 -2.267 56.335 66.823 1.00 19.13 C +ATOM 701 CD2 LEU A 91 -2.352 54.736 68.669 1.00 12.78 C +ATOM 702 N LYS A 92 -2.971 51.087 64.845 1.00 13.84 N +ATOM 703 CA LYS A 92 -3.744 50.191 64.070 1.00 13.91 C +ATOM 704 C LYS A 92 -4.131 48.942 64.881 1.00 13.20 C +ATOM 705 O LYS A 92 -5.263 48.450 64.764 1.00 14.46 O +ATOM 706 CB LYS A 92 -2.958 49.817 62.833 1.00 14.67 C +ATOM 707 CG LYS A 92 -3.705 48.974 61.919 1.00 16.03 C +ATOM 708 CD LYS A 92 -2.997 48.927 60.630 1.00 17.32 C +ATOM 709 CE LYS A 92 -1.906 47.924 60.543 0.70 14.85 C +ATOM 710 NZ LYS A 92 -1.313 47.940 59.134 0.70 14.33 N +ATOM 711 N ARG A 93 -3.136 48.395 65.586 1.00 12.81 N +ATOM 712 CA ARG A 93 -3.310 47.269 66.504 1.00 12.20 C +ATOM 713 C ARG A 93 -4.127 46.123 65.853 1.00 12.14 C +ATOM 714 O ARG A 93 -5.191 45.695 66.366 1.00 12.77 O +ATOM 715 CB ARG A 93 -3.901 47.786 67.809 1.00 12.75 C +ATOM 716 CG ARG A 93 -2.994 48.748 68.602 1.00 12.06 C +ATOM 717 CD ARG A 93 -3.702 49.281 69.851 1.00 14.43 C +ATOM 718 NE ARG A 93 -4.158 48.255 70.797 1.00 15.89 N +ATOM 719 CZ ARG A 93 -3.454 47.743 71.820 1.00 17.27 C +ATOM 720 NH1 ARG A 93 -2.219 48.125 72.081 1.00 14.91 N +ATOM 721 NH2 ARG A 93 -4.009 46.825 72.610 1.00 17.30 N +ATOM 722 N LYS A 94 -3.611 45.661 64.729 1.00 10.45 N +ATOM 723 CA LYS A 94 -4.278 44.660 63.858 1.00 10.73 C +ATOM 724 C LYS A 94 -4.563 43.443 64.704 1.00 11.51 C +ATOM 725 O LYS A 94 -3.704 42.985 65.465 1.00 11.12 O +ATOM 726 CB LYS A 94 -3.397 44.284 62.681 1.00 11.59 C +ATOM 727 CG LYS A 94 -4.066 43.361 61.692 1.00 14.82 C +ATOM 728 CD LYS A 94 -3.023 42.690 60.720 1.00 19.65 C +ATOM 729 CE LYS A 94 -2.730 43.429 59.487 1.00 25.32 C +ATOM 730 NZ LYS A 94 -1.537 42.788 58.794 1.00 22.71 N +ATOM 731 N ALA A 95 -5.789 42.967 64.615 1.00 11.81 N +ATOM 732 CA ALA A 95 -6.224 41.770 65.297 1.00 9.85 C +ATOM 733 C ALA A 95 -6.667 40.732 64.312 1.00 10.97 C +ATOM 734 O ALA A 95 -7.227 41.057 63.273 1.00 13.16 O +ATOM 735 CB ALA A 95 -7.399 42.090 66.255 1.00 10.84 C +ATOM 736 N PHE A 96 -6.396 39.474 64.608 1.00 12.05 N +ATOM 737 CA PHE A 96 -6.940 38.398 63.843 1.00 9.36 C +ATOM 738 C PHE A 96 -8.121 37.764 64.615 1.00 9.57 C +ATOM 739 O PHE A 96 -7.965 37.381 65.778 1.00 7.15 O +ATOM 740 CB PHE A 96 -5.899 37.341 63.533 1.00 9.26 C +ATOM 741 CG PHE A 96 -6.463 36.186 62.753 1.00 10.67 C +ATOM 742 CD1 PHE A 96 -6.677 36.263 61.381 1.00 14.74 C +ATOM 743 CD2 PHE A 96 -6.864 35.022 63.420 1.00 13.97 C +ATOM 744 CE1 PHE A 96 -7.215 35.174 60.715 1.00 20.09 C +ATOM 745 CE2 PHE A 96 -7.394 33.949 62.753 1.00 17.05 C +ATOM 746 CZ PHE A 96 -7.595 34.019 61.428 1.00 19.16 C +ATOM 747 N CYS A 97 -9.261 37.635 63.923 1.00 9.88 N +ATOM 748 CA CYS A 97 -10.487 37.205 64.526 1.00 8.93 C +ATOM 749 C CYS A 97 -11.122 36.077 63.708 1.00 9.66 C +ATOM 750 O CYS A 97 -11.100 36.133 62.474 1.00 8.97 O +ATOM 751 CB CYS A 97 -11.482 38.397 64.521 1.00 12.09 C +ATOM 752 SG CYS A 97 -11.203 39.753 65.626 1.00 14.32 S +ATOM 753 N SER A 98 -11.743 35.134 64.398 1.00 10.19 N +ATOM 754 CA SER A 98 -12.539 34.068 63.809 1.00 11.87 C +ATOM 755 C SER A 98 -13.941 34.224 64.391 1.00 11.71 C +ATOM 756 O SER A 98 -14.142 34.255 65.615 1.00 10.41 O +ATOM 757 CB SER A 98 -11.907 32.711 64.125 1.00 12.31 C +ATOM 758 OG SER A 98 -10.616 32.522 63.499 1.00 13.52 O +ATOM 759 N PHE A 99 -14.909 34.455 63.534 1.00 11.81 N +ATOM 760 CA PHE A 99 -16.290 34.592 63.971 1.00 11.19 C +ATOM 761 C PHE A 99 -17.095 33.373 63.457 1.00 11.31 C +ATOM 762 O PHE A 99 -16.861 32.863 62.367 1.00 11.77 O +ATOM 763 CB PHE A 99 -16.902 35.831 63.398 1.00 9.95 C +ATOM 764 CG PHE A 99 -16.186 37.088 63.684 1.00 8.88 C +ATOM 765 CD1 PHE A 99 -15.963 37.471 64.991 1.00 11.26 C +ATOM 766 CD2 PHE A 99 -15.748 37.949 62.663 1.00 8.55 C +ATOM 767 CE1 PHE A 99 -15.327 38.748 65.253 1.00 12.85 C +ATOM 768 CE2 PHE A 99 -15.145 39.135 62.914 1.00 11.89 C +ATOM 769 CZ PHE A 99 -14.906 39.537 64.186 1.00 15.08 C +ATOM 770 N GLN A 100 -18.048 32.929 64.249 1.00 11.62 N +ATOM 771 CA AGLN A 100 -19.051 31.977 63.795 0.50 11.35 C +ATOM 772 CA BGLN A 100 -19.047 31.955 63.788 0.50 11.24 C +ATOM 773 C GLN A 100 -20.406 32.616 63.989 1.00 11.31 C +ATOM 774 O GLN A 100 -20.764 32.994 65.170 1.00 11.58 O +ATOM 775 CB AGLN A 100 -19.000 30.686 64.609 0.50 11.45 C +ATOM 776 CB BGLN A 100 -18.941 30.601 64.551 0.50 11.29 C +ATOM 777 CG AGLN A 100 -19.871 29.645 64.022 0.50 11.86 C +ATOM 778 CG BGLN A 100 -17.522 29.965 64.467 0.50 11.08 C +ATOM 779 CD AGLN A 100 -20.055 28.434 64.922 0.50 11.54 C +ATOM 780 CD BGLN A 100 -17.365 28.597 65.192 0.50 12.49 C +ATOM 781 OE1AGLN A 100 -20.976 27.638 64.746 0.50 14.94 O +ATOM 782 OE1BGLN A 100 -18.316 28.021 65.669 0.50 10.43 O +ATOM 783 NE2AGLN A 100 -19.188 28.299 65.890 0.50 13.85 N +ATOM 784 NE2BGLN A 100 -16.144 28.100 65.250 0.50 12.55 N +ATOM 785 N ILE A 101 -21.153 32.743 62.885 1.00 10.57 N +ATOM 786 CA ILE A 101 -22.459 33.401 62.914 1.00 11.41 C +ATOM 787 C ILE A 101 -23.516 32.332 62.552 1.00 10.52 C +ATOM 788 O ILE A 101 -23.359 31.671 61.548 1.00 12.10 O +ATOM 789 CB ILE A 101 -22.554 34.523 61.873 1.00 10.46 C +ATOM 790 CG1 ILE A 101 -21.511 35.638 62.115 1.00 12.56 C +ATOM 791 CG2 ILE A 101 -24.016 35.067 61.869 1.00 9.83 C +ATOM 792 CD1 ILE A 101 -20.094 35.466 61.437 1.00 11.31 C +ATOM 793 N TYR A 102 -24.560 32.190 63.352 1.00 9.66 N +ATOM 794 CA TYR A 102 -25.669 31.300 63.009 1.00 10.83 C +ATOM 795 C TYR A 102 -26.823 32.154 62.561 1.00 11.01 C +ATOM 796 O TYR A 102 -27.346 32.968 63.334 1.00 10.15 O +ATOM 797 CB TYR A 102 -26.065 30.522 64.252 1.00 11.25 C +ATOM 798 CG TYR A 102 -27.321 29.713 64.100 1.00 11.73 C +ATOM 799 CD1 TYR A 102 -27.437 28.727 63.099 1.00 11.78 C +ATOM 800 CD2 TYR A 102 -28.435 29.970 64.897 1.00 11.06 C +ATOM 801 CE1 TYR A 102 -28.645 28.004 62.922 1.00 13.80 C +ATOM 802 CE2 TYR A 102 -29.629 29.181 64.767 1.00 15.84 C +ATOM 803 CZ TYR A 102 -29.695 28.215 63.783 1.00 15.37 C +ATOM 804 OH TYR A 102 -30.839 27.497 63.673 1.00 16.83 O +ATOM 805 N ALA A 103 -27.212 31.960 61.300 1.00 12.01 N +ATOM 806 CA ALA A 103 -28.248 32.719 60.717 1.00 11.49 C +ATOM 807 C ALA A 103 -29.398 31.785 60.402 1.00 12.11 C +ATOM 808 O ALA A 103 -29.163 30.678 59.878 1.00 11.58 O +ATOM 809 CB ALA A 103 -27.732 33.403 59.417 1.00 10.76 C +ATOM 810 N VAL A 104 -30.614 32.234 60.719 1.00 13.51 N +ATOM 811 CA VAL A 104 -31.847 31.654 60.120 1.00 12.83 C +ATOM 812 C VAL A 104 -32.548 32.800 59.356 1.00 12.44 C +ATOM 813 O VAL A 104 -33.488 33.459 59.849 1.00 10.85 O +ATOM 814 CB VAL A 104 -32.775 30.986 61.159 1.00 13.02 C +ATOM 815 CG1 VAL A 104 -33.908 30.135 60.467 1.00 12.46 C +ATOM 816 CG2 VAL A 104 -31.965 30.159 62.134 1.00 14.67 C +ATOM 817 N PRO A 105 -32.119 33.013 58.118 1.00 12.77 N +ATOM 818 CA PRO A 105 -32.579 34.160 57.355 1.00 12.90 C +ATOM 819 C PRO A 105 -34.091 34.164 57.124 1.00 12.54 C +ATOM 820 O PRO A 105 -34.661 35.229 57.030 1.00 12.72 O +ATOM 821 CB PRO A 105 -31.858 34.014 56.020 1.00 13.28 C +ATOM 822 CG PRO A 105 -30.804 33.033 56.228 1.00 14.87 C +ATOM 823 CD PRO A 105 -31.071 32.251 57.409 1.00 13.33 C +ATOM 824 N TRP A 106 -34.701 32.981 57.083 1.00 13.16 N +ATOM 825 CA TRP A 106 -36.155 32.859 56.831 1.00 12.66 C +ATOM 826 C TRP A 106 -36.982 33.080 58.095 1.00 13.42 C +ATOM 827 O TRP A 106 -38.200 33.197 58.027 1.00 13.05 O +ATOM 828 CB TRP A 106 -36.527 31.518 56.154 1.00 13.50 C +ATOM 829 CG TRP A 106 -35.816 30.342 56.666 1.00 10.64 C +ATOM 830 CD1 TRP A 106 -36.227 29.492 57.659 1.00 9.99 C +ATOM 831 CD2 TRP A 106 -34.515 29.870 56.251 1.00 7.98 C +ATOM 832 NE1 TRP A 106 -35.285 28.509 57.872 1.00 10.04 N +ATOM 833 CE2 TRP A 106 -34.219 28.722 57.031 1.00 9.23 C +ATOM 834 CE3 TRP A 106 -33.583 30.292 55.285 1.00 6.98 C +ATOM 835 CZ2 TRP A 106 -33.045 27.975 56.852 1.00 8.25 C +ATOM 836 CZ3 TRP A 106 -32.401 29.556 55.141 1.00 10.14 C +ATOM 837 CH2 TRP A 106 -32.145 28.419 55.918 1.00 9.27 C +ATOM 838 N GLN A 107 -36.302 33.121 59.244 1.00 14.26 N +ATOM 839 CA GLN A 107 -36.924 33.519 60.521 1.00 15.24 C +ATOM 840 C GLN A 107 -36.453 34.882 60.978 1.00 14.69 C +ATOM 841 O GLN A 107 -36.852 35.373 62.056 1.00 15.90 O +ATOM 842 CB GLN A 107 -36.700 32.449 61.597 1.00 15.38 C +ATOM 843 CG GLN A 107 -37.592 31.198 61.375 1.00 16.73 C +ATOM 844 CD GLN A 107 -39.104 31.545 61.247 1.00 17.72 C +ATOM 845 OE1 GLN A 107 -39.679 32.256 62.075 1.00 19.84 O +ATOM 846 NE2 GLN A 107 -39.720 31.083 60.175 1.00 18.81 N +ATOM 847 N GLY A 108 -35.615 35.512 60.169 1.00 14.72 N +ATOM 848 CA GLY A 108 -35.098 36.833 60.460 1.00 14.29 C +ATOM 849 C GLY A 108 -34.094 36.935 61.612 1.00 15.13 C +ATOM 850 O GLY A 108 -33.985 38.009 62.222 1.00 16.35 O +ATOM 851 N THR A 109 -33.352 35.863 61.889 1.00 13.69 N +ATOM 852 CA THR A 109 -32.412 35.838 63.029 1.00 13.99 C +ATOM 853 C THR A 109 -30.944 35.628 62.606 1.00 13.22 C +ATOM 854 O THR A 109 -30.650 35.084 61.531 1.00 13.37 O +ATOM 855 CB THR A 109 -32.853 34.818 64.105 1.00 12.78 C +ATOM 856 OG1 THR A 109 -32.698 33.461 63.638 1.00 13.56 O +ATOM 857 CG2 THR A 109 -34.302 35.091 64.570 1.00 15.00 C +ATOM 858 N MET A 110 -30.050 36.201 63.433 1.00 13.12 N +ATOM 859 CA MET A 110 -28.620 36.034 63.392 1.00 12.62 C +ATOM 860 C MET A 110 -28.091 36.166 64.822 1.00 10.11 C +ATOM 861 O MET A 110 -28.413 37.126 65.522 1.00 11.13 O +ATOM 862 CB MET A 110 -27.881 37.108 62.585 1.00 13.92 C +ATOM 863 CG MET A 110 -27.250 36.648 61.283 1.00 17.72 C +ATOM 864 SD MET A 110 -26.353 37.982 60.485 1.00 16.41 S +ATOM 865 CE MET A 110 -27.484 39.353 60.548 1.00 16.74 C +ATOM 866 N THR A 111 -27.207 35.260 65.164 1.00 9.28 N +ATOM 867 CA THR A 111 -26.599 35.226 66.467 1.00 9.69 C +ATOM 868 C THR A 111 -25.121 34.943 66.359 1.00 9.86 C +ATOM 869 O THR A 111 -24.643 34.197 65.496 1.00 11.34 O +ATOM 870 CB THR A 111 -27.376 34.279 67.415 1.00 9.76 C +ATOM 871 OG1 THR A 111 -27.190 32.913 67.036 1.00 10.44 O +ATOM 872 CG2 THR A 111 -28.841 34.687 67.506 1.00 11.91 C +ATOM 873 N LEU A 112 -24.359 35.571 67.259 1.00 10.62 N +ATOM 874 CA LEU A 112 -22.897 35.397 67.251 1.00 10.63 C +ATOM 875 C LEU A 112 -22.485 34.210 68.093 1.00 10.07 C +ATOM 876 O LEU A 112 -22.331 34.351 69.299 1.00 11.49 O +ATOM 877 CB LEU A 112 -22.160 36.684 67.735 1.00 11.46 C +ATOM 878 CG LEU A 112 -20.644 36.750 67.390 1.00 13.68 C +ATOM 879 CD1 LEU A 112 -20.245 36.361 65.991 1.00 14.23 C +ATOM 880 CD2 LEU A 112 -20.094 38.140 67.719 1.00 18.19 C +ATOM 881 N SER A 113 -22.316 33.062 67.472 1.00 10.17 N +ATOM 882 CA SER A 113 -22.034 31.840 68.172 1.00 10.63 C +ATOM 883 C SER A 113 -20.693 31.855 68.864 1.00 10.36 C +ATOM 884 O SER A 113 -20.552 31.311 69.964 1.00 9.31 O +ATOM 885 CB SER A 113 -22.018 30.682 67.183 1.00 11.56 C +ATOM 886 OG SER A 113 -23.302 30.476 66.616 1.00 13.72 O +ATOM 887 N LYS A 114 -19.717 32.413 68.167 1.00 11.01 N +ATOM 888 CA LYS A 114 -18.395 32.501 68.746 1.00 11.82 C +ATOM 889 C LYS A 114 -17.658 33.639 68.127 1.00 10.13 C +ATOM 890 O LYS A 114 -17.867 33.962 66.943 1.00 10.98 O +ATOM 891 CB LYS A 114 -17.653 31.180 68.468 1.00 12.40 C +ATOM 892 CG LYS A 114 -16.376 30.974 69.292 1.00 17.19 C +ATOM 893 CD LYS A 114 -15.795 29.591 68.940 1.00 18.11 C +ATOM 894 CE LYS A 114 -16.314 28.512 69.795 1.00 20.83 C +ATOM 895 NZ LYS A 114 -15.269 27.487 70.206 1.00 22.77 N +ATOM 896 N SER A 115 -16.794 34.268 68.929 1.00 11.26 N +ATOM 897 CA SER A 115 -15.952 35.348 68.442 1.00 11.69 C +ATOM 898 C SER A 115 -14.636 35.261 69.177 1.00 10.56 C +ATOM 899 O SER A 115 -14.634 35.409 70.412 1.00 12.56 O +ATOM 900 CB SER A 115 -16.636 36.669 68.684 1.00 11.88 C +ATOM 901 OG SER A 115 -15.818 37.771 68.361 1.00 16.05 O +ATOM 902 N THR A 116 -13.566 34.960 68.438 1.00 10.91 N +ATOM 903 CA THR A 116 -12.218 34.844 69.030 1.00 10.99 C +ATOM 904 C THR A 116 -11.227 35.744 68.323 1.00 9.46 C +ATOM 905 O THR A 116 -11.035 35.594 67.124 1.00 11.21 O +ATOM 906 CB THR A 116 -11.700 33.410 69.042 1.00 11.05 C +ATOM 907 OG1 THR A 116 -11.539 32.848 67.755 1.00 16.84 O +ATOM 908 CG2 THR A 116 -12.548 32.519 69.948 1.00 11.26 C +ATOM 909 N CYS A 117 -10.542 36.583 69.072 1.00 8.18 N +ATOM 910 CA CYS A 117 -9.723 37.677 68.511 1.00 9.22 C +ATOM 911 C CYS A 117 -8.460 37.788 69.328 1.00 9.78 C +ATOM 912 O CYS A 117 -8.501 37.749 70.562 1.00 9.09 O +ATOM 913 CB CYS A 117 -10.490 38.990 68.543 1.00 10.53 C +ATOM 914 SG CYS A 117 -11.939 39.081 67.487 1.00 13.92 S +ATOM 915 N GLN A 118 -7.328 38.026 68.638 1.00 9.28 N +ATOM 916 CA GLN A 118 -6.085 38.312 69.321 1.00 10.14 C +ATOM 917 C GLN A 118 -5.198 39.056 68.397 1.00 10.53 C +ATOM 918 O GLN A 118 -5.472 39.057 67.176 1.00 8.24 O +ATOM 919 CB GLN A 118 -5.399 37.034 69.832 1.00 11.10 C +ATOM 920 CG GLN A 118 -5.222 35.894 68.886 1.00 15.08 C +ATOM 921 CD GLN A 118 -4.583 34.697 69.631 0.70 14.08 C +ATOM 922 OE1 GLN A 118 -5.267 33.790 70.142 0.70 14.99 O +ATOM 923 NE2 GLN A 118 -3.294 34.727 69.728 0.70 8.65 N +ATOM 924 N ASP A 119 -4.176 39.721 68.926 1.00 10.77 N +ATOM 925 CA ASP A 119 -3.284 40.533 68.107 1.00 12.46 C +ATOM 926 C ASP A 119 -2.648 39.695 67.008 1.00 15.23 C +ATOM 927 O ASP A 119 -2.191 38.579 67.257 1.00 15.77 O +ATOM 928 CB ASP A 119 -2.199 41.178 68.972 1.00 13.44 C +ATOM 929 CG ASP A 119 -2.765 42.161 69.978 0.70 12.45 C +ATOM 930 OD1 ASP A 119 -3.356 41.712 70.983 0.70 17.05 O +ATOM 931 OD2 ASP A 119 -2.618 43.383 69.765 0.70 19.70 O +ATOM 932 N ALA A 120 -2.618 40.230 65.791 1.00 16.57 N +ATOM 933 CA ALA A 120 -2.040 39.486 64.666 1.00 18.20 C +ATOM 934 C ALA A 120 -0.526 39.516 64.798 1.00 19.06 C +ATOM 935 O ALA A 120 0.065 38.587 64.249 1.00 21.36 O +ATOM 936 CB ALA A 120 -2.465 40.060 63.273 1.00 17.80 C +ATOM 937 OXT ALA A 120 0.140 40.411 65.374 1.00 20.71 O +TER 938 ALA A 120 +END diff --git a/bench/main_benchmark/structures/SFB_OL_CYSTC_3GAXA_1TIJA/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_CYSTC_3GAXA_1TIJA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e6100b17a5eb38a88421b62ff02b65530b3b82a7 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_CYSTC_3GAXA_1TIJA/state_b.pdb @@ -0,0 +1,899 @@ +ATOM 1 N PRO A 7 110.919 66.201 129.122 1.00 95.15 N +ATOM 2 CA PRO A 7 110.736 67.299 128.149 1.00 95.15 C +ATOM 3 C PRO A 7 109.809 68.437 128.587 1.00 95.15 C +ATOM 4 O PRO A 7 109.125 68.362 129.624 1.00 95.15 O +ATOM 5 CB PRO A 7 110.247 66.659 126.860 1.00 75.34 C +ATOM 6 CG PRO A 7 111.030 65.353 126.922 1.00 75.34 C +ATOM 7 CD PRO A 7 110.959 64.916 128.399 1.00 75.34 C +ATOM 8 N ARG A 8 109.832 69.505 127.790 1.00 95.15 N +ATOM 9 CA ARG A 8 109.047 70.721 128.025 1.00 95.15 C +ATOM 10 C ARG A 8 108.555 71.218 126.659 1.00 95.15 C +ATOM 11 O ARG A 8 109.302 71.862 125.902 1.00 95.15 O +ATOM 12 CB ARG A 8 109.939 71.773 128.714 1.00 94.52 C +ATOM 13 CG ARG A 8 109.289 73.127 129.007 1.00 94.52 C +ATOM 14 CD ARG A 8 110.389 74.158 129.308 1.00 94.52 C +ATOM 15 NE ARG A 8 111.404 74.175 128.245 1.00 94.52 N +ATOM 16 CZ ARG A 8 112.614 74.722 128.343 1.00 94.52 C +ATOM 17 NH1 ARG A 8 113.001 75.324 129.462 1.00 94.52 N +ATOM 18 NH2 ARG A 8 113.449 74.634 127.318 1.00 94.52 N +ATOM 19 N LEU A 9 107.300 70.890 126.354 1.00 94.74 N +ATOM 20 CA LEU A 9 106.656 71.258 125.087 1.00 94.74 C +ATOM 21 C LEU A 9 107.096 72.635 124.590 1.00 94.74 C +ATOM 22 O LEU A 9 107.767 72.767 123.548 1.00 94.74 O +ATOM 23 CB LEU A 9 105.132 71.225 125.269 1.00 89.65 C +ATOM 24 CG LEU A 9 104.618 70.082 126.152 1.00 89.65 C +ATOM 25 CD1 LEU A 9 103.189 70.406 126.575 1.00 89.65 C +ATOM 26 CD2 LEU A 9 104.713 68.732 125.428 1.00 89.65 C +ATOM 27 N VAL A 10 106.705 73.649 125.359 1.00 95.15 N +ATOM 28 CA VAL A 10 107.037 75.035 125.052 1.00 95.15 C +ATOM 29 C VAL A 10 107.378 75.859 126.310 1.00 95.15 C +ATOM 30 O VAL A 10 106.543 76.056 127.220 1.00 95.15 O +ATOM 31 CB VAL A 10 105.881 75.741 124.254 1.00 81.32 C +ATOM 32 CG1 VAL A 10 104.577 75.771 125.103 1.00 81.32 C +ATOM 33 CG2 VAL A 10 106.328 77.157 123.826 1.00 81.32 C +ATOM 34 N GLY A 11 108.627 76.314 126.354 1.00 95.15 N +ATOM 35 CA GLY A 11 109.085 77.130 127.457 1.00 95.15 C +ATOM 36 C GLY A 11 109.983 78.197 126.864 1.00 95.15 C +ATOM 37 O GLY A 11 110.269 78.182 125.660 1.00 95.15 O +ATOM 38 N GLY A 12 110.400 79.144 127.694 1.00 72.78 N +ATOM 39 CA GLY A 12 111.299 80.176 127.225 1.00 72.78 C +ATOM 40 C GLY A 12 112.696 79.570 127.227 1.00 72.78 C +ATOM 41 O GLY A 12 112.877 78.393 127.569 1.00 72.78 O +ATOM 42 N PRO A 13 113.710 80.346 126.839 1.00 52.00 N +ATOM 43 CA PRO A 13 115.066 79.806 126.826 1.00 52.00 C +ATOM 44 C PRO A 13 115.709 80.117 128.164 1.00 52.00 C +ATOM 45 O PRO A 13 115.573 81.235 128.667 1.00 52.00 O +ATOM 46 CB PRO A 13 115.733 80.580 125.693 1.00 38.76 C +ATOM 47 CG PRO A 13 114.561 81.304 124.966 1.00 38.76 C +ATOM 48 CD PRO A 13 113.648 81.610 126.091 1.00 38.76 C +ATOM 49 N MET A 14 116.396 79.141 128.748 1.00 57.15 N +ATOM 50 CA MET A 14 117.065 79.365 130.026 1.00 57.15 C +ATOM 51 C MET A 14 118.578 79.292 129.866 1.00 57.15 C +ATOM 52 O MET A 14 119.080 78.811 128.846 1.00 57.15 O +ATOM 53 CB MET A 14 116.605 78.337 131.040 1.00 51.59 C +ATOM 54 CG MET A 14 116.502 76.985 130.450 1.00 51.59 C +ATOM 55 SD MET A 14 116.125 75.769 131.684 1.00 51.59 S +ATOM 56 CE MET A 14 116.936 74.348 130.979 1.00 51.59 C +ATOM 57 N ASP A 15 119.305 79.782 130.866 1.00 27.63 N +ATOM 58 CA ASP A 15 120.760 79.764 130.811 1.00 27.63 C +ATOM 59 C ASP A 15 121.217 78.371 131.187 1.00 27.63 C +ATOM 60 O ASP A 15 120.704 77.812 132.170 1.00 27.63 O +ATOM 61 CB ASP A 15 121.357 80.722 131.829 1.00 28.96 C +ATOM 62 CG ASP A 15 120.877 82.107 131.668 1.00 28.96 C +ATOM 63 OD1 ASP A 15 121.402 82.837 130.789 1.00 28.96 O +ATOM 64 OD2 ASP A 15 119.958 82.446 132.448 1.00 28.96 O +ATOM 65 N ALA A 16 122.171 77.819 130.425 1.00 32.91 N +ATOM 66 CA ALA A 16 122.704 76.481 130.696 1.00 32.91 C +ATOM 67 C ALA A 16 124.047 76.710 131.302 1.00 32.91 C +ATOM 68 O ALA A 16 124.543 77.825 131.256 1.00 32.91 O +ATOM 69 CB ALA A 16 122.883 75.711 129.409 1.00 7.52 C +ATOM 70 N SER A 17 124.647 75.678 131.879 1.00 15.41 N +ATOM 71 CA SER A 17 125.991 75.846 132.402 1.00 15.41 C +ATOM 72 C SER A 17 126.895 75.621 131.221 1.00 15.41 C +ATOM 73 O SER A 17 126.606 74.790 130.367 1.00 15.41 O +ATOM 74 CB SER A 17 126.350 74.818 133.439 1.00 35.98 C +ATOM 75 OG SER A 17 127.760 74.693 133.455 1.00 35.98 O +ATOM 76 N VAL A 18 127.988 76.365 131.169 1.00 20.65 N +ATOM 77 CA VAL A 18 128.946 76.249 130.079 1.00 20.65 C +ATOM 78 C VAL A 18 129.715 74.944 130.266 1.00 20.65 C +ATOM 79 O VAL A 18 130.676 74.666 129.541 1.00 20.65 O +ATOM 80 CB VAL A 18 129.914 77.433 130.118 1.00 20.04 C +ATOM 81 CG1 VAL A 18 129.191 78.711 129.788 1.00 20.04 C +ATOM 82 CG2 VAL A 18 130.446 77.580 131.513 1.00 20.04 C +ATOM 83 N GLU A 19 129.298 74.159 131.259 1.00 14.99 N +ATOM 84 CA GLU A 19 129.929 72.885 131.539 1.00 14.99 C +ATOM 85 C GLU A 19 129.151 71.749 130.880 1.00 14.99 C +ATOM 86 O GLU A 19 129.642 70.644 130.726 1.00 14.99 O +ATOM 87 CB GLU A 19 130.057 72.680 133.058 1.00 29.37 C +ATOM 88 CG GLU A 19 131.192 73.502 133.673 1.00 29.37 C +ATOM 89 CD GLU A 19 131.400 73.280 135.178 1.00 29.37 C +ATOM 90 OE1 GLU A 19 130.591 73.825 135.971 1.00 29.37 O +ATOM 91 OE2 GLU A 19 132.369 72.570 135.571 1.00 29.37 O +ATOM 92 N GLU A 20 127.941 72.023 130.450 1.00 22.13 N +ATOM 93 CA GLU A 20 127.150 70.984 129.829 1.00 22.13 C +ATOM 94 C GLU A 20 127.778 70.399 128.566 1.00 22.13 C +ATOM 95 O GLU A 20 128.280 71.144 127.718 1.00 22.13 O +ATOM 96 CB GLU A 20 125.784 71.549 129.490 1.00 17.68 C +ATOM 97 CG GLU A 20 125.200 72.321 130.641 1.00 17.68 C +ATOM 98 CD GLU A 20 123.718 72.529 130.518 1.00 17.68 C +ATOM 99 OE1 GLU A 20 123.120 72.788 131.581 1.00 17.68 O +ATOM 100 OE2 GLU A 20 123.165 72.431 129.395 1.00 17.68 O +ATOM 101 N GLU A 21 127.719 69.068 128.425 1.00 10.74 N +ATOM 102 CA GLU A 21 128.263 68.391 127.247 1.00 10.74 C +ATOM 103 C GLU A 21 127.543 68.936 126.030 1.00 10.74 C +ATOM 104 O GLU A 21 128.156 69.303 125.030 1.00 10.74 O +ATOM 105 CB GLU A 21 128.063 66.902 127.338 1.00 59.98 C +ATOM 106 CG GLU A 21 129.014 66.208 126.459 1.00 59.98 C +ATOM 107 CD GLU A 21 128.630 64.790 126.233 1.00 59.98 C +ATOM 108 OE1 GLU A 21 129.407 64.060 125.563 1.00 59.98 O +ATOM 109 OE2 GLU A 21 127.545 64.405 126.724 1.00 59.98 O +ATOM 110 N GLY A 22 126.227 69.017 126.151 1.00 11.75 N +ATOM 111 CA GLY A 22 125.423 69.581 125.092 1.00 11.75 C +ATOM 112 C GLY A 22 125.933 70.949 124.654 1.00 11.75 C +ATOM 113 O GLY A 22 126.164 71.114 123.471 1.00 11.75 O +ATOM 114 N VAL A 23 126.104 71.928 125.555 1.00 11.31 N +ATOM 115 CA VAL A 23 126.610 73.256 125.151 1.00 11.31 C +ATOM 116 C VAL A 23 128.009 73.086 124.575 1.00 11.31 C +ATOM 117 O VAL A 23 128.365 73.694 123.574 1.00 11.31 O +ATOM 118 CB VAL A 23 126.802 74.224 126.334 1.00 7.18 C +ATOM 119 CG1 VAL A 23 127.411 75.477 125.833 1.00 7.18 C +ATOM 120 CG2 VAL A 23 125.522 74.533 127.008 1.00 7.18 C +ATOM 121 N ARG A 24 128.804 72.262 125.245 1.00 18.95 N +ATOM 122 CA ARG A 24 130.159 72.026 124.816 1.00 18.95 C +ATOM 123 C ARG A 24 130.184 71.600 123.373 1.00 18.95 C +ATOM 124 O ARG A 24 130.923 72.173 122.572 1.00 18.95 O +ATOM 125 CB ARG A 24 130.827 70.976 125.680 1.00 29.88 C +ATOM 126 CG ARG A 24 131.073 71.413 127.125 1.00 29.88 C +ATOM 127 CD ARG A 24 132.500 71.080 127.525 1.00 29.88 C +ATOM 128 NE ARG A 24 132.669 70.517 128.869 1.00 29.88 N +ATOM 129 CZ ARG A 24 132.863 71.246 129.959 1.00 29.88 C +ATOM 130 NH1 ARG A 24 132.898 72.577 129.863 1.00 29.88 N +ATOM 131 NH2 ARG A 24 133.063 70.652 131.128 1.00 29.88 N +ATOM 132 N ARG A 25 129.378 70.603 123.027 1.00 21.33 N +ATOM 133 CA ARG A 25 129.330 70.137 121.651 1.00 21.33 C +ATOM 134 C ARG A 25 128.744 71.208 120.724 1.00 21.33 C +ATOM 135 O ARG A 25 129.343 71.570 119.708 1.00 21.33 O +ATOM 136 CB ARG A 25 128.501 68.870 121.580 1.00 60.50 C +ATOM 137 CG ARG A 25 129.096 67.752 122.381 1.00 60.50 C +ATOM 138 CD ARG A 25 128.215 66.508 122.378 1.00 60.50 C +ATOM 139 NE ARG A 25 128.961 65.360 122.889 1.00 60.50 N +ATOM 140 CZ ARG A 25 129.565 64.453 122.123 1.00 60.50 C +ATOM 141 NH1 ARG A 25 129.496 64.553 120.791 1.00 60.50 N +ATOM 142 NH2 ARG A 25 130.264 63.466 122.691 1.00 60.50 N +ATOM 143 N ALA A 26 127.576 71.724 121.076 1.00 18.36 N +ATOM 144 CA ALA A 26 126.933 72.735 120.261 1.00 18.36 C +ATOM 145 C ALA A 26 127.947 73.781 119.941 1.00 18.36 C +ATOM 146 O ALA A 26 127.961 74.278 118.828 1.00 18.36 O +ATOM 147 CB ALA A 26 125.767 73.350 120.987 1.00 50.88 C +ATOM 148 N LEU A 27 128.801 74.109 120.911 1.00 13.12 N +ATOM 149 CA LEU A 27 129.841 75.094 120.684 1.00 13.12 C +ATOM 150 C LEU A 27 130.839 74.592 119.681 1.00 13.12 C +ATOM 151 O LEU A 27 130.990 75.202 118.646 1.00 13.12 O +ATOM 152 CB LEU A 27 130.602 75.434 121.950 1.00 6.91 C +ATOM 153 CG LEU A 27 131.764 76.426 121.712 1.00 6.91 C +ATOM 154 CD1 LEU A 27 131.268 77.739 121.100 1.00 6.91 C +ATOM 155 CD2 LEU A 27 132.443 76.722 123.020 1.00 6.91 C +ATOM 156 N ASP A 28 131.531 73.493 119.980 1.00 10.16 N +ATOM 157 CA ASP A 28 132.531 72.960 119.045 1.00 10.16 C +ATOM 158 C ASP A 28 131.960 72.806 117.652 1.00 10.16 C +ATOM 159 O ASP A 28 132.681 72.964 116.673 1.00 10.16 O +ATOM 160 CB ASP A 28 133.076 71.606 119.479 1.00 23.18 C +ATOM 161 CG ASP A 28 133.896 71.685 120.724 1.00 23.18 C +ATOM 162 OD1 ASP A 28 134.296 70.617 121.212 1.00 23.18 O +ATOM 163 OD2 ASP A 28 134.151 72.805 121.222 1.00 23.18 O +ATOM 164 N PHE A 29 130.673 72.494 117.547 1.00 19.79 N +ATOM 165 CA PHE A 29 130.053 72.344 116.236 1.00 19.79 C +ATOM 166 C PHE A 29 129.940 73.657 115.447 1.00 19.79 C +ATOM 167 O PHE A 29 130.210 73.696 114.260 1.00 19.79 O +ATOM 168 CB PHE A 29 128.657 71.755 116.389 1.00 18.52 C +ATOM 169 CG PHE A 29 127.840 71.801 115.119 1.00 18.52 C +ATOM 170 CD1 PHE A 29 128.176 71.009 114.042 1.00 18.52 C +ATOM 171 CD2 PHE A 29 126.750 72.648 115.012 1.00 18.52 C +ATOM 172 CE1 PHE A 29 127.446 71.067 112.910 1.00 18.52 C +ATOM 173 CE2 PHE A 29 126.005 72.710 113.868 1.00 18.52 C +ATOM 174 CZ PHE A 29 126.344 71.929 112.824 1.00 18.52 C +ATOM 175 N ALA A 30 129.504 74.715 116.114 1.00 25.24 N +ATOM 176 CA ALA A 30 129.358 76.006 115.473 1.00 25.24 C +ATOM 177 C ALA A 30 130.690 76.599 115.149 1.00 25.24 C +ATOM 178 O ALA A 30 130.828 77.274 114.156 1.00 25.24 O +ATOM 179 CB ALA A 30 128.592 76.981 116.355 1.00 7.99 C +ATOM 180 N VAL A 31 131.685 76.396 115.987 1.00 21.68 N +ATOM 181 CA VAL A 31 132.964 76.974 115.647 1.00 21.68 C +ATOM 182 C VAL A 31 133.442 76.271 114.402 1.00 21.68 C +ATOM 183 O VAL A 31 134.161 76.849 113.582 1.00 21.68 O +ATOM 184 CB VAL A 31 133.982 76.767 116.765 1.00 14.06 C +ATOM 185 CG1 VAL A 31 135.383 77.200 116.331 1.00 14.06 C +ATOM 186 CG2 VAL A 31 133.559 77.537 118.011 1.00 14.06 C +ATOM 187 N GLY A 32 133.010 75.018 114.272 1.00 18.51 N +ATOM 188 CA GLY A 32 133.364 74.199 113.128 1.00 18.51 C +ATOM 189 C GLY A 32 132.744 74.734 111.859 1.00 18.51 C +ATOM 190 O GLY A 32 133.437 74.937 110.860 1.00 18.51 O +ATOM 191 N GLU A 33 131.453 74.951 111.884 1.00 34.65 N +ATOM 192 CA GLU A 33 130.800 75.526 110.716 1.00 34.65 C +ATOM 193 C GLU A 33 131.342 76.918 110.503 1.00 34.65 C +ATOM 194 O GLU A 33 131.492 77.359 109.375 1.00 34.65 O +ATOM 195 CB GLU A 33 129.311 75.645 110.961 1.00 38.03 C +ATOM 196 CG GLU A 33 128.693 74.299 111.236 1.00 38.03 C +ATOM 197 CD GLU A 33 128.909 73.430 110.039 1.00 38.03 C +ATOM 198 OE1 GLU A 33 129.458 72.323 110.169 1.00 38.03 O +ATOM 199 OE2 GLU A 33 128.503 73.848 108.933 1.00 38.03 O +ATOM 200 N TYR A 34 131.613 77.607 111.597 1.00 24.89 N +ATOM 201 CA TYR A 34 132.085 78.967 111.505 1.00 24.89 C +ATOM 202 C TYR A 34 133.398 79.064 110.751 1.00 24.89 C +ATOM 203 O TYR A 34 133.591 79.952 109.927 1.00 24.89 O +ATOM 204 CB TYR A 34 132.316 79.567 112.908 1.00 23.69 C +ATOM 205 CG TYR A 34 133.082 80.873 112.847 1.00 23.69 C +ATOM 206 CD1 TYR A 34 134.472 80.888 112.652 1.00 23.69 C +ATOM 207 CD2 TYR A 34 132.423 82.096 112.994 1.00 23.69 C +ATOM 208 CE1 TYR A 34 135.178 82.057 112.593 1.00 23.69 C +ATOM 209 CE2 TYR A 34 133.134 83.283 112.940 1.00 23.69 C +ATOM 210 CZ TYR A 34 134.514 83.250 112.730 1.00 23.69 C +ATOM 211 OH TYR A 34 135.206 84.425 112.645 1.00 23.69 O +ATOM 212 N ASN A 35 134.304 78.170 111.051 1.00 24.81 N +ATOM 213 CA ASN A 35 135.560 78.194 110.331 1.00 24.81 C +ATOM 214 C ASN A 35 135.290 77.788 108.914 1.00 24.81 C +ATOM 215 O ASN A 35 135.924 78.318 108.010 1.00 24.81 O +ATOM 216 CB ASN A 35 136.583 77.259 110.965 1.00 30.20 C +ATOM 217 CG ASN A 35 137.330 77.899 112.103 1.00 30.20 C +ATOM 218 OD1 ASN A 35 137.946 78.948 111.950 1.00 30.20 O +ATOM 219 ND2 ASN A 35 137.285 77.266 113.254 1.00 30.20 N +ATOM 220 N LYS A 36 134.368 76.863 108.694 1.00 30.35 N +ATOM 221 CA LYS A 36 134.130 76.427 107.334 1.00 30.35 C +ATOM 222 C LYS A 36 133.816 77.584 106.420 1.00 30.35 C +ATOM 223 O LYS A 36 134.219 77.594 105.252 1.00 30.35 O +ATOM 224 CB LYS A 36 132.993 75.420 107.266 1.00 43.93 C +ATOM 225 CG LYS A 36 133.347 74.026 107.726 1.00 43.93 C +ATOM 226 CD LYS A 36 132.165 73.104 107.476 1.00 43.93 C +ATOM 227 CE LYS A 36 132.397 71.708 108.022 1.00 43.93 C +ATOM 228 NZ LYS A 36 131.111 70.963 108.192 1.00 43.93 N +ATOM 229 N ALA A 37 133.077 78.557 106.928 1.00 41.06 N +ATOM 230 CA ALA A 37 132.596 79.688 106.119 1.00 41.06 C +ATOM 231 C ALA A 37 133.303 81.032 106.303 1.00 41.06 C +ATOM 232 O ALA A 37 132.822 82.040 105.770 1.00 41.06 O +ATOM 233 CB ALA A 37 131.102 79.872 106.358 1.00 6.15 C +ATOM 234 N SER A 38 134.433 81.105 107.031 1.00 28.18 N +ATOM 235 CA SER A 38 135.084 82.384 107.307 1.00 28.18 C +ATOM 236 C SER A 38 136.075 82.855 106.279 1.00 28.18 C +ATOM 237 O SER A 38 136.846 82.041 105.739 1.00 28.18 O +ATOM 238 CB SER A 38 135.834 82.294 108.634 1.00 46.08 C +ATOM 239 OG SER A 38 136.928 81.375 108.553 1.00 46.08 O +ATOM 240 N ASN A 39 136.094 84.165 106.019 1.00 51.93 N +ATOM 241 CA ASN A 39 137.074 84.712 105.071 1.00 51.93 C +ATOM 242 C ASN A 39 138.358 84.717 105.877 1.00 51.93 C +ATOM 243 O ASN A 39 138.560 85.580 106.720 1.00 51.93 O +ATOM 244 CB ASN A 39 136.707 86.146 104.670 1.00 95.15 C +ATOM 245 CG ASN A 39 137.850 86.878 103.953 1.00 95.15 C +ATOM 246 OD1 ASN A 39 138.307 86.461 102.885 1.00 95.15 O +ATOM 247 ND2 ASN A 39 138.309 87.979 104.546 1.00 95.15 N +ATOM 248 N ASP A 40 139.228 83.754 105.640 1.00 35.24 N +ATOM 249 CA ASP A 40 140.444 83.692 106.430 1.00 35.24 C +ATOM 250 C ASP A 40 141.070 82.347 106.120 1.00 35.24 C +ATOM 251 O ASP A 40 140.345 81.375 105.959 1.00 35.24 O +ATOM 252 CB ASP A 40 140.081 83.768 107.915 1.00 50.28 C +ATOM 253 CG ASP A 40 141.286 83.926 108.810 1.00 50.28 C +ATOM 254 OD1 ASP A 40 142.295 83.238 108.550 1.00 50.28 O +ATOM 255 OD2 ASP A 40 141.222 84.732 109.776 1.00 50.28 O +ATOM 256 N MET A 41 142.395 82.287 106.012 1.00 44.53 N +ATOM 257 CA MET A 41 143.049 81.034 105.708 1.00 44.53 C +ATOM 258 C MET A 41 143.311 80.360 107.054 1.00 44.53 C +ATOM 259 O MET A 41 143.736 79.192 107.132 1.00 44.53 O +ATOM 260 CB MET A 41 144.360 81.276 104.925 1.00 95.15 C +ATOM 261 CG MET A 41 145.468 82.069 105.666 1.00 95.15 C +ATOM 262 SD MET A 41 147.100 82.271 104.770 1.00 95.15 S +ATOM 263 CE MET A 41 148.255 81.307 105.787 1.00 95.15 C +ATOM 264 N TYR A 42 142.997 81.085 108.126 1.00 41.51 N +ATOM 265 CA TYR A 42 143.254 80.594 109.480 1.00 41.51 C +ATOM 266 C TYR A 42 142.100 80.058 110.303 1.00 41.51 C +ATOM 267 O TYR A 42 141.007 80.641 110.351 1.00 41.51 O +ATOM 268 CB TYR A 42 143.914 81.690 110.305 1.00 68.03 C +ATOM 269 CG TYR A 42 145.323 82.018 109.935 1.00 68.03 C +ATOM 270 CD1 TYR A 42 146.322 81.056 110.030 1.00 68.03 C +ATOM 271 CD2 TYR A 42 145.676 83.309 109.558 1.00 68.03 C +ATOM 272 CE1 TYR A 42 147.656 81.371 109.763 1.00 68.03 C +ATOM 273 CE2 TYR A 42 147.004 83.647 109.290 1.00 68.03 C +ATOM 274 CZ TYR A 42 147.996 82.673 109.396 1.00 68.03 C +ATOM 275 OH TYR A 42 149.322 83.000 109.165 1.00 68.03 O +ATOM 276 N HIS A 43 142.390 78.966 111.004 1.00 26.52 N +ATOM 277 CA HIS A 43 141.442 78.311 111.888 1.00 26.52 C +ATOM 278 C HIS A 43 141.143 79.292 113.022 1.00 26.52 C +ATOM 279 O HIS A 43 141.968 80.162 113.341 1.00 26.52 O +ATOM 280 CB HIS A 43 142.087 77.050 112.428 1.00 73.99 C +ATOM 281 CG HIS A 43 141.194 76.226 113.291 1.00 73.99 C +ATOM 282 ND1 HIS A 43 140.061 75.606 112.811 1.00 73.99 N +ATOM 283 CD2 HIS A 43 141.324 75.833 114.583 1.00 73.99 C +ATOM 284 CE1 HIS A 43 139.540 74.854 113.767 1.00 73.99 C +ATOM 285 NE2 HIS A 43 140.290 74.973 114.851 1.00 73.99 N +ATOM 286 N SER A 44 139.960 79.183 113.616 1.00 20.69 N +ATOM 287 CA SER A 44 139.622 80.071 114.714 1.00 20.69 C +ATOM 288 C SER A 44 138.965 79.260 115.816 1.00 20.69 C +ATOM 289 O SER A 44 138.337 78.251 115.513 1.00 20.69 O +ATOM 290 CB SER A 44 138.717 81.163 114.215 1.00 28.60 C +ATOM 291 OG SER A 44 139.308 81.717 113.056 1.00 28.60 O +ATOM 292 N ARG A 45 139.160 79.665 117.082 1.00 9.12 N +ATOM 293 CA ARG A 45 138.597 78.977 118.238 1.00 9.12 C +ATOM 294 C ARG A 45 137.947 79.928 119.212 1.00 9.12 C +ATOM 295 O ARG A 45 138.219 81.123 119.214 1.00 9.12 O +ATOM 296 CB ARG A 45 139.666 78.214 118.942 1.00 37.77 C +ATOM 297 CG ARG A 45 140.330 77.262 118.036 1.00 37.77 C +ATOM 298 CD ARG A 45 141.098 76.327 118.863 1.00 37.77 C +ATOM 299 NE ARG A 45 141.645 75.212 118.119 1.00 37.77 N +ATOM 300 CZ ARG A 45 142.531 74.378 118.660 1.00 37.77 C +ATOM 301 NH1 ARG A 45 142.919 74.588 119.928 1.00 37.77 N +ATOM 302 NH2 ARG A 45 143.040 73.352 117.954 1.00 37.77 N +ATOM 303 N ALA A 46 137.057 79.387 120.028 1.00 6.30 N +ATOM 304 CA ALA A 46 136.333 80.160 121.012 1.00 6.30 C +ATOM 305 C ALA A 46 137.314 80.835 121.965 1.00 6.30 C +ATOM 306 O ALA A 46 138.150 80.182 122.607 1.00 6.30 O +ATOM 307 CB ALA A 46 135.428 79.248 121.766 1.00 6.15 C +ATOM 308 N LEU A 47 137.235 82.154 122.057 1.00 24.00 N +ATOM 309 CA LEU A 47 138.124 82.867 122.954 1.00 24.00 C +ATOM 310 C LEU A 47 137.332 82.854 124.222 1.00 24.00 C +ATOM 311 O LEU A 47 137.901 82.755 125.274 1.00 24.00 O +ATOM 312 CB LEU A 47 138.384 84.287 122.441 1.00 27.82 C +ATOM 313 CG LEU A 47 139.728 85.001 122.609 1.00 27.82 C +ATOM 314 CD1 LEU A 47 139.781 85.694 123.931 1.00 27.82 C +ATOM 315 CD2 LEU A 47 140.851 84.032 122.458 1.00 27.82 C +ATOM 316 N GLN A 48 136.009 82.922 124.115 1.00 29.64 N +ATOM 317 CA GLN A 48 135.106 82.851 125.274 1.00 29.64 C +ATOM 318 C GLN A 48 133.627 82.703 124.872 1.00 29.64 C +ATOM 319 O GLN A 48 133.202 83.091 123.778 1.00 29.64 O +ATOM 320 CB GLN A 48 135.267 84.075 126.170 1.00 19.70 C +ATOM 321 CG GLN A 48 133.980 84.536 126.802 1.00 19.70 C +ATOM 322 CD GLN A 48 134.129 85.850 127.602 1.00 19.70 C +ATOM 323 OE1 GLN A 48 134.674 86.856 127.106 1.00 19.70 O +ATOM 324 NE2 GLN A 48 133.640 85.847 128.848 1.00 19.70 N +ATOM 325 N VAL A 49 132.852 82.086 125.750 1.00 11.43 N +ATOM 326 CA VAL A 49 131.413 81.933 125.537 1.00 11.43 C +ATOM 327 C VAL A 49 130.842 82.864 126.588 1.00 11.43 C +ATOM 328 O VAL A 49 130.830 82.486 127.754 1.00 11.43 O +ATOM 329 CB VAL A 49 130.931 80.541 125.874 1.00 13.97 C +ATOM 330 CG1 VAL A 49 129.382 80.495 125.781 1.00 13.97 C +ATOM 331 CG2 VAL A 49 131.599 79.543 124.945 1.00 13.97 C +ATOM 332 N VAL A 50 130.364 84.047 126.195 1.00 27.00 N +ATOM 333 CA VAL A 50 129.898 84.994 127.184 1.00 27.00 C +ATOM 334 C VAL A 50 128.558 84.694 127.766 1.00 27.00 C +ATOM 335 O VAL A 50 128.297 85.056 128.905 1.00 27.00 O +ATOM 336 CB VAL A 50 129.900 86.472 126.670 1.00 9.95 C +ATOM 337 CG1 VAL A 50 130.775 86.641 125.444 1.00 9.95 C +ATOM 338 CG2 VAL A 50 128.500 86.940 126.449 1.00 9.95 C +ATOM 339 N ARG A 51 127.702 84.048 126.993 1.00 17.14 N +ATOM 340 CA ARG A 51 126.368 83.666 127.477 1.00 17.14 C +ATOM 341 C ARG A 51 125.975 82.322 126.840 1.00 17.14 C +ATOM 342 O ARG A 51 126.485 81.963 125.774 1.00 17.14 O +ATOM 343 CB ARG A 51 125.380 84.731 127.082 1.00 59.13 C +ATOM 344 CG ARG A 51 124.170 84.748 127.904 1.00 59.13 C +ATOM 345 CD ARG A 51 123.194 85.636 127.201 1.00 59.13 C +ATOM 346 NE ARG A 51 122.024 85.937 128.016 1.00 59.13 N +ATOM 347 CZ ARG A 51 120.940 86.544 127.542 1.00 59.13 C +ATOM 348 NH1 ARG A 51 120.892 86.908 126.249 1.00 59.13 N +ATOM 349 NH2 ARG A 51 119.914 86.786 128.361 1.00 59.13 N +ATOM 350 N ALA A 52 125.096 81.557 127.465 1.00 33.44 N +ATOM 351 CA ALA A 52 124.714 80.292 126.849 1.00 33.44 C +ATOM 352 C ALA A 52 123.371 79.747 127.310 1.00 33.44 C +ATOM 353 O ALA A 52 123.245 79.104 128.369 1.00 33.44 O +ATOM 354 CB ALA A 52 125.779 79.278 127.071 1.00 6.15 C +ATOM 355 N ARG A 53 122.352 80.008 126.503 1.00 19.89 N +ATOM 356 CA ARG A 53 121.038 79.528 126.834 1.00 19.89 C +ATOM 357 C ARG A 53 120.605 78.362 125.952 1.00 19.89 C +ATOM 358 O ARG A 53 121.114 78.191 124.838 1.00 19.89 O +ATOM 359 CB ARG A 53 120.077 80.670 126.688 1.00 37.34 C +ATOM 360 CG ARG A 53 120.428 81.841 127.558 1.00 37.34 C +ATOM 361 CD ARG A 53 119.628 83.054 127.126 1.00 37.34 C +ATOM 362 NE ARG A 53 120.090 83.551 125.837 1.00 37.34 N +ATOM 363 CZ ARG A 53 119.323 84.218 124.989 1.00 37.34 C +ATOM 364 NH1 ARG A 53 118.055 84.450 125.306 1.00 37.34 N +ATOM 365 NH2 ARG A 53 119.826 84.669 123.841 1.00 37.34 N +ATOM 366 N LYS A 54 119.691 77.537 126.469 1.00 28.28 N +ATOM 367 CA LYS A 54 119.140 76.417 125.696 1.00 28.28 C +ATOM 368 C LYS A 54 117.644 76.492 125.746 1.00 28.28 C +ATOM 369 O LYS A 54 117.089 77.327 126.456 1.00 28.28 O +ATOM 370 CB LYS A 54 119.562 75.084 126.246 1.00 14.30 C +ATOM 371 CG LYS A 54 119.198 74.863 127.675 1.00 14.30 C +ATOM 372 CD LYS A 54 119.922 73.626 128.113 1.00 14.30 C +ATOM 373 CE LYS A 54 119.741 73.291 129.563 1.00 14.30 C +ATOM 374 NZ LYS A 54 119.835 71.782 129.640 1.00 14.30 N +ATOM 375 N GLN A 55 116.983 75.618 125.004 1.00 38.16 N +ATOM 376 CA GLN A 55 115.523 75.616 124.954 1.00 38.16 C +ATOM 377 C GLN A 55 115.084 74.296 124.450 1.00 38.16 C +ATOM 378 O GLN A 55 115.848 73.612 123.796 1.00 38.16 O +ATOM 379 CB GLN A 55 115.039 76.660 123.988 1.00 29.77 C +ATOM 380 CG GLN A 55 113.569 76.660 123.726 1.00 29.77 C +ATOM 381 CD GLN A 55 113.172 77.919 122.950 1.00 29.77 C +ATOM 382 OE1 GLN A 55 113.493 78.071 121.743 1.00 29.77 O +ATOM 383 NE2 GLN A 55 112.493 78.843 123.635 1.00 29.77 N +ATOM 384 N ILE A 56 113.860 73.901 124.710 1.00 35.56 N +ATOM 385 CA ILE A 56 113.502 72.605 124.195 1.00 35.56 C +ATOM 386 C ILE A 56 112.271 72.526 123.302 1.00 35.56 C +ATOM 387 O ILE A 56 111.135 72.757 123.736 1.00 35.56 O +ATOM 388 CB ILE A 56 113.362 71.595 125.329 1.00 26.70 C +ATOM 389 CG1 ILE A 56 114.718 71.350 125.972 1.00 26.70 C +ATOM 390 CG2 ILE A 56 112.870 70.284 124.782 1.00 26.70 C +ATOM 391 CD1 ILE A 56 114.750 70.172 126.948 1.00 26.70 C +ATOM 392 N VAL A 57 112.493 72.210 122.037 1.00 26.62 N +ATOM 393 CA VAL A 57 111.370 72.039 121.144 1.00 26.62 C +ATOM 394 C VAL A 57 110.843 70.607 121.383 1.00 26.62 C +ATOM 395 O VAL A 57 111.601 69.636 121.377 1.00 26.62 O +ATOM 396 CB VAL A 57 111.793 72.171 119.687 1.00 49.22 C +ATOM 397 CG1 VAL A 57 111.706 73.611 119.243 1.00 49.22 C +ATOM 398 CG2 VAL A 57 113.204 71.647 119.535 1.00 49.22 C +ATOM 399 N ALA A 58 109.548 70.470 121.618 1.00 31.89 N +ATOM 400 CA ALA A 58 109.008 69.149 121.827 1.00 31.89 C +ATOM 401 C ALA A 58 108.059 68.846 120.696 1.00 31.89 C +ATOM 402 O ALA A 58 107.325 69.720 120.240 1.00 31.89 O +ATOM 403 CB ALA A 58 108.275 69.104 123.124 1.00 49.00 C +ATOM 404 N GLY A 59 108.082 67.608 120.238 1.00 36.93 N +ATOM 405 CA GLY A 59 107.180 67.202 119.187 1.00 36.93 C +ATOM 406 C GLY A 59 106.477 65.936 119.653 1.00 36.93 C +ATOM 407 O GLY A 59 107.132 64.930 119.934 1.00 36.93 O +ATOM 408 N VAL A 60 105.158 65.969 119.787 1.00 12.69 N +ATOM 409 CA VAL A 60 104.453 64.757 120.177 1.00 12.69 C +ATOM 410 C VAL A 60 103.799 64.083 118.984 1.00 12.69 C +ATOM 411 O VAL A 60 103.104 64.741 118.207 1.00 12.69 O +ATOM 412 CB VAL A 60 103.340 65.041 121.191 1.00 32.85 C +ATOM 413 CG1 VAL A 60 102.433 63.847 121.301 1.00 32.85 C +ATOM 414 CG2 VAL A 60 103.940 65.323 122.546 1.00 32.85 C +ATOM 415 N ASN A 61 104.039 62.783 118.820 1.00 12.00 N +ATOM 416 CA ASN A 61 103.378 61.989 117.775 1.00 12.00 C +ATOM 417 C ASN A 61 102.221 61.261 118.520 1.00 12.00 C +ATOM 418 O ASN A 61 102.427 60.736 119.626 1.00 12.00 O +ATOM 419 CB ASN A 61 104.325 60.949 117.215 1.00 31.65 C +ATOM 420 CG ASN A 61 104.732 61.242 115.805 1.00 31.65 C +ATOM 421 OD1 ASN A 61 104.061 61.989 115.083 1.00 31.65 O +ATOM 422 ND2 ASN A 61 105.832 60.631 115.381 1.00 31.65 N +ATOM 423 N TYR A 62 101.011 61.266 117.957 1.00 19.19 N +ATOM 424 CA TYR A 62 99.854 60.602 118.579 1.00 19.19 C +ATOM 425 C TYR A 62 99.355 59.487 117.676 1.00 19.19 C +ATOM 426 O TYR A 62 99.270 59.656 116.458 1.00 19.19 O +ATOM 427 CB TYR A 62 98.707 61.575 118.746 1.00 13.75 C +ATOM 428 CG TYR A 62 98.856 62.590 119.844 1.00 13.75 C +ATOM 429 CD1 TYR A 62 98.615 62.228 121.158 1.00 13.75 C +ATOM 430 CD2 TYR A 62 99.223 63.918 119.581 1.00 13.75 C +ATOM 431 CE1 TYR A 62 98.736 63.147 122.209 1.00 13.75 C +ATOM 432 CE2 TYR A 62 99.348 64.867 120.633 1.00 13.75 C +ATOM 433 CZ TYR A 62 99.109 64.464 121.963 1.00 13.75 C +ATOM 434 OH TYR A 62 99.298 65.285 123.087 1.00 13.75 O +ATOM 435 N PHE A 63 99.022 58.345 118.244 1.00 16.50 N +ATOM 436 CA PHE A 63 98.483 57.269 117.429 1.00 16.50 C +ATOM 437 C PHE A 63 97.094 56.983 118.030 1.00 16.50 C +ATOM 438 O PHE A 63 96.972 56.415 119.135 1.00 16.50 O +ATOM 439 CB PHE A 63 99.378 56.072 117.524 1.00 16.29 C +ATOM 440 CG PHE A 63 100.809 56.421 117.520 1.00 16.29 C +ATOM 441 CD1 PHE A 63 101.387 57.018 118.634 1.00 16.29 C +ATOM 442 CD2 PHE A 63 101.595 56.203 116.369 1.00 16.29 C +ATOM 443 CE1 PHE A 63 102.712 57.398 118.617 1.00 16.29 C +ATOM 444 CE2 PHE A 63 102.924 56.571 116.320 1.00 16.29 C +ATOM 445 CZ PHE A 63 103.488 57.176 117.453 1.00 16.29 C +ATOM 446 N LEU A 64 96.054 57.395 117.305 1.00 6.15 N +ATOM 447 CA LEU A 64 94.701 57.244 117.754 1.00 6.15 C +ATOM 448 C LEU A 64 93.929 56.173 117.033 1.00 6.15 C +ATOM 449 O LEU A 64 93.890 56.138 115.801 1.00 6.15 O +ATOM 450 CB LEU A 64 93.997 58.545 117.534 1.00 6.15 C +ATOM 451 CG LEU A 64 94.568 59.709 118.278 1.00 6.15 C +ATOM 452 CD1 LEU A 64 93.563 60.906 118.354 1.00 6.15 C +ATOM 453 CD2 LEU A 64 94.887 59.146 119.633 1.00 6.15 C +ATOM 454 N ASP A 65 93.302 55.282 117.771 1.00 19.08 N +ATOM 455 CA ASP A 65 92.494 54.282 117.094 1.00 19.08 C +ATOM 456 C ASP A 65 91.035 54.616 117.309 1.00 19.08 C +ATOM 457 O ASP A 65 90.500 54.558 118.421 1.00 19.08 O +ATOM 458 CB ASP A 65 92.883 52.913 117.576 1.00 28.18 C +ATOM 459 CG ASP A 65 94.066 52.438 116.856 1.00 28.18 C +ATOM 460 OD1 ASP A 65 94.083 52.687 115.632 1.00 28.18 O +ATOM 461 OD2 ASP A 65 94.972 51.864 117.473 1.00 28.18 O +ATOM 462 N VAL A 66 90.402 54.955 116.208 1.00 15.96 N +ATOM 463 CA VAL A 66 89.073 55.456 116.259 1.00 15.96 C +ATOM 464 C VAL A 66 88.041 54.727 115.458 1.00 15.96 C +ATOM 465 O VAL A 66 88.292 54.325 114.334 1.00 15.96 O +ATOM 466 CB VAL A 66 89.091 56.898 115.716 1.00 19.30 C +ATOM 467 CG1 VAL A 66 87.766 57.601 115.991 1.00 19.30 C +ATOM 468 CG2 VAL A 66 90.251 57.689 116.316 1.00 19.30 C +ATOM 469 N GLU A 67 86.862 54.552 116.046 1.00 21.95 N +ATOM 470 CA GLU A 67 85.716 53.972 115.343 1.00 21.95 C +ATOM 471 C GLU A 67 84.828 55.208 115.047 1.00 21.95 C +ATOM 472 O GLU A 67 84.348 55.861 115.962 1.00 21.95 O +ATOM 473 CB GLU A 67 85.018 53.021 116.287 1.00 63.23 C +ATOM 474 CG GLU A 67 83.796 52.340 115.778 1.00 63.23 C +ATOM 475 CD GLU A 67 83.195 51.514 116.895 1.00 63.23 C +ATOM 476 OE1 GLU A 67 83.964 50.745 117.528 1.00 63.23 O +ATOM 477 OE2 GLU A 67 81.976 51.636 117.172 1.00 63.23 O +ATOM 478 N LEU A 68 84.627 55.578 113.794 1.00 22.91 N +ATOM 479 CA LEU A 68 83.814 56.766 113.548 1.00 22.91 C +ATOM 480 C LEU A 68 82.383 56.440 113.142 1.00 22.91 C +ATOM 481 O LEU A 68 82.128 55.454 112.465 1.00 22.91 O +ATOM 482 CB LEU A 68 84.418 57.619 112.445 1.00 6.15 C +ATOM 483 CG LEU A 68 85.874 58.052 112.544 1.00 6.15 C +ATOM 484 CD1 LEU A 68 86.428 58.367 111.133 1.00 6.15 C +ATOM 485 CD2 LEU A 68 85.995 59.264 113.428 1.00 6.15 C +ATOM 486 N GLY A 69 81.453 57.299 113.533 1.00 21.63 N +ATOM 487 CA GLY A 69 80.056 57.120 113.177 1.00 21.63 C +ATOM 488 C GLY A 69 79.578 58.264 112.298 1.00 21.63 C +ATOM 489 O GLY A 69 80.140 59.363 112.301 1.00 21.63 O +ATOM 490 N ARG A 70 78.518 57.999 111.548 1.00 43.99 N +ATOM 491 CA ARG A 70 77.950 58.971 110.624 1.00 43.99 C +ATOM 492 C ARG A 70 76.845 59.774 111.262 1.00 43.99 C +ATOM 493 O ARG A 70 75.851 59.223 111.697 1.00 43.99 O +ATOM 494 CB ARG A 70 77.409 58.227 109.426 1.00 51.04 C +ATOM 495 CG ARG A 70 76.851 59.078 108.340 1.00 51.04 C +ATOM 496 CD ARG A 70 76.842 58.225 107.102 1.00 51.04 C +ATOM 497 NE ARG A 70 75.889 58.658 106.097 1.00 51.04 N +ATOM 498 CZ ARG A 70 75.724 58.032 104.939 1.00 51.04 C +ATOM 499 NH1 ARG A 70 76.458 56.945 104.655 1.00 51.04 N +ATOM 500 NH2 ARG A 70 74.835 58.497 104.065 1.00 51.04 N +ATOM 501 N THR A 71 77.003 61.084 111.314 1.00 25.33 N +ATOM 502 CA THR A 71 75.986 61.898 111.934 1.00 25.33 C +ATOM 503 C THR A 71 74.932 62.383 110.979 1.00 25.33 C +ATOM 504 O THR A 71 75.020 62.244 109.757 1.00 25.33 O +ATOM 505 CB THR A 71 76.553 63.148 112.549 1.00 34.11 C +ATOM 506 OG1 THR A 71 76.779 64.134 111.525 1.00 34.11 O +ATOM 507 CG2 THR A 71 77.829 62.823 113.229 1.00 34.11 C +ATOM 508 N THR A 72 73.943 63.015 111.588 1.00 39.96 N +ATOM 509 CA THR A 72 72.792 63.592 110.940 1.00 39.96 C +ATOM 510 C THR A 72 73.109 64.900 110.266 1.00 39.96 C +ATOM 511 O THR A 72 72.438 65.253 109.323 1.00 39.96 O +ATOM 512 CB THR A 72 71.730 63.805 111.976 1.00 46.33 C +ATOM 513 OG1 THR A 72 71.134 62.544 112.265 1.00 46.33 O +ATOM 514 CG2 THR A 72 70.703 64.780 111.514 1.00 46.33 C +ATOM 515 N CYS A 73 74.105 65.635 110.749 1.00 40.83 N +ATOM 516 CA CYS A 73 74.457 66.894 110.109 1.00 40.83 C +ATOM 517 C CYS A 73 75.004 66.596 108.721 1.00 40.83 C +ATOM 518 O CYS A 73 75.493 65.481 108.469 1.00 40.83 O +ATOM 519 CB CYS A 73 75.520 67.627 110.906 1.00 40.68 C +ATOM 520 SG CYS A 73 74.964 68.184 112.542 1.00 40.68 S +ATOM 521 N THR A 74 74.926 67.587 107.827 1.00 54.94 N +ATOM 522 CA THR A 74 75.409 67.459 106.436 1.00 54.94 C +ATOM 523 C THR A 74 76.749 68.140 106.346 1.00 54.94 C +ATOM 524 O THR A 74 77.019 69.061 107.109 1.00 54.94 O +ATOM 525 CB THR A 74 74.521 68.202 105.432 1.00 62.60 C +ATOM 526 OG1 THR A 74 74.724 69.618 105.593 1.00 62.60 O +ATOM 527 CG2 THR A 74 73.039 67.837 105.639 1.00 62.60 C +ATOM 528 N LYS A 75 77.573 67.747 105.384 1.00 54.05 N +ATOM 529 CA LYS A 75 78.883 68.375 105.324 1.00 54.05 C +ATOM 530 C LYS A 75 78.768 69.846 104.999 1.00 54.05 C +ATOM 531 O LYS A 75 79.453 70.671 105.599 1.00 54.05 O +ATOM 532 CB LYS A 75 79.814 67.650 104.342 1.00 40.40 C +ATOM 533 CG LYS A 75 81.289 67.637 104.849 1.00 40.40 C +ATOM 534 CD LYS A 75 82.183 66.619 104.139 1.00 40.40 C +ATOM 535 CE LYS A 75 81.570 65.240 104.197 1.00 40.40 C +ATOM 536 NZ LYS A 75 82.467 64.259 103.558 1.00 40.40 N +ATOM 537 N THR A 76 77.881 70.174 104.068 1.00 76.44 N +ATOM 538 CA THR A 76 77.652 71.565 103.691 1.00 76.44 C +ATOM 539 C THR A 76 76.630 72.140 104.659 1.00 76.44 C +ATOM 540 O THR A 76 75.535 72.542 104.266 1.00 76.44 O +ATOM 541 CB THR A 76 77.089 71.684 102.263 1.00 72.04 C +ATOM 542 OG1 THR A 76 75.769 71.104 102.207 1.00 72.04 O +ATOM 543 CG2 THR A 76 78.033 70.980 101.269 1.00 72.04 C +ATOM 544 N GLN A 77 76.987 72.149 105.936 1.00 83.05 N +ATOM 545 CA GLN A 77 76.101 72.675 106.952 1.00 83.05 C +ATOM 546 C GLN A 77 76.850 73.715 107.785 1.00 83.05 C +ATOM 547 O GLN A 77 78.020 73.518 108.160 1.00 83.05 O +ATOM 548 CB GLN A 77 75.569 71.543 107.836 1.00 71.91 C +ATOM 549 CG GLN A 77 74.420 71.977 108.717 1.00 71.91 C +ATOM 550 CD GLN A 77 73.498 70.829 109.117 1.00 71.91 C +ATOM 551 OE1 GLN A 77 73.333 69.851 108.373 1.00 71.91 O +ATOM 552 NE2 GLN A 77 72.864 70.961 110.287 1.00 71.91 N +ATOM 553 N PRO A 78 76.186 74.853 108.062 1.00 84.00 N +ATOM 554 CA PRO A 78 76.730 75.974 108.843 1.00 84.00 C +ATOM 555 C PRO A 78 76.745 75.715 110.352 1.00 84.00 C +ATOM 556 O PRO A 78 77.777 75.881 111.016 1.00 84.00 O +ATOM 557 CB PRO A 78 75.800 77.139 108.476 1.00 87.46 C +ATOM 558 CG PRO A 78 75.099 76.677 107.194 1.00 87.46 C +ATOM 559 CD PRO A 78 74.894 75.222 107.457 1.00 87.46 C +ATOM 560 N ASN A 79 75.582 75.322 110.873 1.00 95.15 N +ATOM 561 CA ASN A 79 75.400 75.037 112.296 1.00 95.15 C +ATOM 562 C ASN A 79 75.769 73.571 112.565 1.00 95.15 C +ATOM 563 O ASN A 79 75.045 72.661 112.143 1.00 95.15 O +ATOM 564 CB ASN A 79 73.930 75.275 112.715 1.00 95.15 C +ATOM 565 CG ASN A 79 73.419 76.698 112.390 1.00 95.15 C +ATOM 566 OD1 ASN A 79 72.282 77.064 112.748 1.00 95.15 O +ATOM 567 ND2 ASN A 79 74.247 77.494 111.707 1.00 95.15 N +ATOM 568 N LEU A 80 76.883 73.347 113.270 1.00 95.15 N +ATOM 569 CA LEU A 80 77.354 71.987 113.591 1.00 95.15 C +ATOM 570 C LEU A 80 77.398 71.676 115.076 1.00 95.15 C +ATOM 571 O LEU A 80 78.112 70.766 115.510 1.00 95.15 O +ATOM 572 CB LEU A 80 78.752 71.753 113.019 1.00 68.96 C +ATOM 573 CG LEU A 80 78.849 71.550 111.512 1.00 68.96 C +ATOM 574 CD1 LEU A 80 80.314 71.410 111.115 1.00 68.96 C +ATOM 575 CD2 LEU A 80 78.041 70.315 111.118 1.00 68.96 C +ATOM 576 N ASP A 81 76.634 72.435 115.851 1.00 95.15 N +ATOM 577 CA ASP A 81 76.610 72.239 117.288 1.00 95.15 C +ATOM 578 C ASP A 81 75.830 70.972 117.692 1.00 95.15 C +ATOM 579 O ASP A 81 76.180 70.330 118.684 1.00 95.15 O +ATOM 580 CB ASP A 81 76.071 73.517 117.969 1.00 95.15 C +ATOM 581 CG ASP A 81 77.179 74.570 118.224 1.00 95.15 C +ATOM 582 OD1 ASP A 81 76.862 75.768 118.442 1.00 95.15 O +ATOM 583 OD2 ASP A 81 78.376 74.185 118.222 1.00 95.15 O +ATOM 584 N ASN A 82 74.810 70.593 116.918 1.00 55.32 N +ATOM 585 CA ASN A 82 74.020 69.381 117.211 1.00 55.32 C +ATOM 586 C ASN A 82 74.105 68.317 116.099 1.00 55.32 C +ATOM 587 O ASN A 82 73.404 68.418 115.099 1.00 55.32 O +ATOM 588 CB ASN A 82 72.554 69.773 117.436 1.00 58.30 C +ATOM 589 CG ASN A 82 71.606 68.574 117.443 1.00 58.30 C +ATOM 590 OD1 ASN A 82 71.308 67.983 116.402 1.00 58.30 O +ATOM 591 ND2 ASN A 82 71.121 68.215 118.629 1.00 58.30 N +ATOM 592 N CYS A 83 74.951 67.303 116.263 1.00 43.43 N +ATOM 593 CA CYS A 83 75.072 66.275 115.231 1.00 43.43 C +ATOM 594 C CYS A 83 74.935 64.887 115.768 1.00 43.43 C +ATOM 595 O CYS A 83 75.923 64.250 116.132 1.00 43.43 O +ATOM 596 CB CYS A 83 76.401 66.388 114.509 1.00 39.98 C +ATOM 597 SG CYS A 83 76.583 68.034 113.784 1.00 39.98 S +ATOM 598 N PRO A 84 73.698 64.402 115.840 1.00 27.75 N +ATOM 599 CA PRO A 84 73.273 63.091 116.321 1.00 27.75 C +ATOM 600 C PRO A 84 73.791 61.946 115.479 1.00 27.75 C +ATOM 601 O PRO A 84 74.139 62.122 114.317 1.00 27.75 O +ATOM 602 CB PRO A 84 71.772 63.190 116.247 1.00 45.90 C +ATOM 603 CG PRO A 84 71.528 64.639 116.479 1.00 45.90 C +ATOM 604 CD PRO A 84 72.543 65.275 115.620 1.00 45.90 C +ATOM 605 N PHE A 85 73.864 60.754 116.037 1.00 37.89 N +ATOM 606 CA PHE A 85 74.325 59.655 115.197 1.00 37.89 C +ATOM 607 C PHE A 85 73.103 59.097 114.510 1.00 37.89 C +ATOM 608 O PHE A 85 72.052 58.995 115.132 1.00 37.89 O +ATOM 609 CB PHE A 85 74.995 58.554 116.028 1.00 26.62 C +ATOM 610 CG PHE A 85 76.406 58.859 116.407 1.00 26.62 C +ATOM 611 CD1 PHE A 85 77.360 59.050 115.437 1.00 26.62 C +ATOM 612 CD2 PHE A 85 76.778 58.929 117.737 1.00 26.62 C +ATOM 613 CE1 PHE A 85 78.654 59.299 115.787 1.00 26.62 C +ATOM 614 CE2 PHE A 85 78.074 59.182 118.100 1.00 26.62 C +ATOM 615 CZ PHE A 85 79.016 59.365 117.131 1.00 26.62 C +ATOM 616 N HIS A 86 73.226 58.742 113.242 1.00 35.77 N +ATOM 617 CA HIS A 86 72.089 58.187 112.539 1.00 35.77 C +ATOM 618 C HIS A 86 71.326 57.085 113.315 1.00 35.77 C +ATOM 619 O HIS A 86 71.898 56.094 113.786 1.00 35.77 O +ATOM 620 CB HIS A 86 72.516 57.684 111.152 1.00 59.55 C +ATOM 621 CG HIS A 86 72.600 58.771 110.125 1.00 59.55 C +ATOM 622 ND1 HIS A 86 71.487 59.436 109.660 1.00 59.55 N +ATOM 623 CD2 HIS A 86 73.667 59.364 109.535 1.00 59.55 C +ATOM 624 CE1 HIS A 86 71.864 60.398 108.834 1.00 59.55 C +ATOM 625 NE2 HIS A 86 73.182 60.375 108.742 1.00 59.55 N +ATOM 626 N ASP A 87 70.017 57.307 113.442 1.00 93.42 N +ATOM 627 CA ASP A 87 69.103 56.417 114.145 1.00 93.42 C +ATOM 628 C ASP A 87 68.340 55.523 113.175 1.00 93.42 C +ATOM 629 O ASP A 87 67.732 54.539 113.598 1.00 93.42 O +ATOM 630 CB ASP A 87 68.107 57.244 114.981 1.00 95.15 C +ATOM 631 CG ASP A 87 67.679 58.554 114.282 1.00 95.15 C +ATOM 632 OD1 ASP A 87 67.191 58.490 113.129 1.00 95.15 O +ATOM 633 OD2 ASP A 87 67.827 59.654 114.885 1.00 95.15 O +ATOM 634 N GLN A 88 68.373 55.871 111.881 1.00 76.63 N +ATOM 635 CA GLN A 88 67.682 55.104 110.822 1.00 76.63 C +ATOM 636 C GLN A 88 68.611 54.062 110.166 1.00 76.63 C +ATOM 637 O GLN A 88 69.511 54.406 109.409 1.00 76.63 O +ATOM 638 CB GLN A 88 67.125 56.058 109.736 1.00 95.15 C +ATOM 639 CG GLN A 88 65.890 56.913 110.141 1.00 95.15 C +ATOM 640 CD GLN A 88 65.450 57.939 109.058 1.00 95.15 C +ATOM 641 OE1 GLN A 88 65.086 57.563 107.930 1.00 95.15 O +ATOM 642 NE2 GLN A 88 65.481 59.237 109.412 1.00 95.15 N +ATOM 643 N PRO A 89 68.384 52.771 110.447 1.00 92.86 N +ATOM 644 CA PRO A 89 69.132 51.603 109.953 1.00 92.86 C +ATOM 645 C PRO A 89 69.812 51.654 108.574 1.00 92.86 C +ATOM 646 O PRO A 89 71.014 51.407 108.466 1.00 92.86 O +ATOM 647 CB PRO A 89 68.097 50.485 110.042 1.00 85.63 C +ATOM 648 CG PRO A 89 67.407 50.820 111.336 1.00 85.63 C +ATOM 649 CD PRO A 89 67.222 52.341 111.248 1.00 85.63 C +ATOM 650 N HIS A 90 69.052 51.953 107.524 1.00 95.15 N +ATOM 651 CA HIS A 90 69.613 52.002 106.171 1.00 95.15 C +ATOM 652 C HIS A 90 70.548 53.190 105.943 1.00 95.15 C +ATOM 653 O HIS A 90 71.248 53.248 104.930 1.00 95.15 O +ATOM 654 CB HIS A 90 68.483 52.004 105.118 1.00 95.15 C +ATOM 655 CG HIS A 90 67.573 53.201 105.183 1.00 95.15 C +ATOM 656 ND1 HIS A 90 67.931 54.442 104.693 1.00 95.15 N +ATOM 657 CD2 HIS A 90 66.311 53.338 105.662 1.00 95.15 C +ATOM 658 CE1 HIS A 90 66.930 55.289 104.865 1.00 95.15 C +ATOM 659 NE2 HIS A 90 65.935 54.644 105.451 1.00 95.15 N +ATOM 660 N LEU A 91 70.557 54.132 106.887 1.00 65.18 N +ATOM 661 CA LEU A 91 71.416 55.319 106.802 1.00 65.18 C +ATOM 662 C LEU A 91 72.650 55.201 107.730 1.00 65.18 C +ATOM 663 O LEU A 91 73.692 55.812 107.461 1.00 65.18 O +ATOM 664 CB LEU A 91 70.600 56.591 107.119 1.00 63.91 C +ATOM 665 CG LEU A 91 70.776 57.710 106.074 1.00 63.91 C +ATOM 666 CD1 LEU A 91 70.575 57.114 104.676 1.00 63.91 C +ATOM 667 CD2 LEU A 91 69.814 58.889 106.333 1.00 63.91 C +ATOM 668 N LYS A 92 72.525 54.417 108.808 1.00 49.44 N +ATOM 669 CA LYS A 92 73.641 54.189 109.724 1.00 49.44 C +ATOM 670 C LYS A 92 74.842 53.761 108.861 1.00 49.44 C +ATOM 671 O LYS A 92 74.689 52.911 107.959 1.00 49.44 O +ATOM 672 CB LYS A 92 73.344 53.041 110.707 1.00 72.54 C +ATOM 673 CG LYS A 92 72.243 53.270 111.733 1.00 72.54 C +ATOM 674 CD LYS A 92 72.088 52.051 112.691 1.00 72.54 C +ATOM 675 CE LYS A 92 71.074 52.338 113.821 1.00 72.54 C +ATOM 676 NZ LYS A 92 71.099 51.345 114.935 1.00 72.54 N +ATOM 677 N ARG A 93 76.018 54.342 109.142 1.00 63.27 N +ATOM 678 CA ARG A 93 77.272 54.044 108.428 1.00 63.27 C +ATOM 679 C ARG A 93 78.405 54.162 109.459 1.00 63.27 C +ATOM 680 O ARG A 93 78.502 55.153 110.179 1.00 63.27 O +ATOM 681 CB ARG A 93 77.467 55.042 107.258 1.00 89.21 C +ATOM 682 CG ARG A 93 78.671 54.785 106.295 1.00 89.21 C +ATOM 683 CD ARG A 93 80.066 55.268 106.859 1.00 89.21 C +ATOM 684 NE ARG A 93 80.377 56.700 106.655 1.00 89.21 N +ATOM 685 CZ ARG A 93 81.340 57.370 107.292 1.00 89.21 C +ATOM 686 NH1 ARG A 93 82.097 56.759 108.183 1.00 89.21 N +ATOM 687 NH2 ARG A 93 81.548 58.651 107.039 1.00 89.21 N +ATOM 688 N LYS A 94 79.246 53.139 109.537 1.00 48.07 N +ATOM 689 CA LYS A 94 80.355 53.131 110.489 1.00 48.07 C +ATOM 690 C LYS A 94 81.707 53.119 109.752 1.00 48.07 C +ATOM 691 O LYS A 94 81.733 53.010 108.528 1.00 48.07 O +ATOM 692 CB LYS A 94 80.243 51.881 111.361 1.00 76.37 C +ATOM 693 CG LYS A 94 80.214 52.102 112.854 1.00 76.37 C +ATOM 694 CD LYS A 94 80.197 50.753 113.531 1.00 76.37 C +ATOM 695 CE LYS A 94 80.553 50.867 114.995 1.00 76.37 C +ATOM 696 NZ LYS A 94 80.636 49.543 115.715 1.00 76.37 N +ATOM 697 N ALA A 95 82.817 53.219 110.490 1.00 23.97 N +ATOM 698 CA ALA A 95 84.176 53.195 109.911 1.00 23.97 C +ATOM 699 C ALA A 95 85.266 53.116 110.958 1.00 23.97 C +ATOM 700 O ALA A 95 85.194 53.845 111.950 1.00 23.97 O +ATOM 701 CB ALA A 95 84.414 54.426 109.111 1.00 8.27 C +ATOM 702 N PHE A 96 86.275 52.265 110.738 1.00 25.15 N +ATOM 703 CA PHE A 96 87.401 52.154 111.675 1.00 25.15 C +ATOM 704 C PHE A 96 88.736 52.757 111.191 1.00 25.15 C +ATOM 705 O PHE A 96 89.190 52.441 110.091 1.00 25.15 O +ATOM 706 CB PHE A 96 87.661 50.711 112.030 1.00 66.07 C +ATOM 707 CG PHE A 96 86.909 50.250 113.214 1.00 66.07 C +ATOM 708 CD1 PHE A 96 85.568 49.862 113.102 1.00 66.07 C +ATOM 709 CD2 PHE A 96 87.542 50.153 114.450 1.00 66.07 C +ATOM 710 CE1 PHE A 96 84.857 49.370 114.210 1.00 66.07 C +ATOM 711 CE2 PHE A 96 86.843 49.659 115.576 1.00 66.07 C +ATOM 712 CZ PHE A 96 85.499 49.265 115.455 1.00 66.07 C +ATOM 713 N CYS A 97 89.364 53.622 111.990 1.00 14.58 N +ATOM 714 CA CYS A 97 90.654 54.155 111.591 1.00 14.58 C +ATOM 715 C CYS A 97 91.758 54.261 112.607 1.00 14.58 C +ATOM 716 O CYS A 97 91.590 54.175 113.839 1.00 14.58 O +ATOM 717 CB CYS A 97 90.553 55.533 111.043 1.00 19.00 C +ATOM 718 SG CYS A 97 89.119 55.761 110.023 1.00 19.00 S +ATOM 719 N SER A 98 92.923 54.516 112.050 1.00 22.97 N +ATOM 720 CA SER A 98 94.092 54.706 112.858 1.00 22.97 C +ATOM 721 C SER A 98 94.682 55.954 112.261 1.00 22.97 C +ATOM 722 O SER A 98 94.905 56.048 111.065 1.00 22.97 O +ATOM 723 CB SER A 98 95.028 53.521 112.729 1.00 25.22 C +ATOM 724 OG SER A 98 94.309 52.333 112.986 1.00 25.22 O +ATOM 725 N PHE A 99 94.872 56.936 113.113 1.00 16.73 N +ATOM 726 CA PHE A 99 95.428 58.175 112.693 1.00 16.73 C +ATOM 727 C PHE A 99 96.724 58.314 113.449 1.00 16.73 C +ATOM 728 O PHE A 99 96.874 57.783 114.569 1.00 16.73 O +ATOM 729 CB PHE A 99 94.502 59.295 113.094 1.00 17.73 C +ATOM 730 CG PHE A 99 93.177 59.254 112.416 1.00 17.73 C +ATOM 731 CD1 PHE A 99 93.090 59.328 111.032 1.00 17.73 C +ATOM 732 CD2 PHE A 99 92.000 59.207 113.165 1.00 17.73 C +ATOM 733 CE1 PHE A 99 91.837 59.359 110.409 1.00 17.73 C +ATOM 734 CE2 PHE A 99 90.767 59.238 112.550 1.00 17.73 C +ATOM 735 CZ PHE A 99 90.680 59.315 111.169 1.00 17.73 C +ATOM 736 N GLN A 100 97.670 58.999 112.818 1.00 23.24 N +ATOM 737 CA GLN A 100 98.950 59.278 113.437 1.00 23.24 C +ATOM 738 C GLN A 100 99.054 60.767 113.269 1.00 23.24 C +ATOM 739 O GLN A 100 99.070 61.231 112.144 1.00 23.24 O +ATOM 740 CB GLN A 100 100.111 58.610 112.702 1.00 19.36 C +ATOM 741 CG GLN A 100 101.384 59.040 113.340 1.00 19.36 C +ATOM 742 CD GLN A 100 102.603 58.228 112.990 1.00 19.36 C +ATOM 743 OE1 GLN A 100 102.606 56.965 113.035 1.00 19.36 O +ATOM 744 NE2 GLN A 100 103.692 58.957 112.676 1.00 19.36 N +ATOM 745 N ILE A 101 99.106 61.522 114.356 1.00 11.49 N +ATOM 746 CA ILE A 101 99.170 62.970 114.226 1.00 11.49 C +ATOM 747 C ILE A 101 100.441 63.489 114.808 1.00 11.49 C +ATOM 748 O ILE A 101 100.798 63.100 115.924 1.00 11.49 O +ATOM 749 CB ILE A 101 98.058 63.651 114.986 1.00 6.15 C +ATOM 750 CG1 ILE A 101 96.695 63.184 114.478 1.00 6.15 C +ATOM 751 CG2 ILE A 101 98.183 65.132 114.827 1.00 6.15 C +ATOM 752 CD1 ILE A 101 96.238 61.883 114.963 1.00 6.15 C +ATOM 753 N TYR A 102 101.128 64.365 114.077 1.00 24.78 N +ATOM 754 CA TYR A 102 102.387 64.934 114.562 1.00 24.78 C +ATOM 755 C TYR A 102 102.085 66.307 115.091 1.00 24.78 C +ATOM 756 O TYR A 102 101.469 67.128 114.383 1.00 24.78 O +ATOM 757 CB TYR A 102 103.380 65.087 113.438 1.00 37.44 C +ATOM 758 CG TYR A 102 104.716 65.592 113.900 1.00 37.44 C +ATOM 759 CD1 TYR A 102 105.648 64.721 114.467 1.00 37.44 C +ATOM 760 CD2 TYR A 102 105.067 66.923 113.757 1.00 37.44 C +ATOM 761 CE1 TYR A 102 106.908 65.153 114.873 1.00 37.44 C +ATOM 762 CE2 TYR A 102 106.322 67.382 114.167 1.00 37.44 C +ATOM 763 CZ TYR A 102 107.244 66.483 114.720 1.00 37.44 C +ATOM 764 OH TYR A 102 108.522 66.888 115.077 1.00 37.44 O +ATOM 765 N ALA A 103 102.516 66.583 116.318 1.00 39.93 N +ATOM 766 CA ALA A 103 102.249 67.892 116.913 1.00 39.93 C +ATOM 767 C ALA A 103 103.423 68.575 117.616 1.00 39.93 C +ATOM 768 O ALA A 103 104.054 68.012 118.523 1.00 39.93 O +ATOM 769 CB ALA A 103 101.072 67.797 117.878 1.00 8.55 C +ATOM 770 N VAL A 104 103.678 69.813 117.192 1.00 38.40 N +ATOM 771 CA VAL A 104 104.730 70.665 117.743 1.00 38.40 C +ATOM 772 C VAL A 104 104.000 71.762 118.487 1.00 38.40 C +ATOM 773 O VAL A 104 103.807 72.835 117.956 1.00 38.40 O +ATOM 774 CB VAL A 104 105.570 71.315 116.628 1.00 32.85 C +ATOM 775 CG1 VAL A 104 106.890 70.564 116.430 1.00 32.85 C +ATOM 776 CG2 VAL A 104 104.783 71.290 115.332 1.00 32.85 C +ATOM 777 N PRO A 105 103.590 71.501 119.734 1.00 58.64 N +ATOM 778 CA PRO A 105 102.866 72.451 120.577 1.00 58.64 C +ATOM 779 C PRO A 105 103.376 73.882 120.516 1.00 58.64 C +ATOM 780 O PRO A 105 102.573 74.805 120.424 1.00 58.64 O +ATOM 781 CB PRO A 105 102.991 71.848 121.968 1.00 51.53 C +ATOM 782 CG PRO A 105 103.063 70.394 121.686 1.00 51.53 C +ATOM 783 CD PRO A 105 103.977 70.312 120.506 1.00 51.53 C +ATOM 784 N TRP A 106 104.688 74.084 120.569 1.00 66.10 N +ATOM 785 CA TRP A 106 105.199 75.443 120.506 1.00 66.10 C +ATOM 786 C TRP A 106 104.646 76.143 119.265 1.00 66.10 C +ATOM 787 O TRP A 106 103.836 77.068 119.388 1.00 66.10 O +ATOM 788 CB TRP A 106 106.736 75.454 120.500 1.00 95.15 C +ATOM 789 CG TRP A 106 107.396 75.084 119.192 1.00 95.15 C +ATOM 790 CD1 TRP A 106 107.129 73.991 118.409 1.00 95.15 C +ATOM 791 CD2 TRP A 106 108.481 75.772 118.556 1.00 95.15 C +ATOM 792 NE1 TRP A 106 107.979 73.957 117.333 1.00 95.15 N +ATOM 793 CE2 TRP A 106 108.819 75.038 117.397 1.00 95.15 C +ATOM 794 CE3 TRP A 106 109.204 76.940 118.855 1.00 95.15 C +ATOM 795 CZ2 TRP A 106 109.857 75.427 116.534 1.00 95.15 C +ATOM 796 CZ3 TRP A 106 110.246 77.331 117.993 1.00 95.15 C +ATOM 797 CH2 TRP A 106 110.557 76.573 116.847 1.00 95.15 C +ATOM 798 N GLN A 107 105.072 75.691 118.083 1.00 64.85 N +ATOM 799 CA GLN A 107 104.634 76.257 116.815 1.00 64.85 C +ATOM 800 C GLN A 107 103.109 76.178 116.687 1.00 64.85 C +ATOM 801 O GLN A 107 102.537 76.783 115.787 1.00 64.85 O +ATOM 802 CB GLN A 107 105.306 75.526 115.633 1.00 92.11 C +ATOM 803 CG GLN A 107 106.561 76.207 115.049 1.00 92.11 C +ATOM 804 CD GLN A 107 107.182 75.438 113.851 1.00 92.11 C +ATOM 805 OE1 GLN A 107 106.470 74.935 112.964 1.00 92.11 O +ATOM 806 NE2 GLN A 107 108.515 75.364 113.824 1.00 92.11 N +ATOM 807 N GLY A 108 102.457 75.447 117.594 1.00 76.23 N +ATOM 808 CA GLY A 108 101.004 75.306 117.565 1.00 76.23 C +ATOM 809 C GLY A 108 100.431 74.677 116.297 1.00 76.23 C +ATOM 810 O GLY A 108 99.501 75.213 115.694 1.00 76.23 O +ATOM 811 N THR A 109 100.961 73.529 115.892 1.00 69.74 N +ATOM 812 CA THR A 109 100.487 72.889 114.674 1.00 69.74 C +ATOM 813 C THR A 109 100.389 71.361 114.737 1.00 69.74 C +ATOM 814 O THR A 109 101.078 70.716 115.532 1.00 69.74 O +ATOM 815 CB THR A 109 101.399 73.270 113.506 1.00 52.10 C +ATOM 816 OG1 THR A 109 102.696 72.676 113.678 1.00 52.10 O +ATOM 817 CG2 THR A 109 101.541 74.772 113.446 1.00 52.10 C +ATOM 818 N MET A 110 99.523 70.792 113.897 1.00 31.07 N +ATOM 819 CA MET A 110 99.351 69.347 113.841 1.00 31.07 C +ATOM 820 C MET A 110 99.162 69.000 112.386 1.00 31.07 C +ATOM 821 O MET A 110 98.625 69.799 111.642 1.00 31.07 O +ATOM 822 CB MET A 110 98.074 68.914 114.574 1.00 27.51 C +ATOM 823 CG MET A 110 97.845 69.566 115.893 1.00 27.51 C +ATOM 824 SD MET A 110 96.597 68.747 116.885 1.00 27.51 S +ATOM 825 CE MET A 110 95.183 69.687 116.434 1.00 27.51 C +ATOM 826 N THR A 111 99.606 67.832 111.959 1.00 30.72 N +ATOM 827 CA THR A 111 99.362 67.415 110.582 1.00 30.72 C +ATOM 828 C THR A 111 99.155 65.915 110.701 1.00 30.72 C +ATOM 829 O THR A 111 99.694 65.261 111.622 1.00 30.72 O +ATOM 830 CB THR A 111 100.551 67.674 109.629 1.00 29.16 C +ATOM 831 OG1 THR A 111 101.407 66.533 109.607 1.00 29.16 O +ATOM 832 CG2 THR A 111 101.365 68.858 110.100 1.00 29.16 C +ATOM 833 N LEU A 112 98.378 65.360 109.783 1.00 6.93 N +ATOM 834 CA LEU A 112 98.095 63.938 109.813 1.00 6.93 C +ATOM 835 C LEU A 112 99.197 63.111 109.126 1.00 6.93 C +ATOM 836 O LEU A 112 99.138 62.837 107.941 1.00 6.93 O +ATOM 837 CB LEU A 112 96.731 63.760 109.168 1.00 6.15 C +ATOM 838 CG LEU A 112 95.933 62.466 109.228 1.00 6.15 C +ATOM 839 CD1 LEU A 112 96.048 61.851 110.554 1.00 6.15 C +ATOM 840 CD2 LEU A 112 94.494 62.760 108.907 1.00 6.15 C +ATOM 841 N SER A 113 100.219 62.738 109.878 1.00 24.18 N +ATOM 842 CA SER A 113 101.294 61.934 109.336 1.00 24.18 C +ATOM 843 C SER A 113 100.802 60.777 108.501 1.00 24.18 C +ATOM 844 O SER A 113 101.458 60.361 107.553 1.00 24.18 O +ATOM 845 CB SER A 113 102.143 61.330 110.439 1.00 43.03 C +ATOM 846 OG SER A 113 103.087 62.254 110.930 1.00 43.03 O +ATOM 847 N LYS A 114 99.661 60.208 108.849 1.00 25.53 N +ATOM 848 CA LYS A 114 99.162 59.068 108.081 1.00 25.53 C +ATOM 849 C LYS A 114 97.866 58.581 108.673 1.00 25.53 C +ATOM 850 O LYS A 114 97.543 58.881 109.810 1.00 25.53 O +ATOM 851 CB LYS A 114 100.197 57.946 108.081 1.00 20.90 C +ATOM 852 CG LYS A 114 100.839 57.764 109.427 1.00 20.90 C +ATOM 853 CD LYS A 114 101.879 56.664 109.463 1.00 20.90 C +ATOM 854 CE LYS A 114 103.149 57.032 108.737 1.00 20.90 C +ATOM 855 NZ LYS A 114 104.187 56.102 109.228 1.00 20.90 N +ATOM 856 N SER A 115 97.116 57.844 107.882 1.00 28.34 N +ATOM 857 CA SER A 115 95.840 57.348 108.318 1.00 28.34 C +ATOM 858 C SER A 115 95.516 56.115 107.523 1.00 28.34 C +ATOM 859 O SER A 115 96.036 55.906 106.415 1.00 28.34 O +ATOM 860 CB SER A 115 94.750 58.382 108.084 1.00 16.98 C +ATOM 861 OG SER A 115 94.420 58.443 106.714 1.00 16.98 O +ATOM 862 N THR A 116 94.646 55.300 108.095 1.00 29.16 N +ATOM 863 CA THR A 116 94.234 54.059 107.498 1.00 29.16 C +ATOM 864 C THR A 116 92.832 53.914 108.034 1.00 29.16 C +ATOM 865 O THR A 116 92.595 54.118 109.223 1.00 29.16 O +ATOM 866 CB THR A 116 95.083 52.894 108.041 1.00 29.11 C +ATOM 867 OG1 THR A 116 96.469 53.222 107.993 1.00 29.11 O +ATOM 868 CG2 THR A 116 94.866 51.659 107.223 1.00 29.11 C +ATOM 869 N CYS A 117 91.894 53.567 107.181 1.00 22.12 N +ATOM 870 CA CYS A 117 90.527 53.403 107.644 1.00 22.12 C +ATOM 871 C CYS A 117 89.963 52.238 106.921 1.00 22.12 C +ATOM 872 O CYS A 117 90.297 52.062 105.769 1.00 22.12 O +ATOM 873 CB CYS A 117 89.678 54.577 107.240 1.00 32.59 C +ATOM 874 SG CYS A 117 89.881 56.116 108.165 1.00 32.59 S +ATOM 875 N GLN A 118 89.116 51.440 107.559 1.00 29.04 N +ATOM 876 CA GLN A 118 88.490 50.335 106.849 1.00 29.04 C +ATOM 877 C GLN A 118 87.005 50.496 107.124 1.00 29.04 C +ATOM 878 O GLN A 118 86.601 50.532 108.281 1.00 29.04 O +ATOM 879 CB GLN A 118 89.059 49.003 107.332 1.00 77.39 C +ATOM 880 CG GLN A 118 88.107 48.088 108.004 1.00 77.39 C +ATOM 881 CD GLN A 118 88.750 47.447 109.210 1.00 77.39 C +ATOM 882 OE1 GLN A 118 88.126 46.645 109.933 1.00 77.39 O +ATOM 883 NE2 GLN A 118 90.013 47.801 109.448 1.00 77.39 N +ATOM 884 N ASP A 119 86.212 50.678 106.062 1.00 48.95 N +ATOM 885 CA ASP A 119 84.743 50.852 106.150 1.00 48.95 C +ATOM 886 C ASP A 119 84.120 49.598 106.783 1.00 48.95 C +ATOM 887 O ASP A 119 84.225 48.500 106.240 1.00 48.95 O +ATOM 888 CB ASP A 119 84.146 51.084 104.740 1.00 65.15 C +ATOM 889 CG ASP A 119 84.477 52.480 104.160 1.00 65.15 C +ATOM 890 OD1 ASP A 119 84.521 52.654 102.912 1.00 65.15 O +ATOM 891 OD2 ASP A 119 84.672 53.416 104.957 1.00 65.15 O +ATOM 892 N ALA A 120 83.465 49.754 107.925 1.00 87.42 N +ATOM 893 CA ALA A 120 82.900 48.586 108.588 1.00 87.42 C +ATOM 894 C ALA A 120 81.567 48.814 109.331 1.00 87.42 C +ATOM 895 O ALA A 120 81.586 48.854 110.591 1.00 87.42 O +ATOM 896 CB ALA A 120 83.959 47.996 109.532 1.00 60.24 C +ATOM 897 OXT ALA A 120 80.521 48.946 108.632 1.00 60.24 O +TER 898 ALA A 120 +END diff --git a/bench/main_benchmark/structures/SFB_OL_DTOX_1F0LA_1DDTA/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_DTOX_1F0LA_1DDTA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..75cdc1ed3d9daf3129eb43c776513abf6a47a028 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_DTOX_1F0LA_1DDTA/state_a.pdb @@ -0,0 +1,4114 @@ +ATOM 1 N GLY A 1 -17.302 3.793 60.569 1.00 28.77 N +ATOM 2 CA GLY A 1 -18.323 3.104 59.811 1.00 28.92 C +ATOM 3 C GLY A 1 -18.919 3.998 58.738 1.00 28.46 C +ATOM 4 O GLY A 1 -18.571 5.176 58.589 1.00 29.91 O +ATOM 5 N ALA A 2 -19.837 3.450 57.963 1.00 30.02 N +ATOM 6 CA ALA A 2 -20.446 4.174 56.852 1.00 30.01 C +ATOM 7 C ALA A 2 -21.088 5.475 57.312 1.00 32.15 C +ATOM 8 O ALA A 2 -21.015 6.486 56.612 1.00 30.67 O +ATOM 9 CB ALA A 2 -21.476 3.284 56.162 1.00 24.93 C +ATOM 10 N ASP A 3 -21.716 5.473 58.491 1.00 33.30 N +ATOM 11 CA ASP A 3 -22.451 6.652 58.943 1.00 35.35 C +ATOM 12 C ASP A 3 -21.493 7.775 59.337 1.00 35.04 C +ATOM 13 O ASP A 3 -21.943 8.902 59.575 1.00 33.83 O +ATOM 14 CB ASP A 3 -23.412 6.341 60.086 1.00 39.25 C +ATOM 15 CG ASP A 3 -22.968 5.261 61.039 1.00 43.95 C +ATOM 16 OD1 ASP A 3 -21.980 4.535 60.793 1.00 45.45 O +ATOM 17 OD2 ASP A 3 -23.645 5.134 62.093 1.00 53.87 O +ATOM 18 N ASP A 4 -20.201 7.460 59.372 1.00 33.68 N +ATOM 19 CA ASP A 4 -19.167 8.469 59.550 1.00 33.63 C +ATOM 20 C ASP A 4 -18.923 9.255 58.262 1.00 31.57 C +ATOM 21 O ASP A 4 -18.559 10.431 58.281 1.00 37.30 O +ATOM 22 CB ASP A 4 -17.867 7.826 60.047 1.00 36.23 C +ATOM 23 CG ASP A 4 -18.036 7.223 61.434 1.00 40.63 C +ATOM 24 OD1 ASP A 4 -18.359 7.983 62.376 1.00 46.89 O +ATOM 25 OD2 ASP A 4 -17.859 5.996 61.597 1.00 38.34 O +ATOM 26 N VAL A 5 -19.118 8.644 57.093 1.00 27.85 N +ATOM 27 CA VAL A 5 -18.797 9.370 55.862 1.00 25.98 C +ATOM 28 C VAL A 5 -19.996 9.406 54.895 1.00 24.67 C +ATOM 29 O VAL A 5 -19.881 10.091 53.871 1.00 25.64 O +ATOM 30 CB VAL A 5 -17.614 8.810 55.068 1.00 24.55 C +ATOM 31 CG1 VAL A 5 -16.271 9.046 55.754 1.00 25.20 C +ATOM 32 CG2 VAL A 5 -17.814 7.319 54.831 1.00 23.88 C +ATOM 33 N VAL A 6 -21.085 8.708 55.165 1.00 22.64 N +ATOM 34 CA VAL A 6 -22.241 8.791 54.274 1.00 21.03 C +ATOM 35 C VAL A 6 -23.378 9.664 54.811 1.00 23.74 C +ATOM 36 O VAL A 6 -23.758 9.546 55.981 1.00 22.79 O +ATOM 37 CB VAL A 6 -22.818 7.389 54.016 1.00 22.40 C +ATOM 38 CG1 VAL A 6 -24.077 7.450 53.170 1.00 20.87 C +ATOM 39 CG2 VAL A 6 -21.766 6.514 53.334 1.00 20.46 C +ATOM 40 N ASP A 7 -23.946 10.522 53.982 1.00 22.37 N +ATOM 41 CA ASP A 7 -25.143 11.292 54.321 1.00 22.67 C +ATOM 42 C ASP A 7 -26.359 10.526 53.818 1.00 22.28 C +ATOM 43 O ASP A 7 -26.675 10.503 52.633 1.00 20.84 O +ATOM 44 CB ASP A 7 -25.098 12.693 53.721 1.00 24.82 C +ATOM 45 CG ASP A 7 -26.248 13.568 54.154 1.00 25.37 C +ATOM 46 OD1 ASP A 7 -27.205 13.059 54.772 1.00 27.46 O +ATOM 47 OD2 ASP A 7 -26.206 14.793 53.873 1.00 31.59 O +ATOM 48 N SER A 8 -27.034 9.853 54.766 1.00 22.94 N +ATOM 49 CA SER A 8 -28.160 9.020 54.388 1.00 23.33 C +ATOM 50 C SER A 8 -29.310 9.831 53.811 1.00 21.00 C +ATOM 51 O SER A 8 -30.128 9.282 53.069 1.00 26.05 O +ATOM 52 CB SER A 8 -28.647 8.187 55.588 1.00 24.07 C +ATOM 53 OG SER A 8 -29.067 9.080 56.630 1.00 33.90 O +ATOM 54 N SER A 9 -29.400 11.134 54.145 1.00 23.66 N +ATOM 55 CA SER A 9 -30.513 11.977 53.739 1.00 23.03 C +ATOM 56 C SER A 9 -30.411 12.361 52.267 1.00 21.10 C +ATOM 57 O SER A 9 -31.371 12.818 51.667 1.00 21.55 O +ATOM 58 CB SER A 9 -30.575 13.275 54.569 1.00 24.21 C +ATOM 59 OG SER A 9 -29.492 14.141 54.240 1.00 31.30 O +ATOM 60 N LYS A 10 -29.203 12.163 51.761 1.00 21.92 N +ATOM 61 CA LYS A 10 -28.875 12.496 50.376 1.00 20.18 C +ATOM 62 C LYS A 10 -28.530 11.250 49.568 1.00 17.26 C +ATOM 63 O LYS A 10 -28.109 11.363 48.416 1.00 18.86 O +ATOM 64 CB LYS A 10 -27.748 13.522 50.353 1.00 20.56 C +ATOM 65 CG LYS A 10 -27.949 14.853 51.050 1.00 21.91 C +ATOM 66 CD LYS A 10 -26.812 15.780 50.646 1.00 27.20 C +ATOM 67 CE LYS A 10 -26.870 17.182 51.224 1.00 29.50 C +ATOM 68 NZ LYS A 10 -25.547 17.859 51.011 1.00 29.48 N +ATOM 69 N SER A 11 -28.738 10.082 50.175 1.00 16.52 N +ATOM 70 CA SER A 11 -28.449 8.786 49.559 1.00 17.35 C +ATOM 71 C SER A 11 -29.720 8.012 49.291 1.00 20.20 C +ATOM 72 O SER A 11 -30.612 7.985 50.122 1.00 18.12 O +ATOM 73 CB SER A 11 -27.518 7.986 50.454 1.00 16.14 C +ATOM 74 OG SER A 11 -26.269 8.634 50.705 1.00 17.10 O +ATOM 75 N PHE A 12 -29.831 7.414 48.106 1.00 18.62 N +ATOM 76 CA PHE A 12 -31.088 6.820 47.701 1.00 18.28 C +ATOM 77 C PHE A 12 -30.888 5.940 46.475 1.00 19.26 C +ATOM 78 O PHE A 12 -29.895 6.116 45.745 1.00 17.76 O +ATOM 79 CB PHE A 12 -32.082 7.948 47.397 1.00 19.19 C +ATOM 80 CG PHE A 12 -31.561 8.894 46.319 1.00 18.40 C +ATOM 81 CD1 PHE A 12 -31.806 8.696 44.976 1.00 20.95 C +ATOM 82 CD2 PHE A 12 -30.826 9.996 46.713 1.00 20.02 C +ATOM 83 CE1 PHE A 12 -31.325 9.551 44.013 1.00 19.36 C +ATOM 84 CE2 PHE A 12 -30.347 10.867 45.748 1.00 20.55 C +ATOM 85 CZ PHE A 12 -30.603 10.661 44.412 1.00 20.45 C +ATOM 86 N VAL A 13 -31.840 5.051 46.228 1.00 17.54 N +ATOM 87 CA VAL A 13 -31.896 4.275 45.011 1.00 15.74 C +ATOM 88 C VAL A 13 -32.976 4.814 44.082 1.00 16.55 C +ATOM 89 O VAL A 13 -34.123 5.013 44.487 1.00 19.82 O +ATOM 90 CB VAL A 13 -32.141 2.786 45.309 1.00 15.60 C +ATOM 91 CG1 VAL A 13 -32.176 2.005 44.002 1.00 17.82 C +ATOM 92 CG2 VAL A 13 -31.077 2.213 46.225 1.00 20.69 C +ATOM 93 N MET A 14 -32.658 5.085 42.818 1.00 17.94 N +ATOM 94 CA MET A 14 -33.616 5.627 41.856 1.00 19.58 C +ATOM 95 C MET A 14 -33.559 4.866 40.541 1.00 19.17 C +ATOM 96 O MET A 14 -32.511 4.427 40.061 1.00 17.36 O +ATOM 97 CB MET A 14 -33.334 7.109 41.593 1.00 21.44 C +ATOM 98 CG MET A 14 -34.347 7.831 40.681 1.00 20.46 C +ATOM 99 SD MET A 14 -33.836 9.574 40.685 1.00 27.73 S +ATOM 100 CE MET A 14 -34.790 10.149 42.095 1.00 35.11 C +ATOM 101 N GLU A 15 -34.693 4.682 39.899 1.00 16.94 N +ATOM 102 CA GLU A 15 -34.819 4.099 38.587 1.00 16.30 C +ATOM 103 C GLU A 15 -34.511 5.182 37.546 1.00 18.68 C +ATOM 104 O GLU A 15 -34.938 6.329 37.652 1.00 19.14 O +ATOM 105 CB GLU A 15 -36.220 3.559 38.340 1.00 22.15 C +ATOM 106 CG GLU A 15 -36.375 2.618 37.171 1.00 25.61 C +ATOM 107 CD GLU A 15 -37.748 1.969 37.113 1.00 31.70 C +ATOM 108 OE1 GLU A 15 -38.728 2.513 37.670 1.00 30.24 O +ATOM 109 OE2 GLU A 15 -37.798 0.889 36.490 1.00 38.56 O +ATOM 110 N ASN A 16 -33.783 4.765 36.524 1.00 18.21 N +ATOM 111 CA ASN A 16 -33.434 5.608 35.396 1.00 17.95 C +ATOM 112 C ASN A 16 -32.784 6.894 35.903 1.00 16.57 C +ATOM 113 O ASN A 16 -33.126 8.014 35.524 1.00 17.03 O +ATOM 114 CB ASN A 16 -34.665 5.914 34.539 1.00 18.47 C +ATOM 115 CG ASN A 16 -35.204 4.675 33.848 1.00 19.29 C +ATOM 116 OD1 ASN A 16 -36.433 4.447 33.921 1.00 31.44 O +ATOM 117 ND2 ASN A 16 -34.392 3.871 33.217 1.00 19.21 N +ATOM 118 N PHE A 17 -31.820 6.704 36.789 1.00 16.98 N +ATOM 119 CA PHE A 17 -31.107 7.851 37.357 1.00 16.43 C +ATOM 120 C PHE A 17 -30.369 8.605 36.258 1.00 15.85 C +ATOM 121 O PHE A 17 -29.534 8.008 35.585 1.00 17.79 O +ATOM 122 CB PHE A 17 -30.114 7.372 38.418 1.00 17.87 C +ATOM 123 CG PHE A 17 -29.254 8.533 38.911 1.00 19.12 C +ATOM 124 CD1 PHE A 17 -29.782 9.563 39.657 1.00 20.83 C +ATOM 125 CD2 PHE A 17 -27.920 8.507 38.566 1.00 17.67 C +ATOM 126 CE1 PHE A 17 -28.942 10.590 40.083 1.00 20.18 C +ATOM 127 CE2 PHE A 17 -27.081 9.528 38.990 1.00 19.84 C +ATOM 128 CZ PHE A 17 -27.617 10.556 39.734 1.00 19.58 C +ATOM 129 N SER A 18 -30.674 9.880 36.072 1.00 16.08 N +ATOM 130 CA SER A 18 -30.033 10.668 35.024 1.00 19.04 C +ATOM 131 C SER A 18 -29.252 11.844 35.592 1.00 17.24 C +ATOM 132 O SER A 18 -29.516 12.328 36.699 1.00 16.71 O +ATOM 133 CB SER A 18 -31.104 11.123 34.015 1.00 19.81 C +ATOM 134 OG SER A 18 -31.953 12.062 34.641 1.00 22.58 O +ATOM 135 N SER A 19 -28.262 12.266 34.799 1.00 17.62 N +ATOM 136 CA SER A 19 -27.467 13.426 35.180 1.00 16.31 C +ATOM 137 C SER A 19 -26.836 14.013 33.913 1.00 18.28 C +ATOM 138 O SER A 19 -27.034 13.465 32.831 1.00 17.78 O +ATOM 139 CB SER A 19 -26.401 13.072 36.209 1.00 16.31 C +ATOM 140 OG SER A 19 -25.531 12.100 35.695 1.00 15.63 O +ATOM 141 N TYR A 20 -26.102 15.123 34.045 1.00 15.80 N +ATOM 142 CA TYR A 20 -25.575 15.785 32.858 1.00 16.73 C +ATOM 143 C TYR A 20 -24.061 15.861 32.806 1.00 15.91 C +ATOM 144 O TYR A 20 -23.388 15.859 33.827 1.00 15.32 O +ATOM 145 CB TYR A 20 -26.107 17.222 32.838 1.00 17.18 C +ATOM 146 CG TYR A 20 -27.609 17.308 32.801 1.00 18.08 C +ATOM 147 CD1 TYR A 20 -28.261 17.127 31.586 1.00 19.03 C +ATOM 148 CD2 TYR A 20 -28.315 17.559 33.957 1.00 18.24 C +ATOM 149 CE1 TYR A 20 -29.647 17.206 31.533 1.00 19.42 C +ATOM 150 CE2 TYR A 20 -29.694 17.634 33.900 1.00 21.58 C +ATOM 151 CZ TYR A 20 -30.341 17.457 32.687 1.00 21.92 C +ATOM 152 OH TYR A 20 -31.719 17.535 32.674 1.00 24.07 O +ATOM 153 N HIS A 21 -23.500 15.918 31.610 1.00 14.53 N +ATOM 154 CA HIS A 21 -22.066 15.952 31.377 1.00 17.17 C +ATOM 155 C HIS A 21 -21.763 16.968 30.282 1.00 18.13 C +ATOM 156 O HIS A 21 -22.328 16.922 29.188 1.00 16.16 O +ATOM 157 CB HIS A 21 -21.529 14.583 30.978 1.00 16.49 C +ATOM 158 CG HIS A 21 -20.063 14.532 30.690 1.00 16.21 C +ATOM 159 ND1 HIS A 21 -19.136 14.318 31.678 1.00 15.32 N +ATOM 160 CD2 HIS A 21 -19.372 14.616 29.539 1.00 18.40 C +ATOM 161 CE1 HIS A 21 -17.902 14.291 31.156 1.00 18.07 C +ATOM 162 NE2 HIS A 21 -18.032 14.489 29.830 1.00 17.96 N +ATOM 163 N GLY A 22 -20.892 17.912 30.608 1.00 16.72 N +ATOM 164 CA GLY A 22 -20.460 18.923 29.660 1.00 17.82 C +ATOM 165 C GLY A 22 -19.413 18.332 28.730 1.00 17.38 C +ATOM 166 O GLY A 22 -18.482 17.659 29.124 1.00 17.22 O +ATOM 167 N THR A 23 -19.618 18.558 27.429 1.00 18.17 N +ATOM 168 CA THR A 23 -18.832 17.895 26.389 1.00 17.26 C +ATOM 169 C THR A 23 -18.162 18.895 25.453 1.00 16.07 C +ATOM 170 O THR A 23 -18.791 19.892 25.092 1.00 18.53 O +ATOM 171 CB THR A 23 -19.792 16.997 25.591 1.00 18.59 C +ATOM 172 OG1 THR A 23 -20.484 16.117 26.489 1.00 18.39 O +ATOM 173 CG2 THR A 23 -19.020 16.126 24.603 1.00 20.54 C +ATOM 174 N LYS A 24 -16.923 18.634 25.096 1.00 17.43 N +ATOM 175 CA LYS A 24 -16.132 19.564 24.298 1.00 19.81 C +ATOM 176 C LYS A 24 -16.386 19.376 22.801 1.00 22.46 C +ATOM 177 O LYS A 24 -16.802 18.307 22.363 1.00 21.45 O +ATOM 178 CB LYS A 24 -14.645 19.377 24.559 1.00 22.86 C +ATOM 179 CG LYS A 24 -14.280 19.247 26.030 1.00 28.23 C +ATOM 180 CD LYS A 24 -14.460 20.566 26.735 1.00 27.75 C +ATOM 181 CE LYS A 24 -13.426 20.753 27.839 1.00 25.86 C +ATOM 182 NZ LYS A 24 -13.703 19.924 29.048 1.00 22.12 N +ATOM 183 N PRO A 25 -16.119 20.422 22.035 1.00 22.77 N +ATOM 184 CA PRO A 25 -16.330 20.312 20.577 1.00 22.38 C +ATOM 185 C PRO A 25 -15.528 19.154 20.027 1.00 23.11 C +ATOM 186 O PRO A 25 -14.380 18.967 20.428 1.00 25.88 O +ATOM 187 CB PRO A 25 -15.828 21.662 20.052 1.00 21.24 C +ATOM 188 CG PRO A 25 -16.072 22.578 21.217 1.00 23.60 C +ATOM 189 CD PRO A 25 -15.631 21.754 22.399 1.00 21.97 C +ATOM 190 N GLY A 26 -16.124 18.377 19.113 1.00 25.04 N +ATOM 191 CA GLY A 26 -15.428 17.210 18.600 1.00 24.66 C +ATOM 192 C GLY A 26 -15.900 15.909 19.230 1.00 24.99 C +ATOM 193 O GLY A 26 -15.580 14.816 18.754 1.00 23.94 O +ATOM 194 N TYR A 27 -16.661 16.038 20.318 1.00 23.24 N +ATOM 195 CA TYR A 27 -17.105 14.883 21.076 1.00 20.67 C +ATOM 196 C TYR A 27 -18.611 14.856 21.269 1.00 18.60 C +ATOM 197 O TYR A 27 -19.099 13.865 21.848 1.00 21.23 O +ATOM 198 CB TYR A 27 -16.410 14.829 22.449 1.00 19.51 C +ATOM 199 CG TYR A 27 -14.915 14.703 22.332 1.00 22.45 C +ATOM 200 CD1 TYR A 27 -14.286 13.484 22.155 1.00 23.98 C +ATOM 201 CD2 TYR A 27 -14.139 15.858 22.392 1.00 26.18 C +ATOM 202 CE1 TYR A 27 -12.916 13.381 22.040 1.00 24.74 C +ATOM 203 CE2 TYR A 27 -12.760 15.767 22.288 1.00 27.24 C +ATOM 204 CZ TYR A 27 -12.168 14.540 22.121 1.00 26.31 C +ATOM 205 OH TYR A 27 -10.800 14.461 22.009 1.00 36.11 O +ATOM 206 N VAL A 28 -19.377 15.845 20.838 1.00 19.09 N +ATOM 207 CA VAL A 28 -20.808 15.863 21.143 1.00 21.19 C +ATOM 208 C VAL A 28 -21.485 14.670 20.467 1.00 24.94 C +ATOM 209 O VAL A 28 -22.354 14.070 21.095 1.00 26.25 O +ATOM 210 CB VAL A 28 -21.509 17.171 20.761 1.00 22.91 C +ATOM 211 CG1 VAL A 28 -23.007 17.085 20.998 1.00 26.71 C +ATOM 212 CG2 VAL A 28 -20.879 18.326 21.540 1.00 27.45 C +ATOM 213 N ASP A 29 -21.065 14.355 19.248 1.00 24.17 N +ATOM 214 CA ASP A 29 -21.657 13.213 18.563 1.00 24.58 C +ATOM 215 C ASP A 29 -21.107 11.894 19.082 1.00 22.07 C +ATOM 216 O ASP A 29 -21.878 10.958 19.351 1.00 27.26 O +ATOM 217 CB ASP A 29 -21.443 13.356 17.051 1.00 25.73 C +ATOM 218 CG ASP A 29 -22.296 14.492 16.511 1.00 30.25 C +ATOM 219 OD1 ASP A 29 -23.471 14.548 16.923 1.00 36.56 O +ATOM 220 OD2 ASP A 29 -21.759 15.281 15.715 1.00 37.61 O +ATOM 221 N SER A 30 -19.793 11.768 19.206 1.00 22.24 N +ATOM 222 CA SER A 30 -19.185 10.508 19.573 1.00 24.54 C +ATOM 223 C SER A 30 -19.559 10.098 20.996 1.00 23.21 C +ATOM 224 O SER A 30 -19.758 8.917 21.275 1.00 23.98 O +ATOM 225 CB SER A 30 -17.657 10.529 19.435 1.00 25.99 C +ATOM 226 OG SER A 30 -17.038 11.554 20.198 1.00 24.72 O +ATOM 227 N ILE A 31 -19.672 11.047 21.933 1.00 23.30 N +ATOM 228 CA ILE A 31 -20.067 10.629 23.281 1.00 20.88 C +ATOM 229 C ILE A 31 -21.442 9.972 23.292 1.00 21.48 C +ATOM 230 O ILE A 31 -21.699 9.164 24.183 1.00 21.59 O +ATOM 231 CB ILE A 31 -20.006 11.808 24.280 1.00 22.12 C +ATOM 232 CG1 ILE A 31 -19.867 11.361 25.739 1.00 20.41 C +ATOM 233 CG2 ILE A 31 -21.180 12.754 24.120 1.00 21.51 C +ATOM 234 CD1 ILE A 31 -19.374 12.490 26.647 1.00 17.92 C +ATOM 235 N GLN A 32 -22.332 10.254 22.344 1.00 21.54 N +ATOM 236 CA GLN A 32 -23.658 9.618 22.411 1.00 22.47 C +ATOM 237 C GLN A 32 -23.576 8.142 22.075 1.00 23.91 C +ATOM 238 O GLN A 32 -24.522 7.382 22.309 1.00 23.67 O +ATOM 239 CB GLN A 32 -24.634 10.365 21.497 1.00 25.53 C +ATOM 240 CG GLN A 32 -24.912 11.774 22.013 1.00 28.61 C +ATOM 241 CD GLN A 32 -25.728 12.619 21.069 1.00 29.13 C +ATOM 242 OE1 GLN A 32 -26.900 12.310 20.826 1.00 32.71 O +ATOM 243 NE2 GLN A 32 -25.110 13.668 20.546 1.00 28.94 N +ATOM 244 N LYS A 33 -22.441 7.689 21.557 1.00 24.02 N +ATOM 245 CA LYS A 33 -22.343 6.250 21.255 1.00 24.80 C +ATOM 246 C LYS A 33 -21.962 5.467 22.493 1.00 24.36 C +ATOM 247 O LYS A 33 -21.992 4.238 22.536 1.00 27.03 O +ATOM 248 CB LYS A 33 -21.321 5.992 20.154 1.00 28.38 C +ATOM 249 CG LYS A 33 -21.654 6.687 18.838 1.00 33.65 C +ATOM 250 CD LYS A 33 -22.944 6.168 18.240 1.00 39.72 C +ATOM 251 CE LYS A 33 -22.958 4.688 17.897 1.00 41.78 C +ATOM 252 NZ LYS A 33 -24.338 4.206 17.574 1.00 48.24 N +ATOM 253 N GLY A 34 -21.569 6.180 23.550 1.00 22.07 N +ATOM 254 CA GLY A 34 -21.250 5.477 24.774 1.00 22.22 C +ATOM 255 C GLY A 34 -20.174 6.109 25.626 1.00 22.32 C +ATOM 256 O GLY A 34 -19.233 6.678 25.079 1.00 22.82 O +ATOM 257 N ILE A 35 -20.340 5.993 26.939 1.00 20.57 N +ATOM 258 CA ILE A 35 -19.330 6.464 27.870 1.00 19.60 C +ATOM 259 C ILE A 35 -18.230 5.424 28.048 1.00 21.32 C +ATOM 260 O ILE A 35 -18.413 4.248 28.388 1.00 22.20 O +ATOM 261 CB ILE A 35 -19.963 6.809 29.229 1.00 18.12 C +ATOM 262 CG1 ILE A 35 -21.112 7.803 29.133 1.00 19.32 C +ATOM 263 CG2 ILE A 35 -18.900 7.280 30.221 1.00 20.39 C +ATOM 264 CD1 ILE A 35 -20.856 9.076 28.389 1.00 18.17 C +ATOM 265 N GLN A 36 -17.001 5.887 27.802 1.00 22.23 N +ATOM 266 CA GLN A 36 -15.814 5.064 27.787 1.00 25.39 C +ATOM 267 C GLN A 36 -14.611 5.864 28.292 1.00 23.23 C +ATOM 268 O GLN A 36 -14.400 7.013 27.930 1.00 22.08 O +ATOM 269 CB AGLN A 36 -15.557 4.549 26.366 0.56 30.43 C +ATOM 270 CB BGLN A 36 -15.561 4.501 26.384 0.44 30.42 C +ATOM 271 CG AGLN A 36 -14.147 4.076 26.094 0.56 32.51 C +ATOM 272 CG BGLN A 36 -14.450 3.489 26.272 0.44 33.13 C +ATOM 273 CD AGLN A 36 -13.893 2.654 26.560 0.56 35.64 C +ATOM 274 CD BGLN A 36 -14.787 2.064 26.649 0.44 35.80 C +ATOM 275 OE1AGLN A 36 -14.706 1.756 26.306 0.56 38.18 O +ATOM 276 OE1BGLN A 36 -15.844 1.525 26.346 0.44 40.73 O +ATOM 277 NE2AGLN A 36 -12.767 2.458 27.244 0.56 37.38 N +ATOM 278 NE2BGLN A 36 -13.859 1.394 27.340 0.44 39.10 N +ATOM 279 N LYS A 37 -13.849 5.225 29.169 1.00 23.88 N +ATOM 280 CA LYS A 37 -12.644 5.846 29.710 1.00 23.62 C +ATOM 281 C LYS A 37 -11.663 6.125 28.566 1.00 24.79 C +ATOM 282 O LYS A 37 -11.384 5.172 27.841 1.00 25.17 O +ATOM 283 CB LYS A 37 -11.991 4.938 30.732 1.00 23.19 C +ATOM 284 CG LYS A 37 -10.760 5.407 31.455 1.00 24.27 C +ATOM 285 CD LYS A 37 -10.326 4.413 32.518 1.00 26.38 C +ATOM 286 CE LYS A 37 -9.613 3.195 31.973 1.00 28.77 C +ATOM 287 NZ LYS A 37 -8.920 2.458 33.092 1.00 41.01 N +ATOM 288 N PRO A 38 -11.168 7.332 28.426 1.00 25.55 N +ATOM 289 CA PRO A 38 -10.135 7.625 27.422 1.00 27.79 C +ATOM 290 C PRO A 38 -8.861 6.827 27.689 1.00 30.74 C +ATOM 291 O PRO A 38 -8.472 6.471 28.793 1.00 29.21 O +ATOM 292 CB PRO A 38 -9.859 9.119 27.588 1.00 30.38 C +ATOM 293 CG PRO A 38 -11.105 9.656 28.238 1.00 29.65 C +ATOM 294 CD PRO A 38 -11.530 8.552 29.175 1.00 28.29 C +ATOM 295 N LYS A 39 -8.171 6.504 26.595 1.00 35.74 N +ATOM 296 CA LYS A 39 -6.994 5.643 26.765 1.00 40.74 C +ATOM 297 C LYS A 39 -5.938 6.329 27.624 1.00 42.73 C +ATOM 298 O LYS A 39 -5.205 5.672 28.364 1.00 47.51 O +ATOM 299 CB LYS A 39 -6.464 5.254 25.384 1.00 43.33 C +ATOM 300 CG LYS A 39 -7.583 4.701 24.490 1.00 47.82 C +ATOM 301 N SER A 40 -5.906 7.653 27.519 1.00 42.23 N +ATOM 302 CA SER A 40 -4.916 8.448 28.243 1.00 44.32 C +ATOM 303 C SER A 40 -5.562 9.652 28.917 1.00 42.95 C +ATOM 304 O SER A 40 -6.784 9.797 28.934 1.00 46.57 O +ATOM 305 CB SER A 40 -3.799 8.868 27.274 1.00 45.63 C +ATOM 306 OG SER A 40 -4.348 9.594 26.188 1.00 49.36 O +ATOM 307 N GLY A 41 -4.744 10.530 29.486 1.00 40.76 N +ATOM 308 CA GLY A 41 -5.231 11.683 30.210 1.00 37.99 C +ATOM 309 C GLY A 41 -5.475 11.311 31.667 1.00 35.47 C +ATOM 310 O GLY A 41 -5.161 10.210 32.118 1.00 36.29 O +ATOM 311 N THR A 42 -6.043 12.258 32.398 1.00 31.14 N +ATOM 312 CA THR A 42 -6.225 12.102 33.825 1.00 30.04 C +ATOM 313 C THR A 42 -7.465 11.278 34.134 1.00 30.08 C +ATOM 314 O THR A 42 -7.657 10.954 35.302 1.00 27.85 O +ATOM 315 CB THR A 42 -6.357 13.486 34.485 1.00 30.01 C +ATOM 316 OG1 THR A 42 -7.015 14.346 33.543 1.00 29.83 O +ATOM 317 CG2 THR A 42 -4.965 14.045 34.728 1.00 34.86 C +ATOM 318 N GLN A 43 -8.207 11.004 33.072 1.00 29.87 N +ATOM 319 CA GLN A 43 -9.379 10.149 33.126 1.00 28.92 C +ATOM 320 C GLN A 43 -10.227 10.487 34.347 1.00 24.09 C +ATOM 321 O GLN A 43 -10.522 9.600 35.120 1.00 20.14 O +ATOM 322 CB GLN A 43 -8.955 8.678 33.203 1.00 33.76 C +ATOM 323 CG GLN A 43 -8.087 8.242 32.028 1.00 35.18 C +ATOM 324 CD GLN A 43 -7.273 7.010 32.385 1.00 37.09 C +ATOM 325 OE1 GLN A 43 -6.995 6.778 33.561 1.00 37.69 O +ATOM 326 NE2 GLN A 43 -6.927 6.256 31.349 1.00 40.21 N +ATOM 327 N GLY A 44 -10.522 11.774 34.503 1.00 24.73 N +ATOM 328 CA GLY A 44 -11.378 12.202 35.592 1.00 25.07 C +ATOM 329 C GLY A 44 -10.683 12.805 36.780 1.00 23.73 C +ATOM 330 O GLY A 44 -11.284 13.652 37.460 1.00 25.83 O +ATOM 331 N ASN A 45 -9.451 12.427 37.102 1.00 22.75 N +ATOM 332 CA ASN A 45 -8.736 13.064 38.187 1.00 22.66 C +ATOM 333 C ASN A 45 -7.223 12.808 38.166 1.00 20.86 C +ATOM 334 O ASN A 45 -6.710 11.754 37.826 1.00 23.13 O +ATOM 335 CB ASN A 45 -9.192 12.574 39.572 1.00 20.80 C +ATOM 336 CG ASN A 45 -9.337 13.682 40.584 1.00 23.43 C +ATOM 337 OD1 ASN A 45 -8.465 13.964 41.410 1.00 24.36 O +ATOM 338 ND2 ASN A 45 -10.476 14.366 40.551 1.00 24.84 N +ATOM 339 N TYR A 46 -6.536 13.849 38.621 1.00 18.70 N +ATOM 340 CA TYR A 46 -5.139 13.808 39.033 1.00 18.14 C +ATOM 341 C TYR A 46 -4.851 12.676 39.997 1.00 19.82 C +ATOM 342 O TYR A 46 -3.750 12.130 40.037 1.00 19.44 O +ATOM 343 CB TYR A 46 -4.839 15.149 39.717 1.00 19.55 C +ATOM 344 CG TYR A 46 -3.493 15.322 40.364 1.00 21.15 C +ATOM 345 CD1 TYR A 46 -3.246 14.971 41.693 1.00 22.03 C +ATOM 346 CD2 TYR A 46 -2.449 15.844 39.626 1.00 26.31 C +ATOM 347 CE1 TYR A 46 -2.015 15.126 42.282 1.00 24.64 C +ATOM 348 CE2 TYR A 46 -1.198 16.013 40.191 1.00 25.49 C +ATOM 349 CZ TYR A 46 -1.001 15.656 41.502 1.00 25.98 C +ATOM 350 OH TYR A 46 0.250 15.825 42.062 1.00 30.30 O +ATOM 351 N ASP A 47 -5.820 12.381 40.865 1.00 21.23 N +ATOM 352 CA ASP A 47 -5.627 11.422 41.951 1.00 20.32 C +ATOM 353 C ASP A 47 -6.288 10.113 41.551 1.00 21.66 C +ATOM 354 O ASP A 47 -7.462 10.114 41.215 1.00 19.29 O +ATOM 355 CB ASP A 47 -6.222 11.954 43.241 1.00 18.94 C +ATOM 356 CG ASP A 47 -6.090 11.052 44.437 1.00 21.17 C +ATOM 357 OD1 ASP A 47 -5.875 9.836 44.299 1.00 20.53 O +ATOM 358 OD2 ASP A 47 -6.224 11.589 45.562 1.00 23.23 O +ATOM 359 N ASP A 48 -5.546 9.022 41.573 1.00 21.55 N +ATOM 360 CA ASP A 48 -6.071 7.738 41.117 1.00 20.23 C +ATOM 361 C ASP A 48 -7.311 7.300 41.872 1.00 19.12 C +ATOM 362 O ASP A 48 -8.202 6.675 41.293 1.00 19.38 O +ATOM 363 CB ASP A 48 -4.992 6.657 41.230 1.00 23.13 C +ATOM 364 CG ASP A 48 -3.852 6.821 40.239 1.00 26.67 C +ATOM 365 OD1 ASP A 48 -3.885 7.648 39.305 1.00 27.09 O +ATOM 366 OD2 ASP A 48 -2.866 6.074 40.414 1.00 36.22 O +ATOM 367 N ASP A 49 -7.381 7.647 43.155 1.00 18.16 N +ATOM 368 CA ASP A 49 -8.587 7.344 43.881 1.00 19.61 C +ATOM 369 C ASP A 49 -9.842 7.940 43.241 1.00 18.66 C +ATOM 370 O ASP A 49 -10.914 7.369 43.445 1.00 19.53 O +ATOM 371 CB ASP A 49 -8.513 7.899 45.315 1.00 19.98 C +ATOM 372 CG ASP A 49 -7.646 7.025 46.186 1.00 20.45 C +ATOM 373 OD1 ASP A 49 -7.958 5.829 46.209 1.00 18.82 O +ATOM 374 OD2 ASP A 49 -6.692 7.522 46.836 1.00 27.16 O +ATOM 375 N TRP A 50 -9.705 9.050 42.536 1.00 17.28 N +ATOM 376 CA TRP A 50 -10.864 9.812 42.071 1.00 16.27 C +ATOM 377 C TRP A 50 -11.056 9.694 40.564 1.00 16.88 C +ATOM 378 O TRP A 50 -11.904 10.324 39.949 1.00 17.02 O +ATOM 379 CB TRP A 50 -10.732 11.254 42.567 1.00 17.33 C +ATOM 380 CG TRP A 50 -10.883 11.386 44.049 1.00 15.52 C +ATOM 381 CD1 TRP A 50 -9.902 11.767 44.945 1.00 16.68 C +ATOM 382 CD2 TRP A 50 -12.059 11.142 44.827 1.00 15.03 C +ATOM 383 NE1 TRP A 50 -10.415 11.770 46.223 1.00 17.26 N +ATOM 384 CE2 TRP A 50 -11.745 11.389 46.174 1.00 15.97 C +ATOM 385 CE3 TRP A 50 -13.367 10.735 44.504 1.00 17.32 C +ATOM 386 CZ2 TRP A 50 -12.711 11.233 47.168 1.00 15.05 C +ATOM 387 CZ3 TRP A 50 -14.308 10.586 45.499 1.00 16.63 C +ATOM 388 CH2 TRP A 50 -13.966 10.839 46.827 1.00 17.77 C +ATOM 389 N LYS A 51 -10.281 8.812 39.912 1.00 18.72 N +ATOM 390 CA LYS A 51 -10.486 8.600 38.488 1.00 18.41 C +ATOM 391 C LYS A 51 -11.849 7.943 38.259 1.00 19.07 C +ATOM 392 O LYS A 51 -12.136 6.940 38.918 1.00 21.96 O +ATOM 393 CB LYS A 51 -9.362 7.760 37.898 1.00 20.04 C +ATOM 394 CG LYS A 51 -8.092 8.578 37.673 1.00 19.67 C +ATOM 395 CD ALYS A 51 -6.917 7.651 37.354 0.54 21.15 C +ATOM 396 CD BLYS A 51 -7.022 7.811 36.918 0.47 21.06 C +ATOM 397 CE ALYS A 51 -5.772 8.359 36.671 0.54 21.90 C +ATOM 398 CE BLYS A 51 -5.636 8.328 37.233 0.47 21.60 C +ATOM 399 NZ ALYS A 51 -5.128 9.419 37.501 0.54 22.47 N +ATOM 400 NZ BLYS A 51 -5.264 9.523 36.405 0.47 23.15 N +ATOM 401 N GLY A 52 -12.615 8.531 37.360 1.00 17.32 N +ATOM 402 CA GLY A 52 -13.949 8.104 37.012 1.00 17.65 C +ATOM 403 C GLY A 52 -14.611 9.066 36.044 1.00 17.10 C +ATOM 404 O GLY A 52 -13.992 10.052 35.615 1.00 17.88 O +ATOM 405 N PHE A 53 -15.862 8.810 35.698 1.00 14.32 N +ATOM 406 CA PHE A 53 -16.625 9.677 34.829 1.00 15.12 C +ATOM 407 C PHE A 53 -17.478 10.614 35.678 1.00 14.98 C +ATOM 408 O PHE A 53 -18.186 10.160 36.586 1.00 16.33 O +ATOM 409 CB PHE A 53 -17.470 8.844 33.884 1.00 15.53 C +ATOM 410 CG PHE A 53 -18.342 9.635 32.945 1.00 15.89 C +ATOM 411 CD1 PHE A 53 -17.847 10.312 31.852 1.00 15.04 C +ATOM 412 CD2 PHE A 53 -19.713 9.699 33.201 1.00 17.21 C +ATOM 413 CE1 PHE A 53 -18.661 11.026 31.012 1.00 16.31 C +ATOM 414 CE2 PHE A 53 -20.530 10.423 32.350 1.00 17.72 C +ATOM 415 CZ PHE A 53 -20.030 11.095 31.263 1.00 16.15 C +ATOM 416 N TYR A 54 -17.391 11.895 35.418 1.00 14.57 N +ATOM 417 CA TYR A 54 -18.013 12.941 36.200 1.00 14.40 C +ATOM 418 C TYR A 54 -19.240 13.555 35.552 1.00 15.20 C +ATOM 419 O TYR A 54 -19.311 13.907 34.383 1.00 17.36 O +ATOM 420 CB TYR A 54 -16.965 14.045 36.454 1.00 15.13 C +ATOM 421 CG TYR A 54 -15.995 13.654 37.533 1.00 14.99 C +ATOM 422 CD1 TYR A 54 -15.024 12.690 37.333 1.00 15.17 C +ATOM 423 CD2 TYR A 54 -16.070 14.274 38.783 1.00 17.51 C +ATOM 424 CE1 TYR A 54 -14.143 12.333 38.326 1.00 14.68 C +ATOM 425 CE2 TYR A 54 -15.181 13.914 39.788 1.00 15.93 C +ATOM 426 CZ TYR A 54 -14.226 12.954 39.556 1.00 16.72 C +ATOM 427 OH TYR A 54 -13.362 12.625 40.577 1.00 16.25 O +ATOM 428 N SER A 55 -20.300 13.724 36.356 1.00 14.55 N +ATOM 429 CA SER A 55 -21.521 14.345 35.870 1.00 15.35 C +ATOM 430 C SER A 55 -22.093 15.223 36.980 1.00 15.92 C +ATOM 431 O SER A 55 -21.475 15.305 38.054 1.00 17.10 O +ATOM 432 CB SER A 55 -22.504 13.291 35.387 1.00 14.30 C +ATOM 433 OG SER A 55 -22.871 12.416 36.433 1.00 15.58 O +ATOM 434 N THR A 56 -23.215 15.836 36.730 1.00 15.51 N +ATOM 435 CA THR A 56 -23.836 16.737 37.704 1.00 14.18 C +ATOM 436 C THR A 56 -25.338 16.779 37.493 1.00 16.02 C +ATOM 437 O THR A 56 -25.838 16.513 36.402 1.00 17.57 O +ATOM 438 CB THR A 56 -23.236 18.158 37.620 1.00 16.89 C +ATOM 439 OG1 THR A 56 -23.947 19.115 38.395 1.00 16.16 O +ATOM 440 CG2 THR A 56 -23.262 18.706 36.186 1.00 17.81 C +ATOM 441 N ASP A 57 -26.066 17.126 38.536 1.00 16.17 N +ATOM 442 CA ASP A 57 -27.521 17.246 38.391 1.00 18.70 C +ATOM 443 C ASP A 57 -27.925 18.484 37.622 1.00 18.42 C +ATOM 444 O ASP A 57 -29.085 18.635 37.246 1.00 20.70 O +ATOM 445 CB ASP A 57 -28.176 17.203 39.756 1.00 16.96 C +ATOM 446 CG ASP A 57 -27.983 18.415 40.637 1.00 21.85 C +ATOM 447 OD1 ASP A 57 -26.942 19.078 40.457 1.00 19.20 O +ATOM 448 OD2 ASP A 57 -28.897 18.629 41.484 1.00 22.49 O +ATOM 449 N ASN A 58 -26.990 19.409 37.387 1.00 15.32 N +ATOM 450 CA ASN A 58 -27.372 20.715 36.864 1.00 15.70 C +ATOM 451 C ASN A 58 -26.752 20.905 35.481 1.00 16.10 C +ATOM 452 O ASN A 58 -25.534 20.958 35.291 1.00 18.36 O +ATOM 453 CB ASN A 58 -26.947 21.790 37.841 1.00 16.62 C +ATOM 454 CG ASN A 58 -27.330 23.194 37.420 1.00 19.42 C +ATOM 455 OD1 ASN A 58 -27.096 23.594 36.279 1.00 17.70 O +ATOM 456 ND2 ASN A 58 -27.902 23.902 38.376 1.00 22.38 N +ATOM 457 N LYS A 59 -27.624 20.998 34.485 1.00 16.35 N +ATOM 458 CA LYS A 59 -27.190 21.077 33.100 1.00 16.68 C +ATOM 459 C LYS A 59 -26.477 22.402 32.822 1.00 15.43 C +ATOM 460 O LYS A 59 -25.681 22.450 31.896 1.00 17.00 O +ATOM 461 CB LYS A 59 -28.390 20.892 32.159 1.00 18.04 C +ATOM 462 CG LYS A 59 -29.371 22.059 32.215 1.00 19.91 C +ATOM 463 CD LYS A 59 -30.682 21.678 31.515 1.00 21.88 C +ATOM 464 CE LYS A 59 -31.656 22.833 31.509 1.00 27.63 C +ATOM 465 NZ LYS A 59 -32.911 22.491 30.758 1.00 35.67 N +ATOM 466 N TYR A 60 -26.705 23.433 33.616 1.00 15.97 N +ATOM 467 CA TYR A 60 -26.014 24.705 33.388 1.00 16.34 C +ATOM 468 C TYR A 60 -24.594 24.620 33.934 1.00 16.38 C +ATOM 469 O TYR A 60 -23.632 25.154 33.362 1.00 19.05 O +ATOM 470 CB TYR A 60 -26.795 25.841 34.025 1.00 18.46 C +ATOM 471 CG TYR A 60 -28.214 25.912 33.494 1.00 20.88 C +ATOM 472 CD1 TYR A 60 -28.437 26.140 32.145 1.00 23.70 C +ATOM 473 CD2 TYR A 60 -29.272 25.733 34.349 1.00 23.23 C +ATOM 474 CE1 TYR A 60 -29.738 26.193 31.678 1.00 26.86 C +ATOM 475 CE2 TYR A 60 -30.576 25.788 33.885 1.00 24.37 C +ATOM 476 CZ TYR A 60 -30.796 26.012 32.545 1.00 25.48 C +ATOM 477 OH TYR A 60 -32.097 26.080 32.078 1.00 26.20 O +ATOM 478 N ASP A 61 -24.447 23.891 35.032 1.00 15.51 N +ATOM 479 CA ASP A 61 -23.094 23.614 35.515 1.00 17.39 C +ATOM 480 C ASP A 61 -22.352 22.684 34.577 1.00 18.59 C +ATOM 481 O ASP A 61 -21.144 22.820 34.365 1.00 17.57 O +ATOM 482 CB ASP A 61 -23.181 23.050 36.930 1.00 17.66 C +ATOM 483 CG ASP A 61 -23.585 24.091 37.945 1.00 21.20 C +ATOM 484 OD1 ASP A 61 -22.980 25.177 37.945 1.00 19.99 O +ATOM 485 OD2 ASP A 61 -24.514 23.849 38.744 1.00 24.83 O +ATOM 486 N ALA A 62 -23.089 21.717 33.993 1.00 16.91 N +ATOM 487 CA ALA A 62 -22.421 20.853 33.021 1.00 15.74 C +ATOM 488 C ALA A 62 -21.907 21.706 31.858 1.00 15.90 C +ATOM 489 O ALA A 62 -20.801 21.506 31.351 1.00 15.46 O +ATOM 490 CB ALA A 62 -23.390 19.763 32.595 1.00 18.42 C +ATOM 491 N ALA A 63 -22.695 22.686 31.425 1.00 16.95 N +ATOM 492 CA ALA A 63 -22.289 23.530 30.310 1.00 17.73 C +ATOM 493 C ALA A 63 -20.962 24.235 30.567 1.00 19.46 C +ATOM 494 O ALA A 63 -20.274 24.531 29.597 1.00 18.33 O +ATOM 495 CB ALA A 63 -23.350 24.574 30.015 1.00 17.12 C +ATOM 496 N GLY A 64 -20.673 24.436 31.851 1.00 20.59 N +ATOM 497 CA GLY A 64 -19.416 25.092 32.189 1.00 20.69 C +ATOM 498 C GLY A 64 -18.166 24.291 31.968 1.00 21.91 C +ATOM 499 O GLY A 64 -17.033 24.759 32.178 1.00 28.28 O +ATOM 500 N TYR A 65 -18.283 23.048 31.548 1.00 19.30 N +ATOM 501 CA TYR A 65 -17.192 22.171 31.202 1.00 17.73 C +ATOM 502 C TYR A 65 -17.096 21.951 29.685 1.00 19.63 C +ATOM 503 O TYR A 65 -16.354 21.050 29.277 1.00 20.67 O +ATOM 504 CB TYR A 65 -17.380 20.794 31.811 1.00 18.07 C +ATOM 505 CG TYR A 65 -17.197 20.689 33.315 1.00 16.00 C +ATOM 506 CD1 TYR A 65 -15.935 20.466 33.841 1.00 16.15 C +ATOM 507 CD2 TYR A 65 -18.273 20.829 34.171 1.00 17.95 C +ATOM 508 CE1 TYR A 65 -15.745 20.381 35.211 1.00 15.34 C +ATOM 509 CE2 TYR A 65 -18.092 20.721 35.542 1.00 17.98 C +ATOM 510 CZ TYR A 65 -16.835 20.495 36.046 1.00 17.46 C +ATOM 511 OH TYR A 65 -16.675 20.397 37.415 1.00 18.37 O +ATOM 512 N SER A 66 -17.854 22.734 28.933 1.00 16.47 N +ATOM 513 CA SER A 66 -17.918 22.419 27.499 1.00 18.79 C +ATOM 514 C SER A 66 -16.951 23.176 26.608 1.00 20.61 C +ATOM 515 O SER A 66 -17.005 22.961 25.388 1.00 17.59 O +ATOM 516 CB SER A 66 -19.337 22.678 26.984 1.00 19.42 C +ATOM 517 OG SER A 66 -19.654 24.047 26.977 1.00 18.72 O +ATOM 518 N VAL A 67 -16.080 24.049 27.096 1.00 19.62 N +ATOM 519 CA VAL A 67 -15.254 24.848 26.184 1.00 19.00 C +ATOM 520 C VAL A 67 -13.927 24.181 25.856 1.00 19.06 C +ATOM 521 O VAL A 67 -13.239 23.670 26.736 1.00 18.29 O +ATOM 522 CB VAL A 67 -15.016 26.247 26.776 1.00 19.38 C +ATOM 523 CG1 VAL A 67 -14.126 27.090 25.861 1.00 24.61 C +ATOM 524 CG2 VAL A 67 -16.339 26.933 27.038 1.00 20.34 C +ATOM 525 N ASP A 68 -13.589 24.221 24.570 1.00 19.21 N +ATOM 526 CA ASP A 68 -12.362 23.764 23.974 1.00 22.01 C +ATOM 527 C ASP A 68 -11.173 24.018 24.888 1.00 22.28 C +ATOM 528 O ASP A 68 -10.874 25.172 25.201 1.00 22.34 O +ATOM 529 CB ASP A 68 -12.178 24.522 22.636 1.00 23.23 C +ATOM 530 CG ASP A 68 -10.835 24.250 21.994 1.00 22.48 C +ATOM 531 OD1 ASP A 68 -10.152 23.287 22.363 1.00 27.38 O +ATOM 532 OD2 ASP A 68 -10.483 25.048 21.096 1.00 27.05 O +ATOM 533 N ASN A 69 -10.512 22.988 25.372 1.00 21.95 N +ATOM 534 CA ASN A 69 -9.385 23.104 26.276 1.00 21.94 C +ATOM 535 C ASN A 69 -8.176 23.759 25.607 1.00 22.51 C +ATOM 536 O ASN A 69 -7.291 24.213 26.328 1.00 24.33 O +ATOM 537 CB ASN A 69 -8.972 21.737 26.840 1.00 25.70 C +ATOM 538 N GLU A 70 -8.131 23.843 24.279 1.00 22.27 N +ATOM 539 CA GLU A 70 -6.975 24.502 23.658 1.00 25.54 C +ATOM 540 C GLU A 70 -7.135 26.010 23.669 1.00 21.94 C +ATOM 541 O GLU A 70 -6.198 26.804 23.500 1.00 27.38 O +ATOM 542 CB GLU A 70 -6.802 24.049 22.203 1.00 26.61 C +ATOM 543 CG GLU A 70 -6.371 22.603 22.071 1.00 27.91 C +ATOM 544 CD GLU A 70 -6.020 22.285 20.626 1.00 32.02 C +ATOM 545 OE1 GLU A 70 -6.519 23.003 19.730 1.00 35.55 O +ATOM 546 OE2 GLU A 70 -5.249 21.328 20.444 1.00 41.72 O +ATOM 547 N ASN A 71 -8.360 26.451 23.850 1.00 22.16 N +ATOM 548 CA ASN A 71 -8.716 27.859 23.818 1.00 21.99 C +ATOM 549 C ASN A 71 -9.802 28.118 24.851 1.00 19.35 C +ATOM 550 O ASN A 71 -10.924 28.395 24.463 1.00 21.39 O +ATOM 551 CB ASN A 71 -9.240 28.280 22.439 1.00 22.60 C +ATOM 552 CG ASN A 71 -8.132 28.185 21.401 1.00 24.85 C +ATOM 553 OD1 ASN A 71 -7.234 29.028 21.354 1.00 26.46 O +ATOM 554 ND2 ASN A 71 -8.232 27.149 20.578 1.00 23.27 N +ATOM 555 N PRO A 72 -9.439 28.011 26.113 1.00 20.22 N +ATOM 556 CA PRO A 72 -10.461 28.005 27.160 1.00 21.59 C +ATOM 557 C PRO A 72 -11.166 29.326 27.367 1.00 26.15 C +ATOM 558 O PRO A 72 -12.324 29.374 27.785 1.00 26.55 O +ATOM 559 CB PRO A 72 -9.643 27.647 28.411 1.00 23.15 C +ATOM 560 CG PRO A 72 -8.243 28.041 28.126 1.00 23.07 C +ATOM 561 CD PRO A 72 -8.075 27.858 26.647 1.00 21.97 C +ATOM 562 N LEU A 73 -10.503 30.444 27.063 1.00 27.63 N +ATOM 563 CA LEU A 73 -11.174 31.723 27.249 1.00 26.01 C +ATOM 564 C LEU A 73 -12.074 32.124 26.100 1.00 23.55 C +ATOM 565 O LEU A 73 -13.107 32.740 26.351 1.00 31.25 O +ATOM 566 CB LEU A 73 -10.134 32.841 27.417 1.00 23.22 C +ATOM 567 CG LEU A 73 -9.072 32.651 28.486 1.00 23.91 C +ATOM 568 CD1 LEU A 73 -8.120 33.841 28.498 1.00 22.96 C +ATOM 569 CD2 LEU A 73 -9.671 32.518 29.881 1.00 27.48 C +ATOM 570 N SER A 74 -11.706 31.819 24.860 1.00 25.31 N +ATOM 571 CA SER A 74 -12.452 32.315 23.723 1.00 25.92 C +ATOM 572 C SER A 74 -12.944 31.226 22.773 1.00 27.96 C +ATOM 573 O SER A 74 -13.621 31.563 21.801 1.00 27.57 O +ATOM 574 CB SER A 74 -11.580 33.298 22.936 1.00 27.23 C +ATOM 575 OG SER A 74 -10.654 32.681 22.067 1.00 27.41 O +ATOM 576 N GLY A 75 -12.589 29.994 23.049 1.00 26.70 N +ATOM 577 CA GLY A 75 -12.830 28.849 22.195 1.00 25.76 C +ATOM 578 C GLY A 75 -14.314 28.509 22.138 1.00 25.12 C +ATOM 579 O GLY A 75 -15.183 29.020 22.849 1.00 23.68 O +ATOM 580 N LYS A 76 -14.602 27.584 21.213 1.00 22.42 N +ATOM 581 CA LYS A 76 -15.981 27.144 21.058 1.00 20.64 C +ATOM 582 C LYS A 76 -16.405 26.227 22.207 1.00 19.96 C +ATOM 583 O LYS A 76 -15.618 25.463 22.748 1.00 19.87 O +ATOM 584 CB LYS A 76 -16.183 26.377 19.741 1.00 24.54 C +ATOM 585 CG LYS A 76 -15.818 27.170 18.503 1.00 27.79 C +ATOM 586 CD LYS A 76 -16.465 28.550 18.493 1.00 33.34 C +ATOM 587 CE LYS A 76 -16.066 29.311 17.234 1.00 37.58 C +ATOM 588 NZ LYS A 76 -16.656 30.673 17.149 1.00 38.12 N +ATOM 589 N ALA A 77 -17.700 26.316 22.488 1.00 17.74 N +ATOM 590 CA ALA A 77 -18.347 25.416 23.444 1.00 20.19 C +ATOM 591 C ALA A 77 -18.999 24.248 22.707 1.00 21.48 C +ATOM 592 O ALA A 77 -19.607 24.514 21.645 1.00 21.83 O +ATOM 593 CB ALA A 77 -19.356 26.164 24.269 1.00 20.49 C +ATOM 594 N GLY A 78 -18.858 23.046 23.258 1.00 19.43 N +ATOM 595 CA GLY A 78 -19.369 21.832 22.600 1.00 20.49 C +ATOM 596 C GLY A 78 -20.845 21.648 22.870 1.00 21.74 C +ATOM 597 O GLY A 78 -21.771 22.009 22.134 1.00 21.58 O +ATOM 598 N GLY A 79 -21.162 21.074 24.023 1.00 19.23 N +ATOM 599 CA GLY A 79 -22.563 20.918 24.371 1.00 19.91 C +ATOM 600 C GLY A 79 -22.739 20.207 25.704 1.00 18.52 C +ATOM 601 O GLY A 79 -21.782 20.078 26.468 1.00 17.49 O +ATOM 602 N VAL A 80 -23.958 19.769 25.974 1.00 18.76 N +ATOM 603 CA VAL A 80 -24.290 19.029 27.183 1.00 19.25 C +ATOM 604 C VAL A 80 -25.015 17.747 26.770 1.00 18.27 C +ATOM 605 O VAL A 80 -25.894 17.807 25.887 1.00 19.42 O +ATOM 606 CB VAL A 80 -25.138 19.851 28.153 1.00 18.84 C +ATOM 607 CG1 VAL A 80 -25.560 19.029 29.367 1.00 19.23 C +ATOM 608 CG2 VAL A 80 -24.377 21.079 28.626 1.00 19.89 C +ATOM 609 N VAL A 81 -24.629 16.640 27.395 1.00 18.57 N +ATOM 610 CA VAL A 81 -25.361 15.397 27.173 1.00 18.11 C +ATOM 611 C VAL A 81 -25.970 14.907 28.497 1.00 20.62 C +ATOM 612 O VAL A 81 -25.395 15.221 29.542 1.00 17.17 O +ATOM 613 CB VAL A 81 -24.542 14.256 26.562 1.00 18.75 C +ATOM 614 CG1 VAL A 81 -23.969 14.647 25.200 1.00 24.15 C +ATOM 615 CG2 VAL A 81 -23.426 13.806 27.504 1.00 20.12 C +ATOM 616 N LYS A 82 -27.091 14.193 28.348 1.00 17.71 N +ATOM 617 CA LYS A 82 -27.781 13.619 29.504 1.00 18.42 C +ATOM 618 C LYS A 82 -27.478 12.132 29.529 1.00 17.85 C +ATOM 619 O LYS A 82 -27.730 11.457 28.516 1.00 18.91 O +ATOM 620 CB ALYS A 82 -29.284 13.870 29.464 0.61 21.12 C +ATOM 621 CB BLYS A 82 -29.285 13.871 29.466 0.39 21.02 C +ATOM 622 CG ALYS A 82 -30.050 13.230 30.610 0.61 21.87 C +ATOM 623 CG BLYS A 82 -30.003 13.332 30.695 0.39 21.94 C +ATOM 624 CD ALYS A 82 -31.550 13.376 30.426 0.61 23.42 C +ATOM 625 CD BLYS A 82 -31.462 13.765 30.729 0.39 22.97 C +ATOM 626 CE ALYS A 82 -32.333 13.231 31.718 0.61 24.29 C +ATOM 627 CE BLYS A 82 -32.265 12.961 29.710 0.39 23.09 C +ATOM 628 NZ ALYS A 82 -33.775 13.547 31.515 0.61 32.49 N +ATOM 629 NZ BLYS A 82 -33.696 12.874 30.119 0.39 25.18 N +ATOM 630 N VAL A 83 -26.960 11.644 30.642 1.00 16.05 N +ATOM 631 CA VAL A 83 -26.580 10.251 30.801 1.00 17.27 C +ATOM 632 C VAL A 83 -27.497 9.595 31.813 1.00 18.85 C +ATOM 633 O VAL A 83 -27.716 10.139 32.909 1.00 20.26 O +ATOM 634 CB VAL A 83 -25.103 10.103 31.232 1.00 18.95 C +ATOM 635 CG1 VAL A 83 -24.198 10.682 30.154 1.00 22.49 C +ATOM 636 CG2 VAL A 83 -24.856 10.762 32.582 1.00 19.59 C +ATOM 637 N THR A 84 -28.043 8.436 31.403 1.00 17.28 N +ATOM 638 CA THR A 84 -29.027 7.753 32.239 1.00 17.58 C +ATOM 639 C THR A 84 -28.656 6.298 32.473 1.00 16.13 C +ATOM 640 O THR A 84 -28.323 5.588 31.505 1.00 19.65 O +ATOM 641 CB THR A 84 -30.414 7.789 31.572 1.00 15.75 C +ATOM 642 OG1 THR A 84 -30.795 9.152 31.323 1.00 22.43 O +ATOM 643 CG2 THR A 84 -31.515 7.202 32.455 1.00 17.37 C +ATOM 644 N TYR A 85 -28.699 5.831 33.712 1.00 16.05 N +ATOM 645 CA TYR A 85 -28.480 4.392 33.947 1.00 16.40 C +ATOM 646 C TYR A 85 -29.793 3.617 33.843 1.00 15.92 C +ATOM 647 O TYR A 85 -30.761 4.042 34.472 1.00 19.66 O +ATOM 648 CB TYR A 85 -27.931 4.175 35.329 1.00 17.92 C +ATOM 649 CG TYR A 85 -26.487 4.427 35.624 1.00 16.97 C +ATOM 650 CD1 TYR A 85 -25.484 3.612 35.136 1.00 15.45 C +ATOM 651 CD2 TYR A 85 -26.143 5.511 36.432 1.00 18.45 C +ATOM 652 CE1 TYR A 85 -24.148 3.843 35.424 1.00 17.43 C +ATOM 653 CE2 TYR A 85 -24.815 5.744 36.709 1.00 19.97 C +ATOM 654 CZ TYR A 85 -23.825 4.922 36.210 1.00 21.19 C +ATOM 655 OH TYR A 85 -22.503 5.191 36.516 1.00 19.81 O +ATOM 656 N PRO A 86 -29.871 2.554 33.070 1.00 18.14 N +ATOM 657 CA PRO A 86 -31.129 1.771 33.115 1.00 20.44 C +ATOM 658 C PRO A 86 -31.220 1.078 34.457 1.00 21.52 C +ATOM 659 O PRO A 86 -30.234 0.910 35.207 1.00 19.42 O +ATOM 660 CB PRO A 86 -30.970 0.811 31.952 1.00 22.66 C +ATOM 661 CG PRO A 86 -29.524 0.670 31.706 1.00 22.62 C +ATOM 662 CD PRO A 86 -28.908 1.978 32.137 1.00 21.78 C +ATOM 663 N GLY A 87 -32.447 0.673 34.814 1.00 20.38 N +ATOM 664 CA GLY A 87 -32.512 -0.055 36.078 1.00 18.62 C +ATOM 665 C GLY A 87 -32.388 0.838 37.288 1.00 16.39 C +ATOM 666 O GLY A 87 -32.744 2.016 37.214 1.00 18.67 O +ATOM 667 N LEU A 88 -31.924 0.270 38.385 1.00 16.14 N +ATOM 668 CA LEU A 88 -31.792 0.931 39.658 1.00 15.11 C +ATOM 669 C LEU A 88 -30.355 1.334 39.972 1.00 16.61 C +ATOM 670 O LEU A 88 -29.455 0.502 39.869 1.00 17.85 O +ATOM 671 CB LEU A 88 -32.301 -0.007 40.766 1.00 16.68 C +ATOM 672 CG LEU A 88 -33.787 -0.357 40.634 1.00 17.90 C +ATOM 673 CD1 LEU A 88 -34.193 -1.282 41.779 1.00 24.61 C +ATOM 674 CD2 LEU A 88 -34.673 0.865 40.635 1.00 17.39 C +ATOM 675 N THR A 89 -30.141 2.590 40.352 1.00 16.93 N +ATOM 676 CA THR A 89 -28.842 3.123 40.733 1.00 17.93 C +ATOM 677 C THR A 89 -28.853 3.653 42.162 1.00 18.94 C +ATOM 678 O THR A 89 -29.796 4.366 42.535 1.00 16.99 O +ATOM 679 CB THR A 89 -28.459 4.280 39.789 1.00 17.22 C +ATOM 680 OG1 THR A 89 -28.382 3.764 38.461 1.00 19.02 O +ATOM 681 CG2 THR A 89 -27.112 4.898 40.133 1.00 17.23 C +ATOM 682 N LYS A 90 -27.835 3.321 42.937 1.00 17.63 N +ATOM 683 CA LYS A 90 -27.655 3.890 44.260 1.00 16.45 C +ATOM 684 C LYS A 90 -26.759 5.124 44.156 1.00 15.56 C +ATOM 685 O LYS A 90 -25.652 5.058 43.623 1.00 15.49 O +ATOM 686 CB LYS A 90 -27.035 2.882 45.220 1.00 15.06 C +ATOM 687 CG LYS A 90 -26.534 3.422 46.558 1.00 16.04 C +ATOM 688 CD LYS A 90 -27.698 3.861 47.423 1.00 16.54 C +ATOM 689 CE LYS A 90 -27.302 4.357 48.789 1.00 15.50 C +ATOM 690 NZ LYS A 90 -26.978 3.197 49.677 1.00 15.69 N +ATOM 691 N VAL A 91 -27.292 6.218 44.660 1.00 16.44 N +ATOM 692 CA VAL A 91 -26.527 7.444 44.871 1.00 15.26 C +ATOM 693 C VAL A 91 -26.062 7.433 46.319 1.00 16.01 C +ATOM 694 O VAL A 91 -26.889 7.376 47.237 1.00 16.28 O +ATOM 695 CB VAL A 91 -27.348 8.692 44.561 1.00 16.22 C +ATOM 696 CG1 VAL A 91 -26.571 9.919 45.000 1.00 18.06 C +ATOM 697 CG2 VAL A 91 -27.729 8.701 43.084 1.00 15.80 C +ATOM 698 N LEU A 92 -24.755 7.419 46.478 1.00 15.28 N +ATOM 699 CA LEU A 92 -24.146 7.384 47.798 1.00 14.18 C +ATOM 700 C LEU A 92 -23.480 8.730 48.082 1.00 15.55 C +ATOM 701 O LEU A 92 -22.388 9.001 47.559 1.00 14.79 O +ATOM 702 CB LEU A 92 -23.175 6.216 47.928 1.00 16.45 C +ATOM 703 CG LEU A 92 -22.695 5.881 49.342 1.00 15.97 C +ATOM 704 CD1 LEU A 92 -23.820 5.236 50.135 1.00 18.57 C +ATOM 705 CD2 LEU A 92 -21.492 4.955 49.361 1.00 21.64 C +ATOM 706 N ALA A 93 -24.128 9.544 48.903 1.00 15.15 N +ATOM 707 CA ALA A 93 -23.675 10.895 49.213 1.00 15.60 C +ATOM 708 C ALA A 93 -22.646 10.921 50.322 1.00 17.33 C +ATOM 709 O ALA A 93 -22.847 10.309 51.382 1.00 19.09 O +ATOM 710 CB ALA A 93 -24.894 11.741 49.552 1.00 17.32 C +ATOM 711 N LEU A 94 -21.527 11.603 50.071 1.00 16.73 N +ATOM 712 CA LEU A 94 -20.426 11.639 51.001 1.00 18.18 C +ATOM 713 C LEU A 94 -20.314 12.960 51.752 1.00 17.87 C +ATOM 714 O LEU A 94 -20.579 13.989 51.129 1.00 18.52 O +ATOM 715 CB LEU A 94 -19.077 11.441 50.286 1.00 22.87 C +ATOM 716 CG LEU A 94 -19.075 10.358 49.205 1.00 28.69 C +ATOM 717 CD1 LEU A 94 -17.892 10.587 48.283 1.00 32.43 C +ATOM 718 CD2 LEU A 94 -19.066 8.989 49.847 1.00 36.07 C +ATOM 719 N LYS A 95 -19.922 12.795 53.019 1.00 18.12 N +ATOM 720 CA LYS A 95 -19.813 13.912 53.950 1.00 20.13 C +ATOM 721 C LYS A 95 -18.410 14.494 53.974 1.00 18.79 C +ATOM 722 O LYS A 95 -18.163 15.604 54.468 1.00 21.00 O +ATOM 723 CB LYS A 95 -20.208 13.453 55.363 1.00 24.14 C +ATOM 724 CG LYS A 95 -21.711 13.222 55.448 1.00 29.46 C +ATOM 725 CD LYS A 95 -22.162 13.096 56.892 1.00 32.77 C +ATOM 726 CE LYS A 95 -21.417 11.984 57.610 1.00 35.48 C +ATOM 727 NZ LYS A 95 -22.062 11.728 58.940 1.00 45.17 N +ATOM 728 N VAL A 96 -17.502 13.736 53.393 1.00 18.49 N +ATOM 729 CA VAL A 96 -16.140 14.214 53.197 1.00 20.70 C +ATOM 730 C VAL A 96 -15.687 13.886 51.775 1.00 21.00 C +ATOM 731 O VAL A 96 -16.224 12.993 51.104 1.00 22.42 O +ATOM 732 CB VAL A 96 -15.149 13.646 54.223 1.00 22.51 C +ATOM 733 CG1 VAL A 96 -15.577 14.019 55.631 1.00 23.86 C +ATOM 734 CG2 VAL A 96 -15.027 12.143 54.108 1.00 20.92 C +ATOM 735 N ASP A 97 -14.698 14.603 51.256 1.00 20.11 N +ATOM 736 CA ASP A 97 -14.165 14.217 49.936 1.00 18.82 C +ATOM 737 C ASP A 97 -12.708 13.767 50.006 1.00 19.10 C +ATOM 738 O ASP A 97 -11.917 13.984 49.084 1.00 20.75 O +ATOM 739 CB ASP A 97 -14.330 15.366 48.959 1.00 20.38 C +ATOM 740 CG ASP A 97 -13.314 16.475 49.110 1.00 20.20 C +ATOM 741 OD1 ASP A 97 -12.872 16.742 50.249 1.00 23.33 O +ATOM 742 OD2 ASP A 97 -12.967 17.093 48.086 1.00 18.89 O +ATOM 743 N ASN A 98 -12.350 13.107 51.095 1.00 18.55 N +ATOM 744 CA ASN A 98 -11.062 12.533 51.395 1.00 18.53 C +ATOM 745 C ASN A 98 -11.078 11.028 51.134 1.00 21.53 C +ATOM 746 O ASN A 98 -11.733 10.342 51.919 1.00 21.55 O +ATOM 747 CB ASN A 98 -10.705 12.804 52.859 1.00 20.43 C +ATOM 748 CG ASN A 98 -9.304 12.346 53.209 1.00 17.89 C +ATOM 749 OD1 ASN A 98 -8.924 11.213 52.884 1.00 19.58 O +ATOM 750 ND2 ASN A 98 -8.539 13.211 53.862 1.00 21.60 N +ATOM 751 N ALA A 99 -10.395 10.555 50.100 1.00 18.68 N +ATOM 752 CA ALA A 99 -10.520 9.158 49.694 1.00 20.43 C +ATOM 753 C ALA A 99 -10.014 8.213 50.776 1.00 20.73 C +ATOM 754 O ALA A 99 -10.624 7.179 51.036 1.00 21.01 O +ATOM 755 CB ALA A 99 -9.775 8.934 48.387 1.00 21.58 C +ATOM 756 N GLU A 100 -8.887 8.563 51.407 1.00 20.88 N +ATOM 757 CA GLU A 100 -8.331 7.720 52.461 1.00 22.27 C +ATOM 758 C GLU A 100 -9.325 7.582 53.605 1.00 25.27 C +ATOM 759 O GLU A 100 -9.581 6.491 54.128 1.00 23.06 O +ATOM 760 CB AGLU A 100 -6.977 8.224 52.968 0.39 24.43 C +ATOM 761 CB BGLU A 100 -7.012 8.327 52.947 0.61 24.43 C +ATOM 762 CG AGLU A 100 -5.822 7.891 52.048 0.39 25.59 C +ATOM 763 CG BGLU A 100 -6.292 7.488 53.983 0.61 25.30 C +ATOM 764 CD AGLU A 100 -5.522 6.416 51.909 0.39 28.39 C +ATOM 765 CD BGLU A 100 -5.560 6.334 53.325 0.61 28.39 C +ATOM 766 OE1AGLU A 100 -5.159 5.757 52.907 0.39 29.14 O +ATOM 767 OE1BGLU A 100 -5.537 6.333 52.079 0.61 30.30 O +ATOM 768 OE2AGLU A 100 -5.630 5.878 50.778 0.39 32.91 O +ATOM 769 OE2BGLU A 100 -5.040 5.449 54.034 0.61 30.63 O +ATOM 770 N THR A 101 -9.921 8.718 53.991 1.00 23.59 N +ATOM 771 CA THR A 101 -10.919 8.609 55.055 1.00 23.94 C +ATOM 772 C THR A 101 -12.075 7.721 54.648 1.00 23.36 C +ATOM 773 O THR A 101 -12.514 6.855 55.412 1.00 23.93 O +ATOM 774 CB THR A 101 -11.414 10.016 55.443 1.00 26.58 C +ATOM 775 OG1 THR A 101 -10.275 10.791 55.861 1.00 24.56 O +ATOM 776 CG2 THR A 101 -12.351 9.912 56.629 1.00 23.40 C +ATOM 777 N ILE A 102 -12.581 7.928 53.432 1.00 21.79 N +ATOM 778 CA ILE A 102 -13.676 7.103 52.927 1.00 20.82 C +ATOM 779 C ILE A 102 -13.297 5.632 52.840 1.00 22.08 C +ATOM 780 O ILE A 102 -14.126 4.785 53.220 1.00 23.31 O +ATOM 781 CB ILE A 102 -14.167 7.605 51.564 1.00 19.88 C +ATOM 782 CG1 ILE A 102 -14.778 8.990 51.641 1.00 18.32 C +ATOM 783 CG2 ILE A 102 -15.180 6.624 50.976 1.00 21.76 C +ATOM 784 CD1 ILE A 102 -14.737 9.775 50.362 1.00 17.77 C +ATOM 785 N LYS A 103 -12.117 5.258 52.371 1.00 21.34 N +ATOM 786 CA LYS A 103 -11.702 3.855 52.284 1.00 23.44 C +ATOM 787 C LYS A 103 -11.576 3.247 53.679 1.00 25.00 C +ATOM 788 O LYS A 103 -12.040 2.135 53.949 1.00 25.17 O +ATOM 789 CB LYS A 103 -10.385 3.694 51.505 1.00 25.09 C +ATOM 790 CG LYS A 103 -10.587 3.979 50.019 1.00 25.77 C +ATOM 791 CD LYS A 103 -9.359 3.739 49.171 1.00 27.58 C +ATOM 792 CE LYS A 103 -8.111 4.433 49.626 1.00 28.51 C +ATOM 793 NZ LYS A 103 -7.008 4.251 48.625 1.00 28.98 N +ATOM 794 N LYS A 104 -11.005 3.994 54.622 1.00 26.91 N +ATOM 795 CA LYS A 104 -10.945 3.541 56.007 1.00 28.14 C +ATOM 796 C LYS A 104 -12.331 3.337 56.616 1.00 29.04 C +ATOM 797 O LYS A 104 -12.564 2.294 57.230 1.00 28.87 O +ATOM 798 CB LYS A 104 -10.189 4.538 56.894 1.00 27.82 C +ATOM 799 CG LYS A 104 -8.705 4.604 56.563 1.00 32.60 C +ATOM 800 CD LYS A 104 -7.933 5.341 57.652 1.00 38.65 C +ATOM 801 CE LYS A 104 -6.458 5.446 57.275 1.00 42.19 C +ATOM 802 NZ LYS A 104 -5.691 4.248 57.740 1.00 47.82 N +ATOM 803 N GLU A 105 -13.213 4.318 56.496 1.00 27.00 N +ATOM 804 CA GLU A 105 -14.484 4.275 57.218 1.00 27.37 C +ATOM 805 C GLU A 105 -15.474 3.302 56.594 1.00 25.03 C +ATOM 806 O GLU A 105 -16.369 2.810 57.284 1.00 27.83 O +ATOM 807 CB GLU A 105 -15.124 5.665 57.288 1.00 29.38 C +ATOM 808 CG GLU A 105 -14.357 6.643 58.163 1.00 31.30 C +ATOM 809 CD GLU A 105 -14.324 6.226 59.615 1.00 36.37 C +ATOM 810 OE1 GLU A 105 -15.138 5.371 60.025 1.00 40.10 O +ATOM 811 OE2 GLU A 105 -13.451 6.745 60.347 1.00 41.21 O +ATOM 812 N LEU A 106 -15.366 3.026 55.306 1.00 24.51 N +ATOM 813 CA LEU A 106 -16.222 2.048 54.635 1.00 24.67 C +ATOM 814 C LEU A 106 -15.591 0.653 54.626 1.00 26.53 C +ATOM 815 O LEU A 106 -16.154 -0.260 54.028 1.00 34.56 O +ATOM 816 CB LEU A 106 -16.552 2.445 53.197 1.00 26.02 C +ATOM 817 CG LEU A 106 -17.260 3.766 52.933 1.00 24.67 C +ATOM 818 CD1 LEU A 106 -17.730 3.883 51.490 1.00 23.73 C +ATOM 819 CD2 LEU A 106 -18.459 3.966 53.859 1.00 25.58 C +ATOM 820 N GLY A 107 -14.450 0.479 55.267 1.00 27.37 N +ATOM 821 CA GLY A 107 -13.748 -0.789 55.375 1.00 27.81 C +ATOM 822 C GLY A 107 -13.329 -1.345 54.032 1.00 29.39 C +ATOM 823 O GLY A 107 -13.497 -2.523 53.697 1.00 32.58 O +ATOM 824 N LEU A 108 -12.764 -0.463 53.212 1.00 26.17 N +ATOM 825 CA LEU A 108 -12.301 -0.838 51.889 1.00 25.51 C +ATOM 826 C LEU A 108 -10.803 -1.158 51.952 1.00 26.63 C +ATOM 827 O LEU A 108 -10.179 -0.997 53.004 1.00 31.44 O +ATOM 828 CB LEU A 108 -12.564 0.281 50.886 1.00 23.97 C +ATOM 829 CG LEU A 108 -14.008 0.760 50.717 1.00 24.68 C +ATOM 830 CD1 LEU A 108 -14.089 1.734 49.541 1.00 20.15 C +ATOM 831 CD2 LEU A 108 -14.922 -0.432 50.515 1.00 26.16 C +ATOM 832 N SER A 109 -10.243 -1.593 50.842 1.00 28.23 N +ATOM 833 CA SER A 109 -8.800 -1.774 50.741 1.00 28.69 C +ATOM 834 C SER A 109 -8.070 -0.447 50.782 1.00 29.36 C +ATOM 835 O SER A 109 -8.487 0.508 50.112 1.00 27.60 O +ATOM 836 CB SER A 109 -8.513 -2.487 49.421 1.00 28.66 C +ATOM 837 OG SER A 109 -7.235 -3.084 49.446 1.00 38.36 O +ATOM 838 N LEU A 110 -6.963 -0.311 51.513 1.00 31.33 N +ATOM 839 CA LEU A 110 -6.260 0.976 51.501 1.00 31.64 C +ATOM 840 C LEU A 110 -5.229 1.055 50.382 1.00 31.41 C +ATOM 841 O LEU A 110 -4.500 2.044 50.185 1.00 30.66 O +ATOM 842 CB LEU A 110 -5.594 1.211 52.854 1.00 33.98 C +ATOM 843 CG LEU A 110 -6.493 1.318 54.079 1.00 36.80 C +ATOM 844 CD1 LEU A 110 -5.707 1.853 55.275 1.00 47.42 C +ATOM 845 CD2 LEU A 110 -7.686 2.216 53.816 1.00 41.04 C +ATOM 846 N THR A 111 -5.152 -0.024 49.613 1.00 31.07 N +ATOM 847 CA THR A 111 -4.161 -0.163 48.551 1.00 31.84 C +ATOM 848 C THR A 111 -4.790 -0.331 47.178 1.00 31.05 C +ATOM 849 O THR A 111 -4.132 -0.734 46.218 1.00 34.89 O +ATOM 850 CB THR A 111 -3.210 -1.360 48.811 1.00 33.49 C +ATOM 851 OG1 THR A 111 -3.956 -2.574 48.746 1.00 34.43 O +ATOM 852 CG2 THR A 111 -2.608 -1.251 50.201 1.00 36.99 C +ATOM 853 N GLU A 112 -6.069 -0.013 47.036 1.00 27.35 N +ATOM 854 CA GLU A 112 -6.716 0.019 45.735 1.00 25.32 C +ATOM 855 C GLU A 112 -7.462 1.358 45.584 1.00 21.54 C +ATOM 856 O GLU A 112 -7.923 1.855 46.622 1.00 25.16 O +ATOM 857 CB GLU A 112 -7.696 -1.120 45.523 1.00 24.72 C +ATOM 858 CG GLU A 112 -7.125 -2.523 45.649 1.00 28.81 C +ATOM 859 CD GLU A 112 -6.069 -2.761 44.590 1.00 33.67 C +ATOM 860 OE1 GLU A 112 -6.164 -2.114 43.524 1.00 35.61 O +ATOM 861 OE2 GLU A 112 -5.167 -3.574 44.869 1.00 39.08 O +ATOM 862 N PRO A 113 -7.541 1.904 44.394 1.00 20.30 N +ATOM 863 CA PRO A 113 -8.215 3.205 44.208 1.00 20.39 C +ATOM 864 C PRO A 113 -9.687 3.109 44.595 1.00 20.44 C +ATOM 865 O PRO A 113 -10.417 2.190 44.252 1.00 20.58 O +ATOM 866 CB PRO A 113 -8.036 3.521 42.729 1.00 22.77 C +ATOM 867 CG PRO A 113 -6.941 2.624 42.246 1.00 24.83 C +ATOM 868 CD PRO A 113 -6.983 1.410 43.121 1.00 24.00 C +ATOM 869 N LEU A 114 -10.149 4.105 45.337 1.00 18.53 N +ATOM 870 CA LEU A 114 -11.505 4.233 45.811 1.00 18.06 C +ATOM 871 C LEU A 114 -12.522 4.036 44.696 1.00 19.14 C +ATOM 872 O LEU A 114 -13.421 3.206 44.836 1.00 16.95 O +ATOM 873 CB LEU A 114 -11.744 5.622 46.419 1.00 16.98 C +ATOM 874 CG LEU A 114 -13.167 5.958 46.821 1.00 18.29 C +ATOM 875 CD1 LEU A 114 -13.676 4.940 47.833 1.00 19.39 C +ATOM 876 CD2 LEU A 114 -13.265 7.382 47.373 1.00 20.20 C +ATOM 877 N MET A 115 -12.386 4.812 43.608 1.00 19.94 N +ATOM 878 CA MET A 115 -13.431 4.713 42.583 1.00 17.39 C +ATOM 879 C MET A 115 -13.384 3.354 41.877 1.00 17.24 C +ATOM 880 O MET A 115 -14.433 2.905 41.382 1.00 21.21 O +ATOM 881 CB MET A 115 -13.344 5.872 41.594 1.00 16.70 C +ATOM 882 CG MET A 115 -13.952 7.170 42.142 1.00 16.96 C +ATOM 883 SD MET A 115 -15.645 6.993 42.734 1.00 18.32 S +ATOM 884 CE MET A 115 -16.445 6.360 41.256 1.00 24.41 C +ATOM 885 N GLU A 116 -12.232 2.707 41.797 1.00 18.85 N +ATOM 886 CA GLU A 116 -12.194 1.323 41.307 1.00 18.63 C +ATOM 887 C GLU A 116 -13.010 0.406 42.203 1.00 18.42 C +ATOM 888 O GLU A 116 -13.780 -0.432 41.742 1.00 18.33 O +ATOM 889 CB GLU A 116 -10.743 0.843 41.196 1.00 21.72 C +ATOM 890 CG GLU A 116 -9.994 1.561 40.090 1.00 24.41 C +ATOM 891 CD GLU A 116 -8.707 0.894 39.657 1.00 28.45 C +ATOM 892 OE1 GLU A 116 -8.491 -0.265 40.068 1.00 28.23 O +ATOM 893 OE2 GLU A 116 -7.940 1.563 38.914 1.00 34.86 O +ATOM 894 N GLN A 117 -12.859 0.569 43.507 1.00 18.74 N +ATOM 895 CA GLN A 117 -13.570 -0.324 44.426 1.00 20.35 C +ATOM 896 C GLN A 117 -15.067 -0.086 44.358 1.00 19.54 C +ATOM 897 O GLN A 117 -15.883 -0.978 44.532 1.00 19.44 O +ATOM 898 CB GLN A 117 -13.059 -0.130 45.846 1.00 20.94 C +ATOM 899 CG GLN A 117 -11.582 -0.519 45.958 1.00 21.73 C +ATOM 900 CD GLN A 117 -11.100 -0.553 47.387 1.00 23.38 C +ATOM 901 OE1 GLN A 117 -11.512 -1.452 48.114 1.00 25.05 O +ATOM 902 NE2 GLN A 117 -10.247 0.406 47.757 1.00 25.60 N +ATOM 903 N VAL A 118 -15.430 1.175 44.104 1.00 17.82 N +ATOM 904 CA VAL A 118 -16.845 1.505 43.994 1.00 18.80 C +ATOM 905 C VAL A 118 -17.537 0.691 42.930 1.00 19.79 C +ATOM 906 O VAL A 118 -18.744 0.436 43.019 1.00 20.50 O +ATOM 907 CB VAL A 118 -16.996 3.012 43.708 1.00 14.78 C +ATOM 908 CG1 VAL A 118 -18.405 3.410 43.307 1.00 17.98 C +ATOM 909 CG2 VAL A 118 -16.550 3.777 44.947 1.00 15.53 C +ATOM 910 N GLY A 119 -16.806 0.251 41.906 1.00 18.90 N +ATOM 911 CA GLY A 119 -17.526 -0.496 40.889 1.00 19.64 C +ATOM 912 C GLY A 119 -17.430 -1.994 41.091 1.00 20.57 C +ATOM 913 O GLY A 119 -17.829 -2.755 40.214 1.00 23.40 O +ATOM 914 N THR A 120 -16.912 -2.441 42.227 1.00 21.95 N +ATOM 915 CA THR A 120 -16.835 -3.908 42.364 1.00 21.68 C +ATOM 916 C THR A 120 -18.168 -4.481 42.843 1.00 22.75 C +ATOM 917 O THR A 120 -19.015 -3.835 43.452 1.00 21.04 O +ATOM 918 CB THR A 120 -15.719 -4.374 43.295 1.00 20.14 C +ATOM 919 OG1 THR A 120 -15.913 -3.773 44.575 1.00 24.79 O +ATOM 920 CG2 THR A 120 -14.342 -3.912 42.857 1.00 23.23 C +ATOM 921 N GLU A 121 -18.346 -5.768 42.522 1.00 23.64 N +ATOM 922 CA GLU A 121 -19.581 -6.456 42.888 1.00 24.82 C +ATOM 923 C GLU A 121 -19.769 -6.454 44.398 1.00 22.10 C +ATOM 924 O GLU A 121 -20.905 -6.306 44.867 1.00 22.24 O +ATOM 925 CB GLU A 121 -19.545 -7.885 42.349 1.00 29.53 C +ATOM 926 CG GLU A 121 -19.885 -8.113 40.900 1.00 35.66 C +ATOM 927 CD GLU A 121 -19.897 -9.610 40.594 1.00 41.25 C +ATOM 928 OE1 GLU A 121 -20.695 -10.039 39.721 1.00 52.50 O +ATOM 929 OE2 GLU A 121 -19.124 -10.367 41.221 1.00 42.42 O +ATOM 930 N GLU A 122 -18.700 -6.609 45.179 1.00 21.36 N +ATOM 931 CA GLU A 122 -18.815 -6.626 46.634 1.00 24.16 C +ATOM 932 C GLU A 122 -19.327 -5.311 47.227 1.00 22.96 C +ATOM 933 O GLU A 122 -20.200 -5.224 48.087 1.00 21.60 O +ATOM 934 CB AGLU A 122 -17.492 -6.988 47.330 0.52 26.12 C +ATOM 935 CB BGLU A 122 -17.429 -6.934 47.214 0.48 26.12 C +ATOM 936 CG AGLU A 122 -17.662 -7.142 48.837 0.52 27.53 C +ATOM 937 CG BGLU A 122 -16.647 -8.034 46.529 0.48 26.85 C +ATOM 938 CD AGLU A 122 -16.557 -7.905 49.531 0.52 31.14 C +ATOM 939 CD BGLU A 122 -15.753 -7.588 45.392 0.48 26.27 C +ATOM 940 OE1AGLU A 122 -15.378 -7.817 49.108 0.52 34.17 O +ATOM 941 OE1BGLU A 122 -14.656 -7.036 45.663 0.48 33.33 O +ATOM 942 OE2AGLU A 122 -16.844 -8.621 50.524 0.52 31.07 O +ATOM 943 OE2BGLU A 122 -16.110 -7.789 44.210 0.48 15.11 O +ATOM 944 N PHE A 123 -18.796 -4.197 46.791 1.00 22.72 N +ATOM 945 CA PHE A 123 -19.130 -2.823 47.147 1.00 19.32 C +ATOM 946 C PHE A 123 -20.606 -2.587 46.829 1.00 18.80 C +ATOM 947 O PHE A 123 -21.379 -2.044 47.605 1.00 19.93 O +ATOM 948 CB PHE A 123 -18.246 -1.799 46.416 1.00 20.01 C +ATOM 949 CG PHE A 123 -18.457 -0.369 46.922 1.00 18.87 C +ATOM 950 CD1 PHE A 123 -19.442 0.445 46.374 1.00 18.25 C +ATOM 951 CD2 PHE A 123 -17.667 0.109 47.944 1.00 17.26 C +ATOM 952 CE1 PHE A 123 -19.646 1.712 46.859 1.00 19.01 C +ATOM 953 CE2 PHE A 123 -17.857 1.391 48.439 1.00 18.95 C +ATOM 954 CZ PHE A 123 -18.845 2.171 47.893 1.00 18.50 C +ATOM 955 N ILE A 124 -20.996 -2.984 45.626 1.00 18.53 N +ATOM 956 CA ILE A 124 -22.350 -2.780 45.156 1.00 17.91 C +ATOM 957 C ILE A 124 -23.298 -3.628 45.991 1.00 21.03 C +ATOM 958 O ILE A 124 -24.356 -3.151 46.374 1.00 18.26 O +ATOM 959 CB ILE A 124 -22.441 -3.051 43.640 1.00 19.77 C +ATOM 960 CG1 ILE A 124 -21.647 -2.023 42.822 1.00 20.15 C +ATOM 961 CG2 ILE A 124 -23.890 -3.131 43.202 1.00 18.97 C +ATOM 962 CD1 ILE A 124 -21.407 -2.403 41.361 1.00 21.26 C +ATOM 963 N LYS A 125 -22.948 -4.866 46.336 1.00 22.48 N +ATOM 964 CA LYS A 125 -23.833 -5.614 47.240 1.00 23.17 C +ATOM 965 C LYS A 125 -23.871 -4.964 48.614 1.00 23.66 C +ATOM 966 O LYS A 125 -24.963 -4.833 49.170 1.00 26.08 O +ATOM 967 CB ALYS A 125 -23.425 -7.082 47.340 0.53 26.12 C +ATOM 968 CB BLYS A 125 -23.365 -7.063 47.328 0.53 26.13 C +ATOM 969 CG ALYS A 125 -24.489 -7.968 47.966 0.53 28.57 C +ATOM 970 CG BLYS A 125 -23.961 -7.926 48.418 0.53 28.65 C +ATOM 971 CD ALYS A 125 -25.727 -8.091 47.094 0.53 31.24 C +ATOM 972 CD BLYS A 125 -23.483 -9.370 48.306 0.53 31.66 C +ATOM 973 CE ALYS A 125 -26.822 -8.890 47.777 0.53 34.56 C +ATOM 974 CE BLYS A 125 -24.517 -10.357 48.842 0.53 33.77 C +ATOM 975 NZ ALYS A 125 -27.687 -9.573 46.779 0.53 41.16 N +ATOM 976 NZ BLYS A 125 -24.315 -11.739 48.315 0.53 36.57 N +ATOM 977 N ARG A 126 -22.738 -4.561 49.183 1.00 21.92 N +ATOM 978 CA ARG A 126 -22.684 -3.933 50.493 1.00 22.83 C +ATOM 979 C ARG A 126 -23.422 -2.599 50.560 1.00 24.58 C +ATOM 980 O ARG A 126 -24.144 -2.378 51.540 1.00 22.84 O +ATOM 981 CB ARG A 126 -21.244 -3.668 50.968 1.00 24.43 C +ATOM 982 CG ARG A 126 -20.469 -4.904 51.374 1.00 27.43 C +ATOM 983 CD ARG A 126 -19.012 -4.547 51.641 1.00 25.25 C +ATOM 984 NE ARG A 126 -18.846 -3.786 52.861 1.00 27.85 N +ATOM 985 CZ ARG A 126 -17.906 -2.954 53.268 1.00 26.97 C +ATOM 986 NH1 ARG A 126 -16.837 -2.646 52.534 1.00 27.16 N +ATOM 987 NH2 ARG A 126 -18.041 -2.398 54.471 1.00 27.57 N +ATOM 988 N PHE A 127 -23.243 -1.731 49.578 1.00 21.56 N +ATOM 989 CA PHE A 127 -23.796 -0.373 49.684 1.00 19.35 C +ATOM 990 C PHE A 127 -24.879 -0.050 48.672 1.00 18.49 C +ATOM 991 O PHE A 127 -25.386 1.089 48.660 1.00 21.14 O +ATOM 992 CB PHE A 127 -22.631 0.625 49.519 1.00 20.12 C +ATOM 993 CG PHE A 127 -21.602 0.511 50.630 1.00 20.18 C +ATOM 994 CD1 PHE A 127 -21.948 0.955 51.900 1.00 23.41 C +ATOM 995 CD2 PHE A 127 -20.350 -0.024 50.432 1.00 21.46 C +ATOM 996 CE1 PHE A 127 -21.037 0.856 52.931 1.00 24.27 C +ATOM 997 CE2 PHE A 127 -19.439 -0.132 51.462 1.00 23.09 C +ATOM 998 CZ PHE A 127 -19.793 0.295 52.733 1.00 25.06 C +ATOM 999 N GLY A 128 -25.302 -0.935 47.794 1.00 18.93 N +ATOM 1000 CA GLY A 128 -26.239 -0.653 46.739 1.00 17.65 C +ATOM 1001 C GLY A 128 -27.708 -0.686 47.094 1.00 19.16 C +ATOM 1002 O GLY A 128 -28.487 -0.158 46.306 1.00 17.26 O +ATOM 1003 N ASP A 129 -28.070 -1.277 48.219 1.00 20.67 N +ATOM 1004 CA ASP A 129 -29.476 -1.397 48.604 1.00 19.96 C +ATOM 1005 C ASP A 129 -30.293 -1.959 47.447 1.00 23.05 C +ATOM 1006 O ASP A 129 -31.382 -1.482 47.122 1.00 20.45 O +ATOM 1007 CB ASP A 129 -30.032 -0.047 49.041 1.00 19.38 C +ATOM 1008 CG ASP A 129 -29.438 0.507 50.320 1.00 20.32 C +ATOM 1009 OD1 ASP A 129 -29.079 -0.292 51.202 1.00 21.94 O +ATOM 1010 OD2 ASP A 129 -29.316 1.749 50.492 1.00 22.38 O +ATOM 1011 N GLY A 130 -29.741 -2.979 46.789 1.00 22.57 N +ATOM 1012 CA GLY A 130 -30.417 -3.623 45.688 1.00 23.76 C +ATOM 1013 C GLY A 130 -30.138 -3.085 44.306 1.00 24.09 C +ATOM 1014 O GLY A 130 -30.523 -3.696 43.301 1.00 25.27 O +ATOM 1015 N ALA A 131 -29.463 -1.939 44.198 1.00 20.32 N +ATOM 1016 CA ALA A 131 -29.201 -1.347 42.899 1.00 18.19 C +ATOM 1017 C ALA A 131 -28.143 -2.122 42.131 1.00 18.23 C +ATOM 1018 O ALA A 131 -27.394 -2.880 42.764 1.00 18.26 O +ATOM 1019 CB ALA A 131 -28.762 0.104 43.094 1.00 16.97 C +ATOM 1020 N SER A 132 -28.093 -1.876 40.815 1.00 19.04 N +ATOM 1021 CA SER A 132 -27.139 -2.509 39.887 1.00 19.65 C +ATOM 1022 C SER A 132 -25.757 -1.879 39.978 1.00 18.32 C +ATOM 1023 O SER A 132 -24.757 -2.519 39.613 1.00 19.87 O +ATOM 1024 CB SER A 132 -27.660 -2.401 38.441 1.00 23.13 C +ATOM 1025 OG SER A 132 -28.792 -3.224 38.263 1.00 27.65 O +ATOM 1026 N ARG A 133 -25.640 -0.639 40.450 1.00 17.73 N +ATOM 1027 CA ARG A 133 -24.357 0.038 40.620 1.00 14.58 C +ATOM 1028 C ARG A 133 -24.502 1.218 41.586 1.00 16.46 C +ATOM 1029 O ARG A 133 -25.640 1.610 41.895 1.00 16.93 O +ATOM 1030 CB ARG A 133 -23.710 0.501 39.310 1.00 15.47 C +ATOM 1031 CG ARG A 133 -24.220 1.832 38.775 1.00 18.25 C +ATOM 1032 CD ARG A 133 -25.648 1.733 38.292 1.00 16.86 C +ATOM 1033 NE ARG A 133 -25.831 0.884 37.110 1.00 16.69 N +ATOM 1034 CZ ARG A 133 -27.013 0.622 36.561 1.00 18.16 C +ATOM 1035 NH1 ARG A 133 -28.147 1.110 37.059 1.00 18.68 N +ATOM 1036 NH2 ARG A 133 -27.077 -0.155 35.481 1.00 19.88 N +ATOM 1037 N VAL A 134 -23.364 1.701 42.066 1.00 14.87 N +ATOM 1038 CA VAL A 134 -23.306 2.857 42.942 1.00 15.32 C +ATOM 1039 C VAL A 134 -22.551 4.006 42.259 1.00 16.99 C +ATOM 1040 O VAL A 134 -21.584 3.790 41.511 1.00 16.76 O +ATOM 1041 CB VAL A 134 -22.636 2.562 44.279 1.00 16.97 C +ATOM 1042 CG1 VAL A 134 -22.602 3.811 45.150 1.00 16.20 C +ATOM 1043 CG2 VAL A 134 -23.386 1.418 44.951 1.00 17.82 C +ATOM 1044 N VAL A 135 -23.067 5.188 42.528 1.00 15.45 N +ATOM 1045 CA VAL A 135 -22.535 6.457 42.069 1.00 16.85 C +ATOM 1046 C VAL A 135 -22.260 7.283 43.322 1.00 17.44 C +ATOM 1047 O VAL A 135 -23.140 7.291 44.173 1.00 16.46 O +ATOM 1048 CB AVAL A 135 -23.505 7.268 41.200 0.68 18.47 C +ATOM 1049 CB BVAL A 135 -23.455 7.228 41.119 0.32 18.40 C +ATOM 1050 CG1AVAL A 135 -22.938 8.651 40.867 0.68 22.14 C +ATOM 1051 CG1BVAL A 135 -24.672 7.773 41.851 0.32 18.95 C +ATOM 1052 CG2AVAL A 135 -23.869 6.562 39.896 0.68 16.44 C +ATOM 1053 CG2BVAL A 135 -22.694 8.367 40.441 0.32 20.44 C +ATOM 1054 N LEU A 136 -21.101 7.917 43.452 1.00 16.30 N +ATOM 1055 CA LEU A 136 -20.870 8.761 44.617 1.00 16.05 C +ATOM 1056 C LEU A 136 -21.362 10.169 44.327 1.00 16.26 C +ATOM 1057 O LEU A 136 -21.296 10.598 43.177 1.00 17.11 O +ATOM 1058 CB LEU A 136 -19.401 8.844 45.028 1.00 17.34 C +ATOM 1059 CG LEU A 136 -18.694 7.500 45.271 1.00 16.12 C +ATOM 1060 CD1 LEU A 136 -17.280 7.695 45.785 1.00 20.02 C +ATOM 1061 CD2 LEU A 136 -19.480 6.667 46.245 1.00 16.60 C +ATOM 1062 N SER A 137 -21.836 10.857 45.349 1.00 15.49 N +ATOM 1063 CA SER A 137 -22.174 12.263 45.157 1.00 16.96 C +ATOM 1064 C SER A 137 -21.509 13.106 46.252 1.00 16.48 C +ATOM 1065 O SER A 137 -21.278 12.688 47.372 1.00 17.07 O +ATOM 1066 CB SER A 137 -23.669 12.529 45.116 1.00 19.54 C +ATOM 1067 OG SER A 137 -24.168 12.773 46.418 1.00 22.00 O +ATOM 1068 N LEU A 138 -21.194 14.309 45.813 1.00 17.02 N +ATOM 1069 CA LEU A 138 -20.606 15.357 46.620 1.00 15.97 C +ATOM 1070 C LEU A 138 -21.203 16.701 46.285 1.00 13.69 C +ATOM 1071 O LEU A 138 -21.659 16.916 45.182 1.00 15.03 O +ATOM 1072 CB LEU A 138 -19.111 15.477 46.344 1.00 16.88 C +ATOM 1073 CG LEU A 138 -18.178 14.432 46.934 1.00 20.65 C +ATOM 1074 CD1 LEU A 138 -16.812 14.512 46.259 1.00 19.85 C +ATOM 1075 CD2 LEU A 138 -18.046 14.661 48.429 1.00 24.43 C +ATOM 1076 N PRO A 139 -21.188 17.650 47.207 1.00 15.17 N +ATOM 1077 CA PRO A 139 -21.591 19.005 46.847 1.00 16.21 C +ATOM 1078 C PRO A 139 -20.728 19.506 45.698 1.00 16.51 C +ATOM 1079 O PRO A 139 -19.534 19.225 45.682 1.00 16.50 O +ATOM 1080 CB PRO A 139 -21.283 19.795 48.126 1.00 18.76 C +ATOM 1081 CG PRO A 139 -21.422 18.767 49.194 1.00 18.90 C +ATOM 1082 CD PRO A 139 -20.826 17.492 48.619 1.00 16.26 C +ATOM 1083 N PHE A 140 -21.378 20.194 44.766 1.00 15.07 N +ATOM 1084 CA PHE A 140 -20.680 20.700 43.606 1.00 14.54 C +ATOM 1085 C PHE A 140 -19.675 21.809 43.920 1.00 15.68 C +ATOM 1086 O PHE A 140 -18.547 21.780 43.441 1.00 14.65 O +ATOM 1087 CB PHE A 140 -21.725 21.188 42.606 1.00 14.88 C +ATOM 1088 CG PHE A 140 -21.133 21.638 41.280 1.00 14.72 C +ATOM 1089 CD1 PHE A 140 -20.676 20.739 40.349 1.00 16.60 C +ATOM 1090 CD2 PHE A 140 -21.061 22.999 41.019 1.00 14.52 C +ATOM 1091 CE1 PHE A 140 -20.139 21.184 39.144 1.00 15.59 C +ATOM 1092 CE2 PHE A 140 -20.527 23.448 39.827 1.00 14.78 C +ATOM 1093 CZ PHE A 140 -20.073 22.532 38.908 1.00 13.63 C +ATOM 1094 N ALA A 141 -20.127 22.793 44.702 1.00 15.53 N +ATOM 1095 CA ALA A 141 -19.244 23.929 44.967 1.00 16.56 C +ATOM 1096 C ALA A 141 -19.805 24.810 46.079 1.00 15.41 C +ATOM 1097 O ALA A 141 -21.013 24.795 46.309 1.00 15.11 O +ATOM 1098 CB ALA A 141 -19.137 24.772 43.705 1.00 19.48 C +ATOM 1099 N GLU A 142 -18.914 25.565 46.729 1.00 16.62 N +ATOM 1100 CA GLU A 142 -19.410 26.606 47.636 1.00 15.47 C +ATOM 1101 C GLU A 142 -20.201 27.625 46.839 1.00 17.38 C +ATOM 1102 O GLU A 142 -19.827 28.041 45.730 1.00 18.93 O +ATOM 1103 CB GLU A 142 -18.272 27.276 48.401 1.00 18.20 C +ATOM 1104 CG GLU A 142 -17.500 26.346 49.328 1.00 23.15 C +ATOM 1105 CD GLU A 142 -18.335 25.839 50.497 1.00 25.61 C +ATOM 1106 OE1 GLU A 142 -19.275 26.534 50.919 1.00 28.75 O +ATOM 1107 OE2 GLU A 142 -18.014 24.730 50.983 1.00 29.18 O +ATOM 1108 N GLY A 143 -21.355 28.082 47.341 1.00 17.18 N +ATOM 1109 CA GLY A 143 -22.133 29.036 46.582 1.00 19.21 C +ATOM 1110 C GLY A 143 -23.084 28.438 45.570 1.00 20.31 C +ATOM 1111 O GLY A 143 -23.755 29.130 44.803 1.00 20.14 O +ATOM 1112 N SER A 144 -23.163 27.112 45.564 1.00 19.93 N +ATOM 1113 CA SER A 144 -23.979 26.310 44.683 1.00 18.40 C +ATOM 1114 C SER A 144 -24.833 25.293 45.435 1.00 17.55 C +ATOM 1115 O SER A 144 -24.364 24.818 46.478 1.00 19.73 O +ATOM 1116 CB SER A 144 -23.008 25.562 43.784 1.00 18.84 C +ATOM 1117 OG SER A 144 -23.614 25.054 42.632 1.00 23.60 O +ATOM 1118 N SER A 145 -26.000 24.971 44.892 1.00 18.99 N +ATOM 1119 CA SER A 145 -26.838 23.930 45.498 1.00 17.53 C +ATOM 1120 C SER A 145 -26.861 22.650 44.676 1.00 19.18 C +ATOM 1121 O SER A 145 -27.556 21.667 44.914 1.00 19.46 O +ATOM 1122 CB ASER A 145 -28.277 24.422 45.694 0.41 19.25 C +ATOM 1123 CB BSER A 145 -28.279 24.422 45.680 0.38 19.22 C +ATOM 1124 CB CSER A 145 -28.267 24.454 45.677 0.22 19.08 C +ATOM 1125 OG ASER A 145 -28.941 24.581 44.454 0.41 19.57 O +ATOM 1126 OG BSER A 145 -28.315 25.775 46.098 0.38 18.00 O +ATOM 1127 OG CSER A 145 -29.137 23.378 45.979 0.22 20.06 O +ATOM 1128 N SER A 146 -26.082 22.586 43.632 1.00 18.64 N +ATOM 1129 CA SER A 146 -25.820 21.528 42.695 1.00 16.77 C +ATOM 1130 C SER A 146 -24.996 20.415 43.341 1.00 15.52 C +ATOM 1131 O SER A 146 -24.338 20.566 44.362 1.00 14.15 O +ATOM 1132 CB SER A 146 -25.096 22.004 41.423 1.00 16.28 C +ATOM 1133 OG SER A 146 -25.803 23.071 40.807 1.00 17.09 O +ATOM 1134 N VAL A 147 -25.096 19.264 42.672 1.00 15.38 N +ATOM 1135 CA VAL A 147 -24.441 18.047 43.060 1.00 16.59 C +ATOM 1136 C VAL A 147 -23.482 17.536 41.986 1.00 16.38 C +ATOM 1137 O VAL A 147 -23.795 17.633 40.799 1.00 15.89 O +ATOM 1138 CB VAL A 147 -25.511 16.958 43.346 1.00 15.92 C +ATOM 1139 CG1 VAL A 147 -24.890 15.722 43.922 1.00 17.10 C +ATOM 1140 CG2 VAL A 147 -26.566 17.573 44.265 1.00 19.20 C +ATOM 1141 N GLU A 148 -22.356 17.003 42.423 1.00 15.57 N +ATOM 1142 CA GLU A 148 -21.383 16.317 41.582 1.00 14.01 C +ATOM 1143 C GLU A 148 -21.558 14.811 41.745 1.00 15.59 C +ATOM 1144 O GLU A 148 -21.648 14.358 42.892 1.00 15.20 O +ATOM 1145 CB GLU A 148 -19.957 16.693 42.003 1.00 15.87 C +ATOM 1146 CG GLU A 148 -18.881 15.920 41.282 1.00 13.80 C +ATOM 1147 CD GLU A 148 -17.490 16.304 41.756 1.00 16.20 C +ATOM 1148 OE1 GLU A 148 -17.141 16.105 42.936 1.00 17.89 O +ATOM 1149 OE2 GLU A 148 -16.767 16.841 40.888 1.00 16.65 O +ATOM 1150 N TYR A 149 -21.639 14.103 40.618 1.00 13.33 N +ATOM 1151 CA TYR A 149 -21.701 12.659 40.618 1.00 14.09 C +ATOM 1152 C TYR A 149 -20.403 12.075 40.106 1.00 15.57 C +ATOM 1153 O TYR A 149 -19.890 12.548 39.094 1.00 15.97 O +ATOM 1154 CB TYR A 149 -22.880 12.152 39.761 1.00 14.06 C +ATOM 1155 CG TYR A 149 -24.188 12.635 40.332 1.00 14.88 C +ATOM 1156 CD1 TYR A 149 -24.604 12.278 41.618 1.00 15.62 C +ATOM 1157 CD2 TYR A 149 -25.001 13.491 39.594 1.00 16.44 C +ATOM 1158 CE1 TYR A 149 -25.799 12.762 42.101 1.00 14.70 C +ATOM 1159 CE2 TYR A 149 -26.206 13.960 40.080 1.00 17.03 C +ATOM 1160 CZ TYR A 149 -26.591 13.583 41.342 1.00 16.66 C +ATOM 1161 OH TYR A 149 -27.799 14.063 41.829 1.00 18.71 O +ATOM 1162 N ILE A 150 -19.885 11.065 40.798 1.00 16.50 N +ATOM 1163 CA ILE A 150 -18.659 10.421 40.328 1.00 16.06 C +ATOM 1164 C ILE A 150 -18.978 8.952 40.078 1.00 17.82 C +ATOM 1165 O ILE A 150 -19.375 8.244 41.007 1.00 16.06 O +ATOM 1166 CB ILE A 150 -17.518 10.570 41.350 1.00 17.03 C +ATOM 1167 CG1 ILE A 150 -17.400 12.019 41.832 1.00 16.83 C +ATOM 1168 CG2 ILE A 150 -16.214 10.026 40.794 1.00 16.27 C +ATOM 1169 CD1 ILE A 150 -16.257 12.269 42.785 1.00 19.52 C +ATOM 1170 N ASN A 151 -18.818 8.560 38.825 1.00 17.38 N +ATOM 1171 CA ASN A 151 -19.208 7.266 38.310 1.00 15.83 C +ATOM 1172 C ASN A 151 -17.994 6.375 38.097 1.00 17.84 C +ATOM 1173 O ASN A 151 -17.006 6.849 37.548 1.00 16.46 O +ATOM 1174 CB ASN A 151 -19.922 7.418 36.969 1.00 15.68 C +ATOM 1175 CG ASN A 151 -21.193 8.222 37.026 1.00 17.01 C +ATOM 1176 OD1 ASN A 151 -22.318 7.750 37.179 1.00 19.59 O +ATOM 1177 ND2 ASN A 151 -21.016 9.512 36.882 1.00 17.28 N +ATOM 1178 N ASN A 152 -18.104 5.114 38.488 1.00 17.06 N +ATOM 1179 CA ASN A 152 -17.020 4.169 38.204 1.00 16.74 C +ATOM 1180 C ASN A 152 -16.933 3.974 36.700 1.00 16.80 C +ATOM 1181 O ASN A 152 -17.955 3.891 36.021 1.00 17.39 O +ATOM 1182 CB ASN A 152 -17.297 2.886 38.973 1.00 15.76 C +ATOM 1183 CG ASN A 152 -16.427 1.758 38.428 1.00 17.50 C +ATOM 1184 OD1 ASN A 152 -16.810 1.088 37.470 1.00 18.79 O +ATOM 1185 ND2 ASN A 152 -15.268 1.571 39.056 1.00 19.80 N +ATOM 1186 N TRP A 153 -15.714 3.939 36.171 1.00 16.45 N +ATOM 1187 CA TRP A 153 -15.545 3.912 34.722 1.00 17.79 C +ATOM 1188 C TRP A 153 -16.195 2.672 34.100 1.00 16.94 C +ATOM 1189 O TRP A 153 -16.844 2.810 33.059 1.00 18.24 O +ATOM 1190 CB TRP A 153 -14.087 3.988 34.328 1.00 16.63 C +ATOM 1191 CG TRP A 153 -13.539 5.376 34.172 1.00 17.85 C +ATOM 1192 CD1 TRP A 153 -12.518 5.963 34.874 1.00 17.24 C +ATOM 1193 CD2 TRP A 153 -14.005 6.344 33.236 1.00 17.64 C +ATOM 1194 NE1 TRP A 153 -12.347 7.231 34.417 1.00 17.29 N +ATOM 1195 CE2 TRP A 153 -13.221 7.518 33.419 1.00 17.08 C +ATOM 1196 CE3 TRP A 153 -14.999 6.350 32.261 1.00 18.17 C +ATOM 1197 CZ2 TRP A 153 -13.455 8.627 32.635 1.00 16.55 C +ATOM 1198 CZ3 TRP A 153 -15.224 7.462 31.489 1.00 17.74 C +ATOM 1199 CH2 TRP A 153 -14.439 8.604 31.690 1.00 17.84 C +ATOM 1200 N GLU A 154 -16.018 1.516 34.717 1.00 18.40 N +ATOM 1201 CA GLU A 154 -16.594 0.326 34.056 1.00 22.08 C +ATOM 1202 C GLU A 154 -18.102 0.320 34.185 1.00 20.13 C +ATOM 1203 O GLU A 154 -18.822 -0.013 33.250 1.00 19.39 O +ATOM 1204 CB GLU A 154 -15.960 -0.935 34.635 1.00 26.96 C +ATOM 1205 CG GLU A 154 -16.435 -2.201 33.947 1.00 30.59 C +ATOM 1206 CD GLU A 154 -15.869 -2.421 32.553 1.00 35.99 C +ATOM 1207 OE1 GLU A 154 -14.943 -1.689 32.120 1.00 36.19 O +ATOM 1208 OE2 GLU A 154 -16.374 -3.365 31.887 1.00 37.59 O +ATOM 1209 N GLN A 155 -18.610 0.748 35.349 1.00 20.18 N +ATOM 1210 CA GLN A 155 -20.077 0.797 35.470 1.00 19.61 C +ATOM 1211 C GLN A 155 -20.712 1.819 34.563 1.00 16.92 C +ATOM 1212 O GLN A 155 -21.852 1.733 34.114 1.00 18.70 O +ATOM 1213 CB GLN A 155 -20.459 1.040 36.936 1.00 19.60 C +ATOM 1214 CG GLN A 155 -19.998 -0.051 37.888 1.00 20.77 C +ATOM 1215 CD GLN A 155 -20.653 -1.406 37.680 1.00 20.87 C +ATOM 1216 OE1 GLN A 155 -21.653 -1.548 36.980 1.00 18.23 O +ATOM 1217 NE2 GLN A 155 -20.086 -2.451 38.282 1.00 24.93 N +ATOM 1218 N ALA A 156 -19.975 2.882 34.263 1.00 15.72 N +ATOM 1219 CA ALA A 156 -20.472 3.954 33.420 1.00 18.09 C +ATOM 1220 C ALA A 156 -20.691 3.486 31.987 1.00 17.75 C +ATOM 1221 O ALA A 156 -21.408 4.170 31.257 1.00 19.08 O +ATOM 1222 CB ALA A 156 -19.490 5.118 33.538 1.00 19.41 C +ATOM 1223 N LYS A 157 -20.117 2.346 31.581 1.00 18.88 N +ATOM 1224 CA LYS A 157 -20.410 1.819 30.248 1.00 19.52 C +ATOM 1225 C LYS A 157 -21.883 1.474 30.053 1.00 19.54 C +ATOM 1226 O LYS A 157 -22.316 1.411 28.891 1.00 26.04 O +ATOM 1227 CB LYS A 157 -19.561 0.585 29.948 1.00 19.20 C +ATOM 1228 CG LYS A 157 -18.080 0.959 29.870 1.00 22.21 C +ATOM 1229 CD LYS A 157 -17.181 -0.259 29.865 1.00 27.44 C +ATOM 1230 CE LYS A 157 -15.852 0.046 29.182 1.00 30.49 C +ATOM 1231 NZ LYS A 157 -14.936 -1.133 29.186 1.00 34.83 N +ATOM 1232 N ALA A 158 -22.622 1.275 31.124 1.00 18.24 N +ATOM 1233 CA ALA A 158 -24.043 0.980 31.096 1.00 20.11 C +ATOM 1234 C ALA A 158 -24.912 2.182 30.758 1.00 18.70 C +ATOM 1235 O ALA A 158 -26.095 2.052 30.441 1.00 20.28 O +ATOM 1236 CB ALA A 158 -24.507 0.424 32.443 1.00 20.47 C +ATOM 1237 N LEU A 159 -24.334 3.388 30.838 1.00 17.88 N +ATOM 1238 CA LEU A 159 -25.083 4.594 30.593 1.00 17.61 C +ATOM 1239 C LEU A 159 -25.622 4.747 29.172 1.00 17.53 C +ATOM 1240 O LEU A 159 -24.914 4.464 28.209 1.00 18.38 O +ATOM 1241 CB LEU A 159 -24.226 5.862 30.867 1.00 16.11 C +ATOM 1242 CG LEU A 159 -23.948 6.125 32.340 1.00 16.39 C +ATOM 1243 CD1 LEU A 159 -22.757 7.077 32.478 1.00 16.79 C +ATOM 1244 CD2 LEU A 159 -25.177 6.667 33.057 1.00 18.80 C +ATOM 1245 N SER A 160 -26.849 5.198 29.090 1.00 18.13 N +ATOM 1246 CA SER A 160 -27.415 5.687 27.852 1.00 21.27 C +ATOM 1247 C SER A 160 -27.199 7.193 27.778 1.00 21.89 C +ATOM 1248 O SER A 160 -27.345 7.941 28.744 1.00 23.53 O +ATOM 1249 CB ASER A 160 -28.907 5.363 27.753 0.33 22.82 C +ATOM 1250 CB BSER A 160 -28.887 5.312 27.705 0.39 22.88 C +ATOM 1251 CB CSER A 160 -28.907 5.359 27.755 0.29 22.79 C +ATOM 1252 OG ASER A 160 -29.352 5.492 26.414 0.33 23.99 O +ATOM 1253 OG BSER A 160 -29.713 6.087 28.546 0.39 22.40 O +ATOM 1254 OG CSER A 160 -29.093 3.954 27.777 0.29 24.95 O +ATOM 1255 N VAL A 161 -26.821 7.626 26.582 1.00 20.16 N +ATOM 1256 CA VAL A 161 -26.420 9.019 26.370 1.00 21.63 C +ATOM 1257 C VAL A 161 -27.350 9.708 25.384 1.00 23.69 C +ATOM 1258 O VAL A 161 -27.548 9.219 24.262 1.00 25.56 O +ATOM 1259 CB VAL A 161 -24.961 9.074 25.885 1.00 22.47 C +ATOM 1260 CG1 VAL A 161 -24.478 10.523 25.764 1.00 21.82 C +ATOM 1261 CG2 VAL A 161 -24.033 8.312 26.814 1.00 20.66 C +ATOM 1262 N GLU A 162 -27.954 10.828 25.787 1.00 21.49 N +ATOM 1263 CA GLU A 162 -28.785 11.635 24.925 1.00 22.66 C +ATOM 1264 C GLU A 162 -28.251 13.061 24.816 1.00 23.65 C +ATOM 1265 O GLU A 162 -27.603 13.539 25.740 1.00 20.58 O +ATOM 1266 CB GLU A 162 -30.229 11.720 25.438 1.00 26.53 C +ATOM 1267 CG GLU A 162 -30.970 10.397 25.260 1.00 33.14 C +ATOM 1268 CD GLU A 162 -32.318 10.423 25.957 1.00 37.93 C +ATOM 1269 OE1 GLU A 162 -32.897 11.516 26.112 1.00 42.73 O +ATOM 1270 OE2 GLU A 162 -32.804 9.328 26.335 1.00 50.57 O +ATOM 1271 N LEU A 163 -28.569 13.719 23.704 1.00 24.34 N +ATOM 1272 CA LEU A 163 -28.223 15.129 23.573 1.00 21.92 C +ATOM 1273 C LEU A 163 -29.185 16.020 24.330 1.00 22.24 C +ATOM 1274 O LEU A 163 -30.409 15.987 24.274 1.00 22.80 O +ATOM 1275 CB LEU A 163 -28.198 15.568 22.110 1.00 23.02 C +ATOM 1276 CG LEU A 163 -27.709 17.021 21.886 1.00 25.64 C +ATOM 1277 CD1 LEU A 163 -26.269 17.194 22.327 1.00 27.59 C +ATOM 1278 CD2 LEU A 163 -27.882 17.402 20.427 1.00 27.64 C +ATOM 1279 N GLU A 164 -28.588 16.932 25.096 1.00 21.87 N +ATOM 1280 CA GLU A 164 -29.325 17.979 25.753 1.00 20.60 C +ATOM 1281 C GLU A 164 -29.239 19.250 24.918 1.00 21.03 C +ATOM 1282 O GLU A 164 -30.264 19.828 24.551 1.00 23.87 O +ATOM 1283 CB GLU A 164 -28.781 18.181 27.170 1.00 22.93 C +ATOM 1284 CG GLU A 164 -29.671 18.827 28.186 1.00 25.51 C +ATOM 1285 CD GLU A 164 -31.068 18.243 28.307 1.00 25.72 C +ATOM 1286 OE1 GLU A 164 -31.289 17.022 28.445 1.00 27.41 O +ATOM 1287 OE2 GLU A 164 -31.978 19.103 28.279 1.00 27.18 O +ATOM 1288 N ILE A 165 -28.045 19.698 24.582 1.00 22.05 N +ATOM 1289 CA ILE A 165 -27.834 20.815 23.659 1.00 21.57 C +ATOM 1290 C ILE A 165 -26.451 20.714 23.020 1.00 19.98 C +ATOM 1291 O ILE A 165 -25.459 20.293 23.591 1.00 20.42 O +ATOM 1292 CB ILE A 165 -28.001 22.196 24.314 1.00 24.30 C +ATOM 1293 CG1 ILE A 165 -27.814 23.366 23.344 1.00 24.23 C +ATOM 1294 CG2 ILE A 165 -27.078 22.288 25.522 1.00 22.63 C +ATOM 1295 CD1 ILE A 165 -28.347 24.684 23.846 1.00 30.27 C +ATOM 1296 N ASN A 166 -26.380 21.108 21.759 1.00 21.74 N +ATOM 1297 CA ASN A 166 -25.142 21.221 21.002 1.00 22.29 C +ATOM 1298 C ASN A 166 -25.015 22.703 20.635 1.00 22.30 C +ATOM 1299 O ASN A 166 -25.717 23.243 19.780 1.00 24.47 O +ATOM 1300 CB ASN A 166 -25.082 20.309 19.782 1.00 22.15 C +ATOM 1301 CG ASN A 166 -23.793 20.431 19.005 1.00 22.18 C +ATOM 1302 OD1 ASN A 166 -23.110 21.466 19.040 1.00 23.65 O +ATOM 1303 ND2 ASN A 166 -23.366 19.405 18.285 1.00 25.69 N +ATOM 1304 N PHE A 167 -24.084 23.347 21.331 1.00 21.08 N +ATOM 1305 CA PHE A 167 -23.948 24.784 21.202 1.00 21.90 C +ATOM 1306 C PHE A 167 -23.570 25.222 19.790 1.00 23.28 C +ATOM 1307 O PHE A 167 -23.990 26.315 19.400 1.00 23.29 O +ATOM 1308 CB PHE A 167 -22.902 25.300 22.224 1.00 19.32 C +ATOM 1309 CG PHE A 167 -23.393 25.127 23.663 1.00 19.07 C +ATOM 1310 CD1 PHE A 167 -24.615 25.606 24.065 1.00 20.13 C +ATOM 1311 CD2 PHE A 167 -22.594 24.478 24.590 1.00 19.52 C +ATOM 1312 CE1 PHE A 167 -25.090 25.429 25.354 1.00 22.29 C +ATOM 1313 CE2 PHE A 167 -23.054 24.293 25.878 1.00 20.58 C +ATOM 1314 CZ PHE A 167 -24.277 24.771 26.267 1.00 21.76 C +ATOM 1315 N GLU A 168 -22.803 24.381 19.115 1.00 26.14 N +ATOM 1316 CA GLU A 168 -22.278 24.730 17.796 1.00 27.70 C +ATOM 1317 C GLU A 168 -23.381 24.741 16.745 1.00 31.70 C +ATOM 1318 O GLU A 168 -23.296 25.477 15.758 1.00 35.29 O +ATOM 1319 CB GLU A 168 -21.147 23.781 17.404 1.00 27.91 C +ATOM 1320 CG GLU A 168 -19.911 23.885 18.288 1.00 29.80 C +ATOM 1321 CD GLU A 168 -18.671 23.239 17.720 1.00 30.35 C +ATOM 1322 OE1 GLU A 168 -17.900 23.911 16.983 1.00 29.99 O +ATOM 1323 OE2 GLU A 168 -18.427 22.053 18.013 1.00 33.31 O +ATOM 1324 N THR A 169 -24.415 23.933 16.953 1.00 32.58 N +ATOM 1325 CA THR A 169 -25.517 23.811 16.001 1.00 34.09 C +ATOM 1326 C THR A 169 -26.263 25.126 15.831 1.00 37.41 C +ATOM 1327 O THR A 169 -26.821 25.378 14.760 1.00 41.53 O +ATOM 1328 CB THR A 169 -26.463 22.683 16.474 1.00 33.72 C +ATOM 1329 OG1 THR A 169 -25.696 21.467 16.577 1.00 37.98 O +ATOM 1330 CG2 THR A 169 -27.565 22.437 15.467 1.00 33.80 C +ATOM 1331 N ARG A 170 -26.255 25.950 16.865 1.00 38.08 N +ATOM 1332 CA ARG A 170 -26.853 27.274 16.910 1.00 40.37 C +ATOM 1333 C ARG A 170 -26.181 28.240 15.940 1.00 38.10 C +ATOM 1334 O ARG A 170 -26.794 29.229 15.556 1.00 40.01 O +ATOM 1335 CB ARG A 170 -26.780 27.826 18.338 1.00 44.75 C +ATOM 1336 CG ARG A 170 -27.311 26.867 19.406 1.00 48.80 C +ATOM 1337 CD ARG A 170 -28.614 26.207 18.975 1.00 52.25 C +ATOM 1338 NE ARG A 170 -29.077 25.126 19.831 1.00 55.02 N +ATOM 1339 CZ ARG A 170 -30.135 25.118 20.636 1.00 57.75 C +ATOM 1340 NH1 ARG A 170 -30.950 26.155 20.773 1.00 61.34 N +ATOM 1341 NH2 ARG A 170 -30.406 24.023 21.350 1.00 62.16 N +ATOM 1342 N GLY A 171 -24.954 27.947 15.546 1.00 37.71 N +ATOM 1343 CA GLY A 171 -24.186 28.680 14.566 1.00 37.30 C +ATOM 1344 C GLY A 171 -23.959 30.128 14.925 1.00 37.09 C +ATOM 1345 O GLY A 171 -23.921 30.986 14.036 1.00 35.87 O +ATOM 1346 N LYS A 172 -23.802 30.408 16.216 1.00 33.80 N +ATOM 1347 CA LYS A 172 -23.639 31.777 16.702 1.00 32.35 C +ATOM 1348 C LYS A 172 -22.161 32.114 16.899 1.00 29.10 C +ATOM 1349 O LYS A 172 -21.318 31.227 16.836 1.00 24.95 O +ATOM 1350 CB LYS A 172 -24.434 31.986 18.000 1.00 33.93 C +ATOM 1351 CG LYS A 172 -25.943 31.863 17.764 1.00 35.23 C +ATOM 1352 CD ALYS A 172 -26.725 32.625 18.810 0.53 36.83 C +ATOM 1353 CD BLYS A 172 -26.723 32.676 18.779 0.47 36.83 C +ATOM 1354 CE ALYS A 172 -27.254 33.945 18.268 0.53 37.96 C +ATOM 1355 CE BLYS A 172 -26.192 32.455 20.193 0.47 36.68 C +ATOM 1356 NZ ALYS A 172 -28.388 34.462 19.092 0.53 42.68 N +ATOM 1357 NZ BLYS A 172 -27.110 33.013 21.223 0.47 35.18 N +ATOM 1358 N ARG A 173 -21.900 33.392 17.130 1.00 29.09 N +ATOM 1359 CA ARG A 173 -20.561 33.911 17.306 1.00 26.88 C +ATOM 1360 C ARG A 173 -20.038 33.637 18.719 1.00 27.46 C +ATOM 1361 O ARG A 173 -20.856 33.599 19.636 1.00 27.87 O +ATOM 1362 CB ARG A 173 -20.550 35.423 17.064 1.00 27.77 C +ATOM 1363 CG ARG A 173 -20.828 35.904 15.662 1.00 31.22 C +ATOM 1364 CD ARG A 173 -19.864 35.388 14.636 1.00 36.01 C +ATOM 1365 NE ARG A 173 -18.474 35.709 14.867 1.00 40.36 N +ATOM 1366 CZ ARG A 173 -17.853 36.862 14.686 1.00 41.65 C +ATOM 1367 NH1 ARG A 173 -18.518 37.915 14.231 1.00 43.59 N +ATOM 1368 NH2 ARG A 173 -16.557 36.920 14.968 1.00 41.32 N +ATOM 1369 N GLY A 174 -18.734 33.484 18.834 1.00 27.23 N +ATOM 1370 CA GLY A 174 -17.989 33.335 20.064 1.00 26.61 C +ATOM 1371 C GLY A 174 -18.590 32.272 20.982 1.00 25.73 C +ATOM 1372 O GLY A 174 -18.767 31.149 20.505 1.00 31.10 O +ATOM 1373 N GLN A 175 -18.854 32.662 22.226 1.00 23.39 N +ATOM 1374 CA GLN A 175 -19.466 31.774 23.212 1.00 21.40 C +ATOM 1375 C GLN A 175 -20.895 32.158 23.490 1.00 21.60 C +ATOM 1376 O GLN A 175 -21.495 31.873 24.523 1.00 20.31 O +ATOM 1377 CB GLN A 175 -18.614 31.808 24.504 1.00 20.73 C +ATOM 1378 CG GLN A 175 -17.306 31.075 24.279 1.00 19.75 C +ATOM 1379 CD GLN A 175 -16.360 31.102 25.483 1.00 19.90 C +ATOM 1380 OE1 GLN A 175 -16.721 31.686 26.509 1.00 22.21 O +ATOM 1381 NE2 GLN A 175 -15.243 30.436 25.342 1.00 22.20 N +ATOM 1382 N ASP A 176 -21.538 32.835 22.534 1.00 23.06 N +ATOM 1383 CA ASP A 176 -22.852 33.412 22.766 1.00 21.75 C +ATOM 1384 C ASP A 176 -23.884 32.344 23.120 1.00 21.73 C +ATOM 1385 O ASP A 176 -24.737 32.531 23.994 1.00 24.50 O +ATOM 1386 CB ASP A 176 -23.331 34.139 21.517 1.00 24.68 C +ATOM 1387 CG ASP A 176 -22.710 35.460 21.172 1.00 25.05 C +ATOM 1388 OD1 ASP A 176 -21.698 35.874 21.763 1.00 19.38 O +ATOM 1389 OD2 ASP A 176 -23.274 36.127 20.267 1.00 25.15 O +ATOM 1390 N ALA A 177 -23.808 31.231 22.386 1.00 21.25 N +ATOM 1391 CA ALA A 177 -24.867 30.219 22.610 1.00 22.00 C +ATOM 1392 C ALA A 177 -24.770 29.610 24.001 1.00 21.03 C +ATOM 1393 O ALA A 177 -25.789 29.433 24.674 1.00 23.41 O +ATOM 1394 CB ALA A 177 -24.781 29.157 21.520 1.00 21.41 C +ATOM 1395 N MET A 178 -23.548 29.298 24.422 1.00 20.44 N +ATOM 1396 CA MET A 178 -23.299 28.827 25.781 1.00 18.94 C +ATOM 1397 C MET A 178 -23.817 29.813 26.810 1.00 22.64 C +ATOM 1398 O MET A 178 -24.525 29.460 27.758 1.00 22.59 O +ATOM 1399 CB MET A 178 -21.813 28.574 26.040 1.00 21.18 C +ATOM 1400 CG MET A 178 -21.512 28.044 27.434 1.00 22.56 C +ATOM 1401 SD MET A 178 -19.751 27.811 27.732 1.00 23.69 S +ATOM 1402 CE MET A 178 -19.250 29.473 28.159 1.00 24.54 C +ATOM 1403 N TYR A 179 -23.466 31.104 26.667 1.00 21.41 N +ATOM 1404 CA TYR A 179 -23.960 32.040 27.678 1.00 22.69 C +ATOM 1405 C TYR A 179 -25.454 32.262 27.586 1.00 22.21 C +ATOM 1406 O TYR A 179 -26.066 32.457 28.645 1.00 22.06 O +ATOM 1407 CB TYR A 179 -23.179 33.375 27.616 1.00 22.85 C +ATOM 1408 CG TYR A 179 -21.818 33.157 28.285 1.00 21.35 C +ATOM 1409 CD1 TYR A 179 -21.761 33.003 29.671 1.00 22.70 C +ATOM 1410 CD2 TYR A 179 -20.638 33.091 27.576 1.00 22.12 C +ATOM 1411 CE1 TYR A 179 -20.558 32.800 30.321 1.00 20.85 C +ATOM 1412 CE2 TYR A 179 -19.418 32.886 28.224 1.00 22.73 C +ATOM 1413 CZ TYR A 179 -19.392 32.749 29.599 1.00 21.36 C +ATOM 1414 OH TYR A 179 -18.190 32.532 30.242 1.00 22.87 O +ATOM 1415 N GLU A 180 -26.109 32.224 26.417 1.00 21.13 N +ATOM 1416 CA GLU A 180 -27.570 32.370 26.403 1.00 22.65 C +ATOM 1417 C GLU A 180 -28.231 31.228 27.176 1.00 19.77 C +ATOM 1418 O GLU A 180 -29.179 31.397 27.933 1.00 24.24 O +ATOM 1419 CB GLU A 180 -28.117 32.392 24.984 1.00 27.41 C +ATOM 1420 CG GLU A 180 -29.613 32.559 24.819 1.00 35.19 C +ATOM 1421 CD GLU A 180 -30.019 32.827 23.378 1.00 40.97 C +ATOM 1422 OE1 GLU A 180 -29.203 33.453 22.657 1.00 43.66 O +ATOM 1423 OE2 GLU A 180 -31.130 32.411 22.981 1.00 43.36 O +ATOM 1424 N TYR A 181 -27.697 30.030 26.953 1.00 19.21 N +ATOM 1425 CA TYR A 181 -28.171 28.845 27.668 1.00 21.61 C +ATOM 1426 C TYR A 181 -28.054 29.022 29.166 1.00 22.49 C +ATOM 1427 O TYR A 181 -28.995 28.803 29.914 1.00 20.82 O +ATOM 1428 CB TYR A 181 -27.360 27.638 27.210 1.00 21.14 C +ATOM 1429 CG TYR A 181 -27.795 26.282 27.692 1.00 22.02 C +ATOM 1430 CD1 TYR A 181 -29.035 25.772 27.293 1.00 23.40 C +ATOM 1431 CD2 TYR A 181 -26.968 25.533 28.514 1.00 22.60 C +ATOM 1432 CE1 TYR A 181 -29.429 24.518 27.739 1.00 23.80 C +ATOM 1433 CE2 TYR A 181 -27.359 24.286 28.957 1.00 21.34 C +ATOM 1434 CZ TYR A 181 -28.589 23.802 28.554 1.00 21.78 C +ATOM 1435 OH TYR A 181 -28.964 22.548 29.005 1.00 23.03 O +ATOM 1436 N MET A 182 -26.866 29.402 29.660 1.00 23.66 N +ATOM 1437 CA MET A 182 -26.697 29.591 31.092 1.00 22.94 C +ATOM 1438 C MET A 182 -27.665 30.600 31.680 1.00 24.15 C +ATOM 1439 O MET A 182 -28.048 30.494 32.845 1.00 26.00 O +ATOM 1440 CB MET A 182 -25.232 30.011 31.378 1.00 21.24 C +ATOM 1441 CG MET A 182 -24.272 28.851 31.129 1.00 22.02 C +ATOM 1442 SD MET A 182 -22.522 29.346 31.266 1.00 27.98 S +ATOM 1443 CE MET A 182 -21.707 27.771 31.270 1.00 27.19 C +ATOM 1444 N ALA A 183 -28.064 31.608 30.908 1.00 23.75 N +ATOM 1445 CA ALA A 183 -28.956 32.647 31.395 1.00 27.11 C +ATOM 1446 C ALA A 183 -30.370 32.125 31.639 1.00 28.63 C +ATOM 1447 O ALA A 183 -31.135 32.700 32.411 1.00 25.81 O +ATOM 1448 CB ALA A 183 -29.010 33.801 30.414 1.00 27.66 C +ATOM 1449 N GLN A 184 -30.709 31.023 30.976 1.00 30.12 N +ATOM 1450 CA GLN A 184 -32.009 30.410 31.266 1.00 31.60 C +ATOM 1451 C GLN A 184 -32.130 30.041 32.739 1.00 30.71 C +ATOM 1452 O GLN A 184 -33.242 29.992 33.287 1.00 32.22 O +ATOM 1453 CB GLN A 184 -32.219 29.164 30.406 1.00 32.96 C +ATOM 1454 CG GLN A 184 -32.108 29.375 28.907 1.00 34.99 C +ATOM 1455 CD GLN A 184 -32.178 28.051 28.157 1.00 37.69 C +ATOM 1456 OE1 GLN A 184 -32.455 26.992 28.723 1.00 37.22 O +ATOM 1457 NE2 GLN A 184 -31.898 28.143 26.862 1.00 46.28 N +ATOM 1458 N ALA A 185 -31.000 29.770 33.385 1.00 29.89 N +ATOM 1459 CA ALA A 185 -30.950 29.438 34.799 1.00 32.20 C +ATOM 1460 C ALA A 185 -31.714 30.462 35.643 1.00 34.08 C +ATOM 1461 O ALA A 185 -32.562 30.069 36.446 1.00 37.18 O +ATOM 1462 CB ALA A 185 -29.530 29.356 35.321 1.00 33.49 C +ATOM 1463 N CYS A 186 -31.404 31.730 35.433 1.00 32.16 N +ATOM 1464 CA ACYS A 186 -32.132 32.755 36.192 0.39 33.48 C +ATOM 1465 CA BCYS A 186 -31.879 32.915 36.089 0.61 33.07 C +ATOM 1466 C ACYS A 186 -33.426 33.181 35.498 0.39 34.98 C +ATOM 1467 C BCYS A 186 -33.329 33.247 35.747 0.61 35.01 C +ATOM 1468 O ACYS A 186 -34.138 34.043 36.015 0.39 34.36 O +ATOM 1469 O BCYS A 186 -34.123 33.541 36.632 0.61 36.05 O +ATOM 1470 CB ACYS A 186 -31.286 34.013 36.412 0.39 32.25 C +ATOM 1471 CB BCYS A 186 -31.018 34.123 35.661 0.61 30.59 C +ATOM 1472 SG ACYS A 186 -30.456 34.589 34.927 0.39 26.51 S +ATOM 1473 SG BCYS A 186 -31.232 35.565 36.703 0.61 30.94 S +ATOM 1474 N AALA A 187 -33.691 32.591 34.340 0.39 36.53 N +ATOM 1475 N BALA A 187 -33.610 33.263 34.450 0.61 36.40 N +ATOM 1476 CA AALA A 187 -34.843 32.940 33.525 0.39 37.55 C +ATOM 1477 CA BALA A 187 -34.887 33.711 33.926 0.61 37.80 C +ATOM 1478 C AALA A 187 -34.786 32.275 32.158 0.39 38.61 C +ATOM 1479 C BALA A 187 -35.433 32.743 32.880 0.61 38.08 C +ATOM 1480 O AALA A 187 -35.779 32.252 31.428 0.39 38.77 O +ATOM 1481 O BALA A 187 -35.491 31.537 33.155 0.61 41.63 O +ATOM 1482 CB AALA A 187 -34.932 34.451 33.364 0.39 40.73 C +ATOM 1483 CB BALA A 187 -34.720 35.107 33.351 0.61 41.36 C +ATOM 1484 N ACYS A 201 -31.610 38.985 36.040 0.39 35.63 N +ATOM 1485 N BCYS A 201 -32.625 39.503 35.836 0.61 38.23 N +ATOM 1486 CA ACYS A 201 -31.279 38.044 34.979 0.39 32.95 C +ATOM 1487 CA BCYS A 201 -31.722 38.711 35.010 0.61 33.44 C +ATOM 1488 C ACYS A 201 -31.094 38.755 33.638 0.39 33.47 C +ATOM 1489 C BCYS A 201 -31.279 39.481 33.780 0.61 33.21 C +ATOM 1490 O ACYS A 201 -31.995 38.766 32.800 0.39 28.21 O +ATOM 1491 O BCYS A 201 -32.082 40.153 33.129 0.61 23.88 O +ATOM 1492 CB ACYS A 201 -32.355 36.961 34.854 0.39 32.43 C +ATOM 1493 CB BCYS A 201 -32.414 37.403 34.603 0.61 33.04 C +ATOM 1494 SG ACYS A 201 -31.864 35.556 33.832 0.39 24.61 S +ATOM 1495 SG BCYS A 201 -32.925 36.485 36.080 0.61 31.50 S +ATOM 1496 N AILE A 202 -29.915 39.334 33.459 0.39 34.15 N +ATOM 1497 N BILE A 202 -29.981 39.379 33.466 0.61 34.12 N +ATOM 1498 CA ILE A 202 -29.520 40.059 32.253 1.00 36.28 C +ATOM 1499 C ILE A 202 -29.347 39.047 31.128 1.00 35.06 C +ATOM 1500 O ILE A 202 -28.561 38.105 31.243 1.00 35.75 O +ATOM 1501 CB ILE A 202 -28.218 40.855 32.446 1.00 40.12 C +ATOM 1502 CG1 ILE A 202 -28.088 41.644 33.753 1.00 44.18 C +ATOM 1503 CG2 ILE A 202 -27.989 41.792 31.261 1.00 41.15 C +ATOM 1504 CD1 ILE A 202 -28.976 42.853 33.886 1.00 45.97 C +ATOM 1505 N ASN A 203 -30.088 39.180 30.027 1.00 35.47 N +ATOM 1506 CA ASN A 203 -29.876 38.188 28.972 1.00 34.74 C +ATOM 1507 C ASN A 203 -29.931 38.857 27.603 1.00 33.79 C +ATOM 1508 O ASN A 203 -30.838 38.756 26.794 1.00 35.41 O +ATOM 1509 CB ASN A 203 -30.870 37.034 29.035 1.00 36.28 C +ATOM 1510 CG ASN A 203 -30.651 35.994 27.959 1.00 35.90 C +ATOM 1511 OD1 ASN A 203 -31.589 35.302 27.562 1.00 37.49 O +ATOM 1512 ND2 ASN A 203 -29.457 35.809 27.421 1.00 35.48 N +ATOM 1513 N LEU A 204 -28.849 39.584 27.364 1.00 31.80 N +ATOM 1514 CA LEU A 204 -28.800 40.420 26.177 1.00 27.59 C +ATOM 1515 C LEU A 204 -28.570 39.615 24.912 1.00 25.21 C +ATOM 1516 O LEU A 204 -27.988 38.535 24.894 1.00 27.31 O +ATOM 1517 CB LEU A 204 -27.711 41.477 26.344 1.00 24.76 C +ATOM 1518 CG LEU A 204 -27.857 42.361 27.580 1.00 26.85 C +ATOM 1519 CD1 LEU A 204 -26.700 43.354 27.648 1.00 29.30 C +ATOM 1520 CD2 LEU A 204 -29.172 43.117 27.550 1.00 28.99 C +ATOM 1521 N ASP A 205 -29.083 40.223 23.836 1.00 23.81 N +ATOM 1522 CA ASP A 205 -28.860 39.682 22.511 1.00 26.45 C +ATOM 1523 C ASP A 205 -27.575 40.274 21.942 1.00 27.13 C +ATOM 1524 O ASP A 205 -27.566 41.444 21.571 1.00 27.15 O +ATOM 1525 CB ASP A 205 -30.066 39.980 21.611 1.00 28.26 C +ATOM 1526 CG ASP A 205 -29.937 39.289 20.274 1.00 31.01 C +ATOM 1527 OD1 ASP A 205 -28.823 39.036 19.779 1.00 30.51 O +ATOM 1528 OD2 ASP A 205 -30.985 38.964 19.662 1.00 42.33 O +ATOM 1529 N TRP A 206 -26.536 39.459 21.914 1.00 27.34 N +ATOM 1530 CA TRP A 206 -25.203 39.946 21.555 1.00 26.43 C +ATOM 1531 C TRP A 206 -25.107 40.139 20.055 1.00 29.52 C +ATOM 1532 O TRP A 206 -24.305 40.936 19.562 1.00 28.68 O +ATOM 1533 CB TRP A 206 -24.141 39.032 22.200 1.00 25.41 C +ATOM 1534 CG TRP A 206 -24.114 39.335 23.686 1.00 25.29 C +ATOM 1535 CD1 TRP A 206 -24.707 38.596 24.675 1.00 21.62 C +ATOM 1536 CD2 TRP A 206 -23.480 40.436 24.356 1.00 26.26 C +ATOM 1537 NE1 TRP A 206 -24.484 39.168 25.912 1.00 23.76 N +ATOM 1538 CE2 TRP A 206 -23.729 40.304 25.738 1.00 25.35 C +ATOM 1539 CE3 TRP A 206 -22.720 41.538 23.934 1.00 23.94 C +ATOM 1540 CZ2 TRP A 206 -23.274 41.187 26.723 1.00 25.57 C +ATOM 1541 CZ3 TRP A 206 -22.278 42.402 24.911 1.00 24.20 C +ATOM 1542 CH2 TRP A 206 -22.529 42.258 26.273 1.00 22.78 C +ATOM 1543 N ASP A 207 -25.977 39.474 19.285 1.00 31.47 N +ATOM 1544 CA ASP A 207 -26.028 39.726 17.841 1.00 32.53 C +ATOM 1545 C ASP A 207 -26.498 41.148 17.558 1.00 30.43 C +ATOM 1546 O ASP A 207 -25.922 41.847 16.737 1.00 36.24 O +ATOM 1547 CB ASP A 207 -26.940 38.738 17.113 1.00 35.34 C +ATOM 1548 CG ASP A 207 -26.275 37.398 16.861 1.00 38.91 C +ATOM 1549 OD1 ASP A 207 -25.051 37.358 16.621 1.00 44.44 O +ATOM 1550 OD2 ASP A 207 -26.989 36.370 16.903 1.00 47.65 O +ATOM 1551 N VAL A 208 -27.537 41.590 18.240 1.00 28.94 N +ATOM 1552 CA VAL A 208 -28.033 42.952 18.125 1.00 28.35 C +ATOM 1553 C VAL A 208 -27.019 43.975 18.628 1.00 30.71 C +ATOM 1554 O VAL A 208 -26.862 45.063 18.078 1.00 28.89 O +ATOM 1555 CB VAL A 208 -29.341 43.090 18.927 1.00 30.12 C +ATOM 1556 CG1 VAL A 208 -29.701 44.539 19.141 1.00 32.67 C +ATOM 1557 CG2 VAL A 208 -30.428 42.334 18.174 1.00 29.93 C +ATOM 1558 N ILE A 209 -26.319 43.609 19.713 1.00 28.93 N +ATOM 1559 CA ILE A 209 -25.330 44.536 20.251 1.00 27.76 C +ATOM 1560 C ILE A 209 -24.146 44.688 19.314 1.00 27.64 C +ATOM 1561 O ILE A 209 -23.599 45.786 19.165 1.00 31.56 O +ATOM 1562 CB ILE A 209 -24.851 44.094 21.648 1.00 26.06 C +ATOM 1563 CG1 ILE A 209 -25.896 44.308 22.741 1.00 24.42 C +ATOM 1564 CG2 ILE A 209 -23.539 44.791 22.000 1.00 29.40 C +ATOM 1565 CD1 ILE A 209 -25.651 43.525 24.007 1.00 23.45 C +ATOM 1566 N ARG A 210 -23.728 43.612 18.666 1.00 28.26 N +ATOM 1567 CA ARG A 210 -22.646 43.676 17.687 1.00 31.32 C +ATOM 1568 C ARG A 210 -23.015 44.635 16.551 1.00 34.20 C +ATOM 1569 O ARG A 210 -22.268 45.543 16.184 1.00 36.53 O +ATOM 1570 CB ARG A 210 -22.334 42.278 17.170 1.00 30.54 C +ATOM 1571 CG ARG A 210 -21.316 41.480 17.954 1.00 32.41 C +ATOM 1572 CD ARG A 210 -20.998 40.133 17.321 1.00 31.86 C +ATOM 1573 NE ARG A 210 -20.332 39.240 18.268 1.00 30.83 N +ATOM 1574 CZ ARG A 210 -20.889 38.426 19.145 1.00 29.12 C +ATOM 1575 NH1 ARG A 210 -22.206 38.337 19.245 1.00 33.56 N +ATOM 1576 NH2 ARG A 210 -20.143 37.675 19.946 1.00 30.45 N +ATOM 1577 N ASP A 211 -24.195 44.467 15.969 1.00 34.50 N +ATOM 1578 CA ASP A 211 -24.632 45.358 14.895 1.00 35.24 C +ATOM 1579 C ASP A 211 -24.804 46.794 15.356 1.00 35.13 C +ATOM 1580 O ASP A 211 -24.360 47.719 14.670 1.00 41.13 O +ATOM 1581 CB AASP A 211 -25.963 44.880 14.303 0.42 36.16 C +ATOM 1582 CB BASP A 211 -25.931 44.788 14.323 0.58 36.23 C +ATOM 1583 CG AASP A 211 -25.909 43.427 13.878 0.42 36.12 C +ATOM 1584 CG BASP A 211 -26.635 45.709 13.350 0.58 36.04 C +ATOM 1585 OD1AASP A 211 -24.794 42.963 13.560 0.42 39.38 O +ATOM 1586 OD1BASP A 211 -25.996 46.150 12.380 0.58 37.49 O +ATOM 1587 OD2AASP A 211 -26.977 42.775 13.875 0.42 36.69 O +ATOM 1588 OD2BASP A 211 -27.834 45.969 13.587 0.58 36.49 O +ATOM 1589 N LYS A 212 -25.448 47.029 16.501 1.00 32.74 N +ATOM 1590 CA LYS A 212 -25.533 48.398 16.989 1.00 32.11 C +ATOM 1591 C LYS A 212 -24.137 48.992 17.169 1.00 33.93 C +ATOM 1592 O LYS A 212 -23.949 50.186 16.924 1.00 33.31 O +ATOM 1593 CB LYS A 212 -26.282 48.501 18.314 1.00 31.86 C +ATOM 1594 CG LYS A 212 -27.776 48.219 18.181 1.00 31.91 C +ATOM 1595 CD LYS A 212 -28.507 48.516 19.481 1.00 33.31 C +ATOM 1596 CE LYS A 212 -30.006 48.336 19.276 1.00 36.81 C +ATOM 1597 NZ LYS A 212 -30.807 49.503 19.744 1.00 41.75 N +ATOM 1598 N THR A 213 -23.191 48.155 17.603 1.00 33.88 N +ATOM 1599 CA THR A 213 -21.849 48.688 17.833 1.00 33.51 C +ATOM 1600 C THR A 213 -21.227 49.104 16.507 1.00 34.53 C +ATOM 1601 O THR A 213 -20.620 50.162 16.364 1.00 31.48 O +ATOM 1602 CB THR A 213 -20.939 47.685 18.564 1.00 32.27 C +ATOM 1603 OG1 THR A 213 -21.543 47.243 19.777 1.00 31.05 O +ATOM 1604 CG2 THR A 213 -19.664 48.394 18.998 1.00 30.63 C +ATOM 1605 N LYS A 214 -21.369 48.298 15.453 1.00 35.36 N +ATOM 1606 CA LYS A 214 -20.782 48.747 14.191 1.00 38.30 C +ATOM 1607 C LYS A 214 -21.459 50.018 13.699 1.00 37.56 C +ATOM 1608 O LYS A 214 -20.832 50.932 13.175 1.00 37.60 O +ATOM 1609 CB LYS A 214 -20.902 47.666 13.124 1.00 40.57 C +ATOM 1610 CG LYS A 214 -20.145 46.389 13.423 1.00 43.25 C +ATOM 1611 CD LYS A 214 -20.254 45.375 12.295 1.00 46.93 C +ATOM 1612 CE LYS A 214 -19.458 45.817 11.073 1.00 48.95 C +ATOM 1613 NZ LYS A 214 -20.037 45.226 9.822 1.00 55.87 N +ATOM 1614 N THR A 215 -22.776 50.053 13.854 1.00 37.40 N +ATOM 1615 CA THR A 215 -23.520 51.176 13.302 1.00 37.62 C +ATOM 1616 C THR A 215 -23.147 52.442 14.053 1.00 38.78 C +ATOM 1617 O THR A 215 -23.098 53.544 13.510 1.00 38.59 O +ATOM 1618 CB THR A 215 -25.035 50.919 13.373 1.00 37.20 C +ATOM 1619 OG1 THR A 215 -25.316 49.700 12.658 1.00 34.77 O +ATOM 1620 CG2 THR A 215 -25.815 52.024 12.689 1.00 40.71 C +ATOM 1621 N LYS A 216 -22.876 52.263 15.346 1.00 37.88 N +ATOM 1622 CA LYS A 216 -22.541 53.459 16.128 1.00 37.45 C +ATOM 1623 C LYS A 216 -21.112 53.890 15.814 1.00 38.58 C +ATOM 1624 O LYS A 216 -20.816 55.082 15.707 1.00 39.54 O +ATOM 1625 CB LYS A 216 -22.765 53.193 17.612 1.00 36.34 C +ATOM 1626 CG LYS A 216 -24.195 53.386 18.085 1.00 35.29 C +ATOM 1627 CD LYS A 216 -24.510 52.551 19.306 1.00 33.23 C +ATOM 1628 CE LYS A 216 -25.941 52.749 19.775 1.00 31.24 C +ATOM 1629 NZ LYS A 216 -26.544 53.998 19.253 1.00 34.97 N +ATOM 1630 N ILE A 217 -20.219 52.913 15.650 1.00 38.15 N +ATOM 1631 CA ILE A 217 -18.833 53.237 15.337 1.00 38.69 C +ATOM 1632 C ILE A 217 -18.784 54.084 14.062 1.00 40.95 C +ATOM 1633 O ILE A 217 -18.299 55.217 14.070 1.00 35.47 O +ATOM 1634 CB ILE A 217 -17.945 52.003 15.157 1.00 38.82 C +ATOM 1635 CG1 ILE A 217 -17.615 51.249 16.447 1.00 39.71 C +ATOM 1636 CG2 ILE A 217 -16.666 52.392 14.425 1.00 40.07 C +ATOM 1637 CD1 ILE A 217 -16.875 49.941 16.243 1.00 34.49 C +ATOM 1638 N GLU A 218 -19.294 53.486 12.987 1.00 42.69 N +ATOM 1639 CA GLU A 218 -19.366 54.175 11.701 1.00 44.79 C +ATOM 1640 C GLU A 218 -19.981 55.563 11.867 1.00 43.58 C +ATOM 1641 O GLU A 218 -19.464 56.542 11.327 1.00 41.34 O +ATOM 1642 CB GLU A 218 -20.175 53.358 10.689 1.00 46.64 C +ATOM 1643 CG GLU A 218 -20.110 53.881 9.264 1.00 50.72 C +ATOM 1644 N SER A 219 -21.069 55.628 12.628 1.00 43.33 N +ATOM 1645 CA SER A 219 -21.729 56.903 12.872 1.00 44.51 C +ATOM 1646 C SER A 219 -20.708 57.895 13.432 1.00 44.93 C +ATOM 1647 O SER A 219 -20.646 59.056 13.025 1.00 46.02 O +ATOM 1648 CB SER A 219 -22.909 56.770 13.830 1.00 45.68 C +ATOM 1649 OG SER A 219 -24.066 56.224 13.226 1.00 47.73 O +ATOM 1650 N LEU A 220 -19.898 57.424 14.383 1.00 44.94 N +ATOM 1651 CA LEU A 220 -19.035 58.387 15.080 1.00 44.27 C +ATOM 1652 C LEU A 220 -17.883 58.854 14.216 1.00 44.25 C +ATOM 1653 O LEU A 220 -17.403 59.996 14.291 1.00 42.25 O +ATOM 1654 CB LEU A 220 -18.535 57.748 16.373 1.00 43.87 C +ATOM 1655 CG LEU A 220 -19.605 57.479 17.435 1.00 45.45 C +ATOM 1656 CD1 LEU A 220 -19.197 56.300 18.306 1.00 47.74 C +ATOM 1657 CD2 LEU A 220 -19.852 58.733 18.262 1.00 39.73 C +ATOM 1658 N LYS A 221 -17.406 57.965 13.357 1.00 44.41 N +ATOM 1659 CA LYS A 221 -16.283 58.336 12.499 1.00 44.72 C +ATOM 1660 C LYS A 221 -16.621 59.397 11.459 1.00 46.21 C +ATOM 1661 O LYS A 221 -15.703 60.043 10.944 1.00 49.99 O +ATOM 1662 CB LYS A 221 -15.763 57.069 11.818 1.00 44.59 C +ATOM 1663 CG LYS A 221 -15.308 56.009 12.824 1.00 44.41 C +ATOM 1664 CD LYS A 221 -14.795 54.783 12.074 1.00 44.18 C +ATOM 1665 CE LYS A 221 -13.922 53.940 12.990 1.00 44.34 C +ATOM 1666 NZ LYS A 221 -13.376 52.730 12.320 1.00 41.57 N +ATOM 1667 N GLU A 222 -17.886 59.607 11.134 1.00 46.59 N +ATOM 1668 CA GLU A 222 -18.349 60.605 10.182 1.00 45.60 C +ATOM 1669 C GLU A 222 -18.757 61.900 10.858 1.00 41.97 C +ATOM 1670 O GLU A 222 -19.283 62.843 10.264 1.00 41.78 O +ATOM 1671 CB GLU A 222 -19.552 60.056 9.420 1.00 47.61 C +ATOM 1672 CG GLU A 222 -19.232 59.382 8.085 1.00 49.84 C +ATOM 1673 CD GLU A 222 -20.338 58.396 7.724 1.00 52.39 C +ATOM 1674 OE1 GLU A 222 -21.516 58.803 7.824 1.00 54.06 O +ATOM 1675 OE2 GLU A 222 -20.004 57.245 7.361 1.00 52.94 O +ATOM 1676 N HIS A 223 -18.540 61.975 12.166 1.00 39.63 N +ATOM 1677 CA HIS A 223 -18.976 63.160 12.904 1.00 38.87 C +ATOM 1678 C HIS A 223 -17.909 64.248 12.813 1.00 38.72 C +ATOM 1679 O HIS A 223 -16.748 63.989 13.138 1.00 42.10 O +ATOM 1680 CB HIS A 223 -19.243 62.766 14.347 1.00 38.76 C +ATOM 1681 CG HIS A 223 -19.907 63.772 15.227 1.00 39.34 C +ATOM 1682 ND1 HIS A 223 -21.163 64.257 14.966 1.00 41.03 N +ATOM 1683 CD2 HIS A 223 -19.511 64.361 16.369 1.00 40.58 C +ATOM 1684 CE1 HIS A 223 -21.513 65.114 15.906 1.00 41.10 C +ATOM 1685 NE2 HIS A 223 -20.524 65.203 16.770 1.00 41.93 N +ATOM 1686 N GLY A 224 -18.339 65.416 12.353 1.00 39.06 N +ATOM 1687 CA GLY A 224 -17.490 66.560 12.165 1.00 39.22 C +ATOM 1688 C GLY A 224 -16.502 66.760 13.307 1.00 40.79 C +ATOM 1689 O GLY A 224 -15.302 66.570 13.115 1.00 41.90 O +ATOM 1690 N PRO A 225 -17.048 67.102 14.467 1.00 42.52 N +ATOM 1691 CA PRO A 225 -16.243 67.426 15.649 1.00 42.84 C +ATOM 1692 C PRO A 225 -15.390 66.245 16.084 1.00 40.50 C +ATOM 1693 O PRO A 225 -14.323 66.402 16.671 1.00 37.54 O +ATOM 1694 CB PRO A 225 -17.290 67.746 16.718 1.00 43.31 C +ATOM 1695 CG PRO A 225 -18.514 68.107 15.943 1.00 43.55 C +ATOM 1696 CD PRO A 225 -18.494 67.191 14.750 1.00 42.27 C +ATOM 1697 N ILE A 226 -15.863 65.027 15.795 1.00 39.72 N +ATOM 1698 CA ILE A 226 -15.017 63.904 16.208 1.00 38.79 C +ATOM 1699 C ILE A 226 -13.836 63.767 15.261 1.00 40.68 C +ATOM 1700 O ILE A 226 -12.690 63.824 15.710 1.00 37.95 O +ATOM 1701 CB ILE A 226 -15.798 62.584 16.292 1.00 37.32 C +ATOM 1702 CG1 ILE A 226 -16.521 62.387 17.629 1.00 38.43 C +ATOM 1703 CG2 ILE A 226 -14.899 61.405 15.976 1.00 33.39 C +ATOM 1704 CD1 ILE A 226 -17.891 61.733 17.450 1.00 45.42 C +ATOM 1705 N LYS A 227 -14.077 63.608 13.956 1.00 45.06 N +ATOM 1706 CA LYS A 227 -12.920 63.464 13.061 1.00 47.61 C +ATOM 1707 C LYS A 227 -12.043 64.710 13.092 1.00 47.81 C +ATOM 1708 O LYS A 227 -10.856 64.661 12.757 1.00 47.30 O +ATOM 1709 CB LYS A 227 -13.335 63.152 11.631 1.00 49.37 C +ATOM 1710 CG LYS A 227 -14.303 64.119 10.990 1.00 51.64 C +ATOM 1711 CD LYS A 227 -14.557 63.723 9.543 1.00 53.35 C +ATOM 1712 CE LYS A 227 -15.991 63.964 9.112 1.00 54.61 C +ATOM 1713 NZ LYS A 227 -16.062 64.332 7.671 1.00 57.36 N +ATOM 1714 N ASN A 228 -12.604 65.850 13.505 1.00 48.57 N +ATOM 1715 CA ASN A 228 -11.680 66.993 13.638 1.00 50.23 C +ATOM 1716 C ASN A 228 -10.800 66.741 14.859 1.00 48.94 C +ATOM 1717 O ASN A 228 -9.582 66.954 14.822 1.00 45.90 O +ATOM 1718 CB ASN A 228 -12.455 68.302 13.670 1.00 52.80 C +ATOM 1719 CG ASN A 228 -12.754 68.803 12.258 1.00 55.38 C +ATOM 1720 OD1 ASN A 228 -12.115 68.377 11.288 1.00 57.44 O +ATOM 1721 ND2 ASN A 228 -13.720 69.711 12.117 1.00 58.35 N +ATOM 1722 N LYS A 229 -11.417 66.251 15.939 1.00 47.67 N +ATOM 1723 CA LYS A 229 -10.671 65.889 17.136 1.00 46.06 C +ATOM 1724 C LYS A 229 -9.563 64.897 16.803 1.00 43.53 C +ATOM 1725 O LYS A 229 -8.439 65.003 17.289 1.00 43.59 O +ATOM 1726 CB LYS A 229 -11.564 65.267 18.211 1.00 46.81 C +ATOM 1727 CG LYS A 229 -10.749 64.811 19.423 1.00 46.92 C +ATOM 1728 CD LYS A 229 -10.510 65.982 20.374 1.00 46.01 C +ATOM 1729 CE LYS A 229 -9.109 65.898 20.959 1.00 45.98 C +ATOM 1730 NZ LYS A 229 -8.762 67.150 21.695 1.00 48.89 N +ATOM 1731 N MET A 230 -9.913 63.932 15.965 1.00 42.82 N +ATOM 1732 CA MET A 230 -8.955 62.953 15.466 1.00 42.97 C +ATOM 1733 C MET A 230 -7.765 63.674 14.856 1.00 45.34 C +ATOM 1734 O MET A 230 -6.608 63.426 15.180 1.00 46.26 O +ATOM 1735 CB AMET A 230 -9.612 62.027 14.436 0.77 43.35 C +ATOM 1736 CB BMET A 230 -9.631 62.017 14.462 0.23 43.26 C +ATOM 1737 CG AMET A 230 -10.493 60.947 15.040 0.77 43.24 C +ATOM 1738 CG BMET A 230 -10.850 61.299 15.037 0.23 43.25 C +ATOM 1739 SD AMET A 230 -11.630 60.160 13.886 0.77 45.37 S +ATOM 1740 SD BMET A 230 -11.660 60.179 13.890 0.23 45.37 S +ATOM 1741 CE AMET A 230 -12.515 59.040 14.964 0.77 50.01 C +ATOM 1742 CE BMET A 230 -10.256 59.265 13.239 0.23 25.39 C +ATOM 1743 N SER A 231 -8.064 64.612 13.956 1.00 47.98 N +ATOM 1744 CA SER A 231 -7.017 65.401 13.313 1.00 48.74 C +ATOM 1745 C SER A 231 -6.033 66.012 14.299 1.00 49.98 C +ATOM 1746 O SER A 231 -4.872 66.259 13.953 1.00 59.56 O +ATOM 1747 CB SER A 231 -7.657 66.517 12.477 1.00 48.66 C +ATOM 1748 OG SER A 231 -8.482 65.960 11.457 1.00 51.03 O +ATOM 1749 N GLU A 232 -6.453 66.278 15.535 1.00 48.53 N +ATOM 1750 CA GLU A 232 -5.533 66.848 16.510 1.00 48.34 C +ATOM 1751 C GLU A 232 -4.635 65.798 17.151 1.00 48.27 C +ATOM 1752 O GLU A 232 -3.723 66.117 17.926 1.00 46.91 O +ATOM 1753 CB GLU A 232 -6.297 67.556 17.626 1.00 49.49 C +ATOM 1754 CG GLU A 232 -6.914 68.901 17.286 1.00 51.40 C +ATOM 1755 CD GLU A 232 -7.856 69.310 18.422 1.00 54.12 C +ATOM 1756 OE1 GLU A 232 -7.498 68.984 19.577 1.00 58.17 O +ATOM 1757 OE2 GLU A 232 -8.911 69.924 18.167 1.00 59.31 O +ATOM 1758 N SER A 233 -4.845 64.503 16.901 1.00 46.50 N +ATOM 1759 CA SER A 233 -4.020 63.549 17.644 1.00 44.66 C +ATOM 1760 C SER A 233 -2.559 63.603 17.212 1.00 44.45 C +ATOM 1761 O SER A 233 -2.311 63.788 16.018 1.00 48.03 O +ATOM 1762 CB SER A 233 -4.553 62.126 17.456 1.00 43.74 C +ATOM 1763 OG SER A 233 -3.617 61.202 17.986 1.00 43.96 O +ATOM 1764 N PRO A 234 -1.630 63.434 18.145 1.00 44.73 N +ATOM 1765 CA PRO A 234 -0.206 63.391 17.815 1.00 44.63 C +ATOM 1766 C PRO A 234 0.103 62.294 16.793 1.00 44.93 C +ATOM 1767 O PRO A 234 1.078 62.388 16.054 1.00 47.98 O +ATOM 1768 CB PRO A 234 0.488 63.036 19.124 1.00 44.31 C +ATOM 1769 CG PRO A 234 -0.499 63.280 20.203 1.00 44.06 C +ATOM 1770 CD PRO A 234 -1.865 63.280 19.591 1.00 45.12 C +ATOM 1771 N ASN A 235 -0.739 61.263 16.786 1.00 44.27 N +ATOM 1772 CA ASN A 235 -0.591 60.166 15.840 1.00 45.48 C +ATOM 1773 C ASN A 235 0.820 59.609 15.899 1.00 45.21 C +ATOM 1774 O ASN A 235 1.417 59.215 14.903 1.00 50.15 O +ATOM 1775 CB ASN A 235 -0.934 60.624 14.421 1.00 49.27 C +ATOM 1776 CG ASN A 235 -1.659 59.528 13.657 1.00 53.35 C +ATOM 1777 OD1 ASN A 235 -2.794 59.732 13.209 1.00 59.47 O +ATOM 1778 ND2 ASN A 235 -1.004 58.376 13.520 1.00 55.54 N +ATOM 1779 N LYS A 236 1.352 59.592 17.115 1.00 43.76 N +ATOM 1780 CA LYS A 236 2.720 59.143 17.316 1.00 43.73 C +ATOM 1781 C LYS A 236 2.943 58.765 18.776 1.00 39.06 C +ATOM 1782 O LYS A 236 2.192 59.140 19.672 1.00 36.20 O +ATOM 1783 CB LYS A 236 3.718 60.211 16.868 1.00 47.28 C +ATOM 1784 CG LYS A 236 3.724 61.482 17.703 1.00 51.29 C +ATOM 1785 CD LYS A 236 4.833 61.469 18.743 1.00 54.02 C +ATOM 1786 CE LYS A 236 6.077 62.224 18.317 1.00 55.34 C +ATOM 1787 NZ LYS A 236 6.570 61.784 16.984 1.00 59.37 N +ATOM 1788 N THR A 237 4.002 57.985 18.994 1.00 36.88 N +ATOM 1789 CA THR A 237 4.301 57.583 20.368 1.00 34.35 C +ATOM 1790 C THR A 237 4.499 58.833 21.228 1.00 33.97 C +ATOM 1791 O THR A 237 5.429 59.603 20.964 1.00 34.49 O +ATOM 1792 CB THR A 237 5.531 56.674 20.440 1.00 35.02 C +ATOM 1793 OG1 THR A 237 5.278 55.441 19.750 1.00 35.83 O +ATOM 1794 CG2 THR A 237 5.838 56.302 21.886 1.00 39.73 C +ATOM 1795 N VAL A 238 3.638 59.018 22.208 1.00 31.75 N +ATOM 1796 CA VAL A 238 3.648 60.095 23.183 1.00 32.22 C +ATOM 1797 C VAL A 238 3.569 59.483 24.572 1.00 32.81 C +ATOM 1798 O VAL A 238 3.244 58.311 24.748 1.00 30.20 O +ATOM 1799 CB VAL A 238 2.494 61.109 23.040 1.00 31.08 C +ATOM 1800 CG1 VAL A 238 2.547 61.832 21.700 1.00 27.02 C +ATOM 1801 CG2 VAL A 238 1.137 60.433 23.212 1.00 30.80 C +ATOM 1802 N SER A 239 3.828 60.261 25.617 1.00 34.36 N +ATOM 1803 CA SER A 239 3.697 59.653 26.945 1.00 32.39 C +ATOM 1804 C SER A 239 2.245 59.342 27.290 1.00 30.11 C +ATOM 1805 O SER A 239 1.292 59.880 26.737 1.00 28.93 O +ATOM 1806 CB SER A 239 4.281 60.597 27.999 1.00 34.44 C +ATOM 1807 OG SER A 239 3.513 61.785 27.994 1.00 33.08 O +ATOM 1808 N GLU A 240 2.127 58.452 28.255 1.00 32.28 N +ATOM 1809 CA GLU A 240 0.876 58.009 28.835 1.00 36.09 C +ATOM 1810 C GLU A 240 0.023 59.188 29.278 1.00 34.50 C +ATOM 1811 O GLU A 240 -1.196 59.227 29.138 1.00 35.09 O +ATOM 1812 CB GLU A 240 1.216 57.082 30.001 1.00 40.16 C +ATOM 1813 CG GLU A 240 0.057 56.692 30.893 1.00 46.17 C +ATOM 1814 CD GLU A 240 0.562 55.750 31.982 1.00 49.45 C +ATOM 1815 OE1 GLU A 240 0.947 54.623 31.610 1.00 48.94 O +ATOM 1816 OE2 GLU A 240 0.569 56.168 33.153 1.00 60.79 O +ATOM 1817 N GLU A 241 0.664 60.208 29.835 1.00 31.61 N +ATOM 1818 CA GLU A 241 -0.038 61.395 30.304 1.00 31.47 C +ATOM 1819 C GLU A 241 -0.706 62.116 29.152 1.00 28.82 C +ATOM 1820 O GLU A 241 -1.905 62.412 29.116 1.00 30.00 O +ATOM 1821 CB GLU A 241 0.962 62.303 31.027 1.00 36.12 C +ATOM 1822 CG GLU A 241 1.458 61.762 32.355 1.00 40.19 C +ATOM 1823 CD GLU A 241 2.418 60.601 32.233 1.00 42.84 C +ATOM 1824 OE1 GLU A 241 3.187 60.538 31.252 1.00 43.49 O +ATOM 1825 OE2 GLU A 241 2.387 59.729 33.131 1.00 49.53 O +ATOM 1826 N LYS A 242 0.121 62.398 28.132 1.00 25.71 N +ATOM 1827 CA LYS A 242 -0.398 63.029 26.946 1.00 27.08 C +ATOM 1828 C LYS A 242 -1.515 62.204 26.314 1.00 27.16 C +ATOM 1829 O LYS A 242 -2.524 62.744 25.885 1.00 28.22 O +ATOM 1830 CB LYS A 242 0.737 63.209 25.928 1.00 31.49 C +ATOM 1831 CG LYS A 242 1.515 64.498 26.141 1.00 35.43 C +ATOM 1832 CD LYS A 242 2.846 64.475 25.385 1.00 35.60 C +ATOM 1833 CE LYS A 242 3.838 65.392 26.073 1.00 36.96 C +ATOM 1834 NZ LYS A 242 5.249 65.137 25.651 1.00 43.24 N +ATOM 1835 N ALA A 243 -1.271 60.898 26.276 1.00 27.14 N +ATOM 1836 CA ALA A 243 -2.232 59.995 25.637 1.00 29.30 C +ATOM 1837 C ALA A 243 -3.589 60.044 26.336 1.00 28.34 C +ATOM 1838 O ALA A 243 -4.606 60.222 25.662 1.00 25.67 O +ATOM 1839 CB ALA A 243 -1.650 58.587 25.583 1.00 26.59 C +ATOM 1840 N LYS A 244 -3.602 59.891 27.650 1.00 28.87 N +ATOM 1841 CA LYS A 244 -4.809 59.922 28.467 1.00 30.68 C +ATOM 1842 C LYS A 244 -5.540 61.260 28.373 1.00 27.54 C +ATOM 1843 O LYS A 244 -6.766 61.344 28.338 1.00 26.84 O +ATOM 1844 CB ALYS A 244 -4.472 59.626 29.931 0.63 30.37 C +ATOM 1845 CB BLYS A 244 -4.475 59.646 29.939 0.37 30.56 C +ATOM 1846 CG ALYS A 244 -4.053 58.174 30.189 0.63 31.22 C +ATOM 1847 CG BLYS A 244 -5.708 59.332 30.780 0.37 31.51 C +ATOM 1848 CD ALYS A 244 -3.731 58.008 31.664 0.63 31.74 C +ATOM 1849 CD BLYS A 244 -5.496 59.565 32.262 0.37 33.39 C +ATOM 1850 CE ALYS A 244 -3.254 56.597 31.996 0.63 31.66 C +ATOM 1851 CE BLYS A 244 -6.701 59.062 33.060 0.37 34.70 C +ATOM 1852 NZ ALYS A 244 -2.354 56.631 33.183 0.63 33.35 N +ATOM 1853 NZ BLYS A 244 -6.350 58.899 34.504 0.37 37.55 N +ATOM 1854 N GLN A 245 -4.773 62.345 28.342 1.00 27.42 N +ATOM 1855 CA GLN A 245 -5.349 63.677 28.246 1.00 27.95 C +ATOM 1856 C GLN A 245 -6.142 63.854 26.958 1.00 24.45 C +ATOM 1857 O GLN A 245 -7.292 64.295 26.977 1.00 29.91 O +ATOM 1858 CB GLN A 245 -4.221 64.729 28.328 1.00 31.79 C +ATOM 1859 CG GLN A 245 -4.765 66.149 28.225 1.00 34.75 C +ATOM 1860 CD GLN A 245 -5.851 66.475 29.227 1.00 37.48 C +ATOM 1861 OE1 GLN A 245 -5.797 66.059 30.388 1.00 45.02 O +ATOM 1862 NE2 GLN A 245 -6.854 67.235 28.798 1.00 40.27 N +ATOM 1863 N TYR A 246 -5.539 63.491 25.840 1.00 22.63 N +ATOM 1864 CA TYR A 246 -6.144 63.559 24.525 1.00 24.91 C +ATOM 1865 C TYR A 246 -7.405 62.696 24.488 1.00 23.90 C +ATOM 1866 O TYR A 246 -8.467 63.068 23.999 1.00 28.89 O +ATOM 1867 CB TYR A 246 -5.134 63.113 23.455 1.00 27.42 C +ATOM 1868 CG TYR A 246 -5.816 62.864 22.128 1.00 30.10 C +ATOM 1869 CD1 TYR A 246 -6.224 63.905 21.310 1.00 31.56 C +ATOM 1870 CD2 TYR A 246 -6.070 61.564 21.700 1.00 30.87 C +ATOM 1871 CE1 TYR A 246 -6.853 63.678 20.097 1.00 33.34 C +ATOM 1872 CE2 TYR A 246 -6.696 61.326 20.501 1.00 31.94 C +ATOM 1873 CZ TYR A 246 -7.088 62.374 19.705 1.00 33.08 C +ATOM 1874 OH TYR A 246 -7.708 62.093 18.518 1.00 33.00 O +ATOM 1875 N LEU A 247 -7.257 61.500 25.049 1.00 24.70 N +ATOM 1876 CA LEU A 247 -8.387 60.565 25.022 1.00 22.84 C +ATOM 1877 C LEU A 247 -9.521 61.053 25.897 1.00 24.34 C +ATOM 1878 O LEU A 247 -10.695 60.879 25.578 1.00 26.68 O +ATOM 1879 CB LEU A 247 -7.896 59.177 25.444 1.00 23.52 C +ATOM 1880 CG LEU A 247 -6.913 58.473 24.534 1.00 24.40 C +ATOM 1881 CD1 LEU A 247 -6.325 57.239 25.215 1.00 28.53 C +ATOM 1882 CD2 LEU A 247 -7.548 58.096 23.201 1.00 31.53 C +ATOM 1883 N GLU A 248 -9.227 61.695 27.028 1.00 25.50 N +ATOM 1884 CA GLU A 248 -10.349 62.236 27.801 1.00 28.05 C +ATOM 1885 C GLU A 248 -11.097 63.268 26.967 1.00 29.43 C +ATOM 1886 O GLU A 248 -12.320 63.306 26.964 1.00 28.27 O +ATOM 1887 CB GLU A 248 -9.883 62.839 29.116 1.00 30.34 C +ATOM 1888 CG GLU A 248 -9.242 61.857 30.072 1.00 32.42 C +ATOM 1889 CD GLU A 248 -8.723 62.452 31.366 1.00 32.97 C +ATOM 1890 OE1 GLU A 248 -9.324 63.422 31.866 1.00 39.91 O +ATOM 1891 OE2 GLU A 248 -7.714 61.914 31.870 1.00 32.50 O +ATOM 1892 N GLU A 249 -10.327 64.092 26.264 1.00 29.97 N +ATOM 1893 CA GLU A 249 -10.937 65.125 25.427 1.00 30.62 C +ATOM 1894 C GLU A 249 -11.790 64.482 24.329 1.00 29.73 C +ATOM 1895 O GLU A 249 -12.911 64.929 24.104 1.00 31.83 O +ATOM 1896 CB GLU A 249 -9.845 66.022 24.860 1.00 31.27 C +ATOM 1897 CG GLU A 249 -9.140 66.867 25.913 1.00 32.27 C +ATOM 1898 CD GLU A 249 -7.778 67.346 25.448 1.00 33.94 C +ATOM 1899 OE1 GLU A 249 -7.513 67.182 24.244 1.00 33.12 O +ATOM 1900 OE2 GLU A 249 -6.965 67.862 26.247 1.00 39.01 O +ATOM 1901 N PHE A 250 -11.270 63.451 23.691 1.00 30.07 N +ATOM 1902 CA PHE A 250 -11.977 62.694 22.662 1.00 30.91 C +ATOM 1903 C PHE A 250 -13.296 62.149 23.217 1.00 30.37 C +ATOM 1904 O PHE A 250 -14.311 62.150 22.515 1.00 30.20 O +ATOM 1905 CB PHE A 250 -11.100 61.571 22.134 1.00 31.43 C +ATOM 1906 CG PHE A 250 -11.615 60.756 20.968 1.00 32.99 C +ATOM 1907 CD1 PHE A 250 -12.504 59.700 21.157 1.00 32.07 C +ATOM 1908 CD2 PHE A 250 -11.204 61.056 19.676 1.00 32.46 C +ATOM 1909 CE1 PHE A 250 -12.952 58.986 20.061 1.00 31.85 C +ATOM 1910 CE2 PHE A 250 -11.657 60.353 18.581 1.00 32.14 C +ATOM 1911 CZ PHE A 250 -12.557 59.320 18.779 1.00 32.30 C +ATOM 1912 N HIS A 251 -13.270 61.682 24.464 1.00 30.68 N +ATOM 1913 CA HIS A 251 -14.488 61.108 25.062 1.00 30.70 C +ATOM 1914 C HIS A 251 -15.562 62.173 25.238 1.00 33.09 C +ATOM 1915 O HIS A 251 -16.713 61.939 24.870 1.00 29.94 O +ATOM 1916 CB HIS A 251 -14.171 60.442 26.388 1.00 30.60 C +ATOM 1917 CG HIS A 251 -15.281 60.045 27.302 1.00 31.48 C +ATOM 1918 ND1 HIS A 251 -15.981 60.934 28.080 1.00 32.13 N +ATOM 1919 CD2 HIS A 251 -15.819 58.829 27.579 1.00 31.54 C +ATOM 1920 CE1 HIS A 251 -16.889 60.297 28.793 1.00 31.95 C +ATOM 1921 NE2 HIS A 251 -16.818 59.003 28.509 1.00 31.65 N +ATOM 1922 N GLN A 252 -15.182 63.332 25.777 1.00 32.72 N +ATOM 1923 CA GLN A 252 -16.100 64.437 25.984 1.00 34.90 C +ATOM 1924 C GLN A 252 -16.813 64.799 24.679 1.00 32.62 C +ATOM 1925 O GLN A 252 -18.004 65.100 24.626 1.00 33.10 O +ATOM 1926 CB GLN A 252 -15.342 65.656 26.509 1.00 38.84 C +ATOM 1927 CG GLN A 252 -16.209 66.712 27.172 1.00 43.71 C +ATOM 1928 CD GLN A 252 -15.453 67.999 27.445 1.00 47.49 C +ATOM 1929 OE1 GLN A 252 -15.587 68.988 26.721 1.00 52.55 O +ATOM 1930 NE2 GLN A 252 -14.644 67.995 28.497 1.00 52.69 N +ATOM 1931 N THR A 253 -16.014 64.756 23.625 1.00 31.52 N +ATOM 1932 CA THR A 253 -16.433 65.166 22.288 1.00 33.32 C +ATOM 1933 C THR A 253 -17.458 64.206 21.717 1.00 33.91 C +ATOM 1934 O THR A 253 -18.547 64.584 21.275 1.00 35.45 O +ATOM 1935 CB THR A 253 -15.188 65.246 21.384 1.00 33.17 C +ATOM 1936 OG1 THR A 253 -14.427 66.397 21.792 1.00 36.43 O +ATOM 1937 CG2 THR A 253 -15.529 65.455 19.927 1.00 39.36 C +ATOM 1938 N ALA A 254 -17.074 62.929 21.758 1.00 34.75 N +ATOM 1939 CA ALA A 254 -17.944 61.862 21.270 1.00 34.23 C +ATOM 1940 C ALA A 254 -19.191 61.698 22.111 1.00 33.32 C +ATOM 1941 O ALA A 254 -20.265 61.366 21.601 1.00 36.68 O +ATOM 1942 CB ALA A 254 -17.175 60.544 21.233 1.00 38.17 C +ATOM 1943 N LEU A 255 -19.080 61.913 23.418 1.00 33.44 N +ATOM 1944 CA LEU A 255 -20.265 61.762 24.263 1.00 36.99 C +ATOM 1945 C LEU A 255 -21.344 62.784 23.923 1.00 39.62 C +ATOM 1946 O LEU A 255 -22.496 62.614 24.342 1.00 39.45 O +ATOM 1947 CB LEU A 255 -19.835 61.831 25.726 1.00 38.25 C +ATOM 1948 CG LEU A 255 -20.681 61.167 26.801 1.00 39.47 C +ATOM 1949 CD1 LEU A 255 -20.978 59.709 26.473 1.00 36.50 C +ATOM 1950 CD2 LEU A 255 -19.978 61.244 28.156 1.00 44.70 C +ATOM 1951 N GLU A 256 -21.051 63.840 23.166 1.00 41.19 N +ATOM 1952 CA GLU A 256 -22.046 64.827 22.765 1.00 43.01 C +ATOM 1953 C GLU A 256 -22.854 64.387 21.545 1.00 42.26 C +ATOM 1954 O GLU A 256 -23.848 65.031 21.196 1.00 44.01 O +ATOM 1955 CB GLU A 256 -21.402 66.181 22.421 1.00 46.56 C +ATOM 1956 CG GLU A 256 -20.785 66.913 23.592 1.00 48.97 C +ATOM 1957 CD GLU A 256 -21.721 67.004 24.784 1.00 52.24 C +ATOM 1958 OE1 GLU A 256 -22.956 67.033 24.587 1.00 50.85 O +ATOM 1959 OE2 GLU A 256 -21.197 67.049 25.925 1.00 59.24 O +ATOM 1960 N HIS A 257 -22.412 63.311 20.914 1.00 40.77 N +ATOM 1961 CA HIS A 257 -22.980 62.760 19.692 1.00 40.09 C +ATOM 1962 C HIS A 257 -24.353 62.111 19.874 1.00 40.41 C +ATOM 1963 O HIS A 257 -24.552 61.366 20.832 1.00 43.94 O +ATOM 1964 CB HIS A 257 -21.970 61.747 19.144 1.00 41.55 C +ATOM 1965 CG HIS A 257 -22.174 61.347 17.725 1.00 44.48 C +ATOM 1966 ND1 HIS A 257 -23.416 61.038 17.236 1.00 44.64 N +ATOM 1967 CD2 HIS A 257 -21.356 61.191 16.665 1.00 46.29 C +ATOM 1968 CE1 HIS A 257 -23.381 60.707 15.965 1.00 44.69 C +ATOM 1969 NE2 HIS A 257 -22.115 60.798 15.589 1.00 46.58 N +ATOM 1970 N PRO A 258 -25.301 62.400 18.986 1.00 40.74 N +ATOM 1971 CA APRO A 258 -26.631 61.799 18.966 0.67 41.09 C +ATOM 1972 CA BPRO A 258 -26.643 61.812 19.022 0.33 40.96 C +ATOM 1973 C PRO A 258 -26.750 60.335 19.391 1.00 38.82 C +ATOM 1974 O PRO A 258 -27.470 60.039 20.357 1.00 40.06 O +ATOM 1975 CB APRO A 258 -26.985 61.884 17.463 0.67 41.78 C +ATOM 1976 CB BPRO A 258 -27.102 61.997 17.560 0.33 41.64 C +ATOM 1977 CG APRO A 258 -26.340 63.147 17.003 0.67 41.54 C +ATOM 1978 CG BPRO A 258 -26.525 63.329 17.205 0.33 41.54 C +ATOM 1979 CD APRO A 258 -25.166 63.388 17.892 0.67 41.43 C +ATOM 1980 CD BPRO A 258 -25.178 63.374 17.880 0.33 41.38 C +ATOM 1981 N GLU A 259 -26.114 59.417 18.709 1.00 36.19 N +ATOM 1982 CA GLU A 259 -26.161 57.991 18.979 1.00 36.86 C +ATOM 1983 C GLU A 259 -25.594 57.586 20.341 1.00 34.74 C +ATOM 1984 O GLU A 259 -25.729 56.401 20.688 1.00 36.08 O +ATOM 1985 CB GLU A 259 -25.433 57.227 17.860 1.00 38.27 C +ATOM 1986 CG GLU A 259 -25.902 57.543 16.460 1.00 42.48 C +ATOM 1987 CD GLU A 259 -27.031 56.656 15.975 1.00 47.61 C +ATOM 1988 OE1 GLU A 259 -27.143 55.497 16.435 1.00 55.18 O +ATOM 1989 OE2 GLU A 259 -27.825 57.128 15.128 1.00 55.17 O +ATOM 1990 N LEU A 260 -24.991 58.461 21.136 1.00 33.15 N +ATOM 1991 CA LEU A 260 -24.527 58.115 22.489 1.00 31.06 C +ATOM 1992 C LEU A 260 -25.280 58.865 23.576 1.00 33.59 C +ATOM 1993 O LEU A 260 -24.826 59.102 24.707 1.00 33.35 O +ATOM 1994 CB LEU A 260 -23.035 58.420 22.614 1.00 29.36 C +ATOM 1995 CG LEU A 260 -22.057 57.681 21.719 1.00 29.28 C +ATOM 1996 CD1 LEU A 260 -20.640 58.183 22.019 1.00 34.57 C +ATOM 1997 CD2 LEU A 260 -22.098 56.177 21.902 1.00 30.17 C +ATOM 1998 N SER A 261 -26.496 59.296 23.234 1.00 32.99 N +ATOM 1999 CA SER A 261 -27.266 60.187 24.082 1.00 35.13 C +ATOM 2000 C SER A 261 -27.620 59.550 25.416 1.00 35.26 C +ATOM 2001 O SER A 261 -27.578 60.211 26.447 1.00 35.70 O +ATOM 2002 CB SER A 261 -28.544 60.634 23.367 1.00 33.86 C +ATOM 2003 OG SER A 261 -29.428 59.567 23.082 1.00 38.10 O +ATOM 2004 N GLU A 262 -27.960 58.272 25.389 1.00 36.57 N +ATOM 2005 CA GLU A 262 -28.299 57.577 26.624 1.00 37.64 C +ATOM 2006 C GLU A 262 -27.062 57.497 27.524 1.00 36.67 C +ATOM 2007 O GLU A 262 -27.149 57.753 28.725 1.00 36.24 O +ATOM 2008 CB GLU A 262 -28.867 56.185 26.320 1.00 37.91 C +ATOM 2009 CG GLU A 262 -30.244 56.253 25.669 1.00 39.34 C +ATOM 2010 CD GLU A 262 -30.173 56.372 24.162 1.00 41.93 C +ATOM 2011 OE1 GLU A 262 -29.262 57.052 23.643 1.00 45.37 O +ATOM 2012 OE2 GLU A 262 -31.024 55.776 23.468 1.00 50.57 O +ATOM 2013 N LEU A 263 -25.930 57.166 26.914 1.00 36.92 N +ATOM 2014 CA LEU A 263 -24.662 57.122 27.636 1.00 38.40 C +ATOM 2015 C LEU A 263 -24.349 58.448 28.316 1.00 41.36 C +ATOM 2016 O LEU A 263 -23.974 58.462 29.496 1.00 47.47 O +ATOM 2017 CB LEU A 263 -23.528 56.729 26.695 1.00 36.26 C +ATOM 2018 CG LEU A 263 -22.182 56.363 27.327 1.00 34.41 C +ATOM 2019 CD1 LEU A 263 -22.351 55.310 28.409 1.00 39.89 C +ATOM 2020 CD2 LEU A 263 -21.204 55.859 26.285 1.00 31.48 C +ATOM 2021 N LYS A 264 -24.504 59.570 27.611 1.00 41.82 N +ATOM 2022 CA LYS A 264 -24.171 60.844 28.249 1.00 42.59 C +ATOM 2023 C LYS A 264 -24.996 61.061 29.509 1.00 43.39 C +ATOM 2024 O LYS A 264 -24.466 61.500 30.538 1.00 47.24 O +ATOM 2025 CB LYS A 264 -24.365 62.011 27.282 1.00 43.76 C +ATOM 2026 CG LYS A 264 -24.020 63.366 27.885 1.00 45.59 C +ATOM 2027 CD LYS A 264 -24.237 64.515 26.915 1.00 47.23 C +ATOM 2028 CE LYS A 264 -25.352 65.458 27.354 1.00 48.30 C +ATOM 2029 NZ LYS A 264 -25.000 66.876 27.091 1.00 50.36 N +ATOM 2030 N THR A 265 -26.287 60.737 29.431 1.00 41.29 N +ATOM 2031 CA THR A 265 -27.146 61.039 30.578 1.00 42.30 C +ATOM 2032 C THR A 265 -26.649 60.347 31.838 1.00 41.72 C +ATOM 2033 O THR A 265 -26.462 60.959 32.886 1.00 35.10 O +ATOM 2034 CB THR A 265 -28.607 60.640 30.314 1.00 42.54 C +ATOM 2035 OG1 THR A 265 -29.191 61.612 29.449 1.00 45.86 O +ATOM 2036 CG2 THR A 265 -29.406 60.658 31.607 1.00 44.46 C +ATOM 2037 N VAL A 266 -26.434 59.043 31.701 1.00 43.11 N +ATOM 2038 CA VAL A 266 -26.023 58.228 32.829 1.00 45.26 C +ATOM 2039 C VAL A 266 -24.599 58.540 33.277 1.00 46.24 C +ATOM 2040 O VAL A 266 -24.233 58.258 34.417 1.00 42.41 O +ATOM 2041 CB VAL A 266 -26.078 56.726 32.471 1.00 44.84 C +ATOM 2042 CG1 VAL A 266 -27.436 56.366 31.887 1.00 45.41 C +ATOM 2043 CG2 VAL A 266 -24.945 56.401 31.514 1.00 45.63 C +ATOM 2044 N THR A 267 -23.796 59.105 32.381 1.00 47.40 N +ATOM 2045 CA THR A 267 -22.364 59.220 32.674 1.00 49.63 C +ATOM 2046 C THR A 267 -22.061 60.058 33.901 1.00 51.25 C +ATOM 2047 O THR A 267 -21.145 59.733 34.668 1.00 54.41 O +ATOM 2048 CB THR A 267 -21.613 59.784 31.449 1.00 48.22 C +ATOM 2049 OG1 THR A 267 -21.414 58.693 30.540 1.00 40.65 O +ATOM 2050 CG2 THR A 267 -20.239 60.312 31.812 1.00 51.23 C +ATOM 2051 N GLY A 268 -22.805 61.141 34.135 1.00 50.54 N +ATOM 2052 CA GLY A 268 -22.468 61.955 35.299 1.00 49.76 C +ATOM 2053 C GLY A 268 -22.883 61.284 36.595 1.00 49.48 C +ATOM 2054 O GLY A 268 -22.377 61.605 37.672 1.00 52.47 O +ATOM 2055 N THR A 269 -23.800 60.354 36.464 1.00 49.53 N +ATOM 2056 CA THR A 269 -24.500 59.614 37.500 1.00 49.07 C +ATOM 2057 C THR A 269 -23.603 58.770 38.391 1.00 45.15 C +ATOM 2058 O THR A 269 -23.929 58.497 39.554 1.00 40.41 O +ATOM 2059 CB THR A 269 -25.561 58.717 36.807 1.00 52.18 C +ATOM 2060 OG1 THR A 269 -26.496 59.574 36.125 1.00 54.02 O +ATOM 2061 CG2 THR A 269 -26.353 57.900 37.807 1.00 56.55 C +ATOM 2062 N ASN A 270 -22.453 58.336 37.881 1.00 41.47 N +ATOM 2063 CA ASN A 270 -21.554 57.509 38.677 1.00 38.42 C +ATOM 2064 C ASN A 270 -20.106 57.741 38.272 1.00 34.70 C +ATOM 2065 O ASN A 270 -19.847 57.671 37.067 1.00 32.99 O +ATOM 2066 CB ASN A 270 -21.883 56.028 38.497 1.00 39.32 C +ATOM 2067 CG ASN A 270 -21.266 55.144 39.555 1.00 39.73 C +ATOM 2068 OD1 ASN A 270 -20.060 54.934 39.606 1.00 38.00 O +ATOM 2069 ND2 ASN A 270 -22.135 54.606 40.406 1.00 44.71 N +ATOM 2070 N PRO A 271 -19.210 57.992 39.211 1.00 34.81 N +ATOM 2071 CA PRO A 271 -17.806 58.282 38.883 1.00 34.65 C +ATOM 2072 C PRO A 271 -17.134 57.170 38.085 1.00 31.58 C +ATOM 2073 O PRO A 271 -16.191 57.414 37.329 1.00 34.66 O +ATOM 2074 CB PRO A 271 -17.124 58.374 40.258 1.00 35.35 C +ATOM 2075 CG PRO A 271 -18.054 57.662 41.178 1.00 35.62 C +ATOM 2076 CD PRO A 271 -19.425 58.012 40.668 1.00 34.81 C +ATOM 2077 N VAL A 272 -17.612 55.940 38.248 1.00 28.82 N +ATOM 2078 CA VAL A 272 -17.054 54.811 37.517 1.00 28.11 C +ATOM 2079 C VAL A 272 -17.108 54.977 36.004 1.00 28.29 C +ATOM 2080 O VAL A 272 -16.291 54.455 35.233 1.00 28.24 O +ATOM 2081 CB VAL A 272 -17.814 53.526 37.915 1.00 29.56 C +ATOM 2082 CG1 VAL A 272 -17.369 52.342 37.080 1.00 25.48 C +ATOM 2083 CG2 VAL A 272 -17.621 53.233 39.393 1.00 33.49 C +ATOM 2084 N PHE A 273 -18.099 55.729 35.540 1.00 28.41 N +ATOM 2085 CA PHE A 273 -18.347 55.814 34.101 1.00 28.55 C +ATOM 2086 C PHE A 273 -17.647 57.009 33.473 1.00 26.66 C +ATOM 2087 O PHE A 273 -17.797 57.249 32.277 1.00 26.36 O +ATOM 2088 CB PHE A 273 -19.853 55.912 33.869 1.00 30.13 C +ATOM 2089 CG PHE A 273 -20.693 54.925 34.671 1.00 31.74 C +ATOM 2090 CD1 PHE A 273 -20.209 53.675 35.016 1.00 31.88 C +ATOM 2091 CD2 PHE A 273 -21.974 55.270 35.058 1.00 33.04 C +ATOM 2092 CE1 PHE A 273 -20.978 52.775 35.743 1.00 32.66 C +ATOM 2093 CE2 PHE A 273 -22.760 54.375 35.779 1.00 33.95 C +ATOM 2094 CZ PHE A 273 -22.263 53.123 36.113 1.00 32.53 C +ATOM 2095 N ALA A 274 -16.871 57.734 34.277 1.00 26.57 N +ATOM 2096 CA ALA A 274 -16.237 58.940 33.745 1.00 25.27 C +ATOM 2097 C ALA A 274 -15.217 58.689 32.653 1.00 24.57 C +ATOM 2098 O ALA A 274 -14.528 57.687 32.461 1.00 24.91 O +ATOM 2099 CB ALA A 274 -15.577 59.698 34.896 1.00 27.35 C +ATOM 2100 N GLY A 275 -15.063 59.743 31.842 1.00 24.71 N +ATOM 2101 CA GLY A 275 -14.194 59.754 30.698 1.00 24.39 C +ATOM 2102 C GLY A 275 -12.758 59.446 31.035 1.00 23.77 C +ATOM 2103 O GLY A 275 -12.088 58.784 30.266 1.00 26.03 O +ATOM 2104 N ALA A 276 -12.274 59.951 32.167 1.00 27.09 N +ATOM 2105 CA ALA A 276 -10.935 59.598 32.625 1.00 26.79 C +ATOM 2106 C ALA A 276 -10.771 58.086 32.697 1.00 24.33 C +ATOM 2107 O ALA A 276 -9.698 57.571 32.410 1.00 21.69 O +ATOM 2108 CB ALA A 276 -10.625 60.226 33.985 1.00 27.58 C +ATOM 2109 N ASN A 277 -11.833 57.395 33.083 1.00 24.16 N +ATOM 2110 CA ASN A 277 -11.758 55.951 33.273 1.00 24.80 C +ATOM 2111 C ASN A 277 -11.794 55.250 31.929 1.00 22.47 C +ATOM 2112 O ASN A 277 -11.082 54.279 31.663 1.00 22.47 O +ATOM 2113 CB ASN A 277 -12.878 55.472 34.217 1.00 26.72 C +ATOM 2114 CG ASN A 277 -12.506 55.771 35.663 1.00 27.79 C +ATOM 2115 OD1 ASN A 277 -11.326 55.941 35.982 1.00 33.28 O +ATOM 2116 ND2 ASN A 277 -13.471 55.854 36.552 1.00 33.29 N +ATOM 2117 N TYR A 278 -12.622 55.768 31.023 1.00 21.91 N +ATOM 2118 CA TYR A 278 -12.594 55.236 29.667 1.00 23.50 C +ATOM 2119 C TYR A 278 -11.229 55.434 29.032 1.00 23.67 C +ATOM 2120 O TYR A 278 -10.683 54.593 28.326 1.00 23.52 O +ATOM 2121 CB TYR A 278 -13.658 55.946 28.850 1.00 24.12 C +ATOM 2122 CG TYR A 278 -15.041 55.332 28.863 1.00 25.14 C +ATOM 2123 CD1 TYR A 278 -15.922 55.585 29.895 1.00 25.42 C +ATOM 2124 CD2 TYR A 278 -15.410 54.519 27.805 1.00 24.39 C +ATOM 2125 CE1 TYR A 278 -17.200 55.027 29.906 1.00 23.33 C +ATOM 2126 CE2 TYR A 278 -16.678 53.961 27.802 1.00 23.92 C +ATOM 2127 CZ TYR A 278 -17.545 54.219 28.836 1.00 23.69 C +ATOM 2128 OH TYR A 278 -18.795 53.645 28.813 1.00 26.49 O +ATOM 2129 N ALA A 279 -10.637 56.619 29.281 1.00 22.91 N +ATOM 2130 CA ALA A 279 -9.309 56.869 28.717 1.00 20.85 C +ATOM 2131 C ALA A 279 -8.204 56.008 29.303 1.00 20.98 C +ATOM 2132 O ALA A 279 -7.274 55.529 28.653 1.00 20.80 O +ATOM 2133 CB ALA A 279 -8.991 58.350 28.943 1.00 23.48 C +ATOM 2134 N ALA A 280 -8.255 55.771 30.608 1.00 22.27 N +ATOM 2135 CA ALA A 280 -7.273 54.913 31.244 1.00 21.94 C +ATOM 2136 C ALA A 280 -7.350 53.482 30.713 1.00 19.95 C +ATOM 2137 O ALA A 280 -6.340 52.806 30.544 1.00 20.48 O +ATOM 2138 CB ALA A 280 -7.480 54.920 32.753 1.00 24.67 C +ATOM 2139 N TRP A 281 -8.592 53.053 30.473 1.00 20.46 N +ATOM 2140 CA TRP A 281 -8.827 51.727 29.935 1.00 18.55 C +ATOM 2141 C TRP A 281 -8.210 51.614 28.554 1.00 17.76 C +ATOM 2142 O TRP A 281 -7.423 50.698 28.284 1.00 20.71 O +ATOM 2143 CB TRP A 281 -10.354 51.435 29.928 1.00 20.84 C +ATOM 2144 CG TRP A 281 -10.648 50.160 29.184 1.00 21.48 C +ATOM 2145 CD1 TRP A 281 -11.032 50.043 27.887 1.00 22.18 C +ATOM 2146 CD2 TRP A 281 -10.578 48.827 29.708 1.00 20.90 C +ATOM 2147 NE1 TRP A 281 -11.203 48.720 27.547 1.00 21.60 N +ATOM 2148 CE2 TRP A 281 -10.930 47.961 28.665 1.00 20.87 C +ATOM 2149 CE3 TRP A 281 -10.255 48.294 30.956 1.00 20.23 C +ATOM 2150 CZ2 TRP A 281 -10.968 46.575 28.827 1.00 19.46 C +ATOM 2151 CZ3 TRP A 281 -10.291 46.920 31.118 1.00 21.54 C +ATOM 2152 CH2 TRP A 281 -10.645 46.070 30.057 1.00 21.67 C +ATOM 2153 N ALA A 282 -8.579 52.571 27.684 1.00 19.75 N +ATOM 2154 CA ALA A 282 -8.083 52.524 26.299 1.00 20.47 C +ATOM 2155 C ALA A 282 -6.558 52.529 26.275 1.00 20.92 C +ATOM 2156 O ALA A 282 -5.902 51.800 25.535 1.00 21.93 O +ATOM 2157 CB ALA A 282 -8.665 53.701 25.521 1.00 22.49 C +ATOM 2158 N VAL A 283 -5.970 53.374 27.119 1.00 20.47 N +ATOM 2159 CA VAL A 283 -4.515 53.438 27.219 1.00 21.69 C +ATOM 2160 C VAL A 283 -3.913 52.102 27.622 1.00 20.40 C +ATOM 2161 O VAL A 283 -2.953 51.581 27.053 1.00 21.96 O +ATOM 2162 CB VAL A 283 -4.078 54.556 28.204 1.00 23.64 C +ATOM 2163 CG1 VAL A 283 -2.635 54.394 28.652 1.00 27.44 C +ATOM 2164 CG2 VAL A 283 -4.295 55.894 27.523 1.00 23.66 C +ATOM 2165 N ASN A 284 -4.527 51.495 28.674 1.00 18.89 N +ATOM 2166 CA ASN A 284 -4.001 50.227 29.158 1.00 18.05 C +ATOM 2167 C ASN A 284 -4.084 49.130 28.092 1.00 17.34 C +ATOM 2168 O ASN A 284 -3.158 48.342 27.921 1.00 22.54 O +ATOM 2169 CB ASN A 284 -4.806 49.804 30.379 1.00 19.68 C +ATOM 2170 CG ASN A 284 -4.126 48.815 31.282 1.00 23.15 C +ATOM 2171 OD1 ASN A 284 -3.126 48.203 30.934 1.00 26.90 O +ATOM 2172 ND2 ASN A 284 -4.729 48.708 32.468 1.00 21.38 N +ATOM 2173 N VAL A 285 -5.191 49.103 27.375 1.00 18.37 N +ATOM 2174 CA VAL A 285 -5.379 48.164 26.282 1.00 16.65 C +ATOM 2175 C VAL A 285 -4.286 48.344 25.231 1.00 20.27 C +ATOM 2176 O VAL A 285 -3.595 47.391 24.880 1.00 21.97 O +ATOM 2177 CB VAL A 285 -6.758 48.298 25.618 1.00 17.20 C +ATOM 2178 CG1 VAL A 285 -6.847 47.377 24.397 1.00 18.97 C +ATOM 2179 CG2 VAL A 285 -7.860 48.000 26.619 1.00 22.36 C +ATOM 2180 N ALA A 286 -4.112 49.571 24.735 1.00 22.78 N +ATOM 2181 CA ALA A 286 -3.087 49.756 23.696 1.00 23.43 C +ATOM 2182 C ALA A 286 -1.707 49.350 24.165 1.00 22.48 C +ATOM 2183 O ALA A 286 -0.862 48.926 23.402 1.00 24.79 O +ATOM 2184 CB ALA A 286 -3.045 51.216 23.256 1.00 22.92 C +ATOM 2185 N GLN A 287 -1.469 49.490 25.462 1.00 22.85 N +ATOM 2186 CA GLN A 287 -0.176 49.190 26.033 1.00 24.37 C +ATOM 2187 C GLN A 287 0.132 47.707 26.005 1.00 24.44 C +ATOM 2188 O GLN A 287 1.272 47.319 25.767 1.00 27.05 O +ATOM 2189 CB GLN A 287 -0.122 49.702 27.476 1.00 25.90 C +ATOM 2190 CG GLN A 287 0.056 51.220 27.537 1.00 27.01 C +ATOM 2191 CD GLN A 287 0.157 51.702 28.962 1.00 29.25 C +ATOM 2192 OE1 GLN A 287 -0.503 51.179 29.859 1.00 27.73 O +ATOM 2193 NE2 GLN A 287 0.991 52.713 29.182 1.00 34.88 N +ATOM 2194 N VAL A 288 -0.904 46.883 26.247 1.00 21.52 N +ATOM 2195 CA VAL A 288 -0.657 45.455 26.397 1.00 21.52 C +ATOM 2196 C VAL A 288 -0.902 44.676 25.112 1.00 21.73 C +ATOM 2197 O VAL A 288 -0.489 43.517 25.018 1.00 26.36 O +ATOM 2198 CB VAL A 288 -1.525 44.857 27.529 1.00 20.09 C +ATOM 2199 CG1 VAL A 288 -1.366 45.657 28.807 1.00 23.72 C +ATOM 2200 CG2 VAL A 288 -2.979 44.802 27.117 1.00 23.97 C +ATOM 2201 N ILE A 289 -1.545 45.285 24.117 1.00 22.35 N +ATOM 2202 CA ILE A 289 -1.783 44.490 22.905 1.00 23.94 C +ATOM 2203 C ILE A 289 -0.690 44.717 21.868 1.00 25.38 C +ATOM 2204 O ILE A 289 -0.653 45.798 21.284 1.00 28.08 O +ATOM 2205 CB ILE A 289 -3.158 44.815 22.301 1.00 24.14 C +ATOM 2206 CG1 ILE A 289 -4.333 44.535 23.245 1.00 24.53 C +ATOM 2207 CG2 ILE A 289 -3.330 44.070 20.979 1.00 28.06 C +ATOM 2208 CD1 ILE A 289 -4.413 43.070 23.650 1.00 22.63 C +ATOM 2209 N ASP A 290 0.152 43.709 21.684 1.00 25.78 N +ATOM 2210 CA ASP A 290 1.164 43.790 20.630 1.00 26.67 C +ATOM 2211 C ASP A 290 0.626 43.072 19.404 1.00 27.15 C +ATOM 2212 O ASP A 290 -0.466 42.508 19.493 1.00 31.28 O +ATOM 2213 CB ASP A 290 2.498 43.203 21.085 1.00 28.94 C +ATOM 2214 CG ASP A 290 2.346 41.816 21.678 1.00 29.53 C +ATOM 2215 OD1 ASP A 290 1.386 41.120 21.304 1.00 28.51 O +ATOM 2216 OD2 ASP A 290 3.197 41.425 22.494 1.00 33.57 O +ATOM 2217 N SER A 291 1.356 43.084 18.306 1.00 28.52 N +ATOM 2218 CA SER A 291 1.008 42.452 17.047 1.00 29.44 C +ATOM 2219 C SER A 291 0.572 40.999 17.188 1.00 28.83 C +ATOM 2220 O SER A 291 -0.507 40.641 16.713 1.00 29.39 O +ATOM 2221 CB SER A 291 2.212 42.505 16.074 1.00 31.18 C +ATOM 2222 OG SER A 291 2.078 43.631 15.216 1.00 42.03 O +ATOM 2223 N GLU A 292 1.360 40.161 17.819 1.00 30.29 N +ATOM 2224 CA GLU A 292 1.042 38.745 17.989 1.00 34.18 C +ATOM 2225 C GLU A 292 -0.273 38.572 18.737 1.00 34.28 C +ATOM 2226 O GLU A 292 -1.137 37.792 18.349 1.00 40.06 O +ATOM 2227 CB GLU A 292 2.174 38.018 18.727 1.00 38.75 C +ATOM 2228 CG GLU A 292 3.364 37.696 17.822 1.00 44.23 C +ATOM 2229 CD GLU A 292 4.468 37.042 18.652 1.00 49.65 C +ATOM 2230 OE1 GLU A 292 4.106 36.522 19.733 1.00 58.07 O +ATOM 2231 OE2 GLU A 292 5.643 37.058 18.234 1.00 56.61 O +ATOM 2232 N THR A 293 -0.429 39.328 19.817 1.00 31.27 N +ATOM 2233 CA THR A 293 -1.666 39.287 20.596 1.00 25.81 C +ATOM 2234 C THR A 293 -2.857 39.766 19.804 1.00 25.95 C +ATOM 2235 O THR A 293 -3.943 39.175 19.830 1.00 26.79 O +ATOM 2236 CB THR A 293 -1.533 40.155 21.872 1.00 22.80 C +ATOM 2237 OG1 THR A 293 -0.395 39.709 22.613 1.00 23.41 O +ATOM 2238 CG2 THR A 293 -2.780 39.995 22.733 1.00 23.62 C +ATOM 2239 N ALA A 294 -2.723 40.867 19.069 1.00 24.27 N +ATOM 2240 CA ALA A 294 -3.846 41.433 18.328 1.00 24.56 C +ATOM 2241 C ALA A 294 -4.408 40.448 17.274 1.00 26.55 C +ATOM 2242 O ALA A 294 -5.587 40.578 16.944 1.00 25.55 O +ATOM 2243 CB ALA A 294 -3.456 42.735 17.651 1.00 27.36 C +ATOM 2244 N ASP A 295 -3.564 39.556 16.807 1.00 28.69 N +ATOM 2245 CA ASP A 295 -3.802 38.596 15.753 1.00 33.70 C +ATOM 2246 C ASP A 295 -4.426 37.307 16.270 1.00 34.18 C +ATOM 2247 O ASP A 295 -4.561 36.323 15.548 1.00 33.61 O +ATOM 2248 CB ASP A 295 -2.487 38.223 15.061 1.00 36.21 C +ATOM 2249 CG ASP A 295 -1.841 39.349 14.285 1.00 37.88 C +ATOM 2250 OD1 ASP A 295 -2.570 40.264 13.843 1.00 37.47 O +ATOM 2251 OD2 ASP A 295 -0.595 39.289 14.131 1.00 43.62 O +ATOM 2252 N ASN A 296 -4.806 37.307 17.546 1.00 32.61 N +ATOM 2253 CA ASN A 296 -5.248 36.057 18.162 1.00 30.19 C +ATOM 2254 C ASN A 296 -6.246 36.366 19.269 1.00 28.11 C +ATOM 2255 O ASN A 296 -5.884 37.000 20.260 1.00 25.73 O +ATOM 2256 CB ASN A 296 -4.057 35.282 18.709 1.00 30.04 C +ATOM 2257 CG ASN A 296 -4.465 33.929 19.246 1.00 32.11 C +ATOM 2258 OD1 ASN A 296 -4.926 33.832 20.381 1.00 31.50 O +ATOM 2259 ND2 ASN A 296 -4.295 32.885 18.448 1.00 35.58 N +ATOM 2260 N LEU A 297 -7.489 35.942 19.053 1.00 26.60 N +ATOM 2261 CA LEU A 297 -8.557 36.289 19.987 1.00 24.86 C +ATOM 2262 C LEU A 297 -8.302 35.715 21.375 1.00 24.20 C +ATOM 2263 O LEU A 297 -8.681 36.371 22.362 1.00 22.20 O +ATOM 2264 CB LEU A 297 -9.913 35.793 19.463 1.00 27.82 C +ATOM 2265 CG LEU A 297 -11.123 36.094 20.341 1.00 27.97 C +ATOM 2266 CD1 LEU A 297 -11.328 37.606 20.427 1.00 24.67 C +ATOM 2267 CD2 LEU A 297 -12.373 35.390 19.831 1.00 30.65 C +ATOM 2268 N GLU A 298 -7.727 34.517 21.438 1.00 24.43 N +ATOM 2269 CA GLU A 298 -7.527 33.863 22.731 1.00 21.74 C +ATOM 2270 C GLU A 298 -6.471 34.630 23.523 1.00 20.83 C +ATOM 2271 O GLU A 298 -6.656 34.948 24.698 1.00 19.40 O +ATOM 2272 CB GLU A 298 -7.209 32.396 22.526 1.00 22.42 C +ATOM 2273 CG GLU A 298 -6.856 31.598 23.752 1.00 21.20 C +ATOM 2274 CD GLU A 298 -8.077 31.288 24.606 1.00 21.42 C +ATOM 2275 OE1 GLU A 298 -9.224 31.468 24.141 1.00 22.25 O +ATOM 2276 OE2 GLU A 298 -7.850 30.857 25.749 1.00 25.05 O +ATOM 2277 N LYS A 299 -5.361 34.978 22.867 1.00 20.27 N +ATOM 2278 CA LYS A 299 -4.389 35.864 23.498 1.00 19.90 C +ATOM 2279 C LYS A 299 -4.942 37.230 23.859 1.00 20.97 C +ATOM 2280 O LYS A 299 -4.604 37.758 24.930 1.00 20.88 O +ATOM 2281 CB LYS A 299 -3.192 36.035 22.551 1.00 23.99 C +ATOM 2282 CG LYS A 299 -2.377 34.746 22.498 1.00 26.31 C +ATOM 2283 CD LYS A 299 -1.260 34.966 21.467 1.00 30.69 C +ATOM 2284 CE LYS A 299 -0.442 33.701 21.279 1.00 31.87 C +ATOM 2285 NZ LYS A 299 0.707 33.976 20.351 1.00 42.46 N +ATOM 2286 N THR A 300 -5.779 37.823 23.014 1.00 19.58 N +ATOM 2287 CA THR A 300 -6.388 39.113 23.297 1.00 19.05 C +ATOM 2288 C THR A 300 -7.209 39.014 24.582 1.00 17.68 C +ATOM 2289 O THR A 300 -7.087 39.814 25.492 1.00 18.35 O +ATOM 2290 CB THR A 300 -7.286 39.594 22.144 1.00 20.28 C +ATOM 2291 OG1 THR A 300 -6.447 40.027 21.054 1.00 21.96 O +ATOM 2292 CG2 THR A 300 -8.127 40.786 22.551 1.00 20.34 C +ATOM 2293 N THR A 301 -8.062 37.997 24.627 1.00 18.62 N +ATOM 2294 CA THR A 301 -8.892 37.828 25.818 1.00 16.40 C +ATOM 2295 C THR A 301 -8.047 37.567 27.050 1.00 17.92 C +ATOM 2296 O THR A 301 -8.389 38.088 28.123 1.00 17.67 O +ATOM 2297 CB THR A 301 -9.887 36.673 25.615 1.00 15.94 C +ATOM 2298 OG1 THR A 301 -10.640 36.895 24.434 1.00 20.15 O +ATOM 2299 CG2 THR A 301 -10.918 36.654 26.731 1.00 15.59 C +ATOM 2300 N ALA A 302 -6.965 36.802 26.926 1.00 16.96 N +ATOM 2301 CA ALA A 302 -6.078 36.595 28.086 1.00 19.00 C +ATOM 2302 C ALA A 302 -5.557 37.939 28.587 1.00 20.30 C +ATOM 2303 O ALA A 302 -5.517 38.231 29.782 1.00 19.58 O +ATOM 2304 CB ALA A 302 -4.920 35.664 27.790 1.00 20.00 C +ATOM 2305 N ALA A 303 -5.121 38.767 27.636 1.00 19.00 N +ATOM 2306 CA ALA A 303 -4.562 40.051 28.049 1.00 19.33 C +ATOM 2307 C ALA A 303 -5.597 40.995 28.646 1.00 18.45 C +ATOM 2308 O ALA A 303 -5.334 41.645 29.656 1.00 19.13 O +ATOM 2309 CB ALA A 303 -3.946 40.818 26.887 1.00 17.14 C +ATOM 2310 N LEU A 304 -6.774 41.125 28.027 1.00 16.87 N +ATOM 2311 CA LEU A 304 -7.765 42.056 28.508 1.00 16.54 C +ATOM 2312 C LEU A 304 -8.307 41.590 29.860 1.00 15.90 C +ATOM 2313 O LEU A 304 -8.680 42.400 30.707 1.00 15.72 O +ATOM 2314 CB LEU A 304 -8.909 42.251 27.513 1.00 16.87 C +ATOM 2315 CG LEU A 304 -8.598 42.783 26.127 1.00 19.75 C +ATOM 2316 CD1 LEU A 304 -9.879 43.001 25.327 1.00 23.94 C +ATOM 2317 CD2 LEU A 304 -7.798 44.083 26.188 1.00 21.04 C +ATOM 2318 N SER A 305 -8.334 40.246 30.021 1.00 15.76 N +ATOM 2319 CA SER A 305 -8.998 39.712 31.211 1.00 17.37 C +ATOM 2320 C SER A 305 -8.284 40.044 32.512 1.00 16.34 C +ATOM 2321 O SER A 305 -8.886 39.877 33.573 1.00 16.95 O +ATOM 2322 CB SER A 305 -9.162 38.185 31.129 1.00 15.55 C +ATOM 2323 OG SER A 305 -7.922 37.518 31.225 1.00 16.27 O +ATOM 2324 N ILE A 306 -7.031 40.488 32.451 1.00 14.90 N +ATOM 2325 CA ILE A 306 -6.317 40.774 33.683 1.00 15.65 C +ATOM 2326 C ILE A 306 -6.131 42.260 33.914 1.00 17.63 C +ATOM 2327 O ILE A 306 -5.389 42.639 34.831 1.00 18.81 O +ATOM 2328 CB ILE A 306 -4.950 40.040 33.695 1.00 16.99 C +ATOM 2329 CG1 ILE A 306 -4.030 40.417 32.549 1.00 17.94 C +ATOM 2330 CG2 ILE A 306 -5.214 38.545 33.732 1.00 17.32 C +ATOM 2331 CD1 ILE A 306 -2.661 39.786 32.614 1.00 19.15 C +ATOM 2332 N LEU A 307 -6.852 43.088 33.162 1.00 16.62 N +ATOM 2333 CA LEU A 307 -6.788 44.525 33.374 1.00 16.85 C +ATOM 2334 C LEU A 307 -7.791 44.970 34.418 1.00 18.62 C +ATOM 2335 O LEU A 307 -8.883 44.415 34.582 1.00 17.25 O +ATOM 2336 CB LEU A 307 -7.046 45.254 32.062 1.00 14.59 C +ATOM 2337 CG LEU A 307 -6.081 44.955 30.913 1.00 18.67 C +ATOM 2338 CD1 LEU A 307 -6.379 45.821 29.704 1.00 19.19 C +ATOM 2339 CD2 LEU A 307 -4.618 45.135 31.336 1.00 22.37 C +ATOM 2340 N PRO A 308 -7.432 46.060 35.097 1.00 18.11 N +ATOM 2341 CA PRO A 308 -8.377 46.729 35.976 1.00 18.02 C +ATOM 2342 C PRO A 308 -9.293 47.676 35.213 1.00 18.25 C +ATOM 2343 O PRO A 308 -9.017 47.978 34.059 1.00 19.50 O +ATOM 2344 CB PRO A 308 -7.449 47.531 36.892 1.00 18.16 C +ATOM 2345 CG PRO A 308 -6.316 47.913 35.997 1.00 19.36 C +ATOM 2346 CD PRO A 308 -6.115 46.738 35.060 1.00 15.70 C +ATOM 2347 N GLY A 309 -10.387 48.135 35.837 1.00 19.26 N +ATOM 2348 CA GLY A 309 -11.205 49.158 35.253 1.00 17.82 C +ATOM 2349 C GLY A 309 -12.248 48.745 34.257 1.00 20.06 C +ATOM 2350 O GLY A 309 -12.920 49.609 33.681 1.00 22.32 O +ATOM 2351 N ILE A 310 -12.429 47.442 34.031 1.00 19.68 N +ATOM 2352 CA ILE A 310 -13.427 47.061 33.027 1.00 20.96 C +ATOM 2353 C ILE A 310 -14.837 47.421 33.474 1.00 21.11 C +ATOM 2354 O ILE A 310 -15.756 47.513 32.652 1.00 21.84 O +ATOM 2355 CB ILE A 310 -13.324 45.559 32.673 1.00 19.79 C +ATOM 2356 CG1 ILE A 310 -13.840 45.269 31.259 1.00 18.60 C +ATOM 2357 CG2 ILE A 310 -13.987 44.703 33.726 1.00 23.64 C +ATOM 2358 CD1 ILE A 310 -13.566 43.875 30.780 1.00 21.20 C +ATOM 2359 N GLY A 311 -15.033 47.661 34.770 1.00 18.56 N +ATOM 2360 CA GLY A 311 -16.340 48.117 35.209 1.00 18.41 C +ATOM 2361 C GLY A 311 -16.791 49.416 34.583 1.00 22.39 C +ATOM 2362 O GLY A 311 -17.989 49.701 34.459 1.00 23.98 O +ATOM 2363 N SER A 312 -15.850 50.266 34.179 1.00 21.46 N +ATOM 2364 CA SER A 312 -16.256 51.520 33.541 1.00 22.57 C +ATOM 2365 C SER A 312 -16.973 51.241 32.236 1.00 25.66 C +ATOM 2366 O SER A 312 -18.102 51.706 32.011 1.00 30.33 O +ATOM 2367 CB ASER A 312 -15.010 52.391 33.366 0.44 22.45 C +ATOM 2368 CB BSER A 312 -15.070 52.457 33.344 0.27 22.45 C +ATOM 2369 CB CSER A 312 -15.022 52.389 33.298 0.29 22.40 C +ATOM 2370 OG ASER A 312 -14.512 52.690 34.671 0.44 19.12 O +ATOM 2371 OG BSER A 312 -13.964 51.874 32.702 0.27 22.82 O +ATOM 2372 OG CSER A 312 -15.297 53.441 32.389 0.29 23.03 O +ATOM 2373 N VAL A 313 -16.368 50.447 31.356 1.00 23.33 N +ATOM 2374 CA VAL A 313 -17.000 50.161 30.071 1.00 22.26 C +ATOM 2375 C VAL A 313 -18.245 49.304 30.237 1.00 21.33 C +ATOM 2376 O VAL A 313 -19.212 49.428 29.482 1.00 24.19 O +ATOM 2377 CB AVAL A 313 -16.062 49.455 29.075 0.38 22.69 C +ATOM 2378 CB BVAL A 313 -16.022 49.441 29.119 0.62 22.73 C +ATOM 2379 CG1AVAL A 313 -15.538 48.163 29.677 0.38 22.83 C +ATOM 2380 CG1BVAL A 313 -16.677 49.281 27.756 0.62 25.35 C +ATOM 2381 CG2AVAL A 313 -16.799 49.196 27.770 0.38 24.62 C +ATOM 2382 CG2BVAL A 313 -14.692 50.179 29.029 0.62 20.94 C +ATOM 2383 N MET A 314 -18.264 48.417 31.236 1.00 22.20 N +ATOM 2384 CA MET A 314 -19.479 47.619 31.379 1.00 21.19 C +ATOM 2385 C MET A 314 -20.591 48.310 32.137 1.00 18.61 C +ATOM 2386 O MET A 314 -21.713 47.799 32.291 1.00 22.56 O +ATOM 2387 CB MET A 314 -19.196 46.334 32.168 1.00 19.94 C +ATOM 2388 CG MET A 314 -18.157 45.422 31.556 1.00 18.28 C +ATOM 2389 SD MET A 314 -18.116 43.859 32.468 1.00 19.46 S +ATOM 2390 CE MET A 314 -16.857 42.984 31.556 1.00 19.34 C +ATOM 2391 N GLY A 315 -20.313 49.468 32.716 1.00 19.11 N +ATOM 2392 CA GLY A 315 -21.266 50.183 33.521 1.00 21.98 C +ATOM 2393 C GLY A 315 -21.689 49.360 34.719 1.00 24.01 C +ATOM 2394 O GLY A 315 -22.883 49.289 35.026 1.00 26.42 O +ATOM 2395 N ILE A 316 -20.720 48.760 35.400 1.00 21.23 N +ATOM 2396 CA ILE A 316 -20.974 47.989 36.606 1.00 22.83 C +ATOM 2397 C ILE A 316 -20.281 48.618 37.802 1.00 24.32 C +ATOM 2398 O ILE A 316 -19.077 48.851 37.819 1.00 25.15 O +ATOM 2399 CB ILE A 316 -20.571 46.505 36.428 1.00 22.70 C +ATOM 2400 CG1 ILE A 316 -21.298 45.873 35.238 1.00 22.60 C +ATOM 2401 CG2 ILE A 316 -20.793 45.698 37.693 1.00 24.40 C +ATOM 2402 CD1 ILE A 316 -20.890 44.469 34.897 1.00 23.07 C +ATOM 2403 N ALA A 317 -21.068 48.918 38.817 1.00 23.13 N +ATOM 2404 CA ALA A 317 -20.626 49.591 40.010 1.00 24.07 C +ATOM 2405 C ALA A 317 -21.641 49.381 41.129 1.00 24.25 C +ATOM 2406 O ALA A 317 -22.809 49.245 40.808 1.00 24.69 O +ATOM 2407 CB ALA A 317 -20.458 51.088 39.765 1.00 24.13 C +ATOM 2408 N ASP A 318 -21.170 49.395 42.351 1.00 25.67 N +ATOM 2409 CA ASP A 318 -22.000 49.393 43.544 1.00 27.26 C +ATOM 2410 C ASP A 318 -22.941 48.209 43.565 1.00 27.55 C +ATOM 2411 O ASP A 318 -24.040 48.267 44.121 1.00 27.58 O +ATOM 2412 CB ASP A 318 -22.805 50.690 43.646 1.00 31.71 C +ATOM 2413 CG ASP A 318 -21.906 51.908 43.486 1.00 35.37 C +ATOM 2414 OD1 ASP A 318 -20.827 51.936 44.108 1.00 39.05 O +ATOM 2415 OD2 ASP A 318 -22.313 52.816 42.743 1.00 40.63 O +ATOM 2416 N GLY A 319 -22.485 47.090 42.993 1.00 27.26 N +ATOM 2417 CA GLY A 319 -23.232 45.853 43.165 1.00 26.67 C +ATOM 2418 C GLY A 319 -24.277 45.677 42.075 1.00 25.94 C +ATOM 2419 O GLY A 319 -25.044 44.715 42.126 1.00 28.35 O +ATOM 2420 N ALA A 320 -24.302 46.587 41.106 1.00 27.15 N +ATOM 2421 CA ALA A 320 -25.308 46.482 40.054 1.00 27.34 C +ATOM 2422 C ALA A 320 -24.778 46.670 38.645 1.00 25.86 C +ATOM 2423 O ALA A 320 -23.797 47.337 38.365 1.00 23.43 O +ATOM 2424 CB ALA A 320 -26.393 47.529 40.312 1.00 29.61 C +ATOM 2425 N VAL A 321 -25.501 46.090 37.685 1.00 27.05 N +ATOM 2426 CA VAL A 321 -25.199 46.247 36.270 1.00 25.37 C +ATOM 2427 C VAL A 321 -26.059 47.357 35.684 1.00 27.88 C +ATOM 2428 O VAL A 321 -27.253 47.145 35.432 1.00 28.19 O +ATOM 2429 CB VAL A 321 -25.444 44.953 35.476 1.00 23.71 C +ATOM 2430 CG1 VAL A 321 -25.138 45.170 34.009 1.00 25.34 C +ATOM 2431 CG2 VAL A 321 -24.618 43.828 36.080 1.00 24.47 C +ATOM 2432 N HIS A 322 -25.477 48.541 35.498 1.00 27.58 N +ATOM 2433 CA HIS A 322 -26.290 49.692 35.108 1.00 29.10 C +ATOM 2434 C HIS A 322 -26.565 49.688 33.617 1.00 28.64 C +ATOM 2435 O HIS A 322 -27.681 50.025 33.206 1.00 35.80 O +ATOM 2436 CB AHIS A 322 -25.588 50.984 35.560 0.48 31.44 C +ATOM 2437 CB BHIS A 322 -25.594 50.989 35.552 0.52 31.43 C +ATOM 2438 CG AHIS A 322 -25.220 50.927 37.014 0.48 32.42 C +ATOM 2439 CG BHIS A 322 -25.574 51.125 37.044 0.52 32.51 C +ATOM 2440 ND1AHIS A 322 -26.084 51.298 38.021 0.48 33.72 N +ATOM 2441 ND1BHIS A 322 -24.513 50.710 37.819 0.52 33.05 N +ATOM 2442 CD2AHIS A 322 -24.088 50.513 37.632 0.48 33.03 C +ATOM 2443 CD2BHIS A 322 -26.494 51.611 37.911 0.52 33.43 C +ATOM 2444 CE1AHIS A 322 -25.495 51.132 39.197 0.48 33.76 C +ATOM 2445 CE1BHIS A 322 -24.776 50.944 39.096 0.52 33.56 C +ATOM 2446 NE2AHIS A 322 -24.282 50.657 38.987 0.48 33.76 N +ATOM 2447 NE2BHIS A 322 -25.971 51.494 39.179 0.52 34.04 N +ATOM 2448 N HIS A 323 -25.576 49.306 32.841 1.00 26.49 N +ATOM 2449 CA HIS A 323 -25.658 49.158 31.397 1.00 24.54 C +ATOM 2450 C HIS A 323 -26.312 47.808 31.106 1.00 25.44 C +ATOM 2451 O HIS A 323 -25.648 46.824 30.790 1.00 27.54 O +ATOM 2452 CB HIS A 323 -24.296 49.294 30.727 1.00 26.39 C +ATOM 2453 CG HIS A 323 -23.585 50.597 30.936 1.00 26.85 C +ATOM 2454 ND1 HIS A 323 -24.116 51.644 31.641 1.00 29.22 N +ATOM 2455 CD2 HIS A 323 -22.359 51.007 30.521 1.00 27.19 C +ATOM 2456 CE1 HIS A 323 -23.257 52.657 31.664 1.00 28.47 C +ATOM 2457 NE2 HIS A 323 -22.184 52.282 30.980 1.00 27.53 N +ATOM 2458 N ASN A 324 -27.641 47.812 31.240 1.00 26.85 N +ATOM 2459 CA ASN A 324 -28.446 46.604 31.099 1.00 28.36 C +ATOM 2460 C ASN A 324 -29.383 46.616 29.905 1.00 28.90 C +ATOM 2461 O ASN A 324 -30.433 45.954 29.910 1.00 37.53 O +ATOM 2462 CB ASN A 324 -29.264 46.399 32.382 1.00 32.68 C +ATOM 2463 CG ASN A 324 -30.194 47.558 32.673 1.00 35.08 C +ATOM 2464 OD1 ASN A 324 -30.104 48.604 32.037 1.00 35.53 O +ATOM 2465 ND2 ASN A 324 -31.082 47.361 33.644 1.00 41.41 N +ATOM 2466 N THR A 325 -29.084 47.328 28.830 1.00 29.57 N +ATOM 2467 CA THR A 325 -29.840 47.159 27.592 1.00 30.12 C +ATOM 2468 C THR A 325 -28.890 47.005 26.425 1.00 29.55 C +ATOM 2469 O THR A 325 -27.733 47.453 26.481 1.00 27.46 O +ATOM 2470 CB THR A 325 -30.781 48.349 27.315 1.00 31.72 C +ATOM 2471 OG1 THR A 325 -30.014 49.552 27.458 1.00 32.87 O +ATOM 2472 CG2 THR A 325 -31.935 48.411 28.306 1.00 32.76 C +ATOM 2473 N GLU A 326 -29.327 46.389 25.331 1.00 27.09 N +ATOM 2474 CA GLU A 326 -28.442 46.291 24.177 1.00 28.46 C +ATOM 2475 C GLU A 326 -27.987 47.676 23.708 1.00 27.53 C +ATOM 2476 O GLU A 326 -26.870 47.853 23.247 1.00 28.94 O +ATOM 2477 CB GLU A 326 -29.143 45.543 23.044 1.00 30.96 C +ATOM 2478 CG GLU A 326 -29.275 44.048 23.323 1.00 30.04 C +ATOM 2479 CD GLU A 326 -30.590 43.712 24.011 1.00 29.20 C +ATOM 2480 OE1 GLU A 326 -31.273 44.613 24.540 1.00 30.09 O +ATOM 2481 OE2 GLU A 326 -30.923 42.507 24.028 1.00 31.45 O +ATOM 2482 N GLU A 327 -28.879 48.667 23.822 1.00 27.49 N +ATOM 2483 CA GLU A 327 -28.543 49.947 23.174 1.00 29.88 C +ATOM 2484 C GLU A 327 -27.367 50.622 23.873 1.00 29.90 C +ATOM 2485 O GLU A 327 -26.381 50.942 23.207 1.00 29.64 O +ATOM 2486 CB GLU A 327 -29.769 50.839 23.149 1.00 32.31 C +ATOM 2487 CG GLU A 327 -29.554 52.290 22.782 1.00 33.58 C +ATOM 2488 CD GLU A 327 -29.091 52.463 21.347 1.00 33.08 C +ATOM 2489 OE1 GLU A 327 -29.289 51.546 20.526 1.00 30.55 O +ATOM 2490 OE2 GLU A 327 -28.527 53.540 21.044 1.00 39.24 O +ATOM 2491 N ILE A 328 -27.481 50.820 25.169 1.00 32.54 N +ATOM 2492 CA ILE A 328 -26.457 51.407 26.026 1.00 33.07 C +ATOM 2493 C ILE A 328 -25.206 50.544 26.121 1.00 30.26 C +ATOM 2494 O ILE A 328 -24.106 51.117 26.159 1.00 27.75 O +ATOM 2495 CB ILE A 328 -27.002 51.691 27.436 1.00 36.41 C +ATOM 2496 CG1 ILE A 328 -27.269 50.457 28.306 1.00 37.22 C +ATOM 2497 CG2 ILE A 328 -28.257 52.540 27.295 1.00 47.85 C +ATOM 2498 CD1 ILE A 328 -28.329 50.718 29.358 1.00 44.83 C +ATOM 2499 N VAL A 329 -25.279 49.211 26.128 1.00 25.07 N +ATOM 2500 CA VAL A 329 -24.040 48.413 26.074 1.00 23.89 C +ATOM 2501 C VAL A 329 -23.333 48.681 24.762 1.00 25.73 C +ATOM 2502 O VAL A 329 -22.116 48.885 24.635 1.00 27.42 O +ATOM 2503 CB VAL A 329 -24.366 46.913 26.256 1.00 22.67 C +ATOM 2504 CG1 VAL A 329 -23.219 46.042 25.799 1.00 23.06 C +ATOM 2505 CG2 VAL A 329 -24.739 46.595 27.695 1.00 26.15 C +ATOM 2506 N ALA A 330 -24.104 48.721 23.665 1.00 26.59 N +ATOM 2507 CA ALA A 330 -23.524 48.997 22.359 1.00 26.39 C +ATOM 2508 C ALA A 330 -22.883 50.391 22.296 1.00 23.50 C +ATOM 2509 O ALA A 330 -21.843 50.524 21.668 1.00 28.31 O +ATOM 2510 CB ALA A 330 -24.566 48.900 21.249 1.00 29.48 C +ATOM 2511 N GLN A 331 -23.515 51.373 22.912 1.00 25.33 N +ATOM 2512 CA GLN A 331 -22.967 52.738 22.957 1.00 25.14 C +ATOM 2513 C GLN A 331 -21.624 52.692 23.687 1.00 26.73 C +ATOM 2514 O GLN A 331 -20.628 53.206 23.187 1.00 28.98 O +ATOM 2515 CB GLN A 331 -23.896 53.733 23.643 1.00 28.46 C +ATOM 2516 CG GLN A 331 -25.190 54.094 22.953 1.00 29.68 C +ATOM 2517 CD GLN A 331 -26.159 55.012 23.649 1.00 29.36 C +ATOM 2518 OE1 GLN A 331 -25.841 55.881 24.471 1.00 32.86 O +ATOM 2519 NE2 GLN A 331 -27.449 54.828 23.316 1.00 30.55 N +ATOM 2520 N SER A 332 -21.615 52.067 24.863 1.00 26.24 N +ATOM 2521 CA SER A 332 -20.388 51.972 25.661 1.00 25.72 C +ATOM 2522 C SER A 332 -19.294 51.254 24.912 1.00 20.49 C +ATOM 2523 O SER A 332 -18.133 51.696 24.833 1.00 23.21 O +ATOM 2524 CB SER A 332 -20.649 51.249 26.987 1.00 26.25 C +ATOM 2525 OG SER A 332 -19.461 51.354 27.796 1.00 26.45 O +ATOM 2526 N ILE A 333 -19.604 50.084 24.339 1.00 21.14 N +ATOM 2527 CA ILE A 333 -18.626 49.324 23.591 1.00 20.29 C +ATOM 2528 C ILE A 333 -18.131 50.100 22.371 1.00 23.28 C +ATOM 2529 O ILE A 333 -16.937 50.101 22.073 1.00 25.97 O +ATOM 2530 CB ILE A 333 -19.148 47.916 23.237 1.00 24.04 C +ATOM 2531 CG1 ILE A 333 -19.347 47.051 24.474 1.00 22.05 C +ATOM 2532 CG2 ILE A 333 -18.214 47.257 22.249 1.00 24.33 C +ATOM 2533 CD1 ILE A 333 -20.003 45.707 24.251 1.00 24.08 C +ATOM 2534 N ALA A 334 -19.005 50.806 21.662 1.00 24.00 N +ATOM 2535 CA ALA A 334 -18.589 51.575 20.503 1.00 23.58 C +ATOM 2536 C ALA A 334 -17.587 52.666 20.893 1.00 22.89 C +ATOM 2537 O ALA A 334 -16.558 52.765 20.229 1.00 26.77 O +ATOM 2538 CB ALA A 334 -19.842 52.128 19.845 1.00 27.21 C +ATOM 2539 N LEU A 335 -17.933 53.402 21.928 1.00 23.76 N +ATOM 2540 CA LEU A 335 -17.086 54.511 22.388 1.00 22.65 C +ATOM 2541 C LEU A 335 -15.731 53.975 22.801 1.00 23.49 C +ATOM 2542 O LEU A 335 -14.661 54.440 22.412 1.00 25.96 O +ATOM 2543 CB LEU A 335 -17.758 55.270 23.529 1.00 24.62 C +ATOM 2544 CG LEU A 335 -16.979 56.482 24.066 1.00 25.73 C +ATOM 2545 CD1 LEU A 335 -16.607 57.429 22.938 1.00 27.23 C +ATOM 2546 CD2 LEU A 335 -17.763 57.212 25.140 1.00 28.62 C +ATOM 2547 N SER A 336 -15.712 52.904 23.615 1.00 24.37 N +ATOM 2548 CA SER A 336 -14.441 52.326 24.023 1.00 24.31 C +ATOM 2549 C SER A 336 -13.617 51.836 22.852 1.00 24.91 C +ATOM 2550 O SER A 336 -12.392 51.997 22.740 1.00 23.08 O +ATOM 2551 CB SER A 336 -14.721 51.210 25.049 1.00 24.99 C +ATOM 2552 OG SER A 336 -13.504 50.603 25.441 1.00 25.82 O +ATOM 2553 N SER A 337 -14.281 51.201 21.871 1.00 25.72 N +ATOM 2554 CA SER A 337 -13.600 50.734 20.691 1.00 23.71 C +ATOM 2555 C SER A 337 -12.936 51.889 19.924 1.00 22.39 C +ATOM 2556 O SER A 337 -11.781 51.761 19.504 1.00 22.25 O +ATOM 2557 CB SER A 337 -14.585 50.023 19.749 1.00 24.32 C +ATOM 2558 OG SER A 337 -13.998 49.794 18.492 1.00 28.77 O +ATOM 2559 N LEU A 338 -13.697 52.950 19.766 1.00 25.88 N +ATOM 2560 CA LEU A 338 -13.182 54.135 19.047 1.00 25.76 C +ATOM 2561 C LEU A 338 -11.964 54.672 19.780 1.00 25.32 C +ATOM 2562 O LEU A 338 -10.947 55.017 19.165 1.00 27.88 O +ATOM 2563 CB LEU A 338 -14.306 55.157 18.911 1.00 30.20 C +ATOM 2564 CG LEU A 338 -14.048 56.377 18.033 1.00 37.61 C +ATOM 2565 CD1 LEU A 338 -13.837 55.973 16.579 1.00 42.27 C +ATOM 2566 CD2 LEU A 338 -15.199 57.373 18.133 1.00 40.22 C +ATOM 2567 N MET A 339 -12.030 54.739 21.107 1.00 24.54 N +ATOM 2568 CA MET A 339 -10.923 55.226 21.935 1.00 24.64 C +ATOM 2569 C MET A 339 -9.706 54.344 21.883 1.00 23.42 C +ATOM 2570 O MET A 339 -8.531 54.755 21.872 1.00 26.68 O +ATOM 2571 CB MET A 339 -11.404 55.368 23.396 1.00 24.69 C +ATOM 2572 CG MET A 339 -12.449 56.472 23.499 1.00 24.08 C +ATOM 2573 SD MET A 339 -13.067 56.814 25.142 1.00 27.38 S +ATOM 2574 CE MET A 339 -11.550 57.343 25.954 1.00 19.91 C +ATOM 2575 N VAL A 340 -9.904 53.025 21.835 1.00 21.26 N +ATOM 2576 CA VAL A 340 -8.808 52.097 21.684 1.00 19.36 C +ATOM 2577 C VAL A 340 -8.081 52.271 20.359 1.00 18.93 C +ATOM 2578 O VAL A 340 -6.859 52.152 20.212 1.00 25.64 O +ATOM 2579 CB VAL A 340 -9.328 50.632 21.770 1.00 20.99 C +ATOM 2580 CG1 VAL A 340 -8.275 49.687 21.258 1.00 25.19 C +ATOM 2581 CG2 VAL A 340 -9.751 50.332 23.201 1.00 19.53 C +ATOM 2582 N ALA A 341 -8.883 52.564 19.331 1.00 23.52 N +ATOM 2583 CA ALA A 341 -8.261 52.833 18.048 1.00 25.15 C +ATOM 2584 C ALA A 341 -7.414 54.108 18.179 1.00 23.66 C +ATOM 2585 O ALA A 341 -6.360 54.114 17.561 1.00 33.19 O +ATOM 2586 CB ALA A 341 -9.280 52.991 16.929 1.00 27.46 C +ATOM 2587 N GLN A 342 -7.867 55.072 18.948 1.00 27.28 N +ATOM 2588 CA GLN A 342 -7.099 56.339 18.990 1.00 27.95 C +ATOM 2589 C GLN A 342 -5.829 56.129 19.794 1.00 28.67 C +ATOM 2590 O GLN A 342 -4.774 56.708 19.523 1.00 31.34 O +ATOM 2591 CB GLN A 342 -7.940 57.470 19.560 1.00 31.41 C +ATOM 2592 CG GLN A 342 -9.128 57.910 18.713 1.00 35.34 C +ATOM 2593 CD GLN A 342 -8.656 58.386 17.345 1.00 39.22 C +ATOM 2594 OE1 GLN A 342 -9.035 57.838 16.315 1.00 44.91 O +ATOM 2595 NE2 GLN A 342 -7.800 59.414 17.352 1.00 38.12 N +ATOM 2596 N ALA A 343 -5.902 55.270 20.817 1.00 25.06 N +ATOM 2597 CA ALA A 343 -4.769 55.058 21.699 1.00 24.31 C +ATOM 2598 C ALA A 343 -3.628 54.261 21.116 1.00 23.19 C +ATOM 2599 O ALA A 343 -2.466 54.324 21.502 1.00 26.58 O +ATOM 2600 CB ALA A 343 -5.262 54.315 22.954 1.00 23.83 C +ATOM 2601 N ILE A 344 -3.939 53.397 20.156 1.00 24.91 N +ATOM 2602 CA ILE A 344 -2.942 52.455 19.664 1.00 26.75 C +ATOM 2603 C ILE A 344 -1.717 53.167 19.078 1.00 26.85 C +ATOM 2604 O ILE A 344 -0.634 52.716 19.464 1.00 27.53 O +ATOM 2605 CB ILE A 344 -3.593 51.464 18.679 1.00 29.75 C +ATOM 2606 CG1 ILE A 344 -4.379 50.385 19.447 1.00 30.64 C +ATOM 2607 CG2 ILE A 344 -2.599 50.841 17.721 1.00 27.80 C +ATOM 2608 CD1 ILE A 344 -5.083 49.378 18.569 1.00 35.35 C +ATOM 2609 N PRO A 345 -1.874 54.173 18.234 1.00 27.84 N +ATOM 2610 CA PRO A 345 -0.681 54.886 17.770 1.00 29.38 C +ATOM 2611 C PRO A 345 0.017 55.658 18.887 1.00 30.16 C +ATOM 2612 O PRO A 345 1.233 55.868 18.834 1.00 37.44 O +ATOM 2613 CB PRO A 345 -1.217 55.891 16.750 1.00 30.15 C +ATOM 2614 CG PRO A 345 -2.637 55.577 16.496 1.00 30.33 C +ATOM 2615 CD PRO A 345 -3.096 54.702 17.612 1.00 29.43 C +ATOM 2616 N LEU A 346 -0.743 56.103 19.879 1.00 29.51 N +ATOM 2617 CA LEU A 346 -0.135 56.952 20.910 1.00 28.99 C +ATOM 2618 C LEU A 346 0.750 56.183 21.861 1.00 28.73 C +ATOM 2619 O LEU A 346 1.801 56.614 22.326 1.00 28.41 O +ATOM 2620 CB LEU A 346 -1.237 57.672 21.693 1.00 26.16 C +ATOM 2621 CG LEU A 346 -2.165 58.552 20.872 1.00 25.50 C +ATOM 2622 CD1 LEU A 346 -3.205 59.240 21.732 1.00 27.37 C +ATOM 2623 CD2 LEU A 346 -1.347 59.612 20.108 1.00 28.67 C +ATOM 2624 N VAL A 347 0.290 54.971 22.204 1.00 30.67 N +ATOM 2625 CA VAL A 347 1.047 54.170 23.162 1.00 33.53 C +ATOM 2626 C VAL A 347 1.185 52.714 22.714 1.00 38.01 C +ATOM 2627 O VAL A 347 2.182 52.090 23.106 1.00 43.94 O +ATOM 2628 CB VAL A 347 0.463 54.247 24.589 1.00 31.40 C +ATOM 2629 CG1 VAL A 347 0.321 55.687 25.082 1.00 36.92 C +ATOM 2630 CG2 VAL A 347 -0.886 53.566 24.693 1.00 32.76 C +ATOM 2631 N GLY A 348 0.289 52.134 21.931 1.00 42.45 N +ATOM 2632 CA GLY A 348 0.409 50.751 21.474 1.00 46.18 C +ATOM 2633 C GLY A 348 1.436 50.589 20.374 1.00 49.53 C +ATOM 2634 O GLY A 348 2.401 51.358 20.300 1.00 51.69 O +ATOM 2635 N GLU A 349 1.252 49.602 19.499 1.00 52.02 N +ATOM 2636 CA GLU A 349 2.204 49.405 18.405 1.00 56.01 C +ATOM 2637 C GLU A 349 1.683 48.507 17.291 1.00 60.13 C +ATOM 2638 O GLU A 349 2.436 47.714 16.702 1.00 61.86 O +ATOM 2639 CB GLU A 349 3.508 48.824 18.983 1.00 58.09 C +ATOM 2640 N LEU A 350 0.389 48.588 16.955 1.00 61.87 N +ATOM 2641 CA LEU A 350 -0.109 47.684 15.911 1.00 64.04 C +ATOM 2642 C LEU A 350 -0.662 48.453 14.712 1.00 66.07 C +ATOM 2643 O LEU A 350 -1.205 49.544 14.822 1.00 72.82 O +ATOM 2644 CB LEU A 350 -1.171 46.739 16.495 1.00 64.80 C +ATOM 2645 N ILE A 353 -4.021 46.956 11.216 1.00 54.15 N +ATOM 2646 CA ILE A 353 -5.168 47.783 11.585 1.00 52.42 C +ATOM 2647 C ILE A 353 -6.461 46.976 11.633 1.00 47.43 C +ATOM 2648 O ILE A 353 -6.672 46.064 10.825 1.00 51.82 O +ATOM 2649 CB ILE A 353 -5.355 48.956 10.598 1.00 56.77 C +ATOM 2650 CG1 ILE A 353 -4.115 49.838 10.458 1.00 58.12 C +ATOM 2651 CG2 ILE A 353 -6.578 49.766 10.988 1.00 61.49 C +ATOM 2652 CD1 ILE A 353 -4.060 50.595 9.152 1.00 62.01 C +ATOM 2653 N GLY A 354 -7.343 47.310 12.579 1.00 40.50 N +ATOM 2654 CA GLY A 354 -8.616 46.611 12.641 1.00 35.53 C +ATOM 2655 C GLY A 354 -8.858 45.865 13.936 1.00 31.04 C +ATOM 2656 O GLY A 354 -10.007 45.517 14.214 1.00 28.37 O +ATOM 2657 N PHE A 355 -7.805 45.650 14.721 1.00 28.68 N +ATOM 2658 CA PHE A 355 -8.022 45.102 16.069 1.00 25.85 C +ATOM 2659 C PHE A 355 -9.123 45.789 16.840 1.00 24.35 C +ATOM 2660 O PHE A 355 -9.936 45.190 17.569 1.00 24.38 O +ATOM 2661 CB PHE A 355 -6.679 45.188 16.832 1.00 25.90 C +ATOM 2662 CG PHE A 355 -6.856 44.893 18.316 1.00 23.89 C +ATOM 2663 CD1 PHE A 355 -6.947 43.575 18.712 1.00 23.20 C +ATOM 2664 CD2 PHE A 355 -6.926 45.879 19.275 1.00 25.18 C +ATOM 2665 CE1 PHE A 355 -7.120 43.271 20.044 1.00 21.43 C +ATOM 2666 CE2 PHE A 355 -7.137 45.592 20.602 1.00 21.17 C +ATOM 2667 CZ PHE A 355 -7.250 44.267 20.982 1.00 22.04 C +ATOM 2668 N ALA A 356 -9.258 47.113 16.783 1.00 22.86 N +ATOM 2669 CA ALA A 356 -10.131 47.823 17.703 1.00 22.90 C +ATOM 2670 C ALA A 356 -11.613 47.515 17.482 1.00 23.42 C +ATOM 2671 O ALA A 356 -12.399 47.476 18.432 1.00 26.85 O +ATOM 2672 CB ALA A 356 -9.857 49.329 17.644 1.00 24.60 C +ATOM 2673 N ALA A 357 -12.007 47.293 16.228 1.00 25.35 N +ATOM 2674 CA ALA A 357 -13.434 47.077 15.976 1.00 25.01 C +ATOM 2675 C ALA A 357 -13.718 45.585 15.819 1.00 23.44 C +ATOM 2676 O ALA A 357 -14.868 45.180 15.723 1.00 27.53 O +ATOM 2677 CB ALA A 357 -13.901 47.826 14.741 1.00 31.66 C +ATOM 2678 N TYR A 358 -12.676 44.762 15.776 1.00 23.86 N +ATOM 2679 CA TYR A 358 -12.936 43.316 15.691 1.00 25.23 C +ATOM 2680 C TYR A 358 -12.523 42.636 17.009 1.00 24.51 C +ATOM 2681 O TYR A 358 -13.433 42.485 17.832 1.00 28.16 O +ATOM 2682 CB TYR A 358 -12.288 42.679 14.459 1.00 26.87 C +ATOM 2683 CG TYR A 358 -12.967 41.371 14.067 1.00 25.80 C +ATOM 2684 CD1 TYR A 358 -12.794 40.223 14.827 1.00 26.12 C +ATOM 2685 CD2 TYR A 358 -13.765 41.281 12.939 1.00 24.78 C +ATOM 2686 CE1 TYR A 358 -13.358 39.014 14.545 1.00 25.84 C +ATOM 2687 CE2 TYR A 358 -14.351 40.056 12.634 1.00 24.07 C +ATOM 2688 CZ TYR A 358 -14.157 38.954 13.412 1.00 24.86 C +ATOM 2689 OH TYR A 358 -14.718 37.737 13.157 1.00 24.33 O +ATOM 2690 N ASN A 359 -11.300 42.197 17.180 1.00 23.13 N +ATOM 2691 CA ASN A 359 -10.905 41.331 18.291 1.00 23.91 C +ATOM 2692 C ASN A 359 -11.088 42.068 19.604 1.00 26.17 C +ATOM 2693 O ASN A 359 -11.416 41.407 20.593 1.00 25.17 O +ATOM 2694 CB ASN A 359 -9.499 40.793 18.151 1.00 22.45 C +ATOM 2695 CG ASN A 359 -9.447 39.502 17.349 1.00 24.77 C +ATOM 2696 OD1 ASN A 359 -10.512 38.923 17.091 1.00 25.86 O +ATOM 2697 ND2 ASN A 359 -8.255 39.108 16.983 1.00 21.93 N +ATOM 2698 N PHE A 360 -10.915 43.389 19.598 1.00 24.38 N +ATOM 2699 CA PHE A 360 -11.200 44.068 20.862 1.00 18.78 C +ATOM 2700 C PHE A 360 -12.661 43.885 21.228 1.00 21.14 C +ATOM 2701 O PHE A 360 -13.026 43.598 22.357 1.00 20.66 O +ATOM 2702 CB PHE A 360 -10.851 45.559 20.811 1.00 18.11 C +ATOM 2703 CG PHE A 360 -11.393 46.328 21.990 1.00 19.55 C +ATOM 2704 CD1 PHE A 360 -10.726 46.236 23.219 1.00 19.93 C +ATOM 2705 CD2 PHE A 360 -12.521 47.105 21.934 1.00 18.24 C +ATOM 2706 CE1 PHE A 360 -11.264 46.932 24.283 1.00 20.64 C +ATOM 2707 CE2 PHE A 360 -13.042 47.812 22.993 1.00 20.75 C +ATOM 2708 CZ PHE A 360 -12.391 47.717 24.218 1.00 21.80 C +ATOM 2709 N VAL A 361 -13.536 44.075 20.235 1.00 20.50 N +ATOM 2710 CA VAL A 361 -14.963 44.000 20.460 1.00 21.66 C +ATOM 2711 C VAL A 361 -15.349 42.540 20.788 1.00 21.17 C +ATOM 2712 O VAL A 361 -16.124 42.370 21.737 1.00 18.71 O +ATOM 2713 CB VAL A 361 -15.740 44.532 19.259 1.00 22.08 C +ATOM 2714 CG1 VAL A 361 -17.209 44.101 19.278 1.00 22.64 C +ATOM 2715 CG2 VAL A 361 -15.655 46.065 19.199 1.00 20.49 C +ATOM 2716 N GLU A 362 -14.854 41.567 20.052 1.00 22.10 N +ATOM 2717 CA GLU A 362 -15.251 40.172 20.298 1.00 23.13 C +ATOM 2718 C GLU A 362 -14.740 39.724 21.664 1.00 22.49 C +ATOM 2719 O GLU A 362 -15.425 39.030 22.406 1.00 21.02 O +ATOM 2720 CB GLU A 362 -14.762 39.262 19.183 1.00 24.87 C +ATOM 2721 CG GLU A 362 -15.424 39.631 17.849 1.00 29.15 C +ATOM 2722 CD GLU A 362 -16.940 39.595 17.894 1.00 32.69 C +ATOM 2723 OE1 GLU A 362 -17.488 38.618 18.442 1.00 32.91 O +ATOM 2724 OE2 GLU A 362 -17.623 40.515 17.383 1.00 37.16 O +ATOM 2725 N SER A 363 -13.529 40.133 22.000 1.00 22.36 N +ATOM 2726 CA SER A 363 -12.999 39.756 23.307 1.00 21.92 C +ATOM 2727 C SER A 363 -13.768 40.412 24.436 1.00 19.98 C +ATOM 2728 O SER A 363 -14.145 39.778 25.440 1.00 21.08 O +ATOM 2729 CB SER A 363 -11.526 40.159 23.370 1.00 22.67 C +ATOM 2730 OG SER A 363 -11.006 39.753 24.624 1.00 20.41 O +ATOM 2731 N ILE A 364 -13.983 41.722 24.327 1.00 18.39 N +ATOM 2732 CA ILE A 364 -14.674 42.406 25.418 1.00 17.71 C +ATOM 2733 C ILE A 364 -16.118 41.924 25.562 1.00 18.47 C +ATOM 2734 O ILE A 364 -16.617 41.878 26.692 1.00 21.37 O +ATOM 2735 CB ILE A 364 -14.508 43.933 25.249 1.00 20.72 C +ATOM 2736 CG1 ILE A 364 -14.659 44.610 26.618 1.00 23.94 C +ATOM 2737 CG2 ILE A 364 -15.391 44.537 24.188 1.00 22.63 C +ATOM 2738 CD1 ILE A 364 -14.444 46.094 26.585 1.00 30.11 C +ATOM 2739 N ILE A 365 -16.778 41.549 24.471 1.00 19.05 N +ATOM 2740 CA ILE A 365 -18.129 40.957 24.535 1.00 18.50 C +ATOM 2741 C ILE A 365 -18.100 39.690 25.388 1.00 17.54 C +ATOM 2742 O ILE A 365 -18.971 39.470 26.259 1.00 22.97 O +ATOM 2743 CB ILE A 365 -18.679 40.734 23.122 1.00 19.75 C +ATOM 2744 CG1 ILE A 365 -19.319 42.004 22.541 1.00 19.72 C +ATOM 2745 CG2 ILE A 365 -19.685 39.603 23.094 1.00 24.20 C +ATOM 2746 CD1 ILE A 365 -19.736 41.889 21.094 1.00 25.43 C +ATOM 2747 N ASN A 366 -17.080 38.861 25.180 1.00 17.36 N +ATOM 2748 CA ASN A 366 -16.932 37.644 25.976 1.00 15.76 C +ATOM 2749 C ASN A 366 -16.817 38.010 27.452 1.00 18.44 C +ATOM 2750 O ASN A 366 -17.414 37.416 28.341 1.00 19.41 O +ATOM 2751 CB ASN A 366 -15.740 36.879 25.476 1.00 18.81 C +ATOM 2752 CG ASN A 366 -15.446 35.640 26.285 1.00 21.81 C +ATOM 2753 OD1 ASN A 366 -15.002 35.749 27.421 1.00 25.60 O +ATOM 2754 ND2 ASN A 366 -15.722 34.490 25.688 1.00 28.76 N +ATOM 2755 N LEU A 367 -16.032 39.049 27.764 1.00 18.67 N +ATOM 2756 CA LEU A 367 -15.934 39.372 29.201 1.00 17.60 C +ATOM 2757 C LEU A 367 -17.198 39.938 29.819 1.00 18.15 C +ATOM 2758 O LEU A 367 -17.485 39.667 30.981 1.00 17.36 O +ATOM 2759 CB LEU A 367 -14.752 40.349 29.371 1.00 17.65 C +ATOM 2760 CG LEU A 367 -13.408 39.774 28.920 1.00 18.18 C +ATOM 2761 CD1 LEU A 367 -12.340 40.863 28.999 1.00 15.59 C +ATOM 2762 CD2 LEU A 367 -12.958 38.574 29.730 1.00 17.76 C +ATOM 2763 N PHE A 368 -17.979 40.736 29.093 1.00 16.49 N +ATOM 2764 CA PHE A 368 -19.295 41.144 29.542 1.00 16.90 C +ATOM 2765 C PHE A 368 -20.115 39.897 29.883 1.00 16.92 C +ATOM 2766 O PHE A 368 -20.782 39.861 30.905 1.00 20.27 O +ATOM 2767 CB PHE A 368 -20.001 41.931 28.466 1.00 18.42 C +ATOM 2768 CG PHE A 368 -19.805 43.426 28.373 1.00 18.46 C +ATOM 2769 CD1 PHE A 368 -18.672 43.948 27.786 1.00 18.99 C +ATOM 2770 CD2 PHE A 368 -20.790 44.274 28.855 1.00 20.50 C +ATOM 2771 CE1 PHE A 368 -18.497 45.317 27.650 1.00 20.34 C +ATOM 2772 CE2 PHE A 368 -20.623 45.648 28.721 1.00 22.50 C +ATOM 2773 CZ PHE A 368 -19.487 46.149 28.112 1.00 20.88 C +ATOM 2774 N GLN A 369 -20.011 38.923 28.980 1.00 16.72 N +ATOM 2775 CA GLN A 369 -20.837 37.726 29.132 1.00 17.10 C +ATOM 2776 C GLN A 369 -20.484 37.027 30.441 1.00 17.12 C +ATOM 2777 O GLN A 369 -21.344 36.563 31.178 1.00 18.16 O +ATOM 2778 CB GLN A 369 -20.683 36.758 27.959 1.00 17.49 C +ATOM 2779 CG GLN A 369 -21.436 37.266 26.722 1.00 19.67 C +ATOM 2780 CD GLN A 369 -21.006 36.615 25.437 1.00 20.15 C +ATOM 2781 OE1 GLN A 369 -19.955 36.002 25.302 1.00 21.10 O +ATOM 2782 NE2 GLN A 369 -21.870 36.726 24.425 1.00 20.92 N +ATOM 2783 N VAL A 370 -19.191 36.965 30.739 1.00 18.01 N +ATOM 2784 CA VAL A 370 -18.736 36.336 31.973 1.00 17.56 C +ATOM 2785 C VAL A 370 -19.236 37.039 33.207 1.00 18.96 C +ATOM 2786 O VAL A 370 -19.758 36.465 34.165 1.00 20.18 O +ATOM 2787 CB VAL A 370 -17.191 36.354 31.973 1.00 16.48 C +ATOM 2788 CG1 VAL A 370 -16.676 35.910 33.329 1.00 16.19 C +ATOM 2789 CG2 VAL A 370 -16.621 35.497 30.864 1.00 19.42 C +ATOM 2790 N VAL A 371 -19.075 38.372 33.212 1.00 18.24 N +ATOM 2791 CA VAL A 371 -19.473 39.133 34.385 1.00 16.86 C +ATOM 2792 C VAL A 371 -20.986 39.176 34.508 1.00 20.19 C +ATOM 2793 O VAL A 371 -21.468 39.066 35.633 1.00 19.02 O +ATOM 2794 CB VAL A 371 -18.815 40.534 34.363 1.00 15.24 C +ATOM 2795 CG1 VAL A 371 -19.234 41.354 35.556 1.00 18.93 C +ATOM 2796 CG2 VAL A 371 -17.299 40.372 34.355 1.00 16.50 C +ATOM 2797 N HIS A 372 -21.739 39.316 33.414 1.00 19.26 N +ATOM 2798 CA HIS A 372 -23.198 39.261 33.477 1.00 18.53 C +ATOM 2799 C HIS A 372 -23.652 37.921 34.037 1.00 19.89 C +ATOM 2800 O HIS A 372 -24.571 37.819 34.847 1.00 19.50 O +ATOM 2801 CB HIS A 372 -23.785 39.477 32.084 1.00 19.87 C +ATOM 2802 CG HIS A 372 -23.751 40.892 31.609 1.00 22.71 C +ATOM 2803 ND1 HIS A 372 -24.115 41.258 30.330 1.00 25.79 N +ATOM 2804 CD2 HIS A 372 -23.416 42.046 32.233 1.00 21.79 C +ATOM 2805 CE1 HIS A 372 -23.992 42.568 30.187 1.00 23.12 C +ATOM 2806 NE2 HIS A 372 -23.574 43.072 31.339 1.00 21.41 N +ATOM 2807 N ASN A 373 -23.000 36.853 33.586 1.00 18.47 N +ATOM 2808 CA ASN A 373 -23.350 35.522 34.114 1.00 19.27 C +ATOM 2809 C ASN A 373 -23.138 35.455 35.620 1.00 19.82 C +ATOM 2810 O ASN A 373 -23.941 34.851 36.346 1.00 20.68 O +ATOM 2811 CB ASN A 373 -22.547 34.489 33.350 1.00 19.99 C +ATOM 2812 CG ASN A 373 -22.786 33.083 33.874 1.00 23.18 C +ATOM 2813 OD1 ASN A 373 -22.024 32.590 34.701 1.00 20.25 O +ATOM 2814 ND2 ASN A 373 -23.869 32.504 33.372 1.00 27.98 N +ATOM 2815 N SER A 374 -22.081 36.089 36.156 1.00 18.30 N +ATOM 2816 CA SER A 374 -21.885 36.137 37.593 1.00 17.55 C +ATOM 2817 C SER A 374 -22.951 36.927 38.322 1.00 19.79 C +ATOM 2818 O SER A 374 -23.486 36.481 39.349 1.00 18.91 O +ATOM 2819 CB SER A 374 -20.513 36.763 37.944 1.00 19.34 C +ATOM 2820 OG SER A 374 -19.483 35.886 37.580 1.00 24.64 O +ATOM 2821 N TYR A 375 -23.308 38.090 37.800 1.00 18.06 N +ATOM 2822 CA TYR A 375 -24.369 38.884 38.422 1.00 19.88 C +ATOM 2823 C TYR A 375 -25.733 38.231 38.313 1.00 21.05 C +ATOM 2824 O TYR A 375 -26.652 38.568 39.064 1.00 24.40 O +ATOM 2825 CB TYR A 375 -24.340 40.296 37.805 1.00 20.30 C +ATOM 2826 CG TYR A 375 -23.331 41.169 38.546 1.00 20.67 C +ATOM 2827 CD1 TYR A 375 -23.685 41.757 39.750 1.00 22.08 C +ATOM 2828 CD2 TYR A 375 -22.053 41.394 38.050 1.00 21.10 C +ATOM 2829 CE1 TYR A 375 -22.801 42.556 40.457 1.00 21.18 C +ATOM 2830 CE2 TYR A 375 -21.165 42.191 38.753 1.00 23.63 C +ATOM 2831 CZ TYR A 375 -21.538 42.765 39.946 1.00 22.23 C +ATOM 2832 OH TYR A 375 -20.657 43.559 40.644 1.00 22.84 O +ATOM 2833 N ASN A 376 -25.874 37.284 37.372 1.00 20.53 N +ATOM 2834 CA ASN A 376 -27.161 36.593 37.228 1.00 22.74 C +ATOM 2835 C ASN A 376 -27.308 35.470 38.251 1.00 24.76 C +ATOM 2836 O ASN A 376 -28.381 34.848 38.347 1.00 27.68 O +ATOM 2837 CB ASN A 376 -27.284 36.024 35.818 1.00 21.70 C +ATOM 2838 CG ASN A 376 -27.777 37.034 34.803 1.00 22.29 C +ATOM 2839 OD1 ASN A 376 -28.266 38.105 35.139 1.00 23.07 O +ATOM 2840 ND2 ASN A 376 -27.614 36.672 33.533 1.00 23.34 N +ATOM 2841 N ARG A 377 -26.259 35.186 38.998 1.00 24.20 N +ATOM 2842 CA ARG A 377 -26.199 34.143 40.016 1.00 22.00 C +ATOM 2843 C ARG A 377 -26.365 34.725 41.410 1.00 23.60 C +ATOM 2844 O ARG A 377 -26.060 35.894 41.648 1.00 27.94 O +ATOM 2845 CB ARG A 377 -24.858 33.401 39.973 1.00 21.78 C +ATOM 2846 CG ARG A 377 -24.676 32.554 38.736 1.00 22.00 C +ATOM 2847 CD ARG A 377 -23.244 32.018 38.638 1.00 23.89 C +ATOM 2848 NE ARG A 377 -23.069 31.419 37.308 1.00 28.21 N +ATOM 2849 CZ ARG A 377 -23.234 30.145 37.013 1.00 27.32 C +ATOM 2850 NH1 ARG A 377 -23.571 29.223 37.901 1.00 29.84 N +ATOM 2851 NH2 ARG A 377 -23.039 29.774 35.741 1.00 32.50 N +ATOM 2852 N PRO A 378 -26.821 33.944 42.377 1.00 26.25 N +ATOM 2853 CA APRO A 378 -26.899 34.460 43.745 0.60 26.37 C +ATOM 2854 CA BPRO A 378 -26.893 34.423 43.757 0.40 26.46 C +ATOM 2855 C PRO A 378 -25.492 34.761 44.253 1.00 26.07 C +ATOM 2856 O PRO A 378 -24.528 34.029 43.980 1.00 24.81 O +ATOM 2857 CB APRO A 378 -27.550 33.333 44.532 0.60 27.24 C +ATOM 2858 CB BPRO A 378 -27.469 33.235 44.520 0.40 27.04 C +ATOM 2859 CG APRO A 378 -27.656 32.157 43.646 0.60 26.47 C +ATOM 2860 CG BPRO A 378 -28.103 32.359 43.493 0.40 26.59 C +ATOM 2861 CD APRO A 378 -27.288 32.558 42.254 0.60 26.26 C +ATOM 2862 CD BPRO A 378 -27.305 32.560 42.232 0.40 26.29 C +ATOM 2863 N ALA A 379 -25.378 35.870 44.986 1.00 26.30 N +ATOM 2864 CA ALA A 379 -24.114 36.294 45.538 1.00 26.34 C +ATOM 2865 C ALA A 379 -23.657 35.322 46.630 1.00 25.21 C +ATOM 2866 O ALA A 379 -24.330 35.063 47.624 1.00 26.56 O +ATOM 2867 CB ALA A 379 -24.128 37.701 46.115 1.00 25.25 C +ATOM 2868 N TYR A 380 -22.450 34.806 46.401 1.00 23.80 N +ATOM 2869 CA TYR A 380 -21.854 33.885 47.353 1.00 23.53 C +ATOM 2870 C TYR A 380 -21.616 34.660 48.650 1.00 26.27 C +ATOM 2871 O TYR A 380 -21.181 35.802 48.489 1.00 30.75 O +ATOM 2872 CB TYR A 380 -20.565 33.305 46.804 1.00 22.99 C +ATOM 2873 CG TYR A 380 -19.745 32.520 47.783 1.00 23.01 C +ATOM 2874 CD1 TYR A 380 -20.320 31.449 48.468 1.00 23.37 C +ATOM 2875 CD2 TYR A 380 -18.411 32.833 48.027 1.00 21.21 C +ATOM 2876 CE1 TYR A 380 -19.556 30.723 49.374 1.00 20.53 C +ATOM 2877 CE2 TYR A 380 -17.645 32.121 48.915 1.00 21.15 C +ATOM 2878 CZ TYR A 380 -18.235 31.070 49.585 1.00 22.52 C +ATOM 2879 OH TYR A 380 -17.510 30.327 50.479 1.00 21.68 O +ATOM 2880 N SER A 381 -21.905 34.044 49.770 1.00 28.15 N +ATOM 2881 CA SER A 381 -21.685 34.450 51.141 1.00 33.17 C +ATOM 2882 C SER A 381 -20.750 35.644 51.242 1.00 34.18 C +ATOM 2883 O SER A 381 -19.540 35.459 51.351 1.00 32.41 O +ATOM 2884 CB SER A 381 -21.071 33.250 51.882 1.00 36.34 C +ATOM 2885 OG SER A 381 -20.694 33.612 53.197 1.00 40.77 O +ATOM 2886 N PRO A 382 -21.266 36.859 51.144 1.00 34.06 N +ATOM 2887 CA PRO A 382 -20.421 38.065 51.076 1.00 34.28 C +ATOM 2888 C PRO A 382 -19.532 38.338 52.275 1.00 33.32 C +ATOM 2889 O PRO A 382 -18.427 38.877 52.117 1.00 31.07 O +ATOM 2890 CB PRO A 382 -21.466 39.191 50.953 1.00 32.98 C +ATOM 2891 CG PRO A 382 -22.604 38.483 50.269 1.00 33.74 C +ATOM 2892 CD PRO A 382 -22.694 37.186 51.045 1.00 33.20 C +ATOM 2893 N GLY A 383 -19.921 38.006 53.503 1.00 31.32 N +ATOM 2894 CA GLY A 383 -19.043 38.434 54.594 1.00 27.32 C +ATOM 2895 C GLY A 383 -17.859 37.538 54.863 1.00 25.65 C +ATOM 2896 O GLY A 383 -17.959 36.321 54.919 1.00 26.90 O +ATOM 2897 N HIS A 384 -16.669 38.126 55.076 1.00 24.11 N +ATOM 2898 CA HIS A 384 -15.505 37.390 55.516 1.00 22.09 C +ATOM 2899 C HIS A 384 -15.670 36.900 56.952 1.00 21.61 C +ATOM 2900 O HIS A 384 -16.056 37.622 57.880 1.00 24.70 O +ATOM 2901 CB HIS A 384 -14.221 38.246 55.410 1.00 21.71 C +ATOM 2902 CG HIS A 384 -13.909 38.543 53.978 1.00 21.01 C +ATOM 2903 ND1 HIS A 384 -13.127 37.714 53.217 1.00 20.69 N +ATOM 2904 CD2 HIS A 384 -14.292 39.552 53.179 1.00 21.81 C +ATOM 2905 CE1 HIS A 384 -13.038 38.225 51.997 1.00 19.65 C +ATOM 2906 NE2 HIS A 384 -13.728 39.338 51.938 1.00 20.26 N +ATOM 2907 N LYS A 385 -15.376 35.634 57.157 1.00 22.39 N +ATOM 2908 CA LYS A 385 -15.643 34.935 58.406 1.00 24.45 C +ATOM 2909 C LYS A 385 -14.404 34.871 59.295 1.00 24.49 C +ATOM 2910 O LYS A 385 -14.467 34.470 60.460 1.00 22.90 O +ATOM 2911 CB LYS A 385 -16.147 33.519 58.119 1.00 27.17 C +ATOM 2912 CG LYS A 385 -17.410 33.453 57.267 1.00 32.31 C +ATOM 2913 CD LYS A 385 -18.376 34.586 57.604 1.00 37.30 C +ATOM 2914 CE LYS A 385 -19.792 34.275 57.110 1.00 40.28 C +ATOM 2915 NZ LYS A 385 -20.771 35.327 57.505 1.00 43.51 N +ATOM 2916 N THR A 386 -13.278 35.274 58.730 1.00 22.55 N +ATOM 2917 CA THR A 386 -12.039 35.584 59.434 1.00 21.17 C +ATOM 2918 C THR A 386 -11.546 36.928 58.924 1.00 20.37 C +ATOM 2919 O THR A 386 -11.972 37.376 57.864 1.00 20.89 O +ATOM 2920 CB THR A 386 -10.945 34.523 59.302 1.00 22.04 C +ATOM 2921 OG1 THR A 386 -10.477 34.413 57.961 1.00 20.49 O +ATOM 2922 CG2 THR A 386 -11.548 33.169 59.681 1.00 26.52 C +ATOM 2923 N GLN A 387 -10.687 37.609 59.684 1.00 23.95 N +ATOM 2924 CA GLN A 387 -10.294 38.950 59.281 1.00 22.83 C +ATOM 2925 C GLN A 387 -9.567 38.948 57.941 1.00 18.25 C +ATOM 2926 O GLN A 387 -8.555 38.294 57.746 1.00 20.43 O +ATOM 2927 CB GLN A 387 -9.361 39.553 60.348 1.00 25.06 C +ATOM 2928 CG GLN A 387 -9.229 41.066 60.235 1.00 24.43 C +ATOM 2929 CD GLN A 387 -8.480 41.660 61.424 1.00 24.83 C +ATOM 2930 OE1 GLN A 387 -9.108 42.196 62.340 1.00 26.31 O +ATOM 2931 NE2 GLN A 387 -7.170 41.542 61.361 1.00 30.20 N +ATOM 2932 N PRO A 388 -10.061 39.684 56.948 1.00 18.59 N +ATOM 2933 CA PRO A 388 -9.388 39.619 55.647 1.00 18.63 C +ATOM 2934 C PRO A 388 -8.099 40.425 55.516 1.00 19.69 C +ATOM 2935 O PRO A 388 -7.817 41.332 56.284 1.00 23.13 O +ATOM 2936 CB PRO A 388 -10.449 40.246 54.735 1.00 19.63 C +ATOM 2937 CG PRO A 388 -11.169 41.235 55.616 1.00 22.02 C +ATOM 2938 CD PRO A 388 -11.226 40.553 56.955 1.00 19.86 C +ATOM 2939 N PHE A 389 -7.327 40.054 54.504 1.00 20.83 N +ATOM 2940 CA PHE A 389 -6.181 40.834 54.051 1.00 21.07 C +ATOM 2941 C PHE A 389 -6.707 41.718 52.925 1.00 19.79 C +ATOM 2942 O PHE A 389 -7.363 41.235 51.997 1.00 18.72 O +ATOM 2943 CB PHE A 389 -4.982 39.986 53.636 1.00 26.35 C +ATOM 2944 CG PHE A 389 -3.853 40.890 53.121 1.00 32.50 C +ATOM 2945 CD1 PHE A 389 -3.221 41.795 53.960 1.00 36.00 C +ATOM 2946 CD2 PHE A 389 -3.443 40.820 51.801 1.00 34.08 C +ATOM 2947 CE1 PHE A 389 -2.213 42.621 53.483 1.00 35.30 C +ATOM 2948 CE2 PHE A 389 -2.444 41.653 51.308 1.00 34.78 C +ATOM 2949 CZ PHE A 389 -1.828 42.552 52.157 1.00 35.33 C +ATOM 2950 N LEU A 390 -6.445 43.015 53.056 1.00 20.63 N +ATOM 2951 CA LEU A 390 -6.943 44.005 52.112 1.00 20.45 C +ATOM 2952 C LEU A 390 -5.836 44.602 51.247 1.00 21.28 C +ATOM 2953 O LEU A 390 -4.807 45.061 51.756 1.00 23.87 O +ATOM 2954 CB LEU A 390 -7.641 45.141 52.857 1.00 21.15 C +ATOM 2955 CG LEU A 390 -8.705 44.714 53.872 1.00 22.33 C +ATOM 2956 CD1 LEU A 390 -9.052 45.871 54.783 1.00 23.50 C +ATOM 2957 CD2 LEU A 390 -9.914 44.170 53.132 1.00 28.46 C +ATOM 2958 N HIS A 391 -6.025 44.595 49.925 1.00 18.88 N +ATOM 2959 CA HIS A 391 -4.997 45.125 49.019 1.00 18.59 C +ATOM 2960 C HIS A 391 -5.578 45.455 47.650 1.00 19.56 C +ATOM 2961 O HIS A 391 -6.247 44.587 47.080 1.00 19.05 O +ATOM 2962 CB HIS A 391 -3.879 44.097 48.874 1.00 21.68 C +ATOM 2963 CG HIS A 391 -2.661 44.606 48.177 1.00 26.36 C +ATOM 2964 ND1 HIS A 391 -1.910 45.647 48.686 1.00 27.35 N +ATOM 2965 CD2 HIS A 391 -2.061 44.238 47.027 1.00 27.71 C +ATOM 2966 CE1 HIS A 391 -0.905 45.895 47.881 1.00 28.51 C +ATOM 2967 NE2 HIS A 391 -0.970 45.058 46.865 1.00 28.75 N +ATOM 2968 N ASP A 392 -5.341 46.645 47.115 1.00 18.66 N +ATOM 2969 CA ASP A 392 -5.723 47.078 45.789 1.00 21.14 C +ATOM 2970 C ASP A 392 -7.198 46.824 45.494 1.00 21.15 C +ATOM 2971 O ASP A 392 -7.586 46.593 44.341 1.00 23.09 O +ATOM 2972 CB ASP A 392 -4.855 46.385 44.730 1.00 18.48 C +ATOM 2973 CG ASP A 392 -3.457 46.967 44.609 1.00 20.70 C +ATOM 2974 OD1 ASP A 392 -3.271 48.124 45.068 1.00 24.62 O +ATOM 2975 OD2 ASP A 392 -2.546 46.323 44.058 1.00 20.95 O +ATOM 2976 N GLY A 393 -8.021 46.879 46.548 1.00 18.41 N +ATOM 2977 CA GLY A 393 -9.472 46.781 46.353 1.00 20.27 C +ATOM 2978 C GLY A 393 -10.000 45.378 46.623 1.00 17.92 C +ATOM 2979 O GLY A 393 -11.214 45.150 46.716 1.00 20.45 O +ATOM 2980 N TYR A 394 -9.096 44.430 46.751 1.00 18.69 N +ATOM 2981 CA TYR A 394 -9.424 43.038 47.035 1.00 18.46 C +ATOM 2982 C TYR A 394 -9.405 42.805 48.546 1.00 18.86 C +ATOM 2983 O TYR A 394 -8.702 43.505 49.283 1.00 21.38 O +ATOM 2984 CB TYR A 394 -8.438 42.091 46.365 1.00 18.52 C +ATOM 2985 CG TYR A 394 -8.194 42.162 44.898 1.00 18.70 C +ATOM 2986 CD1 TYR A 394 -7.193 42.936 44.312 1.00 17.60 C +ATOM 2987 CD2 TYR A 394 -8.985 41.419 44.025 1.00 17.80 C +ATOM 2988 CE1 TYR A 394 -7.006 42.966 42.944 1.00 17.27 C +ATOM 2989 CE2 TYR A 394 -8.823 41.430 42.666 1.00 16.91 C +ATOM 2990 CZ TYR A 394 -7.827 42.218 42.119 1.00 16.61 C +ATOM 2991 OH TYR A 394 -7.624 42.243 40.767 1.00 15.93 O +ATOM 2992 N ALA A 395 -10.155 41.789 48.938 1.00 18.33 N +ATOM 2993 CA ALA A 395 -10.169 41.263 50.285 1.00 18.89 C +ATOM 2994 C ALA A 395 -10.161 39.731 50.233 1.00 19.67 C +ATOM 2995 O ALA A 395 -11.013 39.152 49.546 1.00 19.39 O +ATOM 2996 CB ALA A 395 -11.361 41.750 51.068 1.00 20.57 C +ATOM 2997 N VAL A 396 -9.193 39.147 50.908 1.00 19.61 N +ATOM 2998 CA VAL A 396 -9.009 37.703 50.925 1.00 18.80 C +ATOM 2999 C VAL A 396 -8.948 37.231 52.375 1.00 19.78 C +ATOM 3000 O VAL A 396 -8.313 37.866 53.220 1.00 18.72 O +ATOM 3001 CB VAL A 396 -7.778 37.265 50.137 1.00 19.42 C +ATOM 3002 CG1 VAL A 396 -7.933 37.706 48.670 1.00 21.55 C +ATOM 3003 CG2 VAL A 396 -6.480 37.788 50.717 1.00 23.68 C +ATOM 3004 N SER A 397 -9.654 36.135 52.631 1.00 18.79 N +ATOM 3005 CA SER A 397 -9.624 35.564 53.973 1.00 18.05 C +ATOM 3006 C SER A 397 -9.702 34.047 53.955 1.00 18.47 C +ATOM 3007 O SER A 397 -10.251 33.447 53.032 1.00 18.44 O +ATOM 3008 CB SER A 397 -10.801 36.113 54.786 1.00 17.32 C +ATOM 3009 OG SER A 397 -12.040 35.693 54.228 1.00 18.58 O +ATOM 3010 N TRP A 398 -9.140 33.410 54.980 1.00 18.28 N +ATOM 3011 CA TRP A 398 -9.416 31.996 55.197 1.00 18.13 C +ATOM 3012 C TRP A 398 -10.896 31.806 55.486 1.00 19.87 C +ATOM 3013 O TRP A 398 -11.489 32.528 56.305 1.00 19.30 O +ATOM 3014 CB TRP A 398 -8.577 31.471 56.356 1.00 18.72 C +ATOM 3015 CG TRP A 398 -7.100 31.516 56.137 1.00 18.67 C +ATOM 3016 CD1 TRP A 398 -6.231 32.362 56.763 1.00 20.48 C +ATOM 3017 CD2 TRP A 398 -6.305 30.711 55.258 1.00 18.90 C +ATOM 3018 NE1 TRP A 398 -4.954 32.133 56.325 1.00 21.77 N +ATOM 3019 CE2 TRP A 398 -4.959 31.122 55.401 1.00 20.03 C +ATOM 3020 CE3 TRP A 398 -6.584 29.678 54.362 1.00 17.69 C +ATOM 3021 CZ2 TRP A 398 -3.925 30.534 54.680 1.00 19.74 C +ATOM 3022 CZ3 TRP A 398 -5.552 29.100 53.652 1.00 18.76 C +ATOM 3023 CH2 TRP A 398 -4.225 29.523 53.809 1.00 21.70 C +ATOM 3024 N ASN A 399 -11.538 30.830 54.829 1.00 18.10 N +ATOM 3025 CA ASN A 399 -12.969 30.649 55.072 1.00 18.91 C +ATOM 3026 C ASN A 399 -13.251 30.377 56.550 1.00 18.34 C +ATOM 3027 O ASN A 399 -14.230 30.887 57.089 1.00 22.86 O +ATOM 3028 CB ASN A 399 -13.468 29.511 54.178 1.00 18.17 C +ATOM 3029 CG ASN A 399 -14.982 29.527 54.015 1.00 20.57 C +ATOM 3030 OD1 ASN A 399 -15.586 30.537 53.681 1.00 23.38 O +ATOM 3031 ND2 ASN A 399 -15.542 28.350 54.278 1.00 23.75 N +ATOM 3032 N THR A 400 -12.406 29.590 57.168 1.00 18.00 N +ATOM 3033 CA THR A 400 -12.415 29.248 58.581 1.00 21.25 C +ATOM 3034 C THR A 400 -10.982 29.143 59.087 1.00 21.33 C +ATOM 3035 O THR A 400 -10.026 29.012 58.325 1.00 20.51 O +ATOM 3036 CB THR A 400 -13.130 27.927 58.918 1.00 19.48 C +ATOM 3037 OG1 THR A 400 -12.385 26.834 58.370 1.00 20.99 O +ATOM 3038 CG2 THR A 400 -14.515 27.840 58.316 1.00 23.73 C +ATOM 3039 N VAL A 401 -10.764 29.191 60.408 1.00 22.04 N +ATOM 3040 CA VAL A 401 -9.403 29.086 60.919 1.00 21.90 C +ATOM 3041 C VAL A 401 -8.743 27.788 60.471 1.00 20.50 C +ATOM 3042 O VAL A 401 -7.579 27.747 60.055 1.00 24.87 O +ATOM 3043 CB VAL A 401 -9.360 29.158 62.456 1.00 26.17 C +ATOM 3044 CG1 VAL A 401 -7.920 29.159 62.944 1.00 30.50 C +ATOM 3045 CG2 VAL A 401 -10.084 30.384 62.987 1.00 34.61 C +ATOM 3046 N GLU A 402 -9.508 26.696 60.493 1.00 19.53 N +ATOM 3047 CA GLU A 402 -8.983 25.396 60.139 1.00 22.83 C +ATOM 3048 C GLU A 402 -8.409 25.399 58.717 1.00 23.66 C +ATOM 3049 O GLU A 402 -7.448 24.701 58.452 1.00 22.24 O +ATOM 3050 CB GLU A 402 -10.024 24.284 60.248 1.00 24.55 C +ATOM 3051 CG GLU A 402 -9.498 22.881 60.032 1.00 25.59 C +ATOM 3052 CD GLU A 402 -8.429 22.413 60.995 1.00 26.14 C +ATOM 3053 OE1 GLU A 402 -8.381 22.878 62.158 1.00 29.75 O +ATOM 3054 OE2 GLU A 402 -7.593 21.575 60.584 1.00 27.78 O +ATOM 3055 N ASP A 403 -8.989 26.191 57.822 1.00 22.63 N +ATOM 3056 CA ASP A 403 -8.491 26.215 56.442 1.00 21.01 C +ATOM 3057 C ASP A 403 -7.078 26.757 56.418 1.00 20.83 C +ATOM 3058 O ASP A 403 -6.307 26.421 55.536 1.00 20.89 O +ATOM 3059 CB ASP A 403 -9.387 27.068 55.551 1.00 18.49 C +ATOM 3060 CG ASP A 403 -10.718 26.395 55.275 1.00 20.96 C +ATOM 3061 OD1 ASP A 403 -10.701 25.401 54.515 1.00 17.85 O +ATOM 3062 OD2 ASP A 403 -11.730 26.899 55.810 1.00 21.02 O +ATOM 3063 N SER A 404 -6.707 27.589 57.389 1.00 21.23 N +ATOM 3064 CA SER A 404 -5.364 28.131 57.459 1.00 21.52 C +ATOM 3065 C SER A 404 -4.304 27.185 58.028 1.00 23.26 C +ATOM 3066 O SER A 404 -3.134 27.544 58.137 1.00 27.10 O +ATOM 3067 CB SER A 404 -5.390 29.415 58.298 1.00 21.01 C +ATOM 3068 OG SER A 404 -5.454 29.117 59.679 1.00 24.50 O +ATOM 3069 N ILE A 405 -4.685 25.984 58.408 1.00 22.03 N +ATOM 3070 CA ILE A 405 -3.775 25.034 59.027 1.00 21.90 C +ATOM 3071 C ILE A 405 -3.533 23.854 58.101 1.00 22.31 C +ATOM 3072 O ILE A 405 -4.467 23.244 57.574 1.00 24.50 O +ATOM 3073 CB ILE A 405 -4.353 24.526 60.364 1.00 24.26 C +ATOM 3074 CG1 ILE A 405 -4.610 25.636 61.401 1.00 26.10 C +ATOM 3075 CG2 ILE A 405 -3.479 23.447 60.948 1.00 22.35 C +ATOM 3076 CD1 ILE A 405 -5.648 25.220 62.416 1.00 34.25 C +ATOM 3077 N ILE A 406 -2.274 23.527 57.884 1.00 21.59 N +ATOM 3078 CA ILE A 406 -1.943 22.259 57.254 1.00 21.83 C +ATOM 3079 C ILE A 406 -1.572 21.321 58.392 1.00 22.32 C +ATOM 3080 O ILE A 406 -0.546 21.565 59.036 1.00 26.74 O +ATOM 3081 CB ILE A 406 -0.833 22.414 56.219 1.00 23.64 C +ATOM 3082 CG1 ILE A 406 -1.257 23.309 55.051 1.00 25.27 C +ATOM 3083 CG2 ILE A 406 -0.340 21.064 55.719 1.00 28.93 C +ATOM 3084 CD1 ILE A 406 -0.199 23.605 54.027 1.00 29.77 C +ATOM 3085 N ARG A 407 -2.387 20.338 58.660 1.00 23.37 N +ATOM 3086 CA ARG A 407 -2.170 19.332 59.683 1.00 24.47 C +ATOM 3087 C ARG A 407 -1.060 18.388 59.240 1.00 25.88 C +ATOM 3088 O ARG A 407 -1.189 17.698 58.235 1.00 27.00 O +ATOM 3089 CB ARG A 407 -3.468 18.572 59.952 1.00 24.31 C +ATOM 3090 CG ARG A 407 -4.554 19.427 60.569 1.00 25.75 C +ATOM 3091 CD ARG A 407 -4.165 19.969 61.936 1.00 29.14 C +ATOM 3092 NE ARG A 407 -5.246 20.817 62.454 1.00 30.57 N +ATOM 3093 CZ ARG A 407 -5.305 21.326 63.668 1.00 31.27 C +ATOM 3094 NH1 ARG A 407 -4.339 21.095 64.557 1.00 37.23 N +ATOM 3095 NH2 ARG A 407 -6.349 22.082 63.991 1.00 28.44 N +ATOM 3096 N THR A 408 0.022 18.350 60.002 1.00 28.21 N +ATOM 3097 CA THR A 408 1.244 17.646 59.653 1.00 30.98 C +ATOM 3098 C THR A 408 1.034 16.157 59.417 1.00 30.14 C +ATOM 3099 O THR A 408 1.731 15.538 58.607 1.00 29.53 O +ATOM 3100 CB ATHR A 408 2.316 17.838 60.753 0.63 32.27 C +ATOM 3101 CB BTHR A 408 2.263 17.876 60.794 0.37 32.26 C +ATOM 3102 OG1ATHR A 408 3.071 19.013 60.440 0.63 32.73 O +ATOM 3103 OG1BTHR A 408 3.526 17.369 60.390 0.37 34.51 O +ATOM 3104 CG2ATHR A 408 3.275 16.668 60.770 0.63 36.31 C +ATOM 3105 CG2BTHR A 408 1.851 17.099 62.033 0.37 30.30 C +ATOM 3106 N GLY A 409 0.071 15.562 60.113 1.00 28.65 N +ATOM 3107 CA GLY A 409 -0.182 14.132 59.995 1.00 28.19 C +ATOM 3108 C GLY A 409 -1.368 13.776 59.108 1.00 27.15 C +ATOM 3109 O GLY A 409 -1.830 12.636 59.158 1.00 29.93 O +ATOM 3110 N PHE A 410 -1.862 14.717 58.312 1.00 26.40 N +ATOM 3111 CA PHE A 410 -3.086 14.496 57.543 1.00 26.72 C +ATOM 3112 C PHE A 410 -2.914 13.289 56.641 1.00 26.04 C +ATOM 3113 O PHE A 410 -1.843 12.986 56.146 1.00 25.74 O +ATOM 3114 CB PHE A 410 -3.525 15.726 56.729 1.00 25.74 C +ATOM 3115 CG PHE A 410 -2.823 15.942 55.408 1.00 28.38 C +ATOM 3116 CD1 PHE A 410 -1.635 16.655 55.345 1.00 31.36 C +ATOM 3117 CD2 PHE A 410 -3.317 15.460 54.212 1.00 28.25 C +ATOM 3118 CE1 PHE A 410 -0.975 16.876 54.154 1.00 33.13 C +ATOM 3119 CE2 PHE A 410 -2.682 15.675 53.011 1.00 29.22 C +ATOM 3120 CZ PHE A 410 -1.498 16.390 52.967 1.00 32.07 C +ATOM 3121 N GLN A 411 -4.028 12.593 56.393 1.00 26.03 N +ATOM 3122 CA GLN A 411 -3.883 11.413 55.542 1.00 27.83 C +ATOM 3123 C GLN A 411 -4.637 11.639 54.233 1.00 24.16 C +ATOM 3124 O GLN A 411 -5.743 12.155 54.204 1.00 25.34 O +ATOM 3125 CB GLN A 411 -4.357 10.168 56.279 1.00 31.21 C +ATOM 3126 CG GLN A 411 -3.515 9.788 57.499 1.00 35.59 C +ATOM 3127 CD GLN A 411 -3.771 8.371 57.976 1.00 39.22 C +ATOM 3128 OE1 GLN A 411 -4.830 7.790 57.738 1.00 44.02 O +ATOM 3129 NE2 GLN A 411 -2.817 7.752 58.667 1.00 44.21 N +ATOM 3130 N GLY A 412 -3.999 11.237 53.140 1.00 24.56 N +ATOM 3131 CA GLY A 412 -4.667 11.194 51.849 1.00 22.49 C +ATOM 3132 C GLY A 412 -4.645 12.504 51.097 1.00 20.52 C +ATOM 3133 O GLY A 412 -3.962 12.620 50.074 1.00 21.12 O +ATOM 3134 N GLU A 413 -5.411 13.445 51.611 1.00 20.17 N +ATOM 3135 CA GLU A 413 -5.551 14.757 50.987 1.00 19.04 C +ATOM 3136 C GLU A 413 -6.137 15.723 51.999 1.00 17.68 C +ATOM 3137 O GLU A 413 -6.560 15.315 53.086 1.00 18.64 O +ATOM 3138 CB GLU A 413 -6.417 14.670 49.734 1.00 21.27 C +ATOM 3139 CG GLU A 413 -7.811 14.138 50.020 1.00 21.50 C +ATOM 3140 CD GLU A 413 -8.566 13.735 48.769 1.00 21.72 C +ATOM 3141 OE1 GLU A 413 -8.806 14.634 47.929 1.00 20.10 O +ATOM 3142 OE2 GLU A 413 -8.866 12.531 48.620 1.00 19.90 O +ATOM 3143 N SER A 414 -6.139 16.999 51.634 1.00 18.36 N +ATOM 3144 CA SER A 414 -6.577 18.107 52.460 1.00 19.62 C +ATOM 3145 C SER A 414 -7.119 19.215 51.564 1.00 19.69 C +ATOM 3146 O SER A 414 -6.555 19.551 50.516 1.00 28.53 O +ATOM 3147 CB ASER A 414 -5.455 18.626 53.358 0.43 20.25 C +ATOM 3148 CB BSER A 414 -5.378 18.600 53.267 0.57 20.27 C +ATOM 3149 OG ASER A 414 -4.410 19.187 52.589 0.43 21.33 O +ATOM 3150 OG BSER A 414 -5.612 19.309 54.452 0.57 22.54 O +ATOM 3151 N GLY A 415 -8.224 19.791 51.962 1.00 17.16 N +ATOM 3152 CA GLY A 415 -8.824 20.897 51.261 1.00 18.09 C +ATOM 3153 C GLY A 415 -8.863 22.150 52.095 1.00 17.88 C +ATOM 3154 O GLY A 415 -8.991 22.130 53.320 1.00 19.59 O +ATOM 3155 N HIS A 416 -8.626 23.288 51.462 1.00 15.48 N +ATOM 3156 CA HIS A 416 -8.492 24.606 52.075 1.00 16.48 C +ATOM 3157 C HIS A 416 -9.289 25.647 51.312 1.00 16.42 C +ATOM 3158 O HIS A 416 -9.073 25.844 50.108 1.00 19.39 O +ATOM 3159 CB HIS A 416 -7.004 25.021 52.137 1.00 18.13 C +ATOM 3160 CG HIS A 416 -6.224 23.929 52.794 1.00 18.95 C +ATOM 3161 ND1 HIS A 416 -6.063 23.879 54.152 1.00 18.37 N +ATOM 3162 CD2 HIS A 416 -5.654 22.811 52.285 1.00 18.48 C +ATOM 3163 CE1 HIS A 416 -5.382 22.789 54.447 1.00 20.19 C +ATOM 3164 NE2 HIS A 416 -5.110 22.122 53.351 1.00 22.24 N +ATOM 3165 N ASP A 417 -10.214 26.347 51.946 1.00 17.33 N +ATOM 3166 CA ASP A 417 -11.051 27.336 51.306 1.00 16.65 C +ATOM 3167 C ASP A 417 -10.649 28.760 51.675 1.00 18.99 C +ATOM 3168 O ASP A 417 -10.454 29.054 52.863 1.00 16.13 O +ATOM 3169 CB ASP A 417 -12.532 27.148 51.675 1.00 16.71 C +ATOM 3170 CG ASP A 417 -13.038 25.814 51.145 1.00 18.08 C +ATOM 3171 OD1 ASP A 417 -12.827 25.544 49.949 1.00 17.53 O +ATOM 3172 OD2 ASP A 417 -13.632 25.017 51.886 1.00 19.70 O +ATOM 3173 N ILE A 418 -10.584 29.593 50.644 1.00 17.96 N +ATOM 3174 CA ILE A 418 -10.246 31.011 50.792 1.00 17.26 C +ATOM 3175 C ILE A 418 -11.294 31.864 50.114 1.00 16.79 C +ATOM 3176 O ILE A 418 -11.588 31.690 48.940 1.00 17.79 O +ATOM 3177 CB ILE A 418 -8.853 31.300 50.207 1.00 17.64 C +ATOM 3178 CG1 ILE A 418 -7.738 30.687 51.064 1.00 17.41 C +ATOM 3179 CG2 ILE A 418 -8.633 32.790 49.991 1.00 18.90 C +ATOM 3180 CD1 ILE A 418 -6.407 30.549 50.372 1.00 25.91 C +ATOM 3181 N LYS A 419 -11.870 32.812 50.827 1.00 16.29 N +ATOM 3182 CA LYS A 419 -12.862 33.706 50.273 1.00 16.39 C +ATOM 3183 C LYS A 419 -12.153 34.889 49.606 1.00 16.96 C +ATOM 3184 O LYS A 419 -11.212 35.450 50.155 1.00 17.17 O +ATOM 3185 CB LYS A 419 -13.853 34.236 51.318 1.00 18.07 C +ATOM 3186 CG LYS A 419 -14.973 35.080 50.746 1.00 19.98 C +ATOM 3187 CD LYS A 419 -16.105 35.340 51.721 1.00 23.13 C +ATOM 3188 CE LYS A 419 -16.846 34.053 52.078 1.00 26.68 C +ATOM 3189 NZ LYS A 419 -17.972 34.291 53.020 1.00 25.95 N +ATOM 3190 N ILE A 420 -12.624 35.244 48.415 1.00 16.63 N +ATOM 3191 CA ILE A 420 -12.043 36.361 47.680 1.00 17.04 C +ATOM 3192 C ILE A 420 -13.147 37.299 47.236 1.00 19.18 C +ATOM 3193 O ILE A 420 -14.115 36.906 46.559 1.00 19.81 O +ATOM 3194 CB ILE A 420 -11.225 35.849 46.477 1.00 17.21 C +ATOM 3195 CG1 ILE A 420 -10.150 34.809 46.811 1.00 18.55 C +ATOM 3196 CG2 ILE A 420 -10.637 37.023 45.691 1.00 17.78 C +ATOM 3197 CD1 ILE A 420 -9.571 34.133 45.583 1.00 21.05 C +ATOM 3198 N THR A 421 -13.060 38.564 47.632 1.00 17.82 N +ATOM 3199 CA THR A 421 -14.017 39.580 47.225 1.00 17.68 C +ATOM 3200 C THR A 421 -13.235 40.815 46.742 1.00 18.25 C +ATOM 3201 O THR A 421 -12.023 40.885 46.863 1.00 17.59 O +ATOM 3202 CB THR A 421 -15.017 39.999 48.322 1.00 19.85 C +ATOM 3203 OG1 THR A 421 -14.322 40.663 49.395 1.00 23.83 O +ATOM 3204 CG2 THR A 421 -15.714 38.813 48.976 1.00 22.45 C +ATOM 3205 N ALA A 422 -13.981 41.764 46.175 1.00 20.39 N +ATOM 3206 CA ALA A 422 -13.407 43.077 45.855 1.00 21.38 C +ATOM 3207 C ALA A 422 -14.509 44.069 46.184 1.00 22.43 C +ATOM 3208 O ALA A 422 -15.687 43.739 46.251 1.00 22.14 O +ATOM 3209 CB ALA A 422 -12.865 43.195 44.461 1.00 19.17 C +ATOM 3210 N GLU A 423 -14.076 45.288 46.446 1.00 22.07 N +ATOM 3211 CA GLU A 423 -14.922 46.267 47.102 1.00 23.01 C +ATOM 3212 C GLU A 423 -16.031 46.832 46.235 1.00 21.02 C +ATOM 3213 O GLU A 423 -17.063 47.226 46.776 1.00 25.10 O +ATOM 3214 CB GLU A 423 -14.079 47.458 47.591 1.00 24.52 C +ATOM 3215 CG GLU A 423 -13.320 48.191 46.518 1.00 23.83 C +ATOM 3216 CD GLU A 423 -12.298 49.194 47.008 1.00 27.78 C +ATOM 3217 OE1 GLU A 423 -12.087 49.342 48.222 1.00 32.63 O +ATOM 3218 OE2 GLU A 423 -11.723 49.857 46.120 1.00 30.74 O +ATOM 3219 N ASN A 424 -15.846 46.920 44.924 1.00 20.52 N +ATOM 3220 CA ASN A 424 -16.837 47.624 44.128 1.00 20.62 C +ATOM 3221 C ASN A 424 -16.835 47.120 42.697 1.00 20.58 C +ATOM 3222 O ASN A 424 -17.564 46.151 42.393 1.00 21.63 O +ATOM 3223 CB ASN A 424 -16.571 49.131 44.258 1.00 20.92 C +ATOM 3224 CG ASN A 424 -17.502 49.929 43.360 1.00 23.32 C +ATOM 3225 OD1 ASN A 424 -18.481 49.422 42.816 1.00 23.98 O +ATOM 3226 ND2 ASN A 424 -17.206 51.208 43.167 1.00 27.46 N +ATOM 3227 N THR A 425 -16.106 47.724 41.776 1.00 18.80 N +ATOM 3228 CA THR A 425 -16.156 47.293 40.383 1.00 18.80 C +ATOM 3229 C THR A 425 -15.494 45.939 40.150 1.00 20.23 C +ATOM 3230 O THR A 425 -14.750 45.462 41.002 1.00 18.67 O +ATOM 3231 CB THR A 425 -15.482 48.343 39.468 1.00 18.58 C +ATOM 3232 OG1 THR A 425 -14.088 48.423 39.789 1.00 25.35 O +ATOM 3233 CG2 THR A 425 -16.103 49.723 39.665 1.00 20.02 C +ATOM 3234 N PRO A 426 -15.761 45.264 39.030 1.00 18.99 N +ATOM 3235 CA PRO A 426 -15.171 43.949 38.811 1.00 19.88 C +ATOM 3236 C PRO A 426 -13.659 43.982 38.609 1.00 19.05 C +ATOM 3237 O PRO A 426 -13.190 44.649 37.682 1.00 20.43 O +ATOM 3238 CB PRO A 426 -15.803 43.440 37.495 1.00 21.92 C +ATOM 3239 CG PRO A 426 -16.997 44.307 37.304 1.00 22.16 C +ATOM 3240 CD PRO A 426 -16.655 45.648 37.926 1.00 20.04 C +ATOM 3241 N LEU A 427 -12.979 43.231 39.461 1.00 17.17 N +ATOM 3242 CA LEU A 427 -11.535 43.099 39.451 1.00 17.94 C +ATOM 3243 C LEU A 427 -11.124 41.653 39.227 1.00 16.14 C +ATOM 3244 O LEU A 427 -11.706 40.740 39.809 1.00 17.75 O +ATOM 3245 CB LEU A 427 -10.947 43.611 40.764 1.00 18.37 C +ATOM 3246 CG LEU A 427 -11.044 45.104 41.038 1.00 19.23 C +ATOM 3247 CD1 LEU A 427 -10.243 45.473 42.275 1.00 22.74 C +ATOM 3248 CD2 LEU A 427 -10.539 45.935 39.864 1.00 19.27 C +ATOM 3249 N PRO A 428 -10.170 41.412 38.352 1.00 14.97 N +ATOM 3250 CA PRO A 428 -9.820 40.052 37.945 1.00 15.53 C +ATOM 3251 C PRO A 428 -8.917 39.351 38.939 1.00 16.39 C +ATOM 3252 O PRO A 428 -8.139 39.946 39.690 1.00 16.37 O +ATOM 3253 CB PRO A 428 -9.044 40.321 36.656 1.00 15.81 C +ATOM 3254 CG PRO A 428 -8.350 41.616 36.925 1.00 15.92 C +ATOM 3255 CD PRO A 428 -9.359 42.434 37.654 1.00 14.73 C +ATOM 3256 N ILE A 429 -9.005 38.032 38.931 1.00 15.65 N +ATOM 3257 CA ILE A 429 -8.046 37.175 39.596 1.00 17.08 C +ATOM 3258 C ILE A 429 -7.286 36.426 38.517 1.00 19.10 C +ATOM 3259 O ILE A 429 -7.860 35.618 37.784 1.00 17.03 O +ATOM 3260 CB ILE A 429 -8.705 36.191 40.584 1.00 16.08 C +ATOM 3261 CG1 ILE A 429 -9.517 36.894 41.674 1.00 17.73 C +ATOM 3262 CG2 ILE A 429 -7.670 35.238 41.154 1.00 16.35 C +ATOM 3263 CD1 ILE A 429 -8.724 37.765 42.614 1.00 18.99 C +ATOM 3264 N ALA A 430 -6.015 36.788 38.356 1.00 15.98 N +ATOM 3265 CA ALA A 430 -5.197 36.185 37.326 1.00 14.89 C +ATOM 3266 C ALA A 430 -4.763 34.771 37.618 1.00 17.20 C +ATOM 3267 O ALA A 430 -4.545 33.990 36.683 1.00 19.40 O +ATOM 3268 CB ALA A 430 -3.936 37.050 37.159 1.00 15.85 C +ATOM 3269 N GLY A 431 -4.575 34.425 38.884 1.00 16.46 N +ATOM 3270 CA GLY A 431 -4.078 33.137 39.281 1.00 17.28 C +ATOM 3271 C GLY A 431 -3.735 33.097 40.756 1.00 16.69 C +ATOM 3272 O GLY A 431 -3.929 34.074 41.483 1.00 18.35 O +ATOM 3273 N VAL A 432 -3.288 31.943 41.175 1.00 14.26 N +ATOM 3274 CA VAL A 432 -2.952 31.651 42.569 1.00 16.45 C +ATOM 3275 C VAL A 432 -1.641 30.882 42.614 1.00 16.75 C +ATOM 3276 O VAL A 432 -1.245 30.172 41.705 1.00 16.75 O +ATOM 3277 CB VAL A 432 -4.058 30.909 43.331 1.00 18.08 C +ATOM 3278 CG1 VAL A 432 -5.357 31.715 43.260 1.00 17.49 C +ATOM 3279 CG2 VAL A 432 -4.241 29.498 42.784 1.00 18.27 C +ATOM 3280 N LEU A 433 -0.955 31.101 43.727 1.00 16.64 N +ATOM 3281 CA LEU A 433 0.373 30.593 44.016 1.00 15.88 C +ATOM 3282 C LEU A 433 0.248 29.679 45.228 1.00 16.86 C +ATOM 3283 O LEU A 433 -0.066 30.128 46.330 1.00 18.75 O +ATOM 3284 CB LEU A 433 1.321 31.765 44.250 1.00 16.63 C +ATOM 3285 CG LEU A 433 1.444 32.720 43.063 1.00 20.34 C +ATOM 3286 CD1 LEU A 433 2.072 34.045 43.497 1.00 22.05 C +ATOM 3287 CD2 LEU A 433 2.235 32.096 41.928 1.00 20.10 C +ATOM 3288 N LEU A 434 0.486 28.405 44.993 1.00 18.04 N +ATOM 3289 CA LEU A 434 0.281 27.391 46.015 1.00 18.05 C +ATOM 3290 C LEU A 434 1.555 26.715 46.456 1.00 19.50 C +ATOM 3291 O LEU A 434 2.364 26.311 45.622 1.00 19.18 O +ATOM 3292 CB LEU A 434 -0.687 26.346 45.422 1.00 15.53 C +ATOM 3293 CG LEU A 434 -1.987 26.955 44.870 1.00 18.70 C +ATOM 3294 CD1 LEU A 434 -2.887 25.853 44.345 1.00 19.40 C +ATOM 3295 CD2 LEU A 434 -2.719 27.767 45.918 1.00 20.58 C +ATOM 3296 N PRO A 435 1.763 26.525 47.752 1.00 20.78 N +ATOM 3297 CA PRO A 435 3.003 25.898 48.230 1.00 21.84 C +ATOM 3298 C PRO A 435 3.006 24.393 48.087 1.00 22.87 C +ATOM 3299 O PRO A 435 1.982 23.734 48.267 1.00 21.33 O +ATOM 3300 CB PRO A 435 2.973 26.232 49.721 1.00 23.77 C +ATOM 3301 CG PRO A 435 1.529 26.312 50.071 1.00 24.35 C +ATOM 3302 CD PRO A 435 0.837 26.865 48.853 1.00 22.05 C +ATOM 3303 N ATHR A 436 4.170 23.807 47.797 0.50 22.35 N +ATOM 3304 N BTHR A 436 4.173 23.834 47.764 0.50 22.36 N +ATOM 3305 CA ATHR A 436 4.279 22.356 47.743 0.50 22.18 C +ATOM 3306 CA BTHR A 436 4.280 22.390 47.681 0.50 22.15 C +ATOM 3307 C ATHR A 436 5.410 21.847 48.636 0.50 22.88 C +ATOM 3308 C BTHR A 436 5.562 21.902 48.358 0.50 22.97 C +ATOM 3309 O ATHR A 436 6.184 22.633 49.191 0.50 22.34 O +ATOM 3310 O BTHR A 436 6.468 22.686 48.624 0.50 25.28 O +ATOM 3311 CB ATHR A 436 4.521 21.873 46.302 0.50 22.50 C +ATOM 3312 CB BTHR A 436 4.293 21.895 46.225 0.50 22.50 C +ATOM 3313 OG1ATHR A 436 5.671 22.566 45.787 0.50 22.03 O +ATOM 3314 OG1BTHR A 436 5.475 22.403 45.586 0.50 23.61 O +ATOM 3315 CG2ATHR A 436 3.364 22.224 45.382 0.50 22.20 C +ATOM 3316 CG2BTHR A 436 3.117 22.434 45.435 0.50 23.04 C +ATOM 3317 N AILE A 437 5.525 20.537 48.793 0.50 23.90 N +ATOM 3318 N BILE A 437 5.595 20.614 48.613 0.50 24.00 N +ATOM 3319 CA AILE A 437 6.682 19.903 49.409 0.50 24.98 C +ATOM 3320 CA BILE A 437 6.746 19.780 48.855 0.50 25.56 C +ATOM 3321 C AILE A 437 7.128 18.728 48.522 0.50 26.89 C +ATOM 3322 C BILE A 437 6.734 18.694 47.772 0.50 28.41 C +ATOM 3323 O AILE A 437 6.309 17.847 48.257 0.50 27.55 O +ATOM 3324 O BILE A 437 6.198 17.617 48.058 0.50 26.21 O +ATOM 3325 CB AILE A 437 6.442 19.383 50.834 0.50 25.02 C +ATOM 3326 CB BILE A 437 6.759 19.099 50.228 0.50 24.85 C +ATOM 3327 CG1AILE A 437 5.963 20.464 51.808 0.50 24.96 C +ATOM 3328 CG1BILE A 437 6.461 20.026 51.411 0.50 24.97 C +ATOM 3329 CG2AILE A 437 7.682 18.691 51.381 0.50 20.82 C +ATOM 3330 CG2BILE A 437 8.087 18.390 50.443 0.50 21.66 C +ATOM 3331 CD1AILE A 437 5.699 19.952 53.208 0.50 25.42 C +ATOM 3332 CD1BILE A 437 6.067 19.278 52.670 0.50 24.61 C +ATOM 3333 N APRO A 438 8.381 18.794 48.101 0.50 29.46 N +ATOM 3334 N BPRO A 438 7.250 18.977 46.584 0.50 31.06 N +ATOM 3335 CA APRO A 438 9.030 17.830 47.211 0.50 32.22 C +ATOM 3336 CA BPRO A 438 7.123 18.108 45.404 0.50 33.31 C +ATOM 3337 C APRO A 438 8.558 16.402 47.437 0.50 34.64 C +ATOM 3338 C BPRO A 438 7.182 16.607 45.650 0.50 35.51 C +ATOM 3339 O APRO A 438 8.991 15.738 48.373 0.50 32.39 O +ATOM 3340 O BPRO A 438 6.608 15.860 44.846 0.50 35.27 O +ATOM 3341 CB APRO A 438 10.508 17.978 47.610 0.50 32.09 C +ATOM 3342 CB BPRO A 438 8.303 18.578 44.534 0.50 33.40 C +ATOM 3343 CG APRO A 438 10.632 19.449 47.860 0.50 31.78 C +ATOM 3344 CG BPRO A 438 8.295 20.056 44.777 0.50 32.87 C +ATOM 3345 CD APRO A 438 9.325 19.880 48.458 0.50 29.80 C +ATOM 3346 CD BPRO A 438 7.996 20.214 46.246 0.50 31.59 C +ATOM 3347 N AGLY A 439 7.670 16.005 46.537 0.50 36.63 N +ATOM 3348 N BGLY A 439 7.800 16.110 46.717 0.50 36.56 N +ATOM 3349 CA AGLY A 439 6.935 14.762 46.590 0.50 36.65 C +ATOM 3350 CA BGLY A 439 7.769 14.715 47.090 0.50 36.41 C +ATOM 3351 C AGLY A 439 5.789 14.838 47.592 0.50 36.61 C +ATOM 3352 C BGLY A 439 6.610 14.229 47.935 0.50 36.35 C +ATOM 3353 O AGLY A 439 4.634 14.947 47.185 0.50 45.29 O +ATOM 3354 O BGLY A 439 6.092 13.137 47.673 0.50 35.24 O +ATOM 3355 N ALYS A 440 6.125 14.792 48.870 0.50 35.61 N +ATOM 3356 N BLYS A 440 6.175 14.957 48.947 0.50 35.62 N +ATOM 3357 CA LYS A 440 5.201 14.609 49.967 1.00 33.98 C +ATOM 3358 C LYS A 440 3.893 15.373 49.847 1.00 30.50 C +ATOM 3359 O LYS A 440 2.816 14.860 50.184 1.00 30.42 O +ATOM 3360 CB LYS A 440 5.858 14.958 51.322 1.00 35.81 C +ATOM 3361 N LEU A 441 3.913 16.615 49.387 1.00 25.57 N +ATOM 3362 CA LEU A 441 2.715 17.432 49.343 1.00 23.45 C +ATOM 3363 C LEU A 441 2.565 18.100 47.977 1.00 23.47 C +ATOM 3364 O LEU A 441 3.355 18.970 47.624 1.00 22.69 O +ATOM 3365 CB LEU A 441 2.733 18.501 50.423 1.00 24.84 C +ATOM 3366 CG LEU A 441 1.552 19.473 50.406 1.00 27.36 C +ATOM 3367 CD1 LEU A 441 0.359 18.826 51.096 1.00 30.72 C +ATOM 3368 CD2 LEU A 441 1.931 20.795 51.042 1.00 34.58 C +ATOM 3369 N ASP A 442 1.546 17.678 47.228 1.00 21.15 N +ATOM 3370 CA ASP A 442 1.363 18.214 45.882 1.00 20.87 C +ATOM 3371 C ASP A 442 -0.027 18.803 45.693 1.00 19.57 C +ATOM 3372 O ASP A 442 -0.930 18.440 46.424 1.00 19.24 O +ATOM 3373 CB ASP A 442 1.568 17.144 44.806 1.00 26.69 C +ATOM 3374 CG ASP A 442 2.904 16.442 44.960 1.00 31.47 C +ATOM 3375 OD1 ASP A 442 3.913 17.131 45.201 1.00 39.66 O +ATOM 3376 OD2 ASP A 442 2.930 15.198 44.854 1.00 36.31 O +ATOM 3377 N VAL A 443 -0.162 19.689 44.730 1.00 18.49 N +ATOM 3378 CA VAL A 443 -1.470 20.249 44.390 1.00 19.56 C +ATOM 3379 C VAL A 443 -2.221 19.231 43.546 1.00 16.86 C +ATOM 3380 O VAL A 443 -1.702 18.797 42.519 1.00 19.15 O +ATOM 3381 CB VAL A 443 -1.332 21.586 43.650 1.00 19.29 C +ATOM 3382 CG1 VAL A 443 -2.672 22.047 43.107 1.00 16.86 C +ATOM 3383 CG2 VAL A 443 -0.708 22.607 44.601 1.00 22.24 C +ATOM 3384 N ASN A 444 -3.428 18.881 43.992 1.00 16.56 N +ATOM 3385 CA ASN A 444 -4.335 18.091 43.140 1.00 16.82 C +ATOM 3386 C ASN A 444 -4.897 19.068 42.117 1.00 16.67 C +ATOM 3387 O ASN A 444 -5.779 19.896 42.396 1.00 15.25 O +ATOM 3388 CB ASN A 444 -5.423 17.413 43.954 1.00 14.97 C +ATOM 3389 CG ASN A 444 -6.370 16.609 43.077 1.00 17.12 C +ATOM 3390 OD1 ASN A 444 -6.691 16.959 41.931 1.00 16.72 O +ATOM 3391 ND2 ASN A 444 -6.895 15.494 43.573 1.00 19.50 N +ATOM 3392 N LYS A 445 -4.356 18.948 40.898 1.00 18.73 N +ATOM 3393 CA LYS A 445 -4.747 19.917 39.888 1.00 18.56 C +ATOM 3394 C LYS A 445 -6.162 19.741 39.350 1.00 18.53 C +ATOM 3395 O LYS A 445 -6.623 20.602 38.596 1.00 20.03 O +ATOM 3396 CB LYS A 445 -3.802 19.807 38.695 1.00 22.70 C +ATOM 3397 CG LYS A 445 -2.335 19.954 39.008 1.00 26.25 C +ATOM 3398 CD ALYS A 445 -1.540 20.193 37.724 0.39 27.52 C +ATOM 3399 CD BLYS A 445 -1.539 20.083 37.713 0.35 27.47 C +ATOM 3400 CD CLYS A 445 -1.473 19.251 37.962 0.26 27.10 C +ATOM 3401 CE ALYS A 445 -0.051 20.259 38.049 0.39 27.69 C +ATOM 3402 CE BLYS A 445 -0.100 20.481 37.990 0.35 27.67 C +ATOM 3403 CE CLYS A 445 -0.003 19.676 38.186 0.26 27.60 C +ATOM 3404 NZ ALYS A 445 0.782 19.873 36.878 0.39 28.38 N +ATOM 3405 NZ BLYS A 445 0.742 19.311 38.380 0.35 27.22 N +ATOM 3406 NZ CLYS A 445 0.062 20.543 39.406 0.26 28.57 N +ATOM 3407 N SER A 446 -6.810 18.632 39.700 1.00 17.05 N +ATOM 3408 CA SER A 446 -8.178 18.395 39.258 1.00 15.40 C +ATOM 3409 C SER A 446 -9.183 18.933 40.262 1.00 15.21 C +ATOM 3410 O SER A 446 -10.262 19.406 39.911 1.00 16.43 O +ATOM 3411 CB SER A 446 -8.412 16.898 39.091 1.00 16.94 C +ATOM 3412 OG SER A 446 -7.754 16.351 37.956 1.00 19.45 O +ATOM 3413 N LYS A 447 -8.855 18.821 41.549 1.00 15.64 N +ATOM 3414 CA LYS A 447 -9.818 19.233 42.583 1.00 16.10 C +ATOM 3415 C LYS A 447 -9.616 20.655 43.068 1.00 15.13 C +ATOM 3416 O LYS A 447 -10.477 21.198 43.762 1.00 16.59 O +ATOM 3417 CB LYS A 447 -9.730 18.234 43.763 1.00 16.60 C +ATOM 3418 CG LYS A 447 -10.157 16.829 43.362 1.00 17.17 C +ATOM 3419 CD LYS A 447 -10.111 15.830 44.500 1.00 21.17 C +ATOM 3420 CE LYS A 447 -11.168 16.117 45.555 1.00 20.62 C +ATOM 3421 NZ LYS A 447 -11.192 14.978 46.527 1.00 19.15 N +ATOM 3422 N THR A 448 -8.483 21.276 42.723 1.00 14.39 N +ATOM 3423 CA THR A 448 -8.270 22.692 42.980 1.00 15.56 C +ATOM 3424 C THR A 448 -9.053 23.556 41.995 1.00 17.79 C +ATOM 3425 O THR A 448 -8.976 23.322 40.795 1.00 17.92 O +ATOM 3426 CB THR A 448 -6.774 22.998 42.883 1.00 14.01 C +ATOM 3427 OG1 THR A 448 -6.125 22.318 43.963 1.00 15.68 O +ATOM 3428 CG2 THR A 448 -6.476 24.469 43.052 1.00 15.02 C +ATOM 3429 N HIS A 449 -9.836 24.522 42.470 1.00 15.98 N +ATOM 3430 CA HIS A 449 -10.684 25.329 41.590 1.00 15.33 C +ATOM 3431 C HIS A 449 -11.079 26.650 42.223 1.00 15.92 C +ATOM 3432 O HIS A 449 -10.804 26.849 43.408 1.00 16.22 O +ATOM 3433 CB HIS A 449 -11.945 24.531 41.237 1.00 16.33 C +ATOM 3434 CG HIS A 449 -12.858 24.255 42.394 1.00 14.83 C +ATOM 3435 ND1 HIS A 449 -12.825 23.035 43.022 1.00 16.85 N +ATOM 3436 CD2 HIS A 449 -13.785 24.958 43.051 1.00 16.29 C +ATOM 3437 CE1 HIS A 449 -13.690 22.998 44.000 1.00 16.42 C +ATOM 3438 NE2 HIS A 449 -14.300 24.153 44.046 1.00 16.64 N +ATOM 3439 N ILE A 450 -11.720 27.548 41.476 1.00 14.66 N +ATOM 3440 CA ILE A 450 -12.313 28.756 41.999 1.00 16.09 C +ATOM 3441 C ILE A 450 -13.800 28.771 41.640 1.00 15.53 C +ATOM 3442 O ILE A 450 -14.120 28.540 40.476 1.00 16.55 O +ATOM 3443 CB ILE A 450 -11.618 30.029 41.479 1.00 18.96 C +ATOM 3444 CG1 ILE A 450 -10.135 30.103 41.821 1.00 20.49 C +ATOM 3445 CG2 ILE A 450 -12.321 31.265 41.997 1.00 20.15 C +ATOM 3446 CD1 ILE A 450 -9.398 31.303 41.254 1.00 21.20 C +ATOM 3447 N SER A 451 -14.650 28.982 42.621 1.00 15.17 N +ATOM 3448 CA SER A 451 -16.095 29.068 42.406 1.00 15.00 C +ATOM 3449 C SER A 451 -16.556 30.499 42.567 1.00 16.64 C +ATOM 3450 O SER A 451 -16.355 31.094 43.643 1.00 18.12 O +ATOM 3451 CB ASER A 451 -16.822 28.145 43.394 0.47 15.69 C +ATOM 3452 CB BSER A 451 -16.829 28.095 43.348 0.53 15.67 C +ATOM 3453 OG ASER A 451 -18.221 28.317 43.384 0.47 17.31 O +ATOM 3454 OG BSER A 451 -16.259 26.805 43.131 0.53 15.72 O +ATOM 3455 N VAL A 452 -17.157 31.052 41.525 1.00 14.44 N +ATOM 3456 CA VAL A 452 -17.583 32.437 41.521 1.00 12.80 C +ATOM 3457 C VAL A 452 -19.104 32.496 41.557 1.00 16.76 C +ATOM 3458 O VAL A 452 -19.744 32.107 40.574 1.00 15.43 O +ATOM 3459 CB VAL A 452 -17.027 33.194 40.290 1.00 14.14 C +ATOM 3460 CG1 VAL A 452 -17.443 34.653 40.357 1.00 16.25 C +ATOM 3461 CG2 VAL A 452 -15.519 33.068 40.231 1.00 15.61 C +ATOM 3462 N ASN A 453 -19.698 32.909 42.663 1.00 16.51 N +ATOM 3463 CA ASN A 453 -21.122 32.825 42.888 1.00 15.90 C +ATOM 3464 C ASN A 453 -21.695 31.459 42.462 1.00 15.57 C +ATOM 3465 O ASN A 453 -22.759 31.435 41.858 1.00 17.28 O +ATOM 3466 CB ASN A 453 -21.871 33.926 42.124 1.00 17.06 C +ATOM 3467 CG ASN A 453 -21.701 35.303 42.757 1.00 16.01 C +ATOM 3468 OD1 ASN A 453 -21.061 35.435 43.815 1.00 18.21 O +ATOM 3469 ND2 ASN A 453 -22.247 36.326 42.117 1.00 17.04 N +ATOM 3470 N GLY A 454 -20.949 30.430 42.808 1.00 15.21 N +ATOM 3471 CA GLY A 454 -21.240 29.048 42.533 1.00 16.13 C +ATOM 3472 C GLY A 454 -20.879 28.489 41.194 1.00 17.62 C +ATOM 3473 O GLY A 454 -21.049 27.276 41.018 1.00 16.39 O +ATOM 3474 N ARG A 455 -20.378 29.295 40.266 1.00 15.45 N +ATOM 3475 CA ARG A 455 -19.814 28.788 39.014 1.00 14.19 C +ATOM 3476 C ARG A 455 -18.427 28.232 39.270 1.00 14.74 C +ATOM 3477 O ARG A 455 -17.516 28.970 39.663 1.00 15.74 O +ATOM 3478 CB ARG A 455 -19.723 29.868 37.938 1.00 15.94 C +ATOM 3479 CG ARG A 455 -19.162 29.325 36.639 1.00 19.01 C +ATOM 3480 CD ARG A 455 -18.854 30.391 35.598 1.00 21.87 C +ATOM 3481 NE ARG A 455 -18.564 29.774 34.311 1.00 21.01 N +ATOM 3482 CZ ARG A 455 -18.345 30.449 33.183 1.00 21.66 C +ATOM 3483 NH1 ARG A 455 -18.379 31.768 33.150 1.00 21.89 N +ATOM 3484 NH2 ARG A 455 -18.095 29.754 32.084 1.00 22.52 N +ATOM 3485 N LYS A 456 -18.216 26.947 39.027 1.00 15.16 N +ATOM 3486 CA LYS A 456 -16.970 26.276 39.362 1.00 15.79 C +ATOM 3487 C LYS A 456 -16.065 26.389 38.146 1.00 17.06 C +ATOM 3488 O LYS A 456 -16.413 25.965 37.050 1.00 16.73 O +ATOM 3489 CB LYS A 456 -17.188 24.803 39.723 1.00 16.85 C +ATOM 3490 CG LYS A 456 -15.911 24.082 40.094 1.00 19.50 C +ATOM 3491 CD LYS A 456 -16.154 23.003 41.158 1.00 23.16 C +ATOM 3492 CE LYS A 456 -17.007 21.909 40.566 1.00 23.10 C +ATOM 3493 NZ LYS A 456 -16.957 20.681 41.392 1.00 16.93 N +ATOM 3494 N ILE A 457 -14.907 27.007 38.363 1.00 15.48 N +ATOM 3495 CA ILE A 457 -13.905 27.197 37.335 1.00 13.97 C +ATOM 3496 C ILE A 457 -12.656 26.366 37.606 1.00 15.56 C +ATOM 3497 O ILE A 457 -12.018 26.429 38.653 1.00 15.26 O +ATOM 3498 CB ILE A 457 -13.603 28.696 37.188 1.00 16.08 C +ATOM 3499 CG1 ILE A 457 -14.874 29.504 36.875 1.00 19.03 C +ATOM 3500 CG2 ILE A 457 -12.506 28.907 36.172 1.00 18.53 C +ATOM 3501 CD1 ILE A 457 -14.731 30.995 37.112 1.00 19.53 C +ATOM 3502 N ARG A 458 -12.336 25.518 36.639 1.00 15.11 N +ATOM 3503 CA ARG A 458 -11.175 24.651 36.707 1.00 16.64 C +ATOM 3504 C ARG A 458 -9.907 25.458 36.492 1.00 15.77 C +ATOM 3505 O ARG A 458 -9.974 26.606 36.061 1.00 17.72 O +ATOM 3506 CB ARG A 458 -11.279 23.529 35.662 1.00 18.30 C +ATOM 3507 CG ARG A 458 -12.384 22.538 35.979 1.00 20.64 C +ATOM 3508 CD ARG A 458 -12.107 21.731 37.261 1.00 22.22 C +ATOM 3509 NE ARG A 458 -10.947 20.922 36.953 1.00 22.35 N +ATOM 3510 CZ ARG A 458 -10.880 19.639 36.670 1.00 22.91 C +ATOM 3511 NH1 ARG A 458 -11.943 18.857 36.656 1.00 22.09 N +ATOM 3512 NH2 ARG A 458 -9.689 19.160 36.400 1.00 21.27 N +ATOM 3513 N MET A 459 -8.779 24.831 36.804 1.00 15.54 N +ATOM 3514 CA MET A 459 -7.516 25.547 36.726 1.00 16.87 C +ATOM 3515 C MET A 459 -6.496 24.826 35.861 1.00 19.44 C +ATOM 3516 O MET A 459 -6.536 23.612 35.699 1.00 22.23 O +ATOM 3517 CB AMET A 459 -6.973 25.775 38.145 0.60 17.84 C +ATOM 3518 CB BMET A 459 -6.875 25.649 38.118 0.40 17.88 C +ATOM 3519 CG AMET A 459 -8.056 26.269 39.089 0.60 18.90 C +ATOM 3520 CG BMET A 459 -7.818 26.080 39.222 0.40 18.29 C +ATOM 3521 SD AMET A 459 -7.487 27.350 40.393 0.60 21.55 S +ATOM 3522 SD BMET A 459 -8.214 27.828 39.080 0.40 21.79 S +ATOM 3523 CE AMET A 459 -7.157 28.838 39.449 0.60 18.55 C +ATOM 3524 CE BMET A 459 -6.768 28.554 39.841 0.40 19.87 C +ATOM 3525 N ARG A 460 -5.541 25.613 35.349 1.00 19.57 N +ATOM 3526 CA ARG A 460 -4.381 25.053 34.685 1.00 19.87 C +ATOM 3527 C ARG A 460 -3.153 25.430 35.549 1.00 17.67 C +ATOM 3528 O ARG A 460 -2.979 26.625 35.772 1.00 21.17 O +ATOM 3529 CB ARG A 460 -4.215 25.554 33.269 1.00 25.26 C +ATOM 3530 CG ARG A 460 -3.925 27.042 33.156 1.00 35.64 C +ATOM 3531 N CYS A 461 -2.444 24.440 36.022 1.00 17.50 N +ATOM 3532 CA CYS A 461 -1.405 24.605 37.020 1.00 18.82 C +ATOM 3533 C CYS A 461 -0.041 24.143 36.517 1.00 22.35 C +ATOM 3534 O CYS A 461 0.111 23.102 35.873 1.00 26.73 O +ATOM 3535 CB CYS A 461 -1.725 23.835 38.303 1.00 17.71 C +ATOM 3536 SG CYS A 461 -3.345 24.155 39.026 1.00 20.73 S +ATOM 3537 N ARG A 462 0.969 24.945 36.865 1.00 20.66 N +ATOM 3538 CA ARG A 462 2.333 24.518 36.552 1.00 20.59 C +ATOM 3539 C ARG A 462 3.294 24.916 37.665 1.00 19.59 C +ATOM 3540 O ARG A 462 3.074 25.912 38.341 1.00 22.60 O +ATOM 3541 CB ARG A 462 2.813 25.094 35.219 1.00 22.55 C +ATOM 3542 CG ARG A 462 3.004 26.596 35.266 1.00 27.36 C +ATOM 3543 CD ARG A 462 3.404 27.149 33.894 1.00 35.45 C +ATOM 3544 NE ARG A 462 4.095 28.429 34.112 1.00 41.01 N +ATOM 3545 CZ ARG A 462 3.507 29.615 34.191 1.00 44.43 C +ATOM 3546 NH1 ARG A 462 2.192 29.755 34.067 1.00 49.67 N +ATOM 3547 NH2 ARG A 462 4.253 30.698 34.397 1.00 44.95 N +ATOM 3548 N ALA A 463 4.356 24.136 37.798 1.00 19.70 N +ATOM 3549 CA ALA A 463 5.409 24.421 38.769 1.00 22.16 C +ATOM 3550 C ALA A 463 6.154 25.711 38.440 1.00 21.19 C +ATOM 3551 O ALA A 463 6.446 25.994 37.273 1.00 24.18 O +ATOM 3552 CB ALA A 463 6.364 23.217 38.845 1.00 22.82 C +ATOM 3553 N ILE A 464 6.450 26.492 39.477 1.00 20.12 N +ATOM 3554 CA ILE A 464 7.317 27.669 39.302 1.00 21.36 C +ATOM 3555 C ILE A 464 8.368 27.655 40.404 1.00 21.89 C +ATOM 3556 O ILE A 464 8.499 26.696 41.169 1.00 23.78 O +ATOM 3557 CB ILE A 464 6.542 28.976 39.284 1.00 21.73 C +ATOM 3558 CG1 ILE A 464 5.829 29.306 40.592 1.00 20.12 C +ATOM 3559 CG2 ILE A 464 5.552 28.979 38.114 1.00 21.22 C +ATOM 3560 CD1 ILE A 464 5.446 30.767 40.710 1.00 24.33 C +ATOM 3561 N ASP A 465 9.200 28.697 40.477 1.00 21.60 N +ATOM 3562 CA ASP A 465 10.366 28.549 41.340 1.00 21.49 C +ATOM 3563 C ASP A 465 10.009 28.435 42.811 1.00 21.12 C +ATOM 3564 O ASP A 465 9.051 29.078 43.249 1.00 23.71 O +ATOM 3565 CB ASP A 465 11.290 29.771 41.160 1.00 21.34 C +ATOM 3566 CG ASP A 465 11.765 30.022 39.754 1.00 22.44 C +ATOM 3567 OD1 ASP A 465 11.721 29.114 38.894 1.00 22.08 O +ATOM 3568 OD2 ASP A 465 12.231 31.159 39.462 1.00 23.90 O +ATOM 3569 N GLY A 466 10.802 27.694 43.594 1.00 20.66 N +ATOM 3570 CA GLY A 466 10.663 27.692 45.029 1.00 21.09 C +ATOM 3571 C GLY A 466 9.595 26.803 45.644 1.00 21.48 C +ATOM 3572 O GLY A 466 9.068 27.156 46.705 1.00 23.99 O +ATOM 3573 N ASP A 467 9.281 25.696 45.009 1.00 24.04 N +ATOM 3574 CA ASP A 467 8.277 24.771 45.516 1.00 24.25 C +ATOM 3575 C ASP A 467 6.926 25.474 45.636 1.00 26.06 C +ATOM 3576 O ASP A 467 6.244 25.510 46.663 1.00 23.75 O +ATOM 3577 CB ASP A 467 8.666 24.151 46.855 1.00 22.13 C +ATOM 3578 CG ASP A 467 9.901 23.280 46.759 1.00 24.72 C +ATOM 3579 OD1 ASP A 467 10.115 22.649 45.710 1.00 31.65 O +ATOM 3580 OD2 ASP A 467 10.667 23.274 47.751 1.00 31.48 O +ATOM 3581 N VAL A 468 6.593 26.056 44.485 1.00 24.33 N +ATOM 3582 CA VAL A 468 5.349 26.788 44.339 1.00 20.83 C +ATOM 3583 C VAL A 468 4.715 26.327 43.030 1.00 22.14 C +ATOM 3584 O VAL A 468 5.417 26.143 42.046 1.00 20.80 O +ATOM 3585 CB VAL A 468 5.562 28.304 44.363 1.00 18.30 C +ATOM 3586 CG1 VAL A 468 4.287 29.067 44.061 1.00 19.03 C +ATOM 3587 CG2 VAL A 468 6.101 28.694 45.731 1.00 20.74 C +ATOM 3588 N THR A 469 3.400 26.130 43.075 1.00 19.92 N +ATOM 3589 CA THR A 469 2.638 25.813 41.873 1.00 19.53 C +ATOM 3590 C THR A 469 1.692 26.972 41.567 1.00 19.13 C +ATOM 3591 O THR A 469 0.960 27.452 42.426 1.00 18.31 O +ATOM 3592 CB THR A 469 1.840 24.519 42.081 1.00 18.70 C +ATOM 3593 OG1 THR A 469 2.752 23.414 42.143 1.00 20.11 O +ATOM 3594 CG2 THR A 469 0.889 24.246 40.930 1.00 22.37 C +ATOM 3595 N PHE A 470 1.723 27.407 40.322 1.00 18.10 N +ATOM 3596 CA PHE A 470 0.919 28.523 39.865 1.00 17.98 C +ATOM 3597 C PHE A 470 -0.286 27.963 39.112 1.00 18.67 C +ATOM 3598 O PHE A 470 -0.029 27.195 38.181 1.00 19.09 O +ATOM 3599 CB PHE A 470 1.708 29.451 38.966 1.00 19.45 C +ATOM 3600 CG PHE A 470 0.925 30.547 38.290 1.00 22.79 C +ATOM 3601 CD1 PHE A 470 0.212 31.487 38.994 1.00 20.90 C +ATOM 3602 CD2 PHE A 470 0.910 30.625 36.903 1.00 29.22 C +ATOM 3603 CE1 PHE A 470 -0.491 32.479 38.351 1.00 22.73 C +ATOM 3604 CE2 PHE A 470 0.209 31.616 36.244 1.00 30.23 C +ATOM 3605 CZ PHE A 470 -0.488 32.564 36.967 1.00 28.43 C +ATOM 3606 N CYS A 471 -1.469 28.337 39.555 1.00 18.31 N +ATOM 3607 CA CYS A 471 -2.694 27.902 38.873 1.00 18.09 C +ATOM 3608 C CYS A 471 -3.442 29.104 38.323 1.00 17.60 C +ATOM 3609 O CYS A 471 -3.694 30.086 39.006 1.00 17.36 O +ATOM 3610 CB CYS A 471 -3.623 27.104 39.794 1.00 17.29 C +ATOM 3611 SG CYS A 471 -2.940 25.582 40.467 1.00 21.17 S +ATOM 3612 N ARG A 472 -3.824 29.020 37.051 1.00 18.32 N +ATOM 3613 CA ARG A 472 -4.569 30.040 36.346 1.00 19.20 C +ATOM 3614 C ARG A 472 -5.985 29.528 36.107 1.00 16.74 C +ATOM 3615 O ARG A 472 -6.127 28.368 35.700 1.00 19.35 O +ATOM 3616 CB ARG A 472 -3.875 30.351 35.025 1.00 23.26 C +ATOM 3617 CG ARG A 472 -4.486 31.512 34.292 1.00 28.44 C +ATOM 3618 CD ARG A 472 -3.848 31.694 32.924 1.00 33.44 C +ATOM 3619 NE ARG A 472 -2.416 31.950 33.011 1.00 36.11 N +ATOM 3620 CZ ARG A 472 -1.851 33.142 33.160 1.00 38.30 C +ATOM 3621 NH1 ARG A 472 -2.572 34.247 33.257 1.00 40.94 N +ATOM 3622 NH2 ARG A 472 -0.526 33.249 33.219 1.00 40.62 N +ATOM 3623 N PRO A 473 -7.026 30.318 36.327 1.00 14.83 N +ATOM 3624 CA PRO A 473 -8.367 29.821 36.028 1.00 15.70 C +ATOM 3625 C PRO A 473 -8.564 29.613 34.513 1.00 16.76 C +ATOM 3626 O PRO A 473 -7.981 30.361 33.728 1.00 15.77 O +ATOM 3627 CB PRO A 473 -9.280 30.943 36.526 1.00 16.50 C +ATOM 3628 CG PRO A 473 -8.430 32.177 36.506 1.00 19.60 C +ATOM 3629 CD PRO A 473 -7.041 31.689 36.819 1.00 17.33 C +ATOM 3630 N LYS A 474 -9.386 28.616 34.163 1.00 16.92 N +ATOM 3631 CA ALYS A 474 -9.630 28.284 32.756 0.46 18.03 C +ATOM 3632 CA BLYS A 474 -9.603 28.291 32.752 0.54 17.97 C +ATOM 3633 C ALYS A 474 -10.760 29.096 32.148 0.46 18.00 C +ATOM 3634 C BLYS A 474 -10.349 29.427 32.065 0.54 18.10 C +ATOM 3635 O ALYS A 474 -11.115 28.968 30.971 0.46 21.31 O +ATOM 3636 O BLYS A 474 -9.973 29.825 30.956 0.54 19.13 O +ATOM 3637 CB ALYS A 474 -9.941 26.794 32.578 0.46 20.10 C +ATOM 3638 CB BLYS A 474 -10.345 26.959 32.640 0.54 19.62 C +ATOM 3639 CG ALYS A 474 -8.722 25.900 32.531 0.46 23.87 C +ATOM 3640 CG BLYS A 474 -10.905 26.648 31.282 0.54 21.72 C +ATOM 3641 CD ALYS A 474 -9.085 24.435 32.406 0.46 26.28 C +ATOM 3642 CD BLYS A 474 -11.722 25.350 31.223 0.54 23.81 C +ATOM 3643 CE ALYS A 474 -7.910 23.523 32.693 0.46 30.20 C +ATOM 3644 CE BLYS A 474 -12.457 25.273 29.888 0.54 24.71 C +ATOM 3645 NZ ALYS A 474 -8.192 22.535 33.770 0.46 34.15 N +ATOM 3646 NZ BLYS A 474 -12.697 23.881 29.431 0.54 18.99 N +ATOM 3647 N ASER A 475 -11.368 29.973 32.929 0.46 16.05 N +ATOM 3648 N BSER A 475 -11.376 29.925 32.738 0.54 15.77 N +ATOM 3649 CA ASER A 475 -12.187 31.021 32.336 0.46 17.06 C +ATOM 3650 CA BSER A 475 -12.211 31.032 32.331 0.54 17.15 C +ATOM 3651 C SER A 475 -11.991 32.265 33.191 1.00 15.94 C +ATOM 3652 O SER A 475 -11.552 32.144 34.342 1.00 17.66 O +ATOM 3653 CB ASER A 475 -13.649 30.621 32.199 0.46 17.46 C +ATOM 3654 CB BSER A 475 -13.694 30.628 32.403 0.54 17.53 C +ATOM 3655 OG ASER A 475 -14.220 30.276 33.437 0.46 13.24 O +ATOM 3656 OG BSER A 475 -13.881 29.393 31.747 0.54 27.03 O +ATOM 3657 N PRO A 476 -12.274 33.437 32.686 1.00 15.44 N +ATOM 3658 CA PRO A 476 -11.974 34.647 33.468 1.00 15.74 C +ATOM 3659 C PRO A 476 -12.714 34.707 34.795 1.00 16.60 C +ATOM 3660 O PRO A 476 -13.929 34.512 34.827 1.00 19.68 O +ATOM 3661 CB PRO A 476 -12.462 35.784 32.557 1.00 16.57 C +ATOM 3662 CG PRO A 476 -12.289 35.157 31.201 1.00 15.21 C +ATOM 3663 CD PRO A 476 -12.826 33.762 31.367 1.00 16.68 C +ATOM 3664 N VAL A 477 -11.980 35.029 35.854 1.00 15.01 N +ATOM 3665 CA VAL A 477 -12.472 35.251 37.191 1.00 13.69 C +ATOM 3666 C VAL A 477 -12.498 36.752 37.497 1.00 15.01 C +ATOM 3667 O VAL A 477 -11.472 37.416 37.375 1.00 15.94 O +ATOM 3668 CB VAL A 477 -11.632 34.550 38.281 1.00 15.08 C +ATOM 3669 CG1 VAL A 477 -12.136 34.936 39.663 1.00 14.72 C +ATOM 3670 CG2 VAL A 477 -11.675 33.035 38.180 1.00 15.88 C +ATOM 3671 N TYR A 478 -13.620 37.284 37.896 1.00 15.18 N +ATOM 3672 CA TYR A 478 -13.822 38.602 38.437 1.00 14.27 C +ATOM 3673 C TYR A 478 -14.618 38.535 39.757 1.00 15.82 C +ATOM 3674 O TYR A 478 -15.551 37.771 39.858 1.00 16.71 O +ATOM 3675 CB TYR A 478 -14.591 39.537 37.522 1.00 15.43 C +ATOM 3676 CG TYR A 478 -13.901 39.917 36.234 1.00 17.14 C +ATOM 3677 CD1 TYR A 478 -14.048 39.161 35.074 1.00 16.91 C +ATOM 3678 CD2 TYR A 478 -13.099 41.046 36.167 1.00 17.58 C +ATOM 3679 CE1 TYR A 478 -13.417 39.501 33.890 1.00 17.20 C +ATOM 3680 CE2 TYR A 478 -12.474 41.391 34.982 1.00 17.45 C +ATOM 3681 CZ TYR A 478 -12.624 40.633 33.848 1.00 17.59 C +ATOM 3682 OH TYR A 478 -12.009 40.970 32.668 1.00 16.37 O +ATOM 3683 N VAL A 479 -14.198 39.388 40.686 1.00 14.75 N +ATOM 3684 CA VAL A 479 -14.895 39.599 41.946 1.00 16.98 C +ATOM 3685 C VAL A 479 -15.185 41.088 42.085 1.00 17.51 C +ATOM 3686 O VAL A 479 -14.585 41.955 41.433 1.00 18.62 O +ATOM 3687 CB VAL A 479 -14.126 39.032 43.138 1.00 16.53 C +ATOM 3688 CG1 VAL A 479 -14.153 37.492 43.094 1.00 16.21 C +ATOM 3689 CG2 VAL A 479 -12.702 39.564 43.191 1.00 16.39 C +ATOM 3690 N GLY A 480 -16.150 41.378 42.931 1.00 16.56 N +ATOM 3691 CA GLY A 480 -16.604 42.756 43.073 1.00 18.54 C +ATOM 3692 C GLY A 480 -17.783 42.781 44.038 1.00 19.98 C +ATOM 3693 O GLY A 480 -18.035 41.780 44.730 1.00 18.37 O +ATOM 3694 N ASN A 481 -18.467 43.925 44.065 1.00 19.65 N +ATOM 3695 CA ASN A 481 -19.658 44.025 44.925 1.00 20.03 C +ATOM 3696 C ASN A 481 -20.719 43.132 44.319 1.00 21.76 C +ATOM 3697 O ASN A 481 -21.153 43.388 43.198 1.00 24.60 O +ATOM 3698 CB ASN A 481 -20.064 45.491 45.017 1.00 20.62 C +ATOM 3699 CG ASN A 481 -21.274 45.760 45.876 1.00 24.44 C +ATOM 3700 OD1 ASN A 481 -22.108 44.871 46.035 1.00 25.95 O +ATOM 3701 ND2 ASN A 481 -21.349 46.972 46.438 1.00 27.72 N +ATOM 3702 N GLY A 482 -21.089 42.057 45.012 1.00 21.34 N +ATOM 3703 CA GLY A 482 -22.124 41.179 44.499 1.00 19.50 C +ATOM 3704 C GLY A 482 -21.599 39.940 43.799 1.00 21.78 C +ATOM 3705 O GLY A 482 -22.409 39.081 43.442 1.00 20.27 O +ATOM 3706 N VAL A 483 -20.303 39.840 43.601 1.00 19.87 N +ATOM 3707 CA VAL A 483 -19.648 38.719 42.948 1.00 19.73 C +ATOM 3708 C VAL A 483 -18.449 38.307 43.793 1.00 18.70 C +ATOM 3709 O VAL A 483 -17.406 38.945 43.893 1.00 17.07 O +ATOM 3710 CB VAL A 483 -19.225 39.036 41.508 1.00 19.85 C +ATOM 3711 CG1 VAL A 483 -18.463 37.864 40.924 1.00 21.44 C +ATOM 3712 CG2 VAL A 483 -20.454 39.368 40.651 1.00 19.48 C +ATOM 3713 N HIS A 484 -18.638 37.160 44.458 1.00 19.92 N +ATOM 3714 CA HIS A 484 -17.655 36.682 45.412 1.00 16.20 C +ATOM 3715 C HIS A 484 -17.203 35.283 45.053 1.00 18.35 C +ATOM 3716 O HIS A 484 -17.914 34.492 44.427 1.00 18.01 O +ATOM 3717 CB HIS A 484 -18.246 36.736 46.835 1.00 21.68 C +ATOM 3718 CG HIS A 484 -19.025 38.006 47.043 1.00 25.47 C +ATOM 3719 ND1 HIS A 484 -20.353 38.040 47.378 1.00 26.38 N +ATOM 3720 CD2 HIS A 484 -18.639 39.305 46.930 1.00 24.87 C +ATOM 3721 CE1 HIS A 484 -20.752 39.305 47.482 1.00 27.85 C +ATOM 3722 NE2 HIS A 484 -19.724 40.081 47.217 1.00 26.61 N +ATOM 3723 N ALA A 485 -15.983 34.937 45.419 1.00 17.18 N +ATOM 3724 CA ALA A 485 -15.409 33.657 45.066 1.00 19.47 C +ATOM 3725 C ALA A 485 -14.898 32.888 46.288 1.00 20.09 C +ATOM 3726 O ALA A 485 -14.549 33.437 47.322 1.00 18.90 O +ATOM 3727 CB ALA A 485 -14.234 33.876 44.121 1.00 18.89 C +ATOM 3728 N ASN A 486 -14.889 31.591 46.066 1.00 16.59 N +ATOM 3729 CA ASN A 486 -14.198 30.637 46.895 1.00 16.09 C +ATOM 3730 C ASN A 486 -13.072 29.984 46.105 1.00 16.92 C +ATOM 3731 O ASN A 486 -13.369 29.310 45.120 1.00 18.07 O +ATOM 3732 CB ASN A 486 -15.118 29.536 47.429 1.00 15.88 C +ATOM 3733 CG ASN A 486 -14.387 28.669 48.425 1.00 16.07 C +ATOM 3734 OD1 ASN A 486 -13.976 29.133 49.496 1.00 16.88 O +ATOM 3735 ND2 ASN A 486 -14.194 27.402 48.122 1.00 17.59 N +ATOM 3736 N LEU A 487 -11.837 30.192 46.554 1.00 14.06 N +ATOM 3737 CA LEU A 487 -10.700 29.419 46.117 1.00 14.28 C +ATOM 3738 C LEU A 487 -10.604 28.143 46.949 1.00 12.99 C +ATOM 3739 O LEU A 487 -10.429 28.216 48.161 1.00 16.03 O +ATOM 3740 CB LEU A 487 -9.392 30.209 46.254 1.00 18.13 C +ATOM 3741 CG LEU A 487 -8.105 29.465 46.005 1.00 19.85 C +ATOM 3742 CD1 LEU A 487 -7.982 28.903 44.593 1.00 15.85 C +ATOM 3743 CD2 LEU A 487 -6.950 30.420 46.323 1.00 20.44 C +ATOM 3744 N HIS A 488 -10.742 27.003 46.304 1.00 14.37 N +ATOM 3745 CA HIS A 488 -10.585 25.694 46.947 1.00 15.22 C +ATOM 3746 C HIS A 488 -9.277 25.084 46.494 1.00 15.89 C +ATOM 3747 O HIS A 488 -9.108 24.714 45.336 1.00 15.28 O +ATOM 3748 CB HIS A 488 -11.765 24.777 46.598 1.00 16.10 C +ATOM 3749 CG HIS A 488 -11.656 23.456 47.302 1.00 15.35 C +ATOM 3750 ND1 HIS A 488 -11.998 23.345 48.658 1.00 16.16 N +ATOM 3751 CD2 HIS A 488 -11.265 22.242 46.909 1.00 14.75 C +ATOM 3752 CE1 HIS A 488 -11.799 22.088 49.018 1.00 15.91 C +ATOM 3753 NE2 HIS A 488 -11.353 21.384 47.989 1.00 16.46 N +ATOM 3754 N VAL A 489 -8.344 24.988 47.452 1.00 14.98 N +ATOM 3755 CA VAL A 489 -7.080 24.322 47.239 1.00 16.18 C +ATOM 3756 C VAL A 489 -7.182 22.888 47.733 1.00 17.33 C +ATOM 3757 O VAL A 489 -7.562 22.671 48.891 1.00 16.64 O +ATOM 3758 CB VAL A 489 -5.959 25.065 48.004 1.00 18.61 C +ATOM 3759 CG1 VAL A 489 -4.644 24.369 47.718 1.00 18.94 C +ATOM 3760 CG2 VAL A 489 -5.965 26.517 47.599 1.00 15.84 C +ATOM 3761 N ALA A 490 -6.871 21.964 46.851 1.00 16.41 N +ATOM 3762 CA ALA A 490 -6.828 20.546 47.176 1.00 18.42 C +ATOM 3763 C ALA A 490 -5.391 20.050 47.160 1.00 18.46 C +ATOM 3764 O ALA A 490 -4.820 20.071 46.071 1.00 19.76 O +ATOM 3765 CB ALA A 490 -7.706 19.771 46.193 1.00 17.95 C +ATOM 3766 N PHE A 491 -4.866 19.688 48.324 1.00 17.23 N +ATOM 3767 CA PHE A 491 -3.555 19.077 48.414 1.00 16.83 C +ATOM 3768 C PHE A 491 -3.695 17.555 48.407 1.00 19.60 C +ATOM 3769 O PHE A 491 -4.632 16.989 48.954 1.00 20.13 O +ATOM 3770 CB PHE A 491 -2.774 19.488 49.663 1.00 18.87 C +ATOM 3771 CG PHE A 491 -2.381 20.954 49.728 1.00 18.30 C +ATOM 3772 CD1 PHE A 491 -1.493 21.482 48.794 1.00 17.44 C +ATOM 3773 CD2 PHE A 491 -2.878 21.774 50.724 1.00 17.59 C +ATOM 3774 CE1 PHE A 491 -1.101 22.803 48.867 1.00 18.85 C +ATOM 3775 CE2 PHE A 491 -2.501 23.102 50.790 1.00 18.36 C +ATOM 3776 CZ PHE A 491 -1.606 23.603 49.867 1.00 18.92 C +ATOM 3777 N HIS A 492 -2.722 16.907 47.813 1.00 19.11 N +ATOM 3778 CA HIS A 492 -2.621 15.459 47.785 1.00 20.22 C +ATOM 3779 C HIS A 492 -1.360 15.026 48.510 1.00 18.77 C +ATOM 3780 O HIS A 492 -0.288 15.610 48.317 1.00 20.36 O +ATOM 3781 CB HIS A 492 -2.620 15.018 46.330 1.00 20.84 C +ATOM 3782 CG HIS A 492 -2.265 13.592 46.106 1.00 24.45 C +ATOM 3783 ND1 HIS A 492 -3.190 12.578 46.187 1.00 26.42 N +ATOM 3784 CD2 HIS A 492 -1.070 13.021 45.834 1.00 25.00 C +ATOM 3785 CE1 HIS A 492 -2.577 11.429 45.953 1.00 26.83 C +ATOM 3786 NE2 HIS A 492 -1.294 11.674 45.734 1.00 29.02 N +ATOM 3787 N ARG A 493 -1.471 14.031 49.368 1.00 23.55 N +ATOM 3788 CA ARG A 493 -0.279 13.524 50.050 1.00 29.06 C +ATOM 3789 C ARG A 493 0.301 12.402 49.197 1.00 30.93 C +ATOM 3790 O ARG A 493 -0.365 11.382 49.059 1.00 28.47 O +ATOM 3791 CB ARG A 493 -0.602 12.998 51.442 1.00 34.05 C +ATOM 3792 CG ARG A 493 0.601 12.401 52.171 1.00 36.98 C +ATOM 3793 CD ARG A 493 0.531 12.671 53.660 1.00 38.82 C +ATOM 3794 NE ARG A 493 1.830 12.779 54.316 1.00 39.68 N +ATOM 3795 CZ ARG A 493 2.026 13.408 55.468 1.00 40.65 C +ATOM 3796 NH1 ARG A 493 1.045 14.008 56.135 1.00 37.00 N +ATOM 3797 NH2 ARG A 493 3.237 13.469 56.011 1.00 47.19 N +ATOM 3798 N SER A 494 1.489 12.594 48.643 1.00 32.75 N +ATOM 3799 CA SER A 494 2.058 11.585 47.762 1.00 37.50 C +ATOM 3800 C SER A 494 3.102 10.730 48.466 1.00 40.05 C +ATOM 3801 O SER A 494 3.748 9.934 47.778 1.00 44.87 O +ATOM 3802 CB SER A 494 2.705 12.232 46.534 1.00 39.68 C +ATOM 3803 OG SER A 494 3.976 12.769 46.864 1.00 47.02 O +ATOM 3804 N SER A 495 3.232 10.915 49.772 1.00 42.74 N +ATOM 3805 CA SER A 495 4.207 10.204 50.574 1.00 47.18 C +ATOM 3806 C SER A 495 3.815 10.155 52.058 1.00 50.86 C +ATOM 3807 O SER A 495 3.450 11.166 52.665 1.00 46.31 O +ATOM 3808 CB SER A 495 5.601 10.832 50.440 1.00 48.96 C +ATOM 3809 OG SER A 495 6.556 10.120 51.199 1.00 54.58 O +ATOM 3810 N SER A 496 3.900 8.946 52.609 1.00 55.01 N +ATOM 3811 CA SER A 496 3.627 8.582 53.978 1.00 58.98 C +ATOM 3812 C SER A 496 4.563 9.328 54.934 1.00 61.47 C +ATOM 3813 O SER A 496 4.100 9.767 55.985 1.00 63.27 O +ATOM 3814 CB SER A 496 3.821 7.075 54.189 1.00 60.11 C +ATOM 3815 OG SER A 496 5.168 6.786 54.541 1.00 62.89 O +ATOM 3816 N GLU A 497 5.818 9.425 54.517 1.00 63.11 N +ATOM 3817 CA GLU A 497 6.874 10.136 55.225 1.00 64.31 C +ATOM 3818 C GLU A 497 6.337 11.433 55.817 1.00 64.82 C +ATOM 3819 O GLU A 497 5.812 12.255 55.058 1.00 68.43 O +ATOM 3820 CB GLU A 497 8.038 10.427 54.266 1.00 65.08 C +ATOM 3821 N LYS A 498 6.440 11.618 57.130 1.00 64.19 N +ATOM 3822 CA LYS A 498 5.781 12.736 57.804 1.00 63.02 C +ATOM 3823 C LYS A 498 6.267 14.100 57.318 1.00 61.63 C +ATOM 3824 O LYS A 498 7.349 14.236 56.750 1.00 60.31 O +ATOM 3825 CB LYS A 498 5.947 12.630 59.325 1.00 64.63 C +ATOM 3826 N ILE A 499 5.448 15.133 57.536 1.00 60.75 N +ATOM 3827 CA ILE A 499 5.815 16.473 57.078 1.00 59.42 C +ATOM 3828 C ILE A 499 6.226 17.341 58.257 1.00 57.24 C +ATOM 3829 O ILE A 499 5.512 17.413 59.256 1.00 52.95 O +ATOM 3830 CB ILE A 499 4.671 17.161 56.306 1.00 61.35 C +ATOM 3831 N HIS A 500 7.375 18.014 58.180 1.00 55.81 N +ATOM 3832 CA HIS A 500 7.787 18.846 59.311 1.00 54.47 C +ATOM 3833 C HIS A 500 7.532 20.324 59.058 1.00 54.67 C +ATOM 3834 O HIS A 500 7.743 20.815 57.948 1.00 52.98 O +ATOM 3835 CB HIS A 500 9.268 18.597 59.623 1.00 53.66 C +ATOM 3836 CG HIS A 500 9.557 17.123 59.677 1.00 53.66 C +ATOM 3837 ND1 HIS A 500 10.052 16.421 58.602 1.00 53.83 N +ATOM 3838 CD2 HIS A 500 9.403 16.222 60.681 1.00 53.45 C +ATOM 3839 CE1 HIS A 500 10.204 15.152 58.936 1.00 54.50 C +ATOM 3840 NE2 HIS A 500 9.816 15.006 60.196 1.00 54.07 N +ATOM 3841 N SER A 501 7.096 21.021 60.096 1.00 55.01 N +ATOM 3842 CA SER A 501 6.691 22.406 60.143 1.00 55.73 C +ATOM 3843 C SER A 501 7.702 23.394 59.569 1.00 55.36 C +ATOM 3844 O SER A 501 7.311 24.551 59.364 1.00 60.08 O +ATOM 3845 CB SER A 501 6.398 22.829 61.594 1.00 57.30 C +ATOM 3846 OG SER A 501 7.337 22.247 62.490 1.00 62.26 O +ATOM 3847 N ASN A 502 8.927 22.952 59.350 1.00 53.48 N +ATOM 3848 CA ASN A 502 10.046 23.701 58.826 1.00 50.74 C +ATOM 3849 C ASN A 502 10.546 23.106 57.512 1.00 47.57 C +ATOM 3850 O ASN A 502 11.576 23.503 56.971 1.00 49.23 O +ATOM 3851 CB ASN A 502 11.186 23.723 59.850 1.00 51.06 C +ATOM 3852 N GLU A 503 9.798 22.140 56.997 1.00 44.11 N +ATOM 3853 CA GLU A 503 10.121 21.493 55.735 1.00 41.84 C +ATOM 3854 C GLU A 503 9.661 22.294 54.533 1.00 39.00 C +ATOM 3855 O GLU A 503 10.176 22.172 53.423 1.00 41.06 O +ATOM 3856 CB GLU A 503 9.455 20.116 55.688 1.00 41.30 C +ATOM 3857 CG GLU A 503 9.975 19.163 54.638 1.00 41.11 C +ATOM 3858 CD GLU A 503 9.341 17.786 54.725 1.00 42.03 C +ATOM 3859 OE1 GLU A 503 8.489 17.565 55.616 1.00 38.96 O +ATOM 3860 OE2 GLU A 503 9.681 16.912 53.902 1.00 47.15 O +ATOM 3861 N ILE A 504 8.644 23.137 54.683 1.00 37.20 N +ATOM 3862 CA ILE A 504 8.107 23.734 53.449 1.00 35.76 C +ATOM 3863 C ILE A 504 8.860 24.998 53.083 1.00 33.80 C +ATOM 3864 O ILE A 504 9.112 25.831 53.967 1.00 35.19 O +ATOM 3865 CB ILE A 504 6.614 24.025 53.645 1.00 34.93 C +ATOM 3866 CG1 ILE A 504 5.810 24.156 52.352 1.00 36.68 C +ATOM 3867 CG2 ILE A 504 6.421 25.272 54.497 1.00 32.09 C +ATOM 3868 CD1 ILE A 504 4.309 24.071 52.614 1.00 39.67 C +ATOM 3869 N SER A 505 9.237 25.158 51.818 1.00 31.15 N +ATOM 3870 CA SER A 505 9.923 26.380 51.406 1.00 30.16 C +ATOM 3871 C SER A 505 8.995 27.583 51.468 1.00 33.35 C +ATOM 3872 O SER A 505 9.262 28.677 51.972 1.00 36.98 O +ATOM 3873 CB SER A 505 10.466 26.269 49.982 1.00 29.91 C +ATOM 3874 OG SER A 505 11.196 25.091 49.723 1.00 36.79 O +ATOM 3875 N SER A 506 7.792 27.412 50.909 1.00 34.12 N +ATOM 3876 CA SER A 506 6.851 28.521 50.975 1.00 34.29 C +ATOM 3877 C SER A 506 5.811 28.250 52.057 1.00 34.28 C +ATOM 3878 O SER A 506 5.376 27.105 52.145 1.00 34.56 O +ATOM 3879 CB SER A 506 6.142 28.748 49.638 1.00 34.46 C +ATOM 3880 OG SER A 506 5.300 29.896 49.750 1.00 37.57 O +ATOM 3881 N ASP A 507 5.437 29.286 52.802 1.00 34.66 N +ATOM 3882 CA ASP A 507 4.378 29.104 53.792 1.00 36.88 C +ATOM 3883 C ASP A 507 3.196 30.028 53.541 1.00 33.43 C +ATOM 3884 O ASP A 507 2.414 30.363 54.431 1.00 37.18 O +ATOM 3885 CB ASP A 507 4.919 29.331 55.204 1.00 42.90 C +ATOM 3886 CG ASP A 507 5.206 30.790 55.504 1.00 47.31 C +ATOM 3887 OD1 ASP A 507 5.659 31.532 54.608 1.00 48.66 O +ATOM 3888 OD2 ASP A 507 4.959 31.191 56.665 1.00 57.87 O +ATOM 3889 N SER A 508 3.026 30.486 52.301 1.00 29.77 N +ATOM 3890 CA SER A 508 1.848 31.312 52.060 1.00 28.96 C +ATOM 3891 C SER A 508 1.129 30.837 50.791 1.00 26.44 C +ATOM 3892 O SER A 508 1.732 30.167 49.959 1.00 28.37 O +ATOM 3893 CB SER A 508 2.170 32.787 51.872 1.00 31.97 C +ATOM 3894 OG SER A 508 3.066 32.971 50.783 1.00 33.32 O +ATOM 3895 N ILE A 509 -0.123 31.235 50.689 1.00 24.24 N +ATOM 3896 CA ILE A 509 -0.850 31.127 49.427 1.00 23.77 C +ATOM 3897 C ILE A 509 -0.961 32.530 48.837 1.00 21.39 C +ATOM 3898 O ILE A 509 -1.380 33.474 49.523 1.00 22.32 O +ATOM 3899 CB ILE A 509 -2.227 30.486 49.592 1.00 25.17 C +ATOM 3900 CG1 ILE A 509 -2.165 28.996 49.914 1.00 26.84 C +ATOM 3901 CG2 ILE A 509 -3.076 30.721 48.347 1.00 25.93 C +ATOM 3902 CD1 ILE A 509 -3.507 28.337 50.132 1.00 34.81 C +ATOM 3903 N GLY A 510 -0.587 32.678 47.569 1.00 18.89 N +ATOM 3904 CA GLY A 510 -0.679 33.958 46.896 1.00 17.82 C +ATOM 3905 C GLY A 510 -1.880 34.056 45.996 1.00 19.81 C +ATOM 3906 O GLY A 510 -2.284 33.075 45.363 1.00 22.12 O +ATOM 3907 N VAL A 511 -2.465 35.244 45.970 1.00 18.03 N +ATOM 3908 CA VAL A 511 -3.551 35.545 45.054 1.00 17.09 C +ATOM 3909 C VAL A 511 -3.132 36.687 44.138 1.00 15.42 C +ATOM 3910 O VAL A 511 -2.765 37.746 44.603 1.00 18.41 O +ATOM 3911 CB VAL A 511 -4.834 35.927 45.782 1.00 18.01 C +ATOM 3912 CG1 VAL A 511 -5.941 36.204 44.776 1.00 18.64 C +ATOM 3913 CG2 VAL A 511 -5.183 34.804 46.737 1.00 20.65 C +ATOM 3914 N LEU A 512 -3.161 36.442 42.842 1.00 16.27 N +ATOM 3915 CA LEU A 512 -2.728 37.469 41.904 1.00 17.32 C +ATOM 3916 C LEU A 512 -3.941 38.168 41.314 1.00 17.61 C +ATOM 3917 O LEU A 512 -4.810 37.460 40.825 1.00 16.24 O +ATOM 3918 CB LEU A 512 -1.843 36.861 40.827 1.00 17.09 C +ATOM 3919 CG LEU A 512 -0.513 36.289 41.306 1.00 17.91 C +ATOM 3920 CD1 LEU A 512 0.272 35.658 40.159 1.00 26.87 C +ATOM 3921 CD2 LEU A 512 0.332 37.389 41.949 1.00 17.67 C +ATOM 3922 N GLY A 513 -3.929 39.487 41.392 1.00 17.19 N +ATOM 3923 CA GLY A 513 -4.956 40.354 40.862 1.00 18.04 C +ATOM 3924 C GLY A 513 -4.568 40.988 39.540 1.00 15.60 C +ATOM 3925 O GLY A 513 -3.847 40.382 38.739 1.00 18.18 O +ATOM 3926 N TYR A 514 -5.067 42.190 39.345 1.00 16.93 N +ATOM 3927 CA TYR A 514 -4.989 42.865 38.061 1.00 19.37 C +ATOM 3928 C TYR A 514 -3.531 43.254 37.759 1.00 20.22 C +ATOM 3929 O TYR A 514 -2.753 43.436 38.679 1.00 18.35 O +ATOM 3930 CB TYR A 514 -5.865 44.097 38.005 1.00 17.36 C +ATOM 3931 CG TYR A 514 -5.677 45.182 39.029 1.00 19.42 C +ATOM 3932 CD1 TYR A 514 -4.713 46.169 38.847 1.00 21.86 C +ATOM 3933 CD2 TYR A 514 -6.456 45.253 40.167 1.00 17.54 C +ATOM 3934 CE1 TYR A 514 -4.566 47.158 39.803 1.00 19.70 C +ATOM 3935 CE2 TYR A 514 -6.309 46.240 41.124 1.00 18.65 C +ATOM 3936 CZ TYR A 514 -5.345 47.200 40.926 1.00 21.20 C +ATOM 3937 OH TYR A 514 -5.180 48.203 41.866 1.00 26.01 O +ATOM 3938 N GLN A 515 -3.291 43.389 36.458 1.00 21.17 N +ATOM 3939 CA GLN A 515 -1.983 43.840 35.969 1.00 23.31 C +ATOM 3940 C GLN A 515 -1.882 45.347 36.106 1.00 22.28 C +ATOM 3941 O GLN A 515 -2.822 46.099 35.806 1.00 21.78 O +ATOM 3942 CB GLN A 515 -1.820 43.378 34.529 1.00 22.84 C +ATOM 3943 CG GLN A 515 -0.428 43.529 33.952 1.00 23.44 C +ATOM 3944 CD GLN A 515 -0.392 43.201 32.468 1.00 21.35 C +ATOM 3945 OE1 GLN A 515 -1.191 43.750 31.700 1.00 23.23 O +ATOM 3946 NE2 GLN A 515 0.520 42.312 32.120 1.00 25.12 N +ATOM 3947 N LYS A 516 -0.733 45.825 36.596 1.00 21.73 N +ATOM 3948 CA LYS A 516 -0.461 47.240 36.808 1.00 23.87 C +ATOM 3949 C LYS A 516 1.019 47.496 36.502 1.00 23.93 C +ATOM 3950 O LYS A 516 1.788 46.569 36.268 1.00 25.08 O +ATOM 3951 CB LYS A 516 -0.809 47.713 38.216 1.00 25.95 C +ATOM 3952 CG LYS A 516 -0.132 46.983 39.354 1.00 26.12 C +ATOM 3953 CD LYS A 516 -0.573 47.441 40.737 1.00 28.74 C +ATOM 3954 CE LYS A 516 0.290 46.775 41.808 1.00 30.38 C +ATOM 3955 NZ LYS A 516 -0.076 47.201 43.192 1.00 30.12 N +ATOM 3956 N THR A 517 1.390 48.772 36.463 1.00 25.78 N +ATOM 3957 CA THR A 517 2.799 49.075 36.189 1.00 28.18 C +ATOM 3958 C THR A 517 3.526 49.464 37.470 1.00 28.29 C +ATOM 3959 O THR A 517 3.086 50.343 38.204 1.00 28.25 O +ATOM 3960 CB THR A 517 2.951 50.255 35.213 1.00 32.95 C +ATOM 3961 OG1 THR A 517 2.060 50.125 34.108 1.00 35.13 O +ATOM 3962 CG2 THR A 517 4.362 50.290 34.636 1.00 35.70 C +ATOM 3963 N VAL A 518 4.656 48.807 37.701 1.00 26.64 N +ATOM 3964 CA VAL A 518 5.563 49.178 38.778 1.00 28.12 C +ATOM 3965 C VAL A 518 6.959 49.326 38.188 1.00 29.04 C +ATOM 3966 O VAL A 518 7.436 48.405 37.529 1.00 30.77 O +ATOM 3967 CB VAL A 518 5.549 48.126 39.892 1.00 29.95 C +ATOM 3968 CG1 VAL A 518 6.689 48.318 40.879 1.00 28.62 C +ATOM 3969 CG2 VAL A 518 4.220 48.177 40.641 1.00 29.29 C +ATOM 3970 N ASP A 519 7.604 50.472 38.427 1.00 29.05 N +ATOM 3971 CA ASP A 519 8.968 50.634 37.898 1.00 31.64 C +ATOM 3972 C ASP A 519 8.972 50.451 36.390 1.00 33.25 C +ATOM 3973 O ASP A 519 9.836 49.793 35.815 1.00 36.16 O +ATOM 3974 CB ASP A 519 9.915 49.656 38.580 1.00 34.19 C +ATOM 3975 CG ASP A 519 11.373 49.977 38.341 1.00 36.83 C +ATOM 3976 OD1 ASP A 519 11.708 51.179 38.198 1.00 44.35 O +ATOM 3977 OD2 ASP A 519 12.179 49.025 38.294 1.00 34.22 O +ATOM 3978 N HIS A 520 7.973 51.041 35.743 1.00 35.09 N +ATOM 3979 CA HIS A 520 7.840 51.001 34.287 1.00 38.48 C +ATOM 3980 C HIS A 520 7.731 49.588 33.738 1.00 35.61 C +ATOM 3981 O HIS A 520 8.134 49.310 32.612 1.00 38.20 O +ATOM 3982 CB HIS A 520 9.041 51.727 33.656 1.00 44.32 C +ATOM 3983 CG HIS A 520 9.112 53.160 34.100 1.00 47.65 C +ATOM 3984 ND1 HIS A 520 10.146 53.661 34.856 1.00 49.65 N +ATOM 3985 CD2 HIS A 520 8.252 54.187 33.903 1.00 48.70 C +ATOM 3986 CE1 HIS A 520 9.934 54.945 35.104 1.00 49.68 C +ATOM 3987 NE2 HIS A 520 8.791 55.283 34.534 1.00 49.62 N +ATOM 3988 N THR A 521 7.192 48.679 34.532 1.00 32.55 N +ATOM 3989 CA THR A 521 7.140 47.255 34.225 1.00 30.89 C +ATOM 3990 C THR A 521 5.756 46.708 34.579 1.00 29.16 C +ATOM 3991 O THR A 521 5.136 47.115 35.561 1.00 30.35 O +ATOM 3992 CB THR A 521 8.216 46.472 34.983 1.00 31.08 C +ATOM 3993 OG1 THR A 521 9.521 47.025 34.708 1.00 38.56 O +ATOM 3994 CG2 THR A 521 8.329 45.017 34.540 1.00 32.51 C +ATOM 3995 N LYS A 522 5.268 45.775 33.755 1.00 29.93 N +ATOM 3996 CA LYS A 522 3.974 45.189 34.088 1.00 26.69 C +ATOM 3997 C LYS A 522 4.092 44.051 35.092 1.00 24.27 C +ATOM 3998 O LYS A 522 4.790 43.081 34.850 1.00 24.90 O +ATOM 3999 CB LYS A 522 3.274 44.642 32.831 1.00 27.83 C +ATOM 4000 CG LYS A 522 2.864 45.700 31.832 1.00 28.76 C +ATOM 4001 CD LYS A 522 1.828 46.662 32.368 1.00 31.99 C +ATOM 4002 CE LYS A 522 1.605 47.860 31.463 1.00 36.48 C +ATOM 4003 NZ LYS A 522 0.465 48.708 31.920 1.00 37.55 N +ATOM 4004 N VAL A 523 3.337 44.192 36.176 1.00 21.85 N +ATOM 4005 CA VAL A 523 3.333 43.202 37.234 1.00 20.27 C +ATOM 4006 C VAL A 523 1.888 42.952 37.660 1.00 16.95 C +ATOM 4007 O VAL A 523 1.018 43.774 37.347 1.00 22.43 O +ATOM 4008 CB VAL A 523 4.134 43.663 38.458 1.00 21.89 C +ATOM 4009 CG1 VAL A 523 5.570 44.039 38.078 1.00 24.65 C +ATOM 4010 CG2 VAL A 523 3.480 44.853 39.146 1.00 23.06 C +ATOM 4011 N ASN A 524 1.638 41.877 38.384 1.00 17.59 N +ATOM 4012 CA ASN A 524 0.288 41.615 38.860 1.00 17.00 C +ATOM 4013 C ASN A 524 0.205 41.989 40.340 1.00 17.46 C +ATOM 4014 O ASN A 524 1.155 41.702 41.068 1.00 19.11 O +ATOM 4015 CB ASN A 524 -0.099 40.154 38.677 1.00 19.99 C +ATOM 4016 CG ASN A 524 -0.503 39.854 37.243 1.00 23.55 C +ATOM 4017 OD1 ASN A 524 0.369 39.571 36.437 1.00 30.61 O +ATOM 4018 ND2 ASN A 524 -1.794 39.921 36.943 1.00 27.12 N +ATOM 4019 N SER A 525 -0.890 42.634 40.713 1.00 17.82 N +ATOM 4020 CA SER A 525 -1.211 42.897 42.109 1.00 19.54 C +ATOM 4021 C SER A 525 -1.102 41.587 42.881 1.00 19.15 C +ATOM 4022 O SER A 525 -1.568 40.541 42.398 1.00 17.68 O +ATOM 4023 CB SER A 525 -2.626 43.475 42.238 1.00 19.57 C +ATOM 4024 OG SER A 525 -2.953 43.656 43.615 1.00 20.39 O +ATOM 4025 N LYS A 526 -0.492 41.539 44.055 1.00 17.71 N +ATOM 4026 CA LYS A 526 -0.329 40.319 44.821 1.00 18.77 C +ATOM 4027 C LYS A 526 -0.757 40.445 46.282 1.00 20.76 C +ATOM 4028 O LYS A 526 -0.339 41.416 46.905 1.00 21.91 O +ATOM 4029 CB LYS A 526 1.124 39.828 44.753 1.00 19.03 C +ATOM 4030 CG LYS A 526 1.340 38.502 45.469 1.00 21.44 C +ATOM 4031 CD LYS A 526 2.729 37.924 45.140 1.00 23.53 C +ATOM 4032 CE LYS A 526 2.983 36.671 45.991 1.00 24.85 C +ATOM 4033 NZ LYS A 526 4.404 36.215 45.880 1.00 24.96 N +ATOM 4034 N LEU A 527 -1.565 39.490 46.757 1.00 21.14 N +ATOM 4035 CA LEU A 527 -2.043 39.297 48.095 1.00 21.04 C +ATOM 4036 C LEU A 527 -1.642 37.910 48.596 1.00 23.72 C +ATOM 4037 O LEU A 527 -1.659 36.944 47.828 1.00 21.63 O +ATOM 4038 CB LEU A 527 -3.568 39.345 48.239 1.00 22.35 C +ATOM 4039 CG LEU A 527 -4.223 40.659 47.895 1.00 23.99 C +ATOM 4040 CD1 LEU A 527 -4.584 40.637 46.411 1.00 31.15 C +ATOM 4041 CD2 LEU A 527 -5.442 40.930 48.757 1.00 27.51 C +ATOM 4042 N SER A 528 -1.296 37.822 49.870 1.00 24.25 N +ATOM 4043 CA SER A 528 -0.822 36.570 50.461 1.00 24.55 C +ATOM 4044 C SER A 528 -1.532 36.294 51.783 1.00 25.14 C +ATOM 4045 O SER A 528 -1.786 37.171 52.613 1.00 28.13 O +ATOM 4046 CB SER A 528 0.686 36.639 50.684 1.00 26.59 C +ATOM 4047 OG SER A 528 1.470 36.578 49.496 1.00 33.82 O +ATOM 4048 N LEU A 529 -1.899 35.039 52.008 1.00 23.93 N +ATOM 4049 CA LEU A 529 -2.408 34.555 53.288 1.00 21.80 C +ATOM 4050 C LEU A 529 -1.454 33.500 53.816 1.00 23.00 C +ATOM 4051 O LEU A 529 -0.939 32.652 53.086 1.00 26.09 O +ATOM 4052 CB LEU A 529 -3.789 33.940 53.163 1.00 22.28 C +ATOM 4053 CG LEU A 529 -4.955 34.889 52.899 1.00 25.07 C +ATOM 4054 CD1 LEU A 529 -6.246 34.096 52.805 1.00 25.07 C +ATOM 4055 CD2 LEU A 529 -5.059 35.936 53.997 1.00 32.36 C +ATOM 4056 N PHE A 530 -1.182 33.516 55.122 1.00 23.84 N +ATOM 4057 CA PHE A 530 -0.170 32.583 55.610 1.00 26.24 C +ATOM 4058 C PHE A 530 -0.753 31.366 56.314 1.00 24.42 C +ATOM 4059 O PHE A 530 -1.677 31.506 57.102 1.00 29.26 O +ATOM 4060 CB PHE A 530 0.806 33.352 56.520 1.00 28.54 C +ATOM 4061 CG PHE A 530 1.541 34.423 55.711 1.00 30.05 C +ATOM 4062 CD1 PHE A 530 2.707 34.126 55.042 1.00 32.74 C +ATOM 4063 CD2 PHE A 530 1.037 35.705 55.626 1.00 32.23 C +ATOM 4064 CE1 PHE A 530 3.372 35.084 54.288 1.00 32.86 C +ATOM 4065 CE2 PHE A 530 1.680 36.681 54.882 1.00 32.44 C +ATOM 4066 CZ PHE A 530 2.846 36.366 54.202 1.00 32.65 C +ATOM 4067 N PHE A 531 -0.212 30.208 55.976 1.00 25.60 N +ATOM 4068 CA PHE A 531 -0.578 28.917 56.524 1.00 30.08 C +ATOM 4069 C PHE A 531 0.072 28.721 57.895 1.00 31.94 C +ATOM 4070 O PHE A 531 1.155 29.259 58.138 1.00 31.22 O +ATOM 4071 CB PHE A 531 -0.088 27.776 55.640 1.00 31.22 C +ATOM 4072 CG PHE A 531 -1.016 27.253 54.569 1.00 33.74 C +ATOM 4073 CD1 PHE A 531 -2.253 26.707 54.840 1.00 33.24 C +ATOM 4074 CD2 PHE A 531 -0.595 27.320 53.244 1.00 34.23 C +ATOM 4075 CE1 PHE A 531 -3.066 26.213 53.842 1.00 31.99 C +ATOM 4076 CE2 PHE A 531 -1.407 26.818 52.248 1.00 34.19 C +ATOM 4077 CZ PHE A 531 -2.639 26.263 52.533 1.00 32.54 C +ATOM 4078 N GLU A 532 -0.574 27.946 58.749 1.00 32.87 N +ATOM 4079 CA GLU A 532 0.058 27.537 60.008 1.00 35.48 C +ATOM 4080 C GLU A 532 0.295 26.039 59.905 1.00 36.57 C +ATOM 4081 O GLU A 532 -0.701 25.324 59.774 1.00 34.24 O +ATOM 4082 CB GLU A 532 -0.812 27.908 61.202 1.00 37.20 C +ATOM 4083 CG GLU A 532 -0.161 27.737 62.563 1.00 41.19 C +ATOM 4084 CD GLU A 532 -1.146 27.818 63.711 1.00 42.84 C +ATOM 4085 OE1 GLU A 532 -2.327 28.193 63.503 1.00 44.09 O +ATOM 4086 OE2 GLU A 532 -0.750 27.521 64.858 1.00 49.42 O +ATOM 4087 N ILE A 533 1.538 25.556 59.924 1.00 38.86 N +ATOM 4088 CA ILE A 533 1.687 24.099 59.886 1.00 40.67 C +ATOM 4089 C ILE A 533 1.793 23.545 61.308 1.00 40.17 C +ATOM 4090 O ILE A 533 2.685 23.974 62.044 1.00 39.61 O +ATOM 4091 CB ILE A 533 2.903 23.617 59.088 1.00 42.86 C +ATOM 4092 CG1 ILE A 533 2.801 23.837 57.581 1.00 44.96 C +ATOM 4093 CG2 ILE A 533 3.155 22.144 59.397 1.00 48.37 C +ATOM 4094 CD1 ILE A 533 4.005 23.376 56.790 1.00 51.80 C +ATOM 4095 N LYS A 534 0.911 22.617 61.685 1.00 38.75 N +ATOM 4096 CA LYS A 534 0.968 22.033 63.026 1.00 38.70 C +ATOM 4097 C LYS A 534 0.294 20.669 63.098 1.00 39.60 C +ATOM 4098 O LYS A 534 -0.538 20.286 62.272 1.00 35.94 O +ATOM 4099 CB LYS A 534 0.327 22.958 64.061 1.00 38.88 C +ATOM 4100 CG LYS A 534 -1.177 23.120 63.986 1.00 37.70 C +ATOM 4101 CD LYS A 534 -1.625 24.384 64.704 1.00 39.37 C +ATOM 4102 CE LYS A 534 -3.042 24.269 65.215 1.00 40.24 C +ATOM 4103 NZ LYS A 534 -3.507 25.579 65.741 1.00 45.46 N +ATOM 4104 N SER A 535 0.640 19.892 64.129 1.00 40.37 N +ATOM 4105 CA SER A 535 -0.018 18.596 64.300 1.00 40.55 C +ATOM 4106 C SER A 535 -1.532 18.719 64.365 1.00 41.02 C +ATOM 4107 O SER A 535 -2.240 17.799 63.888 1.00 42.73 O +ATOM 4108 CB ASER A 535 0.512 17.948 65.591 0.51 40.64 C +ATOM 4109 CB BSER A 535 0.531 17.893 65.550 0.49 40.62 C +ATOM 4110 OG ASER A 535 0.177 18.770 66.717 0.51 39.48 O +ATOM 4111 OG BSER A 535 1.862 17.468 65.317 0.49 41.39 O +ATOM 4112 OXT SER A 535 -2.019 19.740 64.899 1.00 42.93 O +TER 4113 SER A 535 +END diff --git a/bench/main_benchmark/structures/SFB_OL_DTOX_1F0LA_1DDTA/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_DTOX_1F0LA_1DDTA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a3e2195a39365a45a19d2cd5a8b38491cda7bda4 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_DTOX_1F0LA_1DDTA/state_b.pdb @@ -0,0 +1,4023 @@ +ATOM 1 N GLY A 1 -2.159 56.306 56.722 1.00 52.87 N +ATOM 2 CA GLY A 1 -1.195 56.425 55.580 1.00 49.96 C +ATOM 3 C GLY A 1 0.091 55.603 55.630 1.00 48.62 C +ATOM 4 O GLY A 1 0.074 54.372 55.750 1.00 48.44 O +ATOM 5 N ALA A 2 1.218 56.286 55.499 1.00 45.12 N +ATOM 6 CA ALA A 2 2.513 55.637 55.528 1.00 45.22 C +ATOM 7 C ALA A 2 2.865 54.775 56.744 1.00 46.97 C +ATOM 8 O ALA A 2 3.739 53.903 56.625 1.00 49.54 O +ATOM 9 CB ALA A 2 3.620 56.660 55.317 1.00 51.20 C +ATOM 10 N ASP A 3 2.277 54.997 57.920 1.00 45.23 N +ATOM 11 CA ASP A 3 2.669 54.121 59.012 1.00 42.82 C +ATOM 12 C ASP A 3 1.789 52.906 59.188 1.00 39.78 C +ATOM 13 O ASP A 3 1.912 52.137 60.134 1.00 40.94 O +ATOM 14 CB ASP A 3 3.049 54.900 60.272 1.00 47.61 C +ATOM 15 CG ASP A 3 4.511 55.416 60.177 1.00 67.71 C +ATOM 16 OD1 ASP A 3 5.385 54.817 59.473 1.00 62.99 O +ATOM 17 OD2 ASP A 3 4.811 56.452 60.810 1.00 73.05 O +ATOM 18 N ASP A 4 1.026 52.668 58.129 1.00 37.33 N +ATOM 19 CA ASP A 4 0.094 51.551 58.000 1.00 36.31 C +ATOM 20 C ASP A 4 0.760 50.461 57.143 1.00 33.94 C +ATOM 21 O ASP A 4 0.353 49.295 57.149 1.00 33.76 O +ATOM 22 CB ASP A 4 -1.176 52.100 57.323 1.00 44.21 C +ATOM 23 CG ASP A 4 -1.926 53.129 58.191 1.00 51.58 C +ATOM 24 OD1 ASP A 4 -1.644 54.355 58.186 1.00 57.60 O +ATOM 25 OD2 ASP A 4 -2.823 52.685 58.934 1.00 56.67 O +ATOM 26 N VAL A 5 1.796 50.861 56.403 1.00 31.74 N +ATOM 27 CA VAL A 5 2.542 49.966 55.552 1.00 25.35 C +ATOM 28 C VAL A 5 4.034 49.916 55.858 1.00 26.30 C +ATOM 29 O VAL A 5 4.700 48.920 55.581 1.00 28.45 O +ATOM 30 CB VAL A 5 2.192 50.196 54.026 1.00 31.43 C +ATOM 31 CG1 VAL A 5 0.701 50.113 53.884 1.00 17.77 C +ATOM 32 CG2 VAL A 5 2.701 51.491 53.423 1.00 22.13 C +ATOM 33 N VAL A 6 4.590 50.928 56.499 1.00 24.65 N +ATOM 34 CA VAL A 6 6.035 50.885 56.705 1.00 26.24 C +ATOM 35 C VAL A 6 6.175 50.772 58.178 1.00 26.14 C +ATOM 36 O VAL A 6 5.391 51.369 58.916 1.00 32.92 O +ATOM 37 CB VAL A 6 6.756 52.226 56.320 1.00 32.79 C +ATOM 38 CG1 VAL A 6 8.237 52.187 56.726 1.00 27.62 C +ATOM 39 CG2 VAL A 6 6.719 52.468 54.813 1.00 35.77 C +ATOM 40 N ASP A 7 7.145 50.003 58.623 1.00 27.23 N +ATOM 41 CA ASP A 7 7.359 49.899 60.064 1.00 27.48 C +ATOM 42 C ASP A 7 8.659 50.660 60.305 1.00 28.52 C +ATOM 43 O ASP A 7 9.752 50.102 60.152 1.00 26.74 O +ATOM 44 CB ASP A 7 7.545 48.436 60.455 1.00 26.97 C +ATOM 45 CG ASP A 7 7.872 48.230 61.941 1.00 36.88 C +ATOM 46 OD1 ASP A 7 7.836 49.215 62.711 1.00 32.87 O +ATOM 47 OD2 ASP A 7 8.121 47.058 62.338 1.00 43.83 O +ATOM 48 N SER A 8 8.559 51.947 60.640 1.00 34.78 N +ATOM 49 CA SER A 8 9.775 52.757 60.876 1.00 35.61 C +ATOM 50 C SER A 8 10.640 52.346 62.082 1.00 32.30 C +ATOM 51 O SER A 8 11.866 52.490 62.049 1.00 34.69 O +ATOM 52 CB SER A 8 9.487 54.266 60.810 1.00 32.79 C +ATOM 53 OG SER A 8 8.206 54.540 61.357 1.00 54.53 O +ATOM 54 N SER A 9 10.069 51.706 63.094 1.00 33.43 N +ATOM 55 CA SER A 9 10.953 51.286 64.180 1.00 33.91 C +ATOM 56 C SER A 9 11.970 50.246 63.728 1.00 30.81 C +ATOM 57 O SER A 9 13.082 50.199 64.250 1.00 34.85 O +ATOM 58 CB SER A 9 10.200 50.858 65.470 1.00 40.28 C +ATOM 59 OG SER A 9 9.415 49.677 65.375 1.00 34.83 O +ATOM 60 N LYS A 10 11.668 49.499 62.672 1.00 32.36 N +ATOM 61 CA LYS A 10 12.626 48.475 62.225 1.00 29.45 C +ATOM 62 C LYS A 10 13.271 48.754 60.846 1.00 28.74 C +ATOM 63 O LYS A 10 13.813 47.883 60.147 1.00 26.25 O +ATOM 64 CB LYS A 10 11.940 47.105 62.221 1.00 40.68 C +ATOM 65 CG LYS A 10 11.061 46.715 63.440 1.00 41.82 C +ATOM 66 CD LYS A 10 11.851 46.600 64.747 1.00 52.55 C +ATOM 67 CE LYS A 10 11.397 45.426 65.643 1.00 53.62 C +ATOM 68 NZ LYS A 10 11.705 44.007 65.206 1.00 58.04 N +ATOM 69 N SER A 11 13.152 50.009 60.443 1.00 28.61 N +ATOM 70 CA SER A 11 13.771 50.483 59.229 1.00 25.94 C +ATOM 71 C SER A 11 15.021 51.210 59.738 1.00 28.12 C +ATOM 72 O SER A 11 14.991 51.802 60.825 1.00 26.75 O +ATOM 73 CB SER A 11 12.821 51.447 58.513 1.00 26.44 C +ATOM 74 OG SER A 11 11.658 50.833 57.942 1.00 27.70 O +ATOM 75 N PHE A 12 16.120 51.093 58.989 1.00 28.32 N +ATOM 76 CA PHE A 12 17.391 51.736 59.315 1.00 25.75 C +ATOM 77 C PHE A 12 18.188 52.018 58.048 1.00 27.90 C +ATOM 78 O PHE A 12 17.827 51.544 56.961 1.00 25.94 O +ATOM 79 CB PHE A 12 18.251 50.823 60.173 1.00 29.17 C +ATOM 80 CG PHE A 12 18.390 49.429 59.618 1.00 32.34 C +ATOM 81 CD1 PHE A 12 17.398 48.476 59.843 1.00 34.16 C +ATOM 82 CD2 PHE A 12 19.506 49.050 58.889 1.00 28.78 C +ATOM 83 CE1 PHE A 12 17.517 47.183 59.359 1.00 22.68 C +ATOM 84 CE2 PHE A 12 19.624 47.741 58.403 1.00 30.81 C +ATOM 85 CZ PHE A 12 18.628 46.803 58.642 1.00 21.27 C +ATOM 86 N VAL A 13 19.228 52.843 58.186 1.00 25.20 N +ATOM 87 CA VAL A 13 20.151 53.180 57.098 1.00 22.90 C +ATOM 88 C VAL A 13 21.442 52.462 57.446 1.00 23.20 C +ATOM 89 O VAL A 13 21.825 52.401 58.603 1.00 28.27 O +ATOM 90 CB VAL A 13 20.450 54.696 56.956 1.00 20.59 C +ATOM 91 CG1 VAL A 13 21.614 54.832 56.023 1.00 20.35 C +ATOM 92 CG2 VAL A 13 19.258 55.446 56.362 1.00 16.71 C +ATOM 93 N MET A 14 22.119 51.830 56.505 1.00 25.00 N +ATOM 94 CA MET A 14 23.349 51.125 56.867 1.00 24.56 C +ATOM 95 C MET A 14 24.419 51.423 55.831 1.00 26.16 C +ATOM 96 O MET A 14 24.153 51.613 54.653 1.00 25.53 O +ATOM 97 CB MET A 14 23.118 49.604 56.895 1.00 23.69 C +ATOM 98 CG MET A 14 24.325 48.844 57.319 1.00 24.04 C +ATOM 99 SD MET A 14 23.888 47.115 57.310 1.00 25.42 S +ATOM 100 CE MET A 14 25.414 46.311 57.479 1.00 6.25 C +ATOM 101 N GLU A 15 25.658 51.407 56.263 1.00 25.79 N +ATOM 102 CA GLU A 15 26.681 51.615 55.300 1.00 26.28 C +ATOM 103 C GLU A 15 27.184 50.220 54.997 1.00 24.91 C +ATOM 104 O GLU A 15 27.258 49.367 55.872 1.00 23.71 O +ATOM 105 CB GLU A 15 27.742 52.456 55.941 1.00 31.70 C +ATOM 106 CG GLU A 15 29.027 52.264 55.298 1.00 28.55 C +ATOM 107 CD GLU A 15 29.848 53.366 55.796 1.00 38.86 C +ATOM 108 OE1 GLU A 15 29.521 54.451 55.278 1.00 50.25 O +ATOM 109 OE2 GLU A 15 30.686 53.137 56.711 1.00 48.71 O +ATOM 110 N ASN A 16 27.457 49.973 53.723 1.00 23.01 N +ATOM 111 CA ASN A 16 27.896 48.667 53.269 1.00 21.39 C +ATOM 112 C ASN A 16 26.938 47.533 53.607 1.00 20.01 C +ATOM 113 O ASN A 16 27.340 46.455 54.083 1.00 21.06 O +ATOM 114 CB ASN A 16 29.343 48.361 53.661 1.00 22.86 C +ATOM 115 CG ASN A 16 30.344 49.322 52.994 1.00 33.31 C +ATOM 116 OD1 ASN A 16 30.284 49.611 51.783 1.00 32.86 O +ATOM 117 ND2 ASN A 16 31.232 49.879 53.815 1.00 44.05 N +ATOM 118 N PHE A 17 25.662 47.823 53.352 1.00 19.26 N +ATOM 119 CA PHE A 17 24.600 46.830 53.559 1.00 17.06 C +ATOM 120 C PHE A 17 24.860 45.590 52.687 1.00 21.72 C +ATOM 121 O PHE A 17 24.927 45.691 51.424 1.00 21.00 O +ATOM 122 CB PHE A 17 23.238 47.464 53.259 1.00 20.17 C +ATOM 123 CG PHE A 17 22.098 46.473 53.177 1.00 25.01 C +ATOM 124 CD1 PHE A 17 21.691 45.792 54.318 1.00 19.47 C +ATOM 125 CD2 PHE A 17 21.466 46.182 51.937 1.00 23.45 C +ATOM 126 CE1 PHE A 17 20.648 44.812 54.232 1.00 22.18 C +ATOM 127 CE2 PHE A 17 20.425 45.205 51.832 1.00 17.35 C +ATOM 128 CZ PHE A 17 20.015 44.520 52.982 1.00 21.25 C +ATOM 129 N SER A 18 24.914 44.428 53.364 1.00 21.04 N +ATOM 130 CA SER A 18 25.200 43.128 52.781 1.00 20.86 C +ATOM 131 C SER A 18 24.031 42.149 52.916 1.00 20.13 C +ATOM 132 O SER A 18 23.210 42.350 53.797 1.00 17.50 O +ATOM 133 CB SER A 18 26.460 42.557 53.444 1.00 17.39 C +ATOM 134 OG SER A 18 26.927 41.492 52.650 1.00 31.63 O +ATOM 135 N SER A 19 23.958 41.152 52.026 1.00 20.26 N +ATOM 136 CA SER A 19 22.938 40.084 52.017 1.00 20.67 C +ATOM 137 C SER A 19 23.344 38.876 51.159 1.00 21.77 C +ATOM 138 O SER A 19 24.438 38.866 50.587 1.00 20.45 O +ATOM 139 CB SER A 19 21.496 40.562 51.664 1.00 22.62 C +ATOM 140 OG SER A 19 21.363 41.229 50.429 1.00 23.00 O +ATOM 141 N TYR A 20 22.518 37.825 51.149 1.00 19.23 N +ATOM 142 CA TYR A 20 22.840 36.615 50.418 1.00 19.99 C +ATOM 143 C TYR A 20 21.822 36.309 49.337 1.00 17.99 C +ATOM 144 O TYR A 20 20.660 36.666 49.484 1.00 19.53 O +ATOM 145 CB TYR A 20 22.948 35.402 51.355 1.00 19.21 C +ATOM 146 CG TYR A 20 23.966 35.691 52.413 1.00 20.92 C +ATOM 147 CD1 TYR A 20 25.308 35.561 52.135 1.00 21.37 C +ATOM 148 CD2 TYR A 20 23.570 36.112 53.673 1.00 21.40 C +ATOM 149 CE1 TYR A 20 26.235 35.830 53.054 1.00 26.86 C +ATOM 150 CE2 TYR A 20 24.485 36.391 54.626 1.00 24.69 C +ATOM 151 CZ TYR A 20 25.821 36.249 54.311 1.00 28.83 C +ATOM 152 OH TYR A 20 26.781 36.555 55.253 1.00 27.44 O +ATOM 153 N HIS A 21 22.308 35.618 48.309 1.00 16.89 N +ATOM 154 CA HIS A 21 21.526 35.209 47.165 1.00 16.63 C +ATOM 155 C HIS A 21 21.885 33.744 46.844 1.00 16.43 C +ATOM 156 O HIS A 21 23.058 33.395 46.632 1.00 16.68 O +ATOM 157 CB HIS A 21 21.747 36.204 45.976 1.00 17.41 C +ATOM 158 CG HIS A 21 20.961 35.857 44.735 1.00 17.56 C +ATOM 159 ND1 HIS A 21 19.654 36.261 44.536 1.00 22.52 N +ATOM 160 CD2 HIS A 21 21.263 35.055 43.685 1.00 13.06 C +ATOM 161 CE1 HIS A 21 19.184 35.718 43.421 1.00 23.11 C +ATOM 162 NE2 HIS A 21 20.142 34.977 42.886 1.00 14.36 N +ATOM 163 N GLY A 22 20.888 32.847 46.855 1.00 18.11 N +ATOM 164 CA GLY A 22 21.180 31.469 46.498 1.00 17.27 C +ATOM 165 C GLY A 22 21.307 31.468 44.971 1.00 20.45 C +ATOM 166 O GLY A 22 20.449 32.061 44.336 1.00 20.21 O +ATOM 167 N THR A 23 22.323 30.814 44.384 1.00 23.30 N +ATOM 168 CA THR A 23 22.626 30.727 42.939 1.00 19.89 C +ATOM 169 C THR A 23 22.667 29.317 42.411 1.00 18.26 C +ATOM 170 O THR A 23 23.238 28.404 43.028 1.00 17.18 O +ATOM 171 CB THR A 23 23.985 31.320 42.689 1.00 15.56 C +ATOM 172 OG1 THR A 23 24.021 32.553 43.391 1.00 17.96 O +ATOM 173 CG2 THR A 23 24.152 31.716 41.300 1.00 15.33 C +ATOM 174 N LYS A 24 22.051 29.148 41.250 1.00 20.48 N +ATOM 175 CA LYS A 24 22.030 27.816 40.643 1.00 20.41 C +ATOM 176 C LYS A 24 23.292 27.322 39.939 1.00 20.25 C +ATOM 177 O LYS A 24 24.167 28.125 39.612 1.00 19.01 O +ATOM 178 CB LYS A 24 20.776 27.720 39.792 1.00 21.84 C +ATOM 179 CG LYS A 24 19.628 27.903 40.796 1.00 21.25 C +ATOM 180 CD LYS A 24 18.319 27.321 40.343 1.00 32.12 C +ATOM 181 CE LYS A 24 17.226 27.495 41.404 1.00 24.15 C +ATOM 182 NZ LYS A 24 17.005 28.852 41.980 1.00 25.34 N +ATOM 183 N PRO A 25 23.487 25.989 39.833 1.00 17.72 N +ATOM 184 CA PRO A 25 24.678 25.469 39.149 1.00 19.02 C +ATOM 185 C PRO A 25 24.699 26.097 37.751 1.00 24.78 C +ATOM 186 O PRO A 25 23.689 26.080 37.023 1.00 27.90 O +ATOM 187 CB PRO A 25 24.419 23.969 39.085 1.00 19.91 C +ATOM 188 CG PRO A 25 23.568 23.732 40.262 1.00 18.43 C +ATOM 189 CD PRO A 25 22.598 24.875 40.195 1.00 17.85 C +ATOM 190 N GLY A 26 25.815 26.713 37.378 1.00 24.81 N +ATOM 191 CA GLY A 26 25.848 27.407 36.110 1.00 21.54 C +ATOM 192 C GLY A 26 25.976 28.907 36.300 1.00 23.50 C +ATOM 193 O GLY A 26 26.512 29.569 35.398 1.00 27.65 O +ATOM 194 N TYR A 27 25.632 29.447 37.468 1.00 22.46 N +ATOM 195 CA TYR A 27 25.746 30.882 37.660 1.00 18.21 C +ATOM 196 C TYR A 27 26.609 31.384 38.778 1.00 18.61 C +ATOM 197 O TYR A 27 26.635 32.597 38.962 1.00 21.27 O +ATOM 198 CB TYR A 27 24.371 31.485 37.881 1.00 15.51 C +ATOM 199 CG TYR A 27 23.421 31.165 36.754 1.00 20.90 C +ATOM 200 CD1 TYR A 27 22.692 29.995 36.761 1.00 21.24 C +ATOM 201 CD2 TYR A 27 23.332 31.986 35.626 1.00 22.53 C +ATOM 202 CE1 TYR A 27 21.899 29.629 35.684 1.00 26.61 C +ATOM 203 CE2 TYR A 27 22.567 31.626 34.535 1.00 27.19 C +ATOM 204 CZ TYR A 27 21.836 30.442 34.566 1.00 31.93 C +ATOM 205 OH TYR A 27 21.005 30.075 33.507 1.00 27.20 O +ATOM 206 N VAL A 28 27.266 30.504 39.534 1.00 22.93 N +ATOM 207 CA VAL A 28 28.063 30.940 40.689 1.00 24.13 C +ATOM 208 C VAL A 28 29.197 31.878 40.305 1.00 24.22 C +ATOM 209 O VAL A 28 29.533 32.844 40.976 1.00 25.28 O +ATOM 210 CB VAL A 28 28.568 29.742 41.510 1.00 18.18 C +ATOM 211 CG1 VAL A 28 29.392 30.241 42.686 1.00 20.30 C +ATOM 212 CG2 VAL A 28 27.356 28.981 42.024 1.00 14.34 C +ATOM 213 N ASP A 29 29.735 31.618 39.135 1.00 25.10 N +ATOM 214 CA ASP A 29 30.796 32.430 38.630 1.00 22.81 C +ATOM 215 C ASP A 29 30.326 33.671 37.914 1.00 22.65 C +ATOM 216 O ASP A 29 30.686 34.799 38.254 1.00 27.36 O +ATOM 217 CB ASP A 29 31.659 31.520 37.771 1.00 31.55 C +ATOM 218 CG ASP A 29 32.597 30.647 38.631 1.00 42.26 C +ATOM 219 OD1 ASP A 29 33.351 31.277 39.420 1.00 58.78 O +ATOM 220 OD2 ASP A 29 32.592 29.379 38.558 1.00 53.49 O +ATOM 221 N SER A 30 29.453 33.485 36.948 1.00 20.36 N +ATOM 222 CA SER A 30 28.948 34.635 36.222 1.00 23.76 C +ATOM 223 C SER A 30 28.205 35.674 37.025 1.00 20.95 C +ATOM 224 O SER A 30 28.196 36.817 36.609 1.00 23.06 O +ATOM 225 CB SER A 30 28.047 34.177 35.068 1.00 22.24 C +ATOM 226 OG SER A 30 27.022 33.318 35.506 1.00 25.66 O +ATOM 227 N ILE A 31 27.466 35.288 38.070 1.00 24.24 N +ATOM 228 CA ILE A 31 26.721 36.280 38.871 1.00 22.07 C +ATOM 229 C ILE A 31 27.756 37.153 39.599 1.00 23.00 C +ATOM 230 O ILE A 31 27.499 38.304 39.916 1.00 25.41 O +ATOM 231 CB ILE A 31 25.770 35.626 39.911 1.00 16.07 C +ATOM 232 CG1 ILE A 31 24.859 36.684 40.529 1.00 15.42 C +ATOM 233 CG2 ILE A 31 26.573 34.955 41.035 1.00 22.18 C +ATOM 234 CD1 ILE A 31 23.680 36.056 41.267 1.00 18.53 C +ATOM 235 N GLN A 32 28.957 36.630 39.819 1.00 22.11 N +ATOM 236 CA GLN A 32 29.996 37.395 40.467 1.00 22.64 C +ATOM 237 C GLN A 32 30.483 38.564 39.611 1.00 27.93 C +ATOM 238 O GLN A 32 31.062 39.536 40.126 1.00 24.61 O +ATOM 239 CB GLN A 32 31.111 36.445 40.846 1.00 21.74 C +ATOM 240 CG GLN A 32 30.627 35.514 41.972 1.00 17.30 C +ATOM 241 CD GLN A 32 31.765 34.693 42.465 1.00 27.56 C +ATOM 242 OE1 GLN A 32 32.760 35.270 42.888 1.00 30.72 O +ATOM 243 NE2 GLN A 32 31.661 33.366 42.413 1.00 29.81 N +ATOM 244 N LYS A 33 30.112 38.521 38.325 1.00 28.13 N +ATOM 245 CA LYS A 33 30.453 39.559 37.350 1.00 25.60 C +ATOM 246 C LYS A 33 29.479 40.719 37.547 1.00 24.98 C +ATOM 247 O LYS A 33 29.748 41.838 37.113 1.00 29.26 O +ATOM 248 CB LYS A 33 30.498 39.019 35.892 1.00 22.18 C +ATOM 249 CG LYS A 33 31.520 37.897 35.703 1.00 20.85 C +ATOM 250 CD LYS A 33 31.757 37.327 34.301 1.00 38.88 C +ATOM 251 CE LYS A 33 30.594 36.453 33.794 1.00 51.08 C +ATOM 252 NZ LYS A 33 30.819 35.551 32.619 1.00 43.21 N +ATOM 253 N GLY A 34 28.401 40.522 38.301 1.00 23.41 N +ATOM 254 CA GLY A 34 27.518 41.648 38.536 1.00 23.48 C +ATOM 255 C GLY A 34 26.062 41.319 38.443 1.00 22.29 C +ATOM 256 O GLY A 34 25.700 40.436 37.670 1.00 25.35 O +ATOM 257 N ILE A 35 25.235 42.041 39.182 1.00 22.38 N +ATOM 258 CA ILE A 35 23.797 41.762 39.173 1.00 23.52 C +ATOM 259 C ILE A 35 23.051 42.484 38.069 1.00 25.08 C +ATOM 260 O ILE A 35 23.120 43.720 37.971 1.00 25.02 O +ATOM 261 CB ILE A 35 23.135 42.133 40.486 1.00 21.11 C +ATOM 262 CG1 ILE A 35 23.911 41.528 41.671 1.00 18.00 C +ATOM 263 CG2 ILE A 35 21.670 41.840 40.399 1.00 21.54 C +ATOM 264 CD1 ILE A 35 24.005 40.079 41.648 1.00 15.47 C +ATOM 265 N GLN A 36 22.262 41.707 37.323 1.00 24.67 N +ATOM 266 CA GLN A 36 21.570 42.257 36.167 1.00 25.91 C +ATOM 267 C GLN A 36 20.260 41.503 35.923 1.00 20.95 C +ATOM 268 O GLN A 36 20.201 40.263 35.982 1.00 21.33 O +ATOM 269 CB GLN A 36 22.568 42.139 34.974 1.00 28.88 C +ATOM 270 CG GLN A 36 22.537 43.226 33.853 1.00 51.73 C +ATOM 271 CD GLN A 36 21.199 43.388 33.050 1.00 65.16 C +ATOM 272 OE1 GLN A 36 20.675 44.511 32.874 1.00 64.13 O +ATOM 273 NE2 GLN A 36 20.676 42.273 32.517 1.00 67.62 N +ATOM 274 N LYS A 37 19.209 42.261 35.645 1.00 20.07 N +ATOM 275 CA LYS A 37 17.910 41.656 35.377 1.00 22.22 C +ATOM 276 C LYS A 37 18.054 40.699 34.199 1.00 25.30 C +ATOM 277 O LYS A 37 18.373 41.125 33.085 1.00 27.25 O +ATOM 278 CB LYS A 37 16.849 42.701 34.989 1.00 18.32 C +ATOM 279 CG LYS A 37 15.453 42.125 34.829 1.00 16.66 C +ATOM 280 CD LYS A 37 14.461 43.164 34.457 1.00 14.80 C +ATOM 281 CE LYS A 37 14.920 43.707 33.136 1.00 20.98 C +ATOM 282 NZ LYS A 37 13.798 44.427 32.488 1.00 28.70 N +ATOM 283 N PRO A 38 17.777 39.408 34.408 1.00 26.34 N +ATOM 284 CA PRO A 38 17.894 38.447 33.302 1.00 21.94 C +ATOM 285 C PRO A 38 16.872 38.676 32.181 1.00 21.58 C +ATOM 286 O PRO A 38 15.828 39.315 32.406 1.00 21.25 O +ATOM 287 CB PRO A 38 17.685 37.095 33.977 1.00 23.55 C +ATOM 288 CG PRO A 38 17.799 37.359 35.485 1.00 29.18 C +ATOM 289 CD PRO A 38 17.311 38.764 35.659 1.00 26.88 C +ATOM 290 N LYS A 39 17.198 38.143 30.998 1.00 23.35 N +ATOM 291 CA LYS A 39 16.369 38.217 29.784 1.00 23.21 C +ATOM 292 C LYS A 39 15.316 37.133 29.670 1.00 24.77 C +ATOM 293 O LYS A 39 14.362 37.276 28.942 1.00 30.75 O +ATOM 294 CB LYS A 39 17.270 38.063 28.601 1.00 22.25 C +ATOM 295 CG LYS A 39 18.407 38.960 28.753 1.00 31.07 C +ATOM 296 CD LYS A 39 18.117 40.296 28.138 1.00 47.22 C +ATOM 297 CE LYS A 39 19.455 41.037 27.951 1.00 62.12 C +ATOM 298 NZ LYS A 39 20.395 40.241 27.085 1.00 61.30 N +ATOM 299 N SER A 40 15.541 36.034 30.367 1.00 24.30 N +ATOM 300 CA SER A 40 14.682 34.874 30.429 1.00 23.81 C +ATOM 301 C SER A 40 14.140 34.731 31.865 1.00 23.92 C +ATOM 302 O SER A 40 14.849 34.951 32.848 1.00 27.31 O +ATOM 303 CB SER A 40 15.559 33.665 30.133 1.00 20.43 C +ATOM 304 OG SER A 40 14.779 32.499 30.064 1.00 29.67 O +ATOM 305 N GLY A 41 12.871 34.373 31.997 1.00 23.42 N +ATOM 306 CA GLY A 41 12.273 34.154 33.293 1.00 22.98 C +ATOM 307 C GLY A 41 11.380 35.273 33.764 1.00 20.21 C +ATOM 308 O GLY A 41 11.412 36.342 33.145 1.00 24.73 O +ATOM 309 N THR A 42 10.774 35.079 34.936 1.00 18.48 N +ATOM 310 CA THR A 42 9.864 36.032 35.564 1.00 18.64 C +ATOM 311 C THR A 42 10.533 37.236 36.252 1.00 19.21 C +ATOM 312 O THR A 42 9.842 38.097 36.779 1.00 21.21 O +ATOM 313 CB THR A 42 8.855 35.319 36.534 1.00 19.25 C +ATOM 314 OG1 THR A 42 9.528 34.275 37.235 1.00 23.44 O +ATOM 315 CG2 THR A 42 7.754 34.619 35.786 1.00 13.82 C +ATOM 316 N GLN A 43 11.860 37.304 36.241 1.00 19.01 N +ATOM 317 CA GLN A 43 12.603 38.431 36.822 1.00 20.07 C +ATOM 318 C GLN A 43 12.294 38.815 38.274 1.00 16.35 C +ATOM 319 O GLN A 43 12.213 40.000 38.603 1.00 13.34 O +ATOM 320 CB GLN A 43 12.471 39.654 35.917 1.00 21.21 C +ATOM 321 CG GLN A 43 13.140 39.426 34.580 1.00 28.39 C +ATOM 322 CD GLN A 43 12.521 40.243 33.436 1.00 22.19 C +ATOM 323 OE1 GLN A 43 11.423 40.806 33.577 1.00 20.29 O +ATOM 324 NE2 GLN A 43 13.203 40.269 32.296 1.00 19.01 N +ATOM 325 N GLY A 44 12.117 37.786 39.109 1.00 15.35 N +ATOM 326 CA GLY A 44 11.870 38.014 40.503 1.00 15.01 C +ATOM 327 C GLY A 44 10.458 37.748 40.953 1.00 16.97 C +ATOM 328 O GLY A 44 10.237 37.436 42.130 1.00 18.54 O +ATOM 329 N ASN A 45 9.503 37.925 40.054 1.00 16.49 N +ATOM 330 CA ASN A 45 8.128 37.663 40.384 1.00 14.93 C +ATOM 331 C ASN A 45 7.217 37.455 39.202 1.00 17.38 C +ATOM 332 O ASN A 45 7.418 38.029 38.155 1.00 18.62 O +ATOM 333 CB ASN A 45 7.524 38.769 41.280 1.00 14.19 C +ATOM 334 CG ASN A 45 6.623 38.200 42.404 1.00 13.05 C +ATOM 335 OD1 ASN A 45 5.419 38.127 42.289 1.00 13.96 O +ATOM 336 ND2 ASN A 45 7.226 37.824 43.514 1.00 13.19 N +ATOM 337 N TYR A 46 6.196 36.642 39.444 1.00 18.67 N +ATOM 338 CA TYR A 46 5.080 36.448 38.539 1.00 18.02 C +ATOM 339 C TYR A 46 4.331 37.815 38.471 1.00 21.72 C +ATOM 340 O TYR A 46 3.810 38.216 37.438 1.00 18.53 O +ATOM 341 CB TYR A 46 4.140 35.440 39.191 1.00 16.58 C +ATOM 342 CG TYR A 46 2.746 35.489 38.626 1.00 14.88 C +ATOM 343 CD1 TYR A 46 2.486 34.834 37.413 1.00 26.32 C +ATOM 344 CD2 TYR A 46 1.716 36.212 39.228 1.00 16.24 C +ATOM 345 CE1 TYR A 46 1.224 34.893 36.774 1.00 19.37 C +ATOM 346 CE2 TYR A 46 0.464 36.286 38.611 1.00 9.94 C +ATOM 347 CZ TYR A 46 0.224 35.621 37.384 1.00 23.97 C +ATOM 348 OH TYR A 46 -0.972 35.587 36.690 1.00 18.91 O +ATOM 349 N ASP A 47 4.245 38.518 39.601 1.00 18.62 N +ATOM 350 CA ASP A 47 3.555 39.781 39.652 1.00 15.21 C +ATOM 351 C ASP A 47 4.523 40.893 39.328 1.00 17.94 C +ATOM 352 O ASP A 47 5.600 40.985 39.911 1.00 17.19 O +ATOM 353 CB ASP A 47 3.006 39.995 41.058 1.00 19.85 C +ATOM 354 CG ASP A 47 2.159 41.266 41.189 1.00 21.31 C +ATOM 355 OD1 ASP A 47 2.292 42.281 40.419 1.00 24.49 O +ATOM 356 OD2 ASP A 47 1.353 41.244 42.137 1.00 18.01 O +ATOM 357 N ASP A 48 4.101 41.747 38.401 1.00 18.37 N +ATOM 358 CA ASP A 48 4.863 42.907 37.937 1.00 18.86 C +ATOM 359 C ASP A 48 5.357 43.868 39.031 1.00 15.01 C +ATOM 360 O ASP A 48 6.460 44.449 39.017 1.00 16.73 O +ATOM 361 CB ASP A 48 4.014 43.690 36.900 1.00 26.07 C +ATOM 362 CG ASP A 48 4.136 43.163 35.437 1.00 26.28 C +ATOM 363 OD1 ASP A 48 5.214 42.698 35.010 1.00 39.14 O +ATOM 364 OD2 ASP A 48 3.162 43.240 34.661 1.00 41.59 O +ATOM 365 N ASP A 49 4.468 44.094 39.964 1.00 13.97 N +ATOM 366 CA ASP A 49 4.765 44.968 41.083 1.00 15.09 C +ATOM 367 C ASP A 49 5.909 44.450 41.908 1.00 14.55 C +ATOM 368 O ASP A 49 6.643 45.228 42.476 1.00 19.32 O +ATOM 369 CB ASP A 49 3.562 44.989 42.016 1.00 14.71 C +ATOM 370 CG ASP A 49 2.473 45.962 41.569 1.00 15.87 C +ATOM 371 OD1 ASP A 49 2.727 47.156 41.400 1.00 26.30 O +ATOM 372 OD2 ASP A 49 1.318 45.586 41.418 1.00 20.77 O +ATOM 373 N TRP A 50 6.132 43.147 41.855 1.00 16.50 N +ATOM 374 CA TRP A 50 7.152 42.527 42.657 1.00 15.73 C +ATOM 375 C TRP A 50 8.373 42.059 41.932 1.00 16.73 C +ATOM 376 O TRP A 50 9.187 41.419 42.552 1.00 15.98 O +ATOM 377 CB TRP A 50 6.546 41.389 43.545 1.00 14.89 C +ATOM 378 CG TRP A 50 5.601 41.876 44.572 1.00 11.46 C +ATOM 379 CD1 TRP A 50 4.279 41.684 44.547 1.00 14.46 C +ATOM 380 CD2 TRP A 50 5.864 42.727 45.720 1.00 13.12 C +ATOM 381 NE1 TRP A 50 3.680 42.356 45.586 1.00 16.36 N +ATOM 382 CE2 TRP A 50 4.630 43.000 46.328 1.00 11.79 C +ATOM 383 CE3 TRP A 50 7.018 43.277 46.286 1.00 14.87 C +ATOM 384 CZ2 TRP A 50 4.504 43.796 47.501 1.00 11.95 C +ATOM 385 CZ3 TRP A 50 6.897 44.054 47.422 1.00 14.23 C +ATOM 386 CH2 TRP A 50 5.657 44.306 48.020 1.00 9.63 C +ATOM 387 N LYS A 51 8.550 42.407 40.657 1.00 16.56 N +ATOM 388 CA LYS A 51 9.763 42.043 39.932 1.00 17.55 C +ATOM 389 C LYS A 51 10.994 42.838 40.465 1.00 16.59 C +ATOM 390 O LYS A 51 10.958 44.067 40.602 1.00 19.42 O +ATOM 391 CB LYS A 51 9.563 42.205 38.405 1.00 15.92 C +ATOM 392 CG LYS A 51 8.640 41.191 37.843 1.00 13.47 C +ATOM 393 CD LYS A 51 8.317 41.362 36.407 1.00 16.05 C +ATOM 394 CE LYS A 51 7.160 40.405 36.062 1.00 12.36 C +ATOM 395 NZ LYS A 51 7.600 39.051 35.760 1.00 15.51 N +ATOM 396 N GLY A 52 12.094 42.134 40.731 1.00 16.96 N +ATOM 397 CA GLY A 52 13.302 42.736 41.274 1.00 14.19 C +ATOM 398 C GLY A 52 14.284 41.652 41.673 1.00 14.16 C +ATOM 399 O GLY A 52 14.013 40.480 41.507 1.00 16.98 O +ATOM 400 N PHE A 53 15.447 42.021 42.183 1.00 17.39 N +ATOM 401 CA PHE A 53 16.449 41.054 42.646 1.00 17.63 C +ATOM 402 C PHE A 53 16.208 40.691 44.130 1.00 14.90 C +ATOM 403 O PHE A 53 16.038 41.585 44.950 1.00 17.17 O +ATOM 404 CB PHE A 53 17.880 41.593 42.408 1.00 15.53 C +ATOM 405 CG PHE A 53 18.974 40.662 42.880 1.00 13.08 C +ATOM 406 CD1 PHE A 53 19.222 39.494 42.189 1.00 12.06 C +ATOM 407 CD2 PHE A 53 19.793 41.019 43.973 1.00 10.75 C +ATOM 408 CE1 PHE A 53 20.268 38.705 42.547 1.00 13.59 C +ATOM 409 CE2 PHE A 53 20.839 40.243 44.342 1.00 12.97 C +ATOM 410 CZ PHE A 53 21.090 39.077 43.622 1.00 16.54 C +ATOM 411 N TYR A 54 16.254 39.395 44.453 1.00 17.51 N +ATOM 412 CA TYR A 54 15.959 38.866 45.775 1.00 17.90 C +ATOM 413 C TYR A 54 17.147 38.336 46.502 1.00 17.29 C +ATOM 414 O TYR A 54 17.922 37.589 45.917 1.00 15.81 O +ATOM 415 CB TYR A 54 14.929 37.730 45.679 1.00 17.88 C +ATOM 416 CG TYR A 54 13.555 38.258 45.427 1.00 17.47 C +ATOM 417 CD1 TYR A 54 13.262 38.985 44.238 1.00 14.57 C +ATOM 418 CD2 TYR A 54 12.571 38.107 46.392 1.00 15.89 C +ATOM 419 CE1 TYR A 54 12.036 39.541 44.052 1.00 14.44 C +ATOM 420 CE2 TYR A 54 11.323 38.655 46.231 1.00 8.87 C +ATOM 421 CZ TYR A 54 11.083 39.362 45.056 1.00 16.79 C +ATOM 422 OH TYR A 54 9.832 39.862 44.905 1.00 19.30 O +ATOM 423 N SER A 55 17.225 38.753 47.774 1.00 18.91 N +ATOM 424 CA SER A 55 18.285 38.350 48.693 1.00 18.43 C +ATOM 425 C SER A 55 17.663 38.128 50.076 1.00 16.73 C +ATOM 426 O SER A 55 16.462 38.354 50.310 1.00 15.86 O +ATOM 427 CB SER A 55 19.442 39.388 48.718 1.00 13.54 C +ATOM 428 OG SER A 55 18.919 40.677 48.969 1.00 16.79 O +ATOM 429 N THR A 56 18.457 37.598 50.993 1.00 18.99 N +ATOM 430 CA THR A 56 17.990 37.342 52.356 1.00 17.72 C +ATOM 431 C THR A 56 19.164 37.613 53.291 1.00 17.53 C +ATOM 432 O THR A 56 20.331 37.500 52.909 1.00 19.66 O +ATOM 433 CB THR A 56 17.542 35.853 52.518 1.00 17.55 C +ATOM 434 OG1 THR A 56 17.243 35.520 53.889 1.00 14.41 O +ATOM 435 CG2 THR A 56 18.573 34.944 51.968 1.00 10.21 C +ATOM 436 N ASP A 57 18.868 37.971 54.525 1.00 18.61 N +ATOM 437 CA ASP A 57 19.924 38.187 55.511 1.00 20.64 C +ATOM 438 C ASP A 57 20.565 36.877 56.009 1.00 20.46 C +ATOM 439 O ASP A 57 21.628 36.875 56.653 1.00 20.62 O +ATOM 440 CB ASP A 57 19.387 39.001 56.693 1.00 18.68 C +ATOM 441 CG ASP A 57 18.458 38.215 57.561 1.00 24.53 C +ATOM 442 OD1 ASP A 57 17.734 37.322 57.039 1.00 18.46 O +ATOM 443 OD2 ASP A 57 18.452 38.512 58.775 1.00 28.68 O +ATOM 444 N ASN A 58 19.947 35.753 55.676 1.00 19.32 N +ATOM 445 CA ASN A 58 20.428 34.434 56.103 1.00 15.95 C +ATOM 446 C ASN A 58 20.959 33.556 54.950 1.00 17.46 C +ATOM 447 O ASN A 58 20.202 33.114 54.057 1.00 20.73 O +ATOM 448 CB ASN A 58 19.295 33.737 56.864 1.00 14.19 C +ATOM 449 CG ASN A 58 19.753 32.462 57.555 1.00 14.28 C +ATOM 450 OD1 ASN A 58 20.336 31.542 56.968 1.00 18.72 O +ATOM 451 ND2 ASN A 58 19.431 32.394 58.832 1.00 17.50 N +ATOM 452 N LYS A 59 22.255 33.279 55.022 1.00 19.05 N +ATOM 453 CA LYS A 59 23.001 32.514 54.039 1.00 19.56 C +ATOM 454 C LYS A 59 22.553 31.088 53.959 1.00 18.83 C +ATOM 455 O LYS A 59 22.667 30.523 52.890 1.00 16.02 O +ATOM 456 CB LYS A 59 24.508 32.633 54.282 1.00 25.03 C +ATOM 457 CG LYS A 59 25.043 31.891 55.505 1.00 16.93 C +ATOM 458 CD LYS A 59 26.455 32.371 55.727 1.00 17.87 C +ATOM 459 CE LYS A 59 27.051 31.604 56.942 1.00 31.00 C +ATOM 460 NZ LYS A 59 28.531 31.781 57.184 1.00 37.29 N +ATOM 461 N TYR A 60 22.016 30.529 55.049 1.00 20.55 N +ATOM 462 CA TYR A 60 21.463 29.167 55.021 1.00 21.80 C +ATOM 463 C TYR A 60 20.092 29.159 54.310 1.00 19.38 C +ATOM 464 O TYR A 60 19.703 28.163 53.690 1.00 18.73 O +ATOM 465 CB TYR A 60 21.378 28.556 56.439 1.00 19.51 C +ATOM 466 CG TYR A 60 22.702 28.603 57.181 1.00 18.60 C +ATOM 467 CD1 TYR A 60 23.779 27.895 56.707 1.00 15.36 C +ATOM 468 CD2 TYR A 60 22.884 29.428 58.292 1.00 16.10 C +ATOM 469 CE1 TYR A 60 25.002 28.001 57.281 1.00 21.86 C +ATOM 470 CE2 TYR A 60 24.089 29.530 58.881 1.00 19.14 C +ATOM 471 CZ TYR A 60 25.146 28.820 58.359 1.00 18.13 C +ATOM 472 OH TYR A 60 26.410 28.938 58.859 1.00 31.21 O +ATOM 473 N ASP A 61 19.333 30.241 54.468 1.00 18.93 N +ATOM 474 CA ASP A 61 18.095 30.414 53.727 1.00 20.55 C +ATOM 475 C ASP A 61 18.381 30.681 52.247 1.00 18.36 C +ATOM 476 O ASP A 61 17.696 30.143 51.394 1.00 16.49 O +ATOM 477 CB ASP A 61 17.218 31.481 54.356 1.00 19.37 C +ATOM 478 CG ASP A 61 16.512 30.951 55.555 1.00 17.83 C +ATOM 479 OD1 ASP A 61 16.019 29.824 55.463 1.00 21.23 O +ATOM 480 OD2 ASP A 61 16.449 31.674 56.554 1.00 19.00 O +ATOM 481 N ALA A 62 19.318 31.561 51.948 1.00 17.01 N +ATOM 482 CA ALA A 62 19.763 31.749 50.574 1.00 19.08 C +ATOM 483 C ALA A 62 20.099 30.379 49.962 1.00 22.30 C +ATOM 484 O ALA A 62 19.781 30.121 48.792 1.00 21.17 O +ATOM 485 CB ALA A 62 21.017 32.600 50.542 1.00 13.67 C +ATOM 486 N ALA A 63 20.825 29.522 50.698 1.00 23.40 N +ATOM 487 CA ALA A 63 21.195 28.192 50.187 1.00 21.83 C +ATOM 488 C ALA A 63 20.024 27.333 49.719 1.00 19.37 C +ATOM 489 O ALA A 63 20.218 26.487 48.867 1.00 22.54 O +ATOM 490 CB ALA A 63 22.093 27.383 51.145 1.00 23.75 C +ATOM 491 N GLY A 64 18.818 27.544 50.217 1.00 19.99 N +ATOM 492 CA GLY A 64 17.691 26.757 49.740 1.00 20.52 C +ATOM 493 C GLY A 64 17.177 27.130 48.348 1.00 21.80 C +ATOM 494 O GLY A 64 16.249 26.534 47.853 1.00 25.10 O +ATOM 495 N TYR A 65 17.742 28.143 47.717 1.00 21.95 N +ATOM 496 CA TYR A 65 17.371 28.573 46.373 1.00 18.70 C +ATOM 497 C TYR A 65 18.463 28.131 45.375 1.00 21.54 C +ATOM 498 O TYR A 65 18.477 28.607 44.221 1.00 22.67 O +ATOM 499 CB TYR A 65 17.374 30.112 46.328 1.00 13.07 C +ATOM 500 CG TYR A 65 16.200 30.780 46.979 1.00 18.60 C +ATOM 501 CD1 TYR A 65 14.981 30.838 46.344 1.00 12.78 C +ATOM 502 CD2 TYR A 65 16.310 31.329 48.256 1.00 19.67 C +ATOM 503 CE1 TYR A 65 13.897 31.409 46.943 1.00 19.74 C +ATOM 504 CE2 TYR A 65 15.231 31.924 48.885 1.00 16.89 C +ATOM 505 CZ TYR A 65 13.994 31.965 48.233 1.00 17.61 C +ATOM 506 OH TYR A 65 12.848 32.522 48.862 1.00 19.86 O +ATOM 507 N SER A 66 19.342 27.215 45.767 1.00 16.45 N +ATOM 508 CA SER A 66 20.467 26.901 44.916 1.00 16.45 C +ATOM 509 C SER A 66 20.386 25.617 44.132 1.00 17.73 C +ATOM 510 O SER A 66 21.320 25.304 43.408 1.00 18.29 O +ATOM 511 CB SER A 66 21.770 26.935 45.741 1.00 21.35 C +ATOM 512 OG SER A 66 21.875 25.872 46.698 1.00 22.54 O +ATOM 513 N VAL A 67 19.260 24.928 44.178 1.00 18.21 N +ATOM 514 CA VAL A 67 19.174 23.634 43.516 1.00 22.81 C +ATOM 515 C VAL A 67 18.744 23.708 42.076 1.00 21.66 C +ATOM 516 O VAL A 67 17.844 24.440 41.763 1.00 24.36 O +ATOM 517 CB VAL A 67 18.250 22.648 44.261 1.00 19.94 C +ATOM 518 CG1 VAL A 67 18.155 21.280 43.540 1.00 12.77 C +ATOM 519 CG2 VAL A 67 18.853 22.365 45.643 1.00 26.49 C +ATOM 520 N ASP A 68 19.436 22.982 41.213 1.00 25.36 N +ATOM 521 CA ASP A 68 19.136 22.898 39.792 1.00 23.68 C +ATOM 522 C ASP A 68 17.620 22.900 39.620 1.00 24.57 C +ATOM 523 O ASP A 68 16.895 22.035 40.088 1.00 23.81 O +ATOM 524 CB ASP A 68 19.754 21.594 39.288 1.00 32.02 C +ATOM 525 CG ASP A 68 19.208 21.161 37.947 1.00 34.78 C +ATOM 526 OD1 ASP A 68 18.644 22.032 37.244 1.00 29.98 O +ATOM 527 OD2 ASP A 68 19.352 19.952 37.628 1.00 34.40 O +ATOM 528 N ASN A 69 17.124 23.838 38.838 1.00 22.94 N +ATOM 529 CA ASN A 69 15.707 23.898 38.765 1.00 20.98 C +ATOM 530 C ASN A 69 15.050 22.784 38.022 1.00 25.42 C +ATOM 531 O ASN A 69 13.855 22.538 38.169 1.00 26.07 O +ATOM 532 CB ASN A 69 15.311 25.210 38.167 1.00 27.53 C +ATOM 533 CG ASN A 69 13.960 25.618 38.671 1.00 50.36 C +ATOM 534 OD1 ASN A 69 13.049 25.762 37.857 1.00 62.73 O +ATOM 535 ND2 ASN A 69 13.774 25.684 40.015 1.00 47.73 N +ATOM 536 N GLU A 70 15.835 22.107 37.202 1.00 26.25 N +ATOM 537 CA GLU A 70 15.305 20.984 36.456 1.00 28.67 C +ATOM 538 C GLU A 70 15.126 19.722 37.302 1.00 27.17 C +ATOM 539 O GLU A 70 14.309 18.903 36.916 1.00 26.87 O +ATOM 540 CB GLU A 70 16.193 20.656 35.235 1.00 36.07 C +ATOM 541 CG GLU A 70 16.276 21.761 34.196 1.00 44.20 C +ATOM 542 CD GLU A 70 14.914 22.412 33.921 1.00 61.05 C +ATOM 543 OE1 GLU A 70 13.956 21.685 33.498 1.00 64.17 O +ATOM 544 OE2 GLU A 70 14.840 23.654 34.165 1.00 68.41 O +ATOM 545 N ASN A 71 15.883 19.547 38.390 1.00 25.31 N +ATOM 546 CA ASN A 71 15.759 18.362 39.248 1.00 24.58 C +ATOM 547 C ASN A 71 15.823 18.992 40.611 1.00 24.95 C +ATOM 548 O ASN A 71 16.825 18.895 41.297 1.00 27.44 O +ATOM 549 CB ASN A 71 16.980 17.488 39.043 1.00 29.41 C +ATOM 550 CG ASN A 71 17.066 17.018 37.623 1.00 34.64 C +ATOM 551 OD1 ASN A 71 16.253 16.199 37.227 1.00 33.53 O +ATOM 552 ND2 ASN A 71 17.971 17.584 36.826 1.00 23.32 N +ATOM 553 N PRO A 72 14.744 19.644 41.042 1.00 25.87 N +ATOM 554 CA PRO A 72 14.808 20.291 42.339 1.00 20.78 C +ATOM 555 C PRO A 72 14.866 19.394 43.542 1.00 27.61 C +ATOM 556 O PRO A 72 15.451 19.802 44.544 1.00 27.65 O +ATOM 557 CB PRO A 72 13.635 21.204 42.263 1.00 16.19 C +ATOM 558 CG PRO A 72 12.658 20.347 41.655 1.00 17.54 C +ATOM 559 CD PRO A 72 13.406 19.796 40.474 1.00 16.94 C +ATOM 560 N LEU A 73 14.402 18.152 43.394 1.00 28.69 N +ATOM 561 CA LEU A 73 14.400 17.213 44.491 1.00 27.25 C +ATOM 562 C LEU A 73 15.772 16.627 44.735 1.00 32.26 C +ATOM 563 O LEU A 73 16.141 16.501 45.896 1.00 35.96 O +ATOM 564 CB LEU A 73 13.437 16.052 44.261 1.00 24.36 C +ATOM 565 CG LEU A 73 11.947 16.323 44.173 1.00 19.65 C +ATOM 566 CD1 LEU A 73 11.122 15.065 44.063 1.00 18.95 C +ATOM 567 CD2 LEU A 73 11.617 17.044 45.414 1.00 26.52 C +ATOM 568 N SER A 74 16.535 16.277 43.699 1.00 31.97 N +ATOM 569 CA SER A 74 17.847 15.623 43.866 1.00 29.05 C +ATOM 570 C SER A 74 19.073 16.132 43.085 1.00 30.35 C +ATOM 571 O SER A 74 20.122 15.464 43.082 1.00 32.90 O +ATOM 572 CB SER A 74 17.667 14.158 43.493 1.00 31.33 C +ATOM 573 OG SER A 74 17.328 14.044 42.116 1.00 26.77 O +ATOM 574 N GLY A 75 18.937 17.268 42.391 1.00 27.13 N +ATOM 575 CA GLY A 75 20.012 17.830 41.597 1.00 22.78 C +ATOM 576 C GLY A 75 21.057 18.524 42.440 1.00 23.77 C +ATOM 577 O GLY A 75 20.962 18.706 43.649 1.00 25.04 O +ATOM 578 N LYS A 76 22.070 19.005 41.749 1.00 25.50 N +ATOM 579 CA LYS A 76 23.185 19.679 42.369 1.00 23.47 C +ATOM 580 C LYS A 76 22.693 21.034 42.813 1.00 23.57 C +ATOM 581 O LYS A 76 21.820 21.643 42.194 1.00 23.64 O +ATOM 582 CB LYS A 76 24.338 19.886 41.352 1.00 33.64 C +ATOM 583 CG LYS A 76 24.868 18.608 40.655 1.00 29.65 C +ATOM 584 CD LYS A 76 24.788 17.367 41.552 1.00 35.71 C +ATOM 585 CE LYS A 76 25.508 16.149 40.941 1.00 49.80 C +ATOM 586 NZ LYS A 76 25.779 14.933 41.821 1.00 39.24 N +ATOM 587 N ALA A 77 23.355 21.519 43.850 1.00 23.98 N +ATOM 588 CA ALA A 77 23.082 22.829 44.412 1.00 20.57 C +ATOM 589 C ALA A 77 24.307 23.571 43.905 1.00 19.04 C +ATOM 590 O ALA A 77 25.374 22.963 43.740 1.00 20.56 O +ATOM 591 CB ALA A 77 23.063 22.744 45.954 1.00 14.62 C +ATOM 592 N GLY A 78 24.125 24.837 43.562 1.00 18.19 N +ATOM 593 CA GLY A 78 25.223 25.627 43.064 1.00 20.81 C +ATOM 594 C GLY A 78 25.998 26.338 44.149 1.00 24.51 C +ATOM 595 O GLY A 78 27.113 25.937 44.477 1.00 25.36 O +ATOM 596 N GLY A 79 25.434 27.408 44.704 1.00 22.72 N +ATOM 597 CA GLY A 79 26.119 28.138 45.767 1.00 22.00 C +ATOM 598 C GLY A 79 25.413 29.337 46.368 1.00 22.66 C +ATOM 599 O GLY A 79 24.213 29.544 46.174 1.00 24.34 O +ATOM 600 N VAL A 80 26.147 30.114 47.165 1.00 25.42 N +ATOM 601 CA VAL A 80 25.623 31.337 47.791 1.00 21.64 C +ATOM 602 C VAL A 80 26.633 32.463 47.495 1.00 19.65 C +ATOM 603 O VAL A 80 27.843 32.287 47.541 1.00 18.65 O +ATOM 604 CB VAL A 80 25.392 31.171 49.380 1.00 17.85 C +ATOM 605 CG1 VAL A 80 24.825 32.451 50.037 1.00 8.51 C +ATOM 606 CG2 VAL A 80 24.466 29.965 49.693 1.00 16.72 C +ATOM 607 N VAL A 81 26.141 33.652 47.200 1.00 19.14 N +ATOM 608 CA VAL A 81 27.064 34.738 47.016 1.00 20.50 C +ATOM 609 C VAL A 81 26.586 35.833 47.953 1.00 21.52 C +ATOM 610 O VAL A 81 25.417 35.962 48.268 1.00 20.26 O +ATOM 611 CB VAL A 81 27.042 35.317 45.556 1.00 19.09 C +ATOM 612 CG1 VAL A 81 27.721 34.343 44.554 1.00 16.27 C +ATOM 613 CG2 VAL A 81 25.615 35.758 45.149 1.00 19.17 C +ATOM 614 N LYS A 82 27.494 36.678 48.392 1.00 23.38 N +ATOM 615 CA LYS A 82 27.088 37.794 49.217 1.00 20.04 C +ATOM 616 C LYS A 82 27.111 39.045 48.330 1.00 19.60 C +ATOM 617 O LYS A 82 28.081 39.302 47.645 1.00 21.65 O +ATOM 618 CB LYS A 82 28.088 37.912 50.366 1.00 16.06 C +ATOM 619 CG LYS A 82 27.873 39.097 51.224 1.00 17.96 C +ATOM 620 CD LYS A 82 29.177 39.162 51.957 1.00 24.03 C +ATOM 621 CE LYS A 82 28.880 39.369 53.395 1.00 35.29 C +ATOM 622 NZ LYS A 82 30.126 39.691 54.139 1.00 50.70 N +ATOM 623 N VAL A 83 26.055 39.838 48.321 1.00 19.49 N +ATOM 624 CA VAL A 83 25.994 41.049 47.525 1.00 19.76 C +ATOM 625 C VAL A 83 26.005 42.225 48.488 1.00 20.08 C +ATOM 626 O VAL A 83 25.273 42.232 49.498 1.00 21.27 O +ATOM 627 CB VAL A 83 24.726 41.044 46.648 1.00 18.29 C +ATOM 628 CG1 VAL A 83 24.816 39.850 45.664 1.00 12.34 C +ATOM 629 CG2 VAL A 83 23.480 40.868 47.506 1.00 14.81 C +ATOM 630 N THR A 84 26.793 43.242 48.156 1.00 19.48 N +ATOM 631 CA THR A 84 26.928 44.393 49.044 1.00 22.66 C +ATOM 632 C THR A 84 26.718 45.681 48.262 1.00 22.60 C +ATOM 633 O THR A 84 27.156 45.801 47.124 1.00 25.25 O +ATOM 634 CB THR A 84 28.362 44.417 49.692 1.00 16.25 C +ATOM 635 OG1 THR A 84 28.600 43.161 50.324 1.00 19.55 O +ATOM 636 CG2 THR A 84 28.578 45.624 50.635 1.00 15.06 C +ATOM 637 N TYR A 85 26.030 46.635 48.871 1.00 21.63 N +ATOM 638 CA TYR A 85 25.805 47.950 48.291 1.00 21.34 C +ATOM 639 C TYR A 85 26.837 48.885 48.900 1.00 28.93 C +ATOM 640 O TYR A 85 26.954 49.037 50.136 1.00 24.87 O +ATOM 641 CB TYR A 85 24.496 48.575 48.721 1.00 24.12 C +ATOM 642 CG TYR A 85 23.341 48.141 47.933 1.00 22.20 C +ATOM 643 CD1 TYR A 85 23.237 48.476 46.604 1.00 24.75 C +ATOM 644 CD2 TYR A 85 22.314 47.474 48.544 1.00 19.74 C +ATOM 645 CE1 TYR A 85 22.106 48.158 45.900 1.00 24.73 C +ATOM 646 CE2 TYR A 85 21.190 47.152 47.857 1.00 23.26 C +ATOM 647 CZ TYR A 85 21.072 47.490 46.536 1.00 22.09 C +ATOM 648 OH TYR A 85 19.907 47.124 45.873 1.00 26.90 O +ATOM 649 N PRO A 86 27.536 49.598 48.015 1.00 28.46 N +ATOM 650 CA PRO A 86 28.535 50.546 48.492 1.00 29.29 C +ATOM 651 C PRO A 86 27.802 51.789 49.045 1.00 22.00 C +ATOM 652 O PRO A 86 26.684 52.111 48.666 1.00 23.50 O +ATOM 653 CB PRO A 86 29.385 50.774 47.229 1.00 30.13 C +ATOM 654 CG PRO A 86 28.317 50.727 46.126 1.00 34.20 C +ATOM 655 CD PRO A 86 27.485 49.535 46.548 1.00 28.18 C +ATOM 656 N GLY A 87 28.375 52.400 50.072 1.00 21.35 N +ATOM 657 CA GLY A 87 27.744 53.580 50.594 1.00 21.00 C +ATOM 658 C GLY A 87 26.644 53.265 51.555 1.00 18.83 C +ATOM 659 O GLY A 87 26.746 52.291 52.289 1.00 20.30 O +ATOM 660 N LEU A 88 25.632 54.122 51.522 1.00 22.26 N +ATOM 661 CA LEU A 88 24.448 54.018 52.354 1.00 23.45 C +ATOM 662 C LEU A 88 23.194 53.487 51.660 1.00 22.84 C +ATOM 663 O LEU A 88 22.734 53.944 50.606 1.00 27.40 O +ATOM 664 CB LEU A 88 24.123 55.392 52.943 1.00 27.08 C +ATOM 665 CG LEU A 88 24.629 55.827 54.321 1.00 30.24 C +ATOM 666 CD1 LEU A 88 25.912 55.189 54.720 1.00 30.53 C +ATOM 667 CD2 LEU A 88 24.758 57.313 54.252 1.00 29.17 C +ATOM 668 N THR A 89 22.569 52.544 52.335 1.00 23.74 N +ATOM 669 CA THR A 89 21.376 51.969 51.791 1.00 23.16 C +ATOM 670 C THR A 89 20.314 52.054 52.893 1.00 25.01 C +ATOM 671 O THR A 89 20.609 51.787 54.056 1.00 23.56 O +ATOM 672 CB THR A 89 21.698 50.503 51.459 1.00 23.48 C +ATOM 673 OG1 THR A 89 22.865 50.392 50.621 1.00 27.13 O +ATOM 674 CG2 THR A 89 20.507 49.823 50.867 1.00 19.36 C +ATOM 675 N LYS A 90 19.093 52.463 52.541 1.00 23.41 N +ATOM 676 CA LYS A 90 17.923 52.450 53.420 1.00 21.61 C +ATOM 677 C LYS A 90 17.150 51.115 53.373 1.00 20.54 C +ATOM 678 O LYS A 90 16.614 50.762 52.326 1.00 17.49 O +ATOM 679 CB LYS A 90 16.935 53.540 52.986 1.00 18.08 C +ATOM 680 CG LYS A 90 15.623 53.612 53.732 1.00 16.80 C +ATOM 681 CD LYS A 90 15.990 53.646 55.196 1.00 14.92 C +ATOM 682 CE LYS A 90 14.783 53.747 56.024 1.00 19.21 C +ATOM 683 NZ LYS A 90 13.972 54.936 55.665 1.00 27.62 N +ATOM 684 N VAL A 91 17.085 50.337 54.455 1.00 20.14 N +ATOM 685 CA VAL A 91 16.276 49.121 54.474 1.00 18.62 C +ATOM 686 C VAL A 91 14.944 49.556 55.082 1.00 22.64 C +ATOM 687 O VAL A 91 14.877 49.943 56.253 1.00 26.01 O +ATOM 688 CB VAL A 91 16.880 48.098 55.361 1.00 22.12 C +ATOM 689 CG1 VAL A 91 16.012 46.808 55.356 1.00 25.22 C +ATOM 690 CG2 VAL A 91 18.291 47.846 54.892 1.00 14.93 C +ATOM 691 N LEU A 92 13.874 49.476 54.296 1.00 22.17 N +ATOM 692 CA LEU A 92 12.534 49.939 54.652 1.00 18.32 C +ATOM 693 C LEU A 92 11.724 48.684 54.907 1.00 22.03 C +ATOM 694 O LEU A 92 11.435 47.935 53.962 1.00 23.61 O +ATOM 695 CB LEU A 92 11.985 50.650 53.430 1.00 17.03 C +ATOM 696 CG LEU A 92 10.730 51.465 53.639 1.00 19.94 C +ATOM 697 CD1 LEU A 92 11.140 52.656 54.512 1.00 21.88 C +ATOM 698 CD2 LEU A 92 10.226 51.947 52.295 1.00 19.39 C +ATOM 699 N ALA A 93 11.341 48.474 56.161 1.00 22.31 N +ATOM 700 CA ALA A 93 10.659 47.262 56.567 1.00 18.02 C +ATOM 701 C ALA A 93 9.177 47.457 56.337 1.00 21.45 C +ATOM 702 O ALA A 93 8.616 48.446 56.768 1.00 24.34 O +ATOM 703 CB ALA A 93 11.019 46.920 58.045 1.00 18.55 C +ATOM 704 N LEU A 94 8.534 46.538 55.620 1.00 17.55 N +ATOM 705 CA LEU A 94 7.125 46.691 55.380 1.00 19.41 C +ATOM 706 C LEU A 94 6.283 45.859 56.350 1.00 20.33 C +ATOM 707 O LEU A 94 6.605 44.738 56.744 1.00 21.38 O +ATOM 708 CB LEU A 94 6.863 46.147 54.007 1.00 23.65 C +ATOM 709 CG LEU A 94 7.686 46.844 52.970 1.00 20.80 C +ATOM 710 CD1 LEU A 94 7.648 45.940 51.759 1.00 28.71 C +ATOM 711 CD2 LEU A 94 7.053 48.176 52.697 1.00 27.18 C +ATOM 712 N LYS A 95 5.145 46.408 56.707 1.00 21.19 N +ATOM 713 CA LYS A 95 4.194 45.753 57.584 1.00 18.97 C +ATOM 714 C LYS A 95 3.229 44.852 56.819 1.00 22.93 C +ATOM 715 O LYS A 95 2.489 44.056 57.429 1.00 24.28 O +ATOM 716 CB LYS A 95 3.300 46.830 58.193 1.00 16.80 C +ATOM 717 CG LYS A 95 3.911 47.607 59.349 1.00 20.08 C +ATOM 718 CD LYS A 95 2.783 48.354 60.008 1.00 22.75 C +ATOM 719 CE LYS A 95 3.263 48.827 61.336 1.00 39.09 C +ATOM 720 NZ LYS A 95 3.213 50.323 61.421 1.00 47.37 N +ATOM 721 N VAL A 96 3.232 45.000 55.485 1.00 24.96 N +ATOM 722 CA VAL A 96 2.305 44.357 54.540 1.00 23.53 C +ATOM 723 C VAL A 96 3.067 43.998 53.219 1.00 20.21 C +ATOM 724 O VAL A 96 4.039 44.660 52.886 1.00 17.52 O +ATOM 725 CB VAL A 96 1.133 45.415 54.421 1.00 26.25 C +ATOM 726 CG1 VAL A 96 0.666 45.697 53.031 1.00 21.91 C +ATOM 727 CG2 VAL A 96 0.020 45.022 55.300 1.00 16.40 C +ATOM 728 N ASP A 97 2.676 42.917 52.527 1.00 18.29 N +ATOM 729 CA ASP A 97 3.241 42.489 51.247 1.00 15.48 C +ATOM 730 C ASP A 97 2.281 42.631 50.057 1.00 18.03 C +ATOM 731 O ASP A 97 2.381 41.972 49.023 1.00 16.17 O +ATOM 732 CB ASP A 97 3.760 41.060 51.357 1.00 19.50 C +ATOM 733 CG ASP A 97 2.696 39.960 51.224 1.00 11.30 C +ATOM 734 OD1 ASP A 97 1.538 40.023 51.679 1.00 19.32 O +ATOM 735 OD2 ASP A 97 3.067 38.930 50.639 1.00 13.73 O +ATOM 736 N ASN A 98 1.263 43.446 50.281 1.00 19.34 N +ATOM 737 CA ASN A 98 0.243 43.680 49.287 1.00 20.15 C +ATOM 738 C ASN A 98 0.596 44.934 48.493 1.00 19.10 C +ATOM 739 O ASN A 98 0.496 46.015 49.002 1.00 20.11 O +ATOM 740 CB ASN A 98 -1.076 43.859 49.987 1.00 15.67 C +ATOM 741 CG ASN A 98 -2.164 43.940 48.996 1.00 21.38 C +ATOM 742 OD1 ASN A 98 -2.056 44.715 48.061 1.00 21.25 O +ATOM 743 ND2 ASN A 98 -3.162 43.081 49.116 1.00 23.62 N +ATOM 744 N ALA A 99 0.949 44.821 47.226 1.00 20.09 N +ATOM 745 CA ALA A 99 1.407 45.990 46.495 1.00 22.31 C +ATOM 746 C ALA A 99 0.424 47.099 46.237 1.00 22.22 C +ATOM 747 O ALA A 99 0.831 48.256 46.140 1.00 24.22 O +ATOM 748 CB ALA A 99 2.137 45.619 45.240 1.00 19.64 C +ATOM 749 N GLU A 100 -0.857 46.770 46.199 1.00 24.20 N +ATOM 750 CA GLU A 100 -1.867 47.797 45.992 1.00 22.16 C +ATOM 751 C GLU A 100 -2.017 48.656 47.253 1.00 27.22 C +ATOM 752 O GLU A 100 -2.043 49.897 47.169 1.00 27.62 O +ATOM 753 CB GLU A 100 -3.146 47.161 45.445 1.00 16.75 C +ATOM 754 CG GLU A 100 -2.858 46.407 44.092 1.00 29.10 C +ATOM 755 CD GLU A 100 -2.639 47.303 42.835 1.00 38.54 C +ATOM 756 OE1 GLU A 100 -3.068 48.502 42.889 1.00 31.37 O +ATOM 757 OE2 GLU A 100 -2.081 46.806 41.807 1.00 29.60 O +ATOM 758 N THR A 101 -2.000 48.035 48.435 1.00 28.53 N +ATOM 759 CA THR A 101 -2.021 48.733 49.724 1.00 21.98 C +ATOM 760 C THR A 101 -0.849 49.681 49.920 1.00 22.50 C +ATOM 761 O THR A 101 -1.002 50.809 50.340 1.00 26.69 O +ATOM 762 CB THR A 101 -2.024 47.695 50.824 1.00 17.28 C +ATOM 763 OG1 THR A 101 -3.127 46.855 50.538 1.00 17.85 O +ATOM 764 CG2 THR A 101 -2.332 48.327 52.171 1.00 16.15 C +ATOM 765 N ILE A 102 0.347 49.204 49.645 1.00 22.78 N +ATOM 766 CA ILE A 102 1.577 49.989 49.759 1.00 25.23 C +ATOM 767 C ILE A 102 1.607 51.183 48.799 1.00 23.97 C +ATOM 768 O ILE A 102 2.114 52.221 49.178 1.00 26.54 O +ATOM 769 CB ILE A 102 2.835 49.090 49.525 1.00 21.65 C +ATOM 770 CG1 ILE A 102 2.993 48.099 50.678 1.00 20.39 C +ATOM 771 CG2 ILE A 102 4.132 49.931 49.315 1.00 25.89 C +ATOM 772 CD1 ILE A 102 3.741 46.836 50.258 1.00 13.15 C +ATOM 773 N LYS A 103 1.145 51.020 47.561 1.00 24.94 N +ATOM 774 CA LYS A 103 1.109 52.099 46.556 1.00 28.55 C +ATOM 775 C LYS A 103 0.063 53.141 46.975 1.00 29.65 C +ATOM 776 O LYS A 103 0.260 54.355 46.877 1.00 31.04 O +ATOM 777 CB LYS A 103 0.805 51.555 45.149 1.00 21.69 C +ATOM 778 CG LYS A 103 1.973 50.802 44.535 1.00 33.56 C +ATOM 779 CD LYS A 103 1.771 50.424 43.069 1.00 27.43 C +ATOM 780 CE LYS A 103 0.809 49.273 42.910 1.00 22.85 C +ATOM 781 NZ LYS A 103 0.557 49.067 41.471 1.00 34.26 N +ATOM 782 N LYS A 104 -1.006 52.656 47.582 1.00 29.58 N +ATOM 783 CA LYS A 104 -2.054 53.541 48.036 1.00 33.00 C +ATOM 784 C LYS A 104 -1.605 54.295 49.250 1.00 34.24 C +ATOM 785 O LYS A 104 -1.564 55.517 49.245 1.00 36.53 O +ATOM 786 CB LYS A 104 -3.271 52.727 48.388 1.00 33.43 C +ATOM 787 CG LYS A 104 -4.499 53.522 48.612 1.00 38.13 C +ATOM 788 CD LYS A 104 -5.489 52.594 49.287 1.00 52.59 C +ATOM 789 CE LYS A 104 -4.776 51.717 50.362 1.00 56.93 C +ATOM 790 NZ LYS A 104 -5.533 50.635 51.132 1.00 51.61 N +ATOM 791 N GLU A 105 -1.235 53.551 50.271 1.00 32.14 N +ATOM 792 CA GLU A 105 -0.803 54.157 51.495 1.00 32.77 C +ATOM 793 C GLU A 105 0.404 54.996 51.303 1.00 32.91 C +ATOM 794 O GLU A 105 0.569 56.020 51.948 1.00 35.32 O +ATOM 795 CB GLU A 105 -0.441 53.100 52.519 1.00 34.06 C +ATOM 796 CG GLU A 105 -1.684 52.366 52.952 1.00 39.44 C +ATOM 797 CD GLU A 105 -2.881 53.259 53.305 1.00 31.93 C +ATOM 798 OE1 GLU A 105 -2.819 54.105 54.218 1.00 40.16 O +ATOM 799 OE2 GLU A 105 -3.952 53.095 52.695 1.00 44.55 O +ATOM 800 N LEU A 106 1.352 54.479 50.551 1.00 34.04 N +ATOM 801 CA LEU A 106 2.527 55.299 50.367 1.00 33.68 C +ATOM 802 C LEU A 106 2.242 56.412 49.373 1.00 34.31 C +ATOM 803 O LEU A 106 3.142 57.169 49.045 1.00 32.66 O +ATOM 804 CB LEU A 106 3.737 54.484 49.931 1.00 30.40 C +ATOM 805 CG LEU A 106 4.511 53.770 51.045 1.00 20.44 C +ATOM 806 CD1 LEU A 106 5.986 53.569 50.636 1.00 22.55 C +ATOM 807 CD2 LEU A 106 4.468 54.549 52.338 1.00 22.56 C +ATOM 808 N GLY A 107 0.993 56.510 48.911 1.00 37.40 N +ATOM 809 CA GLY A 107 0.582 57.516 47.936 1.00 36.57 C +ATOM 810 C GLY A 107 1.471 57.584 46.707 1.00 39.12 C +ATOM 811 O GLY A 107 2.039 58.613 46.367 1.00 40.26 O +ATOM 812 N LEU A 108 1.693 56.449 46.067 1.00 36.11 N +ATOM 813 CA LEU A 108 2.543 56.415 44.899 1.00 30.57 C +ATOM 814 C LEU A 108 1.564 56.244 43.723 1.00 31.81 C +ATOM 815 O LEU A 108 0.308 56.202 43.902 1.00 34.48 O +ATOM 816 CB LEU A 108 3.474 55.195 45.055 1.00 31.89 C +ATOM 817 CG LEU A 108 4.404 54.887 46.237 1.00 24.96 C +ATOM 818 CD1 LEU A 108 4.942 53.446 46.214 1.00 25.53 C +ATOM 819 CD2 LEU A 108 5.625 55.815 46.120 1.00 27.72 C +ATOM 820 N SER A 109 2.124 56.167 42.516 1.00 29.92 N +ATOM 821 CA SER A 109 1.301 55.900 41.334 1.00 30.64 C +ATOM 822 C SER A 109 0.707 54.489 41.508 1.00 31.45 C +ATOM 823 O SER A 109 1.398 53.540 41.934 1.00 31.80 O +ATOM 824 CB SER A 109 2.190 55.988 40.084 1.00 34.08 C +ATOM 825 OG SER A 109 1.615 55.411 38.930 1.00 33.33 O +ATOM 826 N LEU A 110 -0.582 54.369 41.213 1.00 32.31 N +ATOM 827 CA LEU A 110 -1.274 53.090 41.347 1.00 36.74 C +ATOM 828 C LEU A 110 -1.063 52.153 40.164 1.00 37.49 C +ATOM 829 O LEU A 110 -1.188 50.923 40.247 1.00 38.11 O +ATOM 830 CB LEU A 110 -2.760 53.314 41.688 1.00 41.73 C +ATOM 831 CG LEU A 110 -2.778 53.520 43.215 1.00 45.89 C +ATOM 832 CD1 LEU A 110 -4.031 54.274 43.570 1.00 43.73 C +ATOM 833 CD2 LEU A 110 -2.617 52.199 44.070 1.00 48.52 C +ATOM 834 N THR A 111 -0.615 52.788 39.092 1.00 39.39 N +ATOM 835 CA THR A 111 -0.274 52.155 37.831 1.00 40.52 C +ATOM 836 C THR A 111 1.119 51.439 37.751 1.00 40.58 C +ATOM 837 O THR A 111 1.202 50.214 37.493 1.00 42.88 O +ATOM 838 CB THR A 111 -0.548 53.175 36.642 1.00 41.11 C +ATOM 839 OG1 THR A 111 0.124 54.440 36.807 1.00 52.84 O +ATOM 840 CG2 THR A 111 -2.022 53.488 36.562 1.00 36.93 C +ATOM 841 N GLU A 112 2.211 52.149 38.044 1.00 36.12 N +ATOM 842 CA GLU A 112 3.552 51.572 37.935 1.00 31.14 C +ATOM 843 C GLU A 112 3.793 50.525 38.960 1.00 24.50 C +ATOM 844 O GLU A 112 3.262 50.661 40.050 1.00 23.76 O +ATOM 845 CB GLU A 112 4.631 52.643 38.033 1.00 35.45 C +ATOM 846 CG GLU A 112 4.908 53.322 36.673 1.00 50.41 C +ATOM 847 CD GLU A 112 4.456 54.771 36.663 1.00 51.53 C +ATOM 848 OE1 GLU A 112 4.583 55.452 37.717 1.00 59.54 O +ATOM 849 OE2 GLU A 112 3.959 55.215 35.605 1.00 61.42 O +ATOM 850 N PRO A 113 4.516 49.452 38.585 1.00 24.30 N +ATOM 851 CA PRO A 113 4.941 48.261 39.337 1.00 19.04 C +ATOM 852 C PRO A 113 5.666 48.927 40.443 1.00 20.06 C +ATOM 853 O PRO A 113 6.500 49.779 40.200 1.00 20.63 O +ATOM 854 CB PRO A 113 5.988 47.641 38.458 1.00 15.16 C +ATOM 855 CG PRO A 113 5.451 47.921 37.158 1.00 19.96 C +ATOM 856 CD PRO A 113 5.025 49.355 37.213 1.00 22.50 C +ATOM 857 N LEU A 114 5.286 48.574 41.649 1.00 23.19 N +ATOM 858 CA LEU A 114 5.865 49.132 42.856 1.00 19.03 C +ATOM 859 C LEU A 114 7.377 49.049 42.843 1.00 20.59 C +ATOM 860 O LEU A 114 8.053 50.040 43.151 1.00 21.74 O +ATOM 861 CB LEU A 114 5.316 48.363 44.058 1.00 15.95 C +ATOM 862 CG LEU A 114 6.010 48.544 45.393 1.00 22.52 C +ATOM 863 CD1 LEU A 114 5.775 49.956 45.950 1.00 16.62 C +ATOM 864 CD2 LEU A 114 5.475 47.436 46.303 1.00 22.82 C +ATOM 865 N MET A 115 7.922 47.885 42.507 1.00 19.03 N +ATOM 866 CA MET A 115 9.369 47.756 42.575 1.00 17.08 C +ATOM 867 C MET A 115 10.147 48.629 41.609 1.00 22.96 C +ATOM 868 O MET A 115 11.315 48.909 41.896 1.00 22.04 O +ATOM 869 CB MET A 115 9.843 46.303 42.590 1.00 26.60 C +ATOM 870 CG MET A 115 9.664 45.550 43.945 1.00 19.85 C +ATOM 871 SD MET A 115 10.333 46.282 45.419 1.00 20.24 S +ATOM 872 CE MET A 115 11.828 46.469 44.990 1.00 14.79 C +ATOM 873 N GLU A 116 9.506 49.104 40.524 1.00 23.45 N +ATOM 874 CA GLU A 116 10.128 50.068 39.590 1.00 22.04 C +ATOM 875 C GLU A 116 10.183 51.419 40.318 1.00 18.36 C +ATOM 876 O GLU A 116 11.206 52.061 40.352 1.00 21.29 O +ATOM 877 CB GLU A 116 9.277 50.243 38.323 1.00 22.43 C +ATOM 878 CG GLU A 116 9.332 49.000 37.500 1.00 35.96 C +ATOM 879 CD GLU A 116 8.975 49.261 36.036 1.00 45.54 C +ATOM 880 OE1 GLU A 116 8.517 50.393 35.695 1.00 42.11 O +ATOM 881 OE2 GLU A 116 9.192 48.291 35.265 1.00 43.80 O +ATOM 882 N GLN A 117 9.079 51.816 40.938 1.00 20.14 N +ATOM 883 CA GLN A 117 8.996 53.060 41.666 1.00 18.64 C +ATOM 884 C GLN A 117 9.943 53.112 42.861 1.00 22.79 C +ATOM 885 O GLN A 117 10.320 54.220 43.214 1.00 27.31 O +ATOM 886 CB GLN A 117 7.562 53.341 42.110 1.00 22.79 C +ATOM 887 CG GLN A 117 6.439 53.320 41.028 1.00 27.25 C +ATOM 888 CD GLN A 117 5.073 53.696 41.596 1.00 21.71 C +ATOM 889 OE1 GLN A 117 4.925 54.765 42.217 1.00 21.18 O +ATOM 890 NE2 GLN A 117 4.095 52.788 41.482 1.00 23.88 N +ATOM 891 N VAL A 118 10.324 52.012 43.522 1.00 19.97 N +ATOM 892 CA VAL A 118 11.295 52.046 44.654 1.00 21.42 C +ATOM 893 C VAL A 118 12.727 52.494 44.220 1.00 19.43 C +ATOM 894 O VAL A 118 13.529 53.054 44.972 1.00 19.24 O +ATOM 895 CB VAL A 118 11.308 50.646 45.351 1.00 18.95 C +ATOM 896 CG1 VAL A 118 12.531 50.429 46.207 1.00 15.83 C +ATOM 897 CG2 VAL A 118 9.978 50.405 46.044 1.00 13.94 C +ATOM 898 N GLY A 119 13.064 52.185 42.972 1.00 18.19 N +ATOM 899 CA GLY A 119 14.333 52.573 42.421 1.00 20.24 C +ATOM 900 C GLY A 119 14.346 53.977 41.818 1.00 20.79 C +ATOM 901 O GLY A 119 15.339 54.314 41.189 1.00 24.70 O +ATOM 902 N THR A 120 13.285 54.771 41.940 1.00 23.67 N +ATOM 903 CA THR A 120 13.251 56.146 41.433 1.00 23.62 C +ATOM 904 C THR A 120 13.885 57.144 42.414 1.00 28.58 C +ATOM 905 O THR A 120 13.946 56.901 43.631 1.00 29.21 O +ATOM 906 CB THR A 120 11.821 56.666 41.028 1.00 17.39 C +ATOM 907 OG1 THR A 120 10.918 56.790 42.135 1.00 20.25 O +ATOM 908 CG2 THR A 120 11.206 55.804 39.932 1.00 17.62 C +ATOM 909 N GLU A 121 14.392 58.259 41.876 1.00 32.06 N +ATOM 910 CA GLU A 121 15.015 59.311 42.699 1.00 32.52 C +ATOM 911 C GLU A 121 14.072 59.879 43.739 1.00 31.08 C +ATOM 912 O GLU A 121 14.417 60.114 44.904 1.00 31.03 O +ATOM 913 CB GLU A 121 15.400 60.483 41.818 1.00 42.01 C +ATOM 914 CG GLU A 121 16.724 60.270 41.118 1.00 59.47 C +ATOM 915 CD GLU A 121 17.059 61.467 40.259 1.00 65.82 C +ATOM 916 OE1 GLU A 121 17.120 62.589 40.845 1.00 60.30 O +ATOM 917 OE2 GLU A 121 17.206 61.239 39.028 1.00 67.47 O +ATOM 918 N GLU A 122 12.895 60.195 43.220 1.00 29.79 N +ATOM 919 CA GLU A 122 11.825 60.705 44.031 1.00 32.23 C +ATOM 920 C GLU A 122 11.520 59.724 45.149 1.00 33.08 C +ATOM 921 O GLU A 122 11.457 60.128 46.304 1.00 32.58 O +ATOM 922 CB GLU A 122 10.597 60.835 43.181 1.00 30.97 C +ATOM 923 CG GLU A 122 9.616 61.779 43.805 1.00 49.83 C +ATOM 924 CD GLU A 122 8.306 61.666 43.033 1.00 71.22 C +ATOM 925 OE1 GLU A 122 8.430 61.338 41.820 1.00 71.19 O +ATOM 926 OE2 GLU A 122 7.193 61.868 43.608 1.00 76.29 O +ATOM 927 N PHE A 123 11.307 58.448 44.826 1.00 33.30 N +ATOM 928 CA PHE A 123 11.044 57.499 45.892 1.00 31.58 C +ATOM 929 C PHE A 123 12.221 57.413 46.861 1.00 32.12 C +ATOM 930 O PHE A 123 12.030 57.293 48.077 1.00 31.58 O +ATOM 931 CB PHE A 123 10.800 56.109 45.339 1.00 25.27 C +ATOM 932 CG PHE A 123 10.329 55.155 46.397 1.00 25.95 C +ATOM 933 CD1 PHE A 123 11.245 54.519 47.234 1.00 20.01 C +ATOM 934 CD2 PHE A 123 8.969 54.895 46.561 1.00 25.33 C +ATOM 935 CE1 PHE A 123 10.785 53.640 48.205 1.00 16.39 C +ATOM 936 CE2 PHE A 123 8.505 54.027 47.521 1.00 21.50 C +ATOM 937 CZ PHE A 123 9.404 53.403 48.339 1.00 19.63 C +ATOM 938 N ILE A 124 13.445 57.387 46.334 1.00 32.65 N +ATOM 939 CA ILE A 124 14.618 57.325 47.211 1.00 31.10 C +ATOM 940 C ILE A 124 14.811 58.621 48.025 1.00 31.97 C +ATOM 941 O ILE A 124 15.280 58.599 49.189 1.00 31.26 O +ATOM 942 CB ILE A 124 15.883 56.965 46.419 1.00 33.92 C +ATOM 943 CG1 ILE A 124 15.658 55.665 45.640 1.00 21.91 C +ATOM 944 CG2 ILE A 124 17.095 56.942 47.359 1.00 28.94 C +ATOM 945 CD1 ILE A 124 16.815 55.298 44.757 1.00 16.97 C +ATOM 946 N LYS A 125 14.339 59.719 47.436 1.00 29.17 N +ATOM 947 CA LYS A 125 14.386 61.018 48.099 1.00 35.01 C +ATOM 948 C LYS A 125 13.521 60.979 49.365 1.00 33.53 C +ATOM 949 O LYS A 125 13.995 61.272 50.474 1.00 32.24 O +ATOM 950 CB LYS A 125 13.890 62.118 47.148 1.00 46.12 C +ATOM 951 CG LYS A 125 14.250 63.594 47.467 1.00 49.11 C +ATOM 952 CD LYS A 125 13.728 64.555 46.338 1.00 62.72 C +ATOM 953 CE LYS A 125 14.126 64.174 44.850 1.00 69.81 C +ATOM 954 NZ LYS A 125 13.113 64.137 43.677 1.00 68.78 N +ATOM 955 N ARG A 126 12.247 60.638 49.158 1.00 35.06 N +ATOM 956 CA ARG A 126 11.228 60.479 50.203 1.00 35.01 C +ATOM 957 C ARG A 126 11.457 59.415 51.295 1.00 33.46 C +ATOM 958 O ARG A 126 11.324 59.707 52.488 1.00 38.81 O +ATOM 959 CB ARG A 126 9.864 60.260 49.549 1.00 38.72 C +ATOM 960 CG ARG A 126 9.511 61.291 48.488 1.00 40.79 C +ATOM 961 CD ARG A 126 8.107 60.993 47.983 1.00 53.15 C +ATOM 962 NE ARG A 126 7.165 60.680 49.063 1.00 51.02 N +ATOM 963 CZ ARG A 126 6.133 59.861 48.886 1.00 51.42 C +ATOM 964 NH1 ARG A 126 5.980 59.302 47.685 1.00 51.95 N +ATOM 965 NH2 ARG A 126 5.244 59.654 49.855 1.00 35.75 N +ATOM 966 N PHE A 127 11.926 58.223 50.938 1.00 31.29 N +ATOM 967 CA PHE A 127 12.123 57.169 51.942 1.00 25.71 C +ATOM 968 C PHE A 127 13.530 56.724 52.231 1.00 23.74 C +ATOM 969 O PHE A 127 13.685 56.063 53.232 1.00 25.59 O +ATOM 970 CB PHE A 127 11.235 55.978 51.579 1.00 22.84 C +ATOM 971 CG PHE A 127 9.798 56.361 51.246 1.00 20.73 C +ATOM 972 CD1 PHE A 127 8.853 56.531 52.246 1.00 30.35 C +ATOM 973 CD2 PHE A 127 9.388 56.505 49.918 1.00 26.38 C +ATOM 974 CE1 PHE A 127 7.539 56.821 51.916 1.00 20.19 C +ATOM 975 CE2 PHE A 127 8.099 56.793 49.575 1.00 19.89 C +ATOM 976 CZ PHE A 127 7.181 56.946 50.573 1.00 31.11 C +ATOM 977 N GLY A 128 14.512 57.122 51.409 1.00 22.28 N +ATOM 978 CA GLY A 128 15.925 56.802 51.549 1.00 21.88 C +ATOM 979 C GLY A 128 16.668 57.388 52.752 1.00 26.23 C +ATOM 980 O GLY A 128 17.755 56.945 53.129 1.00 26.76 O +ATOM 981 N ASP A 129 16.058 58.374 53.402 1.00 28.24 N +ATOM 982 CA ASP A 129 16.638 59.079 54.551 1.00 32.19 C +ATOM 983 C ASP A 129 18.103 59.462 54.304 1.00 34.85 C +ATOM 984 O ASP A 129 18.924 59.468 55.234 1.00 36.65 O +ATOM 985 CB ASP A 129 16.574 58.267 55.857 1.00 35.64 C +ATOM 986 CG ASP A 129 15.167 58.127 56.433 1.00 42.02 C +ATOM 987 OD1 ASP A 129 14.362 59.099 56.347 1.00 35.91 O +ATOM 988 OD2 ASP A 129 14.903 57.019 56.990 1.00 34.49 O +ATOM 989 N GLY A 130 18.411 59.827 53.062 1.00 36.02 N +ATOM 990 CA GLY A 130 19.776 60.151 52.698 1.00 35.33 C +ATOM 991 C GLY A 130 20.640 59.006 52.180 1.00 37.65 C +ATOM 992 O GLY A 130 21.861 59.176 51.985 1.00 40.50 O +ATOM 993 N ALA A 131 20.023 57.841 51.976 1.00 34.82 N +ATOM 994 CA ALA A 131 20.738 56.682 51.500 1.00 29.12 C +ATOM 995 C ALA A 131 20.666 56.841 49.997 1.00 26.05 C +ATOM 996 O ALA A 131 19.826 57.568 49.452 1.00 25.59 O +ATOM 997 CB ALA A 131 20.018 55.434 51.981 1.00 27.96 C +ATOM 998 N SER A 132 21.587 56.155 49.343 1.00 27.51 N +ATOM 999 CA SER A 132 21.684 56.161 47.890 1.00 28.63 C +ATOM 1000 C SER A 132 20.585 55.308 47.246 1.00 31.24 C +ATOM 1001 O SER A 132 20.285 55.425 46.058 1.00 30.51 O +ATOM 1002 CB SER A 132 23.048 55.615 47.506 1.00 31.90 C +ATOM 1003 OG SER A 132 24.045 56.577 47.743 1.00 41.23 O +ATOM 1004 N ARG A 133 19.984 54.415 48.022 1.00 32.35 N +ATOM 1005 CA ARG A 133 18.893 53.584 47.510 1.00 31.52 C +ATOM 1006 C ARG A 133 18.179 52.888 48.655 1.00 29.51 C +ATOM 1007 O ARG A 133 18.701 52.811 49.768 1.00 26.36 O +ATOM 1008 CB ARG A 133 19.358 52.507 46.508 1.00 27.02 C +ATOM 1009 CG ARG A 133 19.941 51.260 47.099 1.00 18.80 C +ATOM 1010 CD ARG A 133 21.377 51.193 46.683 1.00 31.58 C +ATOM 1011 NE ARG A 133 22.243 51.744 47.692 1.00 36.72 N +ATOM 1012 CZ ARG A 133 23.491 52.121 47.495 1.00 27.51 C +ATOM 1013 NH1 ARG A 133 24.053 52.005 46.304 1.00 25.01 N +ATOM 1014 NH2 ARG A 133 24.139 52.633 48.529 1.00 35.22 N +ATOM 1015 N VAL A 134 16.963 52.468 48.324 1.00 29.96 N +ATOM 1016 CA VAL A 134 16.018 51.765 49.187 1.00 29.01 C +ATOM 1017 C VAL A 134 15.837 50.300 48.715 1.00 27.13 C +ATOM 1018 O VAL A 134 15.776 50.015 47.511 1.00 26.35 O +ATOM 1019 CB VAL A 134 14.624 52.493 49.259 1.00 16.95 C +ATOM 1020 CG1 VAL A 134 13.759 51.753 50.261 1.00 13.97 C +ATOM 1021 CG2 VAL A 134 14.709 53.982 49.667 1.00 17.81 C +ATOM 1022 N VAL A 135 15.826 49.400 49.696 1.00 27.01 N +ATOM 1023 CA VAL A 135 15.639 47.964 49.563 1.00 25.88 C +ATOM 1024 C VAL A 135 14.440 47.728 50.469 1.00 24.18 C +ATOM 1025 O VAL A 135 14.395 48.291 51.572 1.00 22.97 O +ATOM 1026 CB VAL A 135 16.862 47.183 50.178 1.00 27.14 C +ATOM 1027 CG1 VAL A 135 16.647 45.680 50.228 1.00 14.73 C +ATOM 1028 CG2 VAL A 135 18.077 47.433 49.339 1.00 24.58 C +ATOM 1029 N LEU A 136 13.463 46.922 50.043 1.00 25.42 N +ATOM 1030 CA LEU A 136 12.325 46.610 50.933 1.00 22.83 C +ATOM 1031 C LEU A 136 12.581 45.345 51.780 1.00 18.03 C +ATOM 1032 O LEU A 136 13.118 44.367 51.282 1.00 19.27 O +ATOM 1033 CB LEU A 136 11.051 46.413 50.111 1.00 22.37 C +ATOM 1034 CG LEU A 136 10.539 47.524 49.227 1.00 17.54 C +ATOM 1035 CD1 LEU A 136 9.221 47.029 48.697 1.00 17.45 C +ATOM 1036 CD2 LEU A 136 10.325 48.770 50.010 1.00 17.96 C +ATOM 1037 N SER A 137 12.199 45.347 53.055 1.00 17.44 N +ATOM 1038 CA SER A 137 12.361 44.193 53.931 1.00 14.94 C +ATOM 1039 C SER A 137 11.011 43.632 54.386 1.00 14.12 C +ATOM 1040 O SER A 137 10.123 44.343 54.838 1.00 19.79 O +ATOM 1041 CB SER A 137 13.215 44.581 55.160 1.00 16.83 C +ATOM 1042 OG SER A 137 13.501 43.497 56.035 1.00 16.65 O +ATOM 1043 N LEU A 138 10.863 42.322 54.263 1.00 16.07 N +ATOM 1044 CA LEU A 138 9.671 41.598 54.659 1.00 17.93 C +ATOM 1045 C LEU A 138 10.142 40.348 55.426 1.00 14.71 C +ATOM 1046 O LEU A 138 11.262 39.874 55.262 1.00 13.85 O +ATOM 1047 CB LEU A 138 8.891 41.139 53.386 1.00 16.32 C +ATOM 1048 CG LEU A 138 8.101 42.138 52.543 1.00 20.77 C +ATOM 1049 CD1 LEU A 138 7.808 41.687 51.161 1.00 21.06 C +ATOM 1050 CD2 LEU A 138 6.838 42.349 53.273 1.00 23.46 C +ATOM 1051 N PRO A 139 9.268 39.785 56.269 1.00 14.65 N +ATOM 1052 CA PRO A 139 9.610 38.576 57.001 1.00 15.13 C +ATOM 1053 C PRO A 139 9.757 37.524 55.946 1.00 15.83 C +ATOM 1054 O PRO A 139 8.971 37.443 55.009 1.00 18.31 O +ATOM 1055 CB PRO A 139 8.345 38.282 57.782 1.00 9.95 C +ATOM 1056 CG PRO A 139 7.941 39.627 58.159 1.00 13.70 C +ATOM 1057 CD PRO A 139 8.093 40.428 56.860 1.00 10.73 C +ATOM 1058 N PHE A 140 10.795 36.729 56.124 1.00 15.02 N +ATOM 1059 CA PHE A 140 11.086 35.670 55.204 1.00 12.36 C +ATOM 1060 C PHE A 140 9.985 34.627 55.147 1.00 19.21 C +ATOM 1061 O PHE A 140 9.522 34.292 54.024 1.00 20.45 O +ATOM 1062 CB PHE A 140 12.482 35.146 55.548 1.00 11.46 C +ATOM 1063 CG PHE A 140 12.973 34.039 54.683 1.00 14.80 C +ATOM 1064 CD1 PHE A 140 13.543 34.318 53.453 1.00 14.02 C +ATOM 1065 CD2 PHE A 140 12.823 32.721 55.086 1.00 11.17 C +ATOM 1066 CE1 PHE A 140 13.950 33.296 52.643 1.00 15.68 C +ATOM 1067 CE2 PHE A 140 13.218 31.670 54.288 1.00 14.37 C +ATOM 1068 CZ PHE A 140 13.787 31.948 53.059 1.00 15.38 C +ATOM 1069 N ALA A 141 9.446 34.175 56.281 1.00 14.64 N +ATOM 1070 CA ALA A 141 8.437 33.117 56.164 1.00 12.31 C +ATOM 1071 C ALA A 141 7.884 32.916 57.550 1.00 15.54 C +ATOM 1072 O ALA A 141 8.496 33.355 58.498 1.00 15.82 O +ATOM 1073 CB ALA A 141 9.109 31.837 55.773 1.00 9.70 C +ATOM 1074 N GLU A 142 6.741 32.268 57.692 1.00 14.03 N +ATOM 1075 CA GLU A 142 6.243 31.986 59.019 1.00 16.39 C +ATOM 1076 C GLU A 142 7.160 30.945 59.621 1.00 18.10 C +ATOM 1077 O GLU A 142 7.506 30.021 58.885 1.00 17.94 O +ATOM 1078 CB GLU A 142 4.892 31.320 58.962 1.00 16.83 C +ATOM 1079 CG GLU A 142 3.770 32.274 58.670 1.00 22.75 C +ATOM 1080 CD GLU A 142 3.506 33.195 59.828 1.00 31.46 C +ATOM 1081 OE1 GLU A 142 3.591 32.693 60.986 1.00 28.95 O +ATOM 1082 OE2 GLU A 142 3.230 34.383 59.505 1.00 30.35 O +ATOM 1083 N GLY A 143 7.461 31.026 60.923 1.00 16.25 N +ATOM 1084 CA GLY A 143 8.352 30.087 61.581 1.00 14.96 C +ATOM 1085 C GLY A 143 9.826 30.384 61.354 1.00 19.77 C +ATOM 1086 O GLY A 143 10.723 29.623 61.753 1.00 18.87 O +ATOM 1087 N SER A 144 10.094 31.488 60.657 1.00 22.11 N +ATOM 1088 CA SER A 144 11.474 31.885 60.399 1.00 19.26 C +ATOM 1089 C SER A 144 11.729 33.269 61.006 1.00 18.69 C +ATOM 1090 O SER A 144 10.802 34.060 61.206 1.00 17.13 O +ATOM 1091 CB SER A 144 11.665 31.933 58.900 1.00 15.47 C +ATOM 1092 OG SER A 144 12.900 32.534 58.670 1.00 14.73 O +ATOM 1093 N SER A 145 12.964 33.548 61.398 1.00 20.44 N +ATOM 1094 CA SER A 145 13.289 34.872 61.916 1.00 20.89 C +ATOM 1095 C SER A 145 14.131 35.687 60.897 1.00 18.92 C +ATOM 1096 O SER A 145 14.603 36.783 61.192 1.00 21.39 O +ATOM 1097 CB SER A 145 13.971 34.799 63.297 1.00 20.80 C +ATOM 1098 OG SER A 145 15.142 34.012 63.268 1.00 36.00 O +ATOM 1099 N SER A 146 14.322 35.146 59.702 1.00 17.82 N +ATOM 1100 CA SER A 146 15.009 35.826 58.593 1.00 15.40 C +ATOM 1101 C SER A 146 14.083 36.853 57.957 1.00 13.88 C +ATOM 1102 O SER A 146 12.869 36.939 58.210 1.00 15.10 O +ATOM 1103 CB SER A 146 15.405 34.828 57.489 1.00 10.78 C +ATOM 1104 OG SER A 146 16.216 33.816 58.014 1.00 15.53 O +ATOM 1105 N VAL A 147 14.714 37.621 57.079 1.00 18.59 N +ATOM 1106 CA VAL A 147 14.073 38.639 56.291 1.00 19.62 C +ATOM 1107 C VAL A 147 14.451 38.360 54.824 1.00 17.76 C +ATOM 1108 O VAL A 147 15.432 37.716 54.480 1.00 17.32 O +ATOM 1109 CB VAL A 147 14.506 40.089 56.664 1.00 17.22 C +ATOM 1110 CG1 VAL A 147 13.968 40.443 57.998 1.00 25.22 C +ATOM 1111 CG2 VAL A 147 15.988 40.288 56.575 1.00 11.21 C +ATOM 1112 N GLU A 148 13.554 38.840 53.988 1.00 20.45 N +ATOM 1113 CA GLU A 148 13.702 38.802 52.560 1.00 16.51 C +ATOM 1114 C GLU A 148 13.913 40.268 52.147 1.00 13.29 C +ATOM 1115 O GLU A 148 13.181 41.169 52.572 1.00 16.98 O +ATOM 1116 CB GLU A 148 12.377 38.309 51.986 1.00 13.34 C +ATOM 1117 CG GLU A 148 12.238 38.648 50.500 1.00 13.99 C +ATOM 1118 CD GLU A 148 10.984 38.119 49.923 1.00 15.01 C +ATOM 1119 OE1 GLU A 148 9.911 38.620 50.273 1.00 15.14 O +ATOM 1120 OE2 GLU A 148 11.069 37.101 49.209 1.00 17.44 O +ATOM 1121 N TYR A 149 14.882 40.493 51.270 1.00 17.37 N +ATOM 1122 CA TYR A 149 15.172 41.815 50.693 1.00 18.54 C +ATOM 1123 C TYR A 149 14.721 41.880 49.211 1.00 15.65 C +ATOM 1124 O TYR A 149 14.989 40.966 48.473 1.00 20.78 O +ATOM 1125 CB TYR A 149 16.666 42.118 50.801 1.00 15.12 C +ATOM 1126 CG TYR A 149 17.196 42.141 52.229 1.00 18.21 C +ATOM 1127 CD1 TYR A 149 16.767 43.102 53.143 1.00 19.77 C +ATOM 1128 CD2 TYR A 149 18.157 41.249 52.639 1.00 16.07 C +ATOM 1129 CE1 TYR A 149 17.299 43.168 54.414 1.00 19.38 C +ATOM 1130 CE2 TYR A 149 18.699 41.309 53.903 1.00 21.80 C +ATOM 1131 CZ TYR A 149 18.263 42.262 54.783 1.00 21.69 C +ATOM 1132 OH TYR A 149 18.779 42.264 56.053 1.00 24.49 O +ATOM 1133 N ILE A 150 13.947 42.883 48.814 1.00 15.00 N +ATOM 1134 CA ILE A 150 13.458 43.054 47.453 1.00 18.07 C +ATOM 1135 C ILE A 150 14.153 44.343 46.980 1.00 15.94 C +ATOM 1136 O ILE A 150 13.953 45.420 47.548 1.00 17.21 O +ATOM 1137 CB ILE A 150 11.885 43.131 47.414 1.00 16.11 C +ATOM 1138 CG1 ILE A 150 11.254 41.944 48.182 1.00 15.72 C +ATOM 1139 CG2 ILE A 150 11.388 43.039 45.954 1.00 19.54 C +ATOM 1140 CD1 ILE A 150 9.773 41.786 47.901 1.00 17.91 C +ATOM 1141 N ASN A 151 15.059 44.166 46.012 1.00 21.78 N +ATOM 1142 CA ASN A 151 15.933 45.186 45.410 1.00 17.67 C +ATOM 1143 C ASN A 151 15.392 45.614 44.068 1.00 16.18 C +ATOM 1144 O ASN A 151 14.985 44.781 43.297 1.00 16.75 O +ATOM 1145 CB ASN A 151 17.310 44.569 45.155 1.00 16.91 C +ATOM 1146 CG ASN A 151 18.007 44.113 46.421 1.00 21.13 C +ATOM 1147 OD1 ASN A 151 17.987 42.925 46.818 1.00 21.67 O +ATOM 1148 ND2 ASN A 151 18.680 45.054 47.042 1.00 16.88 N +ATOM 1149 N ASN A 152 15.463 46.893 43.735 1.00 18.74 N +ATOM 1150 CA ASN A 152 14.973 47.383 42.449 1.00 17.80 C +ATOM 1151 C ASN A 152 15.972 46.892 41.440 1.00 16.99 C +ATOM 1152 O ASN A 152 17.136 47.017 41.729 1.00 19.86 O +ATOM 1153 CB ASN A 152 14.975 48.911 42.462 1.00 18.30 C +ATOM 1154 CG ASN A 152 14.926 49.506 41.085 1.00 18.01 C +ATOM 1155 OD1 ASN A 152 15.934 49.877 40.509 1.00 22.41 O +ATOM 1156 ND2 ASN A 152 13.724 49.641 40.571 1.00 14.96 N +ATOM 1157 N TRP A 153 15.571 46.358 40.282 1.00 19.77 N +ATOM 1158 CA TRP A 153 16.535 45.828 39.281 1.00 21.95 C +ATOM 1159 C TRP A 153 17.704 46.738 38.869 1.00 20.69 C +ATOM 1160 O TRP A 153 18.831 46.285 38.660 1.00 23.58 O +ATOM 1161 CB TRP A 153 15.799 45.345 37.989 1.00 18.41 C +ATOM 1162 CG TRP A 153 15.383 43.926 38.113 1.00 16.55 C +ATOM 1163 CD1 TRP A 153 14.119 43.446 38.082 1.00 9.78 C +ATOM 1164 CD2 TRP A 153 16.244 42.799 38.363 1.00 15.89 C +ATOM 1165 NE1 TRP A 153 14.131 42.093 38.285 1.00 14.97 N +ATOM 1166 CE2 TRP A 153 15.425 41.670 38.465 1.00 13.68 C +ATOM 1167 CE3 TRP A 153 17.627 42.641 38.542 1.00 19.49 C +ATOM 1168 CZ2 TRP A 153 15.935 40.398 38.736 1.00 17.26 C +ATOM 1169 CZ3 TRP A 153 18.146 41.371 38.818 1.00 13.98 C +ATOM 1170 CH2 TRP A 153 17.293 40.268 38.913 1.00 15.81 C +ATOM 1171 N GLU A 154 17.363 48.001 38.659 1.00 22.23 N +ATOM 1172 CA GLU A 154 18.282 49.036 38.249 1.00 24.14 C +ATOM 1173 C GLU A 154 19.194 49.436 39.401 1.00 23.68 C +ATOM 1174 O GLU A 154 20.401 49.509 39.214 1.00 23.53 O +ATOM 1175 CB GLU A 154 17.508 50.218 37.655 1.00 32.25 C +ATOM 1176 CG GLU A 154 18.233 51.141 36.601 1.00 45.86 C +ATOM 1177 CD GLU A 154 18.981 50.455 35.412 1.00 46.91 C +ATOM 1178 OE1 GLU A 154 18.407 49.623 34.628 1.00 45.09 O +ATOM 1179 OE2 GLU A 154 20.189 50.792 35.282 1.00 43.95 O +ATOM 1180 N GLN A 155 18.657 49.640 40.592 1.00 23.65 N +ATOM 1181 CA GLN A 155 19.521 49.959 41.722 1.00 20.82 C +ATOM 1182 C GLN A 155 20.454 48.776 42.069 1.00 19.08 C +ATOM 1183 O GLN A 155 21.580 48.928 42.568 1.00 20.47 O +ATOM 1184 CB GLN A 155 18.633 50.376 42.904 1.00 22.17 C +ATOM 1185 CG GLN A 155 17.795 51.577 42.562 1.00 23.54 C +ATOM 1186 CD GLN A 155 18.656 52.801 42.286 1.00 25.42 C +ATOM 1187 OE1 GLN A 155 19.827 52.807 42.643 1.00 27.66 O +ATOM 1188 NE2 GLN A 155 18.101 53.818 41.637 1.00 22.54 N +ATOM 1189 N ALA A 156 20.007 47.558 41.807 1.00 20.35 N +ATOM 1190 CA ALA A 156 20.833 46.394 42.062 1.00 16.86 C +ATOM 1191 C ALA A 156 22.122 46.314 41.246 1.00 17.39 C +ATOM 1192 O ALA A 156 23.006 45.545 41.573 1.00 16.85 O +ATOM 1193 CB ALA A 156 19.993 45.160 41.857 1.00 15.86 C +ATOM 1194 N LYS A 157 22.227 47.028 40.133 1.00 17.90 N +ATOM 1195 CA LYS A 157 23.433 47.017 39.334 1.00 22.98 C +ATOM 1196 C LYS A 157 24.694 47.498 40.072 1.00 26.34 C +ATOM 1197 O LYS A 157 25.824 47.182 39.632 1.00 30.07 O +ATOM 1198 CB LYS A 157 23.204 47.898 38.119 1.00 26.61 C +ATOM 1199 CG LYS A 157 22.153 47.380 37.145 1.00 31.91 C +ATOM 1200 CD LYS A 157 22.033 48.395 36.014 1.00 35.27 C +ATOM 1201 CE LYS A 157 21.637 47.726 34.710 1.00 41.16 C +ATOM 1202 NZ LYS A 157 21.081 48.776 33.807 1.00 37.50 N +ATOM 1203 N ALA A 158 24.488 48.271 41.149 1.00 27.29 N +ATOM 1204 CA ALA A 158 25.515 48.794 42.067 1.00 23.83 C +ATOM 1205 C ALA A 158 26.031 47.724 43.029 1.00 24.29 C +ATOM 1206 O ALA A 158 27.079 47.923 43.585 1.00 25.27 O +ATOM 1207 CB ALA A 158 24.977 49.995 42.861 1.00 19.72 C +ATOM 1208 N LEU A 159 25.361 46.588 43.201 1.00 22.35 N +ATOM 1209 CA LEU A 159 25.848 45.548 44.092 1.00 22.06 C +ATOM 1210 C LEU A 159 27.202 44.964 43.738 1.00 23.48 C +ATOM 1211 O LEU A 159 27.480 44.730 42.568 1.00 23.22 O +ATOM 1212 CB LEU A 159 24.880 44.358 44.179 1.00 18.94 C +ATOM 1213 CG LEU A 159 23.512 44.656 44.810 1.00 21.88 C +ATOM 1214 CD1 LEU A 159 22.524 43.558 44.577 1.00 11.70 C +ATOM 1215 CD2 LEU A 159 23.723 44.947 46.304 1.00 15.72 C +ATOM 1216 N SER A 160 28.042 44.683 44.746 1.00 28.02 N +ATOM 1217 CA SER A 160 29.333 43.980 44.541 1.00 24.31 C +ATOM 1218 C SER A 160 29.005 42.570 45.005 1.00 21.53 C +ATOM 1219 O SER A 160 28.170 42.423 45.895 1.00 22.09 O +ATOM 1220 CB SER A 160 30.557 44.601 45.229 1.00 21.08 C +ATOM 1221 OG SER A 160 30.406 44.764 46.621 1.00 34.90 O +ATOM 1222 N VAL A 161 29.526 41.577 44.294 1.00 21.36 N +ATOM 1223 CA VAL A 161 29.188 40.187 44.517 1.00 20.29 C +ATOM 1224 C VAL A 161 30.427 39.376 44.871 1.00 24.07 C +ATOM 1225 O VAL A 161 31.452 39.482 44.212 1.00 26.29 O +ATOM 1226 CB VAL A 161 28.538 39.586 43.203 1.00 20.90 C +ATOM 1227 CG1 VAL A 161 27.836 38.305 43.477 1.00 15.13 C +ATOM 1228 CG2 VAL A 161 27.572 40.542 42.567 1.00 15.69 C +ATOM 1229 N GLU A 162 30.377 38.573 45.931 1.00 26.50 N +ATOM 1230 CA GLU A 162 31.501 37.699 46.249 1.00 23.90 C +ATOM 1231 C GLU A 162 30.944 36.368 46.605 1.00 22.01 C +ATOM 1232 O GLU A 162 29.774 36.288 46.984 1.00 27.00 O +ATOM 1233 CB GLU A 162 32.406 38.174 47.389 1.00 26.27 C +ATOM 1234 CG GLU A 162 31.786 38.748 48.644 1.00 44.78 C +ATOM 1235 CD GLU A 162 32.561 39.985 49.215 1.00 61.58 C +ATOM 1236 OE1 GLU A 162 33.672 39.810 49.780 1.00 65.54 O +ATOM 1237 OE2 GLU A 162 32.070 41.145 49.113 1.00 59.58 O +ATOM 1238 N LEU A 163 31.746 35.338 46.356 1.00 23.50 N +ATOM 1239 CA LEU A 163 31.444 33.933 46.642 1.00 23.86 C +ATOM 1240 C LEU A 163 31.333 33.624 48.158 1.00 26.47 C +ATOM 1241 O LEU A 163 32.260 33.973 48.901 1.00 29.27 O +ATOM 1242 CB LEU A 163 32.573 33.044 46.107 1.00 16.75 C +ATOM 1243 CG LEU A 163 32.193 31.572 46.231 1.00 18.41 C +ATOM 1244 CD1 LEU A 163 30.882 31.478 45.522 1.00 21.58 C +ATOM 1245 CD2 LEU A 163 33.221 30.606 45.708 1.00 17.29 C +ATOM 1246 N GLU A 164 30.211 33.081 48.645 1.00 24.60 N +ATOM 1247 CA GLU A 164 30.122 32.630 50.035 1.00 25.30 C +ATOM 1248 C GLU A 164 30.586 31.187 49.949 1.00 28.19 C +ATOM 1249 O GLU A 164 31.598 30.813 50.536 1.00 30.31 O +ATOM 1250 CB GLU A 164 28.713 32.631 50.635 1.00 22.24 C +ATOM 1251 CG GLU A 164 28.329 33.915 51.292 1.00 30.19 C +ATOM 1252 CD GLU A 164 29.193 34.194 52.507 1.00 43.39 C +ATOM 1253 OE1 GLU A 164 29.410 33.321 53.392 1.00 37.98 O +ATOM 1254 OE2 GLU A 164 29.687 35.338 52.509 1.00 34.21 O +ATOM 1255 N ILE A 165 29.854 30.387 49.178 1.00 28.35 N +ATOM 1256 CA ILE A 165 30.163 28.985 48.980 1.00 27.35 C +ATOM 1257 C ILE A 165 29.644 28.561 47.607 1.00 27.23 C +ATOM 1258 O ILE A 165 28.543 28.950 47.164 1.00 25.91 O +ATOM 1259 CB ILE A 165 29.492 28.084 50.103 1.00 27.12 C +ATOM 1260 CG1 ILE A 165 29.798 26.571 49.927 1.00 24.50 C +ATOM 1261 CG2 ILE A 165 28.019 28.393 50.178 1.00 14.69 C +ATOM 1262 CD1 ILE A 165 29.827 25.815 51.268 1.00 18.50 C +ATOM 1263 N ASN A 166 30.474 27.737 46.965 1.00 29.41 N +ATOM 1264 CA ASN A 166 30.143 27.070 45.717 1.00 26.14 C +ATOM 1265 C ASN A 166 30.101 25.619 46.203 1.00 27.58 C +ATOM 1266 O ASN A 166 31.141 25.015 46.516 1.00 29.53 O +ATOM 1267 CB ASN A 166 31.227 27.235 44.667 1.00 25.68 C +ATOM 1268 CG ASN A 166 30.793 26.655 43.330 1.00 26.78 C +ATOM 1269 OD1 ASN A 166 30.207 25.591 43.262 1.00 27.05 O +ATOM 1270 ND2 ASN A 166 31.037 27.383 42.261 1.00 29.92 N +ATOM 1271 N PHE A 167 28.891 25.073 46.327 1.00 27.55 N +ATOM 1272 CA PHE A 167 28.777 23.714 46.828 1.00 25.39 C +ATOM 1273 C PHE A 167 29.347 22.662 45.888 1.00 23.62 C +ATOM 1274 O PHE A 167 29.735 21.575 46.298 1.00 23.10 O +ATOM 1275 CB PHE A 167 27.333 23.335 47.048 1.00 21.16 C +ATOM 1276 CG PHE A 167 26.601 24.221 47.980 1.00 21.38 C +ATOM 1277 CD1 PHE A 167 27.019 24.361 49.278 1.00 19.24 C +ATOM 1278 CD2 PHE A 167 25.458 24.926 47.532 1.00 27.22 C +ATOM 1279 CE1 PHE A 167 26.282 25.210 50.128 1.00 22.40 C +ATOM 1280 CE2 PHE A 167 24.695 25.781 48.357 1.00 24.45 C +ATOM 1281 CZ PHE A 167 25.114 25.924 49.672 1.00 24.87 C +ATOM 1282 N GLU A 168 29.310 22.944 44.594 1.00 23.90 N +ATOM 1283 CA GLU A 168 29.769 21.969 43.618 1.00 24.97 C +ATOM 1284 C GLU A 168 31.271 21.829 43.711 1.00 26.00 C +ATOM 1285 O GLU A 168 31.816 20.792 43.372 1.00 29.98 O +ATOM 1286 CB GLU A 168 29.378 22.406 42.211 1.00 25.99 C +ATOM 1287 CG GLU A 168 27.931 22.123 41.874 1.00 28.40 C +ATOM 1288 CD GLU A 168 27.641 22.392 40.397 1.00 38.63 C +ATOM 1289 OE1 GLU A 168 27.887 23.501 39.813 1.00 27.52 O +ATOM 1290 OE2 GLU A 168 27.147 21.405 39.824 1.00 42.08 O +ATOM 1291 N THR A 169 31.946 22.875 44.158 1.00 29.14 N +ATOM 1292 CA THR A 169 33.389 22.853 44.294 1.00 31.39 C +ATOM 1293 C THR A 169 33.817 21.890 45.401 1.00 36.39 C +ATOM 1294 O THR A 169 34.966 21.443 45.455 1.00 40.26 O +ATOM 1295 CB THR A 169 33.863 24.223 44.676 1.00 27.04 C +ATOM 1296 OG1 THR A 169 33.831 25.049 43.518 1.00 34.44 O +ATOM 1297 CG2 THR A 169 35.279 24.154 45.160 1.00 47.93 C +ATOM 1298 N ARG A 170 32.867 21.602 46.285 1.00 39.17 N +ATOM 1299 CA ARG A 170 33.006 20.722 47.441 1.00 39.40 C +ATOM 1300 C ARG A 170 33.269 19.255 47.047 1.00 39.05 C +ATOM 1301 O ARG A 170 33.801 18.469 47.841 1.00 42.27 O +ATOM 1302 CB ARG A 170 31.723 20.822 48.280 1.00 37.13 C +ATOM 1303 CG ARG A 170 31.883 21.506 49.575 1.00 43.52 C +ATOM 1304 CD ARG A 170 32.637 22.782 49.429 1.00 43.49 C +ATOM 1305 NE ARG A 170 32.905 23.295 50.777 1.00 65.56 N +ATOM 1306 CZ ARG A 170 33.286 24.548 51.019 1.00 68.16 C +ATOM 1307 NH1 ARG A 170 33.447 25.392 50.003 1.00 72.19 N +ATOM 1308 NH2 ARG A 170 33.482 24.970 52.263 1.00 66.47 N +ATOM 1309 N GLY A 171 32.850 18.880 45.847 1.00 36.76 N +ATOM 1310 CA GLY A 171 33.075 17.534 45.378 1.00 31.73 C +ATOM 1311 C GLY A 171 32.403 16.395 46.090 1.00 31.75 C +ATOM 1312 O GLY A 171 32.908 15.281 45.985 1.00 34.12 O +ATOM 1313 N LYS A 172 31.229 16.617 46.691 1.00 32.70 N +ATOM 1314 CA LYS A 172 30.509 15.588 47.462 1.00 26.07 C +ATOM 1315 C LYS A 172 29.414 14.909 46.657 1.00 25.88 C +ATOM 1316 O LYS A 172 29.030 15.408 45.592 1.00 28.12 O +ATOM 1317 CB LYS A 172 29.946 16.222 48.732 1.00 24.11 C +ATOM 1318 CG LYS A 172 30.984 17.012 49.589 1.00 29.72 C +ATOM 1319 CD LYS A 172 31.390 16.387 50.970 1.00 43.08 C +ATOM 1320 CE LYS A 172 30.272 16.248 52.034 1.00 39.09 C +ATOM 1321 NZ LYS A 172 29.578 14.907 52.285 1.00 39.24 N +ATOM 1322 N ARG A 173 28.933 13.757 47.104 1.00 25.36 N +ATOM 1323 CA ARG A 173 27.839 13.078 46.405 1.00 25.41 C +ATOM 1324 C ARG A 173 26.506 13.781 46.683 1.00 25.72 C +ATOM 1325 O ARG A 173 26.420 14.559 47.641 1.00 28.61 O +ATOM 1326 CB ARG A 173 27.775 11.596 46.797 1.00 19.95 C +ATOM 1327 CG ARG A 173 28.952 10.725 46.257 1.00 24.24 C +ATOM 1328 CD ARG A 173 29.959 10.413 47.380 1.00 35.31 C +ATOM 1329 NE ARG A 173 29.938 9.015 47.843 1.00 41.73 N +ATOM 1330 CZ ARG A 173 30.353 8.570 49.036 1.00 27.64 C +ATOM 1331 NH1 ARG A 173 30.807 9.401 49.958 1.00 35.19 N +ATOM 1332 NH2 ARG A 173 30.375 7.270 49.285 1.00 34.92 N +ATOM 1333 N GLY A 174 25.490 13.560 45.849 1.00 27.49 N +ATOM 1334 CA GLY A 174 24.191 14.190 46.033 1.00 26.83 C +ATOM 1335 C GLY A 174 24.200 15.673 46.390 1.00 29.67 C +ATOM 1336 O GLY A 174 24.819 16.498 45.720 1.00 31.57 O +ATOM 1337 N GLN A 175 23.487 16.000 47.475 1.00 31.17 N +ATOM 1338 CA GLN A 175 23.317 17.347 48.011 1.00 26.63 C +ATOM 1339 C GLN A 175 23.934 17.427 49.410 1.00 26.83 C +ATOM 1340 O GLN A 175 23.525 18.268 50.229 1.00 24.45 O +ATOM 1341 CB GLN A 175 21.832 17.736 48.053 1.00 27.84 C +ATOM 1342 CG GLN A 175 21.036 17.510 46.740 1.00 23.99 C +ATOM 1343 CD GLN A 175 19.621 18.048 46.855 1.00 21.36 C +ATOM 1344 OE1 GLN A 175 19.077 18.108 47.943 1.00 25.22 O +ATOM 1345 NE2 GLN A 175 19.034 18.471 45.757 1.00 20.31 N +ATOM 1346 N ASP A 176 24.930 16.553 49.620 1.00 24.33 N +ATOM 1347 CA ASP A 176 25.757 16.442 50.837 1.00 25.50 C +ATOM 1348 C ASP A 176 26.391 17.801 51.232 1.00 23.56 C +ATOM 1349 O ASP A 176 26.293 18.193 52.403 1.00 20.37 O +ATOM 1350 CB ASP A 176 26.914 15.406 50.687 1.00 27.66 C +ATOM 1351 CG ASP A 176 26.508 13.923 50.810 1.00 25.70 C +ATOM 1352 OD1 ASP A 176 25.325 13.513 50.627 1.00 22.99 O +ATOM 1353 OD2 ASP A 176 27.466 13.159 51.075 1.00 26.21 O +ATOM 1354 N ALA A 177 27.091 18.486 50.312 1.00 24.34 N +ATOM 1355 CA ALA A 177 27.676 19.807 50.591 1.00 24.01 C +ATOM 1356 C ALA A 177 26.626 20.878 51.033 1.00 26.97 C +ATOM 1357 O ALA A 177 26.848 21.616 52.014 1.00 29.59 O +ATOM 1358 CB ALA A 177 28.530 20.288 49.399 1.00 15.96 C +ATOM 1359 N MET A 178 25.462 20.932 50.383 1.00 24.76 N +ATOM 1360 CA MET A 178 24.398 21.865 50.726 1.00 24.30 C +ATOM 1361 C MET A 178 23.910 21.556 52.144 1.00 23.02 C +ATOM 1362 O MET A 178 23.857 22.436 52.997 1.00 23.00 O +ATOM 1363 CB MET A 178 23.220 21.756 49.757 1.00 23.82 C +ATOM 1364 CG MET A 178 22.179 22.862 49.982 1.00 23.32 C +ATOM 1365 SD MET A 178 20.726 22.662 48.995 1.00 18.91 S +ATOM 1366 CE MET A 178 19.856 21.319 49.762 1.00 16.61 C +ATOM 1367 N TYR A 179 23.497 20.324 52.392 1.00 22.29 N +ATOM 1368 CA TYR A 179 23.063 19.981 53.751 1.00 23.49 C +ATOM 1369 C TYR A 179 24.149 20.102 54.856 1.00 26.23 C +ATOM 1370 O TYR A 179 23.843 20.408 56.004 1.00 28.32 O +ATOM 1371 CB TYR A 179 22.391 18.601 53.740 1.00 18.47 C +ATOM 1372 CG TYR A 179 21.019 18.689 53.101 1.00 23.56 C +ATOM 1373 CD1 TYR A 179 20.000 19.460 53.703 1.00 20.88 C +ATOM 1374 CD2 TYR A 179 20.740 18.076 51.882 1.00 18.62 C +ATOM 1375 CE1 TYR A 179 18.765 19.626 53.113 1.00 17.48 C +ATOM 1376 CE2 TYR A 179 19.492 18.223 51.288 1.00 16.53 C +ATOM 1377 CZ TYR A 179 18.512 18.997 51.903 1.00 21.58 C +ATOM 1378 OH TYR A 179 17.260 19.107 51.347 1.00 22.02 O +ATOM 1379 N GLU A 180 25.432 19.892 54.570 1.00 25.55 N +ATOM 1380 CA GLU A 180 26.412 20.019 55.622 1.00 23.33 C +ATOM 1381 C GLU A 180 26.557 21.471 55.954 1.00 23.47 C +ATOM 1382 O GLU A 180 26.800 21.829 57.094 1.00 24.91 O +ATOM 1383 CB GLU A 180 27.760 19.416 55.223 1.00 27.67 C +ATOM 1384 CG GLU A 180 28.587 20.145 54.135 1.00 48.25 C +ATOM 1385 CD GLU A 180 30.041 19.613 53.976 1.00 51.20 C +ATOM 1386 OE1 GLU A 180 30.427 18.866 54.929 1.00 42.83 O +ATOM 1387 OE2 GLU A 180 30.754 19.951 52.956 1.00 49.31 O +ATOM 1388 N TYR A 181 26.406 22.319 54.948 1.00 22.52 N +ATOM 1389 CA TYR A 181 26.510 23.750 55.140 1.00 22.57 C +ATOM 1390 C TYR A 181 25.340 24.286 55.992 1.00 23.63 C +ATOM 1391 O TYR A 181 25.508 25.100 56.906 1.00 22.80 O +ATOM 1392 CB TYR A 181 26.528 24.408 53.761 1.00 26.65 C +ATOM 1393 CG TYR A 181 26.579 25.919 53.790 1.00 27.46 C +ATOM 1394 CD1 TYR A 181 27.698 26.593 54.265 1.00 25.46 C +ATOM 1395 CD2 TYR A 181 25.550 26.659 53.269 1.00 25.73 C +ATOM 1396 CE1 TYR A 181 27.797 27.953 54.197 1.00 23.55 C +ATOM 1397 CE2 TYR A 181 25.652 28.020 53.203 1.00 22.13 C +ATOM 1398 CZ TYR A 181 26.768 28.666 53.652 1.00 22.55 C +ATOM 1399 OH TYR A 181 26.870 30.034 53.497 1.00 23.54 O +ATOM 1400 N MET A 182 24.132 23.843 55.668 1.00 21.56 N +ATOM 1401 CA MET A 182 22.945 24.220 56.417 1.00 19.45 C +ATOM 1402 C MET A 182 22.947 23.729 57.895 1.00 22.90 C +ATOM 1403 O MET A 182 22.402 24.424 58.780 1.00 26.77 O +ATOM 1404 CB MET A 182 21.722 23.735 55.633 1.00 23.67 C +ATOM 1405 CG MET A 182 21.270 24.554 54.346 1.00 21.75 C +ATOM 1406 SD MET A 182 19.902 23.706 53.450 1.00 26.08 S +ATOM 1407 CE MET A 182 19.422 24.788 51.996 1.00 19.97 C +ATOM 1408 N ALA A 183 23.533 22.549 58.158 1.00 21.23 N +ATOM 1409 CA ALA A 183 23.698 21.970 59.504 1.00 23.81 C +ATOM 1410 C ALA A 183 24.624 22.848 60.360 1.00 23.13 C +ATOM 1411 O ALA A 183 24.650 22.769 61.575 1.00 24.72 O +ATOM 1412 CB ALA A 183 24.249 20.499 59.448 1.00 17.23 C +ATOM 1413 N GLN A 184 25.412 23.703 59.734 1.00 25.68 N +ATOM 1414 CA GLN A 184 26.296 24.611 60.457 1.00 25.12 C +ATOM 1415 C GLN A 184 25.527 25.620 61.271 1.00 26.00 C +ATOM 1416 O GLN A 184 26.081 26.208 62.183 1.00 30.96 O +ATOM 1417 CB GLN A 184 27.111 25.455 59.505 1.00 24.51 C +ATOM 1418 CG GLN A 184 28.372 24.823 59.010 1.00 26.89 C +ATOM 1419 CD GLN A 184 28.973 25.665 57.905 1.00 43.60 C +ATOM 1420 OE1 GLN A 184 28.625 26.858 57.730 1.00 46.23 O +ATOM 1421 NE2 GLN A 184 29.829 25.023 57.096 1.00 43.56 N +ATOM 1422 N ALA A 185 24.341 25.945 60.777 1.00 28.35 N +ATOM 1423 CA ALA A 185 23.398 26.840 61.420 1.00 29.87 C +ATOM 1424 C ALA A 185 23.205 26.513 62.925 1.00 32.80 C +ATOM 1425 O ALA A 185 22.886 27.390 63.718 1.00 34.23 O +ATOM 1426 CB ALA A 185 22.073 26.686 60.694 1.00 28.06 C +ATOM 1427 N CYS A 186 23.311 25.247 63.325 1.00 36.48 N +ATOM 1428 CA CYS A 186 23.148 24.799 64.721 1.00 37.52 C +ATOM 1429 C CYS A 186 24.409 24.213 65.431 1.00 40.81 C +ATOM 1430 O CYS A 186 24.252 23.565 66.457 1.00 43.23 O +ATOM 1431 CB CYS A 186 21.945 23.825 64.837 1.00 28.76 C +ATOM 1432 SG CYS A 186 21.904 22.272 63.874 1.00 36.11 S +ATOM 1433 N ALA A 187 25.615 24.427 64.883 1.00 43.24 N +ATOM 1434 CA ALA A 187 26.974 24.012 65.322 1.00 45.65 C +ATOM 1435 C ALA A 187 27.461 22.700 64.708 1.00 46.64 C +ATOM 1436 O ALA A 187 27.337 22.354 63.553 1.00 45.00 O +ATOM 1437 CB ALA A 187 27.186 24.029 66.877 1.00 38.37 C +ATOM 1438 N SER A 200 22.339 18.066 70.573 1.00 55.09 N +ATOM 1439 CA SER A 200 21.521 19.031 69.784 1.00 56.03 C +ATOM 1440 C SER A 200 22.371 19.422 68.570 1.00 54.00 C +ATOM 1441 O SER A 200 23.557 19.840 68.735 1.00 58.04 O +ATOM 1442 CB SER A 200 21.202 20.282 70.626 1.00 60.27 C +ATOM 1443 OG SER A 200 20.228 21.139 70.031 1.00 70.89 O +ATOM 1444 N CYS A 201 21.716 19.255 67.417 1.00 44.73 N +ATOM 1445 CA CYS A 201 22.206 19.509 66.074 1.00 36.98 C +ATOM 1446 C CYS A 201 22.670 18.165 65.543 1.00 32.27 C +ATOM 1447 O CYS A 201 23.411 17.427 66.196 1.00 33.16 O +ATOM 1448 CB CYS A 201 23.325 20.572 65.985 1.00 30.84 C +ATOM 1449 SG CYS A 201 23.650 21.297 64.318 1.00 34.16 S +ATOM 1450 N ILE A 202 22.074 17.800 64.417 1.00 29.44 N +ATOM 1451 CA ILE A 202 22.409 16.599 63.671 1.00 25.43 C +ATOM 1452 C ILE A 202 23.421 17.087 62.644 1.00 25.07 C +ATOM 1453 O ILE A 202 23.048 17.867 61.761 1.00 27.45 O +ATOM 1454 CB ILE A 202 21.161 16.013 63.021 1.00 20.32 C +ATOM 1455 CG1 ILE A 202 20.117 15.752 64.104 1.00 16.57 C +ATOM 1456 CG2 ILE A 202 21.453 14.595 62.538 1.00 21.57 C +ATOM 1457 CD1 ILE A 202 18.705 15.825 63.534 1.00 16.17 C +ATOM 1458 N ASN A 203 24.696 16.753 62.868 1.00 25.44 N +ATOM 1459 CA ASN A 203 25.872 17.084 62.048 1.00 27.95 C +ATOM 1460 C ASN A 203 26.679 15.824 61.661 1.00 28.62 C +ATOM 1461 O ASN A 203 27.835 15.617 62.076 1.00 30.95 O +ATOM 1462 CB ASN A 203 26.804 18.041 62.799 1.00 34.74 C +ATOM 1463 CG ASN A 203 26.069 19.265 63.344 1.00 56.57 C +ATOM 1464 OD1 ASN A 203 26.167 19.607 64.536 1.00 62.23 O +ATOM 1465 ND2 ASN A 203 25.294 19.911 62.476 1.00 63.94 N +ATOM 1466 N LEU A 204 26.014 14.975 60.890 1.00 26.56 N +ATOM 1467 CA LEU A 204 26.465 13.688 60.385 1.00 24.02 C +ATOM 1468 C LEU A 204 27.456 13.764 59.208 1.00 26.49 C +ATOM 1469 O LEU A 204 27.492 14.699 58.412 1.00 27.58 O +ATOM 1470 CB LEU A 204 25.216 12.864 59.999 1.00 20.60 C +ATOM 1471 CG LEU A 204 24.518 11.854 60.939 1.00 29.28 C +ATOM 1472 CD1 LEU A 204 25.131 11.918 62.306 1.00 24.18 C +ATOM 1473 CD2 LEU A 204 23.030 11.963 60.989 1.00 22.80 C +ATOM 1474 N ASP A 205 28.347 12.801 59.116 1.00 26.78 N +ATOM 1475 CA ASP A 205 29.270 12.827 58.017 1.00 26.24 C +ATOM 1476 C ASP A 205 28.619 11.836 57.103 1.00 25.08 C +ATOM 1477 O ASP A 205 28.692 10.649 57.386 1.00 26.67 O +ATOM 1478 CB ASP A 205 30.617 12.277 58.453 1.00 35.17 C +ATOM 1479 CG ASP A 205 31.681 12.388 57.368 1.00 36.31 C +ATOM 1480 OD1 ASP A 205 31.486 11.832 56.275 1.00 42.58 O +ATOM 1481 OD2 ASP A 205 32.732 13.014 57.602 1.00 38.32 O +ATOM 1482 N TRP A 206 27.992 12.327 56.039 1.00 26.07 N +ATOM 1483 CA TRP A 206 27.350 11.480 55.063 1.00 21.27 C +ATOM 1484 C TRP A 206 28.312 10.710 54.210 1.00 22.63 C +ATOM 1485 O TRP A 206 27.955 9.635 53.742 1.00 23.36 O +ATOM 1486 CB TRP A 206 26.342 12.237 54.225 1.00 19.20 C +ATOM 1487 CG TRP A 206 25.064 12.523 55.054 1.00 12.10 C +ATOM 1488 CD1 TRP A 206 24.800 13.654 55.734 1.00 16.18 C +ATOM 1489 CD2 TRP A 206 23.964 11.641 55.321 1.00 13.10 C +ATOM 1490 NE1 TRP A 206 23.617 13.545 56.431 1.00 20.12 N +ATOM 1491 CE2 TRP A 206 23.076 12.313 56.182 1.00 16.79 C +ATOM 1492 CE3 TRP A 206 23.647 10.343 54.929 1.00 20.49 C +ATOM 1493 CZ2 TRP A 206 21.891 11.738 56.655 1.00 15.62 C +ATOM 1494 CZ3 TRP A 206 22.466 9.772 55.411 1.00 19.19 C +ATOM 1495 CH2 TRP A 206 21.606 10.465 56.263 1.00 19.36 C +ATOM 1496 N ASP A 207 29.540 11.176 54.065 1.00 21.43 N +ATOM 1497 CA ASP A 207 30.516 10.389 53.294 1.00 24.84 C +ATOM 1498 C ASP A 207 30.679 9.079 54.016 1.00 24.81 C +ATOM 1499 O ASP A 207 30.553 8.025 53.411 1.00 28.27 O +ATOM 1500 CB ASP A 207 31.888 11.045 53.250 1.00 29.12 C +ATOM 1501 CG ASP A 207 32.060 11.988 52.068 1.00 32.91 C +ATOM 1502 OD1 ASP A 207 31.571 11.710 50.945 1.00 41.00 O +ATOM 1503 OD2 ASP A 207 32.729 13.020 52.265 1.00 38.82 O +ATOM 1504 N VAL A 208 30.813 9.147 55.336 1.00 24.53 N +ATOM 1505 CA VAL A 208 30.960 7.976 56.184 1.00 24.34 C +ATOM 1506 C VAL A 208 29.711 7.152 56.218 1.00 25.73 C +ATOM 1507 O VAL A 208 29.767 5.918 56.215 1.00 29.10 O +ATOM 1508 CB VAL A 208 31.304 8.374 57.618 1.00 29.20 C +ATOM 1509 CG1 VAL A 208 31.172 7.190 58.592 1.00 27.28 C +ATOM 1510 CG2 VAL A 208 32.671 8.936 57.616 1.00 22.60 C +ATOM 1511 N ILE A 209 28.580 7.816 56.393 1.00 24.70 N +ATOM 1512 CA ILE A 209 27.370 7.038 56.346 1.00 26.00 C +ATOM 1513 C ILE A 209 27.274 6.324 54.964 1.00 27.45 C +ATOM 1514 O ILE A 209 26.839 5.176 54.872 1.00 28.05 O +ATOM 1515 CB ILE A 209 26.133 7.922 56.558 1.00 19.76 C +ATOM 1516 CG1 ILE A 209 26.162 8.571 57.931 1.00 16.75 C +ATOM 1517 CG2 ILE A 209 24.913 7.091 56.265 1.00 19.25 C +ATOM 1518 CD1 ILE A 209 25.059 9.534 58.158 1.00 10.28 C +ATOM 1519 N ARG A 210 27.611 7.013 53.876 1.00 28.38 N +ATOM 1520 CA ARG A 210 27.509 6.441 52.526 1.00 29.11 C +ATOM 1521 C ARG A 210 28.423 5.240 52.424 1.00 27.69 C +ATOM 1522 O ARG A 210 28.032 4.172 51.991 1.00 27.24 O +ATOM 1523 CB ARG A 210 27.934 7.430 51.428 1.00 26.77 C +ATOM 1524 CG ARG A 210 26.833 8.470 51.094 1.00 25.06 C +ATOM 1525 CD ARG A 210 27.403 9.759 50.441 1.00 19.03 C +ATOM 1526 NE ARG A 210 26.400 10.771 50.048 1.00 25.61 N +ATOM 1527 CZ ARG A 210 25.401 10.576 49.181 1.00 21.05 C +ATOM 1528 NH1 ARG A 210 25.180 9.403 48.603 1.00 29.48 N +ATOM 1529 NH2 ARG A 210 24.563 11.548 48.867 1.00 18.79 N +ATOM 1530 N ASP A 211 29.652 5.412 52.859 1.00 27.82 N +ATOM 1531 CA ASP A 211 30.582 4.282 52.806 1.00 28.93 C +ATOM 1532 C ASP A 211 30.207 3.048 53.691 1.00 32.48 C +ATOM 1533 O ASP A 211 30.134 1.922 53.148 1.00 30.94 O +ATOM 1534 CB ASP A 211 32.012 4.820 53.041 1.00 27.90 C +ATOM 1535 CG ASP A 211 32.432 5.942 52.032 1.00 32.81 C +ATOM 1536 OD1 ASP A 211 31.815 6.091 50.940 1.00 35.22 O +ATOM 1537 OD2 ASP A 211 33.421 6.683 52.314 1.00 36.13 O +ATOM 1538 N LYS A 212 29.914 3.233 54.999 1.00 29.40 N +ATOM 1539 CA LYS A 212 29.521 2.119 55.885 1.00 28.80 C +ATOM 1540 C LYS A 212 28.317 1.361 55.387 1.00 28.14 C +ATOM 1541 O LYS A 212 28.238 0.180 55.661 1.00 31.93 O +ATOM 1542 CB LYS A 212 29.159 2.535 57.324 1.00 26.88 C +ATOM 1543 CG LYS A 212 30.187 3.380 57.973 1.00 34.92 C +ATOM 1544 CD LYS A 212 30.092 3.259 59.460 1.00 34.60 C +ATOM 1545 CE LYS A 212 31.451 3.652 60.047 1.00 41.05 C +ATOM 1546 NZ LYS A 212 31.426 3.614 61.552 1.00 44.48 N +ATOM 1547 N THR A 213 27.346 2.045 54.778 1.00 28.18 N +ATOM 1548 CA THR A 213 26.115 1.453 54.256 1.00 28.06 C +ATOM 1549 C THR A 213 26.354 0.402 53.161 1.00 30.12 C +ATOM 1550 O THR A 213 25.742 -0.669 53.127 1.00 30.97 O +ATOM 1551 CB THR A 213 25.254 2.584 53.685 1.00 26.01 C +ATOM 1552 OG1 THR A 213 24.980 3.543 54.722 1.00 27.05 O +ATOM 1553 CG2 THR A 213 23.989 2.006 53.092 1.00 27.05 C +ATOM 1554 N LYS A 214 27.250 0.762 52.245 1.00 35.05 N +ATOM 1555 CA LYS A 214 27.692 -0.075 51.125 1.00 35.87 C +ATOM 1556 C LYS A 214 28.371 -1.307 51.726 1.00 32.05 C +ATOM 1557 O LYS A 214 27.880 -2.415 51.546 1.00 34.93 O +ATOM 1558 CB LYS A 214 28.634 0.713 50.215 1.00 39.64 C +ATOM 1559 CG LYS A 214 28.541 0.238 48.773 1.00 50.56 C +ATOM 1560 CD LYS A 214 27.059 0.088 48.340 1.00 59.05 C +ATOM 1561 CE LYS A 214 26.711 -1.291 47.740 1.00 56.24 C +ATOM 1562 NZ LYS A 214 25.220 -1.498 47.736 1.00 58.76 N +ATOM 1563 N THR A 215 29.429 -1.109 52.509 1.00 31.53 N +ATOM 1564 CA THR A 215 30.107 -2.199 53.200 1.00 29.96 C +ATOM 1565 C THR A 215 29.126 -3.175 53.840 1.00 34.89 C +ATOM 1566 O THR A 215 29.317 -4.374 53.746 1.00 35.65 O +ATOM 1567 CB THR A 215 30.880 -1.616 54.363 1.00 32.79 C +ATOM 1568 OG1 THR A 215 31.877 -0.727 53.863 1.00 42.35 O +ATOM 1569 CG2 THR A 215 31.530 -2.695 55.212 1.00 38.79 C +ATOM 1570 N LYS A 216 28.091 -2.649 54.506 1.00 37.04 N +ATOM 1571 CA LYS A 216 27.079 -3.397 55.238 1.00 32.96 C +ATOM 1572 C LYS A 216 26.146 -4.108 54.326 1.00 34.02 C +ATOM 1573 O LYS A 216 25.822 -5.270 54.615 1.00 35.45 O +ATOM 1574 CB LYS A 216 26.271 -2.502 56.214 1.00 35.36 C +ATOM 1575 CG LYS A 216 27.136 -2.039 57.408 1.00 24.84 C +ATOM 1576 CD LYS A 216 26.569 -0.964 58.296 1.00 34.48 C +ATOM 1577 CE LYS A 216 27.515 -0.683 59.486 1.00 40.13 C +ATOM 1578 NZ LYS A 216 27.534 -1.833 60.510 1.00 33.96 N +ATOM 1579 N ILE A 217 25.679 -3.423 53.280 1.00 33.93 N +ATOM 1580 CA ILE A 217 24.766 -4.078 52.352 1.00 34.82 C +ATOM 1581 C ILE A 217 25.528 -5.288 51.784 1.00 35.72 C +ATOM 1582 O ILE A 217 25.009 -6.430 51.803 1.00 34.69 O +ATOM 1583 CB ILE A 217 24.379 -3.133 51.216 1.00 41.95 C +ATOM 1584 CG1 ILE A 217 23.301 -2.162 51.689 1.00 35.40 C +ATOM 1585 CG2 ILE A 217 23.835 -3.907 50.028 1.00 38.79 C +ATOM 1586 CD1 ILE A 217 23.060 -1.012 50.707 1.00 22.67 C +ATOM 1587 N GLU A 218 26.781 -5.055 51.374 1.00 34.86 N +ATOM 1588 CA GLU A 218 27.620 -6.149 50.819 1.00 41.30 C +ATOM 1589 C GLU A 218 27.812 -7.343 51.740 1.00 42.46 C +ATOM 1590 O GLU A 218 27.501 -8.470 51.366 1.00 46.25 O +ATOM 1591 CB GLU A 218 28.985 -5.669 50.337 1.00 36.98 C +ATOM 1592 CG GLU A 218 28.872 -4.783 49.070 1.00 46.44 C +ATOM 1593 CD GLU A 218 30.050 -3.792 48.890 1.00 51.60 C +ATOM 1594 OE1 GLU A 218 30.966 -3.788 49.764 1.00 64.14 O +ATOM 1595 OE2 GLU A 218 30.072 -3.017 47.893 1.00 55.25 O +ATOM 1596 N SER A 219 28.217 -7.070 52.974 1.00 44.52 N +ATOM 1597 CA SER A 219 28.423 -8.071 54.020 1.00 43.17 C +ATOM 1598 C SER A 219 27.147 -8.859 54.346 1.00 44.36 C +ATOM 1599 O SER A 219 27.203 -10.085 54.533 1.00 47.64 O +ATOM 1600 CB SER A 219 29.018 -7.376 55.268 1.00 44.43 C +ATOM 1601 OG SER A 219 29.680 -8.205 56.211 1.00 44.86 O +ATOM 1602 N LEU A 220 25.989 -8.204 54.370 1.00 43.37 N +ATOM 1603 CA LEU A 220 24.761 -8.903 54.718 1.00 43.13 C +ATOM 1604 C LEU A 220 24.384 -9.925 53.654 1.00 42.52 C +ATOM 1605 O LEU A 220 23.757 -10.956 53.924 1.00 40.28 O +ATOM 1606 CB LEU A 220 23.616 -7.891 54.877 1.00 52.43 C +ATOM 1607 CG LEU A 220 23.326 -7.045 56.124 1.00 49.62 C +ATOM 1608 CD1 LEU A 220 24.324 -7.343 57.203 1.00 39.37 C +ATOM 1609 CD2 LEU A 220 23.309 -5.568 55.742 1.00 50.05 C +ATOM 1610 N LYS A 221 24.732 -9.567 52.426 1.00 43.31 N +ATOM 1611 CA LYS A 221 24.428 -10.388 51.261 1.00 45.40 C +ATOM 1612 C LYS A 221 25.163 -11.729 51.326 1.00 44.92 C +ATOM 1613 O LYS A 221 24.623 -12.796 51.076 1.00 39.79 O +ATOM 1614 CB LYS A 221 24.772 -9.571 50.006 1.00 50.65 C +ATOM 1615 CG LYS A 221 23.829 -8.361 49.760 1.00 48.08 C +ATOM 1616 CD LYS A 221 23.975 -7.744 48.347 1.00 42.88 C +ATOM 1617 CE LYS A 221 22.824 -6.786 47.997 1.00 46.82 C +ATOM 1618 NZ LYS A 221 21.439 -7.400 47.985 1.00 58.58 N +ATOM 1619 N GLU A 222 26.399 -11.640 51.790 1.00 48.75 N +ATOM 1620 CA GLU A 222 27.285 -12.790 51.951 1.00 51.85 C +ATOM 1621 C GLU A 222 26.894 -13.637 53.123 1.00 50.10 C +ATOM 1622 O GLU A 222 27.305 -14.782 53.223 1.00 54.93 O +ATOM 1623 CB GLU A 222 28.743 -12.385 52.259 1.00 52.94 C +ATOM 1624 CG GLU A 222 29.380 -11.386 51.316 1.00 59.10 C +ATOM 1625 CD GLU A 222 28.949 -11.632 49.889 1.00 71.26 C +ATOM 1626 OE1 GLU A 222 29.485 -12.622 49.333 1.00 70.49 O +ATOM 1627 OE2 GLU A 222 28.078 -10.878 49.370 1.00 76.35 O +ATOM 1628 N HIS A 223 26.195 -13.043 54.067 1.00 50.08 N +ATOM 1629 CA HIS A 223 25.856 -13.759 55.276 1.00 49.08 C +ATOM 1630 C HIS A 223 25.037 -15.001 55.001 1.00 46.62 C +ATOM 1631 O HIS A 223 23.971 -14.934 54.415 1.00 48.07 O +ATOM 1632 CB HIS A 223 25.151 -12.802 56.205 1.00 54.08 C +ATOM 1633 CG HIS A 223 25.041 -13.300 57.598 1.00 49.35 C +ATOM 1634 ND1 HIS A 223 26.116 -13.314 58.464 1.00 42.28 N +ATOM 1635 CD2 HIS A 223 23.962 -13.709 58.310 1.00 48.00 C +ATOM 1636 CE1 HIS A 223 25.692 -13.694 59.656 1.00 53.09 C +ATOM 1637 NE2 HIS A 223 24.394 -13.937 59.592 1.00 53.47 N +ATOM 1638 N GLY A 224 25.572 -16.141 55.410 1.00 45.40 N +ATOM 1639 CA GLY A 224 24.916 -17.402 55.146 1.00 44.60 C +ATOM 1640 C GLY A 224 23.467 -17.568 55.547 1.00 47.21 C +ATOM 1641 O GLY A 224 22.671 -18.045 54.739 1.00 48.44 O +ATOM 1642 N PRO A 225 23.089 -17.241 56.792 1.00 49.06 N +ATOM 1643 CA PRO A 225 21.691 -17.380 57.235 1.00 50.12 C +ATOM 1644 C PRO A 225 20.735 -16.436 56.512 1.00 48.57 C +ATOM 1645 O PRO A 225 19.544 -16.742 56.412 1.00 47.98 O +ATOM 1646 CB PRO A 225 21.771 -17.112 58.740 1.00 57.03 C +ATOM 1647 CG PRO A 225 23.225 -17.496 59.083 1.00 52.22 C +ATOM 1648 CD PRO A 225 23.982 -16.919 57.922 1.00 47.79 C +ATOM 1649 N ILE A 226 21.292 -15.320 56.032 1.00 48.93 N +ATOM 1650 CA ILE A 226 20.608 -14.292 55.247 1.00 50.09 C +ATOM 1651 C ILE A 226 20.445 -14.925 53.866 1.00 52.32 C +ATOM 1652 O ILE A 226 19.305 -15.167 53.461 1.00 52.34 O +ATOM 1653 CB ILE A 226 21.452 -13.002 55.185 1.00 50.75 C +ATOM 1654 CG1 ILE A 226 21.154 -12.152 56.428 1.00 52.71 C +ATOM 1655 CG2 ILE A 226 21.253 -12.261 53.881 1.00 43.78 C +ATOM 1656 CD1 ILE A 226 22.236 -11.109 56.796 1.00 45.65 C +ATOM 1657 N LYS A 227 21.560 -15.278 53.209 1.00 53.38 N +ATOM 1658 CA LYS A 227 21.592 -15.959 51.906 1.00 52.05 C +ATOM 1659 C LYS A 227 20.637 -17.129 51.831 1.00 54.27 C +ATOM 1660 O LYS A 227 20.243 -17.538 50.747 1.00 55.29 O +ATOM 1661 CB LYS A 227 22.960 -16.515 51.629 1.00 42.24 C +ATOM 1662 CG LYS A 227 23.851 -15.435 51.195 1.00 53.72 C +ATOM 1663 CD LYS A 227 25.195 -16.023 50.925 1.00 58.26 C +ATOM 1664 CE LYS A 227 25.104 -17.154 49.930 1.00 62.43 C +ATOM 1665 NZ LYS A 227 26.456 -17.774 49.857 1.00 69.42 N +ATOM 1666 N ASN A 228 20.352 -17.678 53.008 1.00 56.85 N +ATOM 1667 CA ASN A 228 19.414 -18.769 53.282 1.00 59.57 C +ATOM 1668 C ASN A 228 17.982 -18.260 53.484 1.00 59.37 C +ATOM 1669 O ASN A 228 17.036 -18.827 52.934 1.00 59.65 O +ATOM 1670 CB ASN A 228 19.784 -19.466 54.602 1.00 70.59 C +ATOM 1671 CG ASN A 228 20.366 -20.885 54.436 1.00 77.84 C +ATOM 1672 OD1 ASN A 228 21.037 -21.373 55.366 1.00 83.30 O +ATOM 1673 ND2 ASN A 228 20.093 -21.561 53.302 1.00 80.92 N +ATOM 1674 N LYS A 229 17.811 -17.260 54.348 1.00 57.41 N +ATOM 1675 CA LYS A 229 16.495 -16.710 54.622 1.00 55.06 C +ATOM 1676 C LYS A 229 15.895 -16.370 53.262 1.00 55.41 C +ATOM 1677 O LYS A 229 14.700 -16.532 52.983 1.00 54.23 O +ATOM 1678 CB LYS A 229 16.645 -15.449 55.476 1.00 54.56 C +ATOM 1679 CG LYS A 229 15.353 -15.099 56.115 1.00 50.01 C +ATOM 1680 CD LYS A 229 14.812 -16.376 56.731 1.00 56.09 C +ATOM 1681 CE LYS A 229 13.348 -16.236 57.120 1.00 61.86 C +ATOM 1682 NZ LYS A 229 12.486 -15.924 55.943 1.00 61.87 N +ATOM 1683 N MET A 230 16.798 -15.955 52.390 1.00 54.31 N +ATOM 1684 CA MET A 230 16.445 -15.575 51.042 1.00 56.53 C +ATOM 1685 C MET A 230 15.979 -16.767 50.238 1.00 59.26 C +ATOM 1686 O MET A 230 15.191 -16.605 49.301 1.00 59.21 O +ATOM 1687 CB MET A 230 17.676 -14.986 50.376 1.00 56.35 C +ATOM 1688 CG MET A 230 18.151 -13.675 50.974 1.00 55.19 C +ATOM 1689 SD MET A 230 19.691 -13.232 50.196 1.00 54.58 S +ATOM 1690 CE MET A 230 19.805 -11.548 50.568 1.00 64.51 C +ATOM 1691 N SER A 231 16.532 -17.932 50.584 1.00 62.36 N +ATOM 1692 CA SER A 231 16.251 -19.222 49.939 1.00 64.20 C +ATOM 1693 C SER A 231 14.841 -19.666 50.285 1.00 64.47 C +ATOM 1694 O SER A 231 14.278 -20.474 49.529 1.00 67.52 O +ATOM 1695 CB SER A 231 17.237 -20.345 50.351 1.00 67.95 C +ATOM 1696 OG SER A 231 18.446 -20.386 49.595 1.00 65.72 O +ATOM 1697 N GLU A 232 14.317 -19.185 51.421 1.00 62.62 N +ATOM 1698 CA GLU A 232 12.939 -19.476 51.841 1.00 63.15 C +ATOM 1699 C GLU A 232 11.954 -18.593 51.070 1.00 63.58 C +ATOM 1700 O GLU A 232 10.767 -18.936 50.982 1.00 65.61 O +ATOM 1701 CB GLU A 232 12.686 -19.197 53.327 1.00 66.60 C +ATOM 1702 CG GLU A 232 12.801 -20.378 54.279 1.00 64.93 C +ATOM 1703 CD GLU A 232 14.242 -20.733 54.582 1.00 72.51 C +ATOM 1704 OE1 GLU A 232 14.870 -21.387 53.711 1.00 77.11 O +ATOM 1705 OE2 GLU A 232 14.732 -20.345 55.673 1.00 67.25 O +ATOM 1706 N SER A 233 12.450 -17.463 50.551 1.00 63.32 N +ATOM 1707 CA SER A 233 11.680 -16.465 49.799 1.00 61.92 C +ATOM 1708 C SER A 233 10.968 -17.010 48.581 1.00 61.74 C +ATOM 1709 O SER A 233 11.635 -17.620 47.742 1.00 63.95 O +ATOM 1710 CB SER A 233 12.608 -15.349 49.319 1.00 61.38 C +ATOM 1711 OG SER A 233 11.928 -14.466 48.443 1.00 61.88 O +ATOM 1712 N PRO A 234 9.650 -16.735 48.433 1.00 62.24 N +ATOM 1713 CA PRO A 234 8.856 -17.201 47.286 1.00 60.54 C +ATOM 1714 C PRO A 234 9.448 -16.776 45.922 1.00 62.12 C +ATOM 1715 O PRO A 234 9.160 -17.412 44.910 1.00 64.39 O +ATOM 1716 CB PRO A 234 7.477 -16.575 47.534 1.00 57.12 C +ATOM 1717 CG PRO A 234 7.418 -16.398 49.026 1.00 57.25 C +ATOM 1718 CD PRO A 234 8.814 -15.930 49.351 1.00 60.80 C +ATOM 1719 N ASN A 235 10.279 -15.728 45.899 1.00 62.50 N +ATOM 1720 CA ASN A 235 10.970 -15.178 44.719 1.00 61.87 C +ATOM 1721 C ASN A 235 10.108 -14.980 43.460 1.00 63.34 C +ATOM 1722 O ASN A 235 10.552 -15.028 42.289 1.00 63.11 O +ATOM 1723 CB ASN A 235 12.247 -15.972 44.419 1.00 59.64 C +ATOM 1724 CG ASN A 235 13.275 -15.188 43.606 1.00 64.99 C +ATOM 1725 OD1 ASN A 235 14.443 -15.584 43.538 1.00 67.61 O +ATOM 1726 ND2 ASN A 235 12.860 -14.089 42.983 1.00 65.42 N +ATOM 1727 N LYS A 236 8.858 -14.648 43.762 1.00 62.88 N +ATOM 1728 CA LYS A 236 7.843 -14.373 42.763 1.00 63.45 C +ATOM 1729 C LYS A 236 6.695 -13.823 43.604 1.00 62.01 C +ATOM 1730 O LYS A 236 6.651 -13.981 44.823 1.00 62.09 O +ATOM 1731 CB LYS A 236 7.476 -15.662 41.993 1.00 68.15 C +ATOM 1732 CG LYS A 236 6.321 -15.596 40.978 1.00 68.46 C +ATOM 1733 CD LYS A 236 5.043 -16.222 41.585 1.00 74.57 C +ATOM 1734 CE LYS A 236 3.756 -16.003 40.745 1.00 78.14 C +ATOM 1735 NZ LYS A 236 2.434 -16.183 41.484 1.00 68.11 N +ATOM 1736 N THR A 237 5.827 -13.105 42.912 1.00 62.99 N +ATOM 1737 CA THR A 237 4.639 -12.450 43.425 1.00 63.17 C +ATOM 1738 C THR A 237 3.777 -13.294 44.385 1.00 64.01 C +ATOM 1739 O THR A 237 3.313 -14.391 44.080 1.00 64.62 O +ATOM 1740 CB THR A 237 3.878 -11.880 42.185 1.00 64.96 C +ATOM 1741 OG1 THR A 237 4.849 -11.417 41.219 1.00 72.73 O +ATOM 1742 CG2 THR A 237 2.936 -10.721 42.555 1.00 58.84 C +ATOM 1743 N VAL A 238 3.539 -12.710 45.553 1.00 64.63 N +ATOM 1744 CA VAL A 238 2.819 -13.288 46.671 1.00 64.68 C +ATOM 1745 C VAL A 238 2.084 -12.058 47.234 1.00 65.70 C +ATOM 1746 O VAL A 238 2.565 -10.938 47.041 1.00 68.96 O +ATOM 1747 CB VAL A 238 3.927 -13.848 47.640 1.00 66.77 C +ATOM 1748 CG1 VAL A 238 4.769 -12.726 48.258 1.00 66.95 C +ATOM 1749 CG2 VAL A 238 3.358 -14.723 48.738 1.00 78.74 C +ATOM 1750 N SER A 239 0.927 -12.197 47.881 1.00 65.02 N +ATOM 1751 CA SER A 239 0.272 -11.006 48.432 1.00 65.36 C +ATOM 1752 C SER A 239 1.161 -10.358 49.503 1.00 66.33 C +ATOM 1753 O SER A 239 1.907 -11.070 50.190 1.00 63.58 O +ATOM 1754 CB SER A 239 -1.095 -11.328 49.041 1.00 64.09 C +ATOM 1755 OG SER A 239 -0.960 -12.207 50.139 1.00 65.71 O +ATOM 1756 N GLU A 240 1.066 -9.028 49.650 1.00 68.69 N +ATOM 1757 CA GLU A 240 1.868 -8.289 50.633 1.00 67.74 C +ATOM 1758 C GLU A 240 1.626 -9.008 51.943 1.00 65.58 C +ATOM 1759 O GLU A 240 2.533 -9.092 52.757 1.00 66.69 O +ATOM 1760 CB GLU A 240 1.522 -6.781 50.749 1.00 70.85 C +ATOM 1761 CG GLU A 240 1.225 -6.143 52.175 1.00 79.06 C +ATOM 1762 CD GLU A 240 2.414 -5.786 53.130 1.00 84.78 C +ATOM 1763 OE1 GLU A 240 3.476 -6.449 53.117 1.00 85.15 O +ATOM 1764 OE2 GLU A 240 2.287 -4.839 53.958 1.00 85.67 O +ATOM 1765 N GLU A 241 0.444 -9.579 52.130 1.00 62.10 N +ATOM 1766 CA GLU A 241 0.225 -10.249 53.394 1.00 62.50 C +ATOM 1767 C GLU A 241 1.318 -11.313 53.583 1.00 61.93 C +ATOM 1768 O GLU A 241 2.009 -11.276 54.605 1.00 62.65 O +ATOM 1769 CB GLU A 241 -1.216 -10.762 53.472 1.00 68.71 C +ATOM 1770 CG GLU A 241 -1.875 -10.773 54.875 1.00 77.29 C +ATOM 1771 CD GLU A 241 -1.715 -12.094 55.682 1.00 84.37 C +ATOM 1772 OE1 GLU A 241 -1.513 -13.195 55.090 1.00 84.92 O +ATOM 1773 OE2 GLU A 241 -1.812 -12.026 56.937 1.00 83.35 O +ATOM 1774 N LYS A 242 1.571 -12.184 52.602 1.00 59.53 N +ATOM 1775 CA LYS A 242 2.638 -13.170 52.775 1.00 57.79 C +ATOM 1776 C LYS A 242 4.006 -12.525 52.503 1.00 54.55 C +ATOM 1777 O LYS A 242 5.029 -12.949 53.053 1.00 54.49 O +ATOM 1778 CB LYS A 242 2.380 -14.476 51.990 1.00 64.11 C +ATOM 1779 CG LYS A 242 3.478 -15.594 52.057 1.00 72.81 C +ATOM 1780 CD LYS A 242 4.102 -15.955 53.466 1.00 81.42 C +ATOM 1781 CE LYS A 242 5.453 -16.775 53.415 1.00 79.94 C +ATOM 1782 NZ LYS A 242 6.409 -16.806 54.612 1.00 69.59 N +ATOM 1783 N ALA A 243 4.035 -11.464 51.707 1.00 51.96 N +ATOM 1784 CA ALA A 243 5.279 -10.745 51.458 1.00 48.02 C +ATOM 1785 C ALA A 243 5.683 -10.025 52.782 1.00 46.77 C +ATOM 1786 O ALA A 243 6.848 -9.949 53.174 1.00 45.27 O +ATOM 1787 CB ALA A 243 5.054 -9.773 50.298 1.00 41.66 C +ATOM 1788 N LYS A 244 4.696 -9.599 53.560 1.00 47.18 N +ATOM 1789 CA LYS A 244 4.927 -8.909 54.824 1.00 48.76 C +ATOM 1790 C LYS A 244 5.550 -9.976 55.708 1.00 47.45 C +ATOM 1791 O LYS A 244 6.603 -9.777 56.292 1.00 47.09 O +ATOM 1792 CB LYS A 244 3.587 -8.396 55.401 1.00 55.00 C +ATOM 1793 CG LYS A 244 3.157 -8.882 56.831 1.00 74.66 C +ATOM 1794 CD LYS A 244 1.792 -9.678 56.959 1.00 70.26 C +ATOM 1795 CE LYS A 244 0.700 -9.082 57.915 1.00 62.00 C +ATOM 1796 NZ LYS A 244 -0.240 -7.984 57.430 1.00 53.80 N +ATOM 1797 N GLN A 245 4.913 -11.142 55.738 1.00 49.76 N +ATOM 1798 CA GLN A 245 5.370 -12.278 56.522 1.00 48.88 C +ATOM 1799 C GLN A 245 6.781 -12.714 56.173 1.00 48.53 C +ATOM 1800 O GLN A 245 7.610 -12.858 57.070 1.00 50.13 O +ATOM 1801 CB GLN A 245 4.420 -13.446 56.311 1.00 55.24 C +ATOM 1802 CG GLN A 245 3.875 -14.026 57.610 1.00 69.89 C +ATOM 1803 CD GLN A 245 4.622 -15.270 58.109 1.00 75.91 C +ATOM 1804 OE1 GLN A 245 4.499 -16.345 57.494 1.00 75.49 O +ATOM 1805 NE2 GLN A 245 5.359 -15.144 59.240 1.00 62.14 N +ATOM 1806 N TYR A 246 7.081 -12.937 54.894 1.00 47.82 N +ATOM 1807 CA TYR A 246 8.444 -13.341 54.552 1.00 45.28 C +ATOM 1808 C TYR A 246 9.411 -12.262 55.091 1.00 42.64 C +ATOM 1809 O TYR A 246 10.394 -12.565 55.789 1.00 44.69 O +ATOM 1810 CB TYR A 246 8.627 -13.620 53.025 1.00 43.05 C +ATOM 1811 CG TYR A 246 10.092 -13.827 52.642 1.00 42.61 C +ATOM 1812 CD1 TYR A 246 10.854 -14.867 53.184 1.00 43.37 C +ATOM 1813 CD2 TYR A 246 10.784 -12.862 51.919 1.00 39.38 C +ATOM 1814 CE1 TYR A 246 12.264 -14.914 53.038 1.00 43.32 C +ATOM 1815 CE2 TYR A 246 12.175 -12.906 51.780 1.00 43.12 C +ATOM 1816 CZ TYR A 246 12.914 -13.922 52.342 1.00 42.77 C +ATOM 1817 OH TYR A 246 14.281 -13.852 52.232 1.00 36.63 O +ATOM 1818 N LEU A 247 9.046 -11.000 54.855 1.00 41.84 N +ATOM 1819 CA LEU A 247 9.846 -9.816 55.176 1.00 39.12 C +ATOM 1820 C LEU A 247 10.209 -9.556 56.649 1.00 36.86 C +ATOM 1821 O LEU A 247 11.352 -9.176 56.968 1.00 35.44 O +ATOM 1822 CB LEU A 247 9.220 -8.609 54.448 1.00 39.99 C +ATOM 1823 CG LEU A 247 9.598 -8.670 52.963 1.00 32.90 C +ATOM 1824 CD1 LEU A 247 8.852 -7.682 52.125 1.00 35.01 C +ATOM 1825 CD2 LEU A 247 11.086 -8.400 52.815 1.00 32.48 C +ATOM 1826 N GLU A 248 9.256 -9.842 57.533 1.00 35.57 N +ATOM 1827 CA GLU A 248 9.421 -9.704 58.982 1.00 36.73 C +ATOM 1828 C GLU A 248 10.395 -10.751 59.499 1.00 39.50 C +ATOM 1829 O GLU A 248 11.116 -10.495 60.480 1.00 39.38 O +ATOM 1830 CB GLU A 248 8.087 -9.880 59.700 1.00 34.49 C +ATOM 1831 CG GLU A 248 7.148 -8.713 59.517 1.00 37.11 C +ATOM 1832 CD GLU A 248 6.013 -8.698 60.516 1.00 44.28 C +ATOM 1833 OE1 GLU A 248 6.217 -9.085 61.722 1.00 42.93 O +ATOM 1834 OE2 GLU A 248 4.925 -8.276 60.027 1.00 45.74 O +ATOM 1835 N GLU A 249 10.330 -11.940 58.884 1.00 41.13 N +ATOM 1836 CA GLU A 249 11.214 -13.064 59.204 1.00 41.15 C +ATOM 1837 C GLU A 249 12.607 -12.699 58.663 1.00 38.33 C +ATOM 1838 O GLU A 249 13.628 -12.772 59.365 1.00 38.64 O +ATOM 1839 CB GLU A 249 10.748 -14.346 58.505 1.00 48.58 C +ATOM 1840 CG GLU A 249 9.420 -15.006 58.848 1.00 45.79 C +ATOM 1841 CD GLU A 249 9.193 -16.204 57.901 1.00 64.78 C +ATOM 1842 OE1 GLU A 249 10.210 -16.815 57.457 1.00 71.23 O +ATOM 1843 OE2 GLU A 249 8.022 -16.540 57.558 1.00 64.78 O +ATOM 1844 N PHE A 250 12.635 -12.236 57.419 1.00 35.85 N +ATOM 1845 CA PHE A 250 13.899 -11.821 56.843 1.00 35.23 C +ATOM 1846 C PHE A 250 14.608 -10.723 57.675 1.00 35.90 C +ATOM 1847 O PHE A 250 15.847 -10.701 57.894 1.00 34.60 O +ATOM 1848 CB PHE A 250 13.643 -11.385 55.404 1.00 37.45 C +ATOM 1849 CG PHE A 250 14.892 -11.000 54.703 1.00 37.77 C +ATOM 1850 CD1 PHE A 250 15.723 -11.970 54.194 1.00 39.48 C +ATOM 1851 CD2 PHE A 250 15.270 -9.679 54.631 1.00 31.84 C +ATOM 1852 CE1 PHE A 250 16.906 -11.616 53.634 1.00 36.95 C +ATOM 1853 CE2 PHE A 250 16.445 -9.325 54.073 1.00 22.16 C +ATOM 1854 CZ PHE A 250 17.272 -10.296 53.572 1.00 40.71 C +ATOM 1855 N HIS A 251 13.794 -9.760 58.102 1.00 34.38 N +ATOM 1856 CA HIS A 251 14.267 -8.674 58.958 1.00 35.94 C +ATOM 1857 C HIS A 251 14.809 -9.251 60.274 1.00 36.89 C +ATOM 1858 O HIS A 251 15.882 -8.851 60.749 1.00 35.22 O +ATOM 1859 CB HIS A 251 13.105 -7.727 59.298 1.00 30.45 C +ATOM 1860 CG HIS A 251 13.468 -6.696 60.318 1.00 28.98 C +ATOM 1861 ND1 HIS A 251 13.294 -6.900 61.671 1.00 33.34 N +ATOM 1862 CD2 HIS A 251 13.987 -5.452 60.184 1.00 26.75 C +ATOM 1863 CE1 HIS A 251 13.683 -5.817 62.320 1.00 39.85 C +ATOM 1864 NE2 HIS A 251 14.108 -4.925 61.443 1.00 27.13 N +ATOM 1865 N GLN A 252 14.023 -10.181 60.832 1.00 39.73 N +ATOM 1866 CA GLN A 252 14.309 -10.833 62.102 1.00 42.16 C +ATOM 1867 C GLN A 252 15.619 -11.571 62.097 1.00 42.05 C +ATOM 1868 O GLN A 252 16.258 -11.637 63.139 1.00 44.60 O +ATOM 1869 CB GLN A 252 13.158 -11.716 62.577 1.00 45.14 C +ATOM 1870 CG GLN A 252 13.488 -12.987 63.404 1.00 60.13 C +ATOM 1871 CD GLN A 252 12.598 -14.196 62.970 1.00 71.39 C +ATOM 1872 OE1 GLN A 252 13.067 -15.203 62.390 1.00 67.66 O +ATOM 1873 NE2 GLN A 252 11.288 -14.071 63.220 1.00 69.04 N +ATOM 1874 N THR A 253 16.029 -12.032 60.918 1.00 44.48 N +ATOM 1875 CA THR A 253 17.299 -12.740 60.683 1.00 42.88 C +ATOM 1876 C THR A 253 18.493 -11.856 60.298 1.00 39.03 C +ATOM 1877 O THR A 253 19.633 -12.167 60.613 1.00 38.36 O +ATOM 1878 CB THR A 253 17.138 -13.737 59.526 1.00 50.71 C +ATOM 1879 OG1 THR A 253 15.839 -14.345 59.608 1.00 51.71 O +ATOM 1880 CG2 THR A 253 18.257 -14.773 59.555 1.00 47.78 C +ATOM 1881 N ALA A 254 18.239 -10.789 59.551 1.00 38.10 N +ATOM 1882 CA ALA A 254 19.292 -9.881 59.131 1.00 34.44 C +ATOM 1883 C ALA A 254 19.770 -9.054 60.314 1.00 34.13 C +ATOM 1884 O ALA A 254 20.928 -8.646 60.390 1.00 33.08 O +ATOM 1885 CB ALA A 254 18.733 -8.964 58.047 1.00 33.57 C +ATOM 1886 N LEU A 255 18.836 -8.733 61.200 1.00 36.53 N +ATOM 1887 CA LEU A 255 19.146 -7.925 62.371 1.00 37.22 C +ATOM 1888 C LEU A 255 20.018 -8.679 63.396 1.00 37.29 C +ATOM 1889 O LEU A 255 20.549 -8.104 64.326 1.00 38.50 O +ATOM 1890 CB LEU A 255 17.812 -7.420 62.943 1.00 44.11 C +ATOM 1891 CG LEU A 255 17.918 -6.292 63.974 1.00 36.78 C +ATOM 1892 CD1 LEU A 255 18.751 -5.157 63.399 1.00 20.30 C +ATOM 1893 CD2 LEU A 255 16.547 -5.874 64.382 1.00 28.85 C +ATOM 1894 N GLU A 256 20.201 -9.979 63.206 1.00 37.04 N +ATOM 1895 CA GLU A 256 21.059 -10.778 64.056 1.00 37.42 C +ATOM 1896 C GLU A 256 22.499 -10.715 63.555 1.00 38.03 C +ATOM 1897 O GLU A 256 23.412 -11.300 64.123 1.00 39.42 O +ATOM 1898 CB GLU A 256 20.634 -12.226 63.981 1.00 36.99 C +ATOM 1899 CG GLU A 256 19.301 -12.517 64.605 1.00 50.65 C +ATOM 1900 CD GLU A 256 19.296 -13.887 65.279 1.00 66.43 C +ATOM 1901 OE1 GLU A 256 19.888 -14.854 64.705 1.00 72.26 O +ATOM 1902 OE2 GLU A 256 18.726 -13.958 66.403 1.00 71.12 O +ATOM 1903 N HIS A 257 22.704 -10.005 62.459 1.00 37.49 N +ATOM 1904 CA HIS A 257 24.015 -9.883 61.883 1.00 33.63 C +ATOM 1905 C HIS A 257 24.762 -8.929 62.768 1.00 36.10 C +ATOM 1906 O HIS A 257 24.307 -7.836 63.062 1.00 39.25 O +ATOM 1907 CB HIS A 257 23.876 -9.279 60.492 1.00 30.15 C +ATOM 1908 CG HIS A 257 25.106 -9.388 59.661 1.00 25.14 C +ATOM 1909 ND1 HIS A 257 26.259 -8.686 59.935 1.00 35.81 N +ATOM 1910 CD2 HIS A 257 25.379 -10.149 58.573 1.00 33.03 C +ATOM 1911 CE1 HIS A 257 27.196 -9.020 59.059 1.00 30.04 C +ATOM 1912 NE2 HIS A 257 26.686 -9.905 58.220 1.00 27.84 N +ATOM 1913 N PRO A 258 25.961 -9.319 63.172 1.00 38.00 N +ATOM 1914 CA PRO A 258 26.899 -8.584 64.026 1.00 37.16 C +ATOM 1915 C PRO A 258 27.204 -7.165 63.572 1.00 37.58 C +ATOM 1916 O PRO A 258 27.666 -6.318 64.358 1.00 37.43 O +ATOM 1917 CB PRO A 258 28.154 -9.456 64.007 1.00 38.60 C +ATOM 1918 CG PRO A 258 27.901 -10.527 63.008 1.00 42.30 C +ATOM 1919 CD PRO A 258 26.412 -10.703 62.988 1.00 38.32 C +ATOM 1920 N GLU A 259 26.861 -6.879 62.323 1.00 36.53 N +ATOM 1921 CA GLU A 259 27.114 -5.541 61.795 1.00 35.54 C +ATOM 1922 C GLU A 259 25.951 -4.552 61.910 1.00 32.75 C +ATOM 1923 O GLU A 259 26.068 -3.365 61.627 1.00 31.24 O +ATOM 1924 CB GLU A 259 27.583 -5.677 60.364 1.00 40.28 C +ATOM 1925 CG GLU A 259 28.956 -6.289 60.295 1.00 51.42 C +ATOM 1926 CD GLU A 259 29.808 -5.556 59.289 1.00 55.33 C +ATOM 1927 OE1 GLU A 259 29.984 -4.309 59.466 1.00 57.92 O +ATOM 1928 OE2 GLU A 259 30.244 -6.258 58.343 1.00 50.51 O +ATOM 1929 N LEU A 260 24.823 -5.099 62.322 1.00 33.54 N +ATOM 1930 CA LEU A 260 23.614 -4.350 62.552 1.00 34.51 C +ATOM 1931 C LEU A 260 23.304 -4.635 64.012 1.00 37.26 C +ATOM 1932 O LEU A 260 22.151 -4.861 64.313 1.00 41.63 O +ATOM 1933 CB LEU A 260 22.494 -4.922 61.685 1.00 28.46 C +ATOM 1934 CG LEU A 260 22.746 -4.924 60.186 1.00 18.95 C +ATOM 1935 CD1 LEU A 260 21.415 -5.211 59.621 1.00 23.14 C +ATOM 1936 CD2 LEU A 260 23.334 -3.668 59.659 1.00 17.88 C +ATOM 1937 N SER A 261 24.301 -4.685 64.907 1.00 40.24 N +ATOM 1938 CA SER A 261 24.092 -5.000 66.357 1.00 40.13 C +ATOM 1939 C SER A 261 23.507 -3.858 67.243 1.00 35.76 C +ATOM 1940 O SER A 261 22.476 -4.032 67.922 1.00 31.77 O +ATOM 1941 CB SER A 261 25.379 -5.582 67.017 1.00 34.97 C +ATOM 1942 OG SER A 261 26.586 -5.006 66.529 1.00 40.66 O +ATOM 1943 N GLU A 262 24.211 -2.720 67.201 1.00 34.98 N +ATOM 1944 CA GLU A 262 23.807 -1.485 67.866 1.00 39.08 C +ATOM 1945 C GLU A 262 22.367 -1.231 67.427 1.00 36.33 C +ATOM 1946 O GLU A 262 21.560 -0.994 68.321 1.00 36.79 O +ATOM 1947 CB GLU A 262 24.660 -0.275 67.459 1.00 39.12 C +ATOM 1948 CG GLU A 262 26.076 -0.190 68.000 1.00 40.60 C +ATOM 1949 CD GLU A 262 27.015 -1.165 67.320 1.00 37.57 C +ATOM 1950 OE1 GLU A 262 26.635 -1.764 66.290 1.00 40.49 O +ATOM 1951 OE2 GLU A 262 28.126 -1.342 67.852 1.00 38.71 O +ATOM 1952 N LEU A 263 22.083 -1.301 66.112 1.00 33.18 N +ATOM 1953 CA LEU A 263 20.744 -1.146 65.558 1.00 31.68 C +ATOM 1954 C LEU A 263 19.818 -2.157 66.233 1.00 33.22 C +ATOM 1955 O LEU A 263 18.619 -1.890 66.498 1.00 32.89 O +ATOM 1956 CB LEU A 263 20.667 -1.421 64.054 1.00 30.02 C +ATOM 1957 CG LEU A 263 19.287 -1.207 63.421 1.00 31.45 C +ATOM 1958 CD1 LEU A 263 19.065 0.284 63.319 1.00 31.81 C +ATOM 1959 CD2 LEU A 263 19.131 -1.818 62.060 1.00 25.27 C +ATOM 1960 N LYS A 264 20.361 -3.335 66.523 1.00 32.10 N +ATOM 1961 CA LYS A 264 19.553 -4.377 67.180 1.00 32.26 C +ATOM 1962 C LYS A 264 19.072 -3.900 68.553 1.00 29.34 C +ATOM 1963 O LYS A 264 17.929 -4.139 68.931 1.00 28.03 O +ATOM 1964 CB LYS A 264 20.322 -5.706 67.312 1.00 34.50 C +ATOM 1965 CG LYS A 264 19.437 -6.865 67.798 1.00 38.98 C +ATOM 1966 CD LYS A 264 20.320 -8.081 68.177 1.00 45.21 C +ATOM 1967 CE LYS A 264 21.687 -7.641 68.772 1.00 45.23 C +ATOM 1968 NZ LYS A 264 21.672 -6.644 69.909 1.00 40.29 N +ATOM 1969 N THR A 265 19.973 -3.234 69.268 1.00 31.61 N +ATOM 1970 CA THR A 265 19.690 -2.691 70.577 1.00 30.09 C +ATOM 1971 C THR A 265 18.736 -1.513 70.505 1.00 30.05 C +ATOM 1972 O THR A 265 17.627 -1.611 71.051 1.00 32.30 O +ATOM 1973 CB THR A 265 21.001 -2.370 71.245 1.00 26.36 C +ATOM 1974 OG1 THR A 265 21.648 -3.624 71.442 1.00 34.61 O +ATOM 1975 CG2 THR A 265 20.820 -1.768 72.583 1.00 17.28 C +ATOM 1976 N VAL A 266 19.099 -0.455 69.779 1.00 28.98 N +ATOM 1977 CA VAL A 266 18.238 0.727 69.658 1.00 26.49 C +ATOM 1978 C VAL A 266 16.804 0.640 69.072 1.00 28.25 C +ATOM 1979 O VAL A 266 15.951 1.493 69.370 1.00 29.06 O +ATOM 1980 CB VAL A 266 19.012 1.861 69.039 1.00 22.00 C +ATOM 1981 CG1 VAL A 266 20.270 2.124 69.870 1.00 21.30 C +ATOM 1982 CG2 VAL A 266 19.360 1.542 67.583 1.00 20.98 C +ATOM 1983 N THR A 267 16.487 -0.415 68.328 1.00 24.41 N +ATOM 1984 CA THR A 267 15.159 -0.567 67.750 1.00 23.27 C +ATOM 1985 C THR A 267 14.361 -1.643 68.456 1.00 23.85 C +ATOM 1986 O THR A 267 13.284 -2.053 68.022 1.00 23.10 O +ATOM 1987 CB THR A 267 15.262 -0.953 66.254 1.00 23.23 C +ATOM 1988 OG1 THR A 267 15.875 -2.242 66.134 1.00 29.34 O +ATOM 1989 CG2 THR A 267 16.124 0.051 65.462 1.00 15.10 C +ATOM 1990 N GLY A 268 14.868 -2.083 69.601 1.00 28.51 N +ATOM 1991 CA GLY A 268 14.180 -3.168 70.286 1.00 28.47 C +ATOM 1992 C GLY A 268 12.921 -2.807 71.065 1.00 31.34 C +ATOM 1993 O GLY A 268 11.921 -3.514 71.086 1.00 32.25 O +ATOM 1994 N THR A 269 12.938 -1.648 71.700 1.00 35.45 N +ATOM 1995 CA THR A 269 11.797 -1.256 72.471 1.00 34.99 C +ATOM 1996 C THR A 269 10.733 -0.468 71.721 1.00 35.77 C +ATOM 1997 O THR A 269 9.584 -0.877 71.781 1.00 39.03 O +ATOM 1998 CB THR A 269 12.240 -0.537 73.737 1.00 31.41 C +ATOM 1999 OG1 THR A 269 11.142 0.267 74.182 1.00 51.65 O +ATOM 2000 CG2 THR A 269 13.420 0.388 73.483 1.00 35.91 C +ATOM 2001 N ASN A 270 11.077 0.630 71.044 1.00 35.35 N +ATOM 2002 CA ASN A 270 10.119 1.488 70.310 1.00 32.71 C +ATOM 2003 C ASN A 270 9.296 0.830 69.178 1.00 33.45 C +ATOM 2004 O ASN A 270 9.888 0.370 68.210 1.00 33.44 O +ATOM 2005 CB ASN A 270 10.846 2.748 69.801 1.00 24.76 C +ATOM 2006 CG ASN A 270 9.896 3.889 69.529 1.00 25.52 C +ATOM 2007 OD1 ASN A 270 8.861 3.735 68.848 1.00 28.96 O +ATOM 2008 ND2 ASN A 270 10.233 5.054 70.064 1.00 23.28 N +ATOM 2009 N PRO A 271 7.933 0.822 69.248 1.00 36.32 N +ATOM 2010 CA PRO A 271 7.170 0.163 68.178 1.00 34.33 C +ATOM 2011 C PRO A 271 7.310 0.663 66.758 1.00 27.85 C +ATOM 2012 O PRO A 271 7.174 -0.121 65.833 1.00 26.00 O +ATOM 2013 CB PRO A 271 5.724 0.160 68.713 1.00 38.14 C +ATOM 2014 CG PRO A 271 5.671 1.396 69.537 1.00 40.83 C +ATOM 2015 CD PRO A 271 6.977 1.264 70.290 1.00 38.13 C +ATOM 2016 N VAL A 272 7.653 1.933 66.616 1.00 27.08 N +ATOM 2017 CA VAL A 272 7.839 2.535 65.306 1.00 27.09 C +ATOM 2018 C VAL A 272 9.023 1.887 64.590 1.00 24.74 C +ATOM 2019 O VAL A 272 9.051 1.764 63.381 1.00 26.26 O +ATOM 2020 CB VAL A 272 8.102 4.072 65.493 1.00 29.37 C +ATOM 2021 CG1 VAL A 272 8.544 4.771 64.176 1.00 18.88 C +ATOM 2022 CG2 VAL A 272 6.863 4.703 66.095 1.00 27.79 C +ATOM 2023 N PHE A 273 9.977 1.420 65.373 1.00 23.13 N +ATOM 2024 CA PHE A 273 11.206 0.856 64.874 1.00 21.66 C +ATOM 2025 C PHE A 273 11.205 -0.635 64.603 1.00 20.56 C +ATOM 2026 O PHE A 273 12.217 -1.171 64.228 1.00 23.32 O +ATOM 2027 CB PHE A 273 12.292 1.163 65.912 1.00 20.76 C +ATOM 2028 CG PHE A 273 12.480 2.618 66.206 1.00 23.74 C +ATOM 2029 CD1 PHE A 273 11.802 3.598 65.458 1.00 27.37 C +ATOM 2030 CD2 PHE A 273 13.328 3.013 67.247 1.00 14.72 C +ATOM 2031 CE1 PHE A 273 11.945 4.961 65.725 1.00 20.04 C +ATOM 2032 CE2 PHE A 273 13.487 4.360 67.535 1.00 20.12 C +ATOM 2033 CZ PHE A 273 12.795 5.350 66.774 1.00 25.57 C +ATOM 2034 N ALA A 274 10.069 -1.281 64.796 1.00 27.62 N +ATOM 2035 CA ALA A 274 9.855 -2.706 64.677 1.00 24.89 C +ATOM 2036 C ALA A 274 9.992 -3.303 63.313 1.00 27.75 C +ATOM 2037 O ALA A 274 9.617 -2.741 62.309 1.00 27.91 O +ATOM 2038 CB ALA A 274 8.507 -3.038 65.185 1.00 28.05 C +ATOM 2039 N GLY A 275 10.241 -4.590 63.341 1.00 28.19 N +ATOM 2040 CA GLY A 275 10.519 -5.258 62.105 1.00 28.41 C +ATOM 2041 C GLY A 275 9.361 -5.150 61.202 1.00 27.04 C +ATOM 2042 O GLY A 275 9.611 -5.117 60.012 1.00 31.97 O +ATOM 2043 N ALA A 276 8.151 -5.126 61.752 1.00 29.17 N +ATOM 2044 CA ALA A 276 6.918 -5.013 60.950 1.00 29.91 C +ATOM 2045 C ALA A 276 6.825 -3.706 60.117 1.00 31.29 C +ATOM 2046 O ALA A 276 6.317 -3.666 58.970 1.00 30.26 O +ATOM 2047 CB ALA A 276 5.683 -5.168 61.860 1.00 22.95 C +ATOM 2048 N ASN A 277 7.350 -2.632 60.716 1.00 32.92 N +ATOM 2049 CA ASN A 277 7.361 -1.324 60.090 1.00 29.36 C +ATOM 2050 C ASN A 277 8.435 -1.213 59.025 1.00 28.39 C +ATOM 2051 O ASN A 277 8.230 -0.483 58.057 1.00 32.87 O +ATOM 2052 CB ASN A 277 7.397 -0.226 61.153 1.00 30.51 C +ATOM 2053 CG ASN A 277 6.134 -0.205 61.988 1.00 25.68 C +ATOM 2054 OD1 ASN A 277 5.047 -0.585 61.549 1.00 34.08 O +ATOM 2055 ND2 ASN A 277 6.283 0.204 63.229 1.00 40.53 N +ATOM 2056 N TYR A 278 9.552 -1.932 59.161 1.00 28.98 N +ATOM 2057 CA TYR A 278 10.573 -1.998 58.113 1.00 26.48 C +ATOM 2058 C TYR A 278 10.005 -2.790 56.914 1.00 27.93 C +ATOM 2059 O TYR A 278 10.328 -2.468 55.770 1.00 29.78 O +ATOM 2060 CB TYR A 278 11.781 -2.763 58.575 1.00 23.99 C +ATOM 2061 CG TYR A 278 12.775 -1.944 59.274 1.00 18.97 C +ATOM 2062 CD1 TYR A 278 12.632 -1.670 60.627 1.00 17.82 C +ATOM 2063 CD2 TYR A 278 13.850 -1.461 58.583 1.00 14.89 C +ATOM 2064 CE1 TYR A 278 13.535 -0.928 61.302 1.00 15.04 C +ATOM 2065 CE2 TYR A 278 14.775 -0.696 59.249 1.00 18.56 C +ATOM 2066 CZ TYR A 278 14.604 -0.438 60.613 1.00 16.77 C +ATOM 2067 OH TYR A 278 15.570 0.327 61.250 1.00 16.51 O +ATOM 2068 N ALA A 279 9.214 -3.835 57.183 1.00 29.55 N +ATOM 2069 CA ALA A 279 8.559 -4.664 56.157 1.00 29.83 C +ATOM 2070 C ALA A 279 7.406 -3.890 55.474 1.00 32.28 C +ATOM 2071 O ALA A 279 7.145 -4.064 54.286 1.00 34.01 O +ATOM 2072 CB ALA A 279 8.014 -5.938 56.777 1.00 23.28 C +ATOM 2073 N ALA A 280 6.663 -3.101 56.248 1.00 32.53 N +ATOM 2074 CA ALA A 280 5.573 -2.291 55.736 1.00 25.86 C +ATOM 2075 C ALA A 280 6.195 -1.247 54.816 1.00 30.25 C +ATOM 2076 O ALA A 280 5.630 -0.956 53.765 1.00 33.85 O +ATOM 2077 CB ALA A 280 4.891 -1.611 56.874 1.00 23.13 C +ATOM 2078 N TRP A 281 7.331 -0.673 55.216 1.00 30.74 N +ATOM 2079 CA TRP A 281 8.110 0.291 54.424 1.00 26.98 C +ATOM 2080 C TRP A 281 8.612 -0.348 53.124 1.00 30.90 C +ATOM 2081 O TRP A 281 8.335 0.216 52.072 1.00 28.72 O +ATOM 2082 CB TRP A 281 9.306 0.825 55.231 1.00 17.12 C +ATOM 2083 CG TRP A 281 10.216 1.683 54.444 1.00 16.04 C +ATOM 2084 CD1 TRP A 281 11.435 1.337 53.980 1.00 22.25 C +ATOM 2085 CD2 TRP A 281 9.933 3.000 53.906 1.00 22.94 C +ATOM 2086 NE1 TRP A 281 11.939 2.336 53.153 1.00 24.03 N +ATOM 2087 CE2 TRP A 281 11.036 3.367 53.091 1.00 21.37 C +ATOM 2088 CE3 TRP A 281 8.851 3.900 54.032 1.00 24.12 C +ATOM 2089 CZ2 TRP A 281 11.104 4.609 52.389 1.00 25.03 C +ATOM 2090 CZ3 TRP A 281 8.920 5.141 53.341 1.00 22.16 C +ATOM 2091 CH2 TRP A 281 10.043 5.481 52.525 1.00 19.76 C +ATOM 2092 N ALA A 282 9.302 -1.501 53.177 1.00 30.64 N +ATOM 2093 CA ALA A 282 9.858 -2.179 51.999 1.00 29.31 C +ATOM 2094 C ALA A 282 8.825 -2.596 50.994 1.00 29.50 C +ATOM 2095 O ALA A 282 9.093 -2.590 49.806 1.00 30.36 O +ATOM 2096 CB ALA A 282 10.656 -3.399 52.382 1.00 29.70 C +ATOM 2097 N VAL A 283 7.686 -3.046 51.495 1.00 29.27 N +ATOM 2098 CA VAL A 283 6.577 -3.420 50.641 1.00 30.70 C +ATOM 2099 C VAL A 283 6.099 -2.181 49.858 1.00 34.69 C +ATOM 2100 O VAL A 283 5.904 -2.293 48.647 1.00 36.84 O +ATOM 2101 CB VAL A 283 5.449 -4.068 51.496 1.00 27.60 C +ATOM 2102 CG1 VAL A 283 4.123 -4.064 50.767 1.00 30.56 C +ATOM 2103 CG2 VAL A 283 5.818 -5.530 51.789 1.00 27.88 C +ATOM 2104 N ASN A 284 6.016 -1.007 50.509 1.00 36.40 N +ATOM 2105 CA ASN A 284 5.556 0.277 49.935 1.00 35.69 C +ATOM 2106 C ASN A 284 6.471 0.810 48.848 1.00 33.75 C +ATOM 2107 O ASN A 284 6.022 1.436 47.883 1.00 37.48 O +ATOM 2108 CB ASN A 284 5.309 1.378 50.998 1.00 40.56 C +ATOM 2109 CG ASN A 284 4.222 2.422 50.574 1.00 53.54 C +ATOM 2110 OD1 ASN A 284 3.840 3.271 51.385 1.00 63.49 O +ATOM 2111 ND2 ASN A 284 3.732 2.378 49.317 1.00 52.46 N +ATOM 2112 N VAL A 285 7.759 0.608 49.042 1.00 32.97 N +ATOM 2113 CA VAL A 285 8.753 0.967 48.058 1.00 33.90 C +ATOM 2114 C VAL A 285 8.642 0.051 46.794 1.00 36.48 C +ATOM 2115 O VAL A 285 8.420 0.546 45.674 1.00 33.85 O +ATOM 2116 CB VAL A 285 10.157 0.913 48.734 1.00 34.27 C +ATOM 2117 CG1 VAL A 285 11.262 0.828 47.700 1.00 24.66 C +ATOM 2118 CG2 VAL A 285 10.348 2.117 49.662 1.00 20.12 C +ATOM 2119 N ALA A 286 8.780 -1.266 46.968 1.00 37.83 N +ATOM 2120 CA ALA A 286 8.748 -2.244 45.873 1.00 38.80 C +ATOM 2121 C ALA A 286 7.498 -2.028 45.030 1.00 41.67 C +ATOM 2122 O ALA A 286 7.482 -2.283 43.826 1.00 42.09 O +ATOM 2123 CB ALA A 286 8.731 -3.642 46.425 1.00 30.08 C +ATOM 2124 N GLN A 287 6.424 -1.605 45.681 1.00 40.29 N +ATOM 2125 CA GLN A 287 5.201 -1.330 44.949 1.00 39.67 C +ATOM 2126 C GLN A 287 5.068 0.018 44.264 1.00 40.52 C +ATOM 2127 O GLN A 287 3.979 0.281 43.761 1.00 44.01 O +ATOM 2128 CB GLN A 287 3.999 -1.316 45.865 1.00 37.52 C +ATOM 2129 CG GLN A 287 3.938 -2.475 46.749 1.00 42.02 C +ATOM 2130 CD GLN A 287 2.644 -2.416 47.519 1.00 55.25 C +ATOM 2131 OE1 GLN A 287 2.241 -1.363 48.086 1.00 46.02 O +ATOM 2132 NE2 GLN A 287 1.942 -3.553 47.498 1.00 51.08 N +ATOM 2133 N VAL A 288 6.028 0.932 44.348 1.00 35.54 N +ATOM 2134 CA VAL A 288 5.791 2.206 43.702 1.00 30.97 C +ATOM 2135 C VAL A 288 6.938 2.383 42.745 1.00 30.80 C +ATOM 2136 O VAL A 288 7.009 3.336 41.984 1.00 31.57 O +ATOM 2137 CB VAL A 288 5.638 3.423 44.712 1.00 25.67 C +ATOM 2138 CG1 VAL A 288 4.309 3.331 45.453 1.00 27.69 C +ATOM 2139 CG2 VAL A 288 6.860 3.570 45.637 1.00 17.49 C +ATOM 2140 N ILE A 289 7.834 1.415 42.713 1.00 33.04 N +ATOM 2141 CA ILE A 289 8.973 1.576 41.810 1.00 36.48 C +ATOM 2142 C ILE A 289 8.912 0.678 40.561 1.00 38.51 C +ATOM 2143 O ILE A 289 8.774 -0.548 40.635 1.00 39.58 O +ATOM 2144 CB ILE A 289 10.298 1.379 42.565 1.00 36.19 C +ATOM 2145 CG1 ILE A 289 10.375 2.356 43.755 1.00 37.82 C +ATOM 2146 CG2 ILE A 289 11.468 1.533 41.596 1.00 43.70 C +ATOM 2147 CD1 ILE A 289 10.572 3.851 43.394 1.00 28.22 C +ATOM 2148 N ASP A 290 8.883 1.332 39.408 1.00 37.77 N +ATOM 2149 CA ASP A 290 8.882 0.629 38.156 1.00 37.40 C +ATOM 2150 C ASP A 290 10.240 0.919 37.560 1.00 39.24 C +ATOM 2151 O ASP A 290 11.049 1.660 38.136 1.00 37.15 O +ATOM 2152 CB ASP A 290 7.747 1.040 37.235 1.00 40.59 C +ATOM 2153 CG ASP A 290 7.673 2.524 36.992 1.00 40.51 C +ATOM 2154 OD1 ASP A 290 8.716 3.219 37.023 1.00 50.41 O +ATOM 2155 OD2 ASP A 290 6.530 2.996 36.783 1.00 50.46 O +ATOM 2156 N SER A 291 10.484 0.319 36.400 1.00 39.92 N +ATOM 2157 CA SER A 291 11.787 0.441 35.792 1.00 36.95 C +ATOM 2158 C SER A 291 12.158 1.852 35.424 1.00 34.95 C +ATOM 2159 O SER A 291 13.307 2.240 35.615 1.00 38.12 O +ATOM 2160 CB SER A 291 11.924 -0.502 34.587 1.00 41.72 C +ATOM 2161 OG SER A 291 10.688 -0.605 33.910 1.00 57.81 O +ATOM 2162 N GLU A 292 11.238 2.627 34.869 1.00 34.08 N +ATOM 2163 CA GLU A 292 11.624 3.991 34.516 1.00 36.27 C +ATOM 2164 C GLU A 292 12.010 4.865 35.729 1.00 35.09 C +ATOM 2165 O GLU A 292 12.896 5.714 35.641 1.00 38.58 O +ATOM 2166 CB GLU A 292 10.493 4.676 33.761 1.00 43.64 C +ATOM 2167 CG GLU A 292 10.750 6.184 33.665 1.00 56.17 C +ATOM 2168 CD GLU A 292 9.710 6.927 32.858 1.00 61.52 C +ATOM 2169 OE1 GLU A 292 8.507 6.779 33.228 1.00 67.21 O +ATOM 2170 OE2 GLU A 292 10.132 7.615 31.877 1.00 66.07 O +ATOM 2171 N THR A 293 11.255 4.709 36.811 1.00 35.48 N +ATOM 2172 CA THR A 293 11.474 5.405 38.071 1.00 35.63 C +ATOM 2173 C THR A 293 12.792 4.967 38.661 1.00 35.37 C +ATOM 2174 O THR A 293 13.626 5.808 38.998 1.00 34.74 O +ATOM 2175 CB THR A 293 10.370 5.020 38.996 1.00 26.56 C +ATOM 2176 OG1 THR A 293 9.175 5.458 38.361 1.00 29.04 O +ATOM 2177 CG2 THR A 293 10.550 5.643 40.364 1.00 28.75 C +ATOM 2178 N ALA A 294 12.957 3.645 38.744 1.00 37.27 N +ATOM 2179 CA ALA A 294 14.159 3.004 39.260 1.00 34.62 C +ATOM 2180 C ALA A 294 15.385 3.548 38.561 1.00 36.26 C +ATOM 2181 O ALA A 294 16.438 3.689 39.188 1.00 35.48 O +ATOM 2182 CB ALA A 294 14.079 1.498 39.097 1.00 22.41 C +ATOM 2183 N ASP A 295 15.229 3.927 37.291 1.00 40.73 N +ATOM 2184 CA ASP A 295 16.329 4.466 36.443 1.00 46.48 C +ATOM 2185 C ASP A 295 16.731 5.959 36.581 1.00 46.53 C +ATOM 2186 O ASP A 295 17.813 6.379 36.122 1.00 47.38 O +ATOM 2187 CB ASP A 295 16.069 4.208 34.934 1.00 51.35 C +ATOM 2188 CG ASP A 295 16.381 2.771 34.497 1.00 57.99 C +ATOM 2189 OD1 ASP A 295 17.184 2.084 35.183 1.00 50.98 O +ATOM 2190 OD2 ASP A 295 15.806 2.337 33.463 1.00 62.42 O +ATOM 2191 N ASN A 296 15.852 6.725 37.237 1.00 45.18 N +ATOM 2192 CA ASN A 296 15.988 8.155 37.472 1.00 37.10 C +ATOM 2193 C ASN A 296 15.906 8.517 38.963 1.00 32.83 C +ATOM 2194 O ASN A 296 14.918 8.270 39.646 1.00 31.30 O +ATOM 2195 CB ASN A 296 14.914 8.889 36.652 1.00 37.78 C +ATOM 2196 CG ASN A 296 15.062 10.392 36.724 1.00 34.79 C +ATOM 2197 OD1 ASN A 296 14.296 11.024 37.430 1.00 47.26 O +ATOM 2198 ND2 ASN A 296 16.047 10.982 36.022 1.00 39.70 N +ATOM 2199 N LEU A 297 16.977 9.109 39.457 1.00 29.82 N +ATOM 2200 CA LEU A 297 17.015 9.515 40.851 1.00 30.63 C +ATOM 2201 C LEU A 297 15.884 10.465 41.158 1.00 25.60 C +ATOM 2202 O LEU A 297 15.187 10.274 42.147 1.00 26.78 O +ATOM 2203 CB LEU A 297 18.307 10.250 41.190 1.00 33.00 C +ATOM 2204 CG LEU A 297 19.041 9.922 42.489 1.00 32.41 C +ATOM 2205 CD1 LEU A 297 19.721 11.202 42.884 1.00 25.40 C +ATOM 2206 CD2 LEU A 297 18.158 9.325 43.571 1.00 26.53 C +ATOM 2207 N GLU A 298 15.746 11.508 40.350 1.00 23.45 N +ATOM 2208 CA GLU A 298 14.680 12.474 40.588 1.00 25.61 C +ATOM 2209 C GLU A 298 13.296 11.858 40.783 1.00 23.63 C +ATOM 2210 O GLU A 298 12.578 12.153 41.751 1.00 22.80 O +ATOM 2211 CB GLU A 298 14.664 13.547 39.491 1.00 21.86 C +ATOM 2212 CG GLU A 298 13.611 14.639 39.668 1.00 21.05 C +ATOM 2213 CD GLU A 298 14.034 15.677 40.714 1.00 23.46 C +ATOM 2214 OE1 GLU A 298 15.198 15.689 41.168 1.00 29.51 O +ATOM 2215 OE2 GLU A 298 13.209 16.521 41.103 1.00 28.57 O +ATOM 2216 N LYS A 299 12.948 10.941 39.891 1.00 23.63 N +ATOM 2217 CA LYS A 299 11.654 10.306 39.928 1.00 24.20 C +ATOM 2218 C LYS A 299 11.596 9.283 41.059 1.00 22.18 C +ATOM 2219 O LYS A 299 10.526 8.976 41.536 1.00 23.78 O +ATOM 2220 CB LYS A 299 11.387 9.597 38.617 1.00 29.45 C +ATOM 2221 CG LYS A 299 11.183 10.436 37.415 1.00 23.75 C +ATOM 2222 CD LYS A 299 11.099 9.416 36.265 1.00 31.03 C +ATOM 2223 CE LYS A 299 9.788 9.532 35.470 1.00 50.35 C +ATOM 2224 NZ LYS A 299 8.478 8.995 36.026 1.00 48.76 N +ATOM 2225 N THR A 300 12.716 8.651 41.375 1.00 23.54 N +ATOM 2226 CA THR A 300 12.798 7.737 42.496 1.00 23.70 C +ATOM 2227 C THR A 300 12.514 8.576 43.766 1.00 22.30 C +ATOM 2228 O THR A 300 11.738 8.166 44.605 1.00 24.67 O +ATOM 2229 CB THR A 300 14.231 7.108 42.535 1.00 23.64 C +ATOM 2230 OG1 THR A 300 14.279 5.982 41.655 1.00 20.86 O +ATOM 2231 CG2 THR A 300 14.574 6.573 43.903 1.00 28.74 C +ATOM 2232 N THR A 301 13.121 9.760 43.903 1.00 26.07 N +ATOM 2233 CA THR A 301 12.975 10.638 45.072 1.00 23.25 C +ATOM 2234 C THR A 301 11.571 11.184 45.097 1.00 23.81 C +ATOM 2235 O THR A 301 10.962 11.214 46.162 1.00 24.50 O +ATOM 2236 CB THR A 301 14.018 11.790 45.113 1.00 20.84 C +ATOM 2237 OG1 THR A 301 15.342 11.246 45.146 1.00 22.49 O +ATOM 2238 CG2 THR A 301 13.828 12.665 46.346 1.00 22.49 C +ATOM 2239 N ALA A 302 11.015 11.499 43.923 1.00 25.36 N +ATOM 2240 CA ALA A 302 9.648 11.996 43.857 1.00 20.27 C +ATOM 2241 C ALA A 302 8.667 10.931 44.370 1.00 22.82 C +ATOM 2242 O ALA A 302 7.740 11.238 45.111 1.00 23.86 O +ATOM 2243 CB ALA A 302 9.315 12.471 42.444 1.00 21.21 C +ATOM 2244 N ALA A 303 8.859 9.657 44.048 1.00 21.65 N +ATOM 2245 CA ALA A 303 7.942 8.618 44.520 1.00 22.19 C +ATOM 2246 C ALA A 303 8.101 8.202 46.010 1.00 22.74 C +ATOM 2247 O ALA A 303 7.130 7.869 46.709 1.00 22.09 O +ATOM 2248 CB ALA A 303 8.116 7.384 43.619 1.00 16.00 C +ATOM 2249 N LEU A 304 9.349 8.156 46.470 1.00 23.57 N +ATOM 2250 CA LEU A 304 9.675 7.728 47.829 1.00 22.71 C +ATOM 2251 C LEU A 304 9.184 8.766 48.841 1.00 22.28 C +ATOM 2252 O LEU A 304 8.723 8.404 49.950 1.00 20.06 O +ATOM 2253 CB LEU A 304 11.187 7.473 47.967 1.00 18.82 C +ATOM 2254 CG LEU A 304 11.831 6.243 47.280 1.00 23.32 C +ATOM 2255 CD1 LEU A 304 13.295 6.062 47.726 1.00 18.32 C +ATOM 2256 CD2 LEU A 304 11.023 4.984 47.544 1.00 16.66 C +ATOM 2257 N SER A 305 9.216 10.026 48.392 1.00 20.23 N +ATOM 2258 CA SER A 305 8.824 11.192 49.207 1.00 16.24 C +ATOM 2259 C SER A 305 7.336 11.311 49.627 1.00 16.57 C +ATOM 2260 O SER A 305 6.948 12.055 50.535 1.00 16.57 O +ATOM 2261 CB SER A 305 9.333 12.462 48.496 1.00 18.72 C +ATOM 2262 OG SER A 305 8.446 12.883 47.448 1.00 20.44 O +ATOM 2263 N ILE A 306 6.480 10.528 48.991 1.00 15.40 N +ATOM 2264 CA ILE A 306 5.073 10.599 49.294 1.00 13.51 C +ATOM 2265 C ILE A 306 4.572 9.354 50.012 1.00 13.94 C +ATOM 2266 O ILE A 306 3.367 9.149 50.171 1.00 18.11 O +ATOM 2267 CB ILE A 306 4.253 10.905 48.019 1.00 15.97 C +ATOM 2268 CG1 ILE A 306 4.401 9.783 47.000 1.00 20.76 C +ATOM 2269 CG2 ILE A 306 4.648 12.275 47.465 1.00 16.25 C +ATOM 2270 CD1 ILE A 306 3.538 9.969 45.813 1.00 17.17 C +ATOM 2271 N LEU A 307 5.497 8.501 50.425 1.00 15.44 N +ATOM 2272 CA LEU A 307 5.068 7.316 51.129 1.00 16.61 C +ATOM 2273 C LEU A 307 5.137 7.591 52.606 1.00 16.02 C +ATOM 2274 O LEU A 307 5.963 8.420 53.008 1.00 17.51 O +ATOM 2275 CB LEU A 307 6.031 6.174 50.896 1.00 19.24 C +ATOM 2276 CG LEU A 307 6.215 5.762 49.444 1.00 21.97 C +ATOM 2277 CD1 LEU A 307 7.161 4.608 49.402 1.00 19.05 C +ATOM 2278 CD2 LEU A 307 4.894 5.334 48.920 1.00 20.33 C +ATOM 2279 N PRO A 308 4.251 6.944 53.404 1.00 21.52 N +ATOM 2280 CA PRO A 308 4.225 7.090 54.883 1.00 21.46 C +ATOM 2281 C PRO A 308 5.212 6.077 55.535 1.00 20.43 C +ATOM 2282 O PRO A 308 5.701 5.132 54.900 1.00 21.18 O +ATOM 2283 CB PRO A 308 2.782 6.759 55.227 1.00 17.55 C +ATOM 2284 CG PRO A 308 2.479 5.590 54.234 1.00 20.94 C +ATOM 2285 CD PRO A 308 3.137 6.078 52.923 1.00 14.86 C +ATOM 2286 N GLY A 309 5.669 6.299 56.757 1.00 22.64 N +ATOM 2287 CA GLY A 309 6.479 5.258 57.394 1.00 17.16 C +ATOM 2288 C GLY A 309 7.975 5.348 57.383 1.00 18.55 C +ATOM 2289 O GLY A 309 8.602 4.437 57.909 1.00 18.61 O +ATOM 2290 N ILE A 310 8.509 6.445 56.833 1.00 17.19 N +ATOM 2291 CA ILE A 310 9.929 6.618 56.702 1.00 18.99 C +ATOM 2292 C ILE A 310 10.552 6.839 58.073 1.00 18.06 C +ATOM 2293 O ILE A 310 11.732 6.591 58.283 1.00 23.35 O +ATOM 2294 CB ILE A 310 10.237 7.768 55.708 1.00 19.80 C +ATOM 2295 CG1 ILE A 310 11.672 7.582 55.161 1.00 14.76 C +ATOM 2296 CG2 ILE A 310 9.981 9.132 56.401 1.00 18.89 C +ATOM 2297 CD1 ILE A 310 12.058 8.507 54.028 1.00 14.08 C +ATOM 2298 N GLY A 311 9.751 7.318 59.007 1.00 21.46 N +ATOM 2299 CA GLY A 311 10.238 7.496 60.358 1.00 22.09 C +ATOM 2300 C GLY A 311 10.732 6.187 60.969 1.00 21.06 C +ATOM 2301 O GLY A 311 11.533 6.260 61.837 1.00 21.06 O +ATOM 2302 N SER A 312 10.256 5.009 60.564 1.00 26.45 N +ATOM 2303 CA SER A 312 10.691 3.711 61.093 1.00 24.35 C +ATOM 2304 C SER A 312 12.142 3.419 60.787 1.00 23.76 C +ATOM 2305 O SER A 312 12.906 3.052 61.678 1.00 25.97 O +ATOM 2306 CB SER A 312 9.833 2.581 60.538 1.00 28.35 C +ATOM 2307 OG SER A 312 8.513 2.709 61.029 1.00 27.78 O +ATOM 2308 N VAL A 313 12.526 3.779 59.573 1.00 22.33 N +ATOM 2309 CA VAL A 313 13.874 3.568 59.125 1.00 21.65 C +ATOM 2310 C VAL A 313 14.772 4.697 59.549 1.00 19.21 C +ATOM 2311 O VAL A 313 15.958 4.497 59.730 1.00 21.62 O +ATOM 2312 CB VAL A 313 13.965 3.227 57.584 1.00 26.05 C +ATOM 2313 CG1 VAL A 313 12.595 2.775 57.051 1.00 27.02 C +ATOM 2314 CG2 VAL A 313 14.575 4.325 56.770 1.00 22.09 C +ATOM 2315 N MET A 314 14.211 5.865 59.810 1.00 21.81 N +ATOM 2316 CA MET A 314 14.983 7.016 60.226 1.00 18.67 C +ATOM 2317 C MET A 314 15.299 7.036 61.709 1.00 18.31 C +ATOM 2318 O MET A 314 16.285 7.655 62.104 1.00 20.25 O +ATOM 2319 CB MET A 314 14.264 8.319 59.853 1.00 18.47 C +ATOM 2320 CG MET A 314 14.442 8.733 58.390 1.00 14.98 C +ATOM 2321 SD MET A 314 13.828 10.389 57.984 1.00 20.22 S +ATOM 2322 CE MET A 314 13.637 10.409 56.228 1.00 20.45 C +ATOM 2323 N GLY A 315 14.490 6.324 62.485 1.00 19.62 N +ATOM 2324 CA GLY A 315 14.618 6.311 63.936 1.00 21.65 C +ATOM 2325 C GLY A 315 14.091 7.627 64.512 1.00 24.65 C +ATOM 2326 O GLY A 315 14.637 8.152 65.476 1.00 22.39 O +ATOM 2327 N ILE A 316 13.016 8.144 63.912 1.00 24.25 N +ATOM 2328 CA ILE A 316 12.374 9.403 64.274 1.00 22.54 C +ATOM 2329 C ILE A 316 10.986 9.141 64.810 1.00 20.43 C +ATOM 2330 O ILE A 316 10.113 8.683 64.105 1.00 21.43 O +ATOM 2331 CB ILE A 316 12.298 10.421 63.099 1.00 25.25 C +ATOM 2332 CG1 ILE A 316 13.726 10.663 62.579 1.00 16.83 C +ATOM 2333 CG2 ILE A 316 11.515 11.689 63.549 1.00 24.29 C +ATOM 2334 CD1 ILE A 316 13.997 11.872 61.691 1.00 18.66 C +ATOM 2335 N ALA A 317 10.813 9.415 66.092 1.00 19.53 N +ATOM 2336 CA ALA A 317 9.537 9.222 66.708 1.00 21.24 C +ATOM 2337 C ALA A 317 9.449 10.159 67.893 1.00 19.00 C +ATOM 2338 O ALA A 317 10.451 10.597 68.441 1.00 22.33 O +ATOM 2339 CB ALA A 317 9.368 7.791 67.137 1.00 23.45 C +ATOM 2340 N ASP A 318 8.225 10.584 68.152 1.00 21.45 N +ATOM 2341 CA ASP A 318 7.904 11.448 69.274 1.00 21.46 C +ATOM 2342 C ASP A 318 8.684 12.764 69.354 1.00 22.82 C +ATOM 2343 O ASP A 318 9.025 13.194 70.461 1.00 21.20 O +ATOM 2344 CB ASP A 318 8.068 10.694 70.617 1.00 30.26 C +ATOM 2345 CG ASP A 318 7.327 9.337 70.689 1.00 30.85 C +ATOM 2346 OD1 ASP A 318 6.085 9.327 70.550 1.00 27.56 O +ATOM 2347 OD2 ASP A 318 8.007 8.298 70.960 1.00 29.18 O +ATOM 2348 N GLY A 319 8.979 13.420 68.233 1.00 20.33 N +ATOM 2349 CA GLY A 319 9.701 14.686 68.324 1.00 16.62 C +ATOM 2350 C GLY A 319 11.209 14.541 68.367 1.00 18.79 C +ATOM 2351 O GLY A 319 11.909 15.551 68.367 1.00 18.74 O +ATOM 2352 N ALA A 320 11.710 13.307 68.286 1.00 20.49 N +ATOM 2353 CA ALA A 320 13.132 13.099 68.401 1.00 20.64 C +ATOM 2354 C ALA A 320 13.688 12.240 67.309 1.00 15.30 C +ATOM 2355 O ALA A 320 12.985 11.428 66.753 1.00 16.63 O +ATOM 2356 CB ALA A 320 13.495 12.491 69.796 1.00 21.50 C +ATOM 2357 N VAL A 321 14.925 12.561 66.956 1.00 19.24 N +ATOM 2358 CA VAL A 321 15.696 11.820 65.968 1.00 18.99 C +ATOM 2359 C VAL A 321 16.609 10.856 66.722 1.00 19.49 C +ATOM 2360 O VAL A 321 17.693 11.253 67.138 1.00 20.99 O +ATOM 2361 CB VAL A 321 16.528 12.737 65.093 1.00 20.41 C +ATOM 2362 CG1 VAL A 321 17.428 11.879 64.184 1.00 18.41 C +ATOM 2363 CG2 VAL A 321 15.593 13.714 64.323 1.00 13.30 C +ATOM 2364 N HIS A 322 16.163 9.606 66.887 1.00 18.39 N +ATOM 2365 CA HIS A 322 16.898 8.607 67.637 1.00 22.83 C +ATOM 2366 C HIS A 322 18.135 8.087 66.906 1.00 22.83 C +ATOM 2367 O HIS A 322 19.150 7.897 67.560 1.00 23.53 O +ATOM 2368 CB HIS A 322 16.000 7.460 68.080 1.00 20.41 C +ATOM 2369 CG HIS A 322 14.797 7.890 68.849 1.00 24.10 C +ATOM 2370 ND1 HIS A 322 14.689 7.713 70.211 1.00 26.79 N +ATOM 2371 CD2 HIS A 322 13.640 8.474 68.449 1.00 25.25 C +ATOM 2372 CE1 HIS A 322 13.515 8.175 70.613 1.00 29.72 C +ATOM 2373 NE2 HIS A 322 12.858 8.646 69.566 1.00 22.95 N +ATOM 2374 N HIS A 323 18.053 7.808 65.608 1.00 21.44 N +ATOM 2375 CA HIS A 323 19.232 7.357 64.864 1.00 24.07 C +ATOM 2376 C HIS A 323 20.057 8.567 64.490 1.00 22.82 C +ATOM 2377 O HIS A 323 19.838 9.231 63.486 1.00 21.17 O +ATOM 2378 CB HIS A 323 18.814 6.630 63.604 1.00 22.01 C +ATOM 2379 CG HIS A 323 17.926 5.473 63.889 1.00 22.30 C +ATOM 2380 ND1 HIS A 323 17.854 4.889 65.135 1.00 19.70 N +ATOM 2381 CD2 HIS A 323 17.094 4.772 63.087 1.00 31.24 C +ATOM 2382 CE1 HIS A 323 17.002 3.879 65.085 1.00 24.29 C +ATOM 2383 NE2 HIS A 323 16.530 3.784 63.854 1.00 19.88 N +ATOM 2384 N ASN A 324 20.978 8.868 65.378 1.00 19.55 N +ATOM 2385 CA ASN A 324 21.783 10.023 65.194 1.00 22.70 C +ATOM 2386 C ASN A 324 23.291 9.816 65.295 1.00 23.27 C +ATOM 2387 O ASN A 324 24.017 10.742 65.703 1.00 22.65 O +ATOM 2388 CB ASN A 324 21.275 11.158 66.093 1.00 26.91 C +ATOM 2389 CG ASN A 324 21.413 10.850 67.561 1.00 34.10 C +ATOM 2390 OD1 ASN A 324 21.880 9.774 67.995 1.00 33.44 O +ATOM 2391 ND2 ASN A 324 20.982 11.809 68.352 1.00 44.10 N +ATOM 2392 N THR A 325 23.768 8.638 64.875 1.00 25.30 N +ATOM 2393 CA THR A 325 25.221 8.365 64.804 1.00 24.44 C +ATOM 2394 C THR A 325 25.343 7.786 63.413 1.00 23.67 C +ATOM 2395 O THR A 325 24.402 7.107 62.956 1.00 22.76 O +ATOM 2396 CB THR A 325 25.769 7.329 65.833 1.00 22.37 C +ATOM 2397 OG1 THR A 325 25.034 6.104 65.731 1.00 19.13 O +ATOM 2398 CG2 THR A 325 25.708 7.930 67.263 1.00 20.65 C +ATOM 2399 N GLU A 326 26.464 8.091 62.756 1.00 24.89 N +ATOM 2400 CA GLU A 326 26.710 7.619 61.392 1.00 23.71 C +ATOM 2401 C GLU A 326 26.609 6.102 61.344 1.00 22.07 C +ATOM 2402 O GLU A 326 26.025 5.548 60.433 1.00 22.77 O +ATOM 2403 CB GLU A 326 28.076 8.062 60.879 1.00 21.40 C +ATOM 2404 CG GLU A 326 28.247 9.518 60.636 1.00 17.51 C +ATOM 2405 CD GLU A 326 28.516 10.313 61.884 1.00 25.61 C +ATOM 2406 OE1 GLU A 326 28.319 9.843 63.034 1.00 27.03 O +ATOM 2407 OE2 GLU A 326 28.906 11.481 61.687 1.00 30.65 O +ATOM 2408 N GLU A 327 27.139 5.437 62.357 1.00 20.89 N +ATOM 2409 CA GLU A 327 27.058 3.994 62.432 1.00 20.74 C +ATOM 2410 C GLU A 327 25.661 3.368 62.424 1.00 22.70 C +ATOM 2411 O GLU A 327 25.398 2.412 61.680 1.00 21.31 O +ATOM 2412 CB GLU A 327 27.803 3.539 63.689 1.00 24.63 C +ATOM 2413 CG GLU A 327 27.607 2.051 63.935 1.00 32.42 C +ATOM 2414 CD GLU A 327 28.234 1.210 62.814 1.00 40.12 C +ATOM 2415 OE1 GLU A 327 29.292 1.624 62.278 1.00 31.72 O +ATOM 2416 OE2 GLU A 327 27.677 0.145 62.471 1.00 38.74 O +ATOM 2417 N ILE A 328 24.758 3.879 63.270 1.00 23.36 N +ATOM 2418 CA ILE A 328 23.390 3.373 63.390 1.00 18.94 C +ATOM 2419 C ILE A 328 22.515 3.767 62.183 1.00 19.53 C +ATOM 2420 O ILE A 328 21.642 3.010 61.783 1.00 17.76 O +ATOM 2421 CB ILE A 328 22.737 3.847 64.738 1.00 28.31 C +ATOM 2422 CG1 ILE A 328 23.518 3.299 65.969 1.00 34.40 C +ATOM 2423 CG2 ILE A 328 21.242 3.519 64.710 1.00 27.64 C +ATOM 2424 CD1 ILE A 328 22.988 3.675 67.417 1.00 27.86 C +ATOM 2425 N VAL A 329 22.650 4.993 61.681 1.00 20.86 N +ATOM 2426 CA VAL A 329 21.915 5.404 60.465 1.00 22.93 C +ATOM 2427 C VAL A 329 22.386 4.484 59.295 1.00 22.22 C +ATOM 2428 O VAL A 329 21.562 4.054 58.496 1.00 24.36 O +ATOM 2429 CB VAL A 329 22.205 6.892 60.037 1.00 19.82 C +ATOM 2430 CG1 VAL A 329 21.563 7.148 58.661 1.00 17.31 C +ATOM 2431 CG2 VAL A 329 21.768 7.900 61.075 1.00 21.36 C +ATOM 2432 N ALA A 330 23.696 4.220 59.145 1.00 23.06 N +ATOM 2433 CA ALA A 330 24.192 3.322 58.100 1.00 19.52 C +ATOM 2434 C ALA A 330 23.600 1.941 58.316 1.00 20.28 C +ATOM 2435 O ALA A 330 23.122 1.373 57.345 1.00 22.56 O +ATOM 2436 CB ALA A 330 25.723 3.332 58.034 1.00 17.77 C +ATOM 2437 N GLN A 331 23.546 1.391 59.538 1.00 19.98 N +ATOM 2438 CA GLN A 331 22.894 0.089 59.711 1.00 18.87 C +ATOM 2439 C GLN A 331 21.426 0.052 59.268 1.00 25.35 C +ATOM 2440 O GLN A 331 20.964 -0.882 58.577 1.00 25.26 O +ATOM 2441 CB GLN A 331 22.941 -0.406 61.145 1.00 18.77 C +ATOM 2442 CG GLN A 331 24.343 -0.774 61.556 1.00 22.32 C +ATOM 2443 CD GLN A 331 24.521 -1.001 63.055 1.00 25.05 C +ATOM 2444 OE1 GLN A 331 25.528 -0.621 63.636 1.00 31.11 O +ATOM 2445 NE2 GLN A 331 23.568 -1.649 63.680 1.00 28.11 N +ATOM 2446 N SER A 332 20.658 1.061 59.689 1.00 24.69 N +ATOM 2447 CA SER A 332 19.252 1.149 59.346 1.00 22.46 C +ATOM 2448 C SER A 332 19.012 1.283 57.846 1.00 21.28 C +ATOM 2449 O SER A 332 18.044 0.689 57.392 1.00 22.80 O +ATOM 2450 CB SER A 332 18.558 2.286 60.097 1.00 20.77 C +ATOM 2451 OG SER A 332 17.183 2.166 59.825 1.00 16.99 O +ATOM 2452 N ILE A 333 19.823 2.069 57.132 1.00 18.79 N +ATOM 2453 CA ILE A 333 19.691 2.243 55.676 1.00 26.68 C +ATOM 2454 C ILE A 333 20.093 0.928 54.921 1.00 28.52 C +ATOM 2455 O ILE A 333 19.350 0.457 54.025 1.00 29.45 O +ATOM 2456 CB ILE A 333 20.496 3.471 55.133 1.00 21.66 C +ATOM 2457 CG1 ILE A 333 19.871 4.776 55.634 1.00 17.60 C +ATOM 2458 CG2 ILE A 333 20.440 3.521 53.569 1.00 25.06 C +ATOM 2459 CD1 ILE A 333 20.727 5.926 55.264 1.00 10.51 C +ATOM 2460 N ALA A 334 21.215 0.321 55.335 1.00 28.49 N +ATOM 2461 CA ALA A 334 21.678 -0.967 54.804 1.00 29.72 C +ATOM 2462 C ALA A 334 20.590 -2.025 55.030 1.00 31.35 C +ATOM 2463 O ALA A 334 20.289 -2.744 54.066 1.00 33.76 O +ATOM 2464 CB ALA A 334 23.006 -1.399 55.419 1.00 23.58 C +ATOM 2465 N LEU A 335 19.959 -2.089 56.214 1.00 28.97 N +ATOM 2466 CA LEU A 335 18.896 -3.079 56.472 1.00 27.55 C +ATOM 2467 C LEU A 335 17.683 -2.818 55.580 1.00 28.41 C +ATOM 2468 O LEU A 335 17.014 -3.732 55.099 1.00 27.00 O +ATOM 2469 CB LEU A 335 18.491 -3.114 57.963 1.00 23.98 C +ATOM 2470 CG LEU A 335 17.224 -3.843 58.447 1.00 23.10 C +ATOM 2471 CD1 LEU A 335 17.202 -5.353 58.093 1.00 27.18 C +ATOM 2472 CD2 LEU A 335 17.056 -3.693 59.948 1.00 24.52 C +ATOM 2473 N SER A 336 17.363 -1.543 55.395 1.00 29.31 N +ATOM 2474 CA SER A 336 16.238 -1.140 54.566 1.00 26.11 C +ATOM 2475 C SER A 336 16.493 -1.508 53.102 1.00 28.07 C +ATOM 2476 O SER A 336 15.577 -1.999 52.425 1.00 32.02 O +ATOM 2477 CB SER A 336 15.983 0.360 54.683 1.00 27.12 C +ATOM 2478 OG SER A 336 14.597 0.482 54.432 1.00 33.31 O +ATOM 2479 N SER A 337 17.677 -1.164 52.598 1.00 25.63 N +ATOM 2480 CA SER A 337 18.122 -1.555 51.259 1.00 26.48 C +ATOM 2481 C SER A 337 17.943 -3.060 51.018 1.00 25.92 C +ATOM 2482 O SER A 337 17.209 -3.511 50.149 1.00 29.89 O +ATOM 2483 CB SER A 337 19.592 -1.247 51.184 1.00 23.08 C +ATOM 2484 OG SER A 337 19.973 -1.377 49.868 1.00 22.79 O +ATOM 2485 N LEU A 338 18.571 -3.891 51.830 1.00 24.45 N +ATOM 2486 CA LEU A 338 18.396 -5.319 51.658 1.00 27.07 C +ATOM 2487 C LEU A 338 16.946 -5.790 51.618 1.00 28.65 C +ATOM 2488 O LEU A 338 16.596 -6.725 50.927 1.00 30.17 O +ATOM 2489 CB LEU A 338 19.069 -6.020 52.833 1.00 30.56 C +ATOM 2490 CG LEU A 338 20.318 -6.862 52.611 1.00 41.96 C +ATOM 2491 CD1 LEU A 338 19.772 -8.031 51.859 1.00 50.78 C +ATOM 2492 CD2 LEU A 338 21.496 -6.144 51.875 1.00 41.29 C +ATOM 2493 N MET A 339 16.095 -5.205 52.441 1.00 30.61 N +ATOM 2494 CA MET A 339 14.721 -5.621 52.484 1.00 28.68 C +ATOM 2495 C MET A 339 13.915 -5.139 51.308 1.00 32.10 C +ATOM 2496 O MET A 339 12.892 -5.747 51.044 1.00 33.27 O +ATOM 2497 CB MET A 339 14.065 -5.178 53.779 1.00 35.14 C +ATOM 2498 CG MET A 339 14.736 -5.701 55.045 1.00 37.20 C +ATOM 2499 SD MET A 339 13.838 -5.107 56.466 1.00 35.57 S +ATOM 2500 CE MET A 339 12.283 -5.905 56.234 1.00 21.72 C +ATOM 2501 N VAL A 340 14.258 -4.025 50.660 1.00 34.39 N +ATOM 2502 CA VAL A 340 13.521 -3.597 49.449 1.00 32.09 C +ATOM 2503 C VAL A 340 13.889 -4.665 48.390 1.00 34.16 C +ATOM 2504 O VAL A 340 13.003 -5.172 47.701 1.00 36.26 O +ATOM 2505 CB VAL A 340 13.912 -2.138 48.985 1.00 25.05 C +ATOM 2506 CG1 VAL A 340 13.327 -1.771 47.613 1.00 19.70 C +ATOM 2507 CG2 VAL A 340 13.450 -1.160 50.061 1.00 19.84 C +ATOM 2508 N ALA A 341 15.174 -5.035 48.292 1.00 35.26 N +ATOM 2509 CA ALA A 341 15.637 -6.062 47.342 1.00 33.19 C +ATOM 2510 C ALA A 341 14.794 -7.333 47.443 1.00 32.80 C +ATOM 2511 O ALA A 341 14.545 -7.975 46.444 1.00 35.65 O +ATOM 2512 CB ALA A 341 17.125 -6.377 47.577 1.00 24.16 C +ATOM 2513 N GLN A 342 14.355 -7.687 48.648 1.00 33.98 N +ATOM 2514 CA GLN A 342 13.549 -8.872 48.896 1.00 34.97 C +ATOM 2515 C GLN A 342 12.097 -8.649 48.581 1.00 38.38 C +ATOM 2516 O GLN A 342 11.372 -9.599 48.216 1.00 41.00 O +ATOM 2517 CB GLN A 342 13.572 -9.318 50.370 1.00 39.51 C +ATOM 2518 CG GLN A 342 14.859 -9.926 50.889 1.00 42.83 C +ATOM 2519 CD GLN A 342 15.228 -11.129 50.063 1.00 43.67 C +ATOM 2520 OE1 GLN A 342 14.465 -12.101 50.003 1.00 35.48 O +ATOM 2521 NE2 GLN A 342 16.363 -11.051 49.371 1.00 24.38 N +ATOM 2522 N ALA A 343 11.658 -7.417 48.824 1.00 39.11 N +ATOM 2523 CA ALA A 343 10.255 -7.047 48.634 1.00 38.82 C +ATOM 2524 C ALA A 343 9.921 -6.912 47.156 1.00 38.96 C +ATOM 2525 O ALA A 343 8.819 -7.264 46.729 1.00 40.48 O +ATOM 2526 CB ALA A 343 9.921 -5.719 49.384 1.00 28.52 C +ATOM 2527 N ILE A 344 10.872 -6.405 46.376 1.00 40.92 N +ATOM 2528 CA ILE A 344 10.636 -6.145 44.966 1.00 42.47 C +ATOM 2529 C ILE A 344 10.044 -7.356 44.221 1.00 45.94 C +ATOM 2530 O ILE A 344 9.004 -7.226 43.581 1.00 46.54 O +ATOM 2531 CB ILE A 344 11.877 -5.502 44.292 1.00 39.03 C +ATOM 2532 CG1 ILE A 344 12.071 -4.054 44.746 1.00 33.78 C +ATOM 2533 CG2 ILE A 344 11.708 -5.463 42.770 1.00 36.70 C +ATOM 2534 CD1 ILE A 344 13.402 -3.575 44.214 1.00 22.96 C +ATOM 2535 N PRO A 345 10.668 -8.546 44.295 1.00 47.69 N +ATOM 2536 CA PRO A 345 10.183 -9.762 43.636 1.00 47.51 C +ATOM 2537 C PRO A 345 8.817 -10.265 44.062 1.00 48.15 C +ATOM 2538 O PRO A 345 8.123 -10.849 43.224 1.00 50.99 O +ATOM 2539 CB PRO A 345 11.237 -10.789 44.020 1.00 50.09 C +ATOM 2540 CG PRO A 345 12.487 -9.993 44.008 1.00 52.56 C +ATOM 2541 CD PRO A 345 12.049 -8.761 44.772 1.00 56.34 C +ATOM 2542 N LEU A 346 8.486 -10.074 45.341 1.00 47.31 N +ATOM 2543 CA LEU A 346 7.249 -10.530 45.948 1.00 47.72 C +ATOM 2544 C LEU A 346 6.090 -9.609 45.740 1.00 51.31 C +ATOM 2545 O LEU A 346 4.970 -10.082 45.687 1.00 52.11 O +ATOM 2546 CB LEU A 346 7.358 -10.677 47.453 1.00 42.17 C +ATOM 2547 CG LEU A 346 8.640 -11.157 48.106 1.00 46.23 C +ATOM 2548 CD1 LEU A 346 8.377 -11.226 49.606 1.00 45.15 C +ATOM 2549 CD2 LEU A 346 9.033 -12.502 47.529 1.00 47.00 C +ATOM 2550 N VAL A 347 6.320 -8.300 45.767 1.00 57.75 N +ATOM 2551 CA VAL A 347 5.221 -7.341 45.578 1.00 60.67 C +ATOM 2552 C VAL A 347 5.404 -6.324 44.446 1.00 62.36 C +ATOM 2553 O VAL A 347 4.447 -5.696 44.008 1.00 62.74 O +ATOM 2554 CB VAL A 347 4.804 -6.656 46.904 1.00 57.62 C +ATOM 2555 CG1 VAL A 347 4.132 -7.689 47.831 1.00 57.00 C +ATOM 2556 CG2 VAL A 347 6.011 -6.000 47.553 1.00 51.05 C +ATOM 2557 N GLY A 348 6.613 -6.215 43.913 1.00 65.53 N +ATOM 2558 CA GLY A 348 6.855 -5.298 42.805 1.00 69.77 C +ATOM 2559 C GLY A 348 7.088 -5.794 41.370 1.00 71.22 C +ATOM 2560 O GLY A 348 6.766 -6.932 40.970 1.00 70.91 O +ATOM 2561 N GLU A 349 7.694 -4.884 40.605 1.00 72.53 N +ATOM 2562 CA GLU A 349 8.015 -5.028 39.185 1.00 72.20 C +ATOM 2563 C GLU A 349 9.301 -4.272 38.810 1.00 73.02 C +ATOM 2564 O GLU A 349 9.311 -3.037 38.877 1.00 73.79 O +ATOM 2565 CB GLU A 349 6.846 -4.460 38.354 1.00 70.61 C +ATOM 2566 CG GLU A 349 6.406 -2.991 38.653 1.00 74.78 C +ATOM 2567 CD GLU A 349 5.730 -2.282 37.457 1.00 80.43 C +ATOM 2568 OE1 GLU A 349 6.439 -1.945 36.466 1.00 76.39 O +ATOM 2569 OE2 GLU A 349 4.490 -2.051 37.501 1.00 80.00 O +ATOM 2570 N LEU A 350 10.374 -4.980 38.448 1.00 72.81 N +ATOM 2571 CA LEU A 350 11.658 -4.375 38.021 1.00 71.75 C +ATOM 2572 C LEU A 350 12.851 -5.298 38.266 1.00 70.31 C +ATOM 2573 O LEU A 350 12.670 -6.518 38.359 1.00 70.82 O +ATOM 2574 CB LEU A 350 11.944 -2.981 38.644 1.00 69.16 C +ATOM 2575 CG LEU A 350 12.237 -2.712 40.123 1.00 60.12 C +ATOM 2576 CD1 LEU A 350 13.311 -1.666 40.263 1.00 59.78 C +ATOM 2577 CD2 LEU A 350 10.979 -2.305 40.857 1.00 63.52 C +ATOM 2578 N VAL A 351 14.047 -4.713 38.370 1.00 69.54 N +ATOM 2579 CA VAL A 351 15.291 -5.449 38.618 1.00 70.26 C +ATOM 2580 C VAL A 351 15.738 -5.285 40.064 1.00 69.75 C +ATOM 2581 O VAL A 351 16.862 -4.844 40.327 1.00 69.58 O +ATOM 2582 CB VAL A 351 16.466 -4.997 37.682 1.00 71.64 C +ATOM 2583 CG1 VAL A 351 16.891 -3.540 37.962 1.00 73.07 C +ATOM 2584 CG2 VAL A 351 17.653 -5.952 37.822 1.00 71.83 C +ATOM 2585 N ASP A 352 14.851 -5.684 40.975 1.00 70.15 N +ATOM 2586 CA ASP A 352 15.036 -5.631 42.433 1.00 70.76 C +ATOM 2587 C ASP A 352 16.474 -5.400 42.848 1.00 70.42 C +ATOM 2588 O ASP A 352 16.793 -4.411 43.498 1.00 66.08 O +ATOM 2589 CB ASP A 352 14.537 -6.922 43.094 1.00 71.45 C +ATOM 2590 CG ASP A 352 14.511 -8.111 42.143 1.00 76.21 C +ATOM 2591 OD1 ASP A 352 13.710 -8.117 41.161 1.00 64.87 O +ATOM 2592 OD2 ASP A 352 15.296 -9.048 42.438 1.00 85.21 O +ATOM 2593 N ILE A 353 17.311 -6.333 42.405 1.00 70.84 N +ATOM 2594 CA ILE A 353 18.757 -6.348 42.608 1.00 72.59 C +ATOM 2595 C ILE A 353 19.418 -4.952 42.491 1.00 70.95 C +ATOM 2596 O ILE A 353 20.225 -4.515 43.358 1.00 72.42 O +ATOM 2597 CB ILE A 353 19.439 -7.340 41.562 1.00 79.05 C +ATOM 2598 CG1 ILE A 353 19.821 -6.657 40.233 1.00 75.78 C +ATOM 2599 CG2 ILE A 353 18.480 -8.483 41.152 1.00 77.79 C +ATOM 2600 CD1 ILE A 353 21.181 -7.130 39.689 1.00 72.93 C +ATOM 2601 N GLY A 354 19.077 -4.292 41.381 1.00 66.01 N +ATOM 2602 CA GLY A 354 19.635 -2.992 41.066 1.00 62.43 C +ATOM 2603 C GLY A 354 19.242 -1.813 41.937 1.00 57.02 C +ATOM 2604 O GLY A 354 20.033 -1.269 42.725 1.00 58.39 O +ATOM 2605 N PHE A 355 18.001 -1.400 41.738 1.00 50.60 N +ATOM 2606 CA PHE A 355 17.438 -0.271 42.458 1.00 48.62 C +ATOM 2607 C PHE A 355 17.844 -0.178 43.959 1.00 45.79 C +ATOM 2608 O PHE A 355 18.567 0.728 44.393 1.00 41.60 O +ATOM 2609 CB PHE A 355 15.916 -0.343 42.235 1.00 47.25 C +ATOM 2610 CG PHE A 355 15.141 0.540 43.134 1.00 39.49 C +ATOM 2611 CD1 PHE A 355 15.295 1.914 43.065 1.00 37.62 C +ATOM 2612 CD2 PHE A 355 14.286 -0.004 44.063 1.00 38.90 C +ATOM 2613 CE1 PHE A 355 14.607 2.728 43.912 1.00 37.48 C +ATOM 2614 CE2 PHE A 355 13.588 0.817 44.922 1.00 43.56 C +ATOM 2615 CZ PHE A 355 13.751 2.180 44.841 1.00 37.94 C +ATOM 2616 N ALA A 356 17.458 -1.209 44.704 1.00 43.62 N +ATOM 2617 CA ALA A 356 17.667 -1.348 46.132 1.00 39.64 C +ATOM 2618 C ALA A 356 19.039 -0.940 46.601 1.00 37.64 C +ATOM 2619 O ALA A 356 19.161 -0.204 47.581 1.00 39.79 O +ATOM 2620 CB ALA A 356 17.318 -2.787 46.569 1.00 29.11 C +ATOM 2621 N ALA A 357 20.056 -1.300 45.838 1.00 34.61 N +ATOM 2622 CA ALA A 357 21.408 -1.010 46.268 1.00 31.81 C +ATOM 2623 C ALA A 357 21.913 0.359 45.822 1.00 32.99 C +ATOM 2624 O ALA A 357 22.880 0.947 46.349 1.00 33.86 O +ATOM 2625 CB ALA A 357 22.325 -2.121 45.747 1.00 36.59 C +ATOM 2626 N TYR A 358 21.203 0.901 44.849 1.00 32.37 N +ATOM 2627 CA TYR A 358 21.678 2.127 44.275 1.00 33.45 C +ATOM 2628 C TYR A 358 20.828 3.393 44.415 1.00 32.15 C +ATOM 2629 O TYR A 358 21.128 4.214 45.278 1.00 28.26 O +ATOM 2630 CB TYR A 358 22.059 1.800 42.820 1.00 46.33 C +ATOM 2631 CG TYR A 358 22.519 2.973 41.962 1.00 70.04 C +ATOM 2632 CD1 TYR A 358 23.358 3.992 42.469 1.00 74.02 C +ATOM 2633 CD2 TYR A 358 22.068 3.092 40.641 1.00 74.88 C +ATOM 2634 CE1 TYR A 358 23.716 5.103 41.671 1.00 67.63 C +ATOM 2635 CE2 TYR A 358 22.423 4.188 39.845 1.00 73.30 C +ATOM 2636 CZ TYR A 358 23.238 5.196 40.356 1.00 71.07 C +ATOM 2637 OH TYR A 358 23.514 6.289 39.539 1.00 78.87 O +ATOM 2638 N ASN A 359 19.847 3.569 43.530 1.00 29.73 N +ATOM 2639 CA ASN A 359 19.028 4.761 43.551 1.00 30.69 C +ATOM 2640 C ASN A 359 18.119 4.802 44.756 1.00 31.29 C +ATOM 2641 O ASN A 359 17.652 5.883 45.089 1.00 32.96 O +ATOM 2642 CB ASN A 359 18.196 4.920 42.289 1.00 29.14 C +ATOM 2643 CG ASN A 359 18.879 5.768 41.236 1.00 30.76 C +ATOM 2644 OD1 ASN A 359 19.927 6.361 41.471 1.00 30.47 O +ATOM 2645 ND2 ASN A 359 18.280 5.813 40.045 1.00 32.36 N +ATOM 2646 N PHE A 360 17.869 3.642 45.373 1.00 27.84 N +ATOM 2647 CA PHE A 360 17.039 3.559 46.560 1.00 26.23 C +ATOM 2648 C PHE A 360 17.863 4.152 47.684 1.00 24.97 C +ATOM 2649 O PHE A 360 17.367 4.848 48.539 1.00 21.71 O +ATOM 2650 CB PHE A 360 16.723 2.130 46.989 1.00 19.27 C +ATOM 2651 CG PHE A 360 16.173 2.061 48.392 1.00 21.37 C +ATOM 2652 CD1 PHE A 360 14.897 2.525 48.664 1.00 25.00 C +ATOM 2653 CD2 PHE A 360 16.973 1.650 49.450 1.00 29.03 C +ATOM 2654 CE1 PHE A 360 14.431 2.594 49.942 1.00 26.96 C +ATOM 2655 CE2 PHE A 360 16.522 1.714 50.757 1.00 17.64 C +ATOM 2656 CZ PHE A 360 15.251 2.188 50.999 1.00 20.71 C +ATOM 2657 N VAL A 361 19.145 3.845 47.705 1.00 25.86 N +ATOM 2658 CA VAL A 361 19.966 4.375 48.763 1.00 24.25 C +ATOM 2659 C VAL A 361 20.251 5.863 48.601 1.00 26.88 C +ATOM 2660 O VAL A 361 20.219 6.611 49.582 1.00 29.01 O +ATOM 2661 CB VAL A 361 21.271 3.554 48.823 1.00 26.06 C +ATOM 2662 CG1 VAL A 361 22.253 4.170 49.829 1.00 24.24 C +ATOM 2663 CG2 VAL A 361 20.948 2.083 49.131 1.00 21.85 C +ATOM 2664 N GLU A 362 20.572 6.275 47.373 1.00 25.44 N +ATOM 2665 CA GLU A 362 20.907 7.652 47.072 1.00 23.20 C +ATOM 2666 C GLU A 362 19.779 8.577 47.452 1.00 25.96 C +ATOM 2667 O GLU A 362 19.971 9.671 48.000 1.00 24.58 O +ATOM 2668 CB GLU A 362 21.117 7.804 45.579 1.00 23.57 C +ATOM 2669 CG GLU A 362 22.452 7.285 45.155 1.00 28.74 C +ATOM 2670 CD GLU A 362 23.592 7.876 45.965 1.00 36.86 C +ATOM 2671 OE1 GLU A 362 23.831 9.112 45.997 1.00 36.59 O +ATOM 2672 OE2 GLU A 362 24.258 7.033 46.593 1.00 38.91 O +ATOM 2673 N SER A 363 18.598 8.088 47.104 1.00 24.50 N +ATOM 2674 CA SER A 363 17.360 8.797 47.302 1.00 23.13 C +ATOM 2675 C SER A 363 17.005 8.841 48.783 1.00 24.44 C +ATOM 2676 O SER A 363 16.679 9.916 49.267 1.00 23.97 O +ATOM 2677 CB SER A 363 16.251 8.152 46.469 1.00 17.65 C +ATOM 2678 OG SER A 363 15.053 8.863 46.629 1.00 25.91 O +ATOM 2679 N ILE A 364 17.101 7.734 49.522 1.00 23.64 N +ATOM 2680 CA ILE A 364 16.699 7.777 50.926 1.00 24.53 C +ATOM 2681 C ILE A 364 17.704 8.582 51.773 1.00 27.01 C +ATOM 2682 O ILE A 364 17.235 9.194 52.743 1.00 26.56 O +ATOM 2683 CB ILE A 364 16.282 6.371 51.485 1.00 26.68 C +ATOM 2684 CG1 ILE A 364 15.239 6.534 52.619 1.00 21.78 C +ATOM 2685 CG2 ILE A 364 17.545 5.557 51.866 1.00 23.48 C +ATOM 2686 CD1 ILE A 364 14.892 5.264 53.359 1.00 15.73 C +ATOM 2687 N ILE A 365 18.999 8.649 51.383 1.00 23.50 N +ATOM 2688 CA ILE A 365 20.006 9.476 52.058 1.00 21.17 C +ATOM 2689 C ILE A 365 19.537 10.921 52.008 1.00 23.53 C +ATOM 2690 O ILE A 365 19.596 11.638 53.000 1.00 23.83 O +ATOM 2691 CB ILE A 365 21.365 9.369 51.415 1.00 18.03 C +ATOM 2692 CG1 ILE A 365 21.991 8.051 51.833 1.00 22.37 C +ATOM 2693 CG2 ILE A 365 22.227 10.564 51.702 1.00 11.82 C +ATOM 2694 CD1 ILE A 365 23.395 7.829 51.285 1.00 22.43 C +ATOM 2695 N ASN A 366 18.981 11.306 50.857 1.00 26.65 N +ATOM 2696 CA ASN A 366 18.434 12.641 50.616 1.00 23.13 C +ATOM 2697 C ASN A 366 17.209 12.946 51.480 1.00 22.48 C +ATOM 2698 O ASN A 366 17.144 14.027 52.025 1.00 25.63 O +ATOM 2699 CB ASN A 366 18.165 12.830 49.120 1.00 22.10 C +ATOM 2700 CG ASN A 366 17.549 14.185 48.787 1.00 17.79 C +ATOM 2701 OD1 ASN A 366 18.226 15.092 48.324 1.00 27.91 O +ATOM 2702 ND2 ASN A 366 16.255 14.301 48.955 1.00 23.92 N +ATOM 2703 N LEU A 367 16.237 12.040 51.624 1.00 20.76 N +ATOM 2704 CA LEU A 367 15.082 12.254 52.483 1.00 20.91 C +ATOM 2705 C LEU A 367 15.491 12.361 54.003 1.00 16.36 C +ATOM 2706 O LEU A 367 14.864 13.109 54.760 1.00 17.67 O +ATOM 2707 CB LEU A 367 14.025 11.170 52.185 1.00 13.69 C +ATOM 2708 CG LEU A 367 13.601 11.038 50.729 1.00 14.29 C +ATOM 2709 CD1 LEU A 367 12.672 9.863 50.488 1.00 13.79 C +ATOM 2710 CD2 LEU A 367 12.887 12.325 50.410 1.00 12.82 C +ATOM 2711 N PHE A 368 16.578 11.709 54.401 1.00 16.25 N +ATOM 2712 CA PHE A 368 17.105 11.716 55.774 1.00 17.70 C +ATOM 2713 C PHE A 368 17.593 13.117 55.985 1.00 17.04 C +ATOM 2714 O PHE A 368 17.251 13.763 56.965 1.00 16.02 O +ATOM 2715 CB PHE A 368 18.305 10.768 56.012 1.00 14.38 C +ATOM 2716 CG PHE A 368 17.955 9.346 56.519 1.00 16.33 C +ATOM 2717 CD1 PHE A 368 17.379 8.382 55.689 1.00 16.75 C +ATOM 2718 CD2 PHE A 368 18.254 8.974 57.824 1.00 20.25 C +ATOM 2719 CE1 PHE A 368 17.128 7.099 56.143 1.00 18.65 C +ATOM 2720 CE2 PHE A 368 18.004 7.701 58.287 1.00 14.89 C +ATOM 2721 CZ PHE A 368 17.445 6.752 57.445 1.00 20.14 C +ATOM 2722 N GLN A 369 18.373 13.594 55.026 1.00 19.99 N +ATOM 2723 CA GLN A 369 18.928 14.944 55.085 1.00 18.76 C +ATOM 2724 C GLN A 369 17.822 16.002 55.154 1.00 21.73 C +ATOM 2725 O GLN A 369 18.008 16.944 55.946 1.00 23.86 O +ATOM 2726 CB GLN A 369 19.872 15.215 53.918 1.00 14.80 C +ATOM 2727 CG GLN A 369 21.255 14.619 54.057 1.00 17.59 C +ATOM 2728 CD GLN A 369 21.937 14.444 52.733 1.00 18.98 C +ATOM 2729 OE1 GLN A 369 23.139 14.284 52.692 1.00 21.31 O +ATOM 2730 NE2 GLN A 369 21.174 14.453 51.643 1.00 15.80 N +ATOM 2731 N VAL A 370 16.758 15.886 54.330 1.00 20.68 N +ATOM 2732 CA VAL A 370 15.597 16.775 54.338 1.00 18.32 C +ATOM 2733 C VAL A 370 15.017 16.769 55.763 1.00 19.19 C +ATOM 2734 O VAL A 370 14.818 17.828 56.400 1.00 22.12 O +ATOM 2735 CB VAL A 370 14.479 16.301 53.388 1.00 15.70 C +ATOM 2736 CG1 VAL A 370 13.222 16.984 53.673 1.00 14.17 C +ATOM 2737 CG2 VAL A 370 14.786 16.643 52.007 1.00 18.90 C +ATOM 2738 N VAL A 371 14.727 15.594 56.296 1.00 16.53 N +ATOM 2739 CA VAL A 371 14.117 15.566 57.619 1.00 16.25 C +ATOM 2740 C VAL A 371 14.975 15.979 58.824 1.00 17.70 C +ATOM 2741 O VAL A 371 14.437 16.551 59.769 1.00 16.10 O +ATOM 2742 CB VAL A 371 13.417 14.229 57.809 1.00 16.97 C +ATOM 2743 CG1 VAL A 371 12.715 14.133 59.203 1.00 21.55 C +ATOM 2744 CG2 VAL A 371 12.451 14.075 56.663 1.00 17.19 C +ATOM 2745 N HIS A 372 16.291 15.739 58.776 1.00 17.75 N +ATOM 2746 CA HIS A 372 17.251 16.135 59.798 1.00 16.25 C +ATOM 2747 C HIS A 372 17.363 17.660 59.799 1.00 20.45 C +ATOM 2748 O HIS A 372 17.418 18.272 60.885 1.00 21.09 O +ATOM 2749 CB HIS A 372 18.640 15.585 59.506 1.00 13.98 C +ATOM 2750 CG HIS A 372 18.783 14.114 59.704 1.00 12.06 C +ATOM 2751 ND1 HIS A 372 19.925 13.442 59.346 1.00 10.95 N +ATOM 2752 CD2 HIS A 372 17.948 13.191 60.234 1.00 14.72 C +ATOM 2753 CE1 HIS A 372 19.786 12.168 59.645 1.00 12.17 C +ATOM 2754 NE2 HIS A 372 18.595 11.984 60.184 1.00 18.02 N +ATOM 2755 N ASN A 373 17.387 18.272 58.608 1.00 17.42 N +ATOM 2756 CA ASN A 373 17.430 19.706 58.453 1.00 17.17 C +ATOM 2757 C ASN A 373 16.259 20.393 59.200 1.00 15.92 C +ATOM 2758 O ASN A 373 16.472 21.415 59.855 1.00 17.77 O +ATOM 2759 CB ASN A 373 17.330 20.090 56.965 1.00 26.99 C +ATOM 2760 CG ASN A 373 17.493 21.600 56.723 1.00 22.41 C +ATOM 2761 OD1 ASN A 373 16.545 22.309 56.451 1.00 23.26 O +ATOM 2762 ND2 ASN A 373 18.711 22.091 56.869 1.00 32.46 N +ATOM 2763 N SER A 374 15.047 19.853 59.097 1.00 13.56 N +ATOM 2764 CA SER A 374 13.856 20.398 59.736 1.00 14.49 C +ATOM 2765 C SER A 374 14.023 20.288 61.244 1.00 17.58 C +ATOM 2766 O SER A 374 13.726 21.228 61.981 1.00 18.63 O +ATOM 2767 CB SER A 374 12.643 19.575 59.375 1.00 15.44 C +ATOM 2768 OG SER A 374 12.257 19.750 58.042 1.00 19.54 O +ATOM 2769 N TYR A 375 14.463 19.124 61.719 1.00 16.57 N +ATOM 2770 CA TYR A 375 14.664 18.953 63.160 1.00 17.39 C +ATOM 2771 C TYR A 375 15.844 19.837 63.613 1.00 15.69 C +ATOM 2772 O TYR A 375 15.870 20.257 64.765 1.00 19.23 O +ATOM 2773 CB TYR A 375 14.784 17.473 63.610 1.00 15.05 C +ATOM 2774 CG TYR A 375 13.477 16.704 63.826 1.00 18.15 C +ATOM 2775 CD1 TYR A 375 12.668 16.947 64.944 1.00 15.67 C +ATOM 2776 CD2 TYR A 375 13.014 15.762 62.861 1.00 14.35 C +ATOM 2777 CE1 TYR A 375 11.415 16.284 65.096 1.00 11.92 C +ATOM 2778 CE2 TYR A 375 11.768 15.102 63.005 1.00 19.04 C +ATOM 2779 CZ TYR A 375 10.973 15.370 64.109 1.00 13.86 C +ATOM 2780 OH TYR A 375 9.727 14.763 64.188 1.00 13.25 O +ATOM 2781 N ASN A 376 16.768 20.215 62.738 1.00 15.74 N +ATOM 2782 CA ASN A 376 17.843 21.117 63.172 1.00 21.84 C +ATOM 2783 C ASN A 376 17.356 22.576 63.310 1.00 23.54 C +ATOM 2784 O ASN A 376 18.018 23.418 63.937 1.00 21.34 O +ATOM 2785 CB ASN A 376 19.088 21.096 62.250 1.00 22.84 C +ATOM 2786 CG ASN A 376 20.026 19.942 62.527 1.00 20.70 C +ATOM 2787 OD1 ASN A 376 20.022 19.396 63.608 1.00 17.68 O +ATOM 2788 ND2 ASN A 376 20.798 19.540 61.531 1.00 16.13 N +ATOM 2789 N ARG A 377 16.270 22.904 62.612 1.00 24.36 N +ATOM 2790 CA ARG A 377 15.645 24.228 62.661 1.00 21.35 C +ATOM 2791 C ARG A 377 14.768 24.445 63.903 1.00 20.32 C +ATOM 2792 O ARG A 377 14.069 23.547 64.389 1.00 19.09 O +ATOM 2793 CB ARG A 377 14.740 24.409 61.432 1.00 14.84 C +ATOM 2794 CG ARG A 377 15.576 24.502 60.197 1.00 13.97 C +ATOM 2795 CD ARG A 377 14.762 24.503 58.927 1.00 18.59 C +ATOM 2796 NE ARG A 377 15.420 25.325 57.919 1.00 29.08 N +ATOM 2797 CZ ARG A 377 15.400 26.660 57.945 1.00 30.96 C +ATOM 2798 NH1 ARG A 377 14.757 27.340 58.907 1.00 34.24 N +ATOM 2799 NH2 ARG A 377 16.061 27.314 57.012 1.00 22.02 N +ATOM 2800 N PRO A 378 14.766 25.672 64.432 1.00 23.03 N +ATOM 2801 CA PRO A 378 13.964 26.074 65.601 1.00 23.21 C +ATOM 2802 C PRO A 378 12.511 25.903 65.223 1.00 20.65 C +ATOM 2803 O PRO A 378 12.091 26.353 64.146 1.00 24.45 O +ATOM 2804 CB PRO A 378 14.234 27.557 65.726 1.00 28.00 C +ATOM 2805 CG PRO A 378 15.592 27.672 65.114 1.00 31.04 C +ATOM 2806 CD PRO A 378 15.582 26.785 63.929 1.00 23.31 C +ATOM 2807 N ALA A 379 11.772 25.294 66.135 1.00 16.78 N +ATOM 2808 CA ALA A 379 10.388 24.946 65.922 1.00 16.39 C +ATOM 2809 C ALA A 379 9.713 24.893 67.281 1.00 19.44 C +ATOM 2810 O ALA A 379 10.382 24.824 68.316 1.00 26.35 O +ATOM 2811 CB ALA A 379 10.334 23.577 65.297 1.00 13.42 C +ATOM 2812 N TYR A 380 8.391 24.959 67.279 1.00 18.18 N +ATOM 2813 CA TYR A 380 7.600 24.800 68.463 1.00 16.70 C +ATOM 2814 C TYR A 380 7.035 23.404 68.607 1.00 18.39 C +ATOM 2815 O TYR A 380 6.457 22.887 67.671 1.00 16.40 O +ATOM 2816 CB TYR A 380 6.406 25.701 68.420 1.00 20.63 C +ATOM 2817 CG TYR A 380 6.839 27.109 68.366 1.00 33.24 C +ATOM 2818 CD1 TYR A 380 7.697 27.605 69.327 1.00 32.94 C +ATOM 2819 CD2 TYR A 380 6.324 27.961 67.394 1.00 36.58 C +ATOM 2820 CE1 TYR A 380 8.027 28.924 69.339 1.00 32.75 C +ATOM 2821 CE2 TYR A 380 6.639 29.271 67.395 1.00 32.22 C +ATOM 2822 CZ TYR A 380 7.490 29.746 68.380 1.00 29.75 C +ATOM 2823 OH TYR A 380 7.747 31.099 68.409 1.00 44.50 O +ATOM 2824 N SER A 381 7.205 22.836 69.796 1.00 16.66 N +ATOM 2825 CA SER A 381 6.726 21.528 70.108 1.00 16.06 C +ATOM 2826 C SER A 381 5.234 21.526 70.294 1.00 13.61 C +ATOM 2827 O SER A 381 4.607 22.567 70.443 1.00 16.00 O +ATOM 2828 CB SER A 381 7.447 21.042 71.352 1.00 16.39 C +ATOM 2829 OG SER A 381 8.792 20.763 71.062 1.00 13.13 O +ATOM 2830 N PRO A 382 4.653 20.341 70.367 1.00 11.72 N +ATOM 2831 CA PRO A 382 3.216 20.359 70.531 1.00 14.42 C +ATOM 2832 C PRO A 382 2.773 21.074 71.784 1.00 14.84 C +ATOM 2833 O PRO A 382 3.401 21.034 72.836 1.00 17.33 O +ATOM 2834 CB PRO A 382 2.854 18.869 70.513 1.00 12.74 C +ATOM 2835 CG PRO A 382 3.867 18.322 69.611 1.00 14.69 C +ATOM 2836 CD PRO A 382 5.108 18.989 70.090 1.00 8.77 C +ATOM 2837 N GLY A 383 1.760 21.899 71.587 1.00 14.31 N +ATOM 2838 CA GLY A 383 1.185 22.598 72.700 1.00 13.81 C +ATOM 2839 C GLY A 383 1.921 23.877 73.018 1.00 15.32 C +ATOM 2840 O GLY A 383 1.573 24.506 74.012 1.00 17.33 O +ATOM 2841 N HIS A 384 2.860 24.292 72.186 1.00 15.30 N +ATOM 2842 CA HIS A 384 3.585 25.538 72.386 1.00 15.74 C +ATOM 2843 C HIS A 384 3.134 26.523 71.362 1.00 17.49 C +ATOM 2844 O HIS A 384 2.863 26.159 70.227 1.00 17.84 O +ATOM 2845 CB HIS A 384 5.091 25.316 72.281 1.00 13.54 C +ATOM 2846 CG HIS A 384 5.616 24.440 73.379 1.00 14.18 C +ATOM 2847 ND1 HIS A 384 6.420 24.919 74.394 1.00 17.68 N +ATOM 2848 CD2 HIS A 384 5.560 23.099 73.547 1.00 16.80 C +ATOM 2849 CE1 HIS A 384 6.872 23.907 75.111 1.00 15.42 C +ATOM 2850 NE2 HIS A 384 6.361 22.790 74.620 1.00 15.68 N +ATOM 2851 N LYS A 385 3.021 27.762 71.815 1.00 19.41 N +ATOM 2852 CA LYS A 385 2.509 28.876 71.020 1.00 17.36 C +ATOM 2853 C LYS A 385 1.216 28.405 70.328 1.00 15.92 C +ATOM 2854 O LYS A 385 0.291 27.917 70.990 1.00 13.25 O +ATOM 2855 CB LYS A 385 3.680 29.390 70.188 1.00 19.92 C +ATOM 2856 CG LYS A 385 4.856 29.984 71.078 1.00 20.11 C +ATOM 2857 CD LYS A 385 4.507 31.210 71.943 1.00 27.35 C +ATOM 2858 CE LYS A 385 5.106 31.309 73.394 1.00 29.80 C +ATOM 2859 NZ LYS A 385 4.300 31.223 74.740 1.00 17.04 N +ATOM 2860 N THR A 386 1.072 28.454 69.016 1.00 13.24 N +ATOM 2861 CA THR A 386 -0.183 27.933 68.532 1.00 19.28 C +ATOM 2862 C THR A 386 -0.037 26.512 67.909 1.00 18.85 C +ATOM 2863 O THR A 386 -0.956 26.032 67.249 1.00 18.88 O +ATOM 2864 CB THR A 386 -1.014 28.936 67.621 1.00 16.51 C +ATOM 2865 OG1 THR A 386 -0.266 29.161 66.426 1.00 22.73 O +ATOM 2866 CG2 THR A 386 -1.218 30.309 68.256 1.00 13.06 C +ATOM 2867 N GLN A 387 1.056 25.801 68.173 1.00 15.84 N +ATOM 2868 CA GLN A 387 1.122 24.453 67.680 1.00 15.04 C +ATOM 2869 C GLN A 387 0.177 23.559 68.478 1.00 15.17 C +ATOM 2870 O GLN A 387 0.154 23.605 69.695 1.00 16.52 O +ATOM 2871 CB GLN A 387 2.557 23.955 67.795 1.00 11.68 C +ATOM 2872 CG GLN A 387 3.401 24.541 66.739 1.00 10.55 C +ATOM 2873 CD GLN A 387 2.816 24.337 65.285 1.00 18.17 C +ATOM 2874 OE1 GLN A 387 2.824 25.286 64.464 1.00 21.36 O +ATOM 2875 NE2 GLN A 387 2.391 23.103 64.939 1.00 14.33 N +ATOM 2876 N PRO A 388 -0.702 22.787 67.801 1.00 18.49 N +ATOM 2877 CA PRO A 388 -1.617 21.893 68.538 1.00 19.65 C +ATOM 2878 C PRO A 388 -0.941 20.642 69.222 1.00 16.83 C +ATOM 2879 O PRO A 388 0.163 20.199 68.848 1.00 18.06 O +ATOM 2880 CB PRO A 388 -2.638 21.494 67.455 1.00 13.10 C +ATOM 2881 CG PRO A 388 -1.819 21.502 66.256 1.00 13.34 C +ATOM 2882 CD PRO A 388 -1.029 22.759 66.368 1.00 14.29 C +ATOM 2883 N PHE A 389 -1.597 20.108 70.250 1.00 13.58 N +ATOM 2884 CA PHE A 389 -1.146 18.918 70.956 1.00 13.75 C +ATOM 2885 C PHE A 389 -2.222 17.954 70.476 1.00 9.99 C +ATOM 2886 O PHE A 389 -3.383 18.135 70.713 1.00 13.60 O +ATOM 2887 CB PHE A 389 -1.183 19.146 72.479 1.00 16.00 C +ATOM 2888 CG PHE A 389 -0.540 18.054 73.295 1.00 10.60 C +ATOM 2889 CD1 PHE A 389 -1.240 16.925 73.626 1.00 11.30 C +ATOM 2890 CD2 PHE A 389 0.735 18.210 73.802 1.00 16.12 C +ATOM 2891 CE1 PHE A 389 -0.710 15.940 74.454 1.00 16.94 C +ATOM 2892 CE2 PHE A 389 1.294 17.214 74.658 1.00 19.05 C +ATOM 2893 CZ PHE A 389 0.551 16.086 74.968 1.00 16.16 C +ATOM 2894 N LEU A 390 -1.781 16.885 69.839 1.00 15.32 N +ATOM 2895 CA LEU A 390 -2.575 15.865 69.171 1.00 12.80 C +ATOM 2896 C LEU A 390 -2.445 14.513 69.891 1.00 13.37 C +ATOM 2897 O LEU A 390 -1.431 13.862 69.760 1.00 16.95 O +ATOM 2898 CB LEU A 390 -2.055 15.786 67.726 1.00 12.09 C +ATOM 2899 CG LEU A 390 -2.061 17.047 66.872 1.00 7.31 C +ATOM 2900 CD1 LEU A 390 -1.393 16.825 65.540 1.00 8.55 C +ATOM 2901 CD2 LEU A 390 -3.510 17.449 66.655 1.00 11.37 C +ATOM 2902 N HIS A 391 -3.500 14.054 70.569 1.00 16.91 N +ATOM 2903 CA HIS A 391 -3.361 12.860 71.393 1.00 13.69 C +ATOM 2904 C HIS A 391 -4.653 12.218 71.784 1.00 13.67 C +ATOM 2905 O HIS A 391 -5.589 12.873 72.269 1.00 15.46 O +ATOM 2906 CB HIS A 391 -2.682 13.357 72.667 1.00 23.16 C +ATOM 2907 CG HIS A 391 -2.490 12.315 73.717 1.00 24.38 C +ATOM 2908 ND1 HIS A 391 -1.614 11.265 73.554 1.00 17.78 N +ATOM 2909 CD2 HIS A 391 -3.035 12.185 74.949 1.00 16.49 C +ATOM 2910 CE1 HIS A 391 -1.634 10.528 74.648 1.00 18.97 C +ATOM 2911 NE2 HIS A 391 -2.485 11.064 75.505 1.00 20.43 N +ATOM 2912 N ASP A 392 -4.706 10.897 71.638 1.00 15.32 N +ATOM 2913 CA ASP A 392 -5.911 10.147 72.013 1.00 16.25 C +ATOM 2914 C ASP A 392 -7.116 10.575 71.223 1.00 14.44 C +ATOM 2915 O ASP A 392 -8.229 10.389 71.695 1.00 15.76 O +ATOM 2916 CB ASP A 392 -6.229 10.217 73.542 1.00 15.09 C +ATOM 2917 CG ASP A 392 -5.316 9.314 74.351 1.00 15.75 C +ATOM 2918 OD1 ASP A 392 -4.703 8.418 73.747 1.00 20.12 O +ATOM 2919 OD2 ASP A 392 -5.164 9.484 75.577 1.00 20.15 O +ATOM 2920 N GLY A 393 -6.913 11.120 70.024 1.00 17.57 N +ATOM 2921 CA GLY A 393 -8.066 11.600 69.264 1.00 16.72 C +ATOM 2922 C GLY A 393 -8.481 13.062 69.361 1.00 17.81 C +ATOM 2923 O GLY A 393 -9.245 13.573 68.513 1.00 16.78 O +ATOM 2924 N TYR A 394 -7.881 13.740 70.344 1.00 17.24 N +ATOM 2925 CA TYR A 394 -8.118 15.146 70.627 1.00 17.91 C +ATOM 2926 C TYR A 394 -7.083 16.050 69.919 1.00 15.68 C +ATOM 2927 O TYR A 394 -5.955 15.618 69.595 1.00 15.16 O +ATOM 2928 CB TYR A 394 -8.054 15.411 72.153 1.00 16.60 C +ATOM 2929 CG TYR A 394 -8.923 14.646 73.137 1.00 16.78 C +ATOM 2930 CD1 TYR A 394 -10.185 15.139 73.448 1.00 9.03 C +ATOM 2931 CD2 TYR A 394 -8.479 13.441 73.730 1.00 11.04 C +ATOM 2932 CE1 TYR A 394 -10.978 14.472 74.293 1.00 8.30 C +ATOM 2933 CE2 TYR A 394 -9.269 12.753 74.586 1.00 10.64 C +ATOM 2934 CZ TYR A 394 -10.527 13.297 74.845 1.00 11.16 C +ATOM 2935 OH TYR A 394 -11.440 12.691 75.663 1.00 12.88 O +ATOM 2936 N ALA A 395 -7.469 17.304 69.667 1.00 15.70 N +ATOM 2937 CA ALA A 395 -6.540 18.296 69.121 1.00 15.17 C +ATOM 2938 C ALA A 395 -6.793 19.503 70.035 1.00 14.39 C +ATOM 2939 O ALA A 395 -7.942 19.904 70.204 1.00 17.81 O +ATOM 2940 CB ALA A 395 -6.857 18.639 67.655 1.00 9.30 C +ATOM 2941 N VAL A 396 -5.777 20.087 70.661 1.00 15.29 N +ATOM 2942 CA VAL A 396 -6.000 21.257 71.498 1.00 14.33 C +ATOM 2943 C VAL A 396 -4.863 22.280 71.180 1.00 11.91 C +ATOM 2944 O VAL A 396 -3.747 21.944 70.776 1.00 12.51 O +ATOM 2945 CB VAL A 396 -6.026 20.906 73.044 1.00 11.71 C +ATOM 2946 CG1 VAL A 396 -7.042 19.876 73.387 1.00 7.88 C +ATOM 2947 CG2 VAL A 396 -4.635 20.426 73.470 1.00 11.52 C +ATOM 2948 N SER A 397 -5.152 23.572 71.271 1.00 13.20 N +ATOM 2949 CA SER A 397 -4.119 24.582 71.038 1.00 16.13 C +ATOM 2950 C SER A 397 -4.478 25.917 71.691 1.00 13.96 C +ATOM 2951 O SER A 397 -5.642 26.207 71.976 1.00 15.06 O +ATOM 2952 CB SER A 397 -3.851 24.808 69.537 1.00 13.51 C +ATOM 2953 OG SER A 397 -5.030 25.308 68.899 1.00 17.87 O +ATOM 2954 N TRP A 398 -3.477 26.735 71.981 1.00 12.14 N +ATOM 2955 CA TRP A 398 -3.781 28.068 72.491 1.00 14.50 C +ATOM 2956 C TRP A 398 -4.337 28.773 71.257 1.00 16.04 C +ATOM 2957 O TRP A 398 -3.763 28.692 70.165 1.00 13.67 O +ATOM 2958 CB TRP A 398 -2.496 28.799 72.885 1.00 10.86 C +ATOM 2959 CG TRP A 398 -1.829 28.207 74.138 1.00 15.35 C +ATOM 2960 CD1 TRP A 398 -0.681 27.474 74.186 1.00 17.01 C +ATOM 2961 CD2 TRP A 398 -2.223 28.403 75.513 1.00 18.12 C +ATOM 2962 NE1 TRP A 398 -0.327 27.212 75.502 1.00 19.37 N +ATOM 2963 CE2 TRP A 398 -1.256 27.778 76.331 1.00 16.87 C +ATOM 2964 CE3 TRP A 398 -3.276 29.081 76.134 1.00 18.41 C +ATOM 2965 CZ2 TRP A 398 -1.311 27.814 77.728 1.00 14.08 C +ATOM 2966 CZ3 TRP A 398 -3.319 29.112 77.531 1.00 22.24 C +ATOM 2967 CH2 TRP A 398 -2.344 28.487 78.302 1.00 15.77 C +ATOM 2968 N ASN A 399 -5.452 29.463 71.404 1.00 16.63 N +ATOM 2969 CA ASN A 399 -6.020 30.118 70.255 1.00 15.24 C +ATOM 2970 C ASN A 399 -5.079 31.098 69.561 1.00 17.98 C +ATOM 2971 O ASN A 399 -5.081 31.220 68.336 1.00 21.34 O +ATOM 2972 CB ASN A 399 -7.249 30.847 70.768 1.00 22.44 C +ATOM 2973 CG ASN A 399 -8.207 31.341 69.667 1.00 20.57 C +ATOM 2974 OD1 ASN A 399 -8.660 30.580 68.836 1.00 26.72 O +ATOM 2975 ND2 ASN A 399 -8.592 32.594 69.732 1.00 15.73 N +ATOM 2976 N THR A 400 -4.265 31.824 70.304 1.00 17.24 N +ATOM 2977 CA THR A 400 -3.352 32.785 69.708 1.00 12.34 C +ATOM 2978 C THR A 400 -2.128 32.720 70.573 1.00 15.81 C +ATOM 2979 O THR A 400 -2.169 32.137 71.671 1.00 15.90 O +ATOM 2980 CB THR A 400 -3.859 34.252 69.775 1.00 13.48 C +ATOM 2981 OG1 THR A 400 -4.038 34.701 71.123 1.00 12.69 O +ATOM 2982 CG2 THR A 400 -5.199 34.419 69.133 1.00 9.49 C +ATOM 2983 N VAL A 401 -1.027 33.261 70.061 1.00 15.60 N +ATOM 2984 CA VAL A 401 0.201 33.316 70.835 1.00 15.83 C +ATOM 2985 C VAL A 401 0.078 34.072 72.183 1.00 17.16 C +ATOM 2986 O VAL A 401 0.532 33.569 73.191 1.00 18.07 O +ATOM 2987 CB VAL A 401 1.378 33.764 69.965 1.00 15.47 C +ATOM 2988 CG1 VAL A 401 2.582 34.169 70.798 1.00 15.84 C +ATOM 2989 CG2 VAL A 401 1.744 32.577 69.032 1.00 18.68 C +ATOM 2990 N GLU A 402 -0.591 35.220 72.251 1.00 18.89 N +ATOM 2991 CA GLU A 402 -0.757 35.953 73.512 1.00 19.05 C +ATOM 2992 C GLU A 402 -1.499 35.157 74.571 1.00 15.62 C +ATOM 2993 O GLU A 402 -1.276 35.353 75.744 1.00 18.12 O +ATOM 2994 CB GLU A 402 -1.478 37.303 73.284 1.00 21.26 C +ATOM 2995 CG GLU A 402 -1.677 38.179 74.533 1.00 19.83 C +ATOM 2996 CD GLU A 402 -0.381 38.647 75.262 1.00 27.32 C +ATOM 2997 OE1 GLU A 402 0.731 38.693 74.703 1.00 26.13 O +ATOM 2998 OE2 GLU A 402 -0.461 38.976 76.459 1.00 30.05 O +ATOM 2999 N ASP A 403 -2.414 34.278 74.189 1.00 17.37 N +ATOM 3000 CA ASP A 403 -3.152 33.461 75.155 1.00 16.70 C +ATOM 3001 C ASP A 403 -2.225 32.593 76.009 1.00 13.95 C +ATOM 3002 O ASP A 403 -2.522 32.355 77.191 1.00 13.98 O +ATOM 3003 CB ASP A 403 -4.183 32.580 74.400 1.00 15.17 C +ATOM 3004 CG ASP A 403 -5.401 33.340 73.953 1.00 15.52 C +ATOM 3005 OD1 ASP A 403 -6.199 33.864 74.755 1.00 18.44 O +ATOM 3006 OD2 ASP A 403 -5.679 33.313 72.760 1.00 15.82 O +ATOM 3007 N SER A 404 -1.130 32.122 75.385 1.00 14.96 N +ATOM 3008 CA SER A 404 -0.072 31.265 75.954 1.00 13.67 C +ATOM 3009 C SER A 404 0.854 32.012 76.892 1.00 14.84 C +ATOM 3010 O SER A 404 1.693 31.414 77.534 1.00 16.63 O +ATOM 3011 CB SER A 404 0.816 30.566 74.897 1.00 13.45 C +ATOM 3012 OG SER A 404 1.711 31.404 74.163 1.00 19.62 O +ATOM 3013 N ILE A 405 0.645 33.311 77.022 1.00 20.00 N +ATOM 3014 CA ILE A 405 1.443 34.129 77.917 1.00 17.92 C +ATOM 3015 C ILE A 405 0.588 34.594 79.071 1.00 15.96 C +ATOM 3016 O ILE A 405 -0.519 35.087 78.906 1.00 16.98 O +ATOM 3017 CB ILE A 405 2.081 35.319 77.214 1.00 15.75 C +ATOM 3018 CG1 ILE A 405 2.982 34.818 76.064 1.00 21.43 C +ATOM 3019 CG2 ILE A 405 2.846 36.134 78.230 1.00 14.94 C +ATOM 3020 CD1 ILE A 405 3.389 35.891 75.070 1.00 30.70 C +ATOM 3021 N ILE A 406 1.121 34.315 80.250 1.00 16.35 N +ATOM 3022 CA ILE A 406 0.506 34.721 81.470 1.00 15.16 C +ATOM 3023 C ILE A 406 1.354 35.934 81.909 1.00 16.96 C +ATOM 3024 O ILE A 406 2.484 35.813 82.333 1.00 19.11 O +ATOM 3025 CB ILE A 406 0.547 33.582 82.483 1.00 16.78 C +ATOM 3026 CG1 ILE A 406 -0.219 32.329 81.986 1.00 14.36 C +ATOM 3027 CG2 ILE A 406 -0.051 34.115 83.740 1.00 17.86 C +ATOM 3028 CD1 ILE A 406 -0.245 31.079 82.917 1.00 9.50 C +ATOM 3029 N ARG A 407 0.854 37.144 81.783 1.00 14.71 N +ATOM 3030 CA ARG A 407 1.615 38.295 82.189 1.00 14.37 C +ATOM 3031 C ARG A 407 1.512 38.529 83.672 1.00 18.02 C +ATOM 3032 O ARG A 407 0.520 38.118 84.304 1.00 17.80 O +ATOM 3033 CB ARG A 407 1.146 39.458 81.392 1.00 13.58 C +ATOM 3034 CG ARG A 407 1.355 39.056 79.960 1.00 12.97 C +ATOM 3035 CD ARG A 407 1.782 40.190 79.142 1.00 24.98 C +ATOM 3036 NE ARG A 407 1.906 39.855 77.731 1.00 23.01 N +ATOM 3037 CZ ARG A 407 3.074 39.845 77.098 1.00 31.52 C +ATOM 3038 NH1 ARG A 407 4.173 40.145 77.771 1.00 28.07 N +ATOM 3039 NH2 ARG A 407 3.168 39.570 75.801 1.00 28.20 N +ATOM 3040 N THR A 408 2.579 39.128 84.216 1.00 19.95 N +ATOM 3041 CA THR A 408 2.748 39.305 85.670 1.00 19.73 C +ATOM 3042 C THR A 408 3.224 40.700 86.039 1.00 20.12 C +ATOM 3043 O THR A 408 3.539 41.474 85.138 1.00 20.14 O +ATOM 3044 CB THR A 408 3.669 38.151 86.233 1.00 15.95 C +ATOM 3045 OG1 THR A 408 3.461 37.994 87.631 1.00 25.50 O +ATOM 3046 CG2 THR A 408 5.126 38.370 85.958 1.00 18.57 C +ATOM 3047 N GLY A 409 3.112 41.053 87.321 1.00 22.17 N +ATOM 3048 CA GLY A 409 3.559 42.362 87.780 1.00 21.35 C +ATOM 3049 C GLY A 409 2.521 43.470 87.828 1.00 21.60 C +ATOM 3050 O GLY A 409 2.817 44.664 87.838 1.00 25.30 O +ATOM 3051 N PHE A 410 1.270 43.061 87.913 1.00 21.96 N +ATOM 3052 CA PHE A 410 0.222 44.040 87.923 1.00 21.03 C +ATOM 3053 C PHE A 410 -0.984 43.453 88.669 1.00 20.18 C +ATOM 3054 O PHE A 410 -1.049 42.228 88.806 1.00 18.76 O +ATOM 3055 CB PHE A 410 -0.081 44.407 86.473 1.00 13.56 C +ATOM 3056 CG PHE A 410 -0.813 43.347 85.728 1.00 18.26 C +ATOM 3057 CD1 PHE A 410 -2.218 43.327 85.708 1.00 19.89 C +ATOM 3058 CD2 PHE A 410 -0.105 42.402 84.995 1.00 14.87 C +ATOM 3059 CE1 PHE A 410 -2.898 42.364 84.951 1.00 13.55 C +ATOM 3060 CE2 PHE A 410 -0.746 41.447 84.240 1.00 15.44 C +ATOM 3061 CZ PHE A 410 -2.141 41.433 84.220 1.00 17.75 C +ATOM 3062 N GLN A 411 -1.873 44.319 89.178 1.00 16.53 N +ATOM 3063 CA GLN A 411 -3.111 43.896 89.823 1.00 21.46 C +ATOM 3064 C GLN A 411 -4.172 43.964 88.732 1.00 21.30 C +ATOM 3065 O GLN A 411 -4.223 44.956 88.012 1.00 22.33 O +ATOM 3066 CB GLN A 411 -3.578 44.862 90.885 1.00 20.71 C +ATOM 3067 CG GLN A 411 -2.805 44.690 92.141 1.00 24.32 C +ATOM 3068 CD GLN A 411 -3.268 45.658 93.217 1.00 29.39 C +ATOM 3069 OE1 GLN A 411 -3.508 46.844 92.951 1.00 39.66 O +ATOM 3070 NE2 GLN A 411 -3.374 45.172 94.438 1.00 36.44 N +ATOM 3071 N GLY A 412 -4.980 42.912 88.596 1.00 20.56 N +ATOM 3072 CA GLY A 412 -5.998 42.863 87.565 1.00 18.65 C +ATOM 3073 C GLY A 412 -6.250 41.501 86.967 1.00 16.45 C +ATOM 3074 O GLY A 412 -5.926 40.483 87.538 1.00 20.44 O +ATOM 3075 N GLU A 413 -6.843 41.476 85.787 1.00 17.81 N +ATOM 3076 CA GLU A 413 -7.182 40.221 85.173 1.00 15.35 C +ATOM 3077 C GLU A 413 -6.623 39.937 83.799 1.00 13.27 C +ATOM 3078 O GLU A 413 -6.106 40.829 83.166 1.00 15.63 O +ATOM 3079 CB GLU A 413 -8.686 40.133 85.162 1.00 18.55 C +ATOM 3080 CG GLU A 413 -9.335 40.793 83.996 1.00 16.79 C +ATOM 3081 CD GLU A 413 -10.772 40.952 84.294 1.00 16.51 C +ATOM 3082 OE1 GLU A 413 -11.508 39.961 84.234 1.00 24.60 O +ATOM 3083 OE2 GLU A 413 -11.182 42.084 84.606 1.00 18.95 O +ATOM 3084 N SER A 414 -6.627 38.669 83.390 1.00 17.05 N +ATOM 3085 CA SER A 414 -6.233 38.221 82.051 1.00 13.56 C +ATOM 3086 C SER A 414 -7.207 37.098 81.652 1.00 15.77 C +ATOM 3087 O SER A 414 -7.967 36.605 82.501 1.00 14.08 O +ATOM 3088 CB SER A 414 -4.764 37.791 81.950 1.00 10.90 C +ATOM 3089 OG SER A 414 -4.523 36.707 82.815 1.00 14.27 O +ATOM 3090 N GLY A 415 -7.282 36.803 80.344 1.00 13.02 N +ATOM 3091 CA GLY A 415 -8.162 35.761 79.850 1.00 10.35 C +ATOM 3092 C GLY A 415 -7.312 34.982 78.871 1.00 11.55 C +ATOM 3093 O GLY A 415 -6.476 35.579 78.208 1.00 15.72 O +ATOM 3094 N HIS A 416 -7.515 33.676 78.739 1.00 17.27 N +ATOM 3095 CA HIS A 416 -6.643 32.824 77.938 1.00 13.03 C +ATOM 3096 C HIS A 416 -7.565 31.788 77.328 1.00 17.23 C +ATOM 3097 O HIS A 416 -8.326 31.110 78.019 1.00 16.22 O +ATOM 3098 CB HIS A 416 -5.680 32.156 78.931 1.00 12.54 C +ATOM 3099 CG HIS A 416 -4.854 33.135 79.731 1.00 11.68 C +ATOM 3100 ND1 HIS A 416 -3.596 33.552 79.335 1.00 13.89 N +ATOM 3101 CD2 HIS A 416 -5.188 33.912 80.798 1.00 11.52 C +ATOM 3102 CE1 HIS A 416 -3.213 34.567 80.088 1.00 14.02 C +ATOM 3103 NE2 HIS A 416 -4.160 34.803 80.988 1.00 15.27 N +ATOM 3104 N ASP A 417 -7.546 31.698 76.009 1.00 17.17 N +ATOM 3105 CA ASP A 417 -8.380 30.751 75.258 1.00 13.64 C +ATOM 3106 C ASP A 417 -7.599 29.590 74.684 1.00 12.19 C +ATOM 3107 O ASP A 417 -6.576 29.727 73.991 1.00 11.36 O +ATOM 3108 CB ASP A 417 -9.084 31.412 74.062 1.00 12.19 C +ATOM 3109 CG ASP A 417 -10.077 32.467 74.464 1.00 13.74 C +ATOM 3110 OD1 ASP A 417 -10.979 32.238 75.309 1.00 13.51 O +ATOM 3111 OD2 ASP A 417 -9.967 33.550 73.871 1.00 14.73 O +ATOM 3112 N ILE A 418 -8.186 28.428 74.918 1.00 12.62 N +ATOM 3113 CA ILE A 418 -7.669 27.164 74.430 1.00 14.64 C +ATOM 3114 C ILE A 418 -8.713 26.494 73.528 1.00 11.93 C +ATOM 3115 O ILE A 418 -9.833 26.273 73.913 1.00 12.88 O +ATOM 3116 CB ILE A 418 -7.275 26.238 75.653 1.00 10.75 C +ATOM 3117 CG1 ILE A 418 -6.052 26.872 76.332 1.00 15.56 C +ATOM 3118 CG2 ILE A 418 -6.954 24.755 75.214 1.00 11.87 C +ATOM 3119 CD1 ILE A 418 -5.787 26.381 77.771 1.00 12.97 C +ATOM 3120 N LYS A 419 -8.385 26.213 72.278 1.00 16.84 N +ATOM 3121 CA LYS A 419 -9.280 25.463 71.386 1.00 13.18 C +ATOM 3122 C LYS A 419 -9.262 23.955 71.696 1.00 13.36 C +ATOM 3123 O LYS A 419 -8.190 23.377 71.904 1.00 12.85 O +ATOM 3124 CB LYS A 419 -8.789 25.635 69.956 1.00 9.45 C +ATOM 3125 CG LYS A 419 -9.130 26.977 69.345 1.00 17.73 C +ATOM 3126 CD LYS A 419 -8.401 27.255 68.023 1.00 23.59 C +ATOM 3127 CE LYS A 419 -8.751 26.296 66.884 1.00 29.58 C +ATOM 3128 NZ LYS A 419 -7.917 26.646 65.650 1.00 33.11 N +ATOM 3129 N ILE A 420 -10.425 23.301 71.674 1.00 13.82 N +ATOM 3130 CA ILE A 420 -10.487 21.879 71.963 1.00 11.40 C +ATOM 3131 C ILE A 420 -11.507 21.241 71.022 1.00 10.37 C +ATOM 3132 O ILE A 420 -12.626 21.754 70.852 1.00 15.04 O +ATOM 3133 CB ILE A 420 -10.938 21.626 73.458 1.00 11.41 C +ATOM 3134 CG1 ILE A 420 -9.997 22.272 74.466 1.00 10.68 C +ATOM 3135 CG2 ILE A 420 -11.061 20.146 73.775 1.00 10.70 C +ATOM 3136 CD1 ILE A 420 -10.537 22.470 75.805 1.00 12.70 C +ATOM 3137 N THR A 421 -11.140 20.110 70.411 1.00 13.18 N +ATOM 3138 CA THR A 421 -12.064 19.296 69.610 1.00 13.76 C +ATOM 3139 C THR A 421 -11.456 17.928 69.531 1.00 12.65 C +ATOM 3140 O THR A 421 -10.404 17.695 70.135 1.00 16.05 O +ATOM 3141 CB THR A 421 -12.382 19.841 68.187 1.00 16.51 C +ATOM 3142 OG1 THR A 421 -13.608 19.246 67.708 1.00 15.78 O +ATOM 3143 CG2 THR A 421 -11.206 19.576 67.245 1.00 15.91 C +ATOM 3144 N ALA A 422 -12.135 16.995 68.880 1.00 12.58 N +ATOM 3145 CA ALA A 422 -11.611 15.646 68.760 1.00 13.55 C +ATOM 3146 C ALA A 422 -11.957 15.229 67.331 1.00 13.84 C +ATOM 3147 O ALA A 422 -12.880 15.773 66.747 1.00 14.72 O +ATOM 3148 CB ALA A 422 -12.210 14.703 69.811 1.00 9.88 C +ATOM 3149 N GLU A 423 -11.208 14.302 66.740 1.00 16.25 N +ATOM 3150 CA GLU A 423 -11.401 13.857 65.342 1.00 17.40 C +ATOM 3151 C GLU A 423 -12.709 13.240 64.836 1.00 18.24 C +ATOM 3152 O GLU A 423 -13.095 13.385 63.665 1.00 23.34 O +ATOM 3153 CB GLU A 423 -10.296 12.882 65.016 1.00 16.60 C +ATOM 3154 CG GLU A 423 -10.559 11.663 65.862 1.00 29.36 C +ATOM 3155 CD GLU A 423 -9.428 10.660 65.857 1.00 40.29 C +ATOM 3156 OE1 GLU A 423 -8.351 10.909 65.254 1.00 33.44 O +ATOM 3157 OE2 GLU A 423 -9.637 9.610 66.516 1.00 43.65 O +ATOM 3158 N ASN A 424 -13.434 12.548 65.703 1.00 21.96 N +ATOM 3159 CA ASN A 424 -14.657 11.897 65.248 1.00 17.36 C +ATOM 3160 C ASN A 424 -15.811 11.723 66.237 1.00 14.16 C +ATOM 3161 O ASN A 424 -16.654 12.613 66.354 1.00 15.02 O +ATOM 3162 CB ASN A 424 -14.173 10.599 64.578 1.00 19.60 C +ATOM 3163 CG ASN A 424 -15.264 9.800 63.930 1.00 17.28 C +ATOM 3164 OD1 ASN A 424 -16.432 10.116 63.989 1.00 18.95 O +ATOM 3165 ND2 ASN A 424 -14.875 8.713 63.324 1.00 19.39 N +ATOM 3166 N THR A 425 -15.898 10.585 66.927 1.00 16.27 N +ATOM 3167 CA THR A 425 -16.987 10.351 67.881 1.00 15.07 C +ATOM 3168 C THR A 425 -16.717 11.255 69.098 1.00 18.63 C +ATOM 3169 O THR A 425 -15.585 11.770 69.297 1.00 22.80 O +ATOM 3170 CB THR A 425 -17.032 8.855 68.304 1.00 17.49 C +ATOM 3171 OG1 THR A 425 -15.815 8.531 68.978 1.00 23.26 O +ATOM 3172 CG2 THR A 425 -17.245 7.902 67.087 1.00 14.39 C +ATOM 3173 N PRO A 426 -17.763 11.543 69.872 1.00 16.95 N +ATOM 3174 CA PRO A 426 -17.720 12.390 71.081 1.00 17.08 C +ATOM 3175 C PRO A 426 -16.887 11.857 72.243 1.00 17.52 C +ATOM 3176 O PRO A 426 -17.148 10.799 72.809 1.00 17.87 O +ATOM 3177 CB PRO A 426 -19.196 12.620 71.439 1.00 12.55 C +ATOM 3178 CG PRO A 426 -19.950 11.636 70.606 1.00 19.74 C +ATOM 3179 CD PRO A 426 -19.130 11.230 69.430 1.00 12.56 C +ATOM 3180 N LEU A 427 -15.785 12.560 72.470 1.00 21.14 N +ATOM 3181 CA LEU A 427 -14.803 12.306 73.523 1.00 21.21 C +ATOM 3182 C LEU A 427 -15.020 13.387 74.634 1.00 16.97 C +ATOM 3183 O LEU A 427 -15.135 14.601 74.362 1.00 12.70 O +ATOM 3184 CB LEU A 427 -13.379 12.267 72.904 1.00 21.79 C +ATOM 3185 CG LEU A 427 -13.094 11.008 72.074 1.00 19.09 C +ATOM 3186 CD1 LEU A 427 -11.649 11.059 71.709 1.00 12.21 C +ATOM 3187 CD2 LEU A 427 -13.519 9.695 72.734 1.00 16.20 C +ATOM 3188 N PRO A 428 -15.067 12.937 75.918 1.00 18.96 N +ATOM 3189 CA PRO A 428 -15.301 13.885 77.032 1.00 15.86 C +ATOM 3190 C PRO A 428 -14.116 14.727 77.486 1.00 16.38 C +ATOM 3191 O PRO A 428 -12.983 14.351 77.247 1.00 17.63 O +ATOM 3192 CB PRO A 428 -15.676 12.959 78.176 1.00 16.36 C +ATOM 3193 CG PRO A 428 -14.678 11.775 77.894 1.00 15.10 C +ATOM 3194 CD PRO A 428 -14.814 11.558 76.402 1.00 15.23 C +ATOM 3195 N ILE A 429 -14.342 15.868 78.135 1.00 16.40 N +ATOM 3196 CA ILE A 429 -13.224 16.628 78.729 1.00 17.19 C +ATOM 3197 C ILE A 429 -13.613 16.581 80.193 1.00 18.92 C +ATOM 3198 O ILE A 429 -14.727 16.982 80.576 1.00 17.54 O +ATOM 3199 CB ILE A 429 -13.080 18.092 78.237 1.00 19.00 C +ATOM 3200 CG1 ILE A 429 -12.697 18.139 76.738 1.00 20.79 C +ATOM 3201 CG2 ILE A 429 -12.212 18.908 79.185 1.00 17.64 C +ATOM 3202 CD1 ILE A 429 -11.449 17.447 76.294 1.00 10.25 C +ATOM 3203 N ALA A 430 -12.783 15.857 80.939 1.00 20.44 N +ATOM 3204 CA ALA A 430 -13.015 15.641 82.384 1.00 22.66 C +ATOM 3205 C ALA A 430 -12.800 16.873 83.232 1.00 20.24 C +ATOM 3206 O ALA A 430 -13.454 17.004 84.243 1.00 18.93 O +ATOM 3207 CB ALA A 430 -12.172 14.480 82.947 1.00 17.14 C +ATOM 3208 N GLY A 431 -11.866 17.724 82.815 1.00 20.53 N +ATOM 3209 CA GLY A 431 -11.597 18.960 83.514 1.00 19.78 C +ATOM 3210 C GLY A 431 -10.274 19.525 83.065 1.00 20.36 C +ATOM 3211 O GLY A 431 -9.689 19.172 82.032 1.00 18.48 O +ATOM 3212 N VAL A 432 -9.745 20.365 83.933 1.00 17.57 N +ATOM 3213 CA VAL A 432 -8.504 20.969 83.587 1.00 16.32 C +ATOM 3214 C VAL A 432 -7.715 21.305 84.829 1.00 16.54 C +ATOM 3215 O VAL A 432 -8.249 21.680 85.859 1.00 18.34 O +ATOM 3216 CB VAL A 432 -8.749 22.182 82.580 1.00 18.88 C +ATOM 3217 CG1 VAL A 432 -9.811 23.116 83.081 1.00 23.62 C +ATOM 3218 CG2 VAL A 432 -7.490 23.037 82.368 1.00 23.06 C +ATOM 3219 N LEU A 433 -6.405 21.215 84.684 1.00 19.50 N +ATOM 3220 CA LEU A 433 -5.419 21.509 85.721 1.00 16.92 C +ATOM 3221 C LEU A 433 -4.761 22.860 85.425 1.00 13.71 C +ATOM 3222 O LEU A 433 -4.095 23.049 84.427 1.00 18.31 O +ATOM 3223 CB LEU A 433 -4.366 20.392 85.685 1.00 18.09 C +ATOM 3224 CG LEU A 433 -4.923 19.057 86.150 1.00 18.62 C +ATOM 3225 CD1 LEU A 433 -3.943 18.037 85.761 1.00 17.48 C +ATOM 3226 CD2 LEU A 433 -5.215 19.005 87.644 1.00 19.36 C +ATOM 3227 N LEU A 434 -4.878 23.796 86.350 1.00 16.42 N +ATOM 3228 CA LEU A 434 -4.373 25.148 86.193 1.00 17.84 C +ATOM 3229 C LEU A 434 -3.396 25.577 87.285 1.00 20.98 C +ATOM 3230 O LEU A 434 -3.567 25.246 88.463 1.00 20.12 O +ATOM 3231 CB LEU A 434 -5.592 26.099 86.248 1.00 18.39 C +ATOM 3232 CG LEU A 434 -6.809 26.017 85.317 1.00 19.13 C +ATOM 3233 CD1 LEU A 434 -7.969 27.009 85.683 1.00 14.83 C +ATOM 3234 CD2 LEU A 434 -6.211 26.352 83.937 1.00 11.12 C +ATOM 3235 N PRO A 435 -2.369 26.349 86.916 1.00 24.28 N +ATOM 3236 CA PRO A 435 -1.463 26.769 87.986 1.00 25.91 C +ATOM 3237 C PRO A 435 -2.097 27.877 88.888 1.00 25.98 C +ATOM 3238 O PRO A 435 -2.898 28.693 88.459 1.00 23.39 O +ATOM 3239 CB PRO A 435 -0.233 27.277 87.191 1.00 25.41 C +ATOM 3240 CG PRO A 435 -0.884 27.931 85.999 1.00 22.96 C +ATOM 3241 CD PRO A 435 -1.939 26.890 85.607 1.00 24.36 C +ATOM 3242 N THR A 436 -1.818 27.868 90.180 1.00 25.36 N +ATOM 3243 CA THR A 436 -2.320 28.925 91.025 1.00 24.88 C +ATOM 3244 C THR A 436 -1.166 29.315 91.947 1.00 26.20 C +ATOM 3245 O THR A 436 -0.284 28.509 92.289 1.00 25.14 O +ATOM 3246 CB THR A 436 -3.503 28.459 91.852 1.00 29.55 C +ATOM 3247 OG1 THR A 436 -3.295 27.115 92.330 1.00 34.25 O +ATOM 3248 CG2 THR A 436 -4.744 28.574 91.041 1.00 26.53 C +ATOM 3249 N ILE A 437 -1.136 30.606 92.231 1.00 24.24 N +ATOM 3250 CA ILE A 437 -0.188 31.198 93.165 1.00 24.82 C +ATOM 3251 C ILE A 437 -1.119 32.166 93.882 1.00 25.03 C +ATOM 3252 O ILE A 437 -1.647 33.042 93.241 1.00 26.95 O +ATOM 3253 CB ILE A 437 0.855 32.029 92.455 1.00 20.14 C +ATOM 3254 CG1 ILE A 437 1.643 31.111 91.496 1.00 24.21 C +ATOM 3255 CG2 ILE A 437 1.655 32.811 93.497 1.00 19.57 C +ATOM 3256 CD1 ILE A 437 2.725 31.779 90.702 1.00 12.63 C +ATOM 3257 N PRO A 438 -1.383 32.032 95.194 1.00 27.38 N +ATOM 3258 CA PRO A 438 -2.310 33.025 95.774 1.00 25.13 C +ATOM 3259 C PRO A 438 -1.889 34.506 95.633 1.00 21.47 C +ATOM 3260 O PRO A 438 -0.712 34.830 95.836 1.00 20.87 O +ATOM 3261 CB PRO A 438 -2.521 32.544 97.229 1.00 22.69 C +ATOM 3262 CG PRO A 438 -2.291 31.059 97.114 1.00 37.35 C +ATOM 3263 CD PRO A 438 -1.044 30.983 96.168 1.00 27.50 C +ATOM 3264 N GLY A 439 -2.846 35.363 95.237 1.00 18.89 N +ATOM 3265 CA GLY A 439 -2.625 36.783 95.007 1.00 18.39 C +ATOM 3266 C GLY A 439 -2.053 37.134 93.657 1.00 15.76 C +ATOM 3267 O GLY A 439 -2.528 38.027 92.974 1.00 17.74 O +ATOM 3268 N LYS A 440 -1.005 36.415 93.292 1.00 19.36 N +ATOM 3269 CA LYS A 440 -0.288 36.619 92.025 1.00 21.21 C +ATOM 3270 C LYS A 440 -0.894 35.902 90.819 1.00 19.84 C +ATOM 3271 O LYS A 440 -0.642 36.236 89.669 1.00 23.18 O +ATOM 3272 CB LYS A 440 1.163 36.176 92.172 1.00 21.92 C +ATOM 3273 CG LYS A 440 1.925 37.029 93.192 1.00 22.79 C +ATOM 3274 CD LYS A 440 3.349 36.598 93.290 1.00 19.57 C +ATOM 3275 CE LYS A 440 4.296 37.433 94.187 1.00 23.46 C +ATOM 3276 NZ LYS A 440 5.687 36.985 93.771 1.00 17.03 N +ATOM 3277 N LEU A 441 -1.753 34.935 91.068 1.00 20.28 N +ATOM 3278 CA LEU A 441 -2.326 34.185 89.951 1.00 21.33 C +ATOM 3279 C LEU A 441 -3.449 33.334 90.459 1.00 14.87 C +ATOM 3280 O LEU A 441 -3.284 32.128 90.665 1.00 18.58 O +ATOM 3281 CB LEU A 441 -1.286 33.266 89.260 1.00 21.12 C +ATOM 3282 CG LEU A 441 -1.605 32.568 87.911 1.00 24.43 C +ATOM 3283 CD1 LEU A 441 -1.677 33.585 86.770 1.00 21.88 C +ATOM 3284 CD2 LEU A 441 -0.527 31.555 87.549 1.00 24.62 C +ATOM 3285 N ASP A 442 -4.556 33.992 90.762 1.00 17.85 N +ATOM 3286 CA ASP A 442 -5.740 33.242 91.157 1.00 15.08 C +ATOM 3287 C ASP A 442 -6.679 32.909 89.989 1.00 14.51 C +ATOM 3288 O ASP A 442 -6.747 33.653 89.011 1.00 18.06 O +ATOM 3289 CB ASP A 442 -6.507 34.043 92.196 1.00 11.64 C +ATOM 3290 CG ASP A 442 -5.761 34.132 93.498 1.00 22.98 C +ATOM 3291 OD1 ASP A 442 -5.561 33.069 94.143 1.00 27.54 O +ATOM 3292 OD2 ASP A 442 -5.381 35.266 93.809 1.00 19.79 O +ATOM 3293 N VAL A 443 -7.469 31.855 90.129 1.00 16.90 N +ATOM 3294 CA VAL A 443 -8.435 31.550 89.077 1.00 20.46 C +ATOM 3295 C VAL A 443 -9.725 32.260 89.419 1.00 16.77 C +ATOM 3296 O VAL A 443 -10.174 32.129 90.549 1.00 19.24 O +ATOM 3297 CB VAL A 443 -8.717 30.025 88.940 1.00 22.32 C +ATOM 3298 CG1 VAL A 443 -9.935 29.756 88.016 1.00 13.44 C +ATOM 3299 CG2 VAL A 443 -7.456 29.371 88.396 1.00 20.79 C +ATOM 3300 N ASN A 444 -10.232 33.107 88.524 1.00 14.36 N +ATOM 3301 CA ASN A 444 -11.526 33.717 88.734 1.00 16.42 C +ATOM 3302 C ASN A 444 -12.546 32.653 88.221 1.00 19.97 C +ATOM 3303 O ASN A 444 -12.802 32.523 87.011 1.00 16.31 O +ATOM 3304 CB ASN A 444 -11.665 35.032 87.945 1.00 14.82 C +ATOM 3305 CG ASN A 444 -13.047 35.622 88.081 1.00 12.42 C +ATOM 3306 OD1 ASN A 444 -14.026 34.927 88.369 1.00 14.28 O +ATOM 3307 ND2 ASN A 444 -13.153 36.909 87.829 1.00 16.11 N +ATOM 3308 N LYS A 445 -13.161 31.919 89.151 1.00 19.75 N +ATOM 3309 CA LYS A 445 -14.097 30.851 88.855 1.00 20.36 C +ATOM 3310 C LYS A 445 -15.438 31.313 88.274 1.00 20.65 C +ATOM 3311 O LYS A 445 -16.249 30.450 87.894 1.00 19.38 O +ATOM 3312 CB LYS A 445 -14.396 30.000 90.084 1.00 19.81 C +ATOM 3313 CG LYS A 445 -13.260 29.153 90.687 1.00 38.28 C +ATOM 3314 CD LYS A 445 -13.880 28.205 91.715 1.00 45.10 C +ATOM 3315 CE LYS A 445 -15.250 27.681 91.142 1.00 49.05 C +ATOM 3316 NZ LYS A 445 -16.239 26.895 91.981 1.00 44.99 N +ATOM 3317 N SER A 446 -15.700 32.626 88.229 1.00 18.36 N +ATOM 3318 CA SER A 446 -16.952 33.105 87.618 1.00 19.86 C +ATOM 3319 C SER A 446 -16.780 33.259 86.101 1.00 18.03 C +ATOM 3320 O SER A 446 -17.618 32.815 85.312 1.00 18.49 O +ATOM 3321 CB SER A 446 -17.382 34.478 88.174 1.00 12.87 C +ATOM 3322 OG SER A 446 -17.567 34.458 89.564 1.00 17.37 O +ATOM 3323 N LYS A 447 -15.582 33.746 85.746 1.00 19.40 N +ATOM 3324 CA LYS A 447 -15.221 34.084 84.378 1.00 15.69 C +ATOM 3325 C LYS A 447 -14.601 33.003 83.535 1.00 17.03 C +ATOM 3326 O LYS A 447 -14.653 33.124 82.307 1.00 19.40 O +ATOM 3327 CB LYS A 447 -14.424 35.402 84.343 1.00 11.19 C +ATOM 3328 CG LYS A 447 -15.278 36.654 84.639 1.00 8.77 C +ATOM 3329 CD LYS A 447 -14.577 38.011 84.629 1.00 6.67 C +ATOM 3330 CE LYS A 447 -14.299 38.443 83.253 1.00 8.91 C +ATOM 3331 NZ LYS A 447 -13.934 39.838 83.223 1.00 7.70 N +ATOM 3332 N THR A 448 -14.127 31.954 84.217 1.00 14.62 N +ATOM 3333 CA THR A 448 -13.474 30.789 83.639 1.00 10.71 C +ATOM 3334 C THR A 448 -14.606 29.886 83.227 1.00 14.20 C +ATOM 3335 O THR A 448 -15.572 29.706 83.999 1.00 14.13 O +ATOM 3336 CB THR A 448 -12.547 30.054 84.663 1.00 13.19 C +ATOM 3337 OG1 THR A 448 -11.328 30.816 84.866 1.00 19.39 O +ATOM 3338 CG2 THR A 448 -12.153 28.626 84.177 1.00 10.65 C +ATOM 3339 N HIS A 449 -14.507 29.309 82.020 1.00 13.21 N +ATOM 3340 CA HIS A 449 -15.622 28.438 81.630 1.00 14.82 C +ATOM 3341 C HIS A 449 -15.179 27.654 80.418 1.00 14.76 C +ATOM 3342 O HIS A 449 -14.086 27.821 79.912 1.00 15.61 O +ATOM 3343 CB HIS A 449 -16.918 29.257 81.329 1.00 12.13 C +ATOM 3344 CG HIS A 449 -16.725 30.308 80.263 1.00 13.29 C +ATOM 3345 ND1 HIS A 449 -16.796 30.019 78.915 1.00 21.78 N +ATOM 3346 CD2 HIS A 449 -16.295 31.584 80.335 1.00 7.61 C +ATOM 3347 CE1 HIS A 449 -16.388 31.049 78.199 1.00 10.04 C +ATOM 3348 NE2 HIS A 449 -16.085 32.014 79.045 1.00 13.95 N +ATOM 3349 N ILE A 450 -16.055 26.774 79.960 1.00 16.60 N +ATOM 3350 CA ILE A 450 -15.749 26.098 78.733 1.00 13.82 C +ATOM 3351 C ILE A 450 -17.025 26.257 77.874 1.00 14.33 C +ATOM 3352 O ILE A 450 -18.136 26.093 78.330 1.00 15.92 O +ATOM 3353 CB ILE A 450 -15.267 24.659 78.954 1.00 14.71 C +ATOM 3354 CG1 ILE A 450 -15.018 24.089 77.549 1.00 15.25 C +ATOM 3355 CG2 ILE A 450 -16.332 23.870 79.775 1.00 24.81 C +ATOM 3356 CD1 ILE A 450 -14.087 22.935 77.417 1.00 30.06 C +ATOM 3357 N SER A 451 -16.861 26.708 76.639 1.00 15.89 N +ATOM 3358 CA SER A 451 -17.945 26.943 75.695 1.00 14.07 C +ATOM 3359 C SER A 451 -17.977 25.777 74.670 1.00 12.98 C +ATOM 3360 O SER A 451 -17.048 25.577 73.914 1.00 16.14 O +ATOM 3361 CB SER A 451 -17.659 28.279 74.985 1.00 9.56 C +ATOM 3362 OG SER A 451 -18.791 28.654 74.237 1.00 14.42 O +ATOM 3363 N VAL A 452 -19.060 25.013 74.613 1.00 14.46 N +ATOM 3364 CA VAL A 452 -19.185 23.899 73.671 1.00 13.25 C +ATOM 3365 C VAL A 452 -20.231 24.266 72.589 1.00 13.12 C +ATOM 3366 O VAL A 452 -21.449 24.319 72.845 1.00 17.46 O +ATOM 3367 CB VAL A 452 -19.568 22.636 74.450 1.00 10.83 C +ATOM 3368 CG1 VAL A 452 -19.520 21.435 73.512 1.00 11.76 C +ATOM 3369 CG2 VAL A 452 -18.693 22.486 75.664 1.00 9.55 C +ATOM 3370 N ASN A 453 -19.779 24.570 71.373 1.00 16.00 N +ATOM 3371 CA ASN A 453 -20.666 25.019 70.289 1.00 14.93 C +ATOM 3372 C ASN A 453 -21.474 26.208 70.767 1.00 12.88 C +ATOM 3373 O ASN A 453 -22.623 26.320 70.368 1.00 16.41 O +ATOM 3374 CB ASN A 453 -21.639 23.941 69.745 1.00 15.63 C +ATOM 3375 CG ASN A 453 -20.955 22.935 68.844 1.00 12.49 C +ATOM 3376 OD1 ASN A 453 -19.754 23.024 68.643 1.00 19.28 O +ATOM 3377 ND2 ASN A 453 -21.699 21.993 68.280 1.00 13.17 N +ATOM 3378 N GLY A 454 -20.869 27.069 71.596 1.00 14.23 N +ATOM 3379 CA GLY A 454 -21.496 28.277 72.134 1.00 11.03 C +ATOM 3380 C GLY A 454 -22.192 28.146 73.474 1.00 14.78 C +ATOM 3381 O GLY A 454 -22.608 29.134 74.100 1.00 16.47 O +ATOM 3382 N ARG A 455 -22.395 26.902 73.887 1.00 13.34 N +ATOM 3383 CA ARG A 455 -23.008 26.618 75.166 1.00 13.83 C +ATOM 3384 C ARG A 455 -21.917 26.894 76.222 1.00 17.44 C +ATOM 3385 O ARG A 455 -20.932 26.165 76.274 1.00 15.24 O +ATOM 3386 CB ARG A 455 -23.448 25.143 75.248 1.00 15.11 C +ATOM 3387 CG ARG A 455 -24.254 24.922 76.489 1.00 12.93 C +ATOM 3388 CD ARG A 455 -24.516 23.535 76.860 1.00 14.31 C +ATOM 3389 NE ARG A 455 -25.298 23.579 78.096 1.00 21.05 N +ATOM 3390 CZ ARG A 455 -25.914 22.519 78.605 1.00 20.84 C +ATOM 3391 NH1 ARG A 455 -25.826 21.334 78.005 1.00 26.92 N +ATOM 3392 NH2 ARG A 455 -26.647 22.630 79.697 1.00 21.60 N +ATOM 3393 N LYS A 456 -22.114 27.904 77.088 1.00 19.67 N +ATOM 3394 CA LYS A 456 -21.167 28.283 78.161 1.00 20.92 C +ATOM 3395 C LYS A 456 -21.415 27.457 79.456 1.00 20.81 C +ATOM 3396 O LYS A 456 -22.530 27.395 80.014 1.00 22.70 O +ATOM 3397 CB LYS A 456 -21.266 29.805 78.409 1.00 25.55 C +ATOM 3398 CG LYS A 456 -20.218 30.445 79.334 1.00 17.80 C +ATOM 3399 CD LYS A 456 -20.027 31.920 78.976 1.00 9.50 C +ATOM 3400 CE LYS A 456 -21.027 32.668 79.729 1.00 12.32 C +ATOM 3401 NZ LYS A 456 -20.551 34.021 79.500 1.00 15.19 N +ATOM 3402 N ILE A 457 -20.365 26.758 79.891 1.00 22.65 N +ATOM 3403 CA ILE A 457 -20.383 25.849 81.030 1.00 17.39 C +ATOM 3404 C ILE A 457 -19.334 26.358 82.010 1.00 16.67 C +ATOM 3405 O ILE A 457 -18.179 26.615 81.687 1.00 19.73 O +ATOM 3406 CB ILE A 457 -20.109 24.382 80.508 1.00 20.20 C +ATOM 3407 CG1 ILE A 457 -21.179 24.012 79.448 1.00 14.48 C +ATOM 3408 CG2 ILE A 457 -20.053 23.422 81.628 1.00 15.65 C +ATOM 3409 CD1 ILE A 457 -21.189 22.677 78.856 1.00 15.06 C +ATOM 3410 N ARG A 458 -19.797 26.634 83.215 1.00 21.05 N +ATOM 3411 CA ARG A 458 -18.935 27.095 84.299 1.00 23.30 C +ATOM 3412 C ARG A 458 -18.231 25.881 84.905 1.00 23.24 C +ATOM 3413 O ARG A 458 -18.605 24.732 84.651 1.00 22.74 O +ATOM 3414 CB ARG A 458 -19.796 27.747 85.388 1.00 28.11 C +ATOM 3415 CG ARG A 458 -20.401 29.107 85.064 1.00 33.32 C +ATOM 3416 CD ARG A 458 -19.731 30.117 85.972 1.00 16.26 C +ATOM 3417 NE ARG A 458 -20.324 31.419 85.820 1.00 18.61 N +ATOM 3418 CZ ARG A 458 -20.496 32.257 86.816 1.00 20.64 C +ATOM 3419 NH1 ARG A 458 -20.174 31.780 88.026 1.00 18.34 N +ATOM 3420 NH2 ARG A 458 -21.008 33.479 86.586 1.00 22.32 N +ATOM 3421 N MET A 459 -17.249 26.133 85.755 1.00 25.01 N +ATOM 3422 CA MET A 459 -16.469 25.070 86.365 1.00 26.16 C +ATOM 3423 C MET A 459 -16.494 25.150 87.889 1.00 24.36 C +ATOM 3424 O MET A 459 -16.896 26.176 88.448 1.00 24.43 O +ATOM 3425 CB MET A 459 -15.032 25.200 85.867 1.00 29.30 C +ATOM 3426 CG MET A 459 -14.918 25.636 84.372 1.00 32.79 C +ATOM 3427 SD MET A 459 -14.631 24.289 83.254 1.00 39.40 S +ATOM 3428 CE MET A 459 -13.053 23.881 83.597 1.00 19.09 C +ATOM 3429 N ARG A 460 -16.078 24.051 88.513 1.00 25.93 N +ATOM 3430 CA ARG A 460 -15.976 23.910 89.967 1.00 28.89 C +ATOM 3431 C ARG A 460 -14.526 23.515 90.125 1.00 32.48 C +ATOM 3432 O ARG A 460 -14.109 22.441 89.634 1.00 33.41 O +ATOM 3433 CB ARG A 460 -16.813 22.750 90.489 1.00 25.60 C +ATOM 3434 CG ARG A 460 -18.165 22.552 89.805 1.00 48.70 C +ATOM 3435 CD ARG A 460 -18.667 21.138 90.126 1.00 55.69 C +ATOM 3436 NE ARG A 460 -19.419 20.489 89.046 1.00 60.66 N +ATOM 3437 CZ ARG A 460 -19.435 19.173 88.785 1.00 59.50 C +ATOM 3438 NH1 ARG A 460 -18.686 18.311 89.474 1.00 63.05 N +ATOM 3439 NH2 ARG A 460 -20.180 18.704 87.787 1.00 55.30 N +ATOM 3440 N CYS A 461 -13.747 24.324 90.838 1.00 34.81 N +ATOM 3441 CA CYS A 461 -12.340 23.971 90.921 1.00 34.14 C +ATOM 3442 C CYS A 461 -11.943 23.571 92.295 1.00 39.98 C +ATOM 3443 O CYS A 461 -12.463 24.106 93.259 1.00 42.61 O +ATOM 3444 CB CYS A 461 -11.502 25.148 90.489 1.00 35.76 C +ATOM 3445 SG CYS A 461 -11.943 25.744 88.834 1.00 35.41 S +ATOM 3446 N ARG A 462 -10.967 22.690 92.393 1.00 43.90 N +ATOM 3447 CA ARG A 462 -10.566 22.193 93.696 1.00 49.22 C +ATOM 3448 C ARG A 462 -9.057 22.249 93.803 1.00 51.83 C +ATOM 3449 O ARG A 462 -8.375 22.030 92.806 1.00 54.45 O +ATOM 3450 CB ARG A 462 -11.042 20.737 93.867 1.00 54.18 C +ATOM 3451 CG ARG A 462 -11.534 20.068 92.552 1.00 62.29 C +ATOM 3452 CD ARG A 462 -11.751 18.558 92.695 1.00 65.60 C +ATOM 3453 NE ARG A 462 -10.685 17.671 92.188 1.00 71.62 N +ATOM 3454 CZ ARG A 462 -9.521 17.365 92.783 1.00 79.05 C +ATOM 3455 NH1 ARG A 462 -9.172 17.875 93.974 1.00 73.96 N +ATOM 3456 NH2 ARG A 462 -8.695 16.505 92.168 1.00 77.15 N +ATOM 3457 N ALA A 463 -8.546 22.584 94.986 1.00 53.56 N +ATOM 3458 CA ALA A 463 -7.109 22.616 95.231 1.00 52.07 C +ATOM 3459 C ALA A 463 -6.457 21.246 95.043 1.00 54.54 C +ATOM 3460 O ALA A 463 -7.127 20.209 95.101 1.00 53.94 O +ATOM 3461 CB ALA A 463 -6.865 23.059 96.620 1.00 59.05 C +ATOM 3462 N ILE A 464 -5.147 21.262 94.806 1.00 55.00 N +ATOM 3463 CA ILE A 464 -4.306 20.076 94.619 1.00 55.21 C +ATOM 3464 C ILE A 464 -2.991 20.659 95.187 1.00 56.25 C +ATOM 3465 O ILE A 464 -2.957 21.814 95.668 1.00 57.32 O +ATOM 3466 CB ILE A 464 -4.181 19.741 93.077 1.00 57.29 C +ATOM 3467 CG1 ILE A 464 -5.566 19.630 92.425 1.00 55.97 C +ATOM 3468 CG2 ILE A 464 -3.363 18.472 92.782 1.00 56.88 C +ATOM 3469 CD1 ILE A 464 -6.359 18.436 92.803 1.00 48.41 C +ATOM 3470 N ASP A 465 -1.911 19.880 95.154 1.00 56.26 N +ATOM 3471 CA ASP A 465 -0.616 20.354 95.629 1.00 57.64 C +ATOM 3472 C ASP A 465 0.223 20.507 94.359 1.00 57.34 C +ATOM 3473 O ASP A 465 0.069 19.762 93.389 1.00 58.42 O +ATOM 3474 CB ASP A 465 0.077 19.393 96.630 1.00 70.05 C +ATOM 3475 CG ASP A 465 -0.914 18.594 97.543 1.00 85.35 C +ATOM 3476 OD1 ASP A 465 -1.529 19.141 98.520 1.00 88.09 O +ATOM 3477 OD2 ASP A 465 -1.045 17.363 97.276 1.00 83.28 O +ATOM 3478 N GLY A 466 1.151 21.456 94.413 1.00 59.62 N +ATOM 3479 CA GLY A 466 2.014 21.830 93.301 1.00 57.48 C +ATOM 3480 C GLY A 466 1.472 23.174 92.813 1.00 56.29 C +ATOM 3481 O GLY A 466 1.858 23.657 91.736 1.00 57.84 O +ATOM 3482 N ASP A 467 0.591 23.775 93.624 1.00 51.84 N +ATOM 3483 CA ASP A 467 -0.080 25.037 93.311 1.00 46.60 C +ATOM 3484 C ASP A 467 -0.816 24.776 91.995 1.00 38.18 C +ATOM 3485 O ASP A 467 -0.499 25.377 90.975 1.00 35.25 O +ATOM 3486 CB ASP A 467 0.920 26.162 93.050 1.00 64.09 C +ATOM 3487 CG ASP A 467 1.827 26.455 94.235 1.00 71.58 C +ATOM 3488 OD1 ASP A 467 2.827 25.676 94.389 1.00 52.57 O +ATOM 3489 OD2 ASP A 467 1.497 27.479 94.923 1.00 54.13 O +ATOM 3490 N VAL A 468 -1.718 23.804 92.037 1.00 33.52 N +ATOM 3491 CA VAL A 468 -2.519 23.385 90.918 1.00 30.50 C +ATOM 3492 C VAL A 468 -3.939 23.238 91.430 1.00 32.78 C +ATOM 3493 O VAL A 468 -4.133 22.640 92.500 1.00 34.25 O +ATOM 3494 CB VAL A 468 -2.052 22.016 90.386 1.00 23.25 C +ATOM 3495 CG1 VAL A 468 -2.957 21.575 89.251 1.00 28.30 C +ATOM 3496 CG2 VAL A 468 -0.660 22.115 89.787 1.00 33.01 C +ATOM 3497 N THR A 469 -4.906 23.841 90.729 1.00 31.01 N +ATOM 3498 CA THR A 469 -6.319 23.673 91.057 1.00 30.37 C +ATOM 3499 C THR A 469 -6.979 22.739 89.987 1.00 32.76 C +ATOM 3500 O THR A 469 -6.561 22.733 88.825 1.00 30.95 O +ATOM 3501 CB THR A 469 -7.036 25.013 91.111 1.00 27.82 C +ATOM 3502 OG1 THR A 469 -8.409 24.726 91.270 1.00 44.82 O +ATOM 3503 CG2 THR A 469 -7.018 25.695 89.824 1.00 37.31 C +ATOM 3504 N PHE A 470 -7.934 21.884 90.335 1.00 28.14 N +ATOM 3505 CA PHE A 470 -8.492 21.009 89.338 1.00 26.85 C +ATOM 3506 C PHE A 470 -9.918 21.439 89.201 1.00 26.83 C +ATOM 3507 O PHE A 470 -10.703 21.384 90.121 1.00 28.70 O +ATOM 3508 CB PHE A 470 -8.446 19.543 89.730 1.00 26.48 C +ATOM 3509 CG PHE A 470 -9.124 18.639 88.713 1.00 30.01 C +ATOM 3510 CD1 PHE A 470 -8.564 18.397 87.476 1.00 32.61 C +ATOM 3511 CD2 PHE A 470 -10.298 17.987 88.996 1.00 27.91 C +ATOM 3512 CE1 PHE A 470 -9.157 17.519 86.551 1.00 44.64 C +ATOM 3513 CE2 PHE A 470 -10.896 17.104 88.083 1.00 37.80 C +ATOM 3514 CZ PHE A 470 -10.334 16.859 86.854 1.00 36.93 C +ATOM 3515 N CYS A 471 -10.238 21.843 87.988 1.00 27.72 N +ATOM 3516 CA CYS A 471 -11.543 22.348 87.616 1.00 23.30 C +ATOM 3517 C CYS A 471 -12.309 21.368 86.711 1.00 27.46 C +ATOM 3518 O CYS A 471 -11.765 20.882 85.696 1.00 28.09 O +ATOM 3519 CB CYS A 471 -11.310 23.645 86.854 1.00 20.03 C +ATOM 3520 SG CYS A 471 -10.404 24.952 87.768 1.00 31.30 S +ATOM 3521 N ARG A 472 -13.561 21.089 87.075 1.00 23.70 N +ATOM 3522 CA ARG A 472 -14.433 20.225 86.297 1.00 20.45 C +ATOM 3523 C ARG A 472 -15.647 20.986 85.754 1.00 22.19 C +ATOM 3524 O ARG A 472 -16.218 21.846 86.458 1.00 21.71 O +ATOM 3525 CB ARG A 472 -14.945 19.123 87.197 1.00 17.99 C +ATOM 3526 CG ARG A 472 -13.880 18.218 87.618 1.00 26.51 C +ATOM 3527 CD ARG A 472 -14.583 16.899 87.953 1.00 43.97 C +ATOM 3528 NE ARG A 472 -13.867 16.163 88.983 1.00 49.33 N +ATOM 3529 CZ ARG A 472 -13.911 16.522 90.265 1.00 69.56 C +ATOM 3530 NH1 ARG A 472 -14.668 17.577 90.634 1.00 70.39 N +ATOM 3531 NH2 ARG A 472 -13.209 15.818 91.165 1.00 63.82 N +ATOM 3532 N PRO A 473 -16.118 20.629 84.538 1.00 20.25 N +ATOM 3533 CA PRO A 473 -17.274 21.326 83.967 1.00 19.21 C +ATOM 3534 C PRO A 473 -18.523 21.055 84.797 1.00 23.62 C +ATOM 3535 O PRO A 473 -18.709 19.923 85.241 1.00 22.16 O +ATOM 3536 CB PRO A 473 -17.347 20.738 82.543 1.00 23.61 C +ATOM 3537 CG PRO A 473 -16.753 19.357 82.679 1.00 17.79 C +ATOM 3538 CD PRO A 473 -15.577 19.648 83.579 1.00 16.46 C +ATOM 3539 N LYS A 474 -19.326 22.085 85.073 1.00 19.09 N +ATOM 3540 CA LYS A 474 -20.563 21.931 85.835 1.00 21.21 C +ATOM 3541 C LYS A 474 -21.336 20.877 85.051 1.00 22.87 C +ATOM 3542 O LYS A 474 -21.807 19.946 85.679 1.00 29.28 O +ATOM 3543 CB LYS A 474 -21.387 23.213 85.893 1.00 17.81 C +ATOM 3544 CG LYS A 474 -21.734 23.802 87.206 1.00 30.30 C +ATOM 3545 CD LYS A 474 -20.609 24.507 87.903 1.00 33.47 C +ATOM 3546 CE LYS A 474 -20.983 24.823 89.349 1.00 41.16 C +ATOM 3547 NZ LYS A 474 -21.387 23.599 90.188 1.00 49.29 N +ATOM 3548 N SER A 475 -21.451 20.947 83.724 1.00 20.96 N +ATOM 3549 CA SER A 475 -22.127 19.882 82.977 1.00 22.88 C +ATOM 3550 C SER A 475 -21.243 19.095 82.054 1.00 22.32 C +ATOM 3551 O SER A 475 -20.119 19.500 81.730 1.00 20.08 O +ATOM 3552 CB SER A 475 -23.387 20.264 82.197 1.00 25.39 C +ATOM 3553 OG SER A 475 -23.378 21.538 81.640 1.00 18.27 O +ATOM 3554 N PRO A 476 -21.754 17.938 81.611 1.00 22.98 N +ATOM 3555 CA PRO A 476 -20.870 17.168 80.717 1.00 21.60 C +ATOM 3556 C PRO A 476 -20.344 17.820 79.382 1.00 17.24 C +ATOM 3557 O PRO A 476 -21.110 18.404 78.611 1.00 17.72 O +ATOM 3558 CB PRO A 476 -21.677 15.866 80.500 1.00 17.31 C +ATOM 3559 CG PRO A 476 -22.674 15.847 81.639 1.00 17.36 C +ATOM 3560 CD PRO A 476 -23.067 17.283 81.788 1.00 15.75 C +ATOM 3561 N VAL A 477 -19.016 17.837 79.196 1.00 22.83 N +ATOM 3562 CA VAL A 477 -18.343 18.300 77.946 1.00 20.06 C +ATOM 3563 C VAL A 477 -17.839 17.124 77.072 1.00 16.72 C +ATOM 3564 O VAL A 477 -17.138 16.180 77.523 1.00 17.64 O +ATOM 3565 CB VAL A 477 -17.172 19.275 78.239 1.00 15.66 C +ATOM 3566 CG1 VAL A 477 -16.440 19.627 76.959 1.00 11.84 C +ATOM 3567 CG2 VAL A 477 -17.744 20.507 78.958 1.00 10.69 C +ATOM 3568 N TYR A 478 -18.350 17.106 75.844 1.00 15.66 N +ATOM 3569 CA TYR A 478 -17.921 16.152 74.813 1.00 17.16 C +ATOM 3570 C TYR A 478 -17.533 16.977 73.568 1.00 16.49 C +ATOM 3571 O TYR A 478 -18.150 18.009 73.337 1.00 16.11 O +ATOM 3572 CB TYR A 478 -19.055 15.173 74.455 1.00 13.86 C +ATOM 3573 CG TYR A 478 -19.366 14.125 75.494 1.00 14.39 C +ATOM 3574 CD1 TYR A 478 -18.666 12.933 75.534 1.00 14.19 C +ATOM 3575 CD2 TYR A 478 -20.410 14.293 76.393 1.00 16.25 C +ATOM 3576 CE1 TYR A 478 -19.006 11.921 76.470 1.00 16.42 C +ATOM 3577 CE2 TYR A 478 -20.748 13.281 77.309 1.00 12.31 C +ATOM 3578 CZ TYR A 478 -20.049 12.130 77.338 1.00 14.81 C +ATOM 3579 OH TYR A 478 -20.371 11.168 78.255 1.00 18.54 O +ATOM 3580 N VAL A 479 -16.470 16.601 72.860 1.00 18.07 N +ATOM 3581 CA VAL A 479 -16.018 17.275 71.648 1.00 17.13 C +ATOM 3582 C VAL A 479 -15.882 16.178 70.608 1.00 15.17 C +ATOM 3583 O VAL A 479 -15.854 14.991 70.938 1.00 15.30 O +ATOM 3584 CB VAL A 479 -14.695 18.129 71.821 1.00 11.38 C +ATOM 3585 CG1 VAL A 479 -14.940 19.395 72.721 1.00 6.05 C +ATOM 3586 CG2 VAL A 479 -13.598 17.280 72.434 1.00 14.17 C +ATOM 3587 N GLY A 480 -15.832 16.548 69.336 1.00 13.46 N +ATOM 3588 CA GLY A 480 -15.666 15.537 68.295 1.00 18.69 C +ATOM 3589 C GLY A 480 -15.935 16.173 66.936 1.00 21.37 C +ATOM 3590 O GLY A 480 -16.033 17.407 66.927 1.00 20.21 O +ATOM 3591 N ASN A 481 -16.097 15.400 65.856 1.00 18.18 N +ATOM 3592 CA ASN A 481 -16.397 15.985 64.564 1.00 16.13 C +ATOM 3593 C ASN A 481 -17.703 16.842 64.648 1.00 16.69 C +ATOM 3594 O ASN A 481 -18.816 16.330 64.895 1.00 17.95 O +ATOM 3595 CB ASN A 481 -16.454 14.864 63.504 1.00 12.88 C +ATOM 3596 CG ASN A 481 -16.706 15.414 62.107 1.00 16.49 C +ATOM 3597 OD1 ASN A 481 -17.407 16.420 61.906 1.00 19.12 O +ATOM 3598 ND2 ASN A 481 -16.089 14.804 61.131 1.00 14.07 N +ATOM 3599 N GLY A 482 -17.618 18.163 64.463 1.00 13.84 N +ATOM 3600 CA GLY A 482 -18.845 18.937 64.592 1.00 13.03 C +ATOM 3601 C GLY A 482 -19.153 19.559 65.958 1.00 15.11 C +ATOM 3602 O GLY A 482 -20.131 20.291 66.126 1.00 16.30 O +ATOM 3603 N VAL A 483 -18.343 19.227 66.959 1.00 15.29 N +ATOM 3604 CA VAL A 483 -18.547 19.745 68.327 1.00 14.64 C +ATOM 3605 C VAL A 483 -17.218 20.266 68.833 1.00 15.03 C +ATOM 3606 O VAL A 483 -16.280 19.488 68.997 1.00 15.53 O +ATOM 3607 CB VAL A 483 -19.194 18.685 69.295 1.00 20.17 C +ATOM 3608 CG1 VAL A 483 -19.441 19.285 70.715 1.00 14.05 C +ATOM 3609 CG2 VAL A 483 -20.554 18.195 68.734 1.00 14.50 C +ATOM 3610 N HIS A 484 -17.092 21.578 69.017 1.00 13.93 N +ATOM 3611 CA HIS A 484 -15.795 22.103 69.420 1.00 14.44 C +ATOM 3612 C HIS A 484 -15.997 22.952 70.637 1.00 12.57 C +ATOM 3613 O HIS A 484 -17.094 23.368 70.864 1.00 9.87 O +ATOM 3614 CB HIS A 484 -15.049 22.876 68.293 1.00 15.52 C +ATOM 3615 CG HIS A 484 -15.932 23.766 67.474 1.00 18.66 C +ATOM 3616 ND1 HIS A 484 -16.316 25.023 67.896 1.00 16.39 N +ATOM 3617 CD2 HIS A 484 -16.633 23.528 66.331 1.00 17.52 C +ATOM 3618 CE1 HIS A 484 -17.228 25.513 67.073 1.00 15.23 C +ATOM 3619 NE2 HIS A 484 -17.436 24.630 66.114 1.00 15.72 N +ATOM 3620 N ALA A 485 -14.928 23.138 71.413 1.00 16.75 N +ATOM 3621 CA ALA A 485 -14.983 23.867 72.650 1.00 14.61 C +ATOM 3622 C ALA A 485 -13.908 24.921 72.724 1.00 12.28 C +ATOM 3623 O ALA A 485 -12.881 24.885 72.076 1.00 14.45 O +ATOM 3624 CB ALA A 485 -14.819 22.906 73.849 1.00 8.22 C +ATOM 3625 N ASN A 486 -14.233 25.930 73.502 1.00 13.66 N +ATOM 3626 CA ASN A 486 -13.267 26.941 73.796 1.00 12.20 C +ATOM 3627 C ASN A 486 -13.140 26.908 75.322 1.00 11.17 C +ATOM 3628 O ASN A 486 -14.110 27.160 76.010 1.00 11.55 O +ATOM 3629 CB ASN A 486 -13.653 28.362 73.351 1.00 14.61 C +ATOM 3630 CG ASN A 486 -12.525 29.390 73.612 1.00 16.41 C +ATOM 3631 OD1 ASN A 486 -11.455 29.347 72.989 1.00 18.33 O +ATOM 3632 ND2 ASN A 486 -12.740 30.274 74.594 1.00 14.06 N +ATOM 3633 N LEU A 487 -11.935 26.660 75.846 1.00 11.83 N +ATOM 3634 CA LEU A 487 -11.736 26.720 77.279 1.00 11.74 C +ATOM 3635 C LEU A 487 -11.186 28.104 77.508 1.00 11.64 C +ATOM 3636 O LEU A 487 -10.165 28.467 76.947 1.00 14.35 O +ATOM 3637 CB LEU A 487 -10.773 25.638 77.760 1.00 13.24 C +ATOM 3638 CG LEU A 487 -10.164 25.957 79.139 1.00 14.89 C +ATOM 3639 CD1 LEU A 487 -11.199 25.882 80.256 1.00 12.41 C +ATOM 3640 CD2 LEU A 487 -9.111 24.916 79.356 1.00 14.52 C +ATOM 3641 N HIS A 488 -11.922 28.924 78.252 1.00 12.50 N +ATOM 3642 CA HIS A 488 -11.493 30.273 78.555 1.00 11.19 C +ATOM 3643 C HIS A 488 -11.136 30.320 80.017 1.00 8.46 C +ATOM 3644 O HIS A 488 -12.036 30.217 80.864 1.00 14.49 O +ATOM 3645 CB HIS A 488 -12.665 31.260 78.387 1.00 5.07 C +ATOM 3646 CG HIS A 488 -12.248 32.670 78.680 1.00 8.50 C +ATOM 3647 ND1 HIS A 488 -11.506 33.404 77.782 1.00 10.55 N +ATOM 3648 CD2 HIS A 488 -12.426 33.468 79.759 1.00 9.54 C +ATOM 3649 CE1 HIS A 488 -11.259 34.594 78.294 1.00 8.31 C +ATOM 3650 NE2 HIS A 488 -11.799 34.660 79.493 1.00 9.38 N +ATOM 3651 N VAL A 489 -9.864 30.542 80.289 1.00 14.14 N +ATOM 3652 CA VAL A 489 -9.361 30.685 81.645 1.00 13.46 C +ATOM 3653 C VAL A 489 -9.145 32.147 81.985 1.00 15.31 C +ATOM 3654 O VAL A 489 -8.457 32.865 81.267 1.00 14.70 O +ATOM 3655 CB VAL A 489 -8.012 29.929 81.857 1.00 16.35 C +ATOM 3656 CG1 VAL A 489 -7.592 30.054 83.340 1.00 8.63 C +ATOM 3657 CG2 VAL A 489 -8.153 28.471 81.354 1.00 10.53 C +ATOM 3658 N ALA A 490 -9.786 32.592 83.065 1.00 15.84 N +ATOM 3659 CA ALA A 490 -9.666 33.967 83.493 1.00 15.54 C +ATOM 3660 C ALA A 490 -8.827 33.948 84.786 1.00 14.05 C +ATOM 3661 O ALA A 490 -9.167 33.244 85.748 1.00 13.92 O +ATOM 3662 CB ALA A 490 -11.057 34.470 83.780 1.00 4.49 C +ATOM 3663 N PHE A 491 -7.691 34.627 84.765 1.00 14.08 N +ATOM 3664 CA PHE A 491 -6.832 34.701 85.934 1.00 10.13 C +ATOM 3665 C PHE A 491 -6.991 36.049 86.624 1.00 14.15 C +ATOM 3666 O PHE A 491 -7.200 37.052 85.966 1.00 13.14 O +ATOM 3667 CB PHE A 491 -5.354 34.473 85.586 1.00 9.88 C +ATOM 3668 CG PHE A 491 -5.005 33.034 85.306 1.00 15.92 C +ATOM 3669 CD1 PHE A 491 -5.152 32.067 86.278 1.00 15.07 C +ATOM 3670 CD2 PHE A 491 -4.484 32.651 84.089 1.00 14.54 C +ATOM 3671 CE1 PHE A 491 -4.776 30.786 86.038 1.00 14.87 C +ATOM 3672 CE2 PHE A 491 -4.100 31.338 83.837 1.00 15.68 C +ATOM 3673 CZ PHE A 491 -4.248 30.418 84.817 1.00 19.19 C +ATOM 3674 N HIS A 492 -6.955 36.073 87.955 1.00 14.04 N +ATOM 3675 CA HIS A 492 -7.043 37.338 88.668 1.00 16.76 C +ATOM 3676 C HIS A 492 -5.834 37.573 89.594 1.00 17.26 C +ATOM 3677 O HIS A 492 -5.395 36.623 90.260 1.00 15.12 O +ATOM 3678 CB HIS A 492 -8.365 37.401 89.460 1.00 16.28 C +ATOM 3679 CG HIS A 492 -8.556 38.704 90.173 1.00 18.27 C +ATOM 3680 ND1 HIS A 492 -8.234 38.871 91.501 1.00 18.00 N +ATOM 3681 CD2 HIS A 492 -8.938 39.922 89.724 1.00 18.88 C +ATOM 3682 CE1 HIS A 492 -8.405 40.134 91.840 1.00 14.49 C +ATOM 3683 NE2 HIS A 492 -8.830 40.793 90.778 1.00 20.44 N +ATOM 3684 N ARG A 493 -5.281 38.803 89.578 1.00 17.65 N +ATOM 3685 CA ARG A 493 -4.147 39.187 90.435 1.00 18.96 C +ATOM 3686 C ARG A 493 -4.484 40.302 91.460 1.00 17.87 C +ATOM 3687 O ARG A 493 -4.865 41.440 91.147 1.00 19.30 O +ATOM 3688 CB ARG A 493 -2.932 39.572 89.597 1.00 13.95 C +ATOM 3689 CG ARG A 493 -2.708 38.657 88.413 1.00 13.14 C +ATOM 3690 CD ARG A 493 -2.017 39.466 87.342 1.00 15.11 C +ATOM 3691 NE ARG A 493 -1.521 38.636 86.250 1.00 15.14 N +ATOM 3692 CZ ARG A 493 -2.323 38.135 85.316 1.00 22.65 C +ATOM 3693 NH1 ARG A 493 -3.633 38.287 85.444 1.00 13.46 N +ATOM 3694 NH2 ARG A 493 -1.858 37.420 84.295 1.00 19.61 N +ATOM 3695 N SER A 494 -4.441 39.930 92.726 1.00 21.51 N +ATOM 3696 CA SER A 494 -4.660 40.888 93.816 1.00 23.68 C +ATOM 3697 C SER A 494 -3.310 41.514 94.262 1.00 27.20 C +ATOM 3698 O SER A 494 -3.280 42.445 95.061 1.00 28.44 O +ATOM 3699 CB SER A 494 -5.320 40.192 95.020 1.00 23.27 C +ATOM 3700 OG SER A 494 -4.548 39.094 95.518 1.00 20.96 O +ATOM 3701 N SER A 495 -2.174 41.044 93.749 1.00 24.84 N +ATOM 3702 CA SER A 495 -0.873 41.556 94.149 1.00 23.94 C +ATOM 3703 C SER A 495 -0.272 42.039 92.850 1.00 23.87 C +ATOM 3704 O SER A 495 -0.536 41.441 91.810 1.00 26.06 O +ATOM 3705 CB SER A 495 -0.082 40.390 94.773 1.00 16.47 C +ATOM 3706 OG SER A 495 1.296 40.649 94.794 1.00 21.40 O +ATOM 3707 N SER A 496 0.574 43.052 92.926 1.00 22.55 N +ATOM 3708 CA SER A 496 1.235 43.646 91.780 1.00 20.40 C +ATOM 3709 C SER A 496 2.635 43.132 91.703 1.00 23.57 C +ATOM 3710 O SER A 496 3.366 43.507 90.761 1.00 27.99 O +ATOM 3711 CB SER A 496 1.301 45.193 91.815 1.00 32.10 C +ATOM 3712 OG SER A 496 1.738 45.744 93.056 1.00 37.59 O +ATOM 3713 N GLU A 497 2.962 42.239 92.648 1.00 21.61 N +ATOM 3714 CA GLU A 497 4.284 41.616 92.729 1.00 22.86 C +ATOM 3715 C GLU A 497 4.458 40.548 91.627 1.00 26.09 C +ATOM 3716 O GLU A 497 3.524 39.764 91.357 1.00 25.65 O +ATOM 3717 CB GLU A 497 4.495 40.942 94.107 1.00 26.97 C +ATOM 3718 CG GLU A 497 4.791 41.818 95.357 1.00 23.33 C +ATOM 3719 CD GLU A 497 6.083 42.568 95.158 1.00 26.24 C +ATOM 3720 OE1 GLU A 497 6.028 43.671 94.554 1.00 24.71 O +ATOM 3721 OE2 GLU A 497 7.147 42.017 95.545 1.00 32.00 O +ATOM 3722 N LYS A 498 5.615 40.527 90.961 1.00 24.71 N +ATOM 3723 CA LYS A 498 5.855 39.486 89.967 1.00 24.21 C +ATOM 3724 C LYS A 498 6.033 38.067 90.471 1.00 22.83 C +ATOM 3725 O LYS A 498 6.731 37.775 91.451 1.00 22.35 O +ATOM 3726 CB LYS A 498 7.069 39.790 89.102 1.00 25.18 C +ATOM 3727 CG LYS A 498 6.960 41.059 88.299 1.00 32.54 C +ATOM 3728 CD LYS A 498 8.256 41.436 87.607 1.00 35.53 C +ATOM 3729 CE LYS A 498 7.992 42.676 86.722 1.00 59.05 C +ATOM 3730 NZ LYS A 498 9.066 43.056 85.710 1.00 66.59 N +ATOM 3731 N ILE A 499 5.413 37.196 89.692 1.00 25.83 N +ATOM 3732 CA ILE A 499 5.445 35.760 89.879 1.00 27.25 C +ATOM 3733 C ILE A 499 6.917 35.474 89.710 1.00 29.02 C +ATOM 3734 O ILE A 499 7.568 36.007 88.816 1.00 31.72 O +ATOM 3735 CB ILE A 499 4.646 34.963 88.787 1.00 18.97 C +ATOM 3736 CG1 ILE A 499 3.134 35.107 88.969 1.00 20.07 C +ATOM 3737 CG2 ILE A 499 5.058 33.526 88.814 1.00 17.69 C +ATOM 3738 CD1 ILE A 499 2.328 34.591 87.771 1.00 15.76 C +ATOM 3739 N HIS A 500 7.419 34.618 90.594 1.00 33.40 N +ATOM 3740 CA HIS A 500 8.798 34.157 90.594 1.00 33.63 C +ATOM 3741 C HIS A 500 8.737 32.647 90.219 1.00 34.66 C +ATOM 3742 O HIS A 500 7.772 31.923 90.570 1.00 32.49 O +ATOM 3743 CB HIS A 500 9.471 34.432 91.967 1.00 24.61 C +ATOM 3744 CG HIS A 500 10.914 34.052 92.006 1.00 26.37 C +ATOM 3745 ND1 HIS A 500 11.919 34.961 91.754 1.00 40.73 N +ATOM 3746 CD2 HIS A 500 11.524 32.854 92.190 1.00 23.64 C +ATOM 3747 CE1 HIS A 500 13.089 34.340 91.777 1.00 38.52 C +ATOM 3748 NE2 HIS A 500 12.876 33.060 92.035 1.00 30.59 N +ATOM 3749 N SER A 501 9.742 32.206 89.453 1.00 35.84 N +ATOM 3750 CA SER A 501 9.927 30.813 88.997 1.00 38.67 C +ATOM 3751 C SER A 501 9.776 29.782 90.105 1.00 36.94 C +ATOM 3752 O SER A 501 9.415 28.645 89.885 1.00 38.89 O +ATOM 3753 CB SER A 501 11.320 30.620 88.404 1.00 38.07 C +ATOM 3754 OG SER A 501 12.222 30.105 89.378 1.00 55.37 O +ATOM 3755 N ASN A 502 10.123 30.203 91.305 1.00 37.50 N +ATOM 3756 CA ASN A 502 10.035 29.349 92.460 1.00 36.90 C +ATOM 3757 C ASN A 502 8.600 28.990 92.759 1.00 36.13 C +ATOM 3758 O ASN A 502 8.293 27.857 93.173 1.00 36.84 O +ATOM 3759 CB ASN A 502 10.616 30.094 93.670 1.00 38.33 C +ATOM 3760 CG ASN A 502 12.110 30.174 93.618 1.00 38.89 C +ATOM 3761 OD1 ASN A 502 12.746 29.633 92.709 1.00 44.93 O +ATOM 3762 ND2 ASN A 502 12.692 30.864 94.584 1.00 50.21 N +ATOM 3763 N GLU A 503 7.750 29.992 92.554 1.00 33.33 N +ATOM 3764 CA GLU A 503 6.346 29.894 92.919 1.00 33.60 C +ATOM 3765 C GLU A 503 5.483 29.022 92.012 1.00 35.33 C +ATOM 3766 O GLU A 503 4.383 28.570 92.396 1.00 37.31 O +ATOM 3767 CB GLU A 503 5.810 31.321 92.982 1.00 32.73 C +ATOM 3768 CG GLU A 503 6.654 32.215 93.860 1.00 31.79 C +ATOM 3769 CD GLU A 503 6.127 33.608 93.907 1.00 24.81 C +ATOM 3770 OE1 GLU A 503 6.136 34.290 92.884 1.00 26.08 O +ATOM 3771 OE2 GLU A 503 5.666 34.023 94.981 1.00 37.45 O +ATOM 3772 N ILE A 504 6.012 28.782 90.814 1.00 34.17 N +ATOM 3773 CA ILE A 504 5.273 28.031 89.841 1.00 34.88 C +ATOM 3774 C ILE A 504 5.877 26.642 89.618 1.00 37.11 C +ATOM 3775 O ILE A 504 7.036 26.473 89.239 1.00 37.74 O +ATOM 3776 CB ILE A 504 5.168 28.907 88.607 1.00 37.10 C +ATOM 3777 CG1 ILE A 504 4.155 28.324 87.637 1.00 47.51 C +ATOM 3778 CG2 ILE A 504 6.550 29.196 88.066 1.00 41.20 C +ATOM 3779 CD1 ILE A 504 2.714 28.512 88.039 1.00 45.22 C +ATOM 3780 N SER A 505 5.084 25.615 89.898 1.00 39.75 N +ATOM 3781 CA SER A 505 5.530 24.232 89.710 1.00 46.50 C +ATOM 3782 C SER A 505 5.367 23.614 88.283 1.00 47.98 C +ATOM 3783 O SER A 505 6.149 22.744 87.876 1.00 51.11 O +ATOM 3784 CB SER A 505 4.835 23.330 90.755 1.00 52.44 C +ATOM 3785 OG SER A 505 4.848 23.866 92.084 1.00 65.64 O +ATOM 3786 N SER A 506 4.364 24.067 87.521 1.00 47.60 N +ATOM 3787 CA SER A 506 4.006 23.594 86.175 1.00 39.39 C +ATOM 3788 C SER A 506 4.360 24.640 85.128 1.00 35.29 C +ATOM 3789 O SER A 506 4.510 25.802 85.472 1.00 37.88 O +ATOM 3790 CB SER A 506 2.477 23.348 86.155 1.00 51.41 C +ATOM 3791 OG SER A 506 1.649 24.442 86.611 1.00 48.89 O +ATOM 3792 N ASP A 507 4.629 24.238 83.888 1.00 33.25 N +ATOM 3793 CA ASP A 507 4.837 25.179 82.761 1.00 30.08 C +ATOM 3794 C ASP A 507 3.754 24.916 81.696 1.00 23.25 C +ATOM 3795 O ASP A 507 3.869 25.357 80.566 1.00 25.20 O +ATOM 3796 CB ASP A 507 6.258 25.206 82.151 1.00 29.15 C +ATOM 3797 CG ASP A 507 6.601 23.951 81.370 1.00 35.25 C +ATOM 3798 OD1 ASP A 507 6.040 22.895 81.737 1.00 40.38 O +ATOM 3799 OD2 ASP A 507 7.416 24.024 80.406 1.00 45.62 O +ATOM 3800 N SER A 508 2.706 24.190 82.079 1.00 22.01 N +ATOM 3801 CA SER A 508 1.592 23.950 81.182 1.00 20.84 C +ATOM 3802 C SER A 508 0.230 23.865 81.835 1.00 18.44 C +ATOM 3803 O SER A 508 0.095 23.672 83.056 1.00 22.25 O +ATOM 3804 CB SER A 508 1.867 22.680 80.399 1.00 18.30 C +ATOM 3805 OG SER A 508 1.913 21.601 81.284 1.00 22.95 O +ATOM 3806 N ILE A 509 -0.809 24.123 81.055 1.00 18.84 N +ATOM 3807 CA ILE A 509 -2.151 23.896 81.555 1.00 17.43 C +ATOM 3808 C ILE A 509 -2.458 22.486 81.101 1.00 13.51 C +ATOM 3809 O ILE A 509 -2.091 22.120 79.989 1.00 16.83 O +ATOM 3810 CB ILE A 509 -3.141 24.923 80.977 1.00 17.62 C +ATOM 3811 CG1 ILE A 509 -3.064 26.124 81.902 1.00 11.36 C +ATOM 3812 CG2 ILE A 509 -4.579 24.372 80.863 1.00 14.12 C +ATOM 3813 CD1 ILE A 509 -3.325 27.403 81.265 1.00 13.33 C +ATOM 3814 N GLY A 510 -3.092 21.691 81.949 1.00 15.39 N +ATOM 3815 CA GLY A 510 -3.415 20.322 81.579 1.00 15.46 C +ATOM 3816 C GLY A 510 -4.883 20.047 81.283 1.00 18.16 C +ATOM 3817 O GLY A 510 -5.681 20.042 82.201 1.00 23.52 O +ATOM 3818 N VAL A 511 -5.276 19.744 80.052 1.00 18.25 N +ATOM 3819 CA VAL A 511 -6.680 19.456 79.808 1.00 17.77 C +ATOM 3820 C VAL A 511 -6.793 17.958 80.028 1.00 18.75 C +ATOM 3821 O VAL A 511 -5.956 17.221 79.548 1.00 20.32 O +ATOM 3822 CB VAL A 511 -7.056 19.855 78.363 1.00 20.58 C +ATOM 3823 CG1 VAL A 511 -8.480 19.405 78.060 1.00 15.39 C +ATOM 3824 CG2 VAL A 511 -6.728 21.340 78.131 1.00 13.08 C +ATOM 3825 N LEU A 512 -7.796 17.474 80.739 1.00 19.69 N +ATOM 3826 CA LEU A 512 -7.865 16.035 80.949 1.00 17.35 C +ATOM 3827 C LEU A 512 -8.962 15.466 80.101 1.00 17.44 C +ATOM 3828 O LEU A 512 -10.060 15.977 80.151 1.00 16.63 O +ATOM 3829 CB LEU A 512 -8.295 15.705 82.369 1.00 12.97 C +ATOM 3830 CG LEU A 512 -7.076 15.438 83.252 1.00 20.02 C +ATOM 3831 CD1 LEU A 512 -5.888 16.260 82.892 1.00 18.52 C +ATOM 3832 CD2 LEU A 512 -7.519 15.608 84.712 1.00 23.55 C +ATOM 3833 N GLY A 513 -8.588 14.486 79.280 1.00 17.57 N +ATOM 3834 CA GLY A 513 -9.499 13.770 78.428 1.00 15.73 C +ATOM 3835 C GLY A 513 -10.177 12.631 79.172 1.00 21.10 C +ATOM 3836 O GLY A 513 -10.317 12.666 80.385 1.00 20.45 O +ATOM 3837 N TYR A 514 -10.627 11.627 78.431 1.00 20.57 N +ATOM 3838 CA TYR A 514 -11.342 10.485 78.976 1.00 23.41 C +ATOM 3839 C TYR A 514 -10.475 9.603 79.888 1.00 22.45 C +ATOM 3840 O TYR A 514 -9.233 9.585 79.844 1.00 18.46 O +ATOM 3841 CB TYR A 514 -11.964 9.649 77.838 1.00 16.20 C +ATOM 3842 CG TYR A 514 -10.963 8.976 76.907 1.00 19.97 C +ATOM 3843 CD1 TYR A 514 -10.186 7.875 77.333 1.00 21.86 C +ATOM 3844 CD2 TYR A 514 -10.730 9.484 75.616 1.00 18.98 C +ATOM 3845 CE1 TYR A 514 -9.217 7.303 76.505 1.00 21.49 C +ATOM 3846 CE2 TYR A 514 -9.757 8.929 74.780 1.00 14.78 C +ATOM 3847 CZ TYR A 514 -9.031 7.848 75.233 1.00 21.01 C +ATOM 3848 OH TYR A 514 -8.158 7.253 74.376 1.00 19.65 O +ATOM 3849 N GLN A 515 -11.180 8.813 80.687 1.00 24.60 N +ATOM 3850 CA GLN A 515 -10.465 7.918 81.587 1.00 27.83 C +ATOM 3851 C GLN A 515 -10.379 6.469 81.150 1.00 30.49 C +ATOM 3852 O GLN A 515 -11.358 5.842 80.705 1.00 28.97 O +ATOM 3853 CB GLN A 515 -11.071 7.975 82.965 1.00 19.08 C +ATOM 3854 CG GLN A 515 -10.490 6.975 83.887 1.00 22.94 C +ATOM 3855 CD GLN A 515 -11.246 7.045 85.176 1.00 34.52 C +ATOM 3856 OE1 GLN A 515 -10.829 7.867 86.018 1.00 31.37 O +ATOM 3857 NE2 GLN A 515 -12.416 6.316 85.297 1.00 23.84 N +ATOM 3858 N LYS A 516 -9.157 5.985 81.357 1.00 34.20 N +ATOM 3859 CA LYS A 516 -8.703 4.621 81.068 1.00 40.35 C +ATOM 3860 C LYS A 516 -8.081 3.944 82.295 1.00 44.00 C +ATOM 3861 O LYS A 516 -7.273 4.562 82.989 1.00 40.07 O +ATOM 3862 CB LYS A 516 -7.606 4.687 80.011 1.00 39.31 C +ATOM 3863 CG LYS A 516 -6.949 6.064 79.981 1.00 41.99 C +ATOM 3864 CD LYS A 516 -5.984 6.150 78.819 1.00 41.75 C +ATOM 3865 CE LYS A 516 -5.832 7.557 78.299 1.00 32.59 C +ATOM 3866 NZ LYS A 516 -4.429 7.678 77.705 1.00 36.70 N +ATOM 3867 N THR A 517 -8.418 2.676 82.544 1.00 49.14 N +ATOM 3868 CA THR A 517 -7.830 1.945 83.675 1.00 53.40 C +ATOM 3869 C THR A 517 -6.591 1.216 83.139 1.00 56.24 C +ATOM 3870 O THR A 517 -6.393 0.003 83.261 1.00 56.07 O +ATOM 3871 CB THR A 517 -8.849 1.009 84.323 1.00 54.90 C +ATOM 3872 OG1 THR A 517 -9.194 -0.014 83.376 1.00 66.58 O +ATOM 3873 CG2 THR A 517 -10.100 1.815 84.752 1.00 45.33 C +ATOM 3874 N VAL A 518 -5.796 2.043 82.466 1.00 61.18 N +ATOM 3875 CA VAL A 518 -4.513 1.741 81.843 1.00 63.94 C +ATOM 3876 C VAL A 518 -3.672 1.477 83.085 1.00 67.91 C +ATOM 3877 O VAL A 518 -3.606 2.379 83.947 1.00 67.88 O +ATOM 3878 CB VAL A 518 -3.970 3.037 81.127 1.00 61.02 C +ATOM 3879 CG1 VAL A 518 -2.424 3.262 81.307 1.00 63.47 C +ATOM 3880 CG2 VAL A 518 -4.384 3.028 79.643 1.00 69.31 C +ATOM 3881 N ASP A 519 -3.072 0.276 83.159 1.00 70.11 N +ATOM 3882 CA ASP A 519 -2.205 -0.169 84.274 1.00 72.49 C +ATOM 3883 C ASP A 519 -3.085 -0.643 85.451 1.00 71.66 C +ATOM 3884 O ASP A 519 -2.590 -1.001 86.535 1.00 71.14 O +ATOM 3885 CB ASP A 519 -1.280 0.994 84.752 1.00 79.99 C +ATOM 3886 CG ASP A 519 0.242 0.716 84.619 1.00 79.94 C +ATOM 3887 OD1 ASP A 519 0.844 1.022 83.544 1.00 78.88 O +ATOM 3888 OD2 ASP A 519 0.833 0.254 85.633 1.00 79.24 O +ATOM 3889 N HIS A 520 -4.400 -0.659 85.220 1.00 70.52 N +ATOM 3890 CA HIS A 520 -5.388 -1.061 86.236 1.00 70.35 C +ATOM 3891 C HIS A 520 -5.384 -0.062 87.415 1.00 68.46 C +ATOM 3892 O HIS A 520 -5.967 -0.287 88.502 1.00 68.31 O +ATOM 3893 CB HIS A 520 -5.173 -2.528 86.618 1.00 70.31 C +ATOM 3894 CG HIS A 520 -4.719 -3.349 85.455 1.00 71.48 C +ATOM 3895 ND1 HIS A 520 -3.380 -3.597 85.199 1.00 74.39 N +ATOM 3896 CD2 HIS A 520 -5.411 -3.881 84.415 1.00 70.92 C +ATOM 3897 CE1 HIS A 520 -3.270 -4.239 84.050 1.00 81.26 C +ATOM 3898 NE2 HIS A 520 -4.486 -4.425 83.556 1.00 82.71 N +ATOM 3899 N THR A 521 -4.822 1.091 87.025 1.00 65.23 N +ATOM 3900 CA THR A 521 -4.657 2.360 87.723 1.00 59.52 C +ATOM 3901 C THR A 521 -5.346 3.338 86.705 1.00 57.18 C +ATOM 3902 O THR A 521 -4.906 3.573 85.557 1.00 54.29 O +ATOM 3903 CB THR A 521 -3.129 2.653 87.986 1.00 56.16 C +ATOM 3904 OG1 THR A 521 -2.683 1.989 89.182 1.00 62.76 O +ATOM 3905 CG2 THR A 521 -2.848 4.144 88.121 1.00 57.05 C +ATOM 3906 N LYS A 522 -6.538 3.772 87.113 1.00 52.72 N +ATOM 3907 CA LYS A 522 -7.350 4.732 86.388 1.00 48.26 C +ATOM 3908 C LYS A 522 -6.463 5.918 86.011 1.00 46.96 C +ATOM 3909 O LYS A 522 -5.893 6.570 86.881 1.00 46.96 O +ATOM 3910 CB LYS A 522 -8.492 5.212 87.290 1.00 40.80 C +ATOM 3911 CG LYS A 522 -9.567 4.145 87.421 1.00 50.98 C +ATOM 3912 CD LYS A 522 -10.632 4.406 88.505 1.00 55.58 C +ATOM 3913 CE LYS A 522 -11.881 3.488 88.340 1.00 58.16 C +ATOM 3914 NZ LYS A 522 -11.630 2.040 87.963 1.00 51.22 N +ATOM 3915 N VAL A 523 -6.392 6.209 84.714 1.00 45.51 N +ATOM 3916 CA VAL A 523 -5.624 7.326 84.189 1.00 41.83 C +ATOM 3917 C VAL A 523 -6.402 8.138 83.131 1.00 37.15 C +ATOM 3918 O VAL A 523 -7.167 7.597 82.332 1.00 34.58 O +ATOM 3919 CB VAL A 523 -4.260 6.818 83.692 1.00 45.63 C +ATOM 3920 CG1 VAL A 523 -4.416 5.918 82.480 1.00 37.75 C +ATOM 3921 CG2 VAL A 523 -3.328 8.004 83.415 1.00 55.44 C +ATOM 3922 N ASN A 524 -6.275 9.459 83.188 1.00 33.14 N +ATOM 3923 CA ASN A 524 -6.952 10.302 82.211 1.00 34.00 C +ATOM 3924 C ASN A 524 -6.116 10.664 80.995 1.00 29.08 C +ATOM 3925 O ASN A 524 -4.896 10.769 81.103 1.00 28.47 O +ATOM 3926 CB ASN A 524 -7.427 11.599 82.844 1.00 40.48 C +ATOM 3927 CG ASN A 524 -8.550 11.367 83.812 1.00 50.81 C +ATOM 3928 OD1 ASN A 524 -9.721 11.790 83.593 1.00 44.47 O +ATOM 3929 ND2 ASN A 524 -8.206 10.643 84.886 1.00 47.62 N +ATOM 3930 N SER A 525 -6.749 10.874 79.844 1.00 25.65 N +ATOM 3931 CA SER A 525 -5.983 11.246 78.656 1.00 21.37 C +ATOM 3932 C SER A 525 -5.428 12.652 78.965 1.00 20.53 C +ATOM 3933 O SER A 525 -6.182 13.512 79.426 1.00 23.45 O +ATOM 3934 CB SER A 525 -6.904 11.124 77.423 1.00 17.57 C +ATOM 3935 OG SER A 525 -6.172 11.612 76.338 1.00 25.38 O +ATOM 3936 N LYS A 526 -4.125 12.896 78.852 1.00 19.42 N +ATOM 3937 CA LYS A 526 -3.555 14.213 79.196 1.00 22.47 C +ATOM 3938 C LYS A 526 -3.145 15.029 77.974 1.00 19.46 C +ATOM 3939 O LYS A 526 -2.386 14.529 77.151 1.00 23.19 O +ATOM 3940 CB LYS A 526 -2.320 14.066 80.143 1.00 25.02 C +ATOM 3941 CG LYS A 526 -1.489 15.346 80.583 1.00 29.40 C +ATOM 3942 CD LYS A 526 -1.885 16.018 81.964 1.00 48.10 C +ATOM 3943 CE LYS A 526 -0.887 17.086 82.580 1.00 55.95 C +ATOM 3944 NZ LYS A 526 -1.202 18.290 83.535 1.00 42.81 N +ATOM 3945 N LEU A 527 -3.623 16.265 77.882 1.00 18.18 N +ATOM 3946 CA LEU A 527 -3.320 17.156 76.773 1.00 19.89 C +ATOM 3947 C LEU A 527 -2.694 18.416 77.392 1.00 18.40 C +ATOM 3948 O LEU A 527 -3.268 19.062 78.254 1.00 19.86 O +ATOM 3949 CB LEU A 527 -4.645 17.428 76.051 1.00 17.23 C +ATOM 3950 CG LEU A 527 -5.530 16.190 75.896 1.00 15.83 C +ATOM 3951 CD1 LEU A 527 -6.949 16.546 75.538 1.00 14.90 C +ATOM 3952 CD2 LEU A 527 -4.941 15.293 74.851 1.00 15.15 C +ATOM 3953 N SER A 528 -1.486 18.771 77.006 1.00 19.21 N +ATOM 3954 CA SER A 528 -0.841 19.921 77.652 1.00 20.17 C +ATOM 3955 C SER A 528 -0.657 21.180 76.805 1.00 20.00 C +ATOM 3956 O SER A 528 -0.221 21.090 75.638 1.00 16.68 O +ATOM 3957 CB SER A 528 0.556 19.501 78.102 1.00 16.66 C +ATOM 3958 OG SER A 528 0.505 18.316 78.864 1.00 22.24 O +ATOM 3959 N LEU A 529 -0.914 22.336 77.415 1.00 17.40 N +ATOM 3960 CA LEU A 529 -0.744 23.624 76.743 1.00 15.41 C +ATOM 3961 C LEU A 529 0.300 24.344 77.574 1.00 17.05 C +ATOM 3962 O LEU A 529 0.028 24.754 78.696 1.00 16.85 O +ATOM 3963 CB LEU A 529 -2.063 24.429 76.719 1.00 15.30 C +ATOM 3964 CG LEU A 529 -3.234 23.977 75.814 1.00 11.62 C +ATOM 3965 CD1 LEU A 529 -2.701 23.709 74.369 1.00 12.79 C +ATOM 3966 CD2 LEU A 529 -3.971 22.710 76.282 1.00 8.49 C +ATOM 3967 N PHE A 530 1.474 24.563 76.983 1.00 17.81 N +ATOM 3968 CA PHE A 530 2.599 25.190 77.660 1.00 16.14 C +ATOM 3969 C PHE A 530 2.550 26.682 77.617 1.00 20.09 C +ATOM 3970 O PHE A 530 2.394 27.297 76.531 1.00 20.83 O +ATOM 3971 CB PHE A 530 3.903 24.712 77.055 1.00 15.00 C +ATOM 3972 CG PHE A 530 4.032 23.224 77.101 1.00 16.53 C +ATOM 3973 CD1 PHE A 530 3.442 22.434 76.117 1.00 19.52 C +ATOM 3974 CD2 PHE A 530 4.656 22.598 78.162 1.00 19.99 C +ATOM 3975 CE1 PHE A 530 3.458 21.063 76.193 1.00 18.67 C +ATOM 3976 CE2 PHE A 530 4.682 21.194 78.252 1.00 21.36 C +ATOM 3977 CZ PHE A 530 4.090 20.441 77.281 1.00 24.08 C +ATOM 3978 N PHE A 531 2.747 27.265 78.797 1.00 16.66 N +ATOM 3979 CA PHE A 531 2.671 28.704 78.839 1.00 13.45 C +ATOM 3980 C PHE A 531 4.007 29.277 79.159 1.00 15.40 C +ATOM 3981 O PHE A 531 4.913 28.565 79.564 1.00 18.01 O +ATOM 3982 CB PHE A 531 1.601 29.160 79.834 1.00 15.25 C +ATOM 3983 CG PHE A 531 1.735 28.594 81.255 1.00 20.27 C +ATOM 3984 CD1 PHE A 531 2.698 29.093 82.150 1.00 21.18 C +ATOM 3985 CD2 PHE A 531 0.912 27.551 81.683 1.00 16.16 C +ATOM 3986 CE1 PHE A 531 2.853 28.559 83.429 1.00 18.38 C +ATOM 3987 CE2 PHE A 531 1.057 27.009 82.974 1.00 15.63 C +ATOM 3988 CZ PHE A 531 2.041 27.524 83.824 1.00 19.00 C +ATOM 3989 N GLU A 532 4.062 30.594 79.067 1.00 17.39 N +ATOM 3990 CA GLU A 532 5.226 31.346 79.447 1.00 20.00 C +ATOM 3991 C GLU A 532 4.803 32.461 80.378 1.00 20.33 C +ATOM 3992 O GLU A 532 3.764 33.070 80.125 1.00 21.77 O +ATOM 3993 CB GLU A 532 5.800 32.029 78.235 1.00 22.09 C +ATOM 3994 CG GLU A 532 6.623 31.154 77.344 1.00 39.73 C +ATOM 3995 CD GLU A 532 7.714 32.018 76.740 1.00 55.99 C +ATOM 3996 OE1 GLU A 532 8.672 32.331 77.505 1.00 71.68 O +ATOM 3997 OE2 GLU A 532 7.581 32.415 75.557 1.00 56.94 O +ATOM 3998 N ILE A 533 5.597 32.767 81.415 1.00 23.32 N +ATOM 3999 CA ILE A 533 5.246 33.869 82.332 1.00 22.84 C +ATOM 4000 C ILE A 533 6.067 35.087 81.849 1.00 24.27 C +ATOM 4001 O ILE A 533 7.265 34.956 81.571 1.00 26.63 O +ATOM 4002 CB ILE A 533 5.653 33.608 83.830 1.00 22.98 C +ATOM 4003 CG1 ILE A 533 5.072 32.348 84.448 1.00 19.78 C +ATOM 4004 CG2 ILE A 533 5.228 34.768 84.725 1.00 27.21 C +ATOM 4005 CD1 ILE A 533 3.618 32.399 84.508 1.00 24.82 C +ATOM 4006 N LYS A 534 5.451 36.248 81.649 1.00 23.18 N +ATOM 4007 CA LYS A 534 6.197 37.422 81.228 1.00 24.08 C +ATOM 4008 C LYS A 534 5.750 38.682 81.915 1.00 28.42 C +ATOM 4009 O LYS A 534 4.614 38.794 82.413 1.00 24.31 O +ATOM 4010 CB LYS A 534 6.038 37.778 79.753 1.00 23.41 C +ATOM 4011 CG LYS A 534 6.899 36.941 78.869 1.00 35.10 C +ATOM 4012 CD LYS A 534 6.731 37.397 77.446 1.00 36.01 C +ATOM 4013 CE LYS A 534 7.682 36.673 76.541 1.00 43.84 C +ATOM 4014 NZ LYS A 534 7.596 35.263 76.956 1.00 40.03 N +ATOM 4015 N SER A 535 6.643 39.636 81.648 1.00 32.18 N +ATOM 4016 CA SER A 535 6.653 41.064 81.976 1.00 39.25 C +ATOM 4017 C SER A 535 7.302 41.486 83.307 1.00 40.90 C +ATOM 4018 O SER A 535 8.291 40.835 83.699 1.00 44.41 O +ATOM 4019 CB SER A 535 5.263 41.701 81.735 1.00 39.64 C +ATOM 4020 OG SER A 535 4.841 41.586 80.388 1.00 29.29 O +ATOM 4021 OXT SER A 535 6.872 42.475 83.943 1.00 54.49 O +TER 4022 SER A 535 +END diff --git a/bench/main_benchmark/structures/SFB_OL_ENGRAILED_1ENHA_2JWTA/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_ENGRAILED_1ENHA_2JWTA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..10fa6fea03cfdb890f37ba68629a5474a857c451 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_ENGRAILED_1ENHA_2JWTA/state_a.pdb @@ -0,0 +1,468 @@ +ATOM 1 N ARG A 3 2.937 44.573 53.291 1.00 62.68 N +ATOM 2 CA ARG A 3 3.220 44.968 51.871 1.00 61.88 C +ATOM 3 C ARG A 3 1.922 45.475 51.229 1.00 62.67 C +ATOM 4 O ARG A 3 0.984 44.702 51.017 1.00 65.49 O +ATOM 5 CB ARG A 3 3.758 43.763 51.101 1.00 58.73 C +ATOM 6 CG ARG A 3 3.642 43.884 49.610 1.00 57.06 C +ATOM 7 CD ARG A 3 3.776 42.528 48.965 1.00 54.58 C +ATOM 8 NE ARG A 3 5.083 42.365 48.340 1.00 56.07 N +ATOM 9 CZ ARG A 3 6.183 41.961 48.980 1.00 57.06 C +ATOM 10 NH1 ARG A 3 6.141 41.670 50.274 1.00 57.63 N +ATOM 11 NH2 ARG A 3 7.335 41.841 48.325 1.00 57.77 N +ATOM 12 N PRO A 4 1.827 46.788 50.963 1.00 62.04 N +ATOM 13 CA PRO A 4 0.601 47.326 50.349 1.00 61.02 C +ATOM 14 C PRO A 4 0.521 46.851 48.907 1.00 58.49 C +ATOM 15 O PRO A 4 1.564 46.660 48.252 1.00 56.51 O +ATOM 16 CB PRO A 4 0.802 48.850 50.418 1.00 62.35 C +ATOM 17 CG PRO A 4 1.857 49.027 51.499 1.00 63.35 C +ATOM 18 CD PRO A 4 2.790 47.863 51.239 1.00 62.27 C +ATOM 19 N ARG A 5 -0.700 46.625 48.432 1.00 53.54 N +ATOM 20 CA ARG A 5 -0.876 46.155 47.073 1.00 52.11 C +ATOM 21 C ARG A 5 -0.338 47.160 46.060 1.00 46.55 C +ATOM 22 O ARG A 5 -0.283 48.353 46.333 1.00 47.54 O +ATOM 23 CB ARG A 5 -2.343 45.814 46.800 1.00 57.06 C +ATOM 24 CG ARG A 5 -2.725 44.413 47.264 1.00 65.13 C +ATOM 25 CD ARG A 5 -4.163 44.032 46.923 1.00 70.89 C +ATOM 26 NE ARG A 5 -4.506 44.214 45.512 1.00 74.60 N +ATOM 27 CZ ARG A 5 -5.581 43.685 44.926 1.00 76.71 C +ATOM 28 NH1 ARG A 5 -6.426 42.912 45.609 1.00 76.81 N +ATOM 29 NH2 ARG A 5 -5.886 44.035 43.681 1.00 78.32 N +ATOM 30 N THR A 6 0.200 46.649 44.963 1.00 38.13 N +ATOM 31 CA THR A 6 0.729 47.485 43.902 1.00 31.25 C +ATOM 32 C THR A 6 -0.440 47.725 42.950 1.00 27.57 C +ATOM 33 O THR A 6 -1.527 47.179 43.151 1.00 27.27 O +ATOM 34 CB THR A 6 1.889 46.758 43.145 1.00 31.32 C +ATOM 35 OG1 THR A 6 2.474 47.642 42.186 1.00 28.13 O +ATOM 36 CG2 THR A 6 1.376 45.508 42.420 1.00 29.77 C +ATOM 37 N ALA A 7 -0.219 48.547 41.927 1.00 23.85 N +ATOM 38 CA ALA A 7 -1.238 48.843 40.925 1.00 19.82 C +ATOM 39 C ALA A 7 -1.026 47.895 39.751 1.00 16.85 C +ATOM 40 O ALA A 7 0.052 47.858 39.152 1.00 15.86 O +ATOM 41 CB ALA A 7 -1.115 50.256 40.474 1.00 19.75 C +ATOM 42 N PHE A 8 -2.062 47.161 39.395 1.00 13.22 N +ATOM 43 CA PHE A 8 -1.937 46.198 38.317 1.00 12.34 C +ATOM 44 C PHE A 8 -2.355 46.824 37.037 1.00 12.36 C +ATOM 45 O PHE A 8 -3.233 47.676 37.038 1.00 14.69 O +ATOM 46 CB PHE A 8 -2.832 45.002 38.579 1.00 14.15 C +ATOM 47 CG PHE A 8 -2.572 44.325 39.902 1.00 20.07 C +ATOM 48 CD1 PHE A 8 -1.647 43.300 40.001 1.00 24.15 C +ATOM 49 CD2 PHE A 8 -3.256 44.729 41.054 1.00 26.34 C +ATOM 50 CE1 PHE A 8 -1.394 42.677 41.197 1.00 23.84 C +ATOM 51 CE2 PHE A 8 -3.008 44.108 42.269 1.00 27.63 C +ATOM 52 CZ PHE A 8 -2.067 43.077 42.336 1.00 27.19 C +ATOM 53 N SER A 9 -1.733 46.417 35.937 1.00 11.03 N +ATOM 54 CA SER A 9 -2.129 46.942 34.656 1.00 9.84 C +ATOM 55 C SER A 9 -3.399 46.213 34.162 1.00 11.10 C +ATOM 56 O SER A 9 -3.808 45.181 34.703 1.00 10.27 O +ATOM 57 CB SER A 9 -0.997 46.778 33.658 1.00 9.35 C +ATOM 58 OG SER A 9 -0.866 45.425 33.246 1.00 11.74 O +ATOM 59 N SER A 10 -4.055 46.806 33.178 1.00 11.41 N +ATOM 60 CA SER A 10 -5.237 46.236 32.549 1.00 11.98 C +ATOM 61 C SER A 10 -4.910 44.868 32.040 1.00 7.45 C +ATOM 62 O SER A 10 -5.706 43.979 32.143 1.00 11.39 O +ATOM 63 CB SER A 10 -5.638 47.075 31.338 1.00 12.98 C +ATOM 64 OG SER A 10 -6.198 48.292 31.768 1.00 21.18 O +ATOM 65 N GLU A 11 -3.780 44.737 31.378 1.00 5.40 N +ATOM 66 CA GLU A 11 -3.387 43.458 30.860 1.00 5.99 C +ATOM 67 C GLU A 11 -3.063 42.458 31.977 1.00 10.91 C +ATOM 68 O GLU A 11 -3.379 41.268 31.868 1.00 12.07 O +ATOM 69 CB GLU A 11 -2.223 43.644 29.931 1.00 5.78 C +ATOM 70 CG GLU A 11 -2.626 44.415 28.731 1.00 12.26 C +ATOM 71 CD GLU A 11 -1.474 44.745 27.847 1.00 14.31 C +ATOM 72 OE1 GLU A 11 -0.826 43.811 27.329 1.00 18.44 O +ATOM 73 OE2 GLU A 11 -1.220 45.956 27.684 1.00 21.03 O +ATOM 74 N GLN A 12 -2.438 42.922 33.055 1.00 11.18 N +ATOM 75 CA GLN A 12 -2.141 42.023 34.153 1.00 9.76 C +ATOM 76 C GLN A 12 -3.449 41.558 34.788 1.00 10.58 C +ATOM 77 O GLN A 12 -3.614 40.369 35.051 1.00 11.78 O +ATOM 78 CB GLN A 12 -1.247 42.675 35.179 1.00 9.61 C +ATOM 79 CG GLN A 12 0.168 42.844 34.695 1.00 11.59 C +ATOM 80 CD GLN A 12 0.970 43.743 35.627 1.00 13.63 C +ATOM 81 OE1 GLN A 12 0.431 44.665 36.241 1.00 10.09 O +ATOM 82 NE2 GLN A 12 2.246 43.457 35.757 1.00 10.28 N +ATOM 83 N LEU A 13 -4.399 42.461 34.985 1.00 8.54 N +ATOM 84 CA LEU A 13 -5.653 42.055 35.596 1.00 11.04 C +ATOM 85 C LEU A 13 -6.419 41.059 34.725 1.00 12.22 C +ATOM 86 O LEU A 13 -7.033 40.121 35.241 1.00 10.68 O +ATOM 87 CB LEU A 13 -6.532 43.264 35.900 1.00 13.02 C +ATOM 88 CG LEU A 13 -6.112 44.044 37.128 1.00 16.76 C +ATOM 89 CD1 LEU A 13 -6.741 45.399 37.086 1.00 15.29 C +ATOM 90 CD2 LEU A 13 -6.535 43.257 38.378 1.00 18.36 C +ATOM 91 N ALA A 14 -6.356 41.256 33.408 1.00 10.93 N +ATOM 92 CA ALA A 14 -7.063 40.389 32.480 1.00 11.36 C +ATOM 93 C ALA A 14 -6.494 38.986 32.578 1.00 10.22 C +ATOM 94 O ALA A 14 -7.220 37.995 32.524 1.00 11.17 O +ATOM 95 CB ALA A 14 -6.931 40.913 31.061 1.00 5.13 C +ATOM 96 N ARG A 15 -5.180 38.901 32.691 1.00 8.49 N +ATOM 97 CA ARG A 15 -4.554 37.610 32.777 1.00 6.96 C +ATOM 98 C ARG A 15 -4.877 36.916 34.095 1.00 9.92 C +ATOM 99 O ARG A 15 -5.133 35.704 34.125 1.00 9.28 O +ATOM 100 CB ARG A 15 -3.065 37.761 32.625 1.00 9.68 C +ATOM 101 CG ARG A 15 -2.351 36.431 32.731 1.00 18.24 C +ATOM 102 CD ARG A 15 -2.686 35.440 31.584 1.00 21.47 C +ATOM 103 NE ARG A 15 -2.020 34.162 31.857 1.00 23.41 N +ATOM 104 CZ ARG A 15 -0.695 33.957 31.817 1.00 29.10 C +ATOM 105 NH1 ARG A 15 0.176 34.925 31.489 1.00 24.59 N +ATOM 106 NH2 ARG A 15 -0.222 32.766 32.159 1.00 30.15 N +ATOM 107 N LEU A 16 -4.895 37.709 35.175 1.00 9.38 N +ATOM 108 CA LEU A 16 -5.169 37.245 36.531 1.00 8.74 C +ATOM 109 C LEU A 16 -6.579 36.725 36.651 1.00 11.12 C +ATOM 110 O LEU A 16 -6.805 35.702 37.294 1.00 13.21 O +ATOM 111 CB LEU A 16 -4.950 38.373 37.557 1.00 9.21 C +ATOM 112 CG LEU A 16 -3.504 38.675 37.968 1.00 8.43 C +ATOM 113 CD1 LEU A 16 -3.446 39.847 38.931 1.00 5.38 C +ATOM 114 CD2 LEU A 16 -2.961 37.434 38.619 1.00 10.51 C +ATOM 115 N LYS A 17 -7.534 37.420 36.045 1.00 8.80 N +ATOM 116 CA LYS A 17 -8.922 36.990 36.106 1.00 11.17 C +ATOM 117 C LYS A 17 -9.175 35.698 35.338 1.00 10.34 C +ATOM 118 O LYS A 17 -9.997 34.873 35.720 1.00 8.24 O +ATOM 119 CB LYS A 17 -9.838 38.101 35.604 1.00 13.39 C +ATOM 120 CG LYS A 17 -9.816 39.273 36.528 1.00 18.31 C +ATOM 121 CD LYS A 17 -10.814 40.319 36.140 1.00 25.74 C +ATOM 122 CE LYS A 17 -10.761 41.432 37.182 1.00 30.81 C +ATOM 123 NZ LYS A 17 -11.980 42.292 37.133 1.00 36.62 N +ATOM 124 N ARG A 18 -8.443 35.537 34.255 1.00 9.58 N +ATOM 125 CA ARG A 18 -8.535 34.400 33.405 1.00 11.05 C +ATOM 126 C ARG A 18 -7.962 33.189 34.147 1.00 11.00 C +ATOM 127 O ARG A 18 -8.541 32.114 34.126 1.00 11.42 O +ATOM 128 CB ARG A 18 -7.725 34.738 32.191 1.00 17.35 C +ATOM 129 CG ARG A 18 -7.969 33.875 31.053 1.00 29.77 C +ATOM 130 CD ARG A 18 -7.196 34.430 29.880 1.00 40.53 C +ATOM 131 NE ARG A 18 -7.440 33.654 28.669 1.00 48.67 N +ATOM 132 CZ ARG A 18 -8.393 33.923 27.778 1.00 49.89 C +ATOM 133 NH1 ARG A 18 -9.220 34.960 27.946 1.00 51.23 N +ATOM 134 NH2 ARG A 18 -8.494 33.169 26.691 1.00 51.74 N +ATOM 135 N GLU A 19 -6.837 33.380 34.832 1.00 9.59 N +ATOM 136 CA GLU A 19 -6.178 32.330 35.601 1.00 8.16 C +ATOM 137 C GLU A 19 -7.053 31.907 36.772 1.00 8.30 C +ATOM 138 O GLU A 19 -7.148 30.733 37.091 1.00 9.81 O +ATOM 139 CB GLU A 19 -4.851 32.837 36.157 1.00 9.15 C +ATOM 140 CG GLU A 19 -3.794 33.041 35.149 1.00 14.44 C +ATOM 141 CD GLU A 19 -3.276 31.726 34.587 1.00 19.76 C +ATOM 142 OE1 GLU A 19 -3.523 30.647 35.180 1.00 23.05 O +ATOM 143 OE2 GLU A 19 -2.605 31.763 33.539 1.00 26.05 O +ATOM 144 N PHE A 20 -7.672 32.886 37.413 1.00 7.33 N +ATOM 145 CA PHE A 20 -8.547 32.671 38.559 1.00 11.03 C +ATOM 146 C PHE A 20 -9.730 31.796 38.154 1.00 12.50 C +ATOM 147 O PHE A 20 -10.144 30.905 38.902 1.00 12.95 O +ATOM 148 CB PHE A 20 -9.039 34.023 39.102 1.00 7.13 C +ATOM 149 CG PHE A 20 -9.864 33.902 40.347 1.00 10.02 C +ATOM 150 CD1 PHE A 20 -9.253 33.819 41.590 1.00 10.02 C +ATOM 151 CD2 PHE A 20 -11.261 33.840 40.274 1.00 11.24 C +ATOM 152 CE1 PHE A 20 -10.021 33.674 42.733 1.00 9.94 C +ATOM 153 CE2 PHE A 20 -12.042 33.695 41.418 1.00 8.23 C +ATOM 154 CZ PHE A 20 -11.439 33.609 42.639 1.00 8.17 C +ATOM 155 N ASN A 21 -10.239 32.056 36.954 1.00 14.27 N +ATOM 156 CA ASN A 21 -11.344 31.338 36.361 1.00 17.30 C +ATOM 157 C ASN A 21 -10.965 29.883 36.103 1.00 15.29 C +ATOM 158 O ASN A 21 -11.813 28.999 36.063 1.00 15.66 O +ATOM 159 CB ASN A 21 -11.735 32.039 35.051 1.00 25.43 C +ATOM 160 CG ASN A 21 -12.765 31.248 34.220 1.00 36.92 C +ATOM 161 OD1 ASN A 21 -12.522 30.898 33.052 1.00 41.30 O +ATOM 162 ND2 ASN A 21 -13.924 30.973 34.819 1.00 42.42 N +ATOM 163 N GLU A 22 -9.694 29.637 35.867 1.00 14.77 N +ATOM 164 CA GLU A 22 -9.249 28.290 35.616 1.00 16.69 C +ATOM 165 C GLU A 22 -9.096 27.506 36.906 1.00 17.92 C +ATOM 166 O GLU A 22 -9.514 26.339 36.997 1.00 17.03 O +ATOM 167 CB GLU A 22 -7.926 28.279 34.852 1.00 19.66 C +ATOM 168 CG GLU A 22 -8.053 28.767 33.436 1.00 26.64 C +ATOM 169 CD GLU A 22 -9.175 28.065 32.683 1.00 30.79 C +ATOM 170 OE1 GLU A 22 -9.074 26.832 32.475 1.00 32.08 O +ATOM 171 OE2 GLU A 22 -10.180 28.737 32.336 1.00 30.65 O +ATOM 172 N ASN A 23 -8.460 28.130 37.893 1.00 15.36 N +ATOM 173 CA ASN A 23 -8.217 27.490 39.178 1.00 12.68 C +ATOM 174 C ASN A 23 -8.042 28.618 40.171 1.00 13.52 C +ATOM 175 O ASN A 23 -7.168 29.478 40.005 1.00 14.07 O +ATOM 176 CB ASN A 23 -6.955 26.636 39.080 1.00 9.83 C +ATOM 177 CG ASN A 23 -6.702 25.866 40.329 1.00 9.53 C +ATOM 178 OD1 ASN A 23 -7.448 25.990 41.291 1.00 6.58 O +ATOM 179 ND2 ASN A 23 -5.635 25.078 40.341 1.00 7.91 N +ATOM 180 N ARG A 24 -8.880 28.657 41.190 1.00 11.06 N +ATOM 181 CA ARG A 24 -8.776 29.764 42.097 1.00 14.07 C +ATOM 182 C ARG A 24 -7.789 29.623 43.246 1.00 11.74 C +ATOM 183 O ARG A 24 -7.626 30.524 44.043 1.00 11.21 O +ATOM 184 CB ARG A 24 -10.135 30.138 42.578 1.00 20.48 C +ATOM 185 CG ARG A 24 -10.808 29.045 43.274 1.00 28.25 C +ATOM 186 CD ARG A 24 -12.140 29.521 43.711 1.00 35.50 C +ATOM 187 NE ARG A 24 -12.917 30.001 42.573 1.00 40.94 N +ATOM 188 CZ ARG A 24 -14.177 30.404 42.679 1.00 46.39 C +ATOM 189 NH1 ARG A 24 -14.782 30.376 43.866 1.00 49.88 N +ATOM 190 NH2 ARG A 24 -14.827 30.851 41.613 1.00 50.41 N +ATOM 191 N TYR A 25 -7.138 28.474 43.324 1.00 12.92 N +ATOM 192 CA TYR A 25 -6.127 28.218 44.329 1.00 10.35 C +ATOM 193 C TYR A 25 -4.848 28.139 43.525 1.00 11.32 C +ATOM 194 O TYR A 25 -4.774 27.543 42.462 1.00 14.60 O +ATOM 195 CB TYR A 25 -6.407 26.931 45.104 1.00 7.28 C +ATOM 196 CG TYR A 25 -7.689 27.011 45.924 1.00 5.86 C +ATOM 197 CD1 TYR A 25 -7.718 27.687 47.152 1.00 7.19 C +ATOM 198 CD2 TYR A 25 -8.877 26.459 45.441 1.00 7.55 C +ATOM 199 CE1 TYR A 25 -8.892 27.815 47.845 1.00 5.09 C +ATOM 200 CE2 TYR A 25 -10.057 26.571 46.137 1.00 6.87 C +ATOM 201 CZ TYR A 25 -10.048 27.256 47.320 1.00 9.47 C +ATOM 202 OH TYR A 25 -11.223 27.445 47.945 1.00 13.89 O +ATOM 203 N LEU A 26 -3.833 28.757 44.070 1.00 15.51 N +ATOM 204 CA LEU A 26 -2.544 28.888 43.445 1.00 19.28 C +ATOM 205 C LEU A 26 -1.394 28.042 44.027 1.00 21.13 C +ATOM 206 O LEU A 26 -0.925 28.305 45.134 1.00 29.38 O +ATOM 207 CB LEU A 26 -2.210 30.368 43.602 1.00 17.11 C +ATOM 208 CG LEU A 26 -1.293 31.091 42.670 1.00 18.28 C +ATOM 209 CD1 LEU A 26 -1.880 31.052 41.256 1.00 17.37 C +ATOM 210 CD2 LEU A 26 -1.185 32.495 43.233 1.00 17.29 C +ATOM 211 N THR A 27 -0.902 27.050 43.306 1.00 18.39 N +ATOM 212 CA THR A 27 0.233 26.327 43.835 1.00 15.66 C +ATOM 213 C THR A 27 1.457 27.273 43.799 1.00 18.90 C +ATOM 214 O THR A 27 1.474 28.269 43.058 1.00 15.14 O +ATOM 215 CB THR A 27 0.524 25.092 43.014 1.00 16.40 C +ATOM 216 OG1 THR A 27 0.963 25.472 41.700 1.00 20.66 O +ATOM 217 CG2 THR A 27 -0.740 24.247 42.902 1.00 20.40 C +ATOM 218 N GLU A 28 2.455 26.992 44.632 1.00 19.88 N +ATOM 219 CA GLU A 28 3.672 27.787 44.682 1.00 21.11 C +ATOM 220 C GLU A 28 4.315 27.859 43.321 1.00 18.96 C +ATOM 221 O GLU A 28 4.764 28.908 42.902 1.00 20.71 O +ATOM 222 CB GLU A 28 4.674 27.181 45.652 1.00 21.32 C +ATOM 223 CG GLU A 28 4.503 27.599 47.065 1.00 26.42 C +ATOM 224 CD GLU A 28 5.531 26.934 47.949 1.00 28.48 C +ATOM 225 OE1 GLU A 28 5.311 25.766 48.328 1.00 30.65 O +ATOM 226 OE2 GLU A 28 6.567 27.568 48.234 1.00 31.15 O +ATOM 227 N ARG A 29 4.375 26.740 42.629 1.00 18.60 N +ATOM 228 CA ARG A 29 4.979 26.732 41.314 1.00 22.75 C +ATOM 229 C ARG A 29 4.238 27.599 40.292 1.00 22.33 C +ATOM 230 O ARG A 29 4.867 28.250 39.465 1.00 22.45 O +ATOM 231 CB ARG A 29 5.112 25.302 40.793 1.00 30.48 C +ATOM 232 CG ARG A 29 5.984 25.186 39.528 1.00 43.21 C +ATOM 233 CD ARG A 29 6.598 23.784 39.387 1.00 52.71 C +ATOM 234 NE ARG A 29 7.355 23.400 40.587 1.00 61.22 N +ATOM 235 CZ ARG A 29 7.236 22.232 41.228 1.00 64.27 C +ATOM 236 NH1 ARG A 29 6.392 21.295 40.786 1.00 66.79 N +ATOM 237 NH2 ARG A 29 7.930 22.018 42.348 1.00 66.64 N +ATOM 238 N ARG A 30 2.909 27.562 40.292 1.00 20.62 N +ATOM 239 CA ARG A 30 2.151 28.370 39.337 1.00 17.50 C +ATOM 240 C ARG A 30 2.318 29.851 39.676 1.00 15.79 C +ATOM 241 O ARG A 30 2.405 30.697 38.784 1.00 17.68 O +ATOM 242 CB ARG A 30 0.651 27.980 39.308 1.00 18.00 C +ATOM 243 CG ARG A 30 -0.184 28.866 38.362 1.00 19.30 C +ATOM 244 CD ARG A 30 -1.493 28.211 37.909 1.00 22.46 C +ATOM 245 NE ARG A 30 -2.490 28.160 38.962 1.00 26.63 N +ATOM 246 CZ ARG A 30 -3.682 28.751 38.897 1.00 23.53 C +ATOM 247 NH1 ARG A 30 -4.054 29.434 37.817 1.00 23.99 N +ATOM 248 NH2 ARG A 30 -4.454 28.760 39.967 1.00 25.01 N +ATOM 249 N ARG A 31 2.374 30.159 40.968 1.00 13.09 N +ATOM 250 CA ARG A 31 2.532 31.528 41.413 1.00 14.26 C +ATOM 251 C ARG A 31 3.877 32.038 40.927 1.00 15.86 C +ATOM 252 O ARG A 31 4.004 33.198 40.567 1.00 17.26 O +ATOM 253 CB ARG A 31 2.454 31.593 42.936 1.00 13.00 C +ATOM 254 CG ARG A 31 2.444 32.986 43.494 1.00 16.27 C +ATOM 255 CD ARG A 31 2.275 32.962 45.007 1.00 18.28 C +ATOM 256 NE ARG A 31 3.513 32.545 45.653 1.00 23.92 N +ATOM 257 CZ ARG A 31 3.588 31.829 46.774 1.00 24.85 C +ATOM 258 NH1 ARG A 31 2.495 31.430 47.395 1.00 25.03 N +ATOM 259 NH2 ARG A 31 4.774 31.516 47.285 1.00 27.73 N +ATOM 260 N GLN A 32 4.879 31.162 40.906 1.00 18.39 N +ATOM 261 CA GLN A 32 6.211 31.536 40.475 1.00 20.59 C +ATOM 262 C GLN A 32 6.205 31.730 38.959 1.00 20.54 C +ATOM 263 O GLN A 32 6.816 32.661 38.448 1.00 20.38 O +ATOM 264 CB GLN A 32 7.235 30.465 40.871 1.00 26.78 C +ATOM 265 CG GLN A 32 8.682 30.971 40.984 1.00 42.25 C +ATOM 266 CD GLN A 32 9.183 31.736 39.728 1.00 50.59 C +ATOM 267 OE1 GLN A 32 9.366 32.979 39.743 1.00 54.24 O +ATOM 268 NE2 GLN A 32 9.392 30.992 38.633 1.00 54.83 N +ATOM 269 N GLN A 33 5.516 30.869 38.232 1.00 16.91 N +ATOM 270 CA GLN A 33 5.471 31.020 36.797 1.00 17.86 C +ATOM 271 C GLN A 33 4.677 32.252 36.431 1.00 17.27 C +ATOM 272 O GLN A 33 4.980 32.893 35.430 1.00 17.67 O +ATOM 273 CB GLN A 33 4.838 29.808 36.121 1.00 22.86 C +ATOM 274 CG GLN A 33 5.711 28.541 36.109 1.00 37.29 C +ATOM 275 CD GLN A 33 4.970 27.313 35.534 1.00 44.33 C +ATOM 276 OE1 GLN A 33 3.852 27.437 34.994 1.00 47.19 O +ATOM 277 NE2 GLN A 33 5.592 26.121 35.644 1.00 46.08 N +ATOM 278 N LEU A 34 3.648 32.572 37.217 1.00 12.70 N +ATOM 279 CA LEU A 34 2.821 33.735 36.921 1.00 13.11 C +ATOM 280 C LEU A 34 3.601 35.014 37.237 1.00 13.51 C +ATOM 281 O LEU A 34 3.468 36.031 36.561 1.00 11.90 O +ATOM 282 CB LEU A 34 1.486 33.690 37.682 1.00 13.02 C +ATOM 283 CG LEU A 34 0.346 32.825 37.122 1.00 15.72 C +ATOM 284 CD1 LEU A 34 -0.879 32.916 38.027 1.00 14.19 C +ATOM 285 CD2 LEU A 34 -0.014 33.297 35.728 1.00 16.97 C +ATOM 286 N SER A 35 4.448 34.946 38.249 1.00 13.75 N +ATOM 287 CA SER A 35 5.272 36.084 38.611 1.00 17.00 C +ATOM 288 C SER A 35 6.207 36.398 37.431 1.00 16.83 C +ATOM 289 O SER A 35 6.291 37.549 37.008 1.00 19.96 O +ATOM 290 CB SER A 35 6.058 35.751 39.879 1.00 16.10 C +ATOM 291 OG SER A 35 7.036 36.726 40.156 1.00 21.32 O +ATOM 292 N SER A 36 6.884 35.375 36.893 1.00 18.54 N +ATOM 293 CA SER A 36 7.790 35.512 35.739 1.00 20.15 C +ATOM 294 C SER A 36 7.115 36.085 34.518 1.00 20.05 C +ATOM 295 O SER A 36 7.654 36.975 33.857 1.00 21.52 O +ATOM 296 CB SER A 36 8.378 34.167 35.321 1.00 21.17 C +ATOM 297 OG SER A 36 9.466 33.819 36.147 1.00 35.04 O +ATOM 298 N GLU A 37 5.982 35.498 34.171 1.00 18.13 N +ATOM 299 CA GLU A 37 5.232 35.943 33.030 1.00 19.14 C +ATOM 300 C GLU A 37 4.613 37.316 33.144 1.00 19.95 C +ATOM 301 O GLU A 37 4.548 38.022 32.153 1.00 21.96 O +ATOM 302 CB GLU A 37 4.118 34.991 32.748 1.00 19.75 C +ATOM 303 CG GLU A 37 4.598 33.725 32.201 1.00 32.33 C +ATOM 304 CD GLU A 37 3.457 32.879 31.758 1.00 36.44 C +ATOM 305 OE1 GLU A 37 2.590 33.386 31.005 1.00 40.30 O +ATOM 306 OE2 GLU A 37 3.414 31.718 32.201 1.00 42.62 O +ATOM 307 N LEU A 38 4.130 37.702 34.319 1.00 15.99 N +ATOM 308 CA LEU A 38 3.463 38.990 34.431 1.00 12.39 C +ATOM 309 C LEU A 38 4.317 40.134 34.910 1.00 11.26 C +ATOM 310 O LEU A 38 3.906 41.277 34.790 1.00 12.29 O +ATOM 311 CB LEU A 38 2.229 38.879 35.332 1.00 12.34 C +ATOM 312 CG LEU A 38 1.070 37.976 34.898 1.00 15.99 C +ATOM 313 CD1 LEU A 38 0.020 37.946 35.962 1.00 15.20 C +ATOM 314 CD2 LEU A 38 0.468 38.491 33.639 1.00 16.62 C +ATOM 315 N GLY A 39 5.478 39.842 35.478 1.00 13.50 N +ATOM 316 CA GLY A 39 6.343 40.900 35.994 1.00 12.21 C +ATOM 317 C GLY A 39 5.897 41.429 37.359 1.00 12.24 C +ATOM 318 O GLY A 39 6.219 42.547 37.738 1.00 11.54 O +ATOM 319 N LEU A 40 5.171 40.611 38.107 1.00 8.48 N +ATOM 320 CA LEU A 40 4.659 41.001 39.412 1.00 11.88 C +ATOM 321 C LEU A 40 5.339 40.160 40.470 1.00 13.62 C +ATOM 322 O LEU A 40 5.677 39.018 40.212 1.00 15.55 O +ATOM 323 CB LEU A 40 3.172 40.686 39.506 1.00 11.32 C +ATOM 324 CG LEU A 40 2.142 41.588 38.899 1.00 9.18 C +ATOM 325 CD1 LEU A 40 0.820 40.845 38.744 1.00 9.74 C +ATOM 326 CD2 LEU A 40 2.016 42.723 39.847 1.00 11.10 C +ATOM 327 N ASN A 41 5.467 40.701 41.677 1.00 15.03 N +ATOM 328 CA ASN A 41 6.076 39.982 42.795 1.00 15.81 C +ATOM 329 C ASN A 41 5.116 38.848 43.172 1.00 14.25 C +ATOM 330 O ASN A 41 3.920 39.067 43.227 1.00 11.62 O +ATOM 331 CB ASN A 41 6.196 40.909 43.987 1.00 17.26 C +ATOM 332 CG ASN A 41 7.102 40.361 45.042 1.00 21.51 C +ATOM 333 OD1 ASN A 41 6.807 39.348 45.675 1.00 22.02 O +ATOM 334 ND2 ASN A 41 8.237 41.019 45.230 1.00 26.82 N +ATOM 335 N GLU A 42 5.639 37.659 43.479 1.00 17.60 N +ATOM 336 CA GLU A 42 4.803 36.516 43.850 1.00 15.11 C +ATOM 337 C GLU A 42 3.880 36.882 44.957 1.00 15.18 C +ATOM 338 O GLU A 42 2.757 36.409 44.993 1.00 17.24 O +ATOM 339 CB GLU A 42 5.633 35.342 44.315 1.00 17.02 C +ATOM 340 CG GLU A 42 6.426 34.698 43.228 1.00 22.10 C +ATOM 341 CD GLU A 42 7.219 33.503 43.717 1.00 26.14 C +ATOM 342 OE1 GLU A 42 6.758 32.842 44.676 1.00 30.86 O +ATOM 343 OE2 GLU A 42 8.294 33.216 43.132 1.00 30.69 O +ATOM 344 N ALA A 43 4.338 37.750 45.856 1.00 15.88 N +ATOM 345 CA ALA A 43 3.512 38.178 46.982 1.00 14.07 C +ATOM 346 C ALA A 43 2.311 38.981 46.555 1.00 15.98 C +ATOM 347 O ALA A 43 1.276 38.919 47.207 1.00 17.49 O +ATOM 348 CB ALA A 43 4.320 38.966 47.973 1.00 17.26 C +ATOM 349 N GLN A 44 2.429 39.732 45.460 1.00 14.55 N +ATOM 350 CA GLN A 44 1.290 40.510 44.996 1.00 14.26 C +ATOM 351 C GLN A 44 0.198 39.641 44.386 1.00 11.18 C +ATOM 352 O GLN A 44 -0.985 39.968 44.449 1.00 12.68 O +ATOM 353 CB GLN A 44 1.754 41.533 43.980 1.00 15.66 C +ATOM 354 CG GLN A 44 2.683 42.560 44.575 1.00 18.22 C +ATOM 355 CD GLN A 44 1.957 43.487 45.503 1.00 18.31 C +ATOM 356 OE1 GLN A 44 0.785 43.775 45.317 1.00 18.22 O +ATOM 357 NE2 GLN A 44 2.656 43.975 46.503 1.00 22.98 N +ATOM 358 N ILE A 45 0.616 38.534 43.789 1.00 11.58 N +ATOM 359 CA ILE A 45 -0.291 37.599 43.135 1.00 12.71 C +ATOM 360 C ILE A 45 -1.064 36.834 44.197 1.00 12.88 C +ATOM 361 O ILE A 45 -2.288 36.668 44.094 1.00 12.49 O +ATOM 362 CB ILE A 45 0.491 36.636 42.190 1.00 11.70 C +ATOM 363 CG1 ILE A 45 1.217 37.475 41.132 1.00 11.62 C +ATOM 364 CG2 ILE A 45 -0.475 35.624 41.514 1.00 12.48 C +ATOM 365 CD1 ILE A 45 2.060 36.714 40.160 1.00 9.50 C +ATOM 366 N LYS A 46 -0.341 36.396 45.224 1.00 14.11 N +ATOM 367 CA LYS A 46 -0.930 35.668 46.346 1.00 16.59 C +ATOM 368 C LYS A 46 -2.050 36.476 47.017 1.00 17.18 C +ATOM 369 O LYS A 46 -3.144 35.953 47.254 1.00 18.54 O +ATOM 370 CB LYS A 46 0.156 35.295 47.353 1.00 15.98 C +ATOM 371 CG LYS A 46 -0.369 34.753 48.634 1.00 19.49 C +ATOM 372 CD LYS A 46 0.741 34.095 49.369 1.00 25.84 C +ATOM 373 CE LYS A 46 0.224 33.450 50.652 1.00 32.32 C +ATOM 374 NZ LYS A 46 1.167 32.360 51.128 1.00 36.42 N +ATOM 375 N ILE A 47 -1.769 37.741 47.327 1.00 16.47 N +ATOM 376 CA ILE A 47 -2.741 38.634 47.933 1.00 15.92 C +ATOM 377 C ILE A 47 -3.903 38.868 46.972 1.00 16.47 C +ATOM 378 O ILE A 47 -5.057 38.878 47.386 1.00 17.79 O +ATOM 379 CB ILE A 47 -2.096 39.994 48.274 1.00 19.96 C +ATOM 380 CG1 ILE A 47 -1.136 39.823 49.447 1.00 22.65 C +ATOM 381 CG2 ILE A 47 -3.154 41.036 48.590 1.00 19.84 C +ATOM 382 CD1 ILE A 47 -0.143 40.963 49.572 1.00 28.10 C +ATOM 383 N TRP A 48 -3.616 39.076 45.689 1.00 17.22 N +ATOM 384 CA TRP A 48 -4.694 39.278 44.741 1.00 14.11 C +ATOM 385 C TRP A 48 -5.610 38.042 44.749 1.00 12.39 C +ATOM 386 O TRP A 48 -6.829 38.166 44.802 1.00 11.87 O +ATOM 387 CB TRP A 48 -4.144 39.542 43.351 1.00 13.10 C +ATOM 388 CG TRP A 48 -5.235 39.912 42.424 1.00 11.71 C +ATOM 389 CD1 TRP A 48 -5.760 41.149 42.234 1.00 12.35 C +ATOM 390 CD2 TRP A 48 -6.005 39.015 41.609 1.00 11.40 C +ATOM 391 NE1 TRP A 48 -6.823 41.082 41.352 1.00 13.08 N +ATOM 392 CE2 TRP A 48 -6.991 39.784 40.958 1.00 12.72 C +ATOM 393 CE3 TRP A 48 -5.961 37.641 41.376 1.00 9.63 C +ATOM 394 CZ2 TRP A 48 -7.913 39.221 40.089 1.00 12.08 C +ATOM 395 CZ3 TRP A 48 -6.868 37.090 40.530 1.00 8.66 C +ATOM 396 CH2 TRP A 48 -7.838 37.873 39.892 1.00 12.85 C +ATOM 397 N PHE A 49 -5.029 36.849 44.720 1.00 12.87 N +ATOM 398 CA PHE A 49 -5.827 35.610 44.759 1.00 16.55 C +ATOM 399 C PHE A 49 -6.667 35.494 46.068 1.00 18.39 C +ATOM 400 O PHE A 49 -7.889 35.274 46.015 1.00 18.45 O +ATOM 401 CB PHE A 49 -4.938 34.353 44.538 1.00 14.96 C +ATOM 402 CG PHE A 49 -4.912 33.850 43.088 1.00 14.56 C +ATOM 403 CD1 PHE A 49 -4.118 34.477 42.121 1.00 14.90 C +ATOM 404 CD2 PHE A 49 -5.714 32.782 42.692 1.00 12.09 C +ATOM 405 CE1 PHE A 49 -4.127 34.051 40.790 1.00 12.16 C +ATOM 406 CE2 PHE A 49 -5.727 32.354 41.364 1.00 12.56 C +ATOM 407 CZ PHE A 49 -4.928 32.997 40.415 1.00 12.30 C +ATOM 408 N GLN A 50 -6.049 35.739 47.224 1.00 18.46 N +ATOM 409 CA GLN A 50 -6.770 35.646 48.489 1.00 21.86 C +ATOM 410 C GLN A 50 -7.915 36.613 48.573 1.00 21.36 C +ATOM 411 O GLN A 50 -8.974 36.244 49.046 1.00 23.16 O +ATOM 412 CB GLN A 50 -5.853 35.867 49.677 1.00 23.60 C +ATOM 413 CG GLN A 50 -4.724 34.881 49.736 1.00 31.50 C +ATOM 414 CD GLN A 50 -3.687 35.234 50.791 1.00 35.33 C +ATOM 415 OE1 GLN A 50 -2.771 34.450 51.052 1.00 40.02 O +ATOM 416 NE2 GLN A 50 -3.793 36.430 51.368 1.00 35.13 N +ATOM 417 N ASN A 51 -7.724 37.841 48.095 1.00 21.45 N +ATOM 418 CA ASN A 51 -8.788 38.854 48.153 1.00 21.92 C +ATOM 419 C ASN A 51 -9.894 38.531 47.181 1.00 21.20 C +ATOM 420 O ASN A 51 -11.065 38.798 47.423 1.00 23.75 O +ATOM 421 CB ASN A 51 -8.255 40.263 47.838 1.00 25.14 C +ATOM 422 CG ASN A 51 -7.285 40.806 48.916 1.00 33.57 C +ATOM 423 OD1 ASN A 51 -6.346 41.550 48.599 1.00 37.84 O +ATOM 424 ND2 ASN A 51 -7.510 40.441 50.187 1.00 35.67 N +ATOM 425 N LYS A 52 -9.513 37.989 46.045 1.00 19.48 N +ATOM 426 CA LYS A 52 -10.473 37.648 45.026 1.00 19.78 C +ATOM 427 C LYS A 52 -11.410 36.544 45.513 1.00 20.09 C +ATOM 428 O LYS A 52 -12.587 36.541 45.168 1.00 21.13 O +ATOM 429 CB LYS A 52 -9.727 37.209 43.773 1.00 18.77 C +ATOM 430 CG LYS A 52 -10.551 37.288 42.568 1.00 20.37 C +ATOM 431 CD LYS A 52 -10.939 38.716 42.349 1.00 25.84 C +ATOM 432 CE LYS A 52 -12.236 38.774 41.607 1.00 27.61 C +ATOM 433 NZ LYS A 52 -12.152 37.928 40.401 1.00 28.52 N +ATOM 434 N ARG A 53 -10.874 35.595 46.281 1.00 19.89 N +ATOM 435 CA ARG A 53 -11.664 34.481 46.814 1.00 22.76 C +ATOM 436 C ARG A 53 -12.572 34.961 47.923 1.00 27.34 C +ATOM 437 O ARG A 53 -13.628 34.373 48.166 1.00 27.40 O +ATOM 438 CB ARG A 53 -10.770 33.381 47.369 1.00 18.39 C +ATOM 439 CG ARG A 53 -10.105 32.555 46.321 1.00 14.12 C +ATOM 440 CD ARG A 53 -9.577 31.257 46.912 1.00 14.36 C +ATOM 441 NE ARG A 53 -8.588 31.467 47.968 1.00 11.48 N +ATOM 442 CZ ARG A 53 -7.268 31.530 47.785 1.00 10.73 C +ATOM 443 NH1 ARG A 53 -6.727 31.408 46.594 1.00 12.17 N +ATOM 444 NH2 ARG A 53 -6.475 31.703 48.820 1.00 14.24 N +ATOM 445 N ALA A 54 -12.117 35.992 48.636 1.00 30.83 N +ATOM 446 CA ALA A 54 -12.901 36.573 49.724 1.00 36.18 C +ATOM 447 C ALA A 54 -14.088 37.342 49.148 1.00 38.94 C +ATOM 448 O ALA A 54 -15.183 37.252 49.669 1.00 41.15 O +ATOM 449 CB ALA A 54 -12.035 37.476 50.600 1.00 34.30 C +ATOM 450 N LYS A 55 -13.864 38.109 48.086 1.00 41.74 N +ATOM 451 CA LYS A 55 -14.935 38.858 47.444 1.00 44.89 C +ATOM 452 C LYS A 55 -15.957 37.888 46.881 1.00 47.30 C +ATOM 453 O LYS A 55 -17.151 38.146 46.895 1.00 49.20 O +ATOM 454 CB LYS A 55 -14.383 39.691 46.293 1.00 47.63 C +ATOM 455 CG LYS A 55 -13.531 40.858 46.739 1.00 54.87 C +ATOM 456 CD LYS A 55 -12.939 41.626 45.534 1.00 60.59 C +ATOM 457 CE LYS A 55 -11.660 40.971 44.977 1.00 61.54 C +ATOM 458 NZ LYS A 55 -11.019 41.772 43.879 1.00 64.89 N +ATOM 459 N ILE A 56 -15.449 36.806 46.312 1.00 51.41 N +ATOM 460 CA ILE A 56 -16.251 35.744 45.710 1.00 52.89 C +ATOM 461 C ILE A 56 -17.109 35.023 46.768 1.00 54.89 C +ATOM 462 O ILE A 56 -18.354 35.185 46.738 1.00 55.74 O +ATOM 463 CB ILE A 56 -15.293 34.740 44.955 1.00 52.16 C +ATOM 464 CG1 ILE A 56 -15.588 34.749 43.449 1.00 52.33 C +ATOM 465 CG2 ILE A 56 -15.310 33.345 45.585 1.00 51.95 C +ATOM 466 CD1 ILE A 56 -15.152 36.037 42.743 1.00 49.50 C +TER 467 ILE A 56 +END diff --git a/bench/main_benchmark/structures/SFB_OL_ENGRAILED_1ENHA_2JWTA/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_ENGRAILED_1ENHA_2JWTA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..d4852e1e34d344f0f01056f447b07a27f3128061 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_ENGRAILED_1ENHA_2JWTA/state_b.pdb @@ -0,0 +1,1072 @@ +MODEL 1 +ATOM 1 N MET A -1 4.683 -11.512 4.913 1.00 0.00 N +ATOM 2 CA MET A -1 5.036 -11.861 6.314 1.00 0.00 C +ATOM 3 C MET A -1 3.956 -11.395 7.287 1.00 0.00 C +ATOM 4 O MET A -1 4.222 -10.609 8.197 1.00 0.00 O +ATOM 5 CB MET A -1 6.377 -11.209 6.657 1.00 0.00 C +ATOM 6 CG MET A -1 7.567 -11.877 5.987 1.00 0.00 C +ATOM 7 SD MET A -1 8.723 -10.690 5.274 1.00 0.00 S +ATOM 8 CE MET A -1 9.574 -11.721 4.083 1.00 0.00 C +ATOM 9 H1 MET A -1 4.902 -10.505 4.773 1.00 0.00 H +ATOM 10 H2 MET A -1 3.667 -11.697 4.787 1.00 0.00 H +ATOM 11 H3 MET A -1 5.255 -12.110 4.284 1.00 0.00 H +ATOM 12 HA MET A -1 5.134 -12.934 6.386 1.00 0.00 H +ATOM 13 HB2 MET A -1 6.349 -10.174 6.347 1.00 0.00 H +ATOM 14 HB3 MET A -1 6.522 -11.252 7.726 1.00 0.00 H +ATOM 15 HG2 MET A -1 8.091 -12.469 6.723 1.00 0.00 H +ATOM 16 HG3 MET A -1 7.205 -12.523 5.201 1.00 0.00 H +ATOM 17 HE1 MET A -1 10.417 -11.181 3.677 1.00 0.00 H +ATOM 18 HE2 MET A -1 8.897 -11.983 3.284 1.00 0.00 H +ATOM 19 HE3 MET A -1 9.923 -12.620 4.569 1.00 0.00 H +ATOM 20 N ASP A 0 2.737 -11.884 7.088 1.00 0.00 N +ATOM 21 CA ASP A 0 1.616 -11.519 7.947 1.00 0.00 C +ATOM 22 C ASP A 0 1.318 -12.626 8.953 1.00 0.00 C +ATOM 23 O ASP A 0 0.171 -12.818 9.358 1.00 0.00 O +ATOM 24 CB ASP A 0 0.373 -11.233 7.103 1.00 0.00 C +ATOM 25 CG ASP A 0 -0.624 -10.343 7.821 1.00 0.00 C +ATOM 26 OD1 ASP A 0 -0.235 -9.699 8.818 1.00 0.00 O +ATOM 27 OD2 ASP A 0 -1.793 -10.291 7.386 1.00 0.00 O +ATOM 28 H ASP A 0 2.587 -12.507 6.346 1.00 0.00 H +ATOM 29 HA ASP A 0 1.889 -10.623 8.485 1.00 0.00 H +ATOM 30 HB2 ASP A 0 0.671 -10.742 6.189 1.00 0.00 H +ATOM 31 HB3 ASP A 0 -0.114 -12.167 6.863 1.00 0.00 H +ATOM 32 N GLU A 1 2.356 -13.355 9.349 1.00 0.00 N +ATOM 33 CA GLU A 1 2.205 -14.446 10.305 1.00 0.00 C +ATOM 34 C GLU A 1 2.930 -14.141 11.615 1.00 0.00 C +ATOM 35 O GLU A 1 2.617 -14.722 12.655 1.00 0.00 O +ATOM 36 CB GLU A 1 2.738 -15.751 9.705 1.00 0.00 C +ATOM 37 CG GLU A 1 1.729 -16.888 9.730 1.00 0.00 C +ATOM 38 CD GLU A 1 1.457 -17.458 8.352 1.00 0.00 C +ATOM 39 OE1 GLU A 1 1.227 -16.664 7.415 1.00 0.00 O +ATOM 40 OE2 GLU A 1 1.472 -18.699 8.209 1.00 0.00 O +ATOM 41 H GLU A 1 3.245 -13.156 8.987 1.00 0.00 H +ATOM 42 HA GLU A 1 1.152 -14.562 10.510 1.00 0.00 H +ATOM 43 HB2 GLU A 1 3.021 -15.571 8.678 1.00 0.00 H +ATOM 44 HB3 GLU A 1 3.611 -16.061 10.260 1.00 0.00 H +ATOM 45 HG2 GLU A 1 2.112 -17.678 10.359 1.00 0.00 H +ATOM 46 HG3 GLU A 1 0.801 -16.519 10.141 1.00 0.00 H +ATOM 47 N LYS A 2 3.901 -13.234 11.561 1.00 0.00 N +ATOM 48 CA LYS A 2 4.666 -12.866 12.747 1.00 0.00 C +ATOM 49 C LYS A 2 4.288 -11.472 13.238 1.00 0.00 C +ATOM 50 O LYS A 2 3.918 -11.292 14.398 1.00 0.00 O +ATOM 51 CB LYS A 2 6.165 -12.922 12.448 1.00 0.00 C +ATOM 52 CG LYS A 2 6.694 -14.333 12.250 1.00 0.00 C +ATOM 53 CD LYS A 2 6.518 -14.799 10.812 1.00 0.00 C +ATOM 54 CE LYS A 2 7.848 -14.865 10.076 1.00 0.00 C +ATOM 55 NZ LYS A 2 7.846 -14.025 8.845 1.00 0.00 N +ATOM 56 H LYS A 2 4.112 -12.806 10.705 1.00 0.00 H +ATOM 57 HA LYS A 2 4.438 -13.581 13.522 1.00 0.00 H +ATOM 58 HB2 LYS A 2 6.362 -12.357 11.548 1.00 0.00 H +ATOM 59 HB3 LYS A 2 6.702 -12.471 13.270 1.00 0.00 H +ATOM 60 HG2 LYS A 2 7.744 -14.351 12.499 1.00 0.00 H +ATOM 61 HG3 LYS A 2 6.156 -15.003 12.905 1.00 0.00 H +ATOM 62 HD2 LYS A 2 6.073 -15.783 10.816 1.00 0.00 H +ATOM 63 HD3 LYS A 2 5.865 -14.109 10.298 1.00 0.00 H +ATOM 64 HE2 LYS A 2 8.630 -14.517 10.735 1.00 0.00 H +ATOM 65 HE3 LYS A 2 8.041 -15.891 9.800 1.00 0.00 H +ATOM 66 HZ1 LYS A 2 8.219 -14.570 8.041 1.00 0.00 H +ATOM 67 HZ2 LYS A 2 8.441 -13.184 8.985 1.00 0.00 H +ATOM 68 HZ3 LYS A 2 6.877 -13.718 8.622 1.00 0.00 H +ATOM 69 N ARG A 3 4.390 -10.488 12.352 1.00 0.00 N +ATOM 70 CA ARG A 3 4.065 -9.109 12.701 1.00 0.00 C +ATOM 71 C ARG A 3 2.688 -8.714 12.169 1.00 0.00 C +ATOM 72 O ARG A 3 2.554 -8.313 11.013 1.00 0.00 O +ATOM 73 CB ARG A 3 5.132 -8.161 12.148 1.00 0.00 C +ATOM 74 CG ARG A 3 6.011 -7.544 13.223 1.00 0.00 C +ATOM 75 CD ARG A 3 7.194 -8.438 13.558 1.00 0.00 C +ATOM 76 NE ARG A 3 8.280 -8.293 12.591 1.00 0.00 N +ATOM 77 CZ ARG A 3 9.573 -8.354 12.905 1.00 0.00 C +ATOM 78 NH1 ARG A 3 9.954 -8.573 14.158 1.00 0.00 N +ATOM 79 NH2 ARG A 3 10.490 -8.202 11.960 1.00 0.00 N +ATOM 80 H ARG A 3 4.696 -10.691 11.443 1.00 0.00 H +ATOM 81 HA ARG A 3 4.057 -9.035 13.778 1.00 0.00 H +ATOM 82 HB2 ARG A 3 5.765 -8.708 11.466 1.00 0.00 H +ATOM 83 HB3 ARG A 3 4.645 -7.361 11.609 1.00 0.00 H +ATOM 84 HG2 ARG A 3 6.382 -6.593 12.870 1.00 0.00 H +ATOM 85 HG3 ARG A 3 5.421 -7.393 14.115 1.00 0.00 H +ATOM 86 HD2 ARG A 3 7.558 -8.175 14.539 1.00 0.00 H +ATOM 87 HD3 ARG A 3 6.862 -9.466 13.562 1.00 0.00 H +ATOM 88 HE ARG A 3 8.032 -8.138 11.655 1.00 0.00 H +ATOM 89 HH11 ARG A 3 9.271 -8.694 14.877 1.00 0.00 H +ATOM 90 HH12 ARG A 3 10.928 -8.616 14.383 1.00 0.00 H +ATOM 91 HH21 ARG A 3 10.211 -8.041 11.013 1.00 0.00 H +ATOM 92 HH22 ARG A 3 11.462 -8.246 12.194 1.00 0.00 H +ATOM 93 N PRO A 4 1.642 -8.817 13.009 1.00 0.00 N +ATOM 94 CA PRO A 4 0.276 -8.461 12.612 1.00 0.00 C +ATOM 95 C PRO A 4 0.101 -6.956 12.440 1.00 0.00 C +ATOM 96 O PRO A 4 0.370 -6.181 13.358 1.00 0.00 O +ATOM 97 CB PRO A 4 -0.577 -8.971 13.775 1.00 0.00 C +ATOM 98 CG PRO A 4 0.340 -8.961 14.948 1.00 0.00 C +ATOM 99 CD PRO A 4 1.707 -9.281 14.408 1.00 0.00 C +ATOM 100 HA PRO A 4 -0.014 -8.963 11.700 1.00 0.00 H +ATOM 101 HB2 PRO A 4 -1.419 -8.310 13.924 1.00 0.00 H +ATOM 102 HB3 PRO A 4 -0.928 -9.968 13.558 1.00 0.00 H +ATOM 103 HG2 PRO A 4 0.338 -7.983 15.407 1.00 0.00 H +ATOM 104 HG3 PRO A 4 0.033 -9.712 15.660 1.00 0.00 H +ATOM 105 HD2 PRO A 4 2.465 -8.743 14.958 1.00 0.00 H +ATOM 106 HD3 PRO A 4 1.890 -10.344 14.452 1.00 0.00 H +ATOM 107 N ARG A 5 -0.349 -6.550 11.259 1.00 0.00 N +ATOM 108 CA ARG A 5 -0.561 -5.137 10.965 1.00 0.00 C +ATOM 109 C ARG A 5 -1.186 -4.954 9.586 1.00 0.00 C +ATOM 110 O ARG A 5 -2.003 -4.057 9.380 1.00 0.00 O +ATOM 111 CB ARG A 5 0.762 -4.371 11.047 1.00 0.00 C +ATOM 112 CG ARG A 5 1.864 -4.960 10.182 1.00 0.00 C +ATOM 113 CD ARG A 5 3.031 -3.997 10.037 1.00 0.00 C +ATOM 114 NE ARG A 5 3.579 -3.601 11.332 1.00 0.00 N +ATOM 115 CZ ARG A 5 4.357 -2.537 11.515 1.00 0.00 C +ATOM 116 NH1 ARG A 5 4.683 -1.760 10.490 1.00 0.00 N +ATOM 117 NH2 ARG A 5 4.811 -2.248 12.728 1.00 0.00 N +ATOM 118 H ARG A 5 -0.546 -7.217 10.569 1.00 0.00 H +ATOM 119 HA ARG A 5 -1.239 -4.744 11.708 1.00 0.00 H +ATOM 120 HB2 ARG A 5 0.594 -3.352 10.733 1.00 0.00 H +ATOM 121 HB3 ARG A 5 1.101 -4.371 12.073 1.00 0.00 H +ATOM 122 HG2 ARG A 5 2.218 -5.873 10.638 1.00 0.00 H +ATOM 123 HG3 ARG A 5 1.463 -5.177 9.202 1.00 0.00 H +ATOM 124 HD2 ARG A 5 3.808 -4.477 9.460 1.00 0.00 H +ATOM 125 HD3 ARG A 5 2.690 -3.114 9.515 1.00 0.00 H +ATOM 126 HE ARG A 5 3.354 -4.158 12.107 1.00 0.00 H +ATOM 127 HH11 ARG A 5 4.345 -1.971 9.573 1.00 0.00 H +ATOM 128 HH12 ARG A 5 5.268 -0.962 10.635 1.00 0.00 H +ATOM 129 HH21 ARG A 5 4.568 -2.830 13.504 1.00 0.00 H +ATOM 130 HH22 ARG A 5 5.396 -1.449 12.865 1.00 0.00 H +ATOM 131 N THR A 6 -0.801 -5.811 8.644 1.00 0.00 N +ATOM 132 CA THR A 6 -1.331 -5.743 7.287 1.00 0.00 C +ATOM 133 C THR A 6 -2.651 -6.507 7.180 1.00 0.00 C +ATOM 134 O THR A 6 -2.826 -7.348 6.298 1.00 0.00 O +ATOM 135 CB THR A 6 -0.311 -6.304 6.291 1.00 0.00 C +ATOM 136 OG1 THR A 6 0.636 -7.126 6.950 1.00 0.00 O +ATOM 137 CG2 THR A 6 0.454 -5.228 5.550 1.00 0.00 C +ATOM 138 H THR A 6 -0.148 -6.506 8.867 1.00 0.00 H +ATOM 139 HA THR A 6 -1.512 -4.704 7.055 1.00 0.00 H +ATOM 140 HB THR A 6 -0.828 -6.905 5.557 1.00 0.00 H +ATOM 141 HG1 THR A 6 0.190 -7.889 7.326 1.00 0.00 H +ATOM 142 HG21 THR A 6 1.342 -5.657 5.109 1.00 0.00 H +ATOM 143 HG22 THR A 6 0.736 -4.447 6.240 1.00 0.00 H +ATOM 144 HG23 THR A 6 -0.170 -4.814 4.772 1.00 0.00 H +ATOM 145 N ALA A 7 -3.578 -6.207 8.085 1.00 0.00 N +ATOM 146 CA ALA A 7 -4.880 -6.862 8.090 1.00 0.00 C +ATOM 147 C ALA A 7 -5.828 -6.194 7.102 1.00 0.00 C +ATOM 148 O ALA A 7 -6.545 -5.256 7.450 1.00 0.00 O +ATOM 149 CB ALA A 7 -5.475 -6.845 9.491 1.00 0.00 C +ATOM 150 H ALA A 7 -3.384 -5.527 8.762 1.00 0.00 H +ATOM 151 HA ALA A 7 -4.736 -7.892 7.797 1.00 0.00 H +ATOM 152 HB1 ALA A 7 -4.744 -7.212 10.196 1.00 0.00 H +ATOM 153 HB2 ALA A 7 -6.350 -7.476 9.517 1.00 0.00 H +ATOM 154 HB3 ALA A 7 -5.752 -5.834 9.752 1.00 0.00 H +ATOM 155 N PHE A 8 -5.824 -6.684 5.867 1.00 0.00 N +ATOM 156 CA PHE A 8 -6.682 -6.135 4.824 1.00 0.00 C +ATOM 157 C PHE A 8 -7.624 -7.200 4.277 1.00 0.00 C +ATOM 158 O PHE A 8 -7.530 -8.373 4.640 1.00 0.00 O +ATOM 159 CB PHE A 8 -5.832 -5.561 3.690 1.00 0.00 C +ATOM 160 CG PHE A 8 -4.977 -4.399 4.108 1.00 0.00 C +ATOM 161 CD1 PHE A 8 -3.696 -4.604 4.594 1.00 0.00 C +ATOM 162 CD2 PHE A 8 -5.455 -3.102 4.015 1.00 0.00 C +ATOM 163 CE1 PHE A 8 -2.907 -3.536 4.979 1.00 0.00 C +ATOM 164 CE2 PHE A 8 -4.671 -2.030 4.398 1.00 0.00 C +ATOM 165 CZ PHE A 8 -3.395 -2.248 4.881 1.00 0.00 C +ATOM 166 H PHE A 8 -5.229 -7.432 5.652 1.00 0.00 H +ATOM 167 HA PHE A 8 -7.269 -5.340 5.260 1.00 0.00 H +ATOM 168 HB2 PHE A 8 -5.179 -6.333 3.312 1.00 0.00 H +ATOM 169 HB3 PHE A 8 -6.483 -5.227 2.896 1.00 0.00 H +ATOM 170 HD1 PHE A 8 -3.313 -5.611 4.671 1.00 0.00 H +ATOM 171 HD2 PHE A 8 -6.453 -2.931 3.638 1.00 0.00 H +ATOM 172 HE1 PHE A 8 -1.910 -3.709 5.356 1.00 0.00 H +ATOM 173 HE2 PHE A 8 -5.056 -1.024 4.320 1.00 0.00 H +ATOM 174 HZ PHE A 8 -2.781 -1.412 5.180 1.00 0.00 H +ATOM 175 N SER A 9 -8.530 -6.784 3.400 1.00 0.00 N +ATOM 176 CA SER A 9 -9.490 -7.701 2.797 1.00 0.00 C +ATOM 177 C SER A 9 -9.148 -7.956 1.334 1.00 0.00 C +ATOM 178 O SER A 9 -8.447 -7.166 0.704 1.00 0.00 O +ATOM 179 CB SER A 9 -10.906 -7.135 2.906 1.00 0.00 C +ATOM 180 OG SER A 9 -11.154 -6.186 1.883 1.00 0.00 O +ATOM 181 H SER A 9 -8.553 -5.837 3.149 1.00 0.00 H +ATOM 182 HA SER A 9 -9.441 -8.636 3.336 1.00 0.00 H +ATOM 183 HB2 SER A 9 -11.621 -7.939 2.815 1.00 0.00 H +ATOM 184 HB3 SER A 9 -11.027 -6.653 3.865 1.00 0.00 H +ATOM 185 HG SER A 9 -10.559 -5.441 1.988 1.00 0.00 H +ATOM 186 N SER A 10 -9.651 -9.063 0.797 1.00 0.00 N +ATOM 187 CA SER A 10 -9.401 -9.417 -0.596 1.00 0.00 C +ATOM 188 C SER A 10 -9.777 -8.268 -1.528 1.00 0.00 C +ATOM 189 O SER A 10 -9.060 -7.969 -2.483 1.00 0.00 O +ATOM 190 CB SER A 10 -10.187 -10.674 -0.974 1.00 0.00 C +ATOM 191 OG SER A 10 -9.809 -11.775 -0.166 1.00 0.00 O +ATOM 192 H SER A 10 -10.206 -9.653 1.348 1.00 0.00 H +ATOM 193 HA SER A 10 -8.346 -9.619 -0.702 1.00 0.00 H +ATOM 194 HB2 SER A 10 -11.242 -10.491 -0.840 1.00 0.00 H +ATOM 195 HB3 SER A 10 -9.992 -10.919 -2.008 1.00 0.00 H +ATOM 196 HG SER A 10 -9.849 -11.522 0.759 1.00 0.00 H +ATOM 197 N GLU A 11 -10.906 -7.626 -1.242 1.00 0.00 N +ATOM 198 CA GLU A 11 -11.378 -6.509 -2.053 1.00 0.00 C +ATOM 199 C GLU A 11 -10.448 -5.307 -1.923 1.00 0.00 C +ATOM 200 O GLU A 11 -10.152 -4.628 -2.908 1.00 0.00 O +ATOM 201 CB GLU A 11 -12.799 -6.115 -1.645 1.00 0.00 C +ATOM 202 CG GLU A 11 -13.499 -5.229 -2.662 1.00 0.00 C +ATOM 203 CD GLU A 11 -14.131 -6.022 -3.789 1.00 0.00 C +ATOM 204 OE1 GLU A 11 -14.510 -7.189 -3.554 1.00 0.00 O +ATOM 205 OE2 GLU A 11 -14.248 -5.477 -4.907 1.00 0.00 O +ATOM 206 H GLU A 11 -11.435 -7.910 -0.467 1.00 0.00 H +ATOM 207 HA GLU A 11 -11.387 -6.830 -3.084 1.00 0.00 H +ATOM 208 HB2 GLU A 11 -13.386 -7.012 -1.516 1.00 0.00 H +ATOM 209 HB3 GLU A 11 -12.757 -5.584 -0.705 1.00 0.00 H +ATOM 210 HG2 GLU A 11 -14.273 -4.668 -2.160 1.00 0.00 H +ATOM 211 HG3 GLU A 11 -12.776 -4.546 -3.084 1.00 0.00 H +ATOM 212 N GLN A 12 -9.989 -5.046 -0.702 1.00 0.00 N +ATOM 213 CA GLN A 12 -9.094 -3.923 -0.452 1.00 0.00 C +ATOM 214 C GLN A 12 -7.747 -4.147 -1.128 1.00 0.00 C +ATOM 215 O GLN A 12 -7.222 -3.255 -1.795 1.00 0.00 O +ATOM 216 CB GLN A 12 -8.895 -3.719 1.052 1.00 0.00 C +ATOM 217 CG GLN A 12 -10.067 -3.033 1.733 1.00 0.00 C +ATOM 218 CD GLN A 12 -9.998 -3.126 3.245 1.00 0.00 C +ATOM 219 OE1 GLN A 12 -9.342 -4.011 3.794 1.00 0.00 O +ATOM 220 NE2 GLN A 12 -10.678 -2.211 3.926 1.00 0.00 N +ATOM 221 H GLN A 12 -10.259 -5.621 0.046 1.00 0.00 H +ATOM 222 HA GLN A 12 -9.550 -3.037 -0.869 1.00 0.00 H +ATOM 223 HB2 GLN A 12 -8.749 -4.682 1.518 1.00 0.00 H +ATOM 224 HB3 GLN A 12 -8.013 -3.116 1.207 1.00 0.00 H +ATOM 225 HG2 GLN A 12 -10.070 -1.990 1.453 1.00 0.00 H +ATOM 226 HG3 GLN A 12 -10.984 -3.497 1.399 1.00 0.00 H +ATOM 227 HE21 GLN A 12 -11.178 -1.536 3.422 1.00 0.00 H +ATOM 228 HE22 GLN A 12 -10.651 -2.248 4.905 1.00 0.00 H +ATOM 229 N LEU A 13 -7.196 -5.344 -0.962 1.00 0.00 N +ATOM 230 CA LEU A 13 -5.914 -5.678 -1.569 1.00 0.00 C +ATOM 231 C LEU A 13 -6.028 -5.667 -3.087 1.00 0.00 C +ATOM 232 O LEU A 13 -5.102 -5.259 -3.784 1.00 0.00 O +ATOM 233 CB LEU A 13 -5.433 -7.055 -1.097 1.00 0.00 C +ATOM 234 CG LEU A 13 -4.629 -7.081 0.212 1.00 0.00 C +ATOM 235 CD1 LEU A 13 -3.670 -8.260 0.212 1.00 0.00 C +ATOM 236 CD2 LEU A 13 -3.861 -5.783 0.424 1.00 0.00 C +ATOM 237 H LEU A 13 -7.663 -6.017 -0.426 1.00 0.00 H +ATOM 238 HA LEU A 13 -5.200 -4.928 -1.270 1.00 0.00 H +ATOM 239 HB2 LEU A 13 -6.300 -7.686 -0.970 1.00 0.00 H +ATOM 240 HB3 LEU A 13 -4.817 -7.479 -1.876 1.00 0.00 H +ATOM 241 HG LEU A 13 -5.310 -7.208 1.042 1.00 0.00 H +ATOM 242 HD11 LEU A 13 -3.346 -8.462 1.222 1.00 0.00 H +ATOM 243 HD12 LEU A 13 -2.812 -8.024 -0.402 1.00 0.00 H +ATOM 244 HD13 LEU A 13 -4.170 -9.130 -0.188 1.00 0.00 H +ATOM 245 HD21 LEU A 13 -3.173 -5.901 1.248 1.00 0.00 H +ATOM 246 HD22 LEU A 13 -4.555 -4.986 0.645 1.00 0.00 H +ATOM 247 HD23 LEU A 13 -3.309 -5.541 -0.473 1.00 0.00 H +ATOM 248 N ALA A 14 -7.173 -6.113 -3.591 1.00 0.00 N +ATOM 249 CA ALA A 14 -7.410 -6.147 -5.028 1.00 0.00 C +ATOM 250 C ALA A 14 -7.349 -4.742 -5.611 1.00 0.00 C +ATOM 251 O ALA A 14 -6.690 -4.504 -6.624 1.00 0.00 O +ATOM 252 CB ALA A 14 -8.755 -6.791 -5.329 1.00 0.00 C +ATOM 253 H ALA A 14 -7.876 -6.422 -2.983 1.00 0.00 H +ATOM 254 HA ALA A 14 -6.636 -6.750 -5.481 1.00 0.00 H +ATOM 255 HB1 ALA A 14 -9.483 -6.460 -4.603 1.00 0.00 H +ATOM 256 HB2 ALA A 14 -8.659 -7.866 -5.278 1.00 0.00 H +ATOM 257 HB3 ALA A 14 -9.078 -6.505 -6.319 1.00 0.00 H +ATOM 258 N ARG A 15 -8.033 -3.810 -4.956 1.00 0.00 N +ATOM 259 CA ARG A 15 -8.050 -2.422 -5.401 1.00 0.00 C +ATOM 260 C ARG A 15 -6.656 -1.812 -5.295 1.00 0.00 C +ATOM 261 O ARG A 15 -6.160 -1.194 -6.238 1.00 0.00 O +ATOM 262 CB ARG A 15 -9.042 -1.608 -4.569 1.00 0.00 C +ATOM 263 CG ARG A 15 -9.282 -0.207 -5.105 1.00 0.00 C +ATOM 264 CD ARG A 15 -10.215 -0.223 -6.305 1.00 0.00 C +ATOM 265 NE ARG A 15 -11.050 0.975 -6.365 1.00 0.00 N +ATOM 266 CZ ARG A 15 -12.023 1.156 -7.255 1.00 0.00 C +ATOM 267 NH1 ARG A 15 -12.288 0.221 -8.159 1.00 0.00 N +ATOM 268 NH2 ARG A 15 -12.734 2.275 -7.240 1.00 0.00 N +ATOM 269 H ARG A 15 -8.533 -4.061 -4.150 1.00 0.00 H +ATOM 270 HA ARG A 15 -8.360 -2.407 -6.436 1.00 0.00 H +ATOM 271 HB2 ARG A 15 -9.989 -2.129 -4.548 1.00 0.00 H +ATOM 272 HB3 ARG A 15 -8.665 -1.525 -3.560 1.00 0.00 H +ATOM 273 HG2 ARG A 15 -9.724 0.396 -4.326 1.00 0.00 H +ATOM 274 HG3 ARG A 15 -8.336 0.221 -5.401 1.00 0.00 H +ATOM 275 HD2 ARG A 15 -9.622 -0.281 -7.205 1.00 0.00 H +ATOM 276 HD3 ARG A 15 -10.852 -1.092 -6.238 1.00 0.00 H +ATOM 277 HE ARG A 15 -10.876 1.681 -5.708 1.00 0.00 H +ATOM 278 HH11 ARG A 15 -11.756 -0.625 -8.175 1.00 0.00 H +ATOM 279 HH12 ARG A 15 -13.020 0.363 -8.825 1.00 0.00 H +ATOM 280 HH21 ARG A 15 -12.539 2.983 -6.561 1.00 0.00 H +ATOM 281 HH22 ARG A 15 -13.465 2.412 -7.909 1.00 0.00 H +ATOM 282 N LEU A 16 -6.025 -1.999 -4.139 1.00 0.00 N +ATOM 283 CA LEU A 16 -4.685 -1.477 -3.906 1.00 0.00 C +ATOM 284 C LEU A 16 -3.700 -2.056 -4.916 1.00 0.00 C +ATOM 285 O LEU A 16 -2.840 -1.345 -5.438 1.00 0.00 O +ATOM 286 CB LEU A 16 -4.230 -1.799 -2.482 1.00 0.00 C +ATOM 287 CG LEU A 16 -5.027 -1.105 -1.375 1.00 0.00 C +ATOM 288 CD1 LEU A 16 -5.146 -2.006 -0.153 1.00 0.00 C +ATOM 289 CD2 LEU A 16 -4.377 0.220 -1.004 1.00 0.00 C +ATOM 290 H LEU A 16 -6.471 -2.505 -3.428 1.00 0.00 H +ATOM 291 HA LEU A 16 -4.721 -0.404 -4.030 1.00 0.00 H +ATOM 292 HB2 LEU A 16 -4.304 -2.867 -2.336 1.00 0.00 H +ATOM 293 HB3 LEU A 16 -3.195 -1.511 -2.383 1.00 0.00 H +ATOM 294 HG LEU A 16 -6.025 -0.899 -1.735 1.00 0.00 H +ATOM 295 HD11 LEU A 16 -6.175 -2.311 -0.031 1.00 0.00 H +ATOM 296 HD12 LEU A 16 -4.824 -1.467 0.726 1.00 0.00 H +ATOM 297 HD13 LEU A 16 -4.526 -2.880 -0.287 1.00 0.00 H +ATOM 298 HD21 LEU A 16 -3.740 0.081 -0.144 1.00 0.00 H +ATOM 299 HD22 LEU A 16 -5.144 0.944 -0.771 1.00 0.00 H +ATOM 300 HD23 LEU A 16 -3.786 0.577 -1.835 1.00 0.00 H +ATOM 301 N LYS A 17 -3.838 -3.348 -5.197 1.00 0.00 N +ATOM 302 CA LYS A 17 -2.968 -4.018 -6.155 1.00 0.00 C +ATOM 303 C LYS A 17 -3.146 -3.411 -7.540 1.00 0.00 C +ATOM 304 O LYS A 17 -2.181 -3.233 -8.283 1.00 0.00 O +ATOM 305 CB LYS A 17 -3.266 -5.519 -6.196 1.00 0.00 C +ATOM 306 CG LYS A 17 -2.249 -6.362 -5.441 1.00 0.00 C +ATOM 307 CD LYS A 17 -1.583 -7.383 -6.351 1.00 0.00 C +ATOM 308 CE LYS A 17 -1.404 -8.722 -5.652 1.00 0.00 C +ATOM 309 NZ LYS A 17 -1.689 -9.866 -6.562 1.00 0.00 N +ATOM 310 H LYS A 17 -4.547 -3.860 -4.755 1.00 0.00 H +ATOM 311 HA LYS A 17 -1.947 -3.870 -5.837 1.00 0.00 H +ATOM 312 HB2 LYS A 17 -4.239 -5.693 -5.761 1.00 0.00 H +ATOM 313 HB3 LYS A 17 -3.279 -5.845 -7.226 1.00 0.00 H +ATOM 314 HG2 LYS A 17 -1.490 -5.712 -5.032 1.00 0.00 H +ATOM 315 HG3 LYS A 17 -2.752 -6.882 -4.639 1.00 0.00 H +ATOM 316 HD2 LYS A 17 -2.198 -7.526 -7.227 1.00 0.00 H +ATOM 317 HD3 LYS A 17 -0.614 -7.009 -6.647 1.00 0.00 H +ATOM 318 HE2 LYS A 17 -0.386 -8.797 -5.302 1.00 0.00 H +ATOM 319 HE3 LYS A 17 -2.078 -8.766 -4.809 1.00 0.00 H +ATOM 320 HZ1 LYS A 17 -2.213 -10.606 -6.052 1.00 0.00 H +ATOM 321 HZ2 LYS A 17 -0.799 -10.271 -6.917 1.00 0.00 H +ATOM 322 HZ3 LYS A 17 -2.259 -9.547 -7.371 1.00 0.00 H +ATOM 323 N ARG A 18 -4.391 -3.087 -7.877 1.00 0.00 N +ATOM 324 CA ARG A 18 -4.702 -2.490 -9.169 1.00 0.00 C +ATOM 325 C ARG A 18 -3.982 -1.156 -9.322 1.00 0.00 C +ATOM 326 O ARG A 18 -3.380 -0.878 -10.359 1.00 0.00 O +ATOM 327 CB ARG A 18 -6.212 -2.290 -9.314 1.00 0.00 C +ATOM 328 CG ARG A 18 -6.932 -3.501 -9.883 1.00 0.00 C +ATOM 329 CD ARG A 18 -8.400 -3.517 -9.486 1.00 0.00 C +ATOM 330 NE ARG A 18 -9.268 -3.104 -10.586 1.00 0.00 N +ATOM 331 CZ ARG A 18 -9.393 -3.779 -11.727 1.00 0.00 C +ATOM 332 NH1 ARG A 18 -8.713 -4.903 -11.919 1.00 0.00 N +ATOM 333 NH2 ARG A 18 -10.201 -3.331 -12.677 1.00 0.00 N +ATOM 334 H ARG A 18 -5.117 -3.249 -7.238 1.00 0.00 H +ATOM 335 HA ARG A 18 -4.359 -3.164 -9.939 1.00 0.00 H +ATOM 336 HB2 ARG A 18 -6.630 -2.074 -8.341 1.00 0.00 H +ATOM 337 HB3 ARG A 18 -6.391 -1.450 -9.968 1.00 0.00 H +ATOM 338 HG2 ARG A 18 -6.862 -3.476 -10.960 1.00 0.00 H +ATOM 339 HG3 ARG A 18 -6.458 -4.398 -9.511 1.00 0.00 H +ATOM 340 HD2 ARG A 18 -8.668 -4.519 -9.186 1.00 0.00 H +ATOM 341 HD3 ARG A 18 -8.543 -2.843 -8.654 1.00 0.00 H +ATOM 342 HE ARG A 18 -9.785 -2.279 -10.470 1.00 0.00 H +ATOM 343 HH11 ARG A 18 -8.103 -5.248 -11.206 1.00 0.00 H +ATOM 344 HH12 ARG A 18 -8.811 -5.405 -12.778 1.00 0.00 H +ATOM 345 HH21 ARG A 18 -10.718 -2.486 -12.537 1.00 0.00 H +ATOM 346 HH22 ARG A 18 -10.295 -3.838 -13.534 1.00 0.00 H +ATOM 347 N GLU A 19 -4.040 -0.339 -8.275 1.00 0.00 N +ATOM 348 CA GLU A 19 -3.384 0.963 -8.287 1.00 0.00 C +ATOM 349 C GLU A 19 -1.871 0.797 -8.365 1.00 0.00 C +ATOM 350 O GLU A 19 -1.186 1.551 -9.058 1.00 0.00 O +ATOM 351 CB GLU A 19 -3.758 1.760 -7.035 1.00 0.00 C +ATOM 352 CG GLU A 19 -5.244 2.060 -6.924 1.00 0.00 C +ATOM 353 CD GLU A 19 -5.745 2.946 -8.048 1.00 0.00 C +ATOM 354 OE1 GLU A 19 -5.533 4.175 -7.974 1.00 0.00 O +ATOM 355 OE2 GLU A 19 -6.350 2.412 -9.001 1.00 0.00 O +ATOM 356 H GLU A 19 -4.530 -0.621 -7.473 1.00 0.00 H +ATOM 357 HA GLU A 19 -3.723 1.499 -9.161 1.00 0.00 H +ATOM 358 HB2 GLU A 19 -3.460 1.197 -6.163 1.00 0.00 H +ATOM 359 HB3 GLU A 19 -3.223 2.698 -7.047 1.00 0.00 H +ATOM 360 HG2 GLU A 19 -5.789 1.129 -6.951 1.00 0.00 H +ATOM 361 HG3 GLU A 19 -5.428 2.557 -5.983 1.00 0.00 H +ATOM 362 N PHE A 20 -1.356 -0.198 -7.650 1.00 0.00 N +ATOM 363 CA PHE A 20 0.076 -0.470 -7.636 1.00 0.00 C +ATOM 364 C PHE A 20 0.558 -0.906 -9.016 1.00 0.00 C +ATOM 365 O PHE A 20 1.670 -0.578 -9.428 1.00 0.00 O +ATOM 366 CB PHE A 20 0.403 -1.549 -6.602 1.00 0.00 C +ATOM 367 CG PHE A 20 1.867 -1.874 -6.514 1.00 0.00 C +ATOM 368 CD1 PHE A 20 2.695 -1.173 -5.652 1.00 0.00 C +ATOM 369 CD2 PHE A 20 2.415 -2.879 -7.295 1.00 0.00 C +ATOM 370 CE1 PHE A 20 4.042 -1.469 -5.570 1.00 0.00 C +ATOM 371 CE2 PHE A 20 3.761 -3.179 -7.217 1.00 0.00 C +ATOM 372 CZ PHE A 20 4.576 -2.474 -6.354 1.00 0.00 C +ATOM 373 H PHE A 20 -1.954 -0.765 -7.120 1.00 0.00 H +ATOM 374 HA PHE A 20 0.584 0.443 -7.364 1.00 0.00 H +ATOM 375 HB2 PHE A 20 0.079 -1.214 -5.628 1.00 0.00 H +ATOM 376 HB3 PHE A 20 -0.125 -2.456 -6.859 1.00 0.00 H +ATOM 377 HD1 PHE A 20 2.278 -0.387 -5.039 1.00 0.00 H +ATOM 378 HD2 PHE A 20 1.778 -3.431 -7.971 1.00 0.00 H +ATOM 379 HE1 PHE A 20 4.677 -0.916 -4.894 1.00 0.00 H +ATOM 380 HE2 PHE A 20 4.176 -3.966 -7.830 1.00 0.00 H +ATOM 381 HZ PHE A 20 5.629 -2.707 -6.291 1.00 0.00 H +ATOM 382 N ASN A 21 -0.288 -1.645 -9.727 1.00 0.00 N +ATOM 383 CA ASN A 21 0.053 -2.122 -11.062 1.00 0.00 C +ATOM 384 C ASN A 21 0.270 -0.949 -12.012 1.00 0.00 C +ATOM 385 O ASN A 21 1.074 -1.029 -12.940 1.00 0.00 O +ATOM 386 CB ASN A 21 -1.051 -3.035 -11.599 1.00 0.00 C +ATOM 387 CG ASN A 21 -0.790 -4.497 -11.292 1.00 0.00 C +ATOM 388 OD1 ASN A 21 0.011 -4.826 -10.416 1.00 0.00 O +ATOM 389 ND2 ASN A 21 -1.466 -5.384 -12.013 1.00 0.00 N +ATOM 390 H ASN A 21 -1.162 -1.873 -9.346 1.00 0.00 H +ATOM 391 HA ASN A 21 0.971 -2.685 -10.988 1.00 0.00 H +ATOM 392 HB2 ASN A 21 -1.992 -2.755 -11.150 1.00 0.00 H +ATOM 393 HB3 ASN A 21 -1.118 -2.917 -12.670 1.00 0.00 H +ATOM 394 HD21 ASN A 21 -2.086 -5.050 -12.694 1.00 0.00 H +ATOM 395 HD22 ASN A 21 -1.316 -6.336 -11.835 1.00 0.00 H +ATOM 396 N GLU A 22 -0.448 0.143 -11.767 1.00 0.00 N +ATOM 397 CA GLU A 22 -0.329 1.338 -12.593 1.00 0.00 C +ATOM 398 C GLU A 22 0.860 2.181 -12.145 1.00 0.00 C +ATOM 399 O GLU A 22 1.528 2.817 -12.960 1.00 0.00 O +ATOM 400 CB GLU A 22 -1.613 2.166 -12.519 1.00 0.00 C +ATOM 401 CG GLU A 22 -2.851 1.413 -12.980 1.00 0.00 C +ATOM 402 CD GLU A 22 -3.934 2.337 -13.502 1.00 0.00 C +ATOM 403 OE1 GLU A 22 -3.620 3.201 -14.348 1.00 0.00 O +ATOM 404 OE2 GLU A 22 -5.095 2.198 -13.064 1.00 0.00 O +ATOM 405 H GLU A 22 -1.068 0.147 -11.008 1.00 0.00 H +ATOM 406 HA GLU A 22 -0.170 1.023 -13.614 1.00 0.00 H +ATOM 407 HB2 GLU A 22 -1.768 2.478 -11.497 1.00 0.00 H +ATOM 408 HB3 GLU A 22 -1.499 3.042 -13.140 1.00 0.00 H +ATOM 409 HG2 GLU A 22 -2.569 0.733 -13.769 1.00 0.00 H +ATOM 410 HG3 GLU A 22 -3.247 0.853 -12.146 1.00 0.00 H +ATOM 411 N ASN A 23 1.118 2.177 -10.841 1.00 0.00 N +ATOM 412 CA ASN A 23 2.227 2.936 -10.275 1.00 0.00 C +ATOM 413 C ASN A 23 2.593 2.406 -8.893 1.00 0.00 C +ATOM 414 O ASN A 23 1.736 2.279 -8.020 1.00 0.00 O +ATOM 415 CB ASN A 23 1.867 4.420 -10.187 1.00 0.00 C +ATOM 416 CG ASN A 23 3.092 5.313 -10.200 1.00 0.00 C +ATOM 417 OD1 ASN A 23 4.207 4.853 -10.445 1.00 0.00 O +ATOM 418 ND2 ASN A 23 2.890 6.599 -9.934 1.00 0.00 N +ATOM 419 H ASN A 23 0.549 1.648 -10.244 1.00 0.00 H +ATOM 420 HA ASN A 23 3.077 2.819 -10.930 1.00 0.00 H +ATOM 421 HB2 ASN A 23 1.244 4.684 -11.029 1.00 0.00 H +ATOM 422 HB3 ASN A 23 1.322 4.599 -9.272 1.00 0.00 H +ATOM 423 HD21 ASN A 23 1.975 6.895 -9.747 1.00 0.00 H +ATOM 424 HD22 ASN A 23 3.665 7.199 -9.935 1.00 0.00 H +ATOM 425 N ARG A 24 3.871 2.094 -8.703 1.00 0.00 N +ATOM 426 CA ARG A 24 4.355 1.572 -7.427 1.00 0.00 C +ATOM 427 C ARG A 24 4.409 2.657 -6.348 1.00 0.00 C +ATOM 428 O ARG A 24 4.776 2.382 -5.206 1.00 0.00 O +ATOM 429 CB ARG A 24 5.741 0.950 -7.605 1.00 0.00 C +ATOM 430 CG ARG A 24 5.821 -0.044 -8.752 1.00 0.00 C +ATOM 431 CD ARG A 24 7.257 -0.456 -9.032 1.00 0.00 C +ATOM 432 NE ARG A 24 7.471 -0.776 -10.441 1.00 0.00 N +ATOM 433 CZ ARG A 24 8.667 -0.787 -11.027 1.00 0.00 C +ATOM 434 NH1 ARG A 24 9.759 -0.497 -10.329 1.00 0.00 N +ATOM 435 NH2 ARG A 24 8.772 -1.088 -12.313 1.00 0.00 N +ATOM 436 H ARG A 24 4.506 2.215 -9.440 1.00 0.00 H +ATOM 437 HA ARG A 24 3.669 0.802 -7.107 1.00 0.00 H +ATOM 438 HB2 ARG A 24 6.455 1.739 -7.790 1.00 0.00 H +ATOM 439 HB3 ARG A 24 6.013 0.438 -6.694 1.00 0.00 H +ATOM 440 HG2 ARG A 24 5.249 -0.922 -8.495 1.00 0.00 H +ATOM 441 HG3 ARG A 24 5.407 0.412 -9.640 1.00 0.00 H +ATOM 442 HD2 ARG A 24 7.912 0.356 -8.754 1.00 0.00 H +ATOM 443 HD3 ARG A 24 7.491 -1.326 -8.435 1.00 0.00 H +ATOM 444 HE ARG A 24 6.682 -0.994 -10.980 1.00 0.00 H +ATOM 445 HH11 ARG A 24 9.687 -0.270 -9.358 1.00 0.00 H +ATOM 446 HH12 ARG A 24 10.654 -0.507 -10.775 1.00 0.00 H +ATOM 447 HH21 ARG A 24 7.953 -1.308 -12.844 1.00 0.00 H +ATOM 448 HH22 ARG A 24 9.670 -1.096 -12.754 1.00 0.00 H +ATOM 449 N TYR A 25 4.047 3.887 -6.709 1.00 0.00 N +ATOM 450 CA TYR A 25 4.064 4.995 -5.760 1.00 0.00 C +ATOM 451 C TYR A 25 2.646 5.393 -5.367 1.00 0.00 C +ATOM 452 O TYR A 25 1.676 4.753 -5.774 1.00 0.00 O +ATOM 453 CB TYR A 25 4.798 6.198 -6.359 1.00 0.00 C +ATOM 454 CG TYR A 25 6.035 5.826 -7.148 1.00 0.00 C +ATOM 455 CD1 TYR A 25 6.953 4.912 -6.647 1.00 0.00 C +ATOM 456 CD2 TYR A 25 6.283 6.390 -8.393 1.00 0.00 C +ATOM 457 CE1 TYR A 25 8.084 4.570 -7.365 1.00 0.00 C +ATOM 458 CE2 TYR A 25 7.411 6.053 -9.117 1.00 0.00 C +ATOM 459 CZ TYR A 25 8.308 5.143 -8.599 1.00 0.00 C +ATOM 460 OH TYR A 25 9.432 4.804 -9.317 1.00 0.00 O +ATOM 461 H TYR A 25 3.764 4.055 -7.628 1.00 0.00 H +ATOM 462 HA TYR A 25 4.591 4.666 -4.877 1.00 0.00 H +ATOM 463 HB2 TYR A 25 4.129 6.724 -7.023 1.00 0.00 H +ATOM 464 HB3 TYR A 25 5.099 6.860 -5.561 1.00 0.00 H +ATOM 465 HD1 TYR A 25 6.775 4.464 -5.680 1.00 0.00 H +ATOM 466 HD2 TYR A 25 5.579 7.103 -8.796 1.00 0.00 H +ATOM 467 HE1 TYR A 25 8.786 3.856 -6.959 1.00 0.00 H +ATOM 468 HE2 TYR A 25 7.586 6.502 -10.083 1.00 0.00 H +ATOM 469 HH TYR A 25 9.748 5.571 -9.801 1.00 0.00 H +ATOM 470 N LEU A 26 2.531 6.451 -4.571 1.00 0.00 N +ATOM 471 CA LEU A 26 1.228 6.930 -4.124 1.00 0.00 C +ATOM 472 C LEU A 26 1.241 8.439 -3.911 1.00 0.00 C +ATOM 473 O LEU A 26 2.157 8.981 -3.292 1.00 0.00 O +ATOM 474 CB LEU A 26 0.823 6.237 -2.817 1.00 0.00 C +ATOM 475 CG LEU A 26 -0.177 5.081 -2.941 1.00 0.00 C +ATOM 476 CD1 LEU A 26 -0.796 4.785 -1.586 1.00 0.00 C +ATOM 477 CD2 LEU A 26 -1.276 5.394 -3.944 1.00 0.00 C +ATOM 478 H LEU A 26 3.339 6.920 -4.278 1.00 0.00 H +ATOM 479 HA LEU A 26 0.507 6.694 -4.889 1.00 0.00 H +ATOM 480 HB2 LEU A 26 1.719 5.854 -2.352 1.00 0.00 H +ATOM 481 HB3 LEU A 26 0.393 6.980 -2.162 1.00 0.00 H +ATOM 482 HG LEU A 26 0.345 4.195 -3.277 1.00 0.00 H +ATOM 483 HD11 LEU A 26 -0.014 4.603 -0.864 1.00 0.00 H +ATOM 484 HD12 LEU A 26 -1.430 3.915 -1.662 1.00 0.00 H +ATOM 485 HD13 LEU A 26 -1.386 5.636 -1.272 1.00 0.00 H +ATOM 486 HD21 LEU A 26 -0.864 5.409 -4.941 1.00 0.00 H +ATOM 487 HD22 LEU A 26 -1.708 6.358 -3.715 1.00 0.00 H +ATOM 488 HD23 LEU A 26 -2.041 4.633 -3.882 1.00 0.00 H +ATOM 489 N THR A 27 0.210 9.107 -4.411 1.00 0.00 N +ATOM 490 CA THR A 27 0.091 10.551 -4.261 1.00 0.00 C +ATOM 491 C THR A 27 -0.743 10.880 -3.030 1.00 0.00 C +ATOM 492 O THR A 27 -1.479 10.032 -2.527 1.00 0.00 O +ATOM 493 CB THR A 27 -0.553 11.172 -5.503 1.00 0.00 C +ATOM 494 OG1 THR A 27 -1.962 11.018 -5.465 1.00 0.00 O +ATOM 495 CG2 THR A 27 -0.059 10.574 -6.804 1.00 0.00 C +ATOM 496 H THR A 27 -0.494 8.616 -4.883 1.00 0.00 H +ATOM 497 HA THR A 27 1.083 10.958 -4.133 1.00 0.00 H +ATOM 498 HB THR A 27 -0.329 12.229 -5.519 1.00 0.00 H +ATOM 499 HG1 THR A 27 -2.370 11.858 -5.243 1.00 0.00 H +ATOM 500 HG21 THR A 27 0.590 9.738 -6.593 1.00 0.00 H +ATOM 501 HG22 THR A 27 0.487 11.323 -7.358 1.00 0.00 H +ATOM 502 HG23 THR A 27 -0.902 10.238 -7.388 1.00 0.00 H +ATOM 503 N GLU A 28 -0.637 12.114 -2.551 1.00 0.00 N +ATOM 504 CA GLU A 28 -1.400 12.539 -1.383 1.00 0.00 C +ATOM 505 C GLU A 28 -2.886 12.274 -1.597 1.00 0.00 C +ATOM 506 O GLU A 28 -3.555 11.682 -0.749 1.00 0.00 O +ATOM 507 CB GLU A 28 -1.168 14.027 -1.109 1.00 0.00 C +ATOM 508 CG GLU A 28 -1.108 14.373 0.370 1.00 0.00 C +ATOM 509 CD GLU A 28 -2.441 14.851 0.913 1.00 0.00 C +ATOM 510 OE1 GLU A 28 -2.732 16.060 0.794 1.00 0.00 O +ATOM 511 OE2 GLU A 28 -3.194 14.016 1.458 1.00 0.00 O +ATOM 512 H GLU A 28 -0.042 12.753 -2.995 1.00 0.00 H +ATOM 513 HA GLU A 28 -1.060 11.964 -0.534 1.00 0.00 H +ATOM 514 HB2 GLU A 28 -0.235 14.324 -1.563 1.00 0.00 H +ATOM 515 HB3 GLU A 28 -1.972 14.593 -1.556 1.00 0.00 H +ATOM 516 HG2 GLU A 28 -0.807 13.495 0.921 1.00 0.00 H +ATOM 517 HG3 GLU A 28 -0.377 15.155 0.514 1.00 0.00 H +ATOM 518 N ARG A 29 -3.390 12.716 -2.743 1.00 0.00 N +ATOM 519 CA ARG A 29 -4.793 12.533 -3.090 1.00 0.00 C +ATOM 520 C ARG A 29 -5.172 11.054 -3.123 1.00 0.00 C +ATOM 521 O ARG A 29 -6.256 10.678 -2.678 1.00 0.00 O +ATOM 522 CB ARG A 29 -5.090 13.177 -4.446 1.00 0.00 C +ATOM 523 CG ARG A 29 -6.303 14.093 -4.431 1.00 0.00 C +ATOM 524 CD ARG A 29 -7.519 13.422 -5.049 1.00 0.00 C +ATOM 525 NE ARG A 29 -8.729 14.223 -4.886 1.00 0.00 N +ATOM 526 CZ ARG A 29 -9.029 15.277 -5.642 1.00 0.00 C +ATOM 527 NH1 ARG A 29 -8.211 15.659 -6.615 1.00 0.00 N +ATOM 528 NH2 ARG A 29 -10.150 15.951 -5.425 1.00 0.00 N +ATOM 529 H ARG A 29 -2.801 13.177 -3.376 1.00 0.00 H +ATOM 530 HA ARG A 29 -5.385 13.025 -2.334 1.00 0.00 H +ATOM 531 HB2 ARG A 29 -4.232 13.757 -4.751 1.00 0.00 H +ATOM 532 HB3 ARG A 29 -5.263 12.397 -5.173 1.00 0.00 H +ATOM 533 HG2 ARG A 29 -6.531 14.356 -3.409 1.00 0.00 H +ATOM 534 HG3 ARG A 29 -6.073 14.988 -4.991 1.00 0.00 H +ATOM 535 HD2 ARG A 29 -7.336 13.275 -6.103 1.00 0.00 H +ATOM 536 HD3 ARG A 29 -7.666 12.463 -4.573 1.00 0.00 H +ATOM 537 HE ARG A 29 -9.352 13.963 -4.175 1.00 0.00 H +ATOM 538 HH11 ARG A 29 -7.364 15.155 -6.785 1.00 0.00 H +ATOM 539 HH12 ARG A 29 -8.442 16.451 -7.180 1.00 0.00 H +ATOM 540 HH21 ARG A 29 -10.770 15.667 -4.693 1.00 0.00 H +ATOM 541 HH22 ARG A 29 -10.376 16.743 -5.993 1.00 0.00 H +ATOM 542 N ARG A 30 -4.284 10.218 -3.660 1.00 0.00 N +ATOM 543 CA ARG A 30 -4.546 8.787 -3.759 1.00 0.00 C +ATOM 544 C ARG A 30 -4.591 8.138 -2.382 1.00 0.00 C +ATOM 545 O ARG A 30 -5.454 7.304 -2.106 1.00 0.00 O +ATOM 546 CB ARG A 30 -3.480 8.110 -4.621 1.00 0.00 C +ATOM 547 CG ARG A 30 -3.617 8.417 -6.104 1.00 0.00 C +ATOM 548 CD ARG A 30 -3.191 7.237 -6.962 1.00 0.00 C +ATOM 549 NE ARG A 30 -3.906 7.205 -8.236 1.00 0.00 N +ATOM 550 CZ ARG A 30 -3.398 6.712 -9.365 1.00 0.00 C +ATOM 551 NH1 ARG A 30 -2.177 6.191 -9.384 1.00 0.00 N +ATOM 552 NH2 ARG A 30 -4.118 6.735 -10.478 1.00 0.00 N +ATOM 553 H ARG A 30 -3.436 10.571 -4.004 1.00 0.00 H +ATOM 554 HA ARG A 30 -5.508 8.660 -4.232 1.00 0.00 H +ATOM 555 HB2 ARG A 30 -2.505 8.442 -4.295 1.00 0.00 H +ATOM 556 HB3 ARG A 30 -3.550 7.041 -4.489 1.00 0.00 H +ATOM 557 HG2 ARG A 30 -4.649 8.651 -6.319 1.00 0.00 H +ATOM 558 HG3 ARG A 30 -2.996 9.267 -6.344 1.00 0.00 H +ATOM 559 HD2 ARG A 30 -2.132 7.315 -7.154 1.00 0.00 H +ATOM 560 HD3 ARG A 30 -3.393 6.323 -6.422 1.00 0.00 H +ATOM 561 HE ARG A 30 -4.813 7.576 -8.254 1.00 0.00 H +ATOM 562 HH11 ARG A 30 -1.629 6.165 -8.549 1.00 0.00 H +ATOM 563 HH12 ARG A 30 -1.805 5.824 -10.236 1.00 0.00 H +ATOM 564 HH21 ARG A 30 -5.040 7.122 -10.470 1.00 0.00 H +ATOM 565 HH22 ARG A 30 -3.738 6.366 -11.326 1.00 0.00 H +ATOM 566 N ARG A 31 -3.660 8.523 -1.519 1.00 0.00 N +ATOM 567 CA ARG A 31 -3.602 7.974 -0.172 1.00 0.00 C +ATOM 568 C ARG A 31 -4.899 8.255 0.583 1.00 0.00 C +ATOM 569 O ARG A 31 -5.519 7.347 1.141 1.00 0.00 O +ATOM 570 CB ARG A 31 -2.416 8.568 0.591 1.00 0.00 C +ATOM 571 CG ARG A 31 -1.816 7.623 1.619 1.00 0.00 C +ATOM 572 CD ARG A 31 -0.465 8.120 2.112 1.00 0.00 C +ATOM 573 NE ARG A 31 -0.471 8.385 3.550 1.00 0.00 N +ATOM 574 CZ ARG A 31 -0.134 9.552 4.100 1.00 0.00 C +ATOM 575 NH1 ARG A 31 0.239 10.577 3.342 1.00 0.00 N +ATOM 576 NH2 ARG A 31 -0.170 9.695 5.418 1.00 0.00 N +ATOM 577 H ARG A 31 -2.997 9.192 -1.793 1.00 0.00 H +ATOM 578 HA ARG A 31 -3.467 6.905 -0.257 1.00 0.00 H +ATOM 579 HB2 ARG A 31 -1.644 8.832 -0.117 1.00 0.00 H +ATOM 580 HB3 ARG A 31 -2.744 9.461 1.103 1.00 0.00 H +ATOM 581 HG2 ARG A 31 -2.488 7.547 2.460 1.00 0.00 H +ATOM 582 HG3 ARG A 31 -1.689 6.649 1.168 1.00 0.00 H +ATOM 583 HD2 ARG A 31 0.279 7.366 1.899 1.00 0.00 H +ATOM 584 HD3 ARG A 31 -0.216 9.027 1.586 1.00 0.00 H +ATOM 585 HE ARG A 31 -0.741 7.651 4.141 1.00 0.00 H +ATOM 586 HH11 ARG A 31 0.270 10.483 2.349 1.00 0.00 H +ATOM 587 HH12 ARG A 31 0.488 11.447 3.768 1.00 0.00 H +ATOM 588 HH21 ARG A 31 -0.450 8.928 5.996 1.00 0.00 H +ATOM 589 HH22 ARG A 31 0.082 10.568 5.833 1.00 0.00 H +ATOM 590 N GLN A 32 -5.302 9.522 0.595 1.00 0.00 N +ATOM 591 CA GLN A 32 -6.521 9.935 1.282 1.00 0.00 C +ATOM 592 C GLN A 32 -7.766 9.370 0.602 1.00 0.00 C +ATOM 593 O GLN A 32 -8.738 9.016 1.268 1.00 0.00 O +ATOM 594 CB GLN A 32 -6.606 11.462 1.336 1.00 0.00 C +ATOM 595 CG GLN A 32 -7.736 11.979 2.212 1.00 0.00 C +ATOM 596 CD GLN A 32 -8.669 12.917 1.471 1.00 0.00 C +ATOM 597 OE1 GLN A 32 -8.361 14.093 1.278 1.00 0.00 O +ATOM 598 NE2 GLN A 32 -9.817 12.400 1.050 1.00 0.00 N +ATOM 599 H GLN A 32 -4.763 10.199 0.133 1.00 0.00 H +ATOM 600 HA GLN A 32 -6.476 9.554 2.291 1.00 0.00 H +ATOM 601 HB2 GLN A 32 -5.675 11.849 1.723 1.00 0.00 H +ATOM 602 HB3 GLN A 32 -6.753 11.838 0.335 1.00 0.00 H +ATOM 603 HG2 GLN A 32 -8.310 11.138 2.572 1.00 0.00 H +ATOM 604 HG3 GLN A 32 -7.310 12.508 3.052 1.00 0.00 H +ATOM 605 HE21 GLN A 32 -9.996 11.455 1.240 1.00 0.00 H +ATOM 606 HE22 GLN A 32 -10.439 12.984 0.568 1.00 0.00 H +ATOM 607 N GLN A 33 -7.735 9.290 -0.726 1.00 0.00 N +ATOM 608 CA GLN A 33 -8.871 8.768 -1.480 1.00 0.00 C +ATOM 609 C GLN A 33 -9.073 7.285 -1.198 1.00 0.00 C +ATOM 610 O GLN A 33 -10.193 6.836 -0.962 1.00 0.00 O +ATOM 611 CB GLN A 33 -8.670 8.988 -2.981 1.00 0.00 C +ATOM 612 CG GLN A 33 -9.419 10.194 -3.524 1.00 0.00 C +ATOM 613 CD GLN A 33 -10.873 9.888 -3.825 1.00 0.00 C +ATOM 614 OE1 GLN A 33 -11.181 9.044 -4.667 1.00 0.00 O +ATOM 615 NE2 GLN A 33 -11.777 10.575 -3.137 1.00 0.00 N +ATOM 616 H GLN A 33 -6.935 9.588 -1.207 1.00 0.00 H +ATOM 617 HA GLN A 33 -9.752 9.305 -1.161 1.00 0.00 H +ATOM 618 HB2 GLN A 33 -7.618 9.125 -3.177 1.00 0.00 H +ATOM 619 HB3 GLN A 33 -9.014 8.112 -3.511 1.00 0.00 H +ATOM 620 HG2 GLN A 33 -9.378 10.987 -2.792 1.00 0.00 H +ATOM 621 HG3 GLN A 33 -8.938 10.520 -4.435 1.00 0.00 H +ATOM 622 HE21 GLN A 33 -11.460 11.232 -2.482 1.00 0.00 H +ATOM 623 HE22 GLN A 33 -12.725 10.398 -3.311 1.00 0.00 H +ATOM 624 N LEU A 34 -7.982 6.528 -1.225 1.00 0.00 N +ATOM 625 CA LEU A 34 -8.045 5.095 -0.972 1.00 0.00 C +ATOM 626 C LEU A 34 -8.530 4.814 0.446 1.00 0.00 C +ATOM 627 O LEU A 34 -9.366 3.937 0.663 1.00 0.00 O +ATOM 628 CB LEU A 34 -6.674 4.455 -1.197 1.00 0.00 C +ATOM 629 CG LEU A 34 -6.407 3.989 -2.629 1.00 0.00 C +ATOM 630 CD1 LEU A 34 -4.933 4.142 -2.978 1.00 0.00 C +ATOM 631 CD2 LEU A 34 -6.855 2.546 -2.811 1.00 0.00 C +ATOM 632 H LEU A 34 -7.116 6.943 -1.420 1.00 0.00 H +ATOM 633 HA LEU A 34 -8.749 4.667 -1.670 1.00 0.00 H +ATOM 634 HB2 LEU A 34 -5.916 5.176 -0.926 1.00 0.00 H +ATOM 635 HB3 LEU A 34 -6.586 3.601 -0.542 1.00 0.00 H +ATOM 636 HG LEU A 34 -6.976 4.604 -3.312 1.00 0.00 H +ATOM 637 HD11 LEU A 34 -4.839 4.659 -3.922 1.00 0.00 H +ATOM 638 HD12 LEU A 34 -4.477 3.166 -3.056 1.00 0.00 H +ATOM 639 HD13 LEU A 34 -4.437 4.711 -2.206 1.00 0.00 H +ATOM 640 HD21 LEU A 34 -7.925 2.483 -2.681 1.00 0.00 H +ATOM 641 HD22 LEU A 34 -6.365 1.923 -2.077 1.00 0.00 H +ATOM 642 HD23 LEU A 34 -6.592 2.210 -3.803 1.00 0.00 H +ATOM 643 N SER A 35 -8.004 5.565 1.409 1.00 0.00 N +ATOM 644 CA SER A 35 -8.392 5.395 2.804 1.00 0.00 C +ATOM 645 C SER A 35 -9.884 5.651 2.985 1.00 0.00 C +ATOM 646 O SER A 35 -10.586 4.874 3.628 1.00 0.00 O +ATOM 647 CB SER A 35 -7.590 6.341 3.700 1.00 0.00 C +ATOM 648 OG SER A 35 -7.198 7.504 2.991 1.00 0.00 O +ATOM 649 H SER A 35 -7.345 6.254 1.177 1.00 0.00 H +ATOM 650 HA SER A 35 -8.176 4.375 3.087 1.00 0.00 H +ATOM 651 HB2 SER A 35 -8.198 6.637 4.542 1.00 0.00 H +ATOM 652 HB3 SER A 35 -6.706 5.835 4.055 1.00 0.00 H +ATOM 653 HG SER A 35 -7.976 7.947 2.647 1.00 0.00 H +ATOM 654 N SER A 36 -10.356 6.754 2.418 1.00 0.00 N +ATOM 655 CA SER A 36 -11.764 7.128 2.515 1.00 0.00 C +ATOM 656 C SER A 36 -12.655 6.196 1.693 1.00 0.00 C +ATOM 657 O SER A 36 -13.779 5.887 2.089 1.00 0.00 O +ATOM 658 CB SER A 36 -11.959 8.572 2.050 1.00 0.00 C +ATOM 659 OG SER A 36 -13.317 8.964 2.155 1.00 0.00 O +ATOM 660 H SER A 36 -9.740 7.335 1.923 1.00 0.00 H +ATOM 661 HA SER A 36 -12.053 7.055 3.553 1.00 0.00 H +ATOM 662 HB2 SER A 36 -11.360 9.229 2.662 1.00 0.00 H +ATOM 663 HB3 SER A 36 -11.650 8.661 1.019 1.00 0.00 H +ATOM 664 HG SER A 36 -13.751 8.846 1.307 1.00 0.00 H +ATOM 665 N GLU A 37 -12.153 5.770 0.538 1.00 0.00 N +ATOM 666 CA GLU A 37 -12.910 4.896 -0.356 1.00 0.00 C +ATOM 667 C GLU A 37 -13.165 3.521 0.260 1.00 0.00 C +ATOM 668 O GLU A 37 -14.311 3.082 0.358 1.00 0.00 O +ATOM 669 CB GLU A 37 -12.171 4.735 -1.686 1.00 0.00 C +ATOM 670 CG GLU A 37 -13.035 4.159 -2.796 1.00 0.00 C +ATOM 671 CD GLU A 37 -14.145 5.101 -3.219 1.00 0.00 C +ATOM 672 OE1 GLU A 37 -15.087 5.303 -2.424 1.00 0.00 O +ATOM 673 OE2 GLU A 37 -14.073 5.635 -4.345 1.00 0.00 O +ATOM 674 H GLU A 37 -11.258 6.065 0.270 1.00 0.00 H +ATOM 675 HA GLU A 37 -13.861 5.368 -0.546 1.00 0.00 H +ATOM 676 HB2 GLU A 37 -11.812 5.703 -2.004 1.00 0.00 H +ATOM 677 HB3 GLU A 37 -11.326 4.078 -1.538 1.00 0.00 H +ATOM 678 HG2 GLU A 37 -12.410 3.956 -3.653 1.00 0.00 H +ATOM 679 HG3 GLU A 37 -13.477 3.237 -2.448 1.00 0.00 H +ATOM 680 N LEU A 38 -12.097 2.838 0.658 1.00 0.00 N +ATOM 681 CA LEU A 38 -12.221 1.506 1.244 1.00 0.00 C +ATOM 682 C LEU A 38 -12.496 1.581 2.741 1.00 0.00 C +ATOM 683 O LEU A 38 -13.200 0.738 3.295 1.00 0.00 O +ATOM 684 CB LEU A 38 -10.947 0.697 0.991 1.00 0.00 C +ATOM 685 CG LEU A 38 -10.542 0.565 -0.478 1.00 0.00 C +ATOM 686 CD1 LEU A 38 -9.066 0.219 -0.596 1.00 0.00 C +ATOM 687 CD2 LEU A 38 -11.396 -0.484 -1.173 1.00 0.00 C +ATOM 688 H LEU A 38 -11.207 3.231 0.544 1.00 0.00 H +ATOM 689 HA LEU A 38 -13.050 1.010 0.763 1.00 0.00 H +ATOM 690 HB2 LEU A 38 -10.135 1.167 1.527 1.00 0.00 H +ATOM 691 HB3 LEU A 38 -11.092 -0.296 1.391 1.00 0.00 H +ATOM 692 HG LEU A 38 -10.703 1.511 -0.974 1.00 0.00 H +ATOM 693 HD11 LEU A 38 -8.813 0.073 -1.636 1.00 0.00 H +ATOM 694 HD12 LEU A 38 -8.864 -0.688 -0.046 1.00 0.00 H +ATOM 695 HD13 LEU A 38 -8.473 1.025 -0.191 1.00 0.00 H +ATOM 696 HD21 LEU A 38 -10.882 -1.434 -1.159 1.00 0.00 H +ATOM 697 HD22 LEU A 38 -11.572 -0.185 -2.196 1.00 0.00 H +ATOM 698 HD23 LEU A 38 -12.341 -0.579 -0.658 1.00 0.00 H +ATOM 699 N GLY A 39 -11.936 2.592 3.391 1.00 0.00 N +ATOM 700 CA GLY A 39 -12.132 2.755 4.819 1.00 0.00 C +ATOM 701 C GLY A 39 -10.942 2.273 5.624 1.00 0.00 C +ATOM 702 O GLY A 39 -11.102 1.574 6.624 1.00 0.00 O +ATOM 703 H GLY A 39 -11.383 3.234 2.898 1.00 0.00 H +ATOM 704 HA2 GLY A 39 -12.297 3.801 5.032 1.00 0.00 H +ATOM 705 HA3 GLY A 39 -13.006 2.195 5.118 1.00 0.00 H +ATOM 706 N LEU A 40 -9.744 2.646 5.184 1.00 0.00 N +ATOM 707 CA LEU A 40 -8.520 2.247 5.869 1.00 0.00 C +ATOM 708 C LEU A 40 -7.697 3.467 6.265 1.00 0.00 C +ATOM 709 O LEU A 40 -7.971 4.583 5.823 1.00 0.00 O +ATOM 710 CB LEU A 40 -7.688 1.325 4.975 1.00 0.00 C +ATOM 711 CG LEU A 40 -8.262 -0.080 4.780 1.00 0.00 C +ATOM 712 CD1 LEU A 40 -7.962 -0.589 3.378 1.00 0.00 C +ATOM 713 CD2 LEU A 40 -7.706 -1.034 5.829 1.00 0.00 C +ATOM 714 H LEU A 40 -9.682 3.202 4.380 1.00 0.00 H +ATOM 715 HA LEU A 40 -8.800 1.710 6.763 1.00 0.00 H +ATOM 716 HB2 LEU A 40 -7.592 1.791 4.005 1.00 0.00 H +ATOM 717 HB3 LEU A 40 -6.704 1.230 5.408 1.00 0.00 H +ATOM 718 HG LEU A 40 -9.335 -0.042 4.898 1.00 0.00 H +ATOM 719 HD11 LEU A 40 -8.708 -0.215 2.692 1.00 0.00 H +ATOM 720 HD12 LEU A 40 -7.980 -1.669 3.376 1.00 0.00 H +ATOM 721 HD13 LEU A 40 -6.986 -0.244 3.071 1.00 0.00 H +ATOM 722 HD21 LEU A 40 -7.089 -0.486 6.526 1.00 0.00 H +ATOM 723 HD22 LEU A 40 -7.112 -1.796 5.346 1.00 0.00 H +ATOM 724 HD23 LEU A 40 -8.523 -1.499 6.361 1.00 0.00 H +ATOM 725 N ASN A 41 -6.688 3.248 7.101 1.00 0.00 N +ATOM 726 CA ASN A 41 -5.825 4.331 7.557 1.00 0.00 C +ATOM 727 C ASN A 41 -4.770 4.666 6.506 1.00 0.00 C +ATOM 728 O ASN A 41 -4.114 3.776 5.960 1.00 0.00 O +ATOM 729 CB ASN A 41 -5.152 3.952 8.879 1.00 0.00 C +ATOM 730 CG ASN A 41 -5.443 4.947 9.984 1.00 0.00 C +ATOM 731 OD1 ASN A 41 -6.546 4.983 10.529 1.00 0.00 O +ATOM 732 ND2 ASN A 41 -4.451 5.763 10.322 1.00 0.00 N +ATOM 733 H ASN A 41 -6.520 2.336 7.418 1.00 0.00 H +ATOM 734 HA ASN A 41 -6.444 5.201 7.716 1.00 0.00 H +ATOM 735 HB2 ASN A 41 -5.509 2.982 9.191 1.00 0.00 H +ATOM 736 HB3 ASN A 41 -4.082 3.905 8.733 1.00 0.00 H +ATOM 737 HD21 ASN A 41 -3.599 5.678 9.846 1.00 0.00 H +ATOM 738 HD22 ASN A 41 -4.612 6.417 11.035 1.00 0.00 H +ATOM 739 N GLU A 42 -4.611 5.957 6.229 1.00 0.00 N +ATOM 740 CA GLU A 42 -3.635 6.417 5.246 1.00 0.00 C +ATOM 741 C GLU A 42 -2.255 5.837 5.538 1.00 0.00 C +ATOM 742 O GLU A 42 -1.495 5.523 4.621 1.00 0.00 O +ATOM 743 CB GLU A 42 -3.570 7.946 5.241 1.00 0.00 C +ATOM 744 CG GLU A 42 -4.793 8.606 4.624 1.00 0.00 C +ATOM 745 CD GLU A 42 -4.797 10.111 4.806 1.00 0.00 C +ATOM 746 OE1 GLU A 42 -4.255 10.817 3.930 1.00 0.00 O +ATOM 747 OE2 GLU A 42 -5.343 10.584 5.825 1.00 0.00 O +ATOM 748 H GLU A 42 -5.162 6.617 6.698 1.00 0.00 H +ATOM 749 HA GLU A 42 -3.958 6.076 4.274 1.00 0.00 H +ATOM 750 HB2 GLU A 42 -3.476 8.293 6.259 1.00 0.00 H +ATOM 751 HB3 GLU A 42 -2.699 8.256 4.683 1.00 0.00 H +ATOM 752 HG2 GLU A 42 -4.809 8.387 3.566 1.00 0.00 H +ATOM 753 HG3 GLU A 42 -5.679 8.199 5.088 1.00 0.00 H +ATOM 754 N ALA A 43 -1.940 5.694 6.821 1.00 0.00 N +ATOM 755 CA ALA A 43 -0.654 5.149 7.237 1.00 0.00 C +ATOM 756 C ALA A 43 -0.509 3.695 6.799 1.00 0.00 C +ATOM 757 O ALA A 43 0.576 3.257 6.414 1.00 0.00 O +ATOM 758 CB ALA A 43 -0.494 5.265 8.746 1.00 0.00 C +ATOM 759 H ALA A 43 -2.590 5.961 7.504 1.00 0.00 H +ATOM 760 HA ALA A 43 0.124 5.735 6.770 1.00 0.00 H +ATOM 761 HB1 ALA A 43 0.371 4.701 9.061 1.00 0.00 H +ATOM 762 HB2 ALA A 43 -1.376 4.875 9.232 1.00 0.00 H +ATOM 763 HB3 ALA A 43 -0.365 6.303 9.015 1.00 0.00 H +ATOM 764 N GLN A 44 -1.610 2.952 6.855 1.00 0.00 N +ATOM 765 CA GLN A 44 -1.598 1.549 6.461 1.00 0.00 C +ATOM 766 C GLN A 44 -1.411 1.420 4.956 1.00 0.00 C +ATOM 767 O GLN A 44 -0.656 0.570 4.484 1.00 0.00 O +ATOM 768 CB GLN A 44 -2.897 0.861 6.886 1.00 0.00 C +ATOM 769 CG GLN A 44 -3.292 1.139 8.328 1.00 0.00 C +ATOM 770 CD GLN A 44 -3.601 -0.127 9.103 1.00 0.00 C +ATOM 771 OE1 GLN A 44 -4.360 -0.981 8.644 1.00 0.00 O +ATOM 772 NE2 GLN A 44 -3.014 -0.254 10.288 1.00 0.00 N +ATOM 773 H GLN A 44 -2.447 3.355 7.167 1.00 0.00 H +ATOM 774 HA GLN A 44 -0.767 1.071 6.958 1.00 0.00 H +ATOM 775 HB2 GLN A 44 -3.697 1.202 6.245 1.00 0.00 H +ATOM 776 HB3 GLN A 44 -2.782 -0.206 6.766 1.00 0.00 H +ATOM 777 HG2 GLN A 44 -2.480 1.653 8.818 1.00 0.00 H +ATOM 778 HG3 GLN A 44 -4.169 1.768 8.331 1.00 0.00 H +ATOM 779 HE21 GLN A 44 -2.423 0.467 10.591 1.00 0.00 H +ATOM 780 HE22 GLN A 44 -3.197 -1.062 10.811 1.00 0.00 H +ATOM 781 N ILE A 45 -2.095 2.277 4.205 1.00 0.00 N +ATOM 782 CA ILE A 45 -1.988 2.261 2.753 1.00 0.00 C +ATOM 783 C ILE A 45 -0.576 2.634 2.316 1.00 0.00 C +ATOM 784 O ILE A 45 0.007 1.990 1.444 1.00 0.00 O +ATOM 785 CB ILE A 45 -2.994 3.229 2.101 1.00 0.00 C +ATOM 786 CG1 ILE A 45 -4.405 2.971 2.633 1.00 0.00 C +ATOM 787 CG2 ILE A 45 -2.959 3.090 0.585 1.00 0.00 C +ATOM 788 CD1 ILE A 45 -5.165 4.235 2.966 1.00 0.00 C +ATOM 789 H ILE A 45 -2.676 2.939 4.638 1.00 0.00 H +ATOM 790 HA ILE A 45 -2.208 1.259 2.412 1.00 0.00 H +ATOM 791 HB ILE A 45 -2.702 4.238 2.351 1.00 0.00 H +ATOM 792 HG12 ILE A 45 -4.971 2.431 1.889 1.00 0.00 H +ATOM 793 HG13 ILE A 45 -4.341 2.375 3.532 1.00 0.00 H +ATOM 794 HG21 ILE A 45 -3.807 2.506 0.258 1.00 0.00 H +ATOM 795 HG22 ILE A 45 -2.046 2.596 0.289 1.00 0.00 H +ATOM 796 HG23 ILE A 45 -3.001 4.070 0.133 1.00 0.00 H +ATOM 797 HD11 ILE A 45 -6.201 4.119 2.681 1.00 0.00 H +ATOM 798 HD12 ILE A 45 -4.735 5.067 2.428 1.00 0.00 H +ATOM 799 HD13 ILE A 45 -5.104 4.424 4.028 1.00 0.00 H +ATOM 800 N LYS A 46 -0.030 3.679 2.933 1.00 0.00 N +ATOM 801 CA LYS A 46 1.317 4.138 2.613 1.00 0.00 C +ATOM 802 C LYS A 46 2.338 3.029 2.844 1.00 0.00 C +ATOM 803 O LYS A 46 3.204 2.785 2.004 1.00 0.00 O +ATOM 804 CB LYS A 46 1.677 5.362 3.455 1.00 0.00 C +ATOM 805 CG LYS A 46 3.000 5.999 3.065 1.00 0.00 C +ATOM 806 CD LYS A 46 2.808 7.082 2.016 1.00 0.00 C +ATOM 807 CE LYS A 46 4.137 7.678 1.580 1.00 0.00 C +ATOM 808 NZ LYS A 46 4.774 8.475 2.667 1.00 0.00 N +ATOM 809 H LYS A 46 -0.544 4.150 3.622 1.00 0.00 H +ATOM 810 HA LYS A 46 1.333 4.413 1.569 1.00 0.00 H +ATOM 811 HB2 LYS A 46 0.899 6.103 3.344 1.00 0.00 H +ATOM 812 HB3 LYS A 46 1.736 5.067 4.492 1.00 0.00 H +ATOM 813 HG2 LYS A 46 3.450 6.438 3.942 1.00 0.00 H +ATOM 814 HG3 LYS A 46 3.653 5.236 2.666 1.00 0.00 H +ATOM 815 HD2 LYS A 46 2.318 6.653 1.154 1.00 0.00 H +ATOM 816 HD3 LYS A 46 2.191 7.866 2.430 1.00 0.00 H +ATOM 817 HE2 LYS A 46 4.802 6.876 1.299 1.00 0.00 H +ATOM 818 HE3 LYS A 46 3.967 8.319 0.728 1.00 0.00 H +ATOM 819 HZ1 LYS A 46 5.067 9.404 2.303 1.00 0.00 H +ATOM 820 HZ2 LYS A 46 5.611 7.978 3.031 1.00 0.00 H +ATOM 821 HZ3 LYS A 46 4.102 8.617 3.448 1.00 0.00 H +ATOM 822 N ILE A 47 2.228 2.355 3.986 1.00 0.00 N +ATOM 823 CA ILE A 47 3.142 1.268 4.317 1.00 0.00 C +ATOM 824 C ILE A 47 2.946 0.093 3.367 1.00 0.00 C +ATOM 825 O ILE A 47 3.907 -0.573 2.979 1.00 0.00 O +ATOM 826 CB ILE A 47 2.947 0.788 5.771 1.00 0.00 C +ATOM 827 CG1 ILE A 47 3.168 1.945 6.746 1.00 0.00 C +ATOM 828 CG2 ILE A 47 3.894 -0.363 6.091 1.00 0.00 C +ATOM 829 CD1 ILE A 47 2.564 1.709 8.113 1.00 0.00 C +ATOM 830 H ILE A 47 1.514 2.591 4.618 1.00 0.00 H +ATOM 831 HA ILE A 47 4.152 1.638 4.214 1.00 0.00 H +ATOM 832 HB ILE A 47 1.934 0.428 5.873 1.00 0.00 H +ATOM 833 HG12 ILE A 47 4.229 2.099 6.876 1.00 0.00 H +ATOM 834 HG13 ILE A 47 2.727 2.842 6.337 1.00 0.00 H +ATOM 835 HG21 ILE A 47 3.624 -0.795 7.043 1.00 0.00 H +ATOM 836 HG22 ILE A 47 4.907 0.008 6.138 1.00 0.00 H +ATOM 837 HG23 ILE A 47 3.821 -1.116 5.320 1.00 0.00 H +ATOM 838 HD11 ILE A 47 1.492 1.617 8.022 1.00 0.00 H +ATOM 839 HD12 ILE A 47 2.801 2.540 8.760 1.00 0.00 H +ATOM 840 HD13 ILE A 47 2.968 0.799 8.532 1.00 0.00 H +ATOM 841 N TRP A 48 1.696 -0.155 2.993 1.00 0.00 N +ATOM 842 CA TRP A 48 1.376 -1.248 2.085 1.00 0.00 C +ATOM 843 C TRP A 48 2.074 -1.054 0.744 1.00 0.00 C +ATOM 844 O TRP A 48 2.631 -1.996 0.180 1.00 0.00 O +ATOM 845 CB TRP A 48 -0.136 -1.345 1.875 1.00 0.00 C +ATOM 846 CG TRP A 48 -0.536 -2.490 0.998 1.00 0.00 C +ATOM 847 CD1 TRP A 48 -0.822 -3.765 1.396 1.00 0.00 C +ATOM 848 CD2 TRP A 48 -0.688 -2.469 -0.426 1.00 0.00 C +ATOM 849 NE1 TRP A 48 -1.143 -4.537 0.307 1.00 0.00 N +ATOM 850 CE2 TRP A 48 -1.069 -3.766 -0.823 1.00 0.00 C +ATOM 851 CE3 TRP A 48 -0.542 -1.480 -1.406 1.00 0.00 C +ATOM 852 CZ2 TRP A 48 -1.304 -4.099 -2.154 1.00 0.00 C +ATOM 853 CZ3 TRP A 48 -0.775 -1.813 -2.726 1.00 0.00 C +ATOM 854 CH2 TRP A 48 -1.152 -3.112 -3.089 1.00 0.00 C +ATOM 855 H TRP A 48 0.973 0.412 3.335 1.00 0.00 H +ATOM 856 HA TRP A 48 1.729 -2.166 2.532 1.00 0.00 H +ATOM 857 HB2 TRP A 48 -0.619 -1.472 2.833 1.00 0.00 H +ATOM 858 HB3 TRP A 48 -0.489 -0.432 1.417 1.00 0.00 H +ATOM 859 HD1 TRP A 48 -0.794 -4.103 2.421 1.00 0.00 H +ATOM 860 HE1 TRP A 48 -1.386 -5.486 0.334 1.00 0.00 H +ATOM 861 HE3 TRP A 48 -0.253 -0.470 -1.146 1.00 0.00 H +ATOM 862 HZ2 TRP A 48 -1.597 -5.096 -2.451 1.00 0.00 H +ATOM 863 HZ3 TRP A 48 -0.666 -1.064 -3.497 1.00 0.00 H +ATOM 864 HH2 TRP A 48 -1.322 -3.326 -4.133 1.00 0.00 H +ATOM 865 N PHE A 49 2.046 0.176 0.242 1.00 0.00 N +ATOM 866 CA PHE A 49 2.682 0.497 -1.029 1.00 0.00 C +ATOM 867 C PHE A 49 4.199 0.411 -0.903 1.00 0.00 C +ATOM 868 O PHE A 49 4.877 -0.118 -1.784 1.00 0.00 O +ATOM 869 CB PHE A 49 2.269 1.895 -1.493 1.00 0.00 C +ATOM 870 CG PHE A 49 1.265 1.881 -2.611 1.00 0.00 C +ATOM 871 CD1 PHE A 49 1.681 1.820 -3.930 1.00 0.00 C +ATOM 872 CD2 PHE A 49 -0.093 1.928 -2.341 1.00 0.00 C +ATOM 873 CE1 PHE A 49 0.761 1.805 -4.961 1.00 0.00 C +ATOM 874 CE2 PHE A 49 -1.018 1.914 -3.368 1.00 0.00 C +ATOM 875 CZ PHE A 49 -0.591 1.852 -4.679 1.00 0.00 C +ATOM 876 H PHE A 49 1.590 0.886 0.741 1.00 0.00 H +ATOM 877 HA PHE A 49 2.351 -0.229 -1.758 1.00 0.00 H +ATOM 878 HB2 PHE A 49 1.832 2.428 -0.662 1.00 0.00 H +ATOM 879 HB3 PHE A 49 3.143 2.428 -1.837 1.00 0.00 H +ATOM 880 HD1 PHE A 49 2.737 1.783 -4.152 1.00 0.00 H +ATOM 881 HD2 PHE A 49 -0.429 1.977 -1.316 1.00 0.00 H +ATOM 882 HE1 PHE A 49 1.098 1.758 -5.984 1.00 0.00 H +ATOM 883 HE2 PHE A 49 -2.074 1.951 -3.145 1.00 0.00 H +ATOM 884 HZ PHE A 49 -1.311 1.841 -5.484 1.00 0.00 H +ATOM 885 N GLN A 50 4.725 0.930 0.202 1.00 0.00 N +ATOM 886 CA GLN A 50 6.161 0.906 0.449 1.00 0.00 C +ATOM 887 C GLN A 50 6.660 -0.530 0.562 1.00 0.00 C +ATOM 888 O GLN A 50 7.738 -0.865 0.071 1.00 0.00 O +ATOM 889 CB GLN A 50 6.494 1.678 1.728 1.00 0.00 C +ATOM 890 CG GLN A 50 7.982 1.917 1.925 1.00 0.00 C +ATOM 891 CD GLN A 50 8.303 2.504 3.286 1.00 0.00 C +ATOM 892 OE1 GLN A 50 8.997 1.886 4.093 1.00 0.00 O +ATOM 893 NE2 GLN A 50 7.797 3.704 3.547 1.00 0.00 N +ATOM 894 H GLN A 50 4.131 1.333 0.870 1.00 0.00 H +ATOM 895 HA GLN A 50 6.650 1.382 -0.388 1.00 0.00 H +ATOM 896 HB2 GLN A 50 5.998 2.637 1.695 1.00 0.00 H +ATOM 897 HB3 GLN A 50 6.125 1.121 2.577 1.00 0.00 H +ATOM 898 HG2 GLN A 50 8.501 0.975 1.825 1.00 0.00 H +ATOM 899 HG3 GLN A 50 8.328 2.600 1.163 1.00 0.00 H +ATOM 900 HE21 GLN A 50 7.253 4.137 2.857 1.00 0.00 H +ATOM 901 HE22 GLN A 50 7.989 4.107 4.419 1.00 0.00 H +ATOM 902 N ASN A 51 5.862 -1.375 1.207 1.00 0.00 N +ATOM 903 CA ASN A 51 6.215 -2.779 1.381 1.00 0.00 C +ATOM 904 C ASN A 51 6.111 -3.524 0.055 1.00 0.00 C +ATOM 905 O ASN A 51 6.927 -4.394 -0.247 1.00 0.00 O +ATOM 906 CB ASN A 51 5.304 -3.430 2.425 1.00 0.00 C +ATOM 907 CG ASN A 51 6.053 -3.827 3.682 1.00 0.00 C +ATOM 908 OD1 ASN A 51 6.203 -5.011 3.981 1.00 0.00 O +ATOM 909 ND2 ASN A 51 6.529 -2.835 4.425 1.00 0.00 N +ATOM 910 H ASN A 51 5.013 -1.048 1.572 1.00 0.00 H +ATOM 911 HA ASN A 51 7.237 -2.824 1.727 1.00 0.00 H +ATOM 912 HB2 ASN A 51 4.526 -2.733 2.699 1.00 0.00 H +ATOM 913 HB3 ASN A 51 4.854 -4.316 2.001 1.00 0.00 H +ATOM 914 HD21 ASN A 51 6.372 -1.915 4.126 1.00 0.00 H +ATOM 915 HD22 ASN A 51 7.018 -3.063 5.244 1.00 0.00 H +ATOM 916 N LYS A 52 5.101 -3.172 -0.734 1.00 0.00 N +ATOM 917 CA LYS A 52 4.886 -3.801 -2.031 1.00 0.00 C +ATOM 918 C LYS A 52 6.017 -3.453 -2.994 1.00 0.00 C +ATOM 919 O LYS A 52 6.414 -4.270 -3.824 1.00 0.00 O +ATOM 920 CB LYS A 52 3.542 -3.358 -2.615 1.00 0.00 C +ATOM 921 CG LYS A 52 2.595 -4.511 -2.901 1.00 0.00 C +ATOM 922 CD LYS A 52 2.053 -5.117 -1.617 1.00 0.00 C +ATOM 923 CE LYS A 52 1.179 -6.326 -1.900 1.00 0.00 C +ATOM 924 NZ LYS A 52 0.729 -6.993 -0.647 1.00 0.00 N +ATOM 925 H LYS A 52 4.486 -2.469 -0.437 1.00 0.00 H +ATOM 926 HA LYS A 52 4.870 -4.870 -1.883 1.00 0.00 H +ATOM 927 HB2 LYS A 52 3.061 -2.691 -1.916 1.00 0.00 H +ATOM 928 HB3 LYS A 52 3.719 -2.829 -3.539 1.00 0.00 H +ATOM 929 HG2 LYS A 52 1.767 -4.147 -3.491 1.00 0.00 H +ATOM 930 HG3 LYS A 52 3.126 -5.272 -3.452 1.00 0.00 H +ATOM 931 HD2 LYS A 52 2.883 -5.423 -0.997 1.00 0.00 H +ATOM 932 HD3 LYS A 52 1.468 -4.373 -1.097 1.00 0.00 H +ATOM 933 HE2 LYS A 52 0.311 -6.004 -2.457 1.00 0.00 H +ATOM 934 HE3 LYS A 52 1.743 -7.032 -2.492 1.00 0.00 H +ATOM 935 HZ1 LYS A 52 1.360 -7.789 -0.420 1.00 0.00 H +ATOM 936 HZ2 LYS A 52 -0.239 -7.355 -0.762 1.00 0.00 H +ATOM 937 HZ3 LYS A 52 0.743 -6.316 0.143 1.00 0.00 H +ATOM 938 N ARG A 53 6.531 -2.233 -2.874 1.00 0.00 N +ATOM 939 CA ARG A 53 7.618 -1.771 -3.729 1.00 0.00 C +ATOM 940 C ARG A 53 8.916 -2.505 -3.403 1.00 0.00 C +ATOM 941 O ARG A 53 9.743 -2.745 -4.282 1.00 0.00 O +ATOM 942 CB ARG A 53 7.814 -0.262 -3.562 1.00 0.00 C +ATOM 943 CG ARG A 53 8.018 0.477 -4.875 1.00 0.00 C +ATOM 944 CD ARG A 53 9.256 1.359 -4.835 1.00 0.00 C +ATOM 945 NE ARG A 53 9.117 2.457 -3.880 1.00 0.00 N +ATOM 946 CZ ARG A 53 10.088 3.323 -3.599 1.00 0.00 C +ATOM 947 NH1 ARG A 53 11.269 3.223 -4.198 1.00 0.00 N +ATOM 948 NH2 ARG A 53 9.879 4.291 -2.718 1.00 0.00 N +ATOM 949 H ARG A 53 6.171 -1.629 -2.191 1.00 0.00 H +ATOM 950 HA ARG A 53 7.347 -1.979 -4.753 1.00 0.00 H +ATOM 951 HB2 ARG A 53 6.943 0.150 -3.074 1.00 0.00 H +ATOM 952 HB3 ARG A 53 8.679 -0.090 -2.937 1.00 0.00 H +ATOM 953 HG2 ARG A 53 8.131 -0.246 -5.669 1.00 0.00 H +ATOM 954 HG3 ARG A 53 7.153 1.094 -5.067 1.00 0.00 H +ATOM 955 HD2 ARG A 53 10.104 0.755 -4.551 1.00 0.00 H +ATOM 956 HD3 ARG A 53 9.421 1.770 -5.820 1.00 0.00 H +ATOM 957 HE ARG A 53 8.255 2.553 -3.424 1.00 0.00 H +ATOM 958 HH11 ARG A 53 11.433 2.496 -4.864 1.00 0.00 H +ATOM 959 HH12 ARG A 53 11.994 3.877 -3.983 1.00 0.00 H +ATOM 960 HH21 ARG A 53 8.991 4.371 -2.265 1.00 0.00 H +ATOM 961 HH22 ARG A 53 10.609 4.942 -2.507 1.00 0.00 H +ATOM 962 N ALA A 54 9.086 -2.853 -2.132 1.00 0.00 N +ATOM 963 CA ALA A 54 10.282 -3.556 -1.681 1.00 0.00 C +ATOM 964 C ALA A 54 10.325 -4.991 -2.203 1.00 0.00 C +ATOM 965 O ALA A 54 11.378 -5.628 -2.193 1.00 0.00 O +ATOM 966 CB ALA A 54 10.352 -3.544 -0.162 1.00 0.00 C +ATOM 967 H ALA A 54 8.390 -2.630 -1.480 1.00 0.00 H +ATOM 968 HA ALA A 54 11.141 -3.022 -2.059 1.00 0.00 H +ATOM 969 HB1 ALA A 54 11.385 -3.533 0.151 1.00 0.00 H +ATOM 970 HB2 ALA A 54 9.867 -4.427 0.227 1.00 0.00 H +ATOM 971 HB3 ALA A 54 9.852 -2.664 0.215 1.00 0.00 H +ATOM 972 N LYS A 55 9.181 -5.499 -2.651 1.00 0.00 N +ATOM 973 CA LYS A 55 9.104 -6.862 -3.165 1.00 0.00 C +ATOM 974 C LYS A 55 9.745 -6.968 -4.547 1.00 0.00 C +ATOM 975 O LYS A 55 10.297 -8.008 -4.906 1.00 0.00 O +ATOM 976 CB LYS A 55 7.647 -7.327 -3.225 1.00 0.00 C +ATOM 977 CG LYS A 55 7.276 -8.299 -2.116 1.00 0.00 C +ATOM 978 CD LYS A 55 5.785 -8.273 -1.827 1.00 0.00 C +ATOM 979 CE LYS A 55 5.424 -7.147 -0.871 1.00 0.00 C +ATOM 980 NZ LYS A 55 5.283 -7.630 0.532 1.00 0.00 N +ATOM 981 H LYS A 55 8.370 -4.949 -2.631 1.00 0.00 H +ATOM 982 HA LYS A 55 9.645 -7.501 -2.484 1.00 0.00 H +ATOM 983 HB2 LYS A 55 7.002 -6.464 -3.148 1.00 0.00 H +ATOM 984 HB3 LYS A 55 7.472 -7.813 -4.173 1.00 0.00 H +ATOM 985 HG2 LYS A 55 7.557 -9.297 -2.417 1.00 0.00 H +ATOM 986 HG3 LYS A 55 7.813 -8.027 -1.219 1.00 0.00 H +ATOM 987 HD2 LYS A 55 5.250 -8.129 -2.754 1.00 0.00 H +ATOM 988 HD3 LYS A 55 5.497 -9.215 -1.385 1.00 0.00 H +ATOM 989 HE2 LYS A 55 6.201 -6.399 -0.907 1.00 0.00 H +ATOM 990 HE3 LYS A 55 4.489 -6.710 -1.188 1.00 0.00 H +ATOM 991 HZ1 LYS A 55 5.527 -8.639 0.591 1.00 0.00 H +ATOM 992 HZ2 LYS A 55 4.303 -7.503 0.857 1.00 0.00 H +ATOM 993 HZ3 LYS A 55 5.916 -7.093 1.159 1.00 0.00 H +ATOM 994 N ILE A 56 9.669 -5.888 -5.318 1.00 0.00 N +ATOM 995 CA ILE A 56 10.244 -5.868 -6.658 1.00 0.00 C +ATOM 996 C ILE A 56 11.702 -5.420 -6.626 1.00 0.00 C +ATOM 997 O ILE A 56 12.595 -6.150 -7.055 1.00 0.00 O +ATOM 998 CB ILE A 56 9.450 -4.940 -7.599 1.00 0.00 C +ATOM 999 CG1 ILE A 56 7.958 -5.276 -7.539 1.00 0.00 C +ATOM 1000 CG2 ILE A 56 9.969 -5.057 -9.025 1.00 0.00 C +ATOM 1001 CD1 ILE A 56 7.088 -4.300 -8.300 1.00 0.00 C +ATOM 1002 H ILE A 56 9.217 -5.088 -4.979 1.00 0.00 H +ATOM 1003 HA ILE A 56 10.197 -6.872 -7.055 1.00 0.00 H +ATOM 1004 HB ILE A 56 9.596 -3.922 -7.271 1.00 0.00 H +ATOM 1005 HG12 ILE A 56 7.800 -6.258 -7.960 1.00 0.00 H +ATOM 1006 HG13 ILE A 56 7.636 -5.276 -6.508 1.00 0.00 H +ATOM 1007 HG21 ILE A 56 9.264 -5.616 -9.622 1.00 0.00 H +ATOM 1008 HG22 ILE A 56 10.922 -5.567 -9.022 1.00 0.00 H +ATOM 1009 HG23 ILE A 56 10.092 -4.069 -9.445 1.00 0.00 H +ATOM 1010 HD11 ILE A 56 7.490 -4.155 -9.292 1.00 0.00 H +ATOM 1011 HD12 ILE A 56 7.066 -3.355 -7.779 1.00 0.00 H +ATOM 1012 HD13 ILE A 56 6.085 -4.694 -8.373 1.00 0.00 H +ATOM 1013 N LYS A 57 11.937 -4.215 -6.115 1.00 0.00 N +ATOM 1014 CA LYS A 57 13.289 -3.676 -6.028 1.00 0.00 C +ATOM 1015 C LYS A 57 13.973 -4.131 -4.742 1.00 0.00 C +ATOM 1016 O LYS A 57 13.668 -3.639 -3.656 1.00 0.00 O +ATOM 1017 CB LYS A 57 13.261 -2.147 -6.096 1.00 0.00 C +ATOM 1018 CG LYS A 57 12.284 -1.506 -5.122 1.00 0.00 C +ATOM 1019 CD LYS A 57 12.789 -0.157 -4.631 1.00 0.00 C +ATOM 1020 CE LYS A 57 13.008 -0.156 -3.126 1.00 0.00 C +ATOM 1021 NZ LYS A 57 11.721 -0.136 -2.378 1.00 0.00 N +ATOM 1022 H LYS A 57 11.185 -3.679 -5.787 1.00 0.00 H +ATOM 1023 HA LYS A 57 13.849 -4.053 -6.870 1.00 0.00 H +ATOM 1024 HB2 LYS A 57 14.250 -1.770 -5.879 1.00 0.00 H +ATOM 1025 HB3 LYS A 57 12.985 -1.848 -7.096 1.00 0.00 H +ATOM 1026 HG2 LYS A 57 11.337 -1.364 -5.619 1.00 0.00 H +ATOM 1027 HG3 LYS A 57 12.153 -2.163 -4.275 1.00 0.00 H +ATOM 1028 HD2 LYS A 57 13.726 0.067 -5.120 1.00 0.00 H +ATOM 1029 HD3 LYS A 57 12.061 0.601 -4.880 1.00 0.00 H +ATOM 1030 HE2 LYS A 57 13.559 -1.044 -2.854 1.00 0.00 H +ATOM 1031 HE3 LYS A 57 13.584 0.719 -2.860 1.00 0.00 H +ATOM 1032 HZ1 LYS A 57 11.272 -1.073 -2.415 1.00 0.00 H +ATOM 1033 HZ2 LYS A 57 11.075 0.562 -2.798 1.00 0.00 H +ATOM 1034 HZ3 LYS A 57 11.890 0.118 -1.384 1.00 0.00 H +ATOM 1035 N LYS A 58 14.898 -5.076 -4.874 1.00 0.00 N +ATOM 1036 CA LYS A 58 15.624 -5.600 -3.723 1.00 0.00 C +ATOM 1037 C LYS A 58 16.949 -4.870 -3.532 1.00 0.00 C +ATOM 1038 O LYS A 58 17.124 -4.121 -2.571 1.00 0.00 O +ATOM 1039 CB LYS A 58 15.872 -7.100 -3.892 1.00 0.00 C +ATOM 1040 CG LYS A 58 14.611 -7.895 -4.194 1.00 0.00 C +ATOM 1041 CD LYS A 58 14.126 -8.665 -2.974 1.00 0.00 C +ATOM 1042 CE LYS A 58 12.690 -8.311 -2.623 1.00 0.00 C +ATOM 1043 NZ LYS A 58 12.007 -9.417 -1.897 1.00 0.00 N +ATOM 1044 H LYS A 58 15.096 -5.430 -5.766 1.00 0.00 H +ATOM 1045 HA LYS A 58 15.012 -5.443 -2.847 1.00 0.00 H +ATOM 1046 HB2 LYS A 58 16.568 -7.249 -4.704 1.00 0.00 H +ATOM 1047 HB3 LYS A 58 16.306 -7.487 -2.982 1.00 0.00 H +ATOM 1048 HG2 LYS A 58 13.835 -7.213 -4.510 1.00 0.00 H +ATOM 1049 HG3 LYS A 58 14.821 -8.595 -4.990 1.00 0.00 H +ATOM 1050 HD2 LYS A 58 14.184 -9.722 -3.182 1.00 0.00 H +ATOM 1051 HD3 LYS A 58 14.762 -8.426 -2.133 1.00 0.00 H +ATOM 1052 HE2 LYS A 58 12.692 -7.430 -1.998 1.00 0.00 H +ATOM 1053 HE3 LYS A 58 12.150 -8.103 -3.535 1.00 0.00 H +ATOM 1054 HZ1 LYS A 58 11.148 -9.062 -1.429 1.00 0.00 H +ATOM 1055 HZ2 LYS A 58 12.641 -9.816 -1.175 1.00 0.00 H +ATOM 1056 HZ3 LYS A 58 11.740 -10.171 -2.562 1.00 0.00 H +ATOM 1057 N SER A 59 17.881 -5.093 -4.453 1.00 0.00 N +ATOM 1058 CA SER A 59 19.191 -4.456 -4.385 1.00 0.00 C +ATOM 1059 C SER A 59 19.754 -4.219 -5.782 1.00 0.00 C +ATOM 1060 O SER A 59 20.183 -5.203 -6.421 1.00 0.00 O +ATOM 1061 CB SER A 59 20.158 -5.318 -3.572 1.00 0.00 C +ATOM 1062 OG SER A 59 21.484 -4.827 -3.667 1.00 0.00 O +ATOM 1063 OXT SER A 59 19.761 -3.052 -6.226 1.00 0.00 O +ATOM 1064 H SER A 59 17.684 -5.700 -5.196 1.00 0.00 H +ATOM 1065 HA SER A 59 19.071 -3.503 -3.891 1.00 0.00 H +ATOM 1066 HB2 SER A 59 19.859 -5.311 -2.534 1.00 0.00 H +ATOM 1067 HB3 SER A 59 20.135 -6.332 -3.946 1.00 0.00 H +ATOM 1068 HG SER A 59 21.560 -4.012 -3.165 1.00 0.00 H +TER 1069 SER A 59 +ENDMDL +END diff --git a/bench/main_benchmark/structures/SFB_OL_ETA_1AOHA_1AOHB/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_ETA_1AOHA_1AOHB/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..07d2dfb8f0a47ac52e22e2be1510657ff4392481 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_ETA_1AOHA_1AOHB/state_a.pdb @@ -0,0 +1,1049 @@ +ATOM 1 N ALA A 5 12.583 24.167 46.000 1.00 21.42 N +ATOM 2 CA ALA A 5 13.372 25.417 45.734 1.00 19.86 C +ATOM 3 C ALA A 5 14.775 25.114 45.266 1.00 17.90 C +ATOM 4 O ALA A 5 15.404 24.152 45.724 1.00 18.56 O +ATOM 5 CB ALA A 5 13.452 26.313 46.991 1.00 19.57 C +ATOM 6 N VAL A 6 15.262 25.947 44.363 1.00 13.20 N +ATOM 7 CA VAL A 6 16.611 25.813 43.885 1.00 11.82 C +ATOM 8 C VAL A 6 17.492 26.537 44.904 1.00 11.01 C +ATOM 9 O VAL A 6 17.165 27.643 45.331 1.00 10.47 O +ATOM 10 CB VAL A 6 16.754 26.479 42.491 1.00 11.52 C +ATOM 11 CG1 VAL A 6 18.235 26.488 42.042 1.00 9.27 C +ATOM 12 CG2 VAL A 6 15.854 25.741 41.488 1.00 8.71 C +ATOM 13 N ARG A 7 18.599 25.925 45.299 1.00 11.17 N +ATOM 14 CA ARG A 7 19.489 26.569 46.254 1.00 12.24 C +ATOM 15 C ARG A 7 20.726 27.038 45.520 1.00 11.05 C +ATOM 16 O ARG A 7 21.300 26.276 44.737 1.00 10.72 O +ATOM 17 CB ARG A 7 19.817 25.609 47.409 1.00 14.92 C +ATOM 18 CG ARG A 7 18.517 25.173 48.078 1.00 17.96 C +ATOM 19 CD ARG A 7 18.660 24.052 49.046 1.00 21.70 C +ATOM 20 NE ARG A 7 19.140 22.798 48.447 1.00 26.53 N +ATOM 21 CZ ARG A 7 18.445 21.973 47.651 1.00 27.01 C +ATOM 22 NH1 ARG A 7 17.205 22.271 47.238 1.00 27.27 N +ATOM 23 NH2 ARG A 7 19.032 20.855 47.226 1.00 26.75 N +ATOM 24 N ILE A 8 21.078 28.306 45.712 1.00 7.79 N +ATOM 25 CA ILE A 8 22.260 28.887 45.078 1.00 8.96 C +ATOM 26 C ILE A 8 23.263 29.237 46.185 1.00 10.21 C +ATOM 27 O ILE A 8 22.921 29.941 47.125 1.00 8.55 O +ATOM 28 CB ILE A 8 21.922 30.169 44.264 1.00 8.98 C +ATOM 29 CG1 ILE A 8 20.854 29.867 43.187 1.00 8.15 C +ATOM 30 CG2 ILE A 8 23.213 30.766 43.680 1.00 10.06 C +ATOM 31 CD1 ILE A 8 19.412 29.862 43.690 1.00 6.80 C +ATOM 32 N LYS A 9 24.487 28.756 46.073 1.00 10.00 N +ATOM 33 CA LYS A 9 25.469 29.026 47.106 1.00 11.70 C +ATOM 34 C LYS A 9 26.830 29.382 46.548 1.00 11.30 C +ATOM 35 O LYS A 9 27.308 28.761 45.599 1.00 14.29 O +ATOM 36 CB LYS A 9 25.578 27.835 48.031 1.00 13.41 C +ATOM 37 N VAL A 10 27.395 30.473 47.041 1.00 10.38 N +ATOM 38 CA VAL A 10 28.719 30.890 46.626 1.00 9.99 C +ATOM 39 C VAL A 10 29.620 30.215 47.649 1.00 11.14 C +ATOM 40 O VAL A 10 29.311 30.229 48.834 1.00 12.51 O +ATOM 41 CB VAL A 10 28.883 32.398 46.736 1.00 8.02 C +ATOM 42 CG1 VAL A 10 30.311 32.778 46.393 1.00 8.26 C +ATOM 43 CG2 VAL A 10 27.921 33.077 45.815 1.00 8.44 C +ATOM 44 N ASP A 11 30.667 29.536 47.207 1.00 10.32 N +ATOM 45 CA ASP A 11 31.562 28.893 48.162 1.00 11.51 C +ATOM 46 C ASP A 11 32.316 29.932 48.996 1.00 10.85 C +ATOM 47 O ASP A 11 32.401 31.119 48.647 1.00 7.63 O +ATOM 48 CB ASP A 11 32.650 28.081 47.453 1.00 12.68 C +ATOM 49 CG ASP A 11 32.183 26.722 46.976 1.00 14.93 C +ATOM 50 OD1 ASP A 11 30.978 26.379 47.070 1.00 14.46 O +ATOM 51 OD2 ASP A 11 33.067 25.984 46.478 1.00 17.86 O +ATOM 52 N THR A 12 32.863 29.448 50.101 1.00 8.82 N +ATOM 53 CA THR A 12 33.734 30.262 50.925 1.00 10.20 C +ATOM 54 C THR A 12 35.053 29.505 50.739 1.00 9.01 C +ATOM 55 O THR A 12 35.126 28.295 50.991 1.00 13.00 O +ATOM 56 CB THR A 12 33.334 30.284 52.404 1.00 8.54 C +ATOM 57 OG1 THR A 12 32.005 30.783 52.526 1.00 8.82 O +ATOM 58 CG2 THR A 12 34.299 31.175 53.215 1.00 7.97 C +ATOM 59 N VAL A 13 36.067 30.194 50.265 1.00 9.70 N +ATOM 60 CA VAL A 13 37.356 29.589 50.012 1.00 11.96 C +ATOM 61 C VAL A 13 38.453 30.313 50.793 1.00 13.39 C +ATOM 62 O VAL A 13 38.327 31.496 51.111 1.00 14.93 O +ATOM 63 CB VAL A 13 37.677 29.649 48.475 1.00 14.70 C +ATOM 64 CG1 VAL A 13 36.551 28.942 47.660 1.00 14.80 C +ATOM 65 CG2 VAL A 13 37.786 31.080 48.037 1.00 14.65 C +ATOM 66 N ASN A 14 39.529 29.602 51.111 1.00 14.35 N +ATOM 67 CA ASN A 14 40.636 30.199 51.850 1.00 16.16 C +ATOM 68 C ASN A 14 41.704 30.672 50.900 1.00 15.74 C +ATOM 69 O ASN A 14 42.008 29.986 49.922 1.00 15.50 O +ATOM 70 CB ASN A 14 41.260 29.189 52.809 1.00 19.70 C +ATOM 71 CG ASN A 14 40.351 28.851 53.944 1.00 22.25 C +ATOM 72 OD1 ASN A 14 40.073 29.690 54.790 1.00 27.68 O +ATOM 73 ND2 ASN A 14 39.834 27.635 53.949 1.00 24.25 N +ATOM 74 N ALA A 15 42.322 31.802 51.213 1.00 14.22 N +ATOM 75 CA ALA A 15 43.369 32.348 50.362 1.00 14.92 C +ATOM 76 C ALA A 15 44.237 33.242 51.188 1.00 15.95 C +ATOM 77 O ALA A 15 43.863 33.631 52.289 1.00 17.11 O +ATOM 78 CB ALA A 15 42.777 33.171 49.185 1.00 14.45 C +ATOM 79 N LYS A 16 45.376 33.602 50.616 1.00 14.92 N +ATOM 80 CA LYS A 16 46.324 34.480 51.250 1.00 15.48 C +ATOM 81 C LYS A 16 46.407 35.693 50.359 1.00 14.02 C +ATOM 82 O LYS A 16 46.141 35.580 49.164 1.00 13.86 O +ATOM 83 CB LYS A 16 47.689 33.796 51.306 1.00 16.58 C +ATOM 84 N PRO A 17 46.734 36.869 50.921 1.00 13.05 N +ATOM 85 CA PRO A 17 46.832 38.056 50.067 1.00 13.00 C +ATOM 86 C PRO A 17 47.797 37.751 48.901 1.00 14.92 C +ATOM 87 O PRO A 17 48.824 37.075 49.077 1.00 14.50 O +ATOM 88 CB PRO A 17 47.379 39.121 51.013 1.00 13.73 C +ATOM 89 CG PRO A 17 46.763 38.695 52.372 1.00 12.51 C +ATOM 90 CD PRO A 17 46.957 37.193 52.350 1.00 12.46 C +ATOM 91 N GLY A 18 47.424 38.178 47.702 1.00 14.71 N +ATOM 92 CA GLY A 18 48.246 37.907 46.534 1.00 15.35 C +ATOM 93 C GLY A 18 47.742 36.712 45.733 1.00 15.08 C +ATOM 94 O GLY A 18 48.003 36.616 44.534 1.00 17.18 O +ATOM 95 N ASP A 19 47.011 35.802 46.359 1.00 12.08 N +ATOM 96 CA ASP A 19 46.506 34.635 45.648 1.00 12.61 C +ATOM 97 C ASP A 19 45.398 34.993 44.673 1.00 12.46 C +ATOM 98 O ASP A 19 44.580 35.881 44.942 1.00 11.04 O +ATOM 99 CB ASP A 19 45.848 33.610 46.598 1.00 12.28 C +ATOM 100 CG ASP A 19 46.829 32.811 47.420 1.00 15.18 C +ATOM 101 OD1 ASP A 19 48.067 32.909 47.232 1.00 16.54 O +ATOM 102 OD2 ASP A 19 46.323 32.057 48.285 1.00 15.87 O +ATOM 103 N THR A 20 45.330 34.216 43.587 1.00 11.46 N +ATOM 104 CA THR A 20 44.251 34.326 42.609 1.00 11.68 C +ATOM 105 C THR A 20 43.423 33.091 42.932 1.00 12.94 C +ATOM 106 O THR A 20 43.891 31.955 42.810 1.00 15.47 O +ATOM 107 CB THR A 20 44.762 34.330 41.143 1.00 11.17 C +ATOM 108 OG1 THR A 20 45.515 35.531 40.926 1.00 11.13 O +ATOM 109 CG2 THR A 20 43.576 34.272 40.154 1.00 10.18 C +ATOM 110 N VAL A 21 42.213 33.323 43.421 1.00 11.47 N +ATOM 111 CA VAL A 21 41.331 32.269 43.857 1.00 11.71 C +ATOM 112 C VAL A 21 40.114 32.043 42.976 1.00 11.71 C +ATOM 113 O VAL A 21 39.617 32.941 42.308 1.00 12.04 O +ATOM 114 CB VAL A 21 40.913 32.549 45.364 1.00 14.75 C +ATOM 115 CG1 VAL A 21 40.163 33.839 45.489 1.00 14.62 C +ATOM 116 CG2 VAL A 21 40.099 31.442 45.935 1.00 17.99 C +ATOM 117 N ARG A 22 39.631 30.813 43.022 1.00 13.48 N +ATOM 118 CA ARG A 22 38.457 30.398 42.277 1.00 13.22 C +ATOM 119 C ARG A 22 37.343 30.133 43.251 1.00 11.70 C +ATOM 120 O ARG A 22 37.495 29.346 44.192 1.00 14.41 O +ATOM 121 CB ARG A 22 38.788 29.166 41.453 1.00 16.12 C +ATOM 122 CG ARG A 22 39.798 29.516 40.371 1.00 18.31 C +ATOM 123 CD ARG A 22 40.272 28.294 39.650 1.00 22.03 C +ATOM 124 NE ARG A 22 39.244 27.700 38.805 1.00 23.16 N +ATOM 125 CZ ARG A 22 38.977 28.103 37.568 1.00 24.65 C +ATOM 126 NH1 ARG A 22 39.663 29.108 37.011 1.00 22.91 N +ATOM 127 NH2 ARG A 22 38.017 27.485 36.895 1.00 25.91 N +ATOM 128 N ILE A 23 36.216 30.788 43.036 1.00 8.96 N +ATOM 129 CA ILE A 23 35.080 30.649 43.928 1.00 8.93 C +ATOM 130 C ILE A 23 33.849 30.146 43.194 1.00 8.70 C +ATOM 131 O ILE A 23 33.168 30.904 42.469 1.00 7.74 O +ATOM 132 CB ILE A 23 34.715 32.003 44.580 1.00 10.18 C +ATOM 133 CG1 ILE A 23 35.979 32.701 45.115 1.00 11.70 C +ATOM 134 CG2 ILE A 23 33.628 31.801 45.635 1.00 10.42 C +ATOM 135 CD1 ILE A 23 35.754 34.160 45.462 1.00 12.45 C +ATOM 136 N PRO A 24 33.578 28.845 43.316 1.00 9.47 N +ATOM 137 CA PRO A 24 32.414 28.271 42.666 1.00 7.74 C +ATOM 138 C PRO A 24 31.098 28.849 43.168 1.00 9.17 C +ATOM 139 O PRO A 24 30.951 29.209 44.349 1.00 10.54 O +ATOM 140 CB PRO A 24 32.535 26.791 43.036 1.00 9.39 C +ATOM 141 CG PRO A 24 33.996 26.582 42.988 1.00 9.23 C +ATOM 142 CD PRO A 24 34.436 27.760 43.835 1.00 8.89 C +ATOM 143 N VAL A 25 30.142 28.934 42.255 1.00 7.64 N +ATOM 144 CA VAL A 25 28.763 29.360 42.544 1.00 7.80 C +ATOM 145 C VAL A 25 28.000 28.092 42.106 1.00 9.45 C +ATOM 146 O VAL A 25 28.047 27.667 40.936 1.00 9.92 O +ATOM 147 CB VAL A 25 28.328 30.629 41.738 1.00 7.62 C +ATOM 148 CG1 VAL A 25 26.907 31.030 42.091 1.00 7.70 C +ATOM 149 CG2 VAL A 25 29.277 31.780 42.025 1.00 6.00 C +ATOM 150 N ARG A 26 27.376 27.449 43.075 1.00 8.45 N +ATOM 151 CA ARG A 26 26.688 26.203 42.857 1.00 9.24 C +ATOM 152 C ARG A 26 25.178 26.277 42.992 1.00 9.22 C +ATOM 153 O ARG A 26 24.631 27.053 43.803 1.00 9.60 O +ATOM 154 CB ARG A 26 27.216 25.165 43.857 1.00 11.27 C +ATOM 155 CG ARG A 26 28.693 24.950 43.824 1.00 13.38 C +ATOM 156 CD ARG A 26 29.106 24.169 45.040 1.00 16.23 C +ATOM 157 NE ARG A 26 30.545 24.213 45.230 1.00 19.41 N +ATOM 158 CZ ARG A 26 31.391 23.388 44.632 1.00 20.39 C +ATOM 159 NH1 ARG A 26 30.929 22.452 43.821 1.00 21.77 N +ATOM 160 NH2 ARG A 26 32.699 23.513 44.811 1.00 21.74 N +ATOM 161 N PHE A 27 24.525 25.454 42.177 1.00 7.61 N +ATOM 162 CA PHE A 27 23.079 25.300 42.159 1.00 7.75 C +ATOM 163 C PHE A 27 22.788 23.865 42.614 1.00 9.24 C +ATOM 164 O PHE A 27 23.521 22.923 42.246 1.00 10.67 O +ATOM 165 CB PHE A 27 22.524 25.398 40.728 1.00 8.38 C +ATOM 166 CG PHE A 27 22.510 26.786 40.140 1.00 7.81 C +ATOM 167 CD1 PHE A 27 22.988 27.897 40.838 1.00 6.59 C +ATOM 168 CD2 PHE A 27 21.950 26.974 38.884 1.00 6.92 C +ATOM 169 CE1 PHE A 27 22.903 29.180 40.287 1.00 7.08 C +ATOM 170 CE2 PHE A 27 21.854 28.250 38.315 1.00 6.87 C +ATOM 171 CZ PHE A 27 22.327 29.353 39.018 1.00 7.94 C +ATOM 172 N SER A 28 21.727 23.702 43.399 1.00 9.23 N +ATOM 173 CA SER A 28 21.292 22.396 43.847 1.00 10.28 C +ATOM 174 C SER A 28 19.767 22.492 43.866 1.00 11.30 C +ATOM 175 O SER A 28 19.201 23.595 43.996 1.00 11.46 O +ATOM 176 CB SER A 28 21.892 22.036 45.211 1.00 13.03 C +ATOM 177 OG SER A 28 21.477 22.945 46.177 1.00 17.12 O +ATOM 178 N GLY A 29 19.113 21.353 43.667 1.00 10.42 N +ATOM 179 CA GLY A 29 17.670 21.307 43.611 1.00 8.83 C +ATOM 180 C GLY A 29 17.150 21.744 42.255 1.00 10.93 C +ATOM 181 O GLY A 29 16.030 22.217 42.164 1.00 11.66 O +ATOM 182 N ILE A 30 17.949 21.589 41.197 1.00 11.00 N +ATOM 183 CA ILE A 30 17.525 22.014 39.851 1.00 10.68 C +ATOM 184 C ILE A 30 16.342 21.117 39.464 1.00 9.64 C +ATOM 185 O ILE A 30 16.452 19.881 39.548 1.00 10.63 O +ATOM 186 CB ILE A 30 18.711 21.926 38.803 1.00 11.05 C +ATOM 187 CG1 ILE A 30 19.744 23.041 39.066 1.00 10.31 C +ATOM 188 CG2 ILE A 30 18.159 22.061 37.364 1.00 9.00 C +ATOM 189 CD1 ILE A 30 19.217 24.458 38.830 1.00 9.75 C +ATOM 190 N PRO A 31 15.198 21.718 39.060 1.00 10.19 N +ATOM 191 CA PRO A 31 14.006 20.933 38.688 1.00 9.84 C +ATOM 192 C PRO A 31 14.104 20.064 37.401 1.00 10.35 C +ATOM 193 O PRO A 31 15.010 20.230 36.592 1.00 10.67 O +ATOM 194 CB PRO A 31 12.914 21.991 38.628 1.00 10.59 C +ATOM 195 CG PRO A 31 13.622 23.220 38.188 1.00 8.87 C +ATOM 196 CD PRO A 31 14.994 23.159 38.800 1.00 9.10 C +ATOM 197 N SER A 32 13.189 19.108 37.254 1.00 11.59 N +ATOM 198 CA SER A 32 13.156 18.207 36.099 1.00 13.86 C +ATOM 199 C SER A 32 13.051 18.971 34.779 1.00 11.65 C +ATOM 200 O SER A 32 13.622 18.580 33.761 1.00 11.48 O +ATOM 201 CB SER A 32 11.937 17.290 36.217 1.00 17.26 C +ATOM 202 OG SER A 32 12.038 16.482 37.381 1.00 21.00 O +ATOM 203 N LYS A 33 12.289 20.051 34.842 1.00 11.95 N +ATOM 204 CA LYS A 33 12.029 20.947 33.735 1.00 11.85 C +ATOM 205 C LYS A 33 13.163 21.920 33.519 1.00 9.02 C +ATOM 206 O LYS A 33 13.027 22.843 32.713 1.00 10.80 O +ATOM 207 CB LYS A 33 10.769 21.750 34.010 1.00 15.64 C +ATOM 208 CG LYS A 33 9.464 20.983 33.963 1.00 19.81 C +ATOM 209 CD LYS A 33 9.163 20.484 32.557 1.00 23.13 C +ATOM 210 CE LYS A 33 9.085 21.620 31.512 1.00 25.70 C +ATOM 211 NZ LYS A 33 10.239 21.637 30.579 1.00 25.03 N +ATOM 212 N GLY A 34 14.256 21.739 34.247 1.00 7.78 N +ATOM 213 CA GLY A 34 15.420 22.605 34.109 1.00 7.41 C +ATOM 214 C GLY A 34 15.247 24.073 34.487 1.00 7.71 C +ATOM 215 O GLY A 34 14.222 24.489 35.047 1.00 8.90 O +ATOM 216 N ILE A 35 16.269 24.862 34.166 1.00 8.74 N +ATOM 217 CA ILE A 35 16.290 26.327 34.378 1.00 7.76 C +ATOM 218 C ILE A 35 16.686 26.950 33.004 1.00 6.64 C +ATOM 219 O ILE A 35 17.841 26.789 32.547 1.00 6.34 O +ATOM 220 CB ILE A 35 17.330 26.764 35.479 1.00 6.85 C +ATOM 221 CG1 ILE A 35 16.903 26.244 36.858 1.00 7.48 C +ATOM 222 CG2 ILE A 35 17.500 28.279 35.519 1.00 4.89 C +ATOM 223 CD1 ILE A 35 15.524 26.688 37.290 1.00 5.80 C +ATOM 224 N ALA A 36 15.712 27.608 32.359 1.00 6.92 N +ATOM 225 CA ALA A 36 15.892 28.247 31.055 1.00 7.33 C +ATOM 226 C ALA A 36 16.573 29.598 31.162 1.00 7.89 C +ATOM 227 O ALA A 36 17.322 30.012 30.269 1.00 8.61 O +ATOM 228 CB ALA A 36 14.558 28.399 30.361 1.00 7.29 C +ATOM 229 N ASN A 37 16.363 30.282 32.279 1.00 7.10 N +ATOM 230 CA ASN A 37 16.980 31.585 32.471 1.00 7.37 C +ATOM 231 C ASN A 37 17.013 31.965 33.951 1.00 7.92 C +ATOM 232 O ASN A 37 16.208 31.473 34.736 1.00 6.65 O +ATOM 233 CB ASN A 37 16.239 32.676 31.673 1.00 8.20 C +ATOM 234 CG ASN A 37 14.787 32.917 32.165 1.00 10.54 C +ATOM 235 OD1 ASN A 37 14.546 33.676 33.110 1.00 11.84 O +ATOM 236 ND2 ASN A 37 13.832 32.283 31.513 1.00 9.14 N +ATOM 237 N CYS A 38 17.991 32.771 34.323 1.00 6.89 N +ATOM 238 CA CYS A 38 18.101 33.261 35.687 1.00 6.08 C +ATOM 239 C CYS A 38 19.069 34.438 35.731 1.00 5.47 C +ATOM 240 O CYS A 38 20.059 34.474 35.001 1.00 6.80 O +ATOM 241 CB CYS A 38 18.554 32.156 36.651 1.00 4.94 C +ATOM 242 SG CYS A 38 20.188 31.499 36.427 1.00 8.84 S +ATOM 243 N ASP A 39 18.799 35.409 36.600 1.00 5.68 N +ATOM 244 CA ASP A 39 19.721 36.528 36.731 1.00 5.31 C +ATOM 245 C ASP A 39 19.632 36.943 38.180 1.00 5.35 C +ATOM 246 O ASP A 39 18.572 36.885 38.786 1.00 7.12 O +ATOM 247 CB ASP A 39 19.364 37.720 35.810 1.00 8.96 C +ATOM 248 CG ASP A 39 18.001 38.336 36.131 1.00 10.67 C +ATOM 249 OD1 ASP A 39 16.965 37.781 35.684 1.00 9.52 O +ATOM 250 OD2 ASP A 39 17.973 39.364 36.844 1.00 11.49 O +ATOM 251 N PHE A 40 20.755 37.342 38.720 1.00 4.94 N +ATOM 252 CA PHE A 40 20.812 37.740 40.113 1.00 7.22 C +ATOM 253 C PHE A 40 22.091 38.525 40.380 1.00 7.80 C +ATOM 254 O PHE A 40 23.027 38.523 39.574 1.00 7.04 O +ATOM 255 CB PHE A 40 20.676 36.514 41.041 1.00 6.52 C +ATOM 256 CG PHE A 40 21.648 35.410 40.748 1.00 5.46 C +ATOM 257 CD1 PHE A 40 22.939 35.435 41.264 1.00 5.04 C +ATOM 258 CD2 PHE A 40 21.245 34.312 39.970 1.00 5.94 C +ATOM 259 CE1 PHE A 40 23.811 34.384 41.020 1.00 4.88 C +ATOM 260 CE2 PHE A 40 22.108 33.255 39.720 1.00 3.66 C +ATOM 261 CZ PHE A 40 23.391 33.281 40.243 1.00 4.85 C +ATOM 262 N VAL A 41 22.136 39.186 41.532 1.00 8.18 N +ATOM 263 CA VAL A 41 23.263 40.038 41.897 1.00 7.56 C +ATOM 264 C VAL A 41 23.824 39.674 43.273 1.00 7.03 C +ATOM 265 O VAL A 41 23.066 39.298 44.182 1.00 8.50 O +ATOM 266 CB VAL A 41 22.752 41.484 42.004 1.00 7.27 C +ATOM 267 CG1 VAL A 41 23.873 42.429 42.343 1.00 8.07 C +ATOM 268 CG2 VAL A 41 22.070 41.892 40.710 1.00 7.87 C +ATOM 269 N TYR A 42 25.137 39.760 43.414 1.00 6.87 N +ATOM 270 CA TYR A 42 25.796 39.529 44.703 1.00 7.38 C +ATOM 271 C TYR A 42 26.659 40.751 44.882 1.00 7.26 C +ATOM 272 O TYR A 42 27.048 41.380 43.883 1.00 6.48 O +ATOM 273 CB TYR A 42 26.696 38.277 44.684 1.00 7.08 C +ATOM 274 CG TYR A 42 25.995 37.017 45.150 1.00 7.66 C +ATOM 275 CD1 TYR A 42 25.103 36.329 44.306 1.00 7.65 C +ATOM 276 CD2 TYR A 42 26.220 36.499 46.437 1.00 6.68 C +ATOM 277 CE1 TYR A 42 24.449 35.161 44.739 1.00 9.06 C +ATOM 278 CE2 TYR A 42 25.567 35.327 46.877 1.00 7.99 C +ATOM 279 CZ TYR A 42 24.691 34.652 46.034 1.00 9.16 C +ATOM 280 OH TYR A 42 24.087 33.474 46.449 1.00 7.85 O +ATOM 281 N SER A 43 26.955 41.110 46.134 1.00 6.94 N +ATOM 282 CA SER A 43 27.838 42.242 46.397 1.00 7.44 C +ATOM 283 C SER A 43 29.182 41.669 46.868 1.00 6.47 C +ATOM 284 O SER A 43 29.260 40.512 47.272 1.00 7.98 O +ATOM 285 CB SER A 43 27.252 43.147 47.471 1.00 9.07 C +ATOM 286 OG SER A 43 27.243 42.444 48.689 1.00 11.73 O +ATOM 287 N TYR A 44 30.238 42.460 46.780 1.00 7.10 N +ATOM 288 CA TYR A 44 31.571 42.002 47.190 1.00 7.79 C +ATOM 289 C TYR A 44 32.346 43.230 47.623 1.00 8.02 C +ATOM 290 O TYR A 44 31.852 44.352 47.495 1.00 8.24 O +ATOM 291 CB TYR A 44 32.297 41.267 46.044 1.00 7.53 C +ATOM 292 CG TYR A 44 32.789 42.167 44.905 1.00 7.77 C +ATOM 293 CD1 TYR A 44 31.890 42.813 44.046 1.00 7.01 C +ATOM 294 CD2 TYR A 44 34.143 42.338 44.674 1.00 7.37 C +ATOM 295 CE1 TYR A 44 32.346 43.598 43.012 1.00 5.69 C +ATOM 296 CE2 TYR A 44 34.607 43.109 43.629 1.00 7.09 C +ATOM 297 CZ TYR A 44 33.699 43.736 42.815 1.00 6.69 C +ATOM 298 OH TYR A 44 34.191 44.525 41.803 1.00 9.43 O +ATOM 299 N ASP A 45 33.555 43.024 48.124 1.00 7.08 N +ATOM 300 CA ASP A 45 34.375 44.131 48.551 1.00 8.46 C +ATOM 301 C ASP A 45 35.538 44.286 47.588 1.00 8.53 C +ATOM 302 O ASP A 45 36.549 43.589 47.707 1.00 7.80 O +ATOM 303 CB ASP A 45 34.876 43.897 49.988 1.00 9.61 C +ATOM 304 CG ASP A 45 35.747 45.037 50.509 1.00 11.83 C +ATOM 305 OD1 ASP A 45 35.990 46.035 49.787 1.00 10.38 O +ATOM 306 OD2 ASP A 45 36.237 44.901 51.650 1.00 13.55 O +ATOM 307 N PRO A 46 35.436 45.260 46.658 1.00 10.50 N +ATOM 308 CA PRO A 46 36.492 45.507 45.670 1.00 9.44 C +ATOM 309 C PRO A 46 37.821 46.017 46.227 1.00 10.90 C +ATOM 310 O PRO A 46 38.853 46.004 45.546 1.00 12.48 O +ATOM 311 CB PRO A 46 35.820 46.463 44.692 1.00 9.35 C +ATOM 312 CG PRO A 46 34.814 47.145 45.502 1.00 9.82 C +ATOM 313 CD PRO A 46 34.254 46.099 46.379 1.00 8.93 C +ATOM 314 N ASN A 47 37.812 46.450 47.480 1.00 11.98 N +ATOM 315 CA ASN A 47 39.037 46.908 48.118 1.00 11.65 C +ATOM 316 C ASN A 47 39.843 45.689 48.595 1.00 11.55 C +ATOM 317 O ASN A 47 41.014 45.809 48.912 1.00 13.93 O +ATOM 318 CB ASN A 47 38.689 47.830 49.299 1.00 12.90 C +ATOM 319 N VAL A 48 39.220 44.517 48.631 1.00 10.47 N +ATOM 320 CA VAL A 48 39.889 43.280 49.056 1.00 11.04 C +ATOM 321 C VAL A 48 40.019 42.264 47.904 1.00 12.22 C +ATOM 322 O VAL A 48 41.061 41.617 47.756 1.00 14.82 O +ATOM 323 CB VAL A 48 39.170 42.608 50.275 1.00 11.04 C +ATOM 324 CG1 VAL A 48 39.735 41.197 50.520 1.00 12.89 C +ATOM 325 CG2 VAL A 48 39.370 43.447 51.548 1.00 12.67 C +ATOM 326 N LEU A 49 38.981 42.132 47.086 1.00 10.83 N +ATOM 327 CA LEU A 49 38.994 41.183 45.959 1.00 10.46 C +ATOM 328 C LEU A 49 38.851 41.893 44.606 1.00 9.46 C +ATOM 329 O LEU A 49 37.928 42.666 44.420 1.00 11.68 O +ATOM 330 CB LEU A 49 37.824 40.199 46.084 1.00 9.23 C +ATOM 331 CG LEU A 49 37.673 39.376 47.370 1.00 10.93 C +ATOM 332 CD1 LEU A 49 36.432 38.508 47.295 1.00 9.18 C +ATOM 333 CD2 LEU A 49 38.916 38.545 47.630 1.00 10.27 C +ATOM 334 N GLU A 50 39.749 41.629 43.674 1.00 9.88 N +ATOM 335 CA GLU A 50 39.646 42.212 42.340 1.00 9.37 C +ATOM 336 C GLU A 50 39.104 41.097 41.458 1.00 9.52 C +ATOM 337 O GLU A 50 39.741 40.062 41.287 1.00 10.38 O +ATOM 338 CB GLU A 50 40.986 42.661 41.841 1.00 10.35 C +ATOM 339 N ILE A 51 37.896 41.272 40.956 1.00 9.56 N +ATOM 340 CA ILE A 51 37.301 40.239 40.126 1.00 10.22 C +ATOM 341 C ILE A 51 38.003 40.236 38.778 1.00 11.39 C +ATOM 342 O ILE A 51 37.954 41.238 38.053 1.00 11.62 O +ATOM 343 CB ILE A 51 35.808 40.486 39.937 1.00 10.45 C +ATOM 344 CG1 ILE A 51 35.131 40.615 41.310 1.00 10.04 C +ATOM 345 CG2 ILE A 51 35.180 39.325 39.141 1.00 10.77 C +ATOM 346 CD1 ILE A 51 35.178 39.372 42.164 1.00 7.59 C +ATOM 347 N ILE A 52 38.661 39.118 38.478 1.00 10.89 N +ATOM 348 CA ILE A 52 39.445 38.936 37.246 1.00 12.25 C +ATOM 349 C ILE A 52 38.596 38.446 36.072 1.00 12.31 C +ATOM 350 O ILE A 52 38.719 38.943 34.927 1.00 13.88 O +ATOM 351 CB ILE A 52 40.572 37.882 37.463 1.00 12.59 C +ATOM 352 CG1 ILE A 52 41.465 38.273 38.630 1.00 13.68 C +ATOM 353 CG2 ILE A 52 41.436 37.747 36.202 1.00 15.09 C +ATOM 354 CD1 ILE A 52 42.133 39.589 38.460 1.00 13.17 C +ATOM 355 N GLU A 53 37.759 37.453 36.359 1.00 10.79 N +ATOM 356 CA GLU A 53 36.890 36.839 35.357 1.00 11.41 C +ATOM 357 C GLU A 53 35.845 35.998 36.057 1.00 10.21 C +ATOM 358 O GLU A 53 36.000 35.654 37.222 1.00 9.64 O +ATOM 359 CB GLU A 53 37.728 35.920 34.420 1.00 12.63 C +ATOM 360 N ILE A 54 34.733 35.752 35.387 1.00 7.42 N +ATOM 361 CA ILE A 54 33.732 34.863 35.946 1.00 8.94 C +ATOM 362 C ILE A 54 33.467 33.882 34.815 1.00 10.08 C +ATOM 363 O ILE A 54 33.044 34.261 33.705 1.00 10.39 O +ATOM 364 CB ILE A 54 32.450 35.560 36.444 1.00 9.15 C +ATOM 365 CG1 ILE A 54 32.797 36.600 37.536 1.00 9.68 C +ATOM 366 CG2 ILE A 54 31.523 34.486 37.018 1.00 7.54 C +ATOM 367 CD1 ILE A 54 31.618 37.426 38.062 1.00 9.43 C +ATOM 368 N GLU A 55 33.879 32.645 35.057 1.00 9.31 N +ATOM 369 CA GLU A 55 33.740 31.591 34.057 1.00 11.74 C +ATOM 370 C GLU A 55 32.431 30.832 34.093 1.00 11.31 C +ATOM 371 O GLU A 55 31.881 30.554 35.192 1.00 10.01 O +ATOM 372 CB GLU A 55 34.853 30.537 34.203 1.00 13.10 C +ATOM 373 CG GLU A 55 36.277 31.052 34.316 1.00 16.86 C +ATOM 374 CD GLU A 55 37.287 29.934 34.636 1.00 19.34 C +ATOM 375 OE1 GLU A 55 36.892 28.751 34.811 1.00 20.73 O +ATOM 376 OE2 GLU A 55 38.490 30.249 34.723 1.00 23.50 O +ATOM 377 N PRO A 56 31.909 30.467 32.885 1.00 9.98 N +ATOM 378 CA PRO A 56 30.664 29.697 32.795 1.00 9.21 C +ATOM 379 C PRO A 56 31.003 28.364 33.485 1.00 7.56 C +ATOM 380 O PRO A 56 32.094 27.817 33.261 1.00 8.76 O +ATOM 381 CB PRO A 56 30.506 29.446 31.284 1.00 8.76 C +ATOM 382 CG PRO A 56 31.225 30.543 30.659 1.00 9.55 C +ATOM 383 CD PRO A 56 32.426 30.789 31.544 1.00 10.63 C +ATOM 384 N GLY A 57 30.092 27.837 34.292 1.00 6.96 N +ATOM 385 CA GLY A 57 30.360 26.569 34.959 1.00 6.43 C +ATOM 386 C GLY A 57 29.957 25.392 34.090 1.00 8.31 C +ATOM 387 O GLY A 57 29.390 25.568 32.997 1.00 7.90 O +ATOM 388 N GLU A 58 30.200 24.197 34.615 1.00 7.92 N +ATOM 389 CA GLU A 58 29.878 22.919 33.961 1.00 8.70 C +ATOM 390 C GLU A 58 28.401 22.800 33.630 1.00 8.75 C +ATOM 391 O GLU A 58 28.028 22.021 32.760 1.00 8.81 O +ATOM 392 CB GLU A 58 30.243 21.764 34.902 1.00 12.62 C +ATOM 393 CG GLU A 58 29.486 21.858 36.263 1.00 15.40 C +ATOM 394 CD GLU A 58 30.016 20.903 37.337 1.00 17.73 C +ATOM 395 OE1 GLU A 58 30.940 20.102 37.072 1.00 18.30 O +ATOM 396 OE2 GLU A 58 29.484 20.936 38.454 1.00 17.53 O +ATOM 397 N LEU A 59 27.547 23.524 34.363 1.00 8.00 N +ATOM 398 CA LEU A 59 26.093 23.486 34.127 1.00 7.41 C +ATOM 399 C LEU A 59 25.645 24.169 32.835 1.00 7.82 C +ATOM 400 O LEU A 59 24.490 23.992 32.409 1.00 8.46 O +ATOM 401 CB LEU A 59 25.312 24.089 35.308 1.00 6.98 C +ATOM 402 CG LEU A 59 25.408 23.356 36.652 1.00 7.67 C +ATOM 403 CD1 LEU A 59 24.436 23.989 37.629 1.00 6.94 C +ATOM 404 CD2 LEU A 59 25.148 21.881 36.498 1.00 6.29 C +ATOM 405 N ILE A 60 26.525 25.000 32.269 1.00 7.15 N +ATOM 406 CA ILE A 60 26.238 25.746 31.030 1.00 7.13 C +ATOM 407 C ILE A 60 26.517 24.763 29.873 1.00 7.33 C +ATOM 408 O ILE A 60 27.674 24.551 29.503 1.00 6.46 O +ATOM 409 CB ILE A 60 27.138 27.013 30.935 1.00 5.80 C +ATOM 410 CG1 ILE A 60 26.968 27.849 32.208 1.00 6.86 C +ATOM 411 CG2 ILE A 60 26.753 27.889 29.722 1.00 6.10 C +ATOM 412 CD1 ILE A 60 25.529 28.168 32.593 1.00 4.12 C +ATOM 413 N VAL A 61 25.446 24.194 29.314 1.00 7.19 N +ATOM 414 CA VAL A 61 25.569 23.187 28.260 1.00 6.62 C +ATOM 415 C VAL A 61 25.711 23.686 26.824 1.00 8.91 C +ATOM 416 O VAL A 61 26.059 22.919 25.922 1.00 9.53 O +ATOM 417 CB VAL A 61 24.438 22.171 28.326 1.00 6.87 C +ATOM 418 CG1 VAL A 61 24.431 21.520 29.713 1.00 7.42 C +ATOM 419 CG2 VAL A 61 23.112 22.825 28.030 1.00 7.03 C +ATOM 420 N ASP A 62 25.475 24.972 26.627 1.00 8.75 N +ATOM 421 CA ASP A 62 25.584 25.603 25.319 1.00 8.55 C +ATOM 422 C ASP A 62 26.989 25.367 24.736 1.00 11.30 C +ATOM 423 O ASP A 62 28.005 25.586 25.431 1.00 10.81 O +ATOM 424 CB ASP A 62 25.353 27.111 25.503 1.00 8.27 C +ATOM 425 CG ASP A 62 25.187 27.867 24.190 1.00 8.43 C +ATOM 426 OD1 ASP A 62 25.690 27.427 23.146 1.00 8.71 O +ATOM 427 OD2 ASP A 62 24.557 28.925 24.205 1.00 8.39 O +ATOM 428 N PRO A 63 27.080 24.866 23.476 1.00 12.56 N +ATOM 429 CA PRO A 63 28.382 24.631 22.819 1.00 13.88 C +ATOM 430 C PRO A 63 29.279 25.913 22.823 1.00 13.88 C +ATOM 431 O PRO A 63 30.501 25.827 22.700 1.00 14.99 O +ATOM 432 CB PRO A 63 27.974 24.300 21.376 1.00 13.54 C +ATOM 433 CG PRO A 63 26.673 23.636 21.522 1.00 14.06 C +ATOM 434 CD PRO A 63 25.967 24.400 22.620 1.00 12.54 C +ATOM 435 N ASN A 64 28.637 27.082 22.853 1.00 12.10 N +ATOM 436 CA ASN A 64 29.268 28.411 22.895 1.00 12.80 C +ATOM 437 C ASN A 64 28.737 28.972 24.221 1.00 11.37 C +ATOM 438 O ASN A 64 27.774 29.745 24.240 1.00 10.81 O +ATOM 439 CB ASN A 64 28.721 29.252 21.744 1.00 16.42 C +ATOM 440 CG ASN A 64 28.933 28.585 20.400 1.00 19.47 C +ATOM 441 OD1 ASN A 64 30.054 28.195 20.086 1.00 21.84 O +ATOM 442 ND2 ASN A 64 27.854 28.396 19.627 1.00 18.94 N +ATOM 443 N PRO A 65 29.375 28.603 25.346 1.00 12.56 N +ATOM 444 CA PRO A 65 28.931 29.055 26.679 1.00 10.87 C +ATOM 445 C PRO A 65 28.585 30.522 26.809 1.00 11.26 C +ATOM 446 O PRO A 65 27.579 30.869 27.419 1.00 11.24 O +ATOM 447 CB PRO A 65 30.101 28.658 27.597 1.00 9.96 C +ATOM 448 CG PRO A 65 30.657 27.463 26.954 1.00 13.21 C +ATOM 449 CD PRO A 65 30.629 27.843 25.452 1.00 11.29 C +ATOM 450 N THR A 66 29.389 31.384 26.204 1.00 12.19 N +ATOM 451 CA THR A 66 29.171 32.809 26.317 1.00 13.97 C +ATOM 452 C THR A 66 27.901 33.305 25.660 1.00 13.30 C +ATOM 453 O THR A 66 27.466 34.442 25.903 1.00 11.97 O +ATOM 454 CB THR A 66 30.340 33.587 25.771 1.00 16.83 C +ATOM 455 OG1 THR A 66 30.464 33.294 24.381 1.00 19.86 O +ATOM 456 CG2 THR A 66 31.616 33.222 26.514 1.00 17.08 C +ATOM 457 N LYS A 67 27.282 32.445 24.853 1.00 11.43 N +ATOM 458 CA LYS A 67 26.033 32.818 24.216 1.00 9.96 C +ATOM 459 C LYS A 67 24.861 32.660 25.179 1.00 8.66 C +ATOM 460 O LYS A 67 23.800 33.270 25.002 1.00 8.45 O +ATOM 461 CB LYS A 67 25.816 32.014 22.929 1.00 11.04 C +ATOM 462 CG LYS A 67 26.754 32.469 21.827 1.00 12.97 C +ATOM 463 CD LYS A 67 26.247 32.098 20.448 1.00 13.74 C +ATOM 464 CE LYS A 67 27.206 32.561 19.346 1.00 16.54 C +ATOM 465 NZ LYS A 67 27.554 34.039 19.328 1.00 19.71 N +ATOM 466 N SER A 68 25.040 31.815 26.191 1.00 6.72 N +ATOM 467 CA SER A 68 23.972 31.583 27.151 1.00 7.29 C +ATOM 468 C SER A 68 24.270 32.227 28.508 1.00 7.33 C +ATOM 469 O SER A 68 23.352 32.481 29.275 1.00 7.26 O +ATOM 470 CB SER A 68 23.828 30.076 27.370 1.00 7.30 C +ATOM 471 OG SER A 68 23.154 29.461 26.307 1.00 8.83 O +ATOM 472 N PHE A 69 25.544 32.506 28.757 1.00 7.71 N +ATOM 473 CA PHE A 69 26.010 33.016 30.046 1.00 8.52 C +ATOM 474 C PHE A 69 26.862 34.280 29.974 1.00 9.03 C +ATOM 475 O PHE A 69 27.810 34.378 29.186 1.00 8.38 O +ATOM 476 CB PHE A 69 26.811 31.889 30.726 1.00 7.55 C +ATOM 477 CG PHE A 69 27.429 32.271 32.054 1.00 10.00 C +ATOM 478 CD1 PHE A 69 28.700 32.836 32.116 1.00 9.90 C +ATOM 479 CD2 PHE A 69 26.753 32.026 33.235 1.00 10.09 C +ATOM 480 CE1 PHE A 69 29.293 33.148 33.342 1.00 9.92 C +ATOM 481 CE2 PHE A 69 27.352 32.340 34.471 1.00 10.30 C +ATOM 482 CZ PHE A 69 28.620 32.897 34.510 1.00 9.55 C +ATOM 483 N ASP A 70 26.581 35.216 30.872 1.00 6.98 N +ATOM 484 CA ASP A 70 27.331 36.447 30.910 1.00 7.86 C +ATOM 485 C ASP A 70 27.283 36.981 32.348 1.00 7.65 C +ATOM 486 O ASP A 70 26.399 36.617 33.126 1.00 6.06 O +ATOM 487 CB ASP A 70 26.661 37.459 29.961 1.00 10.30 C +ATOM 488 CG ASP A 70 27.530 38.670 29.674 1.00 13.25 C +ATOM 489 OD1 ASP A 70 28.776 38.593 29.846 1.00 14.90 O +ATOM 490 OD2 ASP A 70 26.949 39.703 29.250 1.00 16.83 O +ATOM 491 N THR A 71 28.218 37.864 32.667 1.00 6.70 N +ATOM 492 CA THR A 71 28.258 38.509 33.979 1.00 7.68 C +ATOM 493 C THR A 71 28.720 39.935 33.750 1.00 8.41 C +ATOM 494 O THR A 71 29.389 40.217 32.742 1.00 9.61 O +ATOM 495 CB THR A 71 29.253 37.852 34.952 1.00 8.03 C +ATOM 496 OG1 THR A 71 30.585 37.940 34.423 1.00 8.55 O +ATOM 497 CG2 THR A 71 28.871 36.391 35.262 1.00 7.13 C +ATOM 498 N ALA A 72 28.356 40.837 34.661 1.00 8.04 N +ATOM 499 CA ALA A 72 28.785 42.236 34.585 1.00 8.74 C +ATOM 500 C ALA A 72 29.232 42.584 36.002 1.00 9.20 C +ATOM 501 O ALA A 72 28.471 42.383 36.943 1.00 9.87 O +ATOM 502 CB ALA A 72 27.633 43.144 34.178 1.00 6.89 C +ATOM 503 N VAL A 73 30.451 43.073 36.142 1.00 7.23 N +ATOM 504 CA VAL A 73 30.978 43.457 37.466 1.00 7.55 C +ATOM 505 C VAL A 73 31.083 44.985 37.530 1.00 6.20 C +ATOM 506 O VAL A 73 31.593 45.633 36.602 1.00 6.79 O +ATOM 507 CB VAL A 73 32.366 42.786 37.725 1.00 7.42 C +ATOM 508 CG1 VAL A 73 33.013 43.323 39.011 1.00 5.83 C +ATOM 509 CG2 VAL A 73 32.175 41.276 37.794 1.00 7.18 C +ATOM 510 N TYR A 74 30.526 45.566 38.594 1.00 6.36 N +ATOM 511 CA TYR A 74 30.532 47.014 38.792 1.00 5.41 C +ATOM 512 C TYR A 74 31.251 47.314 40.120 1.00 6.67 C +ATOM 513 O TYR A 74 30.620 47.365 41.176 1.00 8.56 O +ATOM 514 CB TYR A 74 29.087 47.501 38.839 1.00 5.25 C +ATOM 515 CG TYR A 74 28.396 47.304 37.501 1.00 7.10 C +ATOM 516 CD1 TYR A 74 28.802 48.036 36.379 1.00 8.18 C +ATOM 517 CD2 TYR A 74 27.412 46.304 37.331 1.00 7.00 C +ATOM 518 CE1 TYR A 74 28.256 47.768 35.111 1.00 8.66 C +ATOM 519 CE2 TYR A 74 26.862 46.034 36.074 1.00 8.17 C +ATOM 520 CZ TYR A 74 27.296 46.770 34.963 1.00 8.12 C +ATOM 521 OH TYR A 74 26.794 46.485 33.700 1.00 9.60 O +ATOM 522 N PRO A 75 32.564 47.522 40.077 1.00 6.84 N +ATOM 523 CA PRO A 75 33.333 47.801 41.295 1.00 7.82 C +ATOM 524 C PRO A 75 32.872 48.997 42.116 1.00 9.91 C +ATOM 525 O PRO A 75 32.951 48.973 43.339 1.00 10.57 O +ATOM 526 CB PRO A 75 34.739 48.042 40.770 1.00 9.11 C +ATOM 527 CG PRO A 75 34.774 47.280 39.478 1.00 9.97 C +ATOM 528 CD PRO A 75 33.422 47.561 38.890 1.00 8.53 C +ATOM 529 N ASP A 76 32.447 50.065 41.445 1.00 11.10 N +ATOM 530 CA ASP A 76 32.023 51.295 42.142 1.00 11.63 C +ATOM 531 C ASP A 76 30.801 51.000 42.995 1.00 10.62 C +ATOM 532 O ASP A 76 30.788 51.370 44.187 1.00 10.02 O +ATOM 533 CB ASP A 76 31.784 52.437 41.124 1.00 16.16 C +ATOM 534 CG ASP A 76 31.695 53.840 41.779 1.00 22.66 C +ATOM 535 OD1 ASP A 76 32.380 54.093 42.808 1.00 24.10 O +ATOM 536 OD2 ASP A 76 30.969 54.721 41.232 1.00 24.09 O +ATOM 537 N ARG A 77 29.821 50.270 42.439 1.00 6.63 N +ATOM 538 CA ARG A 77 28.621 49.897 43.191 1.00 6.74 C +ATOM 539 C ARG A 77 28.808 48.583 43.976 1.00 7.05 C +ATOM 540 O ARG A 77 27.894 48.121 44.659 1.00 9.06 O +ATOM 541 CB ARG A 77 27.389 49.832 42.285 1.00 10.99 C +ATOM 542 N LYS A 78 29.981 47.970 43.824 1.00 6.85 N +ATOM 543 CA LYS A 78 30.373 46.747 44.503 1.00 9.74 C +ATOM 544 C LYS A 78 29.452 45.582 44.196 1.00 10.72 C +ATOM 545 O LYS A 78 29.082 44.821 45.091 1.00 10.48 O +ATOM 546 CB LYS A 78 30.411 46.979 46.024 1.00 11.62 C +ATOM 547 CG LYS A 78 31.234 48.187 46.394 1.00 14.66 C +ATOM 548 CD LYS A 78 31.194 48.460 47.865 1.00 17.59 C +ATOM 549 CE LYS A 78 32.032 49.680 48.107 1.00 19.69 C +ATOM 550 NZ LYS A 78 32.319 49.816 49.577 1.00 26.85 N +ATOM 551 N MET A 79 29.098 45.406 42.927 1.00 10.94 N +ATOM 552 CA MET A 79 28.201 44.321 42.612 1.00 11.84 C +ATOM 553 C MET A 79 28.599 43.477 41.422 1.00 9.64 C +ATOM 554 O MET A 79 29.375 43.900 40.572 1.00 7.69 O +ATOM 555 CB MET A 79 26.792 44.856 42.432 1.00 16.06 C +ATOM 556 CG MET A 79 26.660 45.946 41.396 1.00 21.35 C +ATOM 557 SD MET A 79 24.999 46.769 41.456 1.00 26.83 S +ATOM 558 CE MET A 79 24.371 46.132 43.144 1.00 26.15 C +ATOM 559 N ILE A 80 28.129 42.243 41.468 1.00 8.42 N +ATOM 560 CA ILE A 80 28.354 41.251 40.435 1.00 7.10 C +ATOM 561 C ILE A 80 26.992 40.823 39.964 1.00 6.31 C +ATOM 562 O ILE A 80 26.154 40.350 40.746 1.00 6.63 O +ATOM 563 CB ILE A 80 29.077 40.036 40.984 1.00 6.59 C +ATOM 564 CG1 ILE A 80 30.418 40.482 41.580 1.00 9.44 C +ATOM 565 CG2 ILE A 80 29.292 38.999 39.842 1.00 7.79 C +ATOM 566 CD1 ILE A 80 31.117 39.383 42.352 1.00 11.13 C +ATOM 567 N VAL A 81 26.754 40.987 38.664 1.00 6.82 N +ATOM 568 CA VAL A 81 25.468 40.620 38.087 1.00 5.62 C +ATOM 569 C VAL A 81 25.650 39.345 37.279 1.00 5.62 C +ATOM 570 O VAL A 81 26.540 39.295 36.413 1.00 5.34 O +ATOM 571 CB VAL A 81 24.923 41.763 37.137 1.00 4.37 C +ATOM 572 CG1 VAL A 81 23.530 41.390 36.599 1.00 4.45 C +ATOM 573 CG2 VAL A 81 24.857 43.085 37.903 1.00 5.46 C +ATOM 574 N PHE A 82 24.855 38.318 37.577 1.00 5.86 N +ATOM 575 CA PHE A 82 24.907 37.043 36.836 1.00 5.95 C +ATOM 576 C PHE A 82 23.705 36.951 35.895 1.00 6.12 C +ATOM 577 O PHE A 82 22.538 37.084 36.313 1.00 5.67 O +ATOM 578 CB PHE A 82 24.884 35.841 37.784 1.00 7.66 C +ATOM 579 CG PHE A 82 26.100 35.727 38.662 1.00 5.96 C +ATOM 580 CD1 PHE A 82 26.179 36.442 39.877 1.00 6.68 C +ATOM 581 CD2 PHE A 82 27.133 34.866 38.319 1.00 6.44 C +ATOM 582 CE1 PHE A 82 27.286 36.282 40.732 1.00 4.53 C +ATOM 583 CE2 PHE A 82 28.233 34.706 39.164 1.00 6.30 C +ATOM 584 CZ PHE A 82 28.309 35.417 40.377 1.00 4.95 C +ATOM 585 N LEU A 83 23.988 36.659 34.620 1.00 7.02 N +ATOM 586 CA LEU A 83 22.946 36.570 33.609 1.00 6.94 C +ATOM 587 C LEU A 83 23.011 35.297 32.806 1.00 5.66 C +ATOM 588 O LEU A 83 23.983 35.072 32.089 1.00 6.54 O +ATOM 589 CB LEU A 83 23.048 37.764 32.654 1.00 9.00 C +ATOM 590 CG LEU A 83 23.106 39.120 33.383 1.00 11.73 C +ATOM 591 CD1 LEU A 83 24.250 39.970 32.834 1.00 10.90 C +ATOM 592 CD2 LEU A 83 21.733 39.800 33.356 1.00 12.27 C +ATOM 593 N PHE A 84 21.967 34.485 32.907 1.00 5.18 N +ATOM 594 CA PHE A 84 21.901 33.262 32.134 1.00 5.90 C +ATOM 595 C PHE A 84 20.593 33.260 31.363 1.00 7.35 C +ATOM 596 O PHE A 84 19.529 33.516 31.926 1.00 7.46 O +ATOM 597 CB PHE A 84 21.987 32.030 33.050 1.00 5.42 C +ATOM 598 CG PHE A 84 21.690 30.721 32.344 1.00 5.45 C +ATOM 599 CD1 PHE A 84 22.607 30.181 31.416 1.00 5.99 C +ATOM 600 CD2 PHE A 84 20.482 30.061 32.552 1.00 5.67 C +ATOM 601 CE1 PHE A 84 22.310 29.004 30.712 1.00 6.68 C +ATOM 602 CE2 PHE A 84 20.178 28.874 31.843 1.00 7.44 C +ATOM 603 CZ PHE A 84 21.094 28.356 30.929 1.00 6.92 C +ATOM 604 N ALA A 85 20.653 32.952 30.074 1.00 6.51 N +ATOM 605 CA ALA A 85 19.440 32.883 29.274 1.00 7.99 C +ATOM 606 C ALA A 85 19.813 31.902 28.168 1.00 7.16 C +ATOM 607 O ALA A 85 20.611 32.234 27.289 1.00 7.14 O +ATOM 608 CB ALA A 85 19.103 34.265 28.718 1.00 8.18 C +ATOM 609 N GLU A 86 19.316 30.675 28.271 1.00 7.04 N +ATOM 610 CA GLU A 86 19.687 29.632 27.303 1.00 6.20 C +ATOM 611 C GLU A 86 19.474 30.156 25.868 1.00 6.39 C +ATOM 612 O GLU A 86 18.404 30.656 25.517 1.00 6.19 O +ATOM 613 CB GLU A 86 18.995 28.290 27.635 1.00 5.49 C +ATOM 614 CG GLU A 86 17.525 28.206 27.312 1.00 6.96 C +ATOM 615 CD GLU A 86 17.299 27.852 25.845 1.00 6.62 C +ATOM 616 OE1 GLU A 86 18.224 27.265 25.245 1.00 6.64 O +ATOM 617 OE2 GLU A 86 16.200 28.167 25.326 1.00 8.63 O +ATOM 618 N ASP A 87 20.552 30.094 25.096 1.00 8.05 N +ATOM 619 CA ASP A 87 20.620 30.637 23.732 1.00 8.54 C +ATOM 620 C ASP A 87 19.797 29.990 22.633 1.00 9.34 C +ATOM 621 O ASP A 87 19.530 30.651 21.616 1.00 10.58 O +ATOM 622 CB ASP A 87 22.087 30.700 23.300 1.00 9.70 C +ATOM 623 CG ASP A 87 22.280 31.335 21.910 1.00 13.01 C +ATOM 624 OD1 ASP A 87 21.906 32.500 21.717 1.00 13.31 O +ATOM 625 OD2 ASP A 87 22.828 30.658 21.019 1.00 15.26 O +ATOM 626 N SER A 88 19.366 28.747 22.812 1.00 6.80 N +ATOM 627 CA SER A 88 18.636 28.069 21.735 1.00 10.11 C +ATOM 628 C SER A 88 17.265 28.640 21.438 1.00 12.64 C +ATOM 629 O SER A 88 16.771 28.513 20.308 1.00 15.33 O +ATOM 630 CB SER A 88 18.491 26.567 22.023 1.00 8.89 C +ATOM 631 OG SER A 88 17.430 26.361 22.960 1.00 8.90 O +ATOM 632 N GLY A 89 16.610 29.155 22.478 1.00 11.90 N +ATOM 633 CA GLY A 89 15.282 29.699 22.330 1.00 14.29 C +ATOM 634 C GLY A 89 14.224 28.608 22.339 1.00 14.80 C +ATOM 635 O GLY A 89 13.032 28.904 22.195 1.00 17.40 O +ATOM 636 N THR A 90 14.624 27.348 22.511 1.00 11.92 N +ATOM 637 CA THR A 90 13.634 26.262 22.531 1.00 12.21 C +ATOM 638 C THR A 90 13.654 25.562 23.896 1.00 11.34 C +ATOM 639 O THR A 90 12.827 24.681 24.169 1.00 9.68 O +ATOM 640 CB THR A 90 13.946 25.180 21.458 1.00 12.28 C +ATOM 641 OG1 THR A 90 15.051 24.364 21.912 1.00 12.90 O +ATOM 642 CG2 THR A 90 14.322 25.833 20.130 1.00 9.78 C +ATOM 643 N GLY A 91 14.643 25.933 24.707 1.00 9.46 N +ATOM 644 CA GLY A 91 14.824 25.328 26.015 1.00 8.33 C +ATOM 645 C GLY A 91 15.973 24.338 25.952 1.00 7.97 C +ATOM 646 O GLY A 91 16.404 23.825 26.994 1.00 8.54 O +ATOM 647 N ALA A 92 16.534 24.118 24.757 1.00 7.06 N +ATOM 648 CA ALA A 92 17.615 23.129 24.591 1.00 7.58 C +ATOM 649 C ALA A 92 18.857 23.277 25.481 1.00 7.83 C +ATOM 650 O ALA A 92 19.434 22.268 25.906 1.00 7.66 O +ATOM 651 CB ALA A 92 18.039 22.994 23.122 1.00 5.84 C +ATOM 652 N TYR A 93 19.272 24.516 25.760 1.00 6.46 N +ATOM 653 CA TYR A 93 20.479 24.742 26.574 1.00 6.91 C +ATOM 654 C TYR A 93 20.173 25.069 28.034 1.00 6.87 C +ATOM 655 O TYR A 93 20.968 25.723 28.703 1.00 7.32 O +ATOM 656 CB TYR A 93 21.360 25.814 25.931 1.00 6.67 C +ATOM 657 CG TYR A 93 21.789 25.433 24.528 1.00 7.04 C +ATOM 658 CD1 TYR A 93 21.907 24.091 24.159 1.00 6.95 C +ATOM 659 CD2 TYR A 93 22.079 26.411 23.581 1.00 7.60 C +ATOM 660 CE1 TYR A 93 22.316 23.716 22.885 1.00 9.36 C +ATOM 661 CE2 TYR A 93 22.494 26.054 22.294 1.00 9.28 C +ATOM 662 CZ TYR A 93 22.610 24.698 21.962 1.00 10.32 C +ATOM 663 OH TYR A 93 23.088 24.341 20.709 1.00 13.74 O +ATOM 664 N ALA A 94 18.981 24.671 28.475 1.00 5.90 N +ATOM 665 CA ALA A 94 18.567 24.900 29.856 1.00 6.99 C +ATOM 666 C ALA A 94 19.492 24.080 30.748 1.00 6.45 C +ATOM 667 O ALA A 94 20.069 23.070 30.313 1.00 7.25 O +ATOM 668 CB ALA A 94 17.107 24.439 30.061 1.00 6.50 C +ATOM 669 N ILE A 95 19.721 24.583 31.960 1.00 5.65 N +ATOM 670 CA ILE A 95 20.526 23.881 32.974 1.00 6.86 C +ATOM 671 C ILE A 95 19.602 22.712 33.403 1.00 6.67 C +ATOM 672 O ILE A 95 18.414 22.920 33.684 1.00 4.04 O +ATOM 673 CB ILE A 95 20.859 24.853 34.187 1.00 6.42 C +ATOM 674 CG1 ILE A 95 21.866 25.928 33.737 1.00 5.73 C +ATOM 675 CG2 ILE A 95 21.348 24.059 35.423 1.00 6.07 C +ATOM 676 CD1 ILE A 95 22.002 27.102 34.734 1.00 4.66 C +ATOM 677 N THR A 96 20.161 21.506 33.486 1.00 7.45 N +ATOM 678 CA THR A 96 19.381 20.320 33.796 1.00 7.67 C +ATOM 679 C THR A 96 19.826 19.541 34.999 1.00 9.67 C +ATOM 680 O THR A 96 19.279 18.491 35.258 1.00 9.47 O +ATOM 681 CB THR A 96 19.416 19.337 32.599 1.00 6.53 C +ATOM 682 OG1 THR A 96 20.776 18.974 32.340 1.00 7.03 O +ATOM 683 CG2 THR A 96 18.843 20.002 31.353 1.00 7.12 C +ATOM 684 N GLU A 97 20.805 20.047 35.735 1.00 11.58 N +ATOM 685 CA GLU A 97 21.296 19.326 36.893 1.00 12.33 C +ATOM 686 C GLU A 97 22.011 20.220 37.899 1.00 12.11 C +ATOM 687 O GLU A 97 22.298 21.395 37.621 1.00 11.01 O +ATOM 688 CB GLU A 97 22.253 18.242 36.433 1.00 13.83 C +ATOM 689 CG GLU A 97 23.527 18.743 35.802 1.00 17.39 C +ATOM 690 CD GLU A 97 24.385 17.591 35.330 1.00 21.60 C +ATOM 691 OE1 GLU A 97 25.083 16.978 36.153 1.00 25.23 O +ATOM 692 OE2 GLU A 97 24.346 17.258 34.145 1.00 23.95 O +ATOM 693 N ASP A 98 22.293 19.652 39.075 1.00 10.49 N +ATOM 694 CA ASP A 98 22.985 20.394 40.127 1.00 10.80 C +ATOM 695 C ASP A 98 24.486 20.430 39.854 1.00 10.11 C +ATOM 696 O ASP A 98 25.047 19.488 39.293 1.00 12.50 O +ATOM 697 CB ASP A 98 22.740 19.739 41.490 1.00 11.31 C +ATOM 698 CG ASP A 98 21.284 19.686 41.869 1.00 12.27 C +ATOM 699 OD1 ASP A 98 20.410 20.168 41.115 1.00 11.22 O +ATOM 700 OD2 ASP A 98 21.008 19.153 42.964 1.00 14.27 O +ATOM 701 N GLY A 99 25.158 21.498 40.254 1.00 9.09 N +ATOM 702 CA GLY A 99 26.585 21.544 40.021 1.00 9.07 C +ATOM 703 C GLY A 99 27.044 22.972 40.036 1.00 7.58 C +ATOM 704 O GLY A 99 26.345 23.824 40.563 1.00 8.82 O +ATOM 705 N VAL A 100 28.178 23.233 39.407 1.00 6.21 N +ATOM 706 CA VAL A 100 28.767 24.559 39.347 1.00 7.04 C +ATOM 707 C VAL A 100 28.210 25.383 38.185 1.00 8.40 C +ATOM 708 O VAL A 100 28.335 25.025 37.000 1.00 7.89 O +ATOM 709 CB VAL A 100 30.276 24.465 39.218 1.00 6.64 C +ATOM 710 CG1 VAL A 100 30.883 25.850 39.085 1.00 7.80 C +ATOM 711 CG2 VAL A 100 30.845 23.740 40.396 1.00 7.90 C +ATOM 712 N PHE A 101 27.514 26.442 38.555 1.00 6.86 N +ATOM 713 CA PHE A 101 26.928 27.378 37.606 1.00 7.65 C +ATOM 714 C PHE A 101 28.001 28.325 37.018 1.00 9.28 C +ATOM 715 O PHE A 101 27.985 28.616 35.801 1.00 8.23 O +ATOM 716 CB PHE A 101 25.823 28.184 38.328 1.00 7.94 C +ATOM 717 CG PHE A 101 25.320 29.388 37.567 1.00 7.62 C +ATOM 718 CD1 PHE A 101 24.556 29.234 36.405 1.00 6.52 C +ATOM 719 CD2 PHE A 101 25.543 30.680 38.062 1.00 7.36 C +ATOM 720 CE1 PHE A 101 24.025 30.341 35.772 1.00 5.21 C +ATOM 721 CE2 PHE A 101 25.008 31.796 37.416 1.00 7.46 C +ATOM 722 CZ PHE A 101 24.245 31.615 36.267 1.00 7.20 C +ATOM 723 N ALA A 102 28.918 28.812 37.863 1.00 7.33 N +ATOM 724 CA ALA A 102 29.953 29.744 37.434 1.00 7.10 C +ATOM 725 C ALA A 102 31.100 29.672 38.394 1.00 7.78 C +ATOM 726 O ALA A 102 30.956 29.120 39.478 1.00 8.80 O +ATOM 727 CB ALA A 102 29.407 31.154 37.446 1.00 8.58 C +ATOM 728 N THR A 103 32.242 30.199 37.992 1.00 8.33 N +ATOM 729 CA THR A 103 33.396 30.242 38.868 1.00 9.04 C +ATOM 730 C THR A 103 33.943 31.651 38.859 1.00 10.00 C +ATOM 731 O THR A 103 34.326 32.177 37.817 1.00 9.93 O +ATOM 732 CB THR A 103 34.496 29.247 38.445 1.00 9.19 C +ATOM 733 OG1 THR A 103 33.968 27.917 38.512 1.00 10.19 O +ATOM 734 CG2 THR A 103 35.727 29.360 39.369 1.00 8.68 C +ATOM 735 N ILE A 104 33.919 32.305 40.016 1.00 8.03 N +ATOM 736 CA ILE A 104 34.453 33.645 40.107 1.00 8.81 C +ATOM 737 C ILE A 104 35.959 33.488 40.282 1.00 8.95 C +ATOM 738 O ILE A 104 36.410 32.682 41.096 1.00 10.61 O +ATOM 739 CB ILE A 104 33.891 34.409 41.353 1.00 7.28 C +ATOM 740 CG1 ILE A 104 32.374 34.530 41.278 1.00 9.13 C +ATOM 741 CG2 ILE A 104 34.554 35.800 41.507 1.00 7.09 C +ATOM 742 CD1 ILE A 104 31.722 34.773 42.671 1.00 9.47 C +ATOM 743 N VAL A 105 36.737 34.203 39.476 1.00 8.43 N +ATOM 744 CA VAL A 105 38.188 34.183 39.579 1.00 7.39 C +ATOM 745 C VAL A 105 38.533 35.562 40.128 1.00 9.23 C +ATOM 746 O VAL A 105 38.307 36.598 39.476 1.00 8.54 O +ATOM 747 CB VAL A 105 38.841 33.929 38.228 1.00 7.50 C +ATOM 748 CG1 VAL A 105 40.354 33.968 38.343 1.00 6.05 C +ATOM 749 CG2 VAL A 105 38.373 32.587 37.720 1.00 8.19 C +ATOM 750 N ALA A 106 39.037 35.590 41.353 1.00 9.84 N +ATOM 751 CA ALA A 106 39.339 36.873 41.959 1.00 12.30 C +ATOM 752 C ALA A 106 40.719 36.860 42.563 1.00 13.17 C +ATOM 753 O ALA A 106 41.173 35.816 43.027 1.00 12.51 O +ATOM 754 CB ALA A 106 38.309 37.163 43.048 1.00 13.23 C +ATOM 755 N LYS A 107 41.393 38.006 42.506 1.00 13.87 N +ATOM 756 CA LYS A 107 42.715 38.146 43.106 1.00 14.11 C +ATOM 757 C LYS A 107 42.550 38.836 44.475 1.00 13.67 C +ATOM 758 O LYS A 107 41.845 39.858 44.589 1.00 10.99 O +ATOM 759 CB LYS A 107 43.652 38.974 42.225 1.00 14.73 C +ATOM 760 CG LYS A 107 45.057 39.031 42.814 1.00 17.01 C +ATOM 761 CD LYS A 107 46.011 39.906 42.028 1.00 21.45 C +ATOM 762 CE LYS A 107 47.458 39.615 42.427 1.00 23.63 C +ATOM 763 NZ LYS A 107 48.488 40.660 42.042 1.00 27.10 N +ATOM 764 N VAL A 108 43.119 38.234 45.525 1.00 13.87 N +ATOM 765 CA VAL A 108 43.066 38.842 46.864 1.00 11.60 C +ATOM 766 C VAL A 108 44.144 39.921 46.891 1.00 10.96 C +ATOM 767 O VAL A 108 45.334 39.629 46.701 1.00 10.09 O +ATOM 768 CB VAL A 108 43.340 37.801 47.958 1.00 10.59 C +ATOM 769 CG1 VAL A 108 43.350 38.473 49.330 1.00 10.41 C +ATOM 770 CG2 VAL A 108 42.290 36.715 47.903 1.00 10.75 C +ATOM 771 N LYS A 109 43.736 41.173 47.038 1.00 11.98 N +ATOM 772 CA LYS A 109 44.697 42.272 47.064 1.00 15.61 C +ATOM 773 C LYS A 109 45.833 42.048 48.090 1.00 18.25 C +ATOM 774 O LYS A 109 45.608 41.553 49.208 1.00 16.56 O +ATOM 775 CB LYS A 109 43.965 43.592 47.305 1.00 17.97 C +ATOM 776 CG LYS A 109 42.998 43.939 46.186 1.00 22.28 C +ATOM 777 CD LYS A 109 42.737 45.430 46.131 1.00 24.67 C +ATOM 778 CE LYS A 109 42.121 45.833 44.824 1.00 27.45 C +ATOM 779 NZ LYS A 109 42.303 47.312 44.641 1.00 30.83 N +ATOM 780 N SER A 110 47.060 42.382 47.691 1.00 19.96 N +ATOM 781 CA SER A 110 48.217 42.171 48.554 1.00 22.24 C +ATOM 782 C SER A 110 48.139 42.686 49.988 1.00 23.80 C +ATOM 783 O SER A 110 48.734 42.085 50.884 1.00 24.90 O +ATOM 784 CB SER A 110 49.459 42.649 47.892 1.00 23.07 C +ATOM 785 N GLY A 111 47.398 43.763 50.220 1.00 23.72 N +ATOM 786 CA GLY A 111 47.274 44.268 51.579 1.00 25.51 C +ATOM 787 C GLY A 111 45.964 43.926 52.292 1.00 26.56 C +ATOM 788 O GLY A 111 45.613 44.565 53.290 1.00 26.90 O +ATOM 789 N ALA A 112 45.231 42.931 51.792 1.00 25.28 N +ATOM 790 CA ALA A 112 43.955 42.548 52.393 1.00 24.64 C +ATOM 791 C ALA A 112 44.139 41.993 53.801 1.00 23.87 C +ATOM 792 O ALA A 112 45.092 41.239 54.074 1.00 22.90 O +ATOM 793 CB ALA A 112 43.231 41.532 51.521 1.00 22.82 C +ATOM 794 N PRO A 113 43.213 42.355 54.716 1.00 24.37 N +ATOM 795 CA PRO A 113 43.270 41.886 56.107 1.00 23.00 C +ATOM 796 C PRO A 113 42.884 40.430 56.195 1.00 23.12 C +ATOM 797 O PRO A 113 42.209 39.896 55.304 1.00 20.70 O +ATOM 798 CB PRO A 113 42.224 42.760 56.806 1.00 22.75 C +ATOM 799 CG PRO A 113 41.218 42.994 55.745 1.00 23.23 C +ATOM 800 CD PRO A 113 42.071 43.269 54.517 1.00 23.10 C +ATOM 801 N ASN A 114 43.329 39.763 57.248 1.00 22.49 N +ATOM 802 CA ASN A 114 42.939 38.379 57.411 1.00 22.93 C +ATOM 803 C ASN A 114 41.474 38.391 57.854 1.00 20.27 C +ATOM 804 O ASN A 114 40.991 39.424 58.302 1.00 19.43 O +ATOM 805 CB ASN A 114 43.877 37.665 58.372 1.00 27.24 C +ATOM 806 CG ASN A 114 45.277 37.514 57.780 1.00 30.87 C +ATOM 807 OD1 ASN A 114 45.624 38.171 56.770 1.00 32.97 O +ATOM 808 ND2 ASN A 114 46.086 36.654 58.392 1.00 32.24 N +ATOM 809 N GLY A 115 40.764 37.293 57.606 1.00 16.48 N +ATOM 810 CA GLY A 115 39.360 37.227 57.929 1.00 15.96 C +ATOM 811 C GLY A 115 38.497 37.088 56.674 1.00 15.52 C +ATOM 812 O GLY A 115 38.992 37.181 55.536 1.00 15.56 O +ATOM 813 N LEU A 116 37.191 36.949 56.873 1.00 12.61 N +ATOM 814 CA LEU A 116 36.285 36.773 55.757 1.00 11.88 C +ATOM 815 C LEU A 116 35.932 38.037 54.964 1.00 11.89 C +ATOM 816 O LEU A 116 35.563 39.081 55.519 1.00 11.51 O +ATOM 817 CB LEU A 116 35.009 36.083 56.240 1.00 10.51 C +ATOM 818 CG LEU A 116 33.923 35.660 55.257 1.00 10.48 C +ATOM 819 CD1 LEU A 116 34.399 34.488 54.430 1.00 9.01 C +ATOM 820 CD2 LEU A 116 32.655 35.283 56.041 1.00 11.13 C +ATOM 821 N SER A 117 36.052 37.925 53.637 1.00 11.61 N +ATOM 822 CA SER A 117 35.652 39.020 52.726 1.00 8.80 C +ATOM 823 C SER A 117 34.381 38.398 52.160 1.00 8.50 C +ATOM 824 O SER A 117 34.433 37.357 51.494 1.00 9.39 O +ATOM 825 CB SER A 117 36.668 39.267 51.623 1.00 8.92 C +ATOM 826 OG SER A 117 36.333 40.440 50.897 1.00 8.24 O +ATOM 827 N VAL A 118 33.242 38.996 52.483 1.00 8.65 N +ATOM 828 CA VAL A 118 31.948 38.460 52.104 1.00 8.70 C +ATOM 829 C VAL A 118 31.464 38.753 50.695 1.00 8.09 C +ATOM 830 O VAL A 118 31.633 39.859 50.195 1.00 8.35 O +ATOM 831 CB VAL A 118 30.836 38.941 53.087 1.00 8.69 C +ATOM 832 CG1 VAL A 118 29.527 38.241 52.769 1.00 9.72 C +ATOM 833 CG2 VAL A 118 31.225 38.622 54.567 1.00 9.58 C +ATOM 834 N ILE A 119 30.890 37.720 50.077 1.00 8.15 N +ATOM 835 CA ILE A 119 30.254 37.820 48.753 1.00 7.11 C +ATOM 836 C ILE A 119 28.800 37.517 49.165 1.00 4.81 C +ATOM 837 O ILE A 119 28.433 36.386 49.504 1.00 5.70 O +ATOM 838 CB ILE A 119 30.856 36.832 47.706 1.00 6.54 C +ATOM 839 CG1 ILE A 119 32.309 37.251 47.411 1.00 7.75 C +ATOM 840 CG2 ILE A 119 29.996 36.861 46.427 1.00 5.49 C +ATOM 841 CD1 ILE A 119 33.135 36.281 46.614 1.00 7.59 C +ATOM 842 N LYS A 120 28.017 38.580 49.220 1.00 5.64 N +ATOM 843 CA LYS A 120 26.661 38.558 49.717 1.00 7.84 C +ATOM 844 C LYS A 120 25.570 38.681 48.683 1.00 7.90 C +ATOM 845 O LYS A 120 25.653 39.539 47.789 1.00 6.85 O +ATOM 846 CB LYS A 120 26.516 39.726 50.732 1.00 10.97 C +ATOM 847 CG LYS A 120 25.311 39.640 51.652 1.00 14.43 C +ATOM 848 CD LYS A 120 25.199 40.829 52.592 1.00 18.05 C +ATOM 849 CE LYS A 120 24.061 40.558 53.593 1.00 20.46 C +ATOM 850 NZ LYS A 120 23.902 41.651 54.569 1.00 24.93 N +ATOM 851 N PHE A 121 24.527 37.860 48.842 1.00 7.95 N +ATOM 852 CA PHE A 121 23.372 37.868 47.934 1.00 9.76 C +ATOM 853 C PHE A 121 22.693 39.216 48.028 1.00 9.76 C +ATOM 854 O PHE A 121 22.457 39.706 49.141 1.00 12.30 O +ATOM 855 CB PHE A 121 22.342 36.825 48.342 1.00 9.36 C +ATOM 856 CG PHE A 121 21.060 36.943 47.586 1.00 10.41 C +ATOM 857 CD1 PHE A 121 21.028 36.697 46.200 1.00 9.79 C +ATOM 858 CD2 PHE A 121 19.889 37.286 48.225 1.00 9.90 C +ATOM 859 CE1 PHE A 121 19.844 36.786 45.496 1.00 8.55 C +ATOM 860 CE2 PHE A 121 18.673 37.382 47.512 1.00 10.40 C +ATOM 861 CZ PHE A 121 18.655 37.129 46.159 1.00 10.28 C +ATOM 862 N VAL A 122 22.393 39.830 46.884 1.00 8.26 N +ATOM 863 CA VAL A 122 21.717 41.124 46.878 1.00 7.20 C +ATOM 864 C VAL A 122 20.283 41.019 46.354 1.00 7.86 C +ATOM 865 O VAL A 122 19.321 41.394 47.038 1.00 7.58 O +ATOM 866 CB VAL A 122 22.513 42.173 46.089 1.00 8.36 C +ATOM 867 CG1 VAL A 122 21.665 43.446 45.804 1.00 9.64 C +ATOM 868 CG2 VAL A 122 23.784 42.549 46.822 1.00 8.51 C +ATOM 869 N GLU A 123 20.104 40.446 45.170 1.00 6.76 N +ATOM 870 CA GLU A 123 18.758 40.386 44.582 1.00 7.88 C +ATOM 871 C GLU A 123 18.647 39.364 43.441 1.00 7.01 C +ATOM 872 O GLU A 123 19.635 39.072 42.793 1.00 7.53 O +ATOM 873 CB GLU A 123 18.395 41.758 44.010 1.00 7.44 C +ATOM 874 CG GLU A 123 16.928 41.867 43.579 1.00 8.48 C +ATOM 875 CD GLU A 123 16.460 43.291 43.336 1.00 8.15 C +ATOM 876 OE1 GLU A 123 17.206 44.246 43.624 1.00 8.79 O +ATOM 877 OE2 GLU A 123 15.312 43.450 42.858 1.00 10.34 O +ATOM 878 N VAL A 124 17.465 38.784 43.265 1.00 8.55 N +ATOM 879 CA VAL A 124 17.236 37.861 42.157 1.00 9.61 C +ATOM 880 C VAL A 124 16.194 38.525 41.247 1.00 10.98 C +ATOM 881 O VAL A 124 15.327 39.274 41.708 1.00 10.98 O +ATOM 882 CB VAL A 124 16.777 36.423 42.622 1.00 9.18 C +ATOM 883 CG1 VAL A 124 15.475 36.455 43.406 1.00 8.17 C +ATOM 884 CG2 VAL A 124 16.623 35.491 41.416 1.00 8.43 C +ATOM 885 N GLY A 125 16.387 38.370 39.943 1.00 9.57 N +ATOM 886 CA GLY A 125 15.417 38.871 38.992 1.00 8.55 C +ATOM 887 C GLY A 125 14.617 37.639 38.620 1.00 10.16 C +ATOM 888 O GLY A 125 13.813 37.153 39.405 1.00 11.38 O +ATOM 889 N GLY A 126 14.866 37.079 37.442 1.00 9.70 N +ATOM 890 CA GLY A 126 14.151 35.886 37.054 1.00 8.68 C +ATOM 891 C GLY A 126 14.924 34.608 37.381 1.00 8.75 C +ATOM 892 O GLY A 126 16.152 34.602 37.550 1.00 8.34 O +ATOM 893 N PHE A 127 14.194 33.507 37.449 1.00 8.43 N +ATOM 894 CA PHE A 127 14.795 32.226 37.735 1.00 9.04 C +ATOM 895 C PHE A 127 13.709 31.258 37.328 1.00 9.62 C +ATOM 896 O PHE A 127 12.983 30.750 38.176 1.00 10.63 O +ATOM 897 CB PHE A 127 15.126 32.116 39.228 1.00 7.66 C +ATOM 898 CG PHE A 127 16.328 31.255 39.508 1.00 8.68 C +ATOM 899 CD1 PHE A 127 16.287 29.878 39.274 1.00 8.21 C +ATOM 900 CD2 PHE A 127 17.519 31.823 39.970 1.00 9.06 C +ATOM 901 CE1 PHE A 127 17.398 29.096 39.492 1.00 8.29 C +ATOM 902 CE2 PHE A 127 18.642 31.041 40.187 1.00 9.15 C +ATOM 903 CZ PHE A 127 18.586 29.678 39.951 1.00 8.98 C +ATOM 904 N ALA A 128 13.660 30.923 36.039 1.00 8.28 N +ATOM 905 CA ALA A 128 12.569 30.104 35.514 1.00 7.96 C +ATOM 906 C ALA A 128 12.933 28.778 34.846 1.00 7.53 C +ATOM 907 O ALA A 128 14.024 28.635 34.293 1.00 7.57 O +ATOM 908 CB ALA A 128 11.743 30.979 34.502 1.00 7.92 C +ATOM 909 N ASN A 129 11.975 27.857 34.835 1.00 7.27 N +ATOM 910 CA ASN A 129 12.160 26.542 34.222 1.00 8.23 C +ATOM 911 C ASN A 129 11.858 26.607 32.719 1.00 8.83 C +ATOM 912 O ASN A 129 11.584 27.708 32.193 1.00 7.83 O +ATOM 913 CB ASN A 129 11.321 25.464 34.947 1.00 7.28 C +ATOM 914 CG ASN A 129 9.793 25.597 34.737 1.00 9.31 C +ATOM 915 OD1 ASN A 129 9.010 24.876 35.376 1.00 13.76 O +ATOM 916 ND2 ASN A 129 9.374 26.476 33.876 1.00 6.86 N +ATOM 917 N ASN A 130 11.902 25.462 32.029 1.00 7.51 N +ATOM 918 CA ASN A 130 11.627 25.471 30.579 1.00 9.14 C +ATOM 919 C ASN A 130 10.185 25.826 30.208 1.00 11.02 C +ATOM 920 O ASN A 130 9.884 26.089 29.038 1.00 12.81 O +ATOM 921 CB ASN A 130 12.104 24.189 29.878 1.00 8.83 C +ATOM 922 CG ASN A 130 13.523 24.293 29.363 1.00 7.02 C +ATOM 923 OD1 ASN A 130 14.053 25.395 29.113 1.00 7.51 O +ATOM 924 ND2 ASN A 130 14.160 23.149 29.205 1.00 8.49 N +ATOM 925 N ASP A 131 9.288 25.818 31.194 1.00 10.42 N +ATOM 926 CA ASP A 131 7.897 26.261 30.967 1.00 12.45 C +ATOM 927 C ASP A 131 7.840 27.775 31.225 1.00 11.92 C +ATOM 928 O ASP A 131 6.770 28.387 31.138 1.00 11.22 O +ATOM 929 CB ASP A 131 6.926 25.600 31.941 1.00 13.77 C +ATOM 930 CG ASP A 131 6.614 24.189 31.573 1.00 15.50 C +ATOM 931 OD1 ASP A 131 6.798 23.812 30.398 1.00 17.14 O +ATOM 932 OD2 ASP A 131 6.221 23.440 32.478 1.00 17.88 O +ATOM 933 N LEU A 132 9.017 28.350 31.512 1.00 13.13 N +ATOM 934 CA LEU A 132 9.206 29.774 31.836 1.00 13.91 C +ATOM 935 C LEU A 132 8.429 30.156 33.096 1.00 13.64 C +ATOM 936 O LEU A 132 7.973 31.282 33.222 1.00 15.79 O +ATOM 937 CB LEU A 132 8.824 30.682 30.658 1.00 12.99 C +ATOM 938 CG LEU A 132 9.616 30.392 29.384 1.00 13.46 C +ATOM 939 CD1 LEU A 132 9.303 31.444 28.348 1.00 12.91 C +ATOM 940 CD2 LEU A 132 11.101 30.328 29.681 1.00 12.63 C +ATOM 941 N VAL A 133 8.239 29.185 33.993 1.00 13.40 N +ATOM 942 CA VAL A 133 7.546 29.384 35.280 1.00 11.82 C +ATOM 943 C VAL A 133 8.637 29.709 36.309 1.00 11.94 C +ATOM 944 O VAL A 133 9.675 29.031 36.390 1.00 10.63 O +ATOM 945 CB VAL A 133 6.788 28.114 35.722 1.00 11.83 C +ATOM 946 CG1 VAL A 133 6.276 28.270 37.110 1.00 12.76 C +ATOM 947 CG2 VAL A 133 5.618 27.861 34.818 1.00 12.16 C +ATOM 948 N GLU A 134 8.429 30.785 37.057 1.00 12.06 N +ATOM 949 CA GLU A 134 9.388 31.198 38.071 1.00 11.47 C +ATOM 950 C GLU A 134 9.500 30.125 39.120 1.00 10.87 C +ATOM 951 O GLU A 134 8.491 29.575 39.555 1.00 11.46 O +ATOM 952 CB GLU A 134 8.919 32.510 38.709 1.00 11.95 C +ATOM 953 CG GLU A 134 8.961 33.660 37.760 1.00 11.71 C +ATOM 954 CD GLU A 134 10.365 33.940 37.298 1.00 13.60 C +ATOM 955 OE1 GLU A 134 11.305 33.809 38.100 1.00 12.08 O +ATOM 956 OE2 GLU A 134 10.539 34.291 36.127 1.00 15.85 O +ATOM 957 N GLN A 135 10.727 29.804 39.498 1.00 11.18 N +ATOM 958 CA GLN A 135 11.010 28.786 40.512 1.00 10.94 C +ATOM 959 C GLN A 135 11.339 29.456 41.866 1.00 10.46 C +ATOM 960 O GLN A 135 11.754 30.607 41.898 1.00 11.12 O +ATOM 961 CB GLN A 135 12.205 27.930 40.065 1.00 11.72 C +ATOM 962 CG GLN A 135 11.981 27.248 38.722 1.00 11.89 C +ATOM 963 CD GLN A 135 10.831 26.258 38.776 1.00 10.95 C +ATOM 964 OE1 GLN A 135 10.915 25.251 39.468 1.00 11.09 O +ATOM 965 NE2 GLN A 135 9.744 26.559 38.079 1.00 11.48 N +ATOM 966 N LYS A 136 11.048 28.776 42.968 1.00 10.67 N +ATOM 967 CA LYS A 136 11.389 29.327 44.290 1.00 10.42 C +ATOM 968 C LYS A 136 12.904 29.138 44.412 1.00 9.37 C +ATOM 969 O LYS A 136 13.466 28.147 43.923 1.00 10.74 O +ATOM 970 CB LYS A 136 10.638 28.556 45.422 1.00 11.61 C +ATOM 971 N THR A 137 13.577 30.117 45.006 1.00 10.64 N +ATOM 972 CA THR A 137 15.024 30.061 45.178 1.00 9.81 C +ATOM 973 C THR A 137 15.392 30.393 46.629 1.00 10.92 C +ATOM 974 O THR A 137 14.605 31.016 47.365 1.00 12.14 O +ATOM 975 CB THR A 137 15.744 31.110 44.274 1.00 9.13 C +ATOM 976 OG1 THR A 137 15.201 32.430 44.532 1.00 10.30 O +ATOM 977 CG2 THR A 137 15.549 30.751 42.812 1.00 9.97 C +ATOM 978 N GLN A 138 16.598 30.011 47.009 1.00 9.44 N +ATOM 979 CA GLN A 138 17.124 30.310 48.321 1.00 9.82 C +ATOM 980 C GLN A 138 18.602 30.525 48.022 1.00 8.89 C +ATOM 981 O GLN A 138 19.293 29.612 47.520 1.00 9.93 O +ATOM 982 CB GLN A 138 16.888 29.125 49.286 1.00 9.70 C +ATOM 983 N PHE A 139 19.056 31.760 48.242 1.00 8.21 N +ATOM 984 CA PHE A 139 20.425 32.149 47.994 1.00 9.21 C +ATOM 985 C PHE A 139 21.258 32.242 49.255 1.00 11.05 C +ATOM 986 O PHE A 139 20.818 32.837 50.244 1.00 11.68 O +ATOM 987 CB PHE A 139 20.460 33.493 47.317 1.00 8.61 C +ATOM 988 CG PHE A 139 20.038 33.452 45.891 1.00 7.87 C +ATOM 989 CD1 PHE A 139 18.703 33.456 45.554 1.00 9.85 C +ATOM 990 CD2 PHE A 139 20.976 33.487 44.890 1.00 7.56 C +ATOM 991 CE1 PHE A 139 18.309 33.514 44.213 1.00 9.20 C +ATOM 992 CE2 PHE A 139 20.592 33.539 43.561 1.00 7.85 C +ATOM 993 CZ PHE A 139 19.268 33.555 43.227 1.00 8.02 C +ATOM 994 N PHE A 140 22.501 31.783 49.156 1.00 9.91 N +ATOM 995 CA PHE A 140 23.442 31.754 50.277 1.00 10.05 C +ATOM 996 C PHE A 140 24.730 32.520 49.969 1.00 10.00 C +ATOM 997 O PHE A 140 25.221 32.542 48.809 1.00 9.73 O +ATOM 998 CB PHE A 140 23.764 30.295 50.631 1.00 10.95 C +ATOM 999 CG PHE A 140 22.552 29.485 50.957 1.00 14.31 C +ATOM 1000 CD1 PHE A 140 21.778 28.923 49.934 1.00 16.12 C +ATOM 1001 CD2 PHE A 140 22.147 29.316 52.274 1.00 16.76 C +ATOM 1002 CE1 PHE A 140 20.622 28.210 50.210 1.00 17.62 C +ATOM 1003 CE2 PHE A 140 20.989 28.597 52.574 1.00 17.11 C +ATOM 1004 CZ PHE A 140 20.221 28.041 51.529 1.00 17.90 C +ATOM 1005 N ASP A 141 25.307 33.103 51.012 1.00 7.38 N +ATOM 1006 CA ASP A 141 26.534 33.883 50.852 1.00 8.03 C +ATOM 1007 C ASP A 141 27.803 33.042 50.924 1.00 7.30 C +ATOM 1008 O ASP A 141 27.787 31.907 51.416 1.00 8.57 O +ATOM 1009 CB ASP A 141 26.619 34.977 51.930 1.00 8.04 C +ATOM 1010 CG ASP A 141 25.373 35.841 51.986 1.00 12.12 C +ATOM 1011 OD1 ASP A 141 24.575 35.847 51.013 1.00 12.42 O +ATOM 1012 OD2 ASP A 141 25.196 36.527 53.017 1.00 11.54 O +ATOM 1013 N GLY A 142 28.884 33.599 50.391 1.00 5.65 N +ATOM 1014 CA GLY A 142 30.164 32.930 50.430 1.00 4.65 C +ATOM 1015 C GLY A 142 31.232 33.992 50.535 1.00 6.50 C +ATOM 1016 O GLY A 142 31.039 35.067 51.139 1.00 8.17 O +ATOM 1017 N GLY A 143 32.376 33.728 49.931 1.00 6.88 N +ATOM 1018 CA GLY A 143 33.460 34.682 49.984 1.00 7.42 C +ATOM 1019 C GLY A 143 34.836 34.050 50.087 1.00 6.71 C +ATOM 1020 O GLY A 143 35.036 32.890 49.762 1.00 8.22 O +ATOM 1021 N VAL A 144 35.789 34.829 50.561 1.00 6.49 N +ATOM 1022 CA VAL A 144 37.155 34.333 50.704 1.00 8.60 C +ATOM 1023 C VAL A 144 37.638 34.593 52.140 1.00 9.12 C +ATOM 1024 O VAL A 144 37.526 35.709 52.631 1.00 8.24 O +ATOM 1025 CB VAL A 144 38.097 35.053 49.734 1.00 9.00 C +ATOM 1026 CG1 VAL A 144 39.535 34.599 49.953 1.00 8.59 C +ATOM 1027 CG2 VAL A 144 37.645 34.803 48.275 1.00 8.99 C +ATOM 1028 N ASN A 145 38.105 33.550 52.811 1.00 9.76 N +ATOM 1029 CA ASN A 145 38.624 33.699 54.163 1.00 11.76 C +ATOM 1030 C ASN A 145 40.129 33.937 54.015 1.00 10.51 C +ATOM 1031 O ASN A 145 40.901 33.025 53.761 1.00 12.58 O +ATOM 1032 CB ASN A 145 38.329 32.441 54.972 1.00 14.81 C +ATOM 1033 CG ASN A 145 38.635 32.623 56.450 1.00 20.24 C +ATOM 1034 OD1 ASN A 145 38.973 33.727 56.904 1.00 23.14 O +ATOM 1035 ND2 ASN A 145 38.498 31.552 57.215 1.00 21.04 N +ATOM 1036 N VAL A 146 40.526 35.192 54.089 1.00 11.26 N +ATOM 1037 CA VAL A 146 41.924 35.552 53.931 1.00 12.10 C +ATOM 1038 C VAL A 146 42.753 35.123 55.133 1.00 14.86 C +ATOM 1039 O VAL A 146 42.406 35.408 56.280 1.00 14.27 O +ATOM 1040 CB VAL A 146 42.066 37.063 53.693 1.00 10.73 C +ATOM 1041 CG1 VAL A 146 43.526 37.453 53.480 1.00 9.08 C +ATOM 1042 CG2 VAL A 146 41.206 37.479 52.487 1.00 11.34 C +ATOM 1043 N GLY A 147 43.821 34.399 54.855 1.00 15.76 N +ATOM 1044 CA GLY A 147 44.705 33.935 55.900 1.00 22.09 C +ATOM 1045 C GLY A 147 46.152 34.219 55.519 1.00 25.21 C +ATOM 1046 O GLY A 147 46.389 34.923 54.519 1.00 27.91 O +ATOM 1047 OXT GLY A 147 47.073 33.760 56.221 1.00 29.94 O +TER 1048 GLY A 147 +END diff --git a/bench/main_benchmark/structures/SFB_OL_ETA_1AOHA_1AOHB/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_ETA_1AOHA_1AOHB/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..496a7f8a240eec63dda9b47b043f995ad8a2cda2 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_ETA_1AOHA_1AOHB/state_b.pdb @@ -0,0 +1,1082 @@ +ATOM 1 N THR B 1 29.466 69.227 27.229 1.00 22.62 N +ATOM 2 CA THR B 1 29.325 68.090 26.267 1.00 19.78 C +ATOM 3 C THR B 1 30.623 67.929 25.522 1.00 19.54 C +ATOM 4 O THR B 1 31.107 68.863 24.879 1.00 19.30 O +ATOM 5 CB THR B 1 28.180 68.342 25.273 1.00 19.29 C +ATOM 6 OG1 THR B 1 26.937 68.138 25.961 1.00 21.08 O +ATOM 7 CG2 THR B 1 28.298 67.437 24.027 1.00 16.49 C +ATOM 8 N ASP B 2 31.172 66.734 25.592 1.00 18.15 N +ATOM 9 CA ASP B 2 32.430 66.450 24.953 1.00 20.27 C +ATOM 10 C ASP B 2 32.181 65.833 23.572 1.00 19.10 C +ATOM 11 O ASP B 2 31.785 64.667 23.460 1.00 16.44 O +ATOM 12 CB ASP B 2 33.204 65.521 25.895 1.00 21.66 C +ATOM 13 CG ASP B 2 34.574 65.153 25.393 1.00 23.95 C +ATOM 14 OD1 ASP B 2 35.009 65.593 24.308 1.00 25.81 O +ATOM 15 OD2 ASP B 2 35.228 64.364 26.099 1.00 27.55 O +ATOM 16 N LEU B 3 32.442 66.600 22.518 1.00 18.77 N +ATOM 17 CA LEU B 3 32.225 66.082 21.159 1.00 20.11 C +ATOM 18 C LEU B 3 33.052 64.846 20.771 1.00 21.18 C +ATOM 19 O LEU B 3 32.768 64.183 19.781 1.00 22.74 O +ATOM 20 CB LEU B 3 32.369 67.185 20.109 1.00 18.39 C +ATOM 21 CG LEU B 3 31.366 68.310 20.335 1.00 17.21 C +ATOM 22 CD1 LEU B 3 31.558 69.396 19.319 1.00 17.27 C +ATOM 23 CD2 LEU B 3 29.962 67.764 20.288 1.00 17.33 C +ATOM 24 N ASP B 4 34.061 64.523 21.565 1.00 22.47 N +ATOM 25 CA ASP B 4 34.873 63.349 21.296 1.00 23.25 C +ATOM 26 C ASP B 4 34.414 62.157 22.141 1.00 20.99 C +ATOM 27 O ASP B 4 35.027 61.083 22.111 1.00 20.35 O +ATOM 28 CB ASP B 4 36.339 63.668 21.561 1.00 30.38 C +ATOM 29 CG ASP B 4 36.873 64.736 20.617 1.00 36.08 C +ATOM 30 OD1 ASP B 4 36.667 64.602 19.371 1.00 38.70 O +ATOM 31 OD2 ASP B 4 37.459 65.726 21.123 1.00 39.16 O +ATOM 32 N ALA B 5 33.315 62.343 22.866 1.00 15.85 N +ATOM 33 CA ALA B 5 32.783 61.301 23.705 1.00 13.73 C +ATOM 34 C ALA B 5 31.472 60.843 23.113 1.00 12.12 C +ATOM 35 O ALA B 5 30.867 61.558 22.307 1.00 11.97 O +ATOM 36 CB ALA B 5 32.527 61.857 25.099 1.00 12.72 C +ATOM 37 N VAL B 6 31.084 59.624 23.445 1.00 9.94 N +ATOM 38 CA VAL B 6 29.768 59.133 23.063 1.00 10.11 C +ATOM 39 C VAL B 6 28.880 59.667 24.214 1.00 10.31 C +ATOM 40 O VAL B 6 29.231 59.511 25.394 1.00 11.59 O +ATOM 41 CB VAL B 6 29.720 57.577 23.021 1.00 9.60 C +ATOM 42 CG1 VAL B 6 28.298 57.091 22.775 1.00 9.05 C +ATOM 43 CG2 VAL B 6 30.658 57.058 21.912 1.00 10.48 C +ATOM 44 N ARG B 7 27.813 60.399 23.912 1.00 8.49 N +ATOM 45 CA ARG B 7 26.950 60.884 24.993 1.00 8.58 C +ATOM 46 C ARG B 7 25.739 59.980 25.031 1.00 8.21 C +ATOM 47 O ARG B 7 25.115 59.712 24.002 1.00 11.30 O +ATOM 48 CB ARG B 7 26.493 62.323 24.783 1.00 9.10 C +ATOM 49 CG ARG B 7 27.618 63.347 24.769 1.00 10.66 C +ATOM 50 CD ARG B 7 27.431 64.191 23.527 1.00 16.50 C +ATOM 51 NE ARG B 7 28.345 63.734 22.529 1.00 15.14 N +ATOM 52 CZ ARG B 7 28.320 63.965 21.220 1.00 14.14 C +ATOM 53 NH1 ARG B 7 27.380 64.671 20.583 1.00 14.22 N +ATOM 54 NH2 ARG B 7 29.365 63.544 20.553 1.00 14.84 N +ATOM 55 N ILE B 8 25.427 59.485 26.210 1.00 8.80 N +ATOM 56 CA ILE B 8 24.301 58.600 26.400 1.00 9.10 C +ATOM 57 C ILE B 8 23.328 59.381 27.262 1.00 9.84 C +ATOM 58 O ILE B 8 23.700 59.879 28.330 1.00 7.72 O +ATOM 59 CB ILE B 8 24.711 57.327 27.163 1.00 8.52 C +ATOM 60 CG1 ILE B 8 25.758 56.520 26.371 1.00 6.73 C +ATOM 61 CG2 ILE B 8 23.475 56.509 27.498 1.00 6.27 C +ATOM 62 CD1 ILE B 8 27.196 56.953 26.613 1.00 8.56 C +ATOM 63 N LYS B 9 22.083 59.488 26.810 1.00 8.03 N +ATOM 64 CA LYS B 9 21.102 60.237 27.568 1.00 8.83 C +ATOM 65 C LYS B 9 19.713 59.625 27.537 1.00 8.13 C +ATOM 66 O LYS B 9 19.218 59.186 26.487 1.00 7.95 O +ATOM 67 CB LYS B 9 21.066 61.699 27.099 1.00 10.11 C +ATOM 68 CG LYS B 9 20.098 62.558 27.900 1.00 11.80 C +ATOM 69 CD LYS B 9 20.127 64.005 27.491 1.00 16.27 C +ATOM 70 CE LYS B 9 18.828 64.658 27.921 1.00 21.67 C +ATOM 71 NZ LYS B 9 17.683 64.089 27.081 1.00 23.80 N +ATOM 72 N VAL B 10 19.114 59.526 28.721 1.00 5.78 N +ATOM 73 CA VAL B 10 17.776 58.991 28.887 1.00 6.05 C +ATOM 74 C VAL B 10 16.848 60.180 28.690 1.00 7.37 C +ATOM 75 O VAL B 10 17.148 61.263 29.179 1.00 8.59 O +ATOM 76 CB VAL B 10 17.589 58.411 30.324 1.00 5.54 C +ATOM 77 CG1 VAL B 10 16.168 57.884 30.489 1.00 5.98 C +ATOM 78 CG2 VAL B 10 18.601 57.306 30.564 1.00 4.71 C +ATOM 79 N ASP B 11 15.753 60.014 27.962 1.00 7.38 N +ATOM 80 CA ASP B 11 14.851 61.145 27.745 1.00 9.12 C +ATOM 81 C ASP B 11 14.202 61.578 29.062 1.00 10.04 C +ATOM 82 O ASP B 11 14.163 60.815 30.037 1.00 7.52 O +ATOM 83 CB ASP B 11 13.675 60.746 26.847 1.00 9.86 C +ATOM 84 CG ASP B 11 14.003 60.767 25.372 1.00 11.39 C +ATOM 85 OD1 ASP B 11 15.184 60.827 24.984 1.00 10.14 O +ATOM 86 OD2 ASP B 11 13.033 60.666 24.592 1.00 11.30 O +ATOM 87 N THR B 12 13.690 62.801 29.063 1.00 10.83 N +ATOM 88 CA THR B 12 12.891 63.273 30.183 1.00 11.77 C +ATOM 89 C THR B 12 11.525 63.494 29.494 1.00 11.82 C +ATOM 90 O THR B 12 11.370 64.400 28.680 1.00 12.60 O +ATOM 91 CB THR B 12 13.415 64.585 30.822 1.00 13.43 C +ATOM 92 OG1 THR B 12 14.792 64.432 31.217 1.00 14.42 O +ATOM 93 CG2 THR B 12 12.556 64.935 32.050 1.00 13.50 C +ATOM 94 N VAL B 13 10.553 62.657 29.806 1.00 12.52 N +ATOM 95 CA VAL B 13 9.232 62.719 29.186 1.00 13.84 C +ATOM 96 C VAL B 13 8.224 63.180 30.230 1.00 15.93 C +ATOM 97 O VAL B 13 8.418 62.973 31.420 1.00 17.81 O +ATOM 98 CB VAL B 13 8.819 61.307 28.646 1.00 13.93 C +ATOM 99 CG1 VAL B 13 9.902 60.730 27.708 1.00 12.72 C +ATOM 100 CG2 VAL B 13 8.640 60.338 29.790 1.00 14.90 C +ATOM 101 N ASN B 14 7.132 63.781 29.801 1.00 19.18 N +ATOM 102 CA ASN B 14 6.120 64.263 30.748 1.00 21.25 C +ATOM 103 C ASN B 14 4.998 63.258 30.782 1.00 21.31 C +ATOM 104 O ASN B 14 4.738 62.593 29.775 1.00 23.55 O +ATOM 105 CB ASN B 14 5.569 65.620 30.308 1.00 24.97 C +ATOM 106 CG ASN B 14 6.656 66.573 29.886 1.00 27.89 C +ATOM 107 OD1 ASN B 14 7.400 67.071 30.718 1.00 29.20 O +ATOM 108 ND2 ASN B 14 6.792 66.790 28.572 1.00 30.63 N +ATOM 109 N ALA B 15 4.333 63.112 31.918 1.00 19.73 N +ATOM 110 CA ALA B 15 3.253 62.144 31.978 1.00 18.99 C +ATOM 111 C ALA B 15 2.405 62.383 33.195 1.00 18.33 C +ATOM 112 O ALA B 15 2.836 63.057 34.114 1.00 19.26 O +ATOM 113 CB ALA B 15 3.826 60.731 32.034 1.00 20.09 C +ATOM 114 N LYS B 16 1.235 61.759 33.221 1.00 16.27 N +ATOM 115 CA LYS B 16 0.318 61.857 34.345 1.00 17.51 C +ATOM 116 C LYS B 16 0.318 60.508 35.082 1.00 17.55 C +ATOM 117 O LYS B 16 0.705 59.483 34.500 1.00 16.03 O +ATOM 118 CB LYS B 16 -1.094 62.168 33.842 1.00 18.09 C +ATOM 119 N PRO B 17 -0.112 60.485 36.362 1.00 17.45 N +ATOM 120 CA PRO B 17 -0.150 59.231 37.120 1.00 17.60 C +ATOM 121 C PRO B 17 -1.090 58.233 36.429 1.00 18.99 C +ATOM 122 O PRO B 17 -2.230 58.577 36.078 1.00 19.33 O +ATOM 123 CB PRO B 17 -0.703 59.664 38.488 1.00 17.96 C +ATOM 124 CG PRO B 17 -0.229 61.078 38.621 1.00 16.51 C +ATOM 125 CD PRO B 17 -0.489 61.627 37.225 1.00 18.19 C +ATOM 126 N GLY B 18 -0.592 57.024 36.186 1.00 16.82 N +ATOM 127 CA GLY B 18 -1.403 56.016 35.529 1.00 17.57 C +ATOM 128 C GLY B 18 -1.059 55.826 34.063 1.00 16.00 C +ATOM 129 O GLY B 18 -1.584 54.929 33.408 1.00 19.21 O +ATOM 130 N ASP B 19 -0.211 56.675 33.519 1.00 15.22 N +ATOM 131 CA ASP B 19 0.144 56.514 32.121 1.00 15.03 C +ATOM 132 C ASP B 19 1.279 55.532 31.936 1.00 15.03 C +ATOM 133 O ASP B 19 2.129 55.383 32.816 1.00 13.29 O +ATOM 134 CB ASP B 19 0.601 57.818 31.499 1.00 16.34 C +ATOM 135 CG ASP B 19 -0.501 58.847 31.387 1.00 17.64 C +ATOM 136 OD1 ASP B 19 -1.687 58.538 31.642 1.00 17.55 O +ATOM 137 OD2 ASP B 19 -0.135 59.987 31.038 1.00 20.66 O +ATOM 138 N THR B 20 1.258 54.831 30.803 1.00 14.19 N +ATOM 139 CA THR B 20 2.333 53.899 30.444 1.00 13.78 C +ATOM 140 C THR B 20 3.155 54.721 29.461 1.00 13.65 C +ATOM 141 O THR B 20 2.694 55.068 28.374 1.00 17.05 O +ATOM 142 CB THR B 20 1.802 52.610 29.759 1.00 13.56 C +ATOM 143 OG1 THR B 20 1.024 51.872 30.701 1.00 13.60 O +ATOM 144 CG2 THR B 20 2.978 51.731 29.266 1.00 13.82 C +ATOM 145 N VAL B 21 4.367 55.058 29.859 1.00 12.94 N +ATOM 146 CA VAL B 21 5.222 55.898 29.054 1.00 13.28 C +ATOM 147 C VAL B 21 6.468 55.205 28.501 1.00 13.56 C +ATOM 148 O VAL B 21 6.988 54.256 29.089 1.00 12.40 O +ATOM 149 CB VAL B 21 5.636 57.136 29.885 1.00 15.97 C +ATOM 150 CG1 VAL B 21 6.678 56.756 30.943 1.00 16.43 C +ATOM 151 CG2 VAL B 21 6.106 58.267 28.978 1.00 19.76 C +ATOM 152 N ARG B 22 6.927 55.691 27.350 1.00 12.06 N +ATOM 153 CA ARG B 22 8.116 55.168 26.709 1.00 11.04 C +ATOM 154 C ARG B 22 9.218 56.187 26.897 1.00 9.87 C +ATOM 155 O ARG B 22 9.052 57.375 26.594 1.00 8.48 O +ATOM 156 CB ARG B 22 7.843 54.881 25.247 1.00 11.85 C +ATOM 157 CG ARG B 22 6.785 53.827 25.092 1.00 15.84 C +ATOM 158 CD ARG B 22 6.327 53.747 23.654 1.00 20.61 C +ATOM 159 NE ARG B 22 7.446 53.391 22.795 1.00 22.90 N +ATOM 160 CZ ARG B 22 7.802 52.136 22.527 1.00 24.42 C +ATOM 161 NH1 ARG B 22 7.106 51.117 23.060 1.00 22.43 N +ATOM 162 NH2 ARG B 22 8.846 51.914 21.716 1.00 24.56 N +ATOM 163 N ILE B 23 10.340 55.711 27.432 1.00 9.06 N +ATOM 164 CA ILE B 23 11.477 56.556 27.737 1.00 8.51 C +ATOM 165 C ILE B 23 12.715 56.061 27.004 1.00 7.84 C +ATOM 166 O ILE B 23 13.434 55.151 27.452 1.00 7.34 O +ATOM 167 CB ILE B 23 11.760 56.586 29.262 1.00 8.86 C +ATOM 168 CG1 ILE B 23 10.423 56.520 30.032 1.00 11.23 C +ATOM 169 CG2 ILE B 23 12.608 57.819 29.611 1.00 7.49 C +ATOM 170 CD1 ILE B 23 10.543 56.388 31.548 1.00 11.12 C +ATOM 171 N PRO B 24 12.979 56.658 25.848 1.00 8.52 N +ATOM 172 CA PRO B 24 14.140 56.263 25.073 1.00 8.29 C +ATOM 173 C PRO B 24 15.465 56.556 25.792 1.00 7.71 C +ATOM 174 O PRO B 24 15.530 57.472 26.606 1.00 7.32 O +ATOM 175 CB PRO B 24 14.006 57.135 23.818 1.00 9.11 C +ATOM 176 CG PRO B 24 12.502 57.255 23.661 1.00 9.76 C +ATOM 177 CD PRO B 24 12.120 57.582 25.091 1.00 8.76 C +ATOM 178 N VAL B 25 16.484 55.746 25.484 1.00 6.41 N +ATOM 179 CA VAL B 25 17.862 55.916 25.957 1.00 4.87 C +ATOM 180 C VAL B 25 18.594 56.127 24.621 1.00 7.50 C +ATOM 181 O VAL B 25 18.643 55.206 23.773 1.00 5.39 O +ATOM 182 CB VAL B 25 18.409 54.671 26.654 1.00 4.85 C +ATOM 183 CG1 VAL B 25 19.836 54.935 27.154 1.00 5.96 C +ATOM 184 CG2 VAL B 25 17.487 54.269 27.792 1.00 6.54 C +ATOM 185 N ARG B 26 19.129 57.324 24.412 1.00 7.28 N +ATOM 186 CA ARG B 26 19.784 57.669 23.138 1.00 7.48 C +ATOM 187 C ARG B 26 21.296 57.793 23.177 1.00 6.49 C +ATOM 188 O ARG B 26 21.875 58.125 24.208 1.00 7.49 O +ATOM 189 CB ARG B 26 19.167 58.980 22.590 1.00 8.45 C +ATOM 190 CG ARG B 26 17.652 58.939 22.577 1.00 9.23 C +ATOM 191 CD ARG B 26 17.060 60.204 22.045 1.00 8.59 C +ATOM 192 NE ARG B 26 15.622 60.289 22.286 1.00 8.37 N +ATOM 193 CZ ARG B 26 14.679 60.026 21.382 1.00 10.57 C +ATOM 194 NH1 ARG B 26 15.006 59.652 20.156 1.00 8.88 N +ATOM 195 NH2 ARG B 26 13.396 60.169 21.687 1.00 9.90 N +ATOM 196 N PHE B 27 21.918 57.471 22.042 1.00 5.86 N +ATOM 197 CA PHE B 27 23.354 57.564 21.878 1.00 5.39 C +ATOM 198 C PHE B 27 23.638 58.674 20.835 1.00 6.85 C +ATOM 199 O PHE B 27 22.916 58.778 19.824 1.00 7.16 O +ATOM 200 CB PHE B 27 23.920 56.258 21.322 1.00 6.34 C +ATOM 201 CG PHE B 27 23.988 55.124 22.313 1.00 6.89 C +ATOM 202 CD1 PHE B 27 23.619 55.291 23.647 1.00 6.61 C +ATOM 203 CD2 PHE B 27 24.493 53.873 21.896 1.00 8.07 C +ATOM 204 CE1 PHE B 27 23.759 54.226 24.575 1.00 6.94 C +ATOM 205 CE2 PHE B 27 24.649 52.789 22.793 1.00 7.19 C +ATOM 206 CZ PHE B 27 24.285 52.955 24.143 1.00 7.41 C +ATOM 207 N SER B 28 24.632 59.509 21.112 1.00 6.21 N +ATOM 208 CA SER B 28 25.088 60.580 20.218 1.00 7.20 C +ATOM 209 C SER B 28 26.631 60.460 20.153 1.00 8.54 C +ATOM 210 O SER B 28 27.272 60.011 21.107 1.00 10.09 O +ATOM 211 CB SER B 28 24.693 61.977 20.748 1.00 6.03 C +ATOM 212 OG SER B 28 23.291 62.098 20.903 1.00 7.71 O +ATOM 213 N GLY B 29 27.215 60.818 19.009 1.00 9.12 N +ATOM 214 CA GLY B 29 28.654 60.727 18.842 1.00 9.52 C +ATOM 215 C GLY B 29 29.202 59.316 18.665 1.00 10.52 C +ATOM 216 O GLY B 29 30.349 59.068 19.048 1.00 12.57 O +ATOM 217 N ILE B 30 28.391 58.391 18.123 1.00 8.47 N +ATOM 218 CA ILE B 30 28.797 56.999 17.894 1.00 8.78 C +ATOM 219 C ILE B 30 29.878 56.999 16.814 1.00 11.97 C +ATOM 220 O ILE B 30 29.672 57.558 15.719 1.00 11.40 O +ATOM 221 CB ILE B 30 27.589 56.120 17.450 1.00 7.56 C +ATOM 222 CG1 ILE B 30 26.640 55.871 18.620 1.00 7.64 C +ATOM 223 CG2 ILE B 30 28.041 54.803 16.877 1.00 7.07 C +ATOM 224 CD1 ILE B 30 27.286 55.011 19.717 1.00 9.09 C +ATOM 225 N PRO B 31 31.045 56.396 17.107 1.00 13.38 N +ATOM 226 CA PRO B 31 32.125 56.363 16.112 1.00 15.92 C +ATOM 227 C PRO B 31 31.750 55.529 14.905 1.00 17.59 C +ATOM 228 O PRO B 31 31.138 54.475 15.035 1.00 18.63 O +ATOM 229 CB PRO B 31 33.294 55.748 16.895 1.00 14.47 C +ATOM 230 CG PRO B 31 32.595 54.811 17.873 1.00 14.24 C +ATOM 231 CD PRO B 31 31.412 55.637 18.322 1.00 13.37 C +ATOM 232 N SER B 32 32.079 56.017 13.711 1.00 21.60 N +ATOM 233 CA SER B 32 31.779 55.267 12.477 1.00 22.31 C +ATOM 234 C SER B 32 32.335 53.805 12.556 1.00 21.34 C +ATOM 235 O SER B 32 31.764 52.871 11.967 1.00 22.66 O +ATOM 236 CB SER B 32 32.354 56.019 11.264 1.00 24.01 C +ATOM 237 N LYS B 33 33.452 53.649 13.274 1.00 18.62 N +ATOM 238 CA LYS B 33 34.088 52.353 13.520 1.00 17.87 C +ATOM 239 C LYS B 33 33.061 51.389 14.139 1.00 16.60 C +ATOM 240 O LYS B 33 33.151 50.179 13.942 1.00 17.48 O +ATOM 241 CB LYS B 33 35.284 52.524 14.498 1.00 18.64 C +ATOM 242 N GLY B 34 32.111 51.942 14.898 1.00 14.63 N +ATOM 243 CA GLY B 34 31.082 51.148 15.548 1.00 14.30 C +ATOM 244 C GLY B 34 31.411 50.761 16.994 1.00 13.45 C +ATOM 245 O GLY B 34 32.578 50.723 17.386 1.00 13.06 O +ATOM 246 N ILE B 35 30.367 50.561 17.799 1.00 11.43 N +ATOM 247 CA ILE B 35 30.493 50.119 19.192 1.00 9.31 C +ATOM 248 C ILE B 35 30.156 48.608 19.197 1.00 8.33 C +ATOM 249 O ILE B 35 29.073 48.203 18.776 1.00 9.76 O +ATOM 250 CB ILE B 35 29.503 50.874 20.111 1.00 8.78 C +ATOM 251 CG1 ILE B 35 29.881 52.355 20.147 1.00 9.61 C +ATOM 252 CG2 ILE B 35 29.501 50.255 21.531 1.00 6.27 C +ATOM 253 CD1 ILE B 35 31.267 52.600 20.743 1.00 10.81 C +ATOM 254 N ALA B 36 31.112 47.782 19.600 1.00 7.93 N +ATOM 255 CA ALA B 36 30.926 46.342 19.641 1.00 7.44 C +ATOM 256 C ALA B 36 30.249 45.887 20.939 1.00 8.04 C +ATOM 257 O ALA B 36 29.597 44.858 20.976 1.00 7.77 O +ATOM 258 CB ALA B 36 32.303 45.637 19.497 1.00 9.96 C +ATOM 259 N ASN B 37 30.416 46.654 22.009 1.00 7.35 N +ATOM 260 CA ASN B 37 29.815 46.245 23.269 1.00 7.51 C +ATOM 261 C ASN B 37 29.778 47.417 24.217 1.00 6.69 C +ATOM 262 O ASN B 37 30.587 48.344 24.090 1.00 6.55 O +ATOM 263 CB ASN B 37 30.625 45.069 23.886 1.00 9.21 C +ATOM 264 CG ASN B 37 32.033 45.478 24.317 1.00 11.28 C +ATOM 265 OD1 ASN B 37 32.216 46.037 25.411 1.00 12.95 O +ATOM 266 ND2 ASN B 37 33.035 45.208 23.471 1.00 9.84 N +ATOM 267 N CYS B 38 28.786 47.394 25.107 1.00 6.97 N +ATOM 268 CA CYS B 38 28.629 48.424 26.141 1.00 6.35 C +ATOM 269 C CYS B 38 27.727 47.879 27.236 1.00 5.95 C +ATOM 270 O CYS B 38 26.918 46.997 27.005 1.00 6.22 O +ATOM 271 CB CYS B 38 28.077 49.741 25.565 1.00 6.44 C +ATOM 272 SG CYS B 38 26.423 49.734 24.909 1.00 7.49 S +ATOM 273 N ASP B 39 27.989 48.284 28.466 1.00 5.38 N +ATOM 274 CA ASP B 39 27.132 47.855 29.584 1.00 5.71 C +ATOM 275 C ASP B 39 27.164 48.952 30.617 1.00 5.61 C +ATOM 276 O ASP B 39 28.205 49.559 30.839 1.00 5.33 O +ATOM 277 CB ASP B 39 27.551 46.506 30.177 1.00 6.24 C +ATOM 278 CG ASP B 39 28.868 46.557 30.897 1.00 8.34 C +ATOM 279 OD1 ASP B 39 29.917 46.485 30.239 1.00 9.04 O +ATOM 280 OD2 ASP B 39 28.844 46.639 32.144 1.00 8.93 O +ATOM 281 N PHE B 40 26.000 49.288 31.144 1.00 5.89 N +ATOM 282 CA PHE B 40 25.922 50.354 32.128 1.00 5.99 C +ATOM 283 C PHE B 40 24.681 50.232 32.969 1.00 5.27 C +ATOM 284 O PHE B 40 23.751 49.511 32.622 1.00 6.31 O +ATOM 285 CB PHE B 40 25.995 51.738 31.471 1.00 6.17 C +ATOM 286 CG PHE B 40 25.049 51.914 30.326 1.00 6.06 C +ATOM 287 CD1 PHE B 40 23.768 52.390 30.539 1.00 5.76 C +ATOM 288 CD2 PHE B 40 25.466 51.629 29.017 1.00 6.14 C +ATOM 289 CE1 PHE B 40 22.894 52.593 29.468 1.00 6.80 C +ATOM 290 CE2 PHE B 40 24.600 51.828 27.942 1.00 5.60 C +ATOM 291 CZ PHE B 40 23.327 52.304 28.161 1.00 6.42 C +ATOM 292 N VAL B 41 24.639 51.015 34.045 1.00 6.03 N +ATOM 293 CA VAL B 41 23.544 50.972 35.018 1.00 5.00 C +ATOM 294 C VAL B 41 22.995 52.375 35.333 1.00 4.24 C +ATOM 295 O VAL B 41 23.757 53.333 35.478 1.00 6.34 O +ATOM 296 CB VAL B 41 24.088 50.383 36.371 1.00 6.69 C +ATOM 297 CG1 VAL B 41 22.970 50.243 37.382 1.00 7.22 C +ATOM 298 CG2 VAL B 41 24.860 49.045 36.150 1.00 5.85 C +ATOM 299 N TYR B 42 21.674 52.476 35.383 1.00 7.23 N +ATOM 300 CA TYR B 42 20.937 53.690 35.772 1.00 7.29 C +ATOM 301 C TYR B 42 20.046 53.285 36.977 1.00 6.76 C +ATOM 302 O TYR B 42 19.640 52.130 37.112 1.00 7.72 O +ATOM 303 CB TYR B 42 20.028 54.185 34.640 1.00 7.05 C +ATOM 304 CG TYR B 42 20.705 55.129 33.674 1.00 6.88 C +ATOM 305 CD1 TYR B 42 21.532 54.642 32.664 1.00 6.04 C +ATOM 306 CD2 TYR B 42 20.535 56.506 33.778 1.00 5.65 C +ATOM 307 CE1 TYR B 42 22.178 55.499 31.783 1.00 6.20 C +ATOM 308 CE2 TYR B 42 21.178 57.362 32.907 1.00 6.67 C +ATOM 309 CZ TYR B 42 21.990 56.840 31.911 1.00 5.78 C +ATOM 310 OH TYR B 42 22.585 57.650 30.995 1.00 7.64 O +ATOM 311 N SER B 43 19.725 54.226 37.854 1.00 9.05 N +ATOM 312 CA SER B 43 18.851 53.920 38.986 1.00 9.84 C +ATOM 313 C SER B 43 17.515 54.589 38.690 1.00 10.07 C +ATOM 314 O SER B 43 17.443 55.437 37.800 1.00 9.25 O +ATOM 315 CB SER B 43 19.429 54.487 40.282 1.00 12.45 C +ATOM 316 OG SER B 43 19.738 55.864 40.107 1.00 13.50 O +ATOM 317 N TYR B 44 16.464 54.200 39.399 1.00 8.79 N +ATOM 318 CA TYR B 44 15.149 54.795 39.178 1.00 9.82 C +ATOM 319 C TYR B 44 14.363 54.653 40.443 1.00 10.70 C +ATOM 320 O TYR B 44 14.810 53.990 41.364 1.00 14.19 O +ATOM 321 CB TYR B 44 14.394 54.101 38.037 1.00 7.21 C +ATOM 322 CG TYR B 44 13.913 52.694 38.326 1.00 6.18 C +ATOM 323 CD1 TYR B 44 14.818 51.642 38.522 1.00 4.86 C +ATOM 324 CD2 TYR B 44 12.549 52.411 38.373 1.00 5.03 C +ATOM 325 CE1 TYR B 44 14.379 50.371 38.759 1.00 4.55 C +ATOM 326 CE2 TYR B 44 12.097 51.146 38.601 1.00 5.75 C +ATOM 327 CZ TYR B 44 13.020 50.123 38.792 1.00 4.72 C +ATOM 328 OH TYR B 44 12.552 48.872 39.013 1.00 9.31 O +ATOM 329 N ASP B 45 13.160 55.202 40.460 1.00 11.60 N +ATOM 330 CA ASP B 45 12.344 55.113 41.641 1.00 12.05 C +ATOM 331 C ASP B 45 11.198 54.176 41.329 1.00 13.71 C +ATOM 332 O ASP B 45 10.221 54.571 40.692 1.00 14.44 O +ATOM 333 CB ASP B 45 11.858 56.518 42.042 1.00 13.32 C +ATOM 334 CG ASP B 45 11.021 56.530 43.315 1.00 13.83 C +ATOM 335 OD1 ASP B 45 10.810 55.477 43.939 1.00 16.19 O +ATOM 336 OD2 ASP B 45 10.551 57.619 43.677 1.00 15.94 O +ATOM 337 N PRO B 46 11.285 52.925 41.806 1.00 13.27 N +ATOM 338 CA PRO B 46 10.238 51.927 41.567 1.00 14.31 C +ATOM 339 C PRO B 46 8.964 52.182 42.354 1.00 15.14 C +ATOM 340 O PRO B 46 7.987 51.447 42.219 1.00 16.42 O +ATOM 341 CB PRO B 46 10.907 50.594 41.926 1.00 14.05 C +ATOM 342 CG PRO B 46 11.973 50.970 42.884 1.00 15.09 C +ATOM 343 CD PRO B 46 12.458 52.342 42.485 1.00 14.31 C +ATOM 344 N ASN B 47 8.992 53.210 43.196 1.00 16.66 N +ATOM 345 CA ASN B 47 7.818 53.611 43.968 1.00 18.14 C +ATOM 346 C ASN B 47 6.993 54.582 43.115 1.00 18.83 C +ATOM 347 O ASN B 47 5.849 54.881 43.429 1.00 20.86 O +ATOM 348 CB ASN B 47 8.230 54.263 45.306 1.00 18.88 C +ATOM 349 N VAL B 48 7.578 55.088 42.033 1.00 18.63 N +ATOM 350 CA VAL B 48 6.861 55.978 41.126 1.00 17.08 C +ATOM 351 C VAL B 48 6.706 55.304 39.759 1.00 16.87 C +ATOM 352 O VAL B 48 5.632 55.327 39.178 1.00 18.36 O +ATOM 353 CB VAL B 48 7.574 57.325 40.976 1.00 18.20 C +ATOM 354 CG1 VAL B 48 6.892 58.174 39.872 1.00 17.24 C +ATOM 355 CG2 VAL B 48 7.570 58.067 42.322 1.00 18.75 C +ATOM 356 N LEU B 49 7.762 54.652 39.283 1.00 14.97 N +ATOM 357 CA LEU B 49 7.734 53.980 37.983 1.00 15.16 C +ATOM 358 C LEU B 49 7.802 52.454 38.024 1.00 14.70 C +ATOM 359 O LEU B 49 8.751 51.894 38.567 1.00 15.12 O +ATOM 360 CB LEU B 49 8.876 54.508 37.091 1.00 13.37 C +ATOM 361 CG LEU B 49 8.966 56.027 36.856 1.00 13.46 C +ATOM 362 CD1 LEU B 49 10.214 56.393 36.029 1.00 14.19 C +ATOM 363 CD2 LEU B 49 7.689 56.564 36.203 1.00 13.86 C +ATOM 364 N GLU B 50 6.805 51.775 37.456 1.00 14.12 N +ATOM 365 CA GLU B 50 6.854 50.319 37.374 1.00 16.19 C +ATOM 366 C GLU B 50 7.427 49.975 36.004 1.00 15.97 C +ATOM 367 O GLU B 50 6.770 50.257 35.005 1.00 13.88 O +ATOM 368 CB GLU B 50 5.468 49.698 37.470 1.00 19.29 C +ATOM 369 CG GLU B 50 4.864 49.814 38.856 1.00 24.66 C +ATOM 370 CD GLU B 50 3.377 49.427 38.926 1.00 26.51 C +ATOM 371 OE1 GLU B 50 2.654 49.612 37.927 1.00 27.18 O +ATOM 372 OE2 GLU B 50 2.938 48.952 40.005 1.00 29.19 O +ATOM 373 N ILE B 51 8.657 49.452 35.945 1.00 14.06 N +ATOM 374 CA ILE B 51 9.248 49.079 34.653 1.00 12.58 C +ATOM 375 C ILE B 51 8.509 47.879 34.098 1.00 13.27 C +ATOM 376 O ILE B 51 8.423 46.828 34.731 1.00 12.37 O +ATOM 377 CB ILE B 51 10.755 48.762 34.709 1.00 10.62 C +ATOM 378 CG1 ILE B 51 11.552 49.915 35.347 1.00 11.03 C +ATOM 379 CG2 ILE B 51 11.277 48.457 33.284 1.00 8.64 C +ATOM 380 CD1 ILE B 51 11.338 51.272 34.801 1.00 8.84 C +ATOM 381 N ILE B 52 7.927 48.075 32.923 1.00 12.57 N +ATOM 382 CA ILE B 52 7.150 47.052 32.259 1.00 12.81 C +ATOM 383 C ILE B 52 8.006 46.199 31.316 1.00 12.74 C +ATOM 384 O ILE B 52 7.916 44.957 31.339 1.00 12.04 O +ATOM 385 CB ILE B 52 5.989 47.717 31.472 1.00 15.52 C +ATOM 386 CG1 ILE B 52 4.984 48.338 32.459 1.00 17.00 C +ATOM 387 CG2 ILE B 52 5.304 46.703 30.583 1.00 15.93 C +ATOM 388 CD1 ILE B 52 3.848 49.017 31.790 1.00 20.29 C +ATOM 389 N GLU B 53 8.844 46.854 30.504 1.00 9.95 N +ATOM 390 CA GLU B 53 9.723 46.142 29.546 1.00 10.90 C +ATOM 391 C GLU B 53 10.779 47.123 29.076 1.00 10.04 C +ATOM 392 O GLU B 53 10.603 48.339 29.263 1.00 9.63 O +ATOM 393 CB GLU B 53 8.891 45.639 28.311 1.00 11.34 C +ATOM 394 N ILE B 54 11.916 46.613 28.607 1.00 6.40 N +ATOM 395 CA ILE B 54 12.921 47.495 28.048 1.00 6.92 C +ATOM 396 C ILE B 54 13.151 46.909 26.667 1.00 7.94 C +ATOM 397 O ILE B 54 13.588 45.772 26.533 1.00 8.02 O +ATOM 398 CB ILE B 54 14.222 47.586 28.851 1.00 8.52 C +ATOM 399 CG1 ILE B 54 13.918 48.093 30.283 1.00 6.65 C +ATOM 400 CG2 ILE B 54 15.210 48.566 28.135 1.00 6.50 C +ATOM 401 CD1 ILE B 54 15.162 48.393 31.046 1.00 7.91 C +ATOM 402 N GLU B 55 12.740 47.668 25.660 1.00 7.17 N +ATOM 403 CA GLU B 55 12.852 47.255 24.264 1.00 8.79 C +ATOM 404 C GLU B 55 14.178 47.610 23.618 1.00 7.88 C +ATOM 405 O GLU B 55 14.730 48.693 23.824 1.00 5.97 O +ATOM 406 CB GLU B 55 11.775 47.970 23.453 1.00 12.60 C +ATOM 407 CG GLU B 55 10.388 47.874 24.000 1.00 17.79 C +ATOM 408 CD GLU B 55 9.383 48.493 23.055 1.00 22.30 C +ATOM 409 OE1 GLU B 55 9.821 49.207 22.106 1.00 26.12 O +ATOM 410 OE2 GLU B 55 8.165 48.245 23.254 1.00 24.88 O +ATOM 411 N PRO B 56 14.685 46.718 22.774 1.00 7.55 N +ATOM 412 CA PRO B 56 15.943 46.973 22.075 1.00 7.92 C +ATOM 413 C PRO B 56 15.613 48.168 21.165 1.00 7.87 C +ATOM 414 O PRO B 56 14.521 48.216 20.571 1.00 7.89 O +ATOM 415 CB PRO B 56 16.122 45.708 21.223 1.00 9.08 C +ATOM 416 CG PRO B 56 15.392 44.676 21.951 1.00 10.42 C +ATOM 417 CD PRO B 56 14.154 45.387 22.448 1.00 9.20 C +ATOM 418 N GLY B 57 16.549 49.103 21.041 1.00 6.28 N +ATOM 419 CA GLY B 57 16.306 50.280 20.223 1.00 7.44 C +ATOM 420 C GLY B 57 16.576 50.016 18.769 1.00 7.03 C +ATOM 421 O GLY B 57 17.106 48.956 18.425 1.00 6.64 O +ATOM 422 N GLU B 58 16.274 51.008 17.928 1.00 7.32 N +ATOM 423 CA GLU B 58 16.499 50.905 16.489 1.00 8.29 C +ATOM 424 C GLU B 58 17.986 50.632 16.185 1.00 8.26 C +ATOM 425 O GLU B 58 18.322 50.102 15.108 1.00 7.32 O +ATOM 426 CB GLU B 58 16.108 52.218 15.835 1.00 6.51 C +ATOM 427 CG GLU B 58 17.067 53.329 16.222 1.00 10.92 C +ATOM 428 CD GLU B 58 16.554 54.722 15.947 1.00 13.09 C +ATOM 429 OE1 GLU B 58 15.520 54.877 15.237 1.00 15.53 O +ATOM 430 OE2 GLU B 58 17.201 55.672 16.413 1.00 10.89 O +ATOM 431 N LEU B 59 18.881 51.035 17.101 1.00 6.27 N +ATOM 432 CA LEU B 59 20.321 50.815 16.898 1.00 6.52 C +ATOM 433 C LEU B 59 20.754 49.337 16.966 1.00 6.09 C +ATOM 434 O LEU B 59 21.900 49.002 16.566 1.00 6.49 O +ATOM 435 CB LEU B 59 21.155 51.667 17.871 1.00 6.14 C +ATOM 436 CG LEU B 59 20.978 53.193 17.796 1.00 6.91 C +ATOM 437 CD1 LEU B 59 21.885 53.885 18.814 1.00 6.76 C +ATOM 438 CD2 LEU B 59 21.260 53.709 16.394 1.00 9.04 C +ATOM 439 N ILE B 60 19.882 48.490 17.530 1.00 4.34 N +ATOM 440 CA ILE B 60 20.153 47.062 17.680 1.00 5.94 C +ATOM 441 C ILE B 60 19.706 46.423 16.388 1.00 6.82 C +ATOM 442 O ILE B 60 18.531 46.183 16.161 1.00 6.85 O +ATOM 443 CB ILE B 60 19.401 46.428 18.897 1.00 6.70 C +ATOM 444 CG1 ILE B 60 19.752 47.199 20.177 1.00 7.57 C +ATOM 445 CG2 ILE B 60 19.767 44.958 19.071 1.00 6.43 C +ATOM 446 CD1 ILE B 60 21.233 47.465 20.387 1.00 6.13 C +ATOM 447 N VAL B 61 20.703 46.069 15.599 1.00 6.89 N +ATOM 448 CA VAL B 61 20.527 45.540 14.253 1.00 9.10 C +ATOM 449 C VAL B 61 20.501 44.006 14.072 1.00 8.23 C +ATOM 450 O VAL B 61 20.163 43.496 13.007 1.00 6.79 O +ATOM 451 CB VAL B 61 21.607 46.314 13.443 1.00 10.13 C +ATOM 452 CG1 VAL B 61 22.566 45.465 12.722 1.00 11.75 C +ATOM 453 CG2 VAL B 61 20.997 47.467 12.740 1.00 13.39 C +ATOM 454 N ASP B 62 20.913 43.275 15.100 1.00 6.38 N +ATOM 455 CA ASP B 62 20.917 41.821 15.081 1.00 7.92 C +ATOM 456 C ASP B 62 19.514 41.288 14.751 1.00 8.20 C +ATOM 457 O ASP B 62 18.527 41.678 15.372 1.00 8.23 O +ATOM 458 CB ASP B 62 21.347 41.330 16.483 1.00 8.13 C +ATOM 459 CG ASP B 62 21.676 39.862 16.547 1.00 8.25 C +ATOM 460 OD1 ASP B 62 21.127 39.052 15.768 1.00 9.05 O +ATOM 461 OD2 ASP B 62 22.495 39.506 17.414 1.00 7.36 O +ATOM 462 N PRO B 63 19.412 40.374 13.756 1.00 8.83 N +ATOM 463 CA PRO B 63 18.086 39.840 13.433 1.00 8.95 C +ATOM 464 C PRO B 63 17.475 39.051 14.602 1.00 9.84 C +ATOM 465 O PRO B 63 16.289 38.732 14.601 1.00 12.05 O +ATOM 466 CB PRO B 63 18.321 38.985 12.162 1.00 9.18 C +ATOM 467 CG PRO B 63 19.806 38.908 12.006 1.00 11.21 C +ATOM 468 CD PRO B 63 20.364 40.140 12.656 1.00 9.70 C +ATOM 469 N ASN B 64 18.301 38.742 15.605 1.00 11.59 N +ATOM 470 CA ASN B 64 17.884 38.057 16.853 1.00 9.94 C +ATOM 471 C ASN B 64 18.362 39.103 17.882 1.00 8.87 C +ATOM 472 O ASN B 64 19.424 38.954 18.490 1.00 7.77 O +ATOM 473 CB ASN B 64 18.669 36.752 17.042 1.00 10.79 C +ATOM 474 CG ASN B 64 18.357 35.719 15.976 1.00 11.47 C +ATOM 475 OD1 ASN B 64 17.222 35.285 15.853 1.00 13.83 O +ATOM 476 ND2 ASN B 64 19.355 35.322 15.205 1.00 12.27 N +ATOM 477 N PRO B 65 17.607 40.209 18.039 1.00 9.81 N +ATOM 478 CA PRO B 65 17.981 41.276 18.979 1.00 9.88 C +ATOM 479 C PRO B 65 18.405 40.813 20.382 1.00 8.94 C +ATOM 480 O PRO B 65 19.341 41.371 20.953 1.00 10.88 O +ATOM 481 CB PRO B 65 16.702 42.148 19.042 1.00 9.86 C +ATOM 482 CG PRO B 65 15.980 41.856 17.837 1.00 12.98 C +ATOM 483 CD PRO B 65 16.193 40.356 17.661 1.00 10.69 C +ATOM 484 N THR B 66 17.748 39.795 20.916 1.00 9.26 N +ATOM 485 CA THR B 66 18.053 39.303 22.258 1.00 9.55 C +ATOM 486 C THR B 66 19.424 38.643 22.369 1.00 10.13 C +ATOM 487 O THR B 66 19.931 38.448 23.461 1.00 9.86 O +ATOM 488 CB THR B 66 16.954 38.358 22.790 1.00 9.76 C +ATOM 489 OG1 THR B 66 16.884 37.183 21.981 1.00 11.94 O +ATOM 490 CG2 THR B 66 15.593 39.046 22.774 1.00 11.28 C +ATOM 491 N LYS B 67 20.028 38.268 21.244 1.00 7.66 N +ATOM 492 CA LYS B 67 21.346 37.672 21.289 1.00 6.59 C +ATOM 493 C LYS B 67 22.382 38.758 21.442 1.00 6.84 C +ATOM 494 O LYS B 67 23.516 38.482 21.833 1.00 9.61 O +ATOM 495 CB LYS B 67 21.617 36.848 20.026 1.00 7.58 C +ATOM 496 CG LYS B 67 20.627 35.730 19.869 1.00 9.77 C +ATOM 497 CD LYS B 67 21.161 34.698 18.883 1.00 11.60 C +ATOM 498 CE LYS B 67 20.268 33.511 18.854 1.00 15.50 C +ATOM 499 NZ LYS B 67 21.059 32.401 18.276 1.00 23.21 N +ATOM 500 N SER B 68 22.040 39.992 21.068 1.00 6.60 N +ATOM 501 CA SER B 68 23.007 41.081 21.192 1.00 5.36 C +ATOM 502 C SER B 68 22.702 42.042 22.372 1.00 4.74 C +ATOM 503 O SER B 68 23.574 42.783 22.832 1.00 5.75 O +ATOM 504 CB SER B 68 23.027 41.920 19.886 1.00 6.97 C +ATOM 505 OG SER B 68 23.722 41.267 18.822 1.00 6.72 O +ATOM 506 N PHE B 69 21.448 42.067 22.778 1.00 5.90 N +ATOM 507 CA PHE B 69 20.969 43.033 23.761 1.00 5.41 C +ATOM 508 C PHE B 69 20.159 42.379 24.862 1.00 6.12 C +ATOM 509 O PHE B 69 19.297 41.547 24.610 1.00 4.26 O +ATOM 510 CB PHE B 69 20.082 44.058 23.001 1.00 6.30 C +ATOM 511 CG PHE B 69 19.414 45.105 23.873 1.00 7.37 C +ATOM 512 CD1 PHE B 69 18.144 44.868 24.432 1.00 7.68 C +ATOM 513 CD2 PHE B 69 20.030 46.349 24.083 1.00 8.02 C +ATOM 514 CE1 PHE B 69 17.493 45.845 25.187 1.00 9.22 C +ATOM 515 CE2 PHE B 69 19.385 47.337 24.837 1.00 9.29 C +ATOM 516 CZ PHE B 69 18.114 47.081 25.389 1.00 8.38 C +ATOM 517 N ASP B 70 20.408 42.826 26.096 1.00 7.02 N +ATOM 518 CA ASP B 70 19.696 42.300 27.244 1.00 7.15 C +ATOM 519 C ASP B 70 19.679 43.372 28.298 1.00 4.91 C +ATOM 520 O ASP B 70 20.496 44.275 28.260 1.00 5.36 O +ATOM 521 CB ASP B 70 20.441 41.083 27.795 1.00 8.16 C +ATOM 522 CG ASP B 70 19.621 40.299 28.778 1.00 11.47 C +ATOM 523 OD1 ASP B 70 18.378 40.411 28.772 1.00 10.58 O +ATOM 524 OD2 ASP B 70 20.240 39.546 29.570 1.00 15.35 O +ATOM 525 N THR B 71 18.707 43.308 29.193 1.00 6.32 N +ATOM 526 CA THR B 71 18.654 44.253 30.318 1.00 6.63 C +ATOM 527 C THR B 71 18.210 43.453 31.527 1.00 7.65 C +ATOM 528 O THR B 71 17.621 42.367 31.385 1.00 6.52 O +ATOM 529 CB THR B 71 17.622 45.406 30.122 1.00 7.05 C +ATOM 530 OG1 THR B 71 16.296 44.865 29.969 1.00 8.07 O +ATOM 531 CG2 THR B 71 18.014 46.321 28.907 1.00 6.55 C +ATOM 532 N ALA B 72 18.558 43.951 32.709 1.00 7.89 N +ATOM 533 CA ALA B 72 18.140 43.308 33.971 1.00 7.30 C +ATOM 534 C ALA B 72 17.598 44.439 34.872 1.00 5.20 C +ATOM 535 O ALA B 72 18.249 45.458 35.039 1.00 8.14 O +ATOM 536 CB ALA B 72 19.322 42.600 34.638 1.00 7.02 C +ATOM 537 N VAL B 73 16.383 44.284 35.369 1.00 6.55 N +ATOM 538 CA VAL B 73 15.789 45.312 36.230 1.00 7.87 C +ATOM 539 C VAL B 73 15.740 44.738 37.656 1.00 7.58 C +ATOM 540 O VAL B 73 15.325 43.583 37.863 1.00 8.26 O +ATOM 541 CB VAL B 73 14.344 45.723 35.764 1.00 8.56 C +ATOM 542 CG1 VAL B 73 13.791 46.828 36.661 1.00 9.10 C +ATOM 543 CG2 VAL B 73 14.358 46.239 34.291 1.00 7.63 C +ATOM 544 N TYR B 74 16.229 45.532 38.604 1.00 8.21 N +ATOM 545 CA TYR B 74 16.259 45.149 40.024 1.00 8.37 C +ATOM 546 C TYR B 74 15.542 46.247 40.841 1.00 8.57 C +ATOM 547 O TYR B 74 16.167 47.214 41.309 1.00 9.20 O +ATOM 548 CB TYR B 74 17.709 44.986 40.466 1.00 7.52 C +ATOM 549 CG TYR B 74 18.405 43.848 39.753 1.00 6.66 C +ATOM 550 CD1 TYR B 74 17.956 42.523 39.901 1.00 4.94 C +ATOM 551 CD2 TYR B 74 19.472 44.108 38.874 1.00 7.31 C +ATOM 552 CE1 TYR B 74 18.539 41.478 39.182 1.00 6.33 C +ATOM 553 CE2 TYR B 74 20.061 43.070 38.160 1.00 7.46 C +ATOM 554 CZ TYR B 74 19.593 41.765 38.314 1.00 7.58 C +ATOM 555 OH TYR B 74 20.201 40.753 37.579 1.00 9.32 O +ATOM 556 N PRO B 75 14.225 46.084 41.038 1.00 9.59 N +ATOM 557 CA PRO B 75 13.446 47.076 41.781 1.00 11.21 C +ATOM 558 C PRO B 75 13.915 47.305 43.219 1.00 13.34 C +ATOM 559 O PRO B 75 13.927 48.454 43.697 1.00 13.29 O +ATOM 560 CB PRO B 75 12.033 46.498 41.757 1.00 11.59 C +ATOM 561 CG PRO B 75 12.056 45.509 40.595 1.00 11.80 C +ATOM 562 CD PRO B 75 13.402 44.911 40.706 1.00 10.08 C +ATOM 563 N ASP B 76 14.317 46.236 43.898 1.00 13.90 N +ATOM 564 CA ASP B 76 14.749 46.393 45.289 1.00 15.53 C +ATOM 565 C ASP B 76 15.964 47.252 45.395 1.00 14.78 C +ATOM 566 O ASP B 76 16.041 48.140 46.252 1.00 13.76 O +ATOM 567 CB ASP B 76 15.009 45.057 45.941 1.00 19.50 C +ATOM 568 CG ASP B 76 13.775 44.239 46.035 1.00 25.34 C +ATOM 569 OD1 ASP B 76 12.669 44.818 45.888 1.00 28.14 O +ATOM 570 OD2 ASP B 76 13.901 43.012 46.229 1.00 29.72 O +ATOM 571 N ARG B 77 16.923 46.984 44.524 1.00 12.11 N +ATOM 572 CA ARG B 77 18.132 47.759 44.522 1.00 12.24 C +ATOM 573 C ARG B 77 17.924 49.040 43.704 1.00 11.44 C +ATOM 574 O ARG B 77 18.775 49.924 43.718 1.00 11.68 O +ATOM 575 CB ARG B 77 19.328 46.920 44.041 1.00 12.95 C +ATOM 576 N LYS B 78 16.768 49.152 43.045 1.00 11.24 N +ATOM 577 CA LYS B 78 16.411 50.345 42.260 1.00 12.20 C +ATOM 578 C LYS B 78 17.385 50.618 41.128 1.00 11.79 C +ATOM 579 O LYS B 78 17.813 51.766 40.911 1.00 10.64 O +ATOM 580 CB LYS B 78 16.334 51.586 43.160 1.00 14.35 C +ATOM 581 CG LYS B 78 15.454 51.384 44.378 1.00 16.87 C +ATOM 582 CD LYS B 78 15.456 52.636 45.246 1.00 19.75 C +ATOM 583 CE LYS B 78 14.582 52.444 46.475 1.00 22.06 C +ATOM 584 NZ LYS B 78 14.418 53.742 47.201 1.00 25.63 N +ATOM 585 N MET B 79 17.720 49.568 40.388 1.00 12.93 N +ATOM 586 CA MET B 79 18.658 49.719 39.278 1.00 13.25 C +ATOM 587 C MET B 79 18.196 49.003 38.039 1.00 8.63 C +ATOM 588 O MET B 79 17.395 48.056 38.099 1.00 7.18 O +ATOM 589 CB MET B 79 20.011 49.144 39.639 1.00 16.86 C +ATOM 590 CG MET B 79 20.888 50.054 40.481 1.00 22.33 C +ATOM 591 SD MET B 79 22.136 49.025 41.273 1.00 30.38 S +ATOM 592 CE MET B 79 21.704 47.412 40.719 1.00 23.62 C +ATOM 593 N ILE B 80 18.711 49.498 36.921 1.00 7.96 N +ATOM 594 CA ILE B 80 18.426 48.933 35.618 1.00 7.77 C +ATOM 595 C ILE B 80 19.787 48.743 34.979 1.00 7.00 C +ATOM 596 O ILE B 80 20.579 49.696 34.919 1.00 7.53 O +ATOM 597 CB ILE B 80 17.618 49.888 34.751 1.00 9.45 C +ATOM 598 CG1 ILE B 80 16.268 50.169 35.401 1.00 9.66 C +ATOM 599 CG2 ILE B 80 17.435 49.240 33.349 1.00 10.60 C +ATOM 600 CD1 ILE B 80 15.488 51.224 34.707 1.00 11.41 C +ATOM 601 N VAL B 81 20.057 47.519 34.529 1.00 5.75 N +ATOM 602 CA VAL B 81 21.323 47.185 33.906 1.00 5.79 C +ATOM 603 C VAL B 81 21.076 46.948 32.418 1.00 4.97 C +ATOM 604 O VAL B 81 20.202 46.166 32.077 1.00 7.34 O +ATOM 605 CB VAL B 81 21.950 45.894 34.526 1.00 5.37 C +ATOM 606 CG1 VAL B 81 23.385 45.714 33.997 1.00 4.71 C +ATOM 607 CG2 VAL B 81 21.945 45.987 36.075 1.00 4.19 C +ATOM 608 N PHE B 82 21.852 47.633 31.577 1.00 6.13 N +ATOM 609 CA PHE B 82 21.796 47.548 30.096 1.00 5.07 C +ATOM 610 C PHE B 82 23.049 46.776 29.637 1.00 5.20 C +ATOM 611 O PHE B 82 24.168 47.115 30.039 1.00 4.54 O +ATOM 612 CB PHE B 82 21.841 48.963 29.477 1.00 7.43 C +ATOM 613 CG PHE B 82 20.659 49.824 29.822 1.00 7.92 C +ATOM 614 CD1 PHE B 82 20.651 50.580 30.987 1.00 7.77 C +ATOM 615 CD2 PHE B 82 19.536 49.860 28.986 1.00 7.56 C +ATOM 616 CE1 PHE B 82 19.545 51.359 31.326 1.00 8.65 C +ATOM 617 CE2 PHE B 82 18.416 50.633 29.298 1.00 7.90 C +ATOM 618 CZ PHE B 82 18.418 51.394 30.490 1.00 9.28 C +ATOM 619 N LEU B 83 22.887 45.752 28.791 1.00 5.46 N +ATOM 620 CA LEU B 83 24.031 44.941 28.316 1.00 5.57 C +ATOM 621 C LEU B 83 23.952 44.752 26.810 1.00 5.31 C +ATOM 622 O LEU B 83 22.949 44.266 26.316 1.00 6.23 O +ATOM 623 CB LEU B 83 24.065 43.549 28.978 1.00 6.77 C +ATOM 624 CG LEU B 83 24.023 43.622 30.536 1.00 8.09 C +ATOM 625 CD1 LEU B 83 22.768 42.979 31.024 1.00 9.49 C +ATOM 626 CD2 LEU B 83 25.228 42.990 31.168 1.00 9.50 C +ATOM 627 N PHE B 84 24.981 45.202 26.104 1.00 6.30 N +ATOM 628 CA PHE B 84 25.026 45.043 24.659 1.00 5.20 C +ATOM 629 C PHE B 84 26.366 44.431 24.271 1.00 4.78 C +ATOM 630 O PHE B 84 27.407 44.811 24.787 1.00 5.08 O +ATOM 631 CB PHE B 84 24.811 46.397 23.951 1.00 6.59 C +ATOM 632 CG PHE B 84 25.105 46.360 22.459 1.00 5.85 C +ATOM 633 CD1 PHE B 84 24.212 45.744 21.575 1.00 6.68 C +ATOM 634 CD2 PHE B 84 26.297 46.888 21.958 1.00 6.87 C +ATOM 635 CE1 PHE B 84 24.502 45.652 20.208 1.00 3.93 C +ATOM 636 CE2 PHE B 84 26.592 46.793 20.588 1.00 7.78 C +ATOM 637 CZ PHE B 84 25.680 46.169 19.726 1.00 4.93 C +ATOM 638 N ALA B 85 26.341 43.446 23.385 1.00 5.00 N +ATOM 639 CA ALA B 85 27.573 42.844 22.890 1.00 6.42 C +ATOM 640 C ALA B 85 27.134 42.223 21.540 1.00 5.97 C +ATOM 641 O ALA B 85 26.322 41.288 21.511 1.00 6.10 O +ATOM 642 CB ALA B 85 28.121 41.779 23.887 1.00 5.97 C +ATOM 643 N GLU B 86 27.586 42.826 20.438 1.00 6.62 N +ATOM 644 CA GLU B 86 27.183 42.400 19.085 1.00 7.89 C +ATOM 645 C GLU B 86 27.458 40.896 18.882 1.00 6.42 C +ATOM 646 O GLU B 86 28.600 40.434 19.001 1.00 7.81 O +ATOM 647 CB GLU B 86 27.802 43.348 18.041 1.00 5.77 C +ATOM 648 CG GLU B 86 29.235 43.145 17.715 1.00 8.97 C +ATOM 649 CD GLU B 86 29.409 42.015 16.693 1.00 9.44 C +ATOM 650 OE1 GLU B 86 28.458 41.757 15.904 1.00 8.07 O +ATOM 651 OE2 GLU B 86 30.493 41.388 16.690 1.00 10.90 O +ATOM 652 N ASP B 87 26.385 40.150 18.598 1.00 8.19 N +ATOM 653 CA ASP B 87 26.422 38.690 18.507 1.00 7.61 C +ATOM 654 C ASP B 87 27.195 38.040 17.370 1.00 9.90 C +ATOM 655 O ASP B 87 27.558 36.878 17.475 1.00 8.93 O +ATOM 656 CB ASP B 87 24.996 38.154 18.486 1.00 11.24 C +ATOM 657 CG ASP B 87 24.935 36.637 18.497 1.00 14.46 C +ATOM 658 OD1 ASP B 87 25.407 36.057 19.483 1.00 12.22 O +ATOM 659 OD2 ASP B 87 24.414 36.031 17.512 1.00 15.55 O +ATOM 660 N SER B 88 27.494 38.775 16.307 1.00 9.37 N +ATOM 661 CA SER B 88 28.171 38.135 15.181 1.00 11.83 C +ATOM 662 C SER B 88 29.584 37.679 15.481 1.00 14.50 C +ATOM 663 O SER B 88 30.030 36.666 14.952 1.00 18.60 O +ATOM 664 CB SER B 88 28.181 39.044 13.952 1.00 9.00 C +ATOM 665 OG SER B 88 29.204 40.019 14.076 1.00 9.19 O +ATOM 666 N GLY B 89 30.291 38.418 16.322 1.00 15.25 N +ATOM 667 CA GLY B 89 31.670 38.088 16.616 1.00 17.70 C +ATOM 668 C GLY B 89 32.645 38.749 15.634 1.00 18.87 C +ATOM 669 O GLY B 89 33.841 38.823 15.929 1.00 22.03 O +ATOM 670 N THR B 90 32.153 39.259 14.496 1.00 16.61 N +ATOM 671 CA THR B 90 33.004 39.905 13.490 1.00 14.14 C +ATOM 672 C THR B 90 32.813 41.419 13.426 1.00 15.04 C +ATOM 673 O THR B 90 33.440 42.084 12.587 1.00 12.01 O +ATOM 674 CB THR B 90 32.710 39.369 12.075 1.00 13.59 C +ATOM 675 OG1 THR B 90 31.406 39.802 11.637 1.00 13.05 O +ATOM 676 CG2 THR B 90 32.788 37.868 12.074 1.00 15.07 C +ATOM 677 N GLY B 91 31.962 41.959 14.308 1.00 12.42 N +ATOM 678 CA GLY B 91 31.679 43.383 14.299 1.00 10.72 C +ATOM 679 C GLY B 91 30.473 43.737 13.421 1.00 10.66 C +ATOM 680 O GLY B 91 30.045 44.888 13.404 1.00 11.57 O +ATOM 681 N ALA B 92 29.899 42.737 12.752 1.00 11.24 N +ATOM 682 CA ALA B 92 28.747 42.885 11.864 1.00 10.13 C +ATOM 683 C ALA B 92 27.560 43.585 12.498 1.00 10.56 C +ATOM 684 O ALA B 92 26.895 44.372 11.838 1.00 8.61 O +ATOM 685 CB ALA B 92 28.310 41.532 11.323 1.00 10.98 C +ATOM 686 N TYR B 93 27.293 43.312 13.775 1.00 8.43 N +ATOM 687 CA TYR B 93 26.147 43.950 14.410 1.00 8.67 C +ATOM 688 C TYR B 93 26.501 45.080 15.340 1.00 8.13 C +ATOM 689 O TYR B 93 25.688 45.447 16.198 1.00 8.71 O +ATOM 690 CB TYR B 93 25.266 42.942 15.127 1.00 6.64 C +ATOM 691 CG TYR B 93 24.781 41.830 14.248 1.00 8.36 C +ATOM 692 CD1 TYR B 93 24.470 42.054 12.892 1.00 9.68 C +ATOM 693 CD2 TYR B 93 24.633 40.538 14.747 1.00 9.40 C +ATOM 694 CE1 TYR B 93 24.025 41.018 12.059 1.00 9.61 C +ATOM 695 CE2 TYR B 93 24.193 39.488 13.923 1.00 9.38 C +ATOM 696 CZ TYR B 93 23.887 39.749 12.574 1.00 9.34 C +ATOM 697 OH TYR B 93 23.404 38.749 11.769 1.00 7.98 O +ATOM 698 N ALA B 94 27.688 45.649 15.176 1.00 6.44 N +ATOM 699 CA ALA B 94 28.061 46.785 16.015 1.00 6.70 C +ATOM 700 C ALA B 94 27.059 47.943 15.827 1.00 7.93 C +ATOM 701 O ALA B 94 26.329 47.998 14.849 1.00 8.97 O +ATOM 702 CB ALA B 94 29.434 47.256 15.664 1.00 6.93 C +ATOM 703 N ILE B 95 26.997 48.843 16.789 1.00 6.35 N +ATOM 704 CA ILE B 95 26.134 50.020 16.695 1.00 7.88 C +ATOM 705 C ILE B 95 26.972 51.017 15.894 1.00 9.38 C +ATOM 706 O ILE B 95 28.111 51.332 16.279 1.00 9.61 O +ATOM 707 CB ILE B 95 25.785 50.564 18.109 1.00 7.80 C +ATOM 708 CG1 ILE B 95 24.775 49.610 18.790 1.00 9.30 C +ATOM 709 CG2 ILE B 95 25.229 51.989 18.012 1.00 8.90 C +ATOM 710 CD1 ILE B 95 24.581 49.843 20.276 1.00 8.14 C +ATOM 711 N THR B 96 26.422 51.550 14.802 1.00 8.14 N +ATOM 712 CA THR B 96 27.228 52.414 13.953 1.00 8.73 C +ATOM 713 C THR B 96 26.669 53.790 13.668 1.00 10.09 C +ATOM 714 O THR B 96 27.213 54.522 12.833 1.00 11.13 O +ATOM 715 CB THR B 96 27.493 51.712 12.611 1.00 10.25 C +ATOM 716 OG1 THR B 96 26.239 51.290 12.065 1.00 11.72 O +ATOM 717 CG2 THR B 96 28.391 50.488 12.808 1.00 11.32 C +ATOM 718 N GLU B 97 25.556 54.127 14.309 1.00 10.43 N +ATOM 719 CA GLU B 97 24.978 55.446 14.107 1.00 11.61 C +ATOM 720 C GLU B 97 24.341 55.962 15.373 1.00 10.39 C +ATOM 721 O GLU B 97 24.193 55.227 16.358 1.00 8.00 O +ATOM 722 CB GLU B 97 23.957 55.478 12.941 1.00 13.72 C +ATOM 723 CG GLU B 97 23.361 54.157 12.539 1.00 18.82 C +ATOM 724 CD GLU B 97 22.378 54.259 11.357 1.00 21.55 C +ATOM 725 OE1 GLU B 97 21.724 55.307 11.181 1.00 21.11 O +ATOM 726 OE2 GLU B 97 22.212 53.259 10.629 1.00 24.64 O +ATOM 727 N ASP B 98 24.003 57.248 15.332 1.00 10.27 N +ATOM 728 CA ASP B 98 23.371 57.925 16.458 1.00 9.40 C +ATOM 729 C ASP B 98 21.891 57.616 16.438 1.00 9.53 C +ATOM 730 O ASP B 98 21.274 57.561 15.356 1.00 9.75 O +ATOM 731 CB ASP B 98 23.598 59.443 16.367 1.00 8.86 C +ATOM 732 CG ASP B 98 25.015 59.839 16.675 1.00 10.97 C +ATOM 733 OD1 ASP B 98 25.879 58.937 16.783 1.00 10.60 O +ATOM 734 OD2 ASP B 98 25.271 61.063 16.790 1.00 12.00 O +ATOM 735 N GLY B 99 21.305 57.432 17.621 1.00 7.68 N +ATOM 736 CA GLY B 99 19.897 57.099 17.682 1.00 5.92 C +ATOM 737 C GLY B 99 19.483 56.420 18.956 1.00 6.09 C +ATOM 738 O GLY B 99 20.188 56.536 19.974 1.00 7.31 O +ATOM 739 N VAL B 100 18.355 55.716 18.906 1.00 5.31 N +ATOM 740 CA VAL B 100 17.786 55.051 20.084 1.00 5.26 C +ATOM 741 C VAL B 100 18.417 53.703 20.355 1.00 5.53 C +ATOM 742 O VAL B 100 18.283 52.771 19.554 1.00 5.13 O +ATOM 743 CB VAL B 100 16.226 54.906 19.978 1.00 4.45 C +ATOM 744 CG1 VAL B 100 15.647 54.206 21.238 1.00 5.95 C +ATOM 745 CG2 VAL B 100 15.582 56.267 19.843 1.00 5.81 C +ATOM 746 N PHE B 101 19.115 53.622 21.492 1.00 4.97 N +ATOM 747 CA PHE B 101 19.762 52.376 21.967 1.00 6.52 C +ATOM 748 C PHE B 101 18.712 51.437 22.566 1.00 5.27 C +ATOM 749 O PHE B 101 18.757 50.228 22.334 1.00 6.09 O +ATOM 750 CB PHE B 101 20.824 52.694 23.034 1.00 6.07 C +ATOM 751 CG PHE B 101 21.408 51.464 23.725 1.00 6.85 C +ATOM 752 CD1 PHE B 101 22.157 50.523 23.012 1.00 7.04 C +ATOM 753 CD2 PHE B 101 21.232 51.281 25.109 1.00 6.71 C +ATOM 754 CE1 PHE B 101 22.727 49.411 23.657 1.00 8.74 C +ATOM 755 CE2 PHE B 101 21.795 50.174 25.778 1.00 7.36 C +ATOM 756 CZ PHE B 101 22.550 49.236 25.050 1.00 8.94 C +ATOM 757 N ALA B 102 17.767 51.988 23.329 1.00 4.80 N +ATOM 758 CA ALA B 102 16.738 51.173 23.954 1.00 5.20 C +ATOM 759 C ALA B 102 15.597 52.068 24.340 1.00 6.07 C +ATOM 760 O ALA B 102 15.762 53.292 24.442 1.00 7.78 O +ATOM 761 CB ALA B 102 17.299 50.538 25.231 1.00 5.61 C +ATOM 762 N THR B 103 14.472 51.445 24.652 1.00 6.15 N +ATOM 763 CA THR B 103 13.294 52.174 25.109 1.00 7.92 C +ATOM 764 C THR B 103 12.713 51.562 26.397 1.00 7.26 C +ATOM 765 O THR B 103 12.304 50.415 26.422 1.00 5.19 O +ATOM 766 CB THR B 103 12.193 52.188 24.033 1.00 9.63 C +ATOM 767 OG1 THR B 103 12.720 52.789 22.853 1.00 10.56 O +ATOM 768 CG2 THR B 103 11.019 53.020 24.492 1.00 9.93 C +ATOM 769 N ILE B 104 12.767 52.306 27.493 1.00 5.47 N +ATOM 770 CA ILE B 104 12.178 51.824 28.726 1.00 6.44 C +ATOM 771 C ILE B 104 10.649 52.068 28.654 1.00 7.26 C +ATOM 772 O ILE B 104 10.217 53.176 28.347 1.00 8.98 O +ATOM 773 CB ILE B 104 12.731 52.627 29.935 1.00 6.13 C +ATOM 774 CG1 ILE B 104 14.259 52.506 30.003 1.00 6.61 C +ATOM 775 CG2 ILE B 104 12.063 52.140 31.234 1.00 6.20 C +ATOM 776 CD1 ILE B 104 14.924 53.628 30.790 1.00 6.42 C +ATOM 777 N VAL B 105 9.839 51.049 28.917 1.00 6.58 N +ATOM 778 CA VAL B 105 8.391 51.222 28.906 1.00 8.01 C +ATOM 779 C VAL B 105 8.021 51.072 30.375 1.00 10.36 C +ATOM 780 O VAL B 105 8.325 50.036 31.003 1.00 9.59 O +ATOM 781 CB VAL B 105 7.688 50.138 28.085 1.00 9.22 C +ATOM 782 CG1 VAL B 105 6.201 50.361 28.104 1.00 8.52 C +ATOM 783 CG2 VAL B 105 8.242 50.102 26.652 1.00 8.01 C +ATOM 784 N ALA B 106 7.393 52.103 30.919 1.00 8.98 N +ATOM 785 CA ALA B 106 7.053 52.129 32.335 1.00 11.43 C +ATOM 786 C ALA B 106 5.673 52.699 32.637 1.00 11.65 C +ATOM 787 O ALA B 106 5.135 53.501 31.891 1.00 11.87 O +ATOM 788 CB ALA B 106 8.100 52.957 33.066 1.00 10.94 C +ATOM 789 N LYS B 107 5.078 52.216 33.716 1.00 13.23 N +ATOM 790 CA LYS B 107 3.797 52.740 34.152 1.00 13.33 C +ATOM 791 C LYS B 107 4.001 53.667 35.372 1.00 11.58 C +ATOM 792 O LYS B 107 4.715 53.306 36.319 1.00 11.72 O +ATOM 793 CB LYS B 107 2.835 51.629 34.541 1.00 14.21 C +ATOM 794 CG LYS B 107 1.468 52.206 34.894 1.00 16.75 C +ATOM 795 CD LYS B 107 0.421 51.161 35.150 1.00 19.41 C +ATOM 796 CE LYS B 107 -0.833 51.792 35.732 1.00 21.15 C +ATOM 797 NZ LYS B 107 -1.880 50.771 35.977 1.00 22.84 N +ATOM 798 N VAL B 108 3.476 54.888 35.286 1.00 11.47 N +ATOM 799 CA VAL B 108 3.544 55.830 36.407 1.00 11.83 C +ATOM 800 C VAL B 108 2.439 55.352 37.358 1.00 12.17 C +ATOM 801 O VAL B 108 1.246 55.299 36.994 1.00 12.19 O +ATOM 802 CB VAL B 108 3.269 57.293 35.964 1.00 10.35 C +ATOM 803 CG1 VAL B 108 3.412 58.245 37.165 1.00 10.89 C +ATOM 804 CG2 VAL B 108 4.236 57.707 34.835 1.00 11.00 C +ATOM 805 N LYS B 109 2.840 54.894 38.539 1.00 15.11 N +ATOM 806 CA LYS B 109 1.882 54.401 39.532 1.00 17.64 C +ATOM 807 C LYS B 109 0.773 55.421 39.803 1.00 16.71 C +ATOM 808 O LYS B 109 1.024 56.617 39.846 1.00 13.75 O +ATOM 809 CB LYS B 109 2.608 54.007 40.822 1.00 19.91 C +ATOM 810 CG LYS B 109 3.402 52.704 40.705 1.00 22.29 C +ATOM 811 CD LYS B 109 3.955 52.268 42.056 1.00 25.74 C +ATOM 812 CE LYS B 109 4.534 50.864 41.991 1.00 28.88 C +ATOM 813 NZ LYS B 109 5.661 50.587 42.975 1.00 32.79 N +ATOM 814 N SER B 110 -0.459 54.934 39.872 1.00 20.25 N +ATOM 815 CA SER B 110 -1.631 55.785 40.102 1.00 25.14 C +ATOM 816 C SER B 110 -1.459 56.797 41.242 1.00 28.80 C +ATOM 817 O SER B 110 -1.874 57.949 41.116 1.00 30.10 O +ATOM 818 CB SER B 110 -2.908 54.939 40.310 1.00 25.18 C +ATOM 819 OG SER B 110 -3.422 54.414 39.071 1.00 26.51 O +ATOM 820 N GLY B 111 -0.772 56.403 42.309 1.00 31.04 N +ATOM 821 CA GLY B 111 -0.594 57.317 43.419 1.00 34.64 C +ATOM 822 C GLY B 111 0.679 58.135 43.383 1.00 36.78 C +ATOM 823 O GLY B 111 1.052 58.731 44.400 1.00 39.10 O +ATOM 824 N ALA B 112 1.320 58.213 42.219 1.00 37.02 N +ATOM 825 CA ALA B 112 2.581 58.943 42.084 1.00 36.31 C +ATOM 826 C ALA B 112 2.474 60.439 42.326 1.00 36.96 C +ATOM 827 O ALA B 112 1.514 61.089 41.900 1.00 36.82 O +ATOM 828 CB ALA B 112 3.206 58.687 40.720 1.00 34.80 C +ATOM 829 N PRO B 113 3.445 61.002 43.066 1.00 36.91 N +ATOM 830 CA PRO B 113 3.441 62.442 43.345 1.00 36.18 C +ATOM 831 C PRO B 113 3.904 63.217 42.098 1.00 34.76 C +ATOM 832 O PRO B 113 4.556 62.648 41.226 1.00 34.50 O +ATOM 833 CB PRO B 113 4.426 62.569 44.518 1.00 37.08 C +ATOM 834 CG PRO B 113 5.404 61.429 44.286 1.00 36.89 C +ATOM 835 CD PRO B 113 4.498 60.300 43.834 1.00 37.44 C +ATOM 836 N ASN B 114 3.548 64.499 42.011 1.00 31.90 N +ATOM 837 CA ASN B 114 3.923 65.326 40.876 1.00 30.72 C +ATOM 838 C ASN B 114 5.428 65.624 40.939 1.00 30.68 C +ATOM 839 O ASN B 114 6.038 65.467 41.993 1.00 33.22 O +ATOM 840 CB ASN B 114 3.097 66.614 40.880 1.00 31.72 C +ATOM 841 N GLY B 115 6.032 66.027 39.823 1.00 28.50 N +ATOM 842 CA GLY B 115 7.459 66.308 39.812 1.00 25.52 C +ATOM 843 C GLY B 115 8.292 65.278 39.045 1.00 22.79 C +ATOM 844 O GLY B 115 7.790 64.252 38.578 1.00 20.56 O +ATOM 845 N LEU B 116 9.578 65.574 38.908 1.00 21.06 N +ATOM 846 CA LEU B 116 10.492 64.705 38.185 1.00 18.73 C +ATOM 847 C LEU B 116 10.968 63.472 38.942 1.00 18.41 C +ATOM 848 O LEU B 116 11.557 63.588 40.010 1.00 18.68 O +ATOM 849 CB LEU B 116 11.700 65.508 37.714 1.00 19.01 C +ATOM 850 CG LEU B 116 12.837 64.826 36.940 1.00 20.75 C +ATOM 851 CD1 LEU B 116 12.344 64.294 35.566 1.00 19.98 C +ATOM 852 CD2 LEU B 116 13.952 65.841 36.742 1.00 20.88 C +ATOM 853 N SER B 117 10.683 62.300 38.379 1.00 16.71 N +ATOM 854 CA SER B 117 11.115 61.013 38.930 1.00 14.28 C +ATOM 855 C SER B 117 12.335 60.776 38.057 1.00 14.91 C +ATOM 856 O SER B 117 12.209 60.588 36.862 1.00 15.53 O +ATOM 857 CB SER B 117 10.071 59.939 38.705 1.00 13.57 C +ATOM 858 OG SER B 117 10.420 58.740 39.373 1.00 13.66 O +ATOM 859 N VAL B 118 13.509 60.885 38.663 1.00 13.84 N +ATOM 860 CA VAL B 118 14.790 60.772 37.995 1.00 12.74 C +ATOM 861 C VAL B 118 15.291 59.357 37.671 1.00 11.66 C +ATOM 862 O VAL B 118 15.137 58.435 38.464 1.00 11.60 O +ATOM 863 CB VAL B 118 15.868 61.505 38.847 1.00 12.05 C +ATOM 864 CG1 VAL B 118 17.226 61.493 38.171 1.00 13.20 C +ATOM 865 CG2 VAL B 118 15.439 62.932 39.087 1.00 13.72 C +ATOM 866 N ILE B 119 15.767 59.189 36.439 1.00 10.56 N +ATOM 867 CA ILE B 119 16.413 57.939 36.007 1.00 9.53 C +ATOM 868 C ILE B 119 17.871 58.445 35.902 1.00 8.45 C +ATOM 869 O ILE B 119 18.242 59.233 35.023 1.00 7.65 O +ATOM 870 CB ILE B 119 15.835 57.375 34.708 1.00 8.38 C +ATOM 871 CG1 ILE B 119 14.403 56.954 34.947 1.00 8.22 C +ATOM 872 CG2 ILE B 119 16.628 56.161 34.271 1.00 8.75 C +ATOM 873 CD1 ILE B 119 13.716 56.448 33.754 1.00 9.73 C +ATOM 874 N LYS B 120 18.676 58.046 36.876 1.00 8.68 N +ATOM 875 CA LYS B 120 20.006 58.576 37.021 1.00 9.29 C +ATOM 876 C LYS B 120 21.145 57.629 36.738 1.00 8.68 C +ATOM 877 O LYS B 120 21.106 56.469 37.133 1.00 8.87 O +ATOM 878 CB LYS B 120 20.088 59.091 38.464 1.00 12.92 C +ATOM 879 CG LYS B 120 21.374 59.722 38.848 1.00 16.62 C +ATOM 880 CD LYS B 120 21.250 60.204 40.231 1.00 20.37 C +ATOM 881 CE LYS B 120 22.598 60.603 40.818 1.00 24.84 C +ATOM 882 NZ LYS B 120 22.922 62.063 40.666 1.00 28.28 N +ATOM 883 N PHE B 121 22.177 58.136 36.078 1.00 8.87 N +ATOM 884 CA PHE B 121 23.339 57.318 35.766 1.00 8.38 C +ATOM 885 C PHE B 121 24.005 56.791 37.057 1.00 10.05 C +ATOM 886 O PHE B 121 24.206 57.540 38.024 1.00 10.78 O +ATOM 887 CB PHE B 121 24.343 58.152 34.975 1.00 8.94 C +ATOM 888 CG PHE B 121 25.610 57.429 34.685 1.00 8.30 C +ATOM 889 CD1 PHE B 121 25.591 56.232 33.956 1.00 7.46 C +ATOM 890 CD2 PHE B 121 26.819 57.895 35.184 1.00 8.76 C +ATOM 891 CE1 PHE B 121 26.746 55.523 33.739 1.00 6.80 C +ATOM 892 CE2 PHE B 121 27.987 57.180 34.967 1.00 9.51 C +ATOM 893 CZ PHE B 121 27.950 55.985 34.239 1.00 8.40 C +ATOM 894 N VAL B 122 24.352 55.514 37.055 1.00 9.07 N +ATOM 895 CA VAL B 122 25.016 54.883 38.190 1.00 8.90 C +ATOM 896 C VAL B 122 26.466 54.503 37.884 1.00 9.63 C +ATOM 897 O VAL B 122 27.387 54.996 38.540 1.00 8.93 O +ATOM 898 CB VAL B 122 24.223 53.667 38.705 1.00 7.71 C +ATOM 899 CG1 VAL B 122 25.063 52.847 39.677 1.00 8.65 C +ATOM 900 CG2 VAL B 122 22.950 54.151 39.387 1.00 7.88 C +ATOM 901 N GLU B 123 26.696 53.658 36.873 1.00 8.34 N +ATOM 902 CA GLU B 123 28.057 53.234 36.546 1.00 7.92 C +ATOM 903 C GLU B 123 28.133 52.640 35.143 1.00 8.16 C +ATOM 904 O GLU B 123 27.143 52.096 34.643 1.00 10.04 O +ATOM 905 CB GLU B 123 28.501 52.157 37.545 1.00 7.27 C +ATOM 906 CG GLU B 123 29.954 51.699 37.431 1.00 7.07 C +ATOM 907 CD GLU B 123 30.362 50.828 38.603 1.00 6.14 C +ATOM 908 OE1 GLU B 123 29.567 50.688 39.550 1.00 8.42 O +ATOM 909 OE2 GLU B 123 31.492 50.309 38.590 1.00 8.86 O +ATOM 910 N VAL B 124 29.285 52.774 34.514 1.00 6.76 N +ATOM 911 CA VAL B 124 29.483 52.192 33.192 1.00 7.50 C +ATOM 912 C VAL B 124 30.546 51.124 33.336 1.00 7.61 C +ATOM 913 O VAL B 124 31.490 51.304 34.120 1.00 8.21 O +ATOM 914 CB VAL B 124 29.918 53.260 32.077 1.00 8.49 C +ATOM 915 CG1 VAL B 124 31.189 54.017 32.463 1.00 7.51 C +ATOM 916 CG2 VAL B 124 30.121 52.560 30.688 1.00 6.68 C +ATOM 917 N GLY B 125 30.337 49.978 32.669 1.00 5.43 N +ATOM 918 CA GLY B 125 31.335 48.923 32.649 1.00 6.48 C +ATOM 919 C GLY B 125 32.207 49.181 31.408 1.00 7.86 C +ATOM 920 O GLY B 125 33.054 50.055 31.387 1.00 7.65 O +ATOM 921 N GLY B 126 31.953 48.444 30.341 1.00 8.86 N +ATOM 922 CA GLY B 126 32.695 48.636 29.095 1.00 8.64 C +ATOM 923 C GLY B 126 31.886 49.451 28.095 1.00 8.18 C +ATOM 924 O GLY B 126 30.675 49.585 28.235 1.00 8.59 O +ATOM 925 N PHE B 127 32.557 50.018 27.100 1.00 9.39 N +ATOM 926 CA PHE B 127 31.913 50.811 26.045 1.00 9.35 C +ATOM 927 C PHE B 127 33.007 50.842 24.979 1.00 9.44 C +ATOM 928 O PHE B 127 33.781 51.796 24.869 1.00 9.06 O +ATOM 929 CB PHE B 127 31.529 52.214 26.550 1.00 9.71 C +ATOM 930 CG PHE B 127 30.320 52.783 25.846 1.00 10.40 C +ATOM 931 CD1 PHE B 127 30.386 53.134 24.493 1.00 10.68 C +ATOM 932 CD2 PHE B 127 29.078 52.883 26.509 1.00 8.98 C +ATOM 933 CE1 PHE B 127 29.219 53.575 23.812 1.00 8.46 C +ATOM 934 CE2 PHE B 127 27.920 53.312 25.840 1.00 8.80 C +ATOM 935 CZ PHE B 127 27.997 53.661 24.491 1.00 9.84 C +ATOM 936 N ALA B 128 33.089 49.743 24.238 1.00 8.78 N +ATOM 937 CA ALA B 128 34.172 49.550 23.300 1.00 10.21 C +ATOM 938 C ALA B 128 33.849 49.544 21.818 1.00 10.20 C +ATOM 939 O ALA B 128 32.784 49.085 21.406 1.00 10.04 O +ATOM 940 CB ALA B 128 34.900 48.253 23.674 1.00 9.92 C +ATOM 941 N ASN B 129 34.795 50.018 21.017 1.00 10.76 N +ATOM 942 CA ASN B 129 34.591 50.021 19.583 1.00 11.27 C +ATOM 943 C ASN B 129 34.882 48.634 19.012 1.00 12.47 C +ATOM 944 O ASN B 129 35.154 47.680 19.755 1.00 11.16 O +ATOM 945 CB ASN B 129 35.394 51.141 18.878 1.00 11.22 C +ATOM 946 CG ASN B 129 36.905 50.905 18.874 1.00 11.17 C +ATOM 947 OD1 ASN B 129 37.393 49.797 19.102 1.00 12.07 O +ATOM 948 ND2 ASN B 129 37.642 51.945 18.568 1.00 11.63 N +ATOM 949 N ASN B 130 34.784 48.494 17.693 1.00 14.19 N +ATOM 950 CA ASN B 130 35.021 47.199 17.067 1.00 16.46 C +ATOM 951 C ASN B 130 36.440 46.654 17.165 1.00 18.12 C +ATOM 952 O ASN B 130 36.659 45.450 16.978 1.00 21.36 O +ATOM 953 CB ASN B 130 34.532 47.192 15.630 1.00 16.54 C +ATOM 954 CG ASN B 130 33.125 46.589 15.484 1.00 17.47 C +ATOM 955 OD1 ASN B 130 32.738 45.660 16.189 1.00 15.63 O +ATOM 956 ND2 ASN B 130 32.375 47.104 14.518 1.00 20.58 N +ATOM 957 N ASP B 131 37.404 47.511 17.483 1.00 17.45 N +ATOM 958 CA ASP B 131 38.776 47.049 17.635 1.00 17.97 C +ATOM 959 C ASP B 131 39.024 46.786 19.129 1.00 19.33 C +ATOM 960 O ASP B 131 40.161 46.561 19.548 1.00 20.09 O +ATOM 961 CB ASP B 131 39.759 48.084 17.073 1.00 18.65 C +ATOM 962 N LEU B 132 37.937 46.777 19.915 1.00 19.37 N +ATOM 963 CA LEU B 132 37.956 46.551 21.384 1.00 19.42 C +ATOM 964 C LEU B 132 38.617 47.651 22.237 1.00 17.24 C +ATOM 965 O LEU B 132 39.021 47.423 23.383 1.00 17.67 O +ATOM 966 CB LEU B 132 38.554 45.179 21.727 1.00 21.08 C +ATOM 967 CG LEU B 132 37.768 43.988 21.179 1.00 23.22 C +ATOM 968 CD1 LEU B 132 38.155 42.742 21.950 1.00 24.20 C +ATOM 969 CD2 LEU B 132 36.259 44.226 21.293 1.00 23.31 C +ATOM 970 N VAL B 133 38.701 48.844 21.674 1.00 15.43 N +ATOM 971 CA VAL B 133 39.289 49.970 22.359 1.00 15.06 C +ATOM 972 C VAL B 133 38.181 50.716 23.119 1.00 13.43 C +ATOM 973 O VAL B 133 37.135 51.023 22.561 1.00 12.53 O +ATOM 974 CB VAL B 133 39.994 50.887 21.341 1.00 14.71 C +ATOM 975 CG1 VAL B 133 40.472 52.151 22.004 1.00 17.23 C +ATOM 976 CG2 VAL B 133 41.150 50.148 20.683 1.00 14.41 C +ATOM 977 N GLU B 134 38.385 50.928 24.413 1.00 11.12 N +ATOM 978 CA GLU B 134 37.407 51.639 25.231 1.00 12.23 C +ATOM 979 C GLU B 134 37.210 53.072 24.750 1.00 12.10 C +ATOM 980 O GLU B 134 38.177 53.809 24.585 1.00 12.54 O +ATOM 981 CB GLU B 134 37.829 51.655 26.724 1.00 12.73 C +ATOM 982 CG GLU B 134 37.754 50.288 27.421 1.00 12.99 C +ATOM 983 CD GLU B 134 36.346 49.685 27.417 1.00 13.12 C +ATOM 984 OE1 GLU B 134 35.362 50.422 27.578 1.00 13.01 O +ATOM 985 OE2 GLU B 134 36.223 48.468 27.260 1.00 16.24 O +ATOM 986 N GLN B 135 35.950 53.465 24.571 1.00 12.24 N +ATOM 987 CA GLN B 135 35.595 54.811 24.108 1.00 11.95 C +ATOM 988 C GLN B 135 35.251 55.749 25.287 1.00 12.10 C +ATOM 989 O GLN B 135 34.743 55.293 26.314 1.00 11.64 O +ATOM 990 CB GLN B 135 34.394 54.728 23.145 1.00 11.76 C +ATOM 991 CG GLN B 135 34.565 53.751 21.960 1.00 12.44 C +ATOM 992 CD GLN B 135 35.600 54.224 20.985 1.00 13.77 C +ATOM 993 OE1 GLN B 135 35.357 55.141 20.216 1.00 14.75 O +ATOM 994 NE2 GLN B 135 36.782 53.617 21.024 1.00 15.20 N +ATOM 995 N LYS B 136 35.537 57.045 25.136 1.00 10.69 N +ATOM 996 CA LYS B 136 35.226 58.034 26.171 1.00 10.52 C +ATOM 997 C LYS B 136 33.707 58.173 26.160 1.00 11.24 C +ATOM 998 O LYS B 136 33.081 58.215 25.084 1.00 13.03 O +ATOM 999 CB LYS B 136 35.897 59.414 25.857 1.00 11.94 C +ATOM 1000 N THR B 137 33.108 58.217 27.337 1.00 8.62 N +ATOM 1001 CA THR B 137 31.659 58.333 27.416 1.00 9.79 C +ATOM 1002 C THR B 137 31.274 59.464 28.349 1.00 9.98 C +ATOM 1003 O THR B 137 32.091 59.927 29.138 1.00 10.63 O +ATOM 1004 CB THR B 137 30.983 57.025 27.973 1.00 9.98 C +ATOM 1005 OG1 THR B 137 31.497 56.745 29.276 1.00 12.46 O +ATOM 1006 CG2 THR B 137 31.246 55.837 27.081 1.00 9.96 C +ATOM 1007 N GLN B 138 30.054 59.935 28.177 1.00 9.63 N +ATOM 1008 CA GLN B 138 29.431 60.944 29.007 1.00 11.51 C +ATOM 1009 C GLN B 138 27.967 60.475 29.136 1.00 11.51 C +ATOM 1010 O GLN B 138 27.245 60.374 28.124 1.00 11.65 O +ATOM 1011 CB GLN B 138 29.454 62.332 28.355 1.00 13.62 C +ATOM 1012 CG GLN B 138 30.676 63.140 28.627 1.00 16.55 C +ATOM 1013 CD GLN B 138 30.534 64.579 28.184 1.00 19.64 C +ATOM 1014 OE1 GLN B 138 29.960 64.887 27.123 1.00 19.81 O +ATOM 1015 NE2 GLN B 138 31.074 65.485 28.988 1.00 21.44 N +ATOM 1016 N PHE B 139 27.545 60.172 30.366 1.00 9.36 N +ATOM 1017 CA PHE B 139 26.177 59.731 30.656 1.00 9.46 C +ATOM 1018 C PHE B 139 25.358 60.838 31.318 1.00 10.20 C +ATOM 1019 O PHE B 139 25.831 61.509 32.250 1.00 10.72 O +ATOM 1020 CB PHE B 139 26.184 58.483 31.546 1.00 7.88 C +ATOM 1021 CG PHE B 139 26.693 57.251 30.866 1.00 7.63 C +ATOM 1022 CD1 PHE B 139 28.058 57.013 30.740 1.00 9.10 C +ATOM 1023 CD2 PHE B 139 25.801 56.289 30.389 1.00 9.33 C +ATOM 1024 CE1 PHE B 139 28.521 55.811 30.143 1.00 6.93 C +ATOM 1025 CE2 PHE B 139 26.260 55.098 29.796 1.00 7.99 C +ATOM 1026 CZ PHE B 139 27.610 54.867 29.679 1.00 7.29 C +ATOM 1027 N PHE B 140 24.115 60.989 30.856 1.00 9.38 N +ATOM 1028 CA PHE B 140 23.194 62.024 31.332 1.00 10.55 C +ATOM 1029 C PHE B 140 21.903 61.396 31.814 1.00 10.76 C +ATOM 1030 O PHE B 140 21.468 60.366 31.292 1.00 9.66 O +ATOM 1031 CB PHE B 140 22.894 63.030 30.214 1.00 10.79 C +ATOM 1032 CG PHE B 140 24.104 63.709 29.690 1.00 11.06 C +ATOM 1033 CD1 PHE B 140 24.845 63.137 28.661 1.00 11.95 C +ATOM 1034 CD2 PHE B 140 24.509 64.935 30.214 1.00 13.43 C +ATOM 1035 CE1 PHE B 140 25.979 63.781 28.152 1.00 13.02 C +ATOM 1036 CE2 PHE B 140 25.659 65.604 29.708 1.00 13.89 C +ATOM 1037 CZ PHE B 140 26.396 65.020 28.667 1.00 13.97 C +ATOM 1038 N ASP B 141 21.283 62.026 32.802 1.00 10.03 N +ATOM 1039 CA ASP B 141 20.068 61.500 33.397 1.00 12.60 C +ATOM 1040 C ASP B 141 18.834 61.971 32.643 1.00 12.04 C +ATOM 1041 O ASP B 141 18.897 62.887 31.836 1.00 11.63 O +ATOM 1042 CB ASP B 141 19.933 61.994 34.849 1.00 15.06 C +ATOM 1043 CG ASP B 141 21.189 61.775 35.676 1.00 16.40 C +ATOM 1044 OD1 ASP B 141 21.991 60.889 35.335 1.00 15.02 O +ATOM 1045 OD2 ASP B 141 21.360 62.506 36.674 1.00 15.75 O +ATOM 1046 N GLY B 142 17.712 61.359 32.968 1.00 11.85 N +ATOM 1047 CA GLY B 142 16.451 61.722 32.367 1.00 10.78 C +ATOM 1048 C GLY B 142 15.425 61.380 33.418 1.00 10.98 C +ATOM 1049 O GLY B 142 15.710 61.491 34.606 1.00 12.27 O +ATOM 1050 N GLY B 143 14.260 60.911 32.997 1.00 10.42 N +ATOM 1051 CA GLY B 143 13.210 60.552 33.937 1.00 11.93 C +ATOM 1052 C GLY B 143 11.822 60.953 33.447 1.00 11.78 C +ATOM 1053 O GLY B 143 11.639 61.307 32.282 1.00 14.59 O +ATOM 1054 N VAL B 144 10.849 60.922 34.332 1.00 10.78 N +ATOM 1055 CA VAL B 144 9.481 61.268 33.968 1.00 12.33 C +ATOM 1056 C VAL B 144 9.018 62.483 34.770 1.00 16.02 C +ATOM 1057 O VAL B 144 8.978 62.446 36.000 1.00 17.77 O +ATOM 1058 CB VAL B 144 8.497 60.106 34.256 1.00 10.39 C +ATOM 1059 CG1 VAL B 144 7.068 60.464 33.829 1.00 10.26 C +ATOM 1060 CG2 VAL B 144 8.963 58.837 33.560 1.00 11.64 C +ATOM 1061 N ASN B 145 8.696 63.569 34.087 1.00 18.17 N +ATOM 1062 CA ASN B 145 8.205 64.730 34.797 1.00 21.05 C +ATOM 1063 C ASN B 145 6.728 64.453 35.041 1.00 21.08 C +ATOM 1064 O ASN B 145 5.906 64.553 34.121 1.00 19.55 O +ATOM 1065 CB ASN B 145 8.401 65.972 33.963 1.00 23.87 C +ATOM 1066 CG ASN B 145 7.927 67.194 34.674 1.00 27.64 C +ATOM 1067 OD1 ASN B 145 7.978 67.268 35.925 1.00 29.57 O +ATOM 1068 ND2 ASN B 145 7.453 68.177 33.908 1.00 28.35 N +ATOM 1069 N VAL B 146 6.408 63.987 36.243 1.00 20.73 N +ATOM 1070 CA VAL B 146 5.028 63.643 36.567 1.00 21.84 C +ATOM 1071 C VAL B 146 4.236 64.917 36.790 1.00 26.11 C +ATOM 1072 O VAL B 146 4.742 65.874 37.365 1.00 26.70 O +ATOM 1073 CB VAL B 146 4.952 62.691 37.772 1.00 20.86 C +ATOM 1074 CG1 VAL B 146 3.513 62.295 38.064 1.00 20.04 C +ATOM 1075 CG2 VAL B 146 5.780 61.445 37.505 1.00 18.05 C +ATOM 1076 N GLY B 147 3.036 64.967 36.230 1.00 29.17 N +ATOM 1077 CA GLY B 147 2.198 66.144 36.359 1.00 33.47 C +ATOM 1078 C GLY B 147 0.747 65.714 36.324 1.00 36.94 C +ATOM 1079 O GLY B 147 0.387 64.939 35.415 1.00 39.56 O +ATOM 1080 OXT GLY B 147 -0.030 66.099 37.226 1.00 40.27 O +TER 1081 GLY B 147 +END diff --git a/bench/main_benchmark/structures/SFB_OL_GB1SW_2QMTA_1Q9VA/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_GB1SW_2QMTA_1Q9VA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b08a3f6e5a6376390295e455421bd988a72435ee --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_GB1SW_2QMTA_1Q9VA/state_a.pdb @@ -0,0 +1,440 @@ +ATOM 1 N MET A 1 -0.289 27.922 25.680 1.00 10.61 N +ATOM 2 CA MET A 1 0.136 28.162 24.322 1.00 10.12 C +ATOM 3 C MET A 1 -0.375 27.076 23.367 1.00 8.57 C +ATOM 4 O MET A 1 -0.458 25.943 23.800 1.00 9.29 O +ATOM 5 CB MET A 1 1.648 28.265 24.266 1.00 11.78 C +ATOM 6 CG MET A 1 2.082 28.903 22.922 1.00 14.19 C +ATOM 7 SD MET A 1 3.858 29.332 22.996 1.00 15.49 S +ATOM 8 CE MET A 1 3.740 30.671 24.161 1.00 13.45 C +ATOM 9 N GLN A 2 -0.638 27.472 22.156 1.00 9.84 N +ATOM 10 CA GLN A 2 -1.050 26.463 21.142 1.00 9.06 C +ATOM 11 C GLN A 2 0.204 25.807 20.563 1.00 8.63 C +ATOM 12 O GLN A 2 1.139 26.453 20.198 1.00 10.75 O +ATOM 13 CB GLN A 2 -1.822 27.060 20.035 1.00 10.21 C +ATOM 14 CG GLN A 2 -3.119 27.748 20.090 1.00 18.67 C +ATOM 15 CD GLN A 2 -3.792 27.664 18.717 1.00 29.22 C +ATOM 16 OE1 GLN A 2 -3.157 27.837 17.673 1.00 58.36 O +ATOM 17 NE2 GLN A 2 -5.071 27.345 18.734 1.00 33.90 N +ATOM 18 N TYR A 3 0.190 24.479 20.503 1.00 8.48 N +ATOM 19 CA TYR A 3 1.163 23.650 19.850 1.00 7.99 C +ATOM 20 C TYR A 3 0.455 22.830 18.776 1.00 8.26 C +ATOM 21 O TYR A 3 -0.695 22.426 18.960 1.00 9.29 O +ATOM 22 CB TYR A 3 1.863 22.689 20.833 1.00 8.67 C +ATOM 23 CG TYR A 3 2.705 23.479 21.836 1.00 8.21 C +ATOM 24 CD1 TYR A 3 4.036 23.761 21.653 1.00 8.04 C +ATOM 25 CD2 TYR A 3 2.074 23.976 22.999 1.00 8.39 C +ATOM 26 CE1 TYR A 3 4.788 24.489 22.574 1.00 9.04 C +ATOM 27 CE2 TYR A 3 2.795 24.729 23.930 1.00 10.03 C +ATOM 28 CZ TYR A 3 4.126 24.965 23.699 1.00 8.52 C +ATOM 29 OH TYR A 3 4.840 25.729 24.629 1.00 9.84 O +ATOM 30 N LYS A 4 1.131 22.569 17.703 1.00 7.91 N +ATOM 31 CA LYS A 4 0.570 21.841 16.579 1.00 8.50 C +ATOM 32 C LYS A 4 1.314 20.545 16.318 1.00 7.07 C +ATOM 33 O LYS A 4 2.553 20.496 16.508 1.00 9.00 O +ATOM 34 CB LYS A 4 0.673 22.688 15.340 1.00 10.34 C +ATOM 35 CG LYS A 4 -0.026 22.105 14.107 1.00 13.50 C +ATOM 36 CD LYS A 4 0.070 23.183 13.026 1.00 19.61 C +ATOM 37 CE LYS A 4 -0.623 22.735 11.769 1.00 27.51 C +ATOM 38 NZ LYS A 4 -0.698 23.808 10.722 1.00 28.10 N +ATOM 39 N LEU A 5 0.594 19.513 15.914 1.00 8.02 N +ATOM 40 CA LEU A 5 1.145 18.240 15.473 1.00 8.08 C +ATOM 41 C LEU A 5 0.770 17.998 14.041 1.00 8.20 C +ATOM 42 O LEU A 5 -0.423 18.004 13.693 1.00 8.86 O +ATOM 43 CB LEU A 5 0.631 17.102 16.363 1.00 8.81 C +ATOM 44 CG LEU A 5 1.048 15.695 15.925 1.00 8.73 C +ATOM 45 CD1 LEU A 5 2.520 15.444 16.110 1.00 9.45 C +ATOM 46 CD2 LEU A 5 0.271 14.663 16.737 1.00 11.26 C +ATOM 47 N ILE A 6 1.773 17.751 13.219 1.00 7.90 N +ATOM 48 CA ILE A 6 1.583 17.293 11.835 1.00 8.38 C +ATOM 49 C ILE A 6 1.758 15.784 11.827 1.00 8.27 C +ATOM 50 O ILE A 6 2.818 15.245 12.217 1.00 9.05 O +ATOM 51 CB ILE A 6 2.577 17.940 10.872 1.00 10.06 C +ATOM 52 CG1 ILE A 6 2.605 19.451 10.945 1.00 15.40 C +ATOM 53 CG2 ILE A 6 2.310 17.481 9.446 1.00 11.81 C +ATOM 54 CD1 ILE A 6 3.526 20.273 10.140 1.00 22.44 C +ATOM 55 N LEU A 7 0.712 15.097 11.383 1.00 9.47 N +ATOM 56 CA LEU A 7 0.641 13.649 11.297 1.00 9.93 C +ATOM 57 C LEU A 7 0.950 13.162 9.887 1.00 8.37 C +ATOM 58 O LEU A 7 0.232 13.522 8.966 1.00 9.38 O +ATOM 59 CB LEU A 7 -0.764 13.183 11.699 1.00 12.24 C +ATOM 60 CG LEU A 7 -1.154 13.406 13.170 1.00 13.45 C +ATOM 61 CD1 LEU A 7 -2.683 13.566 13.317 1.00 15.32 C +ATOM 62 CD2 LEU A 7 -0.733 12.241 14.021 1.00 14.68 C +ATOM 63 N ASN A 8 1.959 12.347 9.773 1.00 9.58 N +ATOM 64 CA ASN A 8 2.270 11.691 8.501 1.00 10.18 C +ATOM 65 C ASN A 8 2.483 10.216 8.793 1.00 10.58 C +ATOM 66 O ASN A 8 3.539 9.620 8.552 1.00 11.56 O +ATOM 67 CB ASN A 8 3.425 12.342 7.812 1.00 12.04 C +ATOM 68 CG ASN A 8 3.605 11.891 6.385 1.00 16.50 C +ATOM 69 OD1 ASN A 8 2.714 11.267 5.803 1.00 17.85 O +ATOM 70 ND2 ASN A 8 4.750 12.237 5.796 1.00 17.23 N +ATOM 71 N GLY A 9 1.489 9.590 9.345 1.00 11.35 N +ATOM 72 CA GLY A 9 1.491 8.159 9.547 1.00 12.49 C +ATOM 73 C GLY A 9 1.187 7.420 8.258 1.00 11.24 C +ATOM 74 O GLY A 9 0.793 7.981 7.268 1.00 13.40 O +ATOM 75 N LYS A 10 1.352 6.076 8.344 1.00 13.09 N +ATOM 76 CA LYS A 10 0.999 5.235 7.211 1.00 14.12 C +ATOM 77 C LYS A 10 -0.453 5.393 6.816 1.00 12.88 C +ATOM 78 O LYS A 10 -0.721 5.484 5.611 1.00 14.06 O +ATOM 79 CB LYS A 10 1.344 3.779 7.566 1.00 18.77 C +ATOM 80 CG LYS A 10 2.844 3.467 7.493 1.00 22.82 C +ATOM 81 CD LYS A 10 3.102 1.982 7.713 1.00 32.27 C +ATOM 82 CE LYS A 10 4.445 1.728 8.382 1.00 48.44 C +ATOM 83 NZ LYS A 10 4.332 1.406 9.840 1.00 40.39 N +ATOM 84 N THR A 11 -1.317 5.449 7.847 1.00 10.62 N +ATOM 85 CA THR A 11 -2.725 5.685 7.473 1.00 11.54 C +ATOM 86 C THR A 11 -3.311 6.905 8.125 1.00 10.95 C +ATOM 87 O THR A 11 -4.329 7.388 7.568 1.00 11.88 O +ATOM 88 CB THR A 11 -3.309 4.313 7.835 1.00 17.95 C +ATOM 89 OG1 THR A 11 -4.419 4.029 7.011 1.00 55.03 O +ATOM 90 CG2 THR A 11 -3.557 4.293 9.311 1.00 12.41 C +ATOM 91 N LEU A 12 -2.768 7.424 9.235 1.00 9.70 N +ATOM 92 CA LEU A 12 -3.308 8.605 9.907 1.00 10.14 C +ATOM 93 C LEU A 12 -2.514 9.808 9.480 1.00 9.11 C +ATOM 94 O LEU A 12 -1.277 9.897 9.729 1.00 9.90 O +ATOM 95 CB LEU A 12 -3.318 8.403 11.421 1.00 10.36 C +ATOM 96 CG LEU A 12 -4.355 8.957 12.392 1.00 37.35 C +ATOM 97 CD1 LEU A 12 -3.740 9.324 13.769 1.00 11.71 C +ATOM 98 CD2 LEU A 12 -5.176 10.147 11.886 1.00 10.26 C +ATOM 99 N LYS A 13 -3.160 10.771 8.829 1.00 8.48 N +ATOM 100 CA LYS A 13 -2.524 11.968 8.335 1.00 8.93 C +ATOM 101 C LYS A 13 -3.359 13.197 8.713 1.00 8.01 C +ATOM 102 O LYS A 13 -4.557 13.126 8.872 1.00 8.96 O +ATOM 103 CB LYS A 13 -2.342 11.894 6.806 1.00 11.50 C +ATOM 104 CG LYS A 13 -1.388 10.715 6.398 1.00 11.64 C +ATOM 105 CD LYS A 13 -1.247 10.705 4.874 1.00 15.75 C +ATOM 106 CE LYS A 13 -0.479 9.499 4.377 1.00 17.84 C +ATOM 107 NZ LYS A 13 0.874 9.263 4.855 1.00 22.26 N +ATOM 108 N GLY A 14 -2.708 14.353 8.755 1.00 8.96 N +ATOM 109 CA GLY A 14 -3.380 15.633 8.958 1.00 9.02 C +ATOM 110 C GLY A 14 -2.712 16.433 10.040 1.00 8.43 C +ATOM 111 O GLY A 14 -1.453 16.398 10.202 1.00 10.14 O +ATOM 112 N GLU A 15 -3.505 17.202 10.800 1.00 7.81 N +ATOM 113 CA GLU A 15 -2.984 18.079 11.801 1.00 9.09 C +ATOM 114 C GLU A 15 -3.885 18.174 12.982 1.00 8.81 C +ATOM 115 O GLU A 15 -5.128 18.097 12.823 1.00 9.85 O +ATOM 116 CB GLU A 15 -2.940 19.514 11.261 1.00 13.63 C +ATOM 117 CG GLU A 15 -2.142 19.701 10.019 1.00 14.22 C +ATOM 118 CD GLU A 15 -2.242 21.078 9.447 1.00 15.75 C +ATOM 119 OE1 GLU A 15 -3.223 21.791 9.747 1.00 16.96 O +ATOM 120 OE2 GLU A 15 -1.275 21.408 8.738 1.00 18.94 O +ATOM 121 N THR A 16 -3.296 18.381 14.141 1.00 8.84 N +ATOM 122 CA THR A 16 -4.107 18.650 15.327 1.00 10.66 C +ATOM 123 C THR A 16 -3.364 19.659 16.172 1.00 9.91 C +ATOM 124 O THR A 16 -2.157 19.807 16.065 1.00 12.31 O +ATOM 125 CB THR A 16 -4.318 17.344 16.069 1.00 11.88 C +ATOM 126 OG1 THR A 16 -4.824 16.281 15.259 1.00 33.58 O +ATOM 127 CG2 THR A 16 -5.384 17.587 17.109 1.00 11.50 C +ATOM 128 N THR A 17 -4.087 20.370 17.031 1.00 10.91 N +ATOM 129 CA THR A 17 -3.470 21.312 17.944 1.00 9.78 C +ATOM 130 C THR A 17 -3.873 21.027 19.373 1.00 10.55 C +ATOM 131 O THR A 17 -4.930 20.425 19.652 1.00 13.33 O +ATOM 132 CB THR A 17 -3.879 22.762 17.605 1.00 11.43 C +ATOM 133 OG1 THR A 17 -5.274 22.839 17.857 1.00 19.36 O +ATOM 134 CG2 THR A 17 -3.480 23.064 16.194 1.00 13.74 C +ATOM 135 N THR A 18 -3.047 21.477 20.307 1.00 8.97 N +ATOM 136 CA THR A 18 -3.378 21.360 21.736 1.00 9.80 C +ATOM 137 C THR A 18 -2.916 22.609 22.442 1.00 9.60 C +ATOM 138 O THR A 18 -1.973 23.255 22.049 1.00 10.41 O +ATOM 139 CB THR A 18 -2.786 20.086 22.354 1.00 11.04 C +ATOM 140 OG1 THR A 18 -3.513 19.733 23.539 1.00 13.32 O +ATOM 141 CG2 THR A 18 -1.318 20.269 22.743 1.00 11.14 C +ATOM 142 N GLU A 19 -3.629 22.957 23.497 1.00 9.41 N +ATOM 143 CA GLU A 19 -3.282 24.057 24.382 1.00 10.97 C +ATOM 144 C GLU A 19 -2.507 23.502 25.561 1.00 10.47 C +ATOM 145 O GLU A 19 -3.004 22.668 26.309 1.00 13.18 O +ATOM 146 CB GLU A 19 -4.524 24.792 24.845 1.00 11.22 C +ATOM 147 CG GLU A 19 -5.390 25.367 23.749 1.00 32.80 C +ATOM 148 CD GLU A 19 -4.579 26.325 22.878 1.00 45.01 C +ATOM 149 OE1 GLU A 19 -3.938 27.187 23.522 1.00 34.82 O +ATOM 150 OE2 GLU A 19 -4.685 26.080 21.654 1.00 31.86 O +ATOM 151 N ALA A 20 -1.268 23.960 25.761 1.00 9.29 N +ATOM 152 CA ALA A 20 -0.431 23.409 26.822 1.00 9.68 C +ATOM 153 C ALA A 20 0.412 24.511 27.464 1.00 9.12 C +ATOM 154 O ALA A 20 0.712 25.525 26.894 1.00 9.62 O +ATOM 155 CB ALA A 20 0.443 22.283 26.295 1.00 10.49 C +ATOM 156 N VAL A 21 0.810 24.202 28.706 1.00 9.32 N +ATOM 157 CA VAL A 21 1.614 25.198 29.434 1.00 9.56 C +ATOM 158 C VAL A 21 3.004 25.291 28.877 1.00 9.85 C +ATOM 159 O VAL A 21 3.657 26.341 29.071 1.00 10.68 O +ATOM 160 CB VAL A 21 1.731 24.861 30.928 1.00 9.62 C +ATOM 161 CG1 VAL A 21 0.375 25.055 31.629 1.00 12.25 C +ATOM 162 CG2 VAL A 21 2.204 23.446 31.190 1.00 11.24 C +ATOM 163 N ASP A 22 3.538 24.252 28.236 1.00 9.28 N +ATOM 164 CA ASP A 22 4.905 24.230 27.704 1.00 9.55 C +ATOM 165 C ASP A 22 5.018 23.099 26.698 1.00 8.59 C +ATOM 166 O ASP A 22 4.126 22.282 26.548 1.00 8.95 O +ATOM 167 CB ASP A 22 5.944 24.124 28.816 1.00 11.48 C +ATOM 168 CG ASP A 22 5.751 22.967 29.751 1.00 10.76 C +ATOM 169 OD1 ASP A 22 5.291 21.910 29.301 1.00 11.08 O +ATOM 170 OD2 ASP A 22 5.968 23.109 31.010 1.00 14.12 O +ATOM 171 N ALA A 23 6.148 23.132 25.999 1.00 8.75 N +ATOM 172 CA ALA A 23 6.354 22.187 24.881 1.00 9.81 C +ATOM 173 C ALA A 23 6.508 20.774 25.420 1.00 8.28 C +ATOM 174 O ALA A 23 6.048 19.787 24.815 1.00 8.91 O +ATOM 175 CB ALA A 23 7.547 22.553 24.049 1.00 10.93 C +ATOM 176 N ALA A 24 7.088 20.606 26.611 1.00 9.40 N +ATOM 177 CA ALA A 24 7.250 19.284 27.182 1.00 9.09 C +ATOM 178 C ALA A 24 5.908 18.639 27.466 1.00 9.72 C +ATOM 179 O ALA A 24 5.748 17.437 27.295 1.00 10.11 O +ATOM 180 CB ALA A 24 8.065 19.346 28.465 1.00 11.87 C +ATOM 181 N THR A 25 4.963 19.474 27.904 1.00 9.42 N +ATOM 182 CA THR A 25 3.643 18.953 28.170 1.00 10.78 C +ATOM 183 C THR A 25 2.899 18.608 26.869 1.00 9.10 C +ATOM 184 O THR A 25 2.260 17.546 26.780 1.00 10.20 O +ATOM 185 CB THR A 25 2.877 19.958 29.050 1.00 10.16 C +ATOM 186 OG1 THR A 25 3.619 20.129 30.269 1.00 11.80 O +ATOM 187 CG2 THR A 25 1.520 19.428 29.389 1.00 14.12 C +ATOM 188 N ALA A 26 3.020 19.508 25.897 1.00 9.20 N +ATOM 189 CA ALA A 26 2.417 19.199 24.588 1.00 8.86 C +ATOM 190 C ALA A 26 3.011 17.931 23.996 1.00 8.72 C +ATOM 191 O ALA A 26 2.281 17.133 23.382 1.00 8.95 O +ATOM 192 CB ALA A 26 2.620 20.392 23.660 1.00 9.69 C +ATOM 193 N GLU A 27 4.288 17.725 24.145 1.00 8.02 N +ATOM 194 CA GLU A 27 4.940 16.521 23.637 1.00 7.91 C +ATOM 195 C GLU A 27 4.301 15.273 24.221 1.00 8.21 C +ATOM 196 O GLU A 27 4.056 14.296 23.476 1.00 8.94 O +ATOM 197 CB GLU A 27 6.414 16.546 23.954 1.00 8.49 C +ATOM 198 CG GLU A 27 7.146 15.331 23.388 1.00 9.51 C +ATOM 199 CD GLU A 27 8.562 15.168 23.896 1.00 8.98 C +ATOM 200 OE1 GLU A 27 8.995 15.867 24.845 1.00 11.78 O +ATOM 201 OE2 GLU A 27 9.291 14.319 23.325 1.00 10.51 O +ATOM 202 N LYS A 28 4.045 15.261 25.480 1.00 9.00 N +ATOM 203 CA LYS A 28 3.415 14.121 26.146 1.00 9.54 C +ATOM 204 C LYS A 28 2.019 13.913 25.588 1.00 9.26 C +ATOM 205 O LYS A 28 1.598 12.778 25.324 1.00 10.48 O +ATOM 206 CB LYS A 28 3.378 14.287 27.658 1.00 11.87 C +ATOM 207 CG LYS A 28 4.762 14.210 28.271 1.00 13.89 C +ATOM 208 CD LYS A 28 4.788 14.696 29.721 1.00 19.80 C +ATOM 209 CE LYS A 28 6.057 14.285 30.451 1.00 26.33 C +ATOM 210 NZ LYS A 28 6.328 15.294 31.512 1.00 29.45 N +ATOM 211 N VAL A 29 1.237 14.967 25.426 1.00 9.41 N +ATOM 212 CA VAL A 29 -0.103 14.848 24.864 1.00 9.43 C +ATOM 213 C VAL A 29 -0.031 14.239 23.472 1.00 8.70 C +ATOM 214 O VAL A 29 -0.774 13.324 23.114 1.00 9.40 O +ATOM 215 CB VAL A 29 -0.784 16.224 24.831 1.00 10.49 C +ATOM 216 CG1 VAL A 29 -2.054 16.215 23.980 1.00 12.30 C +ATOM 217 CG2 VAL A 29 -1.115 16.713 26.242 1.00 11.96 C +ATOM 218 N PHE A 30 0.837 14.780 22.605 1.00 7.75 N +ATOM 219 CA PHE A 30 0.906 14.303 21.230 1.00 7.99 C +ATOM 220 C PHE A 30 1.435 12.894 21.130 1.00 8.00 C +ATOM 221 O PHE A 30 0.967 12.132 20.282 1.00 8.31 O +ATOM 222 CB PHE A 30 1.717 15.306 20.403 1.00 7.93 C +ATOM 223 CG PHE A 30 1.040 16.616 20.135 1.00 7.84 C +ATOM 224 CD1 PHE A 30 -0.327 16.742 19.931 1.00 8.02 C +ATOM 225 CD2 PHE A 30 1.775 17.785 20.058 1.00 8.45 C +ATOM 226 CE1 PHE A 30 -0.913 17.938 19.625 1.00 9.60 C +ATOM 227 CE2 PHE A 30 1.199 18.992 19.739 1.00 8.42 C +ATOM 228 CZ PHE A 30 -0.172 19.089 19.541 1.00 8.68 C +ATOM 229 N LYS A 31 2.438 12.552 21.911 1.00 8.51 N +ATOM 230 CA LYS A 31 2.985 11.186 21.837 1.00 8.92 C +ATOM 231 C LYS A 31 1.941 10.221 22.365 1.00 8.73 C +ATOM 232 O LYS A 31 1.810 9.138 21.817 1.00 9.59 O +ATOM 233 CB LYS A 31 4.312 11.061 22.564 1.00 10.21 C +ATOM 234 CG LYS A 31 5.400 11.668 21.703 1.00 10.56 C +ATOM 235 CD LYS A 31 6.764 11.593 22.313 1.00 12.07 C +ATOM 236 CE LYS A 31 7.831 11.834 21.243 1.00 13.98 C +ATOM 237 NZ LYS A 31 9.097 11.895 22.019 1.00 12.46 N +ATOM 238 N GLN A 32 1.172 10.586 23.377 1.00 8.53 N +ATOM 239 CA GLN A 32 0.097 9.686 23.810 1.00 9.75 C +ATOM 240 C GLN A 32 -0.943 9.525 22.738 1.00 9.82 C +ATOM 241 O GLN A 32 -1.414 8.406 22.460 1.00 10.62 O +ATOM 242 CB GLN A 32 -0.484 10.211 25.116 1.00 10.79 C +ATOM 243 CG GLN A 32 0.604 10.328 26.177 1.00 41.44 C +ATOM 244 CD GLN A 32 0.397 9.640 27.500 1.00 55.76 C +ATOM 245 OE1 GLN A 32 0.562 10.189 28.593 1.00 52.88 O +ATOM 246 NE2 GLN A 32 0.028 8.372 27.408 1.00 18.07 N +ATOM 247 N TYR A 33 -1.346 10.598 22.094 1.00 8.95 N +ATOM 248 CA TYR A 33 -2.324 10.581 21.019 1.00 10.03 C +ATOM 249 C TYR A 33 -1.813 9.700 19.877 1.00 8.94 C +ATOM 250 O TYR A 33 -2.563 8.818 19.328 1.00 9.78 O +ATOM 251 CB TYR A 33 -2.578 11.998 20.518 1.00 10.88 C +ATOM 252 CG TYR A 33 -3.345 12.042 19.218 1.00 12.02 C +ATOM 253 CD1 TYR A 33 -4.742 11.937 19.179 1.00 14.36 C +ATOM 254 CD2 TYR A 33 -2.682 12.211 17.995 1.00 13.51 C +ATOM 255 CE1 TYR A 33 -5.411 11.994 17.959 1.00 17.27 C +ATOM 256 CE2 TYR A 33 -3.338 12.253 16.814 1.00 15.81 C +ATOM 257 CZ TYR A 33 -4.705 12.144 16.793 1.00 14.45 C +ATOM 258 OH TYR A 33 -5.240 12.216 15.516 1.00 21.31 O +ATOM 259 N ALA A 34 -0.561 9.873 19.455 1.00 9.21 N +ATOM 260 CA ALA A 34 -0.022 9.057 18.368 1.00 9.87 C +ATOM 261 C ALA A 34 -0.028 7.594 18.794 1.00 9.37 C +ATOM 262 O ALA A 34 -0.462 6.729 17.993 1.00 12.12 O +ATOM 263 CB ALA A 34 1.378 9.529 18.011 1.00 11.37 C +ATOM 264 N ASN A 35 0.467 7.305 19.951 1.00 10.43 N +ATOM 265 CA ASN A 35 0.507 5.899 20.409 1.00 12.05 C +ATOM 266 C ASN A 35 -0.907 5.309 20.392 1.00 11.18 C +ATOM 267 O ASN A 35 -1.111 4.155 19.926 1.00 13.99 O +ATOM 268 CB ASN A 35 1.077 5.840 21.803 1.00 13.52 C +ATOM 269 CG ASN A 35 1.037 4.436 22.383 1.00 18.91 C +ATOM 270 OD1 ASN A 35 1.872 3.594 22.128 1.00 25.84 O +ATOM 271 ND2 ASN A 35 0.014 4.186 23.189 1.00 20.69 N +ATOM 272 N ASP A 36 -1.871 6.010 20.870 1.00 10.31 N +ATOM 273 CA ASP A 36 -3.230 5.482 21.007 1.00 11.92 C +ATOM 274 C ASP A 36 -3.854 5.244 19.646 1.00 11.25 C +ATOM 275 O ASP A 36 -4.830 4.462 19.495 1.00 13.70 O +ATOM 276 CB ASP A 36 -4.073 6.440 21.823 1.00 12.83 C +ATOM 277 CG ASP A 36 -3.649 6.507 23.275 1.00 11.14 C +ATOM 278 OD1 ASP A 36 -2.706 5.842 23.674 1.00 13.37 O +ATOM 279 OD2 ASP A 36 -4.329 7.289 23.937 1.00 12.73 O +ATOM 280 N ASN A 37 -3.394 5.927 18.613 1.00 10.77 N +ATOM 281 CA ASN A 37 -3.865 5.764 17.234 1.00 11.84 C +ATOM 282 C ASN A 37 -2.899 4.887 16.468 1.00 11.82 C +ATOM 283 O ASN A 37 -3.048 4.901 15.209 1.00 14.72 O +ATOM 284 CB ASN A 37 -4.031 7.130 16.564 1.00 14.75 C +ATOM 285 CG ASN A 37 -5.248 7.832 17.104 1.00 13.37 C +ATOM 286 OD1 ASN A 37 -6.349 7.592 16.551 1.00 20.38 O +ATOM 287 ND2 ASN A 37 -5.199 8.609 18.149 1.00 15.10 N +ATOM 288 N GLY A 38 -2.013 4.198 17.027 1.00 12.73 N +ATOM 289 CA GLY A 38 -1.181 3.219 16.365 1.00 16.83 C +ATOM 290 C GLY A 38 -0.094 3.809 15.512 1.00 14.99 C +ATOM 291 O GLY A 38 0.421 3.104 14.614 1.00 18.68 O +ATOM 292 N VAL A 39 0.273 5.060 15.743 1.00 12.44 N +ATOM 293 CA VAL A 39 1.350 5.659 14.992 1.00 11.49 C +ATOM 294 C VAL A 39 2.641 5.479 15.737 1.00 14.34 C +ATOM 295 O VAL A 39 2.711 6.000 16.883 1.00 20.70 O +ATOM 296 CB VAL A 39 1.081 7.162 14.774 1.00 12.68 C +ATOM 297 CG1 VAL A 39 2.188 7.826 13.982 1.00 13.81 C +ATOM 298 CG2 VAL A 39 -0.276 7.301 14.104 1.00 14.38 C +ATOM 299 N ASP A 40 3.612 4.858 15.149 1.00 13.94 N +ATOM 300 CA ASP A 40 4.924 4.584 15.677 1.00 12.82 C +ATOM 301 C ASP A 40 5.956 5.088 14.710 1.00 12.81 C +ATOM 302 O ASP A 40 6.308 4.446 13.730 1.00 15.64 O +ATOM 303 CB ASP A 40 5.078 3.048 15.831 1.00 18.47 C +ATOM 304 CG ASP A 40 6.377 2.610 16.468 1.00 25.87 C +ATOM 305 OD1 ASP A 40 7.168 3.451 16.939 1.00 25.26 O +ATOM 306 OD2 ASP A 40 6.589 1.376 16.532 1.00 35.95 O +ATOM 307 N GLY A 41 6.417 6.320 14.885 1.00 13.39 N +ATOM 308 CA GLY A 41 7.188 7.020 13.918 1.00 14.49 C +ATOM 309 C GLY A 41 8.360 7.853 14.450 1.00 11.67 C +ATOM 310 O GLY A 41 8.753 7.772 15.615 1.00 14.20 O +ATOM 311 N GLU A 42 8.929 8.590 13.581 1.00 9.76 N +ATOM 312 CA GLU A 42 10.036 9.521 13.915 1.00 9.51 C +ATOM 313 C GLU A 42 9.472 10.895 14.136 1.00 8.71 C +ATOM 314 O GLU A 42 8.535 11.338 13.445 1.00 9.76 O +ATOM 315 CB GLU A 42 11.055 9.533 12.799 1.00 11.95 C +ATOM 316 CG GLU A 42 11.911 8.277 12.752 1.00 16.87 C +ATOM 317 CD GLU A 42 12.142 7.537 14.036 1.00 44.20 C +ATOM 318 OE1 GLU A 42 12.648 8.120 15.017 1.00 44.56 O +ATOM 319 OE2 GLU A 42 11.822 6.323 14.108 1.00 73.11 O +ATOM 320 N TRP A 43 10.041 11.625 15.085 1.00 8.15 N +ATOM 321 CA TRP A 43 9.501 12.877 15.562 1.00 8.11 C +ATOM 322 C TRP A 43 10.476 14.031 15.337 1.00 6.86 C +ATOM 323 O TRP A 43 11.702 13.902 15.479 1.00 7.85 O +ATOM 324 CB TRP A 43 9.298 12.821 17.083 1.00 8.23 C +ATOM 325 CG TRP A 43 8.124 11.946 17.412 1.00 8.55 C +ATOM 326 CD1 TRP A 43 8.080 10.585 17.460 1.00 9.48 C +ATOM 327 CD2 TRP A 43 6.800 12.380 17.727 1.00 8.28 C +ATOM 328 NE1 TRP A 43 6.809 10.156 17.783 1.00 9.66 N +ATOM 329 CE2 TRP A 43 6.000 11.245 17.955 1.00 9.61 C +ATOM 330 CE3 TRP A 43 6.219 13.636 17.836 1.00 8.24 C +ATOM 331 CZ2 TRP A 43 4.648 11.310 18.276 1.00 9.38 C +ATOM 332 CZ3 TRP A 43 4.873 13.700 18.166 1.00 9.86 C +ATOM 333 CH2 TRP A 43 4.103 12.571 18.388 1.00 9.79 C +ATOM 334 N THR A 44 9.932 15.191 15.001 1.00 7.62 N +ATOM 335 CA THR A 44 10.632 16.462 15.102 1.00 7.91 C +ATOM 336 C THR A 44 9.809 17.445 15.958 1.00 8.00 C +ATOM 337 O THR A 44 8.580 17.300 16.123 1.00 8.42 O +ATOM 338 CB THR A 44 10.927 17.113 13.737 1.00 8.42 C +ATOM 339 OG1 THR A 44 9.713 17.594 13.124 1.00 10.51 O +ATOM 340 CG2 THR A 44 11.583 16.144 12.774 1.00 9.81 C +ATOM 341 N TYR A 45 10.496 18.477 16.424 1.00 8.11 N +ATOM 342 CA TYR A 45 9.864 19.584 17.121 1.00 8.47 C +ATOM 343 C TYR A 45 10.633 20.858 16.780 1.00 7.99 C +ATOM 344 O TYR A 45 11.873 20.879 16.849 1.00 8.92 O +ATOM 345 CB TYR A 45 9.821 19.412 18.653 1.00 7.74 C +ATOM 346 CG TYR A 45 9.300 20.662 19.313 1.00 8.25 C +ATOM 347 CD1 TYR A 45 8.034 21.097 19.120 1.00 8.78 C +ATOM 348 CD2 TYR A 45 10.128 21.393 20.162 1.00 8.86 C +ATOM 349 CE1 TYR A 45 7.532 22.228 19.719 1.00 8.76 C +ATOM 350 CE2 TYR A 45 9.646 22.554 20.744 1.00 9.88 C +ATOM 351 CZ TYR A 45 8.341 22.970 20.542 1.00 8.73 C +ATOM 352 OH TYR A 45 7.857 24.145 21.088 1.00 10.28 O +ATOM 353 N ASP A 46 9.924 21.907 16.387 1.00 8.43 N +ATOM 354 CA ASP A 46 10.550 23.179 16.164 1.00 9.28 C +ATOM 355 C ASP A 46 9.994 24.187 17.176 1.00 8.14 C +ATOM 356 O ASP A 46 8.837 24.535 17.165 1.00 9.90 O +ATOM 357 CB ASP A 46 10.322 23.700 14.746 1.00 12.53 C +ATOM 358 CG ASP A 46 11.330 24.788 14.418 1.00 15.36 C +ATOM 359 OD1 ASP A 46 11.848 25.471 15.326 1.00 18.76 O +ATOM 360 OD2 ASP A 46 11.676 24.917 13.210 1.00 19.11 O +ATOM 361 N ASP A 47 10.898 24.627 18.061 1.00 10.10 N +ATOM 362 CA ASP A 47 10.491 25.512 19.156 1.00 10.55 C +ATOM 363 C ASP A 47 10.139 26.905 18.660 1.00 12.08 C +ATOM 364 O ASP A 47 9.500 27.703 19.406 1.00 13.05 O +ATOM 365 CB ASP A 47 11.579 25.560 20.246 1.00 10.49 C +ATOM 366 CG ASP A 47 11.042 26.060 21.558 1.00 12.54 C +ATOM 367 OD1 ASP A 47 9.928 25.692 22.008 1.00 12.02 O +ATOM 368 OD2 ASP A 47 11.783 26.784 22.283 1.00 16.64 O +ATOM 369 N ALA A 48 10.524 27.276 17.481 1.00 11.68 N +ATOM 370 CA ALA A 48 10.222 28.606 16.961 1.00 14.06 C +ATOM 371 C ALA A 48 8.792 28.605 16.453 1.00 13.57 C +ATOM 372 O ALA A 48 8.115 29.656 16.558 1.00 16.40 O +ATOM 373 CB ALA A 48 11.194 29.016 15.851 1.00 15.91 C +ATOM 374 N THR A 49 8.303 27.512 15.865 1.00 11.98 N +ATOM 375 CA THR A 49 6.966 27.441 15.291 1.00 12.59 C +ATOM 376 C THR A 49 5.987 26.613 16.117 1.00 10.86 C +ATOM 377 O THR A 49 4.814 26.458 15.749 1.00 12.91 O +ATOM 378 CB THR A 49 7.024 26.849 13.866 1.00 14.30 C +ATOM 379 OG1 THR A 49 7.404 25.487 14.004 1.00 12.43 O +ATOM 380 CG2 THR A 49 8.063 27.555 13.030 1.00 15.92 C +ATOM 381 N LYS A 50 6.411 26.106 17.246 1.00 9.58 N +ATOM 382 CA LYS A 50 5.608 25.362 18.178 1.00 9.20 C +ATOM 383 C LYS A 50 4.963 24.182 17.491 1.00 8.62 C +ATOM 384 O LYS A 50 3.858 23.759 17.823 1.00 10.79 O +ATOM 385 CB LYS A 50 4.597 26.250 18.908 1.00 9.59 C +ATOM 386 CG LYS A 50 5.193 27.511 19.520 1.00 11.00 C +ATOM 387 CD LYS A 50 6.235 27.231 20.567 1.00 10.18 C +ATOM 388 CE LYS A 50 6.932 28.503 21.049 1.00 12.34 C +ATOM 389 NZ LYS A 50 8.019 28.098 21.971 1.00 12.61 N +ATOM 390 N THR A 51 5.690 23.549 16.562 1.00 8.74 N +ATOM 391 CA THR A 51 5.138 22.463 15.743 1.00 8.49 C +ATOM 392 C THR A 51 5.947 21.189 15.881 1.00 7.97 C +ATOM 393 O THR A 51 7.180 21.216 15.716 1.00 9.28 O +ATOM 394 CB THR A 51 5.127 22.930 14.273 1.00 9.29 C +ATOM 395 OG1 THR A 51 4.259 24.059 14.160 1.00 11.62 O +ATOM 396 CG2 THR A 51 4.532 21.861 13.371 1.00 11.45 C +ATOM 397 N PHE A 52 5.264 20.117 16.150 1.00 7.62 N +ATOM 398 CA PHE A 52 5.759 18.766 16.210 1.00 7.76 C +ATOM 399 C PHE A 52 5.376 18.050 14.901 1.00 7.80 C +ATOM 400 O PHE A 52 4.325 18.370 14.306 1.00 8.45 O +ATOM 401 CB PHE A 52 5.111 17.947 17.331 1.00 7.62 C +ATOM 402 CG PHE A 52 5.410 18.440 18.707 1.00 7.52 C +ATOM 403 CD1 PHE A 52 4.764 19.486 19.289 1.00 8.92 C +ATOM 404 CD2 PHE A 52 6.404 17.818 19.429 1.00 8.37 C +ATOM 405 CE1 PHE A 52 5.031 19.897 20.582 1.00 8.76 C +ATOM 406 CE2 PHE A 52 6.686 18.174 20.743 1.00 8.32 C +ATOM 407 CZ PHE A 52 6.000 19.254 21.324 1.00 7.98 C +ATOM 408 N THR A 53 6.176 17.096 14.478 1.00 7.68 N +ATOM 409 CA THR A 53 5.765 16.218 13.377 1.00 7.62 C +ATOM 410 C THR A 53 6.019 14.789 13.790 1.00 8.25 C +ATOM 411 O THR A 53 6.995 14.510 14.512 1.00 8.83 O +ATOM 412 CB THR A 53 6.486 16.500 12.035 1.00 8.62 C +ATOM 413 OG1 THR A 53 7.842 16.056 12.091 1.00 11.33 O +ATOM 414 CG2 THR A 53 6.448 17.954 11.730 1.00 9.39 C +ATOM 415 N VAL A 54 5.162 13.878 13.326 1.00 8.11 N +ATOM 416 CA VAL A 54 5.447 12.450 13.460 1.00 8.01 C +ATOM 417 C VAL A 54 5.220 11.770 12.117 1.00 8.16 C +ATOM 418 O VAL A 54 4.204 11.983 11.426 1.00 9.59 O +ATOM 419 CB VAL A 54 4.607 11.773 14.557 1.00 9.05 C +ATOM 420 CG1 VAL A 54 3.097 11.883 14.341 1.00 8.95 C +ATOM 421 CG2 VAL A 54 5.021 10.309 14.726 1.00 9.48 C +ATOM 422 N THR A 55 6.192 10.959 11.696 1.00 9.04 N +ATOM 423 CA THR A 55 6.221 10.355 10.371 1.00 9.74 C +ATOM 424 C THR A 55 6.552 8.886 10.482 1.00 9.58 C +ATOM 425 O THR A 55 7.550 8.495 11.114 1.00 12.09 O +ATOM 426 CB THR A 55 7.273 11.032 9.485 1.00 9.85 C +ATOM 427 OG1 THR A 55 6.968 12.434 9.487 1.00 11.62 O +ATOM 428 CG2 THR A 55 7.243 10.487 8.078 1.00 12.87 C +ATOM 429 N GLU A 56 5.746 8.050 9.841 1.00 10.29 N +ATOM 430 CA GLU A 56 6.035 6.627 9.727 1.00 12.75 C +ATOM 431 C GLU A 56 6.697 6.273 8.386 1.00 19.58 C +ATOM 432 O GLU A 56 6.586 7.040 7.456 1.00 18.77 O +ATOM 433 CB GLU A 56 4.755 5.824 9.860 1.00 14.63 C +ATOM 434 CG GLU A 56 4.209 5.857 11.264 1.00 13.33 C +ATOM 435 CD GLU A 56 3.031 4.952 11.472 1.00 15.16 C +ATOM 436 OE1 GLU A 56 2.013 4.954 10.710 1.00 18.50 O +ATOM 437 OE2 GLU A 56 3.019 4.149 12.406 1.00 16.91 O +ATOM 438 OXT GLU A 56 7.279 5.095 8.401 1.00 23.62 O +TER 439 GLU A 56 +END diff --git a/bench/main_benchmark/structures/SFB_OL_GB1SW_2QMTA_1Q9VA/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_GB1SW_2QMTA_1Q9VA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..fcdea73cbd12b7e871611edbe2f433482f725381 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_GB1SW_2QMTA_1Q9VA/state_b.pdb @@ -0,0 +1,1703 @@ +ATOM 1 N ASP A 1 15.331 29.861 124.930 1.00 31.17 N +ATOM 2 CA ASP A 1 15.226 28.424 124.611 1.00 33.12 C +ATOM 3 C ASP A 1 13.842 27.908 124.451 1.00 28.93 C +ATOM 4 O ASP A 1 13.627 26.731 124.692 1.00 31.93 O +ATOM 5 CB ASP A 1 15.926 27.564 125.653 1.00 33.36 C +ATOM 6 CG ASP A 1 17.309 27.217 125.255 1.00 37.81 C +ATOM 7 OD1 ASP A 1 18.164 27.047 126.153 1.00 42.18 O +ATOM 8 OD2 ASP A 1 17.541 27.106 124.039 1.00 41.44 O +ATOM 9 N ILE A 2 12.878 28.741 124.084 1.00 26.39 N +ATOM 10 CA ILE A 2 11.561 28.139 123.902 1.00 23.38 C +ATOM 11 C ILE A 2 11.141 28.102 122.451 1.00 23.34 C +ATOM 12 O ILE A 2 10.710 29.110 121.881 1.00 23.74 O +ATOM 13 CB ILE A 2 10.428 28.797 124.715 1.00 21.92 C +ATOM 14 CG1 ILE A 2 10.756 28.775 126.215 1.00 20.59 C +ATOM 15 CG2 ILE A 2 9.134 27.978 124.491 1.00 22.23 C +ATOM 16 CD1 ILE A 2 9.643 29.365 127.107 1.00 18.24 C +ATOM 17 N VAL A 3 11.270 26.908 121.881 1.00 21.04 N +ATOM 18 CA VAL A 3 10.927 26.634 120.497 1.00 20.24 C +ATOM 19 C VAL A 3 9.452 26.300 120.400 1.00 19.55 C +ATOM 20 O VAL A 3 8.936 25.405 121.116 1.00 18.53 O +ATOM 21 CB VAL A 3 11.728 25.436 119.952 1.00 21.98 C +ATOM 22 CG1 VAL A 3 11.383 25.210 118.492 1.00 20.98 C +ATOM 23 CG2 VAL A 3 13.211 25.695 120.114 1.00 24.42 C +ATOM 24 N MET A 4 8.775 27.005 119.494 1.00 17.29 N +ATOM 25 CA MET A 4 7.334 26.816 119.285 1.00 16.38 C +ATOM 26 C MET A 4 7.118 26.230 117.890 1.00 14.79 C +ATOM 27 O MET A 4 7.623 26.771 116.905 1.00 18.43 O +ATOM 28 CB MET A 4 6.599 28.156 119.366 1.00 14.84 C +ATOM 29 CG MET A 4 6.740 28.913 120.674 1.00 17.22 C +ATOM 30 SD MET A 4 6.112 27.979 122.093 1.00 15.85 S +ATOM 31 CE MET A 4 4.298 27.812 121.729 1.00 17.11 C +ATOM 32 N SER A 5 6.382 25.140 117.796 1.00 14.91 N +ATOM 33 CA SER A 5 6.143 24.527 116.495 1.00 16.43 C +ATOM 34 C SER A 5 4.650 24.231 116.291 1.00 16.06 C +ATOM 35 O SER A 5 3.939 23.829 117.219 1.00 16.73 O +ATOM 36 CB SER A 5 6.993 23.251 116.346 1.00 17.70 C +ATOM 37 OG SER A 5 6.629 22.277 117.309 1.00 23.64 O +ATOM 38 N GLN A 6 4.174 24.452 115.075 1.00 14.24 N +ATOM 39 CA GLN A 6 2.767 24.225 114.795 1.00 13.93 C +ATOM 40 C GLN A 6 2.579 23.193 113.714 1.00 15.91 C +ATOM 41 O GLN A 6 3.461 22.966 112.872 1.00 15.28 O +ATOM 42 CB GLN A 6 2.079 25.521 114.386 1.00 13.46 C +ATOM 43 CG GLN A 6 1.938 26.515 115.551 1.00 13.02 C +ATOM 44 CD GLN A 6 1.303 27.813 115.125 1.00 12.15 C +ATOM 45 OE1 GLN A 6 1.948 28.867 115.141 1.00 11.63 O +ATOM 46 NE2 GLN A 6 0.027 27.749 114.724 1.00 12.18 N +ATOM 47 N SER A 7 1.398 22.594 113.727 1.00 15.70 N +ATOM 48 CA SER A 7 1.067 21.550 112.769 1.00 16.43 C +ATOM 49 C SER A 7 -0.436 21.602 112.554 1.00 15.89 C +ATOM 50 O SER A 7 -1.187 21.852 113.494 1.00 16.14 O +ATOM 51 CB SER A 7 1.450 20.187 113.355 1.00 18.03 C +ATOM 52 OG SER A 7 1.082 19.154 112.469 1.00 22.07 O +ATOM 53 N PRO A 8 -0.892 21.433 111.306 1.00 14.45 N +ATOM 54 CA PRO A 8 -0.142 21.211 110.068 1.00 14.43 C +ATOM 55 C PRO A 8 0.401 22.544 109.568 1.00 13.65 C +ATOM 56 O PRO A 8 0.102 23.584 110.146 1.00 15.01 O +ATOM 57 CB PRO A 8 -1.206 20.648 109.123 1.00 14.14 C +ATOM 58 CG PRO A 8 -2.428 21.458 109.530 1.00 14.91 C +ATOM 59 CD PRO A 8 -2.345 21.344 111.061 1.00 13.89 C +ATOM 60 N SER A 9 1.216 22.525 108.517 1.00 14.28 N +ATOM 61 CA SER A 9 1.715 23.769 107.931 1.00 13.53 C +ATOM 62 C SER A 9 0.534 24.409 107.216 1.00 15.07 C +ATOM 63 O SER A 9 0.399 25.630 107.194 1.00 14.21 O +ATOM 64 CB SER A 9 2.822 23.504 106.911 1.00 16.25 C +ATOM 65 OG SER A 9 3.958 22.956 107.564 1.00 18.52 O +ATOM 66 N SER A 10 -0.301 23.572 106.591 1.00 13.17 N +ATOM 67 CA SER A 10 -1.494 24.074 105.923 1.00 13.06 C +ATOM 68 C SER A 10 -2.497 22.960 105.729 1.00 14.60 C +ATOM 69 O SER A 10 -2.132 21.780 105.788 1.00 12.75 O +ATOM 70 CB SER A 10 -1.146 24.677 104.564 1.00 14.07 C +ATOM 71 OG SER A 10 -0.590 23.709 103.682 1.00 12.64 O +ATOM 72 N LEU A 11 -3.761 23.334 105.516 1.00 14.85 N +ATOM 73 CA LEU A 11 -4.819 22.360 105.237 1.00 15.02 C +ATOM 74 C LEU A 11 -6.025 23.105 104.656 1.00 15.81 C +ATOM 75 O LEU A 11 -6.070 24.340 104.690 1.00 15.18 O +ATOM 76 CB LEU A 11 -5.241 21.583 106.502 1.00 16.46 C +ATOM 77 CG LEU A 11 -6.047 22.369 107.546 1.00 18.85 C +ATOM 78 CD1 LEU A 11 -6.643 21.404 108.566 1.00 18.85 C +ATOM 79 CD2 LEU A 11 -5.138 23.424 108.226 1.00 17.46 C +ATOM 80 N ALA A 12 -6.990 22.368 104.108 1.00 14.54 N +ATOM 81 CA ALA A 12 -8.194 23.002 103.579 1.00 15.78 C +ATOM 82 C ALA A 12 -9.389 22.272 104.156 1.00 17.63 C +ATOM 83 O ALA A 12 -9.377 21.047 104.312 1.00 18.43 O +ATOM 84 CB ALA A 12 -8.229 22.946 102.062 1.00 17.33 C +ATOM 85 N VAL A 13 -10.419 23.027 104.489 1.00 17.39 N +ATOM 86 CA VAL A 13 -11.603 22.430 105.062 1.00 18.64 C +ATOM 87 C VAL A 13 -12.818 23.088 104.424 1.00 19.21 C +ATOM 88 O VAL A 13 -12.795 24.275 104.101 1.00 18.36 O +ATOM 89 CB VAL A 13 -11.625 22.644 106.597 1.00 21.45 C +ATOM 90 CG1 VAL A 13 -12.920 22.103 107.174 1.00 20.14 C +ATOM 91 CG2 VAL A 13 -10.426 21.919 107.252 1.00 23.37 C +ATOM 92 N SER A 14 -13.867 22.303 104.210 1.00 19.16 N +ATOM 93 CA SER A 14 -15.090 22.839 103.630 1.00 19.89 C +ATOM 94 C SER A 14 -15.901 23.570 104.707 1.00 19.02 C +ATOM 95 O SER A 14 -15.853 23.219 105.876 1.00 20.57 O +ATOM 96 CB SER A 14 -15.934 21.703 103.043 1.00 20.44 C +ATOM 97 OG SER A 14 -15.346 21.180 101.869 1.00 21.78 O +ATOM 98 N ALA A 15 -16.659 24.579 104.299 1.00 18.68 N +ATOM 99 CA ALA A 15 -17.475 25.330 105.242 1.00 20.28 C +ATOM 100 C ALA A 15 -18.433 24.393 105.954 1.00 20.57 C +ATOM 101 O ALA A 15 -19.028 23.498 105.339 1.00 21.52 O +ATOM 102 CB ALA A 15 -18.260 26.423 104.503 1.00 21.92 C +ATOM 103 N GLY A 16 -18.579 24.604 107.253 1.00 19.49 N +ATOM 104 CA GLY A 16 -19.459 23.771 108.051 1.00 19.94 C +ATOM 105 C GLY A 16 -18.742 22.635 108.752 1.00 19.12 C +ATOM 106 O GLY A 16 -19.281 22.035 109.684 1.00 20.55 O +ATOM 107 N GLU A 17 -17.521 22.322 108.336 1.00 18.84 N +ATOM 108 CA GLU A 17 -16.801 21.234 108.983 1.00 19.60 C +ATOM 109 C GLU A 17 -15.908 21.752 110.101 1.00 20.90 C +ATOM 110 O GLU A 17 -15.816 22.966 110.323 1.00 21.39 O +ATOM 111 CB GLU A 17 -15.988 20.451 107.937 1.00 21.16 C +ATOM 112 CG GLU A 17 -16.854 19.978 106.757 1.00 24.66 C +ATOM 113 CD GLU A 17 -18.003 19.050 107.182 1.00 29.12 C +ATOM 114 OE1 GLU A 17 -19.006 18.960 106.435 1.00 31.96 O +ATOM 115 OE2 GLU A 17 -17.913 18.400 108.247 1.00 30.61 O +ATOM 116 N LYS A 18 -15.272 20.828 110.805 1.00 21.15 N +ATOM 117 CA LYS A 18 -14.396 21.154 111.919 1.00 22.27 C +ATOM 118 C LYS A 18 -12.933 21.214 111.505 1.00 22.31 C +ATOM 119 O LYS A 18 -12.504 20.527 110.587 1.00 21.22 O +ATOM 120 CB LYS A 18 -14.559 20.125 113.034 1.00 27.15 C +ATOM 121 CG LYS A 18 -13.478 20.217 114.109 1.00 31.25 C +ATOM 122 CD LYS A 18 -13.580 19.077 115.108 1.00 35.03 C +ATOM 123 CE LYS A 18 -14.630 19.364 116.161 1.00 37.78 C +ATOM 124 NZ LYS A 18 -15.963 19.617 115.558 1.00 40.97 N +ATOM 125 N VAL A 19 -12.183 22.051 112.203 1.00 20.45 N +ATOM 126 CA VAL A 19 -10.762 22.244 111.963 1.00 20.86 C +ATOM 127 C VAL A 19 -10.020 22.055 113.288 1.00 21.17 C +ATOM 128 O VAL A 19 -10.456 22.585 114.328 1.00 20.90 O +ATOM 129 CB VAL A 19 -10.464 23.692 111.493 1.00 20.60 C +ATOM 130 CG1 VAL A 19 -8.960 23.938 111.454 1.00 23.24 C +ATOM 131 CG2 VAL A 19 -11.087 23.957 110.129 1.00 24.70 C +ATOM 132 N THR A 20 -8.926 21.296 113.272 1.00 20.68 N +ATOM 133 CA THR A 20 -8.121 21.165 114.479 1.00 20.00 C +ATOM 134 C THR A 20 -6.656 21.391 114.078 1.00 19.21 C +ATOM 135 O THR A 20 -6.188 20.872 113.061 1.00 18.98 O +ATOM 136 CB THR A 20 -8.286 19.777 115.191 1.00 22.88 C +ATOM 137 OG1 THR A 20 -7.318 18.846 114.703 1.00 27.06 O +ATOM 138 CG2 THR A 20 -9.679 19.230 114.961 1.00 21.16 C +ATOM 139 N MET A 21 -5.958 22.225 114.841 1.00 17.39 N +ATOM 140 CA MET A 21 -4.556 22.501 114.581 1.00 18.08 C +ATOM 141 C MET A 21 -3.819 22.475 115.913 1.00 17.51 C +ATOM 142 O MET A 21 -4.405 22.758 116.969 1.00 16.67 O +ATOM 143 CB MET A 21 -4.366 23.833 113.868 1.00 17.86 C +ATOM 144 CG MET A 21 -4.993 25.004 114.548 1.00 16.31 C +ATOM 145 SD MET A 21 -4.789 26.470 113.544 1.00 20.64 S +ATOM 146 CE MET A 21 -6.101 26.324 112.447 1.00 12.85 C +ATOM 147 N SER A 22 -2.534 22.148 115.843 1.00 15.44 N +ATOM 148 CA SER A 22 -1.709 21.935 117.016 1.00 14.53 C +ATOM 149 C SER A 22 -0.573 22.901 117.213 1.00 13.32 C +ATOM 150 O SER A 22 -0.107 23.513 116.262 1.00 15.75 O +ATOM 151 CB SER A 22 -1.125 20.525 116.949 1.00 16.21 C +ATOM 152 OG SER A 22 -2.128 19.552 116.754 1.00 23.06 O +ATOM 153 N CYS A 23 -0.120 22.994 118.459 1.00 12.77 N +ATOM 154 CA CYS A 23 0.972 23.881 118.824 1.00 14.55 C +ATOM 155 C CYS A 23 1.731 23.264 119.965 1.00 15.28 C +ATOM 156 O CYS A 23 1.153 22.957 121.008 1.00 17.86 O +ATOM 157 CB CYS A 23 0.421 25.233 119.245 1.00 16.28 C +ATOM 158 SG CYS A 23 1.618 26.374 120.020 1.00 15.62 S +ATOM 159 N LYS A 24 3.025 23.069 119.749 1.00 15.81 N +ATOM 160 CA LYS A 24 3.899 22.481 120.753 1.00 15.76 C +ATOM 161 C LYS A 24 4.990 23.464 121.198 1.00 14.63 C +ATOM 162 O LYS A 24 5.498 24.257 120.393 1.00 14.68 O +ATOM 163 CB LYS A 24 4.558 21.206 120.194 1.00 18.08 C +ATOM 164 CG LYS A 24 5.594 20.602 121.143 1.00 20.32 C +ATOM 165 CD LYS A 24 6.248 19.348 120.598 1.00 22.14 C +ATOM 166 CE LYS A 24 5.296 18.179 120.513 1.00 20.65 C +ATOM 167 NZ LYS A 24 4.936 17.569 121.834 1.00 20.24 N +ATOM 168 N SER A 25 5.312 23.421 122.486 1.00 14.20 N +ATOM 169 CA SER A 25 6.372 24.233 123.069 1.00 14.84 C +ATOM 170 C SER A 25 7.485 23.288 123.537 1.00 16.53 C +ATOM 171 O SER A 25 7.188 22.185 124.025 1.00 17.40 O +ATOM 172 CB SER A 25 5.865 24.998 124.287 1.00 17.82 C +ATOM 173 OG SER A 25 6.959 25.669 124.908 1.00 21.13 O +ATOM 174 N SER A 26 8.745 23.716 123.430 1.00 17.48 N +ATOM 175 CA SER A 26 9.883 22.875 123.857 1.00 18.30 C +ATOM 176 C SER A 26 9.942 22.713 125.383 1.00 20.59 C +ATOM 177 O SER A 26 10.639 21.836 125.900 1.00 21.80 O +ATOM 178 CB SER A 26 11.208 23.455 123.350 1.00 20.34 C +ATOM 179 OG SER A 26 11.325 24.806 123.748 1.00 20.19 O +ATOM 180 N GLN A 27 9.249 23.578 126.111 1.00 19.73 N +ATOM 181 CA GLN A 27 9.183 23.439 127.562 1.00 20.98 C +ATOM 182 C GLN A 27 7.786 23.852 127.981 1.00 18.79 C +ATOM 183 O GLN A 27 7.091 24.542 127.247 1.00 18.38 O +ATOM 184 CB GLN A 27 10.252 24.268 128.281 1.00 24.17 C +ATOM 185 CG GLN A 27 10.136 25.762 128.145 1.00 26.40 C +ATOM 186 CD GLN A 27 11.217 26.486 128.938 1.00 29.87 C +ATOM 187 OE1 GLN A 27 11.015 26.868 130.093 1.00 30.10 O +ATOM 188 NE2 GLN A 27 12.381 26.662 128.319 1.00 30.49 N +ATOM 189 N SER A 28 7.360 23.387 129.145 1.00 17.97 N +ATOM 190 CA SER A 28 6.036 23.669 129.654 1.00 16.63 C +ATOM 191 C SER A 28 5.776 25.153 129.791 1.00 16.77 C +ATOM 192 O SER A 28 6.631 25.895 130.279 1.00 17.05 O +ATOM 193 CB SER A 28 5.854 23.013 131.030 1.00 17.79 C +ATOM 194 OG SER A 28 4.591 23.363 131.597 1.00 21.07 O +ATOM 195 N LEU A 29 4.575 25.574 129.405 1.00 16.41 N +ATOM 196 CA LEU A 29 4.179 26.968 129.504 1.00 16.81 C +ATOM 197 C LEU A 29 3.270 27.177 130.725 1.00 18.09 C +ATOM 198 O LEU A 29 2.674 28.243 130.907 1.00 15.79 O +ATOM 199 CB LEU A 29 3.464 27.414 128.205 1.00 16.15 C +ATOM 200 CG LEU A 29 4.291 27.266 126.909 1.00 15.42 C +ATOM 201 CD1 LEU A 29 3.516 27.743 125.680 1.00 15.91 C +ATOM 202 CD2 LEU A 29 5.582 28.048 127.060 1.00 18.65 C +ATOM 203 N LEU A 30 3.178 26.169 131.587 1.00 18.28 N +ATOM 204 CA LEU A 30 2.332 26.304 132.773 1.00 19.50 C +ATOM 205 C LEU A 30 3.061 27.034 133.903 1.00 20.34 C +ATOM 206 O LEU A 30 3.997 26.509 134.505 1.00 22.29 O +ATOM 207 CB LEU A 30 1.854 24.931 133.250 1.00 19.63 C +ATOM 208 CG LEU A 30 0.977 24.918 134.516 1.00 23.12 C +ATOM 209 CD1 LEU A 30 -0.354 25.624 134.254 1.00 20.51 C +ATOM 210 CD2 LEU A 30 0.706 23.449 134.940 1.00 23.98 C +ATOM 211 N ASN A 30A 2.636 28.263 134.179 1.00 21.36 N +ATOM 212 CA ASN A 30A 3.252 29.051 135.232 1.00 21.12 C +ATOM 213 C ASN A 30A 2.753 28.525 136.585 1.00 22.62 C +ATOM 214 O ASN A 30A 1.560 28.532 136.851 1.00 23.10 O +ATOM 215 CB ASN A 30A 2.893 30.522 135.038 1.00 21.21 C +ATOM 216 CG ASN A 30A 3.578 31.427 136.032 1.00 21.76 C +ATOM 217 OD1 ASN A 30A 3.155 31.538 137.187 1.00 23.73 O +ATOM 218 ND2 ASN A 30A 4.655 32.073 135.594 1.00 18.72 N +ATOM 219 N SER A 30B 3.690 28.079 137.418 1.00 25.62 N +ATOM 220 CA SER A 30B 3.415 27.503 138.740 1.00 28.87 C +ATOM 221 C SER A 30B 2.814 28.456 139.762 1.00 29.67 C +ATOM 222 O SER A 30B 2.103 28.030 140.674 1.00 30.93 O +ATOM 223 CB SER A 30B 4.706 26.926 139.330 1.00 29.85 C +ATOM 224 OG SER A 30B 5.619 27.975 139.625 1.00 34.52 O +ATOM 225 N ARG A 30C 3.112 29.741 139.631 1.00 29.28 N +ATOM 226 CA ARG A 30C 2.601 30.721 140.572 1.00 27.71 C +ATOM 227 C ARG A 30C 1.156 31.101 140.265 1.00 26.56 C +ATOM 228 O ARG A 30C 0.344 31.266 141.171 1.00 27.32 O +ATOM 229 CB ARG A 30C 3.472 31.972 140.541 1.00 29.29 C +ATOM 230 CG ARG A 30C 2.972 33.100 141.448 1.00 32.28 C +ATOM 231 CD ARG A 30C 3.674 34.421 141.126 1.00 35.71 C +ATOM 232 NE ARG A 30C 2.963 35.165 140.085 1.00 38.11 N +ATOM 233 CZ ARG A 30C 3.547 35.872 139.125 1.00 38.64 C +ATOM 234 NH1 ARG A 30C 4.870 35.936 139.058 1.00 40.52 N +ATOM 235 NH2 ARG A 30C 2.806 36.523 138.235 1.00 36.90 N +ATOM 236 N THR A 30D 0.822 31.226 138.987 1.00 24.55 N +ATOM 237 CA THR A 30D -0.533 31.621 138.618 1.00 24.22 C +ATOM 238 C THR A 30D -1.388 30.457 138.140 1.00 22.86 C +ATOM 239 O THR A 30D -2.589 30.600 137.962 1.00 21.64 O +ATOM 240 CB THR A 30D -0.500 32.680 137.531 1.00 25.02 C +ATOM 241 OG1 THR A 30D -0.037 32.086 136.315 1.00 26.94 O +ATOM 242 CG2 THR A 30D 0.449 33.813 137.928 1.00 25.41 C +ATOM 243 N ARG A 30E -0.758 29.313 137.916 1.00 23.11 N +ATOM 244 CA ARG A 30E -1.466 28.110 137.479 1.00 25.08 C +ATOM 245 C ARG A 30E -2.183 28.241 136.133 1.00 25.24 C +ATOM 246 O ARG A 30E -3.256 27.651 135.917 1.00 26.20 O +ATOM 247 CB ARG A 30E -2.464 27.673 138.562 1.00 26.28 C +ATOM 248 CG ARG A 30E -1.816 27.376 139.913 1.00 28.34 C +ATOM 249 CD ARG A 30E -2.866 27.050 140.966 1.00 29.25 C +ATOM 250 NE ARG A 30E -3.801 28.152 141.162 1.00 31.11 N +ATOM 251 CZ ARG A 30E -3.532 29.263 141.847 1.00 31.98 C +ATOM 252 NH1 ARG A 30E -2.348 29.436 142.420 1.00 30.62 N +ATOM 253 NH2 ARG A 30E -4.454 30.212 141.950 1.00 33.43 N +ATOM 254 N LYS A 30F -1.591 29.019 135.231 1.00 23.85 N +ATOM 255 CA LYS A 30F -2.152 29.213 133.899 1.00 21.36 C +ATOM 256 C LYS A 30F -1.067 29.007 132.870 1.00 19.87 C +ATOM 257 O LYS A 30F 0.115 29.188 133.162 1.00 16.73 O +ATOM 258 CB LYS A 30F -2.749 30.607 133.746 1.00 24.08 C +ATOM 259 CG LYS A 30F -4.054 30.778 134.502 1.00 27.95 C +ATOM 260 CD LYS A 30F -4.637 32.149 134.316 1.00 31.38 C +ATOM 261 CE LYS A 30F -6.045 32.183 134.863 1.00 33.51 C +ATOM 262 NZ LYS A 30F -6.732 33.447 134.505 1.00 38.19 N +ATOM 263 N ASN A 31 -1.486 28.584 131.682 1.00 18.60 N +ATOM 264 CA ASN A 31 -0.571 28.348 130.581 1.00 16.70 C +ATOM 265 C ASN A 31 -0.465 29.650 129.791 1.00 15.57 C +ATOM 266 O ASN A 31 -1.479 30.196 129.353 1.00 16.26 O +ATOM 267 CB ASN A 31 -1.112 27.225 129.699 1.00 18.03 C +ATOM 268 CG ASN A 31 -1.076 25.872 130.391 1.00 16.06 C +ATOM 269 OD1 ASN A 31 -2.098 25.376 130.876 1.00 22.61 O +ATOM 270 ND2 ASN A 31 0.105 25.274 130.445 1.00 18.53 N +ATOM 271 N TYR A 32 0.752 30.172 129.643 1.00 14.82 N +ATOM 272 CA TYR A 32 0.929 31.438 128.925 1.00 16.23 C +ATOM 273 C TYR A 32 1.051 31.165 127.435 1.00 15.16 C +ATOM 274 O TYR A 32 2.127 31.276 126.843 1.00 13.93 O +ATOM 275 CB TYR A 32 2.163 32.182 129.439 1.00 17.23 C +ATOM 276 CG TYR A 32 2.034 32.666 130.876 1.00 19.99 C +ATOM 277 CD1 TYR A 32 3.040 33.440 131.470 1.00 18.73 C +ATOM 278 CD2 TYR A 32 0.917 32.320 131.657 1.00 18.54 C +ATOM 279 CE1 TYR A 32 2.936 33.850 132.815 1.00 19.45 C +ATOM 280 CE2 TYR A 32 0.815 32.724 133.002 1.00 19.30 C +ATOM 281 CZ TYR A 32 1.833 33.485 133.566 1.00 20.34 C +ATOM 282 OH TYR A 32 1.767 33.845 134.897 1.00 18.77 O +ATOM 283 N LEU A 33 -0.081 30.815 126.837 1.00 13.71 N +ATOM 284 CA LEU A 33 -0.134 30.467 125.424 1.00 13.89 C +ATOM 285 C LEU A 33 -1.360 31.130 124.826 1.00 14.51 C +ATOM 286 O LEU A 33 -2.481 30.967 125.336 1.00 12.95 O +ATOM 287 CB LEU A 33 -0.204 28.923 125.286 1.00 13.56 C +ATOM 288 CG LEU A 33 -0.110 28.252 123.899 1.00 15.22 C +ATOM 289 CD1 LEU A 33 -1.440 28.410 123.161 1.00 14.70 C +ATOM 290 CD2 LEU A 33 1.046 28.849 123.066 1.00 15.23 C +ATOM 291 N ALA A 34 -1.132 31.906 123.759 1.00 13.55 N +ATOM 292 CA ALA A 34 -2.202 32.610 123.073 1.00 12.91 C +ATOM 293 C ALA A 34 -2.223 32.230 121.608 1.00 11.14 C +ATOM 294 O ALA A 34 -1.211 31.802 121.039 1.00 13.68 O +ATOM 295 CB ALA A 34 -2.010 34.130 123.190 1.00 12.87 C +ATOM 296 N TRP A 35 -3.397 32.408 121.013 1.00 12.71 N +ATOM 297 CA TRP A 35 -3.619 32.133 119.589 1.00 12.90 C +ATOM 298 C TRP A 35 -4.049 33.423 118.892 1.00 13.11 C +ATOM 299 O TRP A 35 -4.869 34.194 119.425 1.00 13.10 O +ATOM 300 CB TRP A 35 -4.732 31.103 119.390 1.00 15.25 C +ATOM 301 CG TRP A 35 -4.381 29.707 119.810 1.00 14.17 C +ATOM 302 CD1 TRP A 35 -4.599 29.126 121.042 1.00 16.10 C +ATOM 303 CD2 TRP A 35 -3.782 28.694 118.990 1.00 15.04 C +ATOM 304 NE1 TRP A 35 -4.173 27.814 121.024 1.00 13.33 N +ATOM 305 CE2 TRP A 35 -3.668 27.524 119.784 1.00 13.43 C +ATOM 306 CE3 TRP A 35 -3.329 28.661 117.662 1.00 13.29 C +ATOM 307 CZ2 TRP A 35 -3.120 26.331 119.292 1.00 14.28 C +ATOM 308 CZ3 TRP A 35 -2.788 27.485 117.170 1.00 14.38 C +ATOM 309 CH2 TRP A 35 -2.688 26.332 117.987 1.00 15.44 C +ATOM 310 N TYR A 36 -3.505 33.660 117.699 1.00 11.39 N +ATOM 311 CA TYR A 36 -3.857 34.847 116.922 1.00 12.86 C +ATOM 312 C TYR A 36 -4.290 34.414 115.522 1.00 13.09 C +ATOM 313 O TYR A 36 -3.816 33.407 114.996 1.00 14.51 O +ATOM 314 CB TYR A 36 -2.666 35.794 116.799 1.00 13.34 C +ATOM 315 CG TYR A 36 -2.198 36.294 118.133 1.00 12.92 C +ATOM 316 CD1 TYR A 36 -1.326 35.541 118.903 1.00 12.63 C +ATOM 317 CD2 TYR A 36 -2.692 37.491 118.652 1.00 12.94 C +ATOM 318 CE1 TYR A 36 -0.950 35.968 120.187 1.00 14.09 C +ATOM 319 CE2 TYR A 36 -2.327 37.919 119.920 1.00 13.41 C +ATOM 320 CZ TYR A 36 -1.461 37.154 120.676 1.00 13.12 C +ATOM 321 OH TYR A 36 -1.083 37.568 121.932 1.00 13.41 O +ATOM 322 N GLN A 37 -5.186 35.191 114.927 1.00 13.12 N +ATOM 323 CA GLN A 37 -5.680 34.912 113.591 1.00 14.18 C +ATOM 324 C GLN A 37 -5.204 36.036 112.668 1.00 13.35 C +ATOM 325 O GLN A 37 -5.367 37.209 112.985 1.00 13.39 O +ATOM 326 CB GLN A 37 -7.208 34.853 113.627 1.00 14.40 C +ATOM 327 CG GLN A 37 -7.900 34.732 112.265 1.00 13.80 C +ATOM 328 CD GLN A 37 -9.384 35.016 112.388 1.00 15.37 C +ATOM 329 OE1 GLN A 37 -9.776 36.102 112.803 1.00 16.25 O +ATOM 330 NE2 GLN A 37 -10.216 34.041 112.030 1.00 14.94 N +ATOM 331 N GLN A 38 -4.556 35.679 111.562 1.00 13.26 N +ATOM 332 CA GLN A 38 -4.116 36.689 110.604 1.00 13.43 C +ATOM 333 C GLN A 38 -4.773 36.430 109.244 1.00 15.55 C +ATOM 334 O GLN A 38 -4.361 35.554 108.476 1.00 15.04 O +ATOM 335 CB GLN A 38 -2.589 36.705 110.448 1.00 14.16 C +ATOM 336 CG GLN A 38 -2.131 37.823 109.489 1.00 16.79 C +ATOM 337 CD GLN A 38 -0.637 38.056 109.523 1.00 14.14 C +ATOM 338 OE1 GLN A 38 0.157 37.103 109.545 1.00 15.60 O +ATOM 339 NE2 GLN A 38 -0.237 39.323 109.518 1.00 14.23 N +ATOM 340 N LYS A 39 -5.815 37.194 108.956 1.00 16.87 N +ATOM 341 CA LYS A 39 -6.521 37.057 107.690 1.00 18.32 C +ATOM 342 C LYS A 39 -5.671 37.703 106.593 1.00 19.70 C +ATOM 343 O LYS A 39 -4.795 38.535 106.863 1.00 19.72 O +ATOM 344 CB LYS A 39 -7.894 37.728 107.790 1.00 18.90 C +ATOM 345 CG LYS A 39 -8.860 36.978 108.701 1.00 19.60 C +ATOM 346 CD LYS A 39 -10.205 37.664 108.773 1.00 19.17 C +ATOM 347 CE LYS A 39 -11.138 36.911 109.701 1.00 21.97 C +ATOM 348 NZ LYS A 39 -12.514 37.452 109.623 1.00 26.53 N +ATOM 349 N PRO A 40 -5.909 37.312 105.338 1.00 19.56 N +ATOM 350 CA PRO A 40 -5.148 37.864 104.215 1.00 20.34 C +ATOM 351 C PRO A 40 -5.130 39.383 104.201 1.00 19.10 C +ATOM 352 O PRO A 40 -6.176 40.005 104.242 1.00 19.21 O +ATOM 353 CB PRO A 40 -5.867 37.285 102.993 1.00 18.77 C +ATOM 354 CG PRO A 40 -6.380 35.966 103.493 1.00 19.60 C +ATOM 355 CD PRO A 40 -6.904 36.329 104.876 1.00 20.42 C +ATOM 356 N GLY A 41 -3.938 39.973 104.159 1.00 19.07 N +ATOM 357 CA GLY A 41 -3.819 41.416 104.100 1.00 20.28 C +ATOM 358 C GLY A 41 -4.082 42.166 105.393 1.00 20.18 C +ATOM 359 O GLY A 41 -4.127 43.398 105.408 1.00 20.72 O +ATOM 360 N GLN A 42 -4.237 41.442 106.492 1.00 18.38 N +ATOM 361 CA GLN A 42 -4.528 42.099 107.758 1.00 17.64 C +ATOM 362 C GLN A 42 -3.469 41.842 108.814 1.00 16.80 C +ATOM 363 O GLN A 42 -2.588 40.991 108.647 1.00 16.76 O +ATOM 364 CB GLN A 42 -5.872 41.607 108.315 1.00 18.03 C +ATOM 365 CG GLN A 42 -7.057 41.748 107.375 1.00 22.56 C +ATOM 366 CD GLN A 42 -8.406 41.478 108.053 1.00 24.62 C +ATOM 367 OE1 GLN A 42 -9.456 41.684 107.440 1.00 28.86 O +ATOM 368 NE2 GLN A 42 -8.384 41.019 109.317 1.00 23.46 N +ATOM 369 N SER A 43 -3.577 42.578 109.914 1.00 16.12 N +ATOM 370 CA SER A 43 -2.666 42.394 111.036 1.00 15.97 C +ATOM 371 C SER A 43 -3.239 41.251 111.850 1.00 14.59 C +ATOM 372 O SER A 43 -4.403 40.888 111.692 1.00 15.77 O +ATOM 373 CB SER A 43 -2.626 43.651 111.891 1.00 16.61 C +ATOM 374 OG SER A 43 -2.194 44.761 111.107 1.00 19.34 O +ATOM 375 N PRO A 44 -2.410 40.628 112.688 1.00 13.86 N +ATOM 376 CA PRO A 44 -2.893 39.523 113.523 1.00 14.30 C +ATOM 377 C PRO A 44 -3.964 40.040 114.498 1.00 15.57 C +ATOM 378 O PRO A 44 -3.970 41.219 114.884 1.00 14.23 O +ATOM 379 CB PRO A 44 -1.638 39.081 114.276 1.00 13.45 C +ATOM 380 CG PRO A 44 -0.528 39.430 113.309 1.00 14.54 C +ATOM 381 CD PRO A 44 -0.943 40.766 112.763 1.00 13.47 C +ATOM 382 N LYS A 45 -4.853 39.150 114.902 1.00 16.39 N +ATOM 383 CA LYS A 45 -5.909 39.512 115.843 1.00 17.02 C +ATOM 384 C LYS A 45 -5.975 38.456 116.922 1.00 15.72 C +ATOM 385 O LYS A 45 -5.982 37.258 116.627 1.00 15.08 O +ATOM 386 CB LYS A 45 -7.266 39.584 115.140 1.00 20.62 C +ATOM 387 CG LYS A 45 -8.415 39.862 116.097 1.00 27.13 C +ATOM 388 CD LYS A 45 -9.760 39.420 115.517 1.00 31.02 C +ATOM 389 CE LYS A 45 -10.894 39.656 116.515 1.00 34.56 C +ATOM 390 NZ LYS A 45 -12.224 39.330 115.926 1.00 38.55 N +ATOM 391 N LEU A 46 -6.031 38.901 118.173 1.00 14.64 N +ATOM 392 CA LEU A 46 -6.099 37.994 119.313 1.00 12.93 C +ATOM 393 C LEU A 46 -7.384 37.166 119.324 1.00 14.64 C +ATOM 394 O LEU A 46 -8.481 37.727 119.228 1.00 14.73 O +ATOM 395 CB LEU A 46 -6.013 38.809 120.624 1.00 12.22 C +ATOM 396 CG LEU A 46 -6.232 38.060 121.939 1.00 13.32 C +ATOM 397 CD1 LEU A 46 -5.095 37.029 122.136 1.00 12.92 C +ATOM 398 CD2 LEU A 46 -6.253 39.058 123.109 1.00 13.36 C +ATOM 399 N LEU A 47 -7.253 35.847 119.454 1.00 13.25 N +ATOM 400 CA LEU A 47 -8.436 34.983 119.534 1.00 15.07 C +ATOM 401 C LEU A 47 -8.599 34.378 120.922 1.00 14.77 C +ATOM 402 O LEU A 47 -9.642 34.526 121.566 1.00 15.78 O +ATOM 403 CB LEU A 47 -8.364 33.814 118.540 1.00 15.88 C +ATOM 404 CG LEU A 47 -8.466 34.073 117.044 1.00 18.45 C +ATOM 405 CD1 LEU A 47 -8.768 32.746 116.341 1.00 19.69 C +ATOM 406 CD2 LEU A 47 -9.579 35.080 116.769 1.00 22.60 C +ATOM 407 N ILE A 48 -7.554 33.704 121.385 1.00 16.65 N +ATOM 408 CA ILE A 48 -7.586 32.995 122.671 1.00 16.67 C +ATOM 409 C ILE A 48 -6.306 33.282 123.456 1.00 16.36 C +ATOM 410 O ILE A 48 -5.255 33.478 122.840 1.00 17.54 O +ATOM 411 CB ILE A 48 -7.580 31.440 122.426 1.00 17.87 C +ATOM 412 CG1 ILE A 48 -8.665 31.025 121.426 1.00 17.60 C +ATOM 413 CG2 ILE A 48 -7.712 30.686 123.763 1.00 16.73 C +ATOM 414 CD1 ILE A 48 -10.065 31.141 121.950 1.00 19.20 C +ATOM 415 N TYR A 49 -6.384 33.310 124.792 1.00 15.58 N +ATOM 416 CA TYR A 49 -5.177 33.475 125.624 1.00 14.77 C +ATOM 417 C TYR A 49 -5.303 32.631 126.889 1.00 16.25 C +ATOM 418 O TYR A 49 -6.378 32.132 127.184 1.00 14.51 O +ATOM 419 CB TYR A 49 -4.892 34.946 125.975 1.00 15.42 C +ATOM 420 CG TYR A 49 -5.996 35.614 126.751 1.00 17.89 C +ATOM 421 CD1 TYR A 49 -7.115 36.150 126.102 1.00 15.08 C +ATOM 422 CD2 TYR A 49 -5.932 35.701 128.140 1.00 17.58 C +ATOM 423 CE1 TYR A 49 -8.150 36.766 126.833 1.00 18.29 C +ATOM 424 CE2 TYR A 49 -6.953 36.302 128.870 1.00 16.22 C +ATOM 425 CZ TYR A 49 -8.052 36.830 128.220 1.00 19.81 C +ATOM 426 OH TYR A 49 -9.054 37.415 128.968 1.00 20.25 O +ATOM 427 N TRP A 50 -4.215 32.487 127.643 1.00 15.47 N +ATOM 428 CA TRP A 50 -4.217 31.610 128.814 1.00 16.51 C +ATOM 429 C TRP A 50 -4.710 30.222 128.332 1.00 16.93 C +ATOM 430 O TRP A 50 -5.383 29.489 129.072 1.00 17.27 O +ATOM 431 CB TRP A 50 -5.144 32.133 129.920 1.00 18.26 C +ATOM 432 CG TRP A 50 -4.575 33.262 130.737 1.00 20.47 C +ATOM 433 CD1 TRP A 50 -3.257 33.509 131.005 1.00 20.19 C +ATOM 434 CD2 TRP A 50 -5.320 34.253 131.448 1.00 20.29 C +ATOM 435 NE1 TRP A 50 -3.139 34.596 131.845 1.00 20.88 N +ATOM 436 CE2 TRP A 50 -4.392 35.071 132.125 1.00 21.16 C +ATOM 437 CE3 TRP A 50 -6.685 34.526 131.579 1.00 21.70 C +ATOM 438 CZ2 TRP A 50 -4.782 36.153 132.921 1.00 21.21 C +ATOM 439 CZ3 TRP A 50 -7.080 35.613 132.380 1.00 24.22 C +ATOM 440 CH2 TRP A 50 -6.129 36.403 133.033 1.00 23.43 C +ATOM 441 N ALA A 51 -4.346 29.887 127.089 1.00 15.53 N +ATOM 442 CA ALA A 51 -4.681 28.624 126.405 1.00 14.79 C +ATOM 443 C ALA A 51 -6.154 28.382 126.084 1.00 14.22 C +ATOM 444 O ALA A 51 -6.484 27.856 125.017 1.00 12.98 O +ATOM 445 CB ALA A 51 -4.121 27.416 127.187 1.00 13.18 C +ATOM 446 N SER A 52 -7.059 28.784 126.965 1.00 15.59 N +ATOM 447 CA SER A 52 -8.465 28.506 126.694 1.00 16.57 C +ATOM 448 C SER A 52 -9.463 29.636 126.892 1.00 17.55 C +ATOM 449 O SER A 52 -10.670 29.424 126.730 1.00 19.82 O +ATOM 450 CB SER A 52 -8.908 27.311 127.541 1.00 18.87 C +ATOM 451 OG SER A 52 -8.925 27.678 128.910 1.00 19.20 O +ATOM 452 N THR A 53 -8.996 30.831 127.229 1.00 17.28 N +ATOM 453 CA THR A 53 -9.932 31.928 127.410 1.00 18.09 C +ATOM 454 C THR A 53 -10.178 32.627 126.084 1.00 18.65 C +ATOM 455 O THR A 53 -9.255 33.112 125.420 1.00 18.74 O +ATOM 456 CB THR A 53 -9.434 32.915 128.487 1.00 19.31 C +ATOM 457 OG1 THR A 53 -9.348 32.231 129.752 1.00 19.76 O +ATOM 458 CG2 THR A 53 -10.390 34.071 128.617 1.00 20.22 C +ATOM 459 N ARG A 54 -11.440 32.654 125.674 1.00 18.55 N +ATOM 460 CA ARG A 54 -11.819 33.257 124.409 1.00 19.58 C +ATOM 461 C ARG A 54 -11.997 34.752 124.602 1.00 20.63 C +ATOM 462 O ARG A 54 -12.764 35.187 125.458 1.00 19.24 O +ATOM 463 CB ARG A 54 -13.121 32.605 123.919 1.00 21.45 C +ATOM 464 CG ARG A 54 -13.739 33.208 122.698 1.00 25.61 C +ATOM 465 CD ARG A 54 -15.034 32.460 122.342 1.00 24.93 C +ATOM 466 NE ARG A 54 -14.821 31.019 122.207 1.00 27.82 N +ATOM 467 CZ ARG A 54 -15.216 30.111 123.096 1.00 29.63 C +ATOM 468 NH1 ARG A 54 -14.982 28.820 122.886 1.00 29.10 N +ATOM 469 NH2 ARG A 54 -15.848 30.496 124.204 1.00 32.70 N +ATOM 470 N GLU A 55 -11.275 35.548 123.826 1.00 20.98 N +ATOM 471 CA GLU A 55 -11.395 36.992 123.968 1.00 20.62 C +ATOM 472 C GLU A 55 -12.792 37.486 123.620 1.00 22.09 C +ATOM 473 O GLU A 55 -13.464 36.932 122.757 1.00 20.50 O +ATOM 474 CB GLU A 55 -10.372 37.700 123.090 1.00 22.55 C +ATOM 475 CG GLU A 55 -10.323 39.212 123.311 1.00 24.98 C +ATOM 476 CD GLU A 55 -10.170 39.587 124.793 1.00 25.79 C +ATOM 477 OE1 GLU A 55 -11.191 39.748 125.511 1.00 26.26 O +ATOM 478 OE2 GLU A 55 -9.023 39.708 125.253 1.00 28.81 O +ATOM 479 N SER A 56 -13.242 38.537 124.292 1.00 22.60 N +ATOM 480 CA SER A 56 -14.569 39.053 123.980 1.00 22.81 C +ATOM 481 C SER A 56 -14.666 39.467 122.513 1.00 22.46 C +ATOM 482 O SER A 56 -13.730 40.049 121.955 1.00 20.67 O +ATOM 483 CB SER A 56 -14.902 40.247 124.881 1.00 23.80 C +ATOM 484 OG SER A 56 -15.139 39.801 126.201 1.00 26.91 O +ATOM 485 N GLY A 57 -15.793 39.140 121.887 1.00 20.99 N +ATOM 486 CA GLY A 57 -16.003 39.501 120.494 1.00 22.02 C +ATOM 487 C GLY A 57 -15.625 38.396 119.515 1.00 23.42 C +ATOM 488 O GLY A 57 -15.926 38.501 118.322 1.00 23.36 O +ATOM 489 N VAL A 58 -14.968 37.352 120.023 1.00 22.02 N +ATOM 490 CA VAL A 58 -14.551 36.205 119.215 1.00 22.87 C +ATOM 491 C VAL A 58 -15.618 35.126 119.231 1.00 22.54 C +ATOM 492 O VAL A 58 -16.008 34.645 120.290 1.00 23.26 O +ATOM 493 CB VAL A 58 -13.243 35.576 119.747 1.00 20.73 C +ATOM 494 CG1 VAL A 58 -12.926 34.293 118.978 1.00 21.74 C +ATOM 495 CG2 VAL A 58 -12.105 36.583 119.613 1.00 21.11 C +ATOM 496 N PRO A 59 -16.073 34.704 118.044 1.00 23.80 N +ATOM 497 CA PRO A 59 -17.106 33.676 117.884 1.00 24.51 C +ATOM 498 C PRO A 59 -16.890 32.444 118.751 1.00 25.57 C +ATOM 499 O PRO A 59 -15.756 32.022 118.970 1.00 26.30 O +ATOM 500 CB PRO A 59 -17.031 33.358 116.395 1.00 23.95 C +ATOM 501 CG PRO A 59 -16.647 34.679 115.793 1.00 24.16 C +ATOM 502 CD PRO A 59 -15.541 35.121 116.734 1.00 23.60 C +ATOM 503 N ASP A 60 -17.982 31.847 119.222 1.00 26.78 N +ATOM 504 CA ASP A 60 -17.880 30.663 120.066 1.00 27.76 C +ATOM 505 C ASP A 60 -17.338 29.428 119.345 1.00 25.84 C +ATOM 506 O ASP A 60 -16.891 28.481 119.991 1.00 26.08 O +ATOM 507 CB ASP A 60 -19.229 30.338 120.717 1.00 33.27 C +ATOM 508 CG ASP A 60 -20.311 29.988 119.708 1.00 38.63 C +ATOM 509 OD1 ASP A 60 -21.435 29.677 120.160 1.00 42.42 O +ATOM 510 OD2 ASP A 60 -20.055 30.026 118.477 1.00 40.83 O +ATOM 511 N ARG A 61 -17.347 29.437 118.019 1.00 23.25 N +ATOM 512 CA ARG A 61 -16.820 28.281 117.288 1.00 22.56 C +ATOM 513 C ARG A 61 -15.300 28.113 117.439 1.00 22.94 C +ATOM 514 O ARG A 61 -14.739 27.078 117.048 1.00 21.99 O +ATOM 515 CB ARG A 61 -17.224 28.351 115.814 1.00 23.46 C +ATOM 516 CG ARG A 61 -16.733 29.540 115.048 1.00 25.18 C +ATOM 517 CD ARG A 61 -17.176 29.418 113.585 1.00 25.56 C +ATOM 518 NE ARG A 61 -16.599 30.457 112.747 1.00 26.89 N +ATOM 519 CZ ARG A 61 -17.025 31.711 112.717 1.00 27.25 C +ATOM 520 NH1 ARG A 61 -16.431 32.600 111.926 1.00 26.53 N +ATOM 521 NH2 ARG A 61 -18.061 32.071 113.470 1.00 30.22 N +ATOM 522 N PHE A 62 -14.628 29.112 118.005 1.00 22.12 N +ATOM 523 CA PHE A 62 -13.186 28.983 118.240 1.00 21.64 C +ATOM 524 C PHE A 62 -12.968 28.557 119.693 1.00 22.21 C +ATOM 525 O PHE A 62 -13.434 29.226 120.614 1.00 22.81 O +ATOM 526 CB PHE A 62 -12.442 30.301 117.979 1.00 20.64 C +ATOM 527 CG PHE A 62 -12.499 30.772 116.549 1.00 21.16 C +ATOM 528 CD1 PHE A 62 -13.563 31.571 116.101 1.00 20.97 C +ATOM 529 CD2 PHE A 62 -11.494 30.431 115.651 1.00 19.90 C +ATOM 530 CE1 PHE A 62 -13.624 32.025 114.779 1.00 21.08 C +ATOM 531 CE2 PHE A 62 -11.539 30.878 114.312 1.00 19.20 C +ATOM 532 CZ PHE A 62 -12.607 31.676 113.878 1.00 19.57 C +ATOM 533 N THR A 63 -12.268 27.445 119.898 1.00 21.77 N +ATOM 534 CA THR A 63 -11.985 26.940 121.243 1.00 21.04 C +ATOM 535 C THR A 63 -10.535 26.518 121.359 1.00 20.83 C +ATOM 536 O THR A 63 -10.030 25.747 120.526 1.00 19.66 O +ATOM 537 CB THR A 63 -12.878 25.716 121.583 1.00 22.89 C +ATOM 538 OG1 THR A 63 -14.254 26.105 121.488 1.00 23.79 O +ATOM 539 CG2 THR A 63 -12.603 25.205 123.003 1.00 22.58 C +ATOM 540 N GLY A 64 -9.858 27.034 122.376 1.00 19.67 N +ATOM 541 CA GLY A 64 -8.472 26.664 122.596 1.00 19.23 C +ATOM 542 C GLY A 64 -8.447 25.663 123.740 1.00 20.15 C +ATOM 543 O GLY A 64 -9.285 25.738 124.641 1.00 19.90 O +ATOM 544 N SER A 65 -7.525 24.707 123.707 1.00 19.06 N +ATOM 545 CA SER A 65 -7.427 23.735 124.789 1.00 17.78 C +ATOM 546 C SER A 65 -5.977 23.267 124.886 1.00 17.33 C +ATOM 547 O SER A 65 -5.131 23.696 124.099 1.00 16.18 O +ATOM 548 CB SER A 65 -8.376 22.542 124.552 1.00 18.77 C +ATOM 549 OG SER A 65 -8.125 21.889 123.322 1.00 18.14 O +ATOM 550 N GLY A 66 -5.700 22.391 125.845 1.00 15.67 N +ATOM 551 CA GLY A 66 -4.351 21.895 126.014 1.00 16.65 C +ATOM 552 C GLY A 66 -3.714 22.440 127.266 1.00 18.29 C +ATOM 553 O GLY A 66 -4.311 23.236 127.976 1.00 20.45 O +ATOM 554 N SER A 67 -2.491 22.013 127.545 1.00 18.02 N +ATOM 555 CA SER A 67 -1.800 22.470 128.731 1.00 17.82 C +ATOM 556 C SER A 67 -0.368 21.992 128.666 1.00 17.66 C +ATOM 557 O SER A 67 -0.063 21.040 127.940 1.00 18.29 O +ATOM 558 CB SER A 67 -2.469 21.881 129.969 1.00 18.47 C +ATOM 559 OG SER A 67 -1.964 22.502 131.141 1.00 25.26 O +ATOM 560 N GLY A 68 0.510 22.658 129.401 1.00 15.82 N +ATOM 561 CA GLY A 68 1.897 22.227 129.439 1.00 13.71 C +ATOM 562 C GLY A 68 2.678 22.464 128.155 1.00 16.25 C +ATOM 563 O GLY A 68 3.021 23.600 127.857 1.00 16.16 O +ATOM 564 N THR A 69 2.970 21.412 127.389 1.00 17.60 N +ATOM 565 CA THR A 69 3.731 21.598 126.150 1.00 18.56 C +ATOM 566 C THR A 69 2.904 21.424 124.888 1.00 18.66 C +ATOM 567 O THR A 69 3.416 21.620 123.791 1.00 16.45 O +ATOM 568 CB THR A 69 4.894 20.594 126.021 1.00 21.62 C +ATOM 569 OG1 THR A 69 4.377 19.258 126.062 1.00 23.70 O +ATOM 570 CG2 THR A 69 5.896 20.775 127.136 1.00 21.69 C +ATOM 571 N ASP A 70 1.636 21.067 125.033 1.00 16.02 N +ATOM 572 CA ASP A 70 0.818 20.821 123.841 1.00 16.97 C +ATOM 573 C ASP A 70 -0.524 21.523 123.878 1.00 16.45 C +ATOM 574 O ASP A 70 -1.288 21.379 124.833 1.00 17.57 O +ATOM 575 CB ASP A 70 0.623 19.310 123.669 1.00 16.28 C +ATOM 576 CG ASP A 70 1.925 18.594 123.370 1.00 18.25 C +ATOM 577 OD1 ASP A 70 2.367 18.624 122.202 1.00 17.35 O +ATOM 578 OD2 ASP A 70 2.521 18.012 124.301 1.00 21.50 O +ATOM 579 N PHE A 71 -0.820 22.261 122.809 1.00 15.33 N +ATOM 580 CA PHE A 71 -2.055 23.030 122.718 1.00 15.73 C +ATOM 581 C PHE A 71 -2.792 22.794 121.418 1.00 15.94 C +ATOM 582 O PHE A 71 -2.199 22.373 120.422 1.00 15.64 O +ATOM 583 CB PHE A 71 -1.700 24.511 122.884 1.00 14.45 C +ATOM 584 CG PHE A 71 -1.001 24.784 124.184 1.00 13.66 C +ATOM 585 CD1 PHE A 71 0.367 24.575 124.314 1.00 13.80 C +ATOM 586 CD2 PHE A 71 -1.738 25.122 125.314 1.00 14.32 C +ATOM 587 CE1 PHE A 71 0.993 24.696 125.560 1.00 15.54 C +ATOM 588 CE2 PHE A 71 -1.133 25.244 126.558 1.00 17.16 C +ATOM 589 CZ PHE A 71 0.241 25.032 126.685 1.00 14.62 C +ATOM 590 N THR A 72 -4.082 23.098 121.423 1.00 18.46 N +ATOM 591 CA THR A 72 -4.919 22.889 120.246 1.00 16.52 C +ATOM 592 C THR A 72 -5.934 24.012 120.041 1.00 17.00 C +ATOM 593 O THR A 72 -6.508 24.546 121.011 1.00 17.30 O +ATOM 594 CB THR A 72 -5.710 21.562 120.385 1.00 18.42 C +ATOM 595 OG1 THR A 72 -4.795 20.474 120.522 1.00 18.38 O +ATOM 596 CG2 THR A 72 -6.597 21.317 119.157 1.00 18.70 C +ATOM 597 N LEU A 73 -6.132 24.399 118.787 1.00 14.78 N +ATOM 598 CA LEU A 73 -7.153 25.387 118.474 1.00 16.01 C +ATOM 599 C LEU A 73 -8.115 24.626 117.593 1.00 17.93 C +ATOM 600 O LEU A 73 -7.706 24.054 116.570 1.00 17.02 O +ATOM 601 CB LEU A 73 -6.606 26.582 117.705 1.00 14.09 C +ATOM 602 CG LEU A 73 -7.659 27.578 117.203 1.00 13.15 C +ATOM 603 CD1 LEU A 73 -8.357 28.214 118.420 1.00 18.76 C +ATOM 604 CD2 LEU A 73 -7.013 28.666 116.375 1.00 14.30 C +ATOM 605 N THR A 74 -9.380 24.587 117.999 1.00 16.72 N +ATOM 606 CA THR A 74 -10.386 23.885 117.219 1.00 17.59 C +ATOM 607 C THR A 74 -11.383 24.916 116.736 1.00 17.92 C +ATOM 608 O THR A 74 -11.745 25.825 117.482 1.00 18.34 O +ATOM 609 CB THR A 74 -11.168 22.836 118.063 1.00 18.35 C +ATOM 610 OG1 THR A 74 -10.262 21.913 118.661 1.00 20.13 O +ATOM 611 CG2 THR A 74 -12.142 22.045 117.169 1.00 20.05 C +ATOM 612 N ILE A 75 -11.797 24.798 115.477 1.00 16.61 N +ATOM 613 CA ILE A 75 -12.800 25.687 114.930 1.00 17.99 C +ATOM 614 C ILE A 75 -13.947 24.794 114.487 1.00 20.28 C +ATOM 615 O ILE A 75 -13.774 23.929 113.623 1.00 22.15 O +ATOM 616 CB ILE A 75 -12.294 26.453 113.709 1.00 18.70 C +ATOM 617 CG1 ILE A 75 -10.976 27.172 114.061 1.00 19.74 C +ATOM 618 CG2 ILE A 75 -13.373 27.457 113.248 1.00 18.52 C +ATOM 619 CD1 ILE A 75 -10.425 28.032 112.928 1.00 21.86 C +ATOM 620 N THR A 76 -15.119 24.966 115.080 1.00 20.62 N +ATOM 621 CA THR A 76 -16.247 24.138 114.654 1.00 20.52 C +ATOM 622 C THR A 76 -17.038 24.936 113.621 1.00 19.96 C +ATOM 623 O THR A 76 -16.941 26.159 113.579 1.00 20.17 O +ATOM 624 CB THR A 76 -17.158 23.753 115.856 1.00 20.56 C +ATOM 625 OG1 THR A 76 -17.600 24.944 116.521 1.00 21.15 O +ATOM 626 CG2 THR A 76 -16.403 22.849 116.837 1.00 22.02 C +ATOM 627 N SER A 77 -17.799 24.253 112.767 1.00 22.12 N +ATOM 628 CA SER A 77 -18.609 24.943 111.760 1.00 22.81 C +ATOM 629 C SER A 77 -17.848 26.075 111.067 1.00 22.53 C +ATOM 630 O SER A 77 -18.300 27.233 111.045 1.00 21.22 O +ATOM 631 CB SER A 77 -19.853 25.536 112.408 1.00 24.15 C +ATOM 632 OG SER A 77 -20.626 24.524 113.008 1.00 28.57 O +ATOM 633 N VAL A 78 -16.704 25.736 110.485 1.00 21.09 N +ATOM 634 CA VAL A 78 -15.883 26.749 109.809 1.00 21.37 C +ATOM 635 C VAL A 78 -16.684 27.561 108.799 1.00 19.69 C +ATOM 636 O VAL A 78 -17.538 27.018 108.115 1.00 19.88 O +ATOM 637 CB VAL A 78 -14.688 26.068 109.090 1.00 20.96 C +ATOM 638 CG1 VAL A 78 -13.885 27.086 108.271 1.00 22.48 C +ATOM 639 CG2 VAL A 78 -13.806 25.446 110.116 1.00 23.60 C +ATOM 640 N GLN A 79 -16.415 28.861 108.724 1.00 20.29 N +ATOM 641 CA GLN A 79 -17.096 29.737 107.778 1.00 20.65 C +ATOM 642 C GLN A 79 -16.065 30.237 106.782 1.00 20.13 C +ATOM 643 O GLN A 79 -14.870 30.194 107.042 1.00 18.91 O +ATOM 644 CB GLN A 79 -17.765 30.910 108.497 1.00 22.39 C +ATOM 645 CG GLN A 79 -18.864 30.461 109.436 1.00 28.33 C +ATOM 646 CD GLN A 79 -19.602 31.620 110.078 1.00 33.08 C +ATOM 647 OE1 GLN A 79 -20.168 31.477 111.169 1.00 34.60 O +ATOM 648 NE2 GLN A 79 -19.615 32.776 109.402 1.00 35.35 N +ATOM 649 N ALA A 80 -16.517 30.706 105.636 1.00 19.61 N +ATOM 650 CA ALA A 80 -15.575 31.180 104.639 1.00 19.87 C +ATOM 651 C ALA A 80 -14.649 32.273 105.194 1.00 19.22 C +ATOM 652 O ALA A 80 -13.470 32.316 104.848 1.00 16.80 O +ATOM 653 CB ALA A 80 -16.320 31.681 103.422 1.00 20.34 C +ATOM 654 N GLU A 81 -15.172 33.132 106.067 1.00 17.76 N +ATOM 655 CA GLU A 81 -14.375 34.220 106.623 1.00 18.78 C +ATOM 656 C GLU A 81 -13.241 33.745 107.533 1.00 17.44 C +ATOM 657 O GLU A 81 -12.388 34.556 107.898 1.00 17.36 O +ATOM 658 CB GLU A 81 -15.253 35.208 107.415 1.00 20.31 C +ATOM 659 CG GLU A 81 -15.907 34.609 108.665 1.00 23.75 C +ATOM 660 CD GLU A 81 -16.354 35.655 109.693 1.00 30.09 C +ATOM 661 OE1 GLU A 81 -17.210 35.316 110.542 1.00 31.83 O +ATOM 662 OE2 GLU A 81 -15.849 36.810 109.677 1.00 33.38 O +ATOM 663 N ASP A 82 -13.214 32.456 107.888 1.00 16.50 N +ATOM 664 CA ASP A 82 -12.161 31.945 108.780 1.00 17.03 C +ATOM 665 C ASP A 82 -10.818 31.680 108.086 1.00 17.41 C +ATOM 666 O ASP A 82 -9.839 31.262 108.718 1.00 17.68 O +ATOM 667 CB ASP A 82 -12.633 30.684 109.515 1.00 20.00 C +ATOM 668 CG ASP A 82 -13.817 30.955 110.416 1.00 20.90 C +ATOM 669 OD1 ASP A 82 -13.967 32.123 110.849 1.00 22.99 O +ATOM 670 OD2 ASP A 82 -14.586 30.011 110.692 1.00 22.65 O +ATOM 671 N LEU A 83 -10.803 31.890 106.775 1.00 16.64 N +ATOM 672 CA LEU A 83 -9.608 31.762 105.970 1.00 17.38 C +ATOM 673 C LEU A 83 -8.545 32.662 106.613 1.00 16.26 C +ATOM 674 O LEU A 83 -8.740 33.877 106.728 1.00 14.65 O +ATOM 675 CB LEU A 83 -9.912 32.258 104.558 1.00 18.91 C +ATOM 676 CG LEU A 83 -8.680 32.716 103.800 1.00 19.66 C +ATOM 677 CD1 LEU A 83 -7.909 31.471 103.314 1.00 23.31 C +ATOM 678 CD2 LEU A 83 -9.083 33.569 102.653 1.00 19.11 C +ATOM 679 N ALA A 84 -7.429 32.068 107.027 1.00 14.36 N +ATOM 680 CA ALA A 84 -6.366 32.841 107.656 1.00 13.09 C +ATOM 681 C ALA A 84 -5.217 31.951 108.063 1.00 13.14 C +ATOM 682 O ALA A 84 -5.316 30.720 108.002 1.00 15.63 O +ATOM 683 CB ALA A 84 -6.897 33.506 108.932 1.00 12.42 C +ATOM 684 N VAL A 85 -4.136 32.594 108.515 1.00 13.21 N +ATOM 685 CA VAL A 85 -3.009 31.864 109.083 1.00 11.86 C +ATOM 686 C VAL A 85 -3.169 32.054 110.595 1.00 11.68 C +ATOM 687 O VAL A 85 -3.414 33.165 111.070 1.00 12.98 O +ATOM 688 CB VAL A 85 -1.635 32.419 108.670 1.00 11.99 C +ATOM 689 CG1 VAL A 85 -0.549 31.628 109.392 1.00 14.37 C +ATOM 690 CG2 VAL A 85 -1.423 32.274 107.169 1.00 12.64 C +ATOM 691 N TYR A 86 -3.046 30.966 111.338 1.00 11.30 N +ATOM 692 CA TYR A 86 -3.208 30.975 112.788 1.00 11.91 C +ATOM 693 C TYR A 86 -1.873 30.753 113.454 1.00 10.16 C +ATOM 694 O TYR A 86 -1.168 29.813 113.117 1.00 12.63 O +ATOM 695 CB TYR A 86 -4.191 29.866 113.198 1.00 12.93 C +ATOM 696 CG TYR A 86 -5.596 30.145 112.721 1.00 12.46 C +ATOM 697 CD1 TYR A 86 -6.489 30.861 113.525 1.00 12.22 C +ATOM 698 CD2 TYR A 86 -5.996 29.798 111.426 1.00 12.73 C +ATOM 699 CE1 TYR A 86 -7.741 31.236 113.049 1.00 15.98 C +ATOM 700 CE2 TYR A 86 -7.257 30.168 110.940 1.00 14.51 C +ATOM 701 CZ TYR A 86 -8.119 30.885 111.758 1.00 14.96 C +ATOM 702 OH TYR A 86 -9.366 31.244 111.297 1.00 15.38 O +ATOM 703 N TYR A 87 -1.526 31.638 114.389 1.00 12.19 N +ATOM 704 CA TYR A 87 -0.270 31.526 115.116 1.00 10.63 C +ATOM 705 C TYR A 87 -0.494 31.327 116.601 1.00 12.57 C +ATOM 706 O TYR A 87 -1.429 31.901 117.191 1.00 12.80 O +ATOM 707 CB TYR A 87 0.576 32.804 114.971 1.00 11.10 C +ATOM 708 CG TYR A 87 1.037 33.124 113.579 1.00 10.99 C +ATOM 709 CD1 TYR A 87 0.258 33.918 112.717 1.00 12.17 C +ATOM 710 CD2 TYR A 87 2.241 32.618 113.108 1.00 12.66 C +ATOM 711 CE1 TYR A 87 0.693 34.189 111.416 1.00 12.00 C +ATOM 712 CE2 TYR A 87 2.673 32.870 111.832 1.00 12.49 C +ATOM 713 CZ TYR A 87 1.897 33.659 110.987 1.00 14.26 C +ATOM 714 OH TYR A 87 2.350 33.871 109.715 1.00 15.11 O +ATOM 715 N CYS A 88 0.355 30.507 117.220 1.00 12.34 N +ATOM 716 CA CYS A 88 0.267 30.401 118.666 1.00 11.56 C +ATOM 717 C CYS A 88 1.502 31.169 119.161 1.00 12.24 C +ATOM 718 O CYS A 88 2.435 31.423 118.388 1.00 12.48 O +ATOM 719 CB CYS A 88 0.284 28.945 119.157 1.00 12.02 C +ATOM 720 SG CYS A 88 1.749 27.972 118.742 1.00 13.87 S +ATOM 721 N LYS A 89 1.501 31.563 120.432 1.00 12.61 N +ATOM 722 CA LYS A 89 2.618 32.384 120.939 1.00 10.04 C +ATOM 723 C LYS A 89 2.722 32.170 122.434 1.00 11.95 C +ATOM 724 O LYS A 89 1.712 32.284 123.129 1.00 10.58 O +ATOM 725 CB LYS A 89 2.294 33.867 120.711 1.00 10.98 C +ATOM 726 CG LYS A 89 3.401 34.878 121.144 1.00 12.01 C +ATOM 727 CD LYS A 89 2.746 36.178 121.629 1.00 16.15 C +ATOM 728 CE LYS A 89 2.004 35.890 122.958 1.00 16.69 C +ATOM 729 NZ LYS A 89 1.107 37.017 123.293 1.00 21.34 N +ATOM 730 N GLN A 90 3.937 31.905 122.917 1.00 10.74 N +ATOM 731 CA GLN A 90 4.167 31.732 124.354 1.00 13.06 C +ATOM 732 C GLN A 90 4.636 33.043 124.946 1.00 12.94 C +ATOM 733 O GLN A 90 5.300 33.818 124.271 1.00 14.11 O +ATOM 734 CB GLN A 90 5.241 30.663 124.624 1.00 13.51 C +ATOM 735 CG GLN A 90 6.705 30.988 124.208 1.00 12.48 C +ATOM 736 CD GLN A 90 7.467 31.880 125.192 1.00 13.58 C +ATOM 737 OE1 GLN A 90 7.169 31.920 126.383 1.00 14.77 O +ATOM 738 NE2 GLN A 90 8.482 32.591 124.688 1.00 15.39 N +ATOM 739 N SER A 91 4.287 33.292 126.212 1.00 14.10 N +ATOM 740 CA SER A 91 4.742 34.500 126.897 1.00 12.40 C +ATOM 741 C SER A 91 5.220 34.127 128.290 1.00 13.63 C +ATOM 742 O SER A 91 5.215 34.948 129.212 1.00 16.17 O +ATOM 743 CB SER A 91 3.658 35.593 126.932 1.00 13.04 C +ATOM 744 OG SER A 91 2.435 35.191 127.521 1.00 12.26 O +ATOM 745 N TYR A 92 5.638 32.870 128.421 1.00 12.88 N +ATOM 746 CA TYR A 92 6.166 32.327 129.670 1.00 15.23 C +ATOM 747 C TYR A 92 7.564 32.908 129.930 1.00 15.05 C +ATOM 748 O TYR A 92 7.948 33.115 131.081 1.00 15.32 O +ATOM 749 CB TYR A 92 6.257 30.809 129.561 1.00 15.76 C +ATOM 750 CG TYR A 92 6.751 30.114 130.815 1.00 17.86 C +ATOM 751 CD1 TYR A 92 5.853 29.571 131.738 1.00 20.31 C +ATOM 752 CD2 TYR A 92 8.112 30.005 131.069 1.00 18.91 C +ATOM 753 CE1 TYR A 92 6.315 28.923 132.896 1.00 21.25 C +ATOM 754 CE2 TYR A 92 8.593 29.370 132.223 1.00 21.13 C +ATOM 755 CZ TYR A 92 7.694 28.834 133.127 1.00 21.59 C +ATOM 756 OH TYR A 92 8.175 28.226 134.262 1.00 22.57 O +ATOM 757 N ASN A 93 8.333 33.154 128.865 1.00 14.43 N +ATOM 758 CA ASN A 93 9.682 33.726 129.007 1.00 14.57 C +ATOM 759 C ASN A 93 9.833 34.594 127.764 1.00 14.41 C +ATOM 760 O ASN A 93 10.061 34.078 126.660 1.00 14.58 O +ATOM 761 CB ASN A 93 10.722 32.591 129.060 1.00 15.89 C +ATOM 762 CG ASN A 93 12.127 33.084 129.373 1.00 18.58 C +ATOM 763 OD1 ASN A 93 12.912 32.398 130.055 1.00 21.99 O +ATOM 764 ND2 ASN A 93 12.459 34.247 128.870 1.00 15.88 N +ATOM 765 N LEU A 94 9.708 35.907 127.952 1.00 13.73 N +ATOM 766 CA LEU A 94 9.715 36.853 126.830 1.00 14.24 C +ATOM 767 C LEU A 94 8.601 36.308 125.918 1.00 13.90 C +ATOM 768 O LEU A 94 7.615 35.796 126.437 1.00 13.56 O +ATOM 769 CB LEU A 94 11.084 36.902 126.136 1.00 13.04 C +ATOM 770 CG LEU A 94 12.174 37.452 127.069 1.00 12.76 C +ATOM 771 CD1 LEU A 94 13.443 37.796 126.234 1.00 14.10 C +ATOM 772 CD2 LEU A 94 11.649 38.726 127.782 1.00 14.28 C +ATOM 773 N ARG A 95 8.723 36.407 124.596 1.00 13.29 N +ATOM 774 CA ARG A 95 7.668 35.878 123.747 1.00 13.34 C +ATOM 775 C ARG A 95 8.235 35.222 122.511 1.00 12.96 C +ATOM 776 O ARG A 95 9.268 35.658 122.000 1.00 12.62 O +ATOM 777 CB ARG A 95 6.675 36.976 123.316 1.00 12.67 C +ATOM 778 CG ARG A 95 5.781 37.553 124.437 1.00 12.36 C +ATOM 779 CD ARG A 95 6.482 38.744 125.117 1.00 13.13 C +ATOM 780 NE ARG A 95 5.660 39.468 126.102 1.00 12.82 N +ATOM 781 CZ ARG A 95 5.482 39.079 127.367 1.00 13.41 C +ATOM 782 NH1 ARG A 95 6.058 37.961 127.809 1.00 13.54 N +ATOM 783 NH2 ARG A 95 4.772 39.830 128.206 1.00 14.59 N +ATOM 784 N THR A 96 7.545 34.186 122.041 1.00 13.16 N +ATOM 785 CA THR A 96 7.940 33.444 120.842 1.00 13.79 C +ATOM 786 C THR A 96 6.682 32.943 120.120 1.00 14.05 C +ATOM 787 O THR A 96 5.757 32.414 120.742 1.00 11.87 O +ATOM 788 CB THR A 96 8.803 32.193 121.160 1.00 14.69 C +ATOM 789 OG1 THR A 96 9.917 32.559 121.980 1.00 18.75 O +ATOM 790 CG2 THR A 96 9.339 31.601 119.872 1.00 15.17 C +ATOM 791 N PHE A 97 6.675 33.126 118.808 1.00 13.84 N +ATOM 792 CA PHE A 97 5.582 32.715 117.946 1.00 13.49 C +ATOM 793 C PHE A 97 5.915 31.397 117.261 1.00 13.02 C +ATOM 794 O PHE A 97 7.079 31.133 116.944 1.00 14.61 O +ATOM 795 CB PHE A 97 5.358 33.758 116.838 1.00 11.33 C +ATOM 796 CG PHE A 97 4.671 34.999 117.301 1.00 13.47 C +ATOM 797 CD1 PHE A 97 3.284 35.051 117.377 1.00 11.85 C +ATOM 798 CD2 PHE A 97 5.411 36.110 117.709 1.00 12.79 C +ATOM 799 CE1 PHE A 97 2.643 36.186 117.855 1.00 13.07 C +ATOM 800 CE2 PHE A 97 4.779 37.251 118.190 1.00 12.24 C +ATOM 801 CZ PHE A 97 3.390 37.292 118.267 1.00 15.47 C +ATOM 802 N GLY A 98 4.891 30.582 117.056 1.00 13.66 N +ATOM 803 CA GLY A 98 5.054 29.349 116.301 1.00 13.63 C +ATOM 804 C GLY A 98 5.106 29.786 114.834 1.00 13.71 C +ATOM 805 O GLY A 98 4.898 30.966 114.543 1.00 12.44 O +ATOM 806 N GLY A 99 5.345 28.844 113.919 1.00 13.75 N +ATOM 807 CA GLY A 99 5.466 29.141 112.495 1.00 12.64 C +ATOM 808 C GLY A 99 4.173 29.346 111.711 1.00 13.32 C +ATOM 809 O GLY A 99 4.195 29.668 110.514 1.00 13.13 O +ATOM 810 N GLY A 100 3.053 29.122 112.392 1.00 12.83 N +ATOM 811 CA GLY A 100 1.738 29.309 111.803 1.00 13.88 C +ATOM 812 C GLY A 100 1.127 28.115 111.089 1.00 14.65 C +ATOM 813 O GLY A 100 1.831 27.199 110.665 1.00 13.97 O +ATOM 814 N THR A 101 -0.202 28.131 110.977 1.00 14.38 N +ATOM 815 CA THR A 101 -0.953 27.110 110.259 1.00 15.33 C +ATOM 816 C THR A 101 -1.866 27.876 109.308 1.00 14.34 C +ATOM 817 O THR A 101 -2.709 28.656 109.758 1.00 15.54 O +ATOM 818 CB THR A 101 -1.861 26.225 111.187 1.00 16.10 C +ATOM 819 OG1 THR A 101 -1.064 25.277 111.907 1.00 14.07 O +ATOM 820 CG2 THR A 101 -2.890 25.466 110.352 1.00 17.88 C +ATOM 821 N LYS A 102 -1.702 27.652 108.004 1.00 15.17 N +ATOM 822 CA LYS A 102 -2.523 28.312 106.977 1.00 13.19 C +ATOM 823 C LYS A 102 -3.763 27.475 106.723 1.00 15.17 C +ATOM 824 O LYS A 102 -3.661 26.319 106.320 1.00 15.78 O +ATOM 825 CB LYS A 102 -1.738 28.454 105.663 1.00 17.07 C +ATOM 826 CG LYS A 102 -2.537 29.083 104.506 1.00 19.35 C +ATOM 827 CD LYS A 102 -1.607 29.557 103.382 1.00 25.80 C +ATOM 828 CE LYS A 102 -2.375 30.116 102.172 1.00 29.14 C +ATOM 829 NZ LYS A 102 -1.468 30.590 101.074 1.00 31.11 N +ATOM 830 N LEU A 103 -4.930 28.045 107.007 1.00 13.10 N +ATOM 831 CA LEU A 103 -6.198 27.368 106.797 1.00 14.31 C +ATOM 832 C LEU A 103 -6.827 27.899 105.497 1.00 15.56 C +ATOM 833 O LEU A 103 -7.095 29.104 105.357 1.00 13.55 O +ATOM 834 CB LEU A 103 -7.151 27.612 107.990 1.00 14.28 C +ATOM 835 CG LEU A 103 -8.573 27.072 107.757 1.00 16.09 C +ATOM 836 CD1 LEU A 103 -8.522 25.556 107.740 1.00 15.46 C +ATOM 837 CD2 LEU A 103 -9.535 27.552 108.843 1.00 16.35 C +ATOM 838 N GLU A 104 -7.028 26.990 104.540 1.00 14.69 N +ATOM 839 CA GLU A 104 -7.626 27.325 103.243 1.00 16.67 C +ATOM 840 C GLU A 104 -9.057 26.807 103.331 1.00 15.81 C +ATOM 841 O GLU A 104 -9.341 25.927 104.135 1.00 14.06 O +ATOM 842 CB GLU A 104 -6.878 26.601 102.089 1.00 18.72 C +ATOM 843 CG GLU A 104 -7.460 26.863 100.659 1.00 25.69 C +ATOM 844 CD GLU A 104 -7.029 25.837 99.566 1.00 29.36 C +ATOM 845 OE1 GLU A 104 -6.151 24.984 99.822 1.00 30.55 O +ATOM 846 OE2 GLU A 104 -7.570 25.891 98.431 1.00 28.74 O +ATOM 847 N ILE A 105 -9.954 27.366 102.533 1.00 16.01 N +ATOM 848 CA ILE A 105 -11.340 26.908 102.539 1.00 17.70 C +ATOM 849 C ILE A 105 -11.639 26.096 101.276 1.00 18.77 C +ATOM 850 O ILE A 105 -11.396 26.558 100.148 1.00 19.60 O +ATOM 851 CB ILE A 105 -12.349 28.089 102.573 1.00 18.60 C +ATOM 852 CG1 ILE A 105 -12.110 28.971 103.802 1.00 16.98 C +ATOM 853 CG2 ILE A 105 -13.782 27.528 102.566 1.00 18.44 C +ATOM 854 CD1 ILE A 105 -12.147 28.185 105.164 1.00 20.27 C +ATOM 855 N LYS A 106 -12.147 24.881 101.445 1.00 17.49 N +ATOM 856 CA LYS A 106 -12.500 24.103 100.265 1.00 18.86 C +ATOM 857 C LYS A 106 -13.940 24.433 99.869 1.00 19.41 C +ATOM 858 O LYS A 106 -14.802 24.592 100.734 1.00 19.66 O +ATOM 859 CB LYS A 106 -12.379 22.604 100.532 1.00 20.88 C +ATOM 860 CG LYS A 106 -12.721 21.755 99.332 1.00 24.51 C +ATOM 861 CD LYS A 106 -12.494 20.285 99.644 1.00 28.49 C +ATOM 862 CE LYS A 106 -12.817 19.419 98.442 1.00 29.70 C +ATOM 863 NZ LYS A 106 -12.370 18.030 98.688 1.00 33.01 N +ATOM 864 N ARG A 107 -14.192 24.538 98.563 1.00 20.32 N +ATOM 865 CA ARG A 107 -15.523 24.824 98.046 1.00 19.88 C +ATOM 866 C ARG A 107 -15.728 24.063 96.738 1.00 21.39 C +ATOM 867 O ARG A 107 -14.823 23.370 96.269 1.00 19.98 O +ATOM 868 CB ARG A 107 -15.700 26.322 97.790 1.00 19.06 C +ATOM 869 CG ARG A 107 -14.742 26.900 96.745 1.00 21.30 C +ATOM 870 CD ARG A 107 -15.339 28.142 96.099 1.00 21.14 C +ATOM 871 NE ARG A 107 -16.412 27.787 95.167 1.00 19.91 N +ATOM 872 CZ ARG A 107 -17.430 28.580 94.841 1.00 21.29 C +ATOM 873 NH1 ARG A 107 -17.539 29.795 95.372 1.00 20.92 N +ATOM 874 NH2 ARG A 107 -18.328 28.164 93.954 1.00 21.19 N +ATOM 875 N ALA A 108 -16.914 24.192 96.147 1.00 21.01 N +ATOM 876 CA ALA A 108 -17.194 23.509 94.877 1.00 20.83 C +ATOM 877 C ALA A 108 -16.395 24.168 93.752 1.00 18.73 C +ATOM 878 O ALA A 108 -16.219 25.386 93.750 1.00 18.65 O +ATOM 879 CB ALA A 108 -18.693 23.585 94.549 1.00 22.14 C +ATOM 880 N ASP A 109 -15.928 23.365 92.795 1.00 18.37 N +ATOM 881 CA ASP A 109 -15.173 23.897 91.660 1.00 18.61 C +ATOM 882 C ASP A 109 -15.984 24.998 90.968 1.00 17.99 C +ATOM 883 O ASP A 109 -17.220 24.915 90.878 1.00 17.55 O +ATOM 884 CB ASP A 109 -14.879 22.805 90.613 1.00 18.63 C +ATOM 885 CG ASP A 109 -13.904 21.743 91.108 1.00 23.27 C +ATOM 886 OD1 ASP A 109 -13.259 21.928 92.165 1.00 22.35 O +ATOM 887 OD2 ASP A 109 -13.787 20.712 90.410 1.00 24.19 O +ATOM 888 N ALA A 110 -15.285 26.003 90.451 1.00 16.28 N +ATOM 889 CA ALA A 110 -15.917 27.129 89.757 1.00 16.01 C +ATOM 890 C ALA A 110 -15.010 27.586 88.624 1.00 15.77 C +ATOM 891 O ALA A 110 -13.797 27.736 88.816 1.00 16.21 O +ATOM 892 CB ALA A 110 -16.155 28.301 90.725 1.00 14.54 C +ATOM 893 N ALA A 111 -15.603 27.768 87.448 1.00 15.29 N +ATOM 894 CA ALA A 111 -14.895 28.226 86.261 1.00 14.15 C +ATOM 895 C ALA A 111 -14.510 29.705 86.383 1.00 15.63 C +ATOM 896 O ALA A 111 -15.192 30.484 87.033 1.00 15.95 O +ATOM 897 CB ALA A 111 -15.788 28.017 85.024 1.00 16.17 C +ATOM 898 N PRO A 112 -13.393 30.108 85.767 1.00 16.11 N +ATOM 899 CA PRO A 112 -12.981 31.509 85.850 1.00 16.90 C +ATOM 900 C PRO A 112 -13.776 32.366 84.882 1.00 18.06 C +ATOM 901 O PRO A 112 -14.336 31.856 83.923 1.00 18.44 O +ATOM 902 CB PRO A 112 -11.514 31.465 85.457 1.00 18.12 C +ATOM 903 CG PRO A 112 -11.479 30.329 84.460 1.00 14.83 C +ATOM 904 CD PRO A 112 -12.371 29.284 85.105 1.00 18.06 C +ATOM 905 N THR A 113 -13.840 33.655 85.174 1.00 17.83 N +ATOM 906 CA THR A 113 -14.486 34.613 84.290 1.00 18.79 C +ATOM 907 C THR A 113 -13.280 35.336 83.736 1.00 16.25 C +ATOM 908 O THR A 113 -12.534 35.982 84.464 1.00 18.45 O +ATOM 909 CB THR A 113 -15.377 35.587 85.045 1.00 18.75 C +ATOM 910 OG1 THR A 113 -16.538 34.887 85.513 1.00 22.16 O +ATOM 911 CG2 THR A 113 -15.804 36.736 84.123 1.00 19.95 C +ATOM 912 N VAL A 114 -13.079 35.197 82.441 1.00 16.27 N +ATOM 913 CA VAL A 114 -11.924 35.769 81.789 1.00 14.75 C +ATOM 914 C VAL A 114 -12.194 37.064 81.011 1.00 16.50 C +ATOM 915 O VAL A 114 -13.199 37.170 80.278 1.00 14.88 O +ATOM 916 CB VAL A 114 -11.313 34.732 80.826 1.00 16.91 C +ATOM 917 CG1 VAL A 114 -10.022 35.275 80.240 1.00 13.96 C +ATOM 918 CG2 VAL A 114 -11.090 33.364 81.578 1.00 15.94 C +ATOM 919 N SER A 115 -11.268 38.014 81.169 1.00 14.84 N +ATOM 920 CA SER A 115 -11.303 39.326 80.509 1.00 17.14 C +ATOM 921 C SER A 115 -9.904 39.691 79.964 1.00 16.50 C +ATOM 922 O SER A 115 -8.908 39.546 80.670 1.00 16.45 O +ATOM 923 CB SER A 115 -11.710 40.418 81.516 1.00 17.51 C +ATOM 924 OG SER A 115 -12.972 40.159 82.115 1.00 22.46 O +ATOM 925 N ILE A 116 -9.831 40.190 78.730 1.00 16.28 N +ATOM 926 CA ILE A 116 -8.546 40.593 78.136 1.00 15.24 C +ATOM 927 C ILE A 116 -8.552 42.104 77.856 1.00 15.62 C +ATOM 928 O ILE A 116 -9.573 42.667 77.445 1.00 14.87 O +ATOM 929 CB ILE A 116 -8.257 39.838 76.807 1.00 14.94 C +ATOM 930 CG1 ILE A 116 -6.835 40.151 76.319 1.00 13.95 C +ATOM 931 CG2 ILE A 116 -9.297 40.229 75.740 1.00 17.45 C +ATOM 932 CD1 ILE A 116 -6.409 39.306 75.074 1.00 10.01 C +ATOM 933 N PHE A 117 -7.408 42.749 78.079 1.00 13.56 N +ATOM 934 CA PHE A 117 -7.277 44.196 77.896 1.00 14.71 C +ATOM 935 C PHE A 117 -6.067 44.579 77.066 1.00 16.05 C +ATOM 936 O PHE A 117 -4.931 44.155 77.339 1.00 16.85 O +ATOM 937 CB PHE A 117 -7.193 44.890 79.267 1.00 14.63 C +ATOM 938 CG PHE A 117 -8.336 44.554 80.197 1.00 15.02 C +ATOM 939 CD1 PHE A 117 -8.295 43.409 80.982 1.00 14.85 C +ATOM 940 CD2 PHE A 117 -9.477 45.351 80.236 1.00 17.46 C +ATOM 941 CE1 PHE A 117 -9.382 43.046 81.794 1.00 18.43 C +ATOM 942 CE2 PHE A 117 -10.574 45.008 81.046 1.00 16.25 C +ATOM 943 CZ PHE A 117 -10.537 43.863 81.822 1.00 18.59 C +ATOM 944 N PRO A 118 -6.292 45.398 76.030 1.00 17.25 N +ATOM 945 CA PRO A 118 -5.212 45.840 75.160 1.00 18.08 C +ATOM 946 C PRO A 118 -4.432 46.921 75.880 1.00 17.48 C +ATOM 947 O PRO A 118 -4.899 47.487 76.894 1.00 14.59 O +ATOM 948 CB PRO A 118 -5.937 46.429 73.945 1.00 20.38 C +ATOM 949 CG PRO A 118 -7.380 45.941 74.091 1.00 23.71 C +ATOM 950 CD PRO A 118 -7.586 45.928 75.570 1.00 18.55 C +ATOM 951 N PRO A 119 -3.234 47.212 75.373 1.00 17.25 N +ATOM 952 CA PRO A 119 -2.349 48.233 75.922 1.00 17.80 C +ATOM 953 C PRO A 119 -3.075 49.556 75.771 1.00 17.34 C +ATOM 954 O PRO A 119 -3.853 49.747 74.823 1.00 16.72 O +ATOM 955 CB PRO A 119 -1.138 48.175 75.007 1.00 18.08 C +ATOM 956 CG PRO A 119 -1.148 46.727 74.535 1.00 19.81 C +ATOM 957 CD PRO A 119 -2.595 46.515 74.245 1.00 18.65 C +ATOM 958 N SER A 120 -2.857 50.452 76.727 1.00 18.03 N +ATOM 959 CA SER A 120 -3.464 51.771 76.685 1.00 15.58 C +ATOM 960 C SER A 120 -2.584 52.696 75.820 1.00 17.84 C +ATOM 961 O SER A 120 -1.381 52.459 75.664 1.00 16.09 O +ATOM 962 CB SER A 120 -3.536 52.337 78.095 1.00 17.76 C +ATOM 963 OG SER A 120 -2.223 52.424 78.604 1.00 17.26 O +ATOM 964 N SER A 121 -3.176 53.761 75.282 1.00 18.00 N +ATOM 965 CA SER A 121 -2.418 54.686 74.463 1.00 18.48 C +ATOM 966 C SER A 121 -1.334 55.350 75.304 1.00 19.90 C +ATOM 967 O SER A 121 -0.239 55.614 74.806 1.00 19.90 O +ATOM 968 CB SER A 121 -3.349 55.737 73.841 1.00 20.20 C +ATOM 969 OG SER A 121 -4.011 56.514 74.830 1.00 20.91 O +ATOM 970 N GLU A 122 -1.608 55.588 76.585 1.00 18.25 N +ATOM 971 CA GLU A 122 -0.590 56.226 77.408 1.00 20.57 C +ATOM 972 C GLU A 122 0.639 55.339 77.664 1.00 20.83 C +ATOM 973 O GLU A 122 1.714 55.850 77.970 1.00 21.98 O +ATOM 974 CB GLU A 122 -1.166 56.771 78.727 1.00 20.87 C +ATOM 975 CG GLU A 122 -2.089 55.868 79.482 1.00 23.56 C +ATOM 976 CD GLU A 122 -3.554 56.097 79.145 1.00 25.52 C +ATOM 977 OE1 GLU A 122 -3.982 55.792 77.994 1.00 21.90 O +ATOM 978 OE2 GLU A 122 -4.272 56.586 80.055 1.00 24.65 O +ATOM 979 N GLN A 123 0.497 54.020 77.552 1.00 17.44 N +ATOM 980 CA GLN A 123 1.677 53.188 77.732 1.00 16.37 C +ATOM 981 C GLN A 123 2.426 53.107 76.405 1.00 16.86 C +ATOM 982 O GLN A 123 3.657 53.206 76.355 1.00 17.38 O +ATOM 983 CB GLN A 123 1.305 51.778 78.197 1.00 16.08 C +ATOM 984 CG GLN A 123 2.515 50.864 78.195 1.00 14.20 C +ATOM 985 CD GLN A 123 2.219 49.484 78.693 1.00 12.25 C +ATOM 986 OE1 GLN A 123 1.127 48.973 78.513 1.00 14.89 O +ATOM 987 NE2 GLN A 123 3.213 48.858 79.316 1.00 15.95 N +ATOM 988 N LEU A 124 1.679 52.960 75.321 1.00 17.52 N +ATOM 989 CA LEU A 124 2.306 52.845 74.007 1.00 18.48 C +ATOM 990 C LEU A 124 3.128 54.083 73.647 1.00 21.05 C +ATOM 991 O LEU A 124 4.215 53.976 73.064 1.00 21.58 O +ATOM 992 CB LEU A 124 1.241 52.575 72.955 1.00 19.38 C +ATOM 993 CG LEU A 124 0.628 51.174 73.047 1.00 20.32 C +ATOM 994 CD1 LEU A 124 -0.720 51.127 72.322 1.00 21.24 C +ATOM 995 CD2 LEU A 124 1.616 50.162 72.463 1.00 20.22 C +ATOM 996 N THR A 125 2.639 55.253 74.047 1.00 22.38 N +ATOM 997 CA THR A 125 3.337 56.498 73.759 1.00 23.75 C +ATOM 998 C THR A 125 4.785 56.429 74.249 1.00 25.07 C +ATOM 999 O THR A 125 5.672 57.025 73.643 1.00 22.93 O +ATOM 1000 CB THR A 125 2.608 57.713 74.417 1.00 24.75 C +ATOM 1001 OG1 THR A 125 3.156 58.940 73.921 1.00 24.90 O +ATOM 1002 CG2 THR A 125 2.776 57.692 75.919 1.00 26.51 C +ATOM 1003 N SER A 126 5.021 55.673 75.322 1.00 24.61 N +ATOM 1004 CA SER A 126 6.358 55.545 75.891 1.00 26.10 C +ATOM 1005 C SER A 126 7.194 54.389 75.357 1.00 25.30 C +ATOM 1006 O SER A 126 8.307 54.171 75.830 1.00 26.75 O +ATOM 1007 CB SER A 126 6.277 55.431 77.416 1.00 27.30 C +ATOM 1008 OG SER A 126 5.582 54.253 77.796 1.00 31.88 O +ATOM 1009 N GLY A 127 6.663 53.625 74.407 1.00 24.60 N +ATOM 1010 CA GLY A 127 7.440 52.530 73.842 1.00 24.80 C +ATOM 1011 C GLY A 127 7.173 51.103 74.298 1.00 23.25 C +ATOM 1012 O GLY A 127 7.762 50.167 73.764 1.00 24.67 O +ATOM 1013 N GLY A 128 6.293 50.921 75.276 1.00 23.97 N +ATOM 1014 CA GLY A 128 5.999 49.575 75.754 1.00 21.82 C +ATOM 1015 C GLY A 128 4.556 49.166 75.498 1.00 18.80 C +ATOM 1016 O GLY A 128 3.708 49.996 75.173 1.00 17.45 O +ATOM 1017 N ALA A 129 4.280 47.875 75.623 1.00 18.44 N +ATOM 1018 CA ALA A 129 2.927 47.357 75.404 1.00 17.66 C +ATOM 1019 C ALA A 129 2.616 46.170 76.312 1.00 18.89 C +ATOM 1020 O ALA A 129 3.168 45.088 76.143 1.00 21.23 O +ATOM 1021 CB ALA A 129 2.753 46.935 73.944 1.00 16.97 C +ATOM 1022 N SER A 130 1.728 46.369 77.282 1.00 17.18 N +ATOM 1023 CA SER A 130 1.368 45.270 78.166 1.00 16.37 C +ATOM 1024 C SER A 130 -0.059 44.883 77.840 1.00 16.00 C +ATOM 1025 O SER A 130 -0.925 45.755 77.751 1.00 15.16 O +ATOM 1026 CB SER A 130 1.414 45.704 79.631 1.00 16.62 C +ATOM 1027 OG SER A 130 2.716 46.043 80.044 1.00 17.18 O +ATOM 1028 N VAL A 131 -0.295 43.582 77.675 1.00 15.94 N +ATOM 1029 CA VAL A 131 -1.632 43.063 77.423 1.00 16.40 C +ATOM 1030 C VAL A 131 -1.988 42.326 78.715 1.00 16.66 C +ATOM 1031 O VAL A 131 -1.203 41.527 79.222 1.00 15.15 O +ATOM 1032 CB VAL A 131 -1.642 42.069 76.243 1.00 17.87 C +ATOM 1033 CG1 VAL A 131 -3.055 41.697 75.895 1.00 16.67 C +ATOM 1034 CG2 VAL A 131 -0.912 42.683 75.054 1.00 19.10 C +ATOM 1035 N VAL A 132 -3.171 42.583 79.245 1.00 16.47 N +ATOM 1036 CA VAL A 132 -3.549 41.967 80.510 1.00 16.87 C +ATOM 1037 C VAL A 132 -4.757 41.072 80.416 1.00 17.48 C +ATOM 1038 O VAL A 132 -5.719 41.356 79.712 1.00 16.52 O +ATOM 1039 CB VAL A 132 -3.823 43.051 81.584 1.00 14.85 C +ATOM 1040 CG1 VAL A 132 -4.202 42.400 82.918 1.00 14.93 C +ATOM 1041 CG2 VAL A 132 -2.586 43.926 81.765 1.00 16.47 C +ATOM 1042 N CYS A 133 -4.684 39.967 81.146 1.00 16.37 N +ATOM 1043 CA CYS A 133 -5.765 39.037 81.189 1.00 16.36 C +ATOM 1044 C CYS A 133 -6.162 38.771 82.646 1.00 16.20 C +ATOM 1045 O CYS A 133 -5.304 38.437 83.460 1.00 16.72 O +ATOM 1046 CB CYS A 133 -5.315 37.736 80.549 1.00 21.85 C +ATOM 1047 SG CYS A 133 -6.725 36.667 80.206 1.00 24.90 S +ATOM 1048 N PHE A 134 -7.444 38.935 82.975 1.00 15.74 N +ATOM 1049 CA PHE A 134 -7.900 38.633 84.327 1.00 15.64 C +ATOM 1050 C PHE A 134 -8.679 37.327 84.275 1.00 16.22 C +ATOM 1051 O PHE A 134 -9.530 37.138 83.401 1.00 16.17 O +ATOM 1052 CB PHE A 134 -8.823 39.717 84.911 1.00 16.32 C +ATOM 1053 CG PHE A 134 -8.136 41.030 85.229 1.00 18.62 C +ATOM 1054 CD1 PHE A 134 -6.881 41.061 85.814 1.00 21.05 C +ATOM 1055 CD2 PHE A 134 -8.775 42.238 84.962 1.00 21.84 C +ATOM 1056 CE1 PHE A 134 -6.262 42.281 86.135 1.00 18.99 C +ATOM 1057 CE2 PHE A 134 -8.169 43.458 85.275 1.00 22.35 C +ATOM 1058 CZ PHE A 134 -6.904 43.474 85.866 1.00 21.18 C +ATOM 1059 N LEU A 135 -8.387 36.426 85.206 1.00 16.48 N +ATOM 1060 CA LEU A 135 -9.111 35.157 85.308 1.00 18.35 C +ATOM 1061 C LEU A 135 -9.697 35.216 86.706 1.00 17.83 C +ATOM 1062 O LEU A 135 -9.018 34.903 87.697 1.00 17.84 O +ATOM 1063 CB LEU A 135 -8.162 33.968 85.182 1.00 17.36 C +ATOM 1064 CG LEU A 135 -7.613 33.663 83.775 1.00 20.96 C +ATOM 1065 CD1 LEU A 135 -6.793 34.821 83.260 1.00 23.30 C +ATOM 1066 CD2 LEU A 135 -6.759 32.427 83.844 1.00 20.23 C +ATOM 1067 N ASN A 136 -10.954 35.616 86.803 1.00 18.29 N +ATOM 1068 CA ASN A 136 -11.551 35.807 88.110 1.00 18.31 C +ATOM 1069 C ASN A 136 -12.545 34.808 88.667 1.00 19.54 C +ATOM 1070 O ASN A 136 -13.311 34.162 87.931 1.00 18.48 O +ATOM 1071 CB ASN A 136 -12.182 37.211 88.191 1.00 20.34 C +ATOM 1072 CG ASN A 136 -11.144 38.330 88.059 1.00 23.05 C +ATOM 1073 OD1 ASN A 136 -9.964 38.114 88.325 1.00 25.01 O +ATOM 1074 ND2 ASN A 136 -11.587 39.531 87.665 1.00 21.52 N +ATOM 1075 N ASN A 137 -12.502 34.717 89.997 1.00 19.43 N +ATOM 1076 CA ASN A 137 -13.390 33.886 90.790 1.00 19.56 C +ATOM 1077 C ASN A 137 -13.505 32.429 90.374 1.00 18.91 C +ATOM 1078 O ASN A 137 -14.573 31.979 90.005 1.00 18.92 O +ATOM 1079 CB ASN A 137 -14.783 34.546 90.818 1.00 22.77 C +ATOM 1080 CG ASN A 137 -14.782 35.876 91.572 1.00 29.33 C +ATOM 1081 OD1 ASN A 137 -13.932 36.736 91.336 1.00 30.00 O +ATOM 1082 ND2 ASN A 137 -15.739 36.045 92.487 1.00 33.09 N +ATOM 1083 N PHE A 138 -12.404 31.687 90.464 1.00 16.90 N +ATOM 1084 CA PHE A 138 -12.405 30.274 90.104 1.00 16.87 C +ATOM 1085 C PHE A 138 -11.885 29.445 91.265 1.00 15.79 C +ATOM 1086 O PHE A 138 -11.292 29.985 92.193 1.00 14.85 O +ATOM 1087 CB PHE A 138 -11.526 30.003 88.868 1.00 14.37 C +ATOM 1088 CG PHE A 138 -10.097 30.446 89.020 1.00 16.27 C +ATOM 1089 CD1 PHE A 138 -9.696 31.732 88.631 1.00 17.19 C +ATOM 1090 CD2 PHE A 138 -9.137 29.567 89.534 1.00 14.04 C +ATOM 1091 CE1 PHE A 138 -8.355 32.120 88.749 1.00 15.50 C +ATOM 1092 CE2 PHE A 138 -7.799 29.946 89.655 1.00 14.29 C +ATOM 1093 CZ PHE A 138 -7.410 31.227 89.257 1.00 13.26 C +ATOM 1094 N TYR A 139 -12.093 28.135 91.187 1.00 15.88 N +ATOM 1095 CA TYR A 139 -11.620 27.217 92.223 1.00 16.24 C +ATOM 1096 C TYR A 139 -11.617 25.855 91.578 1.00 16.68 C +ATOM 1097 O TYR A 139 -12.556 25.515 90.851 1.00 16.94 O +ATOM 1098 CB TYR A 139 -12.558 27.215 93.432 1.00 16.77 C +ATOM 1099 CG TYR A 139 -12.027 26.387 94.576 1.00 17.85 C +ATOM 1100 CD1 TYR A 139 -12.135 24.992 94.570 1.00 20.56 C +ATOM 1101 CD2 TYR A 139 -11.349 26.995 95.634 1.00 21.50 C +ATOM 1102 CE1 TYR A 139 -11.567 24.224 95.589 1.00 21.41 C +ATOM 1103 CE2 TYR A 139 -10.781 26.239 96.655 1.00 19.97 C +ATOM 1104 CZ TYR A 139 -10.890 24.860 96.624 1.00 21.24 C +ATOM 1105 OH TYR A 139 -10.282 24.128 97.618 1.00 24.36 O +ATOM 1106 N PRO A 140 -10.577 25.045 91.827 1.00 17.70 N +ATOM 1107 CA PRO A 140 -9.379 25.252 92.663 1.00 17.26 C +ATOM 1108 C PRO A 140 -8.350 26.207 92.052 1.00 17.30 C +ATOM 1109 O PRO A 140 -8.488 26.633 90.905 1.00 15.71 O +ATOM 1110 CB PRO A 140 -8.834 23.837 92.843 1.00 17.17 C +ATOM 1111 CG PRO A 140 -9.165 23.203 91.533 1.00 19.70 C +ATOM 1112 CD PRO A 140 -10.545 23.730 91.163 1.00 16.13 C +ATOM 1113 N LYS A 141 -7.315 26.527 92.836 1.00 18.07 N +ATOM 1114 CA LYS A 141 -6.261 27.471 92.442 1.00 18.23 C +ATOM 1115 C LYS A 141 -5.479 27.138 91.170 1.00 17.19 C +ATOM 1116 O LYS A 141 -5.078 28.029 90.421 1.00 15.62 O +ATOM 1117 CB LYS A 141 -5.277 27.628 93.606 1.00 20.91 C +ATOM 1118 CG LYS A 141 -4.174 28.683 93.408 1.00 24.69 C +ATOM 1119 CD LYS A 141 -3.491 28.976 94.763 1.00 26.70 C +ATOM 1120 CE LYS A 141 -2.621 30.232 94.738 1.00 29.05 C +ATOM 1121 NZ LYS A 141 -2.092 30.557 96.093 1.00 28.67 N +ATOM 1122 N ASP A 142 -5.259 25.858 90.927 1.00 18.42 N +ATOM 1123 CA ASP A 142 -4.503 25.451 89.765 1.00 18.41 C +ATOM 1124 C ASP A 142 -5.194 25.862 88.459 1.00 18.80 C +ATOM 1125 O ASP A 142 -6.383 25.591 88.243 1.00 16.38 O +ATOM 1126 CB ASP A 142 -4.278 23.934 89.817 1.00 23.69 C +ATOM 1127 CG ASP A 142 -3.453 23.430 88.663 1.00 28.92 C +ATOM 1128 OD1 ASP A 142 -3.411 22.190 88.447 1.00 32.73 O +ATOM 1129 OD2 ASP A 142 -2.835 24.271 87.968 1.00 34.51 O +ATOM 1130 N ILE A 143 -4.447 26.531 87.584 1.00 17.08 N +ATOM 1131 CA ILE A 143 -5.011 26.939 86.315 1.00 17.21 C +ATOM 1132 C ILE A 143 -3.861 27.171 85.330 1.00 18.28 C +ATOM 1133 O ILE A 143 -2.715 27.441 85.735 1.00 18.00 O +ATOM 1134 CB ILE A 143 -5.871 28.228 86.508 1.00 15.37 C +ATOM 1135 CG1 ILE A 143 -6.767 28.457 85.295 1.00 15.97 C +ATOM 1136 CG2 ILE A 143 -4.959 29.427 86.749 1.00 17.35 C +ATOM 1137 CD1 ILE A 143 -7.913 29.416 85.554 1.00 13.54 C +ATOM 1138 N ASN A 144 -4.159 27.046 84.047 1.00 17.42 N +ATOM 1139 CA ASN A 144 -3.149 27.252 83.025 1.00 17.04 C +ATOM 1140 C ASN A 144 -3.554 28.390 82.126 1.00 17.10 C +ATOM 1141 O ASN A 144 -4.707 28.472 81.710 1.00 16.40 O +ATOM 1142 CB ASN A 144 -2.997 26.011 82.137 1.00 21.30 C +ATOM 1143 CG ASN A 144 -1.945 26.197 81.041 1.00 23.37 C +ATOM 1144 OD1 ASN A 144 -2.257 26.535 79.881 1.00 24.34 O +ATOM 1145 ND2 ASN A 144 -0.681 25.973 81.408 1.00 25.17 N +ATOM 1146 N VAL A 145 -2.607 29.259 81.812 1.00 16.69 N +ATOM 1147 CA VAL A 145 -2.888 30.344 80.880 1.00 18.41 C +ATOM 1148 C VAL A 145 -1.877 30.277 79.747 1.00 19.15 C +ATOM 1149 O VAL A 145 -0.699 30.022 79.986 1.00 19.47 O +ATOM 1150 CB VAL A 145 -2.766 31.742 81.514 1.00 19.20 C +ATOM 1151 CG1 VAL A 145 -3.159 32.798 80.485 1.00 21.02 C +ATOM 1152 CG2 VAL A 145 -3.679 31.851 82.717 1.00 22.64 C +ATOM 1153 N LYS A 146 -2.345 30.478 78.517 1.00 17.78 N +ATOM 1154 CA LYS A 146 -1.450 30.496 77.377 1.00 19.33 C +ATOM 1155 C LYS A 146 -1.779 31.740 76.566 1.00 18.56 C +ATOM 1156 O LYS A 146 -2.950 32.113 76.431 1.00 19.88 O +ATOM 1157 CB LYS A 146 -1.625 29.261 76.498 1.00 21.09 C +ATOM 1158 CG LYS A 146 -1.212 27.978 77.182 1.00 25.21 C +ATOM 1159 CD LYS A 146 -0.754 26.942 76.163 1.00 31.05 C +ATOM 1160 CE LYS A 146 -1.872 26.520 75.237 1.00 35.22 C +ATOM 1161 NZ LYS A 146 -1.411 25.445 74.288 1.00 38.89 N +ATOM 1162 N TRP A 147 -0.733 32.365 76.048 1.00 17.64 N +ATOM 1163 CA TRP A 147 -0.870 33.552 75.216 1.00 17.10 C +ATOM 1164 C TRP A 147 -0.516 33.193 73.787 1.00 18.51 C +ATOM 1165 O TRP A 147 0.532 32.592 73.536 1.00 19.22 O +ATOM 1166 CB TRP A 147 0.093 34.653 75.676 1.00 16.90 C +ATOM 1167 CG TRP A 147 -0.342 35.350 76.903 1.00 14.82 C +ATOM 1168 CD1 TRP A 147 0.007 35.051 78.180 1.00 16.65 C +ATOM 1169 CD2 TRP A 147 -1.225 36.470 76.973 1.00 16.25 C +ATOM 1170 NE1 TRP A 147 -0.600 35.915 79.050 1.00 16.89 N +ATOM 1171 CE2 TRP A 147 -1.364 36.802 78.334 1.00 16.56 C +ATOM 1172 CE3 TRP A 147 -1.916 37.227 76.013 1.00 16.78 C +ATOM 1173 CZ2 TRP A 147 -2.166 37.865 78.773 1.00 15.99 C +ATOM 1174 CZ3 TRP A 147 -2.715 38.282 76.441 1.00 16.54 C +ATOM 1175 CH2 TRP A 147 -2.831 38.592 77.821 1.00 15.99 C +ATOM 1176 N LYS A 148 -1.379 33.570 72.852 1.00 17.88 N +ATOM 1177 CA LYS A 148 -1.125 33.306 71.455 1.00 16.25 C +ATOM 1178 C LYS A 148 -1.144 34.642 70.728 1.00 18.02 C +ATOM 1179 O LYS A 148 -1.981 35.502 71.005 1.00 17.42 O +ATOM 1180 CB LYS A 148 -2.188 32.350 70.909 1.00 19.27 C +ATOM 1181 CG LYS A 148 -2.097 30.977 71.587 1.00 21.20 C +ATOM 1182 CD LYS A 148 -3.129 29.966 71.094 1.00 27.42 C +ATOM 1183 CE LYS A 148 -2.943 28.614 71.811 1.00 27.94 C +ATOM 1184 NZ LYS A 148 -4.017 27.612 71.493 1.00 27.15 N +ATOM 1185 N ILE A 149 -0.172 34.833 69.847 1.00 19.01 N +ATOM 1186 CA ILE A 149 -0.065 36.044 69.054 1.00 17.02 C +ATOM 1187 C ILE A 149 -0.145 35.555 67.603 1.00 18.35 C +ATOM 1188 O ILE A 149 0.647 34.702 67.173 1.00 17.43 O +ATOM 1189 CB ILE A 149 1.271 36.777 69.327 1.00 18.49 C +ATOM 1190 CG1 ILE A 149 1.320 37.264 70.786 1.00 18.29 C +ATOM 1191 CG2 ILE A 149 1.408 37.979 68.393 1.00 15.77 C +ATOM 1192 CD1 ILE A 149 2.665 37.949 71.164 1.00 18.55 C +ATOM 1193 N ASP A 150 -1.129 36.066 66.868 1.00 16.87 N +ATOM 1194 CA ASP A 150 -1.343 35.650 65.499 1.00 20.88 C +ATOM 1195 C ASP A 150 -1.410 34.125 65.443 1.00 22.33 C +ATOM 1196 O ASP A 150 -0.916 33.500 64.501 1.00 21.36 O +ATOM 1197 CB ASP A 150 -0.232 36.188 64.594 1.00 20.39 C +ATOM 1198 CG ASP A 150 -0.462 37.626 64.213 1.00 22.47 C +ATOM 1199 OD1 ASP A 150 -1.612 38.082 64.379 1.00 21.56 O +ATOM 1200 OD2 ASP A 150 0.475 38.302 63.737 1.00 23.34 O +ATOM 1201 N GLY A 151 -2.011 33.548 66.489 1.00 23.42 N +ATOM 1202 CA GLY A 151 -2.200 32.111 66.578 1.00 24.51 C +ATOM 1203 C GLY A 151 -1.062 31.279 67.137 1.00 24.94 C +ATOM 1204 O GLY A 151 -1.249 30.089 67.375 1.00 26.43 O +ATOM 1205 N SER A 152 0.102 31.887 67.349 1.00 23.98 N +ATOM 1206 CA SER A 152 1.262 31.177 67.874 1.00 25.16 C +ATOM 1207 C SER A 152 1.499 31.476 69.339 1.00 24.95 C +ATOM 1208 O SER A 152 1.586 32.640 69.744 1.00 24.49 O +ATOM 1209 CB SER A 152 2.517 31.545 67.088 1.00 24.26 C +ATOM 1210 OG SER A 152 2.353 31.227 65.724 1.00 28.48 O +ATOM 1211 N GLU A 153 1.629 30.421 70.129 1.00 26.05 N +ATOM 1212 CA GLU A 153 1.857 30.590 71.553 1.00 27.23 C +ATOM 1213 C GLU A 153 3.150 31.338 71.769 1.00 27.88 C +ATOM 1214 O GLU A 153 4.095 31.198 70.991 1.00 26.95 O +ATOM 1215 CB GLU A 153 1.950 29.243 72.272 1.00 28.53 C +ATOM 1216 CG GLU A 153 2.190 29.409 73.778 1.00 31.06 C +ATOM 1217 CD GLU A 153 2.269 28.094 74.545 1.00 32.29 C +ATOM 1218 OE1 GLU A 153 2.460 28.156 75.787 1.00 32.50 O +ATOM 1219 OE2 GLU A 153 2.142 27.016 73.914 1.00 31.17 O +ATOM 1220 N ARG A 154 3.163 32.158 72.813 1.00 28.42 N +ATOM 1221 CA ARG A 154 4.342 32.917 73.196 1.00 29.99 C +ATOM 1222 C ARG A 154 4.454 32.784 74.705 1.00 30.38 C +ATOM 1223 O ARG A 154 3.469 32.985 75.422 1.00 30.55 O +ATOM 1224 CB ARG A 154 4.220 34.397 72.817 1.00 30.52 C +ATOM 1225 CG ARG A 154 5.283 35.239 73.540 1.00 32.70 C +ATOM 1226 CD ARG A 154 5.640 36.567 72.892 1.00 34.20 C +ATOM 1227 NE ARG A 154 6.598 37.282 73.737 1.00 35.79 N +ATOM 1228 CZ ARG A 154 7.229 38.408 73.404 1.00 37.92 C +ATOM 1229 NH1 ARG A 154 7.020 38.978 72.218 1.00 36.10 N +ATOM 1230 NH2 ARG A 154 8.070 38.972 74.269 1.00 38.64 N +ATOM 1231 N GLN A 155 5.638 32.433 75.192 1.00 30.54 N +ATOM 1232 CA GLN A 155 5.826 32.280 76.628 1.00 31.80 C +ATOM 1233 C GLN A 155 6.730 33.301 77.318 1.00 30.85 C +ATOM 1234 O GLN A 155 6.616 33.512 78.524 1.00 31.37 O +ATOM 1235 CB GLN A 155 6.318 30.873 76.934 1.00 33.28 C +ATOM 1236 CG GLN A 155 7.442 30.391 76.055 1.00 38.70 C +ATOM 1237 CD GLN A 155 7.895 29.000 76.461 1.00 41.12 C +ATOM 1238 OE1 GLN A 155 7.066 28.123 76.748 1.00 41.74 O +ATOM 1239 NE2 GLN A 155 9.210 28.786 76.492 1.00 42.51 N +ATOM 1240 N ASN A 156 7.609 33.954 76.566 1.00 30.25 N +ATOM 1241 CA ASN A 156 8.501 34.940 77.153 1.00 29.89 C +ATOM 1242 C ASN A 156 7.796 36.276 77.439 1.00 29.08 C +ATOM 1243 O ASN A 156 6.947 36.715 76.672 1.00 27.06 O +ATOM 1244 CB ASN A 156 9.703 35.153 76.226 1.00 33.47 C +ATOM 1245 CG ASN A 156 9.301 35.306 74.768 1.00 37.04 C +ATOM 1246 OD1 ASN A 156 8.514 34.510 74.235 1.00 39.86 O +ATOM 1247 ND2 ASN A 156 9.853 36.319 74.104 1.00 38.34 N +ATOM 1248 N GLY A 157 8.149 36.907 78.557 1.00 26.93 N +ATOM 1249 CA GLY A 157 7.555 38.180 78.902 1.00 26.81 C +ATOM 1250 C GLY A 157 6.194 38.057 79.568 1.00 25.66 C +ATOM 1251 O GLY A 157 5.437 39.026 79.611 1.00 25.84 O +ATOM 1252 N VAL A 158 5.876 36.873 80.081 1.00 25.55 N +ATOM 1253 CA VAL A 158 4.600 36.672 80.749 1.00 24.97 C +ATOM 1254 C VAL A 158 4.779 36.543 82.260 1.00 27.89 C +ATOM 1255 O VAL A 158 5.541 35.691 82.723 1.00 29.96 O +ATOM 1256 CB VAL A 158 3.897 35.386 80.282 1.00 25.58 C +ATOM 1257 CG1 VAL A 158 2.599 35.197 81.098 1.00 23.01 C +ATOM 1258 CG2 VAL A 158 3.592 35.448 78.781 1.00 24.26 C +ATOM 1259 N LEU A 159 4.094 37.388 83.027 1.00 27.25 N +ATOM 1260 CA LEU A 159 4.151 37.304 84.483 1.00 27.37 C +ATOM 1261 C LEU A 159 2.746 37.041 85.019 1.00 25.64 C +ATOM 1262 O LEU A 159 1.769 37.663 84.574 1.00 25.72 O +ATOM 1263 CB LEU A 159 4.710 38.589 85.078 1.00 27.74 C +ATOM 1264 CG LEU A 159 6.185 38.775 84.701 1.00 30.15 C +ATOM 1265 CD1 LEU A 159 6.679 40.099 85.194 1.00 29.17 C +ATOM 1266 CD2 LEU A 159 7.012 37.659 85.300 1.00 30.93 C +ATOM 1267 N ASN A 160 2.654 36.122 85.976 1.00 22.69 N +ATOM 1268 CA ASN A 160 1.376 35.765 86.566 1.00 21.24 C +ATOM 1269 C ASN A 160 1.329 36.025 88.063 1.00 20.39 C +ATOM 1270 O ASN A 160 2.342 35.941 88.760 1.00 19.68 O +ATOM 1271 CB ASN A 160 1.078 34.296 86.302 1.00 20.61 C +ATOM 1272 CG ASN A 160 1.007 33.977 84.823 1.00 20.56 C +ATOM 1273 OD1 ASN A 160 0.354 34.704 84.049 1.00 19.37 O +ATOM 1274 ND2 ASN A 160 1.657 32.874 84.416 1.00 19.65 N +ATOM 1275 N SER A 161 0.141 36.347 88.555 1.00 17.29 N +ATOM 1276 CA SER A 161 -0.026 36.605 89.971 1.00 17.11 C +ATOM 1277 C SER A 161 -1.399 36.149 90.436 1.00 16.63 C +ATOM 1278 O SER A 161 -2.405 36.516 89.837 1.00 15.26 O +ATOM 1279 CB SER A 161 0.125 38.100 90.264 1.00 16.74 C +ATOM 1280 OG SER A 161 -0.126 38.365 91.645 1.00 16.89 O +ATOM 1281 N TRP A 162 -1.425 35.329 91.489 1.00 17.04 N +ATOM 1282 CA TRP A 162 -2.689 34.844 92.079 1.00 18.13 C +ATOM 1283 C TRP A 162 -3.021 35.618 93.335 1.00 17.15 C +ATOM 1284 O TRP A 162 -2.132 35.921 94.120 1.00 16.17 O +ATOM 1285 CB TRP A 162 -2.578 33.384 92.534 1.00 18.93 C +ATOM 1286 CG TRP A 162 -2.805 32.356 91.499 1.00 22.57 C +ATOM 1287 CD1 TRP A 162 -3.900 31.532 91.383 1.00 23.75 C +ATOM 1288 CD2 TRP A 162 -1.883 31.940 90.493 1.00 24.56 C +ATOM 1289 NE1 TRP A 162 -3.700 30.621 90.370 1.00 23.60 N +ATOM 1290 CE2 TRP A 162 -2.473 30.848 89.808 1.00 25.68 C +ATOM 1291 CE3 TRP A 162 -0.613 32.378 90.104 1.00 25.37 C +ATOM 1292 CZ2 TRP A 162 -1.831 30.187 88.755 1.00 28.28 C +ATOM 1293 CZ3 TRP A 162 0.027 31.717 89.051 1.00 28.28 C +ATOM 1294 CH2 TRP A 162 -0.586 30.634 88.392 1.00 27.96 C +ATOM 1295 N THR A 163 -4.300 35.909 93.549 1.00 17.53 N +ATOM 1296 CA THR A 163 -4.720 36.567 94.784 1.00 17.59 C +ATOM 1297 C THR A 163 -4.799 35.481 95.864 1.00 19.72 C +ATOM 1298 O THR A 163 -4.695 34.273 95.575 1.00 17.34 O +ATOM 1299 CB THR A 163 -6.136 37.126 94.671 1.00 19.00 C +ATOM 1300 OG1 THR A 163 -7.031 36.053 94.317 1.00 21.05 O +ATOM 1301 CG2 THR A 163 -6.210 38.202 93.596 1.00 19.69 C +ATOM 1302 N ASP A 164 -4.960 35.921 97.114 1.00 19.26 N +ATOM 1303 CA ASP A 164 -5.168 34.985 98.205 1.00 19.95 C +ATOM 1304 C ASP A 164 -6.629 34.598 98.004 1.00 18.99 C +ATOM 1305 O ASP A 164 -7.356 35.292 97.302 1.00 18.61 O +ATOM 1306 CB ASP A 164 -5.030 35.693 99.546 1.00 22.41 C +ATOM 1307 CG ASP A 164 -3.603 36.049 99.854 1.00 24.44 C +ATOM 1308 OD1 ASP A 164 -3.305 37.251 100.042 1.00 27.45 O +ATOM 1309 OD2 ASP A 164 -2.782 35.113 99.897 1.00 27.43 O +ATOM 1310 N GLN A 165 -7.055 33.507 98.621 1.00 18.30 N +ATOM 1311 CA GLN A 165 -8.436 33.084 98.495 1.00 18.82 C +ATOM 1312 C GLN A 165 -9.373 34.209 98.989 1.00 18.44 C +ATOM 1313 O GLN A 165 -8.998 34.987 99.869 1.00 17.63 O +ATOM 1314 CB GLN A 165 -8.615 31.807 99.314 1.00 18.41 C +ATOM 1315 CG GLN A 165 -9.872 31.080 99.012 1.00 21.21 C +ATOM 1316 CD GLN A 165 -9.931 29.717 99.668 1.00 22.21 C +ATOM 1317 OE1 GLN A 165 -10.715 28.864 99.245 1.00 22.12 O +ATOM 1318 NE2 GLN A 165 -9.119 29.503 100.717 1.00 19.99 N +ATOM 1319 N ASP A 166 -10.578 34.299 98.420 1.00 18.86 N +ATOM 1320 CA ASP A 166 -11.549 35.337 98.810 1.00 21.57 C +ATOM 1321 C ASP A 166 -12.216 34.986 100.155 1.00 20.42 C +ATOM 1322 O ASP A 166 -12.653 33.857 100.351 1.00 20.42 O +ATOM 1323 CB ASP A 166 -12.627 35.484 97.723 1.00 21.52 C +ATOM 1324 CG ASP A 166 -13.554 36.668 97.974 1.00 24.64 C +ATOM 1325 OD1 ASP A 166 -13.150 37.815 97.685 1.00 27.13 O +ATOM 1326 OD2 ASP A 166 -14.677 36.464 98.476 1.00 24.31 O +ATOM 1327 N SER A 167 -12.303 35.956 101.063 1.00 20.61 N +ATOM 1328 CA SER A 167 -12.887 35.741 102.387 1.00 23.16 C +ATOM 1329 C SER A 167 -14.386 35.487 102.373 1.00 22.64 C +ATOM 1330 O SER A 167 -14.948 35.016 103.358 1.00 21.25 O +ATOM 1331 CB SER A 167 -12.594 36.939 103.302 1.00 22.50 C +ATOM 1332 OG SER A 167 -11.215 36.977 103.666 1.00 27.20 O +ATOM 1333 N LYS A 168 -15.023 35.783 101.248 1.00 24.80 N +ATOM 1334 CA LYS A 168 -16.461 35.595 101.131 1.00 27.32 C +ATOM 1335 C LYS A 168 -16.907 34.424 100.260 1.00 26.81 C +ATOM 1336 O LYS A 168 -17.779 33.653 100.668 1.00 27.64 O +ATOM 1337 CB LYS A 168 -17.106 36.881 100.606 1.00 31.01 C +ATOM 1338 CG LYS A 168 -18.616 36.812 100.507 1.00 35.57 C +ATOM 1339 CD LYS A 168 -19.226 36.307 101.820 1.00 39.43 C +ATOM 1340 CE LYS A 168 -20.750 36.369 101.782 1.00 40.96 C +ATOM 1341 NZ LYS A 168 -21.283 35.651 100.592 1.00 42.75 N +ATOM 1342 N ASP A 169 -16.350 34.288 99.057 1.00 24.86 N +ATOM 1343 CA ASP A 169 -16.774 33.178 98.202 1.00 22.09 C +ATOM 1344 C ASP A 169 -15.766 32.039 98.044 1.00 20.71 C +ATOM 1345 O ASP A 169 -16.013 31.074 97.306 1.00 21.68 O +ATOM 1346 CB ASP A 169 -17.245 33.692 96.824 1.00 22.14 C +ATOM 1347 CG ASP A 169 -16.115 34.230 95.957 1.00 23.52 C +ATOM 1348 OD1 ASP A 169 -16.424 34.912 94.950 1.00 26.47 O +ATOM 1349 OD2 ASP A 169 -14.931 33.982 96.258 1.00 22.74 O +ATOM 1350 N SER A 170 -14.638 32.149 98.742 1.00 18.38 N +ATOM 1351 CA SER A 170 -13.609 31.111 98.727 1.00 17.78 C +ATOM 1352 C SER A 170 -12.988 30.809 97.364 1.00 18.10 C +ATOM 1353 O SER A 170 -12.433 29.733 97.157 1.00 17.04 O +ATOM 1354 CB SER A 170 -14.165 29.809 99.314 1.00 16.87 C +ATOM 1355 OG SER A 170 -14.695 30.029 100.611 1.00 18.62 O +ATOM 1356 N THR A 171 -13.082 31.757 96.440 1.00 16.76 N +ATOM 1357 CA THR A 171 -12.489 31.568 95.133 1.00 17.32 C +ATOM 1358 C THR A 171 -11.134 32.281 95.056 1.00 16.63 C +ATOM 1359 O THR A 171 -10.738 33.019 95.967 1.00 18.40 O +ATOM 1360 CB THR A 171 -13.391 32.137 93.992 1.00 18.74 C +ATOM 1361 OG1 THR A 171 -13.493 33.561 94.119 1.00 18.70 O +ATOM 1362 CG2 THR A 171 -14.792 31.513 94.029 1.00 19.44 C +ATOM 1363 N TYR A 172 -10.412 32.001 93.982 1.00 15.58 N +ATOM 1364 CA TYR A 172 -9.136 32.637 93.700 1.00 16.65 C +ATOM 1365 C TYR A 172 -9.338 33.433 92.416 1.00 18.35 C +ATOM 1366 O TYR A 172 -10.324 33.245 91.713 1.00 19.61 O +ATOM 1367 CB TYR A 172 -8.051 31.591 93.427 1.00 16.09 C +ATOM 1368 CG TYR A 172 -7.717 30.719 94.628 1.00 14.27 C +ATOM 1369 CD1 TYR A 172 -8.394 29.528 94.869 1.00 15.75 C +ATOM 1370 CD2 TYR A 172 -6.755 31.126 95.532 1.00 17.12 C +ATOM 1371 CE1 TYR A 172 -8.112 28.751 96.000 1.00 17.24 C +ATOM 1372 CE2 TYR A 172 -6.462 30.387 96.650 1.00 19.53 C +ATOM 1373 CZ TYR A 172 -7.135 29.203 96.891 1.00 20.66 C +ATOM 1374 OH TYR A 172 -6.827 28.527 98.043 1.00 22.50 O +ATOM 1375 N SER A 173 -8.378 34.299 92.112 1.00 17.05 N +ATOM 1376 CA SER A 173 -8.368 35.071 90.881 1.00 15.95 C +ATOM 1377 C SER A 173 -6.877 35.152 90.526 1.00 17.53 C +ATOM 1378 O SER A 173 -6.018 35.026 91.404 1.00 15.61 O +ATOM 1379 CB SER A 173 -8.954 36.476 91.098 1.00 20.25 C +ATOM 1380 OG SER A 173 -10.341 36.406 91.371 1.00 19.70 O +ATOM 1381 N MET A 174 -6.571 35.338 89.251 1.00 14.92 N +ATOM 1382 CA MET A 174 -5.193 35.390 88.813 1.00 17.02 C +ATOM 1383 C MET A 174 -5.122 36.397 87.683 1.00 19.41 C +ATOM 1384 O MET A 174 -6.089 36.560 86.925 1.00 19.05 O +ATOM 1385 CB MET A 174 -4.772 34.014 88.295 1.00 18.54 C +ATOM 1386 CG MET A 174 -3.271 33.802 88.146 1.00 25.45 C +ATOM 1387 SD MET A 174 -2.911 32.801 86.680 1.00 34.16 S +ATOM 1388 CE MET A 174 -3.599 33.948 85.527 1.00 26.16 C +ATOM 1389 N SER A 175 -3.973 37.062 87.573 1.00 17.52 N +ATOM 1390 CA SER A 175 -3.729 38.043 86.529 1.00 19.36 C +ATOM 1391 C SER A 175 -2.568 37.515 85.692 1.00 19.08 C +ATOM 1392 O SER A 175 -1.615 36.937 86.232 1.00 16.40 O +ATOM 1393 CB SER A 175 -3.321 39.383 87.151 1.00 20.96 C +ATOM 1394 OG SER A 175 -3.420 40.435 86.213 1.00 27.14 O +ATOM 1395 N SER A 176 -2.670 37.678 84.374 1.00 15.95 N +ATOM 1396 CA SER A 176 -1.602 37.275 83.494 1.00 16.94 C +ATOM 1397 C SER A 176 -1.300 38.486 82.623 1.00 15.72 C +ATOM 1398 O SER A 176 -2.171 39.016 81.919 1.00 15.54 O +ATOM 1399 CB SER A 176 -1.981 36.078 82.632 1.00 15.78 C +ATOM 1400 OG SER A 176 -0.827 35.622 81.936 1.00 18.54 O +ATOM 1401 N THR A 177 -0.056 38.929 82.692 1.00 17.70 N +ATOM 1402 CA THR A 177 0.361 40.097 81.942 1.00 16.79 C +ATOM 1403 C THR A 177 1.505 39.767 80.988 1.00 16.73 C +ATOM 1404 O THR A 177 2.556 39.265 81.389 1.00 16.93 O +ATOM 1405 CB THR A 177 0.811 41.236 82.889 1.00 18.81 C +ATOM 1406 OG1 THR A 177 -0.279 41.599 83.751 1.00 20.10 O +ATOM 1407 CG2 THR A 177 1.226 42.482 82.069 1.00 18.12 C +ATOM 1408 N LEU A 178 1.270 40.076 79.717 1.00 16.98 N +ATOM 1409 CA LEU A 178 2.238 39.854 78.658 1.00 16.08 C +ATOM 1410 C LEU A 178 2.820 41.193 78.255 1.00 16.23 C +ATOM 1411 O LEU A 178 2.082 42.093 77.840 1.00 16.51 O +ATOM 1412 CB LEU A 178 1.556 39.230 77.450 1.00 16.57 C +ATOM 1413 CG LEU A 178 2.417 39.181 76.175 1.00 17.03 C +ATOM 1414 CD1 LEU A 178 3.582 38.235 76.385 1.00 18.58 C +ATOM 1415 CD2 LEU A 178 1.565 38.696 75.001 1.00 17.87 C +ATOM 1416 N THR A 179 4.135 41.344 78.376 1.00 17.18 N +ATOM 1417 CA THR A 179 4.771 42.608 77.994 1.00 17.82 C +ATOM 1418 C THR A 179 5.662 42.485 76.759 1.00 19.94 C +ATOM 1419 O THR A 179 6.527 41.615 76.705 1.00 20.20 O +ATOM 1420 CB THR A 179 5.615 43.163 79.138 1.00 20.96 C +ATOM 1421 OG1 THR A 179 4.786 43.293 80.302 1.00 22.73 O +ATOM 1422 CG2 THR A 179 6.166 44.554 78.776 1.00 20.95 C +ATOM 1423 N LEU A 180 5.443 43.384 75.793 1.00 20.31 N +ATOM 1424 CA LEU A 180 6.180 43.438 74.523 1.00 21.18 C +ATOM 1425 C LEU A 180 6.626 44.855 74.288 1.00 21.32 C +ATOM 1426 O LEU A 180 6.128 45.788 74.931 1.00 21.72 O +ATOM 1427 CB LEU A 180 5.288 43.168 73.303 1.00 24.92 C +ATOM 1428 CG LEU A 180 4.353 42.010 73.046 1.00 27.65 C +ATOM 1429 CD1 LEU A 180 5.070 40.759 73.424 1.00 29.57 C +ATOM 1430 CD2 LEU A 180 3.067 42.187 73.836 1.00 29.69 C +ATOM 1431 N THR A 181 7.511 45.022 73.308 1.00 19.98 N +ATOM 1432 CA THR A 181 7.938 46.358 72.925 1.00 20.42 C +ATOM 1433 C THR A 181 6.853 46.849 71.962 1.00 19.23 C +ATOM 1434 O THR A 181 6.106 46.047 71.410 1.00 20.25 O +ATOM 1435 CB THR A 181 9.300 46.344 72.184 1.00 20.18 C +ATOM 1436 OG1 THR A 181 9.193 45.553 70.997 1.00 21.27 O +ATOM 1437 CG2 THR A 181 10.382 45.740 73.075 1.00 23.43 C +ATOM 1438 N LYS A 182 6.758 48.153 71.763 1.00 19.83 N +ATOM 1439 CA LYS A 182 5.764 48.682 70.848 1.00 21.48 C +ATOM 1440 C LYS A 182 6.080 48.138 69.451 1.00 20.98 C +ATOM 1441 O LYS A 182 5.179 47.695 68.740 1.00 20.37 O +ATOM 1442 CB LYS A 182 5.789 50.219 70.848 1.00 23.69 C +ATOM 1443 CG LYS A 182 4.858 50.868 69.819 1.00 26.58 C +ATOM 1444 CD LYS A 182 4.654 52.359 70.113 1.00 28.76 C +ATOM 1445 CE LYS A 182 5.835 53.210 69.685 1.00 30.32 C +ATOM 1446 NZ LYS A 182 5.863 53.416 68.207 1.00 32.10 N +ATOM 1447 N ASP A 183 7.356 48.161 69.069 1.00 20.11 N +ATOM 1448 CA ASP A 183 7.768 47.657 67.751 1.00 20.11 C +ATOM 1449 C ASP A 183 7.285 46.222 67.486 1.00 18.81 C +ATOM 1450 O ASP A 183 6.864 45.905 66.385 1.00 19.19 O +ATOM 1451 CB ASP A 183 9.300 47.696 67.603 1.00 23.09 C +ATOM 1452 CG ASP A 183 9.845 49.111 67.416 1.00 23.68 C +ATOM 1453 OD1 ASP A 183 9.055 50.063 67.462 1.00 25.77 O +ATOM 1454 OD2 ASP A 183 11.070 49.266 67.228 1.00 26.76 O +ATOM 1455 N GLU A 184 7.349 45.351 68.482 1.00 19.25 N +ATOM 1456 CA GLU A 184 6.895 43.970 68.267 1.00 19.89 C +ATOM 1457 C GLU A 184 5.361 43.903 68.302 1.00 19.46 C +ATOM 1458 O GLU A 184 4.736 43.215 67.466 1.00 17.58 O +ATOM 1459 CB GLU A 184 7.527 43.043 69.316 1.00 20.53 C +ATOM 1460 CG GLU A 184 7.210 41.559 69.180 1.00 22.19 C +ATOM 1461 CD GLU A 184 7.528 40.934 67.798 1.00 20.31 C +ATOM 1462 OE1 GLU A 184 8.505 41.308 67.125 1.00 21.03 O +ATOM 1463 OE2 GLU A 184 6.783 40.027 67.418 1.00 23.20 O +ATOM 1464 N TYR A 185 4.750 44.644 69.234 1.00 18.62 N +ATOM 1465 CA TYR A 185 3.288 44.678 69.348 1.00 19.28 C +ATOM 1466 C TYR A 185 2.688 45.091 68.000 1.00 19.95 C +ATOM 1467 O TYR A 185 1.682 44.534 67.547 1.00 17.37 O +ATOM 1468 CB TYR A 185 2.876 45.676 70.444 1.00 19.47 C +ATOM 1469 CG TYR A 185 1.385 45.848 70.636 1.00 17.83 C +ATOM 1470 CD1 TYR A 185 0.583 44.784 71.061 1.00 20.93 C +ATOM 1471 CD2 TYR A 185 0.773 47.067 70.366 1.00 18.81 C +ATOM 1472 CE1 TYR A 185 -0.801 44.939 71.201 1.00 17.82 C +ATOM 1473 CE2 TYR A 185 -0.599 47.234 70.503 1.00 18.90 C +ATOM 1474 CZ TYR A 185 -1.377 46.172 70.916 1.00 17.63 C +ATOM 1475 OH TYR A 185 -2.737 46.335 71.009 1.00 18.49 O +ATOM 1476 N GLU A 186 3.331 46.044 67.341 1.00 17.92 N +ATOM 1477 CA GLU A 186 2.828 46.514 66.061 1.00 20.63 C +ATOM 1478 C GLU A 186 3.066 45.613 64.846 1.00 19.71 C +ATOM 1479 O GLU A 186 2.705 45.976 63.731 1.00 21.00 O +ATOM 1480 CB GLU A 186 3.390 47.908 65.788 1.00 20.92 C +ATOM 1481 CG GLU A 186 2.822 48.939 66.756 1.00 22.36 C +ATOM 1482 CD GLU A 186 3.342 50.329 66.499 1.00 26.63 C +ATOM 1483 OE1 GLU A 186 2.664 51.285 66.930 1.00 27.94 O +ATOM 1484 OE2 GLU A 186 4.420 50.459 65.878 1.00 25.29 O +ATOM 1485 N ARG A 187 3.667 44.448 65.045 1.00 19.83 N +ATOM 1486 CA ARG A 187 3.930 43.534 63.924 1.00 19.73 C +ATOM 1487 C ARG A 187 2.917 42.445 63.819 1.00 19.47 C +ATOM 1488 O ARG A 187 2.928 41.663 62.861 1.00 20.32 O +ATOM 1489 CB ARG A 187 5.274 42.837 64.087 1.00 22.78 C +ATOM 1490 CG ARG A 187 6.418 43.669 63.703 1.00 21.79 C +ATOM 1491 CD ARG A 187 7.739 43.043 64.109 1.00 19.65 C +ATOM 1492 NE ARG A 187 8.727 44.109 64.045 1.00 19.43 N +ATOM 1493 CZ ARG A 187 9.809 44.205 64.812 1.00 17.21 C +ATOM 1494 NH1 ARG A 187 10.616 45.234 64.642 1.00 16.56 N +ATOM 1495 NH2 ARG A 187 10.086 43.293 65.732 1.00 18.02 N +ATOM 1496 N HIS A 188 2.055 42.353 64.820 1.00 18.28 N +ATOM 1497 CA HIS A 188 1.072 41.296 64.835 1.00 18.83 C +ATOM 1498 C HIS A 188 -0.306 41.877 65.062 1.00 17.49 C +ATOM 1499 O HIS A 188 -0.425 43.018 65.502 1.00 18.66 O +ATOM 1500 CB HIS A 188 1.484 40.290 65.914 1.00 17.82 C +ATOM 1501 CG HIS A 188 2.832 39.672 65.661 1.00 19.16 C +ATOM 1502 ND1 HIS A 188 3.045 38.751 64.655 1.00 19.02 N +ATOM 1503 CD2 HIS A 188 4.040 39.877 66.245 1.00 18.18 C +ATOM 1504 CE1 HIS A 188 4.325 38.418 64.627 1.00 20.36 C +ATOM 1505 NE2 HIS A 188 4.953 39.086 65.579 1.00 15.67 N +ATOM 1506 N ASN A 189 -1.343 41.103 64.759 1.00 17.95 N +ATOM 1507 CA ASN A 189 -2.702 41.595 64.907 1.00 20.52 C +ATOM 1508 C ASN A 189 -3.525 40.954 66.012 1.00 20.52 C +ATOM 1509 O ASN A 189 -4.142 41.650 66.815 1.00 18.45 O +ATOM 1510 CB ASN A 189 -3.455 41.444 63.573 1.00 21.85 C +ATOM 1511 CG ASN A 189 -4.772 42.204 63.557 1.00 23.69 C +ATOM 1512 OD1 ASN A 189 -5.816 41.669 63.154 1.00 24.77 O +ATOM 1513 ND2 ASN A 189 -4.730 43.456 63.986 1.00 22.61 N +ATOM 1514 N SER A 190 -3.510 39.627 66.050 1.00 19.75 N +ATOM 1515 CA SER A 190 -4.288 38.846 67.004 1.00 20.58 C +ATOM 1516 C SER A 190 -3.596 38.589 68.349 1.00 17.95 C +ATOM 1517 O SER A 190 -2.480 38.047 68.389 1.00 16.95 O +ATOM 1518 CB SER A 190 -4.637 37.503 66.330 1.00 23.54 C +ATOM 1519 OG SER A 190 -5.810 36.935 66.880 1.00 29.92 O +ATOM 1520 N TYR A 191 -4.253 38.980 69.444 1.00 16.94 N +ATOM 1521 CA TYR A 191 -3.739 38.747 70.805 1.00 14.42 C +ATOM 1522 C TYR A 191 -4.784 37.946 71.592 1.00 15.33 C +ATOM 1523 O TYR A 191 -5.909 38.402 71.836 1.00 12.96 O +ATOM 1524 CB TYR A 191 -3.433 40.085 71.472 1.00 14.36 C +ATOM 1525 CG TYR A 191 -2.218 40.725 70.853 1.00 13.97 C +ATOM 1526 CD1 TYR A 191 -0.948 40.500 71.382 1.00 15.60 C +ATOM 1527 CD2 TYR A 191 -2.327 41.485 69.685 1.00 15.49 C +ATOM 1528 CE1 TYR A 191 0.190 41.010 70.766 1.00 12.95 C +ATOM 1529 CE2 TYR A 191 -1.193 42.012 69.057 1.00 14.96 C +ATOM 1530 CZ TYR A 191 0.062 41.760 69.611 1.00 16.59 C +ATOM 1531 OH TYR A 191 1.195 42.226 68.996 1.00 16.01 O +ATOM 1532 N THR A 192 -4.377 36.761 72.029 1.00 16.21 N +ATOM 1533 CA THR A 192 -5.280 35.844 72.704 1.00 16.99 C +ATOM 1534 C THR A 192 -4.764 35.302 74.034 1.00 16.81 C +ATOM 1535 O THR A 192 -3.594 34.940 74.158 1.00 14.83 O +ATOM 1536 CB THR A 192 -5.587 34.646 71.749 1.00 17.14 C +ATOM 1537 OG1 THR A 192 -6.275 35.123 70.574 1.00 16.87 O +ATOM 1538 CG2 THR A 192 -6.452 33.598 72.445 1.00 18.90 C +ATOM 1539 N CYS A 193 -5.675 35.265 75.011 1.00 16.05 N +ATOM 1540 CA CYS A 193 -5.438 34.757 76.358 1.00 17.20 C +ATOM 1541 C CYS A 193 -6.328 33.499 76.426 1.00 15.00 C +ATOM 1542 O CYS A 193 -7.519 33.598 76.221 1.00 16.11 O +ATOM 1543 CB CYS A 193 -5.932 35.806 77.391 1.00 17.29 C +ATOM 1544 SG CYS A 193 -5.896 35.187 79.078 1.00 27.88 S +ATOM 1545 N GLU A 194 -5.773 32.316 76.688 1.00 17.35 N +ATOM 1546 CA GLU A 194 -6.600 31.101 76.773 1.00 16.19 C +ATOM 1547 C GLU A 194 -6.450 30.473 78.140 1.00 16.48 C +ATOM 1548 O GLU A 194 -5.343 30.164 78.563 1.00 16.78 O +ATOM 1549 CB GLU A 194 -6.186 30.060 75.721 1.00 19.50 C +ATOM 1550 CG GLU A 194 -6.376 30.479 74.281 1.00 21.41 C +ATOM 1551 CD GLU A 194 -6.221 29.307 73.320 1.00 25.48 C +ATOM 1552 OE1 GLU A 194 -6.286 29.528 72.097 1.00 27.22 O +ATOM 1553 OE2 GLU A 194 -6.041 28.161 73.791 1.00 26.46 O +ATOM 1554 N ALA A 195 -7.560 30.271 78.826 1.00 15.80 N +ATOM 1555 CA ALA A 195 -7.501 29.689 80.156 1.00 17.79 C +ATOM 1556 C ALA A 195 -8.002 28.254 80.198 1.00 17.42 C +ATOM 1557 O ALA A 195 -9.115 27.973 79.771 1.00 18.00 O +ATOM 1558 CB ALA A 195 -8.311 30.530 81.123 1.00 17.76 C +ATOM 1559 N THR A 196 -7.185 27.357 80.736 1.00 16.81 N +ATOM 1560 CA THR A 196 -7.592 25.960 80.873 1.00 17.53 C +ATOM 1561 C THR A 196 -7.663 25.632 82.347 1.00 15.47 C +ATOM 1562 O THR A 196 -6.673 25.710 83.075 1.00 14.06 O +ATOM 1563 CB THR A 196 -6.619 25.022 80.185 1.00 18.07 C +ATOM 1564 OG1 THR A 196 -6.529 25.399 78.815 1.00 17.71 O +ATOM 1565 CG2 THR A 196 -7.123 23.575 80.257 1.00 20.61 C +ATOM 1566 N HIS A 197 -8.867 25.273 82.781 1.00 16.37 N +ATOM 1567 CA HIS A 197 -9.113 24.966 84.177 1.00 16.05 C +ATOM 1568 C HIS A 197 -9.880 23.647 84.232 1.00 16.64 C +ATOM 1569 O HIS A 197 -10.601 23.310 83.277 1.00 17.82 O +ATOM 1570 CB HIS A 197 -9.921 26.108 84.751 1.00 14.55 C +ATOM 1571 CG HIS A 197 -10.102 26.028 86.218 1.00 14.87 C +ATOM 1572 ND1 HIS A 197 -11.317 25.726 86.792 1.00 14.96 N +ATOM 1573 CD2 HIS A 197 -9.240 26.258 87.235 1.00 11.81 C +ATOM 1574 CE1 HIS A 197 -11.193 25.778 88.106 1.00 15.86 C +ATOM 1575 NE2 HIS A 197 -9.945 26.096 88.400 1.00 11.99 N +ATOM 1576 N LYS A 198 -9.754 22.905 85.328 1.00 15.55 N +ATOM 1577 CA LYS A 198 -10.417 21.596 85.396 1.00 16.17 C +ATOM 1578 C LYS A 198 -11.933 21.606 85.234 1.00 17.86 C +ATOM 1579 O LYS A 198 -12.538 20.547 84.990 1.00 19.27 O +ATOM 1580 CB LYS A 198 -10.038 20.854 86.700 1.00 16.68 C +ATOM 1581 CG LYS A 198 -10.771 21.316 87.968 1.00 18.97 C +ATOM 1582 CD LYS A 198 -10.360 20.520 89.226 1.00 20.93 C +ATOM 1583 CE LYS A 198 -10.941 19.085 89.222 1.00 23.83 C +ATOM 1584 NZ LYS A 198 -10.565 18.323 90.435 1.00 28.60 N +ATOM 1585 N THR A 199 -12.556 22.774 85.357 1.00 16.01 N +ATOM 1586 CA THR A 199 -14.015 22.878 85.200 1.00 18.06 C +ATOM 1587 C THR A 199 -14.512 22.655 83.768 1.00 17.66 C +ATOM 1588 O THR A 199 -15.715 22.463 83.532 1.00 19.07 O +ATOM 1589 CB THR A 199 -14.542 24.224 85.731 1.00 17.93 C +ATOM 1590 OG1 THR A 199 -13.775 25.306 85.188 1.00 17.43 O +ATOM 1591 CG2 THR A 199 -14.427 24.249 87.259 1.00 16.67 C +ATOM 1592 N SER A 200 -13.609 22.693 82.802 1.00 17.68 N +ATOM 1593 CA SER A 200 -14.033 22.391 81.436 1.00 18.52 C +ATOM 1594 C SER A 200 -12.877 21.883 80.610 1.00 18.03 C +ATOM 1595 O SER A 200 -11.740 22.304 80.816 1.00 19.34 O +ATOM 1596 CB SER A 200 -14.644 23.614 80.749 1.00 17.18 C +ATOM 1597 OG SER A 200 -15.009 23.279 79.423 1.00 17.52 O +ATOM 1598 N THR A 201 -13.160 20.957 79.697 1.00 17.78 N +ATOM 1599 CA THR A 201 -12.123 20.439 78.818 1.00 16.88 C +ATOM 1600 C THR A 201 -11.906 21.467 77.716 1.00 17.81 C +ATOM 1601 O THR A 201 -10.944 21.385 76.969 1.00 19.86 O +ATOM 1602 CB THR A 201 -12.498 19.076 78.164 1.00 18.26 C +ATOM 1603 OG1 THR A 201 -13.617 19.257 77.290 1.00 16.84 O +ATOM 1604 CG2 THR A 201 -12.841 18.041 79.211 1.00 16.72 C +ATOM 1605 N SER A 202 -12.799 22.446 77.637 1.00 17.98 N +ATOM 1606 CA SER A 202 -12.692 23.524 76.651 1.00 21.05 C +ATOM 1607 C SER A 202 -12.023 24.757 77.283 1.00 18.09 C +ATOM 1608 O SER A 202 -12.491 25.269 78.305 1.00 19.83 O +ATOM 1609 CB SER A 202 -14.075 23.971 76.165 1.00 20.90 C +ATOM 1610 OG SER A 202 -14.773 22.964 75.455 1.00 23.28 O +ATOM 1611 N PRO A 203 -10.935 25.248 76.681 1.00 19.07 N +ATOM 1612 CA PRO A 203 -10.288 26.437 77.259 1.00 18.99 C +ATOM 1613 C PRO A 203 -11.212 27.641 77.052 1.00 18.52 C +ATOM 1614 O PRO A 203 -12.024 27.661 76.113 1.00 20.43 O +ATOM 1615 CB PRO A 203 -8.993 26.576 76.444 1.00 16.69 C +ATOM 1616 CG PRO A 203 -8.740 25.178 75.952 1.00 19.52 C +ATOM 1617 CD PRO A 203 -10.115 24.664 75.608 1.00 18.58 C +ATOM 1618 N ILE A 204 -11.113 28.624 77.939 1.00 17.17 N +ATOM 1619 CA ILE A 204 -11.907 29.832 77.815 1.00 17.12 C +ATOM 1620 C ILE A 204 -10.964 30.753 77.071 1.00 16.34 C +ATOM 1621 O ILE A 204 -9.856 31.002 77.537 1.00 16.88 O +ATOM 1622 CB ILE A 204 -12.262 30.411 79.193 1.00 17.60 C +ATOM 1623 CG1 ILE A 204 -13.092 29.386 79.964 1.00 18.85 C +ATOM 1624 CG2 ILE A 204 -13.072 31.713 79.019 1.00 20.40 C +ATOM 1625 CD1 ILE A 204 -13.453 29.787 81.385 1.00 19.85 C +ATOM 1626 N VAL A 205 -11.397 31.227 75.910 1.00 16.43 N +ATOM 1627 CA VAL A 205 -10.571 32.067 75.066 1.00 17.88 C +ATOM 1628 C VAL A 205 -11.094 33.488 74.937 1.00 18.74 C +ATOM 1629 O VAL A 205 -12.284 33.703 74.680 1.00 20.54 O +ATOM 1630 CB VAL A 205 -10.457 31.416 73.661 1.00 19.76 C +ATOM 1631 CG1 VAL A 205 -9.809 32.356 72.660 1.00 20.64 C +ATOM 1632 CG2 VAL A 205 -9.627 30.114 73.780 1.00 20.42 C +ATOM 1633 N LYS A 206 -10.207 34.455 75.147 1.00 17.23 N +ATOM 1634 CA LYS A 206 -10.562 35.855 74.978 1.00 15.28 C +ATOM 1635 C LYS A 206 -9.467 36.446 74.124 1.00 15.71 C +ATOM 1636 O LYS A 206 -8.288 36.144 74.303 1.00 16.24 O +ATOM 1637 CB LYS A 206 -10.611 36.609 76.310 1.00 16.33 C +ATOM 1638 CG LYS A 206 -11.710 36.153 77.256 1.00 19.07 C +ATOM 1639 CD LYS A 206 -13.104 36.375 76.660 1.00 21.97 C +ATOM 1640 CE LYS A 206 -14.178 35.856 77.605 1.00 24.46 C +ATOM 1641 NZ LYS A 206 -15.530 36.260 77.138 1.00 30.17 N +ATOM 1642 N SER A 207 -9.844 37.320 73.208 1.00 16.95 N +ATOM 1643 CA SER A 207 -8.858 37.917 72.342 1.00 18.83 C +ATOM 1644 C SER A 207 -9.322 39.246 71.781 1.00 18.12 C +ATOM 1645 O SER A 207 -10.479 39.648 71.948 1.00 18.09 O +ATOM 1646 CB SER A 207 -8.564 36.987 71.177 1.00 22.69 C +ATOM 1647 OG SER A 207 -9.688 36.935 70.331 1.00 29.08 O +ATOM 1648 N PHE A 208 -8.390 39.932 71.138 1.00 17.42 N +ATOM 1649 CA PHE A 208 -8.683 41.188 70.485 1.00 17.30 C +ATOM 1650 C PHE A 208 -7.726 41.317 69.311 1.00 18.53 C +ATOM 1651 O PHE A 208 -6.651 40.712 69.294 1.00 19.10 O +ATOM 1652 CB PHE A 208 -8.565 42.399 71.441 1.00 18.80 C +ATOM 1653 CG PHE A 208 -7.148 42.773 71.808 1.00 18.79 C +ATOM 1654 CD1 PHE A 208 -6.547 42.242 72.945 1.00 18.09 C +ATOM 1655 CD2 PHE A 208 -6.413 43.643 71.002 1.00 15.66 C +ATOM 1656 CE1 PHE A 208 -5.212 42.574 73.277 1.00 19.31 C +ATOM 1657 CE2 PHE A 208 -5.103 43.980 71.310 1.00 18.82 C +ATOM 1658 CZ PHE A 208 -4.491 43.438 72.462 1.00 17.67 C +ATOM 1659 N ASN A 209 -8.144 42.090 68.318 1.00 18.37 N +ATOM 1660 CA ASN A 209 -7.341 42.305 67.122 1.00 18.44 C +ATOM 1661 C ASN A 209 -7.002 43.781 67.051 1.00 17.10 C +ATOM 1662 O ASN A 209 -7.871 44.645 67.185 1.00 17.24 O +ATOM 1663 CB ASN A 209 -8.118 41.884 65.871 1.00 19.53 C +ATOM 1664 CG ASN A 209 -8.409 40.383 65.843 1.00 21.87 C +ATOM 1665 OD1 ASN A 209 -7.547 39.551 66.167 1.00 20.97 O +ATOM 1666 ND2 ASN A 209 -9.629 40.031 65.450 1.00 23.55 N +ATOM 1667 N ARG A 210 -5.725 44.069 66.849 1.00 19.34 N +ATOM 1668 CA ARG A 210 -5.280 45.452 66.785 1.00 21.05 C +ATOM 1669 C ARG A 210 -5.971 46.319 65.744 1.00 22.89 C +ATOM 1670 O ARG A 210 -6.262 47.495 66.014 1.00 20.19 O +ATOM 1671 CB ARG A 210 -3.782 45.502 66.574 1.00 23.14 C +ATOM 1672 CG ARG A 210 -3.024 45.104 67.814 1.00 24.69 C +ATOM 1673 CD ARG A 210 -1.535 45.343 67.643 1.00 26.08 C +ATOM 1674 NE ARG A 210 -1.227 46.656 67.086 1.00 24.03 N +ATOM 1675 CZ ARG A 210 -0.918 46.870 65.810 1.00 27.14 C +ATOM 1676 NH1 ARG A 210 -0.881 45.854 64.952 1.00 25.10 N +ATOM 1677 NH2 ARG A 210 -0.615 48.095 65.392 1.00 25.01 N +ATOM 1678 N ASN A 211 -6.236 45.746 64.567 1.00 22.58 N +ATOM 1679 CA ASN A 211 -6.896 46.486 63.493 1.00 26.19 C +ATOM 1680 C ASN A 211 -8.274 46.937 63.938 1.00 26.58 C +ATOM 1681 O ASN A 211 -8.846 47.868 63.367 1.00 28.14 O +ATOM 1682 CB ASN A 211 -7.059 45.610 62.234 1.00 25.77 C +ATOM 1683 CG ASN A 211 -8.207 44.583 62.363 1.00 30.01 C +ATOM 1684 OD1 ASN A 211 -9.289 44.744 61.777 1.00 29.07 O +ATOM 1685 ND2 ASN A 211 -7.969 43.531 63.136 1.00 25.79 N +ATOM 1686 N GLU A 212 -8.808 46.298 64.973 1.00 25.55 N +ATOM 1687 CA GLU A 212 -10.139 46.631 65.420 1.00 25.32 C +ATOM 1688 C GLU A 212 -10.120 47.649 66.545 1.00 27.64 C +ATOM 1689 O GLU A 212 -11.169 48.071 67.039 1.00 28.63 O +ATOM 1690 CB GLU A 212 -10.861 45.347 65.844 1.00 25.37 C +ATOM 1691 CG GLU A 212 -10.963 44.324 64.696 1.00 23.61 C +ATOM 1692 CD GLU A 212 -11.525 42.963 65.113 1.00 25.05 C +ATOM 1693 OE1 GLU A 212 -11.356 41.992 64.347 1.00 26.29 O +ATOM 1694 OE2 GLU A 212 -12.140 42.859 66.191 1.00 27.02 O +ATOM 1695 N CYS A 213 -8.921 48.048 66.949 1.00 28.48 N +ATOM 1696 CA CYS A 213 -8.796 49.006 68.043 1.00 31.67 C +ATOM 1697 C CYS A 213 -9.225 50.397 67.609 1.00 32.78 C +ATOM 1698 O CYS A 213 -9.940 51.054 68.396 1.00 35.62 O +ATOM 1699 CB CYS A 213 -7.360 49.018 68.581 1.00 30.65 C +ATOM 1700 SG CYS A 213 -6.934 47.494 69.495 1.00 29.93 S +ATOM 1701 OXT CYS A 213 -8.851 50.799 66.487 1.00 31.57 O +TER 1702 CYS A 213 +END diff --git a/bench/main_benchmark/structures/SFB_OL_HIVPR_1HHPA_3HVPA/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_HIVPR_1HHPA_3HVPA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0fb86dd5b61b59b3973d55b9b3beb0a44de8fd33 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_HIVPR_1HHPA_3HVPA/state_a.pdb @@ -0,0 +1,760 @@ +ATOM 1 N PRO A 1 52.574 58.851 -7.646 1.00 34.60 N +ATOM 2 CA PRO A 1 51.842 59.784 -6.815 1.00 34.88 C +ATOM 3 C PRO A 1 52.146 59.438 -5.356 1.00 36.01 C +ATOM 4 O PRO A 1 53.031 58.612 -5.150 1.00 35.05 O +ATOM 5 CB PRO A 1 50.391 59.581 -7.189 1.00 34.07 C +ATOM 6 CG PRO A 1 50.353 58.166 -7.724 1.00 32.00 C +ATOM 7 CD PRO A 1 51.621 58.242 -8.540 1.00 31.72 C +ATOM 8 N GLN A 2 51.488 60.047 -4.359 1.00 35.47 N +ATOM 9 CA GLN A 2 51.577 59.564 -2.997 1.00 35.15 C +ATOM 10 C GLN A 2 50.109 59.273 -2.694 1.00 33.50 C +ATOM 11 O GLN A 2 49.368 60.231 -2.829 1.00 37.45 O +ATOM 12 CB GLN A 2 52.076 60.630 -2.075 1.00 37.17 C +ATOM 13 CG GLN A 2 52.024 59.911 -0.749 1.00 42.02 C +ATOM 14 CD GLN A 2 52.639 60.592 0.439 1.00 43.50 C +ATOM 15 OE1 GLN A 2 53.841 60.484 0.675 1.00 44.41 O +ATOM 16 NE2 GLN A 2 51.824 61.272 1.246 1.00 43.72 N +ATOM 17 N ILE A 3 49.555 58.119 -2.306 1.00 30.33 N +ATOM 18 CA ILE A 3 48.107 57.932 -2.171 1.00 27.03 C +ATOM 19 C ILE A 3 47.924 57.639 -0.692 1.00 26.95 C +ATOM 20 O ILE A 3 48.736 56.921 -0.102 1.00 25.73 O +ATOM 21 CB ILE A 3 47.623 56.740 -3.053 1.00 24.36 C +ATOM 22 CG1 ILE A 3 47.870 57.072 -4.513 1.00 24.07 C +ATOM 23 CG2 ILE A 3 46.116 56.491 -2.898 1.00 22.78 C +ATOM 24 CD1 ILE A 3 47.651 55.899 -5.455 1.00 21.74 C +ATOM 25 N THR A 4 46.933 58.239 -0.055 1.00 24.74 N +ATOM 26 CA THR A 4 46.701 58.033 1.344 1.00 25.63 C +ATOM 27 C THR A 4 45.538 57.047 1.421 1.00 27.68 C +ATOM 28 O THR A 4 44.798 56.901 0.423 1.00 29.86 O +ATOM 29 CB THR A 4 46.378 59.394 1.948 1.00 25.77 C +ATOM 30 OG1 THR A 4 45.232 59.946 1.314 1.00 26.30 O +ATOM 31 CG2 THR A 4 47.496 60.335 1.728 1.00 25.63 C +ATOM 32 N LEU A 5 45.285 56.360 2.548 1.00 26.30 N +ATOM 33 CA LEU A 5 44.183 55.442 2.514 1.00 22.06 C +ATOM 34 C LEU A 5 42.972 55.921 3.284 1.00 21.26 C +ATOM 35 O LEU A 5 42.160 55.105 3.738 1.00 23.56 O +ATOM 36 CB LEU A 5 44.665 54.100 3.017 1.00 22.16 C +ATOM 37 CG LEU A 5 45.655 53.176 2.295 1.00 21.13 C +ATOM 38 CD1 LEU A 5 45.713 53.492 0.837 1.00 20.48 C +ATOM 39 CD2 LEU A 5 47.049 53.394 2.824 1.00 20.76 C +ATOM 40 N TRP A 6 42.728 57.237 3.380 1.00 18.14 N +ATOM 41 CA TRP A 6 41.544 57.701 4.088 1.00 18.46 C +ATOM 42 C TRP A 6 40.358 57.249 3.247 1.00 23.40 C +ATOM 43 O TRP A 6 39.283 57.041 3.786 1.00 27.99 O +ATOM 44 CB TRP A 6 41.488 59.204 4.211 1.00 16.88 C +ATOM 45 CG TRP A 6 42.486 59.783 5.184 1.00 18.72 C +ATOM 46 CD1 TRP A 6 43.649 60.379 4.759 1.00 19.20 C +ATOM 47 CD2 TRP A 6 42.387 59.729 6.551 1.00 22.30 C +ATOM 48 NE1 TRP A 6 44.299 60.686 5.852 1.00 19.21 N +ATOM 49 CE2 TRP A 6 43.588 60.320 6.940 1.00 22.30 C +ATOM 50 CE3 TRP A 6 41.482 59.284 7.505 1.00 22.76 C +ATOM 51 CZ2 TRP A 6 43.873 60.464 8.287 1.00 22.88 C +ATOM 52 CZ3 TRP A 6 41.777 59.438 8.840 1.00 24.11 C +ATOM 53 CH2 TRP A 6 42.969 60.024 9.234 1.00 23.19 C +ATOM 54 N GLN A 7 40.451 57.050 1.936 1.00 25.39 N +ATOM 55 CA GLN A 7 39.388 56.510 1.115 1.00 27.79 C +ATOM 56 C GLN A 7 39.991 55.345 0.336 1.00 27.15 C +ATOM 57 O GLN A 7 41.185 55.385 0.038 1.00 32.71 O +ATOM 58 CB GLN A 7 38.924 57.475 0.099 1.00 33.04 C +ATOM 59 CG GLN A 7 38.022 58.599 0.521 1.00 42.60 C +ATOM 60 CD GLN A 7 37.782 59.430 -0.741 1.00 47.86 C +ATOM 61 OE1 GLN A 7 38.623 60.248 -1.142 1.00 49.89 O +ATOM 62 NE2 GLN A 7 36.657 59.248 -1.443 1.00 50.16 N +ATOM 63 N ARG A 8 39.229 54.333 -0.081 1.00 23.61 N +ATOM 64 CA ARG A 8 39.662 53.213 -0.904 1.00 20.69 C +ATOM 65 C ARG A 8 40.583 53.656 -2.009 1.00 19.98 C +ATOM 66 O ARG A 8 40.173 54.523 -2.764 1.00 22.02 O +ATOM 67 CB ARG A 8 38.468 52.553 -1.552 1.00 20.30 C +ATOM 68 CG ARG A 8 37.584 51.732 -0.660 1.00 23.11 C +ATOM 69 CD ARG A 8 36.449 51.269 -1.532 1.00 27.73 C +ATOM 70 NE ARG A 8 35.723 50.113 -1.025 1.00 31.19 N +ATOM 71 CZ ARG A 8 34.915 50.120 0.047 1.00 33.17 C +ATOM 72 NH1 ARG A 8 34.765 51.137 0.903 1.00 35.98 N +ATOM 73 NH2 ARG A 8 34.235 49.016 0.305 1.00 37.95 N +ATOM 74 N PRO A 9 41.771 53.155 -2.212 1.00 18.20 N +ATOM 75 CA PRO A 9 42.708 53.768 -3.078 1.00 18.91 C +ATOM 76 C PRO A 9 42.319 53.444 -4.519 1.00 22.17 C +ATOM 77 O PRO A 9 43.052 52.666 -5.134 1.00 25.25 O +ATOM 78 CB PRO A 9 43.995 53.178 -2.540 1.00 17.87 C +ATOM 79 CG PRO A 9 43.628 51.745 -2.295 1.00 15.62 C +ATOM 80 CD PRO A 9 42.298 51.932 -1.638 1.00 18.00 C +ATOM 81 N LEU A 10 41.190 53.900 -5.120 1.00 25.29 N +ATOM 82 CA LEU A 10 40.903 53.618 -6.532 1.00 25.36 C +ATOM 83 C LEU A 10 41.712 54.463 -7.473 1.00 25.20 C +ATOM 84 O LEU A 10 41.975 55.624 -7.171 1.00 25.19 O +ATOM 85 CB LEU A 10 39.476 53.859 -6.923 1.00 23.47 C +ATOM 86 CG LEU A 10 38.466 52.905 -6.369 1.00 25.83 C +ATOM 87 CD1 LEU A 10 38.991 51.469 -6.293 1.00 23.08 C +ATOM 88 CD2 LEU A 10 38.179 53.328 -4.970 1.00 27.63 C +ATOM 89 N VAL A 11 42.090 53.891 -8.611 1.00 26.67 N +ATOM 90 CA VAL A 11 42.884 54.589 -9.625 1.00 28.60 C +ATOM 91 C VAL A 11 42.363 54.247 -11.013 1.00 30.66 C +ATOM 92 O VAL A 11 41.669 53.233 -11.136 1.00 32.14 O +ATOM 93 CB VAL A 11 44.400 54.206 -9.591 1.00 25.39 C +ATOM 94 CG1 VAL A 11 45.091 54.803 -8.376 1.00 24.64 C +ATOM 95 CG2 VAL A 11 44.519 52.709 -9.607 1.00 23.29 C +ATOM 96 N THR A 12 42.614 55.067 -12.049 1.00 32.99 N +ATOM 97 CA THR A 12 42.251 54.709 -13.425 1.00 36.63 C +ATOM 98 C THR A 12 43.387 54.002 -14.159 1.00 34.17 C +ATOM 99 O THR A 12 44.577 54.320 -14.090 1.00 35.08 O +ATOM 100 CB THR A 12 41.771 56.020 -14.117 1.00 40.88 C +ATOM 101 OG1 THR A 12 40.353 55.833 -14.062 1.00 43.82 O +ATOM 102 CG2 THR A 12 42.174 56.307 -15.546 1.00 41.85 C +ATOM 103 N ILE A 13 42.961 52.927 -14.765 1.00 33.38 N +ATOM 104 CA ILE A 13 43.809 51.981 -15.445 1.00 34.39 C +ATOM 105 C ILE A 13 43.345 52.063 -16.884 1.00 36.99 C +ATOM 106 O ILE A 13 42.154 52.278 -17.173 1.00 37.99 O +ATOM 107 CB ILE A 13 43.607 50.505 -14.962 1.00 33.54 C +ATOM 108 CG1 ILE A 13 42.216 49.996 -15.324 1.00 34.48 C +ATOM 109 CG2 ILE A 13 43.731 50.444 -13.442 1.00 32.74 C +ATOM 110 CD1 ILE A 13 41.973 48.495 -15.188 1.00 36.51 C +ATOM 111 N LYS A 14 44.285 51.866 -17.787 1.00 40.82 N +ATOM 112 CA LYS A 14 43.975 51.774 -19.198 1.00 42.45 C +ATOM 113 C LYS A 14 44.475 50.390 -19.569 1.00 43.63 C +ATOM 114 O LYS A 14 45.621 50.033 -19.234 1.00 42.86 O +ATOM 115 CB LYS A 14 44.725 52.810 -19.949 1.00 44.04 C +ATOM 116 CG LYS A 14 44.209 52.898 -21.346 1.00 47.75 C +ATOM 117 CD LYS A 14 45.202 53.811 -22.020 1.00 52.01 C +ATOM 118 CE LYS A 14 45.042 53.776 -23.533 1.00 53.80 C +ATOM 119 NZ LYS A 14 46.207 54.435 -24.110 1.00 56.01 N +ATOM 120 N ILE A 15 43.557 49.599 -20.148 1.00 44.56 N +ATOM 121 CA ILE A 15 43.797 48.245 -20.632 1.00 43.02 C +ATOM 122 C ILE A 15 42.830 48.038 -21.762 1.00 42.94 C +ATOM 123 O ILE A 15 41.638 48.296 -21.627 1.00 43.83 O +ATOM 124 CB ILE A 15 43.544 47.158 -19.537 1.00 41.58 C +ATOM 125 CG1 ILE A 15 43.742 45.759 -20.140 1.00 40.77 C +ATOM 126 CG2 ILE A 15 42.154 47.291 -18.945 1.00 41.54 C +ATOM 127 CD1 ILE A 15 43.881 44.661 -19.056 1.00 40.62 C +ATOM 128 N GLY A 16 43.345 47.581 -22.893 1.00 43.78 N +ATOM 129 CA GLY A 16 42.521 47.316 -24.076 1.00 45.75 C +ATOM 130 C GLY A 16 41.964 48.592 -24.726 1.00 48.11 C +ATOM 131 O GLY A 16 40.960 48.556 -25.456 1.00 48.82 O +ATOM 132 N GLY A 17 42.516 49.791 -24.520 1.00 48.06 N +ATOM 133 CA GLY A 17 41.869 50.971 -25.072 1.00 48.69 C +ATOM 134 C GLY A 17 40.802 51.384 -24.071 1.00 49.54 C +ATOM 135 O GLY A 17 40.610 52.568 -23.776 1.00 52.37 O +ATOM 136 N GLN A 18 40.078 50.370 -23.590 1.00 47.98 N +ATOM 137 CA GLN A 18 39.188 50.443 -22.473 1.00 47.74 C +ATOM 138 C GLN A 18 39.935 51.087 -21.300 1.00 46.35 C +ATOM 139 O GLN A 18 41.121 50.878 -21.016 1.00 44.67 O +ATOM 140 CB GLN A 18 38.736 49.014 -22.151 1.00 51.26 C +ATOM 141 CG GLN A 18 37.895 48.309 -23.231 1.00 54.89 C +ATOM 142 CD GLN A 18 38.326 46.866 -23.599 1.00 58.22 C +ATOM 143 OE1 GLN A 18 37.897 45.852 -23.013 1.00 59.98 O +ATOM 144 NE2 GLN A 18 39.131 46.666 -24.645 1.00 59.85 N +ATOM 145 N LEU A 19 39.190 51.968 -20.656 1.00 45.69 N +ATOM 146 CA LEU A 19 39.687 52.728 -19.521 1.00 43.44 C +ATOM 147 C LEU A 19 38.776 52.323 -18.356 1.00 43.70 C +ATOM 148 O LEU A 19 37.554 52.526 -18.469 1.00 42.20 O +ATOM 149 CB LEU A 19 39.525 54.179 -19.841 1.00 39.24 C +ATOM 150 CG LEU A 19 40.189 55.184 -19.010 1.00 36.66 C +ATOM 151 CD1 LEU A 19 41.564 55.427 -19.597 1.00 35.32 C +ATOM 152 CD2 LEU A 19 39.347 56.462 -18.998 1.00 35.94 C +ATOM 153 N LYS A 20 39.313 51.723 -17.272 1.00 43.35 N +ATOM 154 CA LYS A 20 38.532 51.307 -16.096 1.00 40.02 C +ATOM 155 C LYS A 20 39.110 51.912 -14.817 1.00 38.58 C +ATOM 156 O LYS A 20 40.144 52.611 -14.889 1.00 38.28 O +ATOM 157 CB LYS A 20 38.564 49.812 -15.983 1.00 38.80 C +ATOM 158 CG LYS A 20 37.689 49.194 -17.011 1.00 38.09 C +ATOM 159 CD LYS A 20 38.136 47.764 -17.037 1.00 41.78 C +ATOM 160 CE LYS A 20 37.284 46.927 -17.991 1.00 44.93 C +ATOM 161 NZ LYS A 20 36.923 47.650 -19.212 1.00 47.09 N +ATOM 162 N GLU A 21 38.475 51.736 -13.639 1.00 35.79 N +ATOM 163 CA GLU A 21 39.141 52.167 -12.417 1.00 33.74 C +ATOM 164 C GLU A 21 39.287 50.951 -11.525 1.00 32.24 C +ATOM 165 O GLU A 21 38.403 50.088 -11.544 1.00 31.91 O +ATOM 166 CB GLU A 21 38.364 53.249 -11.698 1.00 36.60 C +ATOM 167 CG GLU A 21 36.934 53.027 -11.238 1.00 40.38 C +ATOM 168 CD GLU A 21 36.374 54.178 -10.387 1.00 44.46 C +ATOM 169 OE1 GLU A 21 37.078 55.207 -10.248 1.00 45.39 O +ATOM 170 OE2 GLU A 21 35.244 54.028 -9.863 1.00 41.59 O +ATOM 171 N ALA A 22 40.390 50.790 -10.798 1.00 29.53 N +ATOM 172 CA ALA A 22 40.640 49.603 -10.016 1.00 26.75 C +ATOM 173 C ALA A 22 41.292 49.987 -8.702 1.00 27.55 C +ATOM 174 O ALA A 22 41.781 51.112 -8.555 1.00 30.39 O +ATOM 175 CB ALA A 22 41.547 48.715 -10.797 1.00 24.71 C +ATOM 176 N LEU A 23 41.232 49.062 -7.747 1.00 24.36 N +ATOM 177 CA LEU A 23 41.703 49.173 -6.386 1.00 20.24 C +ATOM 178 C LEU A 23 43.162 48.797 -6.266 1.00 21.61 C +ATOM 179 O LEU A 23 43.483 47.720 -6.761 1.00 22.66 O +ATOM 180 CB LEU A 23 40.836 48.254 -5.598 1.00 18.64 C +ATOM 181 CG LEU A 23 40.860 48.079 -4.108 1.00 16.10 C +ATOM 182 CD1 LEU A 23 39.931 49.018 -3.485 1.00 12.80 C +ATOM 183 CD2 LEU A 23 40.348 46.702 -3.765 1.00 17.40 C +ATOM 184 N LEU A 24 44.101 49.551 -5.665 1.00 22.09 N +ATOM 185 CA LEU A 24 45.477 49.089 -5.522 1.00 20.88 C +ATOM 186 C LEU A 24 45.439 48.327 -4.190 1.00 21.60 C +ATOM 187 O LEU A 24 45.270 48.859 -3.092 1.00 20.50 O +ATOM 188 CB LEU A 24 46.384 50.288 -5.468 1.00 20.45 C +ATOM 189 CG LEU A 24 46.373 51.311 -6.598 1.00 20.83 C +ATOM 190 CD1 LEU A 24 46.950 52.604 -6.101 1.00 20.92 C +ATOM 191 CD2 LEU A 24 47.241 50.873 -7.727 1.00 22.78 C +ATOM 192 N ASP A 25 45.593 47.016 -4.252 1.00 22.55 N +ATOM 193 CA ASP A 25 45.318 46.159 -3.128 1.00 21.20 C +ATOM 194 C ASP A 25 46.571 45.427 -2.785 1.00 20.68 C +ATOM 195 O ASP A 25 46.810 44.364 -3.340 1.00 22.04 O +ATOM 196 CB ASP A 25 44.203 45.244 -3.593 1.00 21.47 C +ATOM 197 CG ASP A 25 43.522 44.325 -2.619 1.00 23.91 C +ATOM 198 OD1 ASP A 25 44.117 43.999 -1.608 1.00 25.64 O +ATOM 199 OD2 ASP A 25 42.389 43.914 -2.880 1.00 28.45 O +ATOM 200 N THR A 26 47.351 45.873 -1.794 1.00 18.85 N +ATOM 201 CA THR A 26 48.582 45.179 -1.430 1.00 14.97 C +ATOM 202 C THR A 26 48.281 43.832 -0.845 1.00 13.08 C +ATOM 203 O THR A 26 49.198 43.056 -0.636 1.00 18.05 O +ATOM 204 CB THR A 26 49.398 46.024 -0.434 1.00 15.32 C +ATOM 205 OG1 THR A 26 48.515 46.467 0.579 1.00 18.31 O +ATOM 206 CG2 THR A 26 50.024 47.256 -1.078 1.00 17.12 C +ATOM 207 N GLY A 27 47.031 43.476 -0.632 1.00 8.72 N +ATOM 208 CA GLY A 27 46.733 42.224 -0.031 1.00 8.76 C +ATOM 209 C GLY A 27 46.284 41.272 -1.107 1.00 15.22 C +ATOM 210 O GLY A 27 45.969 40.143 -0.744 1.00 18.84 O +ATOM 211 N ALA A 28 46.191 41.660 -2.402 1.00 14.38 N +ATOM 212 CA ALA A 28 45.775 40.761 -3.455 1.00 13.46 C +ATOM 213 C ALA A 28 46.992 40.328 -4.192 1.00 15.85 C +ATOM 214 O ALA A 28 47.657 41.170 -4.732 1.00 17.14 O +ATOM 215 CB ALA A 28 44.920 41.400 -4.486 1.00 11.11 C +ATOM 216 N ASP A 29 47.365 39.061 -4.241 1.00 20.55 N +ATOM 217 CA ASP A 29 48.501 38.562 -4.998 1.00 22.54 C +ATOM 218 C ASP A 29 48.366 38.692 -6.527 1.00 24.32 C +ATOM 219 O ASP A 29 49.377 38.875 -7.225 1.00 25.48 O +ATOM 220 CB ASP A 29 48.765 37.080 -4.699 1.00 22.96 C +ATOM 221 CG ASP A 29 48.980 36.541 -3.266 1.00 27.40 C +ATOM 222 OD1 ASP A 29 49.168 37.224 -2.245 1.00 28.66 O +ATOM 223 OD2 ASP A 29 48.930 35.318 -3.167 1.00 32.34 O +ATOM 224 N ASP A 30 47.111 38.674 -7.010 1.00 24.75 N +ATOM 225 CA ASP A 30 46.716 38.676 -8.410 1.00 25.44 C +ATOM 226 C ASP A 30 45.883 39.841 -8.837 1.00 21.75 C +ATOM 227 O ASP A 30 45.210 40.354 -7.984 1.00 23.29 O +ATOM 228 CB ASP A 30 45.867 37.514 -8.736 1.00 31.71 C +ATOM 229 CG ASP A 30 46.512 36.193 -8.448 1.00 37.07 C +ATOM 230 OD1 ASP A 30 47.689 36.062 -8.820 1.00 40.72 O +ATOM 231 OD2 ASP A 30 45.831 35.325 -7.874 1.00 38.73 O +ATOM 232 N THR A 31 45.760 40.150 -10.115 1.00 20.51 N +ATOM 233 CA THR A 31 44.915 41.225 -10.624 1.00 19.78 C +ATOM 234 C THR A 31 43.628 40.606 -11.151 1.00 18.27 C +ATOM 235 O THR A 31 43.744 39.623 -11.876 1.00 20.07 O +ATOM 236 CB THR A 31 45.634 41.936 -11.737 1.00 17.29 C +ATOM 237 OG1 THR A 31 46.786 42.402 -11.090 1.00 18.22 O +ATOM 238 CG2 THR A 31 44.908 43.097 -12.371 1.00 15.21 C +ATOM 239 N VAL A 32 42.419 41.052 -10.845 1.00 14.85 N +ATOM 240 CA VAL A 32 41.270 40.373 -11.334 1.00 15.10 C +ATOM 241 C VAL A 32 40.503 41.537 -11.790 1.00 21.57 C +ATOM 242 O VAL A 32 40.305 42.494 -11.064 1.00 25.14 O +ATOM 243 CB VAL A 32 40.450 39.711 -10.314 1.00 14.02 C +ATOM 244 CG1 VAL A 32 39.725 38.592 -11.011 1.00 17.01 C +ATOM 245 CG2 VAL A 32 41.257 38.995 -9.311 1.00 16.42 C +ATOM 246 N LEU A 33 40.167 41.505 -13.056 1.00 29.89 N +ATOM 247 CA LEU A 33 39.440 42.554 -13.719 1.00 32.78 C +ATOM 248 C LEU A 33 38.117 42.053 -14.279 1.00 33.29 C +ATOM 249 O LEU A 33 37.872 40.886 -14.621 1.00 33.35 O +ATOM 250 CB LEU A 33 40.326 43.106 -14.826 1.00 34.04 C +ATOM 251 CG LEU A 33 41.512 44.014 -14.486 1.00 35.01 C +ATOM 252 CD1 LEU A 33 42.346 44.295 -15.741 1.00 35.79 C +ATOM 253 CD2 LEU A 33 40.995 45.313 -13.932 1.00 33.87 C +ATOM 254 N GLU A 34 37.211 42.997 -14.303 1.00 35.65 N +ATOM 255 CA GLU A 34 35.920 42.747 -14.872 1.00 36.50 C +ATOM 256 C GLU A 34 36.000 42.399 -16.341 1.00 34.51 C +ATOM 257 O GLU A 34 36.853 42.910 -17.071 1.00 36.88 O +ATOM 258 CB GLU A 34 35.083 43.963 -14.680 1.00 38.75 C +ATOM 259 CG GLU A 34 35.525 45.248 -15.364 1.00 41.17 C +ATOM 260 CD GLU A 34 34.663 46.449 -14.937 1.00 45.91 C +ATOM 261 OE1 GLU A 34 33.615 46.280 -14.255 1.00 45.55 O +ATOM 262 OE2 GLU A 34 35.078 47.570 -15.282 1.00 45.32 O +ATOM 263 N GLU A 35 35.096 41.502 -16.693 1.00 32.63 N +ATOM 264 CA GLU A 35 34.897 40.976 -18.035 1.00 33.44 C +ATOM 265 C GLU A 35 34.970 41.997 -19.147 1.00 35.90 C +ATOM 266 O GLU A 35 34.209 42.965 -19.222 1.00 35.44 O +ATOM 267 CB GLU A 35 33.540 40.271 -18.113 1.00 33.28 C +ATOM 268 CG GLU A 35 33.205 39.618 -19.406 1.00 30.59 C +ATOM 269 CD GLU A 35 34.226 38.547 -19.719 1.00 32.82 C +ATOM 270 OE1 GLU A 35 34.091 37.444 -19.171 1.00 34.47 O +ATOM 271 OE2 GLU A 35 35.143 38.827 -20.496 1.00 29.98 O +ATOM 272 N MET A 36 35.902 41.698 -20.033 1.00 37.83 N +ATOM 273 CA MET A 36 36.229 42.597 -21.125 1.00 41.13 C +ATOM 274 C MET A 36 36.875 41.681 -22.131 1.00 43.84 C +ATOM 275 O MET A 36 37.256 40.532 -21.816 1.00 43.65 O +ATOM 276 CB MET A 36 37.229 43.697 -20.701 1.00 40.16 C +ATOM 277 CG MET A 36 38.619 43.221 -20.254 1.00 41.27 C +ATOM 278 SD MET A 36 39.758 44.478 -19.589 1.00 44.00 S +ATOM 279 CE MET A 36 40.174 45.417 -21.042 1.00 39.20 C +ATOM 280 N SER A 37 37.009 42.158 -23.360 1.00 47.33 N +ATOM 281 CA SER A 37 37.638 41.297 -24.332 1.00 48.07 C +ATOM 282 C SER A 37 38.995 41.851 -24.691 1.00 44.97 C +ATOM 283 O SER A 37 39.271 42.990 -25.093 1.00 43.75 O +ATOM 284 CB SER A 37 36.736 41.133 -25.583 1.00 51.51 C +ATOM 285 OG SER A 37 35.558 40.360 -25.274 1.00 56.70 O +ATOM 286 N LEU A 38 39.813 40.954 -24.194 1.00 43.27 N +ATOM 287 CA LEU A 38 41.219 41.024 -24.431 1.00 43.41 C +ATOM 288 C LEU A 38 41.486 40.025 -25.549 1.00 46.16 C +ATOM 289 O LEU A 38 41.149 38.833 -25.435 1.00 46.92 O +ATOM 290 CB LEU A 38 42.027 40.622 -23.198 1.00 39.11 C +ATOM 291 CG LEU A 38 42.112 41.585 -22.073 1.00 32.69 C +ATOM 292 CD1 LEU A 38 43.032 41.050 -20.991 1.00 30.59 C +ATOM 293 CD2 LEU A 38 42.589 42.890 -22.649 1.00 30.71 C +ATOM 294 N PRO A 39 42.048 40.521 -26.667 1.00 49.16 N +ATOM 295 CA PRO A 39 42.734 39.737 -27.687 1.00 48.56 C +ATOM 296 C PRO A 39 43.737 38.852 -27.010 1.00 48.33 C +ATOM 297 O PRO A 39 44.589 39.402 -26.297 1.00 49.74 O +ATOM 298 CB PRO A 39 43.369 40.772 -28.556 1.00 49.47 C +ATOM 299 CG PRO A 39 43.599 41.931 -27.588 1.00 48.90 C +ATOM 300 CD PRO A 39 42.238 41.952 -26.941 1.00 49.67 C +ATOM 301 N GLY A 40 43.674 37.535 -27.151 1.00 48.19 N +ATOM 302 CA GLY A 40 44.704 36.743 -26.500 1.00 48.64 C +ATOM 303 C GLY A 40 44.410 35.281 -26.599 1.00 49.50 C +ATOM 304 O GLY A 40 43.556 34.820 -27.353 1.00 51.92 O +ATOM 305 N ARG A 41 45.123 34.549 -25.778 1.00 51.31 N +ATOM 306 CA ARG A 41 45.060 33.095 -25.730 1.00 50.88 C +ATOM 307 C ARG A 41 45.024 33.003 -24.217 1.00 47.25 C +ATOM 308 O ARG A 41 45.886 33.560 -23.518 1.00 47.97 O +ATOM 309 CB ARG A 41 46.345 32.517 -26.277 1.00 56.14 C +ATOM 310 CG ARG A 41 46.313 31.120 -26.868 1.00 62.81 C +ATOM 311 CD ARG A 41 45.576 30.110 -25.987 1.00 67.06 C +ATOM 312 NE ARG A 41 46.191 29.918 -24.677 1.00 70.64 N +ATOM 313 CZ ARG A 41 47.294 29.156 -24.515 1.00 71.97 C +ATOM 314 NH1 ARG A 41 47.954 28.615 -25.574 1.00 72.95 N +ATOM 315 NH2 ARG A 41 47.739 28.952 -23.258 1.00 72.91 N +ATOM 316 N TRP A 42 44.018 32.347 -23.720 1.00 41.14 N +ATOM 317 CA TRP A 42 43.813 32.352 -22.311 1.00 37.65 C +ATOM 318 C TRP A 42 43.875 30.922 -21.839 1.00 37.82 C +ATOM 319 O TRP A 42 43.887 30.006 -22.670 1.00 37.62 O +ATOM 320 CB TRP A 42 42.463 33.063 -22.071 1.00 37.91 C +ATOM 321 CG TRP A 42 41.194 32.575 -22.802 1.00 39.31 C +ATOM 322 CD1 TRP A 42 40.714 33.081 -24.015 1.00 38.16 C +ATOM 323 CD2 TRP A 42 40.361 31.604 -22.312 1.00 36.59 C +ATOM 324 NE1 TRP A 42 39.594 32.417 -24.275 1.00 35.36 N +ATOM 325 CE2 TRP A 42 39.356 31.545 -23.282 1.00 34.31 C +ATOM 326 CE3 TRP A 42 40.393 30.814 -21.177 1.00 33.28 C +ATOM 327 CZ2 TRP A 42 38.340 30.669 -23.109 1.00 33.06 C +ATOM 328 CZ3 TRP A 42 39.355 29.935 -21.015 1.00 32.72 C +ATOM 329 CH2 TRP A 42 38.354 29.877 -21.970 1.00 34.51 C +ATOM 330 N LYS A 43 44.055 30.740 -20.539 1.00 37.88 N +ATOM 331 CA LYS A 43 44.000 29.437 -19.900 1.00 40.69 C +ATOM 332 C LYS A 43 43.010 29.569 -18.734 1.00 44.26 C +ATOM 333 O LYS A 43 42.948 30.639 -18.111 1.00 47.10 O +ATOM 334 CB LYS A 43 45.384 28.990 -19.357 1.00 43.95 C +ATOM 335 CG LYS A 43 46.571 29.891 -18.861 1.00 46.91 C +ATOM 336 CD LYS A 43 47.645 30.209 -19.937 1.00 47.57 C +ATOM 337 CE LYS A 43 47.390 31.569 -20.661 1.00 48.16 C +ATOM 338 NZ LYS A 43 47.982 31.649 -21.999 1.00 47.05 N +ATOM 339 N PRO A 44 42.128 28.619 -18.426 1.00 44.77 N +ATOM 340 CA PRO A 44 41.164 28.670 -17.317 1.00 45.30 C +ATOM 341 C PRO A 44 41.775 28.878 -15.954 1.00 46.04 C +ATOM 342 O PRO A 44 42.959 28.541 -15.794 1.00 50.75 O +ATOM 343 CB PRO A 44 40.460 27.374 -17.377 1.00 46.18 C +ATOM 344 CG PRO A 44 40.455 27.137 -18.869 1.00 48.11 C +ATOM 345 CD PRO A 44 41.872 27.482 -19.273 1.00 46.00 C +ATOM 346 N LYS A 45 41.051 29.375 -14.948 1.00 43.48 N +ATOM 347 CA LYS A 45 41.624 29.507 -13.608 1.00 41.04 C +ATOM 348 C LYS A 45 40.441 29.717 -12.652 1.00 39.20 C +ATOM 349 O LYS A 45 39.482 30.411 -12.975 1.00 36.91 O +ATOM 350 CB LYS A 45 42.583 30.699 -13.628 1.00 43.47 C +ATOM 351 CG LYS A 45 43.295 30.974 -12.335 1.00 46.92 C +ATOM 352 CD LYS A 45 44.659 30.306 -12.178 1.00 50.20 C +ATOM 353 CE LYS A 45 45.167 30.644 -10.754 1.00 52.30 C +ATOM 354 NZ LYS A 45 45.277 32.088 -10.517 1.00 54.78 N +ATOM 355 N MET A 46 40.421 29.118 -11.475 1.00 36.47 N +ATOM 356 CA MET A 46 39.283 29.172 -10.580 1.00 36.04 C +ATOM 357 C MET A 46 39.770 30.125 -9.534 1.00 35.19 C +ATOM 358 O MET A 46 40.960 30.025 -9.232 1.00 37.46 O +ATOM 359 CB MET A 46 39.091 27.827 -9.967 1.00 41.46 C +ATOM 360 CG MET A 46 37.696 27.375 -9.580 1.00 45.31 C +ATOM 361 SD MET A 46 36.606 27.296 -11.034 1.00 50.45 S +ATOM 362 CE MET A 46 37.632 26.289 -12.095 1.00 48.63 C +ATOM 363 N ILE A 47 39.010 31.082 -8.999 1.00 33.83 N +ATOM 364 CA ILE A 47 39.491 31.925 -7.918 1.00 30.22 C +ATOM 365 C ILE A 47 38.378 31.951 -6.911 1.00 30.50 C +ATOM 366 O ILE A 47 37.222 31.722 -7.235 1.00 26.61 O +ATOM 367 CB ILE A 47 39.826 33.397 -8.306 1.00 30.28 C +ATOM 368 CG1 ILE A 47 38.638 34.213 -8.767 1.00 31.84 C +ATOM 369 CG2 ILE A 47 40.902 33.306 -9.369 1.00 28.99 C +ATOM 370 CD1 ILE A 47 39.000 35.698 -9.092 1.00 32.20 C +ATOM 371 N GLY A 48 38.746 32.145 -5.655 1.00 34.96 N +ATOM 372 CA GLY A 48 37.788 32.073 -4.568 1.00 39.99 C +ATOM 373 C GLY A 48 37.006 33.362 -4.379 1.00 42.85 C +ATOM 374 O GLY A 48 37.484 34.451 -4.727 1.00 44.43 O +ATOM 375 N GLY A 49 35.820 33.263 -3.804 1.00 43.14 N +ATOM 376 CA GLY A 49 35.043 34.442 -3.513 1.00 47.57 C +ATOM 377 C GLY A 49 34.054 34.137 -2.410 1.00 49.29 C +ATOM 378 O GLY A 49 33.893 32.984 -1.969 1.00 48.72 O +ATOM 379 N ILE A 50 33.428 35.208 -1.918 1.00 51.75 N +ATOM 380 CA ILE A 50 32.347 35.074 -0.949 1.00 54.24 C +ATOM 381 C ILE A 50 31.279 34.186 -1.618 1.00 53.89 C +ATOM 382 O ILE A 50 30.959 34.340 -2.805 1.00 54.18 O +ATOM 383 CB ILE A 50 31.803 36.501 -0.582 1.00 55.81 C +ATOM 384 CG1 ILE A 50 30.569 36.422 0.317 1.00 57.44 C +ATOM 385 CG2 ILE A 50 31.384 37.240 -1.856 1.00 57.03 C +ATOM 386 CD1 ILE A 50 30.747 35.885 1.744 1.00 56.54 C +ATOM 387 N GLY A 51 30.787 33.172 -0.908 1.00 52.25 N +ATOM 388 CA GLY A 51 29.854 32.271 -1.556 1.00 52.49 C +ATOM 389 C GLY A 51 30.559 31.140 -2.323 1.00 50.86 C +ATOM 390 O GLY A 51 29.956 30.063 -2.419 1.00 51.11 O +ATOM 391 N GLY A 52 31.784 31.250 -2.874 1.00 47.86 N +ATOM 392 CA GLY A 52 32.385 30.105 -3.553 1.00 43.73 C +ATOM 393 C GLY A 52 33.466 30.501 -4.531 1.00 41.65 C +ATOM 394 O GLY A 52 33.933 31.640 -4.562 1.00 42.05 O +ATOM 395 N PHE A 53 33.906 29.522 -5.302 1.00 41.24 N +ATOM 396 CA PHE A 53 34.898 29.701 -6.356 1.00 40.92 C +ATOM 397 C PHE A 53 34.203 30.108 -7.645 1.00 39.64 C +ATOM 398 O PHE A 53 33.133 29.589 -7.980 1.00 40.87 O +ATOM 399 CB PHE A 53 35.644 28.399 -6.601 1.00 44.44 C +ATOM 400 CG PHE A 53 36.533 28.174 -5.407 1.00 48.71 C +ATOM 401 CD1 PHE A 53 35.972 27.740 -4.206 1.00 49.15 C +ATOM 402 CD2 PHE A 53 37.868 28.540 -5.497 1.00 48.98 C +ATOM 403 CE1 PHE A 53 36.756 27.694 -3.078 1.00 49.63 C +ATOM 404 CE2 PHE A 53 38.644 28.491 -4.360 1.00 50.08 C +ATOM 405 CZ PHE A 53 38.089 28.075 -3.152 1.00 50.81 C +ATOM 406 N ILE A 54 34.762 31.049 -8.378 1.00 36.45 N +ATOM 407 CA ILE A 54 34.222 31.428 -9.650 1.00 33.43 C +ATOM 408 C ILE A 54 35.305 31.056 -10.683 1.00 35.40 C +ATOM 409 O ILE A 54 36.478 30.899 -10.311 1.00 37.80 O +ATOM 410 CB ILE A 54 33.900 32.931 -9.617 1.00 32.45 C +ATOM 411 CG1 ILE A 54 35.098 33.800 -9.449 1.00 32.29 C +ATOM 412 CG2 ILE A 54 32.973 33.160 -8.444 1.00 30.83 C +ATOM 413 CD1 ILE A 54 34.699 35.235 -9.868 1.00 31.45 C +ATOM 414 N LYS A 55 35.007 30.778 -11.955 1.00 33.96 N +ATOM 415 CA LYS A 55 36.012 30.468 -12.945 1.00 30.62 C +ATOM 416 C LYS A 55 36.373 31.793 -13.590 1.00 28.95 C +ATOM 417 O LYS A 55 35.468 32.593 -13.803 1.00 29.95 O +ATOM 418 CB LYS A 55 35.487 29.614 -14.028 1.00 31.70 C +ATOM 419 CG LYS A 55 34.963 28.238 -13.793 1.00 33.67 C +ATOM 420 CD LYS A 55 34.820 27.788 -15.256 1.00 36.13 C +ATOM 421 CE LYS A 55 35.602 26.542 -15.696 1.00 36.94 C +ATOM 422 NZ LYS A 55 35.045 25.358 -15.059 1.00 39.85 N +ATOM 423 N VAL A 56 37.600 32.100 -13.942 1.00 27.94 N +ATOM 424 CA VAL A 56 37.951 33.331 -14.627 1.00 27.74 C +ATOM 425 C VAL A 56 38.891 32.879 -15.739 1.00 28.46 C +ATOM 426 O VAL A 56 39.221 31.687 -15.835 1.00 29.88 O +ATOM 427 CB VAL A 56 38.697 34.397 -13.723 1.00 27.61 C +ATOM 428 CG1 VAL A 56 37.728 35.069 -12.765 1.00 26.28 C +ATOM 429 CG2 VAL A 56 39.768 33.753 -12.883 1.00 28.39 C +ATOM 430 N ARG A 57 39.322 33.792 -16.611 1.00 28.83 N +ATOM 431 CA ARG A 57 40.195 33.474 -17.711 1.00 26.88 C +ATOM 432 C ARG A 57 41.528 34.165 -17.486 1.00 26.69 C +ATOM 433 O ARG A 57 41.551 35.373 -17.324 1.00 26.27 O +ATOM 434 CB ARG A 57 39.658 33.974 -19.037 1.00 25.29 C +ATOM 435 CG ARG A 57 38.276 33.514 -19.437 1.00 25.20 C +ATOM 436 CD ARG A 57 37.974 33.937 -20.895 1.00 24.55 C +ATOM 437 NE ARG A 57 38.222 35.341 -21.119 1.00 24.77 N +ATOM 438 CZ ARG A 57 37.316 36.312 -20.934 1.00 24.97 C +ATOM 439 NH1 ARG A 57 36.154 36.091 -20.350 1.00 24.04 N +ATOM 440 NH2 ARG A 57 37.629 37.571 -21.223 1.00 24.38 N +ATOM 441 N GLN A 58 42.655 33.455 -17.512 1.00 25.89 N +ATOM 442 CA GLN A 58 43.958 34.040 -17.315 1.00 26.05 C +ATOM 443 C GLN A 58 44.728 34.503 -18.566 1.00 26.10 C +ATOM 444 O GLN A 58 45.175 33.690 -19.362 1.00 27.61 O +ATOM 445 CB GLN A 58 44.736 33.022 -16.530 1.00 23.35 C +ATOM 446 CG GLN A 58 46.084 33.593 -16.245 1.00 25.01 C +ATOM 447 CD GLN A 58 47.012 32.637 -15.550 1.00 27.97 C +ATOM 448 OE1 GLN A 58 48.162 32.650 -15.914 1.00 30.53 O +ATOM 449 NE2 GLN A 58 46.740 31.798 -14.554 1.00 29.62 N +ATOM 450 N TYR A 59 44.929 35.789 -18.756 1.00 26.73 N +ATOM 451 CA TYR A 59 45.679 36.355 -19.847 1.00 29.17 C +ATOM 452 C TYR A 59 47.095 36.678 -19.342 1.00 30.84 C +ATOM 453 O TYR A 59 47.235 37.538 -18.458 1.00 32.57 O +ATOM 454 CB TYR A 59 45.010 37.648 -20.321 1.00 33.56 C +ATOM 455 CG TYR A 59 43.647 37.415 -20.912 1.00 38.93 C +ATOM 456 CD1 TYR A 59 42.562 37.109 -20.105 1.00 41.74 C +ATOM 457 CD2 TYR A 59 43.550 37.329 -22.281 1.00 41.78 C +ATOM 458 CE1 TYR A 59 41.389 36.675 -20.677 1.00 42.67 C +ATOM 459 CE2 TYR A 59 42.380 36.895 -22.860 1.00 42.91 C +ATOM 460 CZ TYR A 59 41.329 36.558 -22.048 1.00 42.49 C +ATOM 461 OH TYR A 59 40.260 35.941 -22.626 1.00 43.96 O +ATOM 462 N ASP A 60 48.184 36.031 -19.776 1.00 30.42 N +ATOM 463 CA ASP A 60 49.549 36.399 -19.405 1.00 27.75 C +ATOM 464 C ASP A 60 50.108 37.474 -20.304 1.00 25.12 C +ATOM 465 O ASP A 60 49.522 37.775 -21.328 1.00 27.25 O +ATOM 466 CB ASP A 60 50.439 35.217 -19.493 1.00 30.74 C +ATOM 467 CG ASP A 60 49.994 34.137 -18.530 1.00 34.96 C +ATOM 468 OD1 ASP A 60 49.630 34.497 -17.424 1.00 37.27 O +ATOM 469 OD2 ASP A 60 50.008 32.940 -18.865 1.00 38.61 O +ATOM 470 N GLN A 61 51.196 38.096 -19.959 1.00 21.44 N +ATOM 471 CA GLN A 61 51.715 39.205 -20.715 1.00 26.68 C +ATOM 472 C GLN A 61 50.852 40.418 -21.077 1.00 26.89 C +ATOM 473 O GLN A 61 51.262 41.211 -21.938 1.00 28.28 O +ATOM 474 CB GLN A 61 52.305 38.696 -22.005 1.00 30.44 C +ATOM 475 CG GLN A 61 53.703 39.210 -22.241 1.00 30.85 C +ATOM 476 CD GLN A 61 54.673 38.394 -21.457 1.00 35.11 C +ATOM 477 OE1 GLN A 61 55.869 38.607 -21.590 1.00 41.78 O +ATOM 478 NE2 GLN A 61 54.292 37.402 -20.652 1.00 34.31 N +ATOM 479 N ILE A 62 49.717 40.719 -20.460 1.00 27.32 N +ATOM 480 CA ILE A 62 48.974 41.895 -20.905 1.00 28.35 C +ATOM 481 C ILE A 62 49.698 43.185 -20.424 1.00 28.46 C +ATOM 482 O ILE A 62 50.371 43.201 -19.372 1.00 27.21 O +ATOM 483 CB ILE A 62 47.536 41.830 -20.358 1.00 26.96 C +ATOM 484 CG1 ILE A 62 46.892 40.531 -20.679 1.00 28.44 C +ATOM 485 CG2 ILE A 62 46.683 42.864 -21.044 1.00 29.85 C +ATOM 486 CD1 ILE A 62 46.904 40.091 -22.141 1.00 32.39 C +ATOM 487 N LEU A 63 49.632 44.217 -21.278 1.00 28.20 N +ATOM 488 CA LEU A 63 50.169 45.531 -20.985 1.00 31.02 C +ATOM 489 C LEU A 63 48.941 46.170 -20.399 1.00 32.98 C +ATOM 490 O LEU A 63 47.831 45.927 -20.901 1.00 35.79 O +ATOM 491 CB LEU A 63 50.568 46.397 -22.202 1.00 31.06 C +ATOM 492 CG LEU A 63 50.865 47.908 -21.907 1.00 34.30 C +ATOM 493 CD1 LEU A 63 52.119 48.002 -21.061 1.00 35.28 C +ATOM 494 CD2 LEU A 63 51.097 48.728 -23.171 1.00 35.65 C +ATOM 495 N ILE A 64 49.176 46.948 -19.344 1.00 32.61 N +ATOM 496 CA ILE A 64 48.156 47.683 -18.627 1.00 31.95 C +ATOM 497 C ILE A 64 48.856 48.969 -18.245 1.00 30.98 C +ATOM 498 O ILE A 64 50.092 48.992 -18.233 1.00 29.46 O +ATOM 499 CB ILE A 64 47.700 46.804 -17.421 1.00 34.70 C +ATOM 500 CG1 ILE A 64 46.898 47.649 -16.454 1.00 36.68 C +ATOM 501 CG2 ILE A 64 48.881 46.190 -16.713 1.00 36.13 C +ATOM 502 CD1 ILE A 64 46.089 46.836 -15.427 1.00 39.22 C +ATOM 503 N GLU A 65 48.148 50.064 -17.980 1.00 32.44 N +ATOM 504 CA GLU A 65 48.817 51.312 -17.679 1.00 35.74 C +ATOM 505 C GLU A 65 48.175 51.955 -16.467 1.00 36.06 C +ATOM 506 O GLU A 65 47.183 52.676 -16.588 1.00 36.45 O +ATOM 507 CB GLU A 65 48.702 52.163 -18.896 1.00 39.98 C +ATOM 508 CG GLU A 65 49.624 53.334 -19.072 1.00 48.07 C +ATOM 509 CD GLU A 65 49.358 54.002 -20.433 1.00 54.82 C +ATOM 510 OE1 GLU A 65 49.795 53.441 -21.466 1.00 56.24 O +ATOM 511 OE2 GLU A 65 48.687 55.063 -20.451 1.00 57.16 O +ATOM 512 N ILE A 66 48.766 51.704 -15.290 1.00 36.43 N +ATOM 513 CA ILE A 66 48.259 52.150 -13.988 1.00 35.28 C +ATOM 514 C ILE A 66 48.912 53.489 -13.720 1.00 37.89 C +ATOM 515 O ILE A 66 50.141 53.654 -13.810 1.00 35.00 O +ATOM 516 CB ILE A 66 48.634 51.238 -12.762 1.00 32.17 C +ATOM 517 CG1 ILE A 66 48.268 49.768 -12.934 1.00 30.76 C +ATOM 518 CG2 ILE A 66 47.871 51.774 -11.579 1.00 28.01 C +ATOM 519 CD1 ILE A 66 49.408 48.892 -13.484 1.00 29.25 C +ATOM 520 N CYS A 67 48.013 54.432 -13.406 1.00 42.45 N +ATOM 521 CA CYS A 67 48.343 55.819 -13.081 1.00 44.44 C +ATOM 522 C CYS A 67 49.598 56.333 -13.757 1.00 45.06 C +ATOM 523 O CYS A 67 50.661 56.675 -13.204 1.00 44.49 O +ATOM 524 CB CYS A 67 48.461 55.967 -11.584 1.00 45.25 C +ATOM 525 SG CYS A 67 47.322 57.330 -11.277 1.00 52.35 S +ATOM 526 N GLY A 68 49.326 56.188 -15.062 1.00 46.03 N +ATOM 527 CA GLY A 68 50.240 56.475 -16.154 1.00 45.45 C +ATOM 528 C GLY A 68 51.497 55.647 -16.037 1.00 43.66 C +ATOM 529 O GLY A 68 52.556 56.242 -16.121 1.00 48.68 O +ATOM 530 N HIS A 69 51.556 54.360 -15.741 1.00 41.20 N +ATOM 531 CA HIS A 69 52.828 53.643 -15.720 1.00 40.20 C +ATOM 532 C HIS A 69 52.486 52.310 -16.399 1.00 40.53 C +ATOM 533 O HIS A 69 51.509 51.610 -16.084 1.00 40.87 O +ATOM 534 CB HIS A 69 53.322 53.418 -14.288 1.00 36.88 C +ATOM 535 CG HIS A 69 53.752 54.658 -13.488 1.00 36.31 C +ATOM 536 ND1 HIS A 69 53.100 55.808 -13.281 1.00 33.48 N +ATOM 537 CD2 HIS A 69 54.929 54.735 -12.737 1.00 35.55 C +ATOM 538 CE1 HIS A 69 53.809 56.539 -12.443 1.00 34.30 C +ATOM 539 NE2 HIS A 69 54.923 55.898 -12.114 1.00 33.15 N +ATOM 540 N LYS A 70 53.226 52.066 -17.475 1.00 39.85 N +ATOM 541 CA LYS A 70 53.041 50.890 -18.295 1.00 40.48 C +ATOM 542 C LYS A 70 53.522 49.711 -17.500 1.00 39.87 C +ATOM 543 O LYS A 70 54.560 49.791 -16.854 1.00 42.19 O +ATOM 544 CB LYS A 70 53.856 50.999 -19.526 1.00 43.17 C +ATOM 545 CG LYS A 70 53.384 52.141 -20.366 1.00 45.39 C +ATOM 546 CD LYS A 70 54.273 52.069 -21.576 1.00 49.67 C +ATOM 547 CE LYS A 70 53.745 53.100 -22.551 1.00 53.21 C +ATOM 548 NZ LYS A 70 52.397 52.736 -23.006 1.00 56.20 N +ATOM 549 N ALA A 71 52.847 48.603 -17.541 1.00 37.70 N +ATOM 550 CA ALA A 71 53.222 47.514 -16.704 1.00 37.00 C +ATOM 551 C ALA A 71 52.849 46.269 -17.522 1.00 38.32 C +ATOM 552 O ALA A 71 51.854 46.295 -18.274 1.00 41.72 O +ATOM 553 CB ALA A 71 52.395 47.721 -15.450 1.00 35.93 C +ATOM 554 N ILE A 72 53.600 45.172 -17.481 1.00 33.33 N +ATOM 555 CA ILE A 72 53.255 44.000 -18.230 1.00 28.66 C +ATOM 556 C ILE A 72 53.060 42.998 -17.137 1.00 26.52 C +ATOM 557 O ILE A 72 53.941 42.808 -16.293 1.00 24.42 O +ATOM 558 CB ILE A 72 54.418 43.594 -19.187 1.00 29.79 C +ATOM 559 CG1 ILE A 72 54.164 44.225 -20.532 1.00 31.61 C +ATOM 560 CG2 ILE A 72 54.487 42.117 -19.465 1.00 29.24 C +ATOM 561 CD1 ILE A 72 54.486 45.714 -20.592 1.00 31.75 C +ATOM 562 N GLY A 73 51.899 42.364 -17.148 1.00 24.00 N +ATOM 563 CA GLY A 73 51.697 41.280 -16.224 1.00 22.09 C +ATOM 564 C GLY A 73 50.466 40.508 -16.614 1.00 23.25 C +ATOM 565 O GLY A 73 49.769 40.837 -17.575 1.00 24.32 O +ATOM 566 N THR A 74 50.218 39.458 -15.877 1.00 21.04 N +ATOM 567 CA THR A 74 49.054 38.652 -16.082 1.00 23.11 C +ATOM 568 C THR A 74 47.845 39.349 -15.469 1.00 26.12 C +ATOM 569 O THR A 74 47.962 39.894 -14.360 1.00 26.43 O +ATOM 570 CB THR A 74 49.271 37.335 -15.397 1.00 22.08 C +ATOM 571 OG1 THR A 74 50.494 36.877 -15.919 1.00 23.55 O +ATOM 572 CG2 THR A 74 48.131 36.362 -15.545 1.00 20.84 C +ATOM 573 N VAL A 75 46.686 39.308 -16.114 1.00 26.15 N +ATOM 574 CA VAL A 75 45.485 39.767 -15.462 1.00 27.03 C +ATOM 575 C VAL A 75 44.532 38.586 -15.525 1.00 27.95 C +ATOM 576 O VAL A 75 44.615 37.788 -16.470 1.00 28.55 O +ATOM 577 CB VAL A 75 44.889 40.942 -16.188 1.00 28.94 C +ATOM 578 CG1 VAL A 75 45.879 42.088 -16.276 1.00 28.24 C +ATOM 579 CG2 VAL A 75 44.533 40.507 -17.593 1.00 32.57 C +ATOM 580 N LEU A 76 43.698 38.388 -14.515 1.00 25.08 N +ATOM 581 CA LEU A 76 42.659 37.379 -14.574 1.00 24.93 C +ATOM 582 C LEU A 76 41.361 38.128 -15.011 1.00 24.85 C +ATOM 583 O LEU A 76 41.078 39.182 -14.457 1.00 25.60 O +ATOM 584 CB LEU A 76 42.525 36.733 -13.188 1.00 23.92 C +ATOM 585 CG LEU A 76 43.683 35.899 -12.640 1.00 23.52 C +ATOM 586 CD1 LEU A 76 43.349 35.331 -11.297 1.00 21.29 C +ATOM 587 CD2 LEU A 76 43.860 34.645 -13.449 1.00 23.77 C +ATOM 588 N VAL A 77 40.526 37.780 -16.002 1.00 22.03 N +ATOM 589 CA VAL A 77 39.347 38.530 -16.381 1.00 18.76 C +ATOM 590 C VAL A 77 38.164 37.707 -15.922 1.00 20.01 C +ATOM 591 O VAL A 77 38.164 36.477 -16.069 1.00 23.07 O +ATOM 592 CB VAL A 77 39.463 38.699 -17.845 1.00 15.14 C +ATOM 593 CG1 VAL A 77 38.342 39.450 -18.447 1.00 14.43 C +ATOM 594 CG2 VAL A 77 40.626 39.603 -18.064 1.00 16.89 C +ATOM 595 N GLY A 78 37.125 38.252 -15.315 1.00 21.07 N +ATOM 596 CA GLY A 78 36.102 37.372 -14.768 1.00 22.24 C +ATOM 597 C GLY A 78 35.020 38.159 -14.077 1.00 23.95 C +ATOM 598 O GLY A 78 35.142 39.386 -13.976 1.00 24.34 O +ATOM 599 N PRO A 79 33.905 37.567 -13.627 1.00 26.67 N +ATOM 600 CA PRO A 79 32.810 38.262 -12.975 1.00 25.97 C +ATOM 601 C PRO A 79 33.234 38.541 -11.571 1.00 27.54 C +ATOM 602 O PRO A 79 32.891 37.789 -10.667 1.00 29.83 O +ATOM 603 CB PRO A 79 31.663 37.322 -13.064 1.00 24.99 C +ATOM 604 CG PRO A 79 32.313 35.969 -12.891 1.00 26.76 C +ATOM 605 CD PRO A 79 33.587 36.135 -13.730 1.00 26.35 C +ATOM 606 N THR A 80 34.062 39.561 -11.430 1.00 29.92 N +ATOM 607 CA THR A 80 34.467 40.006 -10.125 1.00 31.28 C +ATOM 608 C THR A 80 33.642 41.253 -9.841 1.00 30.69 C +ATOM 609 O THR A 80 33.395 42.054 -10.755 1.00 30.74 O +ATOM 610 CB THR A 80 35.977 40.286 -10.140 1.00 31.14 C +ATOM 611 OG1 THR A 80 36.230 40.774 -8.827 1.00 34.31 O +ATOM 612 CG2 THR A 80 36.467 41.253 -11.192 1.00 31.36 C +ATOM 613 N PRO A 81 33.159 41.451 -8.593 1.00 30.86 N +ATOM 614 CA PRO A 81 32.448 42.646 -8.163 1.00 28.82 C +ATOM 615 C PRO A 81 33.351 43.823 -8.186 1.00 30.29 C +ATOM 616 O PRO A 81 32.801 44.903 -8.345 1.00 32.67 O +ATOM 617 CB PRO A 81 31.971 42.389 -6.802 1.00 27.93 C +ATOM 618 CG PRO A 81 33.002 41.426 -6.300 1.00 29.66 C +ATOM 619 CD PRO A 81 33.232 40.499 -7.488 1.00 30.62 C +ATOM 620 N VAL A 82 34.682 43.645 -8.034 1.00 31.05 N +ATOM 621 CA VAL A 82 35.612 44.765 -8.065 1.00 28.83 C +ATOM 622 C VAL A 82 36.922 44.465 -8.756 1.00 27.75 C +ATOM 623 O VAL A 82 37.484 43.389 -8.603 1.00 26.34 O +ATOM 624 CB VAL A 82 35.859 45.223 -6.623 1.00 28.09 C +ATOM 625 CG1 VAL A 82 36.469 44.125 -5.817 1.00 30.14 C +ATOM 626 CG2 VAL A 82 36.794 46.404 -6.621 1.00 30.27 C +ATOM 627 N ASN A 83 37.370 45.461 -9.526 1.00 29.18 N +ATOM 628 CA ASN A 83 38.639 45.443 -10.272 1.00 28.94 C +ATOM 629 C ASN A 83 39.782 45.629 -9.295 1.00 24.99 C +ATOM 630 O ASN A 83 39.862 46.671 -8.670 1.00 26.66 O +ATOM 631 CB ASN A 83 38.785 46.588 -11.293 1.00 28.89 C +ATOM 632 CG ASN A 83 37.785 46.604 -12.432 1.00 29.60 C +ATOM 633 OD1 ASN A 83 37.458 45.583 -13.040 1.00 29.95 O +ATOM 634 ND2 ASN A 83 37.264 47.778 -12.774 1.00 30.09 N +ATOM 635 N ILE A 84 40.685 44.694 -9.155 1.00 22.23 N +ATOM 636 CA ILE A 84 41.739 44.698 -8.177 1.00 20.90 C +ATOM 637 C ILE A 84 43.066 44.739 -8.887 1.00 21.88 C +ATOM 638 O ILE A 84 43.198 43.944 -9.813 1.00 25.76 O +ATOM 639 CB ILE A 84 41.477 43.418 -7.398 1.00 19.27 C +ATOM 640 CG1 ILE A 84 40.447 43.766 -6.384 1.00 18.31 C +ATOM 641 CG2 ILE A 84 42.696 42.817 -6.806 1.00 16.40 C +ATOM 642 CD1 ILE A 84 39.778 42.470 -6.030 1.00 18.77 C +ATOM 643 N ILE A 85 44.027 45.615 -8.535 1.00 22.05 N +ATOM 644 CA ILE A 85 45.407 45.630 -9.031 1.00 17.90 C +ATOM 645 C ILE A 85 46.128 45.068 -7.810 1.00 19.90 C +ATOM 646 O ILE A 85 46.132 45.662 -6.732 1.00 19.24 O +ATOM 647 CB ILE A 85 45.872 47.069 -9.335 1.00 16.12 C +ATOM 648 CG1 ILE A 85 45.151 47.643 -10.522 1.00 16.64 C +ATOM 649 CG2 ILE A 85 47.325 47.079 -9.650 1.00 17.17 C +ATOM 650 CD1 ILE A 85 44.934 46.662 -11.685 1.00 17.42 C +ATOM 651 N GLY A 86 46.606 43.844 -7.938 1.00 20.91 N +ATOM 652 CA GLY A 86 47.282 43.168 -6.872 1.00 18.81 C +ATOM 653 C GLY A 86 48.785 43.253 -6.955 1.00 18.11 C +ATOM 654 O GLY A 86 49.353 43.927 -7.796 1.00 20.08 O +ATOM 655 N ARG A 87 49.526 42.527 -6.146 1.00 19.68 N +ATOM 656 CA ARG A 87 50.954 42.682 -6.044 1.00 22.16 C +ATOM 657 C ARG A 87 51.669 42.270 -7.296 1.00 23.54 C +ATOM 658 O ARG A 87 52.629 42.954 -7.653 1.00 27.17 O +ATOM 659 CB ARG A 87 51.492 41.882 -4.870 1.00 22.58 C +ATOM 660 CG ARG A 87 51.364 42.411 -3.416 1.00 20.02 C +ATOM 661 CD ARG A 87 51.431 41.230 -2.453 1.00 20.70 C +ATOM 662 NE ARG A 87 52.592 40.493 -2.890 1.00 24.27 N +ATOM 663 CZ ARG A 87 52.571 39.173 -3.039 1.00 25.80 C +ATOM 664 NH1 ARG A 87 51.557 38.418 -2.631 1.00 23.87 N +ATOM 665 NH2 ARG A 87 53.639 38.592 -3.572 1.00 29.00 N +ATOM 666 N ASN A 88 51.244 41.252 -8.025 1.00 22.12 N +ATOM 667 CA ASN A 88 51.888 40.981 -9.300 1.00 20.95 C +ATOM 668 C ASN A 88 52.044 42.208 -10.180 1.00 20.95 C +ATOM 669 O ASN A 88 53.042 42.222 -10.877 1.00 29.02 O +ATOM 670 CB ASN A 88 51.152 39.960 -10.153 1.00 19.19 C +ATOM 671 CG ASN A 88 49.936 40.458 -10.896 1.00 19.97 C +ATOM 672 OD1 ASN A 88 49.022 41.040 -10.334 1.00 21.79 O +ATOM 673 ND2 ASN A 88 49.817 40.245 -12.178 1.00 21.89 N +ATOM 674 N LEU A 89 51.232 43.269 -10.188 1.00 19.00 N +ATOM 675 CA LEU A 89 51.485 44.433 -11.016 1.00 16.67 C +ATOM 676 C LEU A 89 51.927 45.584 -10.153 1.00 20.27 C +ATOM 677 O LEU A 89 52.550 46.498 -10.721 1.00 21.78 O +ATOM 678 CB LEU A 89 50.280 44.935 -11.753 1.00 16.26 C +ATOM 679 CG LEU A 89 49.820 44.346 -13.061 1.00 17.65 C +ATOM 680 CD1 LEU A 89 50.334 42.999 -13.310 1.00 13.72 C +ATOM 681 CD2 LEU A 89 48.348 44.177 -12.972 1.00 14.15 C +ATOM 682 N LEU A 90 51.700 45.624 -8.814 1.00 20.37 N +ATOM 683 CA LEU A 90 52.110 46.793 -8.029 1.00 19.58 C +ATOM 684 C LEU A 90 53.621 46.880 -8.070 1.00 19.01 C +ATOM 685 O LEU A 90 54.183 47.940 -8.264 1.00 21.38 O +ATOM 686 CB LEU A 90 51.522 46.655 -6.601 1.00 17.94 C +ATOM 687 CG LEU A 90 49.992 46.986 -6.521 1.00 17.38 C +ATOM 688 CD1 LEU A 90 49.358 46.747 -5.161 1.00 13.95 C +ATOM 689 CD2 LEU A 90 49.835 48.442 -6.773 1.00 17.30 C +ATOM 690 N THR A 91 54.302 45.756 -7.985 1.00 19.65 N +ATOM 691 CA THR A 91 55.719 45.544 -8.243 1.00 17.45 C +ATOM 692 C THR A 91 56.340 46.269 -9.450 1.00 19.06 C +ATOM 693 O THR A 91 57.270 47.044 -9.376 1.00 21.41 O +ATOM 694 CB THR A 91 55.698 44.078 -8.305 1.00 16.72 C +ATOM 695 OG1 THR A 91 55.678 43.640 -6.960 1.00 18.35 O +ATOM 696 CG2 THR A 91 56.765 43.537 -9.110 1.00 19.54 C +ATOM 697 N GLN A 92 55.756 46.119 -10.609 1.00 21.27 N +ATOM 698 CA GLN A 92 56.232 46.651 -11.858 1.00 20.97 C +ATOM 699 C GLN A 92 56.182 48.160 -11.890 1.00 24.65 C +ATOM 700 O GLN A 92 57.097 48.824 -12.407 1.00 25.07 O +ATOM 701 CB GLN A 92 55.371 46.042 -12.948 1.00 20.36 C +ATOM 702 CG GLN A 92 55.470 44.510 -12.878 1.00 22.05 C +ATOM 703 CD GLN A 92 56.823 43.994 -13.317 1.00 20.82 C +ATOM 704 OE1 GLN A 92 57.359 44.491 -14.289 1.00 23.82 O +ATOM 705 NE2 GLN A 92 57.453 43.020 -12.712 1.00 19.35 N +ATOM 706 N ILE A 93 55.097 48.725 -11.334 1.00 26.18 N +ATOM 707 CA ILE A 93 55.001 50.180 -11.313 1.00 23.58 C +ATOM 708 C ILE A 93 55.877 50.738 -10.185 1.00 25.20 C +ATOM 709 O ILE A 93 56.062 51.954 -10.120 1.00 26.86 O +ATOM 710 CB ILE A 93 53.509 50.654 -11.162 1.00 22.03 C +ATOM 711 CG1 ILE A 93 52.767 50.152 -9.946 1.00 19.71 C +ATOM 712 CG2 ILE A 93 52.831 50.176 -12.420 1.00 21.76 C +ATOM 713 CD1 ILE A 93 51.346 50.649 -9.893 1.00 17.74 C +ATOM 714 N GLY A 94 56.481 49.908 -9.321 1.00 25.08 N +ATOM 715 CA GLY A 94 57.347 50.391 -8.267 1.00 27.50 C +ATOM 716 C GLY A 94 56.581 50.826 -7.021 1.00 31.49 C +ATOM 717 O GLY A 94 57.015 51.717 -6.280 1.00 37.88 O +ATOM 718 N CYS A 95 55.436 50.234 -6.687 1.00 30.11 N +ATOM 719 CA CYS A 95 54.716 50.613 -5.473 1.00 27.44 C +ATOM 720 C CYS A 95 55.480 50.187 -4.250 1.00 28.09 C +ATOM 721 O CYS A 95 56.080 49.088 -4.211 1.00 29.17 O +ATOM 722 CB CYS A 95 53.406 49.930 -5.351 1.00 28.45 C +ATOM 723 SG CYS A 95 52.095 51.119 -5.127 1.00 26.13 S +ATOM 724 N THR A 96 55.439 51.068 -3.265 1.00 25.53 N +ATOM 725 CA THR A 96 55.903 50.713 -1.945 1.00 24.82 C +ATOM 726 C THR A 96 54.875 51.163 -0.898 1.00 25.75 C +ATOM 727 O THR A 96 54.017 52.019 -1.197 1.00 25.65 O +ATOM 728 CB THR A 96 57.257 51.368 -1.703 1.00 25.50 C +ATOM 729 OG1 THR A 96 57.234 52.688 -2.253 1.00 29.44 O +ATOM 730 CG2 THR A 96 58.353 50.530 -2.281 1.00 26.19 C +ATOM 731 N LEU A 97 54.840 50.543 0.282 1.00 24.36 N +ATOM 732 CA LEU A 97 54.052 51.039 1.392 1.00 24.24 C +ATOM 733 C LEU A 97 55.071 51.775 2.238 1.00 23.77 C +ATOM 734 O LEU A 97 56.187 51.341 2.511 1.00 16.34 O +ATOM 735 CB LEU A 97 53.417 49.899 2.169 1.00 26.39 C +ATOM 736 CG LEU A 97 52.222 49.121 1.577 1.00 26.50 C +ATOM 737 CD1 LEU A 97 52.131 47.738 2.222 1.00 27.12 C +ATOM 738 CD2 LEU A 97 50.938 49.890 1.818 1.00 26.32 C +ATOM 739 N ASN A 98 54.709 52.975 2.618 1.00 27.93 N +ATOM 740 CA ASN A 98 55.612 53.860 3.315 1.00 28.65 C +ATOM 741 C ASN A 98 54.963 54.500 4.507 1.00 28.98 C +ATOM 742 O ASN A 98 53.869 55.078 4.352 1.00 32.28 O +ATOM 743 CB ASN A 98 56.039 54.934 2.386 1.00 32.43 C +ATOM 744 CG ASN A 98 56.972 54.451 1.305 1.00 36.47 C +ATOM 745 OD1 ASN A 98 58.188 54.419 1.464 1.00 39.74 O +ATOM 746 ND2 ASN A 98 56.447 54.033 0.164 1.00 39.07 N +ATOM 747 N PHE A 99 55.613 54.393 5.658 1.00 29.40 N +ATOM 748 CA PHE A 99 55.232 55.089 6.899 1.00 33.20 C +ATOM 749 C PHE A 99 56.437 55.175 7.844 1.00 36.13 C +ATOM 750 O PHE A 99 57.487 54.635 7.494 1.00 40.14 O +ATOM 751 CB PHE A 99 54.112 54.384 7.645 1.00 30.74 C +ATOM 752 CG PHE A 99 54.412 52.971 8.056 1.00 30.41 C +ATOM 753 CD1 PHE A 99 54.272 51.950 7.139 1.00 31.67 C +ATOM 754 CD2 PHE A 99 54.808 52.714 9.330 1.00 29.01 C +ATOM 755 CE1 PHE A 99 54.532 50.652 7.504 1.00 30.12 C +ATOM 756 CE2 PHE A 99 55.060 51.415 9.685 1.00 29.33 C +ATOM 757 CZ PHE A 99 54.925 50.386 8.786 1.00 29.59 C +ATOM 758 OXT PHE A 99 56.356 55.723 8.949 1.00 40.86 O +TER 759 PHE A 99 +END diff --git a/bench/main_benchmark/structures/SFB_OL_HIVPR_1HHPA_3HVPA/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_HIVPR_1HHPA_3HVPA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..a94d3466a340747b2c3c1892025c4cccd3060512 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_HIVPR_1HHPA_3HVPA/state_b.pdb @@ -0,0 +1,748 @@ +ATOM 1 N PRO A 1 52.806 59.200 -7.884 1.00 24.71 N +ATOM 2 CA PRO A 1 51.772 59.615 -6.977 1.00 23.91 C +ATOM 3 C PRO A 1 52.206 59.337 -5.565 1.00 23.37 C +ATOM 4 O PRO A 1 53.169 58.587 -5.490 1.00 23.65 O +ATOM 5 CB PRO A 1 50.804 58.396 -7.220 1.00 23.93 C +ATOM 6 CG PRO A 1 50.735 58.447 -8.706 1.00 24.66 C +ATOM 7 CD PRO A 1 52.074 59.004 -9.186 1.00 25.06 C +ATOM 8 N GLN A 2 51.322 59.914 -4.759 1.00 22.56 N +ATOM 9 CA GLN A 2 51.396 59.546 -3.345 1.00 21.01 C +ATOM 10 C GLN A 2 49.938 59.279 -2.934 1.00 18.06 C +ATOM 11 O GLN A 2 49.201 60.256 -2.877 1.00 18.32 O +ATOM 12 CB GLN A 2 52.071 60.348 -2.301 1.00 31.17 C +ATOM 13 CG GLN A 2 51.866 59.908 -0.837 1.00 37.14 C +ATOM 14 CD GLN A 2 53.123 60.221 -0.020 1.00 42.00 C +ATOM 15 OE1 GLN A 2 53.387 61.229 0.660 1.00 45.59 O +ATOM 16 NE2 GLN A 2 54.090 59.293 -0.113 1.00 43.28 N +ATOM 17 N ILE A 3 49.649 58.028 -2.690 1.00 15.27 N +ATOM 18 CA ILE A 3 48.262 57.875 -2.266 1.00 13.07 C +ATOM 19 C ILE A 3 48.112 57.720 -0.761 1.00 11.16 C +ATOM 20 O ILE A 3 48.951 57.028 -0.159 1.00 11.45 O +ATOM 21 CB ILE A 3 47.649 56.690 -3.030 1.00 12.93 C +ATOM 22 CG1 ILE A 3 47.964 56.746 -4.504 1.00 11.21 C +ATOM 23 CG2 ILE A 3 46.119 56.795 -2.735 1.00 17.15 C +ATOM 24 CD1 ILE A 3 46.917 57.296 -5.442 1.00 13.19 C +ATOM 25 N THR A 4 47.095 58.329 -0.210 1.00 9.36 N +ATOM 26 CA THR A 4 46.763 58.188 1.206 1.00 9.43 C +ATOM 27 C THR A 4 45.568 57.220 1.342 1.00 10.41 C +ATOM 28 O THR A 4 44.815 56.998 0.336 1.00 11.59 O +ATOM 29 CB THR A 4 46.564 59.528 1.937 1.00 5.90 C +ATOM 30 OG1 THR A 4 45.986 60.524 1.095 1.00 9.65 O +ATOM 31 CG2 THR A 4 47.783 60.085 2.648 1.00 5.81 C +ATOM 32 N LEU A 5 45.346 56.585 2.514 1.00 10.33 N +ATOM 33 CA LEU A 5 44.284 55.596 2.646 1.00 9.51 C +ATOM 34 C LEU A 5 43.079 55.895 3.515 1.00 9.90 C +ATOM 35 O LEU A 5 42.477 54.945 4.018 1.00 8.37 O +ATOM 36 CB LEU A 5 44.917 54.229 2.976 1.00 3.81 C +ATOM 37 CG LEU A 5 46.182 53.844 2.285 1.00 2.63 C +ATOM 38 CD1 LEU A 5 46.934 52.789 3.096 1.00 2.44 C +ATOM 39 CD2 LEU A 5 45.947 53.453 0.846 1.00 2.00 C +ATOM 40 N TRP A 6 42.713 57.152 3.507 1.00 12.00 N +ATOM 41 CA TRP A 6 41.532 57.732 4.185 1.00 14.92 C +ATOM 42 C TRP A 6 40.238 57.216 3.465 1.00 17.11 C +ATOM 43 O TRP A 6 39.024 57.070 3.817 1.00 17.80 O +ATOM 44 CB TRP A 6 41.619 59.282 4.226 1.00 15.92 C +ATOM 45 CG TRP A 6 42.681 59.830 5.095 1.00 16.58 C +ATOM 46 CD1 TRP A 6 43.847 60.321 4.623 1.00 20.79 C +ATOM 47 CD2 TRP A 6 42.749 59.981 6.519 1.00 19.53 C +ATOM 48 NE1 TRP A 6 44.715 60.673 5.657 1.00 23.36 N +ATOM 49 CE2 TRP A 6 44.049 60.488 6.841 1.00 21.73 C +ATOM 50 CE3 TRP A 6 41.879 59.682 7.579 1.00 18.87 C +ATOM 51 CZ2 TRP A 6 44.542 60.643 8.142 1.00 19.22 C +ATOM 52 CZ3 TRP A 6 42.285 59.866 8.889 1.00 14.81 C +ATOM 53 CH2 TRP A 6 43.580 60.333 9.112 1.00 20.70 C +ATOM 54 N GLN A 7 40.595 56.747 2.243 1.00 18.03 N +ATOM 55 CA GLN A 7 39.537 56.220 1.375 1.00 18.47 C +ATOM 56 C GLN A 7 40.054 55.351 0.251 1.00 18.25 C +ATOM 57 O GLN A 7 40.916 55.764 -0.553 1.00 20.26 O +ATOM 58 CB GLN A 7 38.813 57.506 0.958 1.00 19.83 C +ATOM 59 CG GLN A 7 37.814 57.173 -0.135 1.00 22.55 C +ATOM 60 CD GLN A 7 36.582 56.387 0.439 1.00 25.07 C +ATOM 61 OE1 GLN A 7 35.906 55.740 -0.507 1.00 24.83 O +ATOM 62 NE2 GLN A 7 36.468 56.548 1.826 1.00 23.50 N +ATOM 63 N ARG A 8 39.537 54.139 0.156 1.00 16.28 N +ATOM 64 CA ARG A 8 39.933 53.098 -0.770 1.00 14.21 C +ATOM 65 C ARG A 8 40.745 53.650 -1.924 1.00 12.77 C +ATOM 66 O ARG A 8 40.315 54.571 -2.613 1.00 13.74 O +ATOM 67 CB ARG A 8 38.749 52.308 -1.270 1.00 16.14 C +ATOM 68 CG ARG A 8 37.522 53.210 -1.456 1.00 22.82 C +ATOM 69 CD ARG A 8 36.397 52.296 -1.909 1.00 27.36 C +ATOM 70 NE ARG A 8 36.127 51.290 -0.874 1.00 30.72 N +ATOM 71 CZ ARG A 8 35.240 50.293 -0.997 1.00 32.82 C +ATOM 72 NH1 ARG A 8 34.718 50.123 -2.234 1.00 33.86 N +ATOM 73 NH2 ARG A 8 34.817 49.623 0.111 1.00 33.72 N +ATOM 74 N PRO A 9 41.896 53.030 -2.059 1.00 10.74 N +ATOM 75 CA PRO A 9 42.816 53.415 -3.097 1.00 9.55 C +ATOM 76 C PRO A 9 42.277 53.147 -4.464 1.00 9.20 C +ATOM 77 O PRO A 9 42.839 52.335 -5.217 1.00 10.42 O +ATOM 78 CB PRO A 9 44.136 52.784 -2.725 1.00 8.73 C +ATOM 79 CG PRO A 9 43.803 51.660 -1.836 1.00 8.09 C +ATOM 80 CD PRO A 9 42.449 51.947 -1.282 1.00 9.39 C +ATOM 81 N LEU A 10 41.277 53.929 -4.864 1.00 8.70 N +ATOM 82 CA LEU A 10 40.869 53.746 -6.295 1.00 9.83 C +ATOM 83 C LEU A 10 41.607 54.506 -7.386 1.00 9.75 C +ATOM 84 O LEU A 10 41.655 55.747 -7.464 1.00 10.62 O +ATOM 85 CB LEU A 10 39.351 53.788 -6.368 1.00 9.40 C +ATOM 86 CG LEU A 10 38.835 52.460 -5.845 1.00 13.69 C +ATOM 87 CD1 LEU A 10 37.385 52.268 -6.242 1.00 13.71 C +ATOM 88 CD2 LEU A 10 39.657 51.304 -6.461 1.00 8.07 C +ATOM 89 N VAL A 11 42.337 53.758 -8.223 1.00 8.91 N +ATOM 90 CA VAL A 11 43.041 54.523 -9.250 1.00 8.38 C +ATOM 91 C VAL A 11 42.493 53.927 -10.525 1.00 8.81 C +ATOM 92 O VAL A 11 42.136 52.779 -10.284 1.00 8.04 O +ATOM 93 CB VAL A 11 44.534 54.519 -9.200 1.00 9.05 C +ATOM 94 CG1 VAL A 11 44.918 55.101 -7.840 1.00 7.17 C +ATOM 95 CG2 VAL A 11 45.189 53.242 -9.637 1.00 6.82 C +ATOM 96 N THR A 12 42.449 54.802 -11.460 1.00 9.92 N +ATOM 97 CA THR A 12 42.010 54.506 -12.808 1.00 13.08 C +ATOM 98 C THR A 12 43.243 54.053 -13.618 1.00 15.12 C +ATOM 99 O THR A 12 44.317 54.648 -13.653 1.00 16.10 O +ATOM 100 CB THR A 12 41.380 55.733 -13.575 1.00 17.71 C +ATOM 101 OG1 THR A 12 41.888 55.680 -14.935 1.00 17.13 O +ATOM 102 CG2 THR A 12 41.706 57.068 -12.863 1.00 22.57 C +ATOM 103 N ILE A 13 42.999 52.988 -14.291 1.00 16.15 N +ATOM 104 CA ILE A 13 43.845 52.226 -15.141 1.00 18.51 C +ATOM 105 C ILE A 13 43.275 52.032 -16.564 1.00 19.83 C +ATOM 106 O ILE A 13 42.050 51.884 -16.805 1.00 20.50 O +ATOM 107 CB ILE A 13 43.923 50.797 -14.448 1.00 17.65 C +ATOM 108 CG1 ILE A 13 44.528 49.735 -15.434 1.00 17.22 C +ATOM 109 CG2 ILE A 13 42.507 50.382 -14.030 1.00 21.66 C +ATOM 110 CD1 ILE A 13 44.139 48.307 -15.035 1.00 14.82 C +ATOM 111 N ARG A 14 44.245 51.884 -17.448 1.00 20.29 N +ATOM 112 CA ARG A 14 43.874 51.627 -18.844 1.00 21.66 C +ATOM 113 C ARG A 14 44.494 50.312 -19.260 1.00 21.97 C +ATOM 114 O ARG A 14 45.699 50.059 -19.044 1.00 21.67 O +ATOM 115 CB ARG A 14 44.395 52.836 -19.585 1.00 24.94 C +ATOM 116 CG ARG A 14 44.396 52.710 -21.087 1.00 28.58 C +ATOM 117 CD ARG A 14 45.137 53.940 -21.621 1.00 31.46 C +ATOM 118 NE ARG A 14 45.093 53.881 -23.045 1.00 37.60 N +ATOM 119 CZ ARG A 14 45.062 52.984 -24.054 1.00 40.48 C +ATOM 120 NH1 ARG A 14 44.970 51.625 -23.964 1.00 40.79 N +ATOM 121 NH2 ARG A 14 45.246 53.572 -25.304 1.00 39.94 N +ATOM 122 N ILE A 15 43.647 49.498 -19.821 1.00 22.51 N +ATOM 123 CA ILE A 15 44.015 48.183 -20.330 1.00 23.58 C +ATOM 124 C ILE A 15 43.273 47.916 -21.625 1.00 26.00 C +ATOM 125 O ILE A 15 42.086 47.591 -21.625 1.00 27.10 O +ATOM 126 CB ILE A 15 43.764 46.978 -19.395 1.00 15.71 C +ATOM 127 CG1 ILE A 15 44.607 45.786 -19.966 1.00 14.18 C +ATOM 128 CG2 ILE A 15 42.315 46.522 -19.133 1.00 9.96 C +ATOM 129 CD1 ILE A 15 44.577 44.617 -18.909 1.00 15.17 C +ATOM 130 N GLY A 16 43.954 48.114 -22.716 1.00 28.20 N +ATOM 131 CA GLY A 16 43.400 47.863 -24.045 1.00 30.04 C +ATOM 132 C GLY A 16 42.180 48.621 -24.548 1.00 30.95 C +ATOM 133 O GLY A 16 41.060 48.027 -24.796 1.00 31.31 O +ATOM 134 N GLY A 17 42.444 49.906 -24.841 1.00 31.01 N +ATOM 135 CA GLY A 17 41.401 50.828 -25.386 1.00 30.51 C +ATOM 136 C GLY A 17 40.813 51.389 -24.079 1.00 30.57 C +ATOM 137 O GLY A 17 40.916 52.573 -23.719 1.00 32.04 O +ATOM 138 N GLN A 18 40.349 50.390 -23.380 1.00 29.57 N +ATOM 139 CA GLN A 18 39.682 50.313 -22.118 1.00 28.53 C +ATOM 140 C GLN A 18 40.486 50.906 -20.964 1.00 27.77 C +ATOM 141 O GLN A 18 41.696 50.725 -20.755 1.00 27.94 O +ATOM 142 CB GLN A 18 39.194 48.885 -21.858 1.00 30.67 C +ATOM 143 CG GLN A 18 38.083 48.346 -22.750 1.00 34.90 C +ATOM 144 CD GLN A 18 36.649 48.718 -22.504 1.00 36.34 C +ATOM 145 OE1 GLN A 18 35.730 47.910 -22.207 1.00 38.96 O +ATOM 146 NE2 GLN A 18 36.287 50.005 -22.614 1.00 37.41 N +ATOM 147 N LEU A 19 39.690 51.704 -20.263 1.00 26.64 N +ATOM 148 CA LEU A 19 39.955 52.418 -19.039 1.00 24.73 C +ATOM 149 C LEU A 19 38.951 51.814 -18.025 1.00 23.14 C +ATOM 150 O LEU A 19 38.015 51.135 -18.453 1.00 23.43 O +ATOM 151 CB LEU A 19 39.551 53.875 -19.043 1.00 22.91 C +ATOM 152 CG LEU A 19 40.405 54.826 -19.812 1.00 23.91 C +ATOM 153 CD1 LEU A 19 39.743 56.184 -19.564 1.00 26.30 C +ATOM 154 CD2 LEU A 19 41.848 54.796 -19.356 1.00 23.26 C +ATOM 155 N LYS A 20 39.234 52.244 -16.836 1.00 21.19 N +ATOM 156 CA LYS A 20 38.362 51.819 -15.713 1.00 19.68 C +ATOM 157 C LYS A 20 39.191 52.057 -14.476 1.00 18.51 C +ATOM 158 O LYS A 20 40.352 52.464 -14.679 1.00 19.33 O +ATOM 159 CB LYS A 20 37.970 50.388 -15.821 1.00 20.09 C +ATOM 160 CG LYS A 20 39.005 49.323 -16.165 1.00 17.82 C +ATOM 161 CD LYS A 20 38.149 48.088 -16.495 1.00 15.51 C +ATOM 162 CE LYS A 20 37.379 48.334 -17.782 1.00 15.40 C +ATOM 163 NZ LYS A 20 37.469 47.105 -18.667 1.00 19.46 N +ATOM 164 N GLU A 21 38.616 51.815 -13.344 1.00 16.27 N +ATOM 165 CA GLU A 21 39.513 52.050 -12.165 1.00 14.79 C +ATOM 166 C GLU A 21 39.529 50.761 -11.389 1.00 14.22 C +ATOM 167 O GLU A 21 38.610 49.929 -11.684 1.00 16.18 O +ATOM 168 CB GLU A 21 38.770 53.103 -11.376 1.00 18.36 C +ATOM 169 CG GLU A 21 37.246 53.069 -11.490 1.00 24.65 C +ATOM 170 CD GLU A 21 36.373 53.801 -10.500 1.00 30.33 C +ATOM 171 OE1 GLU A 21 35.172 53.410 -10.449 1.00 33.87 O +ATOM 172 OE2 GLU A 21 36.830 54.739 -9.754 1.00 28.57 O +ATOM 173 N ALA A 22 40.420 50.576 -10.456 1.00 11.33 N +ATOM 174 CA ALA A 22 40.300 49.319 -9.643 1.00 9.04 C +ATOM 175 C ALA A 22 41.138 49.660 -8.435 1.00 8.35 C +ATOM 176 O ALA A 22 41.802 50.751 -8.491 1.00 9.45 O +ATOM 177 CB ALA A 22 41.014 48.295 -10.449 1.00 12.69 C +ATOM 178 N LEU A 23 41.222 48.877 -7.400 1.00 6.16 N +ATOM 179 CA LEU A 23 42.027 49.275 -6.282 1.00 4.23 C +ATOM 180 C LEU A 23 43.471 48.893 -6.437 1.00 3.26 C +ATOM 181 O LEU A 23 43.874 47.807 -6.813 1.00 3.72 O +ATOM 182 CB LEU A 23 41.604 48.479 -5.030 1.00 3.99 C +ATOM 183 CG LEU A 23 40.188 48.551 -4.472 1.00 2.00 C +ATOM 184 CD1 LEU A 23 40.014 47.351 -3.611 1.00 2.00 C +ATOM 185 CD2 LEU A 23 40.211 49.749 -3.573 1.00 2.00 C +ATOM 186 N LEU A 24 44.246 49.841 -6.053 1.00 2.79 N +ATOM 187 CA LEU A 24 45.671 49.458 -5.852 1.00 2.84 C +ATOM 188 C LEU A 24 45.433 48.537 -4.650 1.00 3.20 C +ATOM 189 O LEU A 24 44.656 49.016 -3.800 1.00 4.14 O +ATOM 190 CB LEU A 24 46.242 50.853 -5.539 1.00 2.00 C +ATOM 191 CG LEU A 24 46.554 51.508 -6.880 1.00 2.02 C +ATOM 192 CD1 LEU A 24 47.299 52.808 -6.632 1.00 2.00 C +ATOM 193 CD2 LEU A 24 47.539 50.536 -7.569 1.00 2.00 C +ATOM 194 N ASP A 25 45.960 47.359 -4.465 1.00 3.35 N +ATOM 195 CA ASP A 25 45.622 46.541 -3.293 1.00 3.66 C +ATOM 196 C ASP A 25 46.758 45.645 -2.881 1.00 4.05 C +ATOM 197 O ASP A 25 46.844 44.521 -3.444 1.00 5.10 O +ATOM 198 CB ASP A 25 44.479 45.595 -3.717 1.00 5.32 C +ATOM 199 CG ASP A 25 44.146 44.641 -2.616 1.00 5.38 C +ATOM 200 OD1 ASP A 25 44.724 44.734 -1.506 1.00 5.24 O +ATOM 201 OD2 ASP A 25 43.266 43.790 -2.881 1.00 8.81 O +ATOM 202 N THR A 26 47.493 45.996 -1.862 1.00 3.98 N +ATOM 203 CA THR A 26 48.636 45.176 -1.462 1.00 2.63 C +ATOM 204 C THR A 26 48.065 43.951 -0.810 1.00 2.91 C +ATOM 205 O THR A 26 48.917 43.271 -0.270 1.00 3.70 O +ATOM 206 CB THR A 26 49.474 46.015 -0.471 1.00 2.20 C +ATOM 207 OG1 THR A 26 48.529 45.980 0.676 1.00 2.87 O +ATOM 208 CG2 THR A 26 49.750 47.467 -0.903 1.00 2.00 C +ATOM 209 N GLY A 27 46.801 43.685 -0.797 1.00 3.32 N +ATOM 210 CA GLY A 27 46.236 42.507 -0.107 1.00 4.29 C +ATOM 211 C GLY A 27 46.590 41.309 -0.976 1.00 4.91 C +ATOM 212 O GLY A 27 47.467 40.477 -0.658 1.00 4.84 O +ATOM 213 N ALA A 28 46.000 41.397 -2.152 1.00 5.49 N +ATOM 214 CA ALA A 28 46.043 40.447 -3.205 1.00 7.48 C +ATOM 215 C ALA A 28 47.309 40.151 -4.027 1.00 8.56 C +ATOM 216 O ALA A 28 48.106 40.974 -4.501 1.00 10.33 O +ATOM 217 CB ALA A 28 44.996 40.667 -4.320 1.00 10.94 C +ATOM 218 N ASP A 29 47.425 38.851 -4.357 1.00 7.52 N +ATOM 219 CA ASP A 29 48.548 38.363 -5.099 1.00 5.93 C +ATOM 220 C ASP A 29 48.377 38.687 -6.543 1.00 5.53 C +ATOM 221 O ASP A 29 49.323 39.024 -7.219 1.00 6.52 O +ATOM 222 CB ASP A 29 48.526 36.889 -4.681 1.00 10.52 C +ATOM 223 CG ASP A 29 49.159 36.769 -3.301 1.00 14.94 C +ATOM 224 OD1 ASP A 29 48.711 37.183 -2.217 1.00 15.81 O +ATOM 225 OD2 ASP A 29 50.254 36.155 -3.401 1.00 17.38 O +ATOM 226 N ASP A 30 47.273 38.569 -7.136 1.00 4.89 N +ATOM 227 CA ASP A 30 46.691 38.686 -8.422 1.00 3.95 C +ATOM 228 C ASP A 30 45.863 39.902 -8.730 1.00 3.63 C +ATOM 229 O ASP A 30 45.071 40.463 -7.950 1.00 3.22 O +ATOM 230 CB ASP A 30 45.722 37.446 -8.297 1.00 8.26 C +ATOM 231 CG ASP A 30 46.662 36.270 -8.488 1.00 16.02 C +ATOM 232 OD1 ASP A 30 47.077 35.400 -7.727 1.00 19.20 O +ATOM 233 OD2 ASP A 30 47.026 36.386 -9.715 1.00 23.40 O +ATOM 234 N THR A 31 46.051 40.299 -9.965 1.00 3.86 N +ATOM 235 CA THR A 31 45.262 41.411 -10.507 1.00 4.92 C +ATOM 236 C THR A 31 44.016 40.751 -11.142 1.00 6.09 C +ATOM 237 O THR A 31 44.364 39.715 -11.703 1.00 7.72 O +ATOM 238 CB THR A 31 45.922 42.213 -11.645 1.00 2.51 C +ATOM 239 OG1 THR A 31 46.958 43.030 -11.040 1.00 3.26 O +ATOM 240 CG2 THR A 31 44.847 43.013 -12.360 1.00 2.66 C +ATOM 241 N VAL A 32 42.837 41.219 -10.974 1.00 6.34 N +ATOM 242 CA VAL A 32 41.584 40.667 -11.452 1.00 7.25 C +ATOM 243 C VAL A 32 40.647 41.822 -11.791 1.00 9.01 C +ATOM 244 O VAL A 32 40.293 42.600 -10.924 1.00 11.24 O +ATOM 245 CB VAL A 32 40.989 39.819 -10.349 1.00 4.65 C +ATOM 246 CG1 VAL A 32 39.705 39.093 -10.531 1.00 6.71 C +ATOM 247 CG2 VAL A 32 42.090 38.816 -10.094 1.00 7.01 C +ATOM 248 N LEU A 33 40.298 41.883 -13.025 1.00 8.88 N +ATOM 249 CA LEU A 33 39.431 42.787 -13.664 1.00 9.68 C +ATOM 250 C LEU A 33 38.168 42.062 -14.162 1.00 9.95 C +ATOM 251 O LEU A 33 38.146 40.931 -14.566 1.00 8.01 O +ATOM 252 CB LEU A 33 40.196 43.334 -14.911 1.00 13.42 C +ATOM 253 CG LEU A 33 41.594 43.870 -14.687 1.00 12.76 C +ATOM 254 CD1 LEU A 33 42.254 44.321 -15.965 1.00 5.67 C +ATOM 255 CD2 LEU A 33 41.313 44.994 -13.662 1.00 7.23 C +ATOM 256 N GLU A 34 37.140 42.834 -14.190 1.00 12.66 N +ATOM 257 CA GLU A 34 35.830 42.517 -14.682 1.00 16.79 C +ATOM 258 C GLU A 34 35.882 42.144 -16.188 1.00 18.43 C +ATOM 259 O GLU A 34 36.669 42.734 -16.967 1.00 18.45 O +ATOM 260 CB GLU A 34 34.995 43.807 -14.683 1.00 24.56 C +ATOM 261 CG GLU A 34 35.499 44.945 -15.627 1.00 27.58 C +ATOM 262 CD GLU A 34 34.645 46.196 -15.460 1.00 29.74 C +ATOM 263 OE1 GLU A 34 33.729 46.145 -14.610 1.00 27.22 O +ATOM 264 OE2 GLU A 34 35.013 47.152 -16.212 1.00 29.26 O +ATOM 265 N GLU A 35 34.925 41.303 -16.545 1.00 19.64 N +ATOM 266 CA GLU A 35 34.797 40.816 -17.900 1.00 21.20 C +ATOM 267 C GLU A 35 35.051 41.906 -18.929 1.00 22.45 C +ATOM 268 O GLU A 35 34.276 42.868 -19.029 1.00 22.83 O +ATOM 269 CB GLU A 35 33.476 40.159 -18.303 1.00 19.67 C +ATOM 270 CG GLU A 35 33.447 39.605 -19.756 1.00 20.42 C +ATOM 271 CD GLU A 35 34.466 38.498 -19.919 1.00 18.89 C +ATOM 272 OE1 GLU A 35 34.293 37.474 -19.262 1.00 18.56 O +ATOM 273 OE2 GLU A 35 35.418 38.864 -20.649 1.00 13.41 O +ATOM 274 N MET A 36 36.112 41.665 -19.670 1.00 23.83 N +ATOM 275 CA MET A 36 36.534 42.526 -20.806 1.00 25.32 C +ATOM 276 C MET A 36 37.136 41.514 -21.816 1.00 25.75 C +ATOM 277 O MET A 36 37.420 40.327 -21.586 1.00 25.54 O +ATOM 278 CB MET A 36 37.386 43.712 -20.519 1.00 24.86 C +ATOM 279 CG MET A 36 38.709 43.204 -19.871 1.00 24.73 C +ATOM 280 SD MET A 36 39.506 44.802 -19.541 1.00 25.84 S +ATOM 281 CE MET A 36 39.396 45.516 -21.217 1.00 23.39 C +ATOM 282 N ASN A 37 37.231 42.061 -22.971 1.00 26.41 N +ATOM 283 CA ASN A 37 37.582 41.450 -24.245 1.00 27.10 C +ATOM 284 C ASN A 37 39.017 41.675 -24.679 1.00 27.02 C +ATOM 285 O ASN A 37 39.496 42.488 -25.472 1.00 26.70 O +ATOM 286 CB ASN A 37 36.475 41.970 -25.241 1.00 30.99 C +ATOM 287 CG ASN A 37 36.627 41.324 -26.605 1.00 24.68 C +ATOM 288 OD1 ASN A 37 36.958 40.058 -26.560 1.00 25.98 O +ATOM 289 ND2 ASN A 37 36.451 41.961 -27.806 1.00 24.43 N +ATOM 290 N LEU A 38 39.770 40.828 -23.998 1.00 26.86 N +ATOM 291 CA LEU A 38 41.208 40.772 -24.326 1.00 26.21 C +ATOM 292 C LEU A 38 41.279 39.675 -25.409 1.00 26.85 C +ATOM 293 O LEU A 38 40.553 38.682 -25.432 1.00 25.20 O +ATOM 294 CB LEU A 38 41.960 40.442 -23.068 1.00 17.77 C +ATOM 295 CG LEU A 38 41.895 41.513 -22.009 1.00 14.36 C +ATOM 296 CD1 LEU A 38 42.422 40.904 -20.709 1.00 9.90 C +ATOM 297 CD2 LEU A 38 42.881 42.549 -22.510 1.00 6.87 C +ATOM 298 N PRO A 39 42.284 39.955 -26.199 1.00 28.24 N +ATOM 299 CA PRO A 39 42.702 39.093 -27.332 1.00 28.94 C +ATOM 300 C PRO A 39 43.026 37.630 -26.973 1.00 29.67 C +ATOM 301 O PRO A 39 42.137 36.780 -26.608 1.00 30.47 O +ATOM 302 CB PRO A 39 43.897 39.888 -27.860 1.00 28.58 C +ATOM 303 CG PRO A 39 44.480 40.534 -26.591 1.00 28.62 C +ATOM 304 CD PRO A 39 43.171 41.156 -26.045 1.00 28.38 C +ATOM 305 N GLY A 40 44.287 37.219 -27.039 1.00 29.15 N +ATOM 306 CA GLY A 40 44.964 36.010 -26.853 1.00 28.22 C +ATOM 307 C GLY A 40 44.690 34.777 -26.071 1.00 27.40 C +ATOM 308 O GLY A 40 43.670 34.597 -25.401 1.00 27.22 O +ATOM 309 N LYS A 41 45.628 33.829 -26.128 1.00 26.64 N +ATOM 310 CA LYS A 41 45.524 32.539 -25.426 1.00 26.95 C +ATOM 311 C LYS A 41 45.395 32.875 -23.907 1.00 26.60 C +ATOM 312 O LYS A 41 46.091 33.678 -23.201 1.00 26.89 O +ATOM 313 CB LYS A 41 46.574 31.491 -25.732 1.00 35.10 C +ATOM 314 CG LYS A 41 46.593 30.001 -25.359 1.00 40.06 C +ATOM 315 CD LYS A 41 47.883 29.209 -25.649 1.00 43.44 C +ATOM 316 CE LYS A 41 47.712 27.755 -26.110 1.00 45.12 C +ATOM 317 NZ LYS A 41 48.949 27.063 -26.659 1.00 43.29 N +ATOM 318 N TRP A 42 44.453 32.025 -23.465 1.00 24.56 N +ATOM 319 CA TRP A 42 44.040 32.216 -22.073 1.00 23.63 C +ATOM 320 C TRP A 42 43.824 30.910 -21.420 1.00 23.81 C +ATOM 321 O TRP A 42 43.382 30.049 -22.147 1.00 24.56 O +ATOM 322 CB TRP A 42 42.827 33.042 -22.400 1.00 24.87 C +ATOM 323 CG TRP A 42 41.590 32.695 -23.123 1.00 24.05 C +ATOM 324 CD1 TRP A 42 40.970 33.226 -24.247 1.00 23.30 C +ATOM 325 CD2 TRP A 42 40.603 31.783 -22.576 1.00 21.33 C +ATOM 326 NE1 TRP A 42 39.720 32.679 -24.487 1.00 20.62 N +ATOM 327 CE2 TRP A 42 39.495 31.808 -23.434 1.00 20.95 C +ATOM 328 CE3 TRP A 42 40.630 31.030 -21.415 1.00 18.14 C +ATOM 329 CZ2 TRP A 42 38.397 31.031 -23.137 1.00 20.52 C +ATOM 330 CZ3 TRP A 42 39.566 30.214 -21.153 1.00 16.84 C +ATOM 331 CH2 TRP A 42 38.486 30.247 -21.992 1.00 18.84 C +ATOM 332 N LYS A 43 44.148 30.697 -20.195 1.00 24.62 N +ATOM 333 CA LYS A 43 43.943 29.465 -19.443 1.00 25.33 C +ATOM 334 C LYS A 43 42.746 29.935 -18.571 1.00 25.88 C +ATOM 335 O LYS A 43 42.556 31.156 -18.537 1.00 26.01 O +ATOM 336 CB LYS A 43 44.946 29.056 -18.425 1.00 27.16 C +ATOM 337 CG LYS A 43 46.423 29.110 -18.665 1.00 30.18 C +ATOM 338 CD LYS A 43 46.872 28.332 -19.894 1.00 35.20 C +ATOM 339 CE LYS A 43 48.395 28.157 -19.784 1.00 40.56 C +ATOM 340 NZ LYS A 43 48.816 26.866 -20.433 1.00 43.39 N +ATOM 341 N PRO A 44 42.133 28.968 -17.958 1.00 26.42 N +ATOM 342 CA PRO A 44 40.943 29.151 -17.090 1.00 26.51 C +ATOM 343 C PRO A 44 41.304 29.053 -15.630 1.00 25.50 C +ATOM 344 O PRO A 44 41.813 27.960 -15.301 1.00 25.97 O +ATOM 345 CB PRO A 44 40.072 27.926 -17.496 1.00 26.95 C +ATOM 346 CG PRO A 44 41.069 26.842 -17.749 1.00 26.99 C +ATOM 347 CD PRO A 44 42.412 27.524 -18.053 1.00 26.91 C +ATOM 348 N LYS A 45 41.082 30.027 -14.808 1.00 24.54 N +ATOM 349 CA LYS A 45 41.620 29.725 -13.422 1.00 24.93 C +ATOM 350 C LYS A 45 40.456 30.014 -12.517 1.00 25.18 C +ATOM 351 O LYS A 45 39.686 30.892 -12.939 1.00 25.63 O +ATOM 352 CB LYS A 45 42.833 30.520 -13.278 1.00 28.99 C +ATOM 353 CG LYS A 45 43.828 30.659 -12.182 1.00 36.17 C +ATOM 354 CD LYS A 45 45.039 29.773 -12.052 1.00 37.98 C +ATOM 355 CE LYS A 45 46.307 29.997 -12.836 1.00 36.77 C +ATOM 356 NZ LYS A 45 47.341 29.029 -12.330 1.00 38.24 N +ATOM 357 N MET A 46 40.375 29.258 -11.486 1.00 25.27 N +ATOM 358 CA MET A 46 39.356 29.183 -10.439 1.00 26.12 C +ATOM 359 C MET A 46 39.694 30.035 -9.232 1.00 26.64 C +ATOM 360 O MET A 46 40.578 29.711 -8.429 1.00 26.98 O +ATOM 361 CB MET A 46 39.261 27.685 -10.212 1.00 29.72 C +ATOM 362 CG MET A 46 38.236 26.862 -9.581 1.00 32.60 C +ATOM 363 SD MET A 46 36.549 26.889 -10.307 1.00 37.55 S +ATOM 364 CE MET A 46 36.810 26.493 -12.030 1.00 36.34 C +ATOM 365 N ILE A 47 39.084 31.174 -9.008 1.00 27.50 N +ATOM 366 CA ILE A 47 39.273 32.083 -7.880 1.00 28.93 C +ATOM 367 C ILE A 47 38.073 32.017 -6.940 1.00 31.17 C +ATOM 368 O ILE A 47 36.947 31.723 -7.441 1.00 31.95 O +ATOM 369 CB ILE A 47 39.720 33.523 -8.269 1.00 24.44 C +ATOM 370 CG1 ILE A 47 38.689 34.404 -8.951 1.00 23.47 C +ATOM 371 CG2 ILE A 47 41.081 33.360 -9.022 1.00 23.21 C +ATOM 372 CD1 ILE A 47 39.250 35.782 -9.477 1.00 23.39 C +ATOM 373 N GLY A 48 38.310 32.262 -5.644 1.00 32.76 N +ATOM 374 CA GLY A 48 37.313 32.164 -4.585 1.00 34.68 C +ATOM 375 C GLY A 48 36.526 33.353 -4.119 1.00 35.90 C +ATOM 376 O GLY A 48 36.924 34.501 -4.460 1.00 36.47 O +ATOM 377 N GLY A 49 35.393 33.126 -3.401 1.00 36.35 N +ATOM 378 CA GLY A 49 34.678 34.276 -2.897 1.00 37.30 C +ATOM 379 C GLY A 49 33.258 34.350 -2.442 1.00 37.62 C +ATOM 380 O GLY A 49 32.339 34.730 -3.226 1.00 38.34 O +ATOM 381 N ILE A 50 33.020 34.185 -1.133 1.00 36.96 N +ATOM 382 CA ILE A 50 31.710 34.233 -0.522 1.00 35.75 C +ATOM 383 C ILE A 50 30.854 33.387 -1.485 1.00 35.03 C +ATOM 384 O ILE A 50 30.320 33.891 -2.476 1.00 34.76 O +ATOM 385 CB ILE A 50 30.886 35.515 -0.258 1.00 36.09 C +ATOM 386 CG1 ILE A 50 31.523 36.675 0.493 1.00 37.11 C +ATOM 387 CG2 ILE A 50 29.618 35.012 0.624 1.00 32.45 C +ATOM 388 CD1 ILE A 50 33.019 37.051 0.545 1.00 37.51 C +ATOM 389 N GLY A 51 30.879 32.182 -0.987 1.00 34.65 N +ATOM 390 CA GLY A 51 30.196 31.117 -1.888 1.00 34.95 C +ATOM 391 C GLY A 51 31.524 30.423 -2.377 1.00 34.49 C +ATOM 392 O GLY A 51 31.957 29.321 -1.881 1.00 35.64 O +ATOM 393 N GLY A 52 32.209 31.195 -3.283 1.00 32.08 N +ATOM 394 CA GLY A 52 33.489 30.616 -3.574 1.00 28.14 C +ATOM 395 C GLY A 52 34.024 30.579 -4.913 1.00 25.62 C +ATOM 396 O GLY A 52 34.566 31.537 -5.440 1.00 25.68 O +ATOM 397 N PHE A 53 33.780 29.441 -5.476 1.00 23.20 N +ATOM 398 CA PHE A 53 34.508 29.267 -6.757 1.00 21.19 C +ATOM 399 C PHE A 53 33.912 29.821 -7.990 1.00 19.56 C +ATOM 400 O PHE A 53 32.833 29.562 -8.540 1.00 19.46 O +ATOM 401 CB PHE A 53 34.936 27.821 -6.629 1.00 26.30 C +ATOM 402 CG PHE A 53 35.831 27.790 -5.404 1.00 27.85 C +ATOM 403 CD1 PHE A 53 37.218 27.782 -5.638 1.00 28.30 C +ATOM 404 CD2 PHE A 53 35.296 27.819 -4.107 1.00 30.33 C +ATOM 405 CE1 PHE A 53 38.115 27.746 -4.591 1.00 30.61 C +ATOM 406 CE2 PHE A 53 36.189 27.874 -3.021 1.00 33.17 C +ATOM 407 CZ PHE A 53 37.582 27.825 -3.270 1.00 32.73 C +ATOM 408 N ILE A 54 34.778 30.703 -8.468 1.00 16.98 N +ATOM 409 CA ILE A 54 34.502 31.501 -9.676 1.00 15.38 C +ATOM 410 C ILE A 54 35.514 31.094 -10.703 1.00 16.39 C +ATOM 411 O ILE A 54 36.666 30.889 -10.242 1.00 16.69 O +ATOM 412 CB ILE A 54 34.568 32.841 -8.948 1.00 11.69 C +ATOM 413 CG1 ILE A 54 33.167 32.976 -8.298 1.00 14.49 C +ATOM 414 CG2 ILE A 54 34.913 34.136 -9.596 1.00 14.54 C +ATOM 415 CD1 ILE A 54 32.014 32.543 -9.232 1.00 18.29 C +ATOM 416 N LYS A 55 35.155 30.922 -11.974 1.00 16.21 N +ATOM 417 CA LYS A 55 36.114 30.532 -13.020 1.00 15.79 C +ATOM 418 C LYS A 55 36.556 31.777 -13.745 1.00 14.62 C +ATOM 419 O LYS A 55 35.758 32.308 -14.524 1.00 15.04 O +ATOM 420 CB LYS A 55 35.490 29.500 -13.955 1.00 18.94 C +ATOM 421 CG LYS A 55 36.425 28.883 -15.019 1.00 24.29 C +ATOM 422 CD LYS A 55 35.796 27.641 -15.689 1.00 30.04 C +ATOM 423 CE LYS A 55 36.715 26.485 -16.097 1.00 29.43 C +ATOM 424 NZ LYS A 55 36.451 26.204 -17.549 1.00 29.87 N +ATOM 425 N VAL A 56 37.675 32.395 -13.555 1.00 13.26 N +ATOM 426 CA VAL A 56 37.870 33.610 -14.440 1.00 13.14 C +ATOM 427 C VAL A 56 38.721 32.989 -15.513 1.00 13.73 C +ATOM 428 O VAL A 56 38.844 31.755 -15.436 1.00 15.06 O +ATOM 429 CB VAL A 56 38.588 34.561 -13.508 1.00 15.65 C +ATOM 430 CG1 VAL A 56 37.679 34.815 -12.316 1.00 18.81 C +ATOM 431 CG2 VAL A 56 39.854 33.883 -13.002 1.00 11.84 C +ATOM 432 N ARG A 57 39.379 33.737 -16.329 1.00 13.56 N +ATOM 433 CA ARG A 57 40.306 33.241 -17.337 1.00 12.83 C +ATOM 434 C ARG A 57 41.515 34.183 -17.337 1.00 13.69 C +ATOM 435 O ARG A 57 41.494 35.405 -17.453 1.00 13.74 O +ATOM 436 CB ARG A 57 39.603 33.290 -18.644 1.00 11.23 C +ATOM 437 CG ARG A 57 39.320 34.568 -19.388 1.00 4.05 C +ATOM 438 CD ARG A 57 38.260 34.182 -20.378 1.00 3.20 C +ATOM 439 NE ARG A 57 38.115 35.234 -21.384 1.00 5.53 N +ATOM 440 CZ ARG A 57 37.230 36.205 -21.234 1.00 2.02 C +ATOM 441 NH1 ARG A 57 37.040 37.053 -22.201 1.00 3.60 N +ATOM 442 NH2 ARG A 57 36.473 36.155 -20.147 1.00 3.21 N +ATOM 443 N GLN A 58 42.655 33.575 -17.287 1.00 14.36 N +ATOM 444 CA GLN A 58 43.976 34.141 -17.177 1.00 15.13 C +ATOM 445 C GLN A 58 44.657 34.730 -18.339 1.00 15.73 C +ATOM 446 O GLN A 58 45.329 33.926 -19.051 1.00 16.68 O +ATOM 447 CB GLN A 58 44.882 32.933 -16.677 1.00 12.15 C +ATOM 448 CG GLN A 58 46.193 33.592 -16.298 1.00 18.25 C +ATOM 449 CD GLN A 58 46.915 32.688 -15.337 1.00 20.42 C +ATOM 450 OE1 GLN A 58 47.131 32.826 -14.142 1.00 23.24 O +ATOM 451 NE2 GLN A 58 47.339 31.639 -15.995 1.00 22.97 N +ATOM 452 N TYR A 59 44.723 35.995 -18.642 1.00 16.67 N +ATOM 453 CA TYR A 59 45.549 36.362 -19.880 1.00 18.46 C +ATOM 454 C TYR A 59 46.971 36.604 -19.408 1.00 19.86 C +ATOM 455 O TYR A 59 47.105 37.100 -18.293 1.00 20.95 O +ATOM 456 CB TYR A 59 45.034 37.524 -20.699 1.00 16.02 C +ATOM 457 CG TYR A 59 43.668 37.279 -21.303 1.00 13.85 C +ATOM 458 CD1 TYR A 59 42.567 36.944 -20.522 1.00 14.22 C +ATOM 459 CD2 TYR A 59 43.553 37.310 -22.682 1.00 17.74 C +ATOM 460 CE1 TYR A 59 41.354 36.678 -21.117 1.00 15.15 C +ATOM 461 CE2 TYR A 59 42.339 37.072 -23.314 1.00 18.68 C +ATOM 462 CZ TYR A 59 41.263 36.766 -22.499 1.00 16.50 C +ATOM 463 OH TYR A 59 40.099 36.513 -23.143 1.00 24.06 O +ATOM 464 N ASP A 60 47.987 36.335 -20.186 1.00 21.26 N +ATOM 465 CA ASP A 60 49.389 36.399 -19.829 1.00 21.82 C +ATOM 466 C ASP A 60 50.405 37.427 -20.159 1.00 22.02 C +ATOM 467 O ASP A 60 51.486 37.233 -19.479 1.00 22.83 O +ATOM 468 CB ASP A 60 49.923 34.966 -20.079 1.00 23.23 C +ATOM 469 CG ASP A 60 49.919 34.172 -18.783 1.00 24.11 C +ATOM 470 OD1 ASP A 60 50.092 34.837 -17.745 1.00 23.71 O +ATOM 471 OD2 ASP A 60 49.782 32.928 -18.907 1.00 26.54 O +ATOM 472 N GLN A 61 50.435 38.451 -20.953 1.00 21.67 N +ATOM 473 CA GLN A 61 51.679 39.314 -20.870 1.00 21.42 C +ATOM 474 C GLN A 61 51.113 40.713 -21.175 1.00 21.22 C +ATOM 475 O GLN A 61 51.796 41.580 -21.721 1.00 22.49 O +ATOM 476 CB GLN A 61 52.929 39.012 -21.623 1.00 21.80 C +ATOM 477 CG GLN A 61 54.084 38.322 -20.961 1.00 27.67 C +ATOM 478 CD GLN A 61 55.136 37.836 -21.948 1.00 33.05 C +ATOM 479 OE1 GLN A 61 54.650 37.248 -22.959 1.00 32.35 O +ATOM 480 NE2 GLN A 61 56.458 37.986 -21.692 1.00 33.34 N +ATOM 481 N ILE A 62 49.831 40.789 -20.968 1.00 20.11 N +ATOM 482 CA ILE A 62 48.957 41.938 -21.019 1.00 18.49 C +ATOM 483 C ILE A 62 49.588 43.135 -20.292 1.00 18.73 C +ATOM 484 O ILE A 62 50.092 43.115 -19.126 1.00 19.03 O +ATOM 485 CB ILE A 62 47.739 41.501 -20.121 1.00 12.99 C +ATOM 486 CG1 ILE A 62 47.179 40.189 -20.747 1.00 13.32 C +ATOM 487 CG2 ILE A 62 46.896 42.726 -19.897 1.00 11.14 C +ATOM 488 CD1 ILE A 62 46.030 40.387 -21.813 1.00 12.97 C +ATOM 489 N PRO A 63 49.552 44.184 -21.088 1.00 17.99 N +ATOM 490 CA PRO A 63 50.179 45.443 -20.681 1.00 17.50 C +ATOM 491 C PRO A 63 49.169 46.174 -19.859 1.00 17.69 C +ATOM 492 O PRO A 63 47.985 46.003 -20.197 1.00 18.49 O +ATOM 493 CB PRO A 63 50.319 46.195 -22.001 1.00 16.82 C +ATOM 494 CG PRO A 63 49.017 45.808 -22.644 1.00 17.22 C +ATOM 495 CD PRO A 63 49.014 44.296 -22.427 1.00 17.45 C +ATOM 496 N VAL A 64 49.695 46.890 -18.899 1.00 17.31 N +ATOM 497 CA VAL A 64 48.587 47.621 -18.246 1.00 17.43 C +ATOM 498 C VAL A 64 49.038 49.043 -18.071 1.00 17.33 C +ATOM 499 O VAL A 64 50.240 48.984 -17.761 1.00 17.18 O +ATOM 500 CB VAL A 64 48.314 46.760 -17.045 1.00 21.35 C +ATOM 501 CG1 VAL A 64 47.333 47.611 -16.177 1.00 24.44 C +ATOM 502 CG2 VAL A 64 47.790 45.367 -17.370 1.00 22.68 C +ATOM 503 N GLU A 65 48.250 50.069 -18.277 1.00 17.29 N +ATOM 504 CA GLU A 65 48.852 51.409 -17.995 1.00 18.15 C +ATOM 505 C GLU A 65 48.195 51.883 -16.707 1.00 17.74 C +ATOM 506 O GLU A 65 46.985 52.230 -16.799 1.00 18.95 O +ATOM 507 CB GLU A 65 48.715 52.423 -19.086 1.00 27.75 C +ATOM 508 CG GLU A 65 49.354 53.792 -19.346 1.00 35.25 C +ATOM 509 CD GLU A 65 49.517 54.218 -20.799 1.00 41.42 C +ATOM 510 OE1 GLU A 65 50.186 53.548 -21.619 1.00 44.14 O +ATOM 511 OE2 GLU A 65 48.972 55.277 -21.287 1.00 43.11 O +ATOM 512 N ILE A 66 48.891 51.915 -15.589 1.00 16.22 N +ATOM 513 CA ILE A 66 48.490 52.286 -14.269 1.00 13.53 C +ATOM 514 C ILE A 66 49.044 53.680 -13.871 1.00 13.62 C +ATOM 515 O ILE A 66 50.217 53.835 -13.547 1.00 12.53 O +ATOM 516 CB ILE A 66 48.884 51.444 -12.995 1.00 4.94 C +ATOM 517 CG1 ILE A 66 48.514 50.061 -13.231 1.00 3.47 C +ATOM 518 CG2 ILE A 66 47.996 52.097 -11.901 1.00 7.73 C +ATOM 519 CD1 ILE A 66 48.687 48.861 -12.356 1.00 6.43 C +ATOM 520 N GLY A 68 49.669 56.240 -15.230 1.00 15.20 N +ATOM 521 CA GLY A 68 50.674 56.620 -16.139 1.00 15.98 C +ATOM 522 C GLY A 68 51.902 55.804 -16.356 1.00 17.51 C +ATOM 523 O GLY A 68 52.867 56.043 -17.175 1.00 18.23 O +ATOM 524 N HIS A 69 51.933 54.725 -15.553 1.00 18.05 N +ATOM 525 CA HIS A 69 53.165 53.854 -15.741 1.00 17.65 C +ATOM 526 C HIS A 69 52.595 52.684 -16.509 1.00 16.59 C +ATOM 527 O HIS A 69 51.354 52.507 -16.482 1.00 16.50 O +ATOM 528 CB HIS A 69 53.847 53.588 -14.439 1.00 24.27 C +ATOM 529 CG HIS A 69 53.960 54.799 -13.524 1.00 28.17 C +ATOM 530 ND1 HIS A 69 53.051 55.830 -13.432 1.00 29.24 N +ATOM 531 CD2 HIS A 69 54.930 55.067 -12.595 1.00 28.16 C +ATOM 532 CE1 HIS A 69 53.489 56.715 -12.547 1.00 29.48 C +ATOM 533 NE2 HIS A 69 54.602 56.256 -12.013 1.00 27.28 N +ATOM 534 N LYS A 70 53.465 52.083 -17.267 1.00 15.24 N +ATOM 535 CA LYS A 70 53.145 50.909 -18.122 1.00 12.96 C +ATOM 536 C LYS A 70 53.673 49.723 -17.314 1.00 10.66 C +ATOM 537 O LYS A 70 54.511 50.012 -16.490 1.00 10.79 O +ATOM 538 CB LYS A 70 53.900 50.873 -19.442 1.00 17.96 C +ATOM 539 CG LYS A 70 53.603 52.043 -20.406 1.00 24.16 C +ATOM 540 CD LYS A 70 54.497 52.424 -21.595 1.00 27.01 C +ATOM 541 CE LYS A 70 54.447 53.899 -22.057 1.00 29.17 C +ATOM 542 NZ LYS A 70 53.555 54.175 -23.274 1.00 31.36 N +ATOM 543 N ALA A 71 53.157 48.611 -17.620 1.00 9.56 N +ATOM 544 CA ALA A 71 53.571 47.386 -16.913 1.00 11.08 C +ATOM 545 C ALA A 71 53.169 46.112 -17.653 1.00 11.54 C +ATOM 546 O ALA A 71 52.204 46.128 -18.517 1.00 13.03 O +ATOM 547 CB ALA A 71 52.967 47.594 -15.514 1.00 13.57 C +ATOM 548 N ILE A 72 53.837 44.976 -17.364 1.00 10.11 N +ATOM 549 CA ILE A 72 53.368 43.774 -18.169 1.00 7.79 C +ATOM 550 C ILE A 72 53.080 42.744 -17.154 1.00 6.91 C +ATOM 551 O ILE A 72 53.905 42.444 -16.300 1.00 6.02 O +ATOM 552 CB ILE A 72 54.240 43.692 -19.396 1.00 5.67 C +ATOM 553 CG1 ILE A 72 53.534 44.752 -20.337 1.00 4.70 C +ATOM 554 CG2 ILE A 72 54.433 42.405 -20.208 1.00 9.24 C +ATOM 555 CD1 ILE A 72 54.535 45.756 -20.931 1.00 12.67 C +ATOM 556 N GLY A 73 51.798 42.380 -17.235 1.00 6.04 N +ATOM 557 CA GLY A 73 51.398 41.430 -16.168 1.00 5.16 C +ATOM 558 C GLY A 73 50.303 40.482 -16.605 1.00 4.68 C +ATOM 559 O GLY A 73 49.775 40.778 -17.653 1.00 4.28 O +ATOM 560 N THR A 74 50.137 39.429 -15.881 1.00 5.14 N +ATOM 561 CA THR A 74 49.165 38.401 -16.031 1.00 5.98 C +ATOM 562 C THR A 74 47.943 38.963 -15.308 1.00 7.23 C +ATOM 563 O THR A 74 47.894 39.081 -14.085 1.00 8.30 O +ATOM 564 CB THR A 74 49.552 37.078 -15.218 1.00 6.07 C +ATOM 565 OG1 THR A 74 50.581 36.578 -16.078 1.00 5.39 O +ATOM 566 CG2 THR A 74 48.351 36.171 -14.980 1.00 5.13 C +ATOM 567 N VAL A 75 46.942 39.274 -16.015 1.00 8.37 N +ATOM 568 CA VAL A 75 45.670 39.745 -15.568 1.00 9.39 C +ATOM 569 C VAL A 75 44.687 38.586 -15.591 1.00 10.96 C +ATOM 570 O VAL A 75 44.711 37.852 -16.596 1.00 10.89 O +ATOM 571 CB VAL A 75 45.416 40.731 -16.733 1.00 6.36 C +ATOM 572 CG1 VAL A 75 43.945 40.995 -16.717 1.00 14.12 C +ATOM 573 CG2 VAL A 75 46.259 41.958 -16.458 1.00 12.30 C +ATOM 574 N LEU A 76 43.897 38.365 -14.593 1.00 11.90 N +ATOM 575 CA LEU A 76 42.821 37.371 -14.568 1.00 13.98 C +ATOM 576 C LEU A 76 41.498 38.132 -14.882 1.00 15.54 C +ATOM 577 O LEU A 76 41.100 38.957 -14.003 1.00 16.60 O +ATOM 578 CB LEU A 76 42.709 36.701 -13.217 1.00 13.93 C +ATOM 579 CG LEU A 76 43.790 35.882 -12.610 1.00 15.88 C +ATOM 580 CD1 LEU A 76 43.381 34.936 -11.494 1.00 11.44 C +ATOM 581 CD2 LEU A 76 44.331 34.953 -13.717 1.00 17.01 C +ATOM 582 N VAL A 77 40.824 37.830 -15.997 1.00 15.40 N +ATOM 583 CA VAL A 77 39.530 38.430 -16.395 1.00 14.07 C +ATOM 584 C VAL A 77 38.345 37.503 -16.030 1.00 14.01 C +ATOM 585 O VAL A 77 38.349 36.301 -16.243 1.00 14.57 O +ATOM 586 CB VAL A 77 39.414 38.879 -17.836 1.00 9.13 C +ATOM 587 CG1 VAL A 77 38.071 39.640 -17.891 1.00 13.47 C +ATOM 588 CG2 VAL A 77 40.411 39.711 -18.590 1.00 4.91 C +ATOM 589 N GLY A 78 37.308 38.050 -15.451 1.00 14.15 N +ATOM 590 CA GLY A 78 36.194 37.208 -15.006 1.00 14.94 C +ATOM 591 C GLY A 78 35.182 37.935 -14.142 1.00 15.58 C +ATOM 592 O GLY A 78 35.258 39.131 -13.960 1.00 15.65 O +ATOM 593 N PRO A 79 34.208 37.234 -13.645 1.00 16.74 N +ATOM 594 CA PRO A 79 33.135 37.794 -12.849 1.00 17.71 C +ATOM 595 C PRO A 79 33.558 38.428 -11.556 1.00 18.32 C +ATOM 596 O PRO A 79 33.061 38.194 -10.381 1.00 19.65 O +ATOM 597 CB PRO A 79 32.152 36.620 -12.660 1.00 18.33 C +ATOM 598 CG PRO A 79 32.472 35.745 -13.895 1.00 19.04 C +ATOM 599 CD PRO A 79 34.008 35.779 -13.904 1.00 18.14 C +ATOM 600 N THR A 80 34.473 39.394 -11.625 1.00 17.26 N +ATOM 601 CA THR A 80 34.826 40.069 -10.385 1.00 15.47 C +ATOM 602 C THR A 80 34.016 41.349 -10.191 1.00 14.95 C +ATOM 603 O THR A 80 33.993 42.146 -11.127 1.00 14.42 O +ATOM 604 CB THR A 80 36.348 40.478 -10.325 1.00 14.12 C +ATOM 605 OG1 THR A 80 36.507 41.153 -9.037 1.00 12.53 O +ATOM 606 CG2 THR A 80 36.817 41.355 -11.496 1.00 12.38 C +ATOM 607 N PRO A 81 33.452 41.458 -8.990 1.00 14.77 N +ATOM 608 CA PRO A 81 32.738 42.603 -8.443 1.00 14.93 C +ATOM 609 C PRO A 81 33.493 43.960 -8.538 1.00 16.00 C +ATOM 610 O PRO A 81 33.075 45.167 -8.768 1.00 16.33 O +ATOM 611 CB PRO A 81 32.826 42.330 -6.931 1.00 14.06 C +ATOM 612 CG PRO A 81 32.931 40.852 -6.796 1.00 14.56 C +ATOM 613 CD PRO A 81 33.563 40.323 -8.038 1.00 14.88 C +ATOM 614 N VAL A 82 34.821 43.783 -8.208 1.00 15.57 N +ATOM 615 CA VAL A 82 35.692 44.974 -8.227 1.00 14.10 C +ATOM 616 C VAL A 82 37.039 44.558 -8.797 1.00 12.83 C +ATOM 617 O VAL A 82 37.388 43.414 -8.709 1.00 12.52 O +ATOM 618 CB VAL A 82 35.855 45.735 -6.928 1.00 13.06 C +ATOM 619 CG1 VAL A 82 36.269 44.812 -5.826 1.00 9.02 C +ATOM 620 CG2 VAL A 82 36.808 46.874 -7.213 1.00 11.78 C +ATOM 621 N ASN A 83 37.525 45.590 -9.421 1.00 12.53 N +ATOM 622 CA ASN A 83 38.777 45.554 -10.209 1.00 11.42 C +ATOM 623 C ASN A 83 39.847 45.527 -9.148 1.00 8.39 C +ATOM 624 O ASN A 83 39.450 46.056 -8.109 1.00 8.23 O +ATOM 625 CB ASN A 83 38.757 46.671 -11.199 1.00 20.89 C +ATOM 626 CG ASN A 83 38.237 46.437 -12.593 1.00 22.46 C +ATOM 627 OD1 ASN A 83 38.523 45.444 -13.260 1.00 25.52 O +ATOM 628 ND2 ASN A 83 37.520 47.476 -13.026 1.00 24.16 N +ATOM 629 N ILE A 84 40.931 44.896 -9.433 1.00 5.53 N +ATOM 630 CA ILE A 84 41.836 44.889 -8.299 1.00 4.89 C +ATOM 631 C ILE A 84 43.213 44.851 -8.917 1.00 5.03 C +ATOM 632 O ILE A 84 43.071 44.027 -9.799 1.00 4.77 O +ATOM 633 CB ILE A 84 41.686 43.576 -7.523 1.00 4.52 C +ATOM 634 CG1 ILE A 84 40.648 43.682 -6.377 1.00 4.84 C +ATOM 635 CG2 ILE A 84 43.110 43.131 -7.000 1.00 10.83 C +ATOM 636 CD1 ILE A 84 40.233 42.274 -5.866 1.00 2.00 C +ATOM 637 N ILE A 85 44.157 45.578 -8.352 1.00 5.01 N +ATOM 638 CA ILE A 85 45.395 45.346 -9.076 1.00 6.43 C +ATOM 639 C ILE A 85 46.339 44.798 -8.046 1.00 7.16 C +ATOM 640 O ILE A 85 46.961 45.491 -7.296 1.00 8.71 O +ATOM 641 CB ILE A 85 45.903 46.412 -10.051 1.00 6.56 C +ATOM 642 CG1 ILE A 85 46.763 47.408 -9.216 1.00 8.03 C +ATOM 643 CG2 ILE A 85 44.995 47.117 -11.027 1.00 4.06 C +ATOM 644 CD1 ILE A 85 48.216 46.863 -9.343 1.00 7.51 C +ATOM 645 N GLY A 86 46.473 43.477 -8.086 1.00 7.84 N +ATOM 646 CA GLY A 86 47.365 42.798 -7.124 1.00 7.30 C +ATOM 647 C GLY A 86 48.760 43.367 -7.047 1.00 6.64 C +ATOM 648 O GLY A 86 49.101 44.352 -7.663 1.00 5.81 O +ATOM 649 N ARG A 87 49.518 42.653 -6.226 1.00 6.76 N +ATOM 650 CA ARG A 87 50.924 42.855 -5.891 1.00 5.48 C +ATOM 651 C ARG A 87 51.660 42.599 -7.212 1.00 5.76 C +ATOM 652 O ARG A 87 52.500 43.377 -7.640 1.00 6.69 O +ATOM 653 CB ARG A 87 51.541 42.019 -4.828 1.00 2.00 C +ATOM 654 CG ARG A 87 51.179 42.313 -3.443 1.00 2.00 C +ATOM 655 CD ARG A 87 51.954 41.647 -2.391 1.00 4.07 C +ATOM 656 NE ARG A 87 51.609 40.257 -2.353 1.00 12.61 N +ATOM 657 CZ ARG A 87 52.379 39.337 -3.036 1.00 17.55 C +ATOM 658 NH1 ARG A 87 51.947 38.060 -3.157 1.00 13.11 N +ATOM 659 NH2 ARG A 87 53.628 39.663 -3.489 1.00 19.48 N +ATOM 660 N ASN A 88 51.141 41.623 -7.903 1.00 5.72 N +ATOM 661 CA ASN A 88 51.734 41.282 -9.194 1.00 7.39 C +ATOM 662 C ASN A 88 51.951 42.484 -10.113 1.00 7.65 C +ATOM 663 O ASN A 88 53.066 42.439 -10.773 1.00 8.89 O +ATOM 664 CB ASN A 88 51.017 40.095 -9.837 1.00 13.17 C +ATOM 665 CG ASN A 88 49.814 40.564 -10.587 1.00 13.63 C +ATOM 666 OD1 ASN A 88 48.636 40.602 -10.186 1.00 22.00 O +ATOM 667 ND2 ASN A 88 50.147 41.087 -11.747 1.00 14.32 N +ATOM 668 N LEU A 89 50.989 43.399 -10.294 1.00 6.46 N +ATOM 669 CA LEU A 89 51.263 44.573 -11.160 1.00 3.99 C +ATOM 670 C LEU A 89 51.741 45.626 -10.155 1.00 3.43 C +ATOM 671 O LEU A 89 52.453 46.455 -10.695 1.00 3.56 O +ATOM 672 CB LEU A 89 50.192 44.987 -12.094 1.00 2.20 C +ATOM 673 CG LEU A 89 49.938 44.005 -13.254 1.00 3.72 C +ATOM 674 CD1 LEU A 89 48.580 44.192 -13.939 1.00 2.88 C +ATOM 675 CD2 LEU A 89 50.796 44.478 -14.423 1.00 8.16 C +ATOM 676 N LEU A 90 51.513 45.529 -8.858 1.00 2.68 N +ATOM 677 CA LEU A 90 51.964 46.568 -7.923 1.00 2.92 C +ATOM 678 C LEU A 90 53.435 46.686 -8.150 1.00 4.21 C +ATOM 679 O LEU A 90 53.802 47.685 -8.808 1.00 6.42 O +ATOM 680 CB LEU A 90 51.435 46.385 -6.558 1.00 2.00 C +ATOM 681 CG LEU A 90 49.964 46.738 -6.365 1.00 2.00 C +ATOM 682 CD1 LEU A 90 49.694 46.995 -4.884 1.00 2.00 C +ATOM 683 CD2 LEU A 90 49.575 48.034 -7.048 1.00 2.00 C +ATOM 684 N THR A 91 54.181 45.724 -7.876 1.00 4.80 N +ATOM 685 CA THR A 91 55.577 45.426 -8.006 1.00 6.44 C +ATOM 686 C THR A 91 56.286 46.135 -9.135 1.00 9.24 C +ATOM 687 O THR A 91 57.472 46.547 -9.094 1.00 9.31 O +ATOM 688 CB THR A 91 55.616 43.902 -8.445 1.00 4.82 C +ATOM 689 OG1 THR A 91 55.259 43.029 -7.358 1.00 10.89 O +ATOM 690 CG2 THR A 91 56.890 43.407 -9.064 1.00 6.42 C +ATOM 691 N GLN A 92 55.504 46.033 -10.238 1.00 12.62 N +ATOM 692 CA GLN A 92 55.981 46.580 -11.552 1.00 14.96 C +ATOM 693 C GLN A 92 55.822 48.074 -11.535 1.00 16.48 C +ATOM 694 O GLN A 92 57.034 48.539 -11.394 1.00 18.57 O +ATOM 695 CB GLN A 92 55.634 45.834 -12.804 1.00 12.62 C +ATOM 696 CG GLN A 92 55.983 44.350 -12.419 1.00 11.79 C +ATOM 697 CD GLN A 92 57.170 43.868 -13.193 1.00 13.31 C +ATOM 698 OE1 GLN A 92 57.276 44.509 -14.273 1.00 16.04 O +ATOM 699 NE2 GLN A 92 57.830 42.841 -12.669 1.00 7.04 N +ATOM 700 N ILE A 93 54.711 48.767 -11.461 1.00 15.72 N +ATOM 701 CA ILE A 93 54.799 50.275 -11.402 1.00 13.65 C +ATOM 702 C ILE A 93 55.694 50.744 -10.238 1.00 13.24 C +ATOM 703 O ILE A 93 55.991 51.959 -10.015 1.00 14.19 O +ATOM 704 CB ILE A 93 53.361 50.795 -11.447 1.00 10.25 C +ATOM 705 CG1 ILE A 93 52.620 50.273 -10.148 1.00 5.55 C +ATOM 706 CG2 ILE A 93 52.403 50.471 -12.624 1.00 10.44 C +ATOM 707 CD1 ILE A 93 51.748 51.563 -9.815 1.00 7.34 C +ATOM 708 N GLY A 94 56.281 49.849 -9.436 1.00 11.30 N +ATOM 709 CA GLY A 94 57.207 50.029 -8.357 1.00 9.01 C +ATOM 710 C GLY A 94 56.666 50.691 -7.122 1.00 8.62 C +ATOM 711 O GLY A 94 57.241 51.621 -6.498 1.00 9.52 O +ATOM 712 N THR A 96 55.381 50.799 -3.318 1.00 5.86 N +ATOM 713 CA THR A 96 55.874 50.684 -1.987 1.00 5.93 C +ATOM 714 C THR A 96 54.853 51.273 -1.011 1.00 5.71 C +ATOM 715 O THR A 96 54.092 52.188 -1.417 1.00 5.22 O +ATOM 716 CB THR A 96 57.185 51.535 -1.736 1.00 11.38 C +ATOM 717 OG1 THR A 96 57.145 52.669 -2.680 1.00 15.66 O +ATOM 718 CG2 THR A 96 58.468 50.771 -1.941 1.00 14.96 C +ATOM 719 N LEU A 97 54.904 50.708 0.160 1.00 5.92 N +ATOM 720 CA LEU A 97 54.041 51.058 1.287 1.00 6.39 C +ATOM 721 C LEU A 97 55.104 51.696 2.230 1.00 6.75 C +ATOM 722 O LEU A 97 56.150 51.112 2.441 1.00 5.52 O +ATOM 723 CB LEU A 97 53.424 49.924 2.102 1.00 5.27 C +ATOM 724 CG LEU A 97 52.340 49.041 1.556 1.00 3.96 C +ATOM 725 CD1 LEU A 97 52.173 47.728 2.309 1.00 3.18 C +ATOM 726 CD2 LEU A 97 50.978 49.739 1.691 1.00 3.39 C +ATOM 727 N ASN A 98 54.583 52.786 2.703 1.00 7.96 N +ATOM 728 CA ASN A 98 55.300 53.640 3.611 1.00 8.99 C +ATOM 729 C ASN A 98 54.773 54.308 4.808 1.00 9.19 C +ATOM 730 O ASN A 98 53.692 54.890 4.863 1.00 9.82 O +ATOM 731 CB ASN A 98 55.517 54.897 2.685 1.00 16.18 C +ATOM 732 CG ASN A 98 56.619 54.304 1.774 1.00 22.43 C +ATOM 733 OD1 ASN A 98 56.630 54.608 0.548 1.00 21.15 O +ATOM 734 ND2 ASN A 98 57.380 53.503 2.577 1.00 24.20 N +ATOM 735 N PHE A 99 55.703 54.455 5.709 1.00 9.64 N +ATOM 736 CA PHE A 99 55.195 55.188 6.904 1.00 12.33 C +ATOM 737 C PHE A 99 56.302 55.133 7.965 1.00 14.20 C +ATOM 738 O PHE A 99 57.027 54.181 7.514 1.00 19.58 O +ATOM 739 CB PHE A 99 53.978 54.451 7.451 1.00 10.69 C +ATOM 740 CG PHE A 99 54.394 53.064 7.892 1.00 3.89 C +ATOM 741 CD1 PHE A 99 54.452 52.064 6.957 1.00 4.72 C +ATOM 742 CD2 PHE A 99 54.758 52.847 9.169 1.00 2.45 C +ATOM 743 CE1 PHE A 99 54.842 50.817 7.392 1.00 6.29 C +ATOM 744 CE2 PHE A 99 55.150 51.601 9.597 1.00 3.18 C +ATOM 745 CZ PHE A 99 55.199 50.578 8.723 1.00 3.13 C +ATOM 746 OXT PHE A 99 56.127 55.920 8.919 1.00 14.91 O +TER 747 PHE A 99 +END diff --git a/bench/main_benchmark/structures/SFB_OL_IL5_1HULA_1HULB/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_IL5_1HULA_1HULB/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..9cd335cd1f1613129ab7c6e780c5830d8fb5beb4 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_IL5_1HULA_1HULB/state_a.pdb @@ -0,0 +1,873 @@ +ATOM 1 N ILE A 5 46.342 20.460 59.625 1.00 18.44 N +ATOM 2 CA ILE A 5 45.591 21.498 60.315 1.00 20.99 C +ATOM 3 C ILE A 5 44.251 21.648 59.538 1.00 24.87 C +ATOM 4 O ILE A 5 44.189 21.065 58.432 1.00 27.48 O +ATOM 5 CB ILE A 5 46.364 22.855 60.334 1.00 18.55 C +ATOM 6 CG1 ILE A 5 46.610 23.409 58.968 1.00 16.00 C +ATOM 7 CG2 ILE A 5 47.680 22.636 61.034 1.00 19.04 C +ATOM 8 CD1 ILE A 5 46.570 24.945 59.076 1.00 13.40 C +ATOM 9 N PRO A 6 43.141 22.292 59.982 1.00 25.24 N +ATOM 10 CA PRO A 6 41.828 22.220 59.283 1.00 20.69 C +ATOM 11 C PRO A 6 41.563 23.112 58.076 1.00 17.18 C +ATOM 12 O PRO A 6 42.092 24.229 57.997 1.00 17.26 O +ATOM 13 CB PRO A 6 40.849 22.464 60.410 1.00 20.65 C +ATOM 14 CG PRO A 6 41.595 23.445 61.293 1.00 23.18 C +ATOM 15 CD PRO A 6 42.971 22.823 61.353 1.00 21.67 C +ATOM 16 N THR A 7 40.667 22.706 57.170 1.00 14.40 N +ATOM 17 CA THR A 7 40.307 23.454 55.972 1.00 11.37 C +ATOM 18 C THR A 7 40.026 24.920 56.217 1.00 11.58 C +ATOM 19 O THR A 7 40.410 25.782 55.424 1.00 14.93 O +ATOM 20 CB THR A 7 39.086 22.737 55.322 1.00 13.47 C +ATOM 21 OG1 THR A 7 39.403 21.349 55.094 1.00 13.47 O +ATOM 22 CG2 THR A 7 38.696 23.393 54.014 1.00 17.96 C +ATOM 23 N SER A 8 39.418 25.344 57.299 1.00 10.82 N +ATOM 24 CA SER A 8 39.223 26.791 57.520 1.00 12.17 C +ATOM 25 C SER A 8 40.500 27.489 57.904 1.00 13.33 C +ATOM 26 O SER A 8 40.696 28.691 57.718 1.00 16.26 O +ATOM 27 CB SER A 8 38.237 27.008 58.612 1.00 9.97 C +ATOM 28 OG SER A 8 38.298 25.809 59.397 1.00 16.50 O +ATOM 29 N ALA A 9 41.412 26.741 58.512 1.00 14.41 N +ATOM 30 CA ALA A 9 42.713 27.322 58.884 1.00 13.72 C +ATOM 31 C ALA A 9 43.491 27.421 57.575 1.00 8.95 C +ATOM 32 O ALA A 9 43.959 28.493 57.240 1.00 8.00 O +ATOM 33 CB ALA A 9 43.439 26.400 59.902 1.00 13.02 C +ATOM 34 N LEU A 10 43.545 26.373 56.784 1.00 6.45 N +ATOM 35 CA LEU A 10 44.152 26.442 55.478 1.00 11.76 C +ATOM 36 C LEU A 10 43.634 27.603 54.639 1.00 14.15 C +ATOM 37 O LEU A 10 44.433 28.188 53.887 1.00 20.35 O +ATOM 38 CB LEU A 10 43.875 25.196 54.694 1.00 10.79 C +ATOM 39 CG LEU A 10 44.858 24.088 54.451 1.00 15.44 C +ATOM 40 CD1 LEU A 10 45.848 23.984 55.557 1.00 14.79 C +ATOM 41 CD2 LEU A 10 44.095 22.788 54.376 1.00 10.27 C +ATOM 42 N VAL A 11 42.349 27.998 54.707 1.00 11.79 N +ATOM 43 CA VAL A 11 41.863 29.066 53.854 1.00 9.28 C +ATOM 44 C VAL A 11 42.438 30.332 54.389 1.00 8.72 C +ATOM 45 O VAL A 11 42.740 31.252 53.646 1.00 13.00 O +ATOM 46 CB VAL A 11 40.278 29.100 53.831 1.00 7.50 C +ATOM 47 CG1 VAL A 11 39.770 30.319 53.077 1.00 10.95 C +ATOM 48 CG2 VAL A 11 39.735 27.887 53.067 1.00 3.98 C +ATOM 49 N LYS A 12 42.704 30.412 55.672 1.00 11.08 N +ATOM 50 CA LYS A 12 43.241 31.650 56.183 1.00 10.65 C +ATOM 51 C LYS A 12 44.683 31.756 55.822 1.00 9.73 C +ATOM 52 O LYS A 12 45.142 32.854 55.554 1.00 9.00 O +ATOM 53 CB LYS A 12 43.068 31.682 57.647 1.00 12.22 C +ATOM 54 CG LYS A 12 41.596 31.812 58.003 1.00 12.62 C +ATOM 55 CD LYS A 12 41.423 32.310 59.406 1.00 14.29 C +ATOM 56 CE LYS A 12 39.967 32.080 59.761 1.00 20.33 C +ATOM 57 NZ LYS A 12 39.735 30.650 59.824 1.00 20.71 N +ATOM 58 N GLU A 13 45.374 30.620 55.655 1.00 12.31 N +ATOM 59 CA GLU A 13 46.824 30.552 55.369 1.00 11.82 C +ATOM 60 C GLU A 13 47.146 30.976 53.950 1.00 11.25 C +ATOM 61 O GLU A 13 47.898 31.958 53.786 1.00 8.60 O +ATOM 62 CB GLU A 13 47.343 29.119 55.628 1.00 12.29 C +ATOM 63 CG GLU A 13 48.845 29.061 55.419 1.00 13.60 C +ATOM 64 CD GLU A 13 49.495 27.781 55.872 1.00 14.07 C +ATOM 65 OE1 GLU A 13 49.211 26.735 55.294 1.00 18.96 O +ATOM 66 OE2 GLU A 13 50.268 27.814 56.809 1.00 11.31 O +ATOM 67 N THR A 14 46.507 30.252 53.000 1.00 10.16 N +ATOM 68 CA THR A 14 46.536 30.530 51.578 1.00 8.17 C +ATOM 69 C THR A 14 46.289 31.991 51.239 1.00 10.54 C +ATOM 70 O THR A 14 47.043 32.524 50.437 1.00 11.27 O +ATOM 71 CB THR A 14 45.491 29.658 50.926 1.00 7.90 C +ATOM 72 OG1 THR A 14 45.742 28.270 51.188 1.00 3.09 O +ATOM 73 CG2 THR A 14 45.552 29.872 49.471 1.00 2.70 C +ATOM 74 N LEU A 15 45.333 32.697 51.823 1.00 12.60 N +ATOM 75 CA LEU A 15 45.137 34.102 51.500 1.00 18.04 C +ATOM 76 C LEU A 15 46.413 34.842 51.915 1.00 18.91 C +ATOM 77 O LEU A 15 46.920 35.617 51.125 1.00 24.02 O +ATOM 78 CB LEU A 15 43.918 34.726 52.272 1.00 13.36 C +ATOM 79 CG LEU A 15 42.453 34.345 51.957 1.00 17.86 C +ATOM 80 CD1 LEU A 15 41.528 34.380 53.157 1.00 5.97 C +ATOM 81 CD2 LEU A 15 41.919 35.411 50.978 1.00 16.54 C +ATOM 82 N ALA A 16 47.024 34.611 53.098 1.00 20.43 N +ATOM 83 CA ALA A 16 48.240 35.286 53.595 1.00 12.60 C +ATOM 84 C ALA A 16 49.386 35.023 52.622 1.00 9.39 C +ATOM 85 O ALA A 16 50.046 35.915 52.111 1.00 8.54 O +ATOM 86 CB ALA A 16 48.553 34.710 54.963 1.00 10.25 C +ATOM 87 N LEU A 17 49.555 33.756 52.331 1.00 3.49 N +ATOM 88 CA LEU A 17 50.437 33.258 51.308 1.00 8.79 C +ATOM 89 C LEU A 17 50.260 33.950 49.953 1.00 12.64 C +ATOM 90 O LEU A 17 51.249 34.451 49.426 1.00 15.32 O +ATOM 91 CB LEU A 17 50.185 31.777 51.183 1.00 2.77 C +ATOM 92 CG LEU A 17 51.138 30.756 51.710 1.00 3.37 C +ATOM 93 CD1 LEU A 17 51.937 31.244 52.883 1.00 2.02 C +ATOM 94 CD2 LEU A 17 50.355 29.538 52.038 1.00 3.06 C +ATOM 95 N LEU A 18 49.081 34.070 49.338 1.00 15.88 N +ATOM 96 CA LEU A 18 48.915 34.698 48.043 1.00 14.75 C +ATOM 97 C LEU A 18 49.373 36.111 48.155 1.00 16.10 C +ATOM 98 O LEU A 18 50.060 36.562 47.257 1.00 18.29 O +ATOM 99 CB LEU A 18 47.457 34.772 47.551 1.00 15.69 C +ATOM 100 CG LEU A 18 46.698 33.569 47.073 1.00 15.86 C +ATOM 101 CD1 LEU A 18 45.299 34.017 46.890 1.00 16.07 C +ATOM 102 CD2 LEU A 18 47.218 33.036 45.736 1.00 19.01 C +ATOM 103 N SER A 19 49.055 36.824 49.228 1.00 20.44 N +ATOM 104 CA SER A 19 49.482 38.216 49.393 1.00 25.14 C +ATOM 105 C SER A 19 50.985 38.435 49.554 1.00 23.70 C +ATOM 106 O SER A 19 51.518 39.492 49.227 1.00 24.09 O +ATOM 107 CB SER A 19 48.774 38.801 50.602 1.00 27.91 C +ATOM 108 OG SER A 19 47.387 38.452 50.460 1.00 39.76 O +ATOM 109 N THR A 20 51.631 37.415 50.096 1.00 23.31 N +ATOM 110 CA THR A 20 53.059 37.385 50.327 1.00 24.69 C +ATOM 111 C THR A 20 53.728 37.269 48.948 1.00 25.46 C +ATOM 112 O THR A 20 54.586 38.062 48.543 1.00 27.29 O +ATOM 113 CB THR A 20 53.201 36.177 51.296 1.00 22.48 C +ATOM 114 OG1 THR A 20 53.111 36.821 52.539 1.00 29.33 O +ATOM 115 CG2 THR A 20 54.414 35.325 51.257 1.00 26.23 C +ATOM 116 N HIS A 21 53.211 36.328 48.151 1.00 23.17 N +ATOM 117 CA HIS A 21 53.832 35.922 46.928 1.00 18.06 C +ATOM 118 C HIS A 21 53.367 36.609 45.683 1.00 16.50 C +ATOM 119 O HIS A 21 53.641 36.070 44.621 1.00 15.30 O +ATOM 120 CB HIS A 21 53.652 34.424 46.837 1.00 18.44 C +ATOM 121 CG HIS A 21 54.542 33.657 47.811 1.00 26.08 C +ATOM 122 ND1 HIS A 21 55.882 33.608 47.890 1.00 29.92 N +ATOM 123 CD2 HIS A 21 54.086 32.800 48.769 1.00 26.83 C +ATOM 124 CE1 HIS A 21 56.239 32.767 48.828 1.00 26.86 C +ATOM 125 NE2 HIS A 21 55.145 32.291 49.343 1.00 29.31 N +ATOM 126 N ARG A 22 52.817 37.811 45.693 1.00 17.63 N +ATOM 127 CA ARG A 22 52.226 38.302 44.450 1.00 22.38 C +ATOM 128 C ARG A 22 53.236 38.548 43.373 1.00 23.27 C +ATOM 129 O ARG A 22 53.137 38.069 42.244 1.00 24.42 O +ATOM 130 CB ARG A 22 51.477 39.611 44.616 1.00 23.13 C +ATOM 131 CG ARG A 22 50.026 39.413 44.916 1.00 30.48 C +ATOM 132 CD ARG A 22 49.435 40.804 45.036 1.00 37.95 C +ATOM 133 NE ARG A 22 49.246 41.414 43.722 1.00 42.18 N +ATOM 134 CZ ARG A 22 48.090 41.310 43.043 1.00 43.91 C +ATOM 135 NH1 ARG A 22 47.018 40.632 43.524 1.00 43.30 N +ATOM 136 NH2 ARG A 22 48.024 41.918 41.856 1.00 43.49 N +ATOM 137 N THR A 23 54.273 39.251 43.778 1.00 25.33 N +ATOM 138 CA THR A 23 55.372 39.623 42.888 1.00 25.54 C +ATOM 139 C THR A 23 55.997 38.431 42.208 1.00 19.81 C +ATOM 140 O THR A 23 56.272 38.509 41.016 1.00 20.58 O +ATOM 141 CB THR A 23 56.381 40.441 43.713 1.00 29.90 C +ATOM 142 OG1 THR A 23 55.841 40.639 45.046 1.00 37.01 O +ATOM 143 CG2 THR A 23 56.595 41.818 43.064 1.00 34.59 C +ATOM 144 N LEU A 24 56.053 37.273 42.835 1.00 14.40 N +ATOM 145 CA LEU A 24 56.623 36.145 42.128 1.00 14.90 C +ATOM 146 C LEU A 24 55.697 35.730 41.005 1.00 16.68 C +ATOM 147 O LEU A 24 56.057 35.422 39.852 1.00 18.96 O +ATOM 148 CB LEU A 24 56.841 35.011 43.136 1.00 13.51 C +ATOM 149 CG LEU A 24 56.884 33.522 42.721 1.00 16.99 C +ATOM 150 CD1 LEU A 24 57.875 33.182 41.589 1.00 17.89 C +ATOM 151 CD2 LEU A 24 57.291 32.776 43.974 1.00 13.25 C +ATOM 152 N LEU A 25 54.413 35.797 41.308 1.00 19.21 N +ATOM 153 CA LEU A 25 53.467 35.197 40.372 1.00 18.75 C +ATOM 154 C LEU A 25 53.140 36.138 39.185 1.00 17.29 C +ATOM 155 O LEU A 25 52.987 35.634 38.064 1.00 14.13 O +ATOM 156 CB LEU A 25 52.261 34.778 41.241 1.00 15.23 C +ATOM 157 CG LEU A 25 52.430 33.811 42.397 1.00 10.71 C +ATOM 158 CD1 LEU A 25 51.380 34.187 43.410 1.00 11.27 C +ATOM 159 CD2 LEU A 25 52.314 32.381 41.988 1.00 6.32 C +ATOM 160 N ILE A 26 53.081 37.471 39.380 1.00 15.63 N +ATOM 161 CA ILE A 26 52.895 38.402 38.277 1.00 22.13 C +ATOM 162 C ILE A 26 54.157 38.582 37.404 1.00 29.12 C +ATOM 163 O ILE A 26 54.164 39.250 36.349 1.00 28.35 O +ATOM 164 CB ILE A 26 52.465 39.803 38.763 1.00 18.71 C +ATOM 165 CG1 ILE A 26 53.465 40.482 39.661 1.00 19.58 C +ATOM 166 CG2 ILE A 26 51.171 39.602 39.519 1.00 20.26 C +ATOM 167 CD1 ILE A 26 52.987 41.903 40.092 1.00 17.88 C +ATOM 168 N ALA A 27 55.301 38.005 37.819 1.00 37.21 N +ATOM 169 CA ALA A 27 56.517 38.034 37.002 1.00 41.55 C +ATOM 170 C ALA A 27 56.288 37.301 35.664 1.00 45.30 C +ATOM 171 O ALA A 27 57.000 37.502 34.670 1.00 46.59 O +ATOM 172 CB ALA A 27 57.648 37.338 37.706 1.00 42.02 C +ATOM 173 N ASN A 28 55.257 36.447 35.589 1.00 45.94 N +ATOM 174 CA ASN A 28 54.870 35.745 34.368 1.00 45.67 C +ATOM 175 C ASN A 28 54.136 36.826 33.531 1.00 43.52 C +ATOM 176 O ASN A 28 52.949 36.678 33.214 1.00 43.65 O +ATOM 177 CB ASN A 28 53.913 34.573 34.766 1.00 49.50 C +ATOM 178 CG ASN A 28 54.349 33.411 35.687 1.00 50.99 C +ATOM 179 OD1 ASN A 28 55.007 32.498 35.195 1.00 54.35 O +ATOM 180 ND2 ASN A 28 53.985 33.268 36.966 1.00 46.78 N +ATOM 181 N GLU A 29 54.735 37.941 33.101 1.00 39.97 N +ATOM 182 CA GLU A 29 53.991 39.046 32.467 1.00 39.98 C +ATOM 183 C GLU A 29 53.179 38.737 31.161 1.00 37.52 C +ATOM 184 O GLU A 29 52.215 39.420 30.800 1.00 36.73 O +ATOM 185 CB GLU A 29 55.030 40.181 32.257 1.00 39.93 C +ATOM 186 CG GLU A 29 54.603 41.659 32.120 1.00 41.35 C +ATOM 187 CD GLU A 29 54.725 42.572 33.357 1.00 43.78 C +ATOM 188 OE1 GLU A 29 54.673 42.063 34.481 1.00 46.81 O +ATOM 189 OE2 GLU A 29 54.858 43.801 33.211 1.00 41.99 O +ATOM 190 N THR A 30 53.569 37.636 30.515 1.00 35.51 N +ATOM 191 CA THR A 30 53.087 37.060 29.265 1.00 32.09 C +ATOM 192 C THR A 30 51.925 36.071 29.451 1.00 32.65 C +ATOM 193 O THR A 30 51.333 35.582 28.467 1.00 31.41 O +ATOM 194 CB THR A 30 54.407 36.421 28.637 1.00 31.21 C +ATOM 195 OG1 THR A 30 55.115 37.469 27.941 1.00 29.89 O +ATOM 196 CG2 THR A 30 54.136 35.192 27.795 1.00 26.87 C +ATOM 197 N LEU A 31 51.596 35.682 30.695 1.00 32.24 N +ATOM 198 CA LEU A 31 50.572 34.637 30.866 1.00 29.89 C +ATOM 199 C LEU A 31 49.207 35.288 30.899 1.00 28.95 C +ATOM 200 O LEU A 31 49.020 36.379 31.466 1.00 26.70 O +ATOM 201 CB LEU A 31 50.777 33.881 32.147 1.00 26.81 C +ATOM 202 CG LEU A 31 50.147 32.531 32.346 1.00 30.20 C +ATOM 203 CD1 LEU A 31 50.500 31.507 31.289 1.00 31.29 C +ATOM 204 CD2 LEU A 31 50.707 32.028 33.664 1.00 33.71 C +ATOM 205 N ARG A 32 48.281 34.573 30.258 1.00 27.79 N +ATOM 206 CA ARG A 32 46.933 35.065 30.069 1.00 25.80 C +ATOM 207 C ARG A 32 46.015 33.971 30.548 1.00 25.58 C +ATOM 208 O ARG A 32 46.068 32.870 29.965 1.00 21.48 O +ATOM 209 CB ARG A 32 46.779 35.319 28.619 1.00 26.25 C +ATOM 210 CG ARG A 32 46.770 36.788 28.357 1.00 26.43 C +ATOM 211 CD ARG A 32 48.020 37.564 28.625 1.00 28.46 C +ATOM 212 NE ARG A 32 47.692 38.927 28.293 1.00 31.68 N +ATOM 213 CZ ARG A 32 48.427 39.947 28.707 1.00 36.99 C +ATOM 214 NH1 ARG A 32 49.563 39.779 29.441 1.00 37.87 N +ATOM 215 NH2 ARG A 32 47.883 41.163 28.503 1.00 37.60 N +ATOM 216 N ILE A 33 45.299 34.238 31.679 1.00 23.87 N +ATOM 217 CA ILE A 33 44.421 33.240 32.303 1.00 21.19 C +ATOM 218 C ILE A 33 42.959 33.672 32.121 1.00 22.42 C +ATOM 219 O ILE A 33 42.599 34.854 32.181 1.00 18.75 O +ATOM 220 CB ILE A 33 44.670 33.059 33.837 1.00 19.09 C +ATOM 221 CG1 ILE A 33 46.058 33.410 34.383 1.00 19.77 C +ATOM 222 CG2 ILE A 33 44.528 31.533 34.034 1.00 18.79 C +ATOM 223 CD1 ILE A 33 47.111 32.272 34.488 1.00 10.68 C +ATOM 224 N PRO A 34 42.062 32.762 31.807 1.00 23.00 N +ATOM 225 CA PRO A 34 40.641 33.055 31.783 1.00 26.87 C +ATOM 226 C PRO A 34 40.094 33.553 33.128 1.00 27.17 C +ATOM 227 O PRO A 34 40.186 32.834 34.120 1.00 26.81 O +ATOM 228 CB PRO A 34 40.077 31.740 31.270 1.00 29.13 C +ATOM 229 CG PRO A 34 41.090 30.652 31.613 1.00 28.09 C +ATOM 230 CD PRO A 34 42.356 31.421 31.330 1.00 25.57 C +ATOM 231 N VAL A 35 39.612 34.799 33.218 1.00 27.32 N +ATOM 232 CA VAL A 35 38.968 35.338 34.406 1.00 29.86 C +ATOM 233 C VAL A 35 37.445 35.560 34.144 1.00 33.86 C +ATOM 234 O VAL A 35 37.060 36.166 33.124 1.00 33.60 O +ATOM 235 CB VAL A 35 39.682 36.643 34.770 1.00 29.33 C +ATOM 236 CG1 VAL A 35 39.090 37.342 35.995 1.00 25.86 C +ATOM 237 CG2 VAL A 35 41.125 36.266 35.056 1.00 30.94 C +ATOM 238 N PRO A 36 36.526 35.068 35.004 1.00 35.36 N +ATOM 239 CA PRO A 36 35.077 35.281 34.914 1.00 36.08 C +ATOM 240 C PRO A 36 34.648 36.741 34.768 1.00 36.01 C +ATOM 241 O PRO A 36 35.228 37.593 35.448 1.00 34.50 O +ATOM 242 CB PRO A 36 34.530 34.639 36.179 1.00 35.37 C +ATOM 243 CG PRO A 36 35.473 33.505 36.470 1.00 33.97 C +ATOM 244 CD PRO A 36 36.821 34.113 36.068 1.00 36.38 C +ATOM 245 N VAL A 37 33.634 37.129 33.970 1.00 34.83 N +ATOM 246 CA VAL A 37 33.355 38.561 33.917 1.00 33.08 C +ATOM 247 C VAL A 37 32.324 38.936 34.977 1.00 31.95 C +ATOM 248 O VAL A 37 31.877 40.086 34.998 1.00 34.37 O +ATOM 249 CB VAL A 37 32.829 39.035 32.516 1.00 35.80 C +ATOM 250 CG1 VAL A 37 33.406 40.437 32.297 1.00 34.99 C +ATOM 251 CG2 VAL A 37 33.279 38.170 31.338 1.00 38.48 C +ATOM 252 N HIS A 38 31.945 38.070 35.935 1.00 27.96 N +ATOM 253 CA HIS A 38 30.901 38.372 36.937 1.00 25.72 C +ATOM 254 C HIS A 38 31.408 37.920 38.308 1.00 27.47 C +ATOM 255 O HIS A 38 32.366 37.144 38.358 1.00 27.57 O +ATOM 256 CB HIS A 38 29.564 37.613 36.674 1.00 14.43 C +ATOM 257 CG HIS A 38 29.748 36.101 36.683 1.00 8.09 C +ATOM 258 ND1 HIS A 38 29.674 35.245 37.693 1.00 6.67 N +ATOM 259 CD2 HIS A 38 30.032 35.349 35.564 1.00 11.16 C +ATOM 260 CE1 HIS A 38 29.899 34.027 37.253 1.00 7.36 C +ATOM 261 NE2 HIS A 38 30.114 34.098 35.968 1.00 14.30 N +ATOM 262 N LYS A 39 30.624 38.225 39.374 1.00 28.98 N +ATOM 263 CA LYS A 39 30.977 37.931 40.774 1.00 27.31 C +ATOM 264 C LYS A 39 30.325 36.681 41.374 1.00 25.55 C +ATOM 265 O LYS A 39 30.583 36.402 42.549 1.00 26.73 O +ATOM 266 CB LYS A 39 30.639 39.097 41.719 1.00 28.36 C +ATOM 267 CG LYS A 39 30.814 40.521 41.167 1.00 33.91 C +ATOM 268 CD LYS A 39 29.645 40.925 40.237 1.00 39.36 C +ATOM 269 CE LYS A 39 29.798 42.333 39.648 1.00 45.37 C +ATOM 270 NZ LYS A 39 28.728 42.647 38.705 1.00 50.87 N +ATOM 271 N ASN A 40 29.523 35.892 40.628 1.00 21.73 N +ATOM 272 CA ASN A 40 29.005 34.599 41.106 1.00 20.23 C +ATOM 273 C ASN A 40 30.120 33.559 41.039 1.00 21.44 C +ATOM 274 O ASN A 40 30.088 32.576 40.268 1.00 21.61 O +ATOM 275 CB ASN A 40 27.790 34.124 40.251 1.00 20.95 C +ATOM 276 CG ASN A 40 26.839 35.291 40.182 1.00 22.96 C +ATOM 277 OD1 ASN A 40 27.069 36.251 39.438 1.00 29.84 O +ATOM 278 ND2 ASN A 40 25.892 35.443 41.041 1.00 23.41 N +ATOM 279 N HIS A 41 31.088 33.790 41.961 1.00 18.46 N +ATOM 280 CA HIS A 41 32.375 33.111 42.018 1.00 18.08 C +ATOM 281 C HIS A 41 32.244 31.618 42.013 1.00 17.52 C +ATOM 282 O HIS A 41 33.010 30.962 41.306 1.00 19.10 O +ATOM 283 CB HIS A 41 33.196 33.525 43.287 1.00 17.62 C +ATOM 284 CG HIS A 41 33.526 35.025 43.434 1.00 19.29 C +ATOM 285 ND1 HIS A 41 32.918 36.007 44.154 1.00 22.19 N +ATOM 286 CD2 HIS A 41 34.522 35.651 42.738 1.00 19.63 C +ATOM 287 CE1 HIS A 41 33.485 37.166 43.915 1.00 21.68 C +ATOM 288 NE2 HIS A 41 34.454 36.940 43.053 1.00 24.57 N +ATOM 289 N GLN A 42 31.216 31.070 42.657 1.00 17.00 N +ATOM 290 CA GLN A 42 31.119 29.618 42.863 1.00 19.26 C +ATOM 291 C GLN A 42 30.570 28.812 41.707 1.00 21.10 C +ATOM 292 O GLN A 42 30.602 27.565 41.767 1.00 20.49 O +ATOM 293 CB GLN A 42 30.257 29.261 44.081 1.00 21.47 C +ATOM 294 CG GLN A 42 30.332 30.294 45.219 1.00 24.98 C +ATOM 295 CD GLN A 42 29.548 29.868 46.453 1.00 28.60 C +ATOM 296 OE1 GLN A 42 29.306 28.683 46.693 1.00 27.10 O +ATOM 297 NE2 GLN A 42 29.098 30.811 47.285 1.00 29.40 N +ATOM 298 N LEU A 43 30.083 29.483 40.633 1.00 22.58 N +ATOM 299 CA LEU A 43 29.714 28.733 39.416 1.00 24.03 C +ATOM 300 C LEU A 43 31.032 28.397 38.686 1.00 26.90 C +ATOM 301 O LEU A 43 31.255 27.309 38.138 1.00 30.14 O +ATOM 302 CB LEU A 43 28.792 29.578 38.490 1.00 21.13 C +ATOM 303 CG LEU A 43 27.572 30.288 39.145 1.00 20.86 C +ATOM 304 CD1 LEU A 43 26.985 31.309 38.191 1.00 19.72 C +ATOM 305 CD2 LEU A 43 26.546 29.246 39.575 1.00 16.82 C +ATOM 306 N CYS A 44 32.028 29.296 38.737 1.00 28.18 N +ATOM 307 CA CYS A 44 33.278 29.112 38.035 1.00 25.47 C +ATOM 308 C CYS A 44 34.351 28.302 38.799 1.00 26.08 C +ATOM 309 O CYS A 44 35.515 28.344 38.409 1.00 21.79 O +ATOM 310 CB CYS A 44 33.744 30.498 37.699 1.00 26.46 C +ATOM 311 SG CYS A 44 32.508 31.645 37.002 1.00 21.10 S +ATOM 312 N THR A 45 34.082 27.434 39.791 1.00 27.95 N +ATOM 313 CA THR A 45 35.169 26.890 40.594 1.00 28.73 C +ATOM 314 C THR A 45 36.041 26.035 39.732 1.00 31.12 C +ATOM 315 O THR A 45 37.257 26.139 39.876 1.00 34.55 O +ATOM 316 CB THR A 45 34.764 25.992 41.788 1.00 21.08 C +ATOM 317 OG1 THR A 45 34.003 24.954 41.277 1.00 21.84 O +ATOM 318 CG2 THR A 45 33.959 26.689 42.826 1.00 21.51 C +ATOM 319 N GLU A 46 35.552 25.236 38.800 1.00 33.30 N +ATOM 320 CA GLU A 46 36.532 24.468 38.065 1.00 37.28 C +ATOM 321 C GLU A 46 37.295 25.154 36.896 1.00 35.92 C +ATOM 322 O GLU A 46 38.365 24.704 36.472 1.00 33.82 O +ATOM 323 CB GLU A 46 35.765 23.180 37.760 1.00 40.81 C +ATOM 324 CG GLU A 46 36.199 22.054 38.814 1.00 49.68 C +ATOM 325 CD GLU A 46 36.291 22.210 40.386 1.00 53.47 C +ATOM 326 OE1 GLU A 46 36.538 23.292 40.949 1.00 51.38 O +ATOM 327 OE2 GLU A 46 36.144 21.190 41.085 1.00 54.13 O +ATOM 328 N GLU A 47 36.901 26.368 36.502 1.00 33.95 N +ATOM 329 CA GLU A 47 37.683 27.187 35.583 1.00 32.78 C +ATOM 330 C GLU A 47 38.797 27.897 36.365 1.00 33.53 C +ATOM 331 O GLU A 47 39.815 28.302 35.780 1.00 34.09 O +ATOM 332 CB GLU A 47 36.842 28.262 34.927 1.00 32.67 C +ATOM 333 CG GLU A 47 35.887 27.727 33.871 1.00 39.85 C +ATOM 334 CD GLU A 47 34.641 26.982 34.384 1.00 45.57 C +ATOM 335 OE1 GLU A 47 34.028 27.431 35.367 1.00 45.75 O +ATOM 336 OE2 GLU A 47 34.276 25.953 33.786 1.00 47.47 O +ATOM 337 N ILE A 48 38.560 28.112 37.688 1.00 30.57 N +ATOM 338 CA ILE A 48 39.510 28.683 38.626 1.00 25.35 C +ATOM 339 C ILE A 48 40.522 27.600 38.905 1.00 23.95 C +ATOM 340 O ILE A 48 41.706 27.879 38.734 1.00 22.29 O +ATOM 341 CB ILE A 48 38.843 29.105 39.922 1.00 24.77 C +ATOM 342 CG1 ILE A 48 38.021 30.337 39.595 1.00 26.37 C +ATOM 343 CG2 ILE A 48 39.843 29.453 41.020 1.00 21.48 C +ATOM 344 CD1 ILE A 48 37.004 30.761 40.718 1.00 22.48 C +ATOM 345 N PHE A 49 40.156 26.376 39.245 1.00 21.66 N +ATOM 346 CA PHE A 49 41.172 25.380 39.453 1.00 22.77 C +ATOM 347 C PHE A 49 42.025 25.037 38.236 1.00 26.84 C +ATOM 348 O PHE A 49 43.183 24.619 38.365 1.00 30.77 O +ATOM 349 CB PHE A 49 40.480 24.187 40.051 1.00 20.83 C +ATOM 350 CG PHE A 49 40.462 24.559 41.530 1.00 26.71 C +ATOM 351 CD1 PHE A 49 41.629 24.482 42.290 1.00 23.44 C +ATOM 352 CD2 PHE A 49 39.331 25.087 42.118 1.00 24.46 C +ATOM 353 CE1 PHE A 49 41.658 24.934 43.589 1.00 23.57 C +ATOM 354 CE2 PHE A 49 39.390 25.538 43.433 1.00 26.76 C +ATOM 355 CZ PHE A 49 40.543 25.468 44.176 1.00 23.29 C +ATOM 356 N GLN A 50 41.521 25.266 37.020 1.00 30.12 N +ATOM 357 CA GLN A 50 42.296 25.147 35.800 1.00 28.92 C +ATOM 358 C GLN A 50 43.264 26.317 35.762 1.00 28.17 C +ATOM 359 O GLN A 50 44.446 26.073 35.519 1.00 30.55 O +ATOM 360 CB GLN A 50 41.376 25.160 34.593 1.00 29.48 C +ATOM 361 CG GLN A 50 41.198 23.701 34.248 1.00 33.57 C +ATOM 362 CD GLN A 50 39.961 23.398 33.417 1.00 40.08 C +ATOM 363 OE1 GLN A 50 39.394 24.246 32.717 1.00 40.15 O +ATOM 364 NE2 GLN A 50 39.512 22.145 33.472 1.00 41.37 N +ATOM 365 N GLY A 51 42.866 27.559 36.050 1.00 25.76 N +ATOM 366 CA GLY A 51 43.809 28.679 36.172 1.00 24.90 C +ATOM 367 C GLY A 51 44.966 28.437 37.160 1.00 22.64 C +ATOM 368 O GLY A 51 46.085 28.751 36.835 1.00 18.70 O +ATOM 369 N ILE A 52 44.781 27.884 38.358 1.00 23.81 N +ATOM 370 CA ILE A 52 45.856 27.599 39.309 1.00 24.20 C +ATOM 371 C ILE A 52 46.823 26.577 38.723 1.00 25.86 C +ATOM 372 O ILE A 52 47.988 26.949 38.624 1.00 28.06 O +ATOM 373 CB ILE A 52 45.245 27.088 40.625 1.00 18.35 C +ATOM 374 CG1 ILE A 52 44.572 28.264 41.262 1.00 18.70 C +ATOM 375 CG2 ILE A 52 46.268 26.474 41.551 1.00 12.42 C +ATOM 376 CD1 ILE A 52 43.535 27.742 42.246 1.00 15.79 C +ATOM 377 N GLY A 53 46.489 25.350 38.309 1.00 26.07 N +ATOM 378 CA GLY A 53 47.445 24.428 37.669 1.00 27.97 C +ATOM 379 C GLY A 53 48.256 25.066 36.486 1.00 29.28 C +ATOM 380 O GLY A 53 49.410 24.689 36.255 1.00 27.61 O +ATOM 381 N THR A 54 47.744 26.038 35.703 1.00 25.40 N +ATOM 382 CA THR A 54 48.559 26.721 34.718 1.00 25.32 C +ATOM 383 C THR A 54 49.590 27.519 35.486 1.00 24.23 C +ATOM 384 O THR A 54 50.768 27.300 35.258 1.00 27.34 O +ATOM 385 CB THR A 54 47.662 27.646 33.769 1.00 25.36 C +ATOM 386 OG1 THR A 54 47.130 26.757 32.762 1.00 23.79 O +ATOM 387 CG2 THR A 54 48.393 28.788 33.084 1.00 20.81 C +ATOM 388 N LEU A 55 49.239 28.337 36.449 1.00 22.17 N +ATOM 389 CA LEU A 55 50.172 29.125 37.217 1.00 21.71 C +ATOM 390 C LEU A 55 51.167 28.215 37.923 1.00 22.07 C +ATOM 391 O LEU A 55 52.351 28.502 38.005 1.00 22.31 O +ATOM 392 CB LEU A 55 49.367 29.916 38.179 1.00 18.08 C +ATOM 393 CG LEU A 55 49.840 31.265 38.581 1.00 21.59 C +ATOM 394 CD1 LEU A 55 50.076 32.119 37.383 1.00 27.66 C +ATOM 395 CD2 LEU A 55 48.751 31.944 39.392 1.00 20.57 C +ATOM 396 N GLU A 56 50.748 27.034 38.319 1.00 20.81 N +ATOM 397 CA GLU A 56 51.616 26.103 38.986 1.00 21.10 C +ATOM 398 C GLU A 56 52.709 25.637 38.066 1.00 25.05 C +ATOM 399 O GLU A 56 53.789 25.283 38.532 1.00 30.54 O +ATOM 400 CB GLU A 56 50.872 24.882 39.430 1.00 20.39 C +ATOM 401 CG GLU A 56 51.651 24.021 40.384 1.00 18.39 C +ATOM 402 CD GLU A 56 50.866 22.896 40.989 1.00 26.98 C +ATOM 403 OE1 GLU A 56 49.639 23.026 41.097 1.00 34.13 O +ATOM 404 OE2 GLU A 56 51.475 21.900 41.396 1.00 28.30 O +ATOM 405 N SER A 57 52.490 25.591 36.764 1.00 25.59 N +ATOM 406 CA SER A 57 53.492 25.080 35.869 1.00 25.00 C +ATOM 407 C SER A 57 54.282 26.207 35.209 1.00 22.61 C +ATOM 408 O SER A 57 55.108 26.009 34.333 1.00 26.11 O +ATOM 409 CB SER A 57 52.715 24.166 34.904 1.00 28.41 C +ATOM 410 OG SER A 57 51.596 24.812 34.284 1.00 26.32 O +ATOM 411 N GLN A 58 54.073 27.442 35.580 1.00 23.28 N +ATOM 412 CA GLN A 58 54.825 28.559 35.058 1.00 26.79 C +ATOM 413 C GLN A 58 55.622 29.104 36.222 1.00 27.88 C +ATOM 414 O GLN A 58 56.158 30.213 36.127 1.00 32.89 O +ATOM 415 CB GLN A 58 53.941 29.672 34.597 1.00 31.57 C +ATOM 416 CG GLN A 58 52.913 29.289 33.556 1.00 44.37 C +ATOM 417 CD GLN A 58 53.504 28.969 32.188 1.00 49.52 C +ATOM 418 OE1 GLN A 58 54.113 29.815 31.518 1.00 52.88 O +ATOM 419 NE2 GLN A 58 53.310 27.727 31.743 1.00 51.94 N +ATOM 420 N THR A 59 55.751 28.468 37.397 1.00 26.14 N +ATOM 421 CA THR A 59 56.449 29.087 38.501 1.00 20.45 C +ATOM 422 C THR A 59 57.511 28.152 39.098 1.00 18.78 C +ATOM 423 O THR A 59 57.443 26.914 38.994 1.00 15.15 O +ATOM 424 CB THR A 59 55.268 29.532 39.405 1.00 20.44 C +ATOM 425 OG1 THR A 59 54.604 30.582 38.690 1.00 19.96 O +ATOM 426 CG2 THR A 59 55.693 30.119 40.741 1.00 22.23 C +ATOM 427 N VAL A 60 58.578 28.772 39.644 1.00 18.91 N +ATOM 428 CA VAL A 60 59.736 28.018 40.155 1.00 18.46 C +ATOM 429 C VAL A 60 59.247 27.273 41.344 1.00 16.76 C +ATOM 430 O VAL A 60 58.787 27.932 42.262 1.00 18.38 O +ATOM 431 CB VAL A 60 60.976 28.811 40.759 1.00 20.85 C +ATOM 432 CG1 VAL A 60 62.223 28.056 40.339 1.00 19.00 C +ATOM 433 CG2 VAL A 60 61.013 30.268 40.378 1.00 20.10 C +ATOM 434 N GLN A 61 59.368 25.979 41.401 1.00 16.31 N +ATOM 435 CA GLN A 61 58.965 25.305 42.599 1.00 22.04 C +ATOM 436 C GLN A 61 60.135 25.074 43.554 1.00 26.05 C +ATOM 437 O GLN A 61 61.254 25.517 43.270 1.00 30.13 O +ATOM 438 CB GLN A 61 58.299 24.018 42.159 1.00 30.33 C +ATOM 439 CG GLN A 61 56.895 24.230 41.468 1.00 33.82 C +ATOM 440 CD GLN A 61 55.857 24.869 42.393 1.00 34.88 C +ATOM 441 OE1 GLN A 61 55.778 26.087 42.525 1.00 33.83 O +ATOM 442 NE2 GLN A 61 55.052 24.095 43.118 1.00 36.63 N +ATOM 443 N GLY A 62 60.002 24.376 44.695 1.00 24.84 N +ATOM 444 CA GLY A 62 61.140 24.221 45.604 1.00 18.18 C +ATOM 445 C GLY A 62 61.133 25.280 46.683 1.00 14.78 C +ATOM 446 O GLY A 62 61.574 24.931 47.760 1.00 16.24 O +ATOM 447 N GLY A 63 60.676 26.528 46.561 1.00 13.56 N +ATOM 448 CA GLY A 63 60.703 27.457 47.676 1.00 11.74 C +ATOM 449 C GLY A 63 59.428 27.566 48.507 1.00 16.42 C +ATOM 450 O GLY A 63 58.547 26.709 48.519 1.00 13.12 O +ATOM 451 N THR A 64 59.257 28.719 49.170 1.00 17.90 N +ATOM 452 CA THR A 64 58.118 28.993 49.993 1.00 18.07 C +ATOM 453 C THR A 64 56.781 28.994 49.235 1.00 20.90 C +ATOM 454 O THR A 64 55.753 28.816 49.883 1.00 24.27 O +ATOM 455 CB THR A 64 58.326 30.356 50.683 1.00 15.53 C +ATOM 456 OG1 THR A 64 58.796 31.191 49.664 1.00 18.95 O +ATOM 457 CG2 THR A 64 59.262 30.366 51.834 1.00 11.96 C +ATOM 458 N VAL A 65 56.681 29.225 47.903 1.00 21.72 N +ATOM 459 CA VAL A 65 55.459 29.237 47.079 1.00 16.31 C +ATOM 460 C VAL A 65 54.844 27.850 46.963 1.00 16.16 C +ATOM 461 O VAL A 65 53.669 27.730 46.655 1.00 21.63 O +ATOM 462 CB VAL A 65 55.732 29.823 45.606 1.00 13.97 C +ATOM 463 CG1 VAL A 65 56.323 28.802 44.659 1.00 6.38 C +ATOM 464 CG2 VAL A 65 54.416 30.373 45.061 1.00 13.57 C +ATOM 465 N GLU A 66 55.530 26.778 47.294 1.00 15.03 N +ATOM 466 CA GLU A 66 54.990 25.437 47.260 1.00 15.53 C +ATOM 467 C GLU A 66 53.993 25.163 48.391 1.00 16.66 C +ATOM 468 O GLU A 66 53.271 24.170 48.368 1.00 20.32 O +ATOM 469 CB GLU A 66 56.110 24.460 47.361 1.00 17.76 C +ATOM 470 CG GLU A 66 56.165 23.563 46.160 1.00 27.70 C +ATOM 471 CD GLU A 66 56.923 22.284 46.489 1.00 37.51 C +ATOM 472 OE1 GLU A 66 56.607 21.667 47.516 1.00 38.23 O +ATOM 473 OE2 GLU A 66 57.828 21.909 45.726 1.00 43.19 O +ATOM 474 N ARG A 67 53.883 25.975 49.436 1.00 14.90 N +ATOM 475 CA ARG A 67 52.898 25.744 50.458 1.00 12.12 C +ATOM 476 C ARG A 67 51.624 26.263 49.781 1.00 11.72 C +ATOM 477 O ARG A 67 50.641 25.554 49.830 1.00 9.36 O +ATOM 478 CB ARG A 67 53.209 26.557 51.732 1.00 8.63 C +ATOM 479 CG ARG A 67 52.300 26.275 52.924 1.00 3.49 C +ATOM 480 CD ARG A 67 52.574 24.927 53.495 1.00 4.02 C +ATOM 481 NE ARG A 67 53.806 25.041 54.274 1.00 11.90 N +ATOM 482 CZ ARG A 67 54.487 23.969 54.703 1.00 10.90 C +ATOM 483 NH1 ARG A 67 54.109 22.715 54.483 1.00 3.91 N +ATOM 484 NH2 ARG A 67 55.671 24.169 55.261 1.00 15.64 N +ATOM 485 N LEU A 68 51.634 27.391 49.060 1.00 11.33 N +ATOM 486 CA LEU A 68 50.458 27.969 48.414 1.00 13.43 C +ATOM 487 C LEU A 68 49.863 26.998 47.446 1.00 14.43 C +ATOM 488 O LEU A 68 48.668 26.743 47.521 1.00 17.48 O +ATOM 489 CB LEU A 68 50.806 29.203 47.668 1.00 13.78 C +ATOM 490 CG LEU A 68 49.730 29.885 46.819 1.00 14.32 C +ATOM 491 CD1 LEU A 68 48.804 30.602 47.773 1.00 15.69 C +ATOM 492 CD2 LEU A 68 50.311 30.950 45.864 1.00 5.84 C +ATOM 493 N PHE A 69 50.680 26.331 46.635 1.00 16.43 N +ATOM 494 CA PHE A 69 50.188 25.345 45.678 1.00 16.31 C +ATOM 495 C PHE A 69 49.790 24.017 46.279 1.00 17.05 C +ATOM 496 O PHE A 69 48.963 23.301 45.692 1.00 17.57 O +ATOM 497 CB PHE A 69 51.245 25.110 44.537 1.00 14.24 C +ATOM 498 CG PHE A 69 51.411 26.344 43.642 1.00 17.29 C +ATOM 499 CD1 PHE A 69 50.262 27.020 43.145 1.00 17.05 C +ATOM 500 CD2 PHE A 69 52.690 26.837 43.395 1.00 14.47 C +ATOM 501 CE1 PHE A 69 50.357 28.198 42.417 1.00 13.52 C +ATOM 502 CE2 PHE A 69 52.779 28.014 42.668 1.00 14.95 C +ATOM 503 CZ PHE A 69 51.639 28.685 42.193 1.00 19.09 C +ATOM 504 N LYS A 70 50.330 23.654 47.432 1.00 17.66 N +ATOM 505 CA LYS A 70 49.978 22.383 48.033 1.00 18.61 C +ATOM 506 C LYS A 70 48.667 22.555 48.816 1.00 17.76 C +ATOM 507 O LYS A 70 47.851 21.622 48.858 1.00 19.25 O +ATOM 508 CB LYS A 70 51.174 21.958 48.881 1.00 21.03 C +ATOM 509 CG LYS A 70 50.974 21.454 50.297 1.00 31.00 C +ATOM 510 CD LYS A 70 50.657 22.529 51.405 1.00 34.94 C +ATOM 511 CE LYS A 70 50.381 21.821 52.774 1.00 35.85 C +ATOM 512 NZ LYS A 70 49.316 22.448 53.523 1.00 29.54 N +ATOM 513 N ASN A 71 48.470 23.739 49.416 1.00 13.39 N +ATOM 514 CA ASN A 71 47.243 24.171 50.102 1.00 11.50 C +ATOM 515 C ASN A 71 46.041 24.136 49.155 1.00 12.58 C +ATOM 516 O ASN A 71 45.041 23.489 49.464 1.00 8.49 O +ATOM 517 CB ASN A 71 47.291 25.613 50.610 1.00 2.03 C +ATOM 518 CG ASN A 71 47.900 25.708 51.978 1.00 3.11 C +ATOM 519 OD1 ASN A 71 48.469 24.766 52.531 1.00 4.27 O +ATOM 520 ND2 ASN A 71 47.835 26.861 52.595 1.00 2.65 N +ATOM 521 N LEU A 72 46.215 24.845 48.029 1.00 12.57 N +ATOM 522 CA LEU A 72 45.260 25.026 46.953 1.00 17.29 C +ATOM 523 C LEU A 72 44.920 23.638 46.419 1.00 18.97 C +ATOM 524 O LEU A 72 43.793 23.389 46.063 1.00 18.03 O +ATOM 525 CB LEU A 72 45.910 25.938 45.894 1.00 14.21 C +ATOM 526 CG LEU A 72 45.350 27.276 45.414 1.00 17.41 C +ATOM 527 CD1 LEU A 72 44.499 27.944 46.461 1.00 10.75 C +ATOM 528 CD2 LEU A 72 46.502 28.178 45.057 1.00 10.99 C +ATOM 529 N SER A 73 45.793 22.656 46.426 1.00 20.68 N +ATOM 530 CA SER A 73 45.436 21.322 46.006 1.00 22.71 C +ATOM 531 C SER A 73 44.488 20.748 47.062 1.00 25.18 C +ATOM 532 O SER A 73 43.562 19.983 46.780 1.00 25.35 O +ATOM 533 CB SER A 73 46.724 20.530 45.910 1.00 23.82 C +ATOM 534 OG SER A 73 46.741 19.188 45.433 1.00 27.88 O +ATOM 535 N LEU A 74 44.705 21.064 48.332 1.00 24.14 N +ATOM 536 CA LEU A 74 43.874 20.517 49.380 1.00 20.47 C +ATOM 537 C LEU A 74 42.490 21.144 49.325 1.00 19.42 C +ATOM 538 O LEU A 74 41.479 20.444 49.376 1.00 18.97 O +ATOM 539 CB LEU A 74 44.587 20.782 50.678 1.00 18.98 C +ATOM 540 CG LEU A 74 45.266 19.610 51.414 1.00 18.37 C +ATOM 541 CD1 LEU A 74 45.368 18.338 50.579 1.00 15.41 C +ATOM 542 CD2 LEU A 74 46.617 20.128 51.838 1.00 17.20 C +ATOM 543 N ILE A 75 42.411 22.447 49.133 1.00 14.91 N +ATOM 544 CA ILE A 75 41.137 23.112 49.071 1.00 16.53 C +ATOM 545 C ILE A 75 40.262 22.628 47.911 1.00 20.15 C +ATOM 546 O ILE A 75 39.023 22.592 47.987 1.00 26.95 O +ATOM 547 CB ILE A 75 41.425 24.598 49.010 1.00 10.07 C +ATOM 548 CG1 ILE A 75 41.839 25.053 50.388 1.00 8.92 C +ATOM 549 CG2 ILE A 75 40.211 25.346 48.514 1.00 10.27 C +ATOM 550 CD1 ILE A 75 42.116 26.564 50.412 1.00 9.69 C +ATOM 551 N LYS A 76 40.894 22.204 46.838 1.00 21.23 N +ATOM 552 CA LYS A 76 40.222 21.684 45.678 1.00 20.73 C +ATOM 553 C LYS A 76 39.732 20.300 46.057 1.00 21.77 C +ATOM 554 O LYS A 76 38.603 20.005 45.743 1.00 26.45 O +ATOM 555 CB LYS A 76 41.189 21.607 44.532 1.00 20.17 C +ATOM 556 CG LYS A 76 40.572 21.309 43.215 1.00 22.26 C +ATOM 557 CD LYS A 76 40.729 19.870 42.847 1.00 25.95 C +ATOM 558 CE LYS A 76 40.076 19.807 41.466 1.00 32.52 C +ATOM 559 NZ LYS A 76 40.202 18.468 40.913 1.00 32.80 N +ATOM 560 N LYS A 77 40.438 19.402 46.713 1.00 20.66 N +ATOM 561 CA LYS A 77 39.936 18.108 47.094 1.00 21.03 C +ATOM 562 C LYS A 77 38.767 18.334 48.079 1.00 22.91 C +ATOM 563 O LYS A 77 37.876 17.484 48.187 1.00 19.01 O +ATOM 564 CB LYS A 77 41.051 17.320 47.777 1.00 25.42 C +ATOM 565 CG LYS A 77 40.806 15.834 47.856 1.00 29.86 C +ATOM 566 CD LYS A 77 41.557 15.214 49.026 1.00 38.01 C +ATOM 567 CE LYS A 77 41.274 13.694 48.941 1.00 45.10 C +ATOM 568 NZ LYS A 77 42.147 12.866 49.775 1.00 49.31 N +ATOM 569 N TYR A 78 38.727 19.457 48.827 1.00 22.56 N +ATOM 570 CA TYR A 78 37.592 19.738 49.691 1.00 23.15 C +ATOM 571 C TYR A 78 36.335 20.050 48.834 1.00 23.36 C +ATOM 572 O TYR A 78 35.305 19.383 49.041 1.00 23.94 O +ATOM 573 CB TYR A 78 37.912 20.927 50.623 1.00 21.65 C +ATOM 574 CG TYR A 78 36.678 21.423 51.402 1.00 19.56 C +ATOM 575 CD1 TYR A 78 36.194 20.616 52.390 1.00 16.09 C +ATOM 576 CD2 TYR A 78 36.081 22.662 51.091 1.00 19.53 C +ATOM 577 CE1 TYR A 78 35.106 21.047 53.076 1.00 18.68 C +ATOM 578 CE2 TYR A 78 34.990 23.112 51.779 1.00 14.13 C +ATOM 579 CZ TYR A 78 34.544 22.267 52.766 1.00 19.38 C +ATOM 580 OH TYR A 78 33.480 22.641 53.537 1.00 25.01 O +ATOM 581 N ILE A 79 36.371 21.071 47.951 1.00 18.01 N +ATOM 582 CA ILE A 79 35.306 21.349 47.019 1.00 16.35 C +ATOM 583 C ILE A 79 34.921 20.083 46.280 1.00 19.64 C +ATOM 584 O ILE A 79 33.743 19.775 46.251 1.00 25.99 O +ATOM 585 CB ILE A 79 35.745 22.413 46.036 1.00 12.79 C +ATOM 586 CG1 ILE A 79 35.802 23.661 46.816 1.00 7.70 C +ATOM 587 CG2 ILE A 79 34.803 22.580 44.858 1.00 9.92 C +ATOM 588 CD1 ILE A 79 36.621 24.704 46.117 1.00 12.46 C +ATOM 589 N ASP A 80 35.765 19.254 45.714 1.00 21.82 N +ATOM 590 CA ASP A 80 35.358 18.035 45.053 1.00 21.87 C +ATOM 591 C ASP A 80 34.660 17.118 45.990 1.00 23.87 C +ATOM 592 O ASP A 80 34.061 16.170 45.491 1.00 27.74 O +ATOM 593 CB ASP A 80 36.507 17.227 44.514 1.00 21.39 C +ATOM 594 CG ASP A 80 37.226 17.886 43.348 1.00 26.58 C +ATOM 595 OD1 ASP A 80 36.713 18.856 42.757 1.00 23.66 O +ATOM 596 OD2 ASP A 80 38.326 17.396 43.048 1.00 32.56 O +ATOM 597 N GLY A 81 34.759 17.323 47.300 1.00 20.65 N +ATOM 598 CA GLY A 81 34.030 16.485 48.228 1.00 22.12 C +ATOM 599 C GLY A 81 32.577 16.970 48.363 1.00 22.51 C +ATOM 600 O GLY A 81 31.620 16.191 48.297 1.00 23.22 O +ATOM 601 N GLN A 82 32.431 18.289 48.533 1.00 21.59 N +ATOM 602 CA GLN A 82 31.173 18.987 48.661 1.00 19.34 C +ATOM 603 C GLN A 82 30.365 18.705 47.436 1.00 20.77 C +ATOM 604 O GLN A 82 29.172 18.422 47.539 1.00 23.90 O +ATOM 605 CB GLN A 82 31.336 20.498 48.732 1.00 17.13 C +ATOM 606 CG GLN A 82 31.959 21.122 49.966 1.00 12.70 C +ATOM 607 CD GLN A 82 31.131 20.946 51.214 1.00 19.60 C +ATOM 608 OE1 GLN A 82 30.920 19.846 51.716 1.00 17.12 O +ATOM 609 NE2 GLN A 82 30.617 22.042 51.757 1.00 21.27 N +ATOM 610 N LYS A 83 30.997 18.778 46.272 1.00 21.88 N +ATOM 611 CA LYS A 83 30.304 18.500 45.047 1.00 20.74 C +ATOM 612 C LYS A 83 29.758 17.107 44.932 1.00 21.90 C +ATOM 613 O LYS A 83 28.616 17.059 44.501 1.00 26.18 O +ATOM 614 CB LYS A 83 31.138 18.681 43.848 1.00 19.84 C +ATOM 615 CG LYS A 83 31.163 20.103 43.463 1.00 20.07 C +ATOM 616 CD LYS A 83 31.172 19.836 41.993 1.00 27.00 C +ATOM 617 CE LYS A 83 32.564 19.863 41.371 1.00 29.88 C +ATOM 618 NZ LYS A 83 33.045 21.235 41.322 1.00 34.31 N +ATOM 619 N LYS A 84 30.375 15.971 45.248 1.00 18.52 N +ATOM 620 CA LYS A 84 29.663 14.732 45.093 1.00 19.56 C +ATOM 621 C LYS A 84 28.691 14.547 46.237 1.00 23.54 C +ATOM 622 O LYS A 84 27.842 13.656 46.185 1.00 26.30 O +ATOM 623 CB LYS A 84 30.566 13.532 45.044 1.00 19.40 C +ATOM 624 CG LYS A 84 31.472 13.256 46.214 1.00 24.93 C +ATOM 625 CD LYS A 84 32.313 12.015 45.872 1.00 27.40 C +ATOM 626 CE LYS A 84 33.148 12.056 44.573 1.00 27.60 C +ATOM 627 NZ LYS A 84 33.953 13.257 44.367 1.00 29.47 N +ATOM 628 N LYS A 85 28.760 15.398 47.273 1.00 24.56 N +ATOM 629 CA LYS A 85 27.748 15.398 48.309 1.00 26.70 C +ATOM 630 C LYS A 85 26.450 16.058 47.716 1.00 28.19 C +ATOM 631 O LYS A 85 25.391 16.100 48.363 1.00 28.69 O +ATOM 632 CB LYS A 85 28.248 16.189 49.533 1.00 27.97 C +ATOM 633 CG LYS A 85 29.379 15.646 50.411 1.00 33.61 C +ATOM 634 CD LYS A 85 29.023 14.366 51.155 1.00 38.61 C +ATOM 635 CE LYS A 85 29.694 14.235 52.564 1.00 43.14 C +ATOM 636 NZ LYS A 85 29.221 15.193 53.573 1.00 44.30 N +ATOM 637 N CYS A 86 26.445 16.613 46.492 1.00 24.31 N +ATOM 638 CA CYS A 86 25.261 17.181 45.921 1.00 23.81 C +ATOM 639 C CYS A 86 24.256 16.162 45.432 1.00 24.04 C +ATOM 640 O CYS A 86 23.171 16.596 45.075 1.00 24.70 O +ATOM 641 CB CYS A 86 25.540 18.006 44.736 1.00 21.82 C +ATOM 642 SG CYS A 86 26.454 19.483 45.009 1.00 19.29 S +ATOM 643 N GLY A 87 24.528 14.856 45.383 1.00 22.64 N +ATOM 644 CA GLY A 87 23.596 13.952 44.761 1.00 21.92 C +ATOM 645 C GLY A 87 23.716 12.546 45.286 1.00 24.00 C +ATOM 646 O GLY A 87 23.508 11.578 44.567 1.00 24.25 O +ATOM 647 N GLU A 88 23.978 12.384 46.563 1.00 26.92 N +ATOM 648 CA GLU A 88 24.141 11.033 47.056 1.00 29.50 C +ATOM 649 C GLU A 88 22.983 10.505 47.872 1.00 30.89 C +ATOM 650 O GLU A 88 22.872 9.312 48.185 1.00 33.71 O +ATOM 651 CB GLU A 88 25.394 10.953 47.879 1.00 32.27 C +ATOM 652 CG GLU A 88 25.566 12.073 48.872 1.00 37.19 C +ATOM 653 CD GLU A 88 26.711 11.751 49.799 1.00 41.01 C +ATOM 654 OE1 GLU A 88 27.797 11.435 49.289 1.00 43.53 O +ATOM 655 OE2 GLU A 88 26.494 11.813 51.015 1.00 40.08 O +ATOM 656 N GLU A 89 22.111 11.400 48.297 1.00 31.34 N +ATOM 657 CA GLU A 89 20.897 10.977 48.962 1.00 27.73 C +ATOM 658 C GLU A 89 19.809 11.246 47.969 1.00 24.44 C +ATOM 659 O GLU A 89 19.687 12.353 47.431 1.00 22.59 O +ATOM 660 CB GLU A 89 20.636 11.792 50.211 1.00 30.50 C +ATOM 661 CG GLU A 89 21.629 11.507 51.330 1.00 31.93 C +ATOM 662 CD GLU A 89 21.004 11.789 52.684 1.00 33.55 C +ATOM 663 OE1 GLU A 89 20.815 12.968 53.018 1.00 33.90 O +ATOM 664 OE2 GLU A 89 20.697 10.815 53.375 1.00 31.68 O +ATOM 665 N ARG A 90 19.110 10.181 47.643 1.00 24.35 N +ATOM 666 CA ARG A 90 17.903 10.301 46.840 1.00 26.07 C +ATOM 667 C ARG A 90 16.731 10.329 47.849 1.00 26.86 C +ATOM 668 O ARG A 90 16.503 9.344 48.567 1.00 23.55 O +ATOM 669 CB ARG A 90 17.772 9.110 45.946 1.00 24.17 C +ATOM 670 CG ARG A 90 18.286 9.417 44.573 1.00 28.89 C +ATOM 671 CD ARG A 90 17.661 8.468 43.541 1.00 35.60 C +ATOM 672 NE ARG A 90 18.485 7.299 43.336 1.00 40.95 N +ATOM 673 CZ ARG A 90 18.542 6.246 44.166 1.00 43.35 C +ATOM 674 NH1 ARG A 90 17.814 6.158 45.285 1.00 42.50 N +ATOM 675 NH2 ARG A 90 19.419 5.274 43.870 1.00 44.25 N +ATOM 676 N ARG A 91 15.972 11.425 47.986 1.00 27.30 N +ATOM 677 CA ARG A 91 14.865 11.438 48.923 1.00 26.09 C +ATOM 678 C ARG A 91 13.575 11.987 48.310 1.00 25.47 C +ATOM 679 O ARG A 91 13.546 12.287 47.104 1.00 23.94 O +ATOM 680 CB ARG A 91 15.304 12.219 50.135 1.00 25.89 C +ATOM 681 CG ARG A 91 15.779 13.601 49.869 1.00 27.85 C +ATOM 682 CD ARG A 91 16.472 14.157 51.105 1.00 32.70 C +ATOM 683 NE ARG A 91 17.225 13.172 51.874 1.00 41.38 N +ATOM 684 CZ ARG A 91 17.337 13.284 53.223 1.00 45.60 C +ATOM 685 NH1 ARG A 91 16.785 14.305 53.913 1.00 45.20 N +ATOM 686 NH2 ARG A 91 17.960 12.326 53.919 1.00 43.83 N +ATOM 687 N ARG A 92 12.478 12.109 49.075 1.00 21.69 N +ATOM 688 CA ARG A 92 11.178 12.344 48.457 1.00 17.85 C +ATOM 689 C ARG A 92 11.017 13.741 47.929 1.00 15.51 C +ATOM 690 O ARG A 92 11.708 14.696 48.317 1.00 17.80 O +ATOM 691 CB ARG A 92 10.079 12.004 49.493 1.00 17.07 C +ATOM 692 CG ARG A 92 9.897 10.501 49.693 1.00 18.54 C +ATOM 693 CD ARG A 92 9.791 10.003 51.162 1.00 19.98 C +ATOM 694 NE ARG A 92 9.037 10.893 52.035 1.00 21.98 N +ATOM 695 CZ ARG A 92 9.413 11.169 53.283 1.00 21.97 C +ATOM 696 NH1 ARG A 92 10.486 10.624 53.832 1.00 23.44 N +ATOM 697 NH2 ARG A 92 8.828 12.141 53.967 1.00 25.03 N +ATOM 698 N VAL A 93 9.994 13.867 47.101 1.00 15.58 N +ATOM 699 CA VAL A 93 9.655 15.082 46.358 1.00 11.65 C +ATOM 700 C VAL A 93 9.437 16.292 47.226 1.00 11.94 C +ATOM 701 O VAL A 93 9.954 17.355 46.898 1.00 11.23 O +ATOM 702 CB VAL A 93 8.367 14.817 45.447 1.00 11.29 C +ATOM 703 CG1 VAL A 93 7.995 16.010 44.592 1.00 5.57 C +ATOM 704 CG2 VAL A 93 8.683 13.769 44.430 1.00 7.26 C +ATOM 705 N ASN A 94 8.668 16.262 48.326 1.00 15.07 N +ATOM 706 CA ASN A 94 8.527 17.484 49.146 1.00 14.02 C +ATOM 707 C ASN A 94 9.860 17.908 49.772 1.00 13.02 C +ATOM 708 O ASN A 94 10.122 19.096 50.008 1.00 13.85 O +ATOM 709 CB ASN A 94 7.575 17.291 50.259 1.00 11.99 C +ATOM 710 CG ASN A 94 7.865 16.054 51.069 1.00 13.56 C +ATOM 711 OD1 ASN A 94 7.682 14.990 50.480 1.00 15.01 O +ATOM 712 ND2 ASN A 94 8.282 16.057 52.319 1.00 7.68 N +ATOM 713 N GLN A 95 10.747 16.949 50.033 1.00 13.31 N +ATOM 714 CA GLN A 95 12.070 17.259 50.561 1.00 9.83 C +ATOM 715 C GLN A 95 12.840 17.865 49.416 1.00 13.24 C +ATOM 716 O GLN A 95 13.386 18.936 49.651 1.00 14.56 O +ATOM 717 CB GLN A 95 12.716 16.016 51.032 1.00 9.63 C +ATOM 718 CG GLN A 95 12.038 15.571 52.315 1.00 5.14 C +ATOM 719 CD GLN A 95 12.691 14.337 52.857 1.00 9.76 C +ATOM 720 OE1 GLN A 95 13.162 13.499 52.102 1.00 11.16 O +ATOM 721 NE2 GLN A 95 12.775 14.150 54.143 1.00 11.42 N +ATOM 722 N PHE A 96 12.884 17.324 48.185 1.00 14.12 N +ATOM 723 CA PHE A 96 13.471 18.066 47.071 1.00 13.91 C +ATOM 724 C PHE A 96 12.890 19.461 46.999 1.00 15.26 C +ATOM 725 O PHE A 96 13.705 20.390 46.906 1.00 21.73 O +ATOM 726 CB PHE A 96 13.223 17.415 45.703 1.00 13.90 C +ATOM 727 CG PHE A 96 13.831 18.183 44.521 1.00 18.84 C +ATOM 728 CD1 PHE A 96 15.209 18.346 44.393 1.00 18.69 C +ATOM 729 CD2 PHE A 96 13.024 18.792 43.598 1.00 17.89 C +ATOM 730 CE1 PHE A 96 15.758 19.107 43.375 1.00 14.34 C +ATOM 731 CE2 PHE A 96 13.587 19.554 42.591 1.00 18.61 C +ATOM 732 CZ PHE A 96 14.945 19.724 42.468 1.00 12.45 C +ATOM 733 N LEU A 97 11.580 19.723 47.110 1.00 14.60 N +ATOM 734 CA LEU A 97 11.073 21.097 46.990 1.00 12.74 C +ATOM 735 C LEU A 97 11.565 22.033 48.073 1.00 11.04 C +ATOM 736 O LEU A 97 11.827 23.217 47.877 1.00 12.54 O +ATOM 737 CB LEU A 97 9.501 21.108 46.974 1.00 13.98 C +ATOM 738 CG LEU A 97 8.590 20.795 45.741 1.00 9.46 C +ATOM 739 CD1 LEU A 97 9.018 21.572 44.557 1.00 7.13 C +ATOM 740 CD2 LEU A 97 8.708 19.388 45.314 1.00 10.31 C +ATOM 741 N ASP A 98 11.762 21.546 49.269 1.00 13.75 N +ATOM 742 CA ASP A 98 12.291 22.398 50.334 1.00 15.61 C +ATOM 743 C ASP A 98 13.695 22.913 50.028 1.00 15.00 C +ATOM 744 O ASP A 98 13.980 24.070 50.361 1.00 14.61 O +ATOM 745 CB ASP A 98 12.269 21.609 51.671 1.00 20.60 C +ATOM 746 CG ASP A 98 10.876 21.297 52.256 1.00 20.16 C +ATOM 747 OD1 ASP A 98 9.984 22.150 52.202 1.00 22.50 O +ATOM 748 OD2 ASP A 98 10.691 20.203 52.786 1.00 19.12 O +ATOM 749 N TYR A 99 14.545 22.130 49.328 1.00 14.10 N +ATOM 750 CA TYR A 99 15.842 22.607 48.925 1.00 16.45 C +ATOM 751 C TYR A 99 15.670 23.678 47.874 1.00 18.14 C +ATOM 752 O TYR A 99 16.332 24.718 47.981 1.00 20.31 O +ATOM 753 CB TYR A 99 16.694 21.518 48.343 1.00 23.10 C +ATOM 754 CG TYR A 99 18.198 21.878 48.329 1.00 34.25 C +ATOM 755 CD1 TYR A 99 18.948 21.596 49.474 1.00 36.82 C +ATOM 756 CD2 TYR A 99 18.844 22.423 47.211 1.00 33.04 C +ATOM 757 CE1 TYR A 99 20.306 21.836 49.517 1.00 35.61 C +ATOM 758 CE2 TYR A 99 20.205 22.663 47.260 1.00 34.60 C +ATOM 759 CZ TYR A 99 20.922 22.368 48.415 1.00 35.28 C +ATOM 760 OH TYR A 99 22.287 22.611 48.491 1.00 32.73 O +ATOM 761 N LEU A 100 14.788 23.471 46.878 1.00 18.97 N +ATOM 762 CA LEU A 100 14.470 24.477 45.858 1.00 19.76 C +ATOM 763 C LEU A 100 13.970 25.815 46.375 1.00 19.58 C +ATOM 764 O LEU A 100 14.398 26.833 45.831 1.00 20.78 O +ATOM 765 CB LEU A 100 13.405 24.000 44.880 1.00 20.19 C +ATOM 766 CG LEU A 100 13.746 23.945 43.421 1.00 19.46 C +ATOM 767 CD1 LEU A 100 12.541 23.381 42.717 1.00 20.22 C +ATOM 768 CD2 LEU A 100 14.069 25.311 42.853 1.00 20.39 C +ATOM 769 N GLN A 101 13.075 25.961 47.349 1.00 21.87 N +ATOM 770 CA GLN A 101 12.710 27.304 47.836 1.00 24.99 C +ATOM 771 C GLN A 101 13.945 27.947 48.480 1.00 26.31 C +ATOM 772 O GLN A 101 14.090 29.173 48.413 1.00 25.57 O +ATOM 773 CB GLN A 101 11.673 27.336 48.952 1.00 29.19 C +ATOM 774 CG GLN A 101 10.372 26.581 48.870 1.00 39.30 C +ATOM 775 CD GLN A 101 9.693 26.500 50.244 1.00 45.70 C +ATOM 776 OE1 GLN A 101 9.226 25.440 50.685 1.00 48.37 O +ATOM 777 NE2 GLN A 101 9.637 27.602 51.008 1.00 47.89 N +ATOM 778 N GLU A 102 14.832 27.192 49.167 1.00 26.23 N +ATOM 779 CA GLU A 102 16.011 27.830 49.748 1.00 28.06 C +ATOM 780 C GLU A 102 16.834 28.373 48.619 1.00 26.50 C +ATOM 781 O GLU A 102 17.214 29.544 48.688 1.00 25.71 O +ATOM 782 CB GLU A 102 16.977 26.929 50.487 1.00 30.63 C +ATOM 783 CG GLU A 102 16.616 26.404 51.854 1.00 33.69 C +ATOM 784 CD GLU A 102 17.472 25.162 52.101 1.00 42.05 C +ATOM 785 OE1 GLU A 102 18.716 25.280 52.137 1.00 43.15 O +ATOM 786 OE2 GLU A 102 16.879 24.076 52.223 1.00 41.02 O +ATOM 787 N PHE A 103 17.078 27.530 47.603 1.00 24.55 N +ATOM 788 CA PHE A 103 17.853 27.906 46.422 1.00 25.05 C +ATOM 789 C PHE A 103 17.361 29.193 45.783 1.00 24.90 C +ATOM 790 O PHE A 103 18.142 30.115 45.539 1.00 25.48 O +ATOM 791 CB PHE A 103 17.787 26.777 45.447 1.00 23.25 C +ATOM 792 CG PHE A 103 18.659 27.040 44.261 1.00 29.12 C +ATOM 793 CD1 PHE A 103 19.981 26.681 44.304 1.00 32.24 C +ATOM 794 CD2 PHE A 103 18.131 27.610 43.118 1.00 34.57 C +ATOM 795 CE1 PHE A 103 20.787 26.890 43.198 1.00 36.42 C +ATOM 796 CE2 PHE A 103 18.939 27.819 42.018 1.00 37.33 C +ATOM 797 CZ PHE A 103 20.273 27.457 42.055 1.00 36.53 C +ATOM 798 N LEU A 104 16.051 29.308 45.573 1.00 26.08 N +ATOM 799 CA LEU A 104 15.463 30.505 44.984 1.00 25.79 C +ATOM 800 C LEU A 104 15.490 31.670 45.947 1.00 24.76 C +ATOM 801 O LEU A 104 15.695 32.800 45.506 1.00 24.95 O +ATOM 802 CB LEU A 104 14.031 30.170 44.510 1.00 25.71 C +ATOM 803 CG LEU A 104 13.933 29.132 43.375 1.00 23.88 C +ATOM 804 CD1 LEU A 104 12.477 28.671 43.222 1.00 25.27 C +ATOM 805 CD2 LEU A 104 14.491 29.744 42.087 1.00 20.51 C +ATOM 806 N GLY A 105 15.388 31.411 47.253 1.00 28.68 N +ATOM 807 CA GLY A 105 15.524 32.432 48.292 1.00 31.81 C +ATOM 808 C GLY A 105 16.924 33.051 48.231 1.00 34.79 C +ATOM 809 O GLY A 105 17.085 34.262 48.073 1.00 33.73 O +ATOM 810 N VAL A 106 17.969 32.217 48.263 1.00 37.06 N +ATOM 811 CA VAL A 106 19.362 32.638 48.192 1.00 37.81 C +ATOM 812 C VAL A 106 19.544 33.504 46.982 1.00 40.44 C +ATOM 813 O VAL A 106 20.156 34.552 47.156 1.00 41.82 O +ATOM 814 CB VAL A 106 20.277 31.386 48.121 1.00 39.79 C +ATOM 815 CG1 VAL A 106 21.436 31.428 47.146 1.00 39.49 C +ATOM 816 CG2 VAL A 106 20.887 31.297 49.479 1.00 40.30 C +ATOM 817 N MET A 107 18.959 33.125 45.821 1.00 41.77 N +ATOM 818 CA MET A 107 19.161 33.842 44.568 1.00 41.16 C +ATOM 819 C MET A 107 18.723 35.278 44.574 1.00 42.99 C +ATOM 820 O MET A 107 19.373 36.186 44.038 1.00 42.08 O +ATOM 821 CB MET A 107 18.443 33.151 43.444 1.00 41.25 C +ATOM 822 CG MET A 107 19.303 32.006 42.975 1.00 39.18 C +ATOM 823 SD MET A 107 18.812 31.361 41.357 1.00 40.78 S +ATOM 824 CE MET A 107 18.797 32.867 40.426 1.00 38.45 C +ATOM 825 N ASN A 108 17.589 35.443 45.230 1.00 45.24 N +ATOM 826 CA ASN A 108 17.009 36.760 45.370 1.00 47.61 C +ATOM 827 C ASN A 108 17.642 37.342 46.621 1.00 47.21 C +ATOM 828 O ASN A 108 18.644 38.052 46.538 1.00 43.24 O +ATOM 829 CB ASN A 108 15.479 36.587 45.487 1.00 50.68 C +ATOM 830 CG ASN A 108 14.608 37.828 45.349 1.00 52.57 C +ATOM 831 OD1 ASN A 108 13.983 38.258 46.315 1.00 51.58 O +ATOM 832 ND2 ASN A 108 14.468 38.417 44.162 1.00 53.74 N +ATOM 833 N THR A 109 17.145 36.897 47.784 1.00 51.37 N +ATOM 834 CA THR A 109 17.493 37.419 49.097 1.00 54.50 C +ATOM 835 C THR A 109 18.860 37.176 49.727 1.00 56.56 C +ATOM 836 O THR A 109 19.016 37.498 50.915 1.00 57.60 O +ATOM 837 CB THR A 109 16.376 36.972 50.098 1.00 53.69 C +ATOM 838 OG1 THR A 109 15.689 35.765 49.716 1.00 51.20 O +ATOM 839 CG2 THR A 109 15.426 38.152 50.191 1.00 53.07 C +ATOM 840 N GLU A 110 19.873 36.685 48.985 1.00 58.49 N +ATOM 841 CA GLU A 110 21.234 36.482 49.502 1.00 58.01 C +ATOM 842 C GLU A 110 22.253 36.240 48.380 1.00 56.19 C +ATOM 843 O GLU A 110 23.250 35.547 48.643 1.00 54.05 O +ATOM 844 CB GLU A 110 21.291 35.265 50.478 1.00 59.18 C +ATOM 845 CG GLU A 110 21.474 35.550 51.987 1.00 58.11 C +ATOM 846 CD GLU A 110 20.207 35.399 52.835 1.00 57.16 C +ATOM 847 OE1 GLU A 110 19.579 34.349 52.739 1.00 55.04 O +ATOM 848 OE2 GLU A 110 19.852 36.315 53.591 1.00 57.60 O +ATOM 849 N TRP A 111 22.090 36.754 47.141 1.00 55.04 N +ATOM 850 CA TRP A 111 23.065 36.331 46.149 1.00 55.00 C +ATOM 851 C TRP A 111 24.357 37.090 46.039 1.00 57.82 C +ATOM 852 O TRP A 111 24.449 38.322 46.144 1.00 58.80 O +ATOM 853 CB TRP A 111 22.526 36.239 44.666 1.00 48.79 C +ATOM 854 CG TRP A 111 22.715 34.777 44.158 1.00 45.19 C +ATOM 855 CD1 TRP A 111 22.679 33.744 45.072 1.00 45.03 C +ATOM 856 CD2 TRP A 111 22.885 34.256 42.882 1.00 39.95 C +ATOM 857 NE1 TRP A 111 22.805 32.613 44.423 1.00 43.97 N +ATOM 858 CE2 TRP A 111 22.925 32.879 43.130 1.00 39.33 C +ATOM 859 CE3 TRP A 111 23.000 34.664 41.582 1.00 36.93 C +ATOM 860 CZ2 TRP A 111 23.067 31.886 42.188 1.00 35.24 C +ATOM 861 CZ3 TRP A 111 23.145 33.689 40.598 1.00 38.95 C +ATOM 862 CH2 TRP A 111 23.177 32.323 40.888 1.00 39.30 C +ATOM 863 N ILE A 112 25.268 36.090 46.050 1.00 60.82 N +ATOM 864 CA ILE A 112 26.707 36.107 45.746 1.00 61.31 C +ATOM 865 C ILE A 112 26.699 35.860 44.222 1.00 62.41 C +ATOM 866 O ILE A 112 27.380 36.581 43.502 1.00 63.97 O +ATOM 867 CB ILE A 112 27.535 34.940 46.509 1.00 59.27 C +ATOM 868 CG1 ILE A 112 28.700 34.392 45.646 1.00 59.94 C +ATOM 869 CG2 ILE A 112 26.652 33.752 46.844 1.00 57.95 C +ATOM 870 CD1 ILE A 112 30.011 35.200 45.669 1.00 55.51 C +ATOM 871 OXT ILE A 112 25.987 34.972 43.745 1.00 62.54 O +TER 872 ILE A 112 +END diff --git a/bench/main_benchmark/structures/SFB_OL_IL5_1HULA_1HULB/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_IL5_1HULA_1HULB/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..e64faf418b3885219e9e0eb398f58076b0edfaa6 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_IL5_1HULA_1HULB/state_b.pdb @@ -0,0 +1,873 @@ +ATOM 1 N ILE B 5 10.635 40.712 32.146 1.00 57.10 N +ATOM 2 CA ILE B 5 10.769 41.763 33.160 1.00 57.07 C +ATOM 3 C ILE B 5 12.080 41.506 33.966 1.00 57.43 C +ATOM 4 O ILE B 5 12.822 40.579 33.581 1.00 57.83 O +ATOM 5 CB ILE B 5 9.466 41.772 34.090 1.00 56.41 C +ATOM 6 CG1 ILE B 5 8.880 40.350 34.307 1.00 56.47 C +ATOM 7 CG2 ILE B 5 8.489 42.803 33.476 1.00 53.94 C +ATOM 8 CD1 ILE B 5 7.895 40.185 35.500 1.00 55.21 C +ATOM 9 N PRO B 6 12.476 42.278 35.001 1.00 55.84 N +ATOM 10 CA PRO B 6 13.472 41.900 35.982 1.00 53.16 C +ATOM 11 C PRO B 6 13.395 40.462 36.391 1.00 53.15 C +ATOM 12 O PRO B 6 12.373 40.011 36.930 1.00 51.90 O +ATOM 13 CB PRO B 6 13.223 42.819 37.129 1.00 52.62 C +ATOM 14 CG PRO B 6 12.974 44.112 36.398 1.00 54.83 C +ATOM 15 CD PRO B 6 12.094 43.676 35.225 1.00 55.80 C +ATOM 16 N THR B 7 14.498 39.774 36.131 1.00 54.05 N +ATOM 17 CA THR B 7 14.685 38.410 36.613 1.00 54.77 C +ATOM 18 C THR B 7 14.533 38.396 38.144 1.00 55.01 C +ATOM 19 O THR B 7 13.905 37.547 38.784 1.00 55.31 O +ATOM 20 CB THR B 7 16.060 37.976 36.152 1.00 54.30 C +ATOM 21 OG1 THR B 7 16.919 39.103 36.365 1.00 56.77 O +ATOM 22 CG2 THR B 7 16.048 37.512 34.697 1.00 51.53 C +ATOM 23 N SER B 8 15.030 39.468 38.723 1.00 54.94 N +ATOM 24 CA SER B 8 14.887 39.764 40.125 1.00 55.89 C +ATOM 25 C SER B 8 13.432 39.571 40.589 1.00 54.85 C +ATOM 26 O SER B 8 13.144 38.836 41.554 1.00 55.60 O +ATOM 27 CB SER B 8 15.386 41.208 40.282 1.00 59.40 C +ATOM 28 OG SER B 8 16.207 41.648 39.167 1.00 61.76 O +ATOM 29 N ALA B 9 12.502 40.149 39.804 1.00 53.68 N +ATOM 30 CA ALA B 9 11.058 40.133 40.088 1.00 50.43 C +ATOM 31 C ALA B 9 10.477 38.740 39.827 1.00 49.11 C +ATOM 32 O ALA B 9 9.612 38.213 40.565 1.00 49.29 O +ATOM 33 CB ALA B 9 10.336 41.135 39.189 1.00 49.14 C +ATOM 34 N LEU B 10 11.045 38.124 38.781 1.00 44.19 N +ATOM 35 CA LEU B 10 10.617 36.807 38.412 1.00 41.91 C +ATOM 36 C LEU B 10 10.982 35.790 39.496 1.00 41.95 C +ATOM 37 O LEU B 10 10.208 34.835 39.670 1.00 41.76 O +ATOM 38 CB LEU B 10 11.240 36.433 37.071 1.00 38.01 C +ATOM 39 CG LEU B 10 10.654 35.141 36.517 1.00 40.41 C +ATOM 40 CD1 LEU B 10 10.362 35.235 35.032 1.00 40.57 C +ATOM 41 CD2 LEU B 10 11.643 34.035 36.778 1.00 42.06 C +ATOM 42 N VAL B 11 12.109 35.894 40.236 1.00 40.47 N +ATOM 43 CA VAL B 11 12.438 34.935 41.303 1.00 36.54 C +ATOM 44 C VAL B 11 11.278 34.998 42.296 1.00 36.68 C +ATOM 45 O VAL B 11 10.598 34.013 42.549 1.00 35.62 O +ATOM 46 CB VAL B 11 13.803 35.297 42.051 1.00 33.72 C +ATOM 47 CG1 VAL B 11 14.024 34.360 43.236 1.00 27.57 C +ATOM 48 CG2 VAL B 11 14.998 35.089 41.148 1.00 28.61 C +ATOM 49 N LYS B 12 10.993 36.221 42.736 1.00 39.99 N +ATOM 50 CA LYS B 12 10.005 36.570 43.752 1.00 42.01 C +ATOM 51 C LYS B 12 8.649 36.003 43.400 1.00 43.76 C +ATOM 52 O LYS B 12 7.874 35.641 44.290 1.00 45.14 O +ATOM 53 CB LYS B 12 9.950 38.091 43.839 1.00 43.64 C +ATOM 54 CG LYS B 12 9.125 38.696 44.957 1.00 44.66 C +ATOM 55 CD LYS B 12 9.724 38.468 46.364 1.00 45.37 C +ATOM 56 CE LYS B 12 10.902 39.344 46.821 1.00 44.63 C +ATOM 57 NZ LYS B 12 10.628 40.772 46.835 1.00 42.56 N +ATOM 58 N GLU B 13 8.375 35.942 42.088 1.00 43.91 N +ATOM 59 CA GLU B 13 7.156 35.321 41.603 1.00 42.56 C +ATOM 60 C GLU B 13 7.274 33.805 41.599 1.00 40.85 C +ATOM 61 O GLU B 13 6.368 33.184 42.166 1.00 43.11 O +ATOM 62 CB GLU B 13 6.830 35.762 40.186 1.00 44.87 C +ATOM 63 CG GLU B 13 5.472 35.260 39.678 1.00 44.89 C +ATOM 64 CD GLU B 13 5.520 35.153 38.165 1.00 47.75 C +ATOM 65 OE1 GLU B 13 5.497 36.176 37.480 1.00 47.82 O +ATOM 66 OE2 GLU B 13 5.608 34.036 37.673 1.00 47.17 O +ATOM 67 N THR B 14 8.320 33.191 40.980 1.00 35.14 N +ATOM 68 CA THR B 14 8.555 31.746 40.919 1.00 25.90 C +ATOM 69 C THR B 14 8.470 31.187 42.330 1.00 25.23 C +ATOM 70 O THR B 14 7.998 30.073 42.520 1.00 27.77 O +ATOM 71 CB THR B 14 9.953 31.417 40.345 1.00 21.45 C +ATOM 72 OG1 THR B 14 10.153 32.183 39.151 1.00 14.47 O +ATOM 73 CG2 THR B 14 10.094 29.924 40.097 1.00 13.22 C +ATOM 74 N LEU B 15 8.889 31.885 43.367 1.00 24.92 N +ATOM 75 CA LEU B 15 8.669 31.411 44.706 1.00 26.37 C +ATOM 76 C LEU B 15 7.149 31.262 44.976 1.00 25.44 C +ATOM 77 O LEU B 15 6.699 30.196 45.398 1.00 24.33 O +ATOM 78 CB LEU B 15 9.323 32.415 45.615 1.00 28.53 C +ATOM 79 CG LEU B 15 10.782 32.309 46.007 1.00 29.69 C +ATOM 80 CD1 LEU B 15 11.210 33.623 46.666 1.00 27.89 C +ATOM 81 CD2 LEU B 15 10.974 31.131 46.961 1.00 28.52 C +ATOM 82 N ALA B 16 6.270 32.226 44.669 1.00 26.10 N +ATOM 83 CA ALA B 16 4.815 32.118 44.867 1.00 27.52 C +ATOM 84 C ALA B 16 4.095 30.936 44.179 1.00 27.74 C +ATOM 85 O ALA B 16 3.175 30.315 44.736 1.00 29.10 O +ATOM 86 CB ALA B 16 4.177 33.398 44.388 1.00 27.74 C +ATOM 87 N LEU B 17 4.547 30.597 42.967 1.00 25.21 N +ATOM 88 CA LEU B 17 4.065 29.501 42.149 1.00 22.56 C +ATOM 89 C LEU B 17 4.412 28.124 42.654 1.00 22.87 C +ATOM 90 O LEU B 17 3.708 27.131 42.452 1.00 23.57 O +ATOM 91 CB LEU B 17 4.636 29.628 40.775 1.00 24.10 C +ATOM 92 CG LEU B 17 4.083 30.684 39.875 1.00 26.27 C +ATOM 93 CD1 LEU B 17 5.109 31.191 38.898 1.00 22.85 C +ATOM 94 CD2 LEU B 17 2.905 30.044 39.172 1.00 27.33 C +ATOM 95 N LEU B 18 5.574 27.988 43.233 1.00 24.25 N +ATOM 96 CA LEU B 18 6.041 26.723 43.806 1.00 25.93 C +ATOM 97 C LEU B 18 5.015 26.344 44.889 1.00 26.31 C +ATOM 98 O LEU B 18 4.424 25.254 44.946 1.00 27.05 O +ATOM 99 CB LEU B 18 7.471 27.047 44.338 1.00 27.07 C +ATOM 100 CG LEU B 18 8.699 26.155 44.490 1.00 28.54 C +ATOM 101 CD1 LEU B 18 8.538 25.225 45.672 1.00 31.79 C +ATOM 102 CD2 LEU B 18 8.916 25.388 43.212 1.00 29.02 C +ATOM 103 N SER B 19 4.774 27.388 45.670 1.00 25.53 N +ATOM 104 CA SER B 19 3.865 27.391 46.760 1.00 28.73 C +ATOM 105 C SER B 19 2.432 27.063 46.333 1.00 31.91 C +ATOM 106 O SER B 19 1.858 26.153 46.945 1.00 37.11 O +ATOM 107 CB SER B 19 3.986 28.748 47.381 1.00 30.34 C +ATOM 108 OG SER B 19 5.367 29.057 47.552 1.00 39.13 O +ATOM 109 N THR B 20 1.773 27.649 45.327 1.00 28.27 N +ATOM 110 CA THR B 20 0.443 27.224 44.993 1.00 26.21 C +ATOM 111 C THR B 20 0.385 25.897 44.233 1.00 26.83 C +ATOM 112 O THR B 20 -0.702 25.538 43.788 1.00 29.60 O +ATOM 113 CB THR B 20 -0.157 28.385 44.222 1.00 28.00 C +ATOM 114 OG1 THR B 20 0.694 28.666 43.132 1.00 33.94 O +ATOM 115 CG2 THR B 20 -0.137 29.684 44.994 1.00 30.94 C +ATOM 116 N HIS B 21 1.428 25.077 43.980 1.00 25.99 N +ATOM 117 CA HIS B 21 1.310 23.825 43.203 1.00 23.61 C +ATOM 118 C HIS B 21 1.948 22.646 43.912 1.00 25.19 C +ATOM 119 O HIS B 21 2.079 21.546 43.333 1.00 24.39 O +ATOM 120 CB HIS B 21 1.988 23.884 41.805 1.00 24.15 C +ATOM 121 CG HIS B 21 1.357 24.926 40.900 1.00 27.41 C +ATOM 122 ND1 HIS B 21 1.608 26.229 40.852 1.00 30.82 N +ATOM 123 CD2 HIS B 21 0.325 24.703 40.025 1.00 26.35 C +ATOM 124 CE1 HIS B 21 0.789 26.808 40.010 1.00 28.34 C +ATOM 125 NE2 HIS B 21 0.018 25.866 39.522 1.00 26.68 N +ATOM 126 N ARG B 22 2.312 22.779 45.200 1.00 27.46 N +ATOM 127 CA ARG B 22 2.890 21.662 45.974 1.00 26.18 C +ATOM 128 C ARG B 22 2.062 20.401 46.096 1.00 24.34 C +ATOM 129 O ARG B 22 2.680 19.336 46.063 1.00 23.60 O +ATOM 130 CB ARG B 22 3.248 22.037 47.415 1.00 26.16 C +ATOM 131 CG ARG B 22 4.403 22.998 47.526 1.00 32.23 C +ATOM 132 CD ARG B 22 4.723 23.219 49.000 1.00 39.22 C +ATOM 133 NE ARG B 22 5.259 22.033 49.675 1.00 40.64 N +ATOM 134 CZ ARG B 22 6.576 21.891 49.880 1.00 37.93 C +ATOM 135 NH1 ARG B 22 7.455 22.830 49.493 1.00 35.04 N +ATOM 136 NH2 ARG B 22 6.997 20.738 50.389 1.00 34.98 N +ATOM 137 N THR B 23 0.721 20.389 46.213 1.00 24.27 N +ATOM 138 CA THR B 23 -0.072 19.139 46.334 1.00 20.47 C +ATOM 139 C THR B 23 -0.021 18.308 45.085 1.00 15.11 C +ATOM 140 O THR B 23 0.116 17.086 45.085 1.00 15.86 O +ATOM 141 CB THR B 23 -1.560 19.427 46.630 1.00 20.25 C +ATOM 142 OG1 THR B 23 -1.669 20.743 47.204 1.00 23.36 O +ATOM 143 CG2 THR B 23 -2.128 18.326 47.510 1.00 20.68 C +ATOM 144 N LEU B 24 -0.137 19.042 44.001 1.00 14.60 N +ATOM 145 CA LEU B 24 0.012 18.436 42.695 1.00 16.97 C +ATOM 146 C LEU B 24 1.420 17.813 42.659 1.00 18.35 C +ATOM 147 O LEU B 24 1.521 16.589 42.513 1.00 17.69 O +ATOM 148 CB LEU B 24 -0.161 19.539 41.630 1.00 17.37 C +ATOM 149 CG LEU B 24 -0.383 19.271 40.134 1.00 21.98 C +ATOM 150 CD1 LEU B 24 0.731 19.978 39.389 1.00 25.29 C +ATOM 151 CD2 LEU B 24 -0.339 17.787 39.767 1.00 21.88 C +ATOM 152 N LEU B 25 2.471 18.613 42.943 1.00 16.83 N +ATOM 153 CA LEU B 25 3.832 18.135 42.806 1.00 16.21 C +ATOM 154 C LEU B 25 4.163 17.010 43.751 1.00 18.50 C +ATOM 155 O LEU B 25 4.812 16.049 43.319 1.00 19.25 O +ATOM 156 CB LEU B 25 4.803 19.287 43.025 1.00 12.60 C +ATOM 157 CG LEU B 25 4.763 20.423 42.011 1.00 8.72 C +ATOM 158 CD1 LEU B 25 5.539 21.642 42.485 1.00 8.22 C +ATOM 159 CD2 LEU B 25 5.274 19.876 40.722 1.00 7.84 C +ATOM 160 N ILE B 26 3.643 17.037 44.995 1.00 20.62 N +ATOM 161 CA ILE B 26 4.045 16.061 46.008 1.00 22.66 C +ATOM 162 C ILE B 26 3.252 14.781 45.940 1.00 24.84 C +ATOM 163 O ILE B 26 3.627 13.770 46.554 1.00 27.30 O +ATOM 164 CB ILE B 26 3.918 16.598 47.464 1.00 22.14 C +ATOM 165 CG1 ILE B 26 2.457 16.832 47.887 1.00 21.23 C +ATOM 166 CG2 ILE B 26 4.821 17.838 47.532 1.00 20.91 C +ATOM 167 CD1 ILE B 26 2.191 17.647 49.174 1.00 16.97 C +ATOM 168 N ALA B 27 2.168 14.807 45.149 1.00 25.38 N +ATOM 169 CA ALA B 27 1.296 13.661 44.963 1.00 22.10 C +ATOM 170 C ALA B 27 2.056 12.423 44.501 1.00 22.08 C +ATOM 171 O ALA B 27 1.592 11.298 44.687 1.00 22.34 O +ATOM 172 CB ALA B 27 0.233 14.060 43.934 1.00 21.88 C +ATOM 173 N ASN B 28 3.239 12.564 43.907 1.00 23.14 N +ATOM 174 CA ASN B 28 3.960 11.407 43.423 1.00 25.02 C +ATOM 175 C ASN B 28 4.843 10.880 44.562 1.00 26.81 C +ATOM 176 O ASN B 28 5.949 11.365 44.798 1.00 26.04 O +ATOM 177 CB ASN B 28 4.814 11.796 42.213 1.00 25.33 C +ATOM 178 CG ASN B 28 5.219 10.498 41.518 1.00 28.86 C +ATOM 179 OD1 ASN B 28 5.671 9.516 42.145 1.00 28.58 O +ATOM 180 ND2 ASN B 28 5.012 10.407 40.208 1.00 27.25 N +ATOM 181 N GLU B 29 4.368 9.859 45.259 1.00 25.00 N +ATOM 182 CA GLU B 29 5.054 9.333 46.412 1.00 26.09 C +ATOM 183 C GLU B 29 6.161 8.377 46.076 1.00 26.02 C +ATOM 184 O GLU B 29 6.782 7.876 47.010 1.00 26.27 O +ATOM 185 CB GLU B 29 4.100 8.584 47.358 1.00 25.13 C +ATOM 186 CG GLU B 29 3.138 9.444 48.142 1.00 25.71 C +ATOM 187 CD GLU B 29 3.678 10.297 49.292 1.00 28.90 C +ATOM 188 OE1 GLU B 29 4.596 9.837 49.970 1.00 29.63 O +ATOM 189 OE2 GLU B 29 3.156 11.400 49.529 1.00 27.65 O +ATOM 190 N THR B 30 6.378 8.037 44.808 1.00 28.29 N +ATOM 191 CA THR B 30 7.470 7.128 44.454 1.00 29.10 C +ATOM 192 C THR B 30 8.764 7.790 43.977 1.00 26.26 C +ATOM 193 O THR B 30 9.848 7.293 44.277 1.00 26.07 O +ATOM 194 CB THR B 30 6.926 6.158 43.419 1.00 31.32 C +ATOM 195 OG1 THR B 30 6.115 5.342 44.251 1.00 32.88 O +ATOM 196 CG2 THR B 30 7.925 5.275 42.653 1.00 35.88 C +ATOM 197 N LEU B 31 8.713 8.911 43.271 1.00 23.99 N +ATOM 198 CA LEU B 31 9.907 9.607 42.897 1.00 25.52 C +ATOM 199 C LEU B 31 10.815 9.872 44.088 1.00 24.62 C +ATOM 200 O LEU B 31 10.332 10.238 45.156 1.00 23.45 O +ATOM 201 CB LEU B 31 9.592 10.936 42.277 1.00 25.60 C +ATOM 202 CG LEU B 31 9.024 11.014 40.861 1.00 29.70 C +ATOM 203 CD1 LEU B 31 9.487 12.343 40.263 1.00 29.05 C +ATOM 204 CD2 LEU B 31 9.497 9.875 39.997 1.00 30.58 C +ATOM 205 N ARG B 32 12.090 9.572 43.861 1.00 23.48 N +ATOM 206 CA ARG B 32 13.195 9.843 44.754 1.00 23.59 C +ATOM 207 C ARG B 32 14.138 10.695 43.942 1.00 21.06 C +ATOM 208 O ARG B 32 14.684 10.302 42.928 1.00 22.33 O +ATOM 209 CB ARG B 32 13.860 8.571 45.148 1.00 27.06 C +ATOM 210 CG ARG B 32 13.003 7.747 46.136 1.00 35.25 C +ATOM 211 CD ARG B 32 13.093 8.158 47.622 1.00 40.85 C +ATOM 212 NE ARG B 32 12.806 6.985 48.461 1.00 49.02 N +ATOM 213 CZ ARG B 32 13.361 6.760 49.679 1.00 51.65 C +ATOM 214 NH1 ARG B 32 14.228 7.631 50.265 1.00 49.77 N +ATOM 215 NH2 ARG B 32 13.149 5.555 50.256 1.00 48.89 N +ATOM 216 N ILE B 33 14.258 11.932 44.333 1.00 21.60 N +ATOM 217 CA ILE B 33 15.067 12.911 43.667 1.00 22.33 C +ATOM 218 C ILE B 33 16.342 13.262 44.510 1.00 25.00 C +ATOM 219 O ILE B 33 16.329 13.260 45.769 1.00 24.01 O +ATOM 220 CB ILE B 33 14.110 14.099 43.425 1.00 21.40 C +ATOM 221 CG1 ILE B 33 13.048 13.677 42.433 1.00 22.25 C +ATOM 222 CG2 ILE B 33 14.855 15.294 42.869 1.00 23.60 C +ATOM 223 CD1 ILE B 33 12.273 14.864 41.811 1.00 22.07 C +ATOM 224 N PRO B 34 17.504 13.458 43.810 1.00 25.63 N +ATOM 225 CA PRO B 34 18.758 14.036 44.302 1.00 22.08 C +ATOM 226 C PRO B 34 18.764 15.261 45.183 1.00 19.61 C +ATOM 227 O PRO B 34 18.634 16.360 44.638 1.00 21.10 O +ATOM 228 CB PRO B 34 19.510 14.202 42.987 1.00 23.56 C +ATOM 229 CG PRO B 34 19.373 12.776 42.500 1.00 18.84 C +ATOM 230 CD PRO B 34 17.852 12.730 42.565 1.00 23.49 C +ATOM 231 N VAL B 35 18.908 15.166 46.511 1.00 16.96 N +ATOM 232 CA VAL B 35 18.951 16.405 47.299 1.00 17.90 C +ATOM 233 C VAL B 35 20.335 16.509 47.965 1.00 18.30 C +ATOM 234 O VAL B 35 20.884 15.515 48.437 1.00 14.92 O +ATOM 235 CB VAL B 35 17.828 16.455 48.403 1.00 11.99 C +ATOM 236 CG1 VAL B 35 17.749 17.767 49.121 1.00 5.30 C +ATOM 237 CG2 VAL B 35 16.511 16.305 47.718 1.00 15.71 C +ATOM 238 N PRO B 36 20.952 17.696 47.925 1.00 19.81 N +ATOM 239 CA PRO B 36 22.264 17.977 48.472 1.00 22.11 C +ATOM 240 C PRO B 36 22.363 17.978 49.980 1.00 22.09 C +ATOM 241 O PRO B 36 21.673 18.743 50.648 1.00 24.00 O +ATOM 242 CB PRO B 36 22.650 19.337 47.910 1.00 22.99 C +ATOM 243 CG PRO B 36 21.803 19.481 46.682 1.00 23.65 C +ATOM 244 CD PRO B 36 20.526 18.839 47.111 1.00 19.26 C +ATOM 245 N VAL B 37 23.294 17.234 50.553 1.00 20.27 N +ATOM 246 CA VAL B 37 23.459 17.310 51.988 1.00 20.89 C +ATOM 247 C VAL B 37 24.000 18.671 52.506 1.00 21.41 C +ATOM 248 O VAL B 37 24.047 18.865 53.722 1.00 21.91 O +ATOM 249 CB VAL B 37 24.347 16.137 52.390 1.00 21.25 C +ATOM 250 CG1 VAL B 37 24.460 16.059 53.902 1.00 21.50 C +ATOM 251 CG2 VAL B 37 23.692 14.826 51.947 1.00 21.06 C +ATOM 252 N HIS B 38 24.276 19.730 51.719 1.00 18.35 N +ATOM 253 CA HIS B 38 24.920 20.931 52.248 1.00 15.44 C +ATOM 254 C HIS B 38 24.298 22.142 51.687 1.00 16.86 C +ATOM 255 O HIS B 38 23.723 22.028 50.623 1.00 19.32 O +ATOM 256 CB HIS B 38 26.381 21.081 51.884 1.00 15.08 C +ATOM 257 CG HIS B 38 26.696 21.055 50.381 1.00 8.71 C +ATOM 258 ND1 HIS B 38 26.662 22.054 49.489 1.00 6.85 N +ATOM 259 CD2 HIS B 38 27.152 19.913 49.765 1.00 2.84 C +ATOM 260 CE1 HIS B 38 27.099 21.537 48.355 1.00 7.63 C +ATOM 261 NE2 HIS B 38 27.390 20.259 48.535 1.00 6.89 N +ATOM 262 N LYS B 39 24.653 23.283 52.268 1.00 18.54 N +ATOM 263 CA LYS B 39 24.016 24.517 51.937 1.00 18.61 C +ATOM 264 C LYS B 39 24.756 25.429 51.024 1.00 19.98 C +ATOM 265 O LYS B 39 24.264 26.544 50.781 1.00 18.92 O +ATOM 266 CB LYS B 39 23.703 25.258 53.204 1.00 26.18 C +ATOM 267 CG LYS B 39 22.569 24.598 54.022 1.00 32.71 C +ATOM 268 CD LYS B 39 21.826 25.545 54.976 1.00 36.21 C +ATOM 269 CE LYS B 39 22.740 26.251 55.984 1.00 39.97 C +ATOM 270 NZ LYS B 39 22.735 27.698 55.737 1.00 41.01 N +ATOM 271 N ASN B 40 25.899 25.008 50.457 1.00 22.07 N +ATOM 272 CA ASN B 40 26.577 25.895 49.475 1.00 26.17 C +ATOM 273 C ASN B 40 25.935 25.470 48.187 1.00 26.91 C +ATOM 274 O ASN B 40 26.305 24.469 47.565 1.00 27.22 O +ATOM 275 CB ASN B 40 28.115 25.695 49.343 1.00 26.44 C +ATOM 276 CG ASN B 40 28.814 25.828 50.706 1.00 28.28 C +ATOM 277 OD1 ASN B 40 28.717 26.818 51.467 1.00 25.87 O +ATOM 278 ND2 ASN B 40 29.479 24.726 51.069 1.00 22.28 N +ATOM 279 N HIS B 41 24.843 26.221 47.996 1.00 27.61 N +ATOM 280 CA HIS B 41 23.868 25.947 46.965 1.00 26.15 C +ATOM 281 C HIS B 41 24.462 26.104 45.602 1.00 25.10 C +ATOM 282 O HIS B 41 24.358 25.144 44.852 1.00 28.95 O +ATOM 283 CB HIS B 41 22.614 26.887 47.043 1.00 30.13 C +ATOM 284 CG HIS B 41 21.799 26.846 48.331 1.00 25.52 C +ATOM 285 ND1 HIS B 41 21.455 27.888 49.070 1.00 26.07 N +ATOM 286 CD2 HIS B 41 21.447 25.704 48.997 1.00 24.60 C +ATOM 287 CE1 HIS B 41 20.938 27.413 50.179 1.00 27.24 C +ATOM 288 NE2 HIS B 41 20.940 26.103 50.124 1.00 26.35 N +ATOM 289 N GLN B 42 25.121 27.217 45.278 1.00 22.09 N +ATOM 290 CA GLN B 42 25.705 27.437 43.965 1.00 19.17 C +ATOM 291 C GLN B 42 26.580 26.354 43.361 1.00 19.08 C +ATOM 292 O GLN B 42 26.849 26.418 42.160 1.00 22.34 O +ATOM 293 CB GLN B 42 26.507 28.693 43.987 1.00 21.45 C +ATOM 294 CG GLN B 42 25.814 29.958 43.465 1.00 28.86 C +ATOM 295 CD GLN B 42 26.675 31.246 43.455 1.00 33.30 C +ATOM 296 OE1 GLN B 42 27.843 31.263 43.055 1.00 37.12 O +ATOM 297 NE2 GLN B 42 26.198 32.394 43.889 1.00 33.41 N +ATOM 298 N LEU B 43 27.007 25.324 44.101 1.00 17.88 N +ATOM 299 CA LEU B 43 27.822 24.232 43.553 1.00 16.61 C +ATOM 300 C LEU B 43 26.923 23.116 43.023 1.00 18.67 C +ATOM 301 O LEU B 43 27.354 22.229 42.273 1.00 20.13 O +ATOM 302 CB LEU B 43 28.731 23.560 44.606 1.00 8.84 C +ATOM 303 CG LEU B 43 29.619 24.379 45.495 1.00 9.22 C +ATOM 304 CD1 LEU B 43 30.264 23.375 46.385 1.00 5.60 C +ATOM 305 CD2 LEU B 43 30.644 25.238 44.733 1.00 7.13 C +ATOM 306 N CYS B 44 25.679 23.039 43.501 1.00 18.83 N +ATOM 307 CA CYS B 44 24.823 21.972 43.030 1.00 20.06 C +ATOM 308 C CYS B 44 23.789 22.405 41.982 1.00 17.69 C +ATOM 309 O CYS B 44 22.901 21.614 41.729 1.00 16.20 O +ATOM 310 CB CYS B 44 24.170 21.378 44.240 1.00 21.76 C +ATOM 311 SG CYS B 44 25.357 21.055 45.568 1.00 21.52 S +ATOM 312 N THR B 45 23.916 23.515 41.229 1.00 17.45 N +ATOM 313 CA THR B 45 22.928 23.989 40.286 1.00 19.09 C +ATOM 314 C THR B 45 22.576 22.955 39.271 1.00 19.02 C +ATOM 315 O THR B 45 21.448 22.981 38.789 1.00 23.38 O +ATOM 316 CB THR B 45 23.279 25.223 39.398 1.00 17.63 C +ATOM 317 OG1 THR B 45 24.267 24.703 38.559 1.00 19.81 O +ATOM 318 CG2 THR B 45 23.722 26.506 40.091 1.00 15.26 C +ATOM 319 N GLU B 46 23.406 22.041 38.893 1.00 18.09 N +ATOM 320 CA GLU B 46 22.833 21.166 37.957 1.00 24.46 C +ATOM 321 C GLU B 46 22.489 19.779 38.403 1.00 25.24 C +ATOM 322 O GLU B 46 22.039 18.989 37.583 1.00 29.31 O +ATOM 323 CB GLU B 46 23.755 21.303 36.757 1.00 37.34 C +ATOM 324 CG GLU B 46 23.708 22.759 36.027 1.00 45.12 C +ATOM 325 CD GLU B 46 22.548 23.186 35.075 1.00 45.98 C +ATOM 326 OE1 GLU B 46 22.120 22.366 34.246 1.00 49.14 O +ATOM 327 OE2 GLU B 46 22.089 24.341 35.150 1.00 43.89 O +ATOM 328 N GLU B 47 22.634 19.375 39.667 1.00 27.00 N +ATOM 329 CA GLU B 47 21.886 18.185 40.159 1.00 25.84 C +ATOM 330 C GLU B 47 20.447 18.722 40.502 1.00 25.83 C +ATOM 331 O GLU B 47 19.409 18.027 40.399 1.00 24.08 O +ATOM 332 CB GLU B 47 22.469 17.550 41.454 1.00 27.03 C +ATOM 333 CG GLU B 47 23.792 16.723 41.382 1.00 28.59 C +ATOM 334 CD GLU B 47 25.064 17.469 40.946 1.00 28.90 C +ATOM 335 OE1 GLU B 47 25.218 18.655 41.257 1.00 26.29 O +ATOM 336 OE2 GLU B 47 25.914 16.864 40.275 1.00 33.80 O +ATOM 337 N ILE B 48 20.386 20.024 40.893 1.00 22.46 N +ATOM 338 CA ILE B 48 19.151 20.749 41.090 1.00 20.30 C +ATOM 339 C ILE B 48 18.465 20.741 39.740 1.00 22.99 C +ATOM 340 O ILE B 48 17.446 20.045 39.642 1.00 24.12 O +ATOM 341 CB ILE B 48 19.502 22.137 41.568 1.00 19.44 C +ATOM 342 CG1 ILE B 48 19.791 21.982 43.045 1.00 20.75 C +ATOM 343 CG2 ILE B 48 18.410 23.154 41.380 1.00 18.15 C +ATOM 344 CD1 ILE B 48 20.499 23.267 43.590 1.00 22.04 C +ATOM 345 N PHE B 49 18.989 21.324 38.646 1.00 22.17 N +ATOM 346 CA PHE B 49 18.231 21.299 37.410 1.00 17.90 C +ATOM 347 C PHE B 49 17.983 19.929 36.774 1.00 17.63 C +ATOM 348 O PHE B 49 16.998 19.840 36.050 1.00 17.00 O +ATOM 349 CB PHE B 49 18.907 22.328 36.494 1.00 17.72 C +ATOM 350 CG PHE B 49 18.609 23.758 36.962 1.00 14.84 C +ATOM 351 CD1 PHE B 49 17.388 24.335 36.712 1.00 17.88 C +ATOM 352 CD2 PHE B 49 19.505 24.461 37.703 1.00 16.25 C +ATOM 353 CE1 PHE B 49 17.088 25.587 37.214 1.00 19.75 C +ATOM 354 CE2 PHE B 49 19.221 25.700 38.211 1.00 19.96 C +ATOM 355 CZ PHE B 49 18.006 26.277 37.976 1.00 20.83 C +ATOM 356 N GLN B 50 18.640 18.779 37.007 1.00 20.85 N +ATOM 357 CA GLN B 50 18.074 17.508 36.480 1.00 24.43 C +ATOM 358 C GLN B 50 16.940 16.970 37.385 1.00 23.59 C +ATOM 359 O GLN B 50 16.292 15.938 37.145 1.00 23.33 O +ATOM 360 CB GLN B 50 19.089 16.336 36.380 1.00 30.32 C +ATOM 361 CG GLN B 50 18.951 15.404 35.087 1.00 39.74 C +ATOM 362 CD GLN B 50 17.564 14.982 34.494 1.00 44.42 C +ATOM 363 OE1 GLN B 50 16.696 15.793 34.126 1.00 44.77 O +ATOM 364 NE2 GLN B 50 17.279 13.694 34.278 1.00 45.73 N +ATOM 365 N GLY B 51 16.803 17.592 38.554 1.00 21.48 N +ATOM 366 CA GLY B 51 15.779 17.271 39.495 1.00 17.23 C +ATOM 367 C GLY B 51 14.533 17.943 38.980 1.00 17.06 C +ATOM 368 O GLY B 51 13.542 17.248 38.849 1.00 16.57 O +ATOM 369 N ILE B 52 14.503 19.252 38.688 1.00 16.40 N +ATOM 370 CA ILE B 52 13.355 19.873 38.075 1.00 17.10 C +ATOM 371 C ILE B 52 12.992 19.087 36.817 1.00 20.60 C +ATOM 372 O ILE B 52 11.796 18.928 36.589 1.00 26.74 O +ATOM 373 CB ILE B 52 13.688 21.296 37.757 1.00 15.08 C +ATOM 374 CG1 ILE B 52 13.751 22.025 39.062 1.00 9.86 C +ATOM 375 CG2 ILE B 52 12.633 21.960 36.864 1.00 14.94 C +ATOM 376 CD1 ILE B 52 14.488 23.386 38.902 1.00 9.92 C +ATOM 377 N GLY B 53 13.888 18.435 36.057 1.00 21.35 N +ATOM 378 CA GLY B 53 13.547 17.622 34.880 1.00 18.55 C +ATOM 379 C GLY B 53 12.723 16.348 35.105 1.00 19.74 C +ATOM 380 O GLY B 53 11.775 16.027 34.385 1.00 19.09 O +ATOM 381 N THR B 54 13.114 15.527 36.063 1.00 19.79 N +ATOM 382 CA THR B 54 12.396 14.327 36.460 1.00 19.46 C +ATOM 383 C THR B 54 11.061 14.744 37.026 1.00 16.59 C +ATOM 384 O THR B 54 10.150 13.963 36.920 1.00 19.39 O +ATOM 385 CB THR B 54 13.133 13.544 37.558 1.00 23.42 C +ATOM 386 OG1 THR B 54 14.506 13.478 37.181 1.00 28.21 O +ATOM 387 CG2 THR B 54 12.587 12.141 37.724 1.00 23.20 C +ATOM 388 N LEU B 55 10.899 15.934 37.592 1.00 13.09 N +ATOM 389 CA LEU B 55 9.652 16.381 38.135 1.00 17.03 C +ATOM 390 C LEU B 55 8.778 16.567 36.943 1.00 18.69 C +ATOM 391 O LEU B 55 7.797 15.862 36.774 1.00 20.28 O +ATOM 392 CB LEU B 55 9.735 17.732 38.840 1.00 14.20 C +ATOM 393 CG LEU B 55 9.393 17.788 40.304 1.00 17.29 C +ATOM 394 CD1 LEU B 55 9.165 19.214 40.746 1.00 12.98 C +ATOM 395 CD2 LEU B 55 8.199 16.878 40.525 1.00 11.98 C +ATOM 396 N GLU B 56 9.266 17.452 36.090 1.00 24.05 N +ATOM 397 CA GLU B 56 8.595 17.904 34.902 1.00 30.56 C +ATOM 398 C GLU B 56 8.128 16.754 34.031 1.00 29.71 C +ATOM 399 O GLU B 56 7.032 16.844 33.491 1.00 31.46 O +ATOM 400 CB GLU B 56 9.531 18.802 34.119 1.00 35.52 C +ATOM 401 CG GLU B 56 8.703 19.755 33.263 1.00 48.32 C +ATOM 402 CD GLU B 56 9.462 20.594 32.218 1.00 54.53 C +ATOM 403 OE1 GLU B 56 10.573 21.054 32.529 1.00 58.64 O +ATOM 404 OE2 GLU B 56 8.938 20.809 31.103 1.00 57.46 O +ATOM 405 N SER B 57 8.865 15.653 33.912 1.00 28.14 N +ATOM 406 CA SER B 57 8.423 14.542 33.109 1.00 26.70 C +ATOM 407 C SER B 57 7.302 13.756 33.788 1.00 29.92 C +ATOM 408 O SER B 57 6.459 13.159 33.105 1.00 27.76 O +ATOM 409 CB SER B 57 9.621 13.622 32.830 1.00 22.86 C +ATOM 410 OG SER B 57 9.960 12.668 33.845 1.00 24.44 O +ATOM 411 N GLN B 58 7.330 13.651 35.135 1.00 32.57 N +ATOM 412 CA GLN B 58 6.305 12.886 35.822 1.00 36.71 C +ATOM 413 C GLN B 58 5.035 13.639 36.098 1.00 35.42 C +ATOM 414 O GLN B 58 4.029 13.013 36.414 1.00 36.47 O +ATOM 415 CB GLN B 58 6.815 12.326 37.151 1.00 39.83 C +ATOM 416 CG GLN B 58 7.868 11.242 36.934 1.00 45.35 C +ATOM 417 CD GLN B 58 7.596 10.291 35.766 1.00 49.58 C +ATOM 418 OE1 GLN B 58 6.808 9.336 35.854 1.00 49.94 O +ATOM 419 NE2 GLN B 58 8.244 10.537 34.626 1.00 51.84 N +ATOM 420 N THR B 59 5.070 14.945 35.941 1.00 35.45 N +ATOM 421 CA THR B 59 3.944 15.831 36.182 1.00 38.34 C +ATOM 422 C THR B 59 2.902 15.965 35.068 1.00 42.95 C +ATOM 423 O THR B 59 3.255 16.234 33.905 1.00 43.67 O +ATOM 424 CB THR B 59 4.508 17.217 36.478 1.00 36.10 C +ATOM 425 OG1 THR B 59 5.416 17.047 37.565 1.00 34.08 O +ATOM 426 CG2 THR B 59 3.440 18.241 36.750 1.00 34.12 C +ATOM 427 N VAL B 60 1.609 15.889 35.428 1.00 46.46 N +ATOM 428 CA VAL B 60 0.534 16.259 34.496 1.00 51.54 C +ATOM 429 C VAL B 60 0.831 17.676 33.954 1.00 52.29 C +ATOM 430 O VAL B 60 1.007 18.597 34.763 1.00 53.12 O +ATOM 431 CB VAL B 60 -0.834 16.249 35.237 1.00 51.38 C +ATOM 432 CG1 VAL B 60 -1.969 16.834 34.381 1.00 51.97 C +ATOM 433 CG2 VAL B 60 -1.189 14.803 35.526 1.00 53.64 C +ATOM 434 N GLN B 61 0.892 17.909 32.634 1.00 51.95 N +ATOM 435 CA GLN B 61 1.241 19.222 32.071 1.00 54.12 C +ATOM 436 C GLN B 61 0.090 20.256 32.157 1.00 52.79 C +ATOM 437 O GLN B 61 -0.303 20.963 31.215 1.00 51.03 O +ATOM 438 CB GLN B 61 1.665 19.030 30.601 1.00 58.84 C +ATOM 439 CG GLN B 61 2.777 18.020 30.295 1.00 64.28 C +ATOM 440 CD GLN B 61 2.409 16.545 30.493 1.00 67.22 C +ATOM 441 OE1 GLN B 61 1.296 16.105 30.202 1.00 67.66 O +ATOM 442 NE2 GLN B 61 3.280 15.733 31.073 1.00 69.71 N +ATOM 443 N GLY B 62 -0.428 20.426 33.368 1.00 51.91 N +ATOM 444 CA GLY B 62 -1.649 21.152 33.617 1.00 48.95 C +ATOM 445 C GLY B 62 -1.650 22.653 33.483 1.00 45.83 C +ATOM 446 O GLY B 62 -1.731 23.320 34.514 1.00 46.69 O +ATOM 447 N GLY B 63 -1.585 23.211 32.283 1.00 44.05 N +ATOM 448 CA GLY B 63 -1.736 24.643 32.096 1.00 40.77 C +ATOM 449 C GLY B 63 -1.035 25.527 33.131 1.00 38.55 C +ATOM 450 O GLY B 63 0.069 25.984 32.852 1.00 38.84 O +ATOM 451 N THR B 64 -1.538 25.769 34.343 1.00 34.77 N +ATOM 452 CA THR B 64 -0.841 26.728 35.174 1.00 36.43 C +ATOM 453 C THR B 64 0.468 26.212 35.760 1.00 33.00 C +ATOM 454 O THR B 64 1.319 27.049 36.081 1.00 30.58 O +ATOM 455 CB THR B 64 -1.736 27.215 36.309 1.00 39.16 C +ATOM 456 OG1 THR B 64 -2.161 26.079 37.065 1.00 46.41 O +ATOM 457 CG2 THR B 64 -2.890 28.010 35.770 1.00 41.81 C +ATOM 458 N VAL B 65 0.667 24.874 35.875 1.00 30.64 N +ATOM 459 CA VAL B 65 1.923 24.327 36.373 1.00 28.66 C +ATOM 460 C VAL B 65 3.010 24.757 35.390 1.00 32.87 C +ATOM 461 O VAL B 65 4.176 24.990 35.757 1.00 35.85 O +ATOM 462 CB VAL B 65 2.128 22.796 36.403 1.00 25.24 C +ATOM 463 CG1 VAL B 65 2.778 22.564 37.752 1.00 18.23 C +ATOM 464 CG2 VAL B 65 0.910 21.945 36.222 1.00 23.86 C +ATOM 465 N GLU B 66 2.626 24.923 34.120 1.00 31.70 N +ATOM 466 CA GLU B 66 3.572 25.261 33.108 1.00 26.28 C +ATOM 467 C GLU B 66 4.135 26.638 33.296 1.00 24.55 C +ATOM 468 O GLU B 66 5.340 26.735 33.153 1.00 25.40 O +ATOM 469 CB GLU B 66 2.868 25.015 31.803 1.00 25.93 C +ATOM 470 CG GLU B 66 2.731 23.465 31.716 1.00 35.65 C +ATOM 471 CD GLU B 66 4.010 22.607 32.005 1.00 43.17 C +ATOM 472 OE1 GLU B 66 5.127 23.029 31.626 1.00 41.83 O +ATOM 473 OE2 GLU B 66 3.899 21.509 32.598 1.00 44.89 O +ATOM 474 N ARG B 67 3.480 27.699 33.732 1.00 23.41 N +ATOM 475 CA ARG B 67 4.199 28.926 33.980 1.00 24.36 C +ATOM 476 C ARG B 67 5.190 28.750 35.179 1.00 27.90 C +ATOM 477 O ARG B 67 6.092 29.591 35.390 1.00 31.03 O +ATOM 478 CB ARG B 67 3.219 30.012 34.264 1.00 21.88 C +ATOM 479 CG ARG B 67 3.929 31.288 33.960 1.00 29.96 C +ATOM 480 CD ARG B 67 3.440 32.376 34.878 1.00 35.81 C +ATOM 481 NE ARG B 67 4.024 33.661 34.502 1.00 44.61 N +ATOM 482 CZ ARG B 67 3.642 34.832 35.067 1.00 48.76 C +ATOM 483 NH1 ARG B 67 2.698 34.873 36.019 1.00 52.07 N +ATOM 484 NH2 ARG B 67 4.181 35.995 34.657 1.00 49.38 N +ATOM 485 N LEU B 68 5.115 27.665 35.993 1.00 24.47 N +ATOM 486 CA LEU B 68 6.103 27.401 37.029 1.00 22.54 C +ATOM 487 C LEU B 68 7.349 26.834 36.304 1.00 22.34 C +ATOM 488 O LEU B 68 8.486 27.283 36.532 1.00 22.21 O +ATOM 489 CB LEU B 68 5.584 26.359 38.073 1.00 18.63 C +ATOM 490 CG LEU B 68 6.631 25.743 39.052 1.00 15.73 C +ATOM 491 CD1 LEU B 68 7.206 26.886 39.856 1.00 13.18 C +ATOM 492 CD2 LEU B 68 6.040 24.657 39.921 1.00 4.97 C +ATOM 493 N PHE B 69 7.150 25.827 35.433 1.00 19.45 N +ATOM 494 CA PHE B 69 8.232 25.194 34.741 1.00 18.76 C +ATOM 495 C PHE B 69 8.873 26.072 33.687 1.00 22.46 C +ATOM 496 O PHE B 69 10.050 25.900 33.353 1.00 22.35 O +ATOM 497 CB PHE B 69 7.777 23.987 34.087 1.00 14.47 C +ATOM 498 CG PHE B 69 7.505 22.891 35.066 1.00 20.62 C +ATOM 499 CD1 PHE B 69 8.467 22.500 35.949 1.00 23.35 C +ATOM 500 CD2 PHE B 69 6.279 22.286 35.077 1.00 24.72 C +ATOM 501 CE1 PHE B 69 8.203 21.501 36.851 1.00 26.17 C +ATOM 502 CE2 PHE B 69 6.015 21.284 35.974 1.00 25.73 C +ATOM 503 CZ PHE B 69 6.978 20.894 36.859 1.00 25.76 C +ATOM 504 N LYS B 70 8.105 27.056 33.240 1.00 24.31 N +ATOM 505 CA LYS B 70 8.509 28.037 32.267 1.00 27.51 C +ATOM 506 C LYS B 70 9.418 29.026 32.991 1.00 28.81 C +ATOM 507 O LYS B 70 10.519 29.290 32.521 1.00 29.92 O +ATOM 508 CB LYS B 70 7.264 28.717 31.741 1.00 26.06 C +ATOM 509 CG LYS B 70 7.458 29.355 30.408 1.00 26.33 C +ATOM 510 CD LYS B 70 6.572 30.578 30.389 1.00 29.11 C +ATOM 511 CE LYS B 70 7.196 31.612 31.308 1.00 33.71 C +ATOM 512 NZ LYS B 70 6.588 32.909 31.113 1.00 34.20 N +ATOM 513 N ASN B 71 9.016 29.620 34.116 1.00 30.74 N +ATOM 514 CA ASN B 71 9.924 30.404 34.955 1.00 30.09 C +ATOM 515 C ASN B 71 11.210 29.708 35.382 1.00 26.94 C +ATOM 516 O ASN B 71 12.263 30.325 35.370 1.00 26.63 O +ATOM 517 CB ASN B 71 9.212 30.840 36.201 1.00 31.89 C +ATOM 518 CG ASN B 71 8.499 32.147 35.944 1.00 36.19 C +ATOM 519 OD1 ASN B 71 8.134 32.502 34.808 1.00 40.09 O +ATOM 520 ND2 ASN B 71 8.316 32.902 37.025 1.00 36.80 N +ATOM 521 N LEU B 72 11.205 28.458 35.821 1.00 24.31 N +ATOM 522 CA LEU B 72 12.428 27.710 36.040 1.00 22.04 C +ATOM 523 C LEU B 72 13.276 27.499 34.771 1.00 25.11 C +ATOM 524 O LEU B 72 14.492 27.383 34.887 1.00 26.43 O +ATOM 525 CB LEU B 72 12.095 26.367 36.625 1.00 17.84 C +ATOM 526 CG LEU B 72 11.510 26.364 38.011 1.00 15.88 C +ATOM 527 CD1 LEU B 72 11.139 24.944 38.349 1.00 12.21 C +ATOM 528 CD2 LEU B 72 12.534 26.841 39.045 1.00 14.57 C +ATOM 529 N SER B 73 12.777 27.405 33.531 1.00 27.73 N +ATOM 530 CA SER B 73 13.621 27.372 32.336 1.00 26.14 C +ATOM 531 C SER B 73 14.239 28.727 32.078 1.00 24.55 C +ATOM 532 O SER B 73 15.378 28.823 31.640 1.00 27.52 O +ATOM 533 CB SER B 73 12.852 27.011 31.093 1.00 28.13 C +ATOM 534 OG SER B 73 13.094 25.646 30.778 1.00 34.58 O +ATOM 535 N LEU B 74 13.597 29.833 32.378 1.00 24.42 N +ATOM 536 CA LEU B 74 14.225 31.105 32.091 1.00 27.61 C +ATOM 537 C LEU B 74 15.306 31.379 33.157 1.00 29.34 C +ATOM 538 O LEU B 74 16.253 32.104 32.860 1.00 30.33 O +ATOM 539 CB LEU B 74 13.123 32.211 32.032 1.00 28.68 C +ATOM 540 CG LEU B 74 11.790 31.970 31.218 1.00 30.46 C +ATOM 541 CD1 LEU B 74 11.085 33.310 31.024 1.00 30.08 C +ATOM 542 CD2 LEU B 74 12.056 31.317 29.863 1.00 26.48 C +ATOM 543 N ILE B 75 15.208 30.844 34.398 1.00 29.12 N +ATOM 544 CA ILE B 75 16.289 30.901 35.380 1.00 28.99 C +ATOM 545 C ILE B 75 17.366 29.873 34.962 1.00 30.53 C +ATOM 546 O ILE B 75 18.549 30.138 35.184 1.00 33.21 O +ATOM 547 CB ILE B 75 15.749 30.582 36.796 1.00 24.35 C +ATOM 548 CG1 ILE B 75 14.940 31.778 37.304 1.00 28.39 C +ATOM 549 CG2 ILE B 75 16.867 30.389 37.794 1.00 25.06 C +ATOM 550 CD1 ILE B 75 13.986 31.543 38.561 1.00 24.17 C +ATOM 551 N LYS B 76 17.104 28.719 34.322 1.00 29.14 N +ATOM 552 CA LYS B 76 18.146 27.782 33.944 1.00 26.53 C +ATOM 553 C LYS B 76 19.099 28.397 32.938 1.00 31.81 C +ATOM 554 O LYS B 76 20.321 28.440 33.111 1.00 34.18 O +ATOM 555 CB LYS B 76 17.569 26.563 33.313 1.00 18.98 C +ATOM 556 CG LYS B 76 18.655 25.554 33.153 1.00 20.12 C +ATOM 557 CD LYS B 76 18.107 24.318 32.513 1.00 20.99 C +ATOM 558 CE LYS B 76 18.997 23.111 32.737 1.00 22.96 C +ATOM 559 NZ LYS B 76 20.225 23.147 31.960 1.00 28.85 N +ATOM 560 N LYS B 77 18.518 28.920 31.880 1.00 34.04 N +ATOM 561 CA LYS B 77 19.306 29.424 30.798 1.00 36.46 C +ATOM 562 C LYS B 77 20.229 30.538 31.277 1.00 35.82 C +ATOM 563 O LYS B 77 21.368 30.614 30.820 1.00 35.67 O +ATOM 564 CB LYS B 77 18.347 29.895 29.723 1.00 39.85 C +ATOM 565 CG LYS B 77 17.447 31.090 30.081 1.00 43.90 C +ATOM 566 CD LYS B 77 17.895 32.449 29.524 1.00 46.16 C +ATOM 567 CE LYS B 77 17.648 32.628 28.019 1.00 48.91 C +ATOM 568 NZ LYS B 77 18.407 31.731 27.148 1.00 49.91 N +ATOM 569 N TYR B 78 19.793 31.356 32.236 1.00 33.68 N +ATOM 570 CA TYR B 78 20.599 32.447 32.741 1.00 33.24 C +ATOM 571 C TYR B 78 21.761 31.882 33.580 1.00 33.33 C +ATOM 572 O TYR B 78 22.858 32.425 33.523 1.00 34.08 O +ATOM 573 CB TYR B 78 19.630 33.346 33.498 1.00 31.85 C +ATOM 574 CG TYR B 78 20.289 34.277 34.475 1.00 36.52 C +ATOM 575 CD1 TYR B 78 20.512 33.819 35.763 1.00 40.93 C +ATOM 576 CD2 TYR B 78 20.684 35.532 34.095 1.00 39.49 C +ATOM 577 CE1 TYR B 78 21.149 34.607 36.696 1.00 43.77 C +ATOM 578 CE2 TYR B 78 21.326 36.336 35.025 1.00 44.14 C +ATOM 579 CZ TYR B 78 21.560 35.864 36.315 1.00 45.14 C +ATOM 580 OH TYR B 78 22.276 36.626 37.227 1.00 46.67 O +ATOM 581 N ILE B 79 21.636 30.808 34.359 1.00 31.01 N +ATOM 582 CA ILE B 79 22.749 30.234 35.103 1.00 30.26 C +ATOM 583 C ILE B 79 23.741 29.690 34.058 1.00 30.52 C +ATOM 584 O ILE B 79 24.932 30.008 34.022 1.00 27.94 O +ATOM 585 CB ILE B 79 22.133 29.153 36.069 1.00 28.47 C +ATOM 586 CG1 ILE B 79 21.532 29.902 37.285 1.00 25.06 C +ATOM 587 CG2 ILE B 79 23.162 28.085 36.471 1.00 27.48 C +ATOM 588 CD1 ILE B 79 20.484 29.143 38.111 1.00 20.85 C +ATOM 589 N ASP B 80 23.219 28.977 33.089 1.00 31.49 N +ATOM 590 CA ASP B 80 24.014 28.466 32.010 1.00 31.23 C +ATOM 591 C ASP B 80 24.751 29.491 31.169 1.00 29.77 C +ATOM 592 O ASP B 80 25.853 29.250 30.681 1.00 27.15 O +ATOM 593 CB ASP B 80 23.064 27.644 31.239 1.00 32.09 C +ATOM 594 CG ASP B 80 22.779 26.359 31.987 1.00 39.13 C +ATOM 595 OD1 ASP B 80 23.408 26.055 33.012 1.00 43.04 O +ATOM 596 OD2 ASP B 80 21.914 25.628 31.513 1.00 46.60 O +ATOM 597 N GLY B 81 24.159 30.663 31.086 1.00 28.74 N +ATOM 598 CA GLY B 81 24.742 31.785 30.412 1.00 31.22 C +ATOM 599 C GLY B 81 25.875 32.283 31.279 1.00 32.44 C +ATOM 600 O GLY B 81 26.922 32.668 30.772 1.00 36.83 O +ATOM 601 N GLN B 82 25.778 32.235 32.603 1.00 31.62 N +ATOM 602 CA GLN B 82 26.831 32.722 33.452 1.00 26.10 C +ATOM 603 C GLN B 82 27.933 31.758 33.600 1.00 26.15 C +ATOM 604 O GLN B 82 29.069 32.197 33.751 1.00 28.13 O +ATOM 605 CB GLN B 82 26.309 33.020 34.764 1.00 27.29 C +ATOM 606 CG GLN B 82 25.707 34.383 34.557 1.00 26.46 C +ATOM 607 CD GLN B 82 25.640 35.111 35.869 1.00 30.62 C +ATOM 608 OE1 GLN B 82 25.426 34.513 36.941 1.00 33.90 O +ATOM 609 NE2 GLN B 82 25.874 36.422 35.780 1.00 28.80 N +ATOM 610 N LYS B 83 27.656 30.478 33.500 1.00 26.19 N +ATOM 611 CA LYS B 83 28.728 29.499 33.540 1.00 30.95 C +ATOM 612 C LYS B 83 29.573 29.663 32.291 1.00 31.94 C +ATOM 613 O LYS B 83 30.765 29.381 32.260 1.00 34.03 O +ATOM 614 CB LYS B 83 28.160 28.061 33.628 1.00 32.96 C +ATOM 615 CG LYS B 83 27.215 27.929 34.873 1.00 39.00 C +ATOM 616 CD LYS B 83 27.288 26.670 35.742 1.00 41.85 C +ATOM 617 CE LYS B 83 26.768 25.376 35.080 1.00 50.06 C +ATOM 618 NZ LYS B 83 25.307 25.240 35.039 1.00 52.04 N +ATOM 619 N LYS B 84 28.973 30.206 31.241 1.00 34.23 N +ATOM 620 CA LYS B 84 29.663 30.419 29.990 1.00 34.49 C +ATOM 621 C LYS B 84 30.581 31.595 30.139 1.00 32.30 C +ATOM 622 O LYS B 84 31.754 31.467 29.819 1.00 31.52 O +ATOM 623 CB LYS B 84 28.647 30.643 28.877 1.00 37.05 C +ATOM 624 CG LYS B 84 28.578 29.385 27.991 1.00 44.44 C +ATOM 625 CD LYS B 84 28.253 28.058 28.720 1.00 48.19 C +ATOM 626 CE LYS B 84 28.193 26.854 27.765 1.00 50.35 C +ATOM 627 NZ LYS B 84 27.983 25.635 28.537 1.00 53.98 N +ATOM 628 N LYS B 85 30.118 32.682 30.743 1.00 29.28 N +ATOM 629 CA LYS B 85 30.897 33.865 30.997 1.00 28.33 C +ATOM 630 C LYS B 85 32.038 33.620 32.009 1.00 33.09 C +ATOM 631 O LYS B 85 32.672 34.577 32.518 1.00 35.60 O +ATOM 632 CB LYS B 85 29.955 34.871 31.525 1.00 26.98 C +ATOM 633 CG LYS B 85 30.186 36.306 31.208 1.00 29.00 C +ATOM 634 CD LYS B 85 29.548 36.512 29.869 1.00 31.48 C +ATOM 635 CE LYS B 85 28.995 37.946 29.722 1.00 37.82 C +ATOM 636 NZ LYS B 85 29.915 38.924 29.143 1.00 40.24 N +ATOM 637 N CYS B 86 32.279 32.367 32.431 1.00 34.00 N +ATOM 638 CA CYS B 86 33.324 32.038 33.376 1.00 36.60 C +ATOM 639 C CYS B 86 34.677 32.009 32.665 1.00 37.98 C +ATOM 640 O CYS B 86 35.594 32.760 33.013 1.00 38.58 O +ATOM 641 CB CYS B 86 33.057 30.655 34.048 1.00 36.13 C +ATOM 642 SG CYS B 86 31.921 30.465 35.473 1.00 31.06 S +ATOM 643 N GLY B 87 34.805 31.207 31.618 1.00 38.29 N +ATOM 644 CA GLY B 87 36.050 31.112 30.901 1.00 40.35 C +ATOM 645 C GLY B 87 36.073 32.055 29.712 1.00 41.18 C +ATOM 646 O GLY B 87 36.575 31.615 28.678 1.00 40.55 O +ATOM 647 N GLU B 88 35.599 33.312 29.744 1.00 41.79 N +ATOM 648 CA GLU B 88 35.643 34.023 28.474 1.00 43.40 C +ATOM 649 C GLU B 88 36.650 35.152 28.383 1.00 42.66 C +ATOM 650 O GLU B 88 37.318 35.249 27.364 1.00 44.07 O +ATOM 651 CB GLU B 88 34.238 34.554 28.077 1.00 43.41 C +ATOM 652 CG GLU B 88 33.508 35.802 28.609 1.00 42.80 C +ATOM 653 CD GLU B 88 32.437 36.231 27.588 1.00 44.71 C +ATOM 654 OE1 GLU B 88 31.615 35.372 27.233 1.00 43.39 O +ATOM 655 OE2 GLU B 88 32.438 37.387 27.127 1.00 40.02 O +ATOM 656 N GLU B 89 36.834 36.059 29.330 1.00 41.94 N +ATOM 657 CA GLU B 89 37.888 37.017 29.169 1.00 39.27 C +ATOM 658 C GLU B 89 39.141 36.291 29.638 1.00 38.39 C +ATOM 659 O GLU B 89 39.118 35.433 30.523 1.00 38.58 O +ATOM 660 CB GLU B 89 37.614 38.224 30.018 1.00 42.30 C +ATOM 661 CG GLU B 89 37.252 39.454 29.177 1.00 50.10 C +ATOM 662 CD GLU B 89 35.787 39.609 28.729 1.00 56.47 C +ATOM 663 OE1 GLU B 89 35.181 38.656 28.224 1.00 58.92 O +ATOM 664 OE2 GLU B 89 35.243 40.711 28.875 1.00 58.41 O +ATOM 665 N ARG B 90 40.245 36.518 28.943 1.00 36.73 N +ATOM 666 CA ARG B 90 41.556 36.046 29.314 1.00 33.36 C +ATOM 667 C ARG B 90 42.234 37.334 29.712 1.00 33.43 C +ATOM 668 O ARG B 90 42.162 38.347 29.005 1.00 35.35 O +ATOM 669 CB ARG B 90 42.221 35.420 28.146 1.00 30.10 C +ATOM 670 CG ARG B 90 41.560 34.092 28.298 1.00 32.05 C +ATOM 671 CD ARG B 90 41.835 33.164 27.171 1.00 36.83 C +ATOM 672 NE ARG B 90 42.874 32.220 27.490 1.00 37.30 N +ATOM 673 CZ ARG B 90 44.128 32.533 27.227 1.00 39.86 C +ATOM 674 NH1 ARG B 90 44.504 33.715 26.676 1.00 36.83 N +ATOM 675 NH2 ARG B 90 44.995 31.566 27.484 1.00 41.33 N +ATOM 676 N ARG B 91 42.738 37.337 30.938 1.00 30.56 N +ATOM 677 CA ARG B 91 43.408 38.479 31.509 1.00 27.29 C +ATOM 678 C ARG B 91 44.742 38.024 32.106 1.00 23.69 C +ATOM 679 O ARG B 91 45.077 36.839 32.146 1.00 18.08 O +ATOM 680 CB ARG B 91 42.538 39.078 32.581 1.00 28.97 C +ATOM 681 CG ARG B 91 41.112 39.228 32.200 1.00 27.82 C +ATOM 682 CD ARG B 91 40.941 40.303 31.204 1.00 34.36 C +ATOM 683 NE ARG B 91 41.425 41.620 31.599 1.00 38.82 N +ATOM 684 CZ ARG B 91 41.124 42.262 32.740 1.00 42.69 C +ATOM 685 NH1 ARG B 91 40.323 41.722 33.675 1.00 44.96 N +ATOM 686 NH2 ARG B 91 41.584 43.514 32.900 1.00 42.75 N +ATOM 687 N ARG B 92 45.453 39.043 32.560 1.00 23.66 N +ATOM 688 CA ARG B 92 46.814 38.991 33.107 1.00 27.84 C +ATOM 689 C ARG B 92 46.831 38.383 34.507 1.00 29.27 C +ATOM 690 O ARG B 92 45.847 38.525 35.239 1.00 35.06 O +ATOM 691 CB ARG B 92 47.466 40.358 33.308 1.00 29.37 C +ATOM 692 CG ARG B 92 47.044 41.600 32.530 1.00 36.55 C +ATOM 693 CD ARG B 92 45.580 42.028 32.823 1.00 42.62 C +ATOM 694 NE ARG B 92 44.829 41.737 31.612 1.00 46.89 N +ATOM 695 CZ ARG B 92 44.316 42.706 30.832 1.00 50.43 C +ATOM 696 NH1 ARG B 92 44.425 44.010 31.143 1.00 50.66 N +ATOM 697 NH2 ARG B 92 43.818 42.366 29.630 1.00 51.15 N +ATOM 698 N VAL B 93 47.939 37.833 35.004 1.00 28.45 N +ATOM 699 CA VAL B 93 47.982 37.191 36.294 1.00 23.90 C +ATOM 700 C VAL B 93 47.568 38.149 37.422 1.00 24.46 C +ATOM 701 O VAL B 93 46.855 37.626 38.267 1.00 22.40 O +ATOM 702 CB VAL B 93 49.417 36.588 36.425 1.00 21.29 C +ATOM 703 CG1 VAL B 93 49.704 36.044 37.813 1.00 22.05 C +ATOM 704 CG2 VAL B 93 49.494 35.321 35.589 1.00 16.02 C +ATOM 705 N ASN B 94 47.800 39.472 37.506 1.00 22.31 N +ATOM 706 CA ASN B 94 47.313 40.201 38.656 1.00 25.26 C +ATOM 707 C ASN B 94 45.801 40.185 38.689 1.00 27.30 C +ATOM 708 O ASN B 94 45.247 39.977 39.771 1.00 27.14 O +ATOM 709 CB ASN B 94 47.735 41.661 38.705 1.00 31.19 C +ATOM 710 CG ASN B 94 47.415 42.451 37.450 1.00 39.59 C +ATOM 711 OD1 ASN B 94 47.888 42.019 36.389 1.00 45.11 O +ATOM 712 ND2 ASN B 94 46.683 43.575 37.484 1.00 36.81 N +ATOM 713 N GLN B 95 45.082 40.353 37.575 1.00 27.60 N +ATOM 714 CA GLN B 95 43.628 40.205 37.559 1.00 25.69 C +ATOM 715 C GLN B 95 43.196 38.814 37.944 1.00 20.46 C +ATOM 716 O GLN B 95 42.236 38.714 38.701 1.00 21.78 O +ATOM 717 CB GLN B 95 43.000 40.435 36.205 1.00 31.60 C +ATOM 718 CG GLN B 95 42.306 41.768 36.059 1.00 38.48 C +ATOM 719 CD GLN B 95 43.219 42.945 35.785 1.00 42.48 C +ATOM 720 OE1 GLN B 95 44.443 42.892 35.951 1.00 46.46 O +ATOM 721 NE2 GLN B 95 42.618 44.051 35.360 1.00 41.60 N +ATOM 722 N PHE B 96 43.814 37.726 37.494 1.00 16.69 N +ATOM 723 CA PHE B 96 43.389 36.436 37.993 1.00 16.86 C +ATOM 724 C PHE B 96 43.586 36.291 39.495 1.00 18.70 C +ATOM 725 O PHE B 96 42.752 35.671 40.143 1.00 22.06 O +ATOM 726 CB PHE B 96 44.130 35.349 37.334 1.00 11.81 C +ATOM 727 CG PHE B 96 43.850 33.954 37.913 1.00 12.89 C +ATOM 728 CD1 PHE B 96 42.679 33.302 37.645 1.00 13.24 C +ATOM 729 CD2 PHE B 96 44.804 33.303 38.666 1.00 12.50 C +ATOM 730 CE1 PHE B 96 42.481 32.014 38.115 1.00 14.94 C +ATOM 731 CE2 PHE B 96 44.603 32.023 39.133 1.00 14.29 C +ATOM 732 CZ PHE B 96 43.436 31.355 38.862 1.00 15.95 C +ATOM 733 N LEU B 97 44.652 36.849 40.088 1.00 21.22 N +ATOM 734 CA LEU B 97 44.962 36.767 41.504 1.00 17.99 C +ATOM 735 C LEU B 97 44.001 37.544 42.396 1.00 18.87 C +ATOM 736 O LEU B 97 43.541 36.989 43.407 1.00 18.87 O +ATOM 737 CB LEU B 97 46.397 37.247 41.708 1.00 16.49 C +ATOM 738 CG LEU B 97 47.503 36.392 41.100 1.00 11.27 C +ATOM 739 CD1 LEU B 97 48.828 36.888 41.639 1.00 17.42 C +ATOM 740 CD2 LEU B 97 47.375 34.957 41.490 1.00 7.42 C +ATOM 741 N ASP B 98 43.697 38.817 42.107 1.00 18.81 N +ATOM 742 CA ASP B 98 42.632 39.514 42.797 1.00 19.35 C +ATOM 743 C ASP B 98 41.321 38.730 42.733 1.00 21.61 C +ATOM 744 O ASP B 98 40.635 38.625 43.758 1.00 23.26 O +ATOM 745 CB ASP B 98 42.394 40.822 42.182 1.00 22.85 C +ATOM 746 CG ASP B 98 43.529 41.778 42.443 1.00 27.67 C +ATOM 747 OD1 ASP B 98 43.680 42.250 43.577 1.00 37.56 O +ATOM 748 OD2 ASP B 98 44.277 42.044 41.514 1.00 33.11 O +ATOM 749 N TYR B 99 40.966 38.105 41.597 1.00 19.59 N +ATOM 750 CA TYR B 99 39.764 37.304 41.534 1.00 17.05 C +ATOM 751 C TYR B 99 39.898 36.111 42.460 1.00 17.58 C +ATOM 752 O TYR B 99 38.988 35.857 43.246 1.00 20.96 O +ATOM 753 CB TYR B 99 39.505 36.798 40.128 1.00 16.99 C +ATOM 754 CG TYR B 99 38.069 36.349 39.864 1.00 18.03 C +ATOM 755 CD1 TYR B 99 37.080 37.290 39.680 1.00 18.13 C +ATOM 756 CD2 TYR B 99 37.747 35.011 39.815 1.00 18.38 C +ATOM 757 CE1 TYR B 99 35.771 36.895 39.455 1.00 20.36 C +ATOM 758 CE2 TYR B 99 36.442 34.607 39.586 1.00 17.82 C +ATOM 759 CZ TYR B 99 35.465 35.560 39.416 1.00 20.74 C +ATOM 760 OH TYR B 99 34.143 35.173 39.292 1.00 23.05 O +ATOM 761 N LEU B 100 40.997 35.360 42.445 1.00 18.07 N +ATOM 762 CA LEU B 100 41.145 34.184 43.281 1.00 14.09 C +ATOM 763 C LEU B 100 41.145 34.560 44.762 1.00 13.79 C +ATOM 764 O LEU B 100 40.594 33.808 45.557 1.00 15.11 O +ATOM 765 CB LEU B 100 42.421 33.471 42.868 1.00 9.56 C +ATOM 766 CG LEU B 100 42.782 32.288 43.741 1.00 12.13 C +ATOM 767 CD1 LEU B 100 41.671 31.245 43.723 1.00 13.28 C +ATOM 768 CD2 LEU B 100 44.064 31.665 43.234 1.00 14.68 C +ATOM 769 N GLN B 101 41.675 35.712 45.152 1.00 14.22 N +ATOM 770 CA GLN B 101 41.631 36.212 46.493 1.00 19.27 C +ATOM 771 C GLN B 101 40.205 36.409 46.962 1.00 22.20 C +ATOM 772 O GLN B 101 39.818 36.107 48.091 1.00 22.81 O +ATOM 773 CB GLN B 101 42.228 37.561 46.634 1.00 25.16 C +ATOM 774 CG GLN B 101 43.712 37.682 46.555 1.00 35.93 C +ATOM 775 CD GLN B 101 44.224 38.903 47.334 1.00 42.65 C +ATOM 776 OE1 GLN B 101 45.453 39.121 47.440 1.00 47.60 O +ATOM 777 NE2 GLN B 101 43.352 39.742 47.924 1.00 39.93 N +ATOM 778 N GLU B 102 39.461 37.065 46.072 1.00 23.20 N +ATOM 779 CA GLU B 102 38.059 37.312 46.219 1.00 19.30 C +ATOM 780 C GLU B 102 37.345 35.979 46.330 1.00 16.36 C +ATOM 781 O GLU B 102 36.463 35.872 47.157 1.00 16.36 O +ATOM 782 CB GLU B 102 37.679 38.081 45.031 1.00 21.64 C +ATOM 783 CG GLU B 102 36.306 38.563 45.222 1.00 29.74 C +ATOM 784 CD GLU B 102 36.127 39.861 44.476 1.00 34.36 C +ATOM 785 OE1 GLU B 102 36.749 40.844 44.919 1.00 32.65 O +ATOM 786 OE2 GLU B 102 35.380 39.856 43.478 1.00 35.17 O +ATOM 787 N PHE B 103 37.651 34.932 45.605 1.00 13.05 N +ATOM 788 CA PHE B 103 37.027 33.671 45.865 1.00 13.58 C +ATOM 789 C PHE B 103 37.444 33.067 47.232 1.00 17.81 C +ATOM 790 O PHE B 103 36.647 32.390 47.918 1.00 21.70 O +ATOM 791 CB PHE B 103 37.376 32.744 44.709 1.00 8.30 C +ATOM 792 CG PHE B 103 37.014 31.285 44.949 1.00 7.73 C +ATOM 793 CD1 PHE B 103 35.772 30.907 45.378 1.00 6.92 C +ATOM 794 CD2 PHE B 103 37.950 30.317 44.740 1.00 10.19 C +ATOM 795 CE1 PHE B 103 35.491 29.580 45.584 1.00 9.85 C +ATOM 796 CE2 PHE B 103 37.665 28.989 44.950 1.00 10.96 C +ATOM 797 CZ PHE B 103 36.430 28.605 45.374 1.00 9.46 C +ATOM 798 N LEU B 104 38.680 33.179 47.689 1.00 16.84 N +ATOM 799 CA LEU B 104 39.001 32.600 48.976 1.00 16.10 C +ATOM 800 C LEU B 104 38.375 33.428 50.117 1.00 15.56 C +ATOM 801 O LEU B 104 37.928 32.900 51.137 1.00 16.61 O +ATOM 802 CB LEU B 104 40.521 32.533 49.096 1.00 17.75 C +ATOM 803 CG LEU B 104 41.243 31.465 48.334 1.00 14.92 C +ATOM 804 CD1 LEU B 104 42.653 31.935 48.142 1.00 12.95 C +ATOM 805 CD2 LEU B 104 41.238 30.161 49.087 1.00 13.09 C +ATOM 806 N GLY B 105 38.303 34.741 49.976 1.00 15.10 N +ATOM 807 CA GLY B 105 37.650 35.643 50.910 1.00 19.53 C +ATOM 808 C GLY B 105 36.219 35.150 51.171 1.00 21.21 C +ATOM 809 O GLY B 105 35.898 34.878 52.314 1.00 22.79 O +ATOM 810 N VAL B 106 35.374 34.922 50.159 1.00 21.58 N +ATOM 811 CA VAL B 106 34.040 34.311 50.235 1.00 20.27 C +ATOM 812 C VAL B 106 33.975 32.986 50.989 1.00 20.74 C +ATOM 813 O VAL B 106 33.052 32.767 51.793 1.00 20.06 O +ATOM 814 CB VAL B 106 33.525 34.119 48.809 1.00 18.22 C +ATOM 815 CG1 VAL B 106 32.387 33.104 48.665 1.00 22.32 C +ATOM 816 CG2 VAL B 106 33.113 35.509 48.392 1.00 16.85 C +ATOM 817 N MET B 107 34.911 32.076 50.711 1.00 20.79 N +ATOM 818 CA MET B 107 34.951 30.828 51.440 1.00 18.69 C +ATOM 819 C MET B 107 35.139 31.073 52.931 1.00 19.62 C +ATOM 820 O MET B 107 34.510 30.361 53.737 1.00 18.92 O +ATOM 821 CB MET B 107 36.074 29.930 50.989 1.00 14.53 C +ATOM 822 CG MET B 107 35.750 29.182 49.769 1.00 12.14 C +ATOM 823 SD MET B 107 37.121 28.075 49.340 1.00 17.30 S +ATOM 824 CE MET B 107 36.700 26.607 50.219 1.00 13.93 C +ATOM 825 N ASN B 108 35.947 32.087 53.273 1.00 16.53 N +ATOM 826 CA ASN B 108 36.252 32.335 54.664 1.00 16.15 C +ATOM 827 C ASN B 108 35.179 33.177 55.358 1.00 17.87 C +ATOM 828 O ASN B 108 35.002 33.074 56.556 1.00 19.96 O +ATOM 829 CB ASN B 108 37.626 33.023 54.711 1.00 15.40 C +ATOM 830 CG ASN B 108 38.188 33.373 56.089 1.00 8.73 C +ATOM 831 OD1 ASN B 108 38.405 32.490 56.897 1.00 7.69 O +ATOM 832 ND2 ASN B 108 38.457 34.615 56.418 1.00 4.54 N +ATOM 833 N THR B 109 34.502 34.102 54.674 1.00 21.12 N +ATOM 834 CA THR B 109 33.411 34.957 55.119 1.00 21.16 C +ATOM 835 C THR B 109 31.998 34.367 55.054 1.00 25.26 C +ATOM 836 O THR B 109 31.212 34.481 56.005 1.00 27.43 O +ATOM 837 CB THR B 109 33.498 36.187 54.285 1.00 18.68 C +ATOM 838 OG1 THR B 109 34.534 36.859 54.946 1.00 18.01 O +ATOM 839 CG2 THR B 109 32.294 37.081 54.188 1.00 25.25 C +ATOM 840 N GLU B 110 31.661 33.788 53.917 1.00 25.38 N +ATOM 841 CA GLU B 110 30.356 33.237 53.695 1.00 23.21 C +ATOM 842 C GLU B 110 30.216 31.766 54.041 1.00 22.57 C +ATOM 843 O GLU B 110 29.326 31.457 54.798 1.00 28.33 O +ATOM 844 CB GLU B 110 29.944 33.393 52.233 1.00 28.27 C +ATOM 845 CG GLU B 110 29.568 34.752 51.552 1.00 30.58 C +ATOM 846 CD GLU B 110 28.849 34.611 50.163 1.00 34.81 C +ATOM 847 OE1 GLU B 110 28.498 33.502 49.671 1.00 29.48 O +ATOM 848 OE2 GLU B 110 28.630 35.662 49.543 1.00 38.16 O +ATOM 849 N TRP B 111 31.015 30.785 53.629 1.00 19.81 N +ATOM 850 CA TRP B 111 30.685 29.371 53.784 1.00 15.42 C +ATOM 851 C TRP B 111 30.572 28.717 55.133 1.00 16.76 C +ATOM 852 O TRP B 111 31.086 29.253 56.106 1.00 19.78 O +ATOM 853 CB TRP B 111 31.687 28.507 52.966 1.00 16.57 C +ATOM 854 CG TRP B 111 31.713 28.633 51.444 1.00 10.94 C +ATOM 855 CD1 TRP B 111 31.268 29.757 50.814 1.00 10.49 C +ATOM 856 CD2 TRP B 111 32.173 27.675 50.587 1.00 11.88 C +ATOM 857 NE1 TRP B 111 31.444 29.503 49.546 1.00 14.16 N +ATOM 858 CE2 TRP B 111 31.975 28.276 49.373 1.00 15.72 C +ATOM 859 CE3 TRP B 111 32.717 26.418 50.637 1.00 16.66 C +ATOM 860 CZ2 TRP B 111 32.309 27.646 48.183 1.00 19.23 C +ATOM 861 CZ3 TRP B 111 33.052 25.769 49.466 1.00 17.56 C +ATOM 862 CH2 TRP B 111 32.846 26.379 48.239 1.00 17.44 C +ATOM 863 N ILE B 112 30.060 27.478 55.073 1.00 19.06 N +ATOM 864 CA ILE B 112 29.844 26.504 56.136 1.00 26.93 C +ATOM 865 C ILE B 112 28.593 26.758 57.063 1.00 31.30 C +ATOM 866 O ILE B 112 28.034 25.781 57.568 1.00 29.64 O +ATOM 867 CB ILE B 112 31.232 26.384 56.918 1.00 28.08 C +ATOM 868 CG1 ILE B 112 31.881 25.058 56.542 1.00 31.25 C +ATOM 869 CG2 ILE B 112 31.101 26.343 58.441 1.00 36.64 C +ATOM 870 CD1 ILE B 112 33.161 24.633 57.350 1.00 23.83 C +ATOM 871 OXT ILE B 112 28.126 27.889 57.242 1.00 32.80 O +TER 872 ILE B 112 +END diff --git a/bench/main_benchmark/structures/SFB_OL_RNASA_7RSAA_1A2WA/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_RNASA_7RSAA_1A2WA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5a0cf92b50ee6709a543a9985f765a49a71b2eaa --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_RNASA_7RSAA_1A2WA/state_a.pdb @@ -0,0 +1,2002 @@ +ATOM 1 N LYS A 1 17.208 26.496 -2.120 1.00 23.56 N +ATOM 2 CA LYS A 1 17.586 25.166 -1.492 1.00 21.72 C +ATOM 3 C LYS A 1 18.376 25.526 -0.224 1.00 17.32 C +ATOM 4 O LYS A 1 18.800 26.649 -0.055 1.00 16.89 O +ATOM 5 CB LYS A 1 18.268 24.389 -2.543 1.00 27.53 C +ATOM 6 CG LYS A 1 19.133 23.202 -2.442 1.00 33.17 C +ATOM 7 CD LYS A 1 19.271 22.450 -3.786 1.00 37.31 C +ATOM 8 CE LYS A 1 19.911 21.079 -3.701 1.00 39.40 C +ATOM 9 NZ LYS A 1 19.031 19.957 -3.304 1.00 40.47 N +ATOM 10 H1 LYS A 1 18.037 27.035 -2.362 1.00 23.61 H +ATOM 11 H2 LYS A 1 16.678 26.324 -3.015 1.00 24.45 H +ATOM 12 H3 LYS A 1 16.566 26.969 -1.475 1.00 23.74 H +ATOM 13 HA LYS A 1 16.632 24.726 -1.163 1.00 22.07 H +ATOM 14 HB2 LYS A 1 17.381 24.106 -3.225 1.00 27.68 H +ATOM 15 HB3 LYS A 1 18.823 25.120 -3.218 1.00 27.60 H +ATOM 16 HG2 LYS A 1 20.175 23.493 -2.189 1.00 33.14 H +ATOM 17 HG3 LYS A 1 18.838 22.476 -1.674 1.00 33.35 H +ATOM 18 HD2 LYS A 1 18.271 22.340 -4.228 1.00 37.26 H +ATOM 19 HD3 LYS A 1 19.865 23.075 -4.452 1.00 37.19 H +ATOM 20 HE2 LYS A 1 20.288 20.808 -4.703 1.00 39.57 H +ATOM 21 HE3 LYS A 1 20.758 21.090 -3.016 1.00 39.56 H +ATOM 22 HZ1 LYS A 1 18.126 20.018 -3.775 1.00 40.35 H +ATOM 23 HZ2 LYS A 1 19.441 19.047 -3.560 1.00 40.38 H +ATOM 24 HZ3 LYS A 1 18.934 19.941 -2.288 1.00 40.30 H +ATOM 25 N GLU A 2 18.478 24.531 0.619 1.00 13.96 N +ATOM 26 CA GLU A 2 19.240 24.741 1.886 1.00 12.35 C +ATOM 27 C GLU A 2 20.671 25.200 1.614 1.00 11.37 C +ATOM 28 O GLU A 2 21.343 24.641 0.763 1.00 12.34 O +ATOM 29 CB GLU A 2 19.271 23.414 2.580 1.00 12.64 C +ATOM 30 CG GLU A 2 19.819 23.454 4.018 1.00 11.88 C +ATOM 31 CD GLU A 2 19.847 22.078 4.598 1.00 12.29 C +ATOM 32 OE1 GLU A 2 20.055 21.073 3.945 1.00 13.27 O +ATOM 33 OE2 GLU A 2 19.644 21.974 5.883 1.00 12.32 O +ATOM 34 H GLU A 2 18.123 23.615 0.464 1.00 15.24 H +ATOM 35 HA GLU A 2 18.734 25.465 2.477 1.00 12.57 H +ATOM 36 HB2 GLU A 2 18.284 22.979 2.587 1.00 12.41 H +ATOM 37 HB3 GLU A 2 19.916 22.721 2.010 1.00 12.27 H +ATOM 38 HG2 GLU A 2 20.796 23.870 4.022 1.00 11.55 H +ATOM 39 HG3 GLU A 2 19.205 24.070 4.656 1.00 11.82 H +ATOM 40 N THR A 3 21.061 26.200 2.373 1.00 11.69 N +ATOM 41 CA THR A 3 22.444 26.745 2.238 1.00 12.47 C +ATOM 42 C THR A 3 23.424 25.749 2.981 1.00 11.52 C +ATOM 43 O THR A 3 23.051 24.967 3.783 1.00 11.28 O +ATOM 44 CB THR A 3 22.587 28.143 2.780 1.00 13.91 C +ATOM 45 OG1 THR A 3 22.446 28.038 4.208 1.00 14.71 O +ATOM 46 CG2 THR A 3 21.610 29.180 2.206 1.00 14.39 C +ATOM 47 H THR A 3 20.495 26.630 3.071 1.00 12.05 H +ATOM 48 HA THR A 3 22.702 26.713 1.211 1.00 12.74 H +ATOM 49 HB THR A 3 23.628 28.490 2.573 1.00 13.83 H +ATOM 50 HG1 THR A 3 21.529 28.047 4.521 1.00 14.34 H +ATOM 51 HG21 THR A 3 20.630 28.706 2.061 1.00 14.04 H +ATOM 52 HG22 THR A 3 21.526 30.049 2.809 1.00 13.72 H +ATOM 53 HG23 THR A 3 21.939 29.463 1.176 1.00 14.47 H +ATOM 54 N ALA A 4 24.671 25.898 2.559 1.00 11.64 N +ATOM 55 CA ALA A 4 25.727 25.053 3.145 1.00 11.31 C +ATOM 56 C ALA A 4 25.832 25.387 4.647 1.00 10.85 C +ATOM 57 O ALA A 4 26.026 24.455 5.430 1.00 10.82 O +ATOM 58 CB ALA A 4 27.039 25.210 2.351 1.00 12.77 C +ATOM 59 H ALA A 4 24.965 26.578 1.887 1.00 12.74 H +ATOM 60 HA ALA A 4 25.442 24.023 3.051 1.00 11.15 H +ATOM 61 HB1 ALA A 4 26.861 24.954 1.308 1.00 12.50 H +ATOM 62 HB2 ALA A 4 27.393 26.213 2.402 1.00 12.03 H +ATOM 63 HB3 ALA A 4 27.783 24.507 2.696 1.00 12.31 H +ATOM 64 N ALA A 5 25.675 26.612 5.036 1.00 10.36 N +ATOM 65 CA ALA A 5 25.745 27.011 6.425 1.00 10.22 C +ATOM 66 C ALA A 5 24.640 26.340 7.232 1.00 10.43 C +ATOM 67 O ALA A 5 24.857 25.861 8.359 1.00 10.21 O +ATOM 68 CB ALA A 5 25.718 28.509 6.655 1.00 10.84 C +ATOM 69 H ALA A 5 25.505 27.351 4.355 1.00 11.37 H +ATOM 70 HA ALA A 5 26.698 26.652 6.807 1.00 10.34 H +ATOM 71 HB1 ALA A 5 26.501 29.006 6.104 1.00 10.89 H +ATOM 72 HB2 ALA A 5 24.764 28.938 6.402 1.00 10.74 H +ATOM 73 HB3 ALA A 5 25.861 28.738 7.715 1.00 11.08 H +ATOM 74 N ALA A 6 23.430 26.351 6.646 1.00 9.74 N +ATOM 75 CA ALA A 6 22.267 25.744 7.297 1.00 9.66 C +ATOM 76 C ALA A 6 22.430 24.247 7.390 1.00 8.34 C +ATOM 77 O ALA A 6 22.041 23.630 8.398 1.00 9.15 O +ATOM 78 CB ALA A 6 20.999 26.091 6.497 1.00 10.47 C +ATOM 79 H ALA A 6 23.295 26.743 5.746 1.00 10.48 H +ATOM 80 HA ALA A 6 22.132 26.165 8.272 1.00 9.48 H +ATOM 81 HB1 ALA A 6 21.196 25.930 5.443 1.00 9.89 H +ATOM 82 HB2 ALA A 6 20.196 25.455 6.811 1.00 10.10 H +ATOM 83 HB3 ALA A 6 20.757 27.124 6.665 1.00 10.15 H +ATOM 84 N LYS A 7 22.949 23.617 6.365 1.00 8.11 N +ATOM 85 CA LYS A 7 23.192 22.195 6.327 1.00 8.55 C +ATOM 86 C LYS A 7 24.177 21.845 7.463 1.00 8.43 C +ATOM 87 O LYS A 7 24.027 20.845 8.162 1.00 8.42 O +ATOM 88 CB LYS A 7 23.679 21.746 4.982 1.00 11.63 C +ATOM 89 CG LYS A 7 23.978 20.234 4.899 1.00 15.78 C +ATOM 90 CD LYS A 7 24.475 19.912 3.518 1.00 20.82 C +ATOM 91 CE LYS A 7 25.099 18.518 3.446 0.75 24.29 C +ATOM 92 NZ LYS A 7 25.594 18.329 2.055 0.67 26.23 N +ATOM 93 H LYS A 7 23.264 24.144 5.554 1.00 8.76 H +ATOM 94 HA LYS A 7 22.274 21.667 6.519 1.00 8.28 H +ATOM 95 HB2 LYS A 7 22.920 21.966 4.220 1.00 11.46 H +ATOM 96 HB3 LYS A 7 24.580 22.301 4.729 1.00 11.40 H +ATOM 97 HG2 LYS A 7 24.717 19.926 5.648 1.00 15.74 H +ATOM 98 HG3 LYS A 7 23.077 19.660 5.099 1.00 15.77 H +ATOM 99 HD2 LYS A 7 23.643 19.950 2.810 1.00 20.42 H +ATOM 100 HD3 LYS A 7 25.231 20.636 3.183 1.00 20.40 H +ATOM 101 HE2 LYS A 7 25.944 18.437 4.115 0.75 24.07 H +ATOM 102 HE3 LYS A 7 24.364 17.750 3.634 0.75 23.99 H +ATOM 103 HZ1 LYS A 7 24.859 18.444 1.353 0.67 26.05 H +ATOM 104 HZ2 LYS A 7 26.319 19.015 1.850 0.67 26.00 H +ATOM 105 HZ3 LYS A 7 25.949 17.368 1.962 0.67 26.19 H +ATOM 106 N PHE A 8 25.168 22.680 7.647 1.00 8.12 N +ATOM 107 CA PHE A 8 26.159 22.410 8.754 1.00 7.81 C +ATOM 108 C PHE A 8 25.464 22.381 10.086 1.00 7.47 C +ATOM 109 O PHE A 8 25.714 21.527 10.967 1.00 8.29 O +ATOM 110 CB PHE A 8 27.312 23.420 8.668 1.00 8.16 C +ATOM 111 CG PHE A 8 28.302 23.279 9.803 1.00 8.09 C +ATOM 112 CD1 PHE A 8 29.447 22.502 9.644 1.00 8.66 C +ATOM 113 CD2 PHE A 8 28.070 23.866 11.044 1.00 8.80 C +ATOM 114 CE1 PHE A 8 30.352 22.303 10.680 1.00 8.94 C +ATOM 115 CE2 PHE A 8 28.932 23.669 12.111 1.00 9.34 C +ATOM 116 CZ PHE A 8 30.054 22.863 11.907 1.00 9.32 C +ATOM 117 H PHE A 8 25.307 23.497 7.105 1.00 8.50 H +ATOM 118 HA PHE A 8 26.637 21.499 8.515 1.00 7.34 H +ATOM 119 HB2 PHE A 8 27.799 23.236 7.711 1.00 7.55 H +ATOM 120 HB3 PHE A 8 26.892 24.393 8.639 1.00 7.82 H +ATOM 121 HD1 PHE A 8 29.607 22.049 8.716 1.00 8.64 H +ATOM 122 HD2 PHE A 8 27.167 24.445 11.160 1.00 8.92 H +ATOM 123 HE1 PHE A 8 31.193 21.702 10.532 1.00 8.69 H +ATOM 124 HE2 PHE A 8 28.767 24.090 13.024 1.00 8.95 H +ATOM 125 HZ PHE A 8 30.755 22.740 12.698 1.00 9.31 H +ATOM 126 N GLU A 9 24.602 23.358 10.360 1.00 7.10 N +ATOM 127 CA GLU A 9 23.875 23.417 11.595 1.00 7.85 C +ATOM 128 C GLU A 9 23.035 22.159 11.803 1.00 8.11 C +ATOM 129 O GLU A 9 22.986 21.565 12.880 1.00 8.42 O +ATOM 130 CB GLU A 9 22.980 24.601 11.795 1.00 10.56 C +ATOM 131 CG GLU A 9 23.673 25.913 11.790 1.00 14.00 C +ATOM 132 CD GLU A 9 22.824 27.157 12.014 1.00 17.53 C +ATOM 133 OE1 GLU A 9 23.294 28.213 11.509 1.00 19.71 O +ATOM 134 OE2 GLU A 9 21.777 26.903 12.766 1.00 18.71 O +ATOM 135 H GLU A 9 24.408 24.058 9.656 1.00 7.90 H +ATOM 136 HA GLU A 9 24.628 23.431 12.395 1.00 8.54 H +ATOM 137 HB2 GLU A 9 22.172 24.578 11.080 1.00 10.41 H +ATOM 138 HB3 GLU A 9 22.484 24.482 12.795 1.00 10.11 H +ATOM 139 HG2 GLU A 9 24.399 25.923 12.611 1.00 13.84 H +ATOM 140 HG3 GLU A 9 24.248 26.132 10.899 1.00 14.06 H +ATOM 141 N ARG A 10 22.299 21.779 10.733 1.00 7.12 N +ATOM 142 CA ARG A 10 21.453 20.602 10.796 1.00 7.81 C +ATOM 143 C ARG A 10 22.214 19.305 11.033 1.00 7.06 C +ATOM 144 O ARG A 10 21.791 18.446 11.789 1.00 7.60 O +ATOM 145 CB ARG A 10 20.582 20.491 9.498 1.00 7.68 C +ATOM 146 CG ARG A 10 19.641 19.279 9.461 1.00 8.35 C +ATOM 147 CD ARG A 10 18.701 19.356 8.280 1.00 9.90 C +ATOM 148 NE ARG A 10 19.389 19.406 7.002 1.00 11.02 N +ATOM 149 CZ ARG A 10 19.810 18.395 6.314 1.00 13.78 C +ATOM 150 NH1 ARG A 10 19.731 17.119 6.766 1.00 15.63 N +ATOM 151 NH2 ARG A 10 20.426 18.535 5.177 1.00 15.05 N +ATOM 152 H ARG A 10 22.347 22.283 9.875 1.00 7.67 H +ATOM 153 HA ARG A 10 20.744 20.715 11.599 1.00 7.59 H +ATOM 154 HB2 ARG A 10 20.072 21.412 9.408 1.00 7.69 H +ATOM 155 HB3 ARG A 10 21.291 20.452 8.675 1.00 6.90 H +ATOM 156 HG2 ARG A 10 20.165 18.392 9.422 1.00 7.99 H +ATOM 157 HG3 ARG A 10 19.049 19.250 10.341 1.00 7.95 H +ATOM 158 HD2 ARG A 10 17.956 18.625 8.309 1.00 9.40 H +ATOM 159 HD3 ARG A 10 18.188 20.298 8.386 1.00 9.49 H +ATOM 160 HE ARG A 10 19.515 20.324 6.621 1.00 12.25 H +ATOM 161 HH11 ARG A 10 19.267 16.886 7.643 1.00 14.60 H +ATOM 162 HH12 ARG A 10 20.079 16.345 6.208 1.00 15.96 H +ATOM 163 HH21 ARG A 10 20.776 17.727 4.649 1.00 15.94 H +ATOM 164 HH22 ARG A 10 20.585 19.422 4.733 1.00 14.77 H +ATOM 165 N GLN A 11 23.300 19.140 10.351 1.00 7.89 N +ATOM 166 CA GLN A 11 24.054 17.905 10.457 1.00 7.79 C +ATOM 167 C GLN A 11 24.923 17.820 11.712 1.00 8.26 C +ATOM 168 O GLN A 11 25.160 16.714 12.157 1.00 9.02 O +ATOM 169 CB AGLN A 11 24.970 17.700 9.254 0.66 9.73 C +ATOM 170 CB BGLN A 11 24.903 17.781 9.198 0.33 10.17 C +ATOM 171 CG AGLN A 11 24.342 17.651 7.912 0.66 13.09 C +ATOM 172 CG BGLN A 11 25.344 16.363 8.921 0.33 12.73 C +ATOM 173 CD AGLN A 11 25.335 17.148 6.845 0.66 15.62 C +ATOM 174 CD BGLN A 11 25.732 16.315 7.435 0.33 14.83 C +ATOM 175 OE1AGLN A 11 26.486 17.453 6.879 0.66 17.24 O +ATOM 176 OE1BGLN A 11 26.851 16.559 7.092 0.33 15.41 O +ATOM 177 NE2AGLN A 11 24.756 16.369 5.950 0.66 17.88 N +ATOM 178 NE2BGLN A 11 24.701 16.045 6.644 0.33 16.22 N +ATOM 179 H GLN A 11 23.650 19.838 9.697 1.00 7.87 H +ATOM 180 HA GLN A 11 23.388 17.063 10.436 1.00 8.51 H +ATOM 181 HB2AGLN A 11 25.714 18.516 9.289 0.66 9.50 H +ATOM 182 HB2BGLN A 11 24.288 18.179 8.375 0.33 10.28 H +ATOM 183 HB3AGLN A 11 25.538 16.763 9.436 0.66 9.47 H +ATOM 184 HB3BGLN A 11 25.778 18.436 9.292 0.33 10.07 H +ATOM 185 HG2AGLN A 11 23.448 17.085 7.829 0.66 13.01 H +ATOM 186 HG2BGLN A 11 26.167 16.012 9.508 0.33 12.72 H +ATOM 187 HG3AGLN A 11 24.085 18.611 7.488 0.66 12.99 H +ATOM 188 HG3BGLN A 11 24.524 15.667 9.014 0.33 12.65 H +ATOM 189 HE21AGLN A 11 25.311 15.943 5.224 0.66 17.25 H +ATOM 190 HE21BGLN A 11 23.771 15.878 6.993 0.33 15.65 H +ATOM 191 HE22AGLN A 11 23.784 16.117 5.962 0.66 16.91 H +ATOM 192 HE22BGLN A 11 24.828 16.028 5.648 0.33 15.82 H +ATOM 193 N HIS A 12 25.409 18.956 12.227 1.00 7.46 N +ATOM 194 CA HIS A 12 26.447 18.922 13.244 1.00 8.30 C +ATOM 195 C HIS A 12 26.154 19.594 14.545 1.00 9.12 C +ATOM 196 O HIS A 12 26.957 19.353 15.478 1.00 11.15 O +ATOM 197 CB HIS A 12 27.780 19.415 12.673 1.00 8.14 C +ATOM 198 CG HIS A 12 28.264 18.701 11.439 1.00 7.84 C +ATOM 199 ND1 HIS A 12 28.652 17.372 11.529 1.00 8.55 N +ATOM 200 CD2 HIS A 12 28.363 19.107 10.149 1.00 9.41 C +ATOM 201 CE1 HIS A 12 28.956 17.017 10.277 1.00 9.03 C +ATOM 202 NE2 HIS A 12 28.813 18.031 9.434 1.00 9.11 N +ATOM 203 H HIS A 12 25.247 19.824 11.750 1.00 8.05 H +ATOM 204 HA HIS A 12 26.660 17.858 13.458 1.00 8.28 H +ATOM 205 HB2 HIS A 12 27.726 20.493 12.492 1.00 8.22 H +ATOM 206 HB3 HIS A 12 28.539 19.248 13.448 1.00 8.28 H +ATOM 207 HD1 HIS A 12 28.688 16.753 12.335 1.00 8.89 H +ATOM 208 HD2 HIS A 12 28.144 20.048 9.706 1.00 8.97 H +ATOM 209 HE1 HIS A 12 29.325 16.048 10.018 1.00 8.87 H +ATOM 210 HE2 HIS A 12 29.014 18.013 8.407 1.00 9.34 H +ATOM 211 N MET A 13 25.198 20.471 14.647 1.00 8.33 N +ATOM 212 CA MET A 13 25.040 21.192 15.911 1.00 8.15 C +ATOM 213 C MET A 13 24.002 20.607 16.833 1.00 8.39 C +ATOM 214 O MET A 13 22.889 20.356 16.395 1.00 9.50 O +ATOM 215 CB MET A 13 24.702 22.681 15.611 1.00 8.24 C +ATOM 216 CG MET A 13 25.801 23.508 14.991 1.00 10.01 C +ATOM 217 SD MET A 13 27.322 23.593 15.972 1.00 11.53 S +ATOM 218 CE MET A 13 26.645 24.213 17.547 1.00 11.55 C +ATOM 219 H MET A 13 24.618 20.689 13.861 1.00 8.57 H +ATOM 220 HA MET A 13 25.987 21.251 16.411 1.00 7.91 H +ATOM 221 HB2 MET A 13 23.865 22.683 14.895 1.00 8.05 H +ATOM 222 HB3 MET A 13 24.281 23.143 16.485 1.00 8.26 H +ATOM 223 HG2 MET A 13 26.227 23.119 14.056 1.00 9.93 H +ATOM 224 HG3 MET A 13 25.492 24.538 14.855 1.00 9.71 H +ATOM 225 HE1 MET A 13 25.735 24.736 17.345 1.00 10.78 H +ATOM 226 HE2 MET A 13 26.488 23.350 18.150 1.00 11.31 H +ATOM 227 HE3 MET A 13 27.412 24.883 17.908 1.00 11.43 H +ATOM 228 N ASP A 14 24.329 20.459 18.115 1.00 8.07 N +ATOM 229 CA ASP A 14 23.344 20.093 19.090 1.00 9.03 C +ATOM 230 C ASP A 14 23.661 20.886 20.395 1.00 9.01 C +ATOM 231 O ASP A 14 24.159 20.357 21.349 1.00 10.31 O +ATOM 232 CB ASP A 14 23.181 18.611 19.347 1.00 9.96 C +ATOM 233 CG ASP A 14 22.012 18.416 20.335 1.00 11.19 C +ATOM 234 OD1 ASP A 14 21.225 19.303 20.581 1.00 11.23 O +ATOM 235 OD2 ASP A 14 22.005 17.225 20.835 1.00 12.91 O +ATOM 236 H ASP A 14 25.237 20.753 18.438 1.00 8.28 H +ATOM 237 HA ASP A 14 22.371 20.433 18.789 1.00 8.70 H +ATOM 238 HB2 ASP A 14 22.955 18.075 18.457 1.00 9.97 H +ATOM 239 HB3 ASP A 14 24.069 18.170 19.761 1.00 9.82 H +ATOM 240 N SER A 15 23.217 22.146 20.366 1.00 9.49 N +ATOM 241 CA SER A 15 23.394 23.049 21.522 1.00 10.43 C +ATOM 242 C SER A 15 22.425 22.746 22.643 1.00 11.26 C +ATOM 243 O SER A 15 22.556 23.400 23.693 1.00 13.77 O +ATOM 244 CB SER A 15 23.177 24.506 21.046 1.00 12.08 C +ATOM 245 OG SER A 15 24.033 24.786 19.955 1.00 14.80 O +ATOM 246 H SER A 15 22.776 22.542 19.561 1.00 10.67 H +ATOM 247 HA SER A 15 24.392 23.024 21.868 1.00 10.36 H +ATOM 248 HB2 SER A 15 22.140 24.691 20.803 1.00 10.99 H +ATOM 249 HB3 SER A 15 23.472 25.140 21.879 1.00 12.18 H +ATOM 250 HG SER A 15 23.536 25.177 19.243 1.00 15.24 H +ATOM 251 N SER A 16 21.480 21.907 22.463 1.00 11.47 N +ATOM 252 CA SER A 16 20.414 21.565 23.422 1.00 12.94 C +ATOM 253 C SER A 16 20.848 20.573 24.447 1.00 12.71 C +ATOM 254 O SER A 16 20.070 20.378 25.472 1.00 13.54 O +ATOM 255 CB SER A 16 19.120 21.051 22.741 1.00 15.90 C +ATOM 256 OG SER A 16 19.236 19.605 22.430 1.00 19.61 O +ATOM 257 H SER A 16 21.365 21.417 21.581 1.00 12.00 H +ATOM 258 HA SER A 16 20.097 22.485 23.882 1.00 13.23 H +ATOM 259 HB2 SER A 16 18.298 21.140 23.459 1.00 16.27 H +ATOM 260 HB3 SER A 16 18.906 21.601 21.862 1.00 15.70 H +ATOM 261 HG SER A 16 18.727 19.490 21.620 1.00 19.07 H +ATOM 262 N THR A 17 21.956 19.915 24.279 1.00 12.34 N +ATOM 263 CA THR A 17 22.440 18.943 25.241 1.00 12.98 C +ATOM 264 C THR A 17 23.936 19.195 25.423 1.00 12.89 C +ATOM 265 O THR A 17 24.581 19.663 24.515 1.00 13.19 O +ATOM 266 CB THR A 17 22.158 17.462 24.884 1.00 15.75 C +ATOM 267 OG1 THR A 17 22.940 17.153 23.716 1.00 17.53 O +ATOM 268 CG2 THR A 17 20.725 17.237 24.517 1.00 18.04 C +ATOM 269 H THR A 17 22.506 20.102 23.457 1.00 12.67 H +ATOM 270 HA THR A 17 21.935 19.089 26.182 1.00 13.22 H +ATOM 271 HB THR A 17 22.483 16.835 25.731 1.00 15.24 H +ATOM 272 HG1 THR A 17 22.758 17.763 22.977 1.00 16.75 H +ATOM 273 HG21 THR A 17 20.072 17.539 25.337 1.00 17.65 H +ATOM 274 HG22 THR A 17 20.455 17.766 23.615 1.00 17.49 H +ATOM 275 HG23 THR A 17 20.531 16.146 24.314 1.00 17.81 H +ATOM 276 N SER A 18 24.454 18.889 26.607 1.00 12.52 N +ATOM 277 CA SER A 18 25.847 19.045 26.931 1.00 13.54 C +ATOM 278 C SER A 18 26.737 17.889 26.470 1.00 12.12 C +ATOM 279 O SER A 18 27.937 18.031 26.319 1.00 12.10 O +ATOM 280 CB SER A 18 26.108 19.259 28.453 1.00 17.36 C +ATOM 281 OG SER A 18 25.582 20.584 28.656 1.00 23.94 O +ATOM 282 H SER A 18 23.852 18.496 27.329 1.00 14.06 H +ATOM 283 HA SER A 18 26.229 19.966 26.509 1.00 13.86 H +ATOM 284 HB2 SER A 18 25.582 18.527 29.032 1.00 17.09 H +ATOM 285 HB3 SER A 18 27.161 19.289 28.628 1.00 17.08 H +ATOM 286 HG SER A 18 24.673 20.454 28.983 1.00 22.64 H +ATOM 287 N ALA A 19 26.100 16.722 26.241 1.00 11.95 N +ATOM 288 CA ALA A 19 26.701 15.481 25.857 1.00 12.67 C +ATOM 289 C ALA A 19 25.535 14.465 25.582 1.00 11.83 C +ATOM 290 O ALA A 19 24.428 14.645 25.974 1.00 12.93 O +ATOM 291 CB ALA A 19 27.629 14.920 26.934 1.00 13.21 C +ATOM 292 H ALA A 19 25.097 16.749 26.422 1.00 12.07 H +ATOM 293 HA ALA A 19 27.273 15.554 24.961 1.00 12.99 H +ATOM 294 HB1 ALA A 19 27.438 15.453 27.858 1.00 13.12 H +ATOM 295 HB2 ALA A 19 27.464 13.865 27.084 1.00 13.38 H +ATOM 296 HB3 ALA A 19 28.666 15.027 26.655 1.00 12.99 H +ATOM 297 N ALA A 20 25.942 13.418 24.917 1.00 11.71 N +ATOM 298 CA ALA A 20 24.976 12.317 24.602 1.00 12.75 C +ATOM 299 C ALA A 20 24.598 11.643 25.979 1.00 14.23 C +ATOM 300 O ALA A 20 25.552 11.349 26.692 1.00 16.18 O +ATOM 301 CB ALA A 20 25.733 11.346 23.729 1.00 12.39 C +ATOM 302 H ALA A 20 26.878 13.253 24.611 1.00 12.29 H +ATOM 303 HA ALA A 20 24.134 12.707 24.140 1.00 12.43 H +ATOM 304 HB1 ALA A 20 26.619 10.958 24.196 1.00 11.90 H +ATOM 305 HB2 ALA A 20 25.090 10.502 23.472 1.00 12.43 H +ATOM 306 HB3 ALA A 20 26.012 11.838 22.799 1.00 12.18 H +ATOM 307 N SER A 21 23.359 11.415 26.179 1.00 15.51 N +ATOM 308 CA SER A 21 22.944 10.835 27.519 1.00 17.49 C +ATOM 309 C SER A 21 22.680 9.342 27.564 1.00 16.75 C +ATOM 310 O SER A 21 22.469 8.731 28.639 1.00 17.43 O +ATOM 311 CB SER A 21 21.652 11.587 27.901 1.00 20.70 C +ATOM 312 OG SER A 21 20.696 11.571 26.829 1.00 24.68 O +ATOM 313 H SER A 21 22.631 11.697 25.563 1.00 15.44 H +ATOM 314 HA SER A 21 23.655 11.115 28.248 1.00 17.31 H +ATOM 315 HB2 SER A 21 21.232 11.111 28.782 1.00 21.24 H +ATOM 316 HB3 SER A 21 21.903 12.620 28.100 1.00 20.94 H +ATOM 317 HG SER A 21 20.151 10.791 26.899 1.00 24.05 H +ATOM 318 N SER A 22 22.667 8.711 26.373 1.00 14.63 N +ATOM 319 CA SER A 22 22.410 7.269 26.298 1.00 13.35 C +ATOM 320 C SER A 22 22.956 6.712 24.988 1.00 11.91 C +ATOM 321 O SER A 22 23.301 7.440 24.038 1.00 11.23 O +ATOM 322 CB SER A 22 20.935 6.928 26.406 1.00 14.89 C +ATOM 323 OG SER A 22 20.278 7.097 25.168 1.00 15.58 O +ATOM 324 H SER A 22 22.821 9.234 25.547 1.00 15.70 H +ATOM 325 HA SER A 22 22.876 6.785 27.130 1.00 13.72 H +ATOM 326 HB2 SER A 22 20.840 5.874 26.742 1.00 14.97 H +ATOM 327 HB3 SER A 22 20.452 7.546 27.144 1.00 14.87 H +ATOM 328 HG SER A 22 19.578 6.436 25.121 1.00 16.65 H +ATOM 329 N SER A 23 22.990 5.368 24.963 1.00 11.92 N +ATOM 330 CA SER A 23 23.468 4.698 23.734 1.00 11.52 C +ATOM 331 C SER A 23 22.562 4.970 22.549 1.00 11.31 C +ATOM 332 O SER A 23 23.095 4.719 21.432 1.00 12.66 O +ATOM 333 CB SER A 23 23.621 3.188 23.974 1.00 13.94 C +ATOM 334 OG SER A 23 22.413 2.696 24.277 1.00 17.79 O +ATOM 335 H SER A 23 22.689 4.815 25.712 1.00 12.02 H +ATOM 336 HA SER A 23 24.457 5.029 23.512 1.00 11.51 H +ATOM 337 HB2 SER A 23 24.045 2.740 23.058 1.00 13.99 H +ATOM 338 HB3 SER A 23 24.341 3.064 24.780 1.00 14.04 H +ATOM 339 HG SER A 23 22.064 2.811 25.153 1.00 18.09 H +ATOM 340 N ASN A 24 21.369 5.436 22.679 1.00 10.87 N +ATOM 341 CA ASN A 24 20.468 5.693 21.564 1.00 10.98 C +ATOM 342 C ASN A 24 20.598 7.095 20.931 1.00 9.77 C +ATOM 343 O ASN A 24 19.827 7.385 20.014 1.00 10.11 O +ATOM 344 CB ASN A 24 19.009 5.364 21.857 1.00 15.71 C +ATOM 345 CG ASN A 24 18.802 3.840 21.651 1.00 21.17 C +ATOM 346 OD1 ASN A 24 18.960 3.352 20.508 1.00 24.28 O +ATOM 347 ND2 ASN A 24 18.474 3.167 22.703 1.00 23.72 N +ATOM 348 H ASN A 24 21.000 5.601 23.602 1.00 11.90 H +ATOM 349 HA ASN A 24 20.676 4.994 20.761 1.00 11.30 H +ATOM 350 HB2 ASN A 24 18.723 5.655 22.843 1.00 15.49 H +ATOM 351 HB3 ASN A 24 18.322 5.814 21.155 1.00 15.73 H +ATOM 352 HD21 ASN A 24 18.355 3.602 23.614 1.00 22.41 H +ATOM 353 HD22 ASN A 24 18.318 2.143 22.639 1.00 22.49 H +ATOM 354 N TYR A 25 21.447 7.907 21.507 1.00 8.79 N +ATOM 355 CA TYR A 25 21.563 9.292 21.001 1.00 9.10 C +ATOM 356 C TYR A 25 21.753 9.343 19.494 1.00 8.84 C +ATOM 357 O TYR A 25 21.023 10.063 18.781 1.00 9.02 O +ATOM 358 CB TYR A 25 22.660 10.039 21.790 1.00 8.97 C +ATOM 359 CG TYR A 25 22.883 11.445 21.303 1.00 9.11 C +ATOM 360 CD1 TYR A 25 22.139 12.521 21.821 1.00 9.78 C +ATOM 361 CD2 TYR A 25 23.772 11.705 20.248 1.00 9.19 C +ATOM 362 CE1 TYR A 25 22.355 13.834 21.335 1.00 9.73 C +ATOM 363 CE2 TYR A 25 23.969 13.000 19.762 1.00 9.66 C +ATOM 364 CZ TYR A 25 23.247 14.020 20.299 1.00 8.73 C +ATOM 365 OH TYR A 25 23.459 15.292 19.765 1.00 9.89 O +ATOM 366 H TYR A 25 22.017 7.643 22.271 1.00 9.68 H +ATOM 367 HA TYR A 25 20.645 9.810 21.242 1.00 8.21 H +ATOM 368 HB2 TYR A 25 22.334 10.035 22.841 1.00 9.44 H +ATOM 369 HB3 TYR A 25 23.582 9.490 21.744 1.00 8.75 H +ATOM 370 HD1 TYR A 25 21.437 12.367 22.620 1.00 9.24 H +ATOM 371 HD2 TYR A 25 24.346 10.885 19.827 1.00 9.35 H +ATOM 372 HE1 TYR A 25 21.781 14.648 21.750 1.00 9.33 H +ATOM 373 HE2 TYR A 25 24.680 13.176 18.954 1.00 9.78 H +ATOM 374 HH TYR A 25 22.622 15.747 19.679 1.00 9.28 H +ATOM 375 N CYS A 26 22.752 8.646 19.021 1.00 8.12 N +ATOM 376 CA CYS A 26 23.058 8.670 17.576 1.00 7.94 C +ATOM 377 C CYS A 26 21.889 8.192 16.739 1.00 8.29 C +ATOM 378 O CYS A 26 21.477 8.790 15.724 1.00 9.10 O +ATOM 379 CB CYS A 26 24.326 7.963 17.205 1.00 8.67 C +ATOM 380 SG CYS A 26 25.791 8.872 17.750 1.00 8.73 S +ATOM 381 H CYS A 26 23.360 8.096 19.591 1.00 8.64 H +ATOM 382 HA CYS A 26 23.248 9.715 17.335 1.00 7.15 H +ATOM 383 HB2 CYS A 26 24.387 6.986 17.633 1.00 8.74 H +ATOM 384 HB3 CYS A 26 24.402 7.889 16.139 1.00 8.91 H +ATOM 385 N ASN A 27 21.300 7.068 17.159 1.00 8.67 N +ATOM 386 CA ASN A 27 20.130 6.544 16.382 1.00 9.59 C +ATOM 387 C ASN A 27 19.032 7.576 16.218 1.00 10.23 C +ATOM 388 O ASN A 27 18.458 7.741 15.143 1.00 11.44 O +ATOM 389 CB ASN A 27 19.597 5.281 17.048 1.00 11.14 C +ATOM 390 CG ASN A 27 20.553 4.103 16.816 1.00 12.70 C +ATOM 391 OD1 ASN A 27 21.388 4.078 15.966 1.00 12.16 O +ATOM 392 ND2 ASN A 27 20.400 3.139 17.728 1.00 15.77 N +ATOM 393 H ASN A 27 21.601 6.574 17.957 1.00 8.97 H +ATOM 394 HA ASN A 27 20.482 6.187 15.453 1.00 9.70 H +ATOM 395 HB2 ASN A 27 19.507 5.414 18.132 1.00 11.15 H +ATOM 396 HB3 ASN A 27 18.616 5.039 16.708 1.00 11.41 H +ATOM 397 HD21 ASN A 27 19.713 3.174 18.467 1.00 15.74 H +ATOM 398 HD22 ASN A 27 21.005 2.295 17.678 1.00 15.34 H +ATOM 399 N GLN A 28 18.703 8.227 17.343 1.00 9.49 N +ATOM 400 CA GLN A 28 17.648 9.227 17.412 1.00 11.26 C +ATOM 401 C GLN A 28 17.958 10.484 16.593 1.00 9.94 C +ATOM 402 O GLN A 28 17.132 10.925 15.764 1.00 10.24 O +ATOM 403 CB GLN A 28 17.368 9.617 18.876 1.00 15.90 C +ATOM 404 CG GLN A 28 16.895 8.466 19.725 1.00 23.97 C +ATOM 405 CD GLN A 28 17.048 8.675 21.210 1.00 29.69 C +ATOM 406 OE1 GLN A 28 17.787 9.537 21.759 1.00 33.33 O +ATOM 407 NE2 GLN A 28 16.321 7.823 22.004 1.00 32.77 N +ATOM 408 H GLN A 28 19.181 8.042 18.205 1.00 9.96 H +ATOM 409 HA GLN A 28 16.722 8.821 17.060 1.00 11.41 H +ATOM 410 HB2 GLN A 28 18.245 10.080 19.294 1.00 15.95 H +ATOM 411 HB3 GLN A 28 16.557 10.380 18.833 1.00 15.93 H +ATOM 412 HG2 GLN A 28 15.821 8.253 19.526 1.00 23.75 H +ATOM 413 HG3 GLN A 28 17.384 7.532 19.482 1.00 23.68 H +ATOM 414 HE21 GLN A 28 16.368 7.903 22.993 1.00 31.33 H +ATOM 415 HE22 GLN A 28 15.733 7.137 21.541 1.00 31.47 H +ATOM 416 N MET A 29 19.163 10.980 16.789 1.00 8.85 N +ATOM 417 CA MET A 29 19.577 12.206 16.105 1.00 8.74 C +ATOM 418 C MET A 29 19.845 12.085 14.635 1.00 8.25 C +ATOM 419 O MET A 29 19.525 12.986 13.822 1.00 9.22 O +ATOM 420 CB MET A 29 20.800 12.797 16.793 1.00 10.90 C +ATOM 421 CG MET A 29 20.503 13.307 18.136 1.00 15.07 C +ATOM 422 SD MET A 29 19.430 14.734 18.210 1.00 18.46 S +ATOM 423 CE MET A 29 20.422 15.980 17.500 1.00 20.03 C +ATOM 424 H MET A 29 19.798 10.609 17.456 1.00 9.46 H +ATOM 425 HA MET A 29 18.800 12.938 16.254 1.00 8.94 H +ATOM 426 HB2 MET A 29 21.589 12.026 16.856 1.00 11.11 H +ATOM 427 HB3 MET A 29 21.207 13.593 16.176 1.00 11.26 H +ATOM 428 HG2 MET A 29 20.090 12.677 18.913 1.00 14.81 H +ATOM 429 HG3 MET A 29 21.448 13.750 18.438 1.00 15.16 H +ATOM 430 HE1 MET A 29 21.435 15.910 17.856 1.00 19.51 H +ATOM 431 HE2 MET A 29 20.421 15.770 16.416 1.00 19.82 H +ATOM 432 HE3 MET A 29 19.943 16.929 17.692 1.00 19.64 H +ATOM 433 N MET A 30 20.424 10.999 14.205 1.00 8.42 N +ATOM 434 CA MET A 30 20.698 10.789 12.800 1.00 9.02 C +ATOM 435 C MET A 30 19.375 10.784 12.008 1.00 9.78 C +ATOM 436 O MET A 30 19.228 11.272 10.880 1.00 10.89 O +ATOM 437 CB MET A 30 21.484 9.510 12.617 1.00 8.96 C +ATOM 438 CG MET A 30 22.920 9.584 13.114 1.00 10.17 C +ATOM 439 SD MET A 30 23.991 10.740 12.258 1.00 10.13 S +ATOM 440 CE MET A 30 24.332 9.969 10.688 1.00 9.58 C +ATOM 441 H MET A 30 20.682 10.249 14.832 1.00 8.54 H +ATOM 442 HA MET A 30 21.303 11.596 12.435 1.00 9.05 H +ATOM 443 HB2 MET A 30 21.000 8.696 13.167 1.00 9.25 H +ATOM 444 HB3 MET A 30 21.486 9.266 11.564 1.00 9.38 H +ATOM 445 HG2 MET A 30 23.017 10.003 14.136 1.00 10.19 H +ATOM 446 HG3 MET A 30 23.413 8.626 13.073 1.00 10.17 H +ATOM 447 HE1 MET A 30 23.384 9.686 10.261 1.00 9.36 H +ATOM 448 HE2 MET A 30 24.804 10.723 10.079 1.00 9.58 H +ATOM 449 HE3 MET A 30 24.955 9.115 10.885 1.00 9.01 H +ATOM 450 N LYS A 31 18.365 10.170 12.664 1.00 9.63 N +ATOM 451 CA LYS A 31 17.038 10.097 12.030 1.00 10.35 C +ATOM 452 C LYS A 31 16.349 11.430 12.041 1.00 10.06 C +ATOM 453 O LYS A 31 15.815 11.890 11.003 1.00 10.83 O +ATOM 454 CB LYS A 31 16.166 9.049 12.723 1.00 14.48 C +ATOM 455 CG LYS A 31 14.987 8.781 11.758 1.00 20.51 C +ATOM 456 CD LYS A 31 14.017 7.764 12.258 1.00 25.84 C +ATOM 457 CE LYS A 31 12.966 7.502 11.131 0.50 27.59 C +ATOM 458 NZ LYS A 31 11.610 7.822 11.651 0.50 29.31 N +ATOM 459 H LYS A 31 18.476 9.776 13.566 1.00 9.76 H +ATOM 460 HA LYS A 31 17.175 9.779 11.017 1.00 11.00 H +ATOM 461 HB2 LYS A 31 16.703 8.133 12.877 1.00 14.69 H +ATOM 462 HB3 LYS A 31 15.796 9.478 13.642 1.00 14.66 H +ATOM 463 HG2 LYS A 31 14.434 9.709 11.535 1.00 20.17 H +ATOM 464 HG3 LYS A 31 15.382 8.440 10.787 1.00 20.21 H +ATOM 465 HD2 LYS A 31 14.483 6.814 12.492 1.00 25.49 H +ATOM 466 HD3 LYS A 31 13.476 8.118 13.137 1.00 25.62 H +ATOM 467 HE2 LYS A 31 13.119 8.065 10.238 0.50 27.67 H +ATOM 468 HE3 LYS A 31 12.986 6.432 10.920 0.50 27.66 H +ATOM 469 HZ1 LYS A 31 11.415 7.232 12.466 0.50 29.32 H +ATOM 470 HZ2 LYS A 31 11.531 8.813 11.868 0.50 29.17 H +ATOM 471 HZ3 LYS A 31 10.878 7.590 10.965 0.50 29.26 H +ATOM 472 N SER A 32 16.295 12.097 13.232 1.00 10.17 N +ATOM 473 CA SER A 32 15.601 13.378 13.388 1.00 10.78 C +ATOM 474 C SER A 32 16.153 14.489 12.534 1.00 10.56 C +ATOM 475 O SER A 32 15.342 15.388 12.086 1.00 11.27 O +ATOM 476 CB ASER A 32 15.404 13.816 14.849 0.67 13.41 C +ATOM 477 CB BSER A 32 15.579 13.803 14.859 0.33 11.55 C +ATOM 478 OG ASER A 32 16.640 14.208 15.316 0.67 15.41 O +ATOM 479 OG BSER A 32 14.705 13.027 15.639 0.33 11.95 O +ATOM 480 H SER A 32 16.712 11.681 14.033 1.00 10.30 H +ATOM 481 HA SER A 32 14.566 13.207 13.098 1.00 11.48 H +ATOM 482 HB2ASER A 32 14.643 14.600 14.900 0.67 12.81 H +ATOM 483 HB2BSER A 32 16.597 13.765 15.258 0.33 11.46 H +ATOM 484 HB3ASER A 32 15.042 12.956 15.409 0.67 13.26 H +ATOM 485 HB3BSER A 32 15.233 14.839 14.898 0.33 11.40 H +ATOM 486 HG ASER A 32 16.660 14.285 16.273 0.67 15.33 H +ATOM 487 HG BSER A 32 13.816 13.383 15.570 0.33 11.74 H +ATOM 488 N ARG A 33 17.436 14.475 12.290 1.00 9.29 N +ATOM 489 CA ARG A 33 18.079 15.473 11.443 1.00 9.76 C +ATOM 490 C ARG A 33 18.049 15.180 9.962 1.00 9.93 C +ATOM 491 O ARG A 33 18.660 15.859 9.155 1.00 10.67 O +ATOM 492 CB ARG A 33 19.472 15.735 11.997 1.00 8.96 C +ATOM 493 CG ARG A 33 19.534 16.325 13.407 1.00 8.68 C +ATOM 494 CD ARG A 33 18.953 17.691 13.482 1.00 9.09 C +ATOM 495 NE ARG A 33 19.055 18.307 14.784 1.00 10.69 N +ATOM 496 CZ ARG A 33 20.166 18.916 15.251 1.00 10.73 C +ATOM 497 NH1 ARG A 33 21.191 19.136 14.483 1.00 9.65 N +ATOM 498 NH2 ARG A 33 20.150 19.360 16.504 1.00 11.01 N +ATOM 499 H ARG A 33 18.030 13.757 12.645 1.00 10.09 H +ATOM 500 HA ARG A 33 17.506 16.388 11.566 1.00 9.82 H +ATOM 501 HB2 ARG A 33 19.981 14.772 12.031 1.00 8.94 H +ATOM 502 HB3 ARG A 33 20.046 16.316 11.292 1.00 8.89 H +ATOM 503 HG2 ARG A 33 19.042 15.697 14.089 1.00 8.82 H +ATOM 504 HG3 ARG A 33 20.547 16.315 13.750 1.00 8.32 H +ATOM 505 HD2 ARG A 33 19.309 18.318 12.708 1.00 8.91 H +ATOM 506 HD3 ARG A 33 17.896 17.631 13.288 1.00 9.40 H +ATOM 507 HE ARG A 33 18.295 18.183 15.457 1.00 12.30 H +ATOM 508 HH11 ARG A 33 22.013 19.626 14.850 1.00 10.39 H +ATOM 509 HH12 ARG A 33 21.260 18.846 13.519 1.00 10.31 H +ATOM 510 HH21 ARG A 33 19.373 19.219 17.123 1.00 11.91 H +ATOM 511 HH22 ARG A 33 20.972 19.839 16.851 1.00 10.82 H +ATOM 512 N ASN A 34 17.347 14.083 9.616 1.00 10.07 N +ATOM 513 CA ASN A 34 17.176 13.714 8.174 1.00 11.18 C +ATOM 514 C ASN A 34 18.407 13.291 7.496 1.00 11.88 C +ATOM 515 O ASN A 34 18.577 13.381 6.252 1.00 13.71 O +ATOM 516 CB AASN A 34 16.416 14.887 7.517 0.33 12.52 C +ATOM 517 CB BASN A 34 16.310 14.758 7.413 0.67 11.83 C +ATOM 518 CG AASN A 34 15.451 14.516 6.431 0.33 13.52 C +ATOM 519 CG BASN A 34 14.965 15.039 8.001 0.67 11.66 C +ATOM 520 OD1AASN A 34 14.721 13.530 6.603 0.33 15.06 O +ATOM 521 OD1BASN A 34 14.593 16.254 8.165 0.67 15.17 O +ATOM 522 ND2AASN A 34 15.433 15.316 5.374 0.33 14.14 N +ATOM 523 ND2BASN A 34 14.211 14.071 8.338 0.67 12.09 N +ATOM 524 H ASN A 34 16.832 13.536 10.234 1.00 9.93 H +ATOM 525 HA ASN A 34 16.486 12.903 8.148 1.00 11.31 H +ATOM 526 HB2AASN A 34 15.871 15.429 8.286 0.33 12.36 H +ATOM 527 HB2BASN A 34 16.884 15.666 7.309 0.67 11.38 H +ATOM 528 HB3AASN A 34 17.158 15.589 7.129 0.33 12.28 H +ATOM 529 HB3BASN A 34 16.182 14.378 6.386 0.67 11.61 H +ATOM 530 HD21AASN A 34 14.794 15.155 4.603 0.33 14.00 H +ATOM 531 HD21BASN A 34 13.257 14.227 8.755 0.67 12.68 H +ATOM 532 HD22AASN A 34 16.048 16.115 5.301 0.33 13.92 H +ATOM 533 HD22BASN A 34 14.425 13.097 8.218 0.67 12.42 H +ATOM 534 N LEU A 35 19.317 12.710 8.312 1.00 11.16 N +ATOM 535 CA LEU A 35 20.608 12.205 7.775 1.00 12.28 C +ATOM 536 C LEU A 35 20.524 10.827 7.165 1.00 13.26 C +ATOM 537 O LEU A 35 21.457 10.485 6.382 1.00 15.70 O +ATOM 538 CB LEU A 35 21.725 12.353 8.816 1.00 11.32 C +ATOM 539 CG LEU A 35 21.804 13.814 9.368 1.00 13.29 C +ATOM 540 CD1 LEU A 35 22.855 13.879 10.436 1.00 13.91 C +ATOM 541 CD2 LEU A 35 21.953 14.886 8.349 1.00 14.73 C +ATOM 542 H LEU A 35 19.170 12.613 9.281 1.00 11.74 H +ATOM 543 HA LEU A 35 20.882 12.886 6.959 1.00 12.16 H +ATOM 544 HB2 LEU A 35 21.517 11.707 9.663 1.00 11.36 H +ATOM 545 HB3 LEU A 35 22.686 12.123 8.385 1.00 11.29 H +ATOM 546 HG LEU A 35 20.838 14.009 9.871 1.00 13.06 H +ATOM 547 HD11 LEU A 35 22.787 13.014 11.099 1.00 13.45 H +ATOM 548 HD12 LEU A 35 23.834 13.901 9.967 1.00 13.25 H +ATOM 549 HD13 LEU A 35 22.670 14.776 11.030 1.00 13.45 H +ATOM 550 HD21 LEU A 35 21.118 14.956 7.641 1.00 14.35 H +ATOM 551 HD22 LEU A 35 21.977 15.877 8.860 1.00 14.25 H +ATOM 552 HD23 LEU A 35 22.876 14.787 7.779 1.00 14.52 H +ATOM 553 N THR A 36 19.469 10.148 7.460 1.00 11.95 N +ATOM 554 CA THR A 36 19.270 8.753 6.966 1.00 12.97 C +ATOM 555 C THR A 36 18.132 8.598 5.964 1.00 14.23 C +ATOM 556 O THR A 36 17.629 7.482 5.787 1.00 15.20 O +ATOM 557 CB THR A 36 19.028 7.886 8.215 1.00 13.44 C +ATOM 558 OG1 THR A 36 17.832 8.105 8.839 1.00 16.47 O +ATOM 559 CG2 THR A 36 20.210 8.003 9.191 1.00 15.81 C +ATOM 560 H THR A 36 18.773 10.455 8.094 1.00 12.76 H +ATOM 561 HA THR A 36 20.201 8.432 6.615 1.00 13.08 H +ATOM 562 HB THR A 36 19.033 6.833 7.818 1.00 14.26 H +ATOM 563 HG1 THR A 36 17.440 8.957 8.977 1.00 16.07 H +ATOM 564 HG21 THR A 36 21.181 7.928 8.667 1.00 14.60 H +ATOM 565 HG22 THR A 36 20.195 9.009 9.639 1.00 15.30 H +ATOM 566 HG23 THR A 36 20.114 7.281 9.976 1.00 15.19 H +ATOM 567 N LYS A 37 17.763 9.730 5.392 1.00 15.58 N +ATOM 568 CA LYS A 37 16.571 9.740 4.494 1.00 16.62 C +ATOM 569 C LYS A 37 16.811 8.943 3.236 1.00 14.65 C +ATOM 570 O LYS A 37 15.866 8.117 2.900 1.00 16.23 O +ATOM 571 CB LYS A 37 16.168 11.204 4.251 1.00 20.85 C +ATOM 572 CG LYS A 37 14.965 11.336 3.312 1.00 26.92 C +ATOM 573 CD LYS A 37 14.567 12.780 3.075 1.00 31.31 C +ATOM 574 CE LYS A 37 15.523 13.564 2.203 1.00 34.60 C +ATOM 575 NZ LYS A 37 15.099 13.438 0.760 1.00 36.89 N +ATOM 576 H LYS A 37 18.165 10.616 5.591 1.00 15.07 H +ATOM 577 HA LYS A 37 15.759 9.296 5.048 1.00 16.24 H +ATOM 578 HB2 LYS A 37 15.917 11.680 5.196 1.00 21.00 H +ATOM 579 HB3 LYS A 37 17.033 11.689 3.798 1.00 20.80 H +ATOM 580 HG2 LYS A 37 15.154 10.862 2.338 1.00 26.76 H +ATOM 581 HG3 LYS A 37 14.100 10.821 3.748 1.00 26.73 H +ATOM 582 HD2 LYS A 37 13.599 12.764 2.516 1.00 31.25 H +ATOM 583 HD3 LYS A 37 14.344 13.213 4.031 1.00 31.14 H +ATOM 584 HE2 LYS A 37 15.522 14.624 2.441 1.00 34.63 H +ATOM 585 HE3 LYS A 37 16.541 13.196 2.227 1.00 34.52 H +ATOM 586 HZ1 LYS A 37 14.892 12.471 0.503 1.00 36.68 H +ATOM 587 HZ2 LYS A 37 14.248 13.976 0.624 1.00 36.59 H +ATOM 588 HZ3 LYS A 37 15.868 13.760 0.165 1.00 36.60 H +ATOM 589 N ASP A 38 17.873 9.175 2.575 1.00 13.33 N +ATOM 590 CA ASP A 38 18.201 8.519 1.294 1.00 13.99 C +ATOM 591 C ASP A 38 19.056 7.285 1.414 1.00 12.24 C +ATOM 592 O ASP A 38 18.973 6.355 0.561 1.00 11.74 O +ATOM 593 CB ASP A 38 18.834 9.419 0.304 1.00 18.91 C +ATOM 594 CG ASP A 38 17.935 10.564 -0.104 1.00 25.71 C +ATOM 595 OD1 ASP A 38 18.453 11.703 -0.053 1.00 30.14 O +ATOM 596 OD2 ASP A 38 16.681 10.289 -0.421 1.00 27.80 O +ATOM 597 H ASP A 38 18.550 9.857 2.870 1.00 15.64 H +ATOM 598 HA ASP A 38 17.241 8.222 0.858 1.00 14.40 H +ATOM 599 HB2 ASP A 38 19.732 9.880 0.731 1.00 19.37 H +ATOM 600 HB3 ASP A 38 19.209 8.918 -0.579 1.00 19.34 H +ATOM 601 N ARG A 39 19.889 7.279 2.457 1.00 10.95 N +ATOM 602 CA ARG A 39 20.841 6.198 2.738 1.00 9.98 C +ATOM 603 C ARG A 39 21.378 6.382 4.168 1.00 9.58 C +ATOM 604 O ARG A 39 21.212 7.431 4.737 1.00 10.36 O +ATOM 605 CB ARG A 39 22.036 6.323 1.747 1.00 13.90 C +ATOM 606 CG ARG A 39 22.820 7.630 1.934 1.00 19.47 C +ATOM 607 CD ARG A 39 23.627 8.111 0.806 1.00 26.71 C +ATOM 608 NE ARG A 39 24.574 9.166 1.261 1.00 32.87 N +ATOM 609 CZ ARG A 39 25.744 8.970 1.875 1.00 34.99 C +ATOM 610 NH1 ARG A 39 26.189 7.780 2.276 1.00 35.76 N +ATOM 611 NH2 ARG A 39 26.545 10.033 2.061 1.00 36.36 N +ATOM 612 H ARG A 39 19.886 8.092 3.030 1.00 11.70 H +ATOM 613 HA ARG A 39 20.424 5.250 2.607 1.00 10.24 H +ATOM 614 HB2 ARG A 39 22.663 5.480 1.877 1.00 14.10 H +ATOM 615 HB3 ARG A 39 21.633 6.236 0.752 1.00 14.46 H +ATOM 616 HG2 ARG A 39 22.193 8.413 2.261 1.00 19.66 H +ATOM 617 HG3 ARG A 39 23.475 7.493 2.792 1.00 19.74 H +ATOM 618 HD2 ARG A 39 24.123 7.368 0.270 1.00 26.73 H +ATOM 619 HD3 ARG A 39 22.965 8.592 0.103 1.00 26.58 H +ATOM 620 HE ARG A 39 24.350 10.123 1.010 1.00 33.21 H +ATOM 621 HH11 ARG A 39 25.638 6.940 2.149 1.00 35.74 H +ATOM 622 HH12 ARG A 39 27.097 7.701 2.715 1.00 35.45 H +ATOM 623 HH21 ARG A 39 26.269 10.960 1.784 1.00 35.79 H +ATOM 624 HH22 ARG A 39 27.439 9.902 2.515 1.00 35.59 H +ATOM 625 N CYS A 40 21.980 5.353 4.694 1.00 9.39 N +ATOM 626 CA CYS A 40 22.590 5.535 6.039 1.00 10.48 C +ATOM 627 C CYS A 40 23.927 6.261 5.810 1.00 11.90 C +ATOM 628 O CYS A 40 24.831 5.695 5.190 1.00 14.02 O +ATOM 629 CB CYS A 40 22.819 4.207 6.711 1.00 10.88 C +ATOM 630 SG CYS A 40 21.387 3.103 6.806 1.00 10.58 S +ATOM 631 H CYS A 40 22.151 4.493 4.223 1.00 9.45 H +ATOM 632 HA CYS A 40 21.967 6.118 6.658 1.00 10.36 H +ATOM 633 HB2 CYS A 40 23.572 3.658 6.156 1.00 10.87 H +ATOM 634 HB3 CYS A 40 23.148 4.353 7.719 1.00 10.73 H +ATOM 635 N LYS A 41 24.013 7.430 6.345 1.00 13.71 N +ATOM 636 CA LYS A 41 25.338 8.178 6.328 1.00 14.33 C +ATOM 637 C LYS A 41 26.247 7.403 7.250 1.00 13.87 C +ATOM 638 O LYS A 41 25.814 7.129 8.415 1.00 14.03 O +ATOM 639 CB LYS A 41 25.033 9.562 6.884 1.00 18.30 C +ATOM 640 CG LYS A 41 26.197 10.481 6.907 1.00 22.51 C +ATOM 641 CD LYS A 41 26.024 11.910 7.416 1.00 26.35 C +ATOM 642 CE LYS A 41 27.199 12.781 6.952 1.00 29.84 C +ATOM 643 NZ LYS A 41 27.808 13.648 7.984 1.00 30.76 N +ATOM 644 H LYS A 41 23.297 7.856 6.898 1.00 13.13 H +ATOM 645 HA LYS A 41 25.659 8.249 5.334 1.00 14.75 H +ATOM 646 HB2 LYS A 41 24.249 9.969 6.215 1.00 18.38 H +ATOM 647 HB3 LYS A 41 24.604 9.462 7.887 1.00 18.38 H +ATOM 648 HG2 LYS A 41 27.029 10.055 7.492 1.00 22.51 H +ATOM 649 HG3 LYS A 41 26.615 10.535 5.859 1.00 22.76 H +ATOM 650 HD2 LYS A 41 25.104 12.324 7.000 1.00 26.43 H +ATOM 651 HD3 LYS A 41 25.975 11.940 8.491 1.00 26.35 H +ATOM 652 HE2 LYS A 41 28.036 12.179 6.574 1.00 29.68 H +ATOM 653 HE3 LYS A 41 26.865 13.430 6.132 1.00 29.56 H +ATOM 654 HZ1 LYS A 41 27.094 14.223 8.430 1.00 28.65 H +ATOM 655 HZ2 LYS A 41 28.339 13.067 8.639 1.00 30.33 H +ATOM 656 HZ3 LYS A 41 28.480 14.317 7.573 1.00 30.48 H +ATOM 657 N PRO A 42 27.410 6.971 6.934 1.00 13.40 N +ATOM 658 CA PRO A 42 28.249 6.149 7.703 1.00 13.31 C +ATOM 659 C PRO A 42 28.862 6.667 9.004 1.00 13.33 C +ATOM 660 O PRO A 42 29.057 5.895 9.971 1.00 13.62 O +ATOM 661 CB PRO A 42 29.334 5.604 6.788 1.00 14.92 C +ATOM 662 CG PRO A 42 29.423 6.646 5.714 1.00 15.89 C +ATOM 663 CD PRO A 42 28.016 7.142 5.532 1.00 14.59 C +ATOM 664 HA PRO A 42 27.678 5.337 8.125 1.00 13.94 H +ATOM 665 HB2 PRO A 42 30.210 5.411 7.199 1.00 14.77 H +ATOM 666 HB3 PRO A 42 29.048 4.653 6.402 1.00 15.15 H +ATOM 667 HG2 PRO A 42 29.970 7.349 5.984 1.00 15.92 H +ATOM 668 HG3 PRO A 42 29.805 6.250 4.784 1.00 15.86 H +ATOM 669 HD2 PRO A 42 27.975 8.143 5.203 1.00 14.44 H +ATOM 670 HD3 PRO A 42 27.395 6.549 4.877 1.00 14.67 H +ATOM 671 N VAL A 43 29.144 7.950 8.985 1.00 11.25 N +ATOM 672 CA VAL A 43 29.768 8.615 10.125 1.00 11.41 C +ATOM 673 C VAL A 43 29.222 10.041 10.234 1.00 10.32 C +ATOM 674 O VAL A 43 28.971 10.659 9.200 1.00 11.83 O +ATOM 675 CB AVAL A 43 31.307 8.774 9.974 0.40 12.20 C +ATOM 676 CB BVAL A 43 31.309 8.608 10.046 0.60 12.60 C +ATOM 677 CG1AVAL A 43 32.004 9.181 11.296 0.40 12.62 C +ATOM 678 CG1BVAL A 43 31.889 7.217 10.242 0.60 13.63 C +ATOM 679 CG2AVAL A 43 32.047 7.659 9.290 0.40 12.59 C +ATOM 680 CG2BVAL A 43 31.800 9.333 8.827 0.60 12.67 C +ATOM 681 H VAL A 43 28.986 8.504 8.165 1.00 11.98 H +ATOM 682 HA VAL A 43 29.579 8.061 10.997 1.00 11.62 H +ATOM 683 HB AVAL A 43 31.410 9.651 9.295 0.40 12.03 H +ATOM 684 HB BVAL A 43 31.611 9.224 10.920 0.60 12.97 H +ATOM 685 HG11AVAL A 43 31.773 8.549 12.114 0.40 12.41 H +ATOM 686 HG11BVAL A 43 31.564 6.493 9.527 0.60 13.41 H +ATOM 687 HG12AVAL A 43 33.060 9.234 11.167 0.40 12.56 H +ATOM 688 HG12BVAL A 43 32.958 7.240 10.232 0.60 13.58 H +ATOM 689 HG13AVAL A 43 31.715 10.184 11.568 0.40 12.38 H +ATOM 690 HG13BVAL A 43 31.643 6.838 11.226 0.60 13.51 H +ATOM 691 HG21AVAL A 43 31.674 7.510 8.280 0.40 12.60 H +ATOM 692 HG21BVAL A 43 31.281 9.034 7.932 0.60 12.71 H +ATOM 693 HG22AVAL A 43 33.102 7.860 9.181 0.40 12.55 H +ATOM 694 HG22BVAL A 43 31.639 10.405 8.920 0.60 12.44 H +ATOM 695 HG23AVAL A 43 31.938 6.718 9.799 0.40 12.59 H +ATOM 696 HG23BVAL A 43 32.854 9.200 8.651 0.60 12.69 H +ATOM 697 N ASN A 44 29.144 10.488 11.482 1.00 8.69 N +ATOM 698 CA ASN A 44 28.742 11.871 11.687 1.00 8.24 C +ATOM 699 C ASN A 44 29.223 12.309 13.102 1.00 8.94 C +ATOM 700 O ASN A 44 29.349 11.464 13.973 1.00 11.02 O +ATOM 701 CB ASN A 44 27.269 12.059 11.453 1.00 8.72 C +ATOM 702 CG ASN A 44 26.865 13.523 11.383 1.00 10.65 C +ATOM 703 OD1 ASN A 44 27.475 14.261 10.595 1.00 13.81 O +ATOM 704 ND2 ASN A 44 25.953 13.986 12.242 1.00 10.34 N +ATOM 705 H ASN A 44 29.405 9.903 12.240 1.00 9.81 H +ATOM 706 HA ASN A 44 29.219 12.487 10.960 1.00 8.12 H +ATOM 707 HB2 ASN A 44 26.906 11.553 10.571 1.00 8.67 H +ATOM 708 HB3 ASN A 44 26.735 11.611 12.298 1.00 8.57 H +ATOM 709 HD21 ASN A 44 25.678 14.960 12.222 1.00 10.59 H +ATOM 710 HD22 ASN A 44 25.518 13.320 12.847 1.00 10.86 H +ATOM 711 N THR A 45 29.438 13.580 13.256 1.00 8.39 N +ATOM 712 CA THR A 45 29.822 14.193 14.539 1.00 8.68 C +ATOM 713 C THR A 45 28.821 15.312 14.881 1.00 8.56 C +ATOM 714 O THR A 45 28.516 16.139 14.018 1.00 9.16 O +ATOM 715 CB THR A 45 31.234 14.824 14.507 1.00 10.26 C +ATOM 716 OG1 THR A 45 32.123 13.793 14.091 1.00 11.67 O +ATOM 717 CG2 THR A 45 31.706 15.349 15.862 1.00 11.34 C +ATOM 718 H THR A 45 29.306 14.252 12.511 1.00 9.05 H +ATOM 719 HA THR A 45 29.806 13.452 15.272 1.00 8.64 H +ATOM 720 HB THR A 45 31.245 15.629 13.756 1.00 10.11 H +ATOM 721 HG1 THR A 45 32.171 13.058 14.735 1.00 11.11 H +ATOM 722 HG21 THR A 45 31.454 14.710 16.673 1.00 10.91 H +ATOM 723 HG22 THR A 45 32.811 15.491 15.872 1.00 11.18 H +ATOM 724 HG23 THR A 45 31.258 16.337 16.013 1.00 10.43 H +ATOM 725 N PHE A 46 28.345 15.285 16.086 1.00 7.62 N +ATOM 726 CA PHE A 46 27.506 16.355 16.675 1.00 7.79 C +ATOM 727 C PHE A 46 28.386 17.153 17.714 1.00 8.04 C +ATOM 728 O PHE A 46 29.172 16.576 18.447 1.00 8.49 O +ATOM 729 CB PHE A 46 26.255 15.832 17.366 1.00 8.02 C +ATOM 730 CG PHE A 46 25.273 15.268 16.363 1.00 8.47 C +ATOM 731 CD1 PHE A 46 24.411 16.118 15.698 1.00 10.22 C +ATOM 732 CD2 PHE A 46 25.229 13.916 16.143 1.00 8.79 C +ATOM 733 CE1 PHE A 46 23.518 15.587 14.733 1.00 10.60 C +ATOM 734 CE2 PHE A 46 24.316 13.347 15.269 1.00 10.90 C +ATOM 735 CZ PHE A 46 23.469 14.218 14.549 1.00 10.62 C +ATOM 736 H PHE A 46 28.671 14.614 16.778 1.00 8.35 H +ATOM 737 HA PHE A 46 27.168 16.998 15.947 1.00 7.46 H +ATOM 738 HB2 PHE A 46 26.550 15.078 18.089 1.00 7.69 H +ATOM 739 HB3 PHE A 46 25.814 16.612 17.951 1.00 7.89 H +ATOM 740 HD1 PHE A 46 24.461 17.135 15.839 1.00 9.43 H +ATOM 741 HD2 PHE A 46 25.889 13.258 16.706 1.00 9.35 H +ATOM 742 HE1 PHE A 46 22.861 16.223 14.225 1.00 10.10 H +ATOM 743 HE2 PHE A 46 24.268 12.345 15.082 1.00 10.23 H +ATOM 744 HZ PHE A 46 22.782 13.806 13.857 1.00 11.00 H +ATOM 745 N VAL A 47 28.186 18.468 17.696 1.00 8.13 N +ATOM 746 CA VAL A 47 28.924 19.368 18.598 1.00 7.95 C +ATOM 747 C VAL A 47 27.947 19.953 19.642 1.00 8.02 C +ATOM 748 O VAL A 47 26.953 20.590 19.282 1.00 9.28 O +ATOM 749 CB VAL A 47 29.664 20.411 17.799 1.00 8.87 C +ATOM 750 CG1 VAL A 47 30.491 21.369 18.681 1.00 10.17 C +ATOM 751 CG2 VAL A 47 30.479 19.841 16.631 1.00 9.87 C +ATOM 752 H VAL A 47 27.532 18.888 17.073 1.00 8.51 H +ATOM 753 HA VAL A 47 29.668 18.800 19.120 1.00 8.31 H +ATOM 754 HB VAL A 47 28.853 20.997 17.339 1.00 8.95 H +ATOM 755 HG11 VAL A 47 29.918 21.854 19.428 1.00 10.00 H +ATOM 756 HG12 VAL A 47 31.314 20.856 19.118 1.00 9.70 H +ATOM 757 HG13 VAL A 47 30.951 22.145 18.086 1.00 9.49 H +ATOM 758 HG21 VAL A 47 30.512 18.769 16.617 1.00 9.83 H +ATOM 759 HG22 VAL A 47 30.102 20.173 15.676 1.00 10.02 H +ATOM 760 HG23 VAL A 47 31.507 20.173 16.643 1.00 10.18 H +ATOM 761 N HIS A 48 28.291 19.782 20.897 1.00 7.63 N +ATOM 762 CA HIS A 48 27.462 20.244 22.000 1.00 9.13 C +ATOM 763 C HIS A 48 27.905 21.560 22.613 1.00 10.00 C +ATOM 764 O HIS A 48 28.375 21.602 23.790 1.00 11.67 O +ATOM 765 CB HIS A 48 27.420 19.144 23.067 1.00 8.79 C +ATOM 766 CG HIS A 48 26.946 17.810 22.592 1.00 8.32 C +ATOM 767 ND1 HIS A 48 25.643 17.561 22.425 1.00 12.34 N +ATOM 768 CD2 HIS A 48 27.677 16.689 22.314 1.00 9.89 C +ATOM 769 CE1 HIS A 48 25.579 16.284 22.004 1.00 12.46 C +ATOM 770 NE2 HIS A 48 26.781 15.748 21.899 1.00 10.99 N +ATOM 771 H HIS A 48 29.115 19.250 21.131 1.00 8.10 H +ATOM 772 HA HIS A 48 26.486 20.395 21.644 1.00 9.27 H +ATOM 773 HB2 HIS A 48 28.482 18.996 23.393 1.00 8.79 H +ATOM 774 HB3 HIS A 48 26.908 19.497 23.927 1.00 8.60 H +ATOM 775 HD1 HIS A 48 24.818 18.170 22.555 1.00 11.12 H +ATOM 776 HD2 HIS A 48 28.740 16.511 22.327 1.00 10.38 H +ATOM 777 HE1 HIS A 48 24.643 15.816 21.809 1.00 11.61 H +ATOM 778 HE2 HIS A 48 26.972 14.781 21.657 1.00 10.84 H +ATOM 779 N GLU A 49 27.902 22.567 21.819 1.00 9.98 N +ATOM 780 CA GLU A 49 28.365 23.897 22.126 1.00 9.75 C +ATOM 781 C GLU A 49 27.436 24.895 21.517 1.00 9.85 C +ATOM 782 O GLU A 49 26.593 24.617 20.653 1.00 10.72 O +ATOM 783 CB GLU A 49 29.794 24.120 21.553 1.00 11.40 C +ATOM 784 CG GLU A 49 30.883 23.178 22.072 1.00 12.91 C +ATOM 785 CD GLU A 49 31.266 23.209 23.539 1.00 14.48 C +ATOM 786 OE1 GLU A 49 31.867 22.302 24.089 1.00 13.19 O +ATOM 787 OE2 GLU A 49 30.856 24.274 24.182 1.00 16.33 O +ATOM 788 H GLU A 49 27.577 22.458 20.848 1.00 10.58 H +ATOM 789 HA GLU A 49 28.416 24.031 23.193 1.00 10.34 H +ATOM 790 HB2 GLU A 49 29.714 24.034 20.484 1.00 11.58 H +ATOM 791 HB3 GLU A 49 30.125 25.136 21.783 1.00 11.13 H +ATOM 792 HG2 GLU A 49 30.588 22.156 21.859 1.00 12.84 H +ATOM 793 HG3 GLU A 49 31.816 23.314 21.533 1.00 13.18 H +ATOM 794 N SER A 50 27.571 26.133 21.970 1.00 10.01 N +ATOM 795 CA SER A 50 26.764 27.227 21.378 1.00 10.30 C +ATOM 796 C SER A 50 27.204 27.363 19.883 1.00 9.73 C +ATOM 797 O SER A 50 28.355 27.163 19.508 1.00 10.48 O +ATOM 798 CB ASER A 50 26.905 28.559 22.129 0.67 10.73 C +ATOM 799 CB BSER A 50 27.131 28.503 22.139 0.33 10.91 C +ATOM 800 OG ASER A 50 28.151 29.063 21.898 0.67 10.90 O +ATOM 801 OG BSER A 50 26.724 29.663 21.477 0.33 12.43 O +ATOM 802 H SER A 50 28.264 26.398 22.641 1.00 10.44 H +ATOM 803 HA SER A 50 25.747 27.027 21.429 1.00 10.35 H +ATOM 804 HB2ASER A 50 26.076 29.216 21.836 0.67 10.54 H +ATOM 805 HB2BSER A 50 26.709 28.455 23.154 0.33 10.98 H +ATOM 806 HB3ASER A 50 26.772 28.352 23.198 0.67 10.55 H +ATOM 807 HB3BSER A 50 28.217 28.545 22.246 0.33 10.92 H +ATOM 808 HG ASER A 50 28.173 30.020 21.919 0.67 12.15 H +ATOM 809 HG BSER A 50 27.473 30.239 21.324 0.33 12.07 H +ATOM 810 N LEU A 51 26.228 27.763 19.066 1.00 10.39 N +ATOM 811 CA LEU A 51 26.507 28.033 17.651 1.00 10.90 C +ATOM 812 C LEU A 51 27.524 29.140 17.532 1.00 10.49 C +ATOM 813 O LEU A 51 28.428 29.075 16.695 1.00 10.70 O +ATOM 814 CB LEU A 51 25.223 28.335 16.860 1.00 12.87 C +ATOM 815 CG LEU A 51 25.386 28.635 15.392 1.00 14.39 C +ATOM 816 CD1 LEU A 51 25.930 27.485 14.614 1.00 14.44 C +ATOM 817 CD2 LEU A 51 24.067 29.101 14.795 1.00 15.89 C +ATOM 818 H LEU A 51 25.309 27.954 19.399 1.00 10.71 H +ATOM 819 HA LEU A 51 26.934 27.122 17.247 1.00 10.88 H +ATOM 820 HB2 LEU A 51 24.552 27.468 16.944 1.00 12.79 H +ATOM 821 HB3 LEU A 51 24.721 29.187 17.349 1.00 12.83 H +ATOM 822 HG LEU A 51 26.048 29.505 15.314 1.00 14.30 H +ATOM 823 HD11 LEU A 51 26.869 27.103 14.995 1.00 13.84 H +ATOM 824 HD12 LEU A 51 25.185 26.700 14.573 1.00 14.53 H +ATOM 825 HD13 LEU A 51 26.117 27.826 13.578 1.00 14.27 H +ATOM 826 HD21 LEU A 51 23.279 28.379 14.984 1.00 15.90 H +ATOM 827 HD22 LEU A 51 23.768 30.047 15.289 1.00 15.67 H +ATOM 828 HD23 LEU A 51 24.173 29.272 13.725 1.00 15.70 H +ATOM 829 N ALA A 52 27.433 30.204 18.332 1.00 10.66 N +ATOM 830 CA ALA A 52 28.432 31.269 18.291 1.00 11.00 C +ATOM 831 C ALA A 52 29.837 30.791 18.551 1.00 10.92 C +ATOM 832 O ALA A 52 30.783 31.242 17.852 1.00 12.20 O +ATOM 833 CB ALA A 52 28.032 32.379 19.260 1.00 12.01 C +ATOM 834 H ALA A 52 26.692 30.235 19.012 1.00 11.67 H +ATOM 835 HA ALA A 52 28.389 31.708 17.304 1.00 11.49 H +ATOM 836 HB1 ALA A 52 27.032 32.709 19.023 1.00 11.57 H +ATOM 837 HB2 ALA A 52 28.049 32.005 20.276 1.00 11.24 H +ATOM 838 HB3 ALA A 52 28.731 33.190 19.177 1.00 11.55 H +ATOM 839 N ASP A 53 30.064 29.883 19.507 1.00 10.24 N +ATOM 840 CA ASP A 53 31.347 29.343 19.790 1.00 10.07 C +ATOM 841 C ASP A 53 31.922 28.542 18.578 1.00 9.15 C +ATOM 842 O ASP A 53 33.118 28.556 18.399 1.00 10.51 O +ATOM 843 CB ASP A 53 31.458 28.519 21.059 1.00 11.70 C +ATOM 844 CG ASP A 53 31.366 29.340 22.322 1.00 15.29 C +ATOM 845 OD1 ASP A 53 31.507 30.549 22.326 1.00 18.56 O +ATOM 846 OD2 ASP A 53 31.185 28.695 23.391 1.00 18.77 O +ATOM 847 H ASP A 53 29.268 29.544 20.027 1.00 10.68 H +ATOM 848 HA ASP A 53 32.068 30.144 19.940 1.00 10.03 H +ATOM 849 HB2 ASP A 53 30.651 27.799 21.111 1.00 11.90 H +ATOM 850 HB3 ASP A 53 32.359 27.927 21.087 1.00 11.66 H +ATOM 851 N VAL A 54 31.033 27.840 17.900 1.00 8.38 N +ATOM 852 CA VAL A 54 31.485 27.069 16.731 1.00 8.93 C +ATOM 853 C VAL A 54 31.761 28.015 15.533 1.00 8.92 C +ATOM 854 O VAL A 54 32.750 27.796 14.839 1.00 9.70 O +ATOM 855 CB VAL A 54 30.538 25.912 16.398 1.00 9.20 C +ATOM 856 CG1 VAL A 54 30.859 25.214 15.077 1.00 10.26 C +ATOM 857 CG2 VAL A 54 30.464 24.927 17.558 1.00 10.41 C +ATOM 858 H VAL A 54 30.062 27.857 18.105 1.00 8.51 H +ATOM 859 HA VAL A 54 32.402 26.589 16.996 1.00 8.33 H +ATOM 860 HB VAL A 54 29.558 26.376 16.293 1.00 9.49 H +ATOM 861 HG11 VAL A 54 31.835 24.796 15.048 1.00 9.79 H +ATOM 862 HG12 VAL A 54 30.198 24.371 14.918 1.00 9.88 H +ATOM 863 HG13 VAL A 54 30.749 25.851 14.225 1.00 9.96 H +ATOM 864 HG21 VAL A 54 30.186 25.399 18.485 1.00 9.37 H +ATOM 865 HG22 VAL A 54 29.759 24.138 17.376 1.00 9.64 H +ATOM 866 HG23 VAL A 54 31.426 24.462 17.701 1.00 9.55 H +ATOM 867 N GLN A 55 30.893 28.973 15.356 1.00 9.25 N +ATOM 868 CA GLN A 55 31.136 29.969 14.269 1.00 10.12 C +ATOM 869 C GLN A 55 32.444 30.689 14.462 1.00 10.65 C +ATOM 870 O GLN A 55 33.190 31.009 13.512 1.00 11.35 O +ATOM 871 CB GLN A 55 30.013 30.978 14.176 1.00 11.98 C +ATOM 872 CG GLN A 55 28.721 30.385 13.647 1.00 12.39 C +ATOM 873 CD GLN A 55 27.553 31.357 13.836 1.00 13.70 C +ATOM 874 OE1 GLN A 55 27.493 32.220 14.712 1.00 16.51 O +ATOM 875 NE2 GLN A 55 26.598 31.146 13.024 1.00 14.45 N +ATOM 876 H GLN A 55 30.123 29.124 15.958 1.00 9.49 H +ATOM 877 HA GLN A 55 31.128 29.422 13.360 1.00 10.60 H +ATOM 878 HB2 GLN A 55 29.850 31.350 15.221 1.00 11.67 H +ATOM 879 HB3 GLN A 55 30.328 31.853 13.624 1.00 11.67 H +ATOM 880 HG2 GLN A 55 28.777 30.244 12.573 1.00 12.70 H +ATOM 881 HG3 GLN A 55 28.429 29.441 14.072 1.00 12.40 H +ATOM 882 HE21 GLN A 55 25.738 31.667 12.978 1.00 14.88 H +ATOM 883 HE22 GLN A 55 26.591 30.447 12.278 1.00 15.89 H +ATOM 884 N ALA A 56 32.808 30.961 15.733 1.00 10.96 N +ATOM 885 CA ALA A 56 34.056 31.615 16.074 1.00 11.65 C +ATOM 886 C ALA A 56 35.326 30.895 15.651 1.00 11.33 C +ATOM 887 O ALA A 56 36.395 31.470 15.510 1.00 11.29 O +ATOM 888 CB ALA A 56 34.150 31.899 17.584 1.00 12.49 C +ATOM 889 H ALA A 56 32.197 30.682 16.486 1.00 11.39 H +ATOM 890 HA ALA A 56 34.054 32.597 15.619 1.00 12.08 H +ATOM 891 HB1 ALA A 56 33.173 32.162 17.962 1.00 12.48 H +ATOM 892 HB2 ALA A 56 34.517 31.035 18.100 1.00 12.13 H +ATOM 893 HB3 ALA A 56 34.801 32.746 17.747 1.00 12.33 H +ATOM 894 N VAL A 57 35.231 29.556 15.437 1.00 10.27 N +ATOM 895 CA VAL A 57 36.375 28.767 14.982 1.00 9.75 C +ATOM 896 C VAL A 57 36.923 29.291 13.630 1.00 9.70 C +ATOM 897 O VAL A 57 38.113 29.130 13.380 1.00 10.25 O +ATOM 898 CB VAL A 57 36.038 27.269 15.023 1.00 9.76 C +ATOM 899 CG1 VAL A 57 37.162 26.400 14.476 1.00 10.77 C +ATOM 900 CG2 VAL A 57 35.669 26.824 16.384 1.00 10.34 C +ATOM 901 H VAL A 57 34.348 29.109 15.542 1.00 10.27 H +ATOM 902 HA VAL A 57 37.194 28.829 15.657 1.00 9.67 H +ATOM 903 HB VAL A 57 35.184 27.183 14.344 1.00 10.14 H +ATOM 904 HG11 VAL A 57 38.114 26.659 14.859 1.00 10.29 H +ATOM 905 HG12 VAL A 57 36.999 25.354 14.591 1.00 11.01 H +ATOM 906 HG13 VAL A 57 37.253 26.579 13.410 1.00 10.58 H +ATOM 907 HG21 VAL A 57 34.901 27.408 16.857 1.00 10.13 H +ATOM 908 HG22 VAL A 57 35.297 25.801 16.405 1.00 10.24 H +ATOM 909 HG23 VAL A 57 36.503 26.796 17.082 1.00 10.06 H +ATOM 910 N CYS A 58 36.056 29.892 12.859 1.00 9.87 N +ATOM 911 CA CYS A 58 36.460 30.466 11.561 1.00 11.50 C +ATOM 912 C CYS A 58 37.486 31.587 11.677 1.00 12.58 C +ATOM 913 O CYS A 58 38.068 31.993 10.649 1.00 14.45 O +ATOM 914 CB CYS A 58 35.260 30.882 10.715 1.00 11.76 C +ATOM 915 SG CYS A 58 34.230 29.527 10.215 1.00 11.86 S +ATOM 916 H CYS A 58 35.099 30.019 13.112 1.00 9.88 H +ATOM 917 HA CYS A 58 36.945 29.663 11.018 1.00 11.17 H +ATOM 918 HB2 CYS A 58 34.652 31.611 11.212 1.00 11.75 H +ATOM 919 HB3 CYS A 58 35.632 31.335 9.808 1.00 11.49 H +ATOM 920 N SER A 59 37.684 32.059 12.843 1.00 13.49 N +ATOM 921 CA SER A 59 38.691 33.121 13.147 1.00 15.14 C +ATOM 922 C SER A 59 39.783 32.541 14.047 1.00 14.81 C +ATOM 923 O SER A 59 40.562 33.362 14.656 1.00 15.90 O +ATOM 924 CB SER A 59 37.976 34.327 13.771 1.00 18.12 C +ATOM 925 OG SER A 59 37.556 33.973 15.075 1.00 22.57 O +ATOM 926 H SER A 59 37.228 31.778 13.686 1.00 13.21 H +ATOM 927 HA SER A 59 39.098 33.454 12.226 1.00 15.46 H +ATOM 928 HB2 SER A 59 38.676 35.170 13.821 1.00 18.42 H +ATOM 929 HB3 SER A 59 37.123 34.620 13.191 1.00 17.93 H +ATOM 930 HG SER A 59 36.673 34.353 15.209 1.00 21.80 H +ATOM 931 N GLN A 60 39.971 31.272 14.131 1.00 13.71 N +ATOM 932 CA GLN A 60 40.942 30.596 14.995 1.00 13.13 C +ATOM 933 C GLN A 60 42.149 30.066 14.218 1.00 13.75 C +ATOM 934 O GLN A 60 42.587 30.826 13.279 1.00 15.06 O +ATOM 935 CB GLN A 60 40.266 29.685 15.983 1.00 11.26 C +ATOM 936 CG GLN A 60 39.365 30.497 16.889 1.00 12.55 C +ATOM 937 CD GLN A 60 38.622 29.667 17.900 1.00 12.52 C +ATOM 938 OE1 GLN A 60 38.886 28.520 18.186 1.00 14.11 O +ATOM 939 NE2 GLN A 60 37.596 30.287 18.420 1.00 14.29 N +ATOM 940 H GLN A 60 39.332 30.645 13.635 1.00 13.71 H +ATOM 941 HA GLN A 60 41.337 31.398 15.648 1.00 12.92 H +ATOM 942 HB2 GLN A 60 39.705 28.890 15.508 1.00 11.78 H +ATOM 943 HB3 GLN A 60 41.009 29.199 16.631 1.00 11.68 H +ATOM 944 HG2 GLN A 60 39.926 31.248 17.415 1.00 11.85 H +ATOM 945 HG3 GLN A 60 38.633 31.063 16.321 1.00 12.01 H +ATOM 946 HE21 GLN A 60 36.988 29.864 19.110 1.00 14.25 H +ATOM 947 HE22 GLN A 60 37.328 31.239 18.213 1.00 15.18 H +ATOM 948 N LYS A 61 42.688 28.956 14.474 1.00 14.10 N +ATOM 949 CA LYS A 61 43.934 28.481 13.811 1.00 15.68 C +ATOM 950 C LYS A 61 43.725 27.978 12.415 1.00 15.12 C +ATOM 951 O LYS A 61 43.120 26.929 12.277 1.00 15.69 O +ATOM 952 CB ALYS A 61 44.560 27.407 14.692 0.50 18.32 C +ATOM 953 CB BLYS A 61 44.664 27.451 14.656 0.50 16.98 C +ATOM 954 CG ALYS A 61 45.981 26.971 14.334 0.50 21.14 C +ATOM 955 CG BLYS A 61 46.008 26.927 14.158 0.50 18.71 C +ATOM 956 CD ALYS A 61 46.619 26.060 15.372 0.50 23.46 C +ATOM 957 CD BLYS A 61 47.136 27.948 14.087 0.50 20.06 C +ATOM 958 CE ALYS A 61 48.139 26.162 15.397 0.50 25.72 C +ATOM 959 CE BLYS A 61 48.424 27.320 13.563 0.50 20.64 C +ATOM 960 NZ ALYS A 61 48.781 25.606 16.615 0.50 27.05 N +ATOM 961 NZ BLYS A 61 49.509 28.299 13.409 0.50 21.58 N +ATOM 962 H LYS A 61 42.375 28.372 15.233 1.00 14.09 H +ATOM 963 HA LYS A 61 44.598 29.337 13.786 1.00 15.93 H +ATOM 964 HB2ALYS A 61 44.570 27.765 15.729 0.50 18.43 H +ATOM 965 HB2BLYS A 61 44.817 27.865 15.665 0.50 17.14 H +ATOM 966 HB3ALYS A 61 43.899 26.530 14.656 0.50 18.35 H +ATOM 967 HB3BLYS A 61 43.974 26.592 14.762 0.50 17.07 H +ATOM 968 HG2ALYS A 61 45.977 26.454 13.354 0.50 21.13 H +ATOM 969 HG2BLYS A 61 46.329 26.076 14.798 0.50 18.64 H +ATOM 970 HG3ALYS A 61 46.604 27.855 14.182 0.50 21.14 H +ATOM 971 HG3BLYS A 61 45.905 26.486 13.160 0.50 18.71 H +ATOM 972 HD2ALYS A 61 46.249 26.295 16.364 0.50 23.45 H +ATOM 973 HD2BLYS A 61 46.870 28.760 13.424 0.50 20.03 H +ATOM 974 HD3ALYS A 61 46.351 25.020 15.146 0.50 23.41 H +ATOM 975 HD3BLYS A 61 47.330 28.360 15.080 0.50 19.96 H +ATOM 976 HE2ALYS A 61 48.575 25.671 14.534 0.50 25.61 H +ATOM 977 HE2BLYS A 61 48.766 26.531 14.224 0.50 20.65 H +ATOM 978 HE3ALYS A 61 48.426 27.225 15.385 0.50 25.57 H +ATOM 979 HE3BLYS A 61 48.235 26.895 12.572 0.50 20.70 H +ATOM 980 HZ1ALYS A 61 48.181 25.652 17.427 0.50 28.40 H +ATOM 981 HZ1BLYS A 61 49.492 29.017 14.144 0.50 21.47 H +ATOM 982 HZ2ALYS A 61 49.096 24.647 16.426 0.50 27.21 H +ATOM 983 HZ2BLYS A 61 50.442 27.858 13.494 0.50 21.47 H +ATOM 984 HZ3ALYS A 61 49.630 26.141 16.863 0.50 27.06 H +ATOM 985 HZ3BLYS A 61 49.489 28.718 12.482 0.50 21.50 H +ATOM 986 N ASN A 62 44.271 28.645 11.445 1.00 14.50 N +ATOM 987 CA ASN A 62 44.181 28.190 10.053 1.00 15.69 C +ATOM 988 C ASN A 62 45.037 26.972 9.900 1.00 15.84 C +ATOM 989 O ASN A 62 46.221 26.889 10.344 1.00 16.77 O +ATOM 990 CB ASN A 62 44.462 29.337 9.065 1.00 18.58 C +ATOM 991 CG ASN A 62 44.416 28.893 7.600 1.00 21.04 C +ATOM 992 OD1 ASN A 62 45.435 28.921 6.870 1.00 24.34 O +ATOM 993 ND2 ASN A 62 43.267 28.410 7.110 1.00 18.96 N +ATOM 994 H ASN A 62 44.800 29.491 11.599 1.00 15.72 H +ATOM 995 HA ASN A 62 43.155 27.982 9.847 1.00 15.77 H +ATOM 996 HB2 ASN A 62 43.803 30.175 9.216 1.00 18.40 H +ATOM 997 HB3 ASN A 62 45.466 29.712 9.273 1.00 18.67 H +ATOM 998 HD21 ASN A 62 42.459 28.378 7.726 1.00 19.10 H +ATOM 999 HD22 ASN A 62 43.186 28.089 6.158 1.00 19.34 H +ATOM 1000 N VAL A 63 44.494 25.897 9.251 1.00 14.02 N +ATOM 1001 CA VAL A 63 45.102 24.621 9.008 1.00 14.10 C +ATOM 1002 C VAL A 63 44.563 24.044 7.672 1.00 13.70 C +ATOM 1003 O VAL A 63 43.508 24.412 7.164 1.00 14.92 O +ATOM 1004 CB VAL A 63 44.948 23.633 10.169 1.00 15.26 C +ATOM 1005 CG1 VAL A 63 45.476 24.186 11.482 1.00 18.30 C +ATOM 1006 CG2 VAL A 63 43.548 23.139 10.416 1.00 15.37 C +ATOM 1007 H VAL A 63 43.534 26.029 8.939 1.00 14.37 H +ATOM 1008 HA VAL A 63 46.165 24.711 8.876 1.00 14.58 H +ATOM 1009 HB VAL A 63 45.560 22.760 9.892 1.00 15.45 H +ATOM 1010 HG11 VAL A 63 46.468 24.579 11.363 1.00 17.69 H +ATOM 1011 HG12 VAL A 63 44.863 24.992 11.866 1.00 18.02 H +ATOM 1012 HG13 VAL A 63 45.510 23.438 12.242 1.00 18.22 H +ATOM 1013 HG21 VAL A 63 42.832 23.922 10.533 1.00 15.21 H +ATOM 1014 HG22 VAL A 63 43.210 22.497 9.609 1.00 15.17 H +ATOM 1015 HG23 VAL A 63 43.495 22.520 11.305 1.00 15.19 H +ATOM 1016 N ALA A 64 45.388 23.205 7.082 1.00 12.88 N +ATOM 1017 CA ALA A 64 44.964 22.539 5.828 1.00 11.64 C +ATOM 1018 C ALA A 64 43.908 21.503 6.231 1.00 11.24 C +ATOM 1019 O ALA A 64 43.988 20.783 7.269 1.00 12.55 O +ATOM 1020 CB ALA A 64 46.113 21.978 5.023 1.00 12.25 C +ATOM 1021 H ALA A 64 46.241 22.894 7.501 1.00 13.78 H +ATOM 1022 HA ALA A 64 44.480 23.283 5.217 1.00 11.92 H +ATOM 1023 HB1 ALA A 64 46.669 21.239 5.562 1.00 11.89 H +ATOM 1024 HB2 ALA A 64 45.742 21.482 4.119 1.00 12.00 H +ATOM 1025 HB3 ALA A 64 46.773 22.769 4.687 1.00 11.65 H +ATOM 1026 N CYS A 65 42.843 21.414 5.452 1.00 9.61 N +ATOM 1027 CA CYS A 65 41.807 20.378 5.589 1.00 9.87 C +ATOM 1028 C CYS A 65 42.471 19.028 5.164 1.00 10.32 C +ATOM 1029 O CYS A 65 43.515 19.012 4.494 1.00 10.77 O +ATOM 1030 CB CYS A 65 40.654 20.633 4.615 1.00 9.94 C +ATOM 1031 SG CYS A 65 39.937 22.300 4.744 1.00 11.68 S +ATOM 1032 H CYS A 65 42.804 21.948 4.592 1.00 10.96 H +ATOM 1033 HA CYS A 65 41.452 20.305 6.561 1.00 9.73 H +ATOM 1034 HB2 CYS A 65 41.007 20.551 3.600 1.00 10.36 H +ATOM 1035 HB3 CYS A 65 39.864 19.938 4.763 1.00 10.05 H +ATOM 1036 N LYS A 66 41.805 17.928 5.496 1.00 10.38 N +ATOM 1037 CA LYS A 66 42.298 16.607 5.164 1.00 13.03 C +ATOM 1038 C LYS A 66 42.539 16.465 3.649 1.00 13.19 C +ATOM 1039 O LYS A 66 43.487 15.777 3.295 1.00 14.17 O +ATOM 1040 CB LYS A 66 41.383 15.444 5.490 1.00 18.59 C +ATOM 1041 CG LYS A 66 41.242 15.203 6.976 1.00 24.50 C +ATOM 1042 CD LYS A 66 40.125 14.090 7.169 1.00 28.16 C +ATOM 1043 CE LYS A 66 40.085 13.618 8.591 1.00 30.89 C +ATOM 1044 NZ LYS A 66 38.666 13.241 9.018 1.00 32.86 N +ATOM 1045 H LYS A 66 40.974 17.982 6.024 1.00 10.72 H +ATOM 1046 HA LYS A 66 43.224 16.426 5.678 1.00 13.01 H +ATOM 1047 HB2 LYS A 66 40.394 15.582 5.050 1.00 18.45 H +ATOM 1048 HB3 LYS A 66 41.830 14.531 5.036 1.00 18.47 H +ATOM 1049 HG2 LYS A 66 42.164 14.833 7.417 1.00 24.32 H +ATOM 1050 HG3 LYS A 66 40.899 16.062 7.519 1.00 24.19 H +ATOM 1051 HD2 LYS A 66 39.188 14.501 6.850 1.00 27.90 H +ATOM 1052 HD3 LYS A 66 40.408 13.255 6.514 1.00 28.04 H +ATOM 1053 HE2 LYS A 66 40.677 12.705 8.718 1.00 30.96 H +ATOM 1054 HE3 LYS A 66 40.422 14.352 9.303 1.00 31.03 H +ATOM 1055 HZ1 LYS A 66 38.001 13.971 8.775 1.00 30.36 H +ATOM 1056 HZ2 LYS A 66 38.402 12.395 8.529 1.00 32.52 H +ATOM 1057 HZ3 LYS A 66 38.661 13.130 10.032 1.00 32.46 H +ATOM 1058 N ASN A 67 41.685 17.115 2.826 1.00 12.34 N +ATOM 1059 CA ASN A 67 41.804 17.034 1.362 1.00 13.31 C +ATOM 1060 C ASN A 67 42.782 18.037 0.746 1.00 13.07 C +ATOM 1061 O ASN A 67 42.943 18.115 -0.517 1.00 14.97 O +ATOM 1062 CB AASN A 67 40.424 17.182 0.717 0.67 14.22 C +ATOM 1063 CB BASN A 67 40.446 16.802 0.689 0.33 14.78 C +ATOM 1064 CG AASN A 67 39.923 18.632 0.639 0.67 14.84 C +ATOM 1065 CG BASN A 67 39.870 15.411 0.922 0.33 15.78 C +ATOM 1066 OD1AASN A 67 40.325 19.587 1.347 0.67 13.19 O +ATOM 1067 OD1BASN A 67 40.547 14.406 1.278 0.33 17.02 O +ATOM 1068 ND2AASN A 67 39.041 18.870 -0.362 0.67 15.90 N +ATOM 1069 ND2BASN A 67 38.567 15.293 0.719 0.33 17.15 N +ATOM 1070 H ASN A 67 40.944 17.646 3.208 1.00 13.45 H +ATOM 1071 HA ASN A 67 42.186 16.059 1.110 1.00 13.76 H +ATOM 1072 HB2AASN A 67 40.465 16.789 -0.306 0.67 14.26 H +ATOM 1073 HB2BASN A 67 39.733 17.531 1.051 0.33 14.69 H +ATOM 1074 HB3AASN A 67 39.688 16.586 1.226 0.67 14.17 H +ATOM 1075 HB3BASN A 67 40.535 16.963 -0.386 0.33 14.76 H +ATOM 1076 HD21AASN A 67 38.739 18.090 -0.957 0.67 16.83 H +ATOM 1077 HD21BASN A 67 38.004 16.086 0.429 0.33 16.73 H +ATOM 1078 HD22AASN A 67 38.643 19.750 -0.550 0.67 15.87 H +ATOM 1079 HD22BASN A 67 38.081 14.392 0.846 0.33 16.64 H +ATOM 1080 N GLY A 68 43.430 18.832 1.596 1.00 11.96 N +ATOM 1081 CA GLY A 68 44.403 19.789 1.119 1.00 11.56 C +ATOM 1082 C GLY A 68 43.936 21.202 1.006 1.00 11.36 C +ATOM 1083 O GLY A 68 44.775 22.120 0.898 1.00 12.73 O +ATOM 1084 H GLY A 68 43.294 18.767 2.571 1.00 12.43 H +ATOM 1085 HA2 GLY A 68 45.270 19.758 1.770 1.00 11.72 H +ATOM 1086 HA3 GLY A 68 44.780 19.423 0.139 1.00 11.54 H +ATOM 1087 N GLN A 69 42.633 21.426 1.047 1.00 11.34 N +ATOM 1088 CA GLN A 69 42.153 22.846 0.966 1.00 11.96 C +ATOM 1089 C GLN A 69 42.693 23.661 2.166 1.00 11.52 C +ATOM 1090 O GLN A 69 42.932 23.082 3.225 1.00 12.62 O +ATOM 1091 CB GLN A 69 40.629 22.899 1.040 1.00 13.20 C +ATOM 1092 CG GLN A 69 39.954 22.420 -0.175 1.00 15.25 C +ATOM 1093 CD GLN A 69 38.438 22.369 -0.019 1.00 18.36 C +ATOM 1094 OE1 GLN A 69 37.885 21.511 -0.732 1.00 20.07 O +ATOM 1095 NE2 GLN A 69 37.749 23.089 0.915 1.00 17.86 N +ATOM 1096 H GLN A 69 41.971 20.705 1.154 1.00 11.56 H +ATOM 1097 HA GLN A 69 42.448 23.264 0.049 1.00 12.34 H +ATOM 1098 HB2 GLN A 69 40.318 22.397 1.957 1.00 12.99 H +ATOM 1099 HB3 GLN A 69 40.397 23.987 1.182 1.00 13.58 H +ATOM 1100 HG2 GLN A 69 40.206 23.016 -1.068 1.00 15.55 H +ATOM 1101 HG3 GLN A 69 40.245 21.407 -0.459 1.00 15.04 H +ATOM 1102 HE21 GLN A 69 38.291 23.722 1.452 1.00 17.73 H +ATOM 1103 HE22 GLN A 69 36.791 22.984 0.977 1.00 17.98 H +ATOM 1104 N THR A 70 42.818 24.944 1.999 1.00 10.48 N +ATOM 1105 CA THR A 70 43.368 25.782 3.031 1.00 11.30 C +ATOM 1106 C THR A 70 42.407 26.676 3.746 1.00 12.40 C +ATOM 1107 O THR A 70 42.827 27.606 4.458 1.00 14.53 O +ATOM 1108 CB THR A 70 44.598 26.477 2.427 1.00 12.92 C +ATOM 1109 OG1 THR A 70 44.175 27.192 1.308 1.00 13.81 O +ATOM 1110 CG2 THR A 70 45.753 25.579 2.056 1.00 14.02 C +ATOM 1111 H THR A 70 42.632 25.377 1.103 1.00 11.26 H +ATOM 1112 HA THR A 70 43.810 25.123 3.789 1.00 11.80 H +ATOM 1113 HB THR A 70 44.965 27.191 3.210 1.00 13.29 H +ATOM 1114 HG1 THR A 70 43.624 27.977 1.551 1.00 12.55 H +ATOM 1115 HG21 THR A 70 45.486 24.523 2.052 1.00 13.65 H +ATOM 1116 HG22 THR A 70 46.145 25.861 1.091 1.00 13.56 H +ATOM 1117 HG23 THR A 70 46.559 25.669 2.831 1.00 13.64 H +ATOM 1118 N ASN A 71 41.115 26.396 3.635 1.00 11.58 N +ATOM 1119 CA ASN A 71 40.058 27.129 4.337 1.00 10.88 C +ATOM 1120 C ASN A 71 39.554 26.410 5.607 1.00 10.90 C +ATOM 1121 O ASN A 71 38.428 26.663 5.978 1.00 11.01 O +ATOM 1122 CB ASN A 71 38.939 27.564 3.388 1.00 12.00 C +ATOM 1123 CG ASN A 71 38.169 26.409 2.824 1.00 13.21 C +ATOM 1124 OD1 ASN A 71 38.746 25.363 2.496 1.00 13.61 O +ATOM 1125 ND2 ASN A 71 36.845 26.568 2.742 1.00 13.76 N +ATOM 1126 H ASN A 71 40.815 25.610 3.080 1.00 12.24 H +ATOM 1127 HA ASN A 71 40.441 28.082 4.649 1.00 10.90 H +ATOM 1128 HB2 ASN A 71 38.275 28.231 3.948 1.00 11.93 H +ATOM 1129 HB3 ASN A 71 39.337 28.156 2.572 1.00 11.84 H +ATOM 1130 HD21 ASN A 71 36.407 27.433 3.025 1.00 13.01 H +ATOM 1131 HD22 ASN A 71 36.269 25.809 2.363 1.00 14.38 H +ATOM 1132 N CYS A 72 40.418 25.575 6.191 1.00 10.23 N +ATOM 1133 CA CYS A 72 40.050 24.898 7.409 1.00 9.57 C +ATOM 1134 C CYS A 72 40.676 25.688 8.624 1.00 10.33 C +ATOM 1135 O CYS A 72 41.674 26.414 8.452 1.00 10.32 O +ATOM 1136 CB CYS A 72 40.448 23.495 7.421 1.00 10.08 C +ATOM 1137 SG CYS A 72 39.251 22.332 6.591 1.00 11.82 S +ATOM 1138 H CYS A 72 41.331 25.430 5.829 1.00 10.78 H +ATOM 1139 HA CYS A 72 39.014 25.002 7.499 1.00 9.63 H +ATOM 1140 HB2 CYS A 72 41.362 23.315 6.879 1.00 9.83 H +ATOM 1141 HB3 CYS A 72 40.567 23.058 8.393 1.00 10.12 H +ATOM 1142 N TYR A 73 39.982 25.480 9.723 1.00 9.78 N +ATOM 1143 CA TYR A 73 40.319 26.124 10.998 1.00 10.52 C +ATOM 1144 C TYR A 73 40.142 25.152 12.141 1.00 10.60 C +ATOM 1145 O TYR A 73 39.126 24.457 12.193 1.00 10.04 O +ATOM 1146 CB TYR A 73 39.489 27.392 11.283 1.00 11.63 C +ATOM 1147 CG TYR A 73 39.746 28.438 10.230 1.00 12.38 C +ATOM 1148 CD1 TYR A 73 40.709 29.432 10.448 1.00 13.67 C +ATOM 1149 CD2 TYR A 73 39.055 28.409 9.028 1.00 12.78 C +ATOM 1150 CE1 TYR A 73 40.965 30.356 9.418 1.00 14.92 C +ATOM 1151 CE2 TYR A 73 39.335 29.286 7.987 1.00 15.63 C +ATOM 1152 CZ TYR A 73 40.312 30.244 8.212 1.00 16.41 C +ATOM 1153 OH TYR A 73 40.507 31.152 7.162 1.00 20.81 O +ATOM 1154 H TYR A 73 39.185 24.888 9.758 1.00 10.21 H +ATOM 1155 HA TYR A 73 41.306 26.458 10.883 1.00 10.61 H +ATOM 1156 HB2 TYR A 73 38.443 27.159 11.382 1.00 11.40 H +ATOM 1157 HB3 TYR A 73 39.840 27.745 12.254 1.00 11.87 H +ATOM 1158 HD1 TYR A 73 41.260 29.490 11.364 1.00 13.58 H +ATOM 1159 HD2 TYR A 73 38.331 27.606 8.837 1.00 13.48 H +ATOM 1160 HE1 TYR A 73 41.713 31.125 9.561 1.00 15.48 H +ATOM 1161 HE2 TYR A 73 38.800 29.241 7.045 1.00 15.19 H +ATOM 1162 HH TYR A 73 40.712 30.667 6.329 1.00 19.75 H +ATOM 1163 N GLN A 74 41.097 25.151 13.050 1.00 10.93 N +ATOM 1164 CA GLN A 74 41.097 24.306 14.281 1.00 12.00 C +ATOM 1165 C GLN A 74 40.777 25.152 15.504 1.00 11.86 C +ATOM 1166 O GLN A 74 41.358 26.244 15.701 1.00 12.34 O +ATOM 1167 CB GLN A 74 42.417 23.612 14.499 1.00 14.42 C +ATOM 1168 CG GLN A 74 42.449 22.690 15.697 1.00 17.24 C +ATOM 1169 CD GLN A 74 43.837 22.117 15.845 1.00 22.30 C +ATOM 1170 OE1 GLN A 74 44.371 21.550 14.930 1.00 25.92 O +ATOM 1171 NE2 GLN A 74 44.412 22.377 16.978 1.00 25.98 N +ATOM 1172 H GLN A 74 41.888 25.763 12.982 1.00 11.41 H +ATOM 1173 HA GLN A 74 40.369 23.563 14.119 1.00 12.36 H +ATOM 1174 HB2 GLN A 74 42.680 23.011 13.602 1.00 14.35 H +ATOM 1175 HB3 GLN A 74 43.197 24.378 14.585 1.00 14.53 H +ATOM 1176 HG2 GLN A 74 42.247 23.210 16.609 1.00 17.41 H +ATOM 1177 HG3 GLN A 74 41.746 21.864 15.612 1.00 17.52 H +ATOM 1178 HE21 GLN A 74 43.955 22.898 17.733 1.00 24.38 H +ATOM 1179 HE22 GLN A 74 45.359 22.067 17.180 1.00 24.59 H +ATOM 1180 N SER A 75 39.870 24.618 16.317 1.00 11.01 N +ATOM 1181 CA SER A 75 39.482 25.382 17.498 1.00 11.51 C +ATOM 1182 C SER A 75 40.687 25.418 18.488 1.00 12.02 C +ATOM 1183 O SER A 75 41.421 24.451 18.663 1.00 12.38 O +ATOM 1184 CB SER A 75 38.269 24.744 18.170 1.00 10.73 C +ATOM 1185 OG SER A 75 38.546 23.401 18.554 1.00 11.01 O +ATOM 1186 H SER A 75 39.433 23.753 16.140 1.00 11.33 H +ATOM 1187 HA SER A 75 39.202 26.337 17.184 1.00 11.25 H +ATOM 1188 HB2 SER A 75 37.902 25.344 18.979 1.00 10.70 H +ATOM 1189 HB3 SER A 75 37.478 24.690 17.411 1.00 10.75 H +ATOM 1190 HG SER A 75 37.888 23.151 19.208 1.00 10.98 H +ATOM 1191 N TYR A 76 40.761 26.572 19.147 1.00 13.63 N +ATOM 1192 CA TYR A 76 41.799 26.723 20.204 1.00 15.12 C +ATOM 1193 C TYR A 76 41.482 25.826 21.398 1.00 16.36 C +ATOM 1194 O TYR A 76 42.453 25.328 21.997 1.00 18.50 O +ATOM 1195 CB TYR A 76 41.943 28.194 20.596 1.00 17.35 C +ATOM 1196 CG TYR A 76 42.514 29.130 19.561 1.00 19.30 C +ATOM 1197 CD1 TYR A 76 43.653 28.791 18.846 1.00 21.62 C +ATOM 1198 CD2 TYR A 76 41.982 30.392 19.355 1.00 21.91 C +ATOM 1199 CE1 TYR A 76 44.196 29.624 17.885 1.00 22.93 C +ATOM 1200 CE2 TYR A 76 42.524 31.271 18.410 1.00 22.30 C +ATOM 1201 CZ TYR A 76 43.622 30.860 17.680 1.00 23.41 C +ATOM 1202 OH TYR A 76 44.177 31.710 16.730 1.00 25.85 O +ATOM 1203 H TYR A 76 40.129 27.323 19.033 1.00 13.28 H +ATOM 1204 HA TYR A 76 42.725 26.364 19.810 1.00 14.99 H +ATOM 1205 HB2 TYR A 76 40.951 28.558 20.914 1.00 17.06 H +ATOM 1206 HB3 TYR A 76 42.580 28.219 21.481 1.00 17.57 H +ATOM 1207 HD1 TYR A 76 44.124 27.802 18.988 1.00 21.52 H +ATOM 1208 HD2 TYR A 76 41.097 30.710 19.915 1.00 21.39 H +ATOM 1209 HE1 TYR A 76 45.082 29.308 17.324 1.00 22.72 H +ATOM 1210 HE2 TYR A 76 42.088 32.239 18.216 1.00 22.33 H +ATOM 1211 HH TYR A 76 44.138 32.651 17.001 1.00 25.66 H +ATOM 1212 N SER A 77 40.255 25.667 21.735 1.00 16.15 N +ATOM 1213 CA SER A 77 39.785 24.858 22.852 1.00 16.98 C +ATOM 1214 C SER A 77 39.193 23.510 22.371 1.00 15.96 C +ATOM 1215 O SER A 77 38.747 23.411 21.270 1.00 14.48 O +ATOM 1216 CB ASER A 77 38.807 25.667 23.688 0.67 20.72 C +ATOM 1217 CB BSER A 77 38.616 25.531 23.575 0.33 17.86 C +ATOM 1218 OG ASER A 77 39.605 26.691 24.356 0.67 24.78 O +ATOM 1219 OG BSER A 77 38.605 26.933 23.526 0.33 19.02 O +ATOM 1220 H SER A 77 39.505 26.121 21.205 1.00 16.92 H +ATOM 1221 HA SER A 77 40.559 24.635 23.537 1.00 17.56 H +ATOM 1222 HB2ASER A 77 38.036 26.133 23.095 0.67 20.83 H +ATOM 1223 HB2BSER A 77 37.648 25.157 23.198 0.33 17.96 H +ATOM 1224 HB3ASER A 77 38.372 25.056 24.460 0.67 20.78 H +ATOM 1225 HB3BSER A 77 38.664 25.225 24.627 0.33 17.95 H +ATOM 1226 HG ASER A 77 39.985 26.260 25.126 0.67 26.84 H +ATOM 1227 HG BSER A 77 38.125 27.226 22.749 0.33 18.90 H +ATOM 1228 N THR A 78 39.153 22.605 23.311 1.00 15.29 N +ATOM 1229 CA THR A 78 38.469 21.287 23.086 1.00 15.36 C +ATOM 1230 C THR A 78 36.975 21.650 23.282 1.00 14.46 C +ATOM 1231 O THR A 78 36.521 22.583 23.955 1.00 14.60 O +ATOM 1232 CB THR A 78 38.884 20.139 23.989 1.00 17.44 C +ATOM 1233 OG1 THR A 78 38.578 20.542 25.296 1.00 18.98 O +ATOM 1234 CG2 THR A 78 40.340 19.741 23.922 1.00 18.49 C +ATOM 1235 H THR A 78 39.464 22.748 24.254 1.00 16.03 H +ATOM 1236 HA THR A 78 38.627 20.999 22.070 1.00 15.39 H +ATOM 1237 HB THR A 78 38.248 19.250 23.735 1.00 17.62 H +ATOM 1238 HG1 THR A 78 38.652 19.780 25.933 1.00 18.96 H +ATOM 1239 HG21 THR A 78 40.991 20.554 24.162 1.00 18.21 H +ATOM 1240 HG22 THR A 78 40.511 18.913 24.667 1.00 18.38 H +ATOM 1241 HG23 THR A 78 40.599 19.318 22.956 1.00 18.16 H +ATOM 1242 N MET A 79 36.145 20.823 22.607 1.00 12.75 N +ATOM 1243 CA MET A 79 34.698 20.950 22.639 1.00 11.56 C +ATOM 1244 C MET A 79 34.049 19.628 22.950 1.00 10.26 C +ATOM 1245 O MET A 79 34.683 18.617 22.643 1.00 11.76 O +ATOM 1246 CB MET A 79 34.186 21.464 21.244 1.00 10.37 C +ATOM 1247 CG MET A 79 34.658 22.904 21.064 1.00 12.31 C +ATOM 1248 SD MET A 79 33.873 23.617 19.602 1.00 15.22 S +ATOM 1249 CE MET A 79 34.318 25.304 19.823 1.00 17.50 C +ATOM 1250 H MET A 79 36.521 20.074 22.047 1.00 13.29 H +ATOM 1251 HA MET A 79 34.377 21.705 23.307 1.00 11.44 H +ATOM 1252 HB2 MET A 79 34.663 20.864 20.479 1.00 10.46 H +ATOM 1253 HB3 MET A 79 33.139 21.387 21.202 1.00 10.44 H +ATOM 1254 HG2 MET A 79 34.302 23.609 21.813 1.00 11.85 H +ATOM 1255 HG3 MET A 79 35.710 22.968 20.890 1.00 12.23 H +ATOM 1256 HE1 MET A 79 35.343 25.307 20.204 1.00 16.99 H +ATOM 1257 HE2 MET A 79 34.298 25.770 18.846 1.00 17.35 H +ATOM 1258 HE3 MET A 79 33.633 25.733 20.540 1.00 16.91 H +ATOM 1259 N SER A 80 32.873 19.640 23.518 1.00 9.94 N +ATOM 1260 CA SER A 80 32.121 18.409 23.789 1.00 9.06 C +ATOM 1261 C SER A 80 31.486 17.946 22.435 1.00 9.47 C +ATOM 1262 O SER A 80 30.748 18.726 21.810 1.00 9.65 O +ATOM 1263 CB SER A 80 31.018 18.733 24.781 1.00 9.74 C +ATOM 1264 OG SER A 80 30.293 17.535 24.924 1.00 12.09 O +ATOM 1265 H SER A 80 32.395 20.503 23.709 1.00 10.58 H +ATOM 1266 HA SER A 80 32.729 17.646 24.164 1.00 9.21 H +ATOM 1267 HB2 SER A 80 31.465 19.067 25.723 1.00 9.78 H +ATOM 1268 HB3 SER A 80 30.365 19.506 24.423 1.00 9.38 H +ATOM 1269 HG SER A 80 29.377 17.796 25.079 1.00 11.29 H +ATOM 1270 N ILE A 81 31.862 16.763 22.066 1.00 9.09 N +ATOM 1271 CA ILE A 81 31.354 16.194 20.779 1.00 9.30 C +ATOM 1272 C ILE A 81 30.840 14.770 21.012 1.00 9.49 C +ATOM 1273 O ILE A 81 31.181 14.032 21.953 1.00 10.12 O +ATOM 1274 CB ILE A 81 32.395 16.188 19.680 1.00 10.30 C +ATOM 1275 CG1 ILE A 81 33.576 15.297 19.986 1.00 11.60 C +ATOM 1276 CG2 ILE A 81 32.842 17.634 19.305 1.00 10.84 C +ATOM 1277 CD1 ILE A 81 34.485 15.061 18.767 1.00 14.25 C +ATOM 1278 H ILE A 81 32.471 16.176 22.580 1.00 9.54 H +ATOM 1279 HA ILE A 81 30.556 16.829 20.471 1.00 9.17 H +ATOM 1280 HB ILE A 81 31.886 15.821 18.777 1.00 10.51 H +ATOM 1281 HG12 ILE A 81 34.193 15.798 20.739 1.00 11.78 H +ATOM 1282 HG13 ILE A 81 33.302 14.324 20.325 1.00 11.48 H +ATOM 1283 HG21 ILE A 81 31.960 18.253 19.219 1.00 10.69 H +ATOM 1284 HG22 ILE A 81 33.489 17.980 20.111 1.00 10.79 H +ATOM 1285 HG23 ILE A 81 33.374 17.608 18.367 1.00 10.44 H +ATOM 1286 HD11 ILE A 81 33.867 14.852 17.882 1.00 14.07 H +ATOM 1287 HD12 ILE A 81 35.082 15.968 18.628 1.00 13.69 H +ATOM 1288 HD13 ILE A 81 35.127 14.218 19.014 1.00 14.10 H +ATOM 1289 N THR A 82 29.978 14.351 20.061 1.00 8.05 N +ATOM 1290 CA THR A 82 29.454 12.967 20.011 1.00 8.47 C +ATOM 1291 C THR A 82 29.835 12.406 18.601 1.00 9.42 C +ATOM 1292 O THR A 82 29.450 13.050 17.608 1.00 10.11 O +ATOM 1293 CB THR A 82 27.984 12.813 20.247 1.00 8.38 C +ATOM 1294 OG1 THR A 82 27.674 13.294 21.584 1.00 10.61 O +ATOM 1295 CG2 THR A 82 27.510 11.393 20.178 1.00 9.78 C +ATOM 1296 H THR A 82 29.752 14.936 19.278 1.00 8.86 H +ATOM 1297 HA THR A 82 29.970 12.382 20.743 1.00 8.66 H +ATOM 1298 HB THR A 82 27.407 13.445 19.545 1.00 8.47 H +ATOM 1299 HG1 THR A 82 28.105 12.780 22.278 1.00 10.70 H +ATOM 1300 HG21 THR A 82 28.133 10.744 20.800 1.00 9.67 H +ATOM 1301 HG22 THR A 82 26.492 11.279 20.568 1.00 9.39 H +ATOM 1302 HG23 THR A 82 27.549 11.036 19.157 1.00 9.23 H +ATOM 1303 N ASP A 83 30.480 11.296 18.586 1.00 9.16 N +ATOM 1304 CA ASP A 83 30.802 10.613 17.349 1.00 10.63 C +ATOM 1305 C ASP A 83 29.774 9.502 17.129 1.00 9.53 C +ATOM 1306 O ASP A 83 29.473 8.760 18.068 1.00 9.99 O +ATOM 1307 CB AASP A 83 32.207 9.993 17.426 0.50 13.74 C +ATOM 1308 CB BASP A 83 32.231 10.014 17.350 0.50 13.54 C +ATOM 1309 CG AASP A 83 33.132 10.749 16.510 0.50 16.63 C +ATOM 1310 CG BASP A 83 32.552 9.259 16.087 0.50 15.96 C +ATOM 1311 OD1AASP A 83 33.283 11.939 16.469 0.50 17.78 O +ATOM 1312 OD1BASP A 83 32.772 9.794 14.991 0.50 19.79 O +ATOM 1313 OD2AASP A 83 33.719 9.922 15.683 0.50 18.60 O +ATOM 1314 OD2BASP A 83 32.453 7.961 16.281 0.50 17.30 O +ATOM 1315 H ASP A 83 30.711 10.808 19.440 1.00 10.11 H +ATOM 1316 HA ASP A 83 30.812 11.265 16.518 1.00 10.78 H +ATOM 1317 HB2AASP A 83 32.575 10.072 18.429 0.50 13.65 H +ATOM 1318 HB2BASP A 83 32.944 10.798 17.494 0.50 13.41 H +ATOM 1319 HB3AASP A 83 32.217 8.946 17.186 0.50 13.71 H +ATOM 1320 HB3BASP A 83 32.345 9.358 18.204 0.50 13.43 H +ATOM 1321 N CYS A 84 29.217 9.431 15.916 1.00 9.13 N +ATOM 1322 CA CYS A 84 28.270 8.461 15.508 1.00 9.64 C +ATOM 1323 C CYS A 84 28.879 7.609 14.399 1.00 10.91 C +ATOM 1324 O CYS A 84 29.260 8.210 13.401 1.00 11.86 O +ATOM 1325 CB CYS A 84 26.994 9.142 14.987 1.00 9.17 C +ATOM 1326 SG CYS A 84 26.141 10.139 16.242 1.00 9.17 S +ATOM 1327 H CYS A 84 29.520 10.084 15.200 1.00 9.94 H +ATOM 1328 HA CYS A 84 27.943 7.828 16.285 1.00 9.79 H +ATOM 1329 HB2 CYS A 84 27.280 9.847 14.220 1.00 8.89 H +ATOM 1330 HB3 CYS A 84 26.321 8.428 14.619 1.00 9.14 H +ATOM 1331 N ARG A 85 28.896 6.328 14.615 1.00 11.26 N +ATOM 1332 CA ARG A 85 29.483 5.397 13.585 1.00 12.74 C +ATOM 1333 C ARG A 85 28.514 4.240 13.352 1.00 11.60 C +ATOM 1334 O ARG A 85 27.999 3.665 14.289 1.00 10.89 O +ATOM 1335 CB AARG A 85 30.773 4.768 14.044 0.50 16.60 C +ATOM 1336 CB BARG A 85 30.896 5.015 14.029 0.50 17.24 C +ATOM 1337 CG AARG A 85 31.797 4.443 12.971 0.50 20.26 C +ATOM 1338 CG BARG A 85 31.439 3.624 13.812 0.50 21.52 C +ATOM 1339 CD AARG A 85 32.783 5.562 12.823 0.50 23.67 C +ATOM 1340 CD BARG A 85 30.994 2.644 14.876 0.50 24.72 C +ATOM 1341 NE AARG A 85 33.478 5.806 14.079 0.50 26.55 N +ATOM 1342 NE BARG A 85 30.868 1.252 14.442 0.50 26.94 N +ATOM 1343 CZ AARG A 85 34.256 6.855 14.318 0.50 27.79 C +ATOM 1344 CZ BARG A 85 31.873 0.418 14.250 0.50 28.30 C +ATOM 1345 NH1AARG A 85 34.525 7.793 13.415 0.50 27.49 N +ATOM 1346 NH1BARG A 85 33.142 0.774 14.531 0.50 28.69 N +ATOM 1347 NH2AARG A 85 34.788 6.963 15.546 0.50 28.91 N +ATOM 1348 NH2BARG A 85 31.632 -0.806 13.771 0.50 28.77 N +ATOM 1349 H ARG A 85 28.563 5.906 15.453 1.00 11.09 H +ATOM 1350 HA ARG A 85 29.614 5.946 12.693 1.00 13.46 H +ATOM 1351 HB2AARG A 85 31.153 5.409 14.830 0.50 16.75 H +ATOM 1352 HB2BARG A 85 31.568 5.778 13.609 0.50 17.01 H +ATOM 1353 HB3AARG A 85 30.542 3.861 14.624 0.50 16.69 H +ATOM 1354 HB3BARG A 85 30.943 5.252 15.098 0.50 17.35 H +ATOM 1355 HG2AARG A 85 32.314 3.555 13.151 0.50 20.24 H +ATOM 1356 HG2BARG A 85 31.142 3.228 12.860 0.50 21.45 H +ATOM 1357 HG3AARG A 85 31.323 4.300 12.018 0.50 20.18 H +ATOM 1358 HG3BARG A 85 32.491 3.615 13.778 0.50 21.44 H +ATOM 1359 HD2AARG A 85 33.442 5.404 12.019 0.50 23.55 H +ATOM 1360 HD2BARG A 85 31.778 2.682 15.623 0.50 24.66 H +ATOM 1361 HD3AARG A 85 32.223 6.430 12.553 0.50 23.53 H +ATOM 1362 HD3BARG A 85 30.141 2.953 15.380 0.50 24.76 H +ATOM 1363 HE AARG A 85 33.378 5.154 14.865 0.50 28.36 H +ATOM 1364 HE BARG A 85 29.942 0.904 14.199 0.50 27.27 H +ATOM 1365 HH11AARG A 85 35.130 8.570 13.671 0.50 27.49 H +ATOM 1366 HH11BARG A 85 33.884 0.091 14.365 0.50 28.49 H +ATOM 1367 HH12AARG A 85 34.162 7.756 12.481 0.50 27.53 H +ATOM 1368 HH12BARG A 85 33.398 1.670 14.890 0.50 28.37 H +ATOM 1369 HH21AARG A 85 34.628 6.288 16.268 0.50 29.02 H +ATOM 1370 HH21BARG A 85 30.712 -1.115 13.546 0.50 28.51 H +ATOM 1371 HH22AARG A 85 35.385 7.761 15.744 0.50 28.48 H +ATOM 1372 HH22BARG A 85 32.417 -1.433 13.631 0.50 28.50 H +ATOM 1373 N GLU A 86 28.276 3.976 12.056 1.00 10.69 N +ATOM 1374 CA GLU A 86 27.370 2.907 11.686 1.00 10.91 C +ATOM 1375 C GLU A 86 27.879 1.545 12.210 1.00 11.78 C +ATOM 1376 O GLU A 86 29.076 1.258 12.206 1.00 12.98 O +ATOM 1377 CB GLU A 86 27.262 2.935 10.170 1.00 13.94 C +ATOM 1378 CG GLU A 86 26.111 2.267 9.637 1.00 15.98 C +ATOM 1379 CD GLU A 86 25.902 2.215 8.097 1.00 13.92 C +ATOM 1380 OE1 GLU A 86 24.849 1.865 7.765 1.00 13.74 O +ATOM 1381 OE2 GLU A 86 26.905 2.571 7.451 1.00 16.08 O +ATOM 1382 H GLU A 86 28.733 4.488 11.331 1.00 11.28 H +ATOM 1383 HA GLU A 86 26.431 3.108 12.117 1.00 11.25 H +ATOM 1384 HB2 GLU A 86 27.255 3.983 9.843 1.00 13.58 H +ATOM 1385 HB3 GLU A 86 28.206 2.519 9.768 1.00 13.90 H +ATOM 1386 HG2 GLU A 86 26.205 1.191 9.887 1.00 15.34 H +ATOM 1387 HG3 GLU A 86 25.142 2.554 10.032 1.00 15.45 H +ATOM 1388 N THR A 87 26.944 0.792 12.745 1.00 11.34 N +ATOM 1389 CA THR A 87 27.206 -0.550 13.332 1.00 11.89 C +ATOM 1390 C THR A 87 27.039 -1.594 12.228 1.00 11.66 C +ATOM 1391 O THR A 87 26.424 -1.364 11.188 1.00 11.50 O +ATOM 1392 CB THR A 87 26.320 -0.895 14.522 1.00 13.80 C +ATOM 1393 OG1 THR A 87 25.043 -1.219 14.038 1.00 15.31 O +ATOM 1394 CG2 THR A 87 26.281 0.196 15.546 1.00 15.47 C +ATOM 1395 H THR A 87 25.972 1.060 12.750 1.00 11.48 H +ATOM 1396 HA THR A 87 28.217 -0.556 13.680 1.00 12.17 H +ATOM 1397 HB THR A 87 26.750 -1.813 15.012 1.00 14.28 H +ATOM 1398 HG1 THR A 87 24.361 -1.371 14.723 1.00 16.46 H +ATOM 1399 HG21 THR A 87 26.268 1.195 15.148 1.00 15.47 H +ATOM 1400 HG22 THR A 87 25.403 0.084 16.228 1.00 15.10 H +ATOM 1401 HG23 THR A 87 27.187 0.102 16.176 1.00 15.32 H +ATOM 1402 N GLY A 88 27.546 -2.806 12.587 1.00 11.38 N +ATOM 1403 CA GLY A 88 27.478 -3.934 11.661 1.00 11.93 C +ATOM 1404 C GLY A 88 26.085 -4.331 11.360 1.00 12.66 C +ATOM 1405 O GLY A 88 25.864 -4.955 10.285 1.00 14.60 O +ATOM 1406 H GLY A 88 28.016 -2.955 13.435 1.00 11.69 H +ATOM 1407 HA2 GLY A 88 28.005 -3.684 10.765 1.00 11.84 H +ATOM 1408 HA3 GLY A 88 28.041 -4.767 12.135 1.00 11.82 H +ATOM 1409 N SER A 89 25.104 -4.060 12.221 1.00 11.20 N +ATOM 1410 CA SER A 89 23.732 -4.382 12.046 1.00 13.18 C +ATOM 1411 C SER A 89 22.873 -3.330 11.295 1.00 13.30 C +ATOM 1412 O SER A 89 21.697 -3.545 11.036 1.00 15.20 O +ATOM 1413 CB SER A 89 23.057 -4.693 13.350 1.00 13.86 C +ATOM 1414 OG SER A 89 23.609 -5.934 13.770 1.00 17.59 O +ATOM 1415 H SER A 89 25.350 -3.557 13.072 1.00 12.27 H +ATOM 1416 HA SER A 89 23.662 -5.309 11.481 1.00 13.29 H +ATOM 1417 HB2 SER A 89 23.233 -3.922 14.106 1.00 14.06 H +ATOM 1418 HB3 SER A 89 21.998 -4.819 13.207 1.00 14.58 H +ATOM 1419 HG SER A 89 23.206 -6.641 13.256 1.00 17.03 H +ATOM 1420 N SER A 90 23.485 -2.252 10.959 1.00 13.03 N +ATOM 1421 CA SER A 90 22.792 -1.132 10.239 1.00 12.61 C +ATOM 1422 C SER A 90 22.340 -1.641 8.846 1.00 13.43 C +ATOM 1423 O SER A 90 23.204 -2.172 8.151 1.00 15.28 O +ATOM 1424 CB SER A 90 23.758 -0.043 10.138 1.00 10.62 C +ATOM 1425 OG SER A 90 23.088 1.119 9.621 1.00 11.81 O +ATOM 1426 H SER A 90 24.455 -2.061 11.163 1.00 13.39 H +ATOM 1427 HA SER A 90 21.949 -0.825 10.784 1.00 12.25 H +ATOM 1428 HB2 SER A 90 24.235 0.243 11.077 1.00 10.63 H +ATOM 1429 HB3 SER A 90 24.543 -0.282 9.418 1.00 10.82 H +ATOM 1430 HG SER A 90 23.054 1.057 8.679 1.00 11.86 H +ATOM 1431 N LYS A 91 21.099 -1.388 8.565 1.00 13.82 N +ATOM 1432 CA LYS A 91 20.555 -1.790 7.259 1.00 15.19 C +ATOM 1433 C LYS A 91 19.381 -0.873 6.878 1.00 12.54 C +ATOM 1434 O LYS A 91 18.371 -0.880 7.509 1.00 13.58 O +ATOM 1435 CB ALYS A 91 20.097 -3.230 7.331 0.50 18.45 C +ATOM 1436 CB BLYS A 91 20.172 -3.251 7.173 0.50 18.08 C +ATOM 1437 CG ALYS A 91 19.393 -3.763 6.070 0.50 21.26 C +ATOM 1438 CG BLYS A 91 20.096 -3.678 5.688 0.50 20.24 C +ATOM 1439 CD ALYS A 91 19.509 -5.270 5.948 0.50 23.60 C +ATOM 1440 CD BLYS A 91 19.693 -5.100 5.427 0.50 22.86 C +ATOM 1441 CE ALYS A 91 18.897 -5.798 4.664 0.50 25.10 C +ATOM 1442 CE BLYS A 91 19.632 -5.427 3.945 0.50 24.54 C +ATOM 1443 NZ ALYS A 91 17.423 -5.762 4.728 0.50 26.21 N +ATOM 1444 NZ BLYS A 91 20.927 -5.262 3.251 0.50 25.84 N +ATOM 1445 H LYS A 91 20.464 -0.929 9.185 1.00 13.78 H +ATOM 1446 HA LYS A 91 21.334 -1.662 6.532 1.00 15.35 H +ATOM 1447 HB2ALYS A 91 20.959 -3.863 7.560 0.50 18.56 H +ATOM 1448 HB2BLYS A 91 20.919 -3.871 7.664 0.50 18.16 H +ATOM 1449 HB3ALYS A 91 19.386 -3.300 8.171 0.50 18.36 H +ATOM 1450 HB3BLYS A 91 19.201 -3.387 7.643 0.50 18.01 H +ATOM 1451 HG2ALYS A 91 18.342 -3.458 6.069 0.50 21.14 H +ATOM 1452 HG2BLYS A 91 19.377 -3.002 5.172 0.50 20.51 H +ATOM 1453 HG3ALYS A 91 19.834 -3.316 5.177 0.50 21.39 H +ATOM 1454 HG3BLYS A 91 21.062 -3.494 5.211 0.50 20.47 H +ATOM 1455 HD2ALYS A 91 20.574 -5.542 5.925 0.50 23.60 H +ATOM 1456 HD2BLYS A 91 20.395 -5.792 5.891 0.50 22.87 H +ATOM 1457 HD3ALYS A 91 19.058 -5.754 6.812 0.50 23.54 H +ATOM 1458 HD3BLYS A 91 18.702 -5.290 5.870 0.50 22.79 H +ATOM 1459 HE2ALYS A 91 19.212 -5.204 3.809 0.50 25.23 H +ATOM 1460 HE2BLYS A 91 19.299 -6.453 3.793 0.50 24.60 H +ATOM 1461 HE3ALYS A 91 19.187 -6.839 4.504 0.50 25.15 H +ATOM 1462 HE3BLYS A 91 18.925 -4.751 3.453 0.50 24.60 H +ATOM 1463 HZ1ALYS A 91 17.049 -6.050 5.641 0.50 26.18 H +ATOM 1464 HZ1BLYS A 91 21.710 -5.538 3.832 0.50 25.69 H +ATOM 1465 HZ2ALYS A 91 17.082 -4.820 4.555 0.50 26.18 H +ATOM 1466 HZ2BLYS A 91 20.911 -5.804 2.371 0.50 25.69 H +ATOM 1467 HZ3ALYS A 91 17.040 -6.429 4.040 0.50 26.19 H +ATOM 1468 HZ3BLYS A 91 21.091 -4.283 2.975 0.50 25.67 H +ATOM 1469 N TYR A 92 19.657 -0.104 5.865 1.00 12.58 N +ATOM 1470 CA TYR A 92 18.656 0.896 5.387 1.00 13.10 C +ATOM 1471 C TYR A 92 17.278 0.236 5.168 1.00 13.53 C +ATOM 1472 O TYR A 92 17.300 -0.807 4.538 1.00 14.78 O +ATOM 1473 CB TYR A 92 19.152 1.481 4.054 1.00 12.08 C +ATOM 1474 CG TYR A 92 18.257 2.577 3.595 1.00 11.51 C +ATOM 1475 CD1 TYR A 92 18.393 3.903 4.069 1.00 11.11 C +ATOM 1476 CD2 TYR A 92 17.201 2.300 2.701 1.00 12.74 C +ATOM 1477 CE1 TYR A 92 17.535 4.887 3.641 1.00 11.59 C +ATOM 1478 CE2 TYR A 92 16.355 3.284 2.291 1.00 12.10 C +ATOM 1479 CZ TYR A 92 16.498 4.556 2.735 1.00 11.89 C +ATOM 1480 OH TYR A 92 15.654 5.516 2.273 1.00 13.79 O +ATOM 1481 H TYR A 92 20.528 -0.087 5.364 1.00 13.58 H +ATOM 1482 HA TYR A 92 18.623 1.685 6.071 1.00 12.99 H +ATOM 1483 HB2 TYR A 92 20.180 1.826 4.172 1.00 12.07 H +ATOM 1484 HB3 TYR A 92 19.168 0.657 3.347 1.00 11.87 H +ATOM 1485 HD1 TYR A 92 19.189 4.134 4.758 1.00 11.29 H +ATOM 1486 HD2 TYR A 92 17.081 1.272 2.345 1.00 12.33 H +ATOM 1487 HE1 TYR A 92 17.660 5.899 3.982 1.00 12.00 H +ATOM 1488 HE2 TYR A 92 15.547 3.053 1.573 1.00 12.36 H +ATOM 1489 HH TYR A 92 14.733 5.220 2.127 1.00 13.43 H +ATOM 1490 N PRO A 93 16.213 0.874 5.626 1.00 14.62 N +ATOM 1491 CA PRO A 93 16.084 2.138 6.263 1.00 14.65 C +ATOM 1492 C PRO A 93 16.339 2.157 7.755 1.00 14.62 C +ATOM 1493 O PRO A 93 16.241 3.235 8.341 1.00 15.63 O +ATOM 1494 CB PRO A 93 14.660 2.640 5.853 1.00 14.57 C +ATOM 1495 CG PRO A 93 13.868 1.381 5.854 1.00 15.14 C +ATOM 1496 CD PRO A 93 14.809 0.303 5.356 1.00 14.76 C +ATOM 1497 HA PRO A 93 16.790 2.876 6.079 1.00 14.63 H +ATOM 1498 HB2 PRO A 93 14.287 3.342 6.434 1.00 14.35 H +ATOM 1499 HB3 PRO A 93 14.720 3.123 4.916 1.00 14.41 H +ATOM 1500 HG2 PRO A 93 13.567 1.175 6.702 1.00 14.86 H +ATOM 1501 HG3 PRO A 93 13.002 1.413 5.200 1.00 14.96 H +ATOM 1502 HD2 PRO A 93 14.705 -0.608 5.886 1.00 14.90 H +ATOM 1503 HD3 PRO A 93 14.732 0.084 4.308 1.00 14.76 H +ATOM 1504 N ASN A 94 16.685 0.996 8.270 1.00 15.58 N +ATOM 1505 CA ASN A 94 16.942 0.899 9.749 1.00 17.10 C +ATOM 1506 C ASN A 94 18.433 1.082 10.069 1.00 14.72 C +ATOM 1507 O ASN A 94 19.147 0.161 10.391 1.00 14.76 O +ATOM 1508 CB ASN A 94 16.341 -0.419 10.265 1.00 22.03 C +ATOM 1509 CG ASN A 94 14.812 -0.502 10.069 1.00 25.63 C +ATOM 1510 OD1 ASN A 94 14.041 0.403 10.443 1.00 28.37 O +ATOM 1511 ND2 ASN A 94 14.388 -1.568 9.406 1.00 27.65 N +ATOM 1512 H ASN A 94 16.758 0.149 7.781 1.00 14.86 H +ATOM 1513 HA ASN A 94 16.356 1.635 10.232 1.00 17.26 H +ATOM 1514 HB2 ASN A 94 16.834 -1.250 9.784 1.00 21.85 H +ATOM 1515 HB3 ASN A 94 16.529 -0.509 11.331 1.00 22.14 H +ATOM 1516 HD21 ASN A 94 15.027 -2.286 9.087 1.00 26.86 H +ATOM 1517 HD22 ASN A 94 13.380 -1.689 9.221 1.00 26.95 H +ATOM 1518 N CYS A 95 18.822 2.350 9.914 1.00 13.50 N +ATOM 1519 CA CYS A 95 20.230 2.728 10.122 1.00 12.35 C +ATOM 1520 C CYS A 95 20.508 2.682 11.620 1.00 12.71 C +ATOM 1521 O CYS A 95 19.671 3.170 12.395 1.00 14.20 O +ATOM 1522 CB CYS A 95 20.477 4.112 9.552 1.00 10.83 C +ATOM 1523 SG CYS A 95 20.072 4.266 7.791 1.00 10.89 S +ATOM 1524 H CYS A 95 18.222 3.089 9.631 1.00 14.07 H +ATOM 1525 HA CYS A 95 20.830 2.059 9.577 1.00 12.22 H +ATOM 1526 HB2 CYS A 95 19.880 4.838 10.066 1.00 10.75 H +ATOM 1527 HB3 CYS A 95 21.516 4.366 9.627 1.00 10.38 H +ATOM 1528 N ALA A 96 21.644 2.122 11.943 1.00 11.08 N +ATOM 1529 CA ALA A 96 22.021 1.934 13.355 1.00 11.55 C +ATOM 1530 C ALA A 96 23.455 2.410 13.541 1.00 10.02 C +ATOM 1531 O ALA A 96 24.309 2.193 12.744 1.00 9.94 O +ATOM 1532 CB ALA A 96 21.894 0.454 13.742 1.00 12.72 C +ATOM 1533 H ALA A 96 22.260 1.769 11.296 1.00 11.72 H +ATOM 1534 HA ALA A 96 21.366 2.484 13.980 1.00 11.31 H +ATOM 1535 HB1 ALA A 96 22.056 -0.181 12.895 1.00 12.13 H +ATOM 1536 HB2 ALA A 96 22.604 0.217 14.523 1.00 12.13 H +ATOM 1537 HB3 ALA A 96 20.899 0.277 14.129 1.00 12.35 H +ATOM 1538 N TYR A 97 23.631 3.082 14.678 1.00 9.85 N +ATOM 1539 CA TYR A 97 24.868 3.697 15.059 1.00 9.55 C +ATOM 1540 C TYR A 97 25.367 3.447 16.497 1.00 8.98 C +ATOM 1541 O TYR A 97 24.502 3.294 17.403 1.00 10.31 O +ATOM 1542 CB TYR A 97 24.679 5.324 15.011 1.00 8.88 C +ATOM 1543 CG TYR A 97 24.350 5.734 13.552 1.00 8.11 C +ATOM 1544 CD1 TYR A 97 25.372 5.985 12.683 1.00 8.27 C +ATOM 1545 CD2 TYR A 97 23.056 5.751 13.108 1.00 9.08 C +ATOM 1546 CE1 TYR A 97 25.132 6.255 11.341 1.00 9.55 C +ATOM 1547 CE2 TYR A 97 22.781 6.054 11.763 1.00 8.97 C +ATOM 1548 CZ TYR A 97 23.819 6.271 10.898 1.00 9.14 C +ATOM 1549 OH TYR A 97 23.522 6.571 9.597 1.00 11.47 O +ATOM 1550 H TYR A 97 22.849 3.263 15.310 1.00 10.49 H +ATOM 1551 HA TYR A 97 25.610 3.525 14.347 1.00 9.39 H +ATOM 1552 HB2 TYR A 97 23.892 5.536 15.695 1.00 8.16 H +ATOM 1553 HB3 TYR A 97 25.596 5.721 15.333 1.00 8.17 H +ATOM 1554 HD1 TYR A 97 26.426 5.941 13.008 1.00 8.40 H +ATOM 1555 HD2 TYR A 97 22.226 5.535 13.782 1.00 8.72 H +ATOM 1556 HE1 TYR A 97 25.976 6.456 10.687 1.00 8.90 H +ATOM 1557 HE2 TYR A 97 21.748 6.068 11.409 1.00 9.17 H +ATOM 1558 HH TYR A 97 24.102 6.102 8.973 1.00 11.20 H +ATOM 1559 N LYS A 98 26.647 3.470 16.601 1.00 9.50 N +ATOM 1560 CA LYS A 98 27.288 3.450 17.931 1.00 11.02 C +ATOM 1561 C LYS A 98 27.562 4.972 18.293 1.00 10.66 C +ATOM 1562 O LYS A 98 28.094 5.681 17.451 1.00 10.94 O +ATOM 1563 CB ALYS A 98 28.628 2.761 17.826 0.50 13.92 C +ATOM 1564 CB BLYS A 98 28.630 2.752 17.963 0.50 13.82 C +ATOM 1565 CG ALYS A 98 29.486 2.691 19.097 0.50 16.49 C +ATOM 1566 CG BLYS A 98 29.343 2.722 19.314 0.50 16.34 C +ATOM 1567 CD ALYS A 98 28.922 1.673 20.046 0.50 18.93 C +ATOM 1568 CD BLYS A 98 30.756 2.149 19.238 0.50 18.83 C +ATOM 1569 CE ALYS A 98 29.453 1.674 21.471 0.50 21.31 C +ATOM 1570 CE BLYS A 98 31.385 2.050 20.608 0.50 21.17 C +ATOM 1571 NZ ALYS A 98 28.549 0.774 22.275 0.50 21.98 N +ATOM 1572 NZ BLYS A 98 31.466 3.289 21.419 0.50 22.62 N +ATOM 1573 H LYS A 98 27.285 3.674 15.861 1.00 9.26 H +ATOM 1574 HA LYS A 98 26.660 3.054 18.655 1.00 11.28 H +ATOM 1575 HB2ALYS A 98 28.506 1.747 17.433 0.50 13.93 H +ATOM 1576 HB2BLYS A 98 28.559 1.745 17.568 0.50 13.84 H +ATOM 1577 HB3ALYS A 98 29.215 3.330 17.071 0.50 13.88 H +ATOM 1578 HB3BLYS A 98 29.278 3.354 17.292 0.50 13.83 H +ATOM 1579 HG2ALYS A 98 30.524 2.414 18.813 0.50 16.58 H +ATOM 1580 HG2BLYS A 98 29.432 3.746 19.724 0.50 16.31 H +ATOM 1581 HG3ALYS A 98 29.564 3.659 19.572 0.50 16.46 H +ATOM 1582 HG3BLYS A 98 28.773 2.155 20.040 0.50 16.30 H +ATOM 1583 HD2ALYS A 98 27.835 1.771 20.144 0.50 19.09 H +ATOM 1584 HD2BLYS A 98 30.710 1.156 18.799 0.50 18.74 H +ATOM 1585 HD3ALYS A 98 29.093 0.662 19.632 0.50 19.08 H +ATOM 1586 HD3BLYS A 98 31.373 2.778 18.593 0.50 18.75 H +ATOM 1587 HE2ALYS A 98 30.448 1.276 21.537 0.50 21.22 H +ATOM 1588 HE2BLYS A 98 30.853 1.310 21.215 0.50 21.22 H +ATOM 1589 HE3ALYS A 98 29.386 2.655 21.918 0.50 21.13 H +ATOM 1590 HE3BLYS A 98 32.426 1.701 20.510 0.50 21.24 H +ATOM 1591 HZ1ALYS A 98 28.529 -0.153 21.862 0.50 22.02 H +ATOM 1592 HZ1BLYS A 98 31.563 4.108 20.827 0.50 22.60 H +ATOM 1593 HZ2ALYS A 98 28.901 0.685 23.236 0.50 22.03 H +ATOM 1594 HZ2BLYS A 98 30.654 3.359 22.041 0.50 22.37 H +ATOM 1595 HZ3ALYS A 98 27.629 1.200 22.343 0.50 21.99 H +ATOM 1596 HZ3BLYS A 98 32.304 3.292 22.025 0.50 22.40 H +ATOM 1597 N THR A 99 27.219 5.287 19.526 1.00 9.52 N +ATOM 1598 CA THR A 99 27.414 6.613 20.086 1.00 10.44 C +ATOM 1599 C THR A 99 28.700 6.627 20.975 1.00 11.59 C +ATOM 1600 O THR A 99 28.785 5.791 21.926 1.00 12.28 O +ATOM 1601 CB THR A 99 26.184 6.914 20.988 1.00 10.12 C +ATOM 1602 OG1 THR A 99 25.040 6.970 20.181 1.00 9.69 O +ATOM 1603 CG2 THR A 99 26.301 8.254 21.705 1.00 10.59 C +ATOM 1604 H THR A 99 26.797 4.629 20.149 1.00 10.84 H +ATOM 1605 HA THR A 99 27.482 7.349 19.350 1.00 10.30 H +ATOM 1606 HB THR A 99 26.091 6.102 21.734 1.00 9.85 H +ATOM 1607 HG1 THR A 99 24.725 6.079 19.914 1.00 10.15 H +ATOM 1608 HG21 THR A 99 27.176 8.377 22.277 1.00 10.18 H +ATOM 1609 HG22 THR A 99 26.209 9.051 20.938 1.00 10.45 H +ATOM 1610 HG23 THR A 99 25.415 8.356 22.354 1.00 9.90 H +ATOM 1611 N THR A 100 29.572 7.552 20.753 1.00 11.22 N +ATOM 1612 CA THR A 100 30.804 7.723 21.520 1.00 12.73 C +ATOM 1613 C THR A 100 30.918 9.187 21.920 1.00 13.32 C +ATOM 1614 O THR A 100 30.870 10.069 21.054 1.00 13.57 O +ATOM 1615 CB THR A 100 32.069 7.343 20.690 1.00 14.54 C +ATOM 1616 OG1 THR A 100 31.946 6.036 20.277 1.00 16.74 O +ATOM 1617 CG2 THR A 100 33.325 7.431 21.623 1.00 16.23 C +ATOM 1618 H THR A 100 29.432 8.212 19.989 1.00 11.42 H +ATOM 1619 HA THR A 100 30.794 7.097 22.372 1.00 12.71 H +ATOM 1620 HB THR A 100 32.169 8.034 19.857 1.00 14.25 H +ATOM 1621 HG1 THR A 100 31.658 5.375 20.942 1.00 16.22 H +ATOM 1622 HG21 THR A 100 33.145 6.936 22.542 1.00 15.63 H +ATOM 1623 HG22 THR A 100 34.177 6.973 21.078 1.00 16.06 H +ATOM 1624 HG23 THR A 100 33.564 8.480 21.761 1.00 15.82 H +ATOM 1625 N GLN A 101 31.120 9.423 23.186 1.00 14.66 N +ATOM 1626 CA GLN A 101 31.314 10.813 23.712 1.00 16.33 C +ATOM 1627 C GLN A 101 32.798 11.146 23.701 1.00 15.58 C +ATOM 1628 O GLN A 101 33.655 10.256 24.030 1.00 16.36 O +ATOM 1629 CB GLN A 101 30.929 10.937 25.184 1.00 22.15 C +ATOM 1630 CG GLN A 101 29.618 10.516 25.724 1.00 27.06 C +ATOM 1631 CD GLN A 101 29.550 10.645 27.263 1.00 31.07 C +ATOM 1632 OE1 GLN A 101 30.526 10.510 28.055 1.00 33.12 O +ATOM 1633 NE2 GLN A 101 28.329 10.936 27.698 1.00 32.14 N +ATOM 1634 H GLN A 101 31.186 8.692 23.868 1.00 14.58 H +ATOM 1635 HA GLN A 101 30.752 11.497 23.143 1.00 16.82 H +ATOM 1636 HB2 GLN A 101 31.729 10.387 25.751 1.00 21.95 H +ATOM 1637 HB3 GLN A 101 31.097 12.014 25.464 1.00 21.97 H +ATOM 1638 HG2 GLN A 101 28.748 11.031 25.331 1.00 27.07 H +ATOM 1639 HG3 GLN A 101 29.467 9.453 25.551 1.00 27.23 H +ATOM 1640 HE21 GLN A 101 27.552 11.040 27.072 1.00 29.73 H +ATOM 1641 HE22 GLN A 101 28.143 11.043 28.678 1.00 31.66 H +ATOM 1642 N ALA A 102 33.139 12.391 23.403 1.00 14.28 N +ATOM 1643 CA ALA A 102 34.560 12.789 23.426 1.00 14.37 C +ATOM 1644 C ALA A 102 34.615 14.278 23.683 1.00 13.40 C +ATOM 1645 O ALA A 102 33.664 15.016 23.596 1.00 12.68 O +ATOM 1646 CB ALA A 102 35.192 12.373 22.111 1.00 14.33 C +ATOM 1647 H ALA A 102 32.424 13.036 23.168 1.00 14.34 H +ATOM 1648 HA ALA A 102 35.081 12.285 24.208 1.00 14.16 H +ATOM 1649 HB1 ALA A 102 35.007 11.342 21.862 1.00 14.22 H +ATOM 1650 HB2 ALA A 102 34.807 12.973 21.294 1.00 14.40 H +ATOM 1651 HB3 ALA A 102 36.268 12.531 22.144 1.00 14.07 H +ATOM 1652 N ASN A 103 35.833 14.709 23.980 1.00 14.90 N +ATOM 1653 CA ASN A 103 36.138 16.172 24.199 1.00 16.06 C +ATOM 1654 C ASN A 103 37.386 16.417 23.348 1.00 14.92 C +ATOM 1655 O ASN A 103 38.449 15.966 23.775 1.00 15.99 O +ATOM 1656 CB ASN A 103 36.323 16.599 25.643 1.00 21.59 C +ATOM 1657 CG ASN A 103 35.059 16.758 26.458 1.00 26.08 C +ATOM 1658 OD1 ASN A 103 34.491 15.788 27.019 1.00 30.72 O +ATOM 1659 ND2 ASN A 103 34.567 17.993 26.576 1.00 28.40 N +ATOM 1660 H ASN A 103 36.641 14.117 24.016 1.00 14.56 H +ATOM 1661 HA ASN A 103 35.307 16.693 23.875 1.00 16.71 H +ATOM 1662 HB2 ASN A 103 36.995 15.886 26.127 1.00 21.55 H +ATOM 1663 HB3 ASN A 103 36.856 17.562 25.672 1.00 21.14 H +ATOM 1664 HD21 ASN A 103 33.720 18.172 27.123 1.00 27.73 H +ATOM 1665 HD22 ASN A 103 35.041 18.771 26.125 1.00 27.83 H +ATOM 1666 N LYS A 104 37.262 17.074 22.249 1.00 13.91 N +ATOM 1667 CA LYS A 104 38.356 17.236 21.307 1.00 13.32 C +ATOM 1668 C LYS A 104 38.295 18.577 20.639 1.00 11.70 C +ATOM 1669 O LYS A 104 37.276 19.238 20.681 1.00 11.73 O +ATOM 1670 CB ALYS A 104 38.225 16.128 20.249 0.50 14.85 C +ATOM 1671 CB BLYS A 104 38.162 16.194 20.200 0.50 15.42 C +ATOM 1672 CG ALYS A 104 38.637 14.774 20.799 0.50 16.49 C +ATOM 1673 CG BLYS A 104 37.898 14.760 20.565 0.50 17.56 C +ATOM 1674 CD ALYS A 104 38.731 13.719 19.716 0.50 19.42 C +ATOM 1675 CD BLYS A 104 39.118 13.954 20.884 0.50 20.34 C +ATOM 1676 CE ALYS A 104 39.325 12.418 20.234 0.50 21.73 C +ATOM 1677 CE BLYS A 104 38.825 12.456 20.910 0.50 22.55 C +ATOM 1678 NZ ALYS A 104 40.733 12.539 20.700 0.50 22.86 N +ATOM 1679 NZ BLYS A 104 38.725 11.845 19.548 0.50 24.22 N +ATOM 1680 H LYS A 104 36.332 17.366 21.935 1.00 14.43 H +ATOM 1681 HA LYS A 104 39.297 17.070 21.768 1.00 13.60 H +ATOM 1682 HB2ALYS A 104 37.167 16.109 19.962 0.50 14.84 H +ATOM 1683 HB2BLYS A 104 37.294 16.558 19.602 0.50 15.39 H +ATOM 1684 HB3ALYS A 104 38.823 16.383 19.382 0.50 14.92 H +ATOM 1685 HB3BLYS A 104 39.034 16.252 19.532 0.50 15.50 H +ATOM 1686 HG2ALYS A 104 39.610 14.852 21.287 0.50 16.71 H +ATOM 1687 HG2BLYS A 104 37.202 14.663 21.412 0.50 17.66 H +ATOM 1688 HG3ALYS A 104 37.931 14.433 21.574 0.50 16.59 H +ATOM 1689 HG3BLYS A 104 37.337 14.273 19.721 0.50 17.72 H +ATOM 1690 HD2ALYS A 104 37.736 13.523 19.303 0.50 19.31 H +ATOM 1691 HD2BLYS A 104 39.909 14.149 20.151 0.50 20.21 H +ATOM 1692 HD3ALYS A 104 39.361 14.075 18.904 0.50 19.44 H +ATOM 1693 HD3BLYS A 104 39.512 14.221 21.865 0.50 20.41 H +ATOM 1694 HE2ALYS A 104 38.744 12.075 21.095 0.50 21.79 H +ATOM 1695 HE2BLYS A 104 39.651 11.940 21.404 0.50 22.57 H +ATOM 1696 HE3ALYS A 104 39.306 11.646 19.466 0.50 21.78 H +ATOM 1697 HE3BLYS A 104 37.899 12.247 21.428 0.50 22.52 H +ATOM 1698 HZ1ALYS A 104 41.291 13.080 20.050 0.50 22.79 H +ATOM 1699 HZ1BLYS A 104 39.505 12.162 18.963 0.50 24.01 H +ATOM 1700 HZ2ALYS A 104 40.760 12.903 21.653 0.50 22.78 H +ATOM 1701 HZ2BLYS A 104 38.787 10.820 19.590 0.50 23.98 H +ATOM 1702 HZ3ALYS A 104 41.172 11.602 20.727 0.50 22.90 H +ATOM 1703 HZ3BLYS A 104 37.826 12.065 19.134 0.50 24.09 H +ATOM 1704 N HIS A 105 39.389 18.914 19.955 1.00 11.64 N +ATOM 1705 CA HIS A 105 39.408 20.143 19.191 1.00 11.82 C +ATOM 1706 C HIS A 105 38.673 19.746 17.890 1.00 11.80 C +ATOM 1707 O HIS A 105 38.758 18.608 17.473 1.00 12.42 O +ATOM 1708 CB HIS A 105 40.802 20.611 18.773 1.00 13.50 C +ATOM 1709 CG HIS A 105 41.691 20.885 19.977 1.00 15.81 C +ATOM 1710 ND1 HIS A 105 41.799 22.113 20.500 1.00 17.68 N +ATOM 1711 CD2 HIS A 105 42.454 19.978 20.690 1.00 16.69 C +ATOM 1712 CE1 HIS A 105 42.633 21.990 21.550 1.00 18.00 C +ATOM 1713 NE2 HIS A 105 42.995 20.736 21.700 1.00 18.54 N +ATOM 1714 H HIS A 105 40.184 18.317 19.895 1.00 12.47 H +ATOM 1715 HA HIS A 105 38.897 20.928 19.672 1.00 11.61 H +ATOM 1716 HB2 HIS A 105 41.252 19.846 18.135 1.00 13.29 H +ATOM 1717 HB3 HIS A 105 40.669 21.533 18.222 1.00 13.03 H +ATOM 1718 HD1 HIS A 105 41.376 23.004 20.208 1.00 16.72 H +ATOM 1719 HD2 HIS A 105 42.589 18.935 20.586 1.00 16.79 H +ATOM 1720 HE1 HIS A 105 42.917 22.807 22.173 1.00 17.40 H +ATOM 1721 HE2 HIS A 105 43.663 20.365 22.430 1.00 17.96 H +ATOM 1722 N ILE A 106 38.040 20.722 17.280 1.00 10.61 N +ATOM 1723 CA ILE A 106 37.336 20.475 16.023 1.00 10.59 C +ATOM 1724 C ILE A 106 38.065 21.263 14.886 1.00 10.46 C +ATOM 1725 O ILE A 106 38.640 22.299 15.130 1.00 10.81 O +ATOM 1726 CB ILE A 106 35.859 20.809 16.094 1.00 10.39 C +ATOM 1727 CG1 ILE A 106 35.585 22.254 16.335 1.00 12.99 C +ATOM 1728 CG2 ILE A 106 35.225 19.938 17.163 1.00 11.78 C +ATOM 1729 CD1 ILE A 106 34.123 22.700 16.040 1.00 13.16 C +ATOM 1730 H ILE A 106 38.006 21.652 17.640 1.00 11.19 H +ATOM 1731 HA ILE A 106 37.415 19.438 15.767 1.00 10.77 H +ATOM 1732 HB ILE A 106 35.440 20.496 15.134 1.00 11.04 H +ATOM 1733 HG12 ILE A 106 35.784 22.526 17.383 1.00 12.83 H +ATOM 1734 HG13 ILE A 106 36.197 22.901 15.723 1.00 12.70 H +ATOM 1735 HG21 ILE A 106 35.473 18.883 16.996 1.00 11.46 H +ATOM 1736 HG22 ILE A 106 35.633 20.226 18.144 1.00 11.46 H +ATOM 1737 HG23 ILE A 106 34.154 20.064 17.158 1.00 11.60 H +ATOM 1738 HD11 ILE A 106 33.899 22.474 14.995 1.00 13.03 H +ATOM 1739 HD12 ILE A 106 33.504 22.197 16.775 1.00 13.03 H +ATOM 1740 HD13 ILE A 106 34.093 23.771 16.245 1.00 13.29 H +ATOM 1741 N ILE A 107 37.932 20.702 13.701 1.00 9.22 N +ATOM 1742 CA ILE A 107 38.447 21.312 12.498 1.00 9.33 C +ATOM 1743 C ILE A 107 37.225 21.458 11.526 1.00 9.65 C +ATOM 1744 O ILE A 107 36.629 20.427 11.159 1.00 9.51 O +ATOM 1745 CB ILE A 107 39.573 20.547 11.821 1.00 8.85 C +ATOM 1746 CG1 ILE A 107 40.754 20.351 12.824 1.00 10.23 C +ATOM 1747 CG2 ILE A 107 40.087 21.276 10.601 1.00 9.25 C +ATOM 1748 CD1 ILE A 107 41.923 19.549 12.396 1.00 13.42 C +ATOM 1749 H ILE A 107 37.407 19.844 13.569 1.00 9.93 H +ATOM 1750 HA ILE A 107 38.806 22.251 12.763 1.00 9.36 H +ATOM 1751 HB ILE A 107 39.205 19.569 11.577 1.00 8.99 H +ATOM 1752 HG12 ILE A 107 41.105 21.325 13.135 1.00 9.89 H +ATOM 1753 HG13 ILE A 107 40.308 19.816 13.673 1.00 10.11 H +ATOM 1754 HG21 ILE A 107 39.315 21.646 9.938 1.00 8.95 H +ATOM 1755 HG22 ILE A 107 40.717 22.125 10.901 1.00 8.63 H +ATOM 1756 HG23 ILE A 107 40.717 20.592 10.006 1.00 8.66 H +ATOM 1757 HD11 ILE A 107 41.588 18.533 12.155 1.00 13.06 H +ATOM 1758 HD12 ILE A 107 42.442 19.996 11.521 1.00 12.90 H +ATOM 1759 HD13 ILE A 107 42.643 19.500 13.239 1.00 13.06 H +ATOM 1760 N VAL A 108 36.986 22.675 11.122 1.00 9.39 N +ATOM 1761 CA VAL A 108 35.904 22.994 10.148 1.00 9.10 C +ATOM 1762 C VAL A 108 36.445 23.781 8.947 1.00 9.17 C +ATOM 1763 O VAL A 108 37.411 24.483 9.096 1.00 10.27 O +ATOM 1764 CB VAL A 108 34.779 23.811 10.855 1.00 10.07 C +ATOM 1765 CG1 VAL A 108 34.149 23.003 12.008 1.00 11.96 C +ATOM 1766 CG2 VAL A 108 35.215 25.162 11.331 1.00 11.18 C +ATOM 1767 H VAL A 108 37.534 23.451 11.433 1.00 9.69 H +ATOM 1768 HA VAL A 108 35.446 22.088 9.846 1.00 9.18 H +ATOM 1769 HB VAL A 108 34.030 23.967 10.073 1.00 10.32 H +ATOM 1770 HG11 VAL A 108 34.201 21.954 11.858 1.00 11.29 H +ATOM 1771 HG12 VAL A 108 34.714 23.145 12.926 1.00 11.97 H +ATOM 1772 HG13 VAL A 108 33.142 23.280 12.246 1.00 11.56 H +ATOM 1773 HG21 VAL A 108 35.608 25.786 10.542 1.00 10.78 H +ATOM 1774 HG22 VAL A 108 34.365 25.704 11.746 1.00 11.15 H +ATOM 1775 HG23 VAL A 108 35.957 25.155 12.109 1.00 10.86 H +ATOM 1776 N ALA A 109 35.716 23.657 7.840 1.00 8.63 N +ATOM 1777 CA ALA A 109 35.991 24.450 6.631 1.00 9.18 C +ATOM 1778 C ALA A 109 34.957 25.619 6.693 1.00 9.27 C +ATOM 1779 O ALA A 109 33.820 25.402 7.029 1.00 9.09 O +ATOM 1780 CB ALA A 109 35.869 23.760 5.331 1.00 9.33 C +ATOM 1781 H ALA A 109 34.881 23.103 7.809 1.00 9.19 H +ATOM 1782 HA ALA A 109 36.954 24.865 6.730 1.00 9.71 H +ATOM 1783 HB1 ALA A 109 36.300 22.781 5.293 1.00 8.96 H +ATOM 1784 HB2 ALA A 109 34.833 23.688 5.011 1.00 8.76 H +ATOM 1785 HB3 ALA A 109 36.351 24.374 4.547 1.00 9.12 H +ATOM 1786 N CYS A 110 35.449 26.834 6.361 1.00 8.96 N +ATOM 1787 CA CYS A 110 34.641 28.025 6.403 1.00 9.99 C +ATOM 1788 C CYS A 110 34.521 28.686 5.026 1.00 11.40 C +ATOM 1789 O CYS A 110 35.477 28.649 4.248 1.00 11.32 O +ATOM 1790 CB CYS A 110 35.228 29.042 7.408 1.00 11.04 C +ATOM 1791 SG CYS A 110 35.295 28.305 9.081 1.00 11.44 S +ATOM 1792 H CYS A 110 36.412 26.930 6.108 1.00 9.40 H +ATOM 1793 HA CYS A 110 33.691 27.769 6.761 1.00 10.19 H +ATOM 1794 HB2 CYS A 110 36.230 29.268 7.144 1.00 10.61 H +ATOM 1795 HB3 CYS A 110 34.613 29.899 7.447 1.00 10.22 H +ATOM 1796 N GLU A 111 33.367 29.308 4.822 1.00 11.81 N +ATOM 1797 CA GLU A 111 33.165 30.049 3.541 1.00 13.71 C +ATOM 1798 C GLU A 111 32.134 31.166 3.768 1.00 14.64 C +ATOM 1799 O GLU A 111 31.371 31.069 4.676 1.00 14.31 O +ATOM 1800 CB GLU A 111 32.530 29.187 2.466 1.00 16.43 C +ATOM 1801 CG GLU A 111 33.278 27.966 2.027 1.00 21.69 C +ATOM 1802 CD GLU A 111 32.654 27.084 0.964 1.00 25.07 C +ATOM 1803 OE1 GLU A 111 33.113 25.955 0.766 1.00 27.22 O +ATOM 1804 OE2 GLU A 111 31.633 27.625 0.361 1.00 28.69 O +ATOM 1805 H GLU A 111 32.658 29.298 5.519 1.00 11.05 H +ATOM 1806 HA GLU A 111 34.081 30.456 3.207 1.00 14.09 H +ATOM 1807 HB2 GLU A 111 31.527 28.855 2.798 1.00 16.58 H +ATOM 1808 HB3 GLU A 111 32.329 29.819 1.606 1.00 17.03 H +ATOM 1809 HG2 GLU A 111 34.278 28.198 1.655 1.00 21.51 H +ATOM 1810 HG3 GLU A 111 33.447 27.314 2.885 1.00 21.25 H +ATOM 1811 N GLY A 112 32.149 32.095 2.803 1.00 15.14 N +ATOM 1812 CA GLY A 112 31.175 33.138 2.666 1.00 16.15 C +ATOM 1813 C GLY A 112 31.359 34.387 3.460 1.00 17.08 C +ATOM 1814 O GLY A 112 32.360 34.628 4.064 1.00 16.83 O +ATOM 1815 H GLY A 112 32.795 32.022 2.019 1.00 14.82 H +ATOM 1816 HA2 GLY A 112 31.132 33.391 1.592 1.00 16.24 H +ATOM 1817 HA3 GLY A 112 30.170 32.694 2.841 1.00 16.15 H +ATOM 1818 N ASN A 113 30.301 35.233 3.360 1.00 19.28 N +ATOM 1819 CA ASN A 113 30.280 36.487 4.124 1.00 22.60 C +ATOM 1820 C ASN A 113 28.855 36.591 4.716 1.00 22.26 C +ATOM 1821 O ASN A 113 27.912 36.738 3.868 1.00 23.79 O +ATOM 1822 CB ASN A 113 30.810 37.688 3.329 1.00 28.63 C +ATOM 1823 CG ASN A 113 30.648 38.972 4.118 1.00 33.57 C +ATOM 1824 OD1 ASN A 113 29.768 39.806 3.744 1.00 37.86 O +ATOM 1825 ND2 ASN A 113 31.420 39.138 5.210 1.00 35.48 N +ATOM 1826 H ASN A 113 29.475 35.003 2.850 1.00 18.76 H +ATOM 1827 HA ASN A 113 31.032 36.471 4.876 1.00 22.94 H +ATOM 1828 HB2 ASN A 113 31.861 37.546 3.098 1.00 28.49 H +ATOM 1829 HB3 ASN A 113 30.270 37.767 2.397 1.00 28.46 H +ATOM 1830 HD21 ASN A 113 32.092 38.435 5.441 1.00 34.57 H +ATOM 1831 HD22 ASN A 113 31.309 40.005 5.741 1.00 34.66 H +ATOM 1832 N PRO A 114 28.647 36.467 6.026 1.00 19.70 N +ATOM 1833 CA PRO A 114 29.614 36.247 7.061 1.00 18.02 C +ATOM 1834 C PRO A 114 30.338 34.860 6.807 1.00 15.76 C +ATOM 1835 O PRO A 114 29.769 33.925 6.192 1.00 14.87 O +ATOM 1836 CB PRO A 114 28.775 36.148 8.376 1.00 18.58 C +ATOM 1837 CG PRO A 114 27.338 36.287 8.045 1.00 19.66 C +ATOM 1838 CD PRO A 114 27.271 36.569 6.560 1.00 20.01 C +ATOM 1839 HA PRO A 114 30.305 37.055 7.154 1.00 18.24 H +ATOM 1840 HB2 PRO A 114 28.953 35.316 8.891 1.00 18.60 H +ATOM 1841 HB3 PRO A 114 29.135 36.901 9.033 1.00 18.49 H +ATOM 1842 HG2 PRO A 114 26.865 35.496 8.230 1.00 19.44 H +ATOM 1843 HG3 PRO A 114 26.815 37.084 8.560 1.00 19.60 H +ATOM 1844 HD2 PRO A 114 26.603 35.873 6.083 1.00 20.00 H +ATOM 1845 HD3 PRO A 114 26.878 37.553 6.315 1.00 20.28 H +ATOM 1846 N TYR A 115 31.523 34.826 7.300 1.00 14.43 N +ATOM 1847 CA TYR A 115 32.421 33.646 7.152 1.00 13.79 C +ATOM 1848 C TYR A 115 32.095 32.631 8.196 1.00 13.17 C +ATOM 1849 O TYR A 115 32.476 32.866 9.344 1.00 13.05 O +ATOM 1850 CB TYR A 115 33.832 34.185 7.237 1.00 15.13 C +ATOM 1851 CG TYR A 115 34.940 33.302 6.761 1.00 13.79 C +ATOM 1852 CD1 TYR A 115 34.961 32.843 5.421 1.00 13.97 C +ATOM 1853 CD2 TYR A 115 36.005 32.979 7.594 1.00 13.27 C +ATOM 1854 CE1 TYR A 115 35.984 32.064 4.918 1.00 14.29 C +ATOM 1855 CE2 TYR A 115 37.038 32.212 7.113 1.00 13.41 C +ATOM 1856 CZ TYR A 115 37.052 31.739 5.772 1.00 14.57 C +ATOM 1857 OH TYR A 115 38.078 31.024 5.325 1.00 15.51 O +ATOM 1858 H TYR A 115 31.962 35.592 7.780 1.00 15.41 H +ATOM 1859 HA TYR A 115 32.267 33.225 6.181 1.00 13.79 H +ATOM 1860 HB2 TYR A 115 33.840 35.116 6.607 1.00 14.93 H +ATOM 1861 HB3 TYR A 115 34.015 34.550 8.245 1.00 14.71 H +ATOM 1862 HD1 TYR A 115 34.144 33.100 4.761 1.00 14.23 H +ATOM 1863 HD2 TYR A 115 36.029 33.330 8.607 1.00 13.42 H +ATOM 1864 HE1 TYR A 115 35.980 31.727 3.897 1.00 14.19 H +ATOM 1865 HE2 TYR A 115 37.888 31.938 7.736 1.00 13.95 H +ATOM 1866 HH TYR A 115 37.827 30.197 4.864 1.00 15.27 H +ATOM 1867 N VAL A 116 31.457 31.559 7.768 1.00 11.28 N +ATOM 1868 CA VAL A 116 30.956 30.562 8.720 1.00 10.50 C +ATOM 1869 C VAL A 116 31.330 29.154 8.309 1.00 9.39 C +ATOM 1870 O VAL A 116 31.677 28.881 7.183 1.00 8.75 O +ATOM 1871 CB VAL A 116 29.396 30.786 8.751 1.00 11.29 C +ATOM 1872 CG1 VAL A 116 29.049 32.158 9.367 1.00 12.40 C +ATOM 1873 CG2 VAL A 116 28.729 30.611 7.389 1.00 12.30 C +ATOM 1874 H VAL A 116 31.146 31.455 6.829 1.00 12.32 H +ATOM 1875 HA VAL A 116 31.251 30.837 9.690 1.00 10.47 H +ATOM 1876 HB VAL A 116 28.998 30.026 9.391 1.00 11.51 H +ATOM 1877 HG11 VAL A 116 29.547 32.304 10.282 1.00 11.72 H +ATOM 1878 HG12 VAL A 116 29.339 32.942 8.702 1.00 12.19 H +ATOM 1879 HG13 VAL A 116 27.990 32.273 9.517 1.00 12.07 H +ATOM 1880 HG21 VAL A 116 29.137 29.815 6.804 1.00 11.90 H +ATOM 1881 HG22 VAL A 116 27.673 30.444 7.495 1.00 11.79 H +ATOM 1882 HG23 VAL A 116 28.828 31.504 6.780 1.00 11.59 H +ATOM 1883 N PRO A 117 31.178 28.232 9.269 1.00 9.42 N +ATOM 1884 CA PRO A 117 31.468 26.825 8.989 1.00 8.90 C +ATOM 1885 C PRO A 117 30.416 26.230 8.034 1.00 8.98 C +ATOM 1886 O PRO A 117 29.225 26.381 8.186 1.00 9.71 O +ATOM 1887 CB PRO A 117 31.341 26.095 10.337 1.00 10.12 C +ATOM 1888 CG PRO A 117 31.373 27.174 11.383 1.00 11.10 C +ATOM 1889 CD PRO A 117 30.841 28.445 10.728 1.00 10.64 C +ATOM 1890 HA PRO A 117 32.468 26.768 8.618 1.00 9.27 H +ATOM 1891 HB2 PRO A 117 30.510 25.553 10.423 1.00 9.92 H +ATOM 1892 HB3 PRO A 117 32.095 25.380 10.437 1.00 10.38 H +ATOM 1893 HG2 PRO A 117 30.738 26.969 12.050 1.00 11.03 H +ATOM 1894 HG3 PRO A 117 32.321 27.344 11.820 1.00 10.40 H +ATOM 1895 HD2 PRO A 117 29.815 28.583 10.913 1.00 10.78 H +ATOM 1896 HD3 PRO A 117 31.354 29.289 11.154 1.00 10.50 H +ATOM 1897 N VAL A 118 30.984 25.510 7.067 1.00 8.42 N +ATOM 1898 CA VAL A 118 30.199 24.806 6.062 1.00 9.93 C +ATOM 1899 C VAL A 118 30.470 23.318 5.991 1.00 11.18 C +ATOM 1900 O VAL A 118 29.741 22.570 5.330 1.00 12.25 O +ATOM 1901 CB VAL A 118 30.244 25.494 4.674 1.00 10.97 C +ATOM 1902 CG1 VAL A 118 29.704 26.913 4.765 1.00 11.29 C +ATOM 1903 CG2 VAL A 118 31.639 25.386 4.119 1.00 11.79 C +ATOM 1904 H VAL A 118 31.976 25.447 6.978 1.00 8.74 H +ATOM 1905 HA VAL A 118 29.147 24.925 6.315 1.00 10.29 H +ATOM 1906 HB VAL A 118 29.582 24.871 4.068 1.00 11.26 H +ATOM 1907 HG11 VAL A 118 28.727 26.940 5.204 1.00 10.62 H +ATOM 1908 HG12 VAL A 118 30.319 27.562 5.373 1.00 10.96 H +ATOM 1909 HG13 VAL A 118 29.614 27.388 3.814 1.00 10.95 H +ATOM 1910 HG21 VAL A 118 32.404 25.777 4.773 1.00 11.39 H +ATOM 1911 HG22 VAL A 118 31.919 24.363 3.898 1.00 11.54 H +ATOM 1912 HG23 VAL A 118 31.681 25.924 3.208 1.00 11.49 H +ATOM 1913 N HIS A 119 31.559 22.833 6.615 1.00 10.33 N +ATOM 1914 CA HIS A 119 31.921 21.422 6.588 1.00 10.50 C +ATOM 1915 C HIS A 119 32.648 21.104 7.883 1.00 10.16 C +ATOM 1916 O HIS A 119 33.454 21.868 8.347 1.00 10.37 O +ATOM 1917 CB HIS A 119 32.797 21.201 5.353 1.00 14.62 C +ATOM 1918 CG HIS A 119 33.676 20.032 5.314 1.00 18.83 C +ATOM 1919 ND1 HIS A 119 33.231 18.794 4.947 1.00 21.52 N +ATOM 1920 CD2 HIS A 119 35.026 19.963 5.611 1.00 21.08 C +ATOM 1921 CE1 HIS A 119 34.275 17.972 5.026 1.00 21.22 C +ATOM 1922 NE2 HIS A 119 35.386 18.662 5.425 1.00 22.00 N +ATOM 1923 H HIS A 119 32.149 23.441 7.123 1.00 10.58 H +ATOM 1924 HA HIS A 119 31.052 20.822 6.488 1.00 10.69 H +ATOM 1925 HB2 HIS A 119 32.121 21.164 4.446 1.00 14.46 H +ATOM 1926 HB3 HIS A 119 33.363 22.119 5.220 1.00 14.59 H +ATOM 1927 HD1 HIS A 119 32.293 18.483 4.670 1.00 20.63 H +ATOM 1928 HD2 HIS A 119 35.728 20.698 5.925 1.00 20.61 H +ATOM 1929 HE1 HIS A 119 34.262 16.940 4.798 1.00 20.93 H +ATOM 1930 HE2 HIS A 119 36.327 18.238 5.545 1.00 20.98 H +ATOM 1931 N PHE A 120 32.411 19.929 8.356 1.00 10.00 N +ATOM 1932 CA PHE A 120 33.115 19.358 9.579 1.00 9.79 C +ATOM 1933 C PHE A 120 34.188 18.483 9.001 1.00 10.02 C +ATOM 1934 O PHE A 120 33.898 17.433 8.363 1.00 11.23 O +ATOM 1935 CB PHE A 120 32.124 18.580 10.437 1.00 10.89 C +ATOM 1936 CG PHE A 120 32.747 18.220 11.776 1.00 11.78 C +ATOM 1937 CD1 PHE A 120 33.513 17.087 11.885 1.00 12.75 C +ATOM 1938 CD2 PHE A 120 32.529 19.069 12.843 1.00 13.70 C +ATOM 1939 CE1 PHE A 120 34.128 16.776 13.109 1.00 13.60 C +ATOM 1940 CE2 PHE A 120 33.124 18.742 14.095 1.00 15.76 C +ATOM 1941 CZ PHE A 120 33.928 17.636 14.158 1.00 14.14 C +ATOM 1942 H PHE A 120 31.780 19.255 7.944 1.00 10.66 H +ATOM 1943 HA PHE A 120 33.467 20.119 10.179 1.00 9.95 H +ATOM 1944 HB2 PHE A 120 31.255 19.208 10.563 1.00 10.77 H +ATOM 1945 HB3 PHE A 120 31.849 17.692 9.911 1.00 10.84 H +ATOM 1946 HD1 PHE A 120 33.665 16.485 11.062 1.00 12.98 H +ATOM 1947 HD2 PHE A 120 31.934 19.943 12.738 1.00 13.54 H +ATOM 1948 HE1 PHE A 120 34.720 15.910 13.196 1.00 13.56 H +ATOM 1949 HE2 PHE A 120 32.997 19.358 14.905 1.00 14.60 H +ATOM 1950 HZ PHE A 120 34.374 17.373 15.110 1.00 14.59 H +ATOM 1951 N ASP A 121 35.456 18.826 9.257 1.00 10.06 N +ATOM 1952 CA ASP A 121 36.574 18.085 8.688 1.00 10.32 C +ATOM 1953 C ASP A 121 37.052 16.994 9.556 1.00 10.77 C +ATOM 1954 O ASP A 121 37.267 15.882 9.087 1.00 12.92 O +ATOM 1955 CB ASP A 121 37.687 19.059 8.326 1.00 11.31 C +ATOM 1956 CG ASP A 121 38.591 18.482 7.257 1.00 13.70 C +ATOM 1957 OD1 ASP A 121 38.122 18.056 6.199 1.00 16.84 O +ATOM 1958 OD2 ASP A 121 39.825 18.370 7.422 1.00 12.97 O +ATOM 1959 H ASP A 121 35.662 19.677 9.743 1.00 10.06 H +ATOM 1960 HA ASP A 121 36.276 17.693 7.722 1.00 10.34 H +ATOM 1961 HB2 ASP A 121 37.260 19.981 7.972 1.00 11.21 H +ATOM 1962 HB3 ASP A 121 38.267 19.341 9.191 1.00 11.47 H +ATOM 1963 N ALA A 122 37.258 17.213 10.841 1.00 11.04 N +ATOM 1964 CA ALA A 122 37.795 16.256 11.776 1.00 11.38 C +ATOM 1965 C ALA A 122 37.751 16.751 13.219 1.00 11.84 C +ATOM 1966 O ALA A 122 37.542 17.927 13.504 1.00 11.77 O +ATOM 1967 CB ALA A 122 39.302 16.113 11.434 1.00 11.75 C +ATOM 1968 H ALA A 122 37.091 18.176 11.173 1.00 11.41 H +ATOM 1969 HA ALA A 122 37.368 15.299 11.679 1.00 11.15 H +ATOM 1970 HB1 ALA A 122 39.461 16.045 10.384 1.00 11.47 H +ATOM 1971 HB2 ALA A 122 39.839 16.994 11.764 1.00 11.08 H +ATOM 1972 HB3 ALA A 122 39.689 15.246 11.930 1.00 11.13 H +ATOM 1973 N SER A 123 37.991 15.807 14.114 1.00 14.08 N +ATOM 1974 CA SER A 123 38.148 16.103 15.564 1.00 15.31 C +ATOM 1975 C SER A 123 39.579 15.566 15.888 1.00 16.63 C +ATOM 1976 O SER A 123 39.948 14.450 15.404 1.00 17.90 O +ATOM 1977 CB SER A 123 37.080 15.578 16.451 1.00 16.86 C +ATOM 1978 OG SER A 123 37.175 14.180 16.495 1.00 20.43 O +ATOM 1979 H SER A 123 38.195 14.864 13.840 1.00 14.26 H +ATOM 1980 HA SER A 123 38.175 17.161 15.640 1.00 15.58 H +ATOM 1981 HB2 SER A 123 37.086 16.023 17.452 1.00 17.19 H +ATOM 1982 HB3 SER A 123 36.082 15.824 16.038 1.00 16.92 H +ATOM 1983 HG SER A 123 36.306 13.778 16.534 1.00 21.19 H +ATOM 1984 N VAL A 124 40.342 16.340 16.587 1.00 16.09 N +ATOM 1985 CA VAL A 124 41.740 15.965 16.948 1.00 17.88 C +ATOM 1986 C VAL A 124 41.922 16.191 18.440 1.00 20.04 C +ATOM 1987 O VAL A 124 42.843 15.448 18.971 1.00 22.34 O +ATOM 1988 CB VAL A 124 42.762 16.713 16.059 1.00 17.92 C +ATOM 1989 CG1 VAL A 124 42.668 16.292 14.591 1.00 17.93 C +ATOM 1990 CG2 VAL A 124 42.703 18.191 16.159 1.00 18.00 C +ATOM 1991 OXT VAL A 124 41.303 16.985 19.124 1.00 18.14 O +ATOM 1992 H VAL A 124 40.020 17.226 16.932 1.00 16.17 H +ATOM 1993 HA VAL A 124 41.844 14.898 16.753 1.00 17.83 H +ATOM 1994 HB VAL A 124 43.737 16.380 16.448 1.00 18.20 H +ATOM 1995 HG11 VAL A 124 42.829 15.229 14.496 1.00 17.76 H +ATOM 1996 HG12 VAL A 124 41.725 16.511 14.152 1.00 17.76 H +ATOM 1997 HG13 VAL A 124 43.444 16.755 14.027 1.00 17.86 H +ATOM 1998 HG21 VAL A 124 41.739 18.617 15.892 1.00 17.99 H +ATOM 1999 HG22 VAL A 124 42.923 18.535 17.158 1.00 18.18 H +ATOM 2000 HG23 VAL A 124 43.409 18.677 15.499 1.00 18.08 H +TER 2001 VAL A 124 +END diff --git a/bench/main_benchmark/structures/SFB_OL_RNASA_7RSAA_1A2WA/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_RNASA_7RSAA_1A2WA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..4a523eff42d8b837efd9be3fda8259ef12479a35 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_RNASA_7RSAA_1A2WA/state_b.pdb @@ -0,0 +1,953 @@ +ATOM 1 N LYS A 1 58.991 9.123 52.865 1.00 61.89 N +ATOM 2 CA LYS A 1 58.256 8.496 51.726 1.00 60.01 C +ATOM 3 C LYS A 1 56.979 7.852 52.249 1.00 55.13 C +ATOM 4 O LYS A 1 57.005 7.200 53.293 1.00 57.26 O +ATOM 5 CB LYS A 1 59.129 7.416 51.074 1.00 63.60 C +ATOM 6 CG LYS A 1 58.438 6.587 49.992 1.00 65.61 C +ATOM 7 CD LYS A 1 58.179 7.403 48.737 1.00 69.27 C +ATOM 8 CE LYS A 1 59.473 7.982 48.181 1.00 72.31 C +ATOM 9 NZ LYS A 1 60.511 6.931 47.976 1.00 75.44 N +ATOM 10 N GLU A 2 55.862 8.056 51.555 1.00 46.75 N +ATOM 11 CA GLU A 2 54.615 7.442 51.991 1.00 37.52 C +ATOM 12 C GLU A 2 54.574 6.021 51.469 1.00 30.81 C +ATOM 13 O GLU A 2 54.483 5.790 50.263 1.00 26.13 O +ATOM 14 CB GLU A 2 53.377 8.205 51.510 1.00 35.75 C +ATOM 15 CG GLU A 2 52.080 7.494 51.910 1.00 30.43 C +ATOM 16 CD GLU A 2 50.829 8.307 51.661 1.00 28.74 C +ATOM 17 OE1 GLU A 2 50.491 8.545 50.482 1.00 29.75 O +ATOM 18 OE2 GLU A 2 50.172 8.684 52.654 1.00 23.69 O +ATOM 19 N THR A 3 54.695 5.073 52.386 1.00 27.82 N +ATOM 20 CA THR A 3 54.667 3.665 52.038 1.00 27.40 C +ATOM 21 C THR A 3 53.230 3.230 51.772 1.00 25.19 C +ATOM 22 O THR A 3 52.280 3.934 52.127 1.00 24.99 O +ATOM 23 CB THR A 3 55.253 2.819 53.178 1.00 27.68 C +ATOM 24 OG1 THR A 3 54.509 3.054 54.383 1.00 27.89 O +ATOM 25 CG2 THR A 3 56.704 3.193 53.414 1.00 29.67 C +ATOM 26 N ALA A 4 53.077 2.067 51.153 1.00 23.55 N +ATOM 27 CA ALA A 4 51.758 1.528 50.859 1.00 20.25 C +ATOM 28 C ALA A 4 50.983 1.378 52.168 1.00 19.57 C +ATOM 29 O ALA A 4 49.780 1.639 52.227 1.00 19.77 O +ATOM 30 CB ALA A 4 51.892 0.189 50.165 1.00 18.67 C +ATOM 31 N ALA A 5 51.696 0.985 53.220 1.00 18.93 N +ATOM 32 CA ALA A 5 51.112 0.806 54.545 1.00 17.08 C +ATOM 33 C ALA A 5 50.582 2.126 55.099 1.00 16.67 C +ATOM 34 O ALA A 5 49.449 2.194 55.582 1.00 17.52 O +ATOM 35 CB ALA A 5 52.146 0.218 55.494 1.00 12.45 C +ATOM 36 N ALA A 6 51.403 3.171 55.024 1.00 16.66 N +ATOM 37 CA ALA A 6 51.023 4.492 55.519 1.00 16.23 C +ATOM 38 C ALA A 6 49.787 4.982 54.781 1.00 16.70 C +ATOM 39 O ALA A 6 48.854 5.507 55.393 1.00 15.23 O +ATOM 40 CB ALA A 6 52.171 5.475 55.339 1.00 17.64 C +ATOM 41 N LYS A 7 49.782 4.788 53.466 1.00 15.55 N +ATOM 42 CA LYS A 7 48.667 5.192 52.627 1.00 14.50 C +ATOM 43 C LYS A 7 47.389 4.487 53.075 1.00 15.20 C +ATOM 44 O LYS A 7 46.321 5.103 53.113 1.00 12.95 O +ATOM 45 CB LYS A 7 48.972 4.890 51.160 1.00 12.28 C +ATOM 46 CG LYS A 7 47.856 5.268 50.201 1.00 15.37 C +ATOM 47 CD LYS A 7 48.227 4.988 48.749 1.00 21.97 C +ATOM 48 CE LYS A 7 48.813 3.592 48.562 1.00 25.84 C +ATOM 49 NZ LYS A 7 47.940 2.502 49.094 1.00 36.09 N +ATOM 50 N PHE A 8 47.498 3.210 53.442 1.00 14.76 N +ATOM 51 CA PHE A 8 46.337 2.456 53.915 1.00 15.90 C +ATOM 52 C PHE A 8 45.770 3.098 55.180 1.00 15.67 C +ATOM 53 O PHE A 8 44.553 3.255 55.317 1.00 14.11 O +ATOM 54 CB PHE A 8 46.696 0.995 54.205 1.00 14.21 C +ATOM 55 CG PHE A 8 45.542 0.183 54.743 1.00 11.09 C +ATOM 56 CD1 PHE A 8 44.666 -0.463 53.876 1.00 9.76 C +ATOM 57 CD2 PHE A 8 45.315 0.086 56.115 1.00 8.92 C +ATOM 58 CE1 PHE A 8 43.583 -1.190 54.364 1.00 3.29 C +ATOM 59 CE2 PHE A 8 44.231 -0.639 56.613 1.00 7.73 C +ATOM 60 CZ PHE A 8 43.364 -1.278 55.736 1.00 6.93 C +ATOM 61 N GLU A 9 46.654 3.458 56.106 1.00 15.08 N +ATOM 62 CA GLU A 9 46.245 4.086 57.356 1.00 13.09 C +ATOM 63 C GLU A 9 45.560 5.429 57.107 1.00 14.05 C +ATOM 64 O GLU A 9 44.557 5.747 57.745 1.00 13.23 O +ATOM 65 CB GLU A 9 47.451 4.283 58.273 1.00 17.02 C +ATOM 66 CG GLU A 9 48.093 2.984 58.739 1.00 23.66 C +ATOM 67 CD GLU A 9 49.330 3.212 59.593 1.00 29.14 C +ATOM 68 OE1 GLU A 9 49.303 4.098 60.476 1.00 34.12 O +ATOM 69 OE2 GLU A 9 50.334 2.500 59.384 1.00 35.72 O +ATOM 70 N ARG A 10 46.101 6.207 56.175 1.00 12.01 N +ATOM 71 CA ARG A 10 45.534 7.509 55.844 1.00 14.90 C +ATOM 72 C ARG A 10 44.180 7.372 55.157 1.00 14.13 C +ATOM 73 O ARG A 10 43.270 8.163 55.394 1.00 13.90 O +ATOM 74 CB ARG A 10 46.491 8.295 54.941 1.00 12.64 C +ATOM 75 CG ARG A 10 45.932 9.632 54.461 1.00 15.41 C +ATOM 76 CD ARG A 10 46.959 10.430 53.675 1.00 11.22 C +ATOM 77 NE ARG A 10 47.399 9.750 52.460 1.00 13.26 N +ATOM 78 CZ ARG A 10 46.719 9.724 51.318 1.00 13.33 C +ATOM 79 NH1 ARG A 10 45.548 10.339 51.220 1.00 13.55 N +ATOM 80 NH2 ARG A 10 47.225 9.108 50.259 1.00 13.99 N +ATOM 81 N GLN A 11 44.049 6.357 54.311 1.00 14.68 N +ATOM 82 CA GLN A 11 42.812 6.138 53.575 1.00 13.39 C +ATOM 83 C GLN A 11 41.721 5.362 54.297 1.00 10.96 C +ATOM 84 O GLN A 11 40.542 5.578 54.027 1.00 11.41 O +ATOM 85 CB GLN A 11 43.095 5.431 52.249 1.00 14.49 C +ATOM 86 CG GLN A 11 44.012 6.176 51.302 1.00 15.94 C +ATOM 87 CD GLN A 11 44.014 5.564 49.916 1.00 20.62 C +ATOM 88 OE1 GLN A 11 43.874 6.268 48.919 1.00 27.42 O +ATOM 89 NE2 GLN A 11 44.164 4.249 49.846 1.00 15.75 N +ATOM 90 N HIS A 12 42.091 4.464 55.207 1.00 10.91 N +ATOM 91 CA HIS A 12 41.083 3.638 55.868 1.00 11.28 C +ATOM 92 C HIS A 12 41.009 3.600 57.390 1.00 12.36 C +ATOM 93 O HIS A 12 40.057 3.045 57.936 1.00 11.75 O +ATOM 94 CB HIS A 12 41.173 2.199 55.348 1.00 8.61 C +ATOM 95 CG HIS A 12 41.118 2.091 53.856 1.00 8.88 C +ATOM 96 ND1 HIS A 12 42.235 1.840 53.089 1.00 10.37 N +ATOM 97 CD2 HIS A 12 40.087 2.224 52.988 1.00 7.46 C +ATOM 98 CE1 HIS A 12 41.895 1.826 51.813 1.00 7.38 C +ATOM 99 NE2 HIS A 12 40.599 2.056 51.724 1.00 9.49 N +ATOM 100 N MET A 13 41.973 4.192 58.084 1.00 12.28 N +ATOM 101 CA MET A 13 41.951 4.150 59.541 1.00 10.03 C +ATOM 102 C MET A 13 41.433 5.404 60.223 1.00 10.88 C +ATOM 103 O MET A 13 41.753 6.520 59.824 1.00 12.29 O +ATOM 104 CB MET A 13 43.338 3.811 60.098 1.00 10.84 C +ATOM 105 CG MET A 13 43.863 2.426 59.729 1.00 11.34 C +ATOM 106 SD MET A 13 42.785 1.072 60.232 1.00 18.30 S +ATOM 107 CE MET A 13 42.871 1.208 62.016 1.00 16.38 C +ATOM 108 N ASP A 14 40.604 5.197 61.240 1.00 14.44 N +ATOM 109 CA ASP A 14 40.047 6.277 62.047 1.00 18.78 C +ATOM 110 C ASP A 14 39.906 5.690 63.445 1.00 19.06 C +ATOM 111 O ASP A 14 38.799 5.467 63.942 1.00 17.51 O +ATOM 112 CB ASP A 14 38.687 6.753 61.516 1.00 19.05 C +ATOM 113 CG ASP A 14 38.213 8.047 62.184 1.00 22.97 C +ATOM 114 OD1 ASP A 14 38.999 8.683 62.921 1.00 22.48 O +ATOM 115 OD2 ASP A 14 37.050 8.440 61.965 1.00 23.90 O +ATOM 116 N SER A 15 41.054 5.411 64.052 1.00 22.93 N +ATOM 117 CA SER A 15 41.134 4.826 65.384 1.00 26.68 C +ATOM 118 C SER A 15 40.825 5.827 66.496 1.00 29.59 C +ATOM 119 O SER A 15 40.308 5.453 67.548 1.00 32.43 O +ATOM 120 CB SER A 15 42.536 4.251 65.602 1.00 27.15 C +ATOM 121 OG SER A 15 42.992 3.550 64.457 1.00 29.30 O +ATOM 122 N SER A 16 41.132 7.097 66.252 1.00 32.11 N +ATOM 123 CA SER A 16 40.920 8.152 67.240 1.00 34.58 C +ATOM 124 C SER A 16 39.468 8.441 67.635 1.00 34.87 C +ATOM 125 O SER A 16 39.228 9.045 68.683 1.00 33.92 O +ATOM 126 CB SER A 16 41.589 9.447 66.769 1.00 34.15 C +ATOM 127 OG SER A 16 42.949 9.226 66.431 1.00 37.40 O +ATOM 128 N THR A 17 38.504 8.020 66.821 1.00 34.41 N +ATOM 129 CA THR A 17 37.106 8.289 67.143 1.00 34.20 C +ATOM 130 C THR A 17 36.133 7.184 66.735 1.00 30.30 C +ATOM 131 O THR A 17 36.322 6.508 65.720 1.00 30.47 O +ATOM 132 CB THR A 17 36.650 9.646 66.539 1.00 36.93 C +ATOM 133 OG1 THR A 17 35.334 9.974 67.004 1.00 44.65 O +ATOM 134 CG2 THR A 17 36.650 9.590 65.019 1.00 37.67 C +ATOM 135 N SER A 18 35.095 7.010 67.547 1.00 25.75 N +ATOM 136 CA SER A 18 34.060 6.014 67.307 1.00 26.94 C +ATOM 137 C SER A 18 33.130 6.508 66.206 1.00 25.77 C +ATOM 138 O SER A 18 33.233 7.657 65.767 1.00 26.08 O +ATOM 139 CB SER A 18 33.247 5.790 68.586 1.00 27.05 C +ATOM 140 OG SER A 18 34.067 5.321 69.641 1.00 38.14 O +ATOM 141 N ALA A 19 32.240 5.632 65.748 1.00 23.16 N +ATOM 142 CA ALA A 19 31.282 5.991 64.712 1.00 22.97 C +ATOM 143 C ALA A 19 30.421 7.144 65.232 1.00 23.66 C +ATOM 144 O ALA A 19 29.939 7.106 66.367 1.00 23.47 O +ATOM 145 CB ALA A 19 30.422 4.794 64.363 1.00 22.62 C +ATOM 146 N ALA A 20 30.270 8.180 64.410 1.00 24.74 N +ATOM 147 CA ALA A 20 29.490 9.365 64.770 1.00 23.36 C +ATOM 148 C ALA A 20 27.987 9.106 64.868 1.00 22.66 C +ATOM 149 O ALA A 20 27.233 9.972 65.320 1.00 24.65 O +ATOM 150 CB ALA A 20 29.768 10.495 63.783 1.00 19.27 C +ATOM 151 N SER A 21 27.554 7.930 64.420 1.00 19.87 N +ATOM 152 CA SER A 21 26.145 7.554 64.464 1.00 17.88 C +ATOM 153 C SER A 21 25.984 6.041 64.554 1.00 17.76 C +ATOM 154 O SER A 21 26.936 5.288 64.332 1.00 17.54 O +ATOM 155 CB SER A 21 25.401 8.091 63.238 1.00 16.01 C +ATOM 156 OG SER A 21 26.009 7.667 62.031 1.00 17.23 O +ATOM 157 N SER A 22 24.780 5.604 64.899 1.00 17.53 N +ATOM 158 CA SER A 22 24.484 4.187 65.027 1.00 17.07 C +ATOM 159 C SER A 22 23.730 3.694 63.796 1.00 17.35 C +ATOM 160 O SER A 22 22.957 4.436 63.186 1.00 17.53 O +ATOM 161 CB SER A 22 23.641 3.942 66.281 1.00 16.20 C +ATOM 162 OG SER A 22 23.410 2.558 66.483 1.00 18.94 O +ATOM 163 N SER A 23 23.954 2.436 63.434 1.00 17.63 N +ATOM 164 CA SER A 23 23.276 1.840 62.290 1.00 18.08 C +ATOM 165 C SER A 23 21.856 1.451 62.699 1.00 16.72 C +ATOM 166 O SER A 23 21.039 1.060 61.864 1.00 20.22 O +ATOM 167 CB SER A 23 24.037 0.602 61.826 1.00 16.73 C +ATOM 168 OG SER A 23 24.317 -0.241 62.927 1.00 19.59 O +ATOM 169 N ASN A 24 21.581 1.570 63.993 1.00 14.66 N +ATOM 170 CA ASN A 24 20.282 1.235 64.552 1.00 16.32 C +ATOM 171 C ASN A 24 19.416 2.484 64.769 1.00 15.54 C +ATOM 172 O ASN A 24 18.339 2.403 65.363 1.00 15.33 O +ATOM 173 CB ASN A 24 20.474 0.487 65.873 1.00 17.01 C +ATOM 174 CG ASN A 24 19.326 -0.441 66.184 1.00 25.31 C +ATOM 175 OD1 ASN A 24 19.090 -1.412 65.463 1.00 30.72 O +ATOM 176 ND2 ASN A 24 18.599 -0.151 67.256 1.00 26.18 N +ATOM 177 N TYR A 25 19.880 3.627 64.267 1.00 13.50 N +ATOM 178 CA TYR A 25 19.150 4.886 64.409 1.00 11.96 C +ATOM 179 C TYR A 25 17.730 4.767 63.869 1.00 10.52 C +ATOM 180 O TYR A 25 16.766 5.074 64.568 1.00 12.00 O +ATOM 181 CB TYR A 25 19.890 6.029 63.691 1.00 12.61 C +ATOM 182 CG TYR A 25 19.103 7.329 63.590 1.00 10.94 C +ATOM 183 CD1 TYR A 25 18.185 7.534 62.558 1.00 9.93 C +ATOM 184 CD2 TYR A 25 19.267 8.348 64.530 1.00 10.06 C +ATOM 185 CE1 TYR A 25 17.449 8.713 62.465 1.00 5.68 C +ATOM 186 CE2 TYR A 25 18.536 9.533 64.442 1.00 10.72 C +ATOM 187 CZ TYR A 25 17.627 9.707 63.409 1.00 7.91 C +ATOM 188 OH TYR A 25 16.891 10.866 63.322 1.00 12.61 O +ATOM 189 N CYS A 26 17.606 4.310 62.629 1.00 10.67 N +ATOM 190 CA CYS A 26 16.301 4.167 61.998 1.00 8.34 C +ATOM 191 C CYS A 26 15.367 3.192 62.708 1.00 10.63 C +ATOM 192 O CYS A 26 14.183 3.484 62.871 1.00 11.72 O +ATOM 193 CB CYS A 26 16.462 3.797 60.527 1.00 6.69 C +ATOM 194 SG CYS A 26 16.985 5.198 59.482 1.00 11.35 S +ATOM 195 N ASN A 27 15.891 2.047 63.141 1.00 10.80 N +ATOM 196 CA ASN A 27 15.079 1.053 63.846 1.00 11.61 C +ATOM 197 C ASN A 27 14.479 1.661 65.109 1.00 13.76 C +ATOM 198 O ASN A 27 13.324 1.407 65.451 1.00 13.63 O +ATOM 199 CB ASN A 27 15.918 -0.178 64.216 1.00 13.41 C +ATOM 200 CG ASN A 27 16.303 -1.015 63.008 1.00 13.87 C +ATOM 201 OD1 ASN A 27 15.611 -1.015 61.994 1.00 15.40 O +ATOM 202 ND2 ASN A 27 17.414 -1.736 63.112 1.00 11.77 N +ATOM 203 N GLN A 28 15.276 2.478 65.789 1.00 15.57 N +ATOM 204 CA GLN A 28 14.860 3.147 67.012 1.00 15.63 C +ATOM 205 C GLN A 28 13.846 4.253 66.717 1.00 14.94 C +ATOM 206 O GLN A 28 12.755 4.275 67.290 1.00 12.73 O +ATOM 207 CB GLN A 28 16.084 3.743 67.718 1.00 23.29 C +ATOM 208 CG GLN A 28 15.788 4.463 69.026 1.00 30.96 C +ATOM 209 CD GLN A 28 16.195 3.656 70.243 1.00 37.63 C +ATOM 210 OE1 GLN A 28 17.376 3.581 70.585 1.00 43.54 O +ATOM 211 NE2 GLN A 28 15.220 3.050 70.906 1.00 40.45 N +ATOM 212 N MET A 29 14.208 5.153 65.808 1.00 13.55 N +ATOM 213 CA MET A 29 13.357 6.279 65.440 1.00 13.55 C +ATOM 214 C MET A 29 12.008 5.928 64.817 1.00 12.32 C +ATOM 215 O MET A 29 10.999 6.549 65.140 1.00 15.05 O +ATOM 216 CB MET A 29 14.116 7.246 64.531 1.00 12.34 C +ATOM 217 CG MET A 29 15.258 7.952 65.223 1.00 16.41 C +ATOM 218 SD MET A 29 14.717 8.810 66.705 1.00 20.78 S +ATOM 219 CE MET A 29 13.920 10.241 65.989 1.00 17.40 C +ATOM 220 N MET A 30 11.988 4.957 63.911 1.00 15.15 N +ATOM 221 CA MET A 30 10.740 4.553 63.263 1.00 13.84 C +ATOM 222 C MET A 30 9.757 4.013 64.303 1.00 14.39 C +ATOM 223 O MET A 30 8.545 4.208 64.192 1.00 14.98 O +ATOM 224 CB MET A 30 11.002 3.501 62.182 1.00 12.88 C +ATOM 225 CG MET A 30 11.873 3.980 61.020 1.00 8.45 C +ATOM 226 SD MET A 30 11.167 5.344 60.076 1.00 13.55 S +ATOM 227 CE MET A 30 10.176 4.462 58.883 1.00 12.09 C +ATOM 228 N LYS A 31 10.290 3.339 65.316 1.00 16.71 N +ATOM 229 CA LYS A 31 9.465 2.787 66.380 1.00 20.08 C +ATOM 230 C LYS A 31 8.911 3.855 67.315 1.00 18.59 C +ATOM 231 O LYS A 31 7.699 3.938 67.515 1.00 21.08 O +ATOM 232 CB LYS A 31 10.252 1.768 67.203 1.00 25.26 C +ATOM 233 CG LYS A 31 10.379 0.405 66.560 1.00 33.23 C +ATOM 234 CD LYS A 31 10.765 -0.643 67.595 1.00 39.16 C +ATOM 235 CE LYS A 31 9.756 -0.695 68.742 1.00 37.94 C +ATOM 236 NZ LYS A 31 8.367 -0.967 68.274 1.00 39.04 N +ATOM 237 N SER A 32 9.798 4.667 67.887 1.00 15.94 N +ATOM 238 CA SER A 32 9.393 5.716 68.820 1.00 17.38 C +ATOM 239 C SER A 32 8.415 6.706 68.204 1.00 15.04 C +ATOM 240 O SER A 32 7.484 7.164 68.867 1.00 20.51 O +ATOM 241 CB SER A 32 10.618 6.454 69.373 1.00 15.41 C +ATOM 242 OG SER A 32 11.447 6.933 68.329 1.00 21.00 O +ATOM 243 N ARG A 33 8.615 7.016 66.928 1.00 14.21 N +ATOM 244 CA ARG A 33 7.744 7.948 66.226 1.00 13.34 C +ATOM 245 C ARG A 33 6.456 7.283 65.748 1.00 16.08 C +ATOM 246 O ARG A 33 5.699 7.868 64.975 1.00 18.72 O +ATOM 247 CB ARG A 33 8.486 8.589 65.052 1.00 14.13 C +ATOM 248 CG ARG A 33 9.714 9.387 65.463 1.00 12.38 C +ATOM 249 CD ARG A 33 9.358 10.460 66.480 1.00 14.83 C +ATOM 250 NE ARG A 33 10.533 11.203 66.927 1.00 17.78 N +ATOM 251 CZ ARG A 33 10.945 12.353 66.402 1.00 13.84 C +ATOM 252 NH1 ARG A 33 10.278 12.911 65.402 1.00 13.23 N +ATOM 253 NH2 ARG A 33 12.038 12.939 66.868 1.00 16.42 N +ATOM 254 N ASN A 34 6.215 6.058 66.212 1.00 18.84 N +ATOM 255 CA ASN A 34 5.022 5.289 65.860 1.00 20.42 C +ATOM 256 C ASN A 34 4.813 5.140 64.354 1.00 21.68 C +ATOM 257 O ASN A 34 3.678 5.075 63.875 1.00 23.22 O +ATOM 258 CB ASN A 34 3.773 5.904 66.506 1.00 24.31 C +ATOM 259 CG ASN A 34 3.800 5.842 68.027 1.00 28.12 C +ATOM 260 OD1 ASN A 34 3.411 6.796 68.702 1.00 33.12 O +ATOM 261 ND2 ASN A 34 4.243 4.716 68.572 1.00 30.61 N +ATOM 262 N LEU A 35 5.911 5.036 63.615 1.00 18.44 N +ATOM 263 CA LEU A 35 5.841 4.898 62.165 1.00 20.18 C +ATOM 264 C LEU A 35 5.709 3.444 61.713 1.00 22.79 C +ATOM 265 O LEU A 35 5.457 3.174 60.537 1.00 26.20 O +ATOM 266 CB LEU A 35 7.064 5.555 61.516 1.00 17.96 C +ATOM 267 CG LEU A 35 7.276 7.025 61.895 1.00 17.18 C +ATOM 268 CD1 LEU A 35 8.471 7.604 61.168 1.00 13.61 C +ATOM 269 CD2 LEU A 35 6.025 7.818 61.574 1.00 19.53 C +ATOM 270 N THR A 36 5.880 2.516 62.652 1.00 23.72 N +ATOM 271 CA THR A 36 5.782 1.086 62.366 1.00 23.33 C +ATOM 272 C THR A 36 4.600 0.431 63.084 1.00 25.06 C +ATOM 273 O THR A 36 4.474 -0.796 63.097 1.00 23.59 O +ATOM 274 CB THR A 36 7.069 0.350 62.792 1.00 20.34 C +ATOM 275 OG1 THR A 36 7.331 0.608 64.177 1.00 21.57 O +ATOM 276 CG2 THR A 36 8.250 0.819 61.967 1.00 19.48 C +ATOM 277 N LYS A 37 3.724 1.255 63.652 1.00 27.96 N +ATOM 278 CA LYS A 37 2.571 0.762 64.401 1.00 29.70 C +ATOM 279 C LYS A 37 1.529 0.042 63.549 1.00 28.46 C +ATOM 280 O LYS A 37 1.173 -1.102 63.832 1.00 28.41 O +ATOM 281 CB LYS A 37 1.916 1.906 65.181 1.00 33.53 C +ATOM 282 CG LYS A 37 1.108 1.450 66.392 1.00 39.98 C +ATOM 283 CD LYS A 37 1.986 0.675 67.374 1.00 44.15 C +ATOM 284 CE LYS A 37 3.085 1.554 67.967 1.00 46.32 C +ATOM 285 NZ LYS A 37 4.123 0.754 68.680 1.00 44.84 N +ATOM 286 N ASP A 38 1.032 0.718 62.519 1.00 27.62 N +ATOM 287 CA ASP A 38 0.026 0.135 61.639 1.00 26.80 C +ATOM 288 C ASP A 38 0.640 -0.740 60.553 1.00 25.01 C +ATOM 289 O ASP A 38 -0.020 -1.631 60.018 1.00 24.30 O +ATOM 290 CB ASP A 38 -0.818 1.238 60.989 1.00 31.26 C +ATOM 291 CG ASP A 38 -1.599 2.059 62.003 1.00 36.93 C +ATOM 292 OD1 ASP A 38 -1.688 1.655 63.186 1.00 37.07 O +ATOM 293 OD2 ASP A 38 -2.134 3.116 61.606 1.00 40.09 O +ATOM 294 N ARG A 39 1.897 -0.466 60.219 1.00 23.11 N +ATOM 295 CA ARG A 39 2.618 -1.209 59.190 1.00 18.24 C +ATOM 296 C ARG A 39 4.061 -0.723 59.178 1.00 14.19 C +ATOM 297 O ARG A 39 4.389 0.268 59.831 1.00 14.85 O +ATOM 298 CB ARG A 39 2.006 -0.928 57.815 1.00 20.42 C +ATOM 299 CG ARG A 39 2.117 0.531 57.403 1.00 24.20 C +ATOM 300 CD ARG A 39 2.076 0.691 55.901 1.00 29.43 C +ATOM 301 NE ARG A 39 2.483 2.033 55.491 1.00 31.65 N +ATOM 302 CZ ARG A 39 2.880 2.348 54.263 1.00 31.04 C +ATOM 303 NH1 ARG A 39 2.927 1.419 53.317 1.00 31.54 N +ATOM 304 NH2 ARG A 39 3.213 3.600 53.976 1.00 34.32 N +ATOM 305 N CYS A 40 4.922 -1.417 58.441 1.00 13.51 N +ATOM 306 CA CYS A 40 6.312 -1.002 58.333 1.00 15.86 C +ATOM 307 C CYS A 40 6.381 0.003 57.195 1.00 16.25 C +ATOM 308 O CYS A 40 6.254 -0.379 56.031 1.00 18.83 O +ATOM 309 CB CYS A 40 7.226 -2.176 57.980 1.00 15.29 C +ATOM 310 SG CYS A 40 7.281 -3.566 59.149 1.00 14.49 S +ATOM 311 N LYS A 41 6.527 1.284 57.518 1.00 16.53 N +ATOM 312 CA LYS A 41 6.626 2.309 56.484 1.00 17.23 C +ATOM 313 C LYS A 41 7.887 1.984 55.675 1.00 19.49 C +ATOM 314 O LYS A 41 8.981 1.899 56.234 1.00 20.99 O +ATOM 315 CB LYS A 41 6.724 3.697 57.121 1.00 19.76 C +ATOM 316 CG LYS A 41 6.529 4.843 56.141 1.00 19.62 C +ATOM 317 CD LYS A 41 6.470 6.175 56.854 1.00 17.29 C +ATOM 318 CE LYS A 41 6.225 7.300 55.863 1.00 19.09 C +ATOM 319 NZ LYS A 41 6.138 8.624 56.531 1.00 25.95 N +ATOM 320 N PRO A 42 7.742 1.775 54.355 1.00 18.34 N +ATOM 321 CA PRO A 42 8.843 1.444 53.444 1.00 16.14 C +ATOM 322 C PRO A 42 10.054 2.370 53.506 1.00 17.22 C +ATOM 323 O PRO A 42 11.195 1.903 53.526 1.00 13.41 O +ATOM 324 CB PRO A 42 8.172 1.495 52.071 1.00 13.48 C +ATOM 325 CG PRO A 42 6.778 1.082 52.371 1.00 15.10 C +ATOM 326 CD PRO A 42 6.476 1.880 53.610 1.00 16.13 C +ATOM 327 N VAL A 43 9.807 3.677 53.526 1.00 17.64 N +ATOM 328 CA VAL A 43 10.885 4.659 53.567 1.00 16.81 C +ATOM 329 C VAL A 43 10.426 5.930 54.271 1.00 14.95 C +ATOM 330 O VAL A 43 9.260 6.314 54.174 1.00 13.77 O +ATOM 331 CB VAL A 43 11.378 5.006 52.133 1.00 20.90 C +ATOM 332 CG1 VAL A 43 10.265 5.664 51.327 1.00 23.85 C +ATOM 333 CG2 VAL A 43 12.611 5.901 52.189 1.00 24.01 C +ATOM 334 N ASN A 44 11.341 6.560 55.001 1.00 13.32 N +ATOM 335 CA ASN A 44 11.045 7.793 55.721 1.00 13.33 C +ATOM 336 C ASN A 44 12.332 8.578 55.934 1.00 13.58 C +ATOM 337 O ASN A 44 13.383 7.997 56.204 1.00 15.54 O +ATOM 338 CB ASN A 44 10.403 7.483 57.073 1.00 12.98 C +ATOM 339 CG ASN A 44 9.960 8.731 57.805 1.00 11.49 C +ATOM 340 OD1 ASN A 44 8.972 9.363 57.437 1.00 13.34 O +ATOM 341 ND2 ASN A 44 10.699 9.100 58.836 1.00 8.74 N +ATOM 342 N THR A 45 12.246 9.896 55.812 1.00 13.08 N +ATOM 343 CA THR A 45 13.409 10.755 55.977 1.00 12.88 C +ATOM 344 C THR A 45 13.256 11.663 57.190 1.00 11.31 C +ATOM 345 O THR A 45 12.165 12.170 57.459 1.00 11.27 O +ATOM 346 CB THR A 45 13.604 11.635 54.728 1.00 13.79 C +ATOM 347 OG1 THR A 45 13.536 10.815 53.553 1.00 16.02 O +ATOM 348 CG2 THR A 45 14.950 12.349 54.777 1.00 11.78 C +ATOM 349 N PHE A 46 14.347 11.837 57.930 1.00 10.70 N +ATOM 350 CA PHE A 46 14.369 12.702 59.105 1.00 8.93 C +ATOM 351 C PHE A 46 15.329 13.857 58.827 1.00 9.60 C +ATOM 352 O PHE A 46 16.456 13.638 58.378 1.00 10.83 O +ATOM 353 CB PHE A 46 14.842 11.933 60.346 1.00 8.43 C +ATOM 354 CG PHE A 46 13.857 10.914 60.852 1.00 10.79 C +ATOM 355 CD1 PHE A 46 12.777 11.304 61.641 1.00 6.16 C +ATOM 356 CD2 PHE A 46 14.027 9.560 60.571 1.00 6.33 C +ATOM 357 CE1 PHE A 46 11.883 10.361 62.146 1.00 8.68 C +ATOM 358 CE2 PHE A 46 13.139 8.611 61.070 1.00 9.19 C +ATOM 359 CZ PHE A 46 12.063 9.011 61.861 1.00 5.95 C +ATOM 360 N VAL A 47 14.868 15.081 59.060 1.00 11.21 N +ATOM 361 CA VAL A 47 15.676 16.281 58.852 1.00 8.48 C +ATOM 362 C VAL A 47 16.274 16.650 60.208 1.00 10.93 C +ATOM 363 O VAL A 47 15.606 16.542 61.240 1.00 11.13 O +ATOM 364 CB VAL A 47 14.817 17.463 58.326 1.00 5.71 C +ATOM 365 CG1 VAL A 47 15.706 18.628 57.920 1.00 4.71 C +ATOM 366 CG2 VAL A 47 13.964 17.012 57.149 1.00 7.01 C +ATOM 367 N HIS A 48 17.539 17.055 60.210 1.00 12.77 N +ATOM 368 CA HIS A 48 18.221 17.413 61.449 1.00 12.62 C +ATOM 369 C HIS A 48 18.481 18.905 61.599 1.00 13.11 C +ATOM 370 O HIS A 48 19.413 19.315 62.291 1.00 18.23 O +ATOM 371 CB HIS A 48 19.526 16.627 61.565 1.00 12.79 C +ATOM 372 CG HIS A 48 19.334 15.144 61.513 1.00 11.33 C +ATOM 373 ND1 HIS A 48 18.316 14.505 62.187 1.00 11.38 N +ATOM 374 CD2 HIS A 48 20.006 14.178 60.844 1.00 9.27 C +ATOM 375 CE1 HIS A 48 18.366 13.210 61.934 1.00 10.04 C +ATOM 376 NE2 HIS A 48 19.382 12.986 61.123 1.00 8.58 N +ATOM 377 N GLU A 49 17.634 19.710 60.972 1.00 12.77 N +ATOM 378 CA GLU A 49 17.756 21.162 61.031 1.00 13.57 C +ATOM 379 C GLU A 49 16.704 21.690 61.993 1.00 14.46 C +ATOM 380 O GLU A 49 15.866 20.926 62.480 1.00 14.13 O +ATOM 381 CB GLU A 49 17.539 21.771 59.643 1.00 12.32 C +ATOM 382 CG GLU A 49 18.536 21.300 58.583 1.00 13.58 C +ATOM 383 CD GLU A 49 19.973 21.702 58.877 1.00 14.80 C +ATOM 384 OE1 GLU A 49 20.188 22.704 59.591 1.00 17.79 O +ATOM 385 OE2 GLU A 49 20.892 21.014 58.385 1.00 15.25 O +ATOM 386 N SER A 50 16.750 22.986 62.286 1.00 14.48 N +ATOM 387 CA SER A 50 15.772 23.580 63.191 1.00 17.39 C +ATOM 388 C SER A 50 14.421 23.631 62.486 1.00 15.52 C +ATOM 389 O SER A 50 14.361 23.758 61.257 1.00 15.67 O +ATOM 390 CB SER A 50 16.204 24.990 63.610 1.00 16.73 C +ATOM 391 OG SER A 50 16.278 25.862 62.496 1.00 19.63 O +ATOM 392 N LEU A 51 13.344 23.527 63.259 1.00 13.59 N +ATOM 393 CA LEU A 51 11.998 23.562 62.698 1.00 13.63 C +ATOM 394 C LEU A 51 11.754 24.828 61.875 1.00 13.58 C +ATOM 395 O LEU A 51 11.128 24.773 60.815 1.00 15.50 O +ATOM 396 CB LEU A 51 10.956 23.443 63.815 1.00 15.40 C +ATOM 397 CG LEU A 51 9.478 23.423 63.409 1.00 17.37 C +ATOM 398 CD1 LEU A 51 9.199 22.237 62.494 1.00 17.56 C +ATOM 399 CD2 LEU A 51 8.602 23.363 64.653 1.00 19.48 C +ATOM 400 N ALA A 52 12.282 25.954 62.348 1.00 13.26 N +ATOM 401 CA ALA A 52 12.127 27.233 61.660 1.00 13.40 C +ATOM 402 C ALA A 52 12.700 27.195 60.243 1.00 14.53 C +ATOM 403 O ALA A 52 12.060 27.653 59.293 1.00 15.98 O +ATOM 404 CB ALA A 52 12.787 28.345 62.465 1.00 15.68 C +ATOM 405 N ASP A 53 13.898 26.636 60.101 1.00 15.26 N +ATOM 406 CA ASP A 53 14.544 26.540 58.796 1.00 14.55 C +ATOM 407 C ASP A 53 13.742 25.687 57.821 1.00 14.81 C +ATOM 408 O ASP A 53 13.657 26.009 56.632 1.00 14.70 O +ATOM 409 CB ASP A 53 15.959 25.975 58.931 1.00 17.56 C +ATOM 410 CG ASP A 53 16.925 26.952 59.583 1.00 20.71 C +ATOM 411 OD1 ASP A 53 16.597 28.155 59.698 1.00 21.94 O +ATOM 412 OD2 ASP A 53 18.021 26.507 59.979 1.00 26.07 O +ATOM 413 N VAL A 54 13.172 24.596 58.326 1.00 12.75 N +ATOM 414 CA VAL A 54 12.368 23.689 57.511 1.00 12.34 C +ATOM 415 C VAL A 54 11.050 24.347 57.098 1.00 13.16 C +ATOM 416 O VAL A 54 10.620 24.227 55.952 1.00 13.54 O +ATOM 417 CB VAL A 54 12.083 22.369 58.257 1.00 13.31 C +ATOM 418 CG1 VAL A 54 11.209 21.453 57.408 1.00 18.12 C +ATOM 419 CG2 VAL A 54 13.392 21.675 58.603 1.00 12.34 C +ATOM 420 N GLN A 55 10.416 25.053 58.026 1.00 14.51 N +ATOM 421 CA GLN A 55 9.159 25.734 57.734 1.00 17.79 C +ATOM 422 C GLN A 55 9.354 26.837 56.692 1.00 15.95 C +ATOM 423 O GLN A 55 8.476 27.083 55.859 1.00 15.11 O +ATOM 424 CB GLN A 55 8.561 26.314 59.013 1.00 18.36 C +ATOM 425 CG GLN A 55 8.103 25.258 59.996 1.00 23.48 C +ATOM 426 CD GLN A 55 7.543 25.851 61.267 1.00 27.26 C +ATOM 427 OE1 GLN A 55 7.844 26.990 61.622 1.00 30.78 O +ATOM 428 NE2 GLN A 55 6.725 25.077 61.967 1.00 30.79 N +ATOM 429 N ALA A 56 10.521 27.475 56.730 1.00 13.10 N +ATOM 430 CA ALA A 56 10.859 28.542 55.794 1.00 12.28 C +ATOM 431 C ALA A 56 10.857 28.059 54.342 1.00 15.74 C +ATOM 432 O ALA A 56 10.571 28.832 53.427 1.00 14.31 O +ATOM 433 CB ALA A 56 12.218 29.138 56.147 1.00 9.82 C +ATOM 434 N VAL A 57 11.146 26.776 54.138 1.00 17.10 N +ATOM 435 CA VAL A 57 11.179 26.194 52.796 1.00 17.15 C +ATOM 436 C VAL A 57 9.863 26.421 52.044 1.00 18.15 C +ATOM 437 O VAL A 57 9.858 26.551 50.820 1.00 22.14 O +ATOM 438 CB VAL A 57 11.525 24.677 52.839 1.00 14.38 C +ATOM 439 CG1 VAL A 57 11.494 24.076 51.441 1.00 9.30 C +ATOM 440 CG2 VAL A 57 12.901 24.475 53.457 1.00 11.20 C +ATOM 441 N CYS A 58 8.763 26.542 52.782 1.00 19.02 N +ATOM 442 CA CYS A 58 7.454 26.772 52.176 1.00 18.58 C +ATOM 443 C CYS A 58 7.375 28.107 51.431 1.00 17.94 C +ATOM 444 O CYS A 58 6.407 28.369 50.717 1.00 16.30 O +ATOM 445 CB CYS A 58 6.353 26.702 53.236 1.00 17.29 C +ATOM 446 SG CYS A 58 6.066 25.037 53.916 1.00 19.09 S +ATOM 447 N SER A 59 8.394 28.945 51.603 1.00 16.23 N +ATOM 448 CA SER A 59 8.450 30.245 50.949 1.00 18.85 C +ATOM 449 C SER A 59 9.712 30.381 50.096 1.00 19.34 C +ATOM 450 O SER A 59 10.238 31.482 49.917 1.00 20.56 O +ATOM 451 CB SER A 59 8.414 31.356 52.001 1.00 15.92 C +ATOM 452 OG SER A 59 7.232 31.285 52.779 1.00 23.98 O +ATOM 453 N GLN A 60 10.188 29.262 49.564 1.00 19.68 N +ATOM 454 CA GLN A 60 11.388 29.254 48.741 1.00 21.13 C +ATOM 455 C GLN A 60 11.102 28.750 47.320 1.00 23.44 C +ATOM 456 O GLN A 60 10.015 28.992 46.789 1.00 25.68 O +ATOM 457 CB GLN A 60 12.488 28.453 49.448 1.00 18.04 C +ATOM 458 CG GLN A 60 12.881 29.092 50.782 1.00 18.00 C +ATOM 459 CD GLN A 60 13.928 28.320 51.565 1.00 19.41 C +ATOM 460 OE1 GLN A 60 14.492 27.333 51.088 1.00 19.35 O +ATOM 461 NE2 GLN A 60 14.193 28.773 52.782 1.00 16.63 N +ATOM 462 N LYS A 61 12.059 28.059 46.704 1.00 23.26 N +ATOM 463 CA LYS A 61 11.889 27.559 45.342 1.00 26.49 C +ATOM 464 C LYS A 61 10.672 26.669 45.126 1.00 27.01 C +ATOM 465 O LYS A 61 10.669 25.500 45.515 1.00 24.83 O +ATOM 466 CB LYS A 61 13.146 26.819 44.879 1.00 33.16 C +ATOM 467 CG LYS A 61 14.187 27.704 44.207 1.00 44.52 C +ATOM 468 CD LYS A 61 13.716 28.240 42.851 1.00 49.22 C +ATOM 469 CE LYS A 61 13.662 27.154 41.774 1.00 51.17 C +ATOM 470 NZ LYS A 61 12.540 26.187 41.953 1.00 56.20 N +ATOM 471 N ASN A 62 9.645 27.217 44.484 1.00 26.12 N +ATOM 472 CA ASN A 62 8.436 26.454 44.201 1.00 26.47 C +ATOM 473 C ASN A 62 8.741 25.439 43.110 1.00 26.40 C +ATOM 474 O ASN A 62 9.122 25.803 41.995 1.00 24.64 O +ATOM 475 CB ASN A 62 7.294 27.370 43.755 1.00 24.78 C +ATOM 476 CG ASN A 62 6.044 26.598 43.367 1.00 23.81 C +ATOM 477 OD1 ASN A 62 5.628 26.612 42.207 1.00 26.55 O +ATOM 478 ND2 ASN A 62 5.446 25.915 44.332 1.00 20.61 N +ATOM 479 N VAL A 63 8.593 24.165 43.446 1.00 28.25 N +ATOM 480 CA VAL A 63 8.861 23.092 42.506 1.00 28.16 C +ATOM 481 C VAL A 63 7.641 22.178 42.447 1.00 29.23 C +ATOM 482 O VAL A 63 6.810 22.179 43.357 1.00 31.81 O +ATOM 483 CB VAL A 63 10.127 22.292 42.922 1.00 26.84 C +ATOM 484 CG1 VAL A 63 9.885 21.531 44.215 1.00 28.43 C +ATOM 485 CG2 VAL A 63 10.557 21.354 41.815 1.00 34.64 C +ATOM 486 N ALA A 64 7.513 21.435 41.354 1.00 29.95 N +ATOM 487 CA ALA A 64 6.395 20.520 41.183 1.00 27.53 C +ATOM 488 C ALA A 64 6.631 19.250 41.989 1.00 27.66 C +ATOM 489 O ALA A 64 7.756 18.747 42.062 1.00 27.95 O +ATOM 490 CB ALA A 64 6.207 20.185 39.713 1.00 27.75 C +ATOM 491 N CYS A 65 5.571 18.760 42.621 1.00 26.82 N +ATOM 492 CA CYS A 65 5.634 17.545 43.415 1.00 26.55 C +ATOM 493 C CYS A 65 5.707 16.353 42.475 1.00 29.28 C +ATOM 494 O CYS A 65 5.268 16.429 41.326 1.00 31.42 O +ATOM 495 CB CYS A 65 4.384 17.415 44.276 1.00 21.00 C +ATOM 496 SG CYS A 65 3.964 18.892 45.246 1.00 21.70 S +ATOM 497 N LYS A 66 6.227 15.239 42.974 1.00 33.26 N +ATOM 498 CA LYS A 66 6.342 14.030 42.169 1.00 37.07 C +ATOM 499 C LYS A 66 4.974 13.531 41.700 1.00 36.94 C +ATOM 500 O LYS A 66 4.885 12.782 40.729 1.00 38.42 O +ATOM 501 CB LYS A 66 7.072 12.932 42.951 1.00 40.59 C +ATOM 502 CG LYS A 66 8.516 13.281 43.305 1.00 45.55 C +ATOM 503 CD LYS A 66 9.253 12.106 43.933 1.00 47.91 C +ATOM 504 CE LYS A 66 8.613 11.674 45.242 1.00 52.63 C +ATOM 505 NZ LYS A 66 9.380 10.571 45.885 1.00 55.26 N +ATOM 506 N ASN A 67 3.913 13.979 42.369 1.00 35.49 N +ATOM 507 CA ASN A 67 2.554 13.574 42.019 1.00 35.15 C +ATOM 508 C ASN A 67 1.828 14.581 41.126 1.00 35.88 C +ATOM 509 O ASN A 67 0.605 14.524 40.990 1.00 37.59 O +ATOM 510 CB ASN A 67 1.727 13.320 43.285 1.00 36.77 C +ATOM 511 CG ASN A 67 1.401 14.597 44.037 1.00 35.80 C +ATOM 512 OD1 ASN A 67 2.127 15.585 43.949 1.00 35.92 O +ATOM 513 ND2 ASN A 67 0.299 14.585 44.774 1.00 35.55 N +ATOM 514 N GLY A 68 2.570 15.529 40.561 1.00 36.87 N +ATOM 515 CA GLY A 68 1.968 16.515 39.680 1.00 36.93 C +ATOM 516 C GLY A 68 1.443 17.780 40.334 1.00 37.02 C +ATOM 517 O GLY A 68 1.110 18.742 39.640 1.00 36.80 O +ATOM 518 N GLN A 69 1.337 17.784 41.658 1.00 38.43 N +ATOM 519 CA GLN A 69 0.853 18.964 42.364 1.00 38.86 C +ATOM 520 C GLN A 69 1.902 20.065 42.351 1.00 36.88 C +ATOM 521 O GLN A 69 3.074 19.808 42.087 1.00 38.02 O +ATOM 522 CB GLN A 69 0.453 18.615 43.800 1.00 45.30 C +ATOM 523 CG GLN A 69 -0.929 17.994 43.906 1.00 51.50 C +ATOM 524 CD GLN A 69 -1.991 18.849 43.235 1.00 59.05 C +ATOM 525 OE1 GLN A 69 -2.024 20.070 43.409 1.00 62.07 O +ATOM 526 NE2 GLN A 69 -2.847 18.218 42.441 1.00 62.48 N +ATOM 527 N THR A 70 1.483 21.291 42.636 1.00 36.22 N +ATOM 528 CA THR A 70 2.406 22.418 42.632 1.00 34.60 C +ATOM 529 C THR A 70 2.604 23.066 43.998 1.00 32.05 C +ATOM 530 O THR A 70 3.118 24.182 44.089 1.00 32.96 O +ATOM 531 CB THR A 70 1.958 23.496 41.624 1.00 36.98 C +ATOM 532 OG1 THR A 70 0.566 23.783 41.808 1.00 37.37 O +ATOM 533 CG2 THR A 70 2.196 23.024 40.200 1.00 40.04 C +ATOM 534 N ASN A 71 2.208 22.368 45.059 1.00 26.17 N +ATOM 535 CA ASN A 71 2.357 22.904 46.410 1.00 24.89 C +ATOM 536 C ASN A 71 3.644 22.423 47.089 1.00 22.54 C +ATOM 537 O ASN A 71 3.701 22.291 48.316 1.00 18.92 O +ATOM 538 CB ASN A 71 1.129 22.574 47.271 1.00 22.21 C +ATOM 539 CG ASN A 71 0.960 21.085 47.509 1.00 22.84 C +ATOM 540 OD1 ASN A 71 0.992 20.287 46.572 1.00 23.14 O +ATOM 541 ND2 ASN A 71 0.768 20.704 48.764 1.00 22.24 N +ATOM 542 N CYS A 72 4.679 22.182 46.288 1.00 21.34 N +ATOM 543 CA CYS A 72 5.964 21.731 46.809 1.00 22.46 C +ATOM 544 C CYS A 72 7.025 22.812 46.665 1.00 20.79 C +ATOM 545 O CYS A 72 6.932 23.677 45.789 1.00 18.21 O +ATOM 546 CB CYS A 72 6.417 20.439 46.122 1.00 19.89 C +ATOM 547 SG CYS A 72 5.448 18.984 46.626 1.00 20.44 S +ATOM 548 N TYR A 73 8.003 22.788 47.564 1.00 21.00 N +ATOM 549 CA TYR A 73 9.083 23.766 47.563 1.00 19.47 C +ATOM 550 C TYR A 73 10.403 23.086 47.897 1.00 16.46 C +ATOM 551 O TYR A 73 10.445 22.149 48.700 1.00 15.96 O +ATOM 552 CB TYR A 73 8.795 24.880 48.576 1.00 20.15 C +ATOM 553 CG TYR A 73 7.483 25.592 48.336 1.00 25.11 C +ATOM 554 CD1 TYR A 73 6.282 25.048 48.793 1.00 23.06 C +ATOM 555 CD2 TYR A 73 7.434 26.785 47.613 1.00 24.98 C +ATOM 556 CE1 TYR A 73 5.069 25.665 48.531 1.00 22.49 C +ATOM 557 CE2 TYR A 73 6.220 27.414 47.347 1.00 24.16 C +ATOM 558 CZ TYR A 73 5.042 26.844 47.808 1.00 24.36 C +ATOM 559 OH TYR A 73 3.830 27.438 47.545 1.00 29.56 O +ATOM 560 N GLN A 74 11.468 23.552 47.260 1.00 14.25 N +ATOM 561 CA GLN A 74 12.802 23.011 47.454 1.00 14.13 C +ATOM 562 C GLN A 74 13.621 24.008 48.265 1.00 14.10 C +ATOM 563 O GLN A 74 13.554 25.218 48.030 1.00 11.01 O +ATOM 564 CB GLN A 74 13.454 22.765 46.090 1.00 14.63 C +ATOM 565 CG GLN A 74 14.837 22.140 46.142 1.00 17.15 C +ATOM 566 CD GLN A 74 15.374 21.814 44.762 1.00 20.25 C +ATOM 567 OE1 GLN A 74 16.375 22.377 44.323 1.00 26.61 O +ATOM 568 NE2 GLN A 74 14.718 20.888 44.074 1.00 25.15 N +ATOM 569 N SER A 75 14.383 23.499 49.225 1.00 13.41 N +ATOM 570 CA SER A 75 15.209 24.348 50.070 1.00 14.55 C +ATOM 571 C SER A 75 16.394 24.931 49.300 1.00 16.35 C +ATOM 572 O SER A 75 17.002 24.255 48.461 1.00 13.48 O +ATOM 573 CB SER A 75 15.709 23.557 51.284 1.00 12.21 C +ATOM 574 OG SER A 75 16.566 22.494 50.902 1.00 10.42 O +ATOM 575 N TYR A 76 16.718 26.186 49.594 1.00 16.06 N +ATOM 576 CA TYR A 76 17.835 26.864 48.952 1.00 17.49 C +ATOM 577 C TYR A 76 19.145 26.202 49.357 1.00 18.64 C +ATOM 578 O TYR A 76 19.995 25.910 48.513 1.00 23.62 O +ATOM 579 CB TYR A 76 17.863 28.345 49.347 1.00 16.93 C +ATOM 580 CG TYR A 76 16.740 29.170 48.761 1.00 15.16 C +ATOM 581 CD1 TYR A 76 16.170 28.833 47.534 1.00 14.04 C +ATOM 582 CD2 TYR A 76 16.254 30.294 49.429 1.00 14.19 C +ATOM 583 CE1 TYR A 76 15.147 29.592 46.987 1.00 15.35 C +ATOM 584 CE2 TYR A 76 15.229 31.061 48.890 1.00 14.57 C +ATOM 585 CZ TYR A 76 14.682 30.702 47.668 1.00 14.36 C +ATOM 586 OH TYR A 76 13.671 31.448 47.119 1.00 17.98 O +ATOM 587 N SER A 77 19.293 25.952 50.653 1.00 19.57 N +ATOM 588 CA SER A 77 20.496 25.328 51.187 1.00 18.19 C +ATOM 589 C SER A 77 20.304 23.827 51.354 1.00 15.67 C +ATOM 590 O SER A 77 19.183 23.321 51.259 1.00 14.86 O +ATOM 591 CB SER A 77 20.829 25.942 52.548 1.00 22.33 C +ATOM 592 OG SER A 77 20.810 27.360 52.484 1.00 33.03 O +ATOM 593 N THR A 78 21.407 23.110 51.539 1.00 13.69 N +ATOM 594 CA THR A 78 21.350 21.672 51.763 1.00 13.60 C +ATOM 595 C THR A 78 21.130 21.481 53.256 1.00 14.46 C +ATOM 596 O THR A 78 21.565 22.307 54.064 1.00 12.28 O +ATOM 597 CB THR A 78 22.657 20.969 51.357 1.00 11.62 C +ATOM 598 OG1 THR A 78 23.769 21.618 51.985 1.00 16.51 O +ATOM 599 CG2 THR A 78 22.834 21.010 49.855 1.00 18.63 C +ATOM 600 N MET A 79 20.467 20.391 53.620 1.00 15.01 N +ATOM 601 CA MET A 79 20.181 20.100 55.013 1.00 12.41 C +ATOM 602 C MET A 79 20.652 18.694 55.371 1.00 8.50 C +ATOM 603 O MET A 79 20.743 17.823 54.505 1.00 8.42 O +ATOM 604 CB MET A 79 18.676 20.242 55.272 1.00 15.97 C +ATOM 605 CG MET A 79 18.113 21.615 54.901 1.00 14.36 C +ATOM 606 SD MET A 79 16.430 21.904 55.460 1.00 17.00 S +ATOM 607 CE MET A 79 16.432 23.695 55.600 1.00 16.56 C +ATOM 608 N SER A 80 21.002 18.497 56.636 1.00 9.04 N +ATOM 609 CA SER A 80 21.458 17.202 57.115 1.00 11.29 C +ATOM 610 C SER A 80 20.236 16.317 57.282 1.00 9.82 C +ATOM 611 O SER A 80 19.315 16.660 58.029 1.00 11.49 O +ATOM 612 CB SER A 80 22.170 17.359 58.462 1.00 12.40 C +ATOM 613 OG SER A 80 23.222 18.302 58.374 1.00 20.46 O +ATOM 614 N ILE A 81 20.218 15.189 56.581 1.00 10.70 N +ATOM 615 CA ILE A 81 19.094 14.262 56.654 1.00 10.22 C +ATOM 616 C ILE A 81 19.538 12.819 56.878 1.00 7.61 C +ATOM 617 O ILE A 81 20.727 12.498 56.808 1.00 4.89 O +ATOM 618 CB ILE A 81 18.227 14.303 55.365 1.00 8.21 C +ATOM 619 CG1 ILE A 81 19.079 13.953 54.142 1.00 13.51 C +ATOM 620 CG2 ILE A 81 17.560 15.662 55.206 1.00 9.06 C +ATOM 621 CD1 ILE A 81 18.276 13.681 52.890 1.00 17.06 C +ATOM 622 N THR A 82 18.563 11.971 57.182 1.00 9.71 N +ATOM 623 CA THR A 82 18.777 10.551 57.402 1.00 8.38 C +ATOM 624 C THR A 82 17.650 9.816 56.687 1.00 10.49 C +ATOM 625 O THR A 82 16.470 10.085 56.937 1.00 9.62 O +ATOM 626 CB THR A 82 18.733 10.188 58.908 1.00 10.57 C +ATOM 627 OG1 THR A 82 19.812 10.837 59.591 1.00 12.57 O +ATOM 628 CG2 THR A 82 18.848 8.680 59.110 1.00 7.53 C +ATOM 629 N ASP A 83 18.019 8.961 55.740 1.00 10.97 N +ATOM 630 CA ASP A 83 17.051 8.169 54.996 1.00 14.49 C +ATOM 631 C ASP A 83 16.915 6.798 55.641 1.00 12.41 C +ATOM 632 O ASP A 83 17.913 6.114 55.884 1.00 10.90 O +ATOM 633 CB ASP A 83 17.488 8.006 53.538 1.00 16.20 C +ATOM 634 CG ASP A 83 17.388 9.295 52.749 1.00 24.47 C +ATOM 635 OD1 ASP A 83 16.335 9.964 52.829 1.00 28.71 O +ATOM 636 OD2 ASP A 83 18.360 9.637 52.044 1.00 30.22 O +ATOM 637 N CYS A 84 15.683 6.428 55.965 1.00 13.66 N +ATOM 638 CA CYS A 84 15.402 5.136 56.567 1.00 15.46 C +ATOM 639 C CYS A 84 14.727 4.298 55.501 1.00 15.81 C +ATOM 640 O CYS A 84 13.657 4.650 55.005 1.00 18.73 O +ATOM 641 CB CYS A 84 14.493 5.284 57.788 1.00 12.72 C +ATOM 642 SG CYS A 84 15.254 6.205 59.159 1.00 11.06 S +ATOM 643 N ARG A 85 15.386 3.219 55.109 1.00 18.27 N +ATOM 644 CA ARG A 85 14.862 2.339 54.081 1.00 19.58 C +ATOM 645 C ARG A 85 14.651 0.952 54.664 1.00 17.86 C +ATOM 646 O ARG A 85 15.541 0.395 55.305 1.00 18.50 O +ATOM 647 CB ARG A 85 15.841 2.298 52.906 1.00 24.18 C +ATOM 648 CG ARG A 85 16.162 3.687 52.362 1.00 34.35 C +ATOM 649 CD ARG A 85 17.555 3.761 51.772 1.00 41.26 C +ATOM 650 NE ARG A 85 17.923 5.135 51.436 1.00 49.73 N +ATOM 651 CZ ARG A 85 19.158 5.535 51.143 1.00 52.86 C +ATOM 652 NH1 ARG A 85 20.165 4.670 51.150 1.00 55.79 N +ATOM 653 NH2 ARG A 85 19.389 6.807 50.849 1.00 51.15 N +ATOM 654 N GLU A 86 13.456 0.412 54.472 1.00 19.19 N +ATOM 655 CA GLU A 86 13.120 -0.907 54.983 1.00 19.80 C +ATOM 656 C GLU A 86 14.018 -1.978 54.372 1.00 22.83 C +ATOM 657 O GLU A 86 14.233 -2.006 53.160 1.00 26.17 O +ATOM 658 CB GLU A 86 11.655 -1.215 54.691 1.00 20.68 C +ATOM 659 CG GLU A 86 11.172 -2.527 55.258 1.00 25.45 C +ATOM 660 CD GLU A 86 9.728 -2.817 54.914 1.00 25.53 C +ATOM 661 OE1 GLU A 86 9.299 -2.488 53.785 1.00 29.86 O +ATOM 662 OE2 GLU A 86 9.026 -3.388 55.772 1.00 27.35 O +ATOM 663 N THR A 87 14.574 -2.827 55.229 1.00 23.12 N +ATOM 664 CA THR A 87 15.452 -3.909 54.804 1.00 27.62 C +ATOM 665 C THR A 87 14.647 -5.009 54.105 1.00 31.01 C +ATOM 666 O THR A 87 13.481 -5.242 54.433 1.00 31.01 O +ATOM 667 CB THR A 87 16.197 -4.500 56.019 1.00 27.25 C +ATOM 668 OG1 THR A 87 16.848 -3.441 56.732 1.00 28.93 O +ATOM 669 CG2 THR A 87 17.242 -5.510 55.577 1.00 33.63 C +ATOM 670 N GLY A 88 15.283 -5.697 53.160 1.00 33.47 N +ATOM 671 CA GLY A 88 14.617 -6.765 52.430 1.00 37.40 C +ATOM 672 C GLY A 88 14.143 -7.919 53.300 1.00 37.88 C +ATOM 673 O GLY A 88 13.261 -8.680 52.904 1.00 40.40 O +ATOM 674 N SER A 89 14.732 -8.048 54.484 1.00 35.57 N +ATOM 675 CA SER A 89 14.374 -9.107 55.418 1.00 34.72 C +ATOM 676 C SER A 89 13.339 -8.651 56.450 1.00 33.68 C +ATOM 677 O SER A 89 12.914 -9.431 57.303 1.00 32.35 O +ATOM 678 CB SER A 89 15.635 -9.609 56.121 1.00 37.85 C +ATOM 679 OG SER A 89 16.474 -8.525 56.492 1.00 42.67 O +ATOM 680 N SER A 90 12.941 -7.386 56.361 1.00 31.04 N +ATOM 681 CA SER A 90 11.969 -6.811 57.281 1.00 27.16 C +ATOM 682 C SER A 90 10.573 -7.379 57.049 1.00 26.20 C +ATOM 683 O SER A 90 10.165 -7.608 55.909 1.00 25.59 O +ATOM 684 CB SER A 90 11.945 -5.291 57.127 1.00 19.91 C +ATOM 685 OG SER A 90 10.958 -4.695 57.952 1.00 20.19 O +ATOM 686 N LYS A 91 9.838 -7.575 58.137 1.00 26.47 N +ATOM 687 CA LYS A 91 8.485 -8.106 58.070 1.00 27.17 C +ATOM 688 C LYS A 91 7.718 -7.700 59.319 1.00 26.13 C +ATOM 689 O LYS A 91 8.170 -7.945 60.441 1.00 28.29 O +ATOM 690 CB LYS A 91 8.513 -9.633 57.954 1.00 32.14 C +ATOM 691 CG LYS A 91 7.136 -10.277 57.955 1.00 39.60 C +ATOM 692 CD LYS A 91 7.225 -11.786 58.095 1.00 46.50 C +ATOM 693 CE LYS A 91 5.857 -12.394 58.378 1.00 50.18 C +ATOM 694 NZ LYS A 91 5.292 -11.944 59.687 1.00 51.46 N +ATOM 695 N TYR A 92 6.562 -7.076 59.121 1.00 23.42 N +ATOM 696 CA TYR A 92 5.714 -6.635 60.227 1.00 23.50 C +ATOM 697 C TYR A 92 5.355 -7.836 61.109 1.00 23.31 C +ATOM 698 O TYR A 92 5.091 -8.926 60.601 1.00 26.93 O +ATOM 699 CB TYR A 92 4.438 -5.985 59.669 1.00 18.05 C +ATOM 700 CG TYR A 92 3.499 -5.431 60.719 1.00 15.07 C +ATOM 701 CD1 TYR A 92 3.641 -4.128 61.190 1.00 11.85 C +ATOM 702 CD2 TYR A 92 2.466 -6.210 61.236 1.00 16.19 C +ATOM 703 CE1 TYR A 92 2.777 -3.613 62.149 1.00 17.15 C +ATOM 704 CE2 TYR A 92 1.598 -5.706 62.194 1.00 18.85 C +ATOM 705 CZ TYR A 92 1.757 -4.408 62.646 1.00 18.91 C +ATOM 706 OH TYR A 92 0.889 -3.911 63.587 1.00 24.46 O +ATOM 707 N PRO A 93 5.321 -7.652 62.443 1.00 22.63 N +ATOM 708 CA PRO A 93 5.584 -6.424 63.205 1.00 22.37 C +ATOM 709 C PRO A 93 7.062 -6.093 63.419 1.00 22.84 C +ATOM 710 O PRO A 93 7.393 -5.020 63.926 1.00 22.99 O +ATOM 711 CB PRO A 93 4.882 -6.706 64.530 1.00 21.66 C +ATOM 712 CG PRO A 93 5.108 -8.161 64.708 1.00 21.48 C +ATOM 713 CD PRO A 93 4.815 -8.712 63.332 1.00 21.69 C +ATOM 714 N ASN A 94 7.946 -6.998 63.017 1.00 24.16 N +ATOM 715 CA ASN A 94 9.377 -6.784 63.180 1.00 25.94 C +ATOM 716 C ASN A 94 9.950 -6.009 62.000 1.00 23.54 C +ATOM 717 O ASN A 94 10.520 -6.587 61.071 1.00 26.80 O +ATOM 718 CB ASN A 94 10.101 -8.123 63.352 1.00 30.35 C +ATOM 719 CG ASN A 94 9.693 -8.846 64.623 1.00 34.53 C +ATOM 720 OD1 ASN A 94 9.225 -8.227 65.580 1.00 36.49 O +ATOM 721 ND2 ASN A 94 9.866 -10.161 64.638 1.00 35.38 N +ATOM 722 N CYS A 95 9.771 -4.695 62.030 1.00 20.94 N +ATOM 723 CA CYS A 95 10.266 -3.832 60.968 1.00 18.89 C +ATOM 724 C CYS A 95 11.753 -3.560 61.168 1.00 16.70 C +ATOM 725 O CYS A 95 12.184 -3.222 62.273 1.00 19.81 O +ATOM 726 CB CYS A 95 9.487 -2.515 60.953 1.00 17.01 C +ATOM 727 SG CYS A 95 7.673 -2.700 60.936 1.00 13.82 S +ATOM 728 N ALA A 96 12.530 -3.737 60.102 1.00 16.82 N +ATOM 729 CA ALA A 96 13.977 -3.515 60.129 1.00 16.15 C +ATOM 730 C ALA A 96 14.332 -2.480 59.068 1.00 15.89 C +ATOM 731 O ALA A 96 13.795 -2.512 57.959 1.00 14.88 O +ATOM 732 CB ALA A 96 14.720 -4.820 59.865 1.00 12.98 C +ATOM 733 N TYR A 97 15.257 -1.584 59.396 1.00 15.37 N +ATOM 734 CA TYR A 97 15.650 -0.522 58.479 1.00 12.88 C +ATOM 735 C TYR A 97 17.149 -0.325 58.320 1.00 11.72 C +ATOM 736 O TYR A 97 17.940 -0.641 59.209 1.00 10.82 O +ATOM 737 CB TYR A 97 15.043 0.813 58.931 1.00 12.94 C +ATOM 738 CG TYR A 97 13.536 0.849 58.913 1.00 11.08 C +ATOM 739 CD1 TYR A 97 12.796 0.451 60.022 1.00 9.88 C +ATOM 740 CD2 TYR A 97 12.847 1.257 57.776 1.00 10.28 C +ATOM 741 CE1 TYR A 97 11.404 0.452 59.994 1.00 10.37 C +ATOM 742 CE2 TYR A 97 11.463 1.262 57.740 1.00 10.40 C +ATOM 743 CZ TYR A 97 10.748 0.860 58.846 1.00 9.37 C +ATOM 744 OH TYR A 97 9.374 0.865 58.795 1.00 11.61 O +ATOM 745 N LYS A 98 17.510 0.239 57.175 1.00 13.63 N +ATOM 746 CA LYS A 98 18.881 0.569 56.837 1.00 13.84 C +ATOM 747 C LYS A 98 18.953 2.075 57.052 1.00 13.01 C +ATOM 748 O LYS A 98 18.030 2.800 56.668 1.00 14.17 O +ATOM 749 CB LYS A 98 19.159 0.246 55.368 1.00 19.34 C +ATOM 750 CG LYS A 98 20.487 0.785 54.855 1.00 30.09 C +ATOM 751 CD LYS A 98 20.658 0.525 53.367 1.00 39.66 C +ATOM 752 CE LYS A 98 21.910 1.200 52.829 1.00 42.28 C +ATOM 753 NZ LYS A 98 23.131 0.774 53.568 1.00 44.83 N +ATOM 754 N THR A 99 20.031 2.540 57.670 1.00 10.59 N +ATOM 755 CA THR A 99 20.205 3.958 57.944 1.00 9.68 C +ATOM 756 C THR A 99 21.259 4.571 57.023 1.00 9.51 C +ATOM 757 O THR A 99 22.352 4.021 56.872 1.00 11.52 O +ATOM 758 CB THR A 99 20.623 4.172 59.416 1.00 8.82 C +ATOM 759 OG1 THR A 99 19.635 3.600 60.285 1.00 11.28 O +ATOM 760 CG2 THR A 99 20.765 5.655 59.731 1.00 12.43 C +ATOM 761 N THR A 100 20.922 5.695 56.395 1.00 10.43 N +ATOM 762 CA THR A 100 21.850 6.391 55.504 1.00 11.77 C +ATOM 763 C THR A 100 21.770 7.892 55.767 1.00 7.73 C +ATOM 764 O THR A 100 20.682 8.431 55.934 1.00 10.17 O +ATOM 765 CB THR A 100 21.524 6.106 54.021 1.00 12.45 C +ATOM 766 OG1 THR A 100 21.508 4.690 53.799 1.00 17.82 O +ATOM 767 CG2 THR A 100 22.565 6.738 53.113 1.00 17.90 C +ATOM 768 N GLN A 101 22.916 8.561 55.838 1.00 7.97 N +ATOM 769 CA GLN A 101 22.940 9.998 56.095 1.00 9.86 C +ATOM 770 C GLN A 101 23.614 10.790 54.981 1.00 10.71 C +ATOM 771 O GLN A 101 24.517 10.286 54.311 1.00 8.81 O +ATOM 772 CB GLN A 101 23.628 10.278 57.429 1.00 10.49 C +ATOM 773 CG GLN A 101 22.876 9.724 58.614 1.00 18.53 C +ATOM 774 CD GLN A 101 23.624 9.911 59.903 1.00 21.42 C +ATOM 775 OE1 GLN A 101 24.566 9.176 60.192 1.00 29.14 O +ATOM 776 NE2 GLN A 101 23.222 10.901 60.685 1.00 25.43 N +ATOM 777 N ALA A 102 23.170 12.028 54.786 1.00 7.91 N +ATOM 778 CA ALA A 102 23.722 12.891 53.750 1.00 7.28 C +ATOM 779 C ALA A 102 23.237 14.321 53.941 1.00 6.61 C +ATOM 780 O ALA A 102 22.366 14.577 54.771 1.00 12.21 O +ATOM 781 CB ALA A 102 23.315 12.381 52.371 1.00 5.76 C +ATOM 782 N ASN A 103 23.811 15.243 53.177 1.00 10.54 N +ATOM 783 CA ASN A 103 23.451 16.657 53.229 1.00 13.51 C +ATOM 784 C ASN A 103 22.837 16.982 51.869 1.00 14.41 C +ATOM 785 O ASN A 103 23.559 17.103 50.881 1.00 16.51 O +ATOM 786 CB ASN A 103 24.712 17.503 53.450 1.00 17.54 C +ATOM 787 CG ASN A 103 24.614 18.395 54.670 1.00 21.95 C +ATOM 788 OD1 ASN A 103 24.502 17.915 55.797 1.00 27.39 O +ATOM 789 ND2 ASN A 103 24.670 19.703 54.454 1.00 27.91 N +ATOM 790 N LYS A 104 21.513 17.108 51.812 1.00 15.15 N +ATOM 791 CA LYS A 104 20.827 17.379 50.546 1.00 16.55 C +ATOM 792 C LYS A 104 19.713 18.415 50.648 1.00 14.46 C +ATOM 793 O LYS A 104 19.261 18.753 51.741 1.00 15.05 O +ATOM 794 CB LYS A 104 20.209 16.088 49.998 1.00 20.53 C +ATOM 795 CG LYS A 104 21.182 14.967 49.678 1.00 24.64 C +ATOM 796 CD LYS A 104 20.426 13.751 49.170 1.00 30.14 C +ATOM 797 CE LYS A 104 21.355 12.581 48.904 1.00 36.07 C +ATOM 798 NZ LYS A 104 20.605 11.360 48.487 1.00 36.24 N +ATOM 799 N HIS A 105 19.278 18.920 49.497 1.00 15.47 N +ATOM 800 CA HIS A 105 18.185 19.888 49.439 1.00 14.64 C +ATOM 801 C HIS A 105 16.923 19.072 49.631 1.00 17.77 C +ATOM 802 O HIS A 105 16.801 17.983 49.071 1.00 20.47 O +ATOM 803 CB HIS A 105 18.101 20.552 48.063 1.00 17.10 C +ATOM 804 CG HIS A 105 19.308 21.349 47.691 1.00 16.01 C +ATOM 805 ND1 HIS A 105 19.371 22.717 47.843 1.00 17.47 N +ATOM 806 CD2 HIS A 105 20.496 20.974 47.164 1.00 16.85 C +ATOM 807 CE1 HIS A 105 20.547 23.150 47.428 1.00 16.46 C +ATOM 808 NE2 HIS A 105 21.249 22.112 47.011 1.00 18.31 N +ATOM 809 N ILE A 106 15.984 19.580 50.416 1.00 19.24 N +ATOM 810 CA ILE A 106 14.743 18.857 50.637 1.00 15.62 C +ATOM 811 C ILE A 106 13.610 19.483 49.834 1.00 15.22 C +ATOM 812 O ILE A 106 13.700 20.634 49.402 1.00 15.30 O +ATOM 813 CB ILE A 106 14.359 18.797 52.138 1.00 14.49 C +ATOM 814 CG1 ILE A 106 14.112 20.202 52.692 1.00 14.11 C +ATOM 815 CG2 ILE A 106 15.453 18.085 52.925 1.00 16.16 C +ATOM 816 CD1 ILE A 106 13.620 20.217 54.123 1.00 16.98 C +ATOM 817 N ILE A 107 12.575 18.691 49.591 1.00 15.74 N +ATOM 818 CA ILE A 107 11.398 19.134 48.856 1.00 16.16 C +ATOM 819 C ILE A 107 10.200 18.714 49.698 1.00 13.95 C +ATOM 820 O ILE A 107 10.029 17.526 49.993 1.00 12.77 O +ATOM 821 CB ILE A 107 11.302 18.463 47.458 1.00 17.76 C +ATOM 822 CG1 ILE A 107 12.551 18.778 46.628 1.00 16.64 C +ATOM 823 CG2 ILE A 107 10.044 18.937 46.733 1.00 11.54 C +ATOM 824 CD1 ILE A 107 12.598 18.080 45.285 1.00 17.51 C +ATOM 825 N VAL A 108 9.410 19.690 50.133 1.00 14.13 N +ATOM 826 CA VAL A 108 8.234 19.416 50.952 1.00 13.97 C +ATOM 827 C VAL A 108 6.973 20.018 50.343 1.00 14.15 C +ATOM 828 O VAL A 108 7.045 20.924 49.509 1.00 13.50 O +ATOM 829 CB VAL A 108 8.390 19.973 52.400 1.00 12.35 C +ATOM 830 CG1 VAL A 108 9.555 19.300 53.114 1.00 11.78 C +ATOM 831 CG2 VAL A 108 8.575 21.484 52.376 1.00 9.94 C +ATOM 832 N ALA A 109 5.826 19.479 50.739 1.00 14.75 N +ATOM 833 CA ALA A 109 4.533 19.965 50.277 1.00 17.03 C +ATOM 834 C ALA A 109 3.966 20.774 51.437 1.00 16.70 C +ATOM 835 O ALA A 109 3.963 20.307 52.581 1.00 16.50 O +ATOM 836 CB ALA A 109 3.612 18.798 49.937 1.00 17.71 C +ATOM 837 N CYS A 110 3.499 21.982 51.148 1.00 16.89 N +ATOM 838 CA CYS A 110 2.952 22.849 52.180 1.00 20.67 C +ATOM 839 C CYS A 110 1.479 23.139 51.952 1.00 23.70 C +ATOM 840 O CYS A 110 0.960 22.939 50.851 1.00 23.65 O +ATOM 841 CB CYS A 110 3.727 24.161 52.209 1.00 20.48 C +ATOM 842 SG CYS A 110 5.526 23.939 52.298 1.00 16.16 S +ATOM 843 N GLU A 111 0.814 23.608 53.001 1.00 26.78 N +ATOM 844 CA GLU A 111 -0.599 23.954 52.940 1.00 31.79 C +ATOM 845 C GLU A 111 -1.059 24.535 54.272 1.00 33.59 C +ATOM 846 O GLU A 111 -0.329 24.489 55.264 1.00 31.33 O +ATOM 847 CB GLU A 111 -1.450 22.728 52.585 1.00 32.68 C +ATOM 848 CG GLU A 111 -1.449 21.625 53.629 1.00 36.60 C +ATOM 849 CD GLU A 111 -2.410 20.496 53.294 1.00 39.22 C +ATOM 850 OE1 GLU A 111 -2.237 19.848 52.238 1.00 35.95 O +ATOM 851 OE2 GLU A 111 -3.343 20.256 54.091 1.00 42.15 O +ATOM 852 N GLY A 112 -2.254 25.116 54.270 1.00 37.86 N +ATOM 853 CA GLY A 112 -2.812 25.686 55.483 1.00 40.23 C +ATOM 854 C GLY A 112 -2.433 27.130 55.745 1.00 41.64 C +ATOM 855 O GLY A 112 -1.819 27.794 54.908 1.00 42.61 O +ATOM 856 N ASN A 113 -2.824 27.612 56.919 1.00 40.73 N +ATOM 857 CA ASN A 113 -2.548 28.974 57.348 1.00 40.29 C +ATOM 858 C ASN A 113 -2.307 28.933 58.854 1.00 38.54 C +ATOM 859 O ASN A 113 -3.226 28.644 59.621 1.00 41.03 O +ATOM 860 CB ASN A 113 -3.741 29.880 57.030 1.00 45.02 C +ATOM 861 CG ASN A 113 -3.582 31.276 57.601 1.00 48.00 C +ATOM 862 OD1 ASN A 113 -2.506 31.868 57.534 1.00 51.62 O +ATOM 863 ND2 ASN A 113 -4.653 31.803 58.176 1.00 49.96 N +ATOM 864 N PRO A 114 -1.059 29.173 59.296 1.00 35.69 N +ATOM 865 CA PRO A 114 0.129 29.477 58.488 1.00 33.47 C +ATOM 866 C PRO A 114 0.535 28.372 57.511 1.00 31.04 C +ATOM 867 O PRO A 114 0.236 27.192 57.721 1.00 29.44 O +ATOM 868 CB PRO A 114 1.207 29.719 59.546 1.00 32.32 C +ATOM 869 CG PRO A 114 0.770 28.848 60.679 1.00 33.14 C +ATOM 870 CD PRO A 114 -0.707 29.124 60.727 1.00 34.13 C +ATOM 871 N TYR A 115 1.205 28.780 56.439 1.00 27.34 N +ATOM 872 CA TYR A 115 1.666 27.873 55.396 1.00 23.65 C +ATOM 873 C TYR A 115 2.837 27.060 55.946 1.00 22.07 C +ATOM 874 O TYR A 115 3.957 27.566 56.045 1.00 23.05 O +ATOM 875 CB TYR A 115 2.112 28.695 54.185 1.00 18.31 C +ATOM 876 CG TYR A 115 1.996 27.988 52.858 1.00 17.05 C +ATOM 877 CD1 TYR A 115 0.796 27.401 52.460 1.00 18.69 C +ATOM 878 CD2 TYR A 115 3.075 27.936 51.981 1.00 15.83 C +ATOM 879 CE1 TYR A 115 0.674 26.784 51.218 1.00 21.55 C +ATOM 880 CE2 TYR A 115 2.964 27.322 50.739 1.00 18.58 C +ATOM 881 CZ TYR A 115 1.762 26.750 50.362 1.00 18.97 C +ATOM 882 OH TYR A 115 1.647 26.157 49.128 1.00 21.50 O +ATOM 883 N VAL A 116 2.572 25.810 56.318 1.00 20.75 N +ATOM 884 CA VAL A 116 3.604 24.941 56.879 1.00 16.45 C +ATOM 885 C VAL A 116 3.731 23.605 56.154 1.00 15.92 C +ATOM 886 O VAL A 116 2.807 23.174 55.452 1.00 14.97 O +ATOM 887 CB VAL A 116 3.356 24.663 58.388 1.00 16.26 C +ATOM 888 CG1 VAL A 116 3.574 25.927 59.207 1.00 18.29 C +ATOM 889 CG2 VAL A 116 1.951 24.112 58.606 1.00 16.48 C +ATOM 890 N PRO A 117 4.902 22.950 56.281 1.00 15.97 N +ATOM 891 CA PRO A 117 5.163 21.655 55.642 1.00 11.95 C +ATOM 892 C PRO A 117 4.270 20.580 56.248 1.00 12.25 C +ATOM 893 O PRO A 117 4.149 20.483 57.472 1.00 13.28 O +ATOM 894 CB PRO A 117 6.631 21.395 55.985 1.00 9.67 C +ATOM 895 CG PRO A 117 7.201 22.765 56.157 1.00 12.33 C +ATOM 896 CD PRO A 117 6.121 23.452 56.942 1.00 13.56 C +ATOM 897 N VAL A 118 3.633 19.787 55.395 1.00 12.09 N +ATOM 898 CA VAL A 118 2.750 18.725 55.863 1.00 11.77 C +ATOM 899 C VAL A 118 3.160 17.355 55.330 1.00 13.54 C +ATOM 900 O VAL A 118 2.691 16.325 55.817 1.00 15.08 O +ATOM 901 CB VAL A 118 1.277 19.014 55.490 1.00 8.70 C +ATOM 902 CG1 VAL A 118 0.793 20.264 56.212 1.00 8.56 C +ATOM 903 CG2 VAL A 118 1.130 19.186 53.988 1.00 9.68 C +ATOM 904 N HIS A 119 4.060 17.349 54.350 1.00 16.54 N +ATOM 905 CA HIS A 119 4.540 16.111 53.747 1.00 16.25 C +ATOM 906 C HIS A 119 5.933 16.264 53.148 1.00 13.40 C +ATOM 907 O HIS A 119 6.216 17.246 52.464 1.00 12.81 O +ATOM 908 CB HIS A 119 3.566 15.648 52.656 1.00 21.92 C +ATOM 909 CG HIS A 119 4.130 14.598 51.746 1.00 29.54 C +ATOM 910 ND1 HIS A 119 4.503 13.346 52.191 1.00 34.44 N +ATOM 911 CD2 HIS A 119 4.398 14.620 50.418 1.00 25.48 C +ATOM 912 CE1 HIS A 119 4.975 12.643 51.178 1.00 33.01 C +ATOM 913 NE2 HIS A 119 4.924 13.394 50.091 1.00 30.75 N +ATOM 914 N PHE A 120 6.795 15.284 53.403 1.00 13.41 N +ATOM 915 CA PHE A 120 8.150 15.292 52.860 1.00 14.85 C +ATOM 916 C PHE A 120 8.059 14.614 51.496 1.00 16.92 C +ATOM 917 O PHE A 120 7.732 13.431 51.411 1.00 18.57 O +ATOM 918 CB PHE A 120 9.104 14.512 53.764 1.00 13.71 C +ATOM 919 CG PHE A 120 10.548 14.650 53.378 1.00 14.99 C +ATOM 920 CD1 PHE A 120 11.089 13.872 52.357 1.00 14.64 C +ATOM 921 CD2 PHE A 120 11.360 15.585 54.010 1.00 12.69 C +ATOM 922 CE1 PHE A 120 12.413 14.027 51.971 1.00 15.01 C +ATOM 923 CE2 PHE A 120 12.688 15.749 53.632 1.00 13.61 C +ATOM 924 CZ PHE A 120 13.217 14.969 52.609 1.00 15.77 C +ATOM 925 N ASP A 121 8.333 15.364 50.435 1.00 16.95 N +ATOM 926 CA ASP A 121 8.243 14.825 49.085 1.00 16.94 C +ATOM 927 C ASP A 121 9.495 14.088 48.628 1.00 19.12 C +ATOM 928 O ASP A 121 9.419 12.912 48.258 1.00 18.02 O +ATOM 929 CB ASP A 121 7.875 15.936 48.098 1.00 20.53 C +ATOM 930 CG ASP A 121 7.302 15.398 46.800 1.00 22.24 C +ATOM 931 OD1 ASP A 121 6.228 14.761 46.836 1.00 23.65 O +ATOM 932 OD2 ASP A 121 7.924 15.615 45.742 1.00 22.86 O +ATOM 933 N ALA A 122 10.646 14.755 48.674 1.00 20.53 N +ATOM 934 CA ALA A 122 11.896 14.131 48.244 1.00 22.41 C +ATOM 935 C ALA A 122 13.128 14.967 48.571 1.00 21.92 C +ATOM 936 O ALA A 122 13.019 16.060 49.129 1.00 20.68 O +ATOM 937 CB ALA A 122 11.851 13.843 46.743 1.00 23.88 C +ATOM 938 N SER A 123 14.292 14.432 48.213 1.00 22.75 N +ATOM 939 CA SER A 123 15.582 15.082 48.427 1.00 25.86 C +ATOM 940 C SER A 123 16.302 15.149 47.081 1.00 26.87 C +ATOM 941 O SER A 123 15.920 14.458 46.129 1.00 26.71 O +ATOM 942 CB SER A 123 16.436 14.270 49.410 1.00 21.72 C +ATOM 943 OG SER A 123 15.748 14.039 50.626 1.00 33.19 O +ATOM 944 N VAL A 124 17.340 15.975 47.009 1.00 29.76 N +ATOM 945 CA VAL A 124 18.124 16.136 45.792 1.00 30.39 C +ATOM 946 C VAL A 124 19.477 16.764 46.125 1.00 32.30 C +ATOM 947 O VAL A 124 19.529 17.646 47.009 1.00 34.64 O +ATOM 948 CB VAL A 124 17.358 16.987 44.731 1.00 30.17 C +ATOM 949 CG1 VAL A 124 17.006 18.362 45.284 1.00 27.65 C +ATOM 950 CG2 VAL A 124 18.175 17.110 43.454 1.00 33.28 C +ATOM 951 OXT VAL A 124 20.487 16.337 45.531 1.00 35.20 O +TER 952 VAL A 124 +END diff --git a/bench/main_benchmark/structures/SFB_OL_STEFINB_1STFI_2OCTA/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_STEFINB_1STFI_2OCTA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..1080e56d0b5c5c29a0a381f6f9684d0ac23f9abe --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_STEFINB_1STFI_2OCTA/state_a.pdb @@ -0,0 +1,791 @@ +ATOM 1 N MET I 6 2.223 55.920 41.077 1.00 25.30 N +ATOM 2 CA MET I 6 2.779 56.041 39.678 1.00 33.43 C +ATOM 3 C MET I 6 3.405 54.741 39.103 1.00 37.66 C +ATOM 4 O MET I 6 2.636 53.868 38.652 1.00 29.78 O +ATOM 5 CB MET I 6 3.743 57.232 39.530 0.00 0.00 C +ATOM 6 CG MET I 6 3.891 57.665 38.057 0.00 0.00 C +ATOM 7 SD MET I 6 5.003 59.053 37.762 0.00 0.00 S +ATOM 8 CE MET I 6 4.714 59.261 35.994 0.00 0.00 C +ATOM 9 N MET I 7 4.744 54.578 39.346 1.00 11.54 N +ATOM 10 CA MET I 7 5.540 53.340 39.146 1.00 8.89 C +ATOM 11 C MET I 7 5.112 52.133 39.995 1.00 9.83 C +ATOM 12 O MET I 7 5.354 52.120 41.191 1.00 9.57 O +ATOM 13 CB MET I 7 6.936 53.695 39.607 1.00 6.00 C +ATOM 14 CG MET I 7 7.982 53.213 38.608 1.00 22.68 C +ATOM 15 SD MET I 7 8.356 51.475 38.667 1.00 24.77 S +ATOM 16 CE MET I 7 10.078 51.593 39.196 0.00 0.00 C +ATOM 17 N SER I 8 4.335 51.221 39.417 1.00 9.78 N +ATOM 18 CA SER I 8 3.691 50.115 40.107 1.00 6.00 C +ATOM 19 C SER I 8 4.527 48.861 39.943 1.00 7.99 C +ATOM 20 O SER I 8 4.858 48.551 38.809 1.00 10.62 O +ATOM 21 CB SER I 8 2.340 49.869 39.442 1.00 6.00 C +ATOM 22 OG SER I 8 1.511 51.025 39.633 1.00 6.00 O +ATOM 23 N GLY I 9 4.727 48.103 41.003 1.00 6.00 N +ATOM 24 CA GLY I 9 5.302 46.763 40.843 1.00 6.00 C +ATOM 25 C GLY I 9 6.809 46.698 41.075 1.00 6.00 C +ATOM 26 O GLY I 9 7.424 45.681 40.770 1.00 6.00 O +ATOM 27 N ALA I 10 7.379 47.759 41.587 1.00 16.39 N +ATOM 28 CA ALA I 10 8.816 47.716 41.907 1.00 17.54 C +ATOM 29 C ALA I 10 9.065 47.197 43.333 1.00 17.79 C +ATOM 30 O ALA I 10 8.268 47.478 44.241 1.00 15.81 O +ATOM 31 CB ALA I 10 9.393 49.128 41.743 1.00 16.63 C +ATOM 32 N PRO I 11 10.166 46.465 43.542 1.00 19.43 N +ATOM 33 CA PRO I 11 10.516 46.084 44.913 1.00 21.87 C +ATOM 34 C PRO I 11 10.656 47.305 45.837 1.00 18.85 C +ATOM 35 O PRO I 11 10.968 48.433 45.424 1.00 19.04 O +ATOM 36 CB PRO I 11 11.787 45.215 44.800 1.00 13.81 C +ATOM 37 CG PRO I 11 11.961 44.943 43.321 1.00 6.00 C +ATOM 38 CD PRO I 11 11.198 46.023 42.592 1.00 6.00 C +ATOM 39 N SER I 12 10.484 47.027 47.083 1.00 14.51 N +ATOM 40 CA SER I 12 10.747 48.005 48.126 1.00 18.15 C +ATOM 41 C SER I 12 12.237 48.348 48.219 1.00 19.50 C +ATOM 42 O SER I 12 13.091 47.561 47.807 1.00 18.46 O +ATOM 43 CB SER I 12 10.361 47.390 49.481 1.00 17.61 C +ATOM 44 OG SER I 12 11.294 46.380 49.931 1.00 9.98 O +ATOM 45 N ALA I 13 12.525 49.379 48.984 1.00 19.44 N +ATOM 46 CA ALA I 13 13.901 49.630 49.402 1.00 16.69 C +ATOM 47 C ALA I 13 14.379 48.590 50.421 1.00 17.36 C +ATOM 48 O ALA I 13 13.602 47.816 50.990 1.00 16.56 O +ATOM 49 CB ALA I 13 14.033 51.035 49.979 1.00 16.10 C +ATOM 50 N THR I 14 15.684 48.489 50.443 1.00 25.15 N +ATOM 51 CA THR I 14 16.353 47.455 51.202 1.00 22.82 C +ATOM 52 C THR I 14 16.164 47.733 52.676 1.00 21.00 C +ATOM 53 O THR I 14 16.414 48.830 53.163 1.00 22.79 O +ATOM 54 CB THR I 14 17.858 47.349 50.860 1.00 24.13 C +ATOM 55 OG1 THR I 14 18.072 47.245 49.444 1.00 28.12 O +ATOM 56 CG2 THR I 14 18.502 46.125 51.530 1.00 27.10 C +ATOM 57 N GLN I 15 15.569 46.763 53.258 1.00 17.56 N +ATOM 58 CA GLN I 15 15.274 46.693 54.662 1.00 15.97 C +ATOM 59 C GLN I 15 16.126 45.595 55.285 1.00 17.18 C +ATOM 60 O GLN I 15 16.638 44.715 54.605 1.00 16.41 O +ATOM 61 CB GLN I 15 13.801 46.318 54.751 1.00 11.01 C +ATOM 62 CG GLN I 15 12.994 47.488 54.228 1.00 37.34 C +ATOM 63 CD GLN I 15 11.545 47.065 54.326 1.00 45.11 C +ATOM 64 OE1 GLN I 15 10.881 47.445 55.291 1.00 44.54 O +ATOM 65 NE2 GLN I 15 11.105 46.284 53.340 1.00 45.24 N +ATOM 66 N PRO I 16 16.424 45.759 56.543 1.00 23.41 N +ATOM 67 CA PRO I 16 17.360 44.845 57.201 1.00 22.06 C +ATOM 68 C PRO I 16 16.554 43.740 57.836 1.00 18.34 C +ATOM 69 O PRO I 16 15.340 43.929 58.003 1.00 18.82 O +ATOM 70 CB PRO I 16 18.075 45.732 58.236 1.00 22.62 C +ATOM 71 CG PRO I 16 17.533 47.143 58.012 1.00 38.96 C +ATOM 72 CD PRO I 16 16.159 46.944 57.381 1.00 38.92 C +ATOM 73 N ALA I 17 17.175 42.572 57.783 1.00 21.55 N +ATOM 74 CA ALA I 17 16.423 41.337 58.016 1.00 21.86 C +ATOM 75 C ALA I 17 15.734 41.337 59.382 1.00 26.40 C +ATOM 76 O ALA I 17 16.326 41.701 60.398 1.00 23.81 O +ATOM 77 CB ALA I 17 17.346 40.123 57.890 1.00 19.95 C +ATOM 78 N THR I 18 14.549 40.779 59.416 1.00 18.72 N +ATOM 79 CA THR I 18 13.918 40.485 60.699 1.00 17.02 C +ATOM 80 C THR I 18 13.945 38.987 60.993 1.00 19.40 C +ATOM 81 O THR I 18 14.712 38.235 60.397 1.00 18.94 O +ATOM 82 CB THR I 18 12.478 41.005 60.702 1.00 11.48 C +ATOM 83 OG1 THR I 18 11.683 40.232 59.824 1.00 11.36 O +ATOM 84 CG2 THR I 18 12.472 42.452 60.212 1.00 16.04 C +ATOM 85 N ALA I 19 13.135 38.591 61.931 1.00 29.20 N +ATOM 86 CA ALA I 19 13.102 37.187 62.295 1.00 29.44 C +ATOM 87 C ALA I 19 12.335 36.460 61.208 1.00 29.74 C +ATOM 88 O ALA I 19 12.581 35.274 60.963 1.00 29.68 O +ATOM 89 CB ALA I 19 12.330 37.033 63.621 1.00 31.54 C +ATOM 90 N GLU I 20 11.444 37.236 60.599 1.00 19.15 N +ATOM 91 CA GLU I 20 10.599 36.740 59.493 1.00 19.22 C +ATOM 92 C GLU I 20 11.505 36.462 58.299 1.00 11.43 C +ATOM 93 O GLU I 20 11.405 35.409 57.692 1.00 14.93 O +ATOM 94 CB GLU I 20 9.545 37.809 59.122 1.00 19.39 C +ATOM 95 CG GLU I 20 8.403 37.257 58.223 1.00 31.15 C +ATOM 96 CD GLU I 20 7.837 38.447 57.455 0.00 0.00 C +ATOM 97 OE1 GLU I 20 8.520 39.501 57.346 0.00 0.00 O +ATOM 98 OE2 GLU I 20 6.699 38.386 56.918 0.00 0.00 O +ATOM 99 N THR I 21 12.429 37.382 58.124 1.00 14.40 N +ATOM 100 CA THR I 21 13.376 37.308 57.032 1.00 17.54 C +ATOM 101 C THR I 21 14.198 36.031 57.195 1.00 21.37 C +ATOM 102 O THR I 21 14.296 35.225 56.261 1.00 19.28 O +ATOM 103 CB THR I 21 14.301 38.544 56.960 1.00 15.68 C +ATOM 104 OG1 THR I 21 13.567 39.776 57.056 1.00 6.00 O +ATOM 105 CG2 THR I 21 15.170 38.554 55.683 1.00 6.00 C +ATOM 106 N GLN I 22 14.629 35.814 58.421 1.00 9.34 N +ATOM 107 CA GLN I 22 15.469 34.645 58.654 1.00 6.00 C +ATOM 108 C GLN I 22 14.641 33.386 58.569 1.00 10.56 C +ATOM 109 O GLN I 22 15.140 32.403 58.016 1.00 11.21 O +ATOM 110 CB GLN I 22 16.131 34.719 60.027 1.00 8.82 C +ATOM 111 CG GLN I 22 16.998 33.482 60.334 1.00 7.26 C +ATOM 112 CD GLN I 22 18.272 33.457 59.503 1.00 7.41 C +ATOM 113 OE1 GLN I 22 18.890 34.515 59.363 1.00 6.35 O +ATOM 114 NE2 GLN I 22 18.612 32.246 59.003 1.00 6.32 N +ATOM 115 N HIS I 23 13.390 33.471 58.916 1.00 6.00 N +ATOM 116 CA HIS I 23 12.673 32.209 58.844 1.00 6.00 C +ATOM 117 C HIS I 23 12.375 31.784 57.416 1.00 6.00 C +ATOM 118 O HIS I 23 12.436 30.601 57.106 1.00 6.00 O +ATOM 119 CB HIS I 23 11.362 32.382 59.592 1.00 6.00 C +ATOM 120 CG HIS I 23 10.413 31.207 59.315 1.00 55.24 C +ATOM 121 ND1 HIS I 23 10.717 29.922 59.801 1.00 56.93 N +ATOM 122 CD2 HIS I 23 9.241 31.169 58.630 1.00 55.90 C +ATOM 123 CE1 HIS I 23 9.648 29.059 59.421 1.00 58.35 C +ATOM 124 NE2 HIS I 23 8.717 29.845 58.675 1.00 55.82 N +ATOM 125 N ILE I 24 12.120 32.777 56.595 1.00 6.00 N +ATOM 126 CA ILE I 24 11.831 32.626 55.164 1.00 6.00 C +ATOM 127 C ILE I 24 13.070 32.064 54.478 1.00 6.00 C +ATOM 128 O ILE I 24 12.948 31.049 53.811 1.00 8.03 O +ATOM 129 CB ILE I 24 11.377 33.982 54.537 1.00 7.20 C +ATOM 130 CG1 ILE I 24 9.978 34.387 55.040 1.00 6.00 C +ATOM 131 CG2 ILE I 24 11.423 34.072 52.984 1.00 6.00 C +ATOM 132 CD1 ILE I 24 9.743 35.887 54.777 1.00 7.27 C +ATOM 133 N ALA I 25 14.242 32.613 54.769 1.00 7.96 N +ATOM 134 CA ALA I 25 15.505 32.055 54.269 1.00 6.44 C +ATOM 135 C ALA I 25 15.668 30.575 54.664 1.00 15.09 C +ATOM 136 O ALA I 25 16.044 29.715 53.857 1.00 11.39 O +ATOM 137 CB ALA I 25 16.671 32.858 54.880 1.00 6.69 C +ATOM 138 N ASP I 26 15.446 30.324 55.949 1.00 13.92 N +ATOM 139 CA ASP I 26 15.763 29.029 56.522 1.00 7.96 C +ATOM 140 C ASP I 26 14.846 27.995 55.945 1.00 8.73 C +ATOM 141 O ASP I 26 15.294 26.869 55.792 1.00 12.67 O +ATOM 142 CB ASP I 26 15.569 29.029 58.042 1.00 13.85 C +ATOM 143 CG ASP I 26 16.784 29.612 58.773 1.00 24.14 C +ATOM 144 OD1 ASP I 26 17.977 29.471 58.370 1.00 21.47 O +ATOM 145 OD2 ASP I 26 16.571 30.229 59.847 1.00 24.26 O +ATOM 146 N GLN I 27 13.671 28.407 55.533 1.00 9.01 N +ATOM 147 CA GLN I 27 12.734 27.503 54.796 1.00 10.04 C +ATOM 148 C GLN I 27 13.263 26.949 53.461 1.00 11.83 C +ATOM 149 O GLN I 27 12.598 26.183 52.764 1.00 12.10 O +ATOM 150 CB GLN I 27 11.454 28.307 54.487 1.00 8.98 C +ATOM 151 CG GLN I 27 10.725 28.773 55.749 1.00 35.95 C +ATOM 152 CD GLN I 27 9.785 27.663 56.180 1.00 41.46 C +ATOM 153 OE1 GLN I 27 8.578 27.877 56.118 1.00 42.88 O +ATOM 154 NE2 GLN I 27 10.315 26.519 56.590 1.00 42.24 N +ATOM 155 N VAL I 28 14.190 27.669 52.906 1.00 11.03 N +ATOM 156 CA VAL I 28 14.524 27.512 51.492 1.00 7.36 C +ATOM 157 C VAL I 28 15.981 27.069 51.423 1.00 6.78 C +ATOM 158 O VAL I 28 16.413 26.606 50.381 1.00 6.00 O +ATOM 159 CB VAL I 28 14.233 28.911 50.935 1.00 6.00 C +ATOM 160 CG1 VAL I 28 15.324 29.522 50.099 1.00 6.00 C +ATOM 161 CG2 VAL I 28 12.880 28.877 50.249 1.00 6.00 C +ATOM 162 N ARG I 29 16.633 27.098 52.596 1.00 6.74 N +ATOM 163 CA ARG I 29 18.041 26.718 52.766 1.00 6.24 C +ATOM 164 C ARG I 29 18.409 25.447 51.990 1.00 6.00 C +ATOM 165 O ARG I 29 19.430 25.332 51.314 1.00 6.00 O +ATOM 166 CB ARG I 29 18.472 26.612 54.248 1.00 6.00 C +ATOM 167 CG ARG I 29 19.990 26.768 54.216 1.00 15.14 C +ATOM 168 CD ARG I 29 20.785 26.035 55.278 1.00 12.93 C +ATOM 169 NE ARG I 29 20.414 26.515 56.591 1.00 20.90 N +ATOM 170 CZ ARG I 29 21.333 26.604 57.572 1.00 24.25 C +ATOM 171 NH1 ARG I 29 22.627 26.352 57.348 1.00 13.58 N +ATOM 172 NH2 ARG I 29 20.923 26.981 58.793 1.00 21.56 N +ATOM 173 N SER I 30 17.587 24.491 52.135 1.00 7.43 N +ATOM 174 CA SER I 30 17.973 23.177 51.639 1.00 8.73 C +ATOM 175 C SER I 30 17.877 23.096 50.132 1.00 6.78 C +ATOM 176 O SER I 30 18.665 22.365 49.543 1.00 7.07 O +ATOM 177 CB SER I 30 17.006 22.120 52.213 1.00 13.27 C +ATOM 178 OG SER I 30 17.197 22.039 53.641 1.00 39.70 O +ATOM 179 N GLN I 31 16.850 23.738 49.626 1.00 10.56 N +ATOM 180 CA GLN I 31 16.626 23.812 48.184 1.00 12.38 C +ATOM 181 C GLN I 31 17.861 24.435 47.527 1.00 12.02 C +ATOM 182 O GLN I 31 18.305 23.937 46.501 1.00 11.46 O +ATOM 183 CB GLN I 31 15.397 24.691 47.857 1.00 10.91 C +ATOM 184 CG GLN I 31 14.077 24.211 48.484 1.00 35.65 C +ATOM 185 CD GLN I 31 12.945 25.140 48.025 1.00 38.37 C +ATOM 186 OE1 GLN I 31 12.946 25.584 46.868 1.00 37.47 O +ATOM 187 NE2 GLN I 31 12.001 25.411 48.937 1.00 36.22 N +ATOM 188 N LEU I 32 18.411 25.453 48.147 1.00 7.19 N +ATOM 189 CA LEU I 32 19.640 26.104 47.650 1.00 6.52 C +ATOM 190 C LEU I 32 20.750 25.055 47.592 1.00 10.16 C +ATOM 191 O LEU I 32 21.557 25.036 46.651 1.00 7.99 O +ATOM 192 CB LEU I 32 20.088 27.143 48.709 1.00 6.00 C +ATOM 193 CG LEU I 32 20.808 28.381 48.160 1.00 7.61 C +ATOM 194 CD1 LEU I 32 21.726 29.058 49.177 1.00 6.00 C +ATOM 195 CD2 LEU I 32 21.549 28.120 46.855 1.00 13.67 C +ATOM 196 N GLU I 33 20.874 24.410 48.752 1.00 25.11 N +ATOM 197 CA GLU I 33 22.051 23.607 49.023 1.00 22.95 C +ATOM 198 C GLU I 33 22.101 22.437 48.065 1.00 22.99 C +ATOM 199 O GLU I 33 23.185 22.028 47.647 1.00 23.11 O +ATOM 200 CB GLU I 33 22.047 23.114 50.474 1.00 22.65 C +ATOM 201 CG GLU I 33 22.484 24.239 51.426 1.00 15.66 C +ATOM 202 CD GLU I 33 22.564 23.686 52.849 1.00 11.96 C +ATOM 203 OE1 GLU I 33 21.950 22.629 53.112 1.00 11.18 O +ATOM 204 OE2 GLU I 33 23.220 24.271 53.753 1.00 10.55 O +ATOM 205 N GLU I 34 20.898 22.007 47.741 1.00 20.03 N +ATOM 206 CA GLU I 34 20.672 20.889 46.808 1.00 19.11 C +ATOM 207 C GLU I 34 20.854 21.314 45.348 1.00 24.10 C +ATOM 208 O GLU I 34 21.533 20.625 44.592 1.00 22.28 O +ATOM 209 CB GLU I 34 19.290 20.280 47.042 1.00 21.27 C +ATOM 210 CG GLU I 34 19.160 18.823 46.558 1.00 19.72 C +ATOM 211 CD GLU I 34 17.804 18.257 46.967 0.00 0.00 C +ATOM 212 OE1 GLU I 34 16.861 19.027 47.291 0.00 0.00 O +ATOM 213 OE2 GLU I 34 17.617 17.011 46.975 0.00 0.00 O +ATOM 214 N LYS I 35 20.507 22.560 45.032 1.00 14.72 N +ATOM 215 CA LYS I 35 20.763 23.066 43.680 1.00 6.00 C +ATOM 216 C LYS I 35 22.200 23.469 43.516 1.00 6.00 C +ATOM 217 O LYS I 35 22.672 23.372 42.392 1.00 9.10 O +ATOM 218 CB LYS I 35 19.935 24.311 43.413 1.00 6.00 C +ATOM 219 CG LYS I 35 18.497 23.883 43.227 1.00 25.96 C +ATOM 220 CD LYS I 35 17.599 25.083 42.953 1.00 31.01 C +ATOM 221 CE LYS I 35 16.229 24.581 42.431 1.00 37.97 C +ATOM 222 NZ LYS I 35 15.306 25.696 42.089 1.00 39.18 N +ATOM 223 N TYR I 36 22.788 24.023 44.551 1.00 6.00 N +ATOM 224 CA TYR I 36 24.173 24.490 44.385 1.00 6.00 C +ATOM 225 C TYR I 36 25.231 23.382 44.554 1.00 6.00 C +ATOM 226 O TYR I 36 26.409 23.581 44.232 1.00 6.00 O +ATOM 227 CB TYR I 36 24.489 25.754 45.223 1.00 6.00 C +ATOM 228 CG TYR I 36 25.617 26.538 44.524 1.00 23.53 C +ATOM 229 CD1 TYR I 36 25.502 26.800 43.160 1.00 26.52 C +ATOM 230 CD2 TYR I 36 26.706 27.026 45.237 1.00 23.18 C +ATOM 231 CE1 TYR I 36 26.452 27.599 42.479 1.00 26.47 C +ATOM 232 CE2 TYR I 36 27.693 27.809 44.585 1.00 26.35 C +ATOM 233 CZ TYR I 36 27.559 28.123 43.196 1.00 30.22 C +ATOM 234 OH TYR I 36 28.491 28.948 42.545 1.00 22.44 O +ATOM 235 N ASN I 37 24.798 22.246 45.073 1.00 7.10 N +ATOM 236 CA ASN I 37 25.727 21.153 45.441 1.00 9.01 C +ATOM 237 C ASN I 37 26.787 21.621 46.462 1.00 10.60 C +ATOM 238 O ASN I 37 28.000 21.442 46.289 1.00 9.51 O +ATOM 239 CB ASN I 37 26.351 20.456 44.190 1.00 11.21 C +ATOM 240 CG ASN I 37 27.028 19.147 44.630 1.00 20.69 C +ATOM 241 OD1 ASN I 37 26.379 18.293 45.240 1.00 20.09 O +ATOM 242 ND2 ASN I 37 28.312 19.020 44.336 1.00 18.48 N +ATOM 243 N LYS I 38 26.309 22.442 47.393 1.00 21.51 N +ATOM 244 CA LYS I 38 27.125 23.077 48.456 1.00 20.71 C +ATOM 245 C LYS I 38 26.342 23.160 49.757 1.00 22.34 C +ATOM 246 O LYS I 38 25.201 23.631 49.787 1.00 18.61 O +ATOM 247 CB LYS I 38 27.528 24.511 48.112 1.00 19.99 C +ATOM 248 CG LYS I 38 28.567 25.060 49.109 1.00 25.63 C +ATOM 249 CD LYS I 38 29.183 26.333 48.547 1.00 31.67 C +ATOM 250 CE LYS I 38 30.428 26.811 49.321 1.00 34.37 C +ATOM 251 NZ LYS I 38 30.750 28.219 48.922 1.00 35.39 N +ATOM 252 N LYS I 39 27.020 22.804 50.819 1.00 27.33 N +ATOM 253 CA LYS I 39 26.386 22.982 52.115 1.00 27.00 C +ATOM 254 C LYS I 39 26.872 24.264 52.759 1.00 24.60 C +ATOM 255 O LYS I 39 28.073 24.501 52.822 1.00 26.63 O +ATOM 256 CB LYS I 39 26.637 21.794 53.038 1.00 24.60 C +ATOM 257 CG LYS I 39 25.859 20.574 52.554 1.00 51.05 C +ATOM 258 CD LYS I 39 25.984 19.464 53.599 1.00 55.84 C +ATOM 259 CE LYS I 39 25.353 18.137 53.142 1.00 56.98 C +ATOM 260 NZ LYS I 39 25.724 17.080 54.105 1.00 56.17 N +ATOM 261 N PHE I 40 25.930 25.082 53.137 1.00 23.43 N +ATOM 262 CA PHE I 40 26.286 26.334 53.776 1.00 24.30 C +ATOM 263 C PHE I 40 26.147 26.121 55.278 1.00 30.97 C +ATOM 264 O PHE I 40 25.004 25.994 55.733 1.00 28.10 O +ATOM 265 CB PHE I 40 25.345 27.461 53.310 1.00 21.07 C +ATOM 266 CG PHE I 40 25.421 27.628 51.782 1.00 21.59 C +ATOM 267 CD1 PHE I 40 26.465 28.321 51.212 1.00 21.48 C +ATOM 268 CD2 PHE I 40 24.453 27.054 50.985 1.00 19.70 C +ATOM 269 CE1 PHE I 40 26.539 28.444 49.826 1.00 22.31 C +ATOM 270 CE2 PHE I 40 24.520 27.176 49.616 1.00 19.61 C +ATOM 271 CZ PHE I 40 25.565 27.869 49.029 1.00 22.03 C +ATOM 272 N PRO I 43 27.308 26.061 55.962 1.00 32.16 N +ATOM 273 CA PRO I 43 27.405 25.998 57.481 1.00 31.13 C +ATOM 274 C PRO I 43 26.706 27.143 58.241 1.00 30.49 C +ATOM 275 O PRO I 43 25.940 26.894 59.171 1.00 29.71 O +ATOM 276 CB PRO I 43 28.907 26.164 57.736 1.00 30.20 C +ATOM 277 CG PRO I 43 29.609 26.004 56.385 1.00 39.00 C +ATOM 278 CD PRO I 43 28.605 26.409 55.327 1.00 36.49 C +ATOM 279 N VAL I 44 26.955 28.370 57.767 1.00 18.81 N +ATOM 280 CA VAL I 44 26.362 29.649 58.171 1.00 14.78 C +ATOM 281 C VAL I 44 25.318 30.117 57.140 1.00 19.97 C +ATOM 282 O VAL I 44 25.506 29.889 55.942 1.00 18.23 O +ATOM 283 CB VAL I 44 27.492 30.687 58.259 1.00 13.74 C +ATOM 284 CG1 VAL I 44 26.998 31.958 58.956 1.00 10.94 C +ATOM 285 CG2 VAL I 44 28.785 30.100 58.867 1.00 7.48 C +ATOM 286 N PHE I 45 24.167 30.625 57.610 1.00 19.17 N +ATOM 287 CA PHE I 45 23.039 31.015 56.745 1.00 12.03 C +ATOM 288 C PHE I 45 22.283 32.196 57.348 1.00 13.22 C +ATOM 289 O PHE I 45 21.158 32.084 57.850 1.00 15.38 O +ATOM 290 CB PHE I 45 22.083 29.838 56.543 1.00 11.03 C +ATOM 291 CG PHE I 45 21.364 29.979 55.206 1.00 11.86 C +ATOM 292 CD1 PHE I 45 22.126 29.985 54.053 1.00 18.33 C +ATOM 293 CD2 PHE I 45 19.990 30.085 55.147 1.00 11.14 C +ATOM 294 CE1 PHE I 45 21.519 30.097 52.808 1.00 15.07 C +ATOM 295 CE2 PHE I 45 19.366 30.182 53.912 1.00 13.98 C +ATOM 296 CZ PHE I 45 20.138 30.191 52.737 1.00 14.86 C +ATOM 297 N LYS I 46 22.947 33.300 57.348 1.00 13.44 N +ATOM 298 CA LYS I 46 22.328 34.434 58.012 1.00 18.10 C +ATOM 299 C LYS I 46 21.781 35.545 57.107 1.00 15.21 C +ATOM 300 O LYS I 46 22.542 36.355 56.574 1.00 13.43 O +ATOM 301 CB LYS I 46 23.249 34.996 59.129 1.00 17.97 C +ATOM 302 CG LYS I 46 22.391 35.206 60.396 1.00 31.45 C +ATOM 303 CD LYS I 46 22.799 36.423 61.253 1.00 32.14 C +ATOM 304 CE LYS I 46 21.793 36.661 62.394 0.00 0.00 C +ATOM 305 NZ LYS I 46 21.633 35.437 63.189 0.00 0.00 N +ATOM 306 N ALA I 47 20.467 35.673 57.156 1.00 7.66 N +ATOM 307 CA ALA I 47 19.786 36.813 56.512 1.00 6.46 C +ATOM 308 C ALA I 47 20.380 38.123 57.003 1.00 11.43 C +ATOM 309 O ALA I 47 20.524 38.361 58.194 1.00 11.29 O +ATOM 310 CB ALA I 47 18.263 36.817 56.778 1.00 6.00 C +ATOM 311 N VAL I 48 20.758 38.939 56.076 1.00 11.24 N +ATOM 312 CA VAL I 48 21.273 40.270 56.369 1.00 6.00 C +ATOM 313 C VAL I 48 20.278 41.345 55.869 1.00 12.30 C +ATOM 314 O VAL I 48 19.777 42.209 56.589 1.00 10.38 O +ATOM 315 CB VAL I 48 22.614 40.280 55.607 1.00 7.14 C +ATOM 316 CG1 VAL I 48 23.287 41.636 55.584 1.00 19.92 C +ATOM 317 CG2 VAL I 48 23.598 39.238 56.147 1.00 14.18 C +ATOM 318 N SER I 49 19.856 41.251 54.645 1.00 14.67 N +ATOM 319 CA SER I 49 18.960 42.282 54.111 1.00 11.28 C +ATOM 320 C SER I 49 17.798 41.691 53.317 1.00 15.03 C +ATOM 321 O SER I 49 17.849 40.508 52.953 1.00 11.65 O +ATOM 322 CB SER I 49 19.799 43.064 53.136 1.00 6.00 C +ATOM 323 OG SER I 49 20.086 44.136 53.935 1.00 28.05 O +ATOM 324 N PHE I 50 16.852 42.583 53.008 1.00 11.37 N +ATOM 325 CA PHE I 50 15.727 42.276 52.116 1.00 13.19 C +ATOM 326 C PHE I 50 15.089 43.443 51.375 1.00 14.19 C +ATOM 327 O PHE I 50 15.015 44.538 51.912 1.00 9.02 O +ATOM 328 CB PHE I 50 14.653 41.284 52.627 1.00 9.91 C +ATOM 329 CG PHE I 50 13.605 41.978 53.500 1.00 20.00 C +ATOM 330 CD1 PHE I 50 13.935 42.367 54.783 1.00 21.19 C +ATOM 331 CD2 PHE I 50 12.341 42.193 53.005 1.00 16.24 C +ATOM 332 CE1 PHE I 50 12.991 42.949 55.583 1.00 18.32 C +ATOM 333 CE2 PHE I 50 11.398 42.792 53.791 1.00 18.52 C +ATOM 334 CZ PHE I 50 11.723 43.158 55.083 1.00 21.78 C +ATOM 335 N LYS I 51 14.414 43.027 50.292 1.00 17.75 N +ATOM 336 CA LYS I 51 13.404 43.758 49.522 1.00 9.32 C +ATOM 337 C LYS I 51 12.211 42.865 49.270 1.00 6.00 C +ATOM 338 O LYS I 51 12.282 41.642 49.145 1.00 7.17 O +ATOM 339 CB LYS I 51 13.893 44.220 48.154 1.00 6.00 C +ATOM 340 CG LYS I 51 15.087 45.149 48.225 1.00 6.00 C +ATOM 341 CD LYS I 51 15.398 45.611 46.818 1.00 6.96 C +ATOM 342 CE LYS I 51 16.176 46.945 46.863 1.00 13.81 C +ATOM 343 NZ LYS I 51 16.204 47.554 45.539 1.00 17.19 N +ATOM 344 N SER I 52 11.148 43.543 49.140 1.00 7.26 N +ATOM 345 CA SER I 52 9.929 42.869 48.759 1.00 8.80 C +ATOM 346 C SER I 52 9.419 43.425 47.437 1.00 11.20 C +ATOM 347 O SER I 52 9.452 44.636 47.262 1.00 8.71 O +ATOM 348 CB SER I 52 8.880 43.200 49.815 1.00 7.27 C +ATOM 349 OG SER I 52 8.865 42.039 50.580 1.00 25.01 O +ATOM 350 N GLN I 53 8.655 42.594 46.740 1.00 12.88 N +ATOM 351 CA GLN I 53 7.744 43.137 45.736 1.00 12.76 C +ATOM 352 C GLN I 53 6.459 42.336 45.753 1.00 9.88 C +ATOM 353 O GLN I 53 6.506 41.120 45.960 1.00 10.13 O +ATOM 354 CB GLN I 53 8.307 43.391 44.302 1.00 10.96 C +ATOM 355 CG GLN I 53 8.240 42.137 43.463 1.00 11.85 C +ATOM 356 CD GLN I 53 8.529 42.287 41.976 1.00 6.85 C +ATOM 357 OE1 GLN I 53 8.981 41.293 41.430 1.00 12.01 O +ATOM 358 NE2 GLN I 53 8.253 43.370 41.320 1.00 6.00 N +ATOM 359 N VAL I 54 5.397 43.090 45.591 1.00 20.73 N +ATOM 360 CA VAL I 54 4.022 42.612 45.564 1.00 21.56 C +ATOM 361 C VAL I 54 3.620 42.192 44.141 1.00 21.10 C +ATOM 362 O VAL I 54 3.581 43.019 43.234 1.00 21.37 O +ATOM 363 CB VAL I 54 3.153 43.794 46.073 1.00 21.83 C +ATOM 364 CG1 VAL I 54 1.645 43.557 46.058 1.00 19.99 C +ATOM 365 CG2 VAL I 54 3.594 44.309 47.449 1.00 18.62 C +ATOM 366 N VAL I 55 3.413 40.903 43.952 1.00 6.00 N +ATOM 367 CA VAL I 55 2.959 40.255 42.712 1.00 6.00 C +ATOM 368 C VAL I 55 1.637 39.589 43.053 1.00 7.44 C +ATOM 369 O VAL I 55 1.006 40.087 43.987 1.00 9.15 O +ATOM 370 CB VAL I 55 4.015 39.293 42.145 1.00 6.00 C +ATOM 371 CG1 VAL I 55 5.206 40.154 41.741 1.00 6.00 C +ATOM 372 CG2 VAL I 55 4.479 38.249 43.168 1.00 6.00 C +ATOM 373 N ALA I 56 1.286 38.459 42.421 1.00 8.02 N +ATOM 374 CA ALA I 56 0.141 37.679 42.892 1.00 6.00 C +ATOM 375 C ALA I 56 0.557 36.807 44.080 1.00 12.47 C +ATOM 376 O ALA I 56 0.371 35.606 44.047 1.00 12.08 O +ATOM 377 CB ALA I 56 -0.545 36.848 41.799 1.00 6.00 C +ATOM 378 N GLY I 57 1.181 37.421 45.071 1.00 10.74 N +ATOM 379 CA GLY I 57 1.963 36.772 46.132 1.00 6.00 C +ATOM 380 C GLY I 57 3.046 37.751 46.544 1.00 6.00 C +ATOM 381 O GLY I 57 2.825 38.949 46.422 1.00 7.30 O +ATOM 382 N THR I 58 4.159 37.274 47.024 1.00 6.00 N +ATOM 383 CA THR I 58 5.272 38.179 47.362 1.00 6.00 C +ATOM 384 C THR I 58 6.602 37.552 46.986 1.00 10.37 C +ATOM 385 O THR I 58 6.921 36.462 47.474 1.00 9.49 O +ATOM 386 CB THR I 58 5.339 38.531 48.869 1.00 6.00 C +ATOM 387 OG1 THR I 58 4.093 39.073 49.318 1.00 9.32 O +ATOM 388 CG2 THR I 58 6.412 39.572 49.238 1.00 6.00 C +ATOM 389 N ASN I 59 7.375 38.318 46.220 1.00 7.78 N +ATOM 390 CA ASN I 59 8.776 37.953 45.972 1.00 6.13 C +ATOM 391 C ASN I 59 9.622 38.566 47.078 1.00 6.00 C +ATOM 392 O ASN I 59 9.536 39.777 47.275 1.00 6.62 O +ATOM 393 CB ASN I 59 9.278 38.447 44.583 1.00 6.00 C +ATOM 394 CG ASN I 59 8.582 37.647 43.480 1.00 6.54 C +ATOM 395 OD1 ASN I 59 8.538 36.422 43.527 1.00 6.50 O +ATOM 396 ND2 ASN I 59 8.032 38.324 42.506 1.00 6.00 N +ATOM 397 N TYR I 60 10.467 37.768 47.692 1.00 6.00 N +ATOM 398 CA TYR I 60 11.452 38.339 48.599 1.00 6.00 C +ATOM 399 C TYR I 60 12.834 38.244 47.993 1.00 6.00 C +ATOM 400 O TYR I 60 13.257 37.147 47.640 1.00 7.44 O +ATOM 401 CB TYR I 60 11.518 37.522 49.878 1.00 6.00 C +ATOM 402 CG TYR I 60 10.259 37.762 50.686 1.00 6.68 C +ATOM 403 CD1 TYR I 60 10.120 38.926 51.423 1.00 6.17 C +ATOM 404 CD2 TYR I 60 9.251 36.826 50.614 1.00 9.01 C +ATOM 405 CE1 TYR I 60 8.953 39.132 52.141 1.00 8.12 C +ATOM 406 CE2 TYR I 60 8.088 37.015 51.331 1.00 9.88 C +ATOM 407 CZ TYR I 60 7.955 38.158 52.105 1.00 11.47 C +ATOM 408 OH TYR I 60 6.819 38.308 52.811 1.00 12.38 O +ATOM 409 N PHE I 61 13.565 39.316 48.066 1.00 6.00 N +ATOM 410 CA PHE I 61 14.957 39.321 47.560 1.00 8.95 C +ATOM 411 C PHE I 61 15.882 39.442 48.757 1.00 7.04 C +ATOM 412 O PHE I 61 15.735 40.404 49.497 1.00 6.00 O +ATOM 413 CB PHE I 61 15.190 40.533 46.614 1.00 6.00 C +ATOM 414 CG PHE I 61 14.356 40.402 45.318 1.00 6.75 C +ATOM 415 CD1 PHE I 61 14.822 39.609 44.288 1.00 8.52 C +ATOM 416 CD2 PHE I 61 13.142 41.056 45.168 1.00 7.94 C +ATOM 417 CE1 PHE I 61 14.065 39.466 43.123 1.00 6.82 C +ATOM 418 CE2 PHE I 61 12.378 40.899 43.998 1.00 6.00 C +ATOM 419 CZ PHE I 61 12.841 40.100 42.983 1.00 6.00 C +ATOM 420 N ILE I 62 16.589 38.382 49.078 1.00 7.06 N +ATOM 421 CA ILE I 62 17.241 38.295 50.395 1.00 6.00 C +ATOM 422 C ILE I 62 18.745 38.167 50.309 1.00 6.00 C +ATOM 423 O ILE I 62 19.212 37.288 49.615 1.00 7.19 O +ATOM 424 CB ILE I 62 16.648 37.140 51.213 1.00 6.00 C +ATOM 425 CG1 ILE I 62 15.104 37.231 51.227 1.00 6.00 C +ATOM 426 CG2 ILE I 62 17.225 37.169 52.628 1.00 6.00 C +ATOM 427 CD1 ILE I 62 14.470 36.074 51.982 1.00 6.00 C +ATOM 428 N LYS I 63 19.486 39.019 50.982 1.00 6.87 N +ATOM 429 CA LYS I 63 20.944 38.843 51.044 1.00 6.20 C +ATOM 430 C LYS I 63 21.281 38.040 52.308 1.00 10.62 C +ATOM 431 O LYS I 63 20.822 38.330 53.418 1.00 7.98 O +ATOM 432 CB LYS I 63 21.648 40.219 51.073 1.00 10.48 C +ATOM 433 CG LYS I 63 23.194 40.151 51.300 1.00 7.78 C +ATOM 434 CD LYS I 63 23.745 41.519 51.777 1.00 7.66 C +ATOM 435 CE LYS I 63 23.868 42.538 50.640 1.00 11.34 C +ATOM 436 NZ LYS I 63 25.041 42.202 49.789 1.00 7.04 N +ATOM 437 N VAL I 64 21.853 36.899 52.081 1.00 7.21 N +ATOM 438 CA VAL I 64 22.144 35.999 53.176 1.00 6.00 C +ATOM 439 C VAL I 64 23.662 35.864 53.351 1.00 10.66 C +ATOM 440 O VAL I 64 24.380 35.598 52.377 1.00 9.43 O +ATOM 441 CB VAL I 64 21.503 34.663 52.820 1.00 6.00 C +ATOM 442 CG1 VAL I 64 21.956 33.580 53.797 1.00 6.75 C +ATOM 443 CG2 VAL I 64 19.984 34.777 52.876 1.00 6.00 C +ATOM 444 N HIS I 65 24.166 36.123 54.566 1.00 15.00 N +ATOM 445 CA HIS I 65 25.624 35.963 54.855 1.00 16.28 C +ATOM 446 C HIS I 65 25.990 34.504 55.091 1.00 10.97 C +ATOM 447 O HIS I 65 25.219 33.803 55.741 1.00 14.66 O +ATOM 448 CB HIS I 65 26.092 36.776 56.080 1.00 17.41 C +ATOM 449 CG HIS I 65 27.581 36.461 56.355 1.00 34.12 C +ATOM 450 ND1 HIS I 65 27.959 35.756 57.496 1.00 32.76 N +ATOM 451 CD2 HIS I 65 28.677 36.685 55.591 1.00 32.71 C +ATOM 452 CE1 HIS I 65 29.353 35.560 57.413 1.00 33.80 C +ATOM 453 NE2 HIS I 65 29.801 36.136 56.210 1.00 30.82 N +ATOM 454 N VAL I 66 26.800 33.974 54.219 1.00 8.83 N +ATOM 455 CA VAL I 66 26.763 32.504 54.145 1.00 13.14 C +ATOM 456 C VAL I 66 28.106 31.893 54.593 1.00 15.83 C +ATOM 457 O VAL I 66 28.448 30.731 54.365 1.00 13.34 O +ATOM 458 CB VAL I 66 26.355 32.141 52.712 1.00 8.84 C +ATOM 459 CG1 VAL I 66 27.524 31.973 51.724 1.00 6.00 C +ATOM 460 CG2 VAL I 66 25.203 31.125 52.626 1.00 6.12 C +ATOM 461 N GLY I 67 28.991 32.785 54.809 1.00 16.04 N +ATOM 462 CA GLY I 67 30.293 32.335 54.442 1.00 18.30 C +ATOM 463 C GLY I 67 31.252 33.060 55.311 1.00 16.19 C +ATOM 464 O GLY I 67 31.436 32.539 56.398 1.00 22.62 O +ATOM 465 N ASP I 68 32.087 33.794 54.695 1.00 28.55 N +ATOM 466 CA ASP I 68 33.247 34.295 55.408 1.00 32.05 C +ATOM 467 C ASP I 68 33.148 35.783 55.217 1.00 32.12 C +ATOM 468 O ASP I 68 32.516 36.475 56.016 1.00 33.40 O +ATOM 469 CB ASP I 68 34.574 33.834 54.754 1.00 33.89 C +ATOM 470 CG ASP I 68 34.916 32.411 55.181 0.00 0.00 C +ATOM 471 OD1 ASP I 68 34.345 31.430 54.636 0.00 0.00 O +ATOM 472 OD2 ASP I 68 35.767 32.210 56.088 0.00 0.00 O +ATOM 473 N GLU I 92 33.460 36.145 54.005 1.00 32.61 N +ATOM 474 CA GLU I 92 33.037 37.477 53.592 1.00 35.27 C +ATOM 475 C GLU I 92 32.117 37.293 52.372 1.00 38.58 C +ATOM 476 O GLU I 92 32.068 38.124 51.466 1.00 35.73 O +ATOM 477 CB GLU I 92 34.306 38.306 53.291 1.00 34.40 C +ATOM 478 CG GLU I 92 34.086 39.829 53.374 0.00 0.00 C +ATOM 479 CD GLU I 92 33.940 40.231 54.838 0.00 0.00 C +ATOM 480 OE1 GLU I 92 34.520 39.567 55.740 0.00 0.00 O +ATOM 481 OE2 GLU I 92 33.245 41.232 55.157 0.00 0.00 O +ATOM 482 N ASP I 93 31.570 36.084 52.312 1.00 16.87 N +ATOM 483 CA ASP I 93 30.871 35.478 51.193 1.00 13.34 C +ATOM 484 C ASP I 93 29.356 35.373 51.459 1.00 16.21 C +ATOM 485 O ASP I 93 28.897 34.935 52.524 1.00 11.63 O +ATOM 486 CB ASP I 93 31.529 34.113 50.848 1.00 9.48 C +ATOM 487 CG ASP I 93 30.783 33.485 49.683 1.00 43.86 C +ATOM 488 OD1 ASP I 93 30.397 34.219 48.725 1.00 43.26 O +ATOM 489 OD2 ASP I 93 30.552 32.239 49.665 1.00 43.24 O +ATOM 490 N PHE I 94 28.627 35.920 50.458 1.00 10.28 N +ATOM 491 CA PHE I 94 27.162 36.102 50.458 1.00 6.88 C +ATOM 492 C PHE I 94 26.481 35.462 49.253 1.00 7.28 C +ATOM 493 O PHE I 94 27.085 35.293 48.193 1.00 11.04 O +ATOM 494 CB PHE I 94 26.891 37.598 50.394 1.00 6.36 C +ATOM 495 CG PHE I 94 27.296 38.319 51.696 1.00 21.70 C +ATOM 496 CD1 PHE I 94 28.623 38.629 51.946 1.00 19.45 C +ATOM 497 CD2 PHE I 94 26.314 38.747 52.567 1.00 20.53 C +ATOM 498 CE1 PHE I 94 28.981 39.376 53.062 1.00 18.37 C +ATOM 499 CE2 PHE I 94 26.654 39.512 53.678 1.00 21.02 C +ATOM 500 CZ PHE I 94 27.987 39.831 53.920 1.00 21.90 C +ATOM 501 N VAL I 95 25.219 35.230 49.398 1.00 6.00 N +ATOM 502 CA VAL I 95 24.390 34.756 48.305 1.00 6.00 C +ATOM 503 C VAL I 95 23.066 35.538 48.324 1.00 9.53 C +ATOM 504 O VAL I 95 22.552 35.795 49.408 1.00 8.89 O +ATOM 505 CB VAL I 95 24.176 33.270 48.668 1.00 6.00 C +ATOM 506 CG1 VAL I 95 22.744 32.764 48.650 1.00 16.91 C +ATOM 507 CG2 VAL I 95 25.128 32.320 47.918 1.00 19.19 C +ATOM 508 N HIS I 96 22.490 35.918 47.167 1.00 13.83 N +ATOM 509 CA HIS I 96 21.142 36.592 47.113 1.00 9.24 C +ATOM 510 C HIS I 96 20.055 35.612 46.654 1.00 13.56 C +ATOM 511 O HIS I 96 20.319 34.778 45.786 1.00 15.89 O +ATOM 512 CB HIS I 96 21.057 37.844 46.199 1.00 8.10 C +ATOM 513 CG HIS I 96 21.973 39.011 46.603 1.00 7.18 C +ATOM 514 ND1 HIS I 96 22.867 38.915 47.677 1.00 8.76 N +ATOM 515 CD2 HIS I 96 22.156 40.177 45.992 1.00 6.00 C +ATOM 516 CE1 HIS I 96 23.605 40.086 47.723 1.00 6.50 C +ATOM 517 NE2 HIS I 96 23.144 40.863 46.653 1.00 8.86 N +ATOM 518 N LEU I 97 18.900 35.664 47.296 1.00 6.00 N +ATOM 519 CA LEU I 97 17.843 34.676 47.128 1.00 6.00 C +ATOM 520 C LEU I 97 16.631 35.344 46.508 1.00 6.00 C +ATOM 521 O LEU I 97 16.234 36.414 46.960 1.00 6.00 O +ATOM 522 CB LEU I 97 17.435 34.250 48.538 1.00 6.00 C +ATOM 523 CG LEU I 97 18.107 33.005 49.122 1.00 6.00 C +ATOM 524 CD1 LEU I 97 19.594 32.962 48.919 1.00 6.00 C +ATOM 525 CD2 LEU I 97 17.804 32.929 50.621 1.00 6.00 C +ATOM 526 N ARG I 98 15.950 34.639 45.634 1.00 6.00 N +ATOM 527 CA ARG I 98 14.663 35.187 45.192 1.00 6.50 C +ATOM 528 C ARG I 98 13.597 34.200 45.595 1.00 10.89 C +ATOM 529 O ARG I 98 13.613 33.094 45.063 1.00 12.20 O +ATOM 530 CB ARG I 98 14.535 35.438 43.649 1.00 12.81 C +ATOM 531 CG ARG I 98 13.205 36.133 43.234 1.00 6.00 C +ATOM 532 CD ARG I 98 12.477 35.543 42.026 1.00 6.00 C +ATOM 533 NE ARG I 98 12.691 36.356 40.864 1.00 6.00 N +ATOM 534 CZ ARG I 98 11.691 36.735 40.050 1.00 6.00 C +ATOM 535 NH1 ARG I 98 10.436 36.400 40.239 1.00 6.00 N +ATOM 536 NH2 ARG I 98 11.992 37.545 39.040 1.00 6.00 N +ATOM 537 N VAL I 99 12.805 34.551 46.588 1.00 6.00 N +ATOM 538 CA VAL I 99 11.917 33.554 47.189 1.00 6.00 C +ATOM 539 C VAL I 99 10.465 33.904 46.918 1.00 6.00 C +ATOM 540 O VAL I 99 10.077 35.030 47.179 1.00 6.76 O +ATOM 541 CB VAL I 99 12.183 33.512 48.719 1.00 6.00 C +ATOM 542 CG1 VAL I 99 11.336 32.473 49.440 1.00 6.00 C +ATOM 543 CG2 VAL I 99 13.648 33.306 49.104 1.00 6.00 C +ATOM 544 N PHE I 100 9.687 32.969 46.412 1.00 6.00 N +ATOM 545 CA PHE I 100 8.254 33.218 46.172 1.00 6.00 C +ATOM 546 C PHE I 100 7.404 32.755 47.350 1.00 7.27 C +ATOM 547 O PHE I 100 7.389 31.557 47.628 1.00 8.33 O +ATOM 548 CB PHE I 100 7.712 32.456 44.934 1.00 6.00 C +ATOM 549 CG PHE I 100 6.316 33.001 44.559 1.00 9.20 C +ATOM 550 CD1 PHE I 100 6.056 34.351 44.645 1.00 10.16 C +ATOM 551 CD2 PHE I 100 5.312 32.160 44.167 1.00 11.28 C +ATOM 552 CE1 PHE I 100 4.793 34.855 44.348 1.00 9.97 C +ATOM 553 CE2 PHE I 100 4.045 32.657 43.852 1.00 11.76 C +ATOM 554 CZ PHE I 100 3.783 34.005 43.944 1.00 10.13 C +ATOM 555 N GLN I 101 6.620 33.685 47.867 1.00 6.00 N +ATOM 556 CA GLN I 101 5.556 33.414 48.812 1.00 6.00 C +ATOM 557 C GLN I 101 4.171 33.669 48.170 1.00 11.03 C +ATOM 558 O GLN I 101 3.845 34.754 47.666 1.00 8.12 O +ATOM 559 CB GLN I 101 5.792 34.332 50.006 1.00 6.00 C +ATOM 560 CG GLN I 101 4.575 34.330 50.944 1.00 16.63 C +ATOM 561 CD GLN I 101 4.851 35.182 52.183 1.00 23.27 C +ATOM 562 OE1 GLN I 101 5.380 34.678 53.174 1.00 22.97 O +ATOM 563 NE2 GLN I 101 4.497 36.449 52.143 1.00 22.77 N +ATOM 564 N SER I 102 3.344 32.632 48.150 1.00 12.90 N +ATOM 565 CA SER I 102 1.949 32.652 47.659 1.00 8.83 C +ATOM 566 C SER I 102 0.999 33.535 48.482 1.00 15.20 C +ATOM 567 O SER I 102 1.226 33.789 49.668 1.00 13.76 O +ATOM 568 CB SER I 102 1.397 31.228 47.732 1.00 11.66 C +ATOM 569 OG SER I 102 2.228 30.413 46.909 1.00 25.30 O +ATOM 570 N LEU I 102A -0.158 33.778 47.885 1.00 10.03 N +ATOM 571 CA LEU I 102A -1.293 34.383 48.586 1.00 6.09 C +ATOM 572 C LEU I 102A -1.742 33.349 49.598 1.00 8.39 C +ATOM 573 O LEU I 102A -1.586 32.139 49.366 1.00 9.31 O +ATOM 574 CB LEU I 102A -2.484 34.712 47.642 1.00 6.44 C +ATOM 575 CG LEU I 102A -2.135 35.892 46.707 1.00 11.00 C +ATOM 576 CD1 LEU I 102A -3.114 36.002 45.530 1.00 8.54 C +ATOM 577 CD2 LEU I 102A -1.996 37.222 47.472 1.00 8.27 C +ATOM 578 N PRO I 103 -2.070 33.920 50.740 1.00 24.08 N +ATOM 579 CA PRO I 103 -2.417 33.144 51.950 1.00 24.43 C +ATOM 580 C PRO I 103 -3.392 32.001 51.660 1.00 20.75 C +ATOM 581 O PRO I 103 -3.206 30.857 52.082 1.00 19.43 O +ATOM 582 CB PRO I 103 -3.072 34.212 52.827 1.00 24.59 C +ATOM 583 CG PRO I 103 -2.461 35.537 52.412 1.00 25.57 C +ATOM 584 CD PRO I 103 -2.176 35.389 50.935 1.00 27.17 C +ATOM 585 N HIS I 104 -4.377 32.347 50.884 1.00 10.06 N +ATOM 586 CA HIS I 104 -5.433 31.380 50.606 1.00 10.30 C +ATOM 587 C HIS I 104 -4.959 30.200 49.784 1.00 7.46 C +ATOM 588 O HIS I 104 -5.717 29.253 49.610 1.00 9.93 O +ATOM 589 CB HIS I 104 -6.587 32.069 49.883 1.00 13.18 C +ATOM 590 CG HIS I 104 -6.297 32.374 48.403 1.00 21.74 C +ATOM 591 ND1 HIS I 104 -6.618 31.408 47.459 1.00 20.08 N +ATOM 592 CD2 HIS I 104 -5.772 33.467 47.792 1.00 17.91 C +ATOM 593 CE1 HIS I 104 -6.269 31.929 46.196 1.00 24.16 C +ATOM 594 NE2 HIS I 104 -5.741 33.225 46.398 1.00 21.10 N +ATOM 595 N GLU I 105 -3.704 30.255 49.409 1.00 13.38 N +ATOM 596 CA GLU I 105 -3.187 29.206 48.548 1.00 14.50 C +ATOM 597 C GLU I 105 -2.362 28.148 49.213 1.00 16.60 C +ATOM 598 O GLU I 105 -2.391 27.024 48.701 1.00 17.61 O +ATOM 599 CB GLU I 105 -2.374 29.729 47.387 1.00 15.64 C +ATOM 600 CG GLU I 105 -3.343 29.743 46.215 1.00 41.21 C +ATOM 601 CD GLU I 105 -2.651 30.593 45.203 1.00 41.57 C +ATOM 602 OE1 GLU I 105 -2.265 31.730 45.567 1.00 40.94 O +ATOM 603 OE2 GLU I 105 -2.449 30.158 44.037 1.00 42.82 O +ATOM 604 N ASN I 105A -1.825 28.540 50.345 1.00 26.58 N +ATOM 605 CA ASN I 105A -1.214 27.566 51.241 1.00 30.38 C +ATOM 606 C ASN I 105A -0.203 26.705 50.492 1.00 27.94 C +ATOM 607 O ASN I 105A -0.239 25.475 50.544 1.00 27.33 O +ATOM 608 CB ASN I 105A -2.324 26.688 51.920 1.00 34.42 C +ATOM 609 CG ASN I 105A -1.774 25.945 53.150 1.00 42.36 C +ATOM 610 OD1 ASN I 105A -2.075 24.758 53.323 1.00 39.21 O +ATOM 611 ND2 ASN I 105A -0.973 26.679 53.953 1.00 39.94 N +ATOM 612 N LYS I 106 0.622 27.377 49.720 1.00 26.78 N +ATOM 613 CA LYS I 106 1.731 26.677 49.017 1.00 24.72 C +ATOM 614 C LYS I 106 2.994 27.039 49.766 1.00 24.82 C +ATOM 615 O LYS I 106 3.024 28.038 50.483 1.00 25.34 O +ATOM 616 CB LYS I 106 1.885 27.104 47.542 1.00 21.43 C +ATOM 617 CG LYS I 106 0.759 26.515 46.690 1.00 31.16 C +ATOM 618 CD LYS I 106 0.591 27.266 45.363 1.00 32.60 C +ATOM 619 CE LYS I 106 -0.648 26.755 44.585 1.00 35.17 C +ATOM 620 NZ LYS I 106 -0.919 27.637 43.442 0.00 0.00 N +ATOM 621 N PRO I 107 3.884 26.112 49.791 1.00 17.87 N +ATOM 622 CA PRO I 107 5.144 26.343 50.500 1.00 17.52 C +ATOM 623 C PRO I 107 6.040 27.360 49.782 1.00 21.56 C +ATOM 624 O PRO I 107 5.848 27.661 48.610 1.00 19.68 O +ATOM 625 CB PRO I 107 5.773 24.959 50.584 1.00 17.54 C +ATOM 626 CG PRO I 107 5.017 24.092 49.582 1.00 14.13 C +ATOM 627 CD PRO I 107 3.682 24.751 49.302 1.00 9.23 C +ATOM 628 N LEU I 108 6.973 27.918 50.510 1.00 27.89 N +ATOM 629 CA LEU I 108 7.892 28.928 49.974 1.00 25.17 C +ATOM 630 C LEU I 108 8.762 28.294 48.894 1.00 27.58 C +ATOM 631 O LEU I 108 9.230 27.164 49.073 1.00 26.93 O +ATOM 632 CB LEU I 108 8.793 29.379 51.143 1.00 23.30 C +ATOM 633 CG LEU I 108 8.491 30.828 51.497 1.00 15.43 C +ATOM 634 CD1 LEU I 108 7.000 31.159 51.431 1.00 14.44 C +ATOM 635 CD2 LEU I 108 9.137 31.204 52.829 1.00 20.89 C +ATOM 636 N THR I 109 8.996 29.024 47.818 1.00 8.87 N +ATOM 637 CA THR I 109 9.865 28.442 46.775 1.00 6.68 C +ATOM 638 C THR I 109 11.072 29.314 46.470 1.00 6.00 C +ATOM 639 O THR I 109 10.878 30.508 46.290 1.00 7.51 O +ATOM 640 CB THR I 109 9.012 28.416 45.514 1.00 7.85 C +ATOM 641 OG1 THR I 109 7.670 28.024 45.847 1.00 32.52 O +ATOM 642 CG2 THR I 109 9.631 27.477 44.473 1.00 34.72 C +ATOM 643 N LEU I 110 12.223 28.716 46.320 1.00 7.11 N +ATOM 644 CA LEU I 110 13.422 29.429 45.848 1.00 11.90 C +ATOM 645 C LEU I 110 13.350 29.537 44.313 1.00 13.68 C +ATOM 646 O LEU I 110 13.586 28.536 43.651 1.00 14.05 O +ATOM 647 CB LEU I 110 14.658 28.604 46.224 1.00 6.00 C +ATOM 648 CG LEU I 110 15.984 29.278 45.885 1.00 6.00 C +ATOM 649 CD1 LEU I 110 16.201 30.578 46.663 1.00 6.00 C +ATOM 650 CD2 LEU I 110 17.150 28.339 46.230 1.00 6.00 C +ATOM 651 N SER I 111 12.818 30.625 43.769 1.00 6.83 N +ATOM 652 CA SER I 111 12.636 30.756 42.329 1.00 6.00 C +ATOM 653 C SER I 111 14.000 30.875 41.680 1.00 9.22 C +ATOM 654 O SER I 111 14.202 30.279 40.641 1.00 12.29 O +ATOM 655 CB SER I 111 11.917 32.048 41.993 1.00 6.00 C +ATOM 656 OG SER I 111 10.719 32.124 42.761 1.00 10.39 O +ATOM 657 N ASN I 112 14.914 31.611 42.262 1.00 9.46 N +ATOM 658 CA ASN I 112 16.271 31.832 41.738 1.00 6.00 C +ATOM 659 C ASN I 112 17.258 32.219 42.867 1.00 8.04 C +ATOM 660 O ASN I 112 16.859 32.634 43.957 1.00 7.42 O +ATOM 661 CB ASN I 112 16.192 32.941 40.658 1.00 6.00 C +ATOM 662 CG ASN I 112 17.331 32.826 39.633 1.00 9.61 C +ATOM 663 OD1 ASN I 112 18.209 31.959 39.695 1.00 9.58 O +ATOM 664 ND2 ASN I 112 17.286 33.718 38.675 1.00 9.09 N +ATOM 665 N TYR I 113 18.554 32.143 42.577 1.00 9.76 N +ATOM 666 CA TYR I 113 19.640 32.633 43.451 1.00 7.84 C +ATOM 667 C TYR I 113 20.822 33.159 42.633 1.00 6.00 C +ATOM 668 O TYR I 113 21.062 32.728 41.504 1.00 6.00 O +ATOM 669 CB TYR I 113 20.140 31.576 44.474 1.00 6.00 C +ATOM 670 CG TYR I 113 20.568 30.228 43.829 1.00 6.47 C +ATOM 671 CD1 TYR I 113 19.586 29.334 43.406 1.00 6.47 C +ATOM 672 CD2 TYR I 113 21.905 29.896 43.711 1.00 6.00 C +ATOM 673 CE1 TYR I 113 19.922 28.137 42.812 1.00 6.00 C +ATOM 674 CE2 TYR I 113 22.248 28.704 43.119 1.00 6.00 C +ATOM 675 CZ TYR I 113 21.261 27.850 42.656 1.00 7.12 C +ATOM 676 OH TYR I 113 21.606 26.671 42.068 1.00 11.77 O +ATOM 677 N GLN I 114 21.572 33.989 43.330 1.00 7.08 N +ATOM 678 CA GLN I 114 22.860 34.554 42.906 1.00 6.07 C +ATOM 679 C GLN I 114 23.960 34.256 43.933 1.00 9.68 C +ATOM 680 O GLN I 114 23.754 34.267 45.154 1.00 6.30 O +ATOM 681 CB GLN I 114 22.790 36.074 42.692 1.00 6.00 C +ATOM 682 CG GLN I 114 21.708 36.539 41.696 1.00 9.74 C +ATOM 683 CD GLN I 114 21.771 38.068 41.596 1.00 13.64 C +ATOM 684 OE1 GLN I 114 21.900 38.780 42.596 1.00 12.49 O +ATOM 685 NE2 GLN I 114 21.667 38.557 40.385 1.00 12.44 N +ATOM 686 N THR I 115 25.089 33.859 43.376 1.00 11.96 N +ATOM 687 CA THR I 115 26.233 33.368 44.140 1.00 11.54 C +ATOM 688 C THR I 115 27.408 34.320 43.973 1.00 12.00 C +ATOM 689 O THR I 115 27.382 35.107 43.027 1.00 10.49 O +ATOM 690 CB THR I 115 26.589 31.990 43.573 1.00 6.21 C +ATOM 691 OG1 THR I 115 25.461 31.157 43.838 1.00 33.21 O +ATOM 692 CG2 THR I 115 27.698 31.334 44.371 1.00 37.76 C +ATOM 693 N ASN I 115A 28.373 34.182 44.878 1.00 10.65 N +ATOM 694 CA ASN I 115A 29.655 34.849 44.844 1.00 9.82 C +ATOM 695 C ASN I 115A 29.420 36.337 44.942 1.00 10.60 C +ATOM 696 O ASN I 115A 29.811 37.112 44.066 1.00 14.65 O +ATOM 697 CB ASN I 115A 30.437 34.486 43.560 1.00 15.90 C +ATOM 698 CG ASN I 115A 30.642 32.972 43.461 1.00 24.95 C +ATOM 699 OD1 ASN I 115A 30.696 32.304 44.499 1.00 22.44 O +ATOM 700 ND2 ASN I 115A 30.738 32.496 42.221 1.00 21.36 N +ATOM 701 N LYS I 116 28.563 36.637 45.853 1.00 6.31 N +ATOM 702 CA LYS I 116 28.069 38.010 45.987 1.00 7.31 C +ATOM 703 C LYS I 116 28.769 38.684 47.184 1.00 10.80 C +ATOM 704 O LYS I 116 29.316 38.014 48.062 1.00 11.01 O +ATOM 705 CB LYS I 116 26.553 37.828 46.217 1.00 6.94 C +ATOM 706 CG LYS I 116 25.764 38.881 45.483 1.00 16.62 C +ATOM 707 CD LYS I 116 25.891 38.799 43.962 1.00 15.54 C +ATOM 708 CE LYS I 116 25.194 40.044 43.369 1.00 20.69 C +ATOM 709 NZ LYS I 116 25.055 39.934 41.924 1.00 18.85 N +ATOM 710 N ALA I 117 28.817 39.984 47.233 1.00 12.39 N +ATOM 711 CA ALA I 117 29.575 40.678 48.289 1.00 9.30 C +ATOM 712 C ALA I 117 28.666 41.389 49.274 1.00 13.36 C +ATOM 713 O ALA I 117 27.485 41.548 48.993 1.00 13.70 O +ATOM 714 CB ALA I 117 30.482 41.733 47.662 1.00 11.94 C +ATOM 715 N LYS I 118 29.232 41.679 50.434 1.00 20.80 N +ATOM 716 CA LYS I 118 28.536 42.359 51.540 1.00 20.08 C +ATOM 717 C LYS I 118 27.855 43.597 50.985 1.00 18.48 C +ATOM 718 O LYS I 118 26.748 43.914 51.430 1.00 17.78 O +ATOM 719 CB LYS I 118 29.634 42.823 52.544 1.00 21.05 C +ATOM 720 CG LYS I 118 29.155 43.173 53.986 1.00 37.26 C +ATOM 721 CD LYS I 118 28.388 44.502 54.121 0.00 0.00 C +ATOM 722 CE LYS I 118 27.949 44.777 55.570 0.00 0.00 C +ATOM 723 NZ LYS I 118 27.252 46.067 55.644 0.00 0.00 N +ATOM 724 N HIS I 119 28.623 44.257 50.101 1.00 35.91 N +ATOM 725 CA HIS I 119 28.294 45.586 49.550 1.00 38.90 C +ATOM 726 C HIS I 119 27.678 45.556 48.165 1.00 38.83 C +ATOM 727 O HIS I 119 27.462 46.634 47.614 1.00 37.12 O +ATOM 728 CB HIS I 119 29.555 46.460 49.423 1.00 39.96 C +ATOM 729 CG HIS I 119 29.987 46.931 50.835 1.00 62.15 C +ATOM 730 ND1 HIS I 119 31.363 47.098 51.187 1.00 58.64 N +ATOM 731 CD2 HIS I 119 29.202 47.195 51.923 1.00 57.52 C +ATOM 732 CE1 HIS I 119 31.382 47.458 52.554 1.00 60.13 C +ATOM 733 NE2 HIS I 119 30.033 47.514 53.009 1.00 56.59 N +ATOM 734 N ASP I 120 27.430 44.364 47.650 1.00 22.29 N +ATOM 735 CA ASP I 120 26.669 44.278 46.413 1.00 18.16 C +ATOM 736 C ASP I 120 25.229 44.573 46.789 1.00 24.31 C +ATOM 737 O ASP I 120 24.795 44.069 47.826 1.00 23.04 O +ATOM 738 CB ASP I 120 26.746 42.872 45.803 1.00 17.95 C +ATOM 739 CG ASP I 120 28.145 42.669 45.245 1.00 34.71 C +ATOM 740 OD1 ASP I 120 28.953 43.632 45.190 1.00 36.52 O +ATOM 741 OD2 ASP I 120 28.506 41.537 44.828 1.00 36.31 O +ATOM 742 N GLU I 121 24.578 45.389 45.945 1.00 30.75 N +ATOM 743 CA GLU I 121 23.181 45.815 46.093 1.00 29.08 C +ATOM 744 C GLU I 121 22.254 44.653 45.752 1.00 28.66 C +ATOM 745 O GLU I 121 22.515 43.913 44.786 1.00 28.51 O +ATOM 746 CB GLU I 121 22.838 47.042 45.197 1.00 28.34 C +ATOM 747 CG GLU I 121 23.621 48.318 45.562 0.00 0.00 C +ATOM 748 CD GLU I 121 25.070 48.190 45.106 0.00 0.00 C +ATOM 749 OE1 GLU I 121 25.361 47.503 44.091 0.00 0.00 O +ATOM 750 OE2 GLU I 121 25.987 48.775 45.741 0.00 0.00 O +ATOM 751 N LEU I 122 21.207 44.580 46.563 1.00 18.33 N +ATOM 752 CA LEU I 122 20.160 43.605 46.295 1.00 18.98 C +ATOM 753 C LEU I 122 19.382 44.109 45.090 1.00 23.52 C +ATOM 754 O LEU I 122 18.629 45.062 45.210 1.00 27.07 O +ATOM 755 CB LEU I 122 19.155 43.597 47.455 1.00 19.25 C +ATOM 756 CG LEU I 122 19.312 42.444 48.420 1.00 6.00 C +ATOM 757 CD1 LEU I 122 18.328 42.618 49.582 1.00 6.00 C +ATOM 758 CD2 LEU I 122 19.179 41.096 47.697 1.00 6.00 C +ATOM 759 N THR I 123 19.558 43.583 43.939 1.00 13.48 N +ATOM 760 CA THR I 123 18.764 44.159 42.851 1.00 12.76 C +ATOM 761 C THR I 123 17.777 43.111 42.370 1.00 14.53 C +ATOM 762 O THR I 123 17.824 41.984 42.838 1.00 14.28 O +ATOM 763 CB THR I 123 19.698 44.536 41.690 1.00 16.80 C +ATOM 764 OG1 THR I 123 20.501 43.378 41.334 1.00 21.47 O +ATOM 765 CG2 THR I 123 20.609 45.705 42.045 1.00 15.96 C +ATOM 766 N TYR I 124 16.916 43.496 41.473 1.00 19.37 N +ATOM 767 CA TYR I 124 15.924 42.584 40.878 1.00 15.50 C +ATOM 768 C TYR I 124 16.626 41.646 39.878 1.00 16.45 C +ATOM 769 O TYR I 124 17.554 42.049 39.176 1.00 14.31 O +ATOM 770 CB TYR I 124 14.805 43.417 40.207 1.00 12.02 C +ATOM 771 CG TYR I 124 13.723 42.532 39.559 1.00 6.55 C +ATOM 772 CD1 TYR I 124 13.912 42.011 38.303 1.00 6.00 C +ATOM 773 CD2 TYR I 124 12.567 42.243 40.245 1.00 8.16 C +ATOM 774 CE1 TYR I 124 12.983 41.132 37.758 1.00 6.00 C +ATOM 775 CE2 TYR I 124 11.619 41.379 39.700 1.00 6.00 C +ATOM 776 CZ TYR I 124 11.852 40.796 38.467 1.00 6.07 C +ATOM 777 OH TYR I 124 10.957 39.928 37.924 1.00 7.27 O +ATOM 778 N PHE I 125 16.214 40.379 39.896 1.00 9.03 N +ATOM 779 CA PHE I 125 16.659 39.304 38.981 1.00 7.09 C +ATOM 780 C PHE I 125 15.594 38.225 38.907 1.00 6.87 C +ATOM 781 O PHE I 125 14.653 38.165 39.701 1.00 7.09 O +ATOM 782 CB PHE I 125 18.032 38.634 39.304 1.00 6.77 C +ATOM 783 CG PHE I 125 18.051 37.855 40.648 1.00 10.42 C +ATOM 784 CD1 PHE I 125 18.136 38.561 41.841 1.00 7.01 C +ATOM 785 CD2 PHE I 125 17.947 36.482 40.678 1.00 6.00 C +ATOM 786 CE1 PHE I 125 18.109 37.902 43.050 1.00 6.00 C +ATOM 787 CE2 PHE I 125 17.934 35.820 41.896 1.00 6.05 C +ATOM 788 CZ PHE I 125 18.016 36.525 43.083 1.00 6.00 C +ATOM 789 OXT PHE I 125 15.690 37.377 37.990 1.00 6.73 O +TER 790 PHE I 125 +END diff --git a/bench/main_benchmark/structures/SFB_OL_STEFINB_1STFI_2OCTA/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_STEFINB_1STFI_2OCTA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..6fcd7b5f71824ef6b413c73f9f447526320abdd2 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_STEFINB_1STFI_2OCTA/state_b.pdb @@ -0,0 +1,787 @@ +ATOM 1 N MET A 2 -4.265 -6.370 22.283 1.00 78.06 N +ATOM 2 CA MET A 2 -3.075 -5.779 21.674 1.00 81.80 C +ATOM 3 C MET A 2 -2.130 -5.828 22.760 1.00 80.98 C +ATOM 4 O MET A 2 -1.343 -4.898 22.932 1.00 84.09 O +ATOM 5 CB MET A 2 -3.253 -4.279 21.437 1.00 84.31 C +ATOM 6 CG MET A 2 -2.751 -3.407 22.580 1.00 82.67 C +ATOM 7 SD MET A 2 -3.391 -1.724 22.456 1.00 47.84 S +ATOM 8 CE MET A 2 -3.704 -1.386 24.198 1.00 89.30 C +ATOM 9 N SER A 3 -2.052 -6.849 23.606 1.00 83.90 N +ATOM 10 CA SER A 3 -1.160 -7.022 24.736 1.00 79.01 C +ATOM 11 C SER A 3 -0.168 -5.917 25.063 1.00 71.98 C +ATOM 12 O SER A 3 -0.017 -4.947 24.325 1.00 65.88 O +ATOM 13 CB SER A 3 -0.547 -8.380 24.359 0.00 78.28 C +ATOM 14 OG SER A 3 -0.208 -9.116 25.522 0.00 78.42 O +ATOM 15 N GLY A 4 0.537 -6.057 26.182 1.00 70.40 N +ATOM 16 CA GLY A 4 1.616 -5.117 26.513 1.00 61.73 C +ATOM 17 C GLY A 4 2.844 -6.015 26.416 1.00 52.55 C +ATOM 18 O GLY A 4 3.998 -5.638 26.587 1.00 52.54 O +ATOM 19 N ALA A 5 2.523 -7.280 26.116 1.00 51.32 N +ATOM 20 CA ALA A 5 3.604 -8.248 25.927 1.00 45.64 C +ATOM 21 C ALA A 5 4.406 -7.844 24.704 1.00 42.75 C +ATOM 22 O ALA A 5 3.833 -7.399 23.714 1.00 38.12 O +ATOM 23 CB ALA A 5 3.043 -9.653 25.805 1.00 49.75 C +ATOM 24 N PRO A 6 5.718 -7.969 24.728 1.00 39.87 N +ATOM 25 CA PRO A 6 6.475 -7.674 23.505 1.00 37.82 C +ATOM 26 C PRO A 6 6.082 -8.656 22.408 1.00 38.86 C +ATOM 27 O PRO A 6 5.906 -9.852 22.628 1.00 40.24 O +ATOM 28 CB PRO A 6 7.929 -7.881 23.909 1.00 41.99 C +ATOM 29 CG PRO A 6 7.975 -7.968 25.394 1.00 42.73 C +ATOM 30 CD PRO A 6 6.596 -8.366 25.841 1.00 44.11 C +ATOM 31 N SER A 7 5.937 -8.155 21.185 0.58 36.72 N +ATOM 32 CA SER A 7 5.610 -9.023 20.069 0.58 35.61 C +ATOM 33 C SER A 7 6.690 -10.085 19.881 0.58 38.33 C +ATOM 34 O SER A 7 7.741 -10.044 20.517 0.58 36.26 O +ATOM 35 CB SER A 7 5.478 -8.212 18.776 0.58 32.68 C +ATOM 36 OG SER A 7 6.767 -7.871 18.290 0.58 25.01 O +ATOM 37 N ALA A 8 6.402 -11.018 18.983 1.00 41.01 N +ATOM 38 CA ALA A 8 7.431 -11.949 18.519 1.00 40.24 C +ATOM 39 C ALA A 8 8.415 -11.171 17.664 1.00 38.58 C +ATOM 40 O ALA A 8 8.146 -10.033 17.259 1.00 35.67 O +ATOM 41 CB ALA A 8 6.785 -13.089 17.749 1.00 51.90 C +ATOM 42 N THR A 9 9.578 -11.705 17.345 1.00 35.76 N +ATOM 43 CA THR A 9 10.499 -10.941 16.508 1.00 34.70 C +ATOM 44 C THR A 9 10.009 -10.857 15.069 1.00 32.70 C +ATOM 45 O THR A 9 9.629 -11.844 14.443 1.00 40.09 O +ATOM 46 CB THR A 9 11.898 -11.589 16.593 1.00 37.63 C +ATOM 47 OG1 THR A 9 12.285 -11.574 17.977 1.00 43.88 O +ATOM 48 CG2 THR A 9 12.913 -10.790 15.782 1.00 36.55 C +ATOM 49 N GLN A 10 10.016 -9.670 14.511 1.00 30.25 N +ATOM 50 CA GLN A 10 9.492 -9.340 13.204 1.00 30.31 C +ATOM 51 C GLN A 10 10.667 -8.894 12.342 1.00 27.99 C +ATOM 52 O GLN A 10 11.558 -8.185 12.811 1.00 25.17 O +ATOM 53 CB GLN A 10 8.464 -8.212 13.319 1.00 28.93 C +ATOM 54 CG GLN A 10 7.239 -8.507 14.177 1.00 30.48 C +ATOM 55 CD GLN A 10 6.150 -7.465 14.243 1.00 33.74 C +ATOM 56 OE1 GLN A 10 5.499 -7.178 13.235 1.00 44.42 O +ATOM 57 NE2 GLN A 10 5.829 -6.838 15.382 1.00 36.52 N +ATOM 58 N PRO A 11 10.755 -9.220 11.076 1.00 30.55 N +ATOM 59 CA PRO A 11 11.843 -8.668 10.245 1.00 28.33 C +ATOM 60 C PRO A 11 11.651 -7.169 10.030 1.00 25.46 C +ATOM 61 O PRO A 11 10.530 -6.642 9.959 1.00 27.78 O +ATOM 62 CB PRO A 11 11.728 -9.422 8.918 1.00 30.36 C +ATOM 63 CG PRO A 11 10.316 -9.880 8.879 1.00 34.59 C +ATOM 64 CD PRO A 11 9.885 -10.118 10.312 1.00 35.52 C +ATOM 65 N ALA A 12 12.768 -6.469 9.936 1.00 23.71 N +ATOM 66 CA ALA A 12 12.738 -5.048 9.682 1.00 25.35 C +ATOM 67 C ALA A 12 11.993 -4.684 8.384 1.00 25.37 C +ATOM 68 O ALA A 12 12.109 -5.380 7.369 1.00 27.84 O +ATOM 69 CB ALA A 12 14.147 -4.436 9.582 1.00 25.02 C +ATOM 70 N THR A 13 11.276 -3.572 8.466 1.00 22.91 N +ATOM 71 CA THR A 13 10.618 -2.950 7.325 1.00 24.33 C +ATOM 72 C THR A 13 11.275 -1.599 7.059 1.00 23.64 C +ATOM 73 O THR A 13 12.125 -1.171 7.845 1.00 24.12 O +ATOM 74 CB THR A 13 9.123 -2.665 7.550 1.00 26.15 C +ATOM 75 OG1 THR A 13 9.033 -1.754 8.661 1.00 24.50 O +ATOM 76 CG2 THR A 13 8.332 -3.918 7.876 1.00 27.14 C +ATOM 77 N ALA A 14 10.891 -0.926 5.979 1.00 25.69 N +ATOM 78 CA ALA A 14 11.343 0.453 5.801 1.00 27.90 C +ATOM 79 C ALA A 14 11.028 1.334 7.003 1.00 26.78 C +ATOM 80 O ALA A 14 11.793 2.229 7.365 1.00 29.07 O +ATOM 81 CB ALA A 14 10.725 1.064 4.548 1.00 34.34 C +ATOM 82 N GLU A 15 9.896 1.160 7.688 1.00 27.54 N +ATOM 83 CA GLU A 15 9.624 1.969 8.864 1.00 28.35 C +ATOM 84 C GLU A 15 10.629 1.643 9.960 1.00 26.56 C +ATOM 85 O GLU A 15 11.066 2.576 10.643 1.00 26.65 O +ATOM 86 CB GLU A 15 8.208 1.780 9.433 1.00 32.87 C +ATOM 87 CG GLU A 15 7.366 3.035 9.221 1.00 48.06 C +ATOM 88 CD GLU A 15 8.063 4.341 9.549 1.00 56.95 C +ATOM 89 OE1 GLU A 15 8.420 5.092 8.607 1.00 63.86 O +ATOM 90 OE2 GLU A 15 8.256 4.658 10.754 1.00 63.47 O +ATOM 91 N THR A 16 11.015 0.382 10.108 1.00 21.92 N +ATOM 92 CA THR A 16 12.051 0.111 11.126 1.00 19.75 C +ATOM 93 C THR A 16 13.340 0.838 10.775 1.00 17.40 C +ATOM 94 O THR A 16 14.072 1.377 11.613 1.00 19.05 O +ATOM 95 CB THR A 16 12.351 -1.407 11.195 1.00 18.24 C +ATOM 96 OG1 THR A 16 11.135 -2.126 11.056 1.00 20.97 O +ATOM 97 CG2 THR A 16 12.973 -1.803 12.515 1.00 20.81 C +ATOM 98 N GLN A 17 13.691 0.816 9.494 1.00 18.01 N +ATOM 99 CA GLN A 17 14.885 1.537 9.064 1.00 19.53 C +ATOM 100 C GLN A 17 14.774 3.047 9.252 1.00 19.03 C +ATOM 101 O GLN A 17 15.779 3.716 9.637 1.00 21.06 O +ATOM 102 CB GLN A 17 15.208 1.222 7.585 1.00 19.95 C +ATOM 103 CG GLN A 17 16.512 1.949 7.197 1.00 20.95 C +ATOM 104 CD GLN A 17 17.707 1.313 7.914 1.00 20.99 C +ATOM 105 OE1 GLN A 17 17.802 0.075 8.023 1.00 21.62 O +ATOM 106 NE2 GLN A 17 18.611 2.167 8.372 1.00 20.26 N +ATOM 107 N HIS A 18 13.618 3.610 8.950 1.00 21.00 N +ATOM 108 CA HIS A 18 13.418 5.054 9.205 1.00 25.13 C +ATOM 109 C HIS A 18 13.655 5.335 10.681 1.00 23.50 C +ATOM 110 O HIS A 18 14.272 6.302 11.130 1.00 26.79 O +ATOM 111 CB HIS A 18 12.028 5.435 8.675 1.00 26.93 C +ATOM 112 CG HIS A 18 11.820 5.247 7.184 1.00 34.87 C +ATOM 113 ND1 HIS A 18 12.771 4.882 6.238 1.00 32.82 N +ATOM 114 CD2 HIS A 18 10.665 5.396 6.490 1.00 40.55 C +ATOM 115 CE1 HIS A 18 12.189 4.831 5.044 1.00 41.30 C +ATOM 116 NE2 HIS A 18 10.911 5.135 5.159 1.00 42.69 N +ATOM 117 N ILE A 19 13.217 4.460 11.605 1.00 24.23 N +ATOM 118 CA ILE A 19 13.517 4.701 13.028 1.00 23.32 C +ATOM 119 C ILE A 19 15.011 4.657 13.311 1.00 24.17 C +ATOM 120 O ILE A 19 15.585 5.546 13.975 1.00 25.95 O +ATOM 121 CB ILE A 19 12.776 3.666 13.884 1.00 26.25 C +ATOM 122 CG1 ILE A 19 11.249 3.817 13.838 1.00 28.53 C +ATOM 123 CG2 ILE A 19 13.241 3.697 15.330 1.00 32.87 C +ATOM 124 CD1 ILE A 19 10.510 2.692 14.537 1.00 34.91 C +ATOM 125 N ALA A 20 15.668 3.626 12.801 1.00 21.60 N +ATOM 126 CA ALA A 20 17.133 3.571 12.974 1.00 20.84 C +ATOM 127 C ALA A 20 17.832 4.814 12.421 1.00 21.42 C +ATOM 128 O ALA A 20 18.744 5.390 13.057 1.00 23.47 O +ATOM 129 CB ALA A 20 17.769 2.354 12.317 1.00 19.35 C +ATOM 130 N ASP A 21 17.443 5.259 11.231 1.00 21.24 N +ATOM 131 CA ASP A 21 18.081 6.458 10.657 1.00 21.80 C +ATOM 132 C ASP A 21 17.892 7.636 11.600 1.00 23.13 C +ATOM 133 O ASP A 21 18.793 8.484 11.723 1.00 25.81 O +ATOM 134 CB ASP A 21 17.474 6.799 9.302 1.00 21.11 C +ATOM 135 CG ASP A 21 17.663 5.799 8.194 1.00 21.05 C +ATOM 136 OD1 ASP A 21 18.614 4.995 8.217 1.00 22.19 O +ATOM 137 OD2 ASP A 21 16.831 5.820 7.223 1.00 21.41 O +ATOM 138 N GLN A 22 16.701 7.729 12.215 1.00 24.32 N +ATOM 139 CA GLN A 22 16.405 8.962 12.948 1.00 26.61 C +ATOM 140 C GLN A 22 17.198 8.984 14.235 1.00 26.39 C +ATOM 141 O GLN A 22 17.473 10.047 14.825 1.00 35.21 O +ATOM 142 CB GLN A 22 14.885 9.103 13.190 1.00 28.58 C +ATOM 143 CG GLN A 22 14.256 10.424 12.858 1.00 43.00 C +ATOM 144 CD GLN A 22 12.779 10.487 13.175 1.00 47.71 C +ATOM 145 OE1 GLN A 22 11.936 10.097 12.356 1.00 61.87 O +ATOM 146 NE2 GLN A 22 12.402 10.967 14.353 1.00 52.15 N +ATOM 147 N VAL A 23 17.620 7.809 14.744 1.00 28.71 N +ATOM 148 CA VAL A 23 18.264 7.925 16.058 1.00 30.63 C +ATOM 149 C VAL A 23 19.769 7.730 16.006 1.00 30.62 C +ATOM 150 O VAL A 23 20.493 7.859 17.011 1.00 34.60 O +ATOM 151 CB VAL A 23 17.622 6.936 17.055 1.00 31.23 C +ATOM 152 CG1 VAL A 23 16.153 7.283 17.233 1.00 32.03 C +ATOM 153 CG2 VAL A 23 17.830 5.490 16.621 1.00 29.75 C +ATOM 154 N ARG A 24 20.261 7.421 14.832 1.00 28.68 N +ATOM 155 CA ARG A 24 21.634 7.037 14.579 1.00 28.39 C +ATOM 156 C ARG A 24 22.630 8.076 15.073 1.00 33.01 C +ATOM 157 O ARG A 24 23.616 7.668 15.697 1.00 32.20 O +ATOM 158 CB ARG A 24 21.796 6.815 13.069 1.00 25.76 C +ATOM 159 CG ARG A 24 23.170 6.275 12.672 1.00 28.04 C +ATOM 160 CD ARG A 24 23.345 6.435 11.159 1.00 31.68 C +ATOM 161 NE ARG A 24 24.740 6.091 10.822 1.00 34.09 N +ATOM 162 CZ ARG A 24 25.075 5.759 9.554 1.00 36.82 C +ATOM 163 NH1 ARG A 24 24.121 5.746 8.634 1.00 36.31 N +ATOM 164 NH2 ARG A 24 26.327 5.443 9.243 1.00 36.40 N +ATOM 165 N SER A 25 22.425 9.358 14.787 1.00 33.77 N +ATOM 166 CA SER A 25 23.452 10.351 15.116 1.00 30.63 C +ATOM 167 C SER A 25 23.651 10.499 16.618 1.00 34.17 C +ATOM 168 O SER A 25 24.727 10.750 17.174 1.00 40.69 O +ATOM 169 CB SER A 25 23.096 11.710 14.526 1.00 35.37 C +ATOM 170 OG SER A 25 23.374 11.782 13.123 1.00 48.33 O +ATOM 171 N GLN A 26 22.511 10.381 17.308 1.00 39.44 N +ATOM 172 CA GLN A 26 22.590 10.446 18.764 1.00 38.73 C +ATOM 173 C GLN A 26 23.473 9.320 19.280 1.00 41.68 C +ATOM 174 O GLN A 26 24.348 9.498 20.129 1.00 51.01 O +ATOM 175 CB GLN A 26 21.173 10.351 19.337 1.00 39.56 C +ATOM 176 CG GLN A 26 21.052 10.839 20.759 1.00 44.36 C +ATOM 177 CD GLN A 26 19.666 10.465 21.310 1.00 47.12 C +ATOM 178 OE1 GLN A 26 19.478 10.226 22.504 1.00 59.72 O +ATOM 179 NE2 GLN A 26 18.708 10.418 20.384 1.00 43.28 N +ATOM 180 N LEU A 27 23.288 8.110 18.770 1.00 44.87 N +ATOM 181 CA LEU A 27 24.067 6.976 19.251 1.00 44.26 C +ATOM 182 C LEU A 27 25.548 7.096 18.897 1.00 47.52 C +ATOM 183 O LEU A 27 26.375 6.772 19.765 1.00 50.32 O +ATOM 184 CB LEU A 27 23.521 5.659 18.692 1.00 41.58 C +ATOM 185 CG LEU A 27 24.157 4.395 19.292 1.00 40.94 C +ATOM 186 CD1 LEU A 27 24.068 4.402 20.810 1.00 34.62 C +ATOM 187 CD2 LEU A 27 23.488 3.155 18.718 1.00 34.47 C +ATOM 188 N GLU A 28 25.812 7.538 17.677 1.00 45.70 N +ATOM 189 CA GLU A 28 27.147 7.771 17.146 1.00 43.56 C +ATOM 190 C GLU A 28 27.900 8.779 18.003 1.00 44.69 C +ATOM 191 O GLU A 28 29.139 8.801 18.041 1.00 48.07 O +ATOM 192 CB GLU A 28 27.077 8.251 15.689 1.00 38.59 C +ATOM 193 CG GLU A 28 26.712 7.162 14.697 1.00 33.07 C +ATOM 194 CD GLU A 28 26.683 7.592 13.259 1.00 31.06 C +ATOM 195 OE1 GLU A 28 26.528 8.803 13.024 1.00 34.38 O +ATOM 196 OE2 GLU A 28 26.798 6.775 12.312 1.00 39.86 O +ATOM 197 N GLU A 29 27.173 9.642 18.720 1.00 43.74 N +ATOM 198 CA GLU A 29 27.893 10.531 19.659 1.00 48.90 C +ATOM 199 C GLU A 29 28.524 9.711 20.785 1.00 52.38 C +ATOM 200 O GLU A 29 29.646 9.923 21.261 1.00 52.86 O +ATOM 201 CB GLU A 29 26.964 11.608 20.206 1.00 56.25 C +ATOM 202 CG GLU A 29 27.281 12.138 21.604 1.00 60.73 C +ATOM 203 CD GLU A 29 26.585 13.449 21.934 1.00 65.92 C +ATOM 204 OE1 GLU A 29 25.795 13.903 21.072 1.00 66.77 O +ATOM 205 OE2 GLU A 29 26.790 14.056 23.015 1.00 71.51 O +ATOM 206 N LYS A 30 27.733 8.731 21.222 1.00 51.97 N +ATOM 207 CA LYS A 30 28.103 7.838 22.300 1.00 51.93 C +ATOM 208 C LYS A 30 29.472 7.233 22.018 1.00 50.01 C +ATOM 209 O LYS A 30 30.343 7.395 22.864 1.00 48.00 O +ATOM 210 CB LYS A 30 27.073 6.723 22.473 1.00 55.38 C +ATOM 211 CG LYS A 30 25.730 7.203 22.990 1.00 55.76 C +ATOM 212 CD LYS A 30 25.831 8.619 23.537 1.00 57.07 C +ATOM 213 CE LYS A 30 24.531 9.370 23.318 1.00 56.43 C +ATOM 214 NZ LYS A 30 24.701 10.607 22.497 1.00 59.02 N +ATOM 215 N TYR A 31 29.625 6.570 20.878 0.72 47.46 N +ATOM 216 CA TYR A 31 30.831 5.823 20.586 0.72 47.92 C +ATOM 217 C TYR A 31 31.918 6.735 20.012 0.72 51.74 C +ATOM 218 O TYR A 31 33.001 6.235 19.696 0.72 48.70 O +ATOM 219 CB TYR A 31 30.638 4.726 19.552 0.72 51.13 C +ATOM 220 CG TYR A 31 29.737 3.552 19.734 0.72 50.30 C +ATOM 221 CD1 TYR A 31 28.432 3.653 20.209 0.72 48.27 C +ATOM 222 CD2 TYR A 31 30.225 2.287 19.400 0.72 49.51 C +ATOM 223 CE1 TYR A 31 27.648 2.522 20.350 0.72 43.88 C +ATOM 224 CE2 TYR A 31 29.452 1.155 19.538 0.72 46.87 C +ATOM 225 CZ TYR A 31 28.163 1.290 20.014 0.72 45.75 C +ATOM 226 OH TYR A 31 27.400 0.157 20.150 0.72 52.45 O +ATOM 227 N ASN A 32 31.642 8.022 19.848 1.00 53.87 N +ATOM 228 CA ASN A 32 32.701 8.925 19.360 1.00 51.97 C +ATOM 229 C ASN A 32 33.062 8.623 17.915 1.00 53.09 C +ATOM 230 O ASN A 32 34.057 9.183 17.427 1.00 61.01 O +ATOM 231 CB ASN A 32 33.915 8.815 20.271 1.00 54.17 C +ATOM 232 CG ASN A 32 34.900 9.935 20.409 1.00 55.32 C +ATOM 233 OD1 ASN A 32 34.600 11.044 20.879 1.00 67.65 O +ATOM 234 ND2 ASN A 32 36.161 9.684 20.036 1.00 52.10 N +ATOM 235 N LYS A 33 32.332 7.796 17.178 1.00 52.08 N +ATOM 236 CA LYS A 33 32.641 7.509 15.777 1.00 49.30 C +ATOM 237 C LYS A 33 31.394 7.252 14.926 1.00 45.71 C +ATOM 238 O LYS A 33 30.346 6.869 15.431 1.00 40.98 O +ATOM 239 CB LYS A 33 33.563 6.285 15.656 1.00 56.80 C +ATOM 240 CG LYS A 33 33.074 5.117 16.502 1.00 60.99 C +ATOM 241 CD LYS A 33 33.102 3.816 15.725 1.00 62.80 C +ATOM 242 CE LYS A 33 32.971 2.624 16.667 1.00 63.87 C +ATOM 243 NZ LYS A 33 32.036 1.599 16.135 1.00 74.98 N +ATOM 244 N LYS A 34 31.523 7.474 13.617 0.72 43.10 N +ATOM 245 CA LYS A 34 30.471 7.163 12.658 0.72 37.44 C +ATOM 246 C LYS A 34 30.420 5.658 12.444 0.72 33.12 C +ATOM 247 O LYS A 34 31.464 4.997 12.386 0.72 36.01 O +ATOM 248 CB LYS A 34 30.710 7.864 11.325 0.72 42.52 C +ATOM 249 CG LYS A 34 30.428 9.358 11.329 0.72 47.41 C +ATOM 250 CD LYS A 34 29.619 9.752 10.095 0.72 51.14 C +ATOM 251 CE LYS A 34 28.885 11.063 10.294 0.72 51.33 C +ATOM 252 NZ LYS A 34 27.796 11.296 9.304 0.72 62.31 N +ATOM 253 N PHE A 35 29.197 5.126 12.345 1.00 35.45 N +ATOM 254 CA PHE A 35 29.087 3.727 11.971 1.00 33.97 C +ATOM 255 C PHE A 35 29.239 3.628 10.466 1.00 32.15 C +ATOM 256 O PHE A 35 28.638 4.381 9.695 1.00 44.05 O +ATOM 257 CB PHE A 35 27.747 3.157 12.437 1.00 32.13 C +ATOM 258 CG PHE A 35 27.676 2.981 13.949 1.00 35.63 C +ATOM 259 CD1 PHE A 35 26.933 3.860 14.722 1.00 36.93 C +ATOM 260 CD2 PHE A 35 28.352 1.941 14.550 1.00 37.64 C +ATOM 261 CE1 PHE A 35 26.883 3.693 16.095 1.00 37.92 C +ATOM 262 CE2 PHE A 35 28.338 1.782 15.924 1.00 39.86 C +ATOM 263 CZ PHE A 35 27.623 2.678 16.683 1.00 41.45 C +ATOM 264 N PRO A 36 30.019 2.688 9.972 1.00 36.13 N +ATOM 265 CA PRO A 36 30.059 2.610 8.506 1.00 35.24 C +ATOM 266 C PRO A 36 28.693 2.218 7.925 1.00 33.77 C +ATOM 267 O PRO A 36 28.533 2.620 6.771 1.00 36.88 O +ATOM 268 CB PRO A 36 31.079 1.521 8.236 1.00 35.75 C +ATOM 269 CG PRO A 36 31.091 0.703 9.477 1.00 36.76 C +ATOM 270 CD PRO A 36 30.860 1.677 10.615 1.00 37.60 C +ATOM 271 N VAL A 37 27.858 1.514 8.674 1.00 28.71 N +ATOM 272 CA VAL A 37 26.585 0.886 8.358 1.00 26.36 C +ATOM 273 C VAL A 37 25.657 0.995 9.564 1.00 22.89 C +ATOM 274 O VAL A 37 26.126 1.094 10.694 1.00 26.81 O +ATOM 275 CB VAL A 37 26.819 -0.593 7.974 1.00 32.29 C +ATOM 276 CG1 VAL A 37 25.554 -1.416 7.910 1.00 45.07 C +ATOM 277 CG2 VAL A 37 27.556 -0.591 6.621 1.00 36.85 C +ATOM 278 N PHE A 38 24.334 0.974 9.327 1.00 21.96 N +ATOM 279 CA PHE A 38 23.392 1.171 10.421 1.00 19.83 C +ATOM 280 C PHE A 38 22.061 0.642 9.903 1.00 18.38 C +ATOM 281 O PHE A 38 21.129 1.431 9.676 1.00 21.05 O +ATOM 282 CB PHE A 38 23.259 2.622 10.885 1.00 21.55 C +ATOM 283 CG PHE A 38 22.847 2.746 12.357 1.00 21.94 C +ATOM 284 CD1 PHE A 38 23.730 2.424 13.380 1.00 22.14 C +ATOM 285 CD2 PHE A 38 21.570 3.204 12.685 1.00 20.55 C +ATOM 286 CE1 PHE A 38 23.339 2.546 14.698 1.00 22.38 C +ATOM 287 CE2 PHE A 38 21.153 3.282 13.998 1.00 22.60 C +ATOM 288 CZ PHE A 38 22.046 2.937 15.004 1.00 24.08 C +ATOM 289 N LYS A 39 22.046 -0.682 9.739 1.00 20.99 N +ATOM 290 CA LYS A 39 20.957 -1.340 9.015 1.00 20.27 C +ATOM 291 C LYS A 39 20.035 -2.080 9.983 1.00 19.16 C +ATOM 292 O LYS A 39 20.450 -3.023 10.664 1.00 20.46 O +ATOM 293 CB LYS A 39 21.529 -2.337 7.984 1.00 21.81 C +ATOM 294 CG LYS A 39 20.471 -2.982 7.117 1.00 24.42 C +ATOM 295 CD LYS A 39 21.054 -3.934 6.079 1.00 37.01 C +ATOM 296 CE LYS A 39 20.569 -3.605 4.683 1.00 46.75 C +ATOM 297 NZ LYS A 39 21.393 -4.207 3.582 1.00 48.86 N +ATOM 298 N ALA A 40 18.771 -1.703 10.027 1.00 18.78 N +ATOM 299 CA ALA A 40 17.810 -2.404 10.889 1.00 19.39 C +ATOM 300 C ALA A 40 17.622 -3.818 10.342 1.00 20.66 C +ATOM 301 O ALA A 40 17.507 -4.004 9.124 1.00 24.01 O +ATOM 302 CB ALA A 40 16.500 -1.664 10.940 1.00 20.39 C +ATOM 303 N VAL A 41 17.607 -4.780 11.226 1.00 21.66 N +ATOM 304 CA VAL A 41 17.505 -6.180 10.861 1.00 23.04 C +ATOM 305 C VAL A 41 16.186 -6.810 11.277 1.00 22.38 C +ATOM 306 O VAL A 41 15.553 -7.580 10.544 1.00 25.02 O +ATOM 307 CB VAL A 41 18.669 -6.949 11.553 1.00 27.67 C +ATOM 308 CG1 VAL A 41 18.464 -8.430 11.296 1.00 30.75 C +ATOM 309 CG2 VAL A 41 20.023 -6.461 11.084 1.00 29.04 C +ATOM 310 N SER A 42 15.795 -6.482 12.513 1.00 21.63 N +ATOM 311 CA SER A 42 14.641 -7.110 13.146 1.00 21.67 C +ATOM 312 C SER A 42 14.182 -6.256 14.302 1.00 20.76 C +ATOM 313 O SER A 42 14.947 -5.424 14.785 1.00 19.81 O +ATOM 314 CB SER A 42 15.035 -8.521 13.620 1.00 23.29 C +ATOM 315 OG SER A 42 16.102 -8.415 14.552 1.00 25.41 O +ATOM 316 N PHE A 43 12.921 -6.472 14.722 1.00 21.32 N +ATOM 317 CA PHE A 43 12.419 -5.739 15.876 1.00 21.04 C +ATOM 318 C PHE A 43 11.344 -6.515 16.607 1.00 22.08 C +ATOM 319 O PHE A 43 10.722 -7.445 16.091 1.00 23.44 O +ATOM 320 CB PHE A 43 11.864 -4.383 15.413 1.00 20.22 C +ATOM 321 CG PHE A 43 10.539 -4.434 14.655 1.00 21.87 C +ATOM 322 CD1 PHE A 43 10.499 -4.662 13.293 1.00 21.63 C +ATOM 323 CD2 PHE A 43 9.308 -4.232 15.319 1.00 20.34 C +ATOM 324 CE1 PHE A 43 9.303 -4.705 12.590 1.00 22.66 C +ATOM 325 CE2 PHE A 43 8.115 -4.300 14.646 1.00 22.56 C +ATOM 326 CZ PHE A 43 8.109 -4.564 13.274 1.00 22.22 C +ATOM 327 N LYS A 44 11.119 -6.104 17.841 1.00 22.48 N +ATOM 328 CA LYS A 44 9.936 -6.409 18.633 1.00 22.43 C +ATOM 329 C LYS A 44 9.213 -5.113 18.983 1.00 20.89 C +ATOM 330 O LYS A 44 9.883 -4.137 19.219 1.00 22.72 O +ATOM 331 CB LYS A 44 10.333 -7.122 19.926 1.00 26.61 C +ATOM 332 CG LYS A 44 10.892 -8.528 19.692 1.00 28.87 C +ATOM 333 CD LYS A 44 11.083 -9.251 21.022 1.00 31.24 C +ATOM 334 CE LYS A 44 11.675 -10.629 20.749 1.00 34.96 C +ATOM 335 NZ LYS A 44 10.698 -11.732 20.798 1.00 42.89 N +ATOM 336 N SER A 45 7.892 -5.089 19.032 1.00 20.38 N +ATOM 337 CA SER A 45 7.122 -3.945 19.484 1.00 19.49 C +ATOM 338 C SER A 45 6.440 -4.291 20.812 1.00 17.89 C +ATOM 339 O SER A 45 6.090 -5.452 21.074 1.00 21.44 O +ATOM 340 CB SER A 45 6.074 -3.474 18.468 1.00 21.75 C +ATOM 341 OG SER A 45 5.113 -4.435 18.140 1.00 25.84 O +ATOM 342 N GLN A 46 6.247 -3.259 21.619 1.00 18.93 N +ATOM 343 CA GLN A 46 5.554 -3.372 22.891 1.00 21.15 C +ATOM 344 C GLN A 46 4.673 -2.163 23.085 1.00 18.49 C +ATOM 345 O GLN A 46 5.136 -1.032 23.088 1.00 19.95 O +ATOM 346 CB GLN A 46 6.607 -3.456 24.014 1.00 24.83 C +ATOM 347 CG GLN A 46 6.075 -3.423 25.442 1.00 29.55 C +ATOM 348 CD GLN A 46 7.198 -3.248 26.477 1.00 34.95 C +ATOM 349 OE1 GLN A 46 7.300 -3.978 27.468 1.00 53.45 O +ATOM 350 NE2 GLN A 46 8.095 -2.278 26.287 1.00 34.16 N +ATOM 351 N VAL A 47 3.372 -2.392 23.233 1.00 18.64 N +ATOM 352 CA VAL A 47 2.438 -1.312 23.466 1.00 18.23 C +ATOM 353 C VAL A 47 2.651 -0.865 24.912 1.00 17.99 C +ATOM 354 O VAL A 47 2.748 -1.723 25.811 1.00 20.69 O +ATOM 355 CB VAL A 47 0.971 -1.776 23.253 1.00 18.54 C +ATOM 356 CG1 VAL A 47 0.016 -0.723 23.733 1.00 18.57 C +ATOM 357 CG2 VAL A 47 0.674 -2.114 21.778 1.00 20.26 C +ATOM 358 N VAL A 48 2.737 0.442 25.104 1.00 17.25 N +ATOM 359 CA VAL A 48 2.837 1.058 26.399 1.00 18.35 C +ATOM 360 C VAL A 48 1.691 2.046 26.554 1.00 16.85 C +ATOM 361 O VAL A 48 1.529 2.921 25.701 1.00 20.23 O +ATOM 362 CB VAL A 48 4.186 1.793 26.542 1.00 20.71 C +ATOM 363 CG1 VAL A 48 4.334 2.441 27.905 1.00 28.87 C +ATOM 364 CG2 VAL A 48 5.350 0.817 26.339 1.00 29.37 C +ATOM 365 N ALA A 49 0.924 1.900 27.631 1.00 15.96 N +ATOM 366 CA ALA A 49 -0.157 2.872 27.852 1.00 15.05 C +ATOM 367 C ALA A 49 -0.441 2.922 29.346 1.00 15.19 C +ATOM 368 O ALA A 49 -0.810 1.918 29.969 1.00 17.17 O +ATOM 369 CB ALA A 49 -1.407 2.518 27.060 1.00 16.68 C +ATOM 370 N GLY A 50 -0.254 4.103 29.938 1.00 15.25 N +ATOM 371 CA GLY A 50 -0.417 4.190 31.409 1.00 15.18 C +ATOM 372 C GLY A 50 -0.030 5.572 31.877 1.00 14.32 C +ATOM 373 O GLY A 50 -0.003 6.511 31.071 1.00 16.67 O +ATOM 374 N THR A 51 0.245 5.710 33.150 1.00 14.75 N +ATOM 375 CA THR A 51 0.574 6.989 33.730 1.00 15.43 C +ATOM 376 C THR A 51 1.971 6.937 34.367 1.00 16.67 C +ATOM 377 O THR A 51 2.229 6.080 35.209 1.00 17.65 O +ATOM 378 CB THR A 51 -0.447 7.369 34.838 1.00 17.19 C +ATOM 379 OG1 THR A 51 -1.792 7.233 34.329 1.00 16.52 O +ATOM 380 CG2 THR A 51 -0.242 8.808 35.271 1.00 17.38 C +ATOM 381 N ASN A 52 2.809 7.888 33.964 1.00 16.15 N +ATOM 382 CA ASN A 52 4.062 8.120 34.679 1.00 16.00 C +ATOM 383 C ASN A 52 3.763 9.049 35.850 1.00 15.40 C +ATOM 384 O ASN A 52 2.984 9.998 35.713 1.00 19.06 O +ATOM 385 CB ASN A 52 5.098 8.785 33.778 1.00 18.87 C +ATOM 386 CG ASN A 52 6.068 7.872 33.058 1.00 18.29 C +ATOM 387 OD1 ASN A 52 6.181 6.693 33.415 1.00 22.20 O +ATOM 388 ND2 ASN A 52 6.732 8.409 32.041 1.00 20.33 N +ATOM 389 N TYR A 53 4.401 8.780 36.975 1.00 16.23 N +ATOM 390 CA TYR A 53 4.367 9.713 38.084 1.00 17.78 C +ATOM 391 C TYR A 53 5.767 10.120 38.461 1.00 18.04 C +ATOM 392 O TYR A 53 6.636 9.238 38.579 1.00 19.69 O +ATOM 393 CB TYR A 53 3.708 9.062 39.324 1.00 19.30 C +ATOM 394 CG TYR A 53 2.251 8.741 39.093 1.00 17.52 C +ATOM 395 CD1 TYR A 53 1.327 9.783 39.188 1.00 18.14 C +ATOM 396 CD2 TYR A 53 1.784 7.462 38.805 1.00 21.20 C +ATOM 397 CE1 TYR A 53 -0.030 9.529 38.992 1.00 20.55 C +ATOM 398 CE2 TYR A 53 0.404 7.207 38.597 1.00 20.55 C +ATOM 399 CZ TYR A 53 -0.483 8.267 38.693 1.00 21.54 C +ATOM 400 OH TYR A 53 -1.868 8.098 38.504 1.00 27.85 O +ATOM 401 N PHE A 54 5.935 11.406 38.661 1.00 19.51 N +ATOM 402 CA PHE A 54 7.214 11.961 39.133 1.00 18.53 C +ATOM 403 C PHE A 54 6.974 12.344 40.579 1.00 17.72 C +ATOM 404 O PHE A 54 6.058 13.153 40.801 1.00 21.11 O +ATOM 405 CB PHE A 54 7.612 13.177 38.270 1.00 22.87 C +ATOM 406 CG PHE A 54 7.827 12.710 36.823 1.00 30.17 C +ATOM 407 CD1 PHE A 54 9.077 12.350 36.368 1.00 35.16 C +ATOM 408 CD2 PHE A 54 6.725 12.637 35.996 1.00 36.31 C +ATOM 409 CE1 PHE A 54 9.191 11.909 35.052 1.00 38.37 C +ATOM 410 CE2 PHE A 54 6.835 12.205 34.683 1.00 37.11 C +ATOM 411 CZ PHE A 54 8.077 11.826 34.242 1.00 38.49 C +ATOM 412 N ILE A 55 7.713 11.733 41.508 1.00 18.11 N +ATOM 413 CA ILE A 55 7.403 11.896 42.931 1.00 18.58 C +ATOM 414 C ILE A 55 8.564 12.528 43.673 1.00 19.58 C +ATOM 415 O ILE A 55 9.668 12.020 43.529 1.00 21.31 O +ATOM 416 CB ILE A 55 7.100 10.534 43.577 1.00 17.80 C +ATOM 417 CG1 ILE A 55 5.975 9.757 42.863 1.00 17.39 C +ATOM 418 CG2 ILE A 55 6.769 10.722 45.053 1.00 17.97 C +ATOM 419 CD1 ILE A 55 5.837 8.306 43.319 1.00 19.20 C +ATOM 420 N LYS A 56 8.295 13.589 44.428 0.58 20.31 N +ATOM 421 CA LYS A 56 9.297 14.230 45.264 0.58 20.56 C +ATOM 422 C LYS A 56 9.223 13.605 46.665 0.58 19.55 C +ATOM 423 O LYS A 56 8.114 13.539 47.229 0.58 21.39 O +ATOM 424 CB LYS A 56 9.084 15.741 45.353 0.58 21.78 C +ATOM 425 CG LYS A 56 10.096 16.427 46.281 0.58 25.17 C +ATOM 426 CD LYS A 56 9.900 17.936 46.243 0.58 27.21 C +ATOM 427 CE LYS A 56 10.033 18.485 44.827 0.58 29.80 C +ATOM 428 NZ LYS A 56 11.177 19.419 44.686 0.58 34.50 N +ATOM 429 N VAL A 57 10.386 13.171 47.153 1.00 20.83 N +ATOM 430 CA VAL A 57 10.465 12.492 48.460 1.00 20.41 C +ATOM 431 C VAL A 57 11.464 13.206 49.353 1.00 21.96 C +ATOM 432 O VAL A 57 12.563 13.498 48.882 1.00 25.59 O +ATOM 433 CB VAL A 57 10.913 11.024 48.256 1.00 18.89 C +ATOM 434 CG1 VAL A 57 11.085 10.298 49.581 1.00 20.29 C +ATOM 435 CG2 VAL A 57 9.954 10.268 47.365 1.00 18.44 C +ATOM 436 N HIS A 58 11.104 13.513 50.590 1.00 21.68 N +ATOM 437 CA HIS A 58 12.049 14.069 51.559 1.00 22.93 C +ATOM 438 C HIS A 58 12.865 12.954 52.231 1.00 21.17 C +ATOM 439 O HIS A 58 12.284 11.991 52.754 1.00 21.34 O +ATOM 440 CB HIS A 58 11.311 14.881 52.617 1.00 25.16 C +ATOM 441 CG HIS A 58 12.216 15.463 53.648 1.00 28.33 C +ATOM 442 ND1 HIS A 58 12.030 15.284 54.997 1.00 33.56 N +ATOM 443 CD2 HIS A 58 13.300 16.243 53.475 1.00 27.77 C +ATOM 444 CE1 HIS A 58 13.001 15.941 55.643 1.00 36.23 C +ATOM 445 NE2 HIS A 58 13.776 16.526 54.735 1.00 31.13 N +ATOM 446 N VAL A 59 14.194 13.110 52.171 1.00 21.90 N +ATOM 447 CA VAL A 59 15.026 12.053 52.785 1.00 21.37 C +ATOM 448 C VAL A 59 15.864 12.593 53.941 1.00 23.13 C +ATOM 449 O VAL A 59 16.854 11.966 54.323 1.00 24.75 O +ATOM 450 CB VAL A 59 15.876 11.311 51.732 1.00 21.04 C +ATOM 451 CG1 VAL A 59 14.947 10.656 50.694 1.00 21.55 C +ATOM 452 CG2 VAL A 59 16.873 12.195 51.016 1.00 23.06 C +ATOM 453 N GLY A 60 15.416 13.707 54.520 1.00 26.12 N +ATOM 454 CA GLY A 60 15.946 14.237 55.759 1.00 28.68 C +ATOM 455 C GLY A 60 16.706 15.519 55.527 1.00 27.87 C +ATOM 456 O GLY A 60 17.260 15.742 54.444 1.00 30.05 O +ATOM 457 N ASP A 61 16.721 16.371 56.529 1.00 34.43 N +ATOM 458 CA ASP A 61 17.325 17.703 56.436 1.00 35.50 C +ATOM 459 C ASP A 61 16.859 18.416 55.174 1.00 37.60 C +ATOM 460 O ASP A 61 15.645 18.545 54.955 1.00 36.68 O +ATOM 461 CB ASP A 61 18.853 17.587 56.535 1.00 37.73 C +ATOM 462 CG ASP A 61 19.221 17.035 57.904 1.00 41.88 C +ATOM 463 OD1 ASP A 61 18.560 17.376 58.909 1.00 49.97 O +ATOM 464 OD2 ASP A 61 20.173 16.242 57.992 1.00 51.77 O +ATOM 465 N GLU A 62 17.761 18.902 54.323 1.00 35.18 N +ATOM 466 CA GLU A 62 17.307 19.617 53.123 1.00 33.97 C +ATOM 467 C GLU A 62 17.417 18.714 51.892 1.00 31.33 C +ATOM 468 O GLU A 62 17.421 19.215 50.768 1.00 34.04 O +ATOM 469 CB GLU A 62 18.109 20.887 52.876 1.00 37.92 C +ATOM 470 CG GLU A 62 18.044 21.935 53.980 1.00 49.47 C +ATOM 471 CD GLU A 62 18.920 23.144 53.745 1.00 58.11 C +ATOM 472 OE1 GLU A 62 18.444 24.279 53.984 1.00 77.19 O +ATOM 473 OE2 GLU A 62 20.098 23.027 53.325 1.00 64.26 O +ATOM 474 N ASP A 63 17.522 17.416 52.134 1.00 30.15 N +ATOM 475 CA ASP A 63 17.786 16.461 51.061 1.00 28.33 C +ATOM 476 C ASP A 63 16.531 15.809 50.513 1.00 26.40 C +ATOM 477 O ASP A 63 15.676 15.394 51.286 1.00 27.40 O +ATOM 478 CB ASP A 63 18.701 15.324 51.547 0.72 27.35 C +ATOM 479 CG ASP A 63 20.081 15.778 51.967 0.72 33.50 C +ATOM 480 OD1 ASP A 63 20.680 16.608 51.252 0.72 42.22 O +ATOM 481 OD2 ASP A 63 20.591 15.302 53.012 0.72 40.84 O +ATOM 482 N PHE A 64 16.435 15.741 49.183 1.00 25.34 N +ATOM 483 CA PHE A 64 15.284 15.149 48.537 1.00 26.56 C +ATOM 484 C PHE A 64 15.703 14.137 47.472 1.00 26.64 C +ATOM 485 O PHE A 64 16.820 14.147 46.978 1.00 27.94 O +ATOM 486 CB PHE A 64 14.415 16.266 47.903 1.00 27.57 C +ATOM 487 CG PHE A 64 13.734 17.137 48.949 1.00 28.67 C +ATOM 488 CD1 PHE A 64 14.420 18.150 49.613 1.00 31.07 C +ATOM 489 CD2 PHE A 64 12.408 16.940 49.299 1.00 26.13 C +ATOM 490 CE1 PHE A 64 13.816 18.905 50.586 1.00 31.47 C +ATOM 491 CE2 PHE A 64 11.781 17.714 50.242 1.00 28.18 C +ATOM 492 CZ PHE A 64 12.482 18.718 50.890 1.00 31.93 C +ATOM 493 N VAL A 65 14.758 13.261 47.123 1.00 24.84 N +ATOM 494 CA VAL A 65 14.909 12.308 46.018 1.00 24.40 C +ATOM 495 C VAL A 65 13.736 12.492 45.071 1.00 20.68 C +ATOM 496 O VAL A 65 12.629 12.719 45.577 1.00 23.95 O +ATOM 497 CB VAL A 65 15.021 10.871 46.551 1.00 24.52 C +ATOM 498 CG1 VAL A 65 14.991 9.823 45.447 1.00 33.98 C +ATOM 499 CG2 VAL A 65 16.334 10.735 47.350 1.00 25.50 C +ATOM 500 N HIS A 66 13.970 12.402 43.760 1.00 21.34 N +ATOM 501 CA HIS A 66 12.865 12.332 42.796 1.00 22.54 C +ATOM 502 C HIS A 66 12.777 10.924 42.230 1.00 20.46 C +ATOM 503 O HIS A 66 13.822 10.331 41.942 1.00 22.76 O +ATOM 504 CB HIS A 66 13.038 13.338 41.641 1.00 25.93 C +ATOM 505 CG HIS A 66 12.796 14.744 42.074 1.00 27.03 C +ATOM 506 ND1 HIS A 66 12.709 15.799 41.204 1.00 27.75 N +ATOM 507 CD2 HIS A 66 12.639 15.279 43.316 1.00 26.83 C +ATOM 508 CE1 HIS A 66 12.506 16.913 41.861 1.00 28.26 C +ATOM 509 NE2 HIS A 66 12.454 16.641 43.161 1.00 27.64 N +ATOM 510 N LEU A 67 11.568 10.409 42.101 1.00 19.26 N +ATOM 511 CA LEU A 67 11.283 9.107 41.517 1.00 17.16 C +ATOM 512 C LEU A 67 10.458 9.242 40.248 1.00 16.74 C +ATOM 513 O LEU A 67 9.616 10.145 40.167 1.00 19.68 O +ATOM 514 CB LEU A 67 10.463 8.246 42.493 1.00 19.24 C +ATOM 515 CG LEU A 67 10.991 8.166 43.922 1.00 17.89 C +ATOM 516 CD1 LEU A 67 10.042 7.339 44.768 1.00 18.77 C +ATOM 517 CD2 LEU A 67 12.403 7.562 43.884 1.00 21.21 C +ATOM 518 N ARG A 68 10.675 8.344 39.296 1.00 19.25 N +ATOM 519 CA ARG A 68 9.753 8.135 38.192 1.00 19.74 C +ATOM 520 C ARG A 68 9.206 6.719 38.283 1.00 18.85 C +ATOM 521 O ARG A 68 10.025 5.777 38.265 1.00 20.71 O +ATOM 522 CB ARG A 68 10.395 8.353 36.811 0.72 17.66 C +ATOM 523 CG ARG A 68 9.339 8.244 35.711 0.72 19.36 C +ATOM 524 CD ARG A 68 9.823 8.747 34.367 0.72 26.35 C +ATOM 525 NE ARG A 68 10.882 7.853 33.935 0.72 35.70 N +ATOM 526 CZ ARG A 68 11.117 7.518 32.686 0.72 41.71 C +ATOM 527 NH1 ARG A 68 10.356 8.013 31.719 0.72 46.80 N +ATOM 528 NH2 ARG A 68 12.119 6.692 32.460 0.72 50.10 N +ATOM 529 N VAL A 69 7.881 6.626 38.403 1.00 17.03 N +ATOM 530 CA VAL A 69 7.279 5.267 38.474 1.00 16.37 C +ATOM 531 C VAL A 69 6.204 5.191 37.402 1.00 17.89 C +ATOM 532 O VAL A 69 5.663 6.245 37.012 1.00 19.52 O +ATOM 533 CB VAL A 69 6.715 4.995 39.868 1.00 16.89 C +ATOM 534 CG1 VAL A 69 7.794 4.980 40.953 1.00 20.93 C +ATOM 535 CG2 VAL A 69 5.661 6.045 40.251 1.00 22.26 C +ATOM 536 N PHE A 70 5.875 3.997 36.946 1.00 18.10 N +ATOM 537 CA PHE A 70 4.879 3.832 35.910 1.00 17.06 C +ATOM 538 C PHE A 70 3.759 2.908 36.353 1.00 17.85 C +ATOM 539 O PHE A 70 4.010 1.840 36.961 1.00 19.70 O +ATOM 540 CB PHE A 70 5.538 3.268 34.648 1.00 18.20 C +ATOM 541 CG PHE A 70 4.574 3.029 33.492 1.00 18.73 C +ATOM 542 CD1 PHE A 70 4.040 4.094 32.782 1.00 20.08 C +ATOM 543 CD2 PHE A 70 4.202 1.733 33.131 1.00 18.63 C +ATOM 544 CE1 PHE A 70 3.174 3.858 31.708 1.00 17.87 C +ATOM 545 CE2 PHE A 70 3.341 1.489 32.067 1.00 19.13 C +ATOM 546 CZ PHE A 70 2.821 2.578 31.380 1.00 18.22 C +ATOM 547 N GLN A 71 2.541 3.359 36.034 1.00 17.16 N +ATOM 548 CA GLN A 71 1.330 2.564 36.306 1.00 17.49 C +ATOM 549 C GLN A 71 0.667 2.224 34.985 1.00 16.60 C +ATOM 550 O GLN A 71 0.165 3.129 34.314 1.00 16.31 O +ATOM 551 CB GLN A 71 0.394 3.350 37.230 1.00 18.04 C +ATOM 552 CG GLN A 71 -0.810 2.570 37.765 1.00 19.34 C +ATOM 553 CD GLN A 71 -1.680 3.372 38.710 1.00 22.30 C +ATOM 554 OE1 GLN A 71 -1.438 4.579 38.869 1.00 27.27 O +ATOM 555 NE2 GLN A 71 -2.681 2.762 39.346 1.00 23.20 N +ATOM 556 N SER A 72 0.661 0.952 34.594 1.00 15.55 N +ATOM 557 CA SER A 72 0.016 0.586 33.330 1.00 15.50 C +ATOM 558 C SER A 72 -1.499 0.648 33.396 1.00 15.64 C +ATOM 559 O SER A 72 -2.082 0.398 34.458 1.00 16.88 O +ATOM 560 CB SER A 72 0.424 -0.872 32.991 1.00 16.81 C +ATOM 561 OG SER A 72 -0.114 -1.258 31.735 1.00 18.11 O +ATOM 562 N LEU A 73 -2.161 0.918 32.283 1.00 14.97 N +ATOM 563 CA LEU A 73 -3.588 0.566 32.173 1.00 14.23 C +ATOM 564 C LEU A 73 -3.767 -0.911 32.442 1.00 16.07 C +ATOM 565 O LEU A 73 -2.781 -1.693 32.319 1.00 18.41 O +ATOM 566 CB LEU A 73 -4.102 0.946 30.787 1.00 14.36 C +ATOM 567 CG LEU A 73 -4.365 2.443 30.561 1.00 14.95 C +ATOM 568 CD1 LEU A 73 -4.643 2.714 29.078 1.00 16.53 C +ATOM 569 CD2 LEU A 73 -5.503 2.963 31.444 1.00 15.96 C +ATOM 570 N PRO A 74 -4.955 -1.394 32.794 1.00 16.32 N +ATOM 571 CA PRO A 74 -6.182 -0.605 32.949 1.00 16.57 C +ATOM 572 C PRO A 74 -6.238 0.207 34.219 1.00 17.86 C +ATOM 573 O PRO A 74 -5.340 0.165 35.057 1.00 17.38 O +ATOM 574 CB PRO A 74 -7.252 -1.719 32.990 1.00 16.78 C +ATOM 575 CG PRO A 74 -6.539 -2.859 33.676 1.00 17.19 C +ATOM 576 CD PRO A 74 -5.153 -2.844 33.047 1.00 16.17 C +ATOM 577 N HIS A 75 -7.304 1.013 34.389 1.00 16.60 N +ATOM 578 CA HIS A 75 -7.355 1.924 35.517 1.00 17.53 C +ATOM 579 C HIS A 75 -7.383 1.167 36.845 1.00 18.10 C +ATOM 580 O HIS A 75 -7.013 1.729 37.876 1.00 21.36 O +ATOM 581 CB HIS A 75 -8.616 2.823 35.441 1.00 18.21 C +ATOM 582 CG HIS A 75 -8.353 4.023 34.559 1.00 17.65 C +ATOM 583 ND1 HIS A 75 -8.228 5.324 34.949 1.00 20.47 N +ATOM 584 CD2 HIS A 75 -8.187 4.029 33.216 1.00 14.16 C +ATOM 585 CE1 HIS A 75 -7.975 6.108 33.886 1.00 15.89 C +ATOM 586 NE2 HIS A 75 -7.964 5.314 32.832 1.00 17.96 N +ATOM 587 N GLU A 76 -7.837 -0.098 36.852 1.00 18.79 N +ATOM 588 CA GLU A 76 -7.923 -0.792 38.142 1.00 21.11 C +ATOM 589 C GLU A 76 -6.611 -1.464 38.503 1.00 19.93 C +ATOM 590 O GLU A 76 -6.504 -2.056 39.585 1.00 22.16 O +ATOM 591 CB GLU A 76 -9.094 -1.797 38.164 1.00 21.66 C +ATOM 592 CG GLU A 76 -8.859 -3.039 37.306 1.00 23.83 C +ATOM 593 CD GLU A 76 -9.353 -2.990 35.887 1.00 24.80 C +ATOM 594 OE1 GLU A 76 -9.571 -1.882 35.353 1.00 23.52 O +ATOM 595 OE2 GLU A 76 -9.518 -4.098 35.287 1.00 26.26 O +ATOM 596 N ASN A 77 -5.617 -1.371 37.621 1.00 19.55 N +ATOM 597 CA ASN A 77 -4.299 -1.895 37.975 1.00 19.49 C +ATOM 598 C ASN A 77 -3.640 -0.991 39.004 1.00 20.04 C +ATOM 599 O ASN A 77 -3.490 0.209 38.783 1.00 24.73 O +ATOM 600 CB ASN A 77 -3.424 -1.941 36.742 1.00 20.49 C +ATOM 601 CG ASN A 77 -1.951 -2.181 37.111 1.00 19.98 C +ATOM 602 OD1 ASN A 77 -1.676 -3.117 37.851 1.00 23.84 O +ATOM 603 ND2 ASN A 77 -1.054 -1.345 36.587 1.00 22.45 N +ATOM 604 N LYS A 78 -3.247 -1.577 40.130 1.00 25.02 N +ATOM 605 CA LYS A 78 -2.634 -0.764 41.184 1.00 27.81 C +ATOM 606 C LYS A 78 -1.148 -1.069 41.313 1.00 28.66 C +ATOM 607 O LYS A 78 -0.503 -0.583 42.250 1.00 36.67 O +ATOM 608 CB LYS A 78 -3.365 -1.003 42.509 1.00 29.67 C +ATOM 609 CG LYS A 78 -4.882 -0.916 42.497 1.00 34.34 C +ATOM 610 CD LYS A 78 -5.340 0.460 42.065 1.00 47.76 C +ATOM 611 CE LYS A 78 -6.839 0.661 42.243 1.00 52.20 C +ATOM 612 NZ LYS A 78 -7.099 1.784 43.191 1.00 66.09 N +ATOM 613 N SER A 79 -0.583 -1.867 40.410 0.58 28.06 N +ATOM 614 CA SER A 79 0.856 -2.144 40.450 0.58 27.67 C +ATOM 615 C SER A 79 1.609 -1.013 39.764 0.58 28.99 C +ATOM 616 O SER A 79 1.202 -0.547 38.697 0.58 25.15 O +ATOM 617 CB SER A 79 1.153 -3.486 39.791 0.58 30.50 C +ATOM 618 OG SER A 79 2.529 -3.699 39.535 0.58 35.10 O +ATOM 619 N LEU A 80 2.702 -0.594 40.404 1.00 27.46 N +ATOM 620 CA LEU A 80 3.548 0.378 39.716 1.00 26.20 C +ATOM 621 C LEU A 80 4.966 -0.162 39.690 1.00 26.57 C +ATOM 622 O LEU A 80 5.332 -0.920 40.600 1.00 35.69 O +ATOM 623 CB LEU A 80 3.528 1.750 40.391 1.00 25.72 C +ATOM 624 CG LEU A 80 2.242 2.559 40.275 1.00 26.43 C +ATOM 625 CD1 LEU A 80 1.354 2.244 41.472 1.00 35.87 C +ATOM 626 CD2 LEU A 80 2.545 4.050 40.200 1.00 23.82 C +ATOM 627 N THR A 81 5.736 0.222 38.693 1.00 22.43 N +ATOM 628 CA THR A 81 7.132 -0.168 38.640 1.00 23.71 C +ATOM 629 C THR A 81 8.033 1.053 38.643 1.00 20.96 C +ATOM 630 O THR A 81 7.714 2.143 38.182 1.00 21.81 O +ATOM 631 CB THR A 81 7.380 -1.014 37.389 1.00 26.37 C +ATOM 632 OG1 THR A 81 6.961 -0.251 36.254 1.00 30.51 O +ATOM 633 CG2 THR A 81 6.517 -2.251 37.399 1.00 36.16 C +ATOM 634 N LEU A 82 9.178 0.853 39.259 1.00 19.28 N +ATOM 635 CA LEU A 82 10.169 1.920 39.350 1.00 19.50 C +ATOM 636 C LEU A 82 10.950 2.056 38.046 1.00 19.91 C +ATOM 637 O LEU A 82 11.552 1.070 37.596 1.00 24.49 O +ATOM 638 CB LEU A 82 11.161 1.577 40.480 1.00 22.52 C +ATOM 639 CG LEU A 82 12.317 2.546 40.692 1.00 21.73 C +ATOM 640 CD1 LEU A 82 11.810 3.927 41.048 1.00 23.07 C +ATOM 641 CD2 LEU A 82 13.279 2.044 41.781 1.00 23.99 C +ATOM 642 N SER A 83 10.930 3.241 37.456 0.58 19.82 N +ATOM 643 CA SER A 83 11.609 3.505 36.191 0.58 21.48 C +ATOM 644 C SER A 83 12.946 4.220 36.338 0.58 22.96 C +ATOM 645 O SER A 83 13.885 3.960 35.582 0.58 27.96 O +ATOM 646 CB SER A 83 10.719 4.374 35.295 0.58 21.25 C +ATOM 647 OG SER A 83 9.492 3.701 35.072 0.58 21.96 O +ATOM 648 N ASN A 84 13.055 5.139 37.287 1.00 23.07 N +ATOM 649 CA ASN A 84 14.279 5.924 37.487 1.00 23.93 C +ATOM 650 C ASN A 84 14.194 6.677 38.809 1.00 24.00 C +ATOM 651 O ASN A 84 13.132 6.824 39.424 1.00 21.07 O +ATOM 652 CB ASN A 84 14.484 6.934 36.344 1.00 27.49 C +ATOM 653 CG ASN A 84 15.935 7.330 36.131 1.00 32.99 C +ATOM 654 OD1 ASN A 84 16.810 6.833 36.853 1.00 33.25 O +ATOM 655 ND2 ASN A 84 16.253 8.176 35.160 1.00 30.91 N +ATOM 656 N TYR A 85 15.353 7.169 39.255 1.00 24.63 N +ATOM 657 CA TYR A 85 15.392 7.935 40.496 1.00 21.76 C +ATOM 658 C TYR A 85 16.561 8.902 40.357 1.00 22.20 C +ATOM 659 O TYR A 85 17.478 8.660 39.563 1.00 28.14 O +ATOM 660 CB TYR A 85 15.534 7.120 41.787 1.00 24.90 C +ATOM 661 CG TYR A 85 16.867 6.429 41.926 1.00 29.06 C +ATOM 662 CD1 TYR A 85 17.926 6.969 42.662 1.00 30.24 C +ATOM 663 CD2 TYR A 85 17.060 5.207 41.282 1.00 34.82 C +ATOM 664 CE1 TYR A 85 19.134 6.272 42.737 1.00 36.66 C +ATOM 665 CE2 TYR A 85 18.256 4.515 41.362 1.00 37.49 C +ATOM 666 CZ TYR A 85 19.290 5.065 42.096 1.00 39.35 C +ATOM 667 OH TYR A 85 20.478 4.373 42.174 1.00 60.31 O +ATOM 668 N GLN A 86 16.492 9.955 41.127 1.00 25.35 N +ATOM 669 CA GLN A 86 17.549 10.948 41.192 1.00 28.70 C +ATOM 670 C GLN A 86 17.733 11.364 42.649 1.00 28.61 C +ATOM 671 O GLN A 86 16.717 11.703 43.257 1.00 27.32 O +ATOM 672 CB GLN A 86 17.228 12.192 40.377 1.00 31.81 C +ATOM 673 CG GLN A 86 16.961 11.969 38.897 1.00 38.06 C +ATOM 674 CD GLN A 86 16.789 13.343 38.261 1.00 46.05 C +ATOM 675 OE1 GLN A 86 16.058 14.167 38.830 1.00 46.92 O +ATOM 676 NE2 GLN A 86 17.460 13.563 37.142 1.00 54.82 N +ATOM 677 N THR A 87 18.961 11.371 43.146 1.00 30.83 N +ATOM 678 CA THR A 87 19.204 11.828 44.512 1.00 29.98 C +ATOM 679 C THR A 87 19.738 13.259 44.481 1.00 29.89 C +ATOM 680 O THR A 87 19.877 13.900 43.414 1.00 36.47 O +ATOM 681 CB THR A 87 20.155 10.910 45.298 1.00 29.51 C +ATOM 682 OG1 THR A 87 21.449 10.832 44.708 1.00 34.41 O +ATOM 683 CG2 THR A 87 19.616 9.478 45.336 1.00 29.82 C +ATOM 684 N ASN A 88 20.035 13.815 45.652 1.00 30.97 N +ATOM 685 CA ASN A 88 20.567 15.167 45.707 1.00 35.64 C +ATOM 686 C ASN A 88 19.628 16.242 45.165 1.00 34.42 C +ATOM 687 O ASN A 88 20.078 17.180 44.488 1.00 44.58 O +ATOM 688 CB ASN A 88 21.850 15.273 44.912 1.00 39.10 C +ATOM 689 CG ASN A 88 22.896 14.192 44.926 1.00 45.54 C +ATOM 690 OD1 ASN A 88 23.558 13.939 45.945 1.00 40.28 O +ATOM 691 ND2 ASN A 88 23.120 13.560 43.741 1.00 43.37 N +ATOM 692 N LYS A 89 18.341 16.195 45.455 1.00 34.01 N +ATOM 693 CA LYS A 89 17.417 17.227 44.989 1.00 33.42 C +ATOM 694 C LYS A 89 17.015 18.156 46.120 1.00 35.95 C +ATOM 695 O LYS A 89 17.220 17.901 47.312 1.00 32.22 O +ATOM 696 CB LYS A 89 16.201 16.537 44.374 1.00 34.97 C +ATOM 697 CG LYS A 89 16.487 15.246 43.614 1.00 39.39 C +ATOM 698 CD LYS A 89 17.484 15.396 42.483 1.00 43.51 C +ATOM 699 CE LYS A 89 16.852 15.907 41.213 1.00 44.84 C +ATOM 700 NZ LYS A 89 15.721 16.834 41.436 1.00 38.44 N +ATOM 701 N ALA A 90 16.433 19.290 45.759 1.00 38.94 N +ATOM 702 CA ALA A 90 16.078 20.322 46.730 1.00 40.04 C +ATOM 703 C ALA A 90 14.572 20.511 46.833 1.00 41.45 C +ATOM 704 O ALA A 90 13.849 20.048 45.945 1.00 40.27 O +ATOM 705 CB ALA A 90 16.778 21.632 46.358 1.00 50.75 C +ATOM 706 N LYS A 91 14.133 21.155 47.890 1.00 40.65 N +ATOM 707 CA LYS A 91 12.713 21.256 48.203 1.00 39.48 C +ATOM 708 C LYS A 91 11.971 21.950 47.076 1.00 45.01 C +ATOM 709 O LYS A 91 10.902 21.460 46.693 1.00 41.71 O +ATOM 710 CB LYS A 91 12.547 21.979 49.538 1.00 43.98 C +ATOM 711 CG LYS A 91 11.486 23.061 49.531 1.00 55.25 C +ATOM 712 CD LYS A 91 10.521 22.866 50.685 1.00 61.99 C +ATOM 713 CE LYS A 91 9.827 24.172 51.061 1.00 70.53 C +ATOM 714 NZ LYS A 91 9.024 23.986 52.312 1.00 77.48 N +ATOM 715 N HIS A 92 12.532 23.026 46.536 1.00 49.48 N +ATOM 716 CA HIS A 92 11.894 23.704 45.402 1.00 52.15 C +ATOM 717 C HIS A 92 12.400 23.248 44.051 1.00 48.94 C +ATOM 718 O HIS A 92 12.196 23.946 43.052 1.00 58.83 O +ATOM 719 CB HIS A 92 12.073 25.230 45.571 1.00 56.71 C +ATOM 720 CG HIS A 92 11.153 25.710 46.661 1.00 63.27 C +ATOM 721 ND1 HIS A 92 11.541 25.943 47.956 1.00 68.24 N +ATOM 722 CD2 HIS A 92 9.827 25.980 46.630 1.00 64.74 C +ATOM 723 CE1 HIS A 92 10.495 26.337 48.662 1.00 69.15 C +ATOM 724 NE2 HIS A 92 9.436 26.379 47.883 1.00 66.92 N +ATOM 725 N ASP A 93 13.055 22.101 43.899 1.00 46.39 N +ATOM 726 CA ASP A 93 13.379 21.622 42.557 1.00 45.85 C +ATOM 727 C ASP A 93 12.155 21.090 41.797 1.00 45.47 C +ATOM 728 O ASP A 93 11.468 20.246 42.349 1.00 43.06 O +ATOM 729 CB ASP A 93 14.369 20.468 42.639 1.00 50.00 C +ATOM 730 CG ASP A 93 15.820 20.875 42.565 1.00 51.59 C +ATOM 731 OD1 ASP A 93 16.084 22.091 42.417 1.00 56.44 O +ATOM 732 OD2 ASP A 93 16.661 19.948 42.651 1.00 53.59 O +ATOM 733 N GLU A 94 11.923 21.569 40.584 0.58 45.17 N +ATOM 734 CA GLU A 94 10.808 21.171 39.743 0.58 42.45 C +ATOM 735 C GLU A 94 10.732 19.672 39.489 0.58 41.62 C +ATOM 736 O GLU A 94 11.743 18.990 39.320 0.58 40.31 O +ATOM 737 CB AGLU A 94 10.923 21.864 38.376 0.58 42.21 C +ATOM 738 CB BGLU A 94 10.755 22.006 38.450 0.42 42.44 C +ATOM 739 CG AGLU A 94 9.967 23.022 38.153 0.58 44.40 C +ATOM 740 CG BGLU A 94 9.406 21.925 37.738 0.42 41.33 C +ATOM 741 CD AGLU A 94 9.871 23.301 36.659 0.58 45.69 C +ATOM 742 CD BGLU A 94 8.285 21.958 38.765 0.42 44.31 C +ATOM 743 OE1AGLU A 94 10.738 24.040 36.149 0.58 57.48 O +ATOM 744 OE1BGLU A 94 7.731 20.898 39.120 0.42 44.18 O +ATOM 745 OE2AGLU A 94 8.942 22.762 36.020 0.58 48.74 O +ATOM 746 OE2BGLU A 94 7.981 23.077 39.225 0.42 55.36 O +ATOM 747 N LEU A 95 9.504 19.151 39.435 1.00 39.52 N +ATOM 748 CA LEU A 95 9.345 17.753 39.027 1.00 38.55 C +ATOM 749 C LEU A 95 9.333 17.730 37.506 1.00 44.44 C +ATOM 750 O LEU A 95 8.318 17.718 36.824 1.00 52.58 O +ATOM 751 CB LEU A 95 8.091 17.134 39.638 0.72 29.12 C +ATOM 752 CG LEU A 95 8.265 16.799 41.126 0.72 27.81 C +ATOM 753 CD1 LEU A 95 6.909 16.628 41.786 0.72 27.49 C +ATOM 754 CD2 LEU A 95 9.143 15.564 41.295 0.72 21.76 C +ATOM 755 N THR A 96 10.544 17.783 36.967 1.00 50.15 N +ATOM 756 CA THR A 96 10.699 17.802 35.515 1.00 55.13 C +ATOM 757 C THR A 96 10.910 16.372 35.043 1.00 53.40 C +ATOM 758 O THR A 96 11.364 15.524 35.821 1.00 51.28 O +ATOM 759 CB THR A 96 11.861 18.688 35.052 0.72 59.59 C +ATOM 760 OG1 THR A 96 12.258 19.584 36.096 0.72 63.65 O +ATOM 761 CG2 THR A 96 11.394 19.550 33.885 0.72 61.52 C +ATOM 762 N TYR A 97 10.558 16.129 33.788 1.00 47.10 N +ATOM 763 CA TYR A 97 10.822 14.801 33.261 1.00 43.06 C +ATOM 764 C TYR A 97 12.316 14.498 33.400 1.00 39.31 C +ATOM 765 O TYR A 97 13.153 15.404 33.294 1.00 44.71 O +ATOM 766 CB TYR A 97 10.435 14.688 31.789 1.00 45.89 C +ATOM 767 CG TYR A 97 10.542 13.282 31.235 1.00 51.92 C +ATOM 768 CD1 TYR A 97 9.453 12.418 31.306 1.00 49.48 C +ATOM 769 CD2 TYR A 97 11.719 12.826 30.635 1.00 55.60 C +ATOM 770 CE1 TYR A 97 9.549 11.137 30.797 1.00 54.55 C +ATOM 771 CE2 TYR A 97 11.828 11.548 30.133 1.00 60.56 C +ATOM 772 CZ TYR A 97 10.729 10.713 30.221 1.00 59.49 C +ATOM 773 OH TYR A 97 10.822 9.434 29.719 1.00 71.03 O +ATOM 774 N PHE A 98 12.544 13.228 33.610 1.00 38.29 N +ATOM 775 CA PHE A 98 13.830 12.559 33.664 1.00 41.58 C +ATOM 776 C PHE A 98 13.508 11.061 33.485 1.00 41.59 C +ATOM 777 O PHE A 98 12.345 10.703 33.733 1.00 44.36 O +ATOM 778 CB PHE A 98 14.634 12.879 34.918 1.00 41.27 C +ATOM 779 CG PHE A 98 14.159 12.159 36.174 1.00 43.58 C +ATOM 780 CD1 PHE A 98 13.174 12.708 36.977 1.00 43.28 C +ATOM 781 CD2 PHE A 98 14.699 10.940 36.557 1.00 45.20 C +ATOM 782 CE1 PHE A 98 12.723 12.049 38.123 1.00 43.68 C +ATOM 783 CE2 PHE A 98 14.244 10.265 37.679 1.00 45.40 C +ATOM 784 CZ PHE A 98 13.251 10.815 38.478 1.00 40.84 C +ATOM 785 OXT PHE A 98 14.455 10.378 33.064 1.00 43.90 O +TER 786 PHE A 98 +END diff --git a/bench/main_benchmark/structures/SFB_OL_SUC1_1PUCA_1SCEA/state_a.pdb b/bench/main_benchmark/structures/SFB_OL_SUC1_1PUCA_1SCEA/state_a.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3f3d3b9f009e48b0c0e2838eb357a12d672d2d43 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_SUC1_1PUCA_1SCEA/state_a.pdb @@ -0,0 +1,853 @@ +ATOM 1 N SER A 2 2.992 14.555 28.861 1.00 73.82 N +ATOM 2 CA SER A 2 4.248 14.555 29.657 1.00 72.12 C +ATOM 3 C SER A 2 3.916 14.586 31.144 1.00 68.67 C +ATOM 4 O SER A 2 3.002 15.299 31.565 1.00 67.76 O +ATOM 5 CB SER A 2 5.097 15.773 29.280 1.00 74.49 C +ATOM 6 OG SER A 2 4.267 16.903 29.049 1.00 78.14 O +ATOM 7 N LYS A 3 4.631 13.777 31.918 1.00 65.02 N +ATOM 8 CA LYS A 3 4.429 13.711 33.360 1.00 59.87 C +ATOM 9 C LYS A 3 5.690 14.236 34.041 1.00 55.27 C +ATOM 10 O LYS A 3 6.808 13.913 33.634 1.00 54.77 O +ATOM 11 CB LYS A 3 4.120 12.272 33.787 1.00 57.67 C +ATOM 12 CG LYS A 3 3.053 11.617 32.917 1.00 59.30 C +ATOM 13 CD LYS A 3 2.435 10.380 33.552 1.00 60.72 C +ATOM 14 CE LYS A 3 1.493 9.676 32.576 1.00 61.84 C +ATOM 15 NZ LYS A 3 0.682 10.643 31.773 1.00 67.00 N +ATOM 16 N SER A 4 5.506 15.078 35.050 1.00 51.03 N +ATOM 17 CA SER A 4 6.627 15.667 35.767 1.00 46.27 C +ATOM 18 C SER A 4 6.593 15.386 37.271 1.00 40.85 C +ATOM 19 O SER A 4 5.553 15.036 37.827 1.00 37.23 O +ATOM 20 CB SER A 4 6.664 17.172 35.503 1.00 45.80 C +ATOM 21 OG SER A 4 5.382 17.750 35.687 1.00 46.53 O +ATOM 22 N GLY A 5 7.750 15.524 37.912 1.00 38.75 N +ATOM 23 CA GLY A 5 7.859 15.283 39.338 1.00 36.27 C +ATOM 24 C GLY A 5 7.098 16.303 40.162 1.00 36.01 C +ATOM 25 O GLY A 5 6.954 17.462 39.765 1.00 39.35 O +ATOM 26 N VAL A 6 6.623 15.863 41.322 1.00 31.35 N +ATOM 27 CA VAL A 6 5.862 16.703 42.239 1.00 29.11 C +ATOM 28 C VAL A 6 6.818 17.242 43.311 1.00 26.82 C +ATOM 29 O VAL A 6 7.719 16.528 43.751 1.00 27.82 O +ATOM 30 CB VAL A 6 4.744 15.865 42.932 1.00 30.86 C +ATOM 31 CG1 VAL A 6 3.953 16.714 43.918 1.00 35.19 C +ATOM 32 CG2 VAL A 6 3.814 15.258 41.895 1.00 30.07 C +ATOM 33 N PRO A 7 6.686 18.528 43.686 1.00 24.32 N +ATOM 34 CA PRO A 7 7.561 19.099 44.715 1.00 23.71 C +ATOM 35 C PRO A 7 7.325 18.285 45.983 1.00 27.18 C +ATOM 36 O PRO A 7 6.196 17.861 46.245 1.00 29.78 O +ATOM 37 CB PRO A 7 7.031 20.522 44.849 1.00 24.31 C +ATOM 38 CG PRO A 7 6.561 20.826 43.471 1.00 26.43 C +ATOM 39 CD PRO A 7 5.819 19.568 43.108 1.00 26.16 C +ATOM 40 N ARG A 8 8.359 18.108 46.797 1.00 27.48 N +ATOM 41 CA ARG A 8 8.236 17.278 47.986 1.00 24.34 C +ATOM 42 C ARG A 8 9.348 17.644 48.972 1.00 25.89 C +ATOM 43 O ARG A 8 10.484 17.888 48.556 1.00 26.23 O +ATOM 44 CB ARG A 8 8.385 15.830 47.510 1.00 21.81 C +ATOM 45 CG ARG A 8 8.027 14.754 48.473 1.00 29.77 C +ATOM 46 CD ARG A 8 9.224 14.315 49.260 1.00 29.19 C +ATOM 47 NE ARG A 8 10.308 13.764 48.448 1.00 20.81 N +ATOM 48 CZ ARG A 8 11.345 13.131 48.983 1.00 19.88 C +ATOM 49 NH1 ARG A 8 11.407 12.986 50.298 1.00 21.52 N +ATOM 50 NH2 ARG A 8 12.313 12.644 48.227 1.00 18.19 N +ATOM 51 N LEU A 9 9.024 17.713 50.262 1.00 21.74 N +ATOM 52 CA LEU A 9 10.024 18.048 51.276 1.00 18.76 C +ATOM 53 C LEU A 9 10.794 16.817 51.739 1.00 17.67 C +ATOM 54 O LEU A 9 10.280 15.703 51.694 1.00 19.07 O +ATOM 55 CB LEU A 9 9.370 18.732 52.474 1.00 23.68 C +ATOM 56 CG LEU A 9 8.758 20.121 52.260 1.00 26.03 C +ATOM 57 CD1 LEU A 9 8.112 20.611 53.553 1.00 25.34 C +ATOM 58 CD2 LEU A 9 9.821 21.104 51.793 1.00 29.05 C +ATOM 59 N LEU A 10 12.028 17.027 52.190 1.00 19.15 N +ATOM 60 CA LEU A 10 12.885 15.938 52.662 1.00 18.09 C +ATOM 61 C LEU A 10 12.481 15.424 54.037 1.00 18.59 C +ATOM 62 O LEU A 10 12.048 16.192 54.894 1.00 19.95 O +ATOM 63 CB LEU A 10 14.347 16.387 52.732 1.00 17.54 C +ATOM 64 CG LEU A 10 15.039 16.872 51.459 1.00 18.90 C +ATOM 65 CD1 LEU A 10 16.458 17.261 51.804 1.00 23.51 C +ATOM 66 CD2 LEU A 10 15.034 15.783 50.405 1.00 17.73 C +ATOM 67 N THR A 11 12.634 14.121 54.246 1.00 17.09 N +ATOM 68 CA THR A 11 12.310 13.518 55.531 1.00 16.21 C +ATOM 69 C THR A 11 13.526 13.714 56.435 1.00 15.62 C +ATOM 70 O THR A 11 14.612 14.076 55.961 1.00 14.53 O +ATOM 71 CB THR A 11 12.031 11.996 55.402 1.00 17.23 C +ATOM 72 OG1 THR A 11 13.205 11.327 54.918 1.00 19.16 O +ATOM 73 CG2 THR A 11 10.862 11.732 54.462 1.00 21.12 C +ATOM 74 N ALA A 12 13.361 13.423 57.722 1.00 15.98 N +ATOM 75 CA ALA A 12 14.452 13.563 58.682 1.00 17.03 C +ATOM 76 C ALA A 12 15.708 12.791 58.273 1.00 15.30 C +ATOM 77 O ALA A 12 16.810 13.336 58.289 1.00 16.47 O +ATOM 78 CB ALA A 12 13.987 13.118 60.065 1.00 17.54 C +ATOM 79 N SER A 13 15.541 11.533 57.885 1.00 14.95 N +ATOM 80 CA SER A 13 16.680 10.709 57.490 1.00 15.80 C +ATOM 81 C SER A 13 17.364 11.220 56.227 1.00 13.80 C +ATOM 82 O SER A 13 18.592 11.196 56.124 1.00 15.63 O +ATOM 83 CB SER A 13 16.238 9.258 57.303 1.00 23.80 C +ATOM 84 OG SER A 13 15.096 9.190 56.472 1.00 36.25 O +ATOM 85 N GLU A 14 16.571 11.685 55.270 1.00 12.78 N +ATOM 86 CA GLU A 14 17.133 12.209 54.024 1.00 16.44 C +ATOM 87 C GLU A 14 17.960 13.461 54.299 1.00 17.25 C +ATOM 88 O GLU A 14 19.075 13.606 53.799 1.00 18.56 O +ATOM 89 CB GLU A 14 16.022 12.536 53.024 1.00 16.02 C +ATOM 90 CG GLU A 14 15.316 11.317 52.450 1.00 15.21 C +ATOM 91 CD GLU A 14 14.167 11.688 51.549 1.00 16.09 C +ATOM 92 OE1 GLU A 14 13.530 12.728 51.801 1.00 15.20 O +ATOM 93 OE2 GLU A 14 13.894 10.946 50.588 1.00 20.33 O +ATOM 94 N ARG A 15 17.424 14.347 55.132 1.00 15.13 N +ATOM 95 CA ARG A 15 18.116 15.582 55.466 1.00 14.74 C +ATOM 96 C ARG A 15 19.376 15.311 56.287 1.00 15.23 C +ATOM 97 O ARG A 15 20.401 15.971 56.106 1.00 13.99 O +ATOM 98 CB ARG A 15 17.170 16.526 56.217 1.00 12.97 C +ATOM 99 CG ARG A 15 17.793 17.857 56.601 1.00 18.55 C +ATOM 100 CD ARG A 15 18.353 18.597 55.395 1.00 18.40 C +ATOM 101 NE ARG A 15 18.954 19.869 55.777 1.00 17.57 N +ATOM 102 CZ ARG A 15 20.137 19.990 56.367 1.00 15.97 C +ATOM 103 NH1 ARG A 15 20.864 18.916 56.638 1.00 12.26 N +ATOM 104 NH2 ARG A 15 20.580 21.188 56.714 1.00 15.28 N +ATOM 105 N GLU A 16 19.313 14.309 57.155 1.00 17.10 N +ATOM 106 CA GLU A 16 20.448 13.970 57.998 1.00 16.24 C +ATOM 107 C GLU A 16 21.622 13.524 57.136 1.00 15.20 C +ATOM 108 O GLU A 16 22.777 13.827 57.445 1.00 13.95 O +ATOM 109 CB GLU A 16 20.056 12.878 59.002 1.00 19.65 C +ATOM 110 CG GLU A 16 20.874 12.882 60.297 1.00 24.89 C +ATOM 111 CD GLU A 16 20.673 14.140 61.146 1.00 28.20 C +ATOM 112 OE1 GLU A 16 19.584 14.753 61.086 1.00 30.12 O +ATOM 113 OE2 GLU A 16 21.608 14.506 61.888 1.00 24.17 O +ATOM 114 N ARG A 17 21.313 12.891 56.006 1.00 16.03 N +ATOM 115 CA ARG A 17 22.337 12.403 55.082 1.00 17.52 C +ATOM 116 C ARG A 17 23.145 13.506 54.399 1.00 17.16 C +ATOM 117 O ARG A 17 24.267 13.272 53.926 1.00 16.11 O +ATOM 118 CB ARG A 17 21.705 11.509 54.016 1.00 20.63 C +ATOM 119 CG ARG A 17 21.329 10.128 54.512 1.00 36.77 C +ATOM 120 CD ARG A 17 20.828 9.252 53.370 1.00 50.62 C +ATOM 121 NE ARG A 17 19.368 9.175 53.310 1.00 58.83 N +ATOM 122 CZ ARG A 17 18.637 8.301 53.997 1.00 61.86 C +ATOM 123 NH1 ARG A 17 19.220 7.421 54.803 1.00 64.19 N +ATOM 124 NH2 ARG A 17 17.317 8.299 53.873 1.00 64.18 N +ATOM 125 N LEU A 18 22.586 14.710 54.361 1.00 14.17 N +ATOM 126 CA LEU A 18 23.245 15.839 53.712 1.00 11.70 C +ATOM 127 C LEU A 18 24.201 16.614 54.612 1.00 16.27 C +ATOM 128 O LEU A 18 25.007 17.414 54.126 1.00 16.24 O +ATOM 129 CB LEU A 18 22.194 16.780 53.150 1.00 11.62 C +ATOM 130 CG LEU A 18 21.236 16.155 52.137 1.00 12.83 C +ATOM 131 CD1 LEU A 18 20.226 17.195 51.693 1.00 11.97 C +ATOM 132 CD2 LEU A 18 22.017 15.610 50.947 1.00 7.96 C +ATOM 133 N GLU A 19 24.140 16.335 55.914 1.00 18.61 N +ATOM 134 CA GLU A 19 24.975 16.996 56.919 1.00 17.74 C +ATOM 135 C GLU A 19 26.473 17.142 56.634 1.00 18.34 C +ATOM 136 O GLU A 19 27.026 18.233 56.776 1.00 20.68 O +ATOM 137 CB GLU A 19 24.763 16.344 58.289 1.00 18.64 C +ATOM 138 CG GLU A 19 23.462 16.751 58.960 1.00 20.79 C +ATOM 139 CD GLU A 19 23.470 18.204 59.403 1.00 24.04 C +ATOM 140 OE1 GLU A 19 23.983 18.489 60.501 1.00 29.32 O +ATOM 141 OE2 GLU A 19 22.974 19.066 58.653 1.00 23.75 O +ATOM 142 N PRO A 20 27.149 16.064 56.202 1.00 19.00 N +ATOM 143 CA PRO A 20 28.585 16.198 55.930 1.00 21.96 C +ATOM 144 C PRO A 20 28.971 17.137 54.777 1.00 25.79 C +ATOM 145 O PRO A 20 30.131 17.543 54.673 1.00 27.21 O +ATOM 146 CB PRO A 20 29.007 14.761 55.635 1.00 20.90 C +ATOM 147 CG PRO A 20 27.776 14.168 55.038 1.00 21.36 C +ATOM 148 CD PRO A 20 26.697 14.687 55.941 1.00 15.35 C +ATOM 149 N PHE A 21 28.004 17.512 53.943 1.00 25.25 N +ATOM 150 CA PHE A 21 28.287 18.372 52.794 1.00 24.34 C +ATOM 151 C PHE A 21 27.921 19.838 52.954 1.00 23.94 C +ATOM 152 O PHE A 21 28.528 20.698 52.322 1.00 25.50 O +ATOM 153 CB PHE A 21 27.589 17.827 51.539 1.00 21.15 C +ATOM 154 CG PHE A 21 27.772 16.356 51.337 1.00 17.28 C +ATOM 155 CD1 PHE A 21 28.985 15.847 50.892 1.00 20.36 C +ATOM 156 CD2 PHE A 21 26.736 15.476 51.618 1.00 15.09 C +ATOM 157 CE1 PHE A 21 29.165 14.479 50.731 1.00 15.22 C +ATOM 158 CE2 PHE A 21 26.903 14.111 51.460 1.00 10.89 C +ATOM 159 CZ PHE A 21 28.122 13.611 51.015 1.00 14.07 C +ATOM 160 N ILE A 22 26.945 20.125 53.803 1.00 24.44 N +ATOM 161 CA ILE A 22 26.468 21.491 54.010 1.00 25.60 C +ATOM 162 C ILE A 22 27.514 22.601 54.141 1.00 28.20 C +ATOM 163 O ILE A 22 27.400 23.634 53.490 1.00 30.80 O +ATOM 164 CB ILE A 22 25.491 21.562 55.192 1.00 23.68 C +ATOM 165 CG1 ILE A 22 24.358 20.556 54.982 1.00 29.67 C +ATOM 166 CG2 ILE A 22 24.915 22.959 55.318 1.00 19.81 C +ATOM 167 CD1 ILE A 22 23.627 20.709 53.653 1.00 32.09 C +ATOM 168 N ASP A 23 28.544 22.387 54.948 1.00 26.48 N +ATOM 169 CA ASP A 23 29.572 23.411 55.138 1.00 26.74 C +ATOM 170 C ASP A 23 30.504 23.572 53.945 1.00 23.78 C +ATOM 171 O ASP A 23 31.362 24.447 53.935 1.00 23.25 O +ATOM 172 CB ASP A 23 30.398 23.117 56.400 1.00 34.06 C +ATOM 173 CG ASP A 23 31.099 21.770 56.345 1.00 42.75 C +ATOM 174 OD1 ASP A 23 30.412 20.726 56.254 1.00 53.05 O +ATOM 175 OD2 ASP A 23 32.344 21.752 56.405 1.00 47.76 O +ATOM 176 N GLN A 24 30.342 22.721 52.945 1.00 19.49 N +ATOM 177 CA GLN A 24 31.200 22.767 51.777 1.00 17.34 C +ATOM 178 C GLN A 24 30.551 23.444 50.577 1.00 16.03 C +ATOM 179 O GLN A 24 31.154 23.533 49.510 1.00 15.62 O +ATOM 180 CB GLN A 24 31.629 21.349 51.417 1.00 24.97 C +ATOM 181 CG GLN A 24 32.425 20.651 52.523 1.00 35.95 C +ATOM 182 CD GLN A 24 33.740 21.357 52.827 1.00 51.84 C +ATOM 183 OE1 GLN A 24 34.572 21.554 51.940 1.00 62.25 O +ATOM 184 NE2 GLN A 24 33.935 21.735 54.082 1.00 54.63 N +ATOM 185 N ILE A 25 29.316 23.901 50.750 1.00 12.25 N +ATOM 186 CA ILE A 25 28.590 24.564 49.677 1.00 16.37 C +ATOM 187 C ILE A 25 29.203 25.934 49.431 1.00 17.60 C +ATOM 188 O ILE A 25 29.483 26.669 50.375 1.00 18.79 O +ATOM 189 CB ILE A 25 27.079 24.695 50.010 1.00 15.61 C +ATOM 190 CG1 ILE A 25 26.437 23.300 50.074 1.00 6.77 C +ATOM 191 CG2 ILE A 25 26.370 25.573 48.965 1.00 15.98 C +ATOM 192 CD1 ILE A 25 24.964 23.302 50.476 1.00 7.95 C +ATOM 193 N HIS A 26 29.417 26.266 48.163 1.00 16.43 N +ATOM 194 CA HIS A 26 30.009 27.548 47.789 1.00 16.84 C +ATOM 195 C HIS A 26 28.990 28.513 47.173 1.00 15.64 C +ATOM 196 O HIS A 26 28.224 28.139 46.288 1.00 17.44 O +ATOM 197 CB HIS A 26 31.175 27.308 46.823 1.00 21.47 C +ATOM 198 CG HIS A 26 31.662 28.547 46.138 1.00 35.82 C +ATOM 199 ND1 HIS A 26 32.525 29.441 46.737 1.00 42.62 N +ATOM 200 CD2 HIS A 26 31.394 29.051 44.909 1.00 42.85 C +ATOM 201 CE1 HIS A 26 32.764 30.443 45.909 1.00 47.17 C +ATOM 202 NE2 HIS A 26 32.091 30.229 44.793 1.00 46.95 N +ATOM 203 N TYR A 27 28.988 29.757 47.639 1.00 12.31 N +ATOM 204 CA TYR A 27 28.070 30.768 47.120 1.00 15.00 C +ATOM 205 C TYR A 27 28.879 31.810 46.362 1.00 16.17 C +ATOM 206 O TYR A 27 29.814 32.400 46.905 1.00 16.45 O +ATOM 207 CB TYR A 27 27.295 31.427 48.260 1.00 13.45 C +ATOM 208 CG TYR A 27 26.479 30.446 49.056 1.00 12.03 C +ATOM 209 CD1 TYR A 27 27.042 29.747 50.122 1.00 12.19 C +ATOM 210 CD2 TYR A 27 25.146 30.204 48.740 1.00 15.22 C +ATOM 211 CE1 TYR A 27 26.296 28.825 50.854 1.00 13.15 C +ATOM 212 CE2 TYR A 27 24.390 29.287 49.465 1.00 17.92 C +ATOM 213 CZ TYR A 27 24.972 28.600 50.517 1.00 16.75 C +ATOM 214 OH TYR A 27 24.231 27.670 51.204 1.00 16.37 O +ATOM 215 N SER A 28 28.537 32.019 45.098 1.00 16.23 N +ATOM 216 CA SER A 28 29.267 32.967 44.282 1.00 13.84 C +ATOM 217 C SER A 28 28.863 34.388 44.583 1.00 13.76 C +ATOM 218 O SER A 28 27.790 34.641 45.146 1.00 11.61 O +ATOM 219 CB SER A 28 28.987 32.713 42.805 1.00 15.24 C +ATOM 220 OG SER A 28 27.711 33.220 42.428 1.00 12.69 O +ATOM 221 N PRO A 29 29.731 35.345 44.226 1.00 13.94 N +ATOM 222 CA PRO A 29 29.350 36.729 44.482 1.00 14.73 C +ATOM 223 C PRO A 29 28.184 37.016 43.534 1.00 18.48 C +ATOM 224 O PRO A 29 27.941 36.266 42.579 1.00 16.67 O +ATOM 225 CB PRO A 29 30.612 37.506 44.098 1.00 17.75 C +ATOM 226 CG PRO A 29 31.280 36.629 43.092 1.00 18.47 C +ATOM 227 CD PRO A 29 31.103 35.263 43.701 1.00 13.76 C +ATOM 228 N ARG A 30 27.434 38.065 43.830 1.00 20.46 N +ATOM 229 CA ARG A 30 26.296 38.425 43.007 1.00 22.61 C +ATOM 230 C ARG A 30 26.721 39.303 41.832 1.00 22.89 C +ATOM 231 O ARG A 30 27.666 40.088 41.941 1.00 23.44 O +ATOM 232 CB ARG A 30 25.258 39.167 43.857 1.00 26.95 C +ATOM 233 CG ARG A 30 24.861 38.448 45.145 1.00 25.46 C +ATOM 234 CD ARG A 30 23.985 39.331 46.001 1.00 29.72 C +ATOM 235 NE ARG A 30 24.573 40.656 46.164 1.00 41.33 N +ATOM 236 CZ ARG A 30 23.911 41.726 46.599 1.00 51.47 C +ATOM 237 NH1 ARG A 30 22.628 41.638 46.928 1.00 55.89 N +ATOM 238 NH2 ARG A 30 24.519 42.903 46.651 1.00 55.46 N +ATOM 239 N TYR A 31 26.057 39.111 40.698 1.00 20.10 N +ATOM 240 CA TYR A 31 26.289 39.902 39.499 1.00 18.49 C +ATOM 241 C TYR A 31 24.893 40.308 39.047 1.00 21.39 C +ATOM 242 O TYR A 31 23.909 39.744 39.521 1.00 22.31 O +ATOM 243 CB TYR A 31 27.064 39.124 38.416 1.00 16.82 C +ATOM 244 CG TYR A 31 26.722 37.656 38.269 1.00 16.63 C +ATOM 245 CD1 TYR A 31 27.279 36.709 39.125 1.00 21.72 C +ATOM 246 CD2 TYR A 31 25.863 37.209 37.264 1.00 16.37 C +ATOM 247 CE1 TYR A 31 26.994 35.354 38.990 1.00 19.85 C +ATOM 248 CE2 TYR A 31 25.569 35.846 37.120 1.00 18.66 C +ATOM 249 CZ TYR A 31 26.139 34.924 37.988 1.00 20.35 C +ATOM 250 OH TYR A 31 25.860 33.573 37.870 1.00 17.46 O +ATOM 251 N ALA A 32 24.777 41.310 38.185 1.00 22.86 N +ATOM 252 CA ALA A 32 23.451 41.736 37.779 1.00 24.61 C +ATOM 253 C ALA A 32 23.367 42.430 36.438 1.00 26.46 C +ATOM 254 O ALA A 32 24.383 42.752 35.816 1.00 26.99 O +ATOM 255 CB ALA A 32 22.861 42.652 38.853 1.00 26.99 C +ATOM 256 N ASP A 33 22.133 42.606 35.981 1.00 25.80 N +ATOM 257 CA ASP A 33 21.865 43.318 34.747 1.00 28.15 C +ATOM 258 C ASP A 33 20.862 44.416 35.085 1.00 31.60 C +ATOM 259 O ASP A 33 20.809 44.880 36.225 1.00 31.15 O +ATOM 260 CB ASP A 33 21.395 42.392 33.599 1.00 22.20 C +ATOM 261 CG ASP A 33 20.132 41.595 33.920 1.00 22.73 C +ATOM 262 OD1 ASP A 33 19.310 41.998 34.773 1.00 26.55 O +ATOM 263 OD2 ASP A 33 19.949 40.546 33.274 1.00 24.80 O +ATOM 264 N ASP A 34 20.036 44.788 34.120 1.00 35.34 N +ATOM 265 CA ASP A 34 19.059 45.850 34.310 1.00 40.46 C +ATOM 266 C ASP A 34 17.992 45.587 35.369 1.00 39.28 C +ATOM 267 O ASP A 34 17.757 46.418 36.241 1.00 40.80 O +ATOM 268 CB ASP A 34 18.371 46.162 32.975 1.00 51.79 C +ATOM 269 CG ASP A 34 19.352 46.247 31.817 1.00 59.87 C +ATOM 270 OD1 ASP A 34 19.997 47.309 31.657 1.00 61.96 O +ATOM 271 OD2 ASP A 34 19.477 45.243 31.076 1.00 62.13 O +ATOM 272 N GLU A 35 17.342 44.435 35.293 1.00 37.79 N +ATOM 273 CA GLU A 35 16.272 44.147 36.233 1.00 38.85 C +ATOM 274 C GLU A 35 16.464 42.990 37.206 1.00 34.69 C +ATOM 275 O GLU A 35 15.628 42.783 38.086 1.00 34.57 O +ATOM 276 CB GLU A 35 14.956 43.973 35.470 1.00 48.07 C +ATOM 277 CG GLU A 35 15.003 42.936 34.356 1.00 62.99 C +ATOM 278 CD GLU A 35 13.638 42.686 33.729 1.00 78.11 C +ATOM 279 OE1 GLU A 35 12.726 42.197 34.438 1.00 80.82 O +ATOM 280 OE2 GLU A 35 13.476 42.972 32.523 1.00 84.78 O +ATOM 281 N TYR A 36 17.563 42.257 37.078 1.00 32.35 N +ATOM 282 CA TYR A 36 17.809 41.117 37.957 1.00 27.06 C +ATOM 283 C TYR A 36 19.211 40.997 38.506 1.00 22.01 C +ATOM 284 O TYR A 36 20.175 41.431 37.874 1.00 18.34 O +ATOM 285 CB TYR A 36 17.509 39.801 37.225 1.00 26.67 C +ATOM 286 CG TYR A 36 16.041 39.529 36.989 1.00 27.54 C +ATOM 287 CD1 TYR A 36 15.256 38.942 37.973 1.00 29.51 C +ATOM 288 CD2 TYR A 36 15.442 39.852 35.779 1.00 30.85 C +ATOM 289 CE1 TYR A 36 13.915 38.688 37.759 1.00 35.45 C +ATOM 290 CE2 TYR A 36 14.101 39.602 35.556 1.00 36.98 C +ATOM 291 CZ TYR A 36 13.343 39.020 36.549 1.00 40.07 C +ATOM 292 OH TYR A 36 12.007 38.772 36.330 1.00 45.00 O +ATOM 293 N GLU A 37 19.238 40.399 39.685 1.00 19.66 N +ATOM 294 CA GLU A 37 20.451 40.025 40.368 1.00 16.53 C +ATOM 295 C GLU A 37 20.635 38.534 40.158 1.00 13.35 C +ATOM 296 O GLU A 37 19.660 37.788 40.094 1.00 13.88 O +ATOM 297 CB GLU A 37 20.346 40.333 41.867 1.00 19.95 C +ATOM 298 CG GLU A 37 20.644 41.767 42.267 1.00 28.84 C +ATOM 299 CD GLU A 37 20.897 41.893 43.759 1.00 35.08 C +ATOM 300 OE1 GLU A 37 22.045 41.646 44.188 1.00 33.59 O +ATOM 301 OE2 GLU A 37 19.950 42.230 44.501 1.00 42.42 O +ATOM 302 N TYR A 38 21.854 38.069 40.034 1.00 10.73 N +ATOM 303 CA TYR A 38 22.073 36.642 39.845 1.00 10.74 C +ATOM 304 C TYR A 38 23.202 36.148 40.727 1.00 11.00 C +ATOM 305 O TYR A 38 23.998 36.929 41.238 1.00 15.77 O +ATOM 306 CB TYR A 38 22.476 36.324 38.399 1.00 11.01 C +ATOM 307 CG TYR A 38 21.556 36.866 37.334 1.00 15.44 C +ATOM 308 CD1 TYR A 38 21.675 38.175 36.882 1.00 16.76 C +ATOM 309 CD2 TYR A 38 20.580 36.061 36.774 1.00 17.91 C +ATOM 310 CE1 TYR A 38 20.835 38.666 35.900 1.00 22.25 C +ATOM 311 CE2 TYR A 38 19.735 36.542 35.794 1.00 23.20 C +ATOM 312 CZ TYR A 38 19.866 37.845 35.361 1.00 19.73 C +ATOM 313 OH TYR A 38 19.022 38.325 34.387 1.00 23.77 O +ATOM 314 N ARG A 39 23.277 34.836 40.872 1.00 9.75 N +ATOM 315 CA ARG A 39 24.350 34.185 41.605 1.00 9.63 C +ATOM 316 C ARG A 39 24.191 32.698 41.313 1.00 11.17 C +ATOM 317 O ARG A 39 23.157 32.263 40.797 1.00 14.79 O +ATOM 318 CB ARG A 39 24.286 34.486 43.115 1.00 12.18 C +ATOM 319 CG ARG A 39 23.344 33.619 43.939 1.00 11.66 C +ATOM 320 CD ARG A 39 24.136 32.766 44.924 1.00 17.47 C +ATOM 321 NE ARG A 39 25.009 33.584 45.759 1.00 22.21 N +ATOM 322 CZ ARG A 39 24.603 34.295 46.809 1.00 19.02 C +ATOM 323 NH1 ARG A 39 23.327 34.288 47.178 1.00 16.30 N +ATOM 324 NH2 ARG A 39 25.469 35.065 47.455 1.00 24.32 N +ATOM 325 N HIS A 40 25.255 31.942 41.493 1.00 11.96 N +ATOM 326 CA HIS A 40 25.173 30.512 41.281 1.00 13.47 C +ATOM 327 C HIS A 40 25.732 29.836 42.531 1.00 14.52 C +ATOM 328 O HIS A 40 26.583 30.408 43.220 1.00 13.88 O +ATOM 329 CB HIS A 40 25.914 30.089 40.011 1.00 12.24 C +ATOM 330 CG HIS A 40 27.317 30.599 39.917 1.00 16.00 C +ATOM 331 ND1 HIS A 40 27.629 31.814 39.351 1.00 18.77 N +ATOM 332 CD2 HIS A 40 28.496 30.032 40.267 1.00 17.25 C +ATOM 333 CE1 HIS A 40 28.941 31.977 39.352 1.00 18.68 C +ATOM 334 NE2 HIS A 40 29.489 30.909 39.901 1.00 20.25 N +ATOM 335 N VAL A 41 25.199 28.663 42.854 1.00 13.35 N +ATOM 336 CA VAL A 41 25.609 27.899 44.028 1.00 12.23 C +ATOM 337 C VAL A 41 26.269 26.618 43.544 1.00 14.11 C +ATOM 338 O VAL A 41 25.733 25.937 42.668 1.00 14.88 O +ATOM 339 CB VAL A 41 24.382 27.543 44.896 1.00 12.73 C +ATOM 340 CG1 VAL A 41 24.781 26.660 46.066 1.00 16.62 C +ATOM 341 CG2 VAL A 41 23.718 28.817 45.399 1.00 12.72 C +ATOM 342 N MET A 42 27.444 26.308 44.082 1.00 12.26 N +ATOM 343 CA MET A 42 28.160 25.099 43.688 1.00 13.69 C +ATOM 344 C MET A 42 28.223 24.075 44.810 1.00 15.14 C +ATOM 345 O MET A 42 28.880 24.297 45.830 1.00 16.64 O +ATOM 346 CB MET A 42 29.570 25.441 43.226 1.00 18.17 C +ATOM 347 CG MET A 42 29.621 26.294 41.971 1.00 29.51 C +ATOM 348 SD MET A 42 31.306 26.602 41.416 1.00 45.44 S +ATOM 349 CE MET A 42 32.091 25.048 41.841 1.00 39.51 C +ATOM 350 N LEU A 43 27.522 22.963 44.625 1.00 13.64 N +ATOM 351 CA LEU A 43 27.500 21.898 45.615 1.00 13.24 C +ATOM 352 C LEU A 43 28.677 20.965 45.394 1.00 16.58 C +ATOM 353 O LEU A 43 29.196 20.847 44.269 1.00 15.28 O +ATOM 354 CB LEU A 43 26.221 21.070 45.482 1.00 13.04 C +ATOM 355 CG LEU A 43 24.859 21.749 45.349 1.00 14.33 C +ATOM 356 CD1 LEU A 43 23.800 20.678 45.107 1.00 12.37 C +ATOM 357 CD2 LEU A 43 24.531 22.553 46.591 1.00 12.92 C +ATOM 358 N PRO A 44 29.176 20.347 46.479 1.00 16.12 N +ATOM 359 CA PRO A 44 30.295 19.420 46.289 1.00 15.16 C +ATOM 360 C PRO A 44 29.699 18.270 45.476 1.00 13.95 C +ATOM 361 O PRO A 44 28.543 17.891 45.693 1.00 12.71 O +ATOM 362 CB PRO A 44 30.644 19.005 47.728 1.00 18.16 C +ATOM 363 CG PRO A 44 29.373 19.236 48.491 1.00 19.84 C +ATOM 364 CD PRO A 44 28.863 20.520 47.904 1.00 15.46 C +ATOM 365 N LYS A 45 30.436 17.775 44.488 1.00 13.92 N +ATOM 366 CA LYS A 45 29.934 16.693 43.639 1.00 16.50 C +ATOM 367 C LYS A 45 29.461 15.458 44.409 1.00 15.34 C +ATOM 368 O LYS A 45 28.514 14.799 44.004 1.00 14.56 O +ATOM 369 CB LYS A 45 30.990 16.293 42.607 1.00 19.52 C +ATOM 370 CG LYS A 45 31.356 17.394 41.634 1.00 21.60 C +ATOM 371 CD LYS A 45 32.494 16.947 40.736 1.00 30.46 C +ATOM 372 CE LYS A 45 32.915 18.046 39.771 1.00 36.97 C +ATOM 373 NZ LYS A 45 34.090 17.635 38.946 1.00 39.14 N +ATOM 374 N ALA A 46 30.117 15.161 45.527 1.00 17.57 N +ATOM 375 CA ALA A 46 29.754 14.010 46.356 1.00 18.97 C +ATOM 376 C ALA A 46 28.332 14.139 46.906 1.00 19.33 C +ATOM 377 O ALA A 46 27.650 13.136 47.135 1.00 19.13 O +ATOM 378 CB ALA A 46 30.750 13.858 47.514 1.00 17.08 C +ATOM 379 N MET A 47 27.883 15.378 47.094 1.00 16.55 N +ATOM 380 CA MET A 47 26.552 15.643 47.625 1.00 12.87 C +ATOM 381 C MET A 47 25.422 15.179 46.717 1.00 13.76 C +ATOM 382 O MET A 47 24.375 14.763 47.207 1.00 15.20 O +ATOM 383 CB MET A 47 26.387 17.130 47.931 1.00 10.51 C +ATOM 384 CG MET A 47 25.040 17.496 48.541 1.00 14.52 C +ATOM 385 SD MET A 47 24.970 19.208 49.057 1.00 17.30 S +ATOM 386 CE MET A 47 23.233 19.390 49.385 1.00 17.24 C +ATOM 387 N LEU A 48 25.633 15.223 45.402 1.00 13.72 N +ATOM 388 CA LEU A 48 24.599 14.814 44.455 1.00 13.43 C +ATOM 389 C LEU A 48 24.152 13.363 44.643 1.00 17.17 C +ATOM 390 O LEU A 48 22.972 13.052 44.480 1.00 21.45 O +ATOM 391 CB LEU A 48 25.067 15.035 43.016 1.00 14.79 C +ATOM 392 CG LEU A 48 25.379 16.470 42.578 1.00 11.64 C +ATOM 393 CD1 LEU A 48 25.882 16.462 41.155 1.00 18.20 C +ATOM 394 CD2 LEU A 48 24.146 17.332 42.686 1.00 18.34 C +ATOM 395 N LYS A 49 25.085 12.491 45.020 1.00 15.63 N +ATOM 396 CA LYS A 49 24.780 11.075 45.241 1.00 19.48 C +ATOM 397 C LYS A 49 23.925 10.856 46.488 1.00 22.71 C +ATOM 398 O LYS A 49 23.391 9.765 46.689 1.00 25.21 O +ATOM 399 CB LYS A 49 26.071 10.267 45.389 1.00 23.74 C +ATOM 400 CG LYS A 49 27.007 10.336 44.196 1.00 36.72 C +ATOM 401 CD LYS A 49 28.327 9.636 44.509 1.00 47.14 C +ATOM 402 CE LYS A 49 29.261 9.589 43.299 1.00 53.05 C +ATOM 403 NZ LYS A 49 29.612 10.944 42.779 1.00 59.14 N +ATOM 404 N ALA A 50 23.837 11.877 47.339 1.00 21.41 N +ATOM 405 CA ALA A 50 23.065 11.804 48.580 1.00 18.65 C +ATOM 406 C ALA A 50 21.674 12.423 48.456 1.00 19.59 C +ATOM 407 O ALA A 50 20.813 12.227 49.318 1.00 22.34 O +ATOM 408 CB ALA A 50 23.838 12.479 49.712 1.00 16.16 C +ATOM 409 N ILE A 51 21.458 13.180 47.390 1.00 15.37 N +ATOM 410 CA ILE A 51 20.176 13.833 47.167 1.00 14.04 C +ATOM 411 C ILE A 51 19.188 12.815 46.592 1.00 15.40 C +ATOM 412 O ILE A 51 19.576 11.949 45.814 1.00 17.24 O +ATOM 413 CB ILE A 51 20.353 15.040 46.205 1.00 14.97 C +ATOM 414 CG1 ILE A 51 21.161 16.142 46.903 1.00 14.84 C +ATOM 415 CG2 ILE A 51 19.004 15.554 45.716 1.00 13.32 C +ATOM 416 CD1 ILE A 51 21.511 17.331 46.019 1.00 15.05 C +ATOM 417 N PRO A 52 17.912 12.860 47.029 1.00 16.47 N +ATOM 418 CA PRO A 52 16.880 11.935 46.541 1.00 15.77 C +ATOM 419 C PRO A 52 16.735 11.994 45.018 1.00 16.44 C +ATOM 420 O PRO A 52 16.663 13.075 44.431 1.00 14.37 O +ATOM 421 CB PRO A 52 15.622 12.441 47.239 1.00 15.22 C +ATOM 422 CG PRO A 52 16.153 12.934 48.552 1.00 16.14 C +ATOM 423 CD PRO A 52 17.382 13.701 48.121 1.00 14.54 C +ATOM 424 N THR A 53 16.649 10.831 44.386 1.00 18.55 N +ATOM 425 CA THR A 53 16.529 10.758 42.932 1.00 20.12 C +ATOM 426 C THR A 53 15.371 11.547 42.325 1.00 17.19 C +ATOM 427 O THR A 53 15.470 12.021 41.195 1.00 16.17 O +ATOM 428 CB THR A 53 16.459 9.294 42.449 1.00 24.24 C +ATOM 429 OG1 THR A 53 15.525 8.566 43.255 1.00 34.49 O +ATOM 430 CG2 THR A 53 17.817 8.643 42.552 1.00 29.08 C +ATOM 431 N ASP A 54 14.284 11.712 43.076 1.00 15.44 N +ATOM 432 CA ASP A 54 13.126 12.449 42.570 1.00 15.41 C +ATOM 433 C ASP A 54 13.323 13.963 42.507 1.00 16.67 C +ATOM 434 O ASP A 54 12.422 14.698 42.114 1.00 15.53 O +ATOM 435 CB ASP A 54 11.853 12.080 43.343 1.00 16.58 C +ATOM 436 CG ASP A 54 11.940 12.393 44.830 1.00 17.19 C +ATOM 437 OD1 ASP A 54 12.862 11.900 45.511 1.00 18.92 O +ATOM 438 OD2 ASP A 54 11.047 13.107 45.325 1.00 19.73 O +ATOM 439 N TYR A 55 14.499 14.417 42.926 1.00 19.26 N +ATOM 440 CA TYR A 55 14.853 15.834 42.891 1.00 18.32 C +ATOM 441 C TYR A 55 15.544 16.141 41.562 1.00 17.35 C +ATOM 442 O TYR A 55 15.816 17.301 41.240 1.00 18.06 O +ATOM 443 CB TYR A 55 15.790 16.181 44.057 1.00 16.68 C +ATOM 444 CG TYR A 55 15.067 16.762 45.253 1.00 12.56 C +ATOM 445 CD1 TYR A 55 13.927 16.150 45.772 1.00 11.92 C +ATOM 446 CD2 TYR A 55 15.492 17.958 45.829 1.00 20.94 C +ATOM 447 CE1 TYR A 55 13.220 16.724 46.837 1.00 19.90 C +ATOM 448 CE2 TYR A 55 14.796 18.539 46.890 1.00 19.53 C +ATOM 449 CZ TYR A 55 13.664 17.920 47.388 1.00 22.21 C +ATOM 450 OH TYR A 55 12.973 18.507 48.424 1.00 21.84 O +ATOM 451 N PHE A 56 15.856 15.089 40.809 1.00 16.98 N +ATOM 452 CA PHE A 56 16.519 15.236 39.521 1.00 17.89 C +ATOM 453 C PHE A 56 15.551 15.118 38.367 1.00 18.51 C +ATOM 454 O PHE A 56 14.540 14.420 38.463 1.00 18.63 O +ATOM 455 CB PHE A 56 17.598 14.165 39.329 1.00 18.72 C +ATOM 456 CG PHE A 56 18.800 14.344 40.210 1.00 17.56 C +ATOM 457 CD1 PHE A 56 18.843 13.772 41.471 1.00 16.86 C +ATOM 458 CD2 PHE A 56 19.887 15.083 39.776 1.00 19.31 C +ATOM 459 CE1 PHE A 56 19.950 13.935 42.284 1.00 21.27 C +ATOM 460 CE2 PHE A 56 20.996 15.250 40.584 1.00 21.46 C +ATOM 461 CZ PHE A 56 21.028 14.675 41.839 1.00 23.14 C +ATOM 462 N ASN A 57 15.877 15.818 37.301 1.00 21.21 N +ATOM 463 CA ASN A 57 15.140 15.715 36.066 1.00 26.44 C +ATOM 464 C ASN A 57 15.844 14.648 35.248 1.00 28.25 C +ATOM 465 O ASN A 57 17.003 14.812 34.872 1.00 28.55 O +ATOM 466 CB ASN A 57 15.077 17.088 35.389 1.00 31.93 C +ATOM 467 CG ASN A 57 14.347 17.068 34.061 1.00 41.74 C +ATOM 468 OD1 ASN A 57 14.327 16.052 33.368 1.00 42.92 O +ATOM 469 ND2 ASN A 57 13.746 18.197 33.700 1.00 45.23 N +ATOM 470 N PRO A 58 15.172 13.538 34.951 1.00 30.24 N +ATOM 471 CA PRO A 58 15.800 12.401 34.274 1.00 33.36 C +ATOM 472 C PRO A 58 16.175 12.753 32.834 1.00 36.44 C +ATOM 473 O PRO A 58 17.133 12.210 32.288 1.00 36.30 O +ATOM 474 CB PRO A 58 14.657 11.395 34.117 1.00 30.05 C +ATOM 475 CG PRO A 58 13.647 11.813 35.119 1.00 34.10 C +ATOM 476 CD PRO A 58 13.750 13.303 35.219 1.00 31.12 C +ATOM 477 N GLU A 59 15.444 13.688 32.238 1.00 40.38 N +ATOM 478 CA GLU A 59 15.710 14.096 30.864 1.00 45.79 C +ATOM 479 C GLU A 59 16.936 14.993 30.723 1.00 46.07 C +ATOM 480 O GLU A 59 17.632 14.951 29.709 1.00 48.98 O +ATOM 481 CB GLU A 59 14.494 14.811 30.273 1.00 52.61 C +ATOM 482 CG GLU A 59 13.249 13.944 30.163 1.00 66.52 C +ATOM 483 CD GLU A 59 12.138 14.624 29.385 1.00 75.49 C +ATOM 484 OE1 GLU A 59 11.732 15.745 29.767 1.00 76.10 O +ATOM 485 OE2 GLU A 59 11.677 14.036 28.383 1.00 81.00 O +ATOM 486 N THR A 60 17.197 15.807 31.738 1.00 41.87 N +ATOM 487 CA THR A 60 18.327 16.722 31.691 1.00 38.53 C +ATOM 488 C THR A 60 19.539 16.259 32.486 1.00 38.21 C +ATOM 489 O THR A 60 20.666 16.681 32.214 1.00 38.22 O +ATOM 490 CB THR A 60 17.908 18.095 32.198 1.00 40.13 C +ATOM 491 OG1 THR A 60 17.366 17.963 33.516 1.00 46.22 O +ATOM 492 CG2 THR A 60 16.846 18.683 31.295 1.00 39.77 C +ATOM 493 N GLY A 61 19.304 15.408 33.482 1.00 36.66 N +ATOM 494 CA GLY A 61 20.386 14.922 34.323 1.00 32.47 C +ATOM 495 C GLY A 61 20.677 15.898 35.454 1.00 30.12 C +ATOM 496 O GLY A 61 21.402 15.585 36.397 1.00 30.07 O +ATOM 497 N THR A 62 20.092 17.086 35.362 1.00 28.13 N +ATOM 498 CA THR A 62 20.282 18.119 36.366 1.00 26.13 C +ATOM 499 C THR A 62 19.126 18.078 37.366 1.00 23.75 C +ATOM 500 O THR A 62 18.194 17.285 37.220 1.00 20.17 O +ATOM 501 CB THR A 62 20.308 19.524 35.714 1.00 25.92 C +ATOM 502 OG1 THR A 62 19.061 19.766 35.054 1.00 24.62 O +ATOM 503 CG2 THR A 62 21.454 19.643 34.701 1.00 22.57 C +ATOM 504 N LEU A 63 19.203 18.920 38.394 1.00 21.82 N +ATOM 505 CA LEU A 63 18.142 19.012 39.388 1.00 20.79 C +ATOM 506 C LEU A 63 16.979 19.728 38.731 1.00 18.26 C +ATOM 507 O LEU A 63 17.179 20.594 37.879 1.00 19.97 O +ATOM 508 CB LEU A 63 18.598 19.830 40.607 1.00 19.91 C +ATOM 509 CG LEU A 63 19.554 19.185 41.610 1.00 20.63 C +ATOM 510 CD1 LEU A 63 19.967 20.203 42.660 1.00 21.98 C +ATOM 511 CD2 LEU A 63 18.870 18.000 42.266 1.00 21.39 C +ATOM 512 N ARG A 64 15.760 19.351 39.088 1.00 15.52 N +ATOM 513 CA ARG A 64 14.601 20.027 38.536 1.00 15.41 C +ATOM 514 C ARG A 64 14.485 21.358 39.266 1.00 15.49 C +ATOM 515 O ARG A 64 15.140 21.561 40.287 1.00 15.54 O +ATOM 516 CB ARG A 64 13.346 19.180 38.736 1.00 17.84 C +ATOM 517 CG ARG A 64 13.069 18.808 40.161 1.00 18.27 C +ATOM 518 CD ARG A 64 11.826 17.952 40.266 1.00 21.12 C +ATOM 519 NE ARG A 64 11.508 17.628 41.653 1.00 21.14 N +ATOM 520 CZ ARG A 64 10.954 18.475 42.515 1.00 26.50 C +ATOM 521 NH1 ARG A 64 10.649 19.715 42.151 1.00 27.48 N +ATOM 522 NH2 ARG A 64 10.677 18.068 43.740 1.00 32.08 N +ATOM 523 N ILE A 65 13.714 22.285 38.705 1.00 14.94 N +ATOM 524 CA ILE A 65 13.539 23.592 39.326 1.00 15.95 C +ATOM 525 C ILE A 65 12.901 23.372 40.678 1.00 18.05 C +ATOM 526 O ILE A 65 11.784 22.863 40.773 1.00 18.99 O +ATOM 527 CB ILE A 65 12.646 24.529 38.491 1.00 19.91 C +ATOM 528 CG1 ILE A 65 13.284 24.771 37.123 1.00 23.21 C +ATOM 529 CG2 ILE A 65 12.468 25.864 39.209 1.00 19.87 C +ATOM 530 CD1 ILE A 65 14.621 25.484 37.194 1.00 26.12 C +ATOM 531 N LEU A 66 13.634 23.730 41.720 1.00 16.49 N +ATOM 532 CA LEU A 66 13.161 23.548 43.076 1.00 14.89 C +ATOM 533 C LEU A 66 12.497 24.801 43.597 1.00 12.93 C +ATOM 534 O LEU A 66 12.903 25.918 43.277 1.00 13.30 O +ATOM 535 CB LEU A 66 14.331 23.172 43.992 1.00 13.47 C +ATOM 536 CG LEU A 66 15.177 21.957 43.588 1.00 15.67 C +ATOM 537 CD1 LEU A 66 16.431 21.857 44.442 1.00 10.31 C +ATOM 538 CD2 LEU A 66 14.353 20.688 43.691 1.00 16.29 C +ATOM 539 N GLN A 67 11.444 24.607 44.380 1.00 14.58 N +ATOM 540 CA GLN A 67 10.737 25.716 45.004 1.00 14.19 C +ATOM 541 C GLN A 67 11.605 26.146 46.196 1.00 14.04 C +ATOM 542 O GLN A 67 12.481 25.397 46.625 1.00 11.13 O +ATOM 543 CB GLN A 67 9.352 25.266 45.466 1.00 20.08 C +ATOM 544 CG GLN A 67 8.454 24.787 44.335 1.00 26.96 C +ATOM 545 CD GLN A 67 7.054 24.410 44.792 1.00 39.24 C +ATOM 546 OE1 GLN A 67 6.189 24.117 43.974 1.00 45.37 O +ATOM 547 NE2 GLN A 67 6.827 24.409 46.102 1.00 45.43 N +ATOM 548 N GLU A 68 11.361 27.337 46.732 1.00 15.26 N +ATOM 549 CA GLU A 68 12.158 27.846 47.842 1.00 15.52 C +ATOM 550 C GLU A 68 12.306 26.858 49.004 1.00 15.24 C +ATOM 551 O GLU A 68 13.413 26.586 49.444 1.00 16.61 O +ATOM 552 CB GLU A 68 11.607 29.188 48.321 1.00 16.64 C +ATOM 553 CG GLU A 68 12.489 29.894 49.330 1.00 26.61 C +ATOM 554 CD GLU A 68 12.006 31.296 49.671 1.00 36.14 C +ATOM 555 OE1 GLU A 68 10.817 31.609 49.436 1.00 40.43 O +ATOM 556 OE2 GLU A 68 12.824 32.089 50.183 1.00 48.61 O +ATOM 557 N GLU A 69 11.195 26.292 49.464 1.00 17.83 N +ATOM 558 CA GLU A 69 11.223 25.331 50.565 1.00 20.83 C +ATOM 559 C GLU A 69 12.077 24.120 50.251 1.00 18.19 C +ATOM 560 O GLU A 69 12.663 23.522 51.149 1.00 17.99 O +ATOM 561 CB GLU A 69 9.808 24.868 50.923 1.00 30.78 C +ATOM 562 CG GLU A 69 9.099 25.771 51.919 1.00 53.62 C +ATOM 563 CD GLU A 69 9.800 25.806 53.274 1.00 69.69 C +ATOM 564 OE1 GLU A 69 9.519 24.918 54.113 1.00 72.36 O +ATOM 565 OE2 GLU A 69 10.634 26.717 53.495 1.00 74.56 O +ATOM 566 N GLU A 70 12.156 23.776 48.971 1.00 15.92 N +ATOM 567 CA GLU A 70 12.940 22.630 48.536 1.00 14.27 C +ATOM 568 C GLU A 70 14.437 22.901 48.563 1.00 13.02 C +ATOM 569 O GLU A 70 15.197 22.100 49.117 1.00 12.64 O +ATOM 570 CB GLU A 70 12.504 22.163 47.138 1.00 13.73 C +ATOM 571 CG GLU A 70 11.038 21.744 47.071 1.00 17.90 C +ATOM 572 CD GLU A 70 10.661 21.127 45.744 1.00 25.61 C +ATOM 573 OE1 GLU A 70 10.464 21.876 44.770 1.00 27.93 O +ATOM 574 OE2 GLU A 70 10.546 19.890 45.679 1.00 28.06 O +ATOM 575 N TRP A 71 14.882 24.017 47.980 1.00 11.33 N +ATOM 576 CA TRP A 71 16.316 24.276 48.009 1.00 9.99 C +ATOM 577 C TRP A 71 16.841 24.659 49.396 1.00 12.18 C +ATOM 578 O TRP A 71 17.946 24.261 49.765 1.00 12.74 O +ATOM 579 CB TRP A 71 16.800 25.217 46.886 1.00 10.32 C +ATOM 580 CG TRP A 71 16.173 26.572 46.783 1.00 8.04 C +ATOM 581 CD1 TRP A 71 15.228 26.966 45.883 1.00 7.24 C +ATOM 582 CD2 TRP A 71 16.519 27.739 47.541 1.00 10.35 C +ATOM 583 NE1 TRP A 71 14.964 28.307 46.028 1.00 9.99 N +ATOM 584 CE2 TRP A 71 15.743 28.807 47.040 1.00 7.21 C +ATOM 585 CE3 TRP A 71 17.413 27.990 48.593 1.00 13.57 C +ATOM 586 CZ2 TRP A 71 15.829 30.102 47.552 1.00 10.92 C +ATOM 587 CZ3 TRP A 71 17.499 29.282 49.105 1.00 10.47 C +ATOM 588 CH2 TRP A 71 16.711 30.319 48.582 1.00 9.10 C +ATOM 589 N ARG A 72 16.029 25.354 50.194 1.00 11.52 N +ATOM 590 CA ARG A 72 16.457 25.709 51.544 1.00 11.17 C +ATOM 591 C ARG A 72 16.528 24.397 52.326 1.00 13.64 C +ATOM 592 O ARG A 72 17.448 24.183 53.120 1.00 14.06 O +ATOM 593 CB ARG A 72 15.481 26.695 52.203 1.00 9.50 C +ATOM 594 CG ARG A 72 15.481 28.077 51.559 1.00 17.49 C +ATOM 595 CD ARG A 72 14.811 29.142 52.427 1.00 16.96 C +ATOM 596 NE ARG A 72 14.791 30.458 51.780 1.00 23.90 N +ATOM 597 CZ ARG A 72 15.749 31.379 51.890 1.00 22.58 C +ATOM 598 NH1 ARG A 72 16.827 31.143 52.630 1.00 22.37 N +ATOM 599 NH2 ARG A 72 15.636 32.537 51.247 1.00 23.30 N +ATOM 600 N GLY A 73 15.616 23.480 52.008 1.00 14.06 N +ATOM 601 CA GLY A 73 15.591 22.181 52.663 1.00 13.82 C +ATOM 602 C GLY A 73 16.827 21.339 52.382 1.00 15.55 C +ATOM 603 O GLY A 73 17.125 20.400 53.120 1.00 15.58 O +ATOM 604 N LEU A 74 17.534 21.651 51.300 1.00 14.90 N +ATOM 605 CA LEU A 74 18.746 20.921 50.949 1.00 14.15 C +ATOM 606 C LEU A 74 19.943 21.427 51.732 1.00 16.28 C +ATOM 607 O LEU A 74 21.026 20.845 51.648 1.00 18.81 O +ATOM 608 CB LEU A 74 19.055 21.059 49.456 1.00 11.00 C +ATOM 609 CG LEU A 74 18.224 20.274 48.437 1.00 11.18 C +ATOM 610 CD1 LEU A 74 18.760 20.575 47.042 1.00 6.63 C +ATOM 611 CD2 LEU A 74 18.322 18.783 48.726 1.00 11.97 C +ATOM 612 N GLY A 75 19.764 22.528 52.458 1.00 15.72 N +ATOM 613 CA GLY A 75 20.862 23.090 53.225 1.00 13.51 C +ATOM 614 C GLY A 75 21.433 24.337 52.571 1.00 15.89 C +ATOM 615 O GLY A 75 22.446 24.879 53.028 1.00 17.76 O +ATOM 616 N ILE A 76 20.816 24.768 51.473 1.00 14.59 N +ATOM 617 CA ILE A 76 21.252 25.966 50.759 1.00 13.46 C +ATOM 618 C ILE A 76 20.659 27.182 51.482 1.00 11.98 C +ATOM 619 O ILE A 76 19.438 27.299 51.626 1.00 13.78 O +ATOM 620 CB ILE A 76 20.755 25.953 49.288 1.00 13.99 C +ATOM 621 CG1 ILE A 76 21.271 24.700 48.570 1.00 15.96 C +ATOM 622 CG2 ILE A 76 21.215 27.212 48.566 1.00 12.62 C +ATOM 623 CD1 ILE A 76 20.713 24.516 47.179 1.00 13.70 C +ATOM 624 N THR A 77 21.520 28.077 51.942 1.00 13.52 N +ATOM 625 CA THR A 77 21.062 29.262 52.661 1.00 13.96 C +ATOM 626 C THR A 77 21.438 30.519 51.912 1.00 13.31 C +ATOM 627 O THR A 77 22.597 30.700 51.566 1.00 15.25 O +ATOM 628 CB THR A 77 21.691 29.309 54.061 1.00 17.32 C +ATOM 629 OG1 THR A 77 21.369 28.097 54.749 1.00 20.71 O +ATOM 630 CG2 THR A 77 21.172 30.494 54.862 1.00 16.48 C +ATOM 631 N GLN A 78 20.448 31.370 51.663 1.00 15.21 N +ATOM 632 CA GLN A 78 20.631 32.637 50.963 1.00 13.93 C +ATOM 633 C GLN A 78 19.640 33.614 51.570 1.00 13.75 C +ATOM 634 O GLN A 78 18.778 33.217 52.354 1.00 11.75 O +ATOM 635 CB GLN A 78 20.288 32.484 49.483 1.00 14.78 C +ATOM 636 CG GLN A 78 21.017 31.372 48.789 1.00 13.90 C +ATOM 637 CD GLN A 78 20.810 31.414 47.303 1.00 17.75 C +ATOM 638 OE1 GLN A 78 21.546 32.079 46.588 1.00 20.64 O +ATOM 639 NE2 GLN A 78 19.802 30.708 46.826 1.00 16.84 N +ATOM 640 N SER A 79 19.749 34.882 51.197 1.00 12.73 N +ATOM 641 CA SER A 79 18.827 35.893 51.690 1.00 12.48 C +ATOM 642 C SER A 79 17.459 35.712 51.017 1.00 13.80 C +ATOM 643 O SER A 79 17.179 34.666 50.427 1.00 15.01 O +ATOM 644 CB SER A 79 19.399 37.300 51.453 1.00 14.87 C +ATOM 645 OG SER A 79 19.952 37.438 50.154 1.00 15.11 O +ATOM 646 N LEU A 80 16.610 36.725 51.091 1.00 14.30 N +ATOM 647 CA LEU A 80 15.279 36.626 50.498 1.00 15.79 C +ATOM 648 C LEU A 80 15.212 37.072 49.032 1.00 18.73 C +ATOM 649 O LEU A 80 16.029 37.882 48.583 1.00 22.51 O +ATOM 650 CB LEU A 80 14.293 37.469 51.307 1.00 18.86 C +ATOM 651 CG LEU A 80 14.306 37.288 52.822 1.00 24.89 C +ATOM 652 CD1 LEU A 80 13.250 38.182 53.459 1.00 28.12 C +ATOM 653 CD2 LEU A 80 14.047 35.839 53.146 1.00 22.03 C +ATOM 654 N GLY A 81 14.235 36.533 48.299 1.00 17.88 N +ATOM 655 CA GLY A 81 14.019 36.914 46.912 1.00 14.89 C +ATOM 656 C GLY A 81 14.515 35.991 45.822 1.00 14.55 C +ATOM 657 O GLY A 81 13.980 35.989 44.718 1.00 14.43 O +ATOM 658 N TRP A 82 15.538 35.207 46.124 1.00 15.17 N +ATOM 659 CA TRP A 82 16.119 34.294 45.149 1.00 13.64 C +ATOM 660 C TRP A 82 15.183 33.204 44.643 1.00 14.01 C +ATOM 661 O TRP A 82 14.426 32.601 45.403 1.00 15.14 O +ATOM 662 CB TRP A 82 17.382 33.663 45.729 1.00 11.93 C +ATOM 663 CG TRP A 82 18.398 34.671 46.146 1.00 14.04 C +ATOM 664 CD1 TRP A 82 18.658 35.106 47.419 1.00 11.70 C +ATOM 665 CD2 TRP A 82 19.290 35.385 45.286 1.00 13.84 C +ATOM 666 NE1 TRP A 82 19.662 36.049 47.400 1.00 12.34 N +ATOM 667 CE2 TRP A 82 20.068 36.240 46.105 1.00 14.44 C +ATOM 668 CE3 TRP A 82 19.509 35.391 43.902 1.00 12.29 C +ATOM 669 CZ2 TRP A 82 21.047 37.090 45.583 1.00 15.23 C +ATOM 670 CZ3 TRP A 82 20.483 36.240 43.385 1.00 15.00 C +ATOM 671 CH2 TRP A 82 21.238 37.076 44.224 1.00 11.89 C +ATOM 672 N GLU A 83 15.240 32.965 43.344 1.00 15.48 N +ATOM 673 CA GLU A 83 14.439 31.934 42.708 1.00 18.45 C +ATOM 674 C GLU A 83 15.366 31.137 41.809 1.00 16.08 C +ATOM 675 O GLU A 83 16.216 31.706 41.112 1.00 13.64 O +ATOM 676 CB GLU A 83 13.330 32.542 41.853 1.00 29.31 C +ATOM 677 CG GLU A 83 12.196 33.160 42.645 1.00 52.54 C +ATOM 678 CD GLU A 83 11.050 33.615 41.758 1.00 69.23 C +ATOM 679 OE1 GLU A 83 10.734 32.903 40.777 1.00 75.19 O +ATOM 680 OE2 GLU A 83 10.461 34.680 42.048 1.00 75.89 O +ATOM 681 N MET A 84 15.224 29.819 41.846 1.00 13.20 N +ATOM 682 CA MET A 84 16.046 28.952 41.025 1.00 12.42 C +ATOM 683 C MET A 84 15.566 29.033 39.587 1.00 12.33 C +ATOM 684 O MET A 84 14.363 29.135 39.333 1.00 12.13 O +ATOM 685 CB MET A 84 15.929 27.514 41.503 1.00 13.21 C +ATOM 686 CG MET A 84 16.961 26.594 40.904 1.00 14.64 C +ATOM 687 SD MET A 84 16.810 24.965 41.577 1.00 13.80 S +ATOM 688 CE MET A 84 17.747 24.038 40.377 1.00 14.13 C +ATOM 689 N TYR A 85 16.503 28.993 38.651 1.00 12.11 N +ATOM 690 CA TYR A 85 16.157 29.031 37.236 1.00 13.77 C +ATOM 691 C TYR A 85 17.107 28.137 36.466 1.00 12.53 C +ATOM 692 O TYR A 85 18.125 27.697 36.991 1.00 12.09 O +ATOM 693 CB TYR A 85 16.169 30.466 36.686 1.00 14.47 C +ATOM 694 CG TYR A 85 17.533 31.055 36.393 1.00 13.03 C +ATOM 695 CD1 TYR A 85 18.263 31.714 37.384 1.00 6.63 C +ATOM 696 CD2 TYR A 85 18.081 30.978 35.114 1.00 10.84 C +ATOM 697 CE1 TYR A 85 19.498 32.280 37.103 1.00 11.62 C +ATOM 698 CE2 TYR A 85 19.319 31.542 34.824 1.00 9.17 C +ATOM 699 CZ TYR A 85 20.024 32.192 35.821 1.00 13.69 C +ATOM 700 OH TYR A 85 21.259 32.746 35.534 1.00 16.00 O +ATOM 701 N GLU A 86 16.747 27.832 35.232 1.00 13.63 N +ATOM 702 CA GLU A 86 17.573 26.975 34.411 1.00 18.15 C +ATOM 703 C GLU A 86 17.776 27.547 33.013 1.00 21.91 C +ATOM 704 O GLU A 86 16.989 28.367 32.527 1.00 19.82 O +ATOM 705 CB GLU A 86 16.969 25.570 34.334 1.00 19.52 C +ATOM 706 CG GLU A 86 15.600 25.498 33.673 1.00 26.35 C +ATOM 707 CD GLU A 86 14.967 24.110 33.753 1.00 36.12 C +ATOM 708 OE1 GLU A 86 15.666 23.125 34.089 1.00 37.24 O +ATOM 709 OE2 GLU A 86 13.752 24.005 33.485 1.00 40.29 O +ATOM 710 N VAL A 87 18.880 27.149 32.401 1.00 25.28 N +ATOM 711 CA VAL A 87 19.216 27.583 31.061 1.00 27.60 C +ATOM 712 C VAL A 87 18.432 26.663 30.130 1.00 31.51 C +ATOM 713 O VAL A 87 18.276 25.476 30.406 1.00 31.50 O +ATOM 714 CB VAL A 87 20.726 27.419 30.802 1.00 28.52 C +ATOM 715 CG1 VAL A 87 21.079 27.933 29.438 1.00 37.40 C +ATOM 716 CG2 VAL A 87 21.525 28.162 31.854 1.00 29.90 C +ATOM 717 N HIS A 88 17.904 27.206 29.045 1.00 34.17 N +ATOM 718 CA HIS A 88 17.151 26.377 28.129 1.00 37.93 C +ATOM 719 C HIS A 88 17.900 26.117 26.821 1.00 37.95 C +ATOM 720 O HIS A 88 18.154 27.034 26.038 1.00 39.80 O +ATOM 721 CB HIS A 88 15.770 26.982 27.891 1.00 46.29 C +ATOM 722 CG HIS A 88 14.920 27.030 29.125 1.00 59.96 C +ATOM 723 ND1 HIS A 88 14.543 25.896 29.813 1.00 62.30 N +ATOM 724 CD2 HIS A 88 14.367 28.073 29.791 1.00 63.46 C +ATOM 725 CE1 HIS A 88 13.796 26.236 30.848 1.00 63.78 C +ATOM 726 NE2 HIS A 88 13.674 27.552 30.858 1.00 64.05 N +ATOM 727 N VAL A 89 18.320 24.869 26.642 1.00 36.21 N +ATOM 728 CA VAL A 89 19.035 24.448 25.448 1.00 34.98 C +ATOM 729 C VAL A 89 18.066 24.061 24.338 1.00 32.62 C +ATOM 730 O VAL A 89 17.091 23.346 24.571 1.00 31.03 O +ATOM 731 CB VAL A 89 19.972 23.269 25.765 1.00 37.54 C +ATOM 732 CG1 VAL A 89 20.332 22.494 24.501 1.00 38.52 C +ATOM 733 CG2 VAL A 89 21.232 23.803 26.401 1.00 45.55 C +ATOM 734 N PRO A 90 18.321 24.541 23.111 1.00 29.92 N +ATOM 735 CA PRO A 90 17.437 24.211 21.995 1.00 25.40 C +ATOM 736 C PRO A 90 17.521 22.738 21.589 1.00 23.30 C +ATOM 737 O PRO A 90 18.560 22.092 21.753 1.00 22.40 O +ATOM 738 CB PRO A 90 17.946 25.137 20.889 1.00 24.75 C +ATOM 739 CG PRO A 90 19.411 25.229 21.183 1.00 23.68 C +ATOM 740 CD PRO A 90 19.415 25.428 22.674 1.00 26.29 C +ATOM 741 N GLU A 91 16.402 22.205 21.104 1.00 24.79 N +ATOM 742 CA GLU A 91 16.327 20.823 20.635 1.00 23.72 C +ATOM 743 C GLU A 91 17.366 20.674 19.523 1.00 19.93 C +ATOM 744 O GLU A 91 17.665 21.641 18.834 1.00 19.27 O +ATOM 745 CB GLU A 91 14.923 20.538 20.101 1.00 27.97 C +ATOM 746 CG GLU A 91 13.846 20.596 21.168 1.00 37.53 C +ATOM 747 CD GLU A 91 12.459 20.376 20.604 1.00 51.90 C +ATOM 748 OE1 GLU A 91 12.104 19.211 20.316 1.00 56.83 O +ATOM 749 OE2 GLU A 91 11.723 21.373 20.441 1.00 59.23 O +ATOM 750 N PRO A 92 17.859 19.446 19.273 1.00 19.73 N +ATOM 751 CA PRO A 92 18.873 19.208 18.236 1.00 17.54 C +ATOM 752 C PRO A 92 18.610 19.706 16.815 1.00 17.14 C +ATOM 753 O PRO A 92 19.558 19.906 16.050 1.00 18.93 O +ATOM 754 CB PRO A 92 19.101 17.690 18.306 1.00 15.22 C +ATOM 755 CG PRO A 92 17.802 17.176 18.827 1.00 20.48 C +ATOM 756 CD PRO A 92 17.452 18.177 19.896 1.00 16.92 C +ATOM 757 N HIS A 93 17.350 19.937 16.459 1.00 12.30 N +ATOM 758 CA HIS A 93 17.057 20.414 15.114 1.00 14.10 C +ATOM 759 C HIS A 93 17.101 21.938 14.991 1.00 15.06 C +ATOM 760 O HIS A 93 16.876 22.473 13.906 1.00 15.88 O +ATOM 761 CB HIS A 93 15.719 19.865 14.602 1.00 15.59 C +ATOM 762 CG HIS A 93 14.520 20.408 15.316 1.00 16.29 C +ATOM 763 ND1 HIS A 93 14.214 20.080 16.619 1.00 14.09 N +ATOM 764 CD2 HIS A 93 13.550 21.259 14.905 1.00 17.34 C +ATOM 765 CE1 HIS A 93 13.113 20.711 16.984 1.00 18.46 C +ATOM 766 NE2 HIS A 93 12.688 21.431 15.961 1.00 19.46 N +ATOM 767 N ILE A 94 17.387 22.632 16.094 1.00 12.51 N +ATOM 768 CA ILE A 94 17.458 24.090 16.074 1.00 11.60 C +ATOM 769 C ILE A 94 18.903 24.519 16.257 1.00 12.88 C +ATOM 770 O ILE A 94 19.570 24.121 17.211 1.00 13.76 O +ATOM 771 CB ILE A 94 16.585 24.721 17.183 1.00 15.21 C +ATOM 772 CG1 ILE A 94 15.136 24.259 17.025 1.00 15.83 C +ATOM 773 CG2 ILE A 94 16.658 26.248 17.097 1.00 13.14 C +ATOM 774 CD1 ILE A 94 14.219 24.699 18.133 1.00 23.97 C +ATOM 775 N LEU A 95 19.401 25.312 15.313 1.00 10.68 N +ATOM 776 CA LEU A 95 20.773 25.799 15.352 1.00 9.72 C +ATOM 777 C LEU A 95 20.788 27.312 15.580 1.00 9.42 C +ATOM 778 O LEU A 95 19.981 28.057 15.003 1.00 10.11 O +ATOM 779 CB ALEU A 95 21.485 25.465 14.037 0.60 12.96 C +ATOM 780 CB BLEU A 95 21.512 25.450 14.058 0.40 10.08 C +ATOM 781 CG ALEU A 95 21.361 24.051 13.452 0.60 14.61 C +ATOM 782 CG BLEU A 95 21.713 23.966 13.688 0.40 8.79 C +ATOM 783 CD1ALEU A 95 22.328 23.895 12.297 0.60 13.56 C +ATOM 784 CD1BLEU A 95 20.408 23.343 13.225 0.40 6.54 C +ATOM 785 CD2ALEU A 95 21.650 23.018 14.520 0.60 13.71 C +ATOM 786 CD2BLEU A 95 22.751 23.877 12.592 0.40 6.42 C +ATOM 787 N LEU A 96 21.740 27.763 16.384 1.00 8.72 N +ATOM 788 CA LEU A 96 21.846 29.174 16.711 1.00 8.94 C +ATOM 789 C LEU A 96 23.043 29.810 16.023 1.00 8.60 C +ATOM 790 O LEU A 96 24.122 29.216 15.968 1.00 9.70 O +ATOM 791 CB LEU A 96 21.973 29.330 18.228 1.00 8.51 C +ATOM 792 CG LEU A 96 20.961 28.581 19.097 1.00 8.44 C +ATOM 793 CD1 LEU A 96 21.341 28.795 20.566 1.00 8.91 C +ATOM 794 CD2 LEU A 96 19.525 29.044 18.827 1.00 8.93 C +ATOM 795 N PHE A 97 22.848 31.010 15.494 1.00 9.31 N +ATOM 796 CA PHE A 97 23.908 31.738 14.803 1.00 10.10 C +ATOM 797 C PHE A 97 23.897 33.170 15.282 1.00 8.76 C +ATOM 798 O PHE A 97 22.870 33.671 15.753 1.00 13.34 O +ATOM 799 CB PHE A 97 23.667 31.748 13.283 1.00 5.84 C +ATOM 800 CG PHE A 97 23.779 30.399 12.642 1.00 9.63 C +ATOM 801 CD1 PHE A 97 25.009 29.926 12.206 1.00 11.90 C +ATOM 802 CD2 PHE A 97 22.667 29.591 12.500 1.00 6.51 C +ATOM 803 CE1 PHE A 97 25.124 28.666 11.640 1.00 9.42 C +ATOM 804 CE2 PHE A 97 22.774 28.332 11.935 1.00 8.93 C +ATOM 805 CZ PHE A 97 24.002 27.871 11.506 1.00 9.84 C +ATOM 806 N LYS A 98 25.041 33.825 15.159 1.00 9.36 N +ATOM 807 CA LYS A 98 25.157 35.225 15.539 1.00 13.67 C +ATOM 808 C LYS A 98 26.281 35.842 14.750 1.00 13.33 C +ATOM 809 O LYS A 98 27.122 35.124 14.205 1.00 16.27 O +ATOM 810 CB LYS A 98 25.438 35.384 17.040 1.00 12.92 C +ATOM 811 CG LYS A 98 26.803 34.915 17.499 1.00 17.87 C +ATOM 812 CD LYS A 98 26.907 35.095 19.000 1.00 28.91 C +ATOM 813 CE LYS A 98 28.213 34.564 19.536 1.00 37.03 C +ATOM 814 NZ LYS A 98 28.282 34.728 21.013 1.00 44.57 N +ATOM 815 N ARG A 99 26.256 37.163 14.628 1.00 13.82 N +ATOM 816 CA ARG A 99 27.318 37.881 13.931 1.00 17.95 C +ATOM 817 C ARG A 99 27.460 39.273 14.536 1.00 20.34 C +ATOM 818 O ARG A 99 26.489 39.853 15.037 1.00 21.56 O +ATOM 819 CB ARG A 99 27.072 37.968 12.415 1.00 16.95 C +ATOM 820 CG ARG A 99 25.877 38.780 11.989 1.00 15.72 C +ATOM 821 CD ARG A 99 25.864 38.991 10.478 1.00 13.76 C +ATOM 822 NE ARG A 99 24.636 39.665 10.057 1.00 19.06 N +ATOM 823 CZ ARG A 99 24.250 39.824 8.793 1.00 18.44 C +ATOM 824 NH1 ARG A 99 24.991 39.361 7.797 1.00 13.74 N +ATOM 825 NH2 ARG A 99 23.112 40.447 8.526 1.00 18.17 N +ATOM 826 N GLU A 100 28.681 39.787 14.523 1.00 20.95 N +ATOM 827 CA GLU A 100 28.955 41.103 15.073 1.00 25.15 C +ATOM 828 C GLU A 100 28.293 42.202 14.257 1.00 25.95 C +ATOM 829 O GLU A 100 28.264 42.146 13.026 1.00 29.02 O +ATOM 830 CB GLU A 100 30.462 41.346 15.124 1.00 32.24 C +ATOM 831 CG GLU A 100 31.231 40.262 15.837 1.00 40.70 C +ATOM 832 CD GLU A 100 32.606 40.710 16.249 1.00 46.56 C +ATOM 833 OE1 GLU A 100 32.697 41.485 17.229 1.00 51.96 O +ATOM 834 OE2 GLU A 100 33.588 40.286 15.599 1.00 47.10 O +ATOM 835 N LYS A 101 27.738 43.186 14.948 1.00 26.76 N +ATOM 836 CA LYS A 101 27.105 44.311 14.285 1.00 30.68 C +ATOM 837 C LYS A 101 28.186 45.344 13.989 1.00 34.58 C +ATOM 838 O LYS A 101 29.113 45.521 14.784 1.00 33.91 O +ATOM 839 CB LYS A 101 26.058 44.952 15.197 1.00 30.21 C +ATOM 840 CG LYS A 101 24.915 44.051 15.563 1.00 40.85 C +ATOM 841 CD LYS A 101 23.990 44.713 16.570 1.00 45.23 C +ATOM 842 CE LYS A 101 23.297 45.928 15.987 1.00 47.16 C +ATOM 843 NZ LYS A 101 22.331 46.508 16.960 1.00 48.57 N +ATOM 844 N ASP A 102 28.066 46.025 12.854 1.00 38.83 N +ATOM 845 CA ASP A 102 29.019 47.069 12.478 1.00 41.66 C +ATOM 846 C ASP A 102 28.292 48.390 12.260 1.00 43.72 C +ATOM 847 O ASP A 102 27.157 48.562 12.711 1.00 45.56 O +ATOM 848 CB ASP A 102 29.790 46.686 11.217 1.00 41.96 C +ATOM 849 CG ASP A 102 31.159 46.140 11.526 1.00 43.98 C +ATOM 850 OD1 ASP A 102 31.991 46.904 12.051 1.00 43.77 O +ATOM 851 OD2 ASP A 102 31.404 44.949 11.250 1.00 53.58 O +TER 852 ASP A 102 +END diff --git a/bench/main_benchmark/structures/SFB_OL_SUC1_1PUCA_1SCEA/state_b.pdb b/bench/main_benchmark/structures/SFB_OL_SUC1_1PUCA_1SCEA/state_b.pdb new file mode 100644 index 0000000000000000000000000000000000000000..0f9db2e05f0a35c102b91da201ba665df4e7a002 --- /dev/null +++ b/bench/main_benchmark/structures/SFB_OL_SUC1_1PUCA_1SCEA/state_b.pdb @@ -0,0 +1,811 @@ +ATOM 1 N VAL A 6 -1.578 5.850 59.728 1.00 37.80 N +ATOM 2 CA VAL A 6 -1.485 4.441 60.209 1.00 39.16 C +ATOM 3 C VAL A 6 -1.791 3.552 59.016 1.00 35.07 C +ATOM 4 O VAL A 6 -2.876 3.635 58.443 1.00 36.68 O +ATOM 5 CB VAL A 6 -2.487 4.165 61.350 1.00 42.26 C +ATOM 6 CG1 VAL A 6 -2.309 2.738 61.881 1.00 46.13 C +ATOM 7 CG2 VAL A 6 -2.286 5.178 62.469 1.00 41.42 C +ATOM 8 N PRO A 7 -0.824 2.706 58.620 1.00 32.45 N +ATOM 9 CA PRO A 7 -0.913 1.778 57.487 1.00 28.54 C +ATOM 10 C PRO A 7 -1.984 0.704 57.544 1.00 24.65 C +ATOM 11 O PRO A 7 -2.367 0.237 58.619 1.00 25.75 O +ATOM 12 CB PRO A 7 0.487 1.163 57.444 1.00 27.50 C +ATOM 13 CG PRO A 7 0.890 1.159 58.861 1.00 30.21 C +ATOM 14 CD PRO A 7 0.460 2.530 59.319 1.00 30.93 C +ATOM 15 N ARG A 8 -2.475 0.342 56.365 1.00 18.43 N +ATOM 16 CA ARG A 8 -3.468 -0.700 56.221 1.00 20.03 C +ATOM 17 C ARG A 8 -2.672 -1.926 55.792 1.00 22.90 C +ATOM 18 O ARG A 8 -2.273 -2.043 54.639 1.00 27.44 O +ATOM 19 CB ARG A 8 -4.480 -0.324 55.162 1.00 19.65 C +ATOM 20 N LEU A 9 -2.366 -2.783 56.758 1.00 25.24 N +ATOM 21 CA LEU A 9 -1.604 -4.003 56.528 1.00 23.88 C +ATOM 22 C LEU A 9 -2.364 -4.992 55.668 1.00 22.58 C +ATOM 23 O LEU A 9 -3.579 -5.131 55.785 1.00 22.83 O +ATOM 24 CB LEU A 9 -1.285 -4.675 57.863 1.00 26.95 C +ATOM 25 CG LEU A 9 -0.165 -4.170 58.766 1.00 28.17 C +ATOM 26 CD1 LEU A 9 -0.053 -2.669 58.742 1.00 29.01 C +ATOM 27 CD2 LEU A 9 -0.439 -4.679 60.169 1.00 29.27 C +ATOM 28 N LEU A 10 -1.628 -5.710 54.834 1.00 23.29 N +ATOM 29 CA LEU A 10 -2.209 -6.715 53.959 1.00 25.98 C +ATOM 30 C LEU A 10 -2.605 -7.940 54.768 1.00 31.86 C +ATOM 31 O LEU A 10 -2.168 -8.125 55.901 1.00 30.29 O +ATOM 32 CB LEU A 10 -1.183 -7.135 52.907 1.00 21.66 C +ATOM 33 CG LEU A 10 -1.413 -6.692 51.470 1.00 24.97 C +ATOM 34 CD1 LEU A 10 -2.332 -5.492 51.431 1.00 24.57 C +ATOM 35 CD2 LEU A 10 -0.081 -6.389 50.805 1.00 21.65 C +ATOM 36 N THR A 11 -3.416 -8.790 54.155 1.00 37.16 N +ATOM 37 CA THR A 11 -3.859 -10.029 54.768 1.00 39.48 C +ATOM 38 C THR A 11 -3.009 -11.121 54.107 1.00 40.65 C +ATOM 39 O THR A 11 -2.612 -10.983 52.942 1.00 37.54 O +ATOM 40 CB THR A 11 -5.346 -10.273 54.458 1.00 42.73 C +ATOM 41 OG1 THR A 11 -6.120 -9.168 54.941 1.00 46.70 O +ATOM 42 CG2 THR A 11 -5.836 -11.545 55.117 1.00 46.70 C +ATOM 43 N ALA A 12 -2.712 -12.189 54.841 1.00 38.91 N +ATOM 44 CA ALA A 12 -1.912 -13.286 54.301 1.00 33.93 C +ATOM 45 C ALA A 12 -2.488 -13.799 52.977 1.00 31.49 C +ATOM 46 O ALA A 12 -1.750 -14.271 52.113 1.00 28.64 O +ATOM 47 CB ALA A 12 -1.828 -14.413 55.310 1.00 33.26 C +ATOM 48 N SER A 13 -3.804 -13.683 52.819 1.00 25.25 N +ATOM 49 CA SER A 13 -4.477 -14.131 51.608 1.00 28.37 C +ATOM 50 C SER A 13 -4.253 -13.152 50.445 1.00 27.92 C +ATOM 51 O SER A 13 -4.159 -13.556 49.283 1.00 24.17 O +ATOM 52 CB SER A 13 -5.968 -14.311 51.895 1.00 29.12 C +ATOM 53 OG SER A 13 -6.164 -14.893 53.181 1.00 30.18 O +ATOM 54 N GLU A 14 -4.174 -11.861 50.763 1.00 28.74 N +ATOM 55 CA GLU A 14 -3.931 -10.837 49.744 1.00 29.00 C +ATOM 56 C GLU A 14 -2.458 -10.889 49.324 1.00 26.82 C +ATOM 57 O GLU A 14 -2.141 -10.952 48.140 1.00 28.71 O +ATOM 58 CB GLU A 14 -4.271 -9.440 50.285 1.00 23.00 C +ATOM 59 CG GLU A 14 -5.740 -9.233 50.608 1.00 20.86 C +ATOM 60 CD GLU A 14 -5.999 -7.953 51.383 1.00 21.89 C +ATOM 61 OE1 GLU A 14 -5.196 -7.618 52.273 1.00 24.11 O +ATOM 62 OE2 GLU A 14 -7.007 -7.273 51.109 1.00 23.39 O +ATOM 63 N ARG A 15 -1.568 -10.911 50.309 1.00 28.50 N +ATOM 64 CA ARG A 15 -0.131 -10.951 50.057 1.00 36.30 C +ATOM 65 C ARG A 15 0.299 -12.112 49.150 1.00 34.30 C +ATOM 66 O ARG A 15 1.203 -11.962 48.320 1.00 32.53 O +ATOM 67 CB ARG A 15 0.629 -10.998 51.388 1.00 37.41 C +ATOM 68 CG ARG A 15 2.139 -11.076 51.241 1.00 44.56 C +ATOM 69 CD ARG A 15 2.667 -9.925 50.409 1.00 47.83 C +ATOM 70 NE ARG A 15 4.117 -9.985 50.245 1.00 52.82 N +ATOM 71 CZ ARG A 15 4.731 -10.353 49.125 1.00 53.25 C +ATOM 72 NH1 ARG A 15 4.026 -10.703 48.056 1.00 55.06 N +ATOM 73 NH2 ARG A 15 6.055 -10.356 49.070 1.00 54.22 N +ATOM 74 N GLU A 16 -0.353 -13.260 49.321 1.00 36.91 N +ATOM 75 CA GLU A 16 -0.069 -14.460 48.536 1.00 37.45 C +ATOM 76 C GLU A 16 -0.471 -14.279 47.073 1.00 34.98 C +ATOM 77 O GLU A 16 0.174 -14.812 46.171 1.00 35.48 O +ATOM 78 CB GLU A 16 -0.798 -15.664 49.145 1.00 40.40 C +ATOM 79 CG GLU A 16 -0.559 -16.991 48.432 1.00 44.94 C +ATOM 80 CD GLU A 16 -0.320 -18.146 49.398 1.00 47.23 C +ATOM 81 OE1 GLU A 16 -1.158 -18.378 50.300 1.00 45.68 O +ATOM 82 OE2 GLU A 16 0.720 -18.822 49.255 1.00 51.48 O +ATOM 83 N ARG A 17 -1.515 -13.490 46.852 1.00 35.53 N +ATOM 84 CA ARG A 17 -2.035 -13.209 45.517 1.00 36.00 C +ATOM 85 C ARG A 17 -1.050 -12.355 44.697 1.00 35.22 C +ATOM 86 O ARG A 17 -1.049 -12.398 43.462 1.00 36.24 O +ATOM 87 CB ARG A 17 -3.377 -12.479 45.655 1.00 38.55 C +ATOM 88 CG ARG A 17 -4.185 -12.340 44.377 1.00 41.59 C +ATOM 89 CD ARG A 17 -5.326 -11.341 44.549 1.00 42.15 C +ATOM 90 NE ARG A 17 -6.202 -11.662 45.677 1.00 46.61 N +ATOM 91 CZ ARG A 17 -6.501 -10.817 46.664 1.00 48.22 C +ATOM 92 NH1 ARG A 17 -5.991 -9.589 46.673 1.00 48.06 N +ATOM 93 NH2 ARG A 17 -7.328 -11.193 47.635 1.00 47.69 N +ATOM 94 N LEU A 18 -0.201 -11.603 45.392 1.00 30.59 N +ATOM 95 CA LEU A 18 0.777 -10.732 44.749 1.00 27.20 C +ATOM 96 C LEU A 18 2.120 -11.403 44.478 1.00 29.06 C +ATOM 97 O LEU A 18 2.855 -11.002 43.569 1.00 28.01 O +ATOM 98 CB LEU A 18 0.979 -9.480 45.600 1.00 27.10 C +ATOM 99 CG LEU A 18 -0.328 -8.718 45.848 1.00 28.76 C +ATOM 100 CD1 LEU A 18 -0.177 -7.686 46.958 1.00 29.57 C +ATOM 101 CD2 LEU A 18 -0.790 -8.084 44.546 1.00 27.41 C +ATOM 102 N GLU A 19 2.398 -12.472 45.216 1.00 28.66 N +ATOM 103 CA GLU A 19 3.648 -13.220 45.101 1.00 35.61 C +ATOM 104 C GLU A 19 4.275 -13.434 43.714 1.00 33.69 C +ATOM 105 O GLU A 19 5.481 -13.236 43.547 1.00 35.98 O +ATOM 106 CB GLU A 19 3.524 -14.572 45.820 1.00 42.96 C +ATOM 107 CG GLU A 19 3.279 -14.455 47.324 1.00 53.83 C +ATOM 108 CD GLU A 19 3.213 -15.802 48.040 1.00 57.88 C +ATOM 109 OE1 GLU A 19 2.753 -16.797 47.430 1.00 59.82 O +ATOM 110 OE2 GLU A 19 3.620 -15.859 49.223 1.00 58.39 O +ATOM 111 N PRO A 20 3.486 -13.853 42.709 1.00 28.82 N +ATOM 112 CA PRO A 20 4.052 -14.078 41.373 1.00 26.64 C +ATOM 113 C PRO A 20 4.523 -12.865 40.563 1.00 26.42 C +ATOM 114 O PRO A 20 5.185 -13.037 39.532 1.00 23.91 O +ATOM 115 CB PRO A 20 2.928 -14.829 40.656 1.00 27.07 C +ATOM 116 CG PRO A 20 1.705 -14.256 41.269 1.00 29.72 C +ATOM 117 CD PRO A 20 2.068 -14.254 42.738 1.00 33.63 C +ATOM 118 N PHE A 21 4.189 -11.656 41.011 1.00 20.94 N +ATOM 119 CA PHE A 21 4.587 -10.446 40.286 1.00 18.59 C +ATOM 120 C PHE A 21 5.909 -9.823 40.730 1.00 15.04 C +ATOM 121 O PHE A 21 6.519 -9.058 39.991 1.00 18.36 O +ATOM 122 CB PHE A 21 3.483 -9.386 40.359 1.00 16.61 C +ATOM 123 CG PHE A 21 2.176 -9.832 39.774 1.00 12.65 C +ATOM 124 CD1 PHE A 21 1.990 -9.847 38.403 1.00 13.27 C +ATOM 125 CD2 PHE A 21 1.146 -10.264 40.599 1.00 10.95 C +ATOM 126 CE1 PHE A 21 0.802 -10.291 37.859 1.00 13.53 C +ATOM 127 CE2 PHE A 21 -0.051 -10.712 40.065 1.00 12.35 C +ATOM 128 CZ PHE A 21 -0.224 -10.726 38.691 1.00 15.52 C +ATOM 129 N ILE A 22 6.360 -10.175 41.924 1.00 18.03 N +ATOM 130 CA ILE A 22 7.592 -9.639 42.494 1.00 22.16 C +ATOM 131 C ILE A 22 8.784 -9.593 41.534 1.00 25.34 C +ATOM 132 O ILE A 22 9.564 -8.635 41.561 1.00 26.87 O +ATOM 133 CB ILE A 22 8.013 -10.421 43.780 1.00 20.62 C +ATOM 134 CG1 ILE A 22 6.871 -10.437 44.802 1.00 21.07 C +ATOM 135 CG2 ILE A 22 9.249 -9.793 44.410 1.00 24.57 C +ATOM 136 CD1 ILE A 22 6.292 -9.072 45.105 1.00 17.50 C +ATOM 137 N ASP A 23 8.916 -10.599 40.672 1.00 25.35 N +ATOM 138 CA ASP A 23 10.044 -10.640 39.748 1.00 23.90 C +ATOM 139 C ASP A 23 9.973 -9.721 38.528 1.00 22.03 C +ATOM 140 O ASP A 23 10.993 -9.511 37.863 1.00 19.51 O +ATOM 141 CB ASP A 23 10.357 -12.083 39.319 1.00 27.42 C +ATOM 142 CG ASP A 23 9.223 -12.726 38.539 1.00 32.31 C +ATOM 143 OD1 ASP A 23 8.214 -13.109 39.165 1.00 33.88 O +ATOM 144 OD2 ASP A 23 9.344 -12.862 37.300 1.00 34.50 O +ATOM 145 N GLN A 24 8.802 -9.156 38.235 1.00 20.51 N +ATOM 146 CA GLN A 24 8.681 -8.274 37.072 1.00 20.05 C +ATOM 147 C GLN A 24 8.547 -6.786 37.388 1.00 19.51 C +ATOM 148 O GLN A 24 8.311 -5.970 36.480 1.00 20.49 O +ATOM 149 CB GLN A 24 7.512 -8.685 36.176 1.00 29.41 C +ATOM 150 CG GLN A 24 7.339 -10.161 35.978 1.00 36.64 C +ATOM 151 CD GLN A 24 6.380 -10.740 36.986 1.00 45.04 C +ATOM 152 OE1 GLN A 24 5.446 -10.065 37.428 1.00 50.45 O +ATOM 153 NE2 GLN A 24 6.572 -12.007 37.329 1.00 46.25 N +ATOM 154 N ILE A 25 8.641 -6.417 38.661 1.00 14.05 N +ATOM 155 CA ILE A 25 8.544 -5.006 39.010 1.00 10.00 C +ATOM 156 C ILE A 25 9.801 -4.296 38.541 1.00 7.12 C +ATOM 157 O ILE A 25 10.900 -4.717 38.875 1.00 6.74 O +ATOM 158 CB ILE A 25 8.347 -4.796 40.516 1.00 6.94 C +ATOM 159 CG1 ILE A 25 6.993 -5.360 40.942 1.00 3.20 C +ATOM 160 CG2 ILE A 25 8.434 -3.313 40.854 1.00 2.00 C +ATOM 161 CD1 ILE A 25 6.649 -5.063 42.371 1.00 2.00 C +ATOM 162 N HIS A 26 9.640 -3.257 37.723 1.00 9.53 N +ATOM 163 CA HIS A 26 10.790 -2.515 37.212 1.00 12.05 C +ATOM 164 C HIS A 26 11.046 -1.197 37.940 1.00 10.86 C +ATOM 165 O HIS A 26 10.124 -0.579 38.458 1.00 13.88 O +ATOM 166 CB HIS A 26 10.675 -2.312 35.698 1.00 18.00 C +ATOM 167 CG HIS A 26 10.872 -3.574 34.911 1.00 25.46 C +ATOM 168 ND1 HIS A 26 9.870 -4.502 34.726 1.00 27.08 N +ATOM 169 CD2 HIS A 26 11.970 -4.083 34.305 1.00 28.10 C +ATOM 170 CE1 HIS A 26 10.341 -5.528 34.042 1.00 26.99 C +ATOM 171 NE2 HIS A 26 11.613 -5.299 33.774 1.00 30.99 N +ATOM 172 N TYR A 27 12.312 -0.792 37.971 1.00 9.53 N +ATOM 173 CA TYR A 27 12.784 0.414 38.655 1.00 6.67 C +ATOM 174 C TYR A 27 13.477 1.355 37.663 1.00 9.24 C +ATOM 175 O TYR A 27 14.192 0.904 36.765 1.00 8.48 O +ATOM 176 CB TYR A 27 13.804 0.000 39.734 1.00 3.52 C +ATOM 177 CG TYR A 27 13.202 -0.875 40.810 1.00 7.25 C +ATOM 178 CD1 TYR A 27 12.427 -0.316 41.829 1.00 6.66 C +ATOM 179 CD2 TYR A 27 13.308 -2.269 40.753 1.00 4.55 C +ATOM 180 CE1 TYR A 27 11.768 -1.113 42.749 1.00 9.41 C +ATOM 181 CE2 TYR A 27 12.647 -3.074 41.673 1.00 3.16 C +ATOM 182 CZ TYR A 27 11.880 -2.486 42.660 1.00 7.51 C +ATOM 183 OH TYR A 27 11.191 -3.256 43.547 1.00 9.62 O +ATOM 184 N SER A 28 13.292 2.658 37.817 1.00 6.00 N +ATOM 185 CA SER A 28 13.949 3.580 36.898 1.00 7.09 C +ATOM 186 C SER A 28 15.236 4.124 37.507 1.00 8.41 C +ATOM 187 O SER A 28 15.548 3.845 38.671 1.00 7.85 O +ATOM 188 CB SER A 28 13.017 4.746 36.580 1.00 6.78 C +ATOM 189 OG SER A 28 12.811 5.542 37.731 1.00 5.52 O +ATOM 190 N PRO A 29 16.044 4.844 36.708 1.00 5.41 N +ATOM 191 CA PRO A 29 17.276 5.408 37.261 1.00 6.12 C +ATOM 192 C PRO A 29 16.872 6.482 38.290 1.00 5.27 C +ATOM 193 O PRO A 29 15.696 6.828 38.415 1.00 8.13 O +ATOM 194 CB PRO A 29 17.913 6.075 36.033 1.00 4.92 C +ATOM 195 CG PRO A 29 17.488 5.196 34.926 1.00 3.07 C +ATOM 196 CD PRO A 29 16.028 4.987 35.241 1.00 5.93 C +ATOM 197 N ARG A 30 17.835 6.960 39.059 1.00 9.94 N +ATOM 198 CA ARG A 30 17.597 8.029 40.022 1.00 10.73 C +ATOM 199 C ARG A 30 17.942 9.346 39.318 1.00 10.74 C +ATOM 200 O ARG A 30 19.072 9.513 38.840 1.00 2.00 O +ATOM 201 CB ARG A 30 18.498 7.855 41.251 1.00 10.99 C +ATOM 202 CG ARG A 30 18.789 9.134 41.997 1.00 12.27 C +ATOM 203 CD ARG A 30 19.492 8.876 43.322 1.00 19.82 C +ATOM 204 NE ARG A 30 20.808 8.254 43.187 1.00 18.90 N +ATOM 205 CZ ARG A 30 21.755 8.297 44.125 1.00 23.71 C +ATOM 206 NH1 ARG A 30 21.552 8.941 45.278 1.00 23.85 N +ATOM 207 NH2 ARG A 30 22.897 7.650 43.938 1.00 22.37 N +ATOM 208 N TYR A 31 16.964 10.251 39.236 1.00 8.79 N +ATOM 209 CA TYR A 31 17.150 11.562 38.615 1.00 11.09 C +ATOM 210 C TYR A 31 17.196 12.622 39.715 1.00 13.20 C +ATOM 211 O TYR A 31 16.674 12.409 40.800 1.00 15.38 O +ATOM 212 CB TYR A 31 15.990 11.877 37.666 1.00 14.52 C +ATOM 213 CG TYR A 31 15.783 10.851 36.581 1.00 10.91 C +ATOM 214 CD1 TYR A 31 16.608 10.824 35.469 1.00 10.38 C +ATOM 215 CD2 TYR A 31 14.763 9.906 36.671 1.00 10.46 C +ATOM 216 CE1 TYR A 31 16.432 9.883 34.465 1.00 13.11 C +ATOM 217 CE2 TYR A 31 14.572 8.953 35.669 1.00 8.13 C +ATOM 218 CZ TYR A 31 15.413 8.949 34.571 1.00 12.18 C +ATOM 219 OH TYR A 31 15.254 8.008 33.578 1.00 19.48 O +ATOM 220 N ALA A 32 17.806 13.766 39.447 1.00 9.85 N +ATOM 221 CA ALA A 32 17.875 14.800 40.460 1.00 12.45 C +ATOM 222 C ALA A 32 17.738 16.174 39.871 1.00 17.64 C +ATOM 223 O ALA A 32 17.732 16.349 38.656 1.00 20.82 O +ATOM 224 CB ALA A 32 19.172 14.713 41.208 1.00 10.99 C +ATOM 225 N ASP A 33 17.573 17.145 40.749 1.00 22.46 N +ATOM 226 CA ASP A 33 17.491 18.530 40.342 1.00 28.29 C +ATOM 227 C ASP A 33 18.103 19.292 41.500 1.00 29.50 C +ATOM 228 O ASP A 33 18.740 18.689 42.364 1.00 24.23 O +ATOM 229 CB ASP A 33 16.039 18.967 40.042 1.00 29.06 C +ATOM 230 CG ASP A 33 15.174 19.153 41.294 1.00 32.99 C +ATOM 231 OD1 ASP A 33 15.605 18.873 42.436 1.00 34.08 O +ATOM 232 OD2 ASP A 33 14.022 19.599 41.122 1.00 36.98 O +ATOM 233 N ASP A 34 17.845 20.593 41.537 1.00 33.33 N +ATOM 234 CA ASP A 34 18.337 21.483 42.576 1.00 35.73 C +ATOM 235 C ASP A 34 18.321 20.915 43.993 1.00 35.63 C +ATOM 236 O ASP A 34 19.347 20.925 44.667 1.00 38.80 O +ATOM 237 CB ASP A 34 17.559 22.812 42.538 1.00 40.94 C +ATOM 238 CG ASP A 34 16.075 22.628 42.168 1.00 43.45 C +ATOM 239 OD1 ASP A 34 15.770 22.560 40.949 1.00 42.37 O +ATOM 240 OD2 ASP A 34 15.221 22.561 43.087 1.00 39.68 O +ATOM 241 N GLU A 35 17.181 20.403 44.448 1.00 32.76 N +ATOM 242 CA GLU A 35 17.126 19.889 45.814 1.00 34.14 C +ATOM 243 C GLU A 35 16.379 18.601 46.078 1.00 28.53 C +ATOM 244 O GLU A 35 16.118 18.266 47.230 1.00 27.81 O +ATOM 245 CB GLU A 35 16.620 20.977 46.768 1.00 41.35 C +ATOM 246 CG GLU A 35 15.476 21.808 46.235 1.00 47.15 C +ATOM 247 CD GLU A 35 15.714 23.292 46.452 1.00 52.94 C +ATOM 248 OE1 GLU A 35 16.419 23.915 45.625 1.00 55.05 O +ATOM 249 OE2 GLU A 35 15.209 23.834 47.458 1.00 55.83 O +ATOM 250 N TYR A 36 16.091 17.845 45.029 1.00 25.50 N +ATOM 251 CA TYR A 36 15.367 16.593 45.182 1.00 20.94 C +ATOM 252 C TYR A 36 15.861 15.526 44.225 1.00 16.75 C +ATOM 253 O TYR A 36 16.418 15.827 43.175 1.00 17.83 O +ATOM 254 CB TYR A 36 13.871 16.810 44.934 1.00 23.05 C +ATOM 255 CG TYR A 36 13.122 17.443 46.082 1.00 23.29 C +ATOM 256 CD1 TYR A 36 13.063 18.821 46.225 1.00 24.53 C +ATOM 257 CD2 TYR A 36 12.487 16.655 47.035 1.00 22.27 C +ATOM 258 CE1 TYR A 36 12.394 19.401 47.296 1.00 29.07 C +ATOM 259 CE2 TYR A 36 11.819 17.218 48.099 1.00 25.43 C +ATOM 260 CZ TYR A 36 11.778 18.590 48.230 1.00 29.02 C +ATOM 261 OH TYR A 36 11.146 19.150 49.311 1.00 35.99 O +ATOM 262 N GLU A 37 15.677 14.278 44.628 1.00 16.27 N +ATOM 263 CA GLU A 37 16.018 13.120 43.824 1.00 12.85 C +ATOM 264 C GLU A 37 14.655 12.532 43.474 1.00 10.96 C +ATOM 265 O GLU A 37 13.749 12.556 44.299 1.00 11.82 O +ATOM 266 CB GLU A 37 16.861 12.137 44.629 1.00 9.57 C +ATOM 267 CG GLU A 37 18.322 12.583 44.751 1.00 11.65 C +ATOM 268 CD GLU A 37 19.166 11.673 45.639 1.00 16.31 C +ATOM 269 OE1 GLU A 37 18.633 11.117 46.621 1.00 17.67 O +ATOM 270 OE2 GLU A 37 20.376 11.531 45.368 1.00 17.83 O +ATOM 271 N TYR A 38 14.502 12.043 42.249 1.00 11.71 N +ATOM 272 CA TYR A 38 13.239 11.491 41.770 1.00 9.86 C +ATOM 273 C TYR A 38 13.415 10.094 41.164 1.00 2.70 C +ATOM 274 O TYR A 38 14.460 9.789 40.597 1.00 6.64 O +ATOM 275 CB TYR A 38 12.651 12.421 40.690 1.00 7.18 C +ATOM 276 CG TYR A 38 12.403 13.853 41.120 1.00 8.78 C +ATOM 277 CD1 TYR A 38 11.217 14.215 41.753 1.00 13.83 C +ATOM 278 CD2 TYR A 38 13.343 14.847 40.879 1.00 13.90 C +ATOM 279 CE1 TYR A 38 10.965 15.524 42.138 1.00 12.73 C +ATOM 280 CE2 TYR A 38 13.102 16.172 41.255 1.00 15.47 C +ATOM 281 CZ TYR A 38 11.912 16.501 41.882 1.00 17.12 C +ATOM 282 OH TYR A 38 11.653 17.808 42.238 1.00 17.95 O +ATOM 283 N ARG A 39 12.384 9.264 41.262 1.00 3.73 N +ATOM 284 CA ARG A 39 12.412 7.919 40.676 1.00 5.91 C +ATOM 285 C ARG A 39 10.999 7.307 40.637 1.00 8.15 C +ATOM 286 O ARG A 39 10.127 7.647 41.463 1.00 6.43 O +ATOM 287 CB ARG A 39 13.408 7.000 41.429 1.00 10.47 C +ATOM 288 CG ARG A 39 12.836 6.078 42.544 1.00 4.89 C +ATOM 289 CD ARG A 39 12.663 4.626 42.057 1.00 6.28 C +ATOM 290 NE ARG A 39 13.896 4.053 41.504 1.00 6.91 N +ATOM 291 CZ ARG A 39 14.729 3.250 42.168 1.00 9.58 C +ATOM 292 NH1 ARG A 39 14.472 2.899 43.422 1.00 11.17 N +ATOM 293 NH2 ARG A 39 15.835 2.804 41.584 1.00 2.00 N +ATOM 294 N HIS A 40 10.744 6.474 39.631 1.00 4.12 N +ATOM 295 CA HIS A 40 9.453 5.808 39.521 1.00 3.98 C +ATOM 296 C HIS A 40 9.606 4.294 39.461 1.00 11.96 C +ATOM 297 O HIS A 40 10.680 3.754 39.146 1.00 11.54 O +ATOM 298 CB HIS A 40 8.617 6.315 38.332 1.00 3.35 C +ATOM 299 CG HIS A 40 9.391 6.488 37.065 1.00 5.30 C +ATOM 300 ND1 HIS A 40 10.297 7.513 36.882 1.00 4.43 N +ATOM 301 CD2 HIS A 40 9.435 5.739 35.938 1.00 2.00 C +ATOM 302 CE1 HIS A 40 10.876 7.382 35.703 1.00 2.00 C +ATOM 303 NE2 HIS A 40 10.371 6.314 35.112 1.00 4.73 N +ATOM 304 N VAL A 41 8.523 3.617 39.815 1.00 11.98 N +ATOM 305 CA VAL A 41 8.484 2.175 39.821 1.00 8.97 C +ATOM 306 C VAL A 41 7.385 1.754 38.865 1.00 7.46 C +ATOM 307 O VAL A 41 6.288 2.305 38.884 1.00 6.29 O +ATOM 308 CB VAL A 41 8.201 1.656 41.236 1.00 8.47 C +ATOM 309 CG1 VAL A 41 8.122 0.131 41.234 1.00 4.80 C +ATOM 310 CG2 VAL A 41 9.290 2.161 42.183 1.00 2.71 C +ATOM 311 N MET A 42 7.717 0.841 37.967 1.00 7.47 N +ATOM 312 CA MET A 42 6.756 0.369 37.001 1.00 10.36 C +ATOM 313 C MET A 42 6.294 -1.033 37.346 1.00 10.36 C +ATOM 314 O MET A 42 7.062 -1.998 37.285 1.00 15.67 O +ATOM 315 CB MET A 42 7.342 0.423 35.593 1.00 14.11 C +ATOM 316 CG MET A 42 7.827 1.810 35.181 1.00 19.40 C +ATOM 317 SD MET A 42 9.593 2.081 35.499 1.00 29.63 S +ATOM 318 CE MET A 42 10.239 1.846 33.894 1.00 26.67 C +ATOM 319 N LEU A 43 5.048 -1.118 37.783 1.00 11.49 N +ATOM 320 CA LEU A 43 4.430 -2.384 38.137 1.00 13.22 C +ATOM 321 C LEU A 43 3.945 -3.052 36.882 1.00 13.61 C +ATOM 322 O LEU A 43 3.839 -2.408 35.834 1.00 14.17 O +ATOM 323 CB LEU A 43 3.203 -2.160 39.020 1.00 10.38 C +ATOM 324 CG LEU A 43 3.401 -1.402 40.328 1.00 11.48 C +ATOM 325 CD1 LEU A 43 2.050 -1.201 40.964 1.00 10.78 C +ATOM 326 CD2 LEU A 43 4.352 -2.163 41.249 1.00 8.21 C +ATOM 327 N PRO A 44 3.788 -4.382 36.930 1.00 14.86 N +ATOM 328 CA PRO A 44 3.295 -5.113 35.764 1.00 15.04 C +ATOM 329 C PRO A 44 1.789 -4.825 35.724 1.00 15.40 C +ATOM 330 O PRO A 44 1.100 -4.992 36.732 1.00 18.96 O +ATOM 331 CB PRO A 44 3.582 -6.573 36.141 1.00 15.40 C +ATOM 332 CG PRO A 44 4.799 -6.461 36.998 1.00 12.08 C +ATOM 333 CD PRO A 44 4.431 -5.304 37.882 1.00 11.05 C +ATOM 334 N LYS A 45 1.282 -4.380 34.580 1.00 19.46 N +ATOM 335 CA LYS A 45 -0.140 -4.060 34.441 1.00 24.30 C +ATOM 336 C LYS A 45 -1.103 -5.111 35.033 1.00 26.47 C +ATOM 337 O LYS A 45 -2.042 -4.769 35.770 1.00 25.58 O +ATOM 338 CB LYS A 45 -0.472 -3.808 32.968 1.00 26.90 C +ATOM 339 CG LYS A 45 0.311 -2.653 32.342 1.00 27.99 C +ATOM 340 CD LYS A 45 -0.134 -2.425 30.905 1.00 28.89 C +ATOM 341 CE LYS A 45 0.456 -1.151 30.315 1.00 31.94 C +ATOM 342 NZ LYS A 45 1.933 -1.223 30.095 1.00 35.03 N +ATOM 343 N ALA A 46 -0.830 -6.386 34.761 1.00 25.66 N +ATOM 344 CA ALA A 46 -1.664 -7.490 35.247 1.00 28.96 C +ATOM 345 C ALA A 46 -1.799 -7.503 36.770 1.00 28.83 C +ATOM 346 O ALA A 46 -2.788 -7.990 37.324 1.00 31.70 O +ATOM 347 CB ALA A 46 -1.100 -8.819 34.770 1.00 22.89 C +ATOM 348 N MET A 47 -0.795 -6.963 37.438 1.00 26.28 N +ATOM 349 CA MET A 47 -0.779 -6.917 38.881 1.00 24.58 C +ATOM 350 C MET A 47 -1.861 -6.008 39.458 1.00 22.54 C +ATOM 351 O MET A 47 -2.410 -6.295 40.521 1.00 23.85 O +ATOM 352 CB MET A 47 0.603 -6.470 39.356 1.00 22.37 C +ATOM 353 CG MET A 47 0.719 -6.314 40.846 1.00 16.50 C +ATOM 354 SD MET A 47 2.342 -5.797 41.259 1.00 17.66 S +ATOM 355 CE MET A 47 2.462 -6.445 42.938 1.00 16.05 C +ATOM 356 N LEU A 48 -2.186 -4.927 38.760 1.00 22.05 N +ATOM 357 CA LEU A 48 -3.210 -4.002 39.252 1.00 25.78 C +ATOM 358 C LEU A 48 -4.532 -4.694 39.604 1.00 25.22 C +ATOM 359 O LEU A 48 -5.228 -4.269 40.520 1.00 28.03 O +ATOM 360 CB LEU A 48 -3.453 -2.881 38.243 1.00 23.43 C +ATOM 361 CG LEU A 48 -2.303 -1.904 38.044 1.00 18.95 C +ATOM 362 CD1 LEU A 48 -2.601 -1.004 36.855 1.00 22.16 C +ATOM 363 CD2 LEU A 48 -2.112 -1.097 39.296 1.00 16.07 C +ATOM 364 N LYS A 49 -4.848 -5.780 38.903 1.00 27.12 N +ATOM 365 CA LYS A 49 -6.071 -6.537 39.155 1.00 27.76 C +ATOM 366 C LYS A 49 -6.027 -7.260 40.505 1.00 32.46 C +ATOM 367 O LYS A 49 -7.078 -7.611 41.058 1.00 38.77 O +ATOM 368 CB LYS A 49 -6.304 -7.545 38.028 1.00 28.93 C +ATOM 369 CG LYS A 49 -6.473 -6.890 36.660 1.00 36.52 C +ATOM 370 CD LYS A 49 -6.126 -7.826 35.499 1.00 40.88 C +ATOM 371 CE LYS A 49 -7.319 -8.635 35.019 1.00 43.36 C +ATOM 372 NZ LYS A 49 -8.328 -7.789 34.323 1.00 45.62 N +ATOM 373 N ALA A 50 -4.819 -7.461 41.040 1.00 28.09 N +ATOM 374 CA ALA A 50 -4.619 -8.157 42.318 1.00 25.93 C +ATOM 375 C ALA A 50 -4.582 -7.239 43.548 1.00 26.27 C +ATOM 376 O ALA A 50 -4.821 -7.670 44.681 1.00 24.80 O +ATOM 377 CB ALA A 50 -3.345 -8.993 42.254 1.00 21.82 C +ATOM 378 N ILE A 51 -4.265 -5.974 43.330 1.00 24.23 N +ATOM 379 CA ILE A 51 -4.186 -5.021 44.428 1.00 22.14 C +ATOM 380 C ILE A 51 -5.577 -4.718 45.034 1.00 20.07 C +ATOM 381 O ILE A 51 -6.550 -4.505 44.306 1.00 23.84 O +ATOM 382 CB ILE A 51 -3.450 -3.752 43.947 1.00 17.87 C +ATOM 383 CG1 ILE A 51 -2.067 -4.159 43.426 1.00 15.53 C +ATOM 384 CG2 ILE A 51 -3.306 -2.745 45.065 1.00 19.76 C +ATOM 385 CD1 ILE A 51 -1.230 -3.013 42.904 1.00 20.73 C +ATOM 386 N PRO A 52 -5.692 -4.743 46.377 1.00 18.48 N +ATOM 387 CA PRO A 52 -6.942 -4.479 47.099 1.00 18.79 C +ATOM 388 C PRO A 52 -7.599 -3.151 46.716 1.00 20.28 C +ATOM 389 O PRO A 52 -6.913 -2.142 46.561 1.00 21.84 O +ATOM 390 CB PRO A 52 -6.483 -4.472 48.551 1.00 21.07 C +ATOM 391 CG PRO A 52 -5.384 -5.466 48.549 1.00 18.28 C +ATOM 392 CD PRO A 52 -4.617 -5.071 47.327 1.00 17.73 C +ATOM 393 N THR A 53 -8.928 -3.143 46.630 1.00 21.14 N +ATOM 394 CA THR A 53 -9.684 -1.945 46.249 1.00 23.07 C +ATOM 395 C THR A 53 -9.341 -0.660 47.007 1.00 22.20 C +ATOM 396 O THR A 53 -9.190 0.407 46.409 1.00 21.60 O +ATOM 397 CB THR A 53 -11.228 -2.170 46.337 1.00 26.35 C +ATOM 398 OG1 THR A 53 -11.546 -2.990 47.470 1.00 30.42 O +ATOM 399 CG2 THR A 53 -11.755 -2.820 45.077 1.00 30.11 C +ATOM 400 N ASP A 54 -9.203 -0.763 48.320 1.00 22.56 N +ATOM 401 CA ASP A 54 -8.906 0.404 49.147 1.00 28.83 C +ATOM 402 C ASP A 54 -7.511 0.997 48.926 1.00 29.58 C +ATOM 403 O ASP A 54 -7.145 1.991 49.559 1.00 30.96 O +ATOM 404 CB ASP A 54 -9.098 0.055 50.621 1.00 28.44 C +ATOM 405 CG ASP A 54 -8.220 -1.081 51.055 1.00 30.65 C +ATOM 406 OD1 ASP A 54 -8.297 -2.157 50.424 1.00 34.21 O +ATOM 407 OD2 ASP A 54 -7.434 -0.894 52.004 1.00 34.86 O +ATOM 408 N TYR A 55 -6.717 0.349 48.081 1.00 30.37 N +ATOM 409 CA TYR A 55 -5.375 0.827 47.775 1.00 29.83 C +ATOM 410 C TYR A 55 -5.408 1.769 46.582 1.00 28.08 C +ATOM 411 O TYR A 55 -4.410 2.404 46.257 1.00 25.66 O +ATOM 412 CB TYR A 55 -4.435 -0.347 47.501 1.00 31.98 C +ATOM 413 CG TYR A 55 -3.723 -0.850 48.736 1.00 34.78 C +ATOM 414 CD1 TYR A 55 -2.669 -0.127 49.294 1.00 38.93 C +ATOM 415 CD2 TYR A 55 -4.093 -2.045 49.345 1.00 36.02 C +ATOM 416 CE1 TYR A 55 -1.993 -0.583 50.436 1.00 40.04 C +ATOM 417 CE2 TYR A 55 -3.429 -2.511 50.484 1.00 38.37 C +ATOM 418 CZ TYR A 55 -2.377 -1.775 51.022 1.00 37.28 C +ATOM 419 OH TYR A 55 -1.702 -2.233 52.128 1.00 30.59 O +ATOM 420 N PHE A 56 -6.564 1.847 45.931 1.00 29.79 N +ATOM 421 CA PHE A 56 -6.746 2.711 44.774 1.00 30.03 C +ATOM 422 C PHE A 56 -7.341 4.070 45.109 1.00 30.75 C +ATOM 423 O PHE A 56 -7.800 4.329 46.231 1.00 27.85 O +ATOM 424 CB PHE A 56 -7.615 2.029 43.716 1.00 26.23 C +ATOM 425 CG PHE A 56 -6.839 1.178 42.768 1.00 23.79 C +ATOM 426 CD1 PHE A 56 -6.263 1.738 41.637 1.00 24.40 C +ATOM 427 CD2 PHE A 56 -6.662 -0.174 43.015 1.00 25.59 C +ATOM 428 CE1 PHE A 56 -5.513 0.965 40.755 1.00 26.56 C +ATOM 429 CE2 PHE A 56 -5.916 -0.963 42.148 1.00 27.58 C +ATOM 430 CZ PHE A 56 -5.338 -0.390 41.011 1.00 29.27 C +ATOM 431 N ASN A 57 -7.316 4.935 44.107 1.00 30.43 N +ATOM 432 CA ASN A 57 -7.849 6.279 44.217 1.00 32.44 C +ATOM 433 C ASN A 57 -8.974 6.370 43.186 1.00 30.40 C +ATOM 434 O ASN A 57 -8.735 6.248 41.983 1.00 27.67 O +ATOM 435 CB ASN A 57 -6.739 7.288 43.916 1.00 34.21 C +ATOM 436 CG ASN A 57 -7.238 8.705 43.875 1.00 35.77 C +ATOM 437 OD1 ASN A 57 -7.922 9.101 42.933 1.00 32.29 O +ATOM 438 ND2 ASN A 57 -6.906 9.483 44.897 1.00 37.96 N +ATOM 439 N PRO A 58 -10.224 6.519 43.650 1.00 30.93 N +ATOM 440 CA PRO A 58 -11.401 6.617 42.778 1.00 32.89 C +ATOM 441 C PRO A 58 -11.499 7.949 42.025 1.00 37.30 C +ATOM 442 O PRO A 58 -12.319 8.105 41.114 1.00 39.10 O +ATOM 443 CB PRO A 58 -12.556 6.434 43.760 1.00 33.55 C +ATOM 444 CG PRO A 58 -12.038 7.089 45.004 1.00 34.02 C +ATOM 445 CD PRO A 58 -10.617 6.568 45.071 1.00 34.08 C +ATOM 446 N GLU A 59 -10.661 8.899 42.421 1.00 39.30 N +ATOM 447 CA GLU A 59 -10.620 10.223 41.823 1.00 40.89 C +ATOM 448 C GLU A 59 -9.788 10.187 40.529 1.00 40.85 C +ATOM 449 O GLU A 59 -9.958 11.037 39.649 1.00 42.52 O +ATOM 450 CB GLU A 59 -10.009 11.195 42.848 1.00 45.82 C +ATOM 451 CG GLU A 59 -10.081 12.687 42.535 1.00 49.55 C +ATOM 452 CD GLU A 59 -9.471 13.549 43.650 1.00 51.42 C +ATOM 453 OE1 GLU A 59 -10.106 13.709 44.721 1.00 48.04 O +ATOM 454 OE2 GLU A 59 -8.348 14.064 43.457 1.00 53.31 O +ATOM 455 N THR A 60 -8.889 9.209 40.412 1.00 35.34 N +ATOM 456 CA THR A 60 -8.046 9.092 39.224 1.00 33.76 C +ATOM 457 C THR A 60 -7.908 7.679 38.688 1.00 31.82 C +ATOM 458 O THR A 60 -7.675 7.492 37.495 1.00 37.95 O +ATOM 459 CB THR A 60 -6.599 9.608 39.465 1.00 33.69 C +ATOM 460 OG1 THR A 60 -5.923 8.758 40.408 1.00 35.69 O +ATOM 461 CG2 THR A 60 -6.604 11.041 39.963 1.00 34.70 C +ATOM 462 N GLY A 61 -7.984 6.691 39.572 1.00 31.00 N +ATOM 463 CA GLY A 61 -7.825 5.310 39.154 1.00 25.04 C +ATOM 464 C GLY A 61 -6.412 4.791 39.410 1.00 25.50 C +ATOM 465 O GLY A 61 -6.055 3.690 38.974 1.00 25.20 O +ATOM 466 N THR A 62 -5.575 5.603 40.051 1.00 19.53 N +ATOM 467 CA THR A 62 -4.221 5.169 40.378 1.00 22.64 C +ATOM 468 C THR A 62 -4.189 4.811 41.867 1.00 21.17 C +ATOM 469 O THR A 62 -5.188 4.969 42.575 1.00 24.26 O +ATOM 470 CB THR A 62 -3.167 6.267 40.095 1.00 24.28 C +ATOM 471 OG1 THR A 62 -3.451 6.896 38.840 1.00 28.36 O +ATOM 472 CG2 THR A 62 -1.762 5.647 40.020 1.00 25.33 C +ATOM 473 N LEU A 63 -3.068 4.273 42.325 1.00 16.55 N +ATOM 474 CA LEU A 63 -2.909 3.906 43.722 1.00 15.75 C +ATOM 475 C LEU A 63 -2.855 5.182 44.560 1.00 13.68 C +ATOM 476 O LEU A 63 -2.310 6.182 44.125 1.00 19.78 O +ATOM 477 CB LEU A 63 -1.620 3.077 43.899 1.00 12.50 C +ATOM 478 CG LEU A 63 -1.548 1.736 43.133 1.00 11.77 C +ATOM 479 CD1 LEU A 63 -0.177 1.122 43.245 1.00 16.54 C +ATOM 480 CD2 LEU A 63 -2.553 0.764 43.693 1.00 9.81 C +ATOM 481 N ARG A 64 -3.494 5.166 45.723 1.00 14.06 N +ATOM 482 CA ARG A 64 -3.490 6.310 46.634 1.00 15.82 C +ATOM 483 C ARG A 64 -2.063 6.408 47.174 1.00 16.53 C +ATOM 484 O ARG A 64 -1.281 5.479 46.992 1.00 19.02 O +ATOM 485 CB ARG A 64 -4.468 6.071 47.798 1.00 14.04 C +ATOM 486 CG ARG A 64 -4.197 4.797 48.592 1.00 15.61 C +ATOM 487 CD ARG A 64 -4.951 4.770 49.913 1.00 16.51 C +ATOM 488 NE ARG A 64 -4.686 3.559 50.702 1.00 16.04 N +ATOM 489 CZ ARG A 64 -3.576 3.338 51.407 1.00 15.75 C +ATOM 490 NH1 ARG A 64 -2.596 4.237 51.427 1.00 12.39 N +ATOM 491 NH2 ARG A 64 -3.464 2.233 52.133 1.00 11.67 N +ATOM 492 N ILE A 65 -1.703 7.509 47.826 1.00 15.32 N +ATOM 493 CA ILE A 65 -0.343 7.603 48.350 1.00 18.13 C +ATOM 494 C ILE A 65 -0.155 6.511 49.404 1.00 17.39 C +ATOM 495 O ILE A 65 -1.017 6.312 50.277 1.00 14.54 O +ATOM 496 CB ILE A 65 -0.003 9.009 48.927 1.00 18.12 C +ATOM 497 CG1 ILE A 65 0.009 10.036 47.787 1.00 17.84 C +ATOM 498 CG2 ILE A 65 1.385 8.987 49.600 1.00 16.36 C +ATOM 499 CD1 ILE A 65 0.394 11.444 48.209 1.00 16.86 C +ATOM 500 N LEU A 66 0.958 5.790 49.295 1.00 12.80 N +ATOM 501 CA LEU A 66 1.249 4.694 50.197 1.00 12.39 C +ATOM 502 C LEU A 66 2.353 4.992 51.196 1.00 17.35 C +ATOM 503 O LEU A 66 3.287 5.736 50.902 1.00 20.31 O +ATOM 504 CB LEU A 66 1.636 3.465 49.376 1.00 14.42 C +ATOM 505 CG LEU A 66 0.696 3.065 48.236 1.00 11.83 C +ATOM 506 CD1 LEU A 66 1.274 1.892 47.470 1.00 7.30 C +ATOM 507 CD2 LEU A 66 -0.679 2.734 48.792 1.00 15.00 C +ATOM 508 N GLN A 67 2.228 4.418 52.389 1.00 21.99 N +ATOM 509 CA GLN A 67 3.234 4.566 53.438 1.00 21.07 C +ATOM 510 C GLN A 67 4.343 3.548 53.123 1.00 18.03 C +ATOM 511 O GLN A 67 4.093 2.537 52.459 1.00 10.76 O +ATOM 512 CB GLN A 67 2.615 4.273 54.803 1.00 27.91 C +ATOM 513 CG GLN A 67 3.367 4.886 55.976 1.00 35.70 C +ATOM 514 CD GLN A 67 2.770 4.482 57.316 1.00 42.83 C +ATOM 515 OE1 GLN A 67 1.872 5.151 57.849 1.00 45.56 O +ATOM 516 NE2 GLN A 67 3.248 3.366 57.859 1.00 45.51 N +ATOM 517 N GLU A 68 5.555 3.794 53.609 1.00 15.03 N +ATOM 518 CA GLU A 68 6.668 2.894 53.317 1.00 15.79 C +ATOM 519 C GLU A 68 6.330 1.419 53.532 1.00 14.83 C +ATOM 520 O GLU A 68 6.502 0.594 52.635 1.00 12.75 O +ATOM 521 CB GLU A 68 7.924 3.310 54.101 1.00 14.48 C +ATOM 522 CG GLU A 68 9.174 2.485 53.763 1.00 21.10 C +ATOM 523 CD GLU A 68 10.468 3.298 53.809 1.00 22.83 C +ATOM 524 OE1 GLU A 68 10.505 4.350 54.482 1.00 23.04 O +ATOM 525 OE2 GLU A 68 11.455 2.888 53.161 1.00 21.47 O +ATOM 526 N GLU A 69 5.763 1.112 54.695 1.00 19.69 N +ATOM 527 CA GLU A 69 5.392 -0.256 55.049 1.00 19.29 C +ATOM 528 C GLU A 69 4.412 -0.847 54.049 1.00 17.64 C +ATOM 529 O GLU A 69 4.465 -2.044 53.744 1.00 15.90 O +ATOM 530 CB GLU A 69 4.780 -0.285 56.442 1.00 21.34 C +ATOM 531 CG GLU A 69 4.735 -1.655 57.051 1.00 27.88 C +ATOM 532 CD GLU A 69 4.200 -1.611 58.453 1.00 35.04 C +ATOM 533 OE1 GLU A 69 2.967 -1.495 58.600 1.00 42.01 O +ATOM 534 OE2 GLU A 69 5.006 -1.658 59.407 1.00 36.61 O +ATOM 535 N GLU A 70 3.522 0.005 53.544 1.00 13.62 N +ATOM 536 CA GLU A 70 2.523 -0.406 52.570 1.00 12.86 C +ATOM 537 C GLU A 70 3.100 -0.733 51.196 1.00 11.40 C +ATOM 538 O GLU A 70 2.775 -1.777 50.628 1.00 12.28 O +ATOM 539 CB GLU A 70 1.454 0.663 52.431 1.00 17.89 C +ATOM 540 CG GLU A 70 0.614 0.858 53.673 1.00 19.48 C +ATOM 541 CD GLU A 70 -0.422 1.930 53.483 1.00 21.80 C +ATOM 542 OE1 GLU A 70 -0.212 2.816 52.632 1.00 25.13 O +ATOM 543 OE2 GLU A 70 -1.457 1.888 54.173 1.00 23.43 O +ATOM 544 N TRP A 71 3.928 0.151 50.633 1.00 9.32 N +ATOM 545 CA TRP A 71 4.482 -0.173 49.326 1.00 6.20 C +ATOM 546 C TRP A 71 5.510 -1.281 49.450 1.00 6.94 C +ATOM 547 O TRP A 71 5.740 -2.009 48.493 1.00 7.62 O +ATOM 548 CB TRP A 71 4.980 1.044 48.518 1.00 4.11 C +ATOM 549 CG TRP A 71 5.938 2.015 49.183 1.00 5.51 C +ATOM 550 CD1 TRP A 71 5.634 3.256 49.664 1.00 6.98 C +ATOM 551 CD2 TRP A 71 7.358 1.861 49.354 1.00 4.07 C +ATOM 552 NE1 TRP A 71 6.770 3.884 50.112 1.00 2.12 N +ATOM 553 CE2 TRP A 71 7.840 3.052 49.930 1.00 2.00 C +ATOM 554 CE3 TRP A 71 8.266 0.832 49.073 1.00 4.52 C +ATOM 555 CZ2 TRP A 71 9.186 3.241 50.227 1.00 5.04 C +ATOM 556 CZ3 TRP A 71 9.604 1.025 49.373 1.00 2.00 C +ATOM 557 CH2 TRP A 71 10.047 2.217 49.940 1.00 2.27 C +ATOM 558 N ARG A 72 6.093 -1.448 50.640 1.00 11.49 N +ATOM 559 CA ARG A 72 7.044 -2.546 50.845 1.00 14.83 C +ATOM 560 C ARG A 72 6.230 -3.834 50.902 1.00 15.52 C +ATOM 561 O ARG A 72 6.706 -4.891 50.505 1.00 19.98 O +ATOM 562 CB ARG A 72 7.906 -2.365 52.104 1.00 15.52 C +ATOM 563 CG ARG A 72 8.980 -1.283 51.952 1.00 16.54 C +ATOM 564 CD ARG A 72 10.107 -1.408 52.970 1.00 21.39 C +ATOM 565 NE ARG A 72 11.096 -0.326 52.856 1.00 26.25 N +ATOM 566 CZ ARG A 72 12.215 -0.385 52.129 1.00 26.44 C +ATOM 567 NH1 ARG A 72 12.522 -1.472 51.430 1.00 21.52 N +ATOM 568 NH2 ARG A 72 13.031 0.662 52.090 1.00 24.54 N +ATOM 569 N GLY A 73 4.972 -3.721 51.314 1.00 16.25 N +ATOM 570 CA GLY A 73 4.098 -4.878 51.371 1.00 18.12 C +ATOM 571 C GLY A 73 3.623 -5.336 49.997 1.00 20.67 C +ATOM 572 O GLY A 73 2.979 -6.373 49.880 1.00 19.53 O +ATOM 573 N LEU A 74 3.938 -4.572 48.954 1.00 21.52 N +ATOM 574 CA LEU A 74 3.530 -4.935 47.600 1.00 22.34 C +ATOM 575 C LEU A 74 4.649 -5.630 46.824 1.00 21.91 C +ATOM 576 O LEU A 74 4.421 -6.196 45.752 1.00 21.17 O +ATOM 577 CB LEU A 74 3.043 -3.704 46.832 1.00 24.48 C +ATOM 578 CG LEU A 74 1.779 -3.012 47.358 1.00 26.71 C +ATOM 579 CD1 LEU A 74 1.561 -1.733 46.587 1.00 30.27 C +ATOM 580 CD2 LEU A 74 0.555 -3.921 47.245 1.00 26.53 C +ATOM 581 N GLY A 75 5.856 -5.601 47.373 1.00 17.46 N +ATOM 582 CA GLY A 75 6.973 -6.236 46.700 1.00 15.73 C +ATOM 583 C GLY A 75 7.945 -5.247 46.101 1.00 12.42 C +ATOM 584 O GLY A 75 8.827 -5.608 45.332 1.00 16.90 O +ATOM 585 N ILE A 76 7.783 -3.987 46.460 1.00 12.54 N +ATOM 586 CA ILE A 76 8.655 -2.950 45.963 1.00 12.74 C +ATOM 587 C ILE A 76 9.835 -2.831 46.913 1.00 10.72 C +ATOM 588 O ILE A 76 9.642 -2.666 48.123 1.00 14.54 O +ATOM 589 CB ILE A 76 7.916 -1.597 45.912 1.00 10.08 C +ATOM 590 CG1 ILE A 76 6.715 -1.696 44.975 1.00 6.79 C +ATOM 591 CG2 ILE A 76 8.866 -0.480 45.490 1.00 9.22 C +ATOM 592 CD1 ILE A 76 5.828 -0.472 45.004 1.00 9.42 C +ATOM 593 N THR A 77 11.047 -2.951 46.380 1.00 9.38 N +ATOM 594 CA THR A 77 12.237 -2.807 47.203 1.00 9.86 C +ATOM 595 C THR A 77 13.089 -1.619 46.766 1.00 8.70 C +ATOM 596 O THR A 77 13.389 -1.448 45.577 1.00 10.52 O +ATOM 597 CB THR A 77 13.092 -4.103 47.267 1.00 9.72 C +ATOM 598 OG1 THR A 77 14.255 -3.854 48.062 1.00 12.44 O +ATOM 599 CG2 THR A 77 13.526 -4.573 45.879 1.00 2.51 C +ATOM 600 N GLN A 78 13.442 -0.784 47.741 1.00 10.52 N +ATOM 601 CA GLN A 78 14.256 0.407 47.522 1.00 8.05 C +ATOM 602 C GLN A 78 15.030 0.744 48.785 1.00 6.41 C +ATOM 603 O GLN A 78 14.841 0.139 49.840 1.00 6.47 O +ATOM 604 CB GLN A 78 13.381 1.621 47.207 1.00 13.32 C +ATOM 605 CG GLN A 78 12.715 1.642 45.868 1.00 19.60 C +ATOM 606 CD GLN A 78 11.798 2.841 45.720 1.00 16.32 C +ATOM 607 OE1 GLN A 78 10.674 2.845 46.215 1.00 11.98 O +ATOM 608 NE2 GLN A 78 12.284 3.870 45.049 1.00 17.37 N +ATOM 609 N SER A 79 15.856 1.771 48.663 1.00 6.96 N +ATOM 610 CA SER A 79 16.677 2.290 49.742 1.00 15.58 C +ATOM 611 C SER A 79 15.777 2.966 50.787 1.00 15.41 C +ATOM 612 O SER A 79 14.557 3.093 50.604 1.00 11.89 O +ATOM 613 CB SER A 79 17.629 3.346 49.142 1.00 18.21 C +ATOM 614 OG SER A 79 18.552 3.839 50.092 1.00 24.85 O +ATOM 615 N LEU A 80 16.370 3.388 51.896 1.00 17.58 N +ATOM 616 CA LEU A 80 15.595 4.112 52.895 1.00 16.78 C +ATOM 617 C LEU A 80 15.525 5.560 52.370 1.00 13.39 C +ATOM 618 O LEU A 80 16.394 5.972 51.606 1.00 14.50 O +ATOM 619 CB LEU A 80 16.306 4.095 54.257 1.00 13.49 C +ATOM 620 CG LEU A 80 16.209 2.925 55.243 1.00 11.92 C +ATOM 621 CD1 LEU A 80 14.772 2.426 55.369 1.00 7.52 C +ATOM 622 CD2 LEU A 80 17.104 1.818 54.811 1.00 15.68 C +ATOM 623 N GLY A 81 14.471 6.301 52.696 1.00 11.00 N +ATOM 624 CA GLY A 81 14.421 7.691 52.275 1.00 12.15 C +ATOM 625 C GLY A 81 13.384 8.194 51.298 1.00 14.58 C +ATOM 626 O GLY A 81 13.008 9.363 51.367 1.00 16.57 O +ATOM 627 N TRP A 82 12.922 7.338 50.394 1.00 17.54 N +ATOM 628 CA TRP A 82 11.946 7.737 49.388 1.00 12.55 C +ATOM 629 C TRP A 82 10.551 7.940 49.940 1.00 14.97 C +ATOM 630 O TRP A 82 10.150 7.314 50.927 1.00 11.78 O +ATOM 631 CB TRP A 82 11.876 6.701 48.268 1.00 11.63 C +ATOM 632 CG TRP A 82 13.174 6.459 47.549 1.00 8.31 C +ATOM 633 CD1 TRP A 82 14.019 5.408 47.727 1.00 2.00 C +ATOM 634 CD2 TRP A 82 13.757 7.275 46.515 1.00 4.46 C +ATOM 635 NE1 TRP A 82 15.091 5.513 46.874 1.00 3.93 N +ATOM 636 CE2 TRP A 82 14.959 6.647 46.119 1.00 3.11 C +ATOM 637 CE3 TRP A 82 13.383 8.472 45.894 1.00 2.22 C +ATOM 638 CZ2 TRP A 82 15.791 7.174 45.132 1.00 2.00 C +ATOM 639 CZ3 TRP A 82 14.212 8.996 44.913 1.00 2.63 C +ATOM 640 CH2 TRP A 82 15.407 8.344 44.541 1.00 2.00 C +ATOM 641 N GLU A 83 9.810 8.831 49.303 1.00 14.17 N +ATOM 642 CA GLU A 83 8.439 9.082 49.708 1.00 18.28 C +ATOM 643 C GLU A 83 7.571 9.242 48.464 1.00 15.39 C +ATOM 644 O GLU A 83 7.896 9.997 47.545 1.00 17.22 O +ATOM 645 CB GLU A 83 8.350 10.284 50.655 1.00 20.83 C +ATOM 646 CG GLU A 83 8.932 11.574 50.130 1.00 30.92 C +ATOM 647 CD GLU A 83 9.487 12.459 51.238 1.00 37.57 C +ATOM 648 OE1 GLU A 83 9.047 12.327 52.410 1.00 38.62 O +ATOM 649 OE2 GLU A 83 10.372 13.288 50.932 1.00 38.79 O +ATOM 650 N MET A 84 6.518 8.443 48.397 1.00 11.53 N +ATOM 651 CA MET A 84 5.611 8.471 47.265 1.00 11.26 C +ATOM 652 C MET A 84 4.732 9.733 47.260 1.00 13.72 C +ATOM 653 O MET A 84 4.339 10.229 48.317 1.00 12.40 O +ATOM 654 CB MET A 84 4.747 7.208 47.288 1.00 5.28 C +ATOM 655 CG MET A 84 3.720 7.125 46.178 1.00 4.55 C +ATOM 656 SD MET A 84 2.756 5.647 46.377 1.00 7.90 S +ATOM 657 CE MET A 84 1.943 5.516 44.773 1.00 2.07 C +ATOM 658 N TYR A 85 4.452 10.260 46.070 1.00 14.29 N +ATOM 659 CA TYR A 85 3.606 11.439 45.932 1.00 10.54 C +ATOM 660 C TYR A 85 2.654 11.242 44.776 1.00 12.90 C +ATOM 661 O TYR A 85 2.699 10.206 44.112 1.00 13.25 O +ATOM 662 CB TYR A 85 4.431 12.718 45.745 1.00 8.52 C +ATOM 663 CG TYR A 85 5.321 12.753 44.535 1.00 5.44 C +ATOM 664 CD1 TYR A 85 6.522 12.052 44.509 1.00 7.20 C +ATOM 665 CD2 TYR A 85 4.988 13.530 43.430 1.00 10.87 C +ATOM 666 CE1 TYR A 85 7.381 12.130 43.414 1.00 6.00 C +ATOM 667 CE2 TYR A 85 5.838 13.611 42.317 1.00 10.78 C +ATOM 668 CZ TYR A 85 7.033 12.909 42.320 1.00 8.03 C +ATOM 669 OH TYR A 85 7.874 12.985 41.233 1.00 7.41 O +ATOM 670 N GLU A 86 1.797 12.236 44.549 1.00 15.39 N +ATOM 671 CA GLU A 86 0.798 12.209 43.483 1.00 16.91 C +ATOM 672 C GLU A 86 0.683 13.538 42.735 1.00 18.43 C +ATOM 673 O GLU A 86 1.145 14.576 43.197 1.00 19.19 O +ATOM 674 CB GLU A 86 -0.577 11.926 44.063 1.00 20.12 C +ATOM 675 CG GLU A 86 -0.855 10.507 44.444 1.00 26.17 C +ATOM 676 CD GLU A 86 -2.335 10.295 44.671 1.00 28.13 C +ATOM 677 OE1 GLU A 86 -2.931 11.100 45.422 1.00 26.45 O +ATOM 678 OE2 GLU A 86 -2.902 9.353 44.069 1.00 27.64 O +ATOM 679 N VAL A 87 0.013 13.494 41.593 1.00 20.36 N +ATOM 680 CA VAL A 87 -0.220 14.676 40.783 1.00 23.34 C +ATOM 681 C VAL A 87 -1.709 14.991 40.898 1.00 24.21 C +ATOM 682 O VAL A 87 -2.559 14.142 40.607 1.00 23.76 O +ATOM 683 CB VAL A 87 0.180 14.420 39.316 1.00 21.95 C +ATOM 684 CG1 VAL A 87 -0.218 15.594 38.426 1.00 25.17 C +ATOM 685 CG2 VAL A 87 1.679 14.200 39.240 1.00 17.69 C +ATOM 686 N HIS A 88 -2.025 16.177 41.409 1.00 26.61 N +ATOM 687 CA HIS A 88 -3.419 16.560 41.567 1.00 28.38 C +ATOM 688 C HIS A 88 -3.913 17.536 40.515 1.00 27.17 C +ATOM 689 O HIS A 88 -3.566 18.723 40.536 1.00 22.63 O +ATOM 690 CB HIS A 88 -3.700 17.129 42.956 1.00 35.14 C +ATOM 691 CG HIS A 88 -5.155 17.394 43.199 1.00 43.25 C +ATOM 692 ND1 HIS A 88 -5.617 18.548 43.798 1.00 47.96 N +ATOM 693 CD2 HIS A 88 -6.254 16.669 42.882 1.00 42.85 C +ATOM 694 CE1 HIS A 88 -6.938 18.523 43.836 1.00 46.96 C +ATOM 695 NE2 HIS A 88 -7.349 17.395 43.287 1.00 46.74 N +ATOM 696 N VAL A 89 -4.760 17.025 39.626 1.00 20.52 N +ATOM 697 CA VAL A 89 -5.351 17.809 38.556 1.00 15.12 C +ATOM 698 C VAL A 89 -6.453 18.719 39.093 1.00 14.93 C +ATOM 699 O VAL A 89 -7.331 18.286 39.845 1.00 14.79 O +ATOM 700 CB VAL A 89 -5.924 16.883 37.444 1.00 13.50 C +ATOM 701 CG1 VAL A 89 -6.688 17.695 36.389 1.00 16.14 C +ATOM 702 CG2 VAL A 89 -4.782 16.121 36.757 1.00 15.46 C +ATOM 703 N PRO A 90 -6.390 20.012 38.761 1.00 12.83 N +ATOM 704 CA PRO A 90 -7.402 20.969 39.216 1.00 12.97 C +ATOM 705 C PRO A 90 -8.742 20.785 38.505 1.00 15.35 C +ATOM 706 O PRO A 90 -8.846 20.049 37.517 1.00 20.08 O +ATOM 707 CB PRO A 90 -6.773 22.313 38.860 1.00 9.71 C +ATOM 708 CG PRO A 90 -5.959 21.990 37.653 1.00 12.14 C +ATOM 709 CD PRO A 90 -5.293 20.705 38.069 1.00 10.29 C +ATOM 710 N GLU A 91 -9.771 21.425 39.047 1.00 14.67 N +ATOM 711 CA GLU A 91 -11.117 21.393 38.486 1.00 15.99 C +ATOM 712 C GLU A 91 -11.095 22.265 37.215 1.00 12.15 C +ATOM 713 O GLU A 91 -10.239 23.146 37.094 1.00 12.52 O +ATOM 714 CB GLU A 91 -12.100 21.966 39.512 1.00 24.23 C +ATOM 715 CG GLU A 91 -12.349 21.078 40.728 1.00 35.87 C +ATOM 716 CD GLU A 91 -11.071 20.688 41.459 1.00 43.98 C +ATOM 717 OE1 GLU A 91 -10.386 21.580 42.024 1.00 44.63 O +ATOM 718 OE2 GLU A 91 -10.751 19.476 41.460 1.00 50.12 O +ATOM 719 N PRO A 92 -12.076 22.091 36.304 1.00 9.48 N +ATOM 720 CA PRO A 92 -12.178 22.843 35.044 1.00 11.98 C +ATOM 721 C PRO A 92 -12.233 24.357 35.190 1.00 15.40 C +ATOM 722 O PRO A 92 -11.969 25.080 34.221 1.00 18.63 O +ATOM 723 CB PRO A 92 -13.486 22.331 34.428 1.00 13.79 C +ATOM 724 CG PRO A 92 -13.654 20.983 35.009 1.00 10.44 C +ATOM 725 CD PRO A 92 -13.233 21.193 36.449 1.00 11.19 C +ATOM 726 N HIS A 93 -12.595 24.854 36.371 1.00 15.98 N +ATOM 727 CA HIS A 93 -12.668 26.301 36.546 1.00 15.41 C +ATOM 728 C HIS A 93 -11.391 26.960 37.069 1.00 17.47 C +ATOM 729 O HIS A 93 -11.362 28.171 37.299 1.00 17.45 O +ATOM 730 CB HIS A 93 -13.881 26.697 37.387 1.00 15.14 C +ATOM 731 CG HIS A 93 -13.728 26.433 38.852 1.00 18.65 C +ATOM 732 ND1 HIS A 93 -13.984 25.203 39.421 1.00 17.34 N +ATOM 733 CD2 HIS A 93 -13.359 27.250 39.868 1.00 18.90 C +ATOM 734 CE1 HIS A 93 -13.771 25.272 40.722 1.00 16.09 C +ATOM 735 NE2 HIS A 93 -13.390 26.503 41.018 1.00 16.73 N +ATOM 736 N ILE A 94 -10.328 26.177 37.235 1.00 15.17 N +ATOM 737 CA ILE A 94 -9.058 26.719 37.719 1.00 13.79 C +ATOM 738 C ILE A 94 -8.002 26.509 36.635 1.00 11.47 C +ATOM 739 O ILE A 94 -7.832 25.399 36.137 1.00 19.44 O +ATOM 740 CB ILE A 94 -8.613 26.030 39.034 1.00 13.64 C +ATOM 741 CG1 ILE A 94 -9.715 26.145 40.086 1.00 9.75 C +ATOM 742 CG2 ILE A 94 -7.338 26.660 39.560 1.00 12.04 C +ATOM 743 CD1 ILE A 94 -9.432 25.362 41.343 1.00 19.86 C +ATOM 744 N LEU A 95 -7.352 27.596 36.233 1.00 11.54 N +ATOM 745 CA LEU A 95 -6.312 27.583 35.209 1.00 7.98 C +ATOM 746 C LEU A 95 -4.981 27.916 35.885 1.00 10.44 C +ATOM 747 O LEU A 95 -4.920 28.845 36.702 1.00 7.92 O +ATOM 748 CB LEU A 95 -6.613 28.629 34.126 1.00 9.59 C +ATOM 749 CG LEU A 95 -8.035 28.800 33.583 1.00 6.79 C +ATOM 750 CD1 LEU A 95 -7.968 29.650 32.332 1.00 7.19 C +ATOM 751 CD2 LEU A 95 -8.664 27.454 33.269 1.00 16.78 C +ATOM 752 N LEU A 96 -3.918 27.199 35.510 1.00 10.91 N +ATOM 753 CA LEU A 96 -2.591 27.372 36.114 1.00 10.79 C +ATOM 754 C LEU A 96 -1.599 28.058 35.165 1.00 10.59 C +ATOM 755 O LEU A 96 -1.501 27.690 33.994 1.00 11.57 O +ATOM 756 CB LEU A 96 -2.036 25.998 36.541 1.00 10.19 C +ATOM 757 CG LEU A 96 -2.920 25.013 37.339 1.00 13.59 C +ATOM 758 CD1 LEU A 96 -2.257 23.617 37.411 1.00 7.59 C +ATOM 759 CD2 LEU A 96 -3.187 25.552 38.740 1.00 12.68 C +ATOM 760 N PHE A 97 -0.829 29.008 35.693 1.00 7.30 N +ATOM 761 CA PHE A 97 0.146 29.776 34.913 1.00 9.33 C +ATOM 762 C PHE A 97 1.526 29.769 35.563 1.00 10.77 C +ATOM 763 O PHE A 97 1.654 29.517 36.763 1.00 14.27 O +ATOM 764 CB PHE A 97 -0.303 31.242 34.785 1.00 6.47 C +ATOM 765 CG PHE A 97 -1.519 31.440 33.938 1.00 10.80 C +ATOM 766 CD1 PHE A 97 -1.410 31.528 32.553 1.00 9.58 C +ATOM 767 CD2 PHE A 97 -2.784 31.529 34.520 1.00 14.53 C +ATOM 768 CE1 PHE A 97 -2.544 31.696 31.758 1.00 9.23 C +ATOM 769 CE2 PHE A 97 -3.930 31.698 33.729 1.00 7.02 C +ATOM 770 CZ PHE A 97 -3.810 31.780 32.350 1.00 10.16 C +ATOM 771 N LYS A 98 2.557 30.038 34.769 1.00 12.71 N +ATOM 772 CA LYS A 98 3.920 30.102 35.289 1.00 17.16 C +ATOM 773 C LYS A 98 4.772 30.952 34.370 1.00 18.14 C +ATOM 774 O LYS A 98 4.431 31.148 33.202 1.00 20.28 O +ATOM 775 CB LYS A 98 4.549 28.712 35.416 1.00 15.09 C +ATOM 776 CG LYS A 98 4.893 28.050 34.092 1.00 19.25 C +ATOM 777 CD LYS A 98 5.699 26.789 34.319 1.00 21.05 C +ATOM 778 CE LYS A 98 6.117 26.143 33.016 1.00 26.20 C +ATOM 779 NZ LYS A 98 7.012 27.041 32.234 1.00 34.34 N +ATOM 780 N ARG A 99 5.838 31.516 34.916 1.00 23.20 N +ATOM 781 CA ARG A 99 6.752 32.322 34.116 1.00 29.55 C +ATOM 782 C ARG A 99 8.153 32.144 34.659 1.00 31.24 C +ATOM 783 O ARG A 99 8.340 32.071 35.877 1.00 26.67 O +ATOM 784 CB ARG A 99 6.376 33.808 34.125 1.00 32.44 C +ATOM 785 CG ARG A 99 6.513 34.507 35.471 1.00 38.98 C +ATOM 786 CD ARG A 99 6.971 35.958 35.307 1.00 41.53 C +ATOM 787 NE ARG A 99 6.136 36.729 34.382 1.00 39.77 N +ATOM 788 CZ ARG A 99 5.525 37.872 34.690 1.00 39.31 C +ATOM 789 NH1 ARG A 99 5.641 38.394 35.909 1.00 32.85 N +ATOM 790 NH2 ARG A 99 4.805 38.502 33.770 1.00 39.52 N +ATOM 791 N GLU A 100 9.123 32.006 33.753 1.00 38.53 N +ATOM 792 CA GLU A 100 10.527 31.853 34.133 1.00 39.29 C +ATOM 793 C GLU A 100 10.789 33.033 35.052 1.00 42.04 C +ATOM 794 O GLU A 100 10.673 34.182 34.620 1.00 42.77 O +ATOM 795 CB GLU A 100 11.411 31.928 32.902 1.00 38.91 C +ATOM 796 N LYS A 101 11.056 32.740 36.324 1.00 44.40 N +ATOM 797 CA LYS A 101 11.280 33.764 37.346 1.00 48.50 C +ATOM 798 C LYS A 101 11.855 35.084 36.828 1.00 50.06 C +ATOM 799 O LYS A 101 13.074 35.258 36.719 1.00 48.00 O +ATOM 800 CB LYS A 101 12.124 33.208 38.498 1.00 48.78 C +ATOM 801 CG LYS A 101 12.325 34.190 39.646 1.00 51.68 C +ATOM 802 CD LYS A 101 10.993 34.649 40.231 1.00 53.50 C +ATOM 803 CE LYS A 101 11.190 35.725 41.291 1.00 51.59 C +ATOM 804 NZ LYS A 101 9.935 36.054 42.021 1.00 46.67 N +ATOM 805 N ASP A 102 10.946 35.995 36.490 1.00 53.20 N +ATOM 806 CA ASP A 102 11.299 37.307 35.967 1.00 55.63 C +ATOM 807 C ASP A 102 11.076 38.388 37.021 1.00 58.07 C +ATOM 808 O ASP A 102 11.159 39.583 36.653 1.00 62.86 O +ATOM 809 CB ASP A 102 10.476 37.605 34.711 1.00 55.58 C +TER 810 ASP A 102 +END diff --git a/eval/aggregate_main_benchmark.py b/eval/aggregate_main_benchmark.py new file mode 100644 index 0000000000000000000000000000000000000000..95a5bb190805e523b6b432baf2069c8993598403 --- /dev/null +++ b/eval/aggregate_main_benchmark.py @@ -0,0 +1,188 @@ +#!/usr/bin/env python3 +"""Aggregate per-(case, method) evals.tsv into main_benchmark main_table and pattern_summary.""" +from __future__ import annotations +import csv +import math +import os +from pathlib import Path + +import yaml + +# Bundled benchmark data (cases.yaml) ships in bench/main_benchmark alongside this +# script; the per-(case,method) results tree (evals.tsv, *_summary.tsv) is supplied +# by the user via SF_MAIN_BENCH_RESULTS (predictions are not distributed with the package). +DATA_ROOT = Path(os.environ.get( + "SF_MAIN_BENCH_DATA", Path(__file__).resolve().parents[1] / "bench" / "main_benchmark")) +RES_ROOT = Path(os.environ.get( + "SF_MAIN_BENCH_RESULTS", Path(__file__).resolve().parents[1] / "bench" / "main_benchmark" / "results")) + +METHODS = ["mosaic_raw", "gradient_raw", "af_cluster", + "depth_matched_random", "diversity_matched_random", "fi_shuffled_control"] + + +def load_cases() -> dict[str, dict]: + cs = yaml.safe_load((DATA_ROOT / "cases.yaml").read_text())["cases"] + return {c["case_id"]: c for c in cs} + + +def is_id(case_id: str) -> bool: + return case_id.startswith("SFB_ID_") + + +def parse_tsv(path: Path) -> list[dict]: + if not path.exists(): + return [] + with path.open() as f: + return list(csv.DictReader(f, delimiter="\t")) + + +def _f(x): + try: + v = float(x) + if math.isnan(v): + return None + return v + except Exception: + return None + + +def _hit(x): + return x in ("1", "True", "true") + + +def main(): + cases = load_cases() + pattern_map = {"FS": "fold_switch_metamorphic", + "AL": "allosteric_ligand_induced", + "ID": "idp_idr_disorder_to_order", + "OL": "oligomer_domain_swap"} + + main_rows = [] + for cid, case in cases.items(): + pattern = case["pattern"] + pat_short = cid.split("_")[1] # FS / AL / ID / OL + for method in METHODS: + screen_summary = RES_ROOT / cid / method / "screen_summary.tsv" + refine_summary = RES_ROOT / cid / method / "refine_summary.tsv" + evals_tsv = RES_ROOT / cid / method / "refine_per_state" / "evals.tsv" + + screen_rows = parse_tsv(screen_summary) + refine_rows = parse_tsv(refine_summary) + eval_rows = parse_tsv(evals_tsv) + + n_screen = len(screen_rows) + n_refine = len(refine_rows) + n_eval = len(eval_rows) + + hit_a = sum(1 for r in eval_rows if _hit(r.get("state_a__hit_primary", "0"))) + best_rmsd_a_vals = [_f(r.get("state_a__rmsd_common_core_A")) + for r in eval_rows] + best_rmsd_a_vals = [v for v in best_rmsd_a_vals if v is not None] + best_rmsd_a = min(best_rmsd_a_vals) if best_rmsd_a_vals else None + + if is_id(cid): + hit_b = None + best_rmsd_b = None + else: + hit_b = sum(1 for r in eval_rows if _hit(r.get("state_b__hit_primary", "0"))) + best_rmsd_b_vals = [_f(r.get("state_b__rmsd_common_core_A")) + for r in eval_rows] + best_rmsd_b_vals = [v for v in best_rmsd_b_vals if v is not None] + best_rmsd_b = min(best_rmsd_b_vals) if best_rmsd_b_vals else None + + main_rows.append({ + "case_id": cid, + "pattern": pattern, + "pattern_short": pat_short, + "method": method, + "n_screen": n_screen, + "n_refine": n_refine, + "n_eval": n_eval, + "hit_count_stateA": hit_a, + "hit_count_stateB": "NA" if hit_b is None else hit_b, + "hit_rate_stateA": f"{hit_a / n_eval:.4f}" if n_eval else "NA", + "hit_rate_stateB": ("NA" if hit_b is None else + (f"{hit_b / n_eval:.4f}" if n_eval else "NA")), + "best_rmsd_stateA": f"{best_rmsd_a:.3f}" if best_rmsd_a is not None else "NA", + "best_rmsd_stateB": ("NA" if best_rmsd_b is None else + (f"{best_rmsd_b:.3f}" if best_rmsd_b is not None else "NA")), + "total_inferences": n_screen + n_refine, + }) + + # main_table.csv + out_main = RES_ROOT / "main_table.csv" + out_main.parent.mkdir(parents=True, exist_ok=True) + cols = ["case_id", "pattern", "pattern_short", "method", + "n_screen", "n_refine", "n_eval", + "hit_count_stateA", "hit_count_stateB", + "hit_rate_stateA", "hit_rate_stateB", + "best_rmsd_stateA", "best_rmsd_stateB", + "total_inferences"] + with out_main.open("w") as f: + f.write(",".join(cols) + "\n") + for r in main_rows: + f.write(",".join(str(r[c]) for c in cols) + "\n") + print(f"wrote {len(main_rows)} rows → {out_main}") + + # pattern_summary.csv: per (pattern, method) → mean hit_rate (A) and (B), n_cases + pat_summary: dict[tuple[str, str], dict] = {} + for r in main_rows: + key = (r["pattern_short"], r["method"]) + s = pat_summary.setdefault(key, {"hit_rates_A": [], "hit_rates_B": [], + "cases_with_data": 0}) + if r["n_eval"] and r["n_eval"] != 0 and r["hit_rate_stateA"] != "NA": + try: + s["hit_rates_A"].append(float(r["hit_rate_stateA"])) + s["cases_with_data"] += 1 + except Exception: + pass + if r["hit_rate_stateB"] not in ("NA", ""): + try: + s["hit_rates_B"].append(float(r["hit_rate_stateB"])) + except Exception: + pass + + import statistics + pat_rows = [] + for (pat, method), s in pat_summary.items(): + a = s["hit_rates_A"] + b = s["hit_rates_B"] + pat_rows.append({ + "pattern": pat, + "method": method, + "n_cases": s["cases_with_data"], + "mean_hit_rate_stateA": f"{statistics.mean(a):.4f}" if a else "NA", + "std_hit_rate_stateA": f"{statistics.pstdev(a):.4f}" if len(a) > 1 else "NA", + "mean_hit_rate_stateB": f"{statistics.mean(b):.4f}" if b else "NA", + "std_hit_rate_stateB": f"{statistics.pstdev(b):.4f}" if len(b) > 1 else "NA", + }) + + out_pat = RES_ROOT / "pattern_summary.csv" + pcols = ["pattern", "method", "n_cases", + "mean_hit_rate_stateA", "std_hit_rate_stateA", + "mean_hit_rate_stateB", "std_hit_rate_stateB"] + pat_rows.sort(key=lambda x: (x["pattern"], x["method"])) + with out_pat.open("w") as f: + f.write(",".join(pcols) + "\n") + for r in pat_rows: + f.write(",".join(str(r[c]) for c in pcols) + "\n") + print(f"wrote {len(pat_rows)} rows → {out_pat}") + + # Print headline table + print("\n=== Per-pattern × method (mean hit_rate_stateA) ===") + pats = ["FS", "AL", "ID", "OL"] + print(f"{'pattern':<8}" + "".join(f"{m:<28}" for m in METHODS)) + for p in pats: + line = f"{p:<8}" + for m in METHODS: + row = next((r for r in pat_rows + if r["pattern"] == p and r["method"] == m), None) + if row: + line += f"{row['mean_hit_rate_stateA']:<8} (n={row['n_cases']:<2}) " + else: + line += f"{'--':<28}" + print(line) + + +if __name__ == "__main__": + main() diff --git a/eval/main_benchmark_evaluate.py b/eval/main_benchmark_evaluate.py new file mode 100644 index 0000000000000000000000000000000000000000..8bb9b604dedbca1ffe2d4dd3a159e6f51568ffd7 --- /dev/null +++ b/eval/main_benchmark_evaluate.py @@ -0,0 +1,341 @@ +#!/usr/bin/env python3 +"""main_benchmark §9.1 evaluator. + +For each prediction PDB under , computes: +- mean_plddt_overall, mean_plddt_switch, mean_plddt_core +- For each state (a, b): Cα RMSD common_core, TM-score, hit_primary (§9.1 binding 3-condition) + +Regions come from data/main_benchmark/annotations//state_region_FINAL.tsv +Reference PDBs come from data/main_benchmark/structures//{state_a,state_b}.pdb + +ID-pattern cases (state_a == state_b): single hit column hit_primary_state_a. +Per IDP_EVAL_OVERRIDE: treat the whole query region as the target region; +RMSD ≤3Å AND mean_pLDDT ≥70 → hit_primary=True. switch_region pLDDT check is +skipped because every residue is marked switch_region. + +Usage: + python scripts/main_benchmark_evaluate.py --case --root +""" +from __future__ import annotations +import argparse +import csv +import json +import os +import re +import shutil +import subprocess +import sys +from pathlib import Path + +import numpy as np +import yaml +from Bio.PDB import PDBParser, Superimposer + +# Benchmark data root: env override, else the bundled bench/main_benchmark that +# ships alongside this script (eval/ and bench/ are siblings at the repo root). +DATA_ROOT = Path(os.environ.get( + "SF_MAIN_BENCH_DATA", Path(__file__).resolve().parents[1] / "bench" / "main_benchmark")) +# TMalign is optional: it only fills the TM-score columns and is NOT part of the +# hit_primary criterion. Resolved from PATH; None -> those columns are NaN. +TMALIGN = shutil.which("TMalign") + +PRED_NAME_RE = re.compile( + r"^(?P.+?)_unrelaxed_rank_(?P\d+)_alphafold2_ptm_model_(?P\d+)_seed_(?P\d+)\.pdb$" +) + +_CASES_CACHE: dict[str, dict] | None = None + + +def load_case(case_id: str) -> dict: + global _CASES_CACHE + if _CASES_CACHE is None: + cases = yaml.safe_load((DATA_ROOT / "cases.yaml").read_text())["cases"] + _CASES_CACHE = {c["case_id"]: c for c in cases} + return _CASES_CACHE[case_id] + + +def load_regions(case_id: str) -> dict: + path = DATA_ROOT / "annotations" / case_id / "state_region_FINAL.tsv" + common_core: list[int] = [] + switch_3a: list[int] = [] + state_a_resnum: dict[int, int] = {} + with path.open() as f: + for line in f: + if line.startswith("#"): + continue + line = line.rstrip("\n") + if not line: + continue + parts = line.split("\t") + if parts[0] == "residue_index_query": + continue + qi = int(parts[0]) + try: + resnum_a = int(parts[1]) + except ValueError: + resnum_a = qi + cc = int(parts[3]) + sr = int(parts[4]) + if cc: + common_core.append(qi) + if sr: + switch_3a.append(qi) + state_a_resnum[qi] = resnum_a + return {"common_core": common_core, "switch_3A": switch_3a, + "state_a_resnum": state_a_resnum} + + +def is_id_case(case_id: str) -> bool: + return case_id.startswith("SFB_ID_") + + +def read_ca_per_resid(pdb: Path, chain: str | None = None) -> dict[int, np.ndarray]: + s = PDBParser(QUIET=True).get_structure("x", str(pdb)) + m = next(iter(s)) + for c in m: + if chain is not None and c.id != chain: + continue + out: dict[int, np.ndarray] = {} + for r in c: + if r.id[0] != " ": + continue + if "CA" not in r: + continue + out[r.id[1]] = r["CA"].coord + if out: + return out + raise RuntimeError(f"no Cα in {pdb} chain={chain}") + + +def read_ca_bfactors(pdb: Path, chain: str | None = None) -> dict[int, float]: + s = PDBParser(QUIET=True).get_structure("x", str(pdb)) + m = next(iter(s)) + for c in m: + if chain is not None and c.id != chain: + continue + out: dict[int, float] = {} + for r in c: + if r.id[0] != " ": + continue + if "CA" not in r: + continue + out[r.id[1]] = float(r["CA"].bfactor) + if out: + return out + raise RuntimeError(f"no Cα B-factors in {pdb} chain={chain}") + + +def rmsd_on_residues(pred_ca: dict[int, np.ndarray], + ref_ca: dict[int, np.ndarray], + pred_to_ref: dict[int, int], + residues: list[int]) -> tuple[float, int]: + pairs = [(qi, pred_to_ref[qi]) for qi in residues + if qi in pred_ca and qi in pred_to_ref and pred_to_ref[qi] in ref_ca] + if len(pairs) < 3: + return float("nan"), len(pairs) + from Bio.PDB.Atom import Atom + pred_atoms = [Atom("CA", pred_ca[qi], 1.0, 1.0, " ", "CA", 1, "C") for qi, _ in pairs] + ref_atoms = [Atom("CA", ref_ca[ri], 1.0, 1.0, " ", "CA", 1, "C") for _, ri in pairs] + sup = Superimposer() + sup.set_atoms(ref_atoms, pred_atoms) + return float(sup.rms), len(pairs) + + +def tmalign(pdb_a: Path, pdb_b: Path) -> tuple[float, float, int]: + if not TMALIGN: + return float("nan"), float("nan"), 0 + try: + p = subprocess.run([TMALIGN, str(pdb_a), str(pdb_b)], + capture_output=True, text=True, timeout=120) + except Exception: + return float("nan"), float("nan"), 0 + t1 = t2 = float("nan"); aln = 0 + for line in p.stdout.splitlines(): + if line.startswith("TM-score=") and "normalized by length of Chain_1" in line: + try: t1 = float(line.split()[1]) + except: pass + elif line.startswith("TM-score=") and "normalized by length of Chain_2" in line: + try: t2 = float(line.split()[1]) + except: pass + elif line.startswith("Aligned length="): + parts = line.replace(",", " ").split() + for i, q in enumerate(parts): + if q == "length=": + try: aln = int(parts[i + 1]) + except: pass + return t1, t2, aln + + +def get_state_chain(case: dict, which: str) -> str: + """Get the chain id within state PDB. The structures/ files use the curated chain + from `case_definitions.py` build_v2 — they are usually chain A in the file. + Try chain A first; fall back to the chain id from cases.yaml.""" + return case[f"state_{which}_chain"] + + +def state_chain_in_file(pdb: Path) -> str | None: + """Return first chain id present in the PDB file (with Cα atoms).""" + s = PDBParser(QUIET=True).get_structure("x", str(pdb)) + m = next(iter(s)) + for c in m: + for r in c: + if r.id[0] == " " and "CA" in r: + return c.id + return None + + +def evaluate_pdb(pdb: Path, case_id: str) -> dict: + case = load_case(case_id) + regions = load_regions(case_id) + id_case = is_id_case(case_id) + + pred_ca = read_ca_per_resid(pdb, chain="A") + pred_plddt = read_ca_bfactors(pdb, chain="A") + # Pred residues are 1..L → match regions' residue_index_query directly (it's 1..L too) + mean_plddt_overall = float(np.mean(list(pred_plddt.values()))) + # core / switch pLDDT (None if region empty) + core_p = [pred_plddt[r] for r in regions["common_core"] if r in pred_plddt] + sw_p = [pred_plddt[r] for r in regions["switch_3A"] if r in pred_plddt] + mean_plddt_core = float(np.mean(core_p)) if core_p else float("nan") + mean_plddt_switch = float(np.mean(sw_p)) if sw_p else float("nan") + + result = { + "pdb": str(pdb), + "case_id": case_id, + "id_case": id_case, + "pred_len": len(pred_ca), + "mean_plddt_overall": mean_plddt_overall, + "mean_plddt_core": mean_plddt_core, + "mean_plddt_switch_3A": mean_plddt_switch, + "states": {}, + } + + # Build pred-resi → state_resi mapping (state_a_resnum comes from FINAL.tsv). + # state_b residue mapping = same query residue index (residue_index_query), + # because the state_b PDBs were curated to use the query residue numbering too + # (see build_v2 case definitions). We discover the actual chain id from the + # state PDB file directly. + pred_to_state_a = dict(regions["state_a_resnum"]) + + for which in ["a", "b"]: + pdb_state = DATA_ROOT / "structures" / case_id / f"state_{which}.pdb" + if not pdb_state.exists(): + continue + ch = state_chain_in_file(pdb_state) + ref_ca = read_ca_per_resid(pdb_state, chain=ch) + # Determine pred→ref residue map + if which == "a": + pred_to_ref = pred_to_state_a + else: + # state_b: curator built FINAL.tsv via residue-number intersection + # (default) or positional pairing (MPT53). Try numbering-intersection + # first: pred qi → state_a_resnum, expect those resnums to be present + # in state_b PDB. If <50% overlap, fall back to POSITIONAL pairing: + # qi=1 → state_b's 1st CA, qi=2 → 2nd, etc. + ref_keys = set(ref_ca.keys()) + num_overlap = sum(1 for rn in pred_to_state_a.values() if rn in ref_keys) + if pred_to_state_a and num_overlap >= 0.5 * len(pred_to_state_a): + pred_to_ref = pred_to_state_a + else: + ref_sorted = sorted(ref_ca.keys()) + pred_sorted = sorted(pred_ca.keys()) + pred_to_ref = {p: r for p, r in zip(pred_sorted, ref_sorted)} + + rms_core, n_core = rmsd_on_residues(pred_ca, ref_ca, pred_to_ref, + regions["common_core"]) + rms_sw, n_sw = rmsd_on_residues(pred_ca, ref_ca, pred_to_ref, + regions["switch_3A"]) + t1, t2, aln = tmalign(pdb, pdb_state) + + if id_case: + # IDP override: use the WHOLE query region as target (switch_3A = all residues) + rms_target = rms_sw if not np.isnan(rms_sw) else rms_core + hit = (not np.isnan(rms_target) and rms_target <= 3.0 + and mean_plddt_overall >= 70.0) + else: + # Standard §9.1 binding 3-condition + hit = (not np.isnan(rms_core) and rms_core <= 3.0 + and mean_plddt_overall >= 70.0 + and not np.isnan(mean_plddt_switch) + and mean_plddt_switch >= 70.0) + + result["states"][f"state_{which}"] = { + "rmsd_common_core_A": rms_core, + "rmsd_switch_3A": rms_sw, + "n_common_core_aligned": n_core, + "n_switch_3A_aligned": n_sw, + "tmalign_tm1": t1, + "tmalign_tm2": t2, + "tmalign_aligned_len": aln, + "hit_primary": hit, + } + + if id_case: + # ID cases: state_a == state_b, only emit state_a + break + + return result + + +def main(argv: list[str] | None = None) -> int: + ap = argparse.ArgumentParser() + ap.add_argument("--case", required=True) + ap.add_argument("--root", required=True, type=Path) + ap.add_argument("--out", type=Path, default=None) + args = ap.parse_args(argv) + + pdbs = sorted(args.root.rglob("*_unrelaxed_rank_*.pdb")) + if not pdbs: + print(f"ERROR: no PDBs under {args.root}", file=sys.stderr) + return 2 + out_tsv = args.out or args.root / "evals.tsv" + sample = evaluate_pdb(pdbs[0], args.case) + state_keys = list(sample["states"].keys()) + cols = ["subset_id", "model", "seed", "rank", + "mean_plddt_overall", "mean_plddt_core", "mean_plddt_switch_3A"] + for sk in state_keys: + for m in ("rmsd_common_core_A", "rmsd_switch_3A", + "tmalign_tm1", "tmalign_tm2", "hit_primary"): + cols.append(f"{sk}__{m}") + cols.append("pdb") + + with out_tsv.open("w") as out: + out.write("\t".join(cols) + "\n") + for pdb in pdbs: + m = PRED_NAME_RE.match(pdb.name) + sid = m.group("subset") if m else pdb.stem + rank = int(m.group("rank")) if m else -1 + model = int(m.group("model")) if m else -1 + seed = int(m.group("seed")) if m else -1 + try: + r = evaluate_pdb(pdb, args.case) + except Exception as e: + print(f"WARN: eval failed {pdb}: {e}", file=sys.stderr) + continue + (pdb.with_name(pdb.stem + "_eval.json")).write_text( + json.dumps(r, indent=2, default=float)) + row = [sid, model, seed, rank, + f"{r['mean_plddt_overall']:.2f}", + f"{r['mean_plddt_core']:.2f}" if r['mean_plddt_core'] == r['mean_plddt_core'] else "NA", + f"{r['mean_plddt_switch_3A']:.2f}" if r['mean_plddt_switch_3A'] == r['mean_plddt_switch_3A'] else "NA"] + for sk in state_keys: + sv = r["states"].get(sk, {}) + for k in ("rmsd_common_core_A", "rmsd_switch_3A", + "tmalign_tm1", "tmalign_tm2", "hit_primary"): + v = sv.get(k) + if v is None or (isinstance(v, float) and v != v): + row.append("NA") + elif isinstance(v, bool): + row.append("1" if v else "0") + elif isinstance(v, float): + row.append(f"{v:.4f}") + else: + row.append(str(v)) + row.append(str(pdb)) + out.write("\t".join(str(x) for x in row) + "\n") + print(f"wrote {len(pdbs)} preds -> {out_tsv}") + return 0 + + +if __name__ == "__main__": + sys.exit(main())